NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
20982 | 2gut | 7185 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H GLY 2 HT1 GLY 2 1.811 -0.001 0.854 2 1HA GLY 2 1HA GLY 2 2.007 0.983 -1.691 3 2HA GLY 2 2HA GLY 2 3.108 -0.220 -1.037 4 H ALA 3 H ALA 3 2.945 -2.334 -1.680 5 HA ALA 3 HA ALA 3 0.693 -3.311 -3.160 6 1HB ALA 3 1HB ALA 3 1.937 -1.896 -4.831 7 2HB ALA 3 2HB ALA 3 3.262 -3.054 -4.705 8 3HB ALA 3 3HB ALA 3 1.685 -3.579 -5.295 9 H MET 4 H MET 4 4.171 -3.783 -2.568 10 HA MET 4 HA MET 4 3.648 -6.387 -1.433 11 1HB MET 4 1HB MET 4 4.516 -6.109 -4.173 12 2HB MET 4 2HB MET 4 5.739 -6.943 -3.224 13 1HG MET 4 1HG MET 4 4.481 -8.782 -2.973 14 2HG MET 4 2HG MET 4 2.987 -7.865 -2.794 15 1HE MET 4 1HE MET 4 2.540 -10.586 -5.093 16 2HE MET 4 2HE MET 4 4.125 -10.519 -5.863 17 3HE MET 4 3HE MET 4 3.997 -10.482 -4.103 18 H GLY 5 H GLY 5 5.517 -7.299 -0.366 19 1HA GLY 5 1HA GLY 5 7.413 -5.193 0.427 20 2HA GLY 5 2HA GLY 5 7.004 -6.611 1.381 21 H GLN 6 H GLN 6 7.393 -8.693 -0.251 22 HA GLN 6 HA GLN 6 10.198 -8.963 -0.298 23 1HB GLN 6 1HB GLN 6 8.192 -10.684 -1.759 24 2HB GLN 6 2HB GLN 6 9.816 -11.140 -1.264 25 1HG GLN 6 1HG GLN 6 8.824 -10.491 1.123 26 2HG GLN 6 2HG GLN 6 7.328 -10.957 0.316 27 1HE2 GLN 6 1HE2 GLN 6 9.321 -12.130 2.406 28 2HE2 GLN 6 2HE2 GLN 6 9.433 -13.785 1.927 29 H GLU 7 H GLU 7 11.060 -10.103 -2.521 30 HA GLU 7 HA GLU 7 10.287 -8.689 -4.897 31 1HB GLU 7 1HB GLU 7 11.952 -7.258 -3.318 32 2HB GLU 7 2HB GLU 7 13.127 -8.171 -4.253 33 1HG GLU 7 1HG GLU 7 12.594 -7.132 -6.209 34 2HG GLU 7 2HG GLU 7 10.932 -6.815 -5.717 35 H THR 8 H THR 8 10.724 -11.434 -3.893 36 HA THR 8 HA THR 8 12.664 -12.310 -5.932 37 HB THR 8 HB THR 8 12.100 -13.918 -3.454 38 HG1 THR 8 HG1 THR 8 13.990 -11.823 -3.814 39 1HG2 THR 8 1HG2 THR 8 13.579 -14.356 -5.802 40 2HG2 THR 8 2HG2 THR 8 13.563 -15.346 -4.343 41 3HG2 THR 8 3HG2 THR 8 14.762 -14.067 -4.528 42 H ASP 9 H ASP 9 9.884 -11.909 -6.363 43 HA ASP 9 HA ASP 9 9.178 -14.581 -7.248 44 1HB ASP 9 1HB ASP 9 7.174 -13.003 -5.634 45 2HB ASP 9 2HB ASP 9 7.027 -14.658 -6.217 46 H TRP 10 H TRP 10 9.912 -12.969 -9.058 47 HA TRP 10 HA TRP 10 7.983 -11.066 -9.955 48 1HB TRP 10 1HB TRP 10 9.390 -10.756 -11.846 49 2HB TRP 10 2HB TRP 10 10.466 -11.057 -10.484 50 HD1 TRP 10 HD1 TRP 10 11.074 -13.908 -10.301 51 HE1 TRP 10 HE1 TRP 10 11.924 -15.370 -12.241 52 HE3 TRP 10 HE3 TRP 10 9.500 -11.039 -14.229 53 HZ2 TRP 10 HZ2 TRP 10 11.928 -15.314 -15.063 54 HZ3 TRP 10 HZ3 TRP 10 9.968 -11.814 -16.517 55 HH2 TRP 10 HH2 TRP 10 11.157 -13.907 -16.923 56 H ARG 11 H ARG 11 8.017 -14.404 -9.982 57 HA ARG 11 HA ARG 11 6.656 -14.758 -12.511 58 1HB ARG 11 1HB ARG 11 7.838 -16.487 -10.461 59 2HB ARG 11 2HB ARG 11 6.339 -17.116 -11.132 60 1HG ARG 11 1HG ARG 11 7.224 -17.157 -13.322 61 2HG ARG 11 2HG ARG 11 8.626 -16.195 -12.847 62 1HD ARG 11 1HD ARG 11 9.637 -18.209 -12.750 63 2HD ARG 11 2HD ARG 11 8.885 -18.274 -11.157 64 HE ARG 11 HE ARG 11 7.009 -19.320 -12.839 65 1HH1 ARG 11 1HH1 ARG 11 10.340 -20.031 -12.120 66 2HH1 ARG 11 2HH1 ARG 11 10.188 -21.723 -12.459 67 1HH2 ARG 11 1HH2 ARG 11 6.796 -21.546 -13.287 68 2HH2 ARG 11 2HH2 ARG 11 8.172 -22.584 -13.123 69 H SER 12 H SER 12 5.695 -13.458 -9.716 70 HA SER 12 HA SER 12 3.229 -14.836 -9.248 71 1HB SER 12 1HB SER 12 3.790 -13.756 -7.317 72 2HB SER 12 2HB SER 12 4.591 -12.434 -8.166 73 HG SER 12 HG SER 12 1.868 -12.777 -7.563 74 H THR 13 H THR 13 1.147 -14.203 -9.781 75 HA THR 13 HA THR 13 0.735 -13.116 -12.314 76 HB THR 13 HB THR 13 -1.397 -13.001 -10.201 77 HG1 THR 13 HG1 THR 13 -1.226 -15.084 -9.931 78 1HG2 THR 13 1HG2 THR 13 -2.077 -12.196 -12.345 79 2HG2 THR 13 2HG2 THR 13 -2.776 -13.802 -12.144 80 3HG2 THR 13 3HG2 THR 13 -1.352 -13.581 -13.160 81 H ALA 14 H ALA 14 0.278 -11.613 -9.122 82 HA ALA 14 HA ALA 14 -0.683 -9.146 -9.925 83 1HB ALA 14 1HB ALA 14 -0.432 -8.531 -7.773 84 2HB ALA 14 2HB ALA 14 -0.070 -10.242 -7.540 85 3HB ALA 14 3HB ALA 14 1.244 -9.077 -7.700 86 H PHE 15 H PHE 15 2.644 -10.307 -9.791 87 HA PHE 15 HA PHE 15 3.912 -7.841 -10.290 88 1HB PHE 15 1HB PHE 15 4.865 -10.196 -9.567 89 2HB PHE 15 2HB PHE 15 5.093 -10.394 -11.302 90 HD1 PHE 15 HD1 PHE 15 6.572 -9.281 -8.342 91 HD2 PHE 15 HD2 PHE 15 6.268 -8.342 -12.483 92 HE1 PHE 15 HE1 PHE 15 8.674 -8.008 -8.205 93 HE2 PHE 15 HE2 PHE 15 8.370 -7.069 -12.352 94 HZ PHE 15 HZ PHE 15 9.576 -6.901 -10.211 95 H ARG 16 H ARG 16 3.622 -10.560 -12.580 96 HA ARG 16 HA ARG 16 4.254 -9.129 -14.869 97 1HB ARG 16 1HB ARG 16 4.063 -11.636 -14.633 98 2HB ARG 16 2HB ARG 16 2.321 -11.445 -14.772 99 1HG ARG 16 1HG ARG 16 2.790 -10.270 -16.981 100 2HG ARG 16 2HG ARG 16 4.427 -10.913 -16.838 101 1HD ARG 16 1HD ARG 16 3.371 -12.541 -18.094 102 2HD ARG 16 2HD ARG 16 3.228 -13.182 -16.458 103 HE ARG 16 HE ARG 16 0.938 -11.790 -16.758 104 1HH1 ARG 16 1HH1 ARG 16 2.517 -14.207 -18.703 105 2HH1 ARG 16 2HH1 ARG 16 1.039 -14.839 -19.351 106 1HH2 ARG 16 1HH2 ARG 16 -1.015 -12.613 -17.603 107 2HH2 ARG 16 2HH2 ARG 16 -0.969 -13.930 -18.725 108 H GLN 17 H GLN 17 1.130 -9.592 -13.298 109 HA GLN 17 HA GLN 17 -0.540 -8.563 -15.267 110 1HB GLN 17 1HB GLN 17 -1.355 -9.674 -13.232 111 2HB GLN 17 2HB GLN 17 -0.824 -8.301 -12.269 112 1HG GLN 17 1HG GLN 17 -2.779 -7.943 -14.503 113 2HG GLN 17 2HG GLN 17 -3.304 -8.488 -12.911 114 1HE2 GLN 17 1HE2 GLN 17 -2.137 -7.087 -11.115 115 2HE2 GLN 17 2HE2 GLN 17 -2.324 -5.384 -11.334 116 H LYS 18 H LYS 18 0.689 -6.785 -12.426 117 HA LYS 18 HA LYS 18 -0.152 -4.259 -13.144 118 1HB LYS 18 1HB LYS 18 1.995 -5.342 -11.416 119 2HB LYS 18 2HB LYS 18 2.169 -3.660 -11.897 120 1HG LYS 18 1HG LYS 18 0.238 -3.009 -10.793 121 2HG LYS 18 2HG LYS 18 -0.411 -4.650 -10.755 122 1HD LYS 18 1HD LYS 18 0.287 -4.535 -8.599 123 2HD LYS 18 2HD LYS 18 1.815 -5.040 -9.324 124 1HE LYS 18 1HE LYS 18 1.786 -2.267 -9.574 125 2HE LYS 18 2HE LYS 18 1.135 -2.578 -7.966 126 1HZ LYS 18 1HZ LYS 18 3.772 -3.350 -9.057 127 2HZ LYS 18 2HZ LYS 18 3.127 -4.107 -7.689 128 3HZ LYS 18 3HZ LYS 18 3.430 -2.443 -7.670 129 H LEU 19 H LEU 19 2.940 -5.823 -13.941 130 HA LEU 19 HA LEU 19 4.069 -3.693 -15.359 131 1HB LEU 19 1HB LEU 19 4.465 -6.651 -15.363 132 2HB LEU 19 2HB LEU 19 5.260 -5.672 -16.594 133 HG LEU 19 HG LEU 19 6.403 -6.323 -14.262 134 1HD1 LEU 19 1HD1 LEU 19 7.907 -4.413 -14.620 135 2HD1 LEU 19 2HD1 LEU 19 6.736 -3.716 -15.739 136 3HD1 LEU 19 3HD1 LEU 19 7.519 -5.248 -16.124 137 1HD2 LEU 19 1HD2 LEU 19 5.199 -3.608 -13.743 138 2HD2 LEU 19 2HD2 LEU 19 6.294 -4.508 -12.692 139 3HD2 LEU 19 3HD2 LEU 19 4.659 -5.104 -12.981 140 H VAL 20 H VAL 20 1.981 -6.337 -16.436 141 HA VAL 20 HA VAL 20 2.087 -5.884 -19.184 142 HB VAL 20 HB VAL 20 -0.031 -7.051 -17.406 143 1HG1 VAL 20 1HG1 VAL 20 -0.291 -6.208 -20.232 144 2HG1 VAL 20 2HG1 VAL 20 -0.938 -7.793 -19.803 145 3HG1 VAL 20 3HG1 VAL 20 -1.516 -6.348 -18.972 146 1HG2 VAL 20 1HG2 VAL 20 2.248 -8.013 -18.864 147 2HG2 VAL 20 2HG2 VAL 20 1.212 -8.868 -17.720 148 3HG2 VAL 20 3HG2 VAL 20 0.782 -8.815 -19.429 149 H SER 21 H SER 21 0.060 -4.401 -16.700 150 HA SER 21 HA SER 21 -1.612 -2.946 -18.446 151 1HB SER 21 1HB SER 21 -2.292 -3.271 -16.158 152 2HB SER 21 2HB SER 21 -0.842 -2.463 -15.561 153 HG SER 21 HG SER 21 -3.104 -1.332 -15.960 154 H GLN 22 H GLN 22 1.441 -2.150 -16.852 155 HA GLN 22 HA GLN 22 1.573 0.554 -17.543 156 1HB GLN 22 1HB GLN 22 3.865 -1.394 -17.237 157 2HB GLN 22 2HB GLN 22 3.987 0.360 -17.174 158 1HG GLN 22 1HG GLN 22 2.807 -1.525 -15.183 159 2HG GLN 22 2HG GLN 22 4.001 -0.250 -14.948 160 1HE2 GLN 22 1HE2 GLN 22 3.262 1.957 -15.071 161 2HE2 GLN 22 2HE2 GLN 22 1.639 2.341 -14.621 162 H ILE 23 H ILE 23 2.910 -2.278 -19.235 163 HA ILE 23 HA ILE 23 4.005 -0.878 -21.405 164 HB ILE 23 HB ILE 23 2.993 -3.718 -21.256 165 1HG1 ILE 23 1HG1 ILE 23 5.856 -3.327 -21.494 166 2HG1 ILE 23 2HG1 ILE 23 5.216 -2.479 -20.090 167 1HG2 ILE 23 1HG2 ILE 23 3.933 -2.156 -23.510 168 2HG2 ILE 23 2HG2 ILE 23 4.920 -3.590 -23.236 169 3HG2 ILE 23 3HG2 ILE 23 3.180 -3.750 -23.476 170 1HD1 ILE 23 1HD1 ILE 23 5.674 -4.505 -19.167 171 2HD1 ILE 23 2HD1 ILE 23 4.009 -4.781 -19.682 172 3HD1 ILE 23 3HD1 ILE 23 5.346 -5.385 -20.660 173 H GLU 24 H GLU 24 0.770 -2.116 -20.816 174 HA GLU 24 HA GLU 24 -0.183 -1.689 -23.471 175 1HB GLU 24 1HB GLU 24 -1.129 -3.023 -21.267 176 2HB GLU 24 2HB GLU 24 -2.185 -1.619 -21.326 177 1HG GLU 24 1HG GLU 24 -1.887 -2.737 -23.950 178 2HG GLU 24 2HG GLU 24 -2.388 -3.982 -22.807 179 H ASP 25 H ASP 25 -0.051 0.230 -20.543 180 HA ASP 25 HA ASP 25 -1.797 2.293 -21.450 181 1HB ASP 25 1HB ASP 25 -1.111 1.746 -19.033 182 2HB ASP 25 2HB ASP 25 0.361 2.651 -19.379 183 H ALA 26 H ALA 26 1.740 1.983 -21.277 184 HA ALA 26 HA ALA 26 2.376 4.501 -22.321 185 1HB ALA 26 1HB ALA 26 4.217 3.519 -21.409 186 2HB ALA 26 2HB ALA 26 3.811 1.919 -22.032 187 3HB ALA 26 3HB ALA 26 4.504 3.134 -23.106 188 H MET 27 H MET 27 1.870 1.388 -23.946 189 HA MET 27 HA MET 27 2.528 2.228 -26.541 190 1HB MET 27 1HB MET 27 1.564 -0.126 -25.315 191 2HB MET 27 2HB MET 27 0.432 0.261 -26.603 192 1HG MET 27 1HG MET 27 2.755 0.612 -27.907 193 2HG MET 27 2HG MET 27 3.236 -0.618 -26.741 194 1HE MET 27 1HE MET 27 1.539 -3.693 -27.500 195 2HE MET 27 2HE MET 27 1.951 -2.562 -26.211 196 3HE MET 27 3HE MET 27 0.283 -2.692 -26.772 197 H ARG 28 H ARG 28 -0.601 2.111 -24.864 198 HA ARG 28 HA ARG 28 -2.267 2.898 -26.918 199 1HB ARG 28 1HB ARG 28 -3.237 2.225 -24.852 200 2HB ARG 28 2HB ARG 28 -2.380 3.476 -23.962 201 1HG ARG 28 1HG ARG 28 -3.977 4.977 -24.339 202 2HG ARG 28 2HG ARG 28 -4.072 4.567 -26.053 203 1HD ARG 28 1HD ARG 28 -5.536 2.729 -25.600 204 2HD ARG 28 2HD ARG 28 -5.304 2.909 -23.861 205 HE ARG 28 HE ARG 28 -6.323 5.313 -24.780 206 1HH1 ARG 28 1HH1 ARG 28 -7.326 1.983 -24.630 207 2HH1 ARG 28 2HH1 ARG 28 -9.013 2.360 -24.522 208 1HH2 ARG 28 1HH2 ARG 28 -8.542 5.822 -24.640 209 2HH2 ARG 28 2HH2 ARG 28 -9.704 4.544 -24.529 210 H LYS 29 H LYS 29 -0.720 5.045 -24.525 211 HA LYS 29 HA LYS 29 -1.499 7.428 -25.867 212 1HB LYS 29 1HB LYS 29 0.135 6.712 -23.521 213 2HB LYS 29 2HB LYS 29 0.612 8.201 -24.327 214 1HG LYS 29 1HG LYS 29 -1.721 9.005 -24.121 215 2HG LYS 29 2HG LYS 29 -2.103 7.548 -23.201 216 1HD LYS 29 1HD LYS 29 0.126 8.508 -21.916 217 2HD LYS 29 2HD LYS 29 -0.722 9.986 -22.373 218 1HE LYS 29 1HE LYS 29 -2.135 7.696 -21.039 219 2HE LYS 29 2HE LYS 29 -1.288 8.931 -20.108 220 1HZ LYS 29 1HZ LYS 29 -3.855 9.051 -21.236 221 2HZ LYS 29 2HZ LYS 29 -2.897 10.231 -21.979 222 3HZ LYS 29 3HZ LYS 29 -3.065 10.214 -20.295 223 H ALA 30 H ALA 30 1.129 5.226 -26.230 224 HA ALA 30 HA ALA 30 2.968 6.997 -27.484 225 1HB ALA 30 1HB ALA 30 4.103 4.925 -28.220 226 2HB ALA 30 2HB ALA 30 3.759 4.952 -26.490 227 3HB ALA 30 3HB ALA 30 2.752 3.992 -27.575 228 H GLY 31 H GLY 31 0.182 5.248 -28.569 229 1HA GLY 31 1HA GLY 31 -0.907 5.227 -30.591 230 2HA GLY 31 2HA GLY 31 0.071 6.619 -31.032 231 H VAL 32 H VAL 32 0.143 3.082 -30.809 232 HA VAL 32 HA VAL 32 1.794 3.047 -33.235 233 HB VAL 32 HB VAL 32 3.121 1.165 -32.328 234 1HG1 VAL 32 1HG1 VAL 32 3.362 3.910 -31.746 235 2HG1 VAL 32 2HG1 VAL 32 3.840 3.036 -30.289 236 3HG1 VAL 32 3HG1 VAL 32 4.643 2.700 -31.823 237 1HG2 VAL 32 1HG2 VAL 32 2.843 0.277 -30.267 238 2HG2 VAL 32 2HG2 VAL 32 2.389 1.820 -29.543 239 3HG2 VAL 32 3HG2 VAL 32 1.203 0.895 -30.464 240 H ALA 33 H ALA 33 1.954 0.661 -34.035 241 HA ALA 33 HA ALA 33 -0.035 -1.208 -33.408 242 1HB ALA 33 1HB ALA 33 -1.700 0.269 -34.174 243 2HB ALA 33 2HB ALA 33 -0.755 0.727 -35.591 244 3HB ALA 33 3HB ALA 33 -1.458 -0.887 -35.484 245 H HIS 34 H HIS 34 0.853 -3.044 -34.064 246 HA HIS 34 HA HIS 34 1.555 -3.638 -36.705 247 1HB HIS 34 1HB HIS 34 3.511 -2.080 -35.543 248 2HB HIS 34 2HB HIS 34 4.118 -3.714 -35.293 249 HD1 HIS 34 HD1 HIS 34 4.212 -5.203 -37.590 250 HD2 HIS 34 HD2 HIS 34 4.042 -1.073 -38.003 251 HE1 HIS 34 HE1 HIS 34 4.994 -4.729 -39.933 252 H SER 35 H SER 35 3.048 -4.383 -33.549 253 HA SER 35 HA SER 35 3.232 -7.143 -33.982 254 1HB SER 35 1HB SER 35 3.128 -5.536 -31.425 255 2HB SER 35 2HB SER 35 3.443 -7.270 -31.464 256 HG SER 35 HG SER 35 5.339 -5.855 -31.466 257 H LYS 36 H LYS 36 2.121 -8.579 -32.065 258 HA LYS 36 HA LYS 36 -0.567 -8.877 -32.895 259 1HB LYS 36 1HB LYS 36 1.213 -10.538 -31.757 260 2HB LYS 36 2HB LYS 36 0.287 -10.097 -30.328 261 1HG LYS 36 1HG LYS 36 -1.760 -10.855 -31.398 262 2HG LYS 36 2HG LYS 36 -0.857 -11.259 -32.860 263 1HD LYS 36 1HD LYS 36 0.421 -12.508 -30.647 264 2HD LYS 36 2HD LYS 36 -1.306 -12.859 -30.557 265 1HE LYS 36 1HE LYS 36 -1.306 -14.043 -32.509 266 2HE LYS 36 2HE LYS 36 0.020 -13.110 -33.202 267 1HZ LYS 36 1HZ LYS 36 0.101 -15.477 -31.506 268 2HZ LYS 36 2HZ LYS 36 1.297 -14.314 -31.229 269 3HZ LYS 36 3HZ LYS 36 1.133 -15.009 -32.762 270 H SER 37 H SER 37 0.598 -8.294 -29.575 271 HA SER 37 HA SER 37 -1.028 -6.040 -29.108 272 1HB SER 37 1HB SER 37 -2.914 -7.531 -29.227 273 2HB SER 37 2HB SER 37 -2.132 -8.690 -28.152 274 HG SER 37 HG SER 37 -3.696 -7.352 -27.093 275 H SER 38 H SER 38 -1.103 -5.465 -26.762 276 HA SER 38 HA SER 38 1.400 -5.517 -25.610 277 1HB SER 38 1HB SER 38 -1.066 -4.379 -24.986 278 2HB SER 38 2HB SER 38 -0.678 -5.369 -23.580 279 HG SER 38 HG SER 38 1.334 -3.758 -24.658 280 H LYS 39 H LYS 39 -1.417 -7.466 -24.620 281 HA LYS 39 HA LYS 39 -0.275 -8.964 -22.627 282 1HB LYS 39 1HB LYS 39 -2.624 -9.096 -24.209 283 2HB LYS 39 2HB LYS 39 -1.912 -10.704 -24.207 284 1HG LYS 39 1HG LYS 39 -2.247 -11.004 -21.973 285 2HG LYS 39 2HG LYS 39 -2.148 -9.279 -21.613 286 1HD LYS 39 1HD LYS 39 -4.370 -9.331 -23.148 287 2HD LYS 39 2HD LYS 39 -4.464 -10.928 -22.400 288 1HE LYS 39 1HE LYS 39 -4.010 -8.409 -20.818 289 2HE LYS 39 2HE LYS 39 -5.620 -9.032 -21.176 290 1HZ LYS 39 1HZ LYS 39 -4.293 -9.689 -18.997 291 2HZ LYS 39 2HZ LYS 39 -3.709 -10.904 -20.018 292 3HZ LYS 39 3HZ LYS 39 -5.372 -10.752 -19.751 293 H ASP 40 H ASP 40 -0.111 -9.527 -26.115 294 HA ASP 40 HA ASP 40 1.351 -11.969 -25.894 295 1HB ASP 40 1HB ASP 40 0.310 -10.279 -28.034 296 2HB ASP 40 2HB ASP 40 1.882 -10.973 -28.424 297 H MET 41 H MET 41 2.208 -8.582 -26.284 298 HA MET 41 HA MET 41 4.940 -8.968 -26.886 299 1HB MET 41 1HB MET 41 3.208 -6.718 -26.109 300 2HB MET 41 2HB MET 41 4.892 -6.542 -25.635 301 1HG MET 41 1HG MET 41 5.300 -5.797 -27.675 302 2HG MET 41 2HG MET 41 4.997 -7.431 -28.261 303 1HE MET 41 1HE MET 41 4.630 -4.386 -29.574 304 2HE MET 41 2HE MET 41 2.947 -3.881 -29.728 305 3HE MET 41 3HE MET 41 3.768 -3.750 -28.173 306 H GLU 42 H GLU 42 3.239 -8.384 -23.823 307 HA GLU 42 HA GLU 42 5.548 -8.350 -22.199 308 1HB GLU 42 1HB GLU 42 2.663 -8.962 -21.550 309 2HB GLU 42 2HB GLU 42 3.924 -8.818 -20.333 310 1HG GLU 42 1HG GLU 42 3.501 -6.652 -20.247 311 2HG GLU 42 2HG GLU 42 4.138 -6.511 -21.884 312 H SER 43 H SER 43 3.314 -10.938 -23.115 313 HA SER 43 HA SER 43 4.305 -12.962 -21.480 314 1HB SER 43 1HB SER 43 3.215 -14.511 -22.953 315 2HB SER 43 2HB SER 43 2.223 -13.054 -22.904 316 HG SER 43 HG SER 43 2.700 -14.011 -25.045 317 H HIS 44 H HIS 44 5.347 -11.933 -24.703 318 HA HIS 44 HA HIS 44 7.269 -13.955 -25.101 319 1HB HIS 44 1HB HIS 44 6.392 -12.525 -26.915 320 2HB HIS 44 2HB HIS 44 7.236 -11.144 -26.222 321 HD1 HIS 44 HD1 HIS 44 9.062 -10.655 -27.825 322 HD2 HIS 44 HD2 HIS 44 8.740 -14.719 -27.026 323 HE1 HIS 44 HE1 HIS 44 10.997 -11.730 -29.019 324 H VAL 45 H VAL 45 7.554 -10.660 -23.807 325 HA VAL 45 HA VAL 45 10.304 -10.569 -23.443 326 HB VAL 45 HB VAL 45 8.267 -9.356 -21.574 327 1HG1 VAL 45 1HG1 VAL 45 11.004 -9.393 -21.389 328 2HG1 VAL 45 2HG1 VAL 45 10.690 -7.861 -22.206 329 3HG1 VAL 45 3HG1 VAL 45 9.940 -8.199 -20.645 330 1HG2 VAL 45 1HG2 VAL 45 8.680 -8.892 -24.361 331 2HG2 VAL 45 2HG2 VAL 45 7.552 -8.100 -23.261 332 3HG2 VAL 45 3HG2 VAL 45 9.186 -7.465 -23.456 333 H PHE 46 H PHE 46 7.797 -11.824 -21.274 334 HA PHE 46 HA PHE 46 9.451 -12.418 -19.093 335 1HB PHE 46 1HB PHE 46 6.867 -12.438 -19.273 336 2HB PHE 46 2HB PHE 46 7.068 -14.100 -19.818 337 HD1 PHE 46 HD1 PHE 46 8.371 -15.688 -18.292 338 HD2 PHE 46 HD2 PHE 46 6.813 -11.941 -17.008 339 HE1 PHE 46 HE1 PHE 46 8.494 -16.442 -15.954 340 HE2 PHE 46 HE2 PHE 46 6.934 -12.689 -14.667 341 HZ PHE 46 HZ PHE 46 7.776 -14.942 -14.137 342 H LEU 47 H LEU 47 8.156 -14.710 -21.503 343 HA LEU 47 HA LEU 47 9.725 -16.886 -20.755 344 1HB LEU 47 1HB LEU 47 8.365 -16.116 -23.308 345 2HB LEU 47 2HB LEU 47 9.350 -17.574 -23.223 346 HG LEU 47 HG LEU 47 7.220 -17.232 -21.181 347 1HD1 LEU 47 1HD1 LEU 47 6.537 -16.778 -23.787 348 2HD1 LEU 47 2HD1 LEU 47 5.456 -17.404 -22.543 349 3HD1 LEU 47 3HD1 LEU 47 6.284 -18.517 -23.632 350 1HD2 LEU 47 1HD2 LEU 47 7.054 -19.751 -22.030 351 2HD2 LEU 47 2HD2 LEU 47 8.242 -19.229 -20.836 352 3HD2 LEU 47 3HD2 LEU 47 8.712 -19.409 -22.527 353 H LYS 48 H LYS 48 10.535 -14.068 -22.571 354 HA LYS 48 HA LYS 48 12.921 -15.219 -23.739 355 1HB LYS 48 1HB LYS 48 11.647 -13.504 -24.957 356 2HB LYS 48 2HB LYS 48 11.954 -12.354 -23.662 357 1HG LYS 48 1HG LYS 48 14.147 -12.060 -24.252 358 2HG LYS 48 2HG LYS 48 14.270 -13.651 -25.009 359 1HD LYS 48 1HD LYS 48 13.120 -12.934 -26.937 360 2HD LYS 48 2HD LYS 48 12.547 -11.464 -26.146 361 1HE LYS 48 1HE LYS 48 14.550 -10.387 -26.395 362 2HE LYS 48 2HE LYS 48 15.482 -11.884 -26.370 363 1HZ LYS 48 1HZ LYS 48 14.898 -12.341 -28.594 364 2HZ LYS 48 2HZ LYS 48 15.361 -10.714 -28.567 365 3HZ LYS 48 3HZ LYS 48 13.722 -11.125 -28.630 366 H ALA 49 H ALA 49 12.022 -13.532 -20.870 367 HA ALA 49 HA ALA 49 14.705 -12.654 -20.242 368 1HB ALA 49 1HB ALA 49 13.634 -11.247 -18.905 369 2HB ALA 49 2HB ALA 49 12.104 -11.998 -19.361 370 3HB ALA 49 3HB ALA 49 12.996 -12.593 -17.961 371 H LYS 50 H LYS 50 15.865 -13.350 -18.344 372 HA LYS 50 HA LYS 50 15.446 -16.208 -17.795 373 1HB LYS 50 1HB LYS 50 17.817 -14.531 -18.200 374 2HB LYS 50 2HB LYS 50 17.940 -15.600 -16.809 375 1HG LYS 50 1HG LYS 50 18.321 -17.353 -18.107 376 2HG LYS 50 2HG LYS 50 16.886 -17.018 -19.078 377 1HD LYS 50 1HD LYS 50 18.631 -16.881 -20.617 378 2HD LYS 50 2HD LYS 50 18.326 -15.195 -20.190 379 1HE LYS 50 1HE LYS 50 20.180 -16.089 -18.313 380 2HE LYS 50 2HE LYS 50 20.713 -16.788 -19.842 381 1HZ LYS 50 1HZ LYS 50 20.543 -13.981 -19.040 382 2HZ LYS 50 2HZ LYS 50 20.243 -14.349 -20.663 383 3HZ LYS 50 3HZ LYS 50 21.722 -14.772 -19.959 384 H THR 51 H THR 51 15.577 -13.070 -16.352 385 HA THR 51 HA THR 51 14.733 -14.201 -13.809 386 HB THR 51 HB THR 51 16.348 -12.953 -12.480 387 HG1 THR 51 HG1 THR 51 18.178 -12.019 -13.689 388 1HG2 THR 51 1HG2 THR 51 18.362 -14.241 -12.994 389 2HG2 THR 51 2HG2 THR 51 17.713 -14.635 -14.586 390 3HG2 THR 51 3HG2 THR 51 16.920 -15.247 -13.135 391 H ARG 52 H ARG 52 14.236 -12.338 -12.224 392 HA ARG 52 HA ARG 52 12.250 -10.729 -13.308 393 1HB ARG 52 1HB ARG 52 12.232 -9.556 -11.170 394 2HB ARG 52 2HB ARG 52 12.401 -11.288 -10.920 395 1HG ARG 52 1HG ARG 52 15.000 -10.512 -10.999 396 2HG ARG 52 2HG ARG 52 14.234 -9.100 -10.270 397 1HD ARG 52 1HD ARG 52 13.057 -10.809 -8.739 398 2HD ARG 52 2HD ARG 52 14.305 -11.929 -9.284 399 HE ARG 52 HE ARG 52 15.315 -9.421 -8.289 400 1HH1 ARG 52 1HH1 ARG 52 14.356 -12.669 -7.482 401 2HH1 ARG 52 2HH1 ARG 52 15.311 -12.731 -6.038 402 1HH2 ARG 52 1HH2 ARG 52 16.577 -9.491 -6.391 403 2HH2 ARG 52 2HH2 ARG 52 16.574 -10.922 -5.418 404 H ASP 53 H ASP 53 15.666 -10.211 -13.102 405 HA ASP 53 HA ASP 53 15.592 -7.375 -13.480 406 1HB ASP 53 1HB ASP 53 17.541 -8.265 -12.438 407 2HB ASP 53 2HB ASP 53 17.788 -9.428 -13.737 408 H GLU 54 H GLU 54 16.362 -10.121 -15.614 409 HA GLU 54 HA GLU 54 16.860 -8.741 -17.951 410 1HB GLU 54 1HB GLU 54 17.062 -11.239 -17.527 411 2HB GLU 54 2HB GLU 54 15.337 -11.342 -17.853 412 1HG GLU 54 1HG GLU 54 15.587 -10.881 -20.085 413 2HG GLU 54 2HG GLU 54 17.108 -10.022 -19.848 414 H TYR 55 H TYR 55 13.727 -9.941 -16.770 415 HA TYR 55 HA TYR 55 12.197 -8.977 -18.927 416 1HB TYR 55 1HB TYR 55 11.238 -10.642 -17.513 417 2HB TYR 55 2HB TYR 55 11.468 -9.651 -16.076 418 HD1 TYR 55 HD1 TYR 55 9.543 -9.909 -19.235 419 HD2 TYR 55 HD2 TYR 55 9.813 -8.120 -15.384 420 HE1 TYR 55 HE1 TYR 55 7.269 -9.011 -19.500 421 HE2 TYR 55 HE2 TYR 55 7.539 -7.218 -15.637 422 HH TYR 55 HH TYR 55 5.931 -7.083 -18.562 423 H LEU 56 H LEU 56 12.475 -7.653 -15.623 424 HA LEU 56 HA LEU 56 11.080 -5.309 -15.994 425 1HB LEU 56 1HB LEU 56 13.318 -6.115 -14.204 426 2HB LEU 56 2HB LEU 56 12.854 -4.415 -14.258 427 HG LEU 56 HG LEU 56 10.731 -6.449 -13.781 428 1HD1 LEU 56 1HD1 LEU 56 13.017 -5.916 -11.999 429 2HD1 LEU 56 2HD1 LEU 56 11.951 -7.318 -12.097 430 3HD1 LEU 56 3HD1 LEU 56 11.420 -5.864 -11.252 431 1HD2 LEU 56 1HD2 LEU 56 10.502 -4.285 -12.057 432 2HD2 LEU 56 2HD2 LEU 56 9.615 -4.537 -13.560 433 3HD2 LEU 56 3HD2 LEU 56 11.103 -3.589 -13.562 434 H SER 57 H SER 57 14.316 -6.113 -17.017 435 HA SER 57 HA SER 57 15.120 -3.434 -17.609 436 1HB SER 57 1HB SER 57 16.681 -5.377 -17.164 437 2HB SER 57 2HB SER 57 16.278 -5.971 -18.775 438 HG SER 57 HG SER 57 17.987 -4.742 -19.189 439 H LEU 58 H LEU 58 14.259 -6.199 -19.693 440 HA LEU 58 HA LEU 58 14.253 -4.791 -22.108 441 1HB LEU 58 1HB LEU 58 12.687 -7.230 -21.283 442 2HB LEU 58 2HB LEU 58 12.815 -6.642 -22.940 443 HG LEU 58 HG LEU 58 15.003 -7.801 -21.224 444 1HD1 LEU 58 1HD1 LEU 58 14.890 -8.999 -23.741 445 2HD1 LEU 58 2HD1 LEU 58 13.212 -8.838 -23.224 446 3HD1 LEU 58 3HD1 LEU 58 14.371 -9.689 -22.203 447 1HD2 LEU 58 1HD2 LEU 58 16.213 -7.473 -23.569 448 2HD2 LEU 58 2HD2 LEU 58 16.267 -6.250 -22.299 449 3HD2 LEU 58 3HD2 LEU 58 15.129 -6.083 -23.636 450 H VAL 59 H VAL 59 11.738 -5.253 -19.692 451 HA VAL 59 HA VAL 59 9.573 -4.242 -21.182 452 HB VAL 59 HB VAL 59 10.010 -4.217 -18.192 453 1HG1 VAL 59 1HG1 VAL 59 7.544 -3.697 -19.842 454 2HG1 VAL 59 2HG1 VAL 59 7.510 -4.053 -18.114 455 3HG1 VAL 59 3HG1 VAL 59 8.328 -2.605 -18.702 456 1HG2 VAL 59 1HG2 VAL 59 9.774 -6.386 -19.818 457 2HG2 VAL 59 2HG2 VAL 59 9.295 -6.346 -18.121 458 3HG2 VAL 59 3HG2 VAL 59 8.091 -6.089 -19.383 459 H ALA 60 H ALA 60 11.573 -2.630 -18.704 460 HA ALA 60 HA ALA 60 10.509 -0.100 -18.838 461 1HB ALA 60 1HB ALA 60 13.133 -1.213 -18.080 462 2HB ALA 60 2HB ALA 60 13.090 0.517 -18.424 463 3HB ALA 60 3HB ALA 60 12.040 -0.161 -17.180 464 H ARG 61 H ARG 61 13.312 -1.274 -20.712 465 HA ARG 61 HA ARG 61 13.776 0.965 -22.245 466 1HB ARG 61 1HB ARG 61 14.502 -1.811 -22.330 467 2HB ARG 61 2HB ARG 61 14.143 -1.254 -23.959 468 1HG ARG 61 1HG ARG 61 15.684 0.773 -23.145 469 2HG ARG 61 2HG ARG 61 16.349 -0.518 -22.142 470 1HD ARG 61 1HD ARG 61 16.216 -1.790 -24.507 471 2HD ARG 61 2HD ARG 61 16.453 -0.136 -25.068 472 HE ARG 61 HE ARG 61 18.347 -0.499 -23.126 473 1HH1 ARG 61 1HH1 ARG 61 17.506 -2.089 -26.107 474 2HH1 ARG 61 2HH1 ARG 61 19.126 -2.601 -26.443 475 1HH2 ARG 61 1HH2 ARG 61 20.484 -1.168 -23.557 476 2HH2 ARG 61 2HH2 ARG 61 20.820 -2.077 -24.991 477 H LEU 62 H LEU 62 11.497 -1.677 -22.882 478 HA LEU 62 HA LEU 62 10.612 -0.823 -25.394 479 1HB LEU 62 1HB LEU 62 10.097 -3.022 -24.591 480 2HB LEU 62 2HB LEU 62 9.201 -2.363 -23.224 481 HG LEU 62 HG LEU 62 8.119 -1.497 -25.782 482 1HD1 LEU 62 1HD1 LEU 62 8.719 -3.529 -26.740 483 2HD1 LEU 62 2HD1 LEU 62 7.084 -3.822 -26.149 484 3HD1 LEU 62 3HD1 LEU 62 8.470 -4.423 -25.239 485 1HD2 LEU 62 1HD2 LEU 62 7.076 -2.839 -23.302 486 2HD2 LEU 62 2HD2 LEU 62 6.054 -2.488 -24.696 487 3HD2 LEU 62 3HD2 LEU 62 6.844 -1.171 -23.826 488 H ILE 63 H ILE 63 9.177 -0.235 -22.185 489 HA ILE 63 HA ILE 63 7.079 1.401 -23.032 490 HB ILE 63 HB ILE 63 8.564 1.245 -20.421 491 1HG1 ILE 63 1HG1 ILE 63 5.727 0.515 -21.176 492 2HG1 ILE 63 2HG1 ILE 63 7.066 -0.625 -21.114 493 1HG2 ILE 63 1HG2 ILE 63 7.864 3.358 -20.067 494 2HG2 ILE 63 2HG2 ILE 63 6.643 3.279 -21.336 495 3HG2 ILE 63 3HG2 ILE 63 6.315 2.575 -19.753 496 1HD1 ILE 63 1HD1 ILE 63 7.338 -0.002 -18.697 497 2HD1 ILE 63 2HD1 ILE 63 5.813 0.873 -18.836 498 3HD1 ILE 63 3HD1 ILE 63 5.857 -0.869 -19.104 499 H ILE 64 H ILE 64 10.323 2.303 -21.880 500 HA ILE 64 HA ILE 64 10.055 5.067 -22.067 501 HB ILE 64 HB ILE 64 12.501 3.342 -22.448 502 1HG1 ILE 64 1HG1 ILE 64 12.289 5.065 -20.090 503 2HG1 ILE 64 2HG1 ILE 64 11.006 3.863 -20.188 504 1HG2 ILE 64 1HG2 ILE 64 12.212 6.328 -22.340 505 2HG2 ILE 64 2HG2 ILE 64 13.714 5.518 -21.896 506 3HG2 ILE 64 3HG2 ILE 64 13.067 5.344 -23.528 507 1HD1 ILE 64 1HD1 ILE 64 13.100 2.295 -20.712 508 2HD1 ILE 64 2HD1 ILE 64 13.896 3.522 -19.725 509 3HD1 ILE 64 3HD1 ILE 64 12.523 2.624 -19.078 510 H HIS 65 H HIS 65 11.225 2.759 -24.507 511 HA HIS 65 HA HIS 65 11.835 4.581 -26.521 512 1HB HIS 65 1HB HIS 65 11.902 1.847 -26.274 513 2HB HIS 65 2HB HIS 65 10.641 2.077 -27.481 514 HD1 HIS 65 HD1 HIS 65 13.958 1.250 -27.504 515 HD2 HIS 65 HD2 HIS 65 11.872 4.316 -29.377 516 HE1 HIS 65 HE1 HIS 65 15.389 1.945 -29.452 517 H PHE 66 H PHE 66 8.758 3.188 -25.566 518 HA PHE 66 HA PHE 66 7.276 4.041 -27.824 519 1HB PHE 66 1HB PHE 66 6.616 3.050 -25.091 520 2HB PHE 66 2HB PHE 66 5.349 3.869 -25.998 521 HD1 PHE 66 HD1 PHE 66 5.233 3.031 -28.559 522 HD2 PHE 66 HD2 PHE 66 6.671 0.772 -25.251 523 HE1 PHE 66 HE1 PHE 66 4.761 0.948 -29.781 524 HE2 PHE 66 HE2 PHE 66 6.202 -1.315 -26.468 525 HZ PHE 66 HZ PHE 66 5.246 -1.228 -28.736 526 H ARG 67 H ARG 67 7.769 5.453 -24.605 527 HA ARG 67 HA ARG 67 6.103 7.683 -24.930 528 1HB ARG 67 1HB ARG 67 8.564 7.273 -23.229 529 2HB ARG 67 2HB ARG 67 7.552 8.707 -23.132 530 1HG ARG 67 1HG ARG 67 6.004 7.668 -21.909 531 2HG ARG 67 2HG ARG 67 6.045 6.223 -22.921 532 1HD ARG 67 1HD ARG 67 7.679 5.223 -21.665 533 2HD ARG 67 2HD ARG 67 8.352 6.759 -21.122 534 HE ARG 67 HE ARG 67 6.307 5.225 -19.839 535 1HH1 ARG 67 1HH1 ARG 67 7.540 8.443 -20.328 536 2HH1 ARG 67 2HH1 ARG 67 6.879 9.062 -18.851 537 1HH2 ARG 67 1HH2 ARG 67 5.432 6.027 -17.891 538 2HH2 ARG 67 2HH2 ARG 67 5.681 7.686 -17.465 539 H ASP 68 H ASP 68 9.419 7.094 -25.900 540 HA ASP 68 HA ASP 68 10.044 9.791 -26.556 541 1HB ASP 68 1HB ASP 68 11.636 7.774 -26.154 542 2HB ASP 68 2HB ASP 68 11.359 7.425 -27.858 543 H ILE 69 H ILE 69 9.091 6.984 -28.523 544 HA ILE 69 HA ILE 69 9.143 8.136 -31.027 545 HB ILE 69 HB ILE 69 7.133 6.133 -29.991 546 1HG1 ILE 69 1HG1 ILE 69 9.441 5.375 -31.707 547 2HG1 ILE 69 2HG1 ILE 69 9.787 5.776 -30.028 548 1HG2 ILE 69 1HG2 ILE 69 7.462 7.408 -32.580 549 2HG2 ILE 69 2HG2 ILE 69 7.540 5.650 -32.675 550 3HG2 ILE 69 3HG2 ILE 69 6.130 6.432 -31.960 551 1HD1 ILE 69 1HD1 ILE 69 7.641 4.081 -29.823 552 2HD1 ILE 69 2HD1 ILE 69 8.562 3.405 -31.167 553 3HD1 ILE 69 3HD1 ILE 69 9.335 3.645 -29.600 554 H HIS 70 H HIS 70 6.486 8.160 -28.670 555 HA HIS 70 HA HIS 70 4.796 9.764 -30.354 556 1HB HIS 70 1HB HIS 70 3.715 8.245 -28.848 557 2HB HIS 70 2HB HIS 70 4.584 8.904 -27.466 558 HD1 HIS 70 HD1 HIS 70 1.805 9.753 -29.863 559 HD2 HIS 70 HD2 HIS 70 3.420 11.107 -26.283 560 HE1 HIS 70 HE1 HIS 70 0.182 11.470 -29.000 561 H ASN 71 H ASN 71 7.199 10.340 -27.933 562 HA ASN 71 HA ASN 71 6.419 12.927 -27.124 563 1HB ASN 71 1HB ASN 71 8.012 11.780 -25.777 564 2HB ASN 71 2HB ASN 71 9.089 11.521 -27.146 565 1HD2 ASN 71 1HD2 ASN 71 7.408 14.376 -25.880 566 2HD2 ASN 71 2HD2 ASN 71 8.826 15.351 -25.721 567 H LYS 72 H LYS 72 8.224 11.740 -29.874 568 HA LYS 72 HA LYS 72 8.945 12.743 -31.783 569 1HB LYS 72 1HB LYS 72 6.695 14.368 -30.885 570 2HB LYS 72 2HB LYS 72 7.853 15.290 -31.835 571 1HG LYS 72 1HG LYS 72 7.485 14.056 -33.738 572 2HG LYS 72 2HG LYS 72 6.917 12.645 -32.841 573 1HD LYS 72 1HD LYS 72 4.904 13.384 -33.586 574 2HD LYS 72 2HD LYS 72 5.015 14.386 -32.137 575 1HE LYS 72 1HE LYS 72 5.746 15.188 -34.951 576 2HE LYS 72 2HE LYS 72 4.351 15.743 -34.026 577 1HZ LYS 72 1HZ LYS 72 6.217 16.475 -32.362 578 2HZ LYS 72 2HZ LYS 72 5.788 17.454 -33.673 579 3HZ LYS 72 3HZ LYS 72 7.171 16.484 -33.760 580 H LYS 73 H LYS 73 9.943 14.976 -32.583 581 HA LYS 73 HA LYS 73 11.687 16.427 -32.425 582 1HB LYS 73 1HB LYS 73 10.022 17.259 -30.552 583 2HB LYS 73 2HB LYS 73 11.295 16.700 -29.475 584 1HG LYS 73 1HG LYS 73 12.466 18.264 -31.551 585 2HG LYS 73 2HG LYS 73 11.117 19.156 -30.843 586 1HD LYS 73 1HD LYS 73 12.055 19.006 -28.663 587 2HD LYS 73 2HD LYS 73 13.264 17.835 -29.193 588 1HE LYS 73 1HE LYS 73 14.553 19.431 -30.225 589 2HE LYS 73 2HE LYS 73 13.186 20.509 -30.504 590 1HZ LYS 73 1HZ LYS 73 13.981 20.000 -27.736 591 2HZ LYS 73 2HZ LYS 73 13.347 21.403 -28.436 592 3HZ LYS 73 3HZ LYS 73 14.975 21.005 -28.665 593 H SER 74 H SER 74 12.040 13.537 -31.890 594 HA SER 74 HA SER 74 14.729 13.723 -30.776 595 1HB SER 74 1HB SER 74 12.617 12.741 -29.230 596 2HB SER 74 2HB SER 74 13.446 11.301 -29.820 597 HG SER 74 HG SER 74 14.921 13.443 -28.749 598 H GLN 75 H GLN 75 15.465 11.120 -30.782 599 HA GLN 75 HA GLN 75 15.729 10.576 -33.569 600 1HB GLN 75 1HB GLN 75 17.552 10.083 -32.045 601 2HB GLN 75 2HB GLN 75 16.538 8.964 -31.144 602 1HG GLN 75 1HG GLN 75 17.272 7.330 -32.433 603 2HG GLN 75 2HG GLN 75 16.466 8.092 -33.803 604 1HE2 GLN 75 1HE2 GLN 75 17.656 9.175 -35.309 605 2HE2 GLN 75 2HE2 GLN 75 19.383 9.186 -35.332 606 H ALA 76 H ALA 76 14.688 8.274 -31.065 607 HA ALA 76 HA ALA 76 13.101 6.643 -31.058 608 1HB ALA 76 1HB ALA 76 11.060 7.473 -31.363 609 2HB ALA 76 2HB ALA 76 11.834 8.946 -31.949 610 3HB ALA 76 3HB ALA 76 11.335 7.698 -33.091 611 H SER 77 H SER 77 14.114 4.900 -31.923 612 HA SER 77 HA SER 77 13.690 4.433 -34.797 613 1HB SER 77 1HB SER 77 15.972 3.038 -34.385 614 2HB SER 77 2HB SER 77 15.944 4.698 -34.979 615 HG SER 77 HG SER 77 17.235 4.907 -33.290 616 H VAL 78 H VAL 78 12.177 2.894 -34.817 617 HA VAL 78 HA VAL 78 12.129 0.810 -32.799 618 HB VAL 78 HB VAL 78 10.089 0.030 -33.963 619 1HG1 VAL 78 1HG1 VAL 78 10.108 1.833 -32.190 620 2HG1 VAL 78 2HG1 VAL 78 9.945 3.000 -33.504 621 3HG1 VAL 78 3HG1 VAL 78 8.689 1.791 -33.235 622 1HG2 VAL 78 1HG2 VAL 78 11.129 1.334 -36.148 623 2HG2 VAL 78 2HG2 VAL 78 9.489 0.702 -36.010 624 3HG2 VAL 78 3HG2 VAL 78 9.814 2.396 -35.643 Start of MODEL 2 1 1H GLY 2 HT1 GLY 2 3.290 5.369 -9.389 2 1HA GLY 2 1HA GLY 2 2.531 3.264 -7.563 3 2HA GLY 2 2HA GLY 2 2.471 2.790 -9.254 4 H ALA 3 H ALA 3 4.281 2.045 -10.154 5 HA ALA 3 HA ALA 3 6.457 1.442 -10.440 6 1HB ALA 3 1HB ALA 3 8.031 3.098 -10.340 7 2HB ALA 3 2HB ALA 3 6.559 4.070 -10.307 8 3HB ALA 3 3HB ALA 3 7.428 3.734 -8.809 9 H MET 4 H MET 4 5.459 -0.136 -8.680 10 HA MET 4 HA MET 4 7.398 -0.208 -6.465 11 1HB MET 4 1HB MET 4 4.634 0.079 -6.213 12 2HB MET 4 2HB MET 4 4.933 -1.621 -5.872 13 1HG MET 4 1HG MET 4 6.596 -0.967 -4.184 14 2HG MET 4 2HG MET 4 6.224 0.726 -4.501 15 1HE MET 4 1HE MET 4 5.891 -1.784 -2.027 16 2HE MET 4 2HE MET 4 4.193 -1.998 -1.601 17 3HE MET 4 3HE MET 4 4.824 -2.698 -3.093 18 H GLY 5 H GLY 5 7.096 -2.612 -5.428 19 1HA GLY 5 1HA GLY 5 6.506 -4.868 -6.743 20 2HA GLY 5 2HA GLY 5 7.966 -4.360 -7.579 21 H GLN 6 H GLN 6 9.799 -5.175 -6.829 22 HA GLN 6 HA GLN 6 11.329 -6.170 -5.473 23 1HB GLN 6 1HB GLN 6 10.728 -3.992 -4.171 24 2HB GLN 6 2HB GLN 6 9.898 -5.085 -3.071 25 1HG GLN 6 1HG GLN 6 11.837 -6.030 -2.318 26 2HG GLN 6 2HG GLN 6 12.713 -5.683 -3.808 27 1HE2 GLN 6 1HE2 GLN 6 12.835 -5.031 -0.726 28 2HE2 GLN 6 2HE2 GLN 6 13.363 -3.386 -0.732 29 H GLU 7 H GLU 7 10.817 -8.302 -5.815 30 HA GLU 7 HA GLU 7 9.897 -9.792 -3.595 31 1HB GLU 7 1HB GLU 7 7.906 -9.007 -5.585 32 2HB GLU 7 2HB GLU 7 7.994 -10.747 -5.354 33 1HG GLU 7 1HG GLU 7 8.009 -9.370 -2.824 34 2HG GLU 7 2HG GLU 7 6.614 -8.905 -3.796 35 H THR 8 H THR 8 10.046 -12.083 -3.928 36 HA THR 8 HA THR 8 11.979 -12.748 -5.992 37 HB THR 8 HB THR 8 10.927 -14.792 -4.085 38 HG1 THR 8 HG1 THR 8 12.192 -13.959 -2.434 39 1HG2 THR 8 1HG2 THR 8 13.544 -14.169 -5.420 40 2HG2 THR 8 2HG2 THR 8 12.572 -15.638 -5.519 41 3HG2 THR 8 3HG2 THR 8 13.456 -15.263 -4.040 42 H ASP 9 H ASP 9 8.704 -13.657 -5.025 43 HA ASP 9 HA ASP 9 8.408 -15.650 -7.056 44 1HB ASP 9 1HB ASP 9 6.122 -14.257 -5.682 45 2HB ASP 9 2HB ASP 9 6.202 -15.912 -6.279 46 H TRP 10 H TRP 10 9.192 -14.268 -8.834 47 HA TRP 10 HA TRP 10 7.504 -12.124 -9.746 48 1HB TRP 10 1HB TRP 10 9.057 -11.850 -11.518 49 2HB TRP 10 2HB TRP 10 10.017 -12.295 -10.109 50 HD1 TRP 10 HD1 TRP 10 10.436 -15.168 -10.021 51 HE1 TRP 10 HE1 TRP 10 11.271 -16.620 -11.975 52 HE3 TRP 10 HE3 TRP 10 9.226 -12.074 -13.906 53 HZ2 TRP 10 HZ2 TRP 10 11.399 -16.473 -14.791 54 HZ3 TRP 10 HZ3 TRP 10 9.739 -12.804 -16.199 55 HH2 TRP 10 HH2 TRP 10 10.803 -14.958 -16.630 56 H ARG 11 H ARG 11 7.133 -15.385 -9.771 57 HA ARG 11 HA ARG 11 5.968 -15.582 -12.433 58 1HB ARG 11 1HB ARG 11 6.853 -17.475 -10.357 59 2HB ARG 11 2HB ARG 11 5.404 -17.961 -11.228 60 1HG ARG 11 1HG ARG 11 6.526 -17.987 -13.293 61 2HG ARG 11 2HG ARG 11 7.906 -17.100 -12.643 62 1HD ARG 11 1HD ARG 11 8.799 -19.183 -12.577 63 2HD ARG 11 2HD ARG 11 7.975 -19.212 -11.019 64 HE ARG 11 HE ARG 11 6.209 -20.135 -12.989 65 1HH1 ARG 11 1HH1 ARG 11 9.141 -21.090 -11.376 66 2HH1 ARG 11 2HH1 ARG 11 8.838 -22.787 -11.549 67 1HH2 ARG 11 1HH2 ARG 11 5.798 -22.366 -13.224 68 2HH2 ARG 11 2HH2 ARG 11 6.937 -23.512 -12.602 69 H SER 12 H SER 12 4.901 -14.088 -9.904 70 HA SER 12 HA SER 12 2.329 -15.362 -9.523 71 1HB SER 12 1HB SER 12 2.861 -14.372 -7.533 72 2HB SER 12 2HB SER 12 3.797 -13.089 -8.301 73 HG SER 12 HG SER 12 1.776 -12.411 -7.321 74 H THR 13 H THR 13 0.355 -14.597 -10.218 75 HA THR 13 HA THR 13 0.202 -13.407 -12.726 76 HB THR 13 HB THR 13 -2.065 -13.184 -10.767 77 HG1 THR 13 HG1 THR 13 -2.219 -15.294 -10.644 78 1HG2 THR 13 1HG2 THR 13 -1.847 -13.714 -13.729 79 2HG2 THR 13 2HG2 THR 13 -2.520 -12.289 -12.938 80 3HG2 THR 13 3HG2 THR 13 -3.353 -13.839 -12.820 81 H ALA 14 H ALA 14 -0.400 -11.953 -9.533 82 HA ALA 14 HA ALA 14 -1.110 -9.403 -10.332 83 1HB ALA 14 1HB ALA 14 0.467 -10.229 -7.898 84 2HB ALA 14 2HB ALA 14 -0.298 -8.655 -8.124 85 3HB ALA 14 3HB ALA 14 -1.288 -10.112 -8.030 86 H PHE 15 H PHE 15 2.098 -10.823 -10.005 87 HA PHE 15 HA PHE 15 3.578 -8.441 -10.321 88 1HB PHE 15 1HB PHE 15 4.324 -10.837 -9.566 89 2HB PHE 15 2HB PHE 15 4.613 -11.083 -11.286 90 HD1 PHE 15 HD1 PHE 15 5.869 -8.896 -12.360 91 HD2 PHE 15 HD2 PHE 15 6.186 -10.306 -8.357 92 HE1 PHE 15 HE1 PHE 15 8.061 -7.799 -12.151 93 HE2 PHE 15 HE2 PHE 15 8.378 -9.211 -8.141 94 HZ PHE 15 HZ PHE 15 9.318 -7.955 -10.039 95 H ARG 16 H ARG 16 3.288 -11.078 -12.703 96 HA ARG 16 HA ARG 16 4.194 -9.644 -14.895 97 1HB ARG 16 1HB ARG 16 3.808 -12.137 -14.742 98 2HB ARG 16 2HB ARG 16 2.102 -11.816 -15.018 99 1HG ARG 16 1HG ARG 16 2.711 -10.729 -17.166 100 2HG ARG 16 2HG ARG 16 4.380 -11.235 -16.894 101 1HD ARG 16 1HD ARG 16 3.946 -13.392 -17.398 102 2HD ARG 16 2HD ARG 16 2.350 -13.354 -16.649 103 HE ARG 16 HE ARG 16 2.989 -12.842 -19.409 104 1HH1 ARG 16 1HH1 ARG 16 0.686 -12.336 -16.848 105 2HH1 ARG 16 2HH1 ARG 16 -0.647 -12.067 -17.922 106 1HH2 ARG 16 1HH2 ARG 16 1.243 -12.489 -20.834 107 2HH2 ARG 16 2HH2 ARG 16 -0.329 -12.155 -20.189 108 H GLN 17 H GLN 17 0.927 -9.927 -13.593 109 HA GLN 17 HA GLN 17 -0.512 -8.743 -15.648 110 1HB GLN 17 1HB GLN 17 -1.553 -9.814 -13.698 111 2HB GLN 17 2HB GLN 17 -0.991 -8.501 -12.673 112 1HG GLN 17 1HG GLN 17 -2.746 -7.958 -15.032 113 2HG GLN 17 2HG GLN 17 -3.427 -8.491 -13.496 114 1HE2 GLN 17 1HE2 GLN 17 -3.089 -5.868 -15.230 115 2HE2 GLN 17 2HE2 GLN 17 -2.825 -4.674 -14.010 116 H LYS 18 H LYS 18 0.632 -7.094 -12.696 117 HA LYS 18 HA LYS 18 0.030 -4.505 -13.424 118 1HB LYS 18 1HB LYS 18 1.969 -5.764 -11.575 119 2HB LYS 18 2HB LYS 18 2.297 -4.093 -12.013 120 1HG LYS 18 1HG LYS 18 0.342 -3.318 -11.036 121 2HG LYS 18 2HG LYS 18 -0.418 -4.911 -11.062 122 1HD LYS 18 1HD LYS 18 1.588 -5.527 -9.473 123 2HD LYS 18 2HD LYS 18 1.591 -3.789 -9.166 124 1HE LYS 18 1HE LYS 18 -0.959 -4.111 -8.804 125 2HE LYS 18 2HE LYS 18 -0.542 -5.812 -8.600 126 1HZ LYS 18 1HZ LYS 18 1.174 -4.917 -6.935 127 2HZ LYS 18 2HZ LYS 18 -0.449 -4.977 -6.462 128 3HZ LYS 18 3HZ LYS 18 0.239 -3.506 -6.937 129 H LEU 19 H LEU 19 3.066 -6.262 -14.015 130 HA LEU 19 HA LEU 19 4.432 -4.207 -15.323 131 1HB LEU 19 1HB LEU 19 4.620 -7.185 -15.348 132 2HB LEU 19 2HB LEU 19 5.564 -6.251 -16.507 133 HG LEU 19 HG LEU 19 6.496 -7.007 -14.114 134 1HD1 LEU 19 1HD1 LEU 19 7.842 -6.017 -15.838 135 2HD1 LEU 19 2HD1 LEU 19 8.128 -5.155 -14.327 136 3HD1 LEU 19 3HD1 LEU 19 7.101 -4.439 -15.569 137 1HD2 LEU 19 1HD2 LEU 19 4.755 -5.683 -12.936 138 2HD2 LEU 19 2HD2 LEU 19 5.451 -4.220 -13.633 139 3HD2 LEU 19 3HD2 LEU 19 6.404 -5.209 -12.525 140 H VAL 20 H VAL 20 2.248 -6.685 -16.590 141 HA VAL 20 HA VAL 20 2.579 -6.198 -19.316 142 HB VAL 20 HB VAL 20 0.287 -7.268 -17.705 143 1HG1 VAL 20 1HG1 VAL 20 -1.053 -6.403 -19.328 144 2HG1 VAL 20 2HG1 VAL 20 0.243 -6.349 -20.525 145 3HG1 VAL 20 3HG1 VAL 20 -0.551 -7.879 -20.152 146 1HG2 VAL 20 1HG2 VAL 20 1.044 -9.057 -19.686 147 2HG2 VAL 20 2HG2 VAL 20 2.559 -8.327 -19.156 148 3HG2 VAL 20 3HG2 VAL 20 1.503 -9.115 -17.984 149 H SER 21 H SER 21 0.320 -4.728 -17.004 150 HA SER 21 HA SER 21 -1.079 -3.117 -18.809 151 1HB SER 21 1HB SER 21 -0.561 -2.979 -15.860 152 2HB SER 21 2HB SER 21 -1.353 -1.625 -16.664 153 HG SER 21 HG SER 21 -2.695 -3.530 -17.576 154 H GLN 22 H GLN 22 1.897 -2.502 -16.999 155 HA GLN 22 HA GLN 22 2.230 0.193 -17.628 156 1HB GLN 22 1HB GLN 22 4.337 -1.931 -17.198 157 2HB GLN 22 2HB GLN 22 4.642 -0.200 -17.201 158 1HG GLN 22 1HG GLN 22 3.140 -1.840 -15.201 159 2HG GLN 22 2HG GLN 22 4.509 -0.758 -14.950 160 1HE2 GLN 22 1HE2 GLN 22 1.290 -1.088 -14.496 161 2HE2 GLN 22 2HE2 GLN 22 0.831 0.574 -14.395 162 H ILE 23 H ILE 23 3.581 -2.654 -19.294 163 HA ILE 23 HA ILE 23 4.834 -1.275 -21.375 164 HB ILE 23 HB ILE 23 3.688 -4.064 -21.302 165 1HG1 ILE 23 1HG1 ILE 23 6.547 -3.080 -21.177 166 2HG1 ILE 23 2HG1 ILE 23 5.587 -3.535 -19.774 167 1HG2 ILE 23 1HG2 ILE 23 3.853 -4.040 -23.530 168 2HG2 ILE 23 2HG2 ILE 23 4.759 -2.528 -23.534 169 3HG2 ILE 23 3HG2 ILE 23 5.597 -4.057 -23.273 170 1HD1 ILE 23 1HD1 ILE 23 7.264 -5.206 -20.949 171 2HD1 ILE 23 2HD1 ILE 23 5.761 -5.753 -20.205 172 3HD1 ILE 23 3HD1 ILE 23 5.848 -5.522 -21.951 173 H GLU 24 H GLU 24 1.512 -2.366 -21.007 174 HA GLU 24 HA GLU 24 0.726 -1.841 -23.693 175 1HB GLU 24 1HB GLU 24 -0.416 -3.136 -21.570 176 2HB GLU 24 2HB GLU 24 -1.366 -1.659 -21.637 177 1HG GLU 24 1HG GLU 24 -0.999 -2.817 -24.261 178 2HG GLU 24 2HG GLU 24 -1.749 -3.949 -23.138 179 H ASP 25 H ASP 25 0.880 0.060 -20.764 180 HA ASP 25 HA ASP 25 -0.702 2.233 -21.724 181 1HB ASP 25 1HB ASP 25 -0.200 1.669 -19.290 182 2HB ASP 25 2HB ASP 25 1.388 2.384 -19.553 183 H ALA 26 H ALA 26 2.805 1.754 -21.341 184 HA ALA 26 HA ALA 26 3.632 4.208 -22.378 185 1HB ALA 26 1HB ALA 26 4.856 1.734 -21.620 186 2HB ALA 26 2HB ALA 26 5.562 2.307 -23.132 187 3HB ALA 26 3HB ALA 26 5.564 3.348 -21.707 188 H MET 27 H MET 27 3.006 1.129 -24.022 189 HA MET 27 HA MET 27 3.835 1.934 -26.586 190 1HB MET 27 1HB MET 27 2.640 -0.363 -25.399 191 2HB MET 27 2HB MET 27 1.693 0.067 -26.817 192 1HG MET 27 1HG MET 27 3.717 0.023 -28.183 193 2HG MET 27 2HG MET 27 4.664 -0.409 -26.761 194 1HE MET 27 1HE MET 27 2.176 -3.059 -29.437 195 2HE MET 27 2HE MET 27 2.156 -1.297 -29.368 196 3HE MET 27 3HE MET 27 3.610 -2.143 -29.901 197 H ARG 28 H ARG 28 0.648 1.989 -25.027 198 HA ARG 28 HA ARG 28 -0.912 2.820 -27.143 199 1HB ARG 28 1HB ARG 28 -1.976 2.243 -25.096 200 2HB ARG 28 2HB ARG 28 -1.081 3.466 -24.204 201 1HG ARG 28 1HG ARG 28 -2.621 5.007 -24.617 202 2HG ARG 28 2HG ARG 28 -2.613 4.647 -26.345 203 1HD ARG 28 1HD ARG 28 -4.186 2.869 -26.049 204 2HD ARG 28 2HD ARG 28 -4.067 2.988 -24.294 205 HE ARG 28 HE ARG 28 -4.920 5.453 -25.063 206 1HH1 ARG 28 1HH1 ARG 28 -6.050 2.205 -25.606 207 2HH1 ARG 28 2HH1 ARG 28 -7.716 2.665 -25.724 208 1HH2 ARG 28 1HH2 ARG 28 -7.110 6.071 -25.216 209 2HH2 ARG 28 2HH2 ARG 28 -8.318 4.864 -25.503 210 H LYS 29 H LYS 29 0.754 4.907 -24.782 211 HA LYS 29 HA LYS 29 0.123 7.305 -26.207 212 1HB LYS 29 1HB LYS 29 2.023 6.709 -23.940 213 2HB LYS 29 2HB LYS 29 1.818 8.320 -24.614 214 1HG LYS 29 1HG LYS 29 -0.737 7.770 -24.129 215 2HG LYS 29 2HG LYS 29 -0.002 6.727 -22.910 216 1HD LYS 29 1HD LYS 29 0.632 8.467 -21.640 217 2HD LYS 29 2HD LYS 29 1.157 9.413 -23.035 218 1HE LYS 29 1HE LYS 29 -1.070 10.145 -23.469 219 2HE LYS 29 2HE LYS 29 -1.735 9.012 -22.293 220 1HZ LYS 29 1HZ LYS 29 0.059 10.510 -20.873 221 2HZ LYS 29 2HZ LYS 29 -1.624 10.676 -20.848 222 3HZ LYS 29 3HZ LYS 29 -0.695 11.637 -21.885 223 H ALA 30 H ALA 30 2.649 4.961 -26.362 224 HA ALA 30 HA ALA 30 4.638 6.597 -27.572 225 1HB ALA 30 1HB ALA 30 4.278 3.604 -27.590 226 2HB ALA 30 2HB ALA 30 5.711 4.453 -28.171 227 3HB ALA 30 3HB ALA 30 5.262 4.544 -26.468 228 H GLY 31 H GLY 31 1.796 5.031 -28.738 229 1HA GLY 31 1HA GLY 31 0.882 4.821 -30.835 230 2HA GLY 31 2HA GLY 31 1.747 6.309 -31.191 231 H VAL 32 H VAL 32 2.046 2.789 -31.141 232 HA VAL 32 HA VAL 32 4.010 3.018 -33.324 233 HB VAL 32 HB VAL 32 4.990 0.846 -32.447 234 1HG1 VAL 32 1HG1 VAL 32 6.617 2.006 -31.369 235 2HG1 VAL 32 2HG1 VAL 32 5.741 3.375 -32.056 236 3HG1 VAL 32 3HG1 VAL 32 5.471 2.907 -30.377 237 1HG2 VAL 32 1HG2 VAL 32 2.884 0.727 -30.821 238 2HG2 VAL 32 2HG2 VAL 32 4.434 -0.009 -30.414 239 3HG2 VAL 32 3HG2 VAL 32 4.003 1.566 -29.747 240 H ALA 33 H ALA 33 4.278 0.593 -34.243 241 HA ALA 33 HA ALA 33 1.760 -0.822 -34.402 242 1HB ALA 33 1HB ALA 33 1.735 1.159 -36.066 243 2HB ALA 33 2HB ALA 33 2.850 0.167 -37.008 244 3HB ALA 33 3HB ALA 33 1.237 -0.438 -36.627 245 H HIS 34 H HIS 34 2.104 -2.463 -36.459 246 HA HIS 34 HA HIS 34 3.182 -4.335 -37.174 247 1HB HIS 34 1HB HIS 34 4.885 -2.459 -37.793 248 2HB HIS 34 2HB HIS 34 5.824 -3.107 -36.452 249 HD1 HIS 34 HD1 HIS 34 6.109 -3.253 -39.803 250 HD2 HIS 34 HD2 HIS 34 5.543 -6.282 -37.016 251 HE1 HIS 34 HE1 HIS 34 6.940 -5.351 -40.912 252 H SER 35 H SER 35 2.227 -5.288 -35.210 253 HA SER 35 HA SER 35 4.042 -6.922 -33.851 254 1HB SER 35 1HB SER 35 3.236 -5.701 -31.525 255 2HB SER 35 2HB SER 35 4.815 -5.491 -32.283 256 HG SER 35 HG SER 35 2.597 -3.786 -32.268 257 H LYS 36 H LYS 36 3.013 -8.367 -32.350 258 HA LYS 36 HA LYS 36 0.369 -9.036 -33.090 259 1HB LYS 36 1HB LYS 36 2.391 -10.418 -31.981 260 2HB LYS 36 2HB LYS 36 1.447 -10.091 -30.534 261 1HG LYS 36 1HG LYS 36 0.393 -11.417 -33.024 262 2HG LYS 36 2HG LYS 36 0.903 -12.256 -31.557 263 1HD LYS 36 1HD LYS 36 -0.810 -10.958 -30.298 264 2HD LYS 36 2HD LYS 36 -1.371 -10.293 -31.833 265 1HE LYS 36 1HE LYS 36 -1.335 -12.989 -32.328 266 2HE LYS 36 2HE LYS 36 -1.829 -12.921 -30.637 267 1HZ LYS 36 1HZ LYS 36 -3.553 -12.735 -32.607 268 2HZ LYS 36 2HZ LYS 36 -3.149 -11.096 -32.496 269 3HZ LYS 36 3HZ LYS 36 -3.774 -11.905 -31.148 270 H SER 37 H SER 37 1.507 -8.297 -29.793 271 HA SER 37 HA SER 37 -0.260 -6.214 -29.252 272 1HB SER 37 1HB SER 37 -2.139 -7.621 -29.485 273 2HB SER 37 2HB SER 37 -1.343 -8.964 -28.664 274 HG SER 37 HG SER 37 -2.702 -8.091 -27.181 275 H SER 38 H SER 38 -0.350 -5.658 -26.960 276 HA SER 38 HA SER 38 2.083 -5.838 -25.678 277 1HB SER 38 1HB SER 38 1.080 -4.311 -24.384 278 2HB SER 38 2HB SER 38 -0.474 -4.716 -25.113 279 HG SER 38 HG SER 38 0.112 -5.052 -22.655 280 H LYS 39 H LYS 39 -0.860 -7.708 -24.951 281 HA LYS 39 HA LYS 39 0.096 -9.260 -22.881 282 1HB LYS 39 1HB LYS 39 -2.247 -9.142 -24.177 283 2HB LYS 39 2HB LYS 39 -1.615 -10.617 -24.897 284 1HG LYS 39 1HG LYS 39 -2.858 -11.364 -23.082 285 2HG LYS 39 2HG LYS 39 -1.195 -11.387 -22.491 286 1HD LYS 39 1HD LYS 39 -1.674 -9.924 -20.880 287 2HD LYS 39 2HD LYS 39 -2.421 -8.814 -22.032 288 1HE LYS 39 1HE LYS 39 -3.827 -11.257 -20.982 289 2HE LYS 39 2HE LYS 39 -3.903 -9.695 -20.168 290 1HZ LYS 39 1HZ LYS 39 -5.407 -10.593 -22.359 291 2HZ LYS 39 2HZ LYS 39 -4.471 -9.279 -22.867 292 3HZ LYS 39 3HZ LYS 39 -5.514 -9.113 -21.546 293 H ASP 40 H ASP 40 0.463 -9.754 -26.359 294 HA ASP 40 HA ASP 40 1.789 -12.276 -26.093 295 1HB ASP 40 1HB ASP 40 1.187 -10.394 -28.324 296 2HB ASP 40 2HB ASP 40 2.486 -11.559 -28.564 297 H MET 41 H MET 41 2.793 -8.928 -26.279 298 HA MET 41 HA MET 41 5.542 -9.415 -26.778 299 1HB MET 41 1HB MET 41 3.858 -7.112 -26.078 300 2HB MET 41 2HB MET 41 5.503 -7.012 -25.463 301 1HG MET 41 1HG MET 41 6.022 -6.169 -27.451 302 2HG MET 41 2HG MET 41 5.890 -7.822 -28.047 303 1HE MET 41 1HE MET 41 4.828 -7.107 -30.815 304 2HE MET 41 2HE MET 41 4.791 -8.489 -29.720 305 3HE MET 41 3HE MET 41 3.297 -7.905 -30.456 306 H GLU 42 H GLU 42 3.777 -8.619 -23.785 307 HA GLU 42 HA GLU 42 5.999 -8.837 -22.071 308 1HB GLU 42 1HB GLU 42 3.074 -9.254 -21.428 309 2HB GLU 42 2HB GLU 42 4.352 -8.963 -20.256 310 1HG GLU 42 1HG GLU 42 4.077 -6.784 -20.468 311 2HG GLU 42 2HG GLU 42 4.434 -6.888 -22.191 312 H SER 43 H SER 43 3.578 -11.188 -23.114 313 HA SER 43 HA SER 43 4.258 -13.286 -21.403 314 1HB SER 43 1HB SER 43 2.239 -13.389 -22.728 315 2HB SER 43 2HB SER 43 3.168 -13.354 -24.226 316 HG SER 43 HG SER 43 3.743 -15.404 -23.944 317 H HIS 44 H HIS 44 5.522 -12.457 -24.612 318 HA HIS 44 HA HIS 44 7.254 -14.655 -24.880 319 1HB HIS 44 1HB HIS 44 6.598 -13.164 -26.747 320 2HB HIS 44 2HB HIS 44 7.578 -11.881 -26.043 321 HD1 HIS 44 HD1 HIS 44 9.731 -11.660 -27.212 322 HD2 HIS 44 HD2 HIS 44 8.441 -15.608 -27.115 323 HE1 HIS 44 HE1 HIS 44 11.505 -12.977 -28.413 324 H VAL 45 H VAL 45 7.779 -11.406 -23.562 325 HA VAL 45 HA VAL 45 10.516 -11.559 -23.100 326 HB VAL 45 HB VAL 45 8.526 -10.162 -21.310 327 1HG1 VAL 45 1HG1 VAL 45 11.254 -10.437 -21.051 328 2HG1 VAL 45 2HG1 VAL 45 11.077 -8.868 -21.839 329 3HG1 VAL 45 3HG1 VAL 45 10.263 -9.183 -20.307 330 1HG2 VAL 45 1HG2 VAL 45 7.984 -8.864 -23.029 331 2HG2 VAL 45 2HG2 VAL 45 9.670 -8.358 -23.148 332 3HG2 VAL 45 3HG2 VAL 45 9.096 -9.740 -24.082 333 H PHE 46 H PHE 46 7.818 -12.600 -21.054 334 HA PHE 46 HA PHE 46 9.321 -13.327 -18.801 335 1HB PHE 46 1HB PHE 46 6.761 -13.113 -19.072 336 2HB PHE 46 2HB PHE 46 6.823 -14.778 -19.640 337 HD1 PHE 46 HD1 PHE 46 6.594 -12.667 -16.811 338 HD2 PHE 46 HD2 PHE 46 7.981 -16.484 -18.086 339 HE1 PHE 46 HE1 PHE 46 6.552 -13.457 -14.481 340 HE2 PHE 46 HE2 PHE 46 7.940 -17.280 -15.758 341 HZ PHE 46 HZ PHE 46 7.224 -15.766 -13.952 342 H LEU 47 H LEU 47 7.966 -15.466 -21.317 343 HA LEU 47 HA LEU 47 9.284 -17.788 -20.497 344 1HB LEU 47 1HB LEU 47 8.141 -16.892 -23.118 345 2HB LEU 47 2HB LEU 47 8.962 -18.445 -22.971 346 HG LEU 47 HG LEU 47 6.775 -17.872 -21.048 347 1HD1 LEU 47 1HD1 LEU 47 5.435 -19.043 -23.133 348 2HD1 LEU 47 2HD1 LEU 47 6.428 -17.831 -23.942 349 3HD1 LEU 47 3HD1 LEU 47 5.320 -17.348 -22.658 350 1HD2 LEU 47 1HD2 LEU 47 6.373 -20.354 -21.912 351 2HD2 LEU 47 2HD2 LEU 47 7.568 -19.969 -20.673 352 3HD2 LEU 47 3HD2 LEU 47 8.076 -20.199 -22.347 353 H LYS 48 H LYS 48 10.451 -15.031 -22.185 354 HA LYS 48 HA LYS 48 12.781 -16.397 -23.251 355 1HB LYS 48 1HB LYS 48 11.881 -14.672 -24.640 356 2HB LYS 48 2HB LYS 48 11.872 -13.520 -23.311 357 1HG LYS 48 1HG LYS 48 14.123 -13.125 -23.454 358 2HG LYS 48 2HG LYS 48 14.467 -14.705 -24.161 359 1HD LYS 48 1HD LYS 48 13.565 -14.019 -26.277 360 2HD LYS 48 2HD LYS 48 12.993 -12.497 -25.591 361 1HE LYS 48 1HE LYS 48 14.933 -11.559 -26.126 362 2HE LYS 48 2HE LYS 48 15.750 -12.667 -25.024 363 1HZ LYS 48 1HZ LYS 48 16.648 -13.716 -26.737 364 2HZ LYS 48 2HZ LYS 48 15.990 -12.556 -27.777 365 3HZ LYS 48 3HZ LYS 48 15.138 -13.981 -27.452 366 H ALA 49 H ALA 49 11.865 -14.638 -20.439 367 HA ALA 49 HA ALA 49 14.582 -13.985 -19.671 368 1HB ALA 49 1HB ALA 49 13.558 -12.432 -18.467 369 2HB ALA 49 2HB ALA 49 11.990 -13.090 -18.938 370 3HB ALA 49 3HB ALA 49 12.797 -13.686 -17.488 371 H LYS 50 H LYS 50 15.645 -14.821 -17.828 372 HA LYS 50 HA LYS 50 14.888 -17.588 -17.224 373 1HB LYS 50 1HB LYS 50 17.424 -16.135 -17.479 374 2HB LYS 50 2HB LYS 50 17.358 -17.200 -16.081 375 1HG LYS 50 1HG LYS 50 17.482 -19.048 -17.332 376 2HG LYS 50 2HG LYS 50 16.376 -18.415 -18.554 377 1HD LYS 50 1HD LYS 50 18.157 -17.126 -19.555 378 2HD LYS 50 2HD LYS 50 19.271 -17.608 -18.273 379 1HE LYS 50 1HE LYS 50 17.952 -19.801 -19.742 380 2HE LYS 50 2HE LYS 50 19.108 -18.841 -20.663 381 1HZ LYS 50 1HZ LYS 50 20.200 -19.444 -18.141 382 2HZ LYS 50 2HZ LYS 50 20.760 -19.900 -19.670 383 3HZ LYS 50 3HZ LYS 50 19.649 -20.878 -18.850 384 H THR 51 H THR 51 15.203 -14.456 -15.798 385 HA THR 51 HA THR 51 14.116 -15.483 -13.302 386 HB THR 51 HB THR 51 15.735 -14.346 -11.888 387 HG1 THR 51 HG1 THR 51 17.535 -13.329 -12.794 388 1HG2 THR 51 1HG2 THR 51 17.113 -16.125 -13.905 389 2HG2 THR 51 2HG2 THR 51 16.187 -16.679 -12.510 390 3HG2 THR 51 3HG2 THR 51 17.680 -15.772 -12.273 391 H ARG 52 H ARG 52 13.595 -13.604 -11.787 392 HA ARG 52 HA ARG 52 11.828 -11.859 -13.008 393 1HB ARG 52 1HB ARG 52 11.596 -10.788 -10.905 394 2HB ARG 52 2HB ARG 52 11.956 -12.473 -10.554 395 1HG ARG 52 1HG ARG 52 14.306 -11.865 -10.154 396 2HG ARG 52 2HG ARG 52 13.897 -10.173 -10.444 397 1HD ARG 52 1HD ARG 52 12.046 -10.810 -8.587 398 2HD ARG 52 2HD ARG 52 13.357 -11.887 -8.107 399 HE ARG 52 HE ARG 52 13.260 -9.061 -7.773 400 1HH1 ARG 52 1HH1 ARG 52 15.416 -11.728 -8.369 401 2HH1 ARG 52 2HH1 ARG 52 16.795 -10.937 -7.680 402 1HH2 ARG 52 1HH2 ARG 52 15.067 -8.009 -6.863 403 2HH2 ARG 52 2HH2 ARG 52 16.595 -8.822 -6.823 404 H ASP 53 H ASP 53 15.252 -11.549 -12.507 405 HA ASP 53 HA ASP 53 15.416 -8.734 -12.911 406 1HB ASP 53 1HB ASP 53 17.166 -10.674 -12.065 407 2HB ASP 53 2HB ASP 53 17.779 -10.300 -13.674 408 H GLU 54 H GLU 54 16.128 -11.512 -15.029 409 HA GLU 54 HA GLU 54 16.824 -10.149 -17.322 410 1HB GLU 54 1HB GLU 54 16.881 -12.646 -16.937 411 2HB GLU 54 2HB GLU 54 15.160 -12.667 -17.297 412 1HG GLU 54 1HG GLU 54 15.477 -12.195 -19.522 413 2HG GLU 54 2HG GLU 54 17.041 -11.431 -19.247 414 H TYR 55 H TYR 55 13.571 -11.137 -16.287 415 HA TYR 55 HA TYR 55 12.211 -10.084 -18.521 416 1HB TYR 55 1HB TYR 55 11.086 -11.694 -17.162 417 2HB TYR 55 2HB TYR 55 11.298 -10.716 -15.714 418 HD1 TYR 55 HD1 TYR 55 9.520 -10.887 -18.960 419 HD2 TYR 55 HD2 TYR 55 9.711 -9.070 -15.118 420 HE1 TYR 55 HE1 TYR 55 7.319 -9.858 -19.344 421 HE2 TYR 55 HE2 TYR 55 7.510 -8.037 -15.490 422 HH TYR 55 HH TYR 55 5.476 -8.934 -18.097 423 H LEU 56 H LEU 56 12.432 -8.788 -15.203 424 HA LEU 56 HA LEU 56 11.193 -6.363 -15.619 425 1HB LEU 56 1HB LEU 56 13.325 -7.284 -13.748 426 2HB LEU 56 2HB LEU 56 12.907 -5.572 -13.798 427 HG LEU 56 HG LEU 56 10.698 -7.530 -13.445 428 1HD1 LEU 56 1HD1 LEU 56 12.951 -7.195 -11.584 429 2HD1 LEU 56 2HD1 LEU 56 11.791 -8.513 -11.743 430 3HD1 LEU 56 3HD1 LEU 56 11.344 -7.047 -10.871 431 1HD2 LEU 56 1HD2 LEU 56 9.625 -5.623 -13.089 432 2HD2 LEU 56 2HD2 LEU 56 11.133 -4.715 -13.210 433 3HD2 LEU 56 3HD2 LEU 56 10.613 -5.359 -11.651 434 H SER 57 H SER 57 14.403 -7.366 -16.528 435 HA SER 57 HA SER 57 15.397 -4.737 -17.064 436 1HB SER 57 1HB SER 57 16.719 -6.941 -16.611 437 2HB SER 57 2HB SER 57 16.512 -7.218 -18.340 438 HG SER 57 HG SER 57 18.012 -5.280 -17.006 439 H LEU 58 H LEU 58 14.445 -7.438 -19.191 440 HA LEU 58 HA LEU 58 14.631 -6.032 -21.601 441 1HB LEU 58 1HB LEU 58 13.159 -8.473 -20.715 442 2HB LEU 58 2HB LEU 58 12.834 -7.797 -22.310 443 HG LEU 58 HG LEU 58 15.675 -8.279 -21.643 444 1HD1 LEU 58 1HD1 LEU 58 15.611 -10.615 -21.933 445 2HD1 LEU 58 2HD1 LEU 58 13.905 -10.593 -22.380 446 3HD1 LEU 58 3HD1 LEU 58 14.385 -10.251 -20.718 447 1HD2 LEU 58 1HD2 LEU 58 15.791 -8.879 -23.957 448 2HD2 LEU 58 2HD2 LEU 58 14.842 -7.398 -23.820 449 3HD2 LEU 58 3HD2 LEU 58 14.032 -8.944 -24.080 450 H VAL 59 H VAL 59 11.979 -6.353 -19.305 451 HA VAL 59 HA VAL 59 9.966 -5.175 -20.885 452 HB VAL 59 HB VAL 59 10.231 -5.217 -17.876 453 1HG1 VAL 59 1HG1 VAL 59 7.550 -5.182 -18.503 454 2HG1 VAL 59 2HG1 VAL 59 8.497 -3.810 -17.923 455 3HG1 VAL 59 3HG1 VAL 59 8.248 -4.044 -19.654 456 1HG2 VAL 59 1HG2 VAL 59 8.289 -6.986 -19.153 457 2HG2 VAL 59 2HG2 VAL 59 9.963 -7.352 -19.574 458 3HG2 VAL 59 3HG2 VAL 59 9.465 -7.322 -17.882 459 H ALA 60 H ALA 60 11.884 -3.744 -18.236 460 HA ALA 60 HA ALA 60 11.002 -1.145 -18.408 461 1HB ALA 60 1HB ALA 60 12.374 -1.406 -16.615 462 2HB ALA 60 2HB ALA 60 13.521 -2.415 -17.497 463 3HB ALA 60 3HB ALA 60 13.527 -0.667 -17.726 464 H ARG 61 H ARG 61 13.869 -2.484 -20.062 465 HA ARG 61 HA ARG 61 14.619 -0.263 -21.502 466 1HB ARG 61 1HB ARG 61 14.817 -3.202 -22.060 467 2HB ARG 61 2HB ARG 61 15.362 -2.041 -23.263 468 1HG ARG 61 1HG ARG 61 17.157 -1.396 -22.035 469 2HG ARG 61 2HG ARG 61 16.349 -1.691 -20.494 470 1HD ARG 61 1HD ARG 61 17.494 -3.591 -20.348 471 2HD ARG 61 2HD ARG 61 16.544 -4.195 -21.705 472 HE ARG 61 HE ARG 61 18.553 -2.779 -22.876 473 1HH1 ARG 61 1HH1 ARG 61 18.419 -5.390 -20.577 474 2HH1 ARG 61 2HH1 ARG 61 19.927 -6.081 -21.076 475 1HH2 ARG 61 1HH2 ARG 61 20.540 -3.679 -23.542 476 2HH2 ARG 61 2HH2 ARG 61 21.134 -5.106 -22.762 477 H LEU 62 H LEU 62 12.216 -2.717 -22.384 478 HA LEU 62 HA LEU 62 11.610 -1.763 -24.941 479 1HB LEU 62 1HB LEU 62 10.869 -3.929 -24.215 480 2HB LEU 62 2HB LEU 62 9.899 -3.213 -22.930 481 HG LEU 62 HG LEU 62 9.135 -2.257 -25.571 482 1HD1 LEU 62 1HD1 LEU 62 9.266 -5.193 -25.040 483 2HD1 LEU 62 2HD1 LEU 62 9.614 -4.303 -26.521 484 3HD1 LEU 62 3HD1 LEU 62 7.944 -4.525 -25.997 485 1HD2 LEU 62 1HD2 LEU 62 7.666 -1.813 -23.817 486 2HD2 LEU 62 2HD2 LEU 62 7.801 -3.446 -23.163 487 3HD2 LEU 62 3HD2 LEU 62 6.911 -3.165 -24.660 488 H ILE 63 H ILE 63 9.919 -1.137 -21.865 489 HA ILE 63 HA ILE 63 8.049 0.681 -22.855 490 HB ILE 63 HB ILE 63 9.257 0.350 -20.121 491 1HG1 ILE 63 1HG1 ILE 63 6.457 -0.132 -21.158 492 2HG1 ILE 63 2HG1 ILE 63 7.692 -1.378 -21.015 493 1HG2 ILE 63 1HG2 ILE 63 7.064 1.838 -19.628 494 2HG2 ILE 63 2HG2 ILE 63 8.691 2.502 -19.770 495 3HG2 ILE 63 3HG2 ILE 63 7.595 2.550 -21.151 496 1HD1 ILE 63 1HD1 ILE 63 6.333 0.145 -18.817 497 2HD1 ILE 63 2HD1 ILE 63 6.308 -1.591 -19.127 498 3HD1 ILE 63 3HD1 ILE 63 7.787 -0.817 -18.559 499 H ILE 64 H ILE 64 11.222 1.303 -21.368 500 HA ILE 64 HA ILE 64 11.190 4.079 -21.490 501 HB ILE 64 HB ILE 64 13.519 2.175 -21.718 502 1HG1 ILE 64 1HG1 ILE 64 13.206 3.855 -19.333 503 2HG1 ILE 64 2HG1 ILE 64 11.880 2.725 -19.581 504 1HG2 ILE 64 1HG2 ILE 64 13.466 5.171 -21.501 505 2HG2 ILE 64 2HG2 ILE 64 14.862 4.210 -21.016 506 3HG2 ILE 64 3HG2 ILE 64 14.304 4.172 -22.688 507 1HD1 ILE 64 1HD1 ILE 64 13.160 1.258 -18.510 508 2HD1 ILE 64 2HD1 ILE 64 14.096 1.167 -20.003 509 3HD1 ILE 64 3HD1 ILE 64 14.607 2.247 -18.706 510 H HIS 65 H HIS 65 12.318 1.742 -23.914 511 HA HIS 65 HA HIS 65 13.262 3.576 -25.801 512 1HB HIS 65 1HB HIS 65 13.126 0.843 -25.642 513 2HB HIS 65 2HB HIS 65 11.976 1.187 -26.931 514 HD1 HIS 65 HD1 HIS 65 15.608 1.251 -26.124 515 HD2 HIS 65 HD2 HIS 65 13.104 2.267 -29.280 516 HE1 HIS 65 HE1 HIS 65 17.126 1.613 -28.096 517 H PHE 66 H PHE 66 10.023 2.409 -25.135 518 HA PHE 66 HA PHE 66 8.811 3.439 -27.487 519 1HB PHE 66 1HB PHE 66 7.833 2.399 -24.865 520 2HB PHE 66 2HB PHE 66 6.714 3.316 -25.868 521 HD1 PHE 66 HD1 PHE 66 6.812 2.555 -28.453 522 HD2 PHE 66 HD2 PHE 66 7.777 0.127 -25.093 523 HE1 PHE 66 HE1 PHE 66 6.349 0.537 -29.782 524 HE2 PHE 66 HE2 PHE 66 7.317 -1.895 -26.417 525 HZ PHE 66 HZ PHE 66 6.603 -1.691 -28.766 526 H ARG 67 H ARG 67 9.110 4.676 -24.174 527 HA ARG 67 HA ARG 67 7.621 7.019 -24.509 528 1HB ARG 67 1HB ARG 67 9.933 6.387 -22.673 529 2HB ARG 67 2HB ARG 67 9.005 7.878 -22.577 530 1HG ARG 67 1HG ARG 67 7.240 6.875 -21.607 531 2HG ARG 67 2HG ARG 67 7.428 5.394 -22.548 532 1HD ARG 67 1HD ARG 67 8.082 4.556 -20.554 533 2HD ARG 67 2HD ARG 67 9.634 5.244 -21.030 534 HE ARG 67 HE ARG 67 8.040 7.132 -19.618 535 1HH1 ARG 67 1HH1 ARG 67 10.097 4.355 -19.199 536 2HH1 ARG 67 2HH1 ARG 67 10.567 4.782 -17.587 537 1HH2 ARG 67 1HH2 ARG 67 8.650 7.705 -17.496 538 2HH2 ARG 67 2HH2 ARG 67 9.742 6.688 -16.619 539 H ASP 68 H ASP 68 11.005 6.309 -25.179 540 HA ASP 68 HA ASP 68 11.822 8.966 -25.697 541 1HB ASP 68 1HB ASP 68 13.144 6.632 -25.428 542 2HB ASP 68 2HB ASP 68 13.149 6.772 -27.184 543 H ILE 69 H ILE 69 10.828 6.337 -27.881 544 HA ILE 69 HA ILE 69 11.112 7.622 -30.304 545 HB ILE 69 HB ILE 69 8.923 5.695 -29.517 546 1HG1 ILE 69 1HG1 ILE 69 11.313 4.908 -31.114 547 2HG1 ILE 69 2HG1 ILE 69 11.532 5.159 -29.386 548 1HG2 ILE 69 1HG2 ILE 69 8.077 6.083 -31.536 549 2HG2 ILE 69 2HG2 ILE 69 9.434 7.123 -31.968 550 3HG2 ILE 69 3HG2 ILE 69 9.545 5.381 -32.215 551 1HD1 ILE 69 1HD1 ILE 69 9.298 3.595 -29.459 552 2HD1 ILE 69 2HD1 ILE 69 10.240 2.976 -30.815 553 3HD1 ILE 69 3HD1 ILE 69 10.945 3.021 -29.200 554 H HIS 70 H HIS 70 8.313 7.680 -28.119 555 HA HIS 70 HA HIS 70 6.627 9.240 -29.718 556 1HB HIS 70 1HB HIS 70 6.091 7.958 -27.549 557 2HB HIS 70 2HB HIS 70 6.656 9.401 -26.712 558 HD1 HIS 70 HD1 HIS 70 4.526 10.351 -25.827 559 HD2 HIS 70 HD2 HIS 70 4.264 9.372 -29.856 560 HE1 HIS 70 HE1 HIS 70 2.296 11.231 -26.589 561 H ASN 71 H ASN 71 8.688 10.278 -26.996 562 HA ASN 71 HA ASN 71 8.249 13.006 -27.196 563 1HB ASN 71 1HB ASN 71 9.655 11.535 -25.494 564 2HB ASN 71 2HB ASN 71 10.995 12.052 -26.514 565 1HD2 ASN 71 1HD2 ASN 71 11.929 13.301 -24.930 566 2HD2 ASN 71 2HD2 ASN 71 11.239 14.787 -24.383 567 H LYS 72 H LYS 72 10.248 10.925 -29.141 568 HA LYS 72 HA LYS 72 11.920 12.850 -30.317 569 1HB LYS 72 1HB LYS 72 11.648 10.128 -30.500 570 2HB LYS 72 2HB LYS 72 11.085 10.654 -32.081 571 1HG LYS 72 1HG LYS 72 13.134 11.349 -32.734 572 2HG LYS 72 2HG LYS 72 13.601 11.858 -31.109 573 1HD LYS 72 1HD LYS 72 14.962 10.020 -31.450 574 2HD LYS 72 2HD LYS 72 13.591 9.306 -30.597 575 1HE LYS 72 1HE LYS 72 13.949 7.836 -32.363 576 2HE LYS 72 2HE LYS 72 12.640 8.861 -32.948 577 1HZ LYS 72 1HZ LYS 72 15.187 9.948 -33.606 578 2HZ LYS 72 2HZ LYS 72 13.892 9.560 -34.623 579 3HZ LYS 72 3HZ LYS 72 15.026 8.375 -34.209 580 H LYS 73 H LYS 73 11.644 12.762 -33.009 581 HA LYS 73 HA LYS 73 9.862 14.796 -33.589 582 1HB LYS 73 1HB LYS 73 11.821 13.533 -34.970 583 2HB LYS 73 2HB LYS 73 10.402 12.903 -35.795 584 1HG LYS 73 1HG LYS 73 10.377 14.751 -37.012 585 2HG LYS 73 2HG LYS 73 9.952 15.647 -35.552 586 1HD LYS 73 1HD LYS 73 12.536 15.583 -35.127 587 2HD LYS 73 2HD LYS 73 12.611 15.304 -36.868 588 1HE LYS 73 1HE LYS 73 10.864 17.505 -35.939 589 2HE LYS 73 2HE LYS 73 12.602 17.748 -35.773 590 1HZ LYS 73 1HZ LYS 73 11.047 17.279 -38.242 591 2HZ LYS 73 2HZ LYS 73 12.721 17.044 -38.193 592 3HZ LYS 73 3HZ LYS 73 12.072 18.573 -37.874 593 H SER 74 H SER 74 7.752 14.627 -33.081 594 HA SER 74 HA SER 74 5.990 13.199 -34.715 595 1HB SER 74 1HB SER 74 7.065 11.637 -32.565 596 2HB SER 74 2HB SER 74 5.346 11.902 -32.275 597 HG SER 74 HG SER 74 4.909 11.036 -34.305 598 H GLN 75 H GLN 75 3.946 13.977 -34.507 599 HA GLN 75 HA GLN 75 3.542 16.258 -32.866 600 1HB GLN 75 1HB GLN 75 2.479 15.599 -35.167 601 2HB GLN 75 2HB GLN 75 1.276 14.795 -34.167 602 1HG GLN 75 1HG GLN 75 0.987 17.007 -32.976 603 2HG GLN 75 2HG GLN 75 1.946 17.718 -34.274 604 1HE2 GLN 75 1HE2 GLN 75 1.144 17.087 -36.517 605 2HE2 GLN 75 2HE2 GLN 75 -0.564 17.168 -36.762 606 H ALA 76 H ALA 76 2.902 16.356 -30.824 607 HA ALA 76 HA ALA 76 0.892 14.647 -29.741 608 1HB ALA 76 1HB ALA 76 2.447 13.768 -27.899 609 2HB ALA 76 2HB ALA 76 2.506 12.984 -29.478 610 3HB ALA 76 3HB ALA 76 3.757 14.140 -29.019 611 H SER 77 H SER 77 3.729 16.106 -28.175 612 HA SER 77 HA SER 77 2.416 18.499 -27.414 613 1HB SER 77 1HB SER 77 2.124 16.159 -25.651 614 2HB SER 77 2HB SER 77 2.705 17.614 -24.841 615 HG SER 77 HG SER 77 0.381 17.408 -24.931 616 H VAL 78 H VAL 78 4.623 16.319 -25.659 617 HA VAL 78 HA VAL 78 6.672 18.431 -25.809 618 HB VAL 78 HB VAL 78 7.672 17.372 -23.792 619 1HG1 VAL 78 1HG1 VAL 78 6.296 18.488 -22.292 620 2HG1 VAL 78 2HG1 VAL 78 5.921 19.277 -23.826 621 3HG1 VAL 78 3HG1 VAL 78 4.826 18.061 -23.167 622 1HG2 VAL 78 1HG2 VAL 78 6.335 15.171 -24.354 623 2HG2 VAL 78 2HG2 VAL 78 6.750 15.588 -22.691 624 3HG2 VAL 78 3HG2 VAL 78 5.127 15.909 -23.301 Start of MODEL 3 1 1H GLY 2 HT1 GLY 2 5.915 4.028 -7.147 2 1HA GLY 2 1HA GLY 2 4.251 2.842 -5.942 3 2HA GLY 2 2HA GLY 2 3.934 1.880 -7.379 4 H ALA 3 H ALA 3 6.768 2.576 -5.324 5 HA ALA 3 HA ALA 3 7.496 -0.258 -5.486 6 1HB ALA 3 1HB ALA 3 9.479 1.127 -4.075 7 2HB ALA 3 2HB ALA 3 9.541 0.565 -5.746 8 3HB ALA 3 3HB ALA 3 8.981 2.198 -5.385 9 H MET 4 H MET 4 5.994 -1.102 -4.008 10 HA MET 4 HA MET 4 6.717 -0.634 -1.210 11 1HB MET 4 1HB MET 4 3.919 -0.551 -2.335 12 2HB MET 4 2HB MET 4 4.256 -0.783 -0.624 13 1HG MET 4 1HG MET 4 4.077 1.439 -0.520 14 2HG MET 4 2HG MET 4 5.729 1.424 -1.133 15 1HE MET 4 1HE MET 4 4.939 4.229 -3.460 16 2HE MET 4 2HE MET 4 5.245 3.913 -1.752 17 3HE MET 4 3HE MET 4 6.271 3.176 -2.984 18 H GLY 5 H GLY 5 7.801 -2.715 -2.213 19 1HA GLY 5 1HA GLY 5 7.054 -4.921 -0.839 20 2HA GLY 5 2HA GLY 5 6.071 -5.030 -2.292 21 H GLN 6 H GLN 6 8.280 -6.737 -1.278 22 HA GLN 6 HA GLN 6 9.684 -6.978 -3.792 23 1HB GLN 6 1HB GLN 6 10.912 -5.692 -1.525 24 2HB GLN 6 2HB GLN 6 11.767 -7.180 -1.910 25 1HG GLN 6 1HG GLN 6 12.702 -6.289 -3.712 26 2HG GLN 6 2HG GLN 6 11.164 -5.644 -4.285 27 1HE2 GLN 6 1HE2 GLN 6 14.166 -4.775 -3.491 28 2HE2 GLN 6 2HE2 GLN 6 13.897 -3.159 -2.944 29 H GLU 7 H GLU 7 9.299 -9.051 -4.216 30 HA GLU 7 HA GLU 7 9.847 -11.022 -2.098 31 1HB GLU 7 1HB GLU 7 7.750 -11.403 -4.228 32 2HB GLU 7 2HB GLU 7 8.002 -12.357 -2.774 33 1HG GLU 7 1HG GLU 7 6.181 -11.117 -2.174 34 2HG GLU 7 2HG GLU 7 7.489 -10.111 -1.554 35 H THR 8 H THR 8 10.131 -13.281 -3.095 36 HA THR 8 HA THR 8 11.964 -13.007 -5.376 37 HB THR 8 HB THR 8 11.898 -15.534 -3.820 38 HG1 THR 8 HG1 THR 8 13.320 -14.455 -2.243 39 1HG2 THR 8 1HG2 THR 8 13.847 -15.794 -4.867 40 2HG2 THR 8 2HG2 THR 8 14.471 -14.320 -4.126 41 3HG2 THR 8 3HG2 THR 8 13.605 -14.238 -5.660 42 H ASP 9 H ASP 9 9.009 -13.259 -5.539 43 HA ASP 9 HA ASP 9 8.933 -15.676 -7.219 44 1HB ASP 9 1HB ASP 9 6.588 -14.639 -5.621 45 2HB ASP 9 2HB ASP 9 6.678 -16.141 -6.536 46 H TRP 10 H TRP 10 9.643 -13.761 -8.669 47 HA TRP 10 HA TRP 10 7.838 -11.775 -9.452 48 1HB TRP 10 1HB TRP 10 9.210 -11.503 -11.417 49 2HB TRP 10 2HB TRP 10 10.262 -11.850 -10.048 50 HD1 TRP 10 HD1 TRP 10 10.865 -14.669 -9.876 51 HE1 TRP 10 HE1 TRP 10 11.639 -16.171 -11.818 52 HE3 TRP 10 HE3 TRP 10 9.190 -11.852 -13.800 53 HZ2 TRP 10 HZ2 TRP 10 11.551 -16.163 -14.639 54 HZ3 TRP 10 HZ3 TRP 10 9.575 -12.670 -16.089 55 HH2 TRP 10 HH2 TRP 10 10.732 -14.781 -16.497 56 H ARG 11 H ARG 11 7.854 -15.151 -10.070 57 HA ARG 11 HA ARG 11 6.359 -15.139 -12.490 58 1HB ARG 11 1HB ARG 11 6.511 -17.336 -10.421 59 2HB ARG 11 2HB ARG 11 6.057 -17.508 -12.111 60 1HG ARG 11 1HG ARG 11 8.351 -16.764 -12.733 61 2HG ARG 11 2HG ARG 11 8.770 -16.805 -11.019 62 1HD ARG 11 1HD ARG 11 7.514 -19.263 -11.658 63 2HD ARG 11 2HD ARG 11 8.722 -18.943 -12.902 64 HE ARG 11 HE ARG 11 10.378 -19.243 -11.337 65 1HH1 ARG 11 1HH1 ARG 11 7.294 -18.986 -9.743 66 2HH1 ARG 11 2HH1 ARG 11 7.907 -19.466 -8.195 67 1HH2 ARG 11 1HH2 ARG 11 11.197 -19.876 -9.305 68 2HH2 ARG 11 2HH2 ARG 11 10.128 -19.971 -7.947 69 H SER 12 H SER 12 5.532 -14.356 -9.335 70 HA SER 12 HA SER 12 2.984 -15.393 -8.982 71 1HB SER 12 1HB SER 12 3.755 -14.285 -7.104 72 2HB SER 12 2HB SER 12 4.370 -12.918 -8.034 73 HG SER 12 HG SER 12 2.536 -11.956 -7.732 74 H THR 13 H THR 13 0.953 -14.830 -9.629 75 HA THR 13 HA THR 13 0.551 -13.722 -12.134 76 HB THR 13 HB THR 13 -1.583 -13.565 -10.023 77 HG1 THR 13 HG1 THR 13 -0.734 -15.922 -11.388 78 1HG2 THR 13 1HG2 THR 13 -1.542 -14.156 -12.981 79 2HG2 THR 13 2HG2 THR 13 -2.254 -12.761 -12.169 80 3HG2 THR 13 3HG2 THR 13 -2.969 -14.360 -11.965 81 H ALA 14 H ALA 14 0.125 -12.187 -8.954 82 HA ALA 14 HA ALA 14 -0.810 -9.714 -9.777 83 1HB ALA 14 1HB ALA 14 1.104 -9.590 -7.563 84 2HB ALA 14 2HB ALA 14 -0.598 -9.130 -7.623 85 3HB ALA 14 3HB ALA 14 -0.148 -10.818 -7.381 86 H PHE 15 H PHE 15 2.511 -10.901 -9.597 87 HA PHE 15 HA PHE 15 3.808 -8.464 -10.125 88 1HB PHE 15 1HB PHE 15 4.739 -10.811 -9.380 89 2HB PHE 15 2HB PHE 15 4.941 -11.052 -11.112 90 HD1 PHE 15 HD1 PHE 15 6.172 -9.108 -12.367 91 HD2 PHE 15 HD2 PHE 15 6.443 -9.840 -8.183 92 HE1 PHE 15 HE1 PHE 15 8.297 -7.870 -12.291 93 HE2 PHE 15 HE2 PHE 15 8.568 -8.603 -8.100 94 HZ PHE 15 HZ PHE 15 9.497 -7.615 -10.156 95 H ARG 16 H ARG 16 3.473 -11.190 -12.401 96 HA ARG 16 HA ARG 16 4.129 -9.781 -14.697 97 1HB ARG 16 1HB ARG 16 3.900 -12.283 -14.447 98 2HB ARG 16 2HB ARG 16 2.161 -12.067 -14.590 99 1HG ARG 16 1HG ARG 16 2.430 -11.144 -16.815 100 2HG ARG 16 2HG ARG 16 4.185 -11.271 -16.672 101 1HD ARG 16 1HD ARG 16 3.953 -13.271 -17.641 102 2HD ARG 16 2HD ARG 16 3.347 -13.813 -16.076 103 HE ARG 16 HE ARG 16 1.286 -12.691 -17.699 104 1HH1 ARG 16 1HH1 ARG 16 3.173 -15.563 -17.143 105 2HH1 ARG 16 2HH1 ARG 16 1.972 -16.634 -17.785 106 1HH2 ARG 16 1HH2 ARG 16 -0.303 -14.091 -18.547 107 2HH2 ARG 16 2HH2 ARG 16 -0.004 -15.795 -18.584 108 H GLN 17 H GLN 17 0.995 -10.197 -13.131 109 HA GLN 17 HA GLN 17 -0.653 -9.144 -15.107 110 1HB GLN 17 1HB GLN 17 -1.490 -10.250 -13.078 111 2HB GLN 17 2HB GLN 17 -0.950 -8.885 -12.110 112 1HG GLN 17 1HG GLN 17 -2.888 -8.503 -14.356 113 2HG GLN 17 2HG GLN 17 -3.429 -9.045 -12.768 114 1HE2 GLN 17 1HE2 GLN 17 -2.731 -7.675 -10.923 115 2HE2 GLN 17 2HE2 GLN 17 -2.715 -5.964 -11.156 116 H LYS 18 H LYS 18 0.577 -7.389 -12.252 117 HA LYS 18 HA LYS 18 -0.226 -4.852 -12.967 118 1HB LYS 18 1HB LYS 18 1.898 -5.966 -11.231 119 2HB LYS 18 2HB LYS 18 2.093 -4.283 -11.704 120 1HG LYS 18 1HG LYS 18 0.163 -3.617 -10.609 121 2HG LYS 18 2HG LYS 18 -0.504 -5.251 -10.581 122 1HD LYS 18 1HD LYS 18 1.628 -5.737 -9.114 123 2HD LYS 18 2HD LYS 18 1.546 -3.999 -8.815 124 1HE LYS 18 1HE LYS 18 -0.594 -4.163 -7.849 125 2HE LYS 18 2HE LYS 18 -0.841 -5.792 -8.475 126 1HZ LYS 18 1HZ LYS 18 1.077 -6.458 -7.010 127 2HZ LYS 18 2HZ LYS 18 -0.350 -6.033 -6.207 128 3HZ LYS 18 3HZ LYS 18 0.942 -4.942 -6.270 129 H LEU 19 H LEU 19 2.853 -6.449 -13.748 130 HA LEU 19 HA LEU 19 4.018 -4.330 -15.152 131 1HB LEU 19 1HB LEU 19 4.373 -7.293 -15.168 132 2HB LEU 19 2HB LEU 19 5.190 -6.318 -16.388 133 HG LEU 19 HG LEU 19 6.308 -6.998 -14.053 134 1HD1 LEU 19 1HD1 LEU 19 6.663 -4.454 -15.619 135 2HD1 LEU 19 2HD1 LEU 19 7.537 -5.973 -15.809 136 3HD1 LEU 19 3HD1 LEU 19 7.779 -4.992 -14.364 137 1HD2 LEU 19 1HD2 LEU 19 4.572 -5.768 -12.774 138 2HD2 LEU 19 2HD2 LEU 19 5.133 -4.273 -13.523 139 3HD2 LEU 19 3HD2 LEU 19 6.211 -5.192 -12.472 140 H VAL 20 H VAL 20 1.917 -6.954 -16.262 141 HA VAL 20 HA VAL 20 2.041 -6.490 -19.003 142 HB VAL 20 HB VAL 20 -0.093 -7.637 -17.236 143 1HG1 VAL 20 1HG1 VAL 20 -1.051 -8.331 -19.616 144 2HG1 VAL 20 2HG1 VAL 20 -1.570 -6.863 -18.785 145 3HG1 VAL 20 3HG1 VAL 20 -0.355 -6.773 -20.061 146 1HG2 VAL 20 1HG2 VAL 20 0.660 -9.394 -19.278 147 2HG2 VAL 20 2HG2 VAL 20 2.151 -8.615 -18.749 148 3HG2 VAL 20 3HG2 VAL 20 1.135 -9.459 -17.581 149 H SER 21 H SER 21 -0.056 -5.030 -16.549 150 HA SER 21 HA SER 21 -1.664 -3.531 -18.298 151 1HB SER 21 1HB SER 21 -0.934 -2.639 -15.513 152 2HB SER 21 2HB SER 21 -2.447 -2.385 -16.382 153 HG SER 21 HG SER 21 -2.321 -4.126 -14.702 154 H GLN 22 H GLN 22 1.369 -2.750 -16.651 155 HA GLN 22 HA GLN 22 1.548 -0.057 -17.338 156 1HB GLN 22 1HB GLN 22 3.796 -2.054 -17.028 157 2HB GLN 22 2HB GLN 22 3.974 -0.305 -16.997 158 1HG GLN 22 1HG GLN 22 2.729 -2.111 -14.970 159 2HG GLN 22 2HG GLN 22 3.981 -0.888 -14.760 160 1HE2 GLN 22 1HE2 GLN 22 0.869 -1.574 -14.112 161 2HE2 GLN 22 2HE2 GLN 22 0.226 0.023 -13.975 162 H ILE 23 H ILE 23 2.875 -2.884 -19.050 163 HA ILE 23 HA ILE 23 3.985 -1.489 -21.207 164 HB ILE 23 HB ILE 23 2.926 -4.309 -21.049 165 1HG1 ILE 23 1HG1 ILE 23 5.758 -3.245 -21.070 166 2HG1 ILE 23 2HG1 ILE 23 4.880 -3.713 -19.618 167 1HG2 ILE 23 1HG2 ILE 23 4.734 -4.277 -23.109 168 2HG2 ILE 23 2HG2 ILE 23 2.980 -4.295 -23.283 169 3HG2 ILE 23 3HG2 ILE 23 3.855 -2.766 -23.342 170 1HD1 ILE 23 1HD1 ILE 23 5.116 -5.924 -20.025 171 2HD1 ILE 23 2HD1 ILE 23 5.076 -5.721 -21.777 172 3HD1 ILE 23 3HD1 ILE 23 6.546 -5.345 -20.879 173 H GLU 24 H GLU 24 0.721 -2.660 -20.639 174 HA GLU 24 HA GLU 24 -0.229 -2.204 -23.283 175 1HB GLU 24 1HB GLU 24 -1.216 -3.507 -21.106 176 2HB GLU 24 2HB GLU 24 -2.184 -2.040 -21.082 177 1HG GLU 24 1HG GLU 24 -1.946 -3.312 -23.712 178 2HG GLU 24 2HG GLU 24 -2.787 -4.269 -22.493 179 H ASP 25 H ASP 25 0.100 -0.231 -20.428 180 HA ASP 25 HA ASP 25 -1.613 1.879 -21.299 181 1HB ASP 25 1HB ASP 25 -0.940 1.422 -18.908 182 2HB ASP 25 2HB ASP 25 0.646 2.079 -19.304 183 H ALA 26 H ALA 26 1.930 1.528 -21.170 184 HA ALA 26 HA ALA 26 2.581 3.964 -22.362 185 1HB ALA 26 1HB ALA 26 4.429 2.994 -21.455 186 2HB ALA 26 2HB ALA 26 3.977 1.373 -21.985 187 3HB ALA 26 3HB ALA 26 4.665 2.518 -23.137 188 H MET 27 H MET 27 1.959 0.797 -23.831 189 HA MET 27 HA MET 27 2.574 1.515 -26.479 190 1HB MET 27 1HB MET 27 1.473 -0.753 -25.107 191 2HB MET 27 2HB MET 27 0.515 -0.422 -26.544 192 1HG MET 27 1HG MET 27 2.943 -0.234 -27.620 193 2HG MET 27 2HG MET 27 3.313 -1.332 -26.293 194 1HE MET 27 1HE MET 27 0.057 -2.710 -26.386 195 2HE MET 27 2HE MET 27 0.742 -4.224 -26.973 196 3HE MET 27 3HE MET 27 1.586 -3.297 -25.732 197 H ARG 28 H ARG 28 -0.495 1.540 -24.698 198 HA ARG 28 HA ARG 28 -2.227 2.229 -26.730 199 1HB ARG 28 1HB ARG 28 -3.129 1.706 -24.594 200 2HB ARG 28 2HB ARG 28 -2.213 2.988 -23.814 201 1HG ARG 28 1HG ARG 28 -3.818 4.474 -24.182 202 2HG ARG 28 2HG ARG 28 -3.934 4.031 -25.886 203 1HD ARG 28 1HD ARG 28 -5.422 2.224 -25.380 204 2HD ARG 28 2HD ARG 28 -5.175 2.441 -23.648 205 HE ARG 28 HE ARG 28 -6.209 4.795 -24.876 206 1HH1 ARG 28 1HH1 ARG 28 -7.092 1.647 -23.680 207 2HH1 ARG 28 2HH1 ARG 28 -8.732 2.091 -23.344 208 1HH2 ARG 28 1HH2 ARG 28 -8.367 5.392 -24.438 209 2HH2 ARG 28 2HH2 ARG 28 -9.457 4.221 -23.776 210 H LYS 29 H LYS 29 -0.480 4.468 -24.574 211 HA LYS 29 HA LYS 29 -1.290 6.783 -26.042 212 1HB LYS 29 1HB LYS 29 -0.163 6.297 -23.545 213 2HB LYS 29 2HB LYS 29 1.106 7.135 -24.428 214 1HG LYS 29 1HG LYS 29 -1.090 8.640 -25.029 215 2HG LYS 29 2HG LYS 29 -1.424 8.135 -23.371 216 1HD LYS 29 1HD LYS 29 0.917 8.898 -22.801 217 2HD LYS 29 2HD LYS 29 0.976 9.631 -24.406 218 1HE LYS 29 1HE LYS 29 -0.819 11.099 -23.891 219 2HE LYS 29 2HE LYS 29 -1.192 10.227 -22.404 220 1HZ LYS 29 1HZ LYS 29 0.489 12.411 -22.707 221 2HZ LYS 29 2HZ LYS 29 1.492 11.096 -22.355 222 3HZ LYS 29 3HZ LYS 29 0.228 11.500 -21.306 223 H ALA 30 H ALA 30 1.289 4.510 -26.303 224 HA ALA 30 HA ALA 30 3.115 6.171 -27.733 225 1HB ALA 30 1HB ALA 30 3.910 4.214 -26.557 226 2HB ALA 30 2HB ALA 30 2.912 3.167 -27.568 227 3HB ALA 30 3HB ALA 30 4.258 4.056 -28.279 228 H GLY 31 H GLY 31 0.310 4.332 -28.595 229 1HA GLY 31 1HA GLY 31 -0.809 4.099 -30.586 230 2HA GLY 31 2HA GLY 31 0.127 5.470 -31.162 231 H VAL 32 H VAL 32 0.263 1.965 -30.667 232 HA VAL 32 HA VAL 32 1.854 1.758 -33.120 233 HB VAL 32 HB VAL 32 3.292 0.032 -32.107 234 1HG1 VAL 32 1HG1 VAL 32 3.723 2.294 -30.270 235 2HG1 VAL 32 2HG1 VAL 32 4.816 1.555 -31.443 236 3HG1 VAL 32 3HG1 VAL 32 3.595 2.710 -31.979 237 1HG2 VAL 32 1HG2 VAL 32 2.693 0.811 -29.348 238 2HG2 VAL 32 2HG2 VAL 32 1.408 -0.100 -30.140 239 3HG2 VAL 32 3HG2 VAL 32 3.031 -0.779 -30.030 240 H ALA 33 H ALA 33 1.968 -0.560 -33.883 241 HA ALA 33 HA ALA 33 0.204 -2.537 -32.978 242 1HB ALA 33 1HB ALA 33 -1.263 -2.087 -35.253 243 2HB ALA 33 2HB ALA 33 -1.768 -1.697 -33.608 244 3HB ALA 33 3HB ALA 33 -1.019 -0.460 -34.618 245 H HIS 34 H HIS 34 1.961 -3.837 -33.494 246 HA HIS 34 HA HIS 34 1.986 -4.916 -36.115 247 1HB HIS 34 1HB HIS 34 4.454 -4.375 -36.530 248 2HB HIS 34 2HB HIS 34 3.294 -3.081 -36.815 249 HD1 HIS 34 HD1 HIS 34 5.110 -1.280 -36.438 250 HD2 HIS 34 HD2 HIS 34 4.447 -3.740 -33.156 251 HE1 HIS 34 HE1 HIS 34 6.263 -0.153 -34.508 252 H SER 35 H SER 35 1.497 -6.543 -34.369 253 HA SER 35 HA SER 35 3.639 -8.328 -34.088 254 1HB SER 35 1HB SER 35 3.359 -6.361 -31.936 255 2HB SER 35 2HB SER 35 3.324 -8.028 -31.363 256 HG SER 35 HG SER 35 5.400 -8.011 -31.610 257 H LYS 36 H LYS 36 1.128 -7.510 -31.709 258 HA LYS 36 HA LYS 36 -0.795 -9.345 -32.626 259 1HB LYS 36 1HB LYS 36 1.258 -10.745 -31.619 260 2HB LYS 36 2HB LYS 36 0.381 -10.438 -30.126 261 1HG LYS 36 1HG LYS 36 -1.535 -11.577 -30.902 262 2HG LYS 36 2HG LYS 36 -0.927 -11.620 -32.558 263 1HD LYS 36 1HD LYS 36 0.629 -13.277 -32.076 264 2HD LYS 36 2HD LYS 36 0.606 -12.932 -30.345 265 1HE LYS 36 1HE LYS 36 -0.726 -14.730 -30.213 266 2HE LYS 36 2HE LYS 36 -1.984 -13.643 -30.800 267 1HZ LYS 36 1HZ LYS 36 -0.268 -15.139 -32.680 268 2HZ LYS 36 2HZ LYS 36 -1.793 -14.460 -32.950 269 3HZ LYS 36 3HZ LYS 36 -1.645 -15.854 -32.003 270 H SER 37 H SER 37 0.443 -8.644 -29.357 271 HA SER 37 HA SER 37 -1.354 -6.601 -28.735 272 1HB SER 37 1HB SER 37 -3.200 -8.058 -28.877 273 2HB SER 37 2HB SER 37 -2.322 -9.385 -28.116 274 HG SER 37 HG SER 37 -3.367 -8.687 -26.413 275 H SER 38 H SER 38 -1.380 -6.076 -26.423 276 HA SER 38 HA SER 38 1.119 -6.155 -25.259 277 1HB SER 38 1HB SER 38 0.066 -5.339 -23.224 278 2HB SER 38 2HB SER 38 -0.702 -4.586 -24.621 279 HG SER 38 HG SER 38 -1.733 -6.362 -22.773 280 H LYS 39 H LYS 39 -1.705 -8.144 -24.385 281 HA LYS 39 HA LYS 39 -0.577 -9.675 -22.391 282 1HB LYS 39 1HB LYS 39 -2.841 -9.939 -24.227 283 2HB LYS 39 2HB LYS 39 -2.183 -11.487 -23.716 284 1HG LYS 39 1HG LYS 39 -3.386 -11.302 -21.868 285 2HG LYS 39 2HG LYS 39 -2.342 -9.962 -21.387 286 1HD LYS 39 1HD LYS 39 -3.847 -8.431 -22.662 287 2HD LYS 39 2HD LYS 39 -4.932 -9.799 -22.924 288 1HE LYS 39 1HE LYS 39 -4.059 -8.924 -20.182 289 2HE LYS 39 2HE LYS 39 -5.480 -8.253 -20.982 290 1HZ LYS 39 1HZ LYS 39 -5.022 -11.015 -20.050 291 2HZ LYS 39 2HZ LYS 39 -6.171 -10.688 -21.246 292 3HZ LYS 39 3HZ LYS 39 -6.321 -9.984 -19.716 293 H ASP 40 H ASP 40 -0.444 -10.196 -25.892 294 HA ASP 40 HA ASP 40 1.014 -12.640 -25.718 295 1HB ASP 40 1HB ASP 40 0.247 -10.760 -27.906 296 2HB ASP 40 2HB ASP 40 1.539 -11.917 -28.215 297 H MET 41 H MET 41 1.881 -9.256 -25.928 298 HA MET 41 HA MET 41 4.608 -9.620 -26.601 299 1HB MET 41 1HB MET 41 2.893 -7.404 -25.697 300 2HB MET 41 2HB MET 41 4.584 -7.257 -25.237 301 1HG MET 41 1HG MET 41 5.051 -6.503 -27.256 302 2HG MET 41 2HG MET 41 4.537 -8.043 -27.940 303 1HE MET 41 1HE MET 41 2.974 -4.661 -29.759 304 2HE MET 41 2HE MET 41 4.420 -4.721 -28.751 305 3HE MET 41 3HE MET 41 4.186 -5.914 -30.029 306 H GLU 42 H GLU 42 3.064 -8.867 -23.472 307 HA GLU 42 HA GLU 42 5.399 -9.101 -21.931 308 1HB GLU 42 1HB GLU 42 2.553 -9.599 -21.044 309 2HB GLU 42 2HB GLU 42 3.917 -9.223 -20.002 310 1HG GLU 42 1HG GLU 42 3.491 -7.069 -20.215 311 2HG GLU 42 2HG GLU 42 3.748 -7.184 -21.955 312 H SER 43 H SER 43 3.031 -11.474 -22.975 313 HA SER 43 HA SER 43 3.767 -13.594 -21.302 314 1HB SER 43 1HB SER 43 2.325 -13.322 -23.881 315 2HB SER 43 2HB SER 43 2.970 -14.921 -23.509 316 HG SER 43 HG SER 43 0.813 -14.541 -22.713 317 H HIS 44 H HIS 44 4.914 -12.739 -24.556 318 HA HIS 44 HA HIS 44 6.717 -14.873 -24.845 319 1HB HIS 44 1HB HIS 44 5.898 -13.325 -26.667 320 2HB HIS 44 2HB HIS 44 7.032 -12.124 -26.056 321 HD1 HIS 44 HD1 HIS 44 8.154 -15.658 -26.067 322 HD2 HIS 44 HD2 HIS 44 8.443 -12.311 -28.512 323 HE1 HIS 44 HE1 HIS 44 9.948 -16.202 -27.743 324 H VAL 45 H VAL 45 7.125 -11.620 -23.519 325 HA VAL 45 HA VAL 45 9.896 -11.661 -23.161 326 HB VAL 45 HB VAL 45 7.925 -10.298 -21.327 327 1HG1 VAL 45 1HG1 VAL 45 10.429 -8.964 -22.034 328 2HG1 VAL 45 2HG1 VAL 45 9.659 -9.175 -20.460 329 3HG1 VAL 45 3HG1 VAL 45 10.646 -10.469 -21.141 330 1HG2 VAL 45 1HG2 VAL 45 8.896 -8.488 -23.246 331 2HG2 VAL 45 2HG2 VAL 45 8.360 -9.914 -24.134 332 3HG2 VAL 45 3HG2 VAL 45 7.245 -9.076 -23.055 333 H PHE 46 H PHE 46 7.290 -12.917 -21.155 334 HA PHE 46 HA PHE 46 8.857 -13.498 -18.875 335 1HB PHE 46 1HB PHE 46 6.301 -13.394 -19.064 336 2HB PHE 46 2HB PHE 46 6.398 -15.035 -19.694 337 HD1 PHE 46 HD1 PHE 46 6.969 -12.909 -16.751 338 HD2 PHE 46 HD2 PHE 46 6.847 -16.885 -18.265 339 HE1 PHE 46 HE1 PHE 46 7.006 -13.783 -14.451 340 HE2 PHE 46 HE2 PHE 46 6.883 -17.765 -15.968 341 HZ PHE 46 HZ PHE 46 6.962 -16.214 -14.057 342 H LEU 47 H LEU 47 7.614 -15.673 -21.416 343 HA LEU 47 HA LEU 47 9.035 -17.942 -20.582 344 1HB LEU 47 1HB LEU 47 7.691 -17.099 -23.099 345 2HB LEU 47 2HB LEU 47 8.746 -18.509 -23.144 346 HG LEU 47 HG LEU 47 6.488 -18.294 -21.175 347 1HD1 LEU 47 1HD1 LEU 47 5.877 -18.056 -23.715 348 2HD1 LEU 47 2HD1 LEU 47 4.949 -19.118 -22.656 349 3HD1 LEU 47 3HD1 LEU 47 6.176 -19.794 -23.728 350 1HD2 LEU 47 1HD2 LEU 47 8.428 -20.335 -22.038 351 2HD2 LEU 47 2HD2 LEU 47 6.770 -20.899 -21.824 352 3HD2 LEU 47 3HD2 LEU 47 7.616 -20.119 -20.487 353 H LYS 48 H LYS 48 10.077 -15.118 -22.194 354 HA LYS 48 HA LYS 48 12.440 -16.373 -23.338 355 1HB LYS 48 1HB LYS 48 11.445 -14.670 -24.690 356 2HB LYS 48 2HB LYS 48 11.410 -13.536 -23.345 357 1HG LYS 48 1HG LYS 48 13.640 -13.047 -23.518 358 2HG LYS 48 2HG LYS 48 14.037 -14.603 -24.250 359 1HD LYS 48 1HD LYS 48 13.084 -13.929 -26.345 360 2HD LYS 48 2HD LYS 48 12.446 -12.446 -25.632 361 1HE LYS 48 1HE LYS 48 14.490 -11.421 -25.601 362 2HE LYS 48 2HE LYS 48 15.372 -12.940 -25.454 363 1HZ LYS 48 1HZ LYS 48 14.424 -13.290 -27.855 364 2HZ LYS 48 2HZ LYS 48 15.837 -12.395 -27.601 365 3HZ LYS 48 3HZ LYS 48 14.366 -11.599 -27.856 366 H ALA 49 H ALA 49 11.523 -14.355 -20.628 367 HA ALA 49 HA ALA 49 14.191 -13.687 -19.849 368 1HB ALA 49 1HB ALA 49 12.569 -13.462 -17.593 369 2HB ALA 49 2HB ALA 49 13.009 -12.180 -18.722 370 3HB ALA 49 3HB ALA 49 11.516 -13.088 -18.958 371 H LYS 50 H LYS 50 15.352 -14.468 -18.042 372 HA LYS 50 HA LYS 50 14.721 -17.261 -17.375 373 1HB LYS 50 1HB LYS 50 17.208 -15.802 -17.920 374 2HB LYS 50 2HB LYS 50 17.292 -16.847 -16.508 375 1HG LYS 50 1HG LYS 50 17.247 -18.725 -17.734 376 2HG LYS 50 2HG LYS 50 16.079 -18.071 -18.885 377 1HD LYS 50 1HD LYS 50 17.687 -17.482 -20.320 378 2HD LYS 50 2HD LYS 50 18.656 -16.737 -19.046 379 1HE LYS 50 1HE LYS 50 18.518 -19.716 -19.291 380 2HE LYS 50 2HE LYS 50 19.587 -18.790 -20.343 381 1HZ LYS 50 1HZ LYS 50 20.319 -19.690 -17.964 382 2HZ LYS 50 2HZ LYS 50 19.725 -18.174 -17.504 383 3HZ LYS 50 3HZ LYS 50 20.964 -18.285 -18.651 384 H THR 51 H THR 51 15.162 -14.098 -16.058 385 HA THR 51 HA THR 51 14.398 -15.099 -13.426 386 HB THR 51 HB THR 51 16.107 -13.827 -12.252 387 HG1 THR 51 HG1 THR 51 17.168 -12.325 -13.283 388 1HG2 THR 51 1HG2 THR 51 16.601 -16.160 -12.879 389 2HG2 THR 51 2HG2 THR 51 18.058 -15.170 -12.806 390 3HG2 THR 51 3HG2 THR 51 17.352 -15.586 -14.367 391 H ARG 52 H ARG 52 13.879 -13.247 -11.922 392 HA ARG 52 HA ARG 52 11.925 -11.613 -13.001 393 1HB ARG 52 1HB ARG 52 11.814 -10.529 -10.892 394 2HB ARG 52 2HB ARG 52 12.280 -12.193 -10.566 395 1HG ARG 52 1HG ARG 52 14.658 -11.408 -10.458 396 2HG ARG 52 2HG ARG 52 14.040 -9.757 -10.538 397 1HD ARG 52 1HD ARG 52 12.806 -10.067 -8.495 398 2HD ARG 52 2HD ARG 52 13.236 -11.776 -8.450 399 HE ARG 52 HE ARG 52 15.528 -10.066 -8.465 400 1HH1 ARG 52 1HH1 ARG 52 13.061 -11.465 -6.445 401 2HH1 ARG 52 2HH1 ARG 52 14.014 -11.384 -5.001 402 1HH2 ARG 52 1HH2 ARG 52 16.792 -9.954 -6.570 403 2HH2 ARG 52 2HH2 ARG 52 16.136 -10.523 -5.072 404 H ASP 53 H ASP 53 15.356 -11.111 -12.784 405 HA ASP 53 HA ASP 53 15.306 -8.293 -13.245 406 1HB ASP 53 1HB ASP 53 17.206 -9.658 -12.209 407 2HB ASP 53 2HB ASP 53 17.618 -10.129 -13.856 408 H GLU 54 H GLU 54 15.970 -11.110 -15.314 409 HA GLU 54 HA GLU 54 16.511 -9.799 -17.686 410 1HB GLU 54 1HB GLU 54 16.645 -12.289 -17.208 411 2HB GLU 54 2HB GLU 54 14.914 -12.353 -17.511 412 1HG GLU 54 1HG GLU 54 15.150 -11.950 -19.757 413 2HG GLU 54 2HG GLU 54 16.700 -11.135 -19.558 414 H TYR 55 H TYR 55 13.344 -10.950 -16.531 415 HA TYR 55 HA TYR 55 11.843 -9.954 -18.683 416 1HB TYR 55 1HB TYR 55 10.853 -11.587 -17.246 417 2HB TYR 55 2HB TYR 55 11.083 -10.571 -15.827 418 HD1 TYR 55 HD1 TYR 55 9.460 -8.968 -15.201 419 HD2 TYR 55 HD2 TYR 55 9.170 -10.900 -18.981 420 HE1 TYR 55 HE1 TYR 55 7.204 -8.036 -15.497 421 HE2 TYR 55 HE2 TYR 55 6.913 -9.972 -19.288 422 HH TYR 55 HH TYR 55 5.290 -8.748 -18.407 423 H LEU 56 H LEU 56 12.150 -8.601 -15.394 424 HA LEU 56 HA LEU 56 10.805 -6.231 -15.791 425 1HB LEU 56 1HB LEU 56 13.039 -7.049 -13.996 426 2HB LEU 56 2HB LEU 56 12.570 -5.352 -14.056 427 HG LEU 56 HG LEU 56 10.440 -7.372 -13.579 428 1HD1 LEU 56 1HD1 LEU 56 11.180 -6.790 -11.043 429 2HD1 LEU 56 2HD1 LEU 56 12.755 -6.930 -11.825 430 3HD1 LEU 56 3HD1 LEU 56 11.615 -8.274 -11.891 431 1HD2 LEU 56 1HD2 LEU 56 10.386 -5.138 -11.839 432 2HD2 LEU 56 2HD2 LEU 56 9.304 -5.510 -13.181 433 3HD2 LEU 56 3HD2 LEU 56 10.756 -4.548 -13.459 434 H SER 57 H SER 57 14.019 -7.120 -16.806 435 HA SER 57 HA SER 57 14.881 -4.463 -17.425 436 1HB SER 57 1HB SER 57 16.422 -6.394 -16.945 437 2HB SER 57 2HB SER 57 15.985 -7.059 -18.519 438 HG SER 57 HG SER 57 16.930 -5.327 -19.510 439 H LEU 58 H LEU 58 13.950 -7.236 -19.465 440 HA LEU 58 HA LEU 58 13.989 -5.866 -21.904 441 1HB LEU 58 1HB LEU 58 12.349 -8.248 -21.055 442 2HB LEU 58 2HB LEU 58 12.523 -7.694 -22.719 443 HG LEU 58 HG LEU 58 14.644 -8.888 -20.944 444 1HD1 LEU 58 1HD1 LEU 58 14.567 -10.146 -23.416 445 2HD1 LEU 58 2HD1 LEU 58 12.874 -9.889 -22.998 446 3HD1 LEU 58 3HD1 LEU 58 13.931 -10.766 -21.892 447 1HD2 LEU 58 1HD2 LEU 58 15.925 -8.638 -23.247 448 2HD2 LEU 58 2HD2 LEU 58 15.955 -7.367 -22.024 449 3HD2 LEU 58 3HD2 LEU 58 14.864 -7.239 -23.405 450 H VAL 59 H VAL 59 11.449 -6.246 -19.496 451 HA VAL 59 HA VAL 59 9.322 -5.190 -21.010 452 HB VAL 59 HB VAL 59 9.727 -5.149 -18.016 453 1HG1 VAL 59 1HG1 VAL 59 7.608 -4.104 -19.727 454 2HG1 VAL 59 2HG1 VAL 59 7.025 -5.208 -18.480 455 3HG1 VAL 59 3HG1 VAL 59 7.958 -3.780 -18.030 456 1HG2 VAL 59 1HG2 VAL 59 9.045 -7.278 -17.946 457 2HG2 VAL 59 2HG2 VAL 59 7.783 -7.008 -19.147 458 3HG2 VAL 59 3HG2 VAL 59 9.439 -7.325 -19.664 459 H ALA 60 H ALA 60 11.315 -3.614 -18.503 460 HA ALA 60 HA ALA 60 10.317 -1.059 -18.677 461 1HB ALA 60 1HB ALA 60 12.918 -2.218 -17.878 462 2HB ALA 60 2HB ALA 60 12.883 -0.482 -18.192 463 3HB ALA 60 3HB ALA 60 11.810 -1.180 -16.979 464 H ARG 61 H ARG 61 13.123 -2.321 -20.487 465 HA ARG 61 HA ARG 61 13.686 -0.105 -22.020 466 1HB ARG 61 1HB ARG 61 14.342 -2.892 -22.068 467 2HB ARG 61 2HB ARG 61 14.001 -2.361 -23.709 468 1HG ARG 61 1HG ARG 61 15.878 -1.150 -23.838 469 2HG ARG 61 2HG ARG 61 15.717 -0.542 -22.189 470 1HD ARG 61 1HD ARG 61 16.312 -3.082 -21.635 471 2HD ARG 61 2HD ARG 61 17.105 -2.956 -23.205 472 HE ARG 61 HE ARG 61 17.791 -0.760 -21.548 473 1HH1 ARG 61 1HH1 ARG 61 18.420 -4.149 -22.035 474 2HH1 ARG 61 2HH1 ARG 61 20.010 -4.086 -21.351 475 1HH2 ARG 61 1HH2 ARG 61 19.884 -0.663 -20.646 476 2HH2 ARG 61 2HH2 ARG 61 20.842 -2.103 -20.561 477 H LEU 62 H LEU 62 11.346 -2.683 -22.702 478 HA LEU 62 HA LEU 62 10.533 -1.810 -25.229 479 1HB LEU 62 1HB LEU 62 9.933 -3.988 -24.417 480 2HB LEU 62 2HB LEU 62 9.021 -3.286 -23.082 481 HG LEU 62 HG LEU 62 8.044 -2.419 -25.683 482 1HD1 LEU 62 1HD1 LEU 62 6.927 -4.728 -26.007 483 2HD1 LEU 62 2HD1 LEU 62 8.306 -5.339 -25.093 484 3HD1 LEU 62 3HD1 LEU 62 8.566 -4.475 -26.608 485 1HD2 LEU 62 1HD2 LEU 62 6.753 -2.020 -23.734 486 2HD2 LEU 62 2HD2 LEU 62 6.862 -3.707 -23.232 487 3HD2 LEU 62 3HD2 LEU 62 5.911 -3.268 -24.652 488 H ILE 63 H ILE 63 9.035 -1.172 -22.057 489 HA ILE 63 HA ILE 63 7.020 0.537 -22.958 490 HB ILE 63 HB ILE 63 8.427 0.329 -20.308 491 1HG1 ILE 63 1HG1 ILE 63 5.587 -0.300 -21.136 492 2HG1 ILE 63 2HG1 ILE 63 6.883 -1.487 -21.049 493 1HG2 ILE 63 1HG2 ILE 63 6.210 1.734 -19.697 494 2HG2 ILE 63 2HG2 ILE 63 7.791 2.464 -19.971 495 3HG2 ILE 63 3HG2 ILE 63 6.600 2.427 -21.271 496 1HD1 ILE 63 1HD1 ILE 63 5.594 0.024 -18.804 497 2HD1 ILE 63 2HD1 ILE 63 5.661 -1.719 -19.063 498 3HD1 ILE 63 3HD1 ILE 63 7.121 -0.837 -18.616 499 H ILE 64 H ILE 64 10.256 1.331 -21.705 500 HA ILE 64 HA ILE 64 10.093 4.100 -21.895 501 HB ILE 64 HB ILE 64 12.484 2.289 -22.223 502 1HG1 ILE 64 1HG1 ILE 64 12.268 4.025 -19.871 503 2HG1 ILE 64 2HG1 ILE 64 10.960 2.854 -19.999 504 1HG2 ILE 64 1HG2 ILE 64 13.183 4.247 -23.278 505 2HG2 ILE 64 2HG2 ILE 64 12.287 5.278 -22.164 506 3HG2 ILE 64 3HG2 ILE 64 13.742 4.445 -21.618 507 1HD1 ILE 64 1HD1 ILE 64 12.331 1.422 -19.010 508 2HD1 ILE 64 2HD1 ILE 64 13.223 1.370 -20.531 509 3HD1 ILE 64 3HD1 ILE 64 13.726 2.473 -19.251 510 H HIS 65 H HIS 65 11.195 1.751 -24.323 511 HA HIS 65 HA HIS 65 11.928 3.563 -26.314 512 1HB HIS 65 1HB HIS 65 11.907 0.830 -26.076 513 2HB HIS 65 2HB HIS 65 10.672 1.098 -27.303 514 HD1 HIS 65 HD1 HIS 65 13.696 -0.106 -27.594 515 HD2 HIS 65 HD2 HIS 65 12.267 3.585 -28.856 516 HE1 HIS 65 HE1 HIS 65 15.245 0.620 -29.437 517 H PHE 66 H PHE 66 8.787 2.276 -25.424 518 HA PHE 66 HA PHE 66 7.386 3.190 -27.713 519 1HB PHE 66 1HB PHE 66 6.627 2.196 -25.005 520 2HB PHE 66 2HB PHE 66 5.408 3.050 -25.946 521 HD1 PHE 66 HD1 PHE 66 5.526 2.219 -28.574 522 HD2 PHE 66 HD2 PHE 66 6.454 -0.077 -25.113 523 HE1 PHE 66 HE1 PHE 66 5.040 0.153 -29.819 524 HE2 PHE 66 HE2 PHE 66 5.970 -2.147 -26.352 525 HZ PHE 66 HZ PHE 66 5.263 -2.033 -28.709 526 H ARG 67 H ARG 67 7.848 4.550 -24.468 527 HA ARG 67 HA ARG 67 6.253 6.827 -24.791 528 1HB ARG 67 1HB ARG 67 8.685 6.341 -23.067 529 2HB ARG 67 2HB ARG 67 7.700 7.794 -22.963 530 1HG ARG 67 1HG ARG 67 6.047 6.754 -21.853 531 2HG ARG 67 2HG ARG 67 6.221 5.262 -22.779 532 1HD ARG 67 1HD ARG 67 7.051 4.462 -20.844 533 2HD ARG 67 2HD ARG 67 8.534 5.245 -21.390 534 HE ARG 67 HE ARG 67 8.342 6.680 -19.634 535 1HH1 ARG 67 1HH1 ARG 67 5.201 5.340 -20.309 536 2HH1 ARG 67 2HH1 ARG 67 4.439 6.107 -18.955 537 1HH2 ARG 67 1HH2 ARG 67 7.350 7.695 -17.849 538 2HH2 ARG 67 2HH2 ARG 67 5.662 7.447 -17.557 539 H ASP 68 H ASP 68 9.598 6.190 -25.665 540 HA ASP 68 HA ASP 68 10.295 8.863 -26.299 541 1HB ASP 68 1HB ASP 68 12.016 7.202 -25.884 542 2HB ASP 68 2HB ASP 68 11.463 6.241 -27.253 543 H ILE 69 H ILE 69 9.282 6.121 -28.328 544 HA ILE 69 HA ILE 69 9.391 7.320 -30.809 545 HB ILE 69 HB ILE 69 7.317 5.353 -29.833 546 1HG1 ILE 69 1HG1 ILE 69 9.633 4.575 -31.534 547 2HG1 ILE 69 2HG1 ILE 69 9.953 4.917 -29.837 548 1HG2 ILE 69 1HG2 ILE 69 7.438 4.772 -32.387 549 2HG2 ILE 69 2HG2 ILE 69 6.396 6.070 -31.808 550 3HG2 ILE 69 3HG2 ILE 69 7.961 6.450 -32.527 551 1HD1 ILE 69 1HD1 ILE 69 8.674 2.620 -31.076 552 2HD1 ILE 69 2HD1 ILE 69 9.441 2.781 -29.496 553 3HD1 ILE 69 3HD1 ILE 69 7.763 3.278 -29.717 554 H HIS 70 H HIS 70 6.713 7.371 -28.478 555 HA HIS 70 HA HIS 70 4.897 8.820 -30.045 556 1HB HIS 70 1HB HIS 70 4.513 7.585 -27.814 557 2HB HIS 70 2HB HIS 70 5.054 9.077 -27.050 558 HD1 HIS 70 HD1 HIS 70 2.954 10.036 -26.124 559 HD2 HIS 70 HD2 HIS 70 2.502 8.782 -30.059 560 HE1 HIS 70 HE1 HIS 70 0.652 10.783 -26.808 561 H ASN 71 H ASN 71 6.987 10.022 -27.412 562 HA ASN 71 HA ASN 71 6.460 12.724 -27.712 563 1HB ASN 71 1HB ASN 71 8.368 11.108 -26.310 564 2HB ASN 71 2HB ASN 71 9.202 12.483 -27.028 565 1HD2 ASN 71 1HD2 ASN 71 7.727 14.566 -26.812 566 2HD2 ASN 71 2HD2 ASN 71 7.202 14.874 -25.195 567 H LYS 72 H LYS 72 8.565 10.642 -29.564 568 HA LYS 72 HA LYS 72 9.702 10.948 -31.510 569 1HB LYS 72 1HB LYS 72 7.439 12.062 -32.064 570 2HB LYS 72 2HB LYS 72 8.295 13.584 -31.856 571 1HG LYS 72 1HG LYS 72 9.897 12.882 -33.598 572 2HG LYS 72 2HG LYS 72 8.943 11.417 -33.844 573 1HD LYS 72 1HD LYS 72 7.941 14.243 -34.190 574 2HD LYS 72 2HD LYS 72 8.411 13.155 -35.498 575 1HE LYS 72 1HE LYS 72 6.287 12.482 -35.539 576 2HE LYS 72 2HE LYS 72 6.611 11.671 -34.008 577 1HZ LYS 72 1HZ LYS 72 5.144 13.007 -33.060 578 2HZ LYS 72 2HZ LYS 72 4.892 13.836 -34.512 579 3HZ LYS 72 3HZ LYS 72 6.099 14.350 -33.444 580 H LYS 73 H LYS 73 11.638 11.219 -30.266 581 HA LYS 73 HA LYS 73 12.638 13.569 -29.217 582 1HB LYS 73 1HB LYS 73 13.585 11.091 -29.324 583 2HB LYS 73 2HB LYS 73 14.523 11.758 -30.654 584 1HG LYS 73 1HG LYS 73 15.972 12.576 -29.201 585 2HG LYS 73 2HG LYS 73 14.701 13.587 -28.511 586 1HD LYS 73 1HD LYS 73 14.355 12.188 -26.754 587 2HD LYS 73 2HD LYS 73 14.740 10.742 -27.690 588 1HE LYS 73 1HE LYS 73 16.483 10.970 -26.120 589 2HE LYS 73 2HE LYS 73 17.148 11.531 -27.654 590 1HZ LYS 73 1HZ LYS 73 16.022 13.349 -25.598 591 2HZ LYS 73 2HZ LYS 73 16.905 13.777 -26.976 592 3HZ LYS 73 3HZ LYS 73 17.667 12.963 -25.703 593 H SER 74 H SER 74 12.504 12.516 -32.550 594 HA SER 74 HA SER 74 14.320 14.383 -33.633 595 1HB SER 74 1HB SER 74 12.538 12.372 -34.620 596 2HB SER 74 2HB SER 74 12.293 13.849 -35.551 597 HG SER 74 HG SER 74 14.830 12.683 -35.046 598 H GLN 75 H GLN 75 13.921 16.325 -34.775 599 HA GLN 75 HA GLN 75 11.385 17.658 -34.096 600 1HB GLN 75 1HB GLN 75 14.073 18.382 -33.332 601 2HB GLN 75 2HB GLN 75 13.348 19.655 -34.305 602 1HG GLN 75 1HG GLN 75 11.340 19.460 -32.738 603 2HG GLN 75 2HG GLN 75 12.417 18.543 -31.686 604 1HE2 GLN 75 1HE2 GLN 75 11.572 21.640 -32.910 605 2HE2 GLN 75 2HE2 GLN 75 12.667 22.565 -31.946 606 H ALA 76 H ALA 76 11.262 19.816 -35.434 607 HA ALA 76 HA ALA 76 10.895 19.153 -38.099 608 1HB ALA 76 1HB ALA 76 9.912 21.113 -36.870 609 2HB ALA 76 2HB ALA 76 11.449 21.944 -37.118 610 3HB ALA 76 3HB ALA 76 10.477 21.455 -38.506 611 H SER 77 H SER 77 13.725 20.450 -36.483 612 HA SER 77 HA SER 77 15.204 21.304 -38.679 613 1HB SER 77 1HB SER 77 15.711 20.705 -35.898 614 2HB SER 77 2HB SER 77 17.053 20.153 -36.900 615 HG SER 77 HG SER 77 17.627 22.156 -37.054 616 H VAL 78 H VAL 78 15.315 20.078 -40.473 617 HA VAL 78 HA VAL 78 16.316 17.319 -40.180 618 HB VAL 78 HB VAL 78 14.031 17.460 -41.135 619 1HG1 VAL 78 1HG1 VAL 78 15.416 18.963 -43.353 620 2HG1 VAL 78 2HG1 VAL 78 13.769 18.334 -43.432 621 3HG1 VAL 78 3HG1 VAL 78 14.180 19.590 -42.264 622 1HG2 VAL 78 1HG2 VAL 78 16.181 15.948 -41.996 623 2HG2 VAL 78 2HG2 VAL 78 14.478 15.622 -42.319 624 3HG2 VAL 78 3HG2 VAL 78 15.442 16.521 -43.491 Start of MODEL 4 1 1H GLY 2 HT1 GLY 2 -1.948 -0.152 -7.764 2 1HA GLY 2 1HA GLY 2 -2.255 -0.045 -5.217 3 2HA GLY 2 2HA GLY 2 -2.192 -1.654 -5.920 4 H ALA 3 H ALA 3 0.598 -1.646 -6.539 5 HA ALA 3 HA ALA 3 1.728 -1.704 -3.816 6 1HB ALA 3 1HB ALA 3 2.856 -3.471 -5.914 7 2HB ALA 3 2HB ALA 3 2.683 -3.736 -4.179 8 3HB ALA 3 3HB ALA 3 1.284 -3.900 -5.240 9 H MET 4 H MET 4 4.290 -1.937 -4.090 10 HA MET 4 HA MET 4 5.140 0.175 -5.960 11 1HB MET 4 1HB MET 4 5.097 0.442 -3.252 12 2HB MET 4 2HB MET 4 6.728 -0.166 -3.500 13 1HG MET 4 1HG MET 4 7.400 1.694 -4.650 14 2HG MET 4 2HG MET 4 5.769 2.081 -5.192 15 1HE MET 4 1HE MET 4 6.935 4.426 -4.705 16 2HE MET 4 2HE MET 4 5.222 4.639 -4.342 17 3HE MET 4 3HE MET 4 6.443 5.283 -3.244 18 H GLY 5 H GLY 5 5.170 -2.741 -6.295 19 1HA GLY 5 1HA GLY 5 6.705 -3.994 -7.573 20 2HA GLY 5 2HA GLY 5 8.006 -2.985 -6.957 21 H GLN 6 H GLN 6 8.347 -5.685 -7.052 22 HA GLN 6 HA GLN 6 8.398 -6.365 -4.197 23 1HB GLN 6 1HB GLN 6 6.897 -7.718 -6.239 24 2HB GLN 6 2HB GLN 6 8.141 -8.793 -5.616 25 1HG GLN 6 1HG GLN 6 7.203 -8.919 -3.555 26 2HG GLN 6 2HG GLN 6 6.529 -7.292 -3.640 27 1HE2 GLN 6 1HE2 GLN 6 5.488 -10.139 -3.102 28 2HE2 GLN 6 2HE2 GLN 6 4.042 -10.212 -4.045 29 H GLU 7 H GLU 7 9.748 -8.636 -4.134 30 HA GLU 7 HA GLU 7 12.066 -8.444 -5.893 31 1HB GLU 7 1HB GLU 7 12.113 -7.981 -2.929 32 2HB GLU 7 2HB GLU 7 13.510 -8.679 -3.736 33 1HG GLU 7 1HG GLU 7 13.177 -6.607 -5.336 34 2HG GLU 7 2HG GLU 7 12.390 -5.939 -3.908 35 H THR 8 H THR 8 9.897 -10.363 -5.477 36 HA THR 8 HA THR 8 11.401 -12.749 -5.558 37 HB THR 8 HB THR 8 9.834 -13.516 -3.402 38 HG1 THR 8 HG1 THR 8 9.545 -11.734 -2.295 39 1HG2 THR 8 1HG2 THR 8 12.330 -13.094 -2.314 40 2HG2 THR 8 2HG2 THR 8 12.663 -13.210 -4.042 41 3HG2 THR 8 3HG2 THR 8 11.827 -14.524 -3.215 42 H ASP 9 H ASP 9 10.070 -14.645 -5.912 43 HA ASP 9 HA ASP 9 8.375 -15.690 -7.019 44 1HB ASP 9 1HB ASP 9 6.416 -13.930 -5.583 45 2HB ASP 9 2HB ASP 9 6.304 -15.649 -5.952 46 H TRP 10 H TRP 10 9.369 -14.117 -8.770 47 HA TRP 10 HA TRP 10 7.594 -12.063 -9.711 48 1HB TRP 10 1HB TRP 10 9.168 -11.708 -11.451 49 2HB TRP 10 2HB TRP 10 10.117 -12.110 -10.023 50 HD1 TRP 10 HD1 TRP 10 10.684 -14.954 -9.932 51 HE1 TRP 10 HE1 TRP 10 11.628 -16.359 -11.871 52 HE3 TRP 10 HE3 TRP 10 9.387 -11.921 -13.837 53 HZ2 TRP 10 HZ2 TRP 10 11.801 -16.201 -14.684 54 HZ3 TRP 10 HZ3 TRP 10 9.980 -12.620 -16.121 55 HH2 TRP 10 HH2 TRP 10 11.162 -14.716 -16.533 56 H ARG 11 H ARG 11 7.419 -15.355 -9.794 57 HA ARG 11 HA ARG 11 6.309 -15.578 -12.473 58 1HB ARG 11 1HB ARG 11 7.256 -17.435 -10.402 59 2HB ARG 11 2HB ARG 11 5.824 -17.986 -11.263 60 1HG ARG 11 1HG ARG 11 6.932 -17.985 -13.330 61 2HG ARG 11 2HG ARG 11 8.269 -17.017 -12.705 62 1HD ARG 11 1HD ARG 11 9.364 -18.918 -12.339 63 2HD ARG 11 2HD ARG 11 8.188 -19.275 -11.074 64 HE ARG 11 HE ARG 11 8.343 -20.468 -13.696 65 1HH1 ARG 11 1HH1 ARG 11 6.338 -19.832 -10.922 66 2HH1 ARG 11 2HH1 ARG 11 5.251 -21.143 -11.244 67 1HH2 ARG 11 1HH2 ARG 11 6.920 -22.196 -14.130 68 2HH2 ARG 11 2HH2 ARG 11 5.584 -22.488 -13.069 69 H SER 12 H SER 12 5.130 -14.211 -9.884 70 HA SER 12 HA SER 12 2.601 -15.584 -9.620 71 1HB SER 12 1HB SER 12 3.057 -14.626 -7.593 72 2HB SER 12 2HB SER 12 3.936 -13.275 -8.310 73 HG SER 12 HG SER 12 2.162 -12.151 -8.316 74 H THR 13 H THR 13 0.611 -14.878 -10.337 75 HA THR 13 HA THR 13 0.466 -13.635 -12.820 76 HB THR 13 HB THR 13 -1.849 -13.549 -10.907 77 HG1 THR 13 HG1 THR 13 -1.092 -15.861 -12.377 78 1HG2 THR 13 1HG2 THR 13 -2.298 -12.617 -13.062 79 2HG2 THR 13 2HG2 THR 13 -3.065 -14.204 -13.006 80 3HG2 THR 13 3HG2 THR 13 -1.546 -13.989 -13.875 81 H ALA 14 H ALA 14 -0.256 -12.283 -9.608 82 HA ALA 14 HA ALA 14 -1.052 -9.744 -10.361 83 1HB ALA 14 1HB ALA 14 -0.654 -9.066 -8.148 84 2HB ALA 14 2HB ALA 14 -1.036 -10.785 -8.039 85 3HB ALA 14 3HB ALA 14 0.639 -10.246 -7.930 86 H PHE 15 H PHE 15 2.204 -11.042 -9.998 87 HA PHE 15 HA PHE 15 3.593 -8.598 -10.230 88 1HB PHE 15 1HB PHE 15 4.415 -10.990 -9.524 89 2HB PHE 15 2HB PHE 15 4.759 -11.166 -11.242 90 HD1 PHE 15 HD1 PHE 15 6.154 -10.319 -8.205 91 HD2 PHE 15 HD2 PHE 15 6.013 -8.997 -12.248 92 HE1 PHE 15 HE1 PHE 15 8.291 -9.141 -7.890 93 HE2 PHE 15 HE2 PHE 15 8.150 -7.818 -11.941 94 HZ PHE 15 HZ PHE 15 9.292 -7.889 -9.760 95 H ARG 16 H ARG 16 3.452 -11.186 -12.679 96 HA ARG 16 HA ARG 16 4.343 -9.665 -14.818 97 1HB ARG 16 1HB ARG 16 4.055 -12.173 -14.733 98 2HB ARG 16 2HB ARG 16 2.341 -11.914 -15.033 99 1HG ARG 16 1HG ARG 16 3.333 -10.505 -17.068 100 2HG ARG 16 2HG ARG 16 4.650 -11.661 -16.858 101 1HD ARG 16 1HD ARG 16 1.995 -12.877 -16.773 102 2HD ARG 16 2HD ARG 16 2.359 -12.086 -18.306 103 HE ARG 16 HE ARG 16 4.576 -13.596 -17.720 104 1HH1 ARG 16 1HH1 ARG 16 1.179 -14.199 -18.186 105 2HH1 ARG 16 2HH1 ARG 16 1.415 -15.802 -18.801 106 1HH2 ARG 16 1HH2 ARG 16 4.899 -15.705 -18.528 107 2HH2 ARG 16 2HH2 ARG 16 3.531 -16.658 -18.994 108 H GLN 17 H GLN 17 1.070 -10.096 -13.579 109 HA GLN 17 HA GLN 17 -0.375 -8.920 -15.638 110 1HB GLN 17 1HB GLN 17 -1.412 -10.086 -13.741 111 2HB GLN 17 2HB GLN 17 -0.926 -8.779 -12.669 112 1HG GLN 17 1HG GLN 17 -2.652 -8.244 -15.052 113 2HG GLN 17 2HG GLN 17 -3.342 -8.845 -13.545 114 1HE2 GLN 17 1HE2 GLN 17 -2.914 -7.575 -11.602 115 2HE2 GLN 17 2HE2 GLN 17 -2.786 -5.858 -11.741 116 H LYS 18 H LYS 18 0.635 -7.309 -12.617 117 HA LYS 18 HA LYS 18 -0.053 -4.727 -13.291 118 1HB LYS 18 1HB LYS 18 1.892 -5.959 -11.429 119 2HB LYS 18 2HB LYS 18 2.161 -4.264 -11.814 120 1HG LYS 18 1HG LYS 18 0.159 -3.596 -10.857 121 2HG LYS 18 2HG LYS 18 -0.542 -5.212 -10.957 122 1HD LYS 18 1HD LYS 18 1.445 -5.812 -9.336 123 2HD LYS 18 2HD LYS 18 1.375 -4.086 -8.971 124 1HE LYS 18 1HE LYS 18 -1.276 -5.154 -8.996 125 2HE LYS 18 2HE LYS 18 -0.260 -6.157 -7.962 126 1HZ LYS 18 1HZ LYS 18 0.384 -3.541 -7.361 127 2HZ LYS 18 2HZ LYS 18 -0.503 -4.618 -6.406 128 3HZ LYS 18 3HZ LYS 18 -1.304 -3.571 -7.465 129 H LEU 19 H LEU 19 3.057 -6.354 -13.865 130 HA LEU 19 HA LEU 19 4.374 -4.210 -15.079 131 1HB LEU 19 1HB LEU 19 4.677 -7.176 -15.183 132 2HB LEU 19 2HB LEU 19 5.611 -6.174 -16.291 133 HG LEU 19 HG LEU 19 6.515 -6.963 -13.898 134 1HD1 LEU 19 1HD1 LEU 19 7.861 -5.872 -15.562 135 2HD1 LEU 19 2HD1 LEU 19 8.079 -5.046 -14.019 136 3HD1 LEU 19 3HD1 LEU 19 7.055 -4.332 -15.264 137 1HD2 LEU 19 1HD2 LEU 19 5.352 -4.234 -13.365 138 2HD2 LEU 19 2HD2 LEU 19 6.318 -5.216 -12.263 139 3HD2 LEU 19 3HD2 LEU 19 4.699 -5.742 -12.725 140 H VAL 20 H VAL 20 2.316 -6.733 -16.464 141 HA VAL 20 HA VAL 20 2.689 -6.159 -19.168 142 HB VAL 20 HB VAL 20 0.410 -7.361 -17.637 143 1HG1 VAL 20 1HG1 VAL 20 0.379 -6.366 -20.434 144 2HG1 VAL 20 2HG1 VAL 20 -0.387 -7.921 -20.101 145 3HG1 VAL 20 3HG1 VAL 20 -0.928 -6.471 -19.255 146 1HG2 VAL 20 1HG2 VAL 20 1.691 -9.154 -17.960 147 2HG2 VAL 20 2HG2 VAL 20 1.265 -9.051 -19.669 148 3HG2 VAL 20 3HG2 VAL 20 2.741 -8.286 -19.080 149 H SER 21 H SER 21 0.366 -4.808 -16.853 150 HA SER 21 HA SER 21 -1.063 -3.206 -18.655 151 1HB SER 21 1HB SER 21 -0.530 -2.733 -15.711 152 2HB SER 21 2HB SER 21 -1.779 -1.932 -16.665 153 HG SER 21 HG SER 21 -2.992 -3.608 -16.367 154 H GLN 22 H GLN 22 1.842 -2.538 -16.749 155 HA GLN 22 HA GLN 22 2.097 0.182 -17.295 156 1HB GLN 22 1HB GLN 22 4.276 -1.874 -16.886 157 2HB GLN 22 2HB GLN 22 4.504 -0.132 -16.809 158 1HG GLN 22 1HG GLN 22 3.039 -1.923 -14.917 159 2HG GLN 22 2HG GLN 22 4.337 -0.777 -14.588 160 1HE2 GLN 22 1HE2 GLN 22 3.846 1.476 -14.649 161 2HE2 GLN 22 2HE2 GLN 22 2.240 2.028 -14.336 162 H ILE 23 H ILE 23 3.557 -2.574 -19.019 163 HA ILE 23 HA ILE 23 4.822 -1.093 -21.024 164 HB ILE 23 HB ILE 23 3.761 -3.916 -21.060 165 1HG1 ILE 23 1HG1 ILE 23 6.585 -2.851 -20.845 166 2HG1 ILE 23 2HG1 ILE 23 5.610 -3.376 -19.476 167 1HG2 ILE 23 1HG2 ILE 23 4.832 -2.281 -23.222 168 2HG2 ILE 23 2HG2 ILE 23 5.711 -3.790 -22.988 169 3HG2 ILE 23 3HG2 ILE 23 3.973 -3.820 -23.282 170 1HD1 ILE 23 1HD1 ILE 23 7.362 -4.961 -20.661 171 2HD1 ILE 23 2HD1 ILE 23 5.860 -5.574 -19.970 172 3HD1 ILE 23 3HD1 ILE 23 5.980 -5.288 -21.705 173 H GLU 24 H GLU 24 1.528 -2.294 -20.767 174 HA GLU 24 HA GLU 24 0.787 -1.710 -23.453 175 1HB GLU 24 1HB GLU 24 -0.361 -3.110 -21.407 176 2HB GLU 24 2HB GLU 24 -1.351 -1.658 -21.433 177 1HG GLU 24 1HG GLU 24 -0.930 -2.656 -24.100 178 2HG GLU 24 2HG GLU 24 -1.600 -3.906 -23.053 179 H ASP 25 H ASP 25 0.818 0.103 -20.465 180 HA ASP 25 HA ASP 25 -0.811 2.255 -21.391 181 1HB ASP 25 1HB ASP 25 -0.337 1.634 -18.966 182 2HB ASP 25 2HB ASP 25 1.233 2.404 -19.177 183 H ALA 26 H ALA 26 2.702 1.875 -20.955 184 HA ALA 26 HA ALA 26 3.467 4.384 -21.907 185 1HB ALA 26 1HB ALA 26 5.154 3.229 -20.828 186 2HB ALA 26 2HB ALA 26 4.852 1.740 -21.726 187 3HB ALA 26 3HB ALA 26 5.638 3.105 -22.519 188 H MET 27 H MET 27 2.986 1.329 -23.644 189 HA MET 27 HA MET 27 3.839 2.226 -26.168 190 1HB MET 27 1HB MET 27 2.667 -0.132 -25.065 191 2HB MET 27 2HB MET 27 1.769 0.306 -26.512 192 1HG MET 27 1HG MET 27 3.747 0.240 -27.845 193 2HG MET 27 2HG MET 27 4.761 0.039 -26.418 194 1HE MET 27 1HE MET 27 1.727 -3.058 -27.902 195 2HE MET 27 2HE MET 27 1.545 -1.304 -27.876 196 3HE MET 27 3HE MET 27 2.547 -2.069 -29.111 197 H ARG 28 H ARG 28 0.617 2.142 -24.681 198 HA ARG 28 HA ARG 28 -0.919 2.985 -26.811 199 1HB ARG 28 1HB ARG 28 -2.014 2.317 -24.810 200 2HB ARG 28 2HB ARG 28 -1.176 3.536 -23.859 201 1HG ARG 28 1HG ARG 28 -2.744 5.052 -24.267 202 2HG ARG 28 2HG ARG 28 -2.697 4.734 -26.003 203 1HD ARG 28 1HD ARG 28 -4.225 2.907 -25.777 204 2HD ARG 28 2HD ARG 28 -4.140 2.988 -24.017 205 HE ARG 28 HE ARG 28 -5.042 5.455 -25.028 206 1HH1 ARG 28 1HH1 ARG 28 -6.089 2.160 -24.616 207 2HH1 ARG 28 2HH1 ARG 28 -7.768 2.571 -24.505 208 1HH2 ARG 28 1HH2 ARG 28 -7.250 6.008 -24.883 209 2HH2 ARG 28 2HH2 ARG 28 -8.428 4.759 -24.658 210 H LYS 29 H LYS 29 0.620 5.055 -24.349 211 HA LYS 29 HA LYS 29 -0.050 7.472 -25.723 212 1HB LYS 29 1HB LYS 29 0.879 6.787 -23.171 213 2HB LYS 29 2HB LYS 29 2.167 7.750 -23.883 214 1HG LYS 29 1HG LYS 29 0.676 9.582 -24.263 215 2HG LYS 29 2HG LYS 29 -0.714 8.611 -23.770 216 1HD LYS 29 1HD LYS 29 -0.137 8.682 -21.533 217 2HD LYS 29 2HD LYS 29 1.565 9.002 -21.876 218 1HE LYS 29 1HE LYS 29 1.089 11.130 -21.383 219 2HE LYS 29 2HE LYS 29 0.312 11.186 -22.964 220 1HZ LYS 29 1HZ LYS 29 -1.634 11.505 -21.990 221 2HZ LYS 29 2HZ LYS 29 -0.870 11.563 -20.483 222 3HZ LYS 29 3HZ LYS 29 -1.469 10.094 -21.071 223 H ALA 30 H ALA 30 2.524 5.198 -25.917 224 HA ALA 30 HA ALA 30 4.499 6.936 -27.019 225 1HB ALA 30 1HB ALA 30 4.239 3.933 -27.120 226 2HB ALA 30 2HB ALA 30 5.656 4.844 -27.645 227 3HB ALA 30 3HB ALA 30 5.164 4.877 -25.951 228 H GLY 31 H GLY 31 1.736 5.312 -28.290 229 1HA GLY 31 1HA GLY 31 0.876 5.130 -30.412 230 2HA GLY 31 2HA GLY 31 1.707 6.649 -30.713 231 H VAL 32 H VAL 32 2.106 3.137 -30.731 232 HA VAL 32 HA VAL 32 4.110 3.470 -32.865 233 HB VAL 32 HB VAL 32 5.134 1.309 -32.013 234 1HG1 VAL 32 1HG1 VAL 32 5.787 2.978 -29.804 235 2HG1 VAL 32 2HG1 VAL 32 6.703 2.701 -31.287 236 3HG1 VAL 32 3HG1 VAL 32 5.513 4.002 -31.213 237 1HG2 VAL 32 1HG2 VAL 32 2.994 1.096 -30.437 238 2HG2 VAL 32 2HG2 VAL 32 4.555 0.389 -30.017 239 3HG2 VAL 32 3HG2 VAL 32 4.071 1.934 -29.319 240 H ALA 33 H ALA 33 4.468 1.075 -33.830 241 HA ALA 33 HA ALA 33 1.997 -0.409 -34.073 242 1HB ALA 33 1HB ALA 33 1.526 -0.006 -36.313 243 2HB ALA 33 2HB ALA 33 1.925 1.596 -35.690 244 3HB ALA 33 3HB ALA 33 3.116 0.691 -36.624 245 H HIS 34 H HIS 34 2.500 -1.902 -36.285 246 HA HIS 34 HA HIS 34 3.632 -3.746 -36.987 247 1HB HIS 34 1HB HIS 34 5.752 -1.723 -36.517 248 2HB HIS 34 2HB HIS 34 6.282 -3.393 -36.691 249 HD1 HIS 34 HD1 HIS 34 5.428 -0.468 -38.629 250 HD2 HIS 34 HD2 HIS 34 5.318 -4.578 -39.226 251 HE1 HIS 34 HE1 HIS 34 5.271 -0.782 -41.119 252 H SER 35 H SER 35 2.648 -4.785 -35.075 253 HA SER 35 HA SER 35 4.469 -6.420 -33.727 254 1HB SER 35 1HB SER 35 3.743 -5.415 -31.360 255 2HB SER 35 2HB SER 35 5.186 -4.859 -32.208 256 HG SER 35 HG SER 35 3.218 -3.380 -31.421 257 H LYS 36 H LYS 36 3.430 -7.894 -32.221 258 HA LYS 36 HA LYS 36 0.822 -8.615 -33.068 259 1HB LYS 36 1HB LYS 36 2.846 -9.988 -31.960 260 2HB LYS 36 2HB LYS 36 1.876 -9.716 -30.519 261 1HG LYS 36 1HG LYS 36 0.034 -10.883 -31.419 262 2HG LYS 36 2HG LYS 36 0.735 -10.889 -33.038 263 1HD LYS 36 1HD LYS 36 2.585 -12.104 -31.244 264 2HD LYS 36 2HD LYS 36 0.998 -12.837 -30.995 265 1HE LYS 36 1HE LYS 36 0.926 -12.984 -33.575 266 2HE LYS 36 2HE LYS 36 2.669 -12.740 -33.480 267 1HZ LYS 36 1HZ LYS 36 2.679 -14.966 -33.309 268 2HZ LYS 36 2HZ LYS 36 1.082 -15.056 -32.759 269 3HZ LYS 36 3HZ LYS 36 2.327 -14.674 -31.680 270 H SER 37 H SER 37 1.874 -7.944 -29.728 271 HA SER 37 HA SER 37 0.050 -5.916 -29.167 272 1HB SER 37 1HB SER 37 -1.789 -7.363 -29.483 273 2HB SER 37 2HB SER 37 -0.982 -8.704 -28.671 274 HG SER 37 HG SER 37 -2.563 -6.813 -27.623 275 H SER 38 H SER 38 -0.112 -5.438 -26.856 276 HA SER 38 HA SER 38 2.300 -5.590 -25.529 277 1HB SER 38 1HB SER 38 1.229 -4.136 -24.206 278 2HB SER 38 2HB SER 38 -0.296 -4.554 -24.987 279 HG SER 38 HG SER 38 -0.778 -5.886 -23.382 280 H LYS 39 H LYS 39 -0.601 -7.565 -24.928 281 HA LYS 39 HA LYS 39 0.352 -9.154 -22.885 282 1HB LYS 39 1HB LYS 39 -1.652 -9.569 -25.059 283 2HB LYS 39 2HB LYS 39 -1.185 -10.950 -24.076 284 1HG LYS 39 1HG LYS 39 -1.898 -8.494 -22.608 285 2HG LYS 39 2HG LYS 39 -3.210 -9.307 -23.464 286 1HD LYS 39 1HD LYS 39 -2.195 -11.446 -22.321 287 2HD LYS 39 2HD LYS 39 -1.541 -10.265 -21.185 288 1HE LYS 39 1HE LYS 39 -3.652 -9.581 -20.490 289 2HE LYS 39 2HE LYS 39 -4.439 -10.214 -21.935 290 1HZ LYS 39 1HZ LYS 39 -4.894 -12.038 -20.793 291 2HZ LYS 39 2HZ LYS 39 -4.023 -11.485 -19.452 292 3HZ LYS 39 3HZ LYS 39 -3.240 -12.368 -20.664 293 H ASP 40 H ASP 40 0.762 -9.578 -26.375 294 HA ASP 40 HA ASP 40 2.178 -12.047 -26.147 295 1HB ASP 40 1HB ASP 40 1.545 -10.132 -28.338 296 2HB ASP 40 2HB ASP 40 2.896 -11.235 -28.587 297 H MET 41 H MET 41 3.079 -8.668 -26.216 298 HA MET 41 HA MET 41 5.849 -9.051 -26.690 299 1HB MET 41 1HB MET 41 4.092 -6.824 -25.887 300 2HB MET 41 2HB MET 41 5.753 -6.698 -25.325 301 1HG MET 41 1HG MET 41 6.321 -5.904 -27.303 302 2HG MET 41 2HG MET 41 5.903 -7.460 -28.016 303 1HE MET 41 1HE MET 41 4.308 -3.844 -29.610 304 2HE MET 41 2HE MET 41 5.453 -3.842 -28.269 305 3HE MET 41 3HE MET 41 5.795 -4.786 -29.720 306 H GLU 42 H GLU 42 4.038 -8.373 -23.693 307 HA GLU 42 HA GLU 42 6.238 -8.595 -21.959 308 1HB GLU 42 1HB GLU 42 3.321 -9.122 -21.366 309 2HB GLU 42 2HB GLU 42 4.575 -8.826 -20.170 310 1HG GLU 42 1HG GLU 42 4.222 -6.654 -20.317 311 2HG GLU 42 2HG GLU 42 4.621 -6.690 -22.034 312 H SER 43 H SER 43 3.950 -10.984 -23.173 313 HA SER 43 HA SER 43 4.639 -13.119 -21.502 314 1HB SER 43 1HB SER 43 3.301 -12.819 -24.129 315 2HB SER 43 2HB SER 43 3.967 -14.414 -23.779 316 HG SER 43 HG SER 43 1.691 -13.712 -23.033 317 H HIS 44 H HIS 44 5.951 -12.160 -24.658 318 HA HIS 44 HA HIS 44 7.774 -14.281 -24.931 319 1HB HIS 44 1HB HIS 44 7.125 -12.800 -26.792 320 2HB HIS 44 2HB HIS 44 7.983 -11.467 -26.025 321 HD1 HIS 44 HD1 HIS 44 8.668 -14.839 -27.603 322 HD2 HIS 44 HD2 HIS 44 10.646 -11.319 -26.625 323 HE1 HIS 44 HE1 HIS 44 10.955 -15.046 -28.628 324 H VAL 45 H VAL 45 8.099 -11.080 -23.460 325 HA VAL 45 HA VAL 45 10.842 -11.117 -22.953 326 HB VAL 45 HB VAL 45 8.759 -9.873 -21.158 327 1HG1 VAL 45 1HG1 VAL 45 11.488 -10.023 -20.865 328 2HG1 VAL 45 2HG1 VAL 45 11.257 -8.449 -21.628 329 3HG1 VAL 45 3HG1 VAL 45 10.434 -8.825 -20.114 330 1HG2 VAL 45 1HG2 VAL 45 9.816 -7.953 -22.918 331 2HG2 VAL 45 2HG2 VAL 45 9.350 -9.333 -23.911 332 3HG2 VAL 45 3HG2 VAL 45 8.164 -8.566 -22.855 333 H PHE 46 H PHE 46 8.144 -12.361 -21.027 334 HA PHE 46 HA PHE 46 9.628 -13.095 -18.757 335 1HB PHE 46 1HB PHE 46 7.064 -12.975 -19.088 336 2HB PHE 46 2HB PHE 46 7.212 -14.621 -19.695 337 HD1 PHE 46 HD1 PHE 46 8.360 -16.331 -18.163 338 HD2 PHE 46 HD2 PHE 46 6.874 -12.578 -16.814 339 HE1 PHE 46 HE1 PHE 46 8.300 -17.188 -15.858 340 HE2 PHE 46 HE2 PHE 46 6.813 -13.428 -14.506 341 HZ PHE 46 HZ PHE 46 7.527 -15.736 -14.025 342 H LEU 47 H LEU 47 8.424 -15.188 -21.386 343 HA LEU 47 HA LEU 47 9.816 -17.485 -20.611 344 1HB LEU 47 1HB LEU 47 8.690 -16.549 -23.225 345 2HB LEU 47 2HB LEU 47 9.567 -18.073 -23.110 346 HG LEU 47 HG LEU 47 7.321 -17.647 -21.218 347 1HD1 LEU 47 1HD1 LEU 47 7.031 -17.533 -24.118 348 2HD1 LEU 47 2HD1 LEU 47 5.884 -17.122 -22.844 349 3HD1 LEU 47 3HD1 LEU 47 6.065 -18.799 -23.360 350 1HD2 LEU 47 1HD2 LEU 47 8.741 -19.877 -22.557 351 2HD2 LEU 47 2HD2 LEU 47 7.036 -20.114 -22.175 352 3HD2 LEU 47 3HD2 LEU 47 8.182 -19.724 -20.891 353 H LYS 48 H LYS 48 10.906 -14.622 -22.156 354 HA LYS 48 HA LYS 48 13.309 -15.856 -23.229 355 1HB LYS 48 1HB LYS 48 12.365 -14.120 -24.576 356 2HB LYS 48 2HB LYS 48 12.285 -13.017 -23.208 357 1HG LYS 48 1HG LYS 48 14.521 -12.530 -23.290 358 2HG LYS 48 2HG LYS 48 14.940 -14.068 -24.048 359 1HD LYS 48 1HD LYS 48 14.047 -13.338 -26.155 360 2HD LYS 48 2HD LYS 48 13.407 -11.864 -25.424 361 1HE LYS 48 1HE LYS 48 15.466 -10.870 -25.299 362 2HE LYS 48 2HE LYS 48 16.322 -12.408 -25.185 363 1HZ LYS 48 1HZ LYS 48 16.711 -12.313 -27.346 364 2HZ LYS 48 2HZ LYS 48 15.901 -10.833 -27.453 365 3HZ LYS 48 3HZ LYS 48 15.053 -12.279 -27.679 366 H ALA 49 H ALA 49 12.267 -14.204 -20.388 367 HA ALA 49 HA ALA 49 14.928 -13.460 -19.537 368 1HB ALA 49 1HB ALA 49 13.793 -12.023 -18.289 369 2HB ALA 49 2HB ALA 49 12.274 -12.759 -18.804 370 3HB ALA 49 3HB ALA 49 13.106 -13.362 -17.370 371 H LYS 50 H LYS 50 15.940 -14.269 -17.613 372 HA LYS 50 HA LYS 50 15.354 -17.114 -17.169 373 1HB LYS 50 1HB LYS 50 17.817 -15.528 -17.341 374 2HB LYS 50 2HB LYS 50 17.792 -16.656 -15.993 375 1HG LYS 50 1HG LYS 50 18.690 -17.991 -17.597 376 2HG LYS 50 2HG LYS 50 16.978 -18.333 -17.858 377 1HD LYS 50 1HD LYS 50 17.110 -16.342 -19.527 378 2HD LYS 50 2HD LYS 50 18.847 -16.651 -19.482 379 1HE LYS 50 1HE LYS 50 18.421 -18.123 -21.118 380 2HE LYS 50 2HE LYS 50 17.845 -19.163 -19.816 381 1HZ LYS 50 1HZ LYS 50 15.969 -17.255 -21.011 382 2HZ LYS 50 2HZ LYS 50 15.674 -18.781 -20.343 383 3HZ LYS 50 3HZ LYS 50 16.357 -18.650 -21.885 384 H THR 51 H THR 51 15.501 -14.025 -15.629 385 HA THR 51 HA THR 51 14.436 -15.189 -13.186 386 HB THR 51 HB THR 51 15.997 -14.043 -11.710 387 HG1 THR 51 HG1 THR 51 17.960 -13.176 -12.799 388 1HG2 THR 51 1HG2 THR 51 17.983 -15.400 -12.103 389 2HG2 THR 51 2HG2 THR 51 17.469 -15.700 -13.763 390 3HG2 THR 51 3HG2 THR 51 16.526 -16.341 -12.418 391 H ARG 52 H ARG 52 13.841 -13.384 -11.601 392 HA ARG 52 HA ARG 52 12.018 -11.662 -12.771 393 1HB ARG 52 1HB ARG 52 11.743 -10.668 -10.631 394 2HB ARG 52 2HB ARG 52 12.144 -12.356 -10.344 395 1HG ARG 52 1HG ARG 52 14.493 -11.679 -9.939 396 2HG ARG 52 2HG ARG 52 13.991 -9.994 -10.095 397 1HD ARG 52 1HD ARG 52 13.095 -9.954 -8.041 398 2HD ARG 52 2HD ARG 52 12.354 -11.541 -8.236 399 HE ARG 52 HE ARG 52 14.788 -10.955 -6.896 400 1HH1 ARG 52 1HH1 ARG 52 13.220 -13.356 -8.870 401 2HH1 ARG 52 2HH1 ARG 52 14.158 -14.672 -8.243 402 1HH2 ARG 52 1HH2 ARG 52 16.029 -12.679 -6.063 403 2HH2 ARG 52 2HH2 ARG 52 15.754 -14.285 -6.647 404 H ASP 53 H ASP 53 15.426 -11.244 -12.231 405 HA ASP 53 HA ASP 53 15.481 -8.412 -12.543 406 1HB ASP 53 1HB ASP 53 17.321 -9.430 -11.412 407 2HB ASP 53 2HB ASP 53 17.617 -10.535 -12.751 408 H GLU 54 H GLU 54 16.287 -11.106 -14.729 409 HA GLU 54 HA GLU 54 16.985 -9.658 -16.973 410 1HB GLU 54 1HB GLU 54 17.075 -12.177 -16.632 411 2HB GLU 54 2HB GLU 54 15.375 -12.205 -17.080 412 1HG GLU 54 1HG GLU 54 15.795 -11.689 -19.269 413 2HG GLU 54 2HG GLU 54 17.310 -10.867 -18.898 414 H TYR 55 H TYR 55 13.743 -10.840 -16.094 415 HA TYR 55 HA TYR 55 12.395 -9.722 -18.290 416 1HB TYR 55 1HB TYR 55 11.296 -11.417 -17.018 417 2HB TYR 55 2HB TYR 55 11.449 -10.492 -15.529 418 HD1 TYR 55 HD1 TYR 55 9.726 -10.611 -18.804 419 HD2 TYR 55 HD2 TYR 55 9.811 -8.899 -14.910 420 HE1 TYR 55 HE1 TYR 55 7.501 -9.637 -19.190 421 HE2 TYR 55 HE2 TYR 55 7.586 -7.921 -15.285 422 HH TYR 55 HH TYR 55 5.904 -8.316 -18.386 423 H LEU 56 H LEU 56 12.501 -8.546 -14.921 424 HA LEU 56 HA LEU 56 11.191 -6.150 -15.273 425 1HB LEU 56 1HB LEU 56 13.307 -7.078 -13.392 426 2HB LEU 56 2HB LEU 56 12.856 -5.375 -13.392 427 HG LEU 56 HG LEU 56 10.684 -7.392 -13.150 428 1HD1 LEU 56 1HD1 LEU 56 11.758 -8.396 -11.449 429 2HD1 LEU 56 2HD1 LEU 56 11.268 -6.962 -10.549 430 3HD1 LEU 56 3HD1 LEU 56 12.890 -7.061 -11.233 431 1HD2 LEU 56 1HD2 LEU 56 9.555 -5.525 -12.757 432 2HD2 LEU 56 2HD2 LEU 56 11.040 -4.577 -12.830 433 3HD2 LEU 56 3HD2 LEU 56 10.513 -5.273 -11.298 434 H SER 57 H SER 57 14.456 -7.006 -16.141 435 HA SER 57 HA SER 57 15.358 -4.323 -16.571 436 1HB SER 57 1HB SER 57 16.824 -6.358 -16.100 437 2HB SER 57 2HB SER 57 16.559 -6.815 -17.783 438 HG SER 57 HG SER 57 18.168 -4.869 -16.728 439 H LEU 58 H LEU 58 14.562 -6.996 -18.794 440 HA LEU 58 HA LEU 58 14.760 -5.521 -21.161 441 1HB LEU 58 1HB LEU 58 13.061 -7.925 -20.520 442 2HB LEU 58 2HB LEU 58 13.332 -7.298 -22.145 443 HG LEU 58 HG LEU 58 15.342 -8.586 -20.308 444 1HD1 LEU 58 1HD1 LEU 58 15.393 -9.712 -22.853 445 2HD1 LEU 58 2HD1 LEU 58 13.683 -9.486 -22.489 446 3HD1 LEU 58 3HD1 LEU 58 14.703 -10.416 -21.390 447 1HD2 LEU 58 1HD2 LEU 58 16.754 -8.234 -22.523 448 2HD2 LEU 58 2HD2 LEU 58 16.724 -7.030 -21.235 449 3HD2 LEU 58 3HD2 LEU 58 15.712 -6.818 -22.665 450 H VAL 59 H VAL 59 12.072 -5.977 -18.935 451 HA VAL 59 HA VAL 59 10.056 -4.831 -20.540 452 HB VAL 59 HB VAL 59 10.251 -4.949 -17.527 453 1HG1 VAL 59 1HG1 VAL 59 7.586 -4.971 -18.208 454 2HG1 VAL 59 2HG1 VAL 59 8.481 -3.585 -17.581 455 3HG1 VAL 59 3HG1 VAL 59 8.272 -3.788 -19.321 456 1HG2 VAL 59 1HG2 VAL 59 9.556 -7.074 -17.613 457 2HG2 VAL 59 2HG2 VAL 59 8.388 -6.736 -18.891 458 3HG2 VAL 59 3HG2 VAL 59 10.077 -7.037 -19.298 459 H ALA 60 H ALA 60 11.854 -3.408 -17.803 460 HA ALA 60 HA ALA 60 10.892 -0.836 -17.930 461 1HB ALA 60 1HB ALA 60 12.229 -1.086 -16.115 462 2HB ALA 60 2HB ALA 60 13.422 -2.051 -16.985 463 3HB ALA 60 3HB ALA 60 13.391 -0.299 -17.184 464 H ARG 61 H ARG 61 13.837 -2.036 -19.552 465 HA ARG 61 HA ARG 61 14.546 0.247 -20.915 466 1HB ARG 61 1HB ARG 61 15.515 -2.269 -20.833 467 2HB ARG 61 2HB ARG 61 14.792 -2.281 -22.437 468 1HG ARG 61 1HG ARG 61 16.113 -0.306 -23.037 469 2HG ARG 61 2HG ARG 61 16.854 -0.328 -21.435 470 1HD ARG 61 1HD ARG 61 18.410 -1.412 -22.797 471 2HD ARG 61 2HD ARG 61 17.549 -2.727 -21.999 472 HE ARG 61 HE ARG 61 16.804 -3.412 -24.044 473 1HH1 ARG 61 1HH1 ARG 61 17.845 -0.098 -24.286 474 2HH1 ARG 61 2HH1 ARG 61 17.641 -0.023 -26.004 475 1HH2 ARG 61 1HH2 ARG 61 16.532 -3.325 -26.307 476 2HH2 ARG 61 2HH2 ARG 61 16.893 -1.859 -27.153 477 H LEU 62 H LEU 62 12.258 -2.267 -21.930 478 HA LEU 62 HA LEU 62 11.674 -1.262 -24.470 479 1HB LEU 62 1HB LEU 62 10.988 -3.469 -23.816 480 2HB LEU 62 2HB LEU 62 9.964 -2.817 -22.538 481 HG LEU 62 HG LEU 62 9.235 -1.819 -25.173 482 1HD1 LEU 62 1HD1 LEU 62 9.806 -3.829 -26.155 483 2HD1 LEU 62 2HD1 LEU 62 8.129 -4.108 -25.689 484 3HD1 LEU 62 3HD1 LEU 62 9.438 -4.764 -24.706 485 1HD2 LEU 62 1HD2 LEU 62 7.034 -2.930 -24.293 486 2HD2 LEU 62 2HD2 LEU 62 7.649 -1.451 -23.553 487 3HD2 LEU 62 3HD2 LEU 62 7.925 -3.009 -22.773 488 H ILE 63 H ILE 63 9.903 -0.763 -21.416 489 HA ILE 63 HA ILE 63 7.995 1.017 -22.405 490 HB ILE 63 HB ILE 63 9.155 0.656 -19.654 491 1HG1 ILE 63 1HG1 ILE 63 6.393 0.113 -20.764 492 2HG1 ILE 63 2HG1 ILE 63 7.664 -1.097 -20.623 493 1HG2 ILE 63 1HG2 ILE 63 6.906 2.062 -19.172 494 2HG2 ILE 63 2HG2 ILE 63 8.513 2.781 -19.265 495 3HG2 ILE 63 3HG2 ILE 63 7.444 2.828 -20.666 496 1HD1 ILE 63 1HD1 ILE 63 7.687 -0.554 -18.144 497 2HD1 ILE 63 2HD1 ILE 63 6.174 0.306 -18.435 498 3HD1 ILE 63 3HD1 ILE 63 6.284 -1.423 -18.766 499 H ILE 64 H ILE 64 11.108 1.706 -20.822 500 HA ILE 64 HA ILE 64 10.989 4.481 -20.884 501 HB ILE 64 HB ILE 64 13.387 2.662 -21.100 502 1HG1 ILE 64 1HG1 ILE 64 12.960 4.262 -18.679 503 2HG1 ILE 64 2HG1 ILE 64 11.675 3.100 -18.992 504 1HG2 ILE 64 1HG2 ILE 64 14.213 4.655 -21.958 505 2HG2 ILE 64 2HG2 ILE 64 13.194 5.642 -20.913 506 3HG2 ILE 64 3HG2 ILE 64 14.578 4.783 -20.238 507 1HD1 ILE 64 1HD1 ILE 64 13.931 1.610 -19.399 508 2HD1 ILE 64 2HD1 ILE 64 14.401 2.676 -18.075 509 3HD1 ILE 64 3HD1 ILE 64 12.974 1.651 -17.918 510 H HIS 65 H HIS 65 12.280 2.244 -23.325 511 HA HIS 65 HA HIS 65 13.203 4.146 -25.146 512 1HB HIS 65 1HB HIS 65 13.142 1.407 -25.054 513 2HB HIS 65 2HB HIS 65 12.019 1.750 -26.367 514 HD1 HIS 65 HD1 HIS 65 15.554 2.747 -25.361 515 HD2 HIS 65 HD2 HIS 65 13.251 2.064 -28.751 516 HE1 HIS 65 HE1 HIS 65 17.132 2.982 -27.304 517 H PHE 66 H PHE 66 9.985 2.860 -24.602 518 HA PHE 66 HA PHE 66 8.802 3.910 -26.957 519 1HB PHE 66 1HB PHE 66 7.793 2.784 -24.385 520 2HB PHE 66 2HB PHE 66 6.671 3.695 -25.390 521 HD1 PHE 66 HD1 PHE 66 6.841 3.002 -27.989 522 HD2 PHE 66 HD2 PHE 66 7.808 0.517 -24.671 523 HE1 PHE 66 HE1 PHE 66 6.463 1.006 -29.377 524 HE2 PHE 66 HE2 PHE 66 7.431 -1.482 -26.054 525 HZ PHE 66 HZ PHE 66 6.759 -1.240 -28.410 526 H ARG 67 H ARG 67 8.966 5.082 -23.610 527 HA ARG 67 HA ARG 67 7.432 7.400 -23.967 528 1HB ARG 67 1HB ARG 67 9.665 6.793 -22.025 529 2HB ARG 67 2HB ARG 67 8.660 8.234 -21.937 530 1HG ARG 67 1HG ARG 67 6.968 7.132 -20.991 531 2HG ARG 67 2HG ARG 67 7.123 5.763 -22.093 532 1HD ARG 67 1HD ARG 67 8.434 4.601 -20.671 533 2HD ARG 67 2HD ARG 67 9.283 6.043 -20.115 534 HE ARG 67 HE ARG 67 7.026 4.798 -18.885 535 1HH1 ARG 67 1HH1 ARG 67 8.640 7.842 -19.384 536 2HH1 ARG 67 2HH1 ARG 67 8.006 8.563 -17.941 537 1HH2 ARG 67 1HH2 ARG 67 6.185 5.736 -16.983 538 2HH2 ARG 67 2HH2 ARG 67 6.610 7.364 -16.576 539 H ASP 68 H ASP 68 10.781 6.701 -24.664 540 HA ASP 68 HA ASP 68 11.594 9.416 -25.019 541 1HB ASP 68 1HB ASP 68 13.239 7.696 -24.505 542 2HB ASP 68 2HB ASP 68 12.838 6.834 -25.988 543 H ILE 69 H ILE 69 10.767 6.789 -27.272 544 HA ILE 69 HA ILE 69 11.155 8.097 -29.668 545 HB ILE 69 HB ILE 69 8.962 6.128 -29.007 546 1HG1 ILE 69 1HG1 ILE 69 11.420 5.373 -30.502 547 2HG1 ILE 69 2HG1 ILE 69 11.587 5.651 -28.772 548 1HG2 ILE 69 1HG2 ILE 69 9.987 7.208 -31.611 549 2HG2 ILE 69 2HG2 ILE 69 9.189 5.640 -31.509 550 3HG2 ILE 69 3HG2 ILE 69 8.324 7.102 -31.036 551 1HD1 ILE 69 1HD1 ILE 69 10.375 3.427 -30.206 552 2HD1 ILE 69 2HD1 ILE 69 11.024 3.509 -28.567 553 3HD1 ILE 69 3HD1 ILE 69 9.377 4.051 -28.893 554 H HIS 70 H HIS 70 8.213 8.054 -27.671 555 HA HIS 70 HA HIS 70 6.784 9.826 -29.404 556 1HB HIS 70 1HB HIS 70 5.506 8.297 -28.071 557 2HB HIS 70 2HB HIS 70 6.263 8.867 -26.587 558 HD1 HIS 70 HD1 HIS 70 3.787 9.953 -29.218 559 HD2 HIS 70 HD2 HIS 70 5.049 11.039 -25.412 560 HE1 HIS 70 HE1 HIS 70 2.149 11.694 -28.437 561 H ASN 71 H ASN 71 8.892 10.197 -26.663 562 HA ASN 71 HA ASN 71 8.148 12.815 -25.912 563 1HB ASN 71 1HB ASN 71 10.413 10.990 -25.377 564 2HB ASN 71 2HB ASN 71 10.762 12.706 -25.194 565 1HD2 ASN 71 1HD2 ASN 71 11.064 12.307 -22.958 566 2HD2 ASN 71 2HD2 ASN 71 9.707 12.157 -21.899 567 H LYS 72 H LYS 72 10.130 11.563 -28.470 568 HA LYS 72 HA LYS 72 11.668 13.838 -29.049 569 1HB LYS 72 1HB LYS 72 11.379 11.287 -30.111 570 2HB LYS 72 2HB LYS 72 10.865 12.346 -31.418 571 1HG LYS 72 1HG LYS 72 13.007 12.584 -31.931 572 2HG LYS 72 2HG LYS 72 13.181 13.526 -30.448 573 1HD LYS 72 1HD LYS 72 13.932 11.659 -29.227 574 2HD LYS 72 2HD LYS 72 13.385 10.527 -30.466 575 1HE LYS 72 1HE LYS 72 15.616 12.532 -30.789 576 2HE LYS 72 2HE LYS 72 15.830 10.812 -30.466 577 1HZ LYS 72 1HZ LYS 72 14.190 10.903 -32.650 578 2HZ LYS 72 2HZ LYS 72 15.845 10.555 -32.658 579 3HZ LYS 72 3HZ LYS 72 15.312 12.136 -32.940 580 H LYS 73 H LYS 73 11.236 14.570 -31.628 581 HA LYS 73 HA LYS 73 9.389 16.614 -31.467 582 1HB LYS 73 1HB LYS 73 11.242 15.797 -33.318 583 2HB LYS 73 2HB LYS 73 9.731 15.550 -34.182 584 1HG LYS 73 1HG LYS 73 9.112 17.879 -33.762 585 2HG LYS 73 2HG LYS 73 10.638 18.125 -32.909 586 1HD LYS 73 1HD LYS 73 11.902 17.823 -34.881 587 2HD LYS 73 2HD LYS 73 10.519 17.162 -35.757 588 1HE LYS 73 1HE LYS 73 9.710 19.690 -34.880 589 2HE LYS 73 2HE LYS 73 11.364 19.902 -35.452 590 1HZ LYS 73 1HZ LYS 73 10.733 19.633 -37.556 591 2HZ LYS 73 2HZ LYS 73 9.147 19.856 -37.013 592 3HZ LYS 73 3HZ LYS 73 9.762 18.292 -37.206 593 H SER 74 H SER 74 8.976 13.560 -33.267 594 HA SER 74 HA SER 74 6.348 13.097 -32.418 595 1HB SER 74 1HB SER 74 6.632 14.947 -34.687 596 2HB SER 74 2HB SER 74 5.539 13.596 -34.989 597 HG SER 74 HG SER 74 4.621 15.555 -33.980 598 H GLN 75 H GLN 75 7.653 12.941 -35.722 599 HA GLN 75 HA GLN 75 8.033 11.182 -37.117 600 1HB GLN 75 1HB GLN 75 9.767 10.900 -35.177 601 2HB GLN 75 2HB GLN 75 8.782 9.507 -34.748 602 1HG GLN 75 1HG GLN 75 9.204 9.273 -37.490 603 2HG GLN 75 2HG GLN 75 10.751 9.798 -36.827 604 1HE2 GLN 75 1HE2 GLN 75 8.412 7.267 -36.985 605 2HE2 GLN 75 2HE2 GLN 75 9.341 6.065 -36.162 606 H ALA 76 H ALA 76 5.386 11.436 -35.839 607 HA ALA 76 HA ALA 76 4.223 9.060 -36.829 608 1HB ALA 76 1HB ALA 76 3.429 8.014 -34.829 609 2HB ALA 76 2HB ALA 76 5.180 8.187 -34.699 610 3HB ALA 76 3HB ALA 76 4.118 9.292 -33.827 611 H SER 77 H SER 77 1.835 8.957 -35.543 612 HA SER 77 HA SER 77 0.755 11.648 -36.033 613 1HB SER 77 1HB SER 77 -1.085 9.327 -35.878 614 2HB SER 77 2HB SER 77 -1.091 10.700 -36.984 615 HG SER 77 HG SER 77 0.674 8.477 -37.081 616 H VAL 78 H VAL 78 -0.337 12.720 -34.488 617 HA VAL 78 HA VAL 78 -1.317 11.326 -32.131 618 HB VAL 78 HB VAL 78 1.044 11.907 -31.599 619 1HG1 VAL 78 1HG1 VAL 78 1.918 13.958 -31.854 620 2HG1 VAL 78 2HG1 VAL 78 0.561 14.221 -32.950 621 3HG1 VAL 78 3HG1 VAL 78 0.459 14.760 -31.274 622 1HG2 VAL 78 1HG2 VAL 78 -0.061 13.653 -29.675 623 2HG2 VAL 78 2HG2 VAL 78 -1.311 12.480 -30.090 624 3HG2 VAL 78 3HG2 VAL 78 0.264 11.927 -29.519 Start of MODEL 5 1 1H GLY 2 HT1 GLY 2 6.604 3.551 -10.806 2 1HA GLY 2 1HA GLY 2 7.067 1.165 -10.156 3 2HA GLY 2 2HA GLY 2 8.350 2.274 -9.696 4 H ALA 3 H ALA 3 5.193 2.140 -8.160 5 HA ALA 3 HA ALA 3 6.361 1.892 -5.571 6 1HB ALA 3 1HB ALA 3 3.993 1.724 -4.804 7 2HB ALA 3 2HB ALA 3 4.335 3.141 -5.798 8 3HB ALA 3 3HB ALA 3 3.497 1.756 -6.497 9 H MET 4 H MET 4 6.729 0.132 -4.360 10 HA MET 4 HA MET 4 6.892 -2.042 -3.716 11 1HB MET 4 1HB MET 4 4.276 -1.689 -4.047 12 2HB MET 4 2HB MET 4 4.530 -2.850 -5.343 13 1HG MET 4 1HG MET 4 5.720 -4.262 -3.549 14 2HG MET 4 2HG MET 4 4.905 -3.204 -2.399 15 1HE MET 4 1HE MET 4 1.623 -4.650 -1.924 16 2HE MET 4 2HE MET 4 3.006 -3.704 -1.375 17 3HE MET 4 3HE MET 4 1.890 -3.028 -2.562 18 H GLY 5 H GLY 5 8.713 -2.773 -4.684 19 1HA GLY 5 1HA GLY 5 8.377 -4.458 -7.024 20 2HA GLY 5 2HA GLY 5 9.428 -3.067 -7.253 21 H GLN 6 H GLN 6 8.976 -5.408 -4.601 22 HA GLN 6 HA GLN 6 11.723 -6.318 -4.957 23 1HB GLN 6 1HB GLN 6 10.698 -4.830 -2.574 24 2HB GLN 6 2HB GLN 6 11.899 -6.093 -2.342 25 1HG GLN 6 1HG GLN 6 13.518 -4.950 -3.560 26 2HG GLN 6 2HG GLN 6 12.329 -3.903 -4.334 27 1HE2 GLN 6 1HE2 GLN 6 11.404 -2.207 -3.126 28 2HE2 GLN 6 2HE2 GLN 6 12.191 -1.574 -1.725 29 H GLU 7 H GLU 7 11.378 -8.430 -5.237 30 HA GLU 7 HA GLU 7 10.559 -10.088 -3.125 31 1HB GLU 7 1HB GLU 7 8.422 -9.085 -4.798 32 2HB GLU 7 2HB GLU 7 8.534 -10.836 -4.912 33 1HG GLU 7 1HG GLU 7 7.546 -11.072 -2.952 34 2HG GLU 7 2HG GLU 7 8.760 -10.056 -2.175 35 H THR 8 H THR 8 10.337 -12.402 -3.838 36 HA THR 8 HA THR 8 12.120 -12.868 -6.131 37 HB THR 8 HB THR 8 11.680 -15.177 -4.415 38 HG1 THR 8 HG1 THR 8 11.713 -14.054 -2.603 39 1HG2 THR 8 1HG2 THR 8 13.494 -15.161 -5.958 40 2HG2 THR 8 2HG2 THR 8 14.199 -15.057 -4.345 41 3HG2 THR 8 3HG2 THR 8 14.081 -13.613 -5.350 42 H ASP 9 H ASP 9 9.178 -12.485 -6.229 43 HA ASP 9 HA ASP 9 8.539 -15.001 -7.604 44 1HB ASP 9 1HB ASP 9 6.107 -14.518 -6.804 45 2HB ASP 9 2HB ASP 9 7.237 -15.295 -5.699 46 H TRP 10 H TRP 10 9.398 -13.436 -9.312 47 HA TRP 10 HA TRP 10 7.674 -11.298 -10.131 48 1HB TRP 10 1HB TRP 10 9.177 -10.990 -11.953 49 2HB TRP 10 2HB TRP 10 10.165 -11.433 -10.564 50 HD1 TRP 10 HD1 TRP 10 10.682 -14.271 -10.502 51 HE1 TRP 10 HE1 TRP 10 11.481 -15.709 -12.482 52 HE3 TRP 10 HE3 TRP 10 9.227 -11.235 -14.349 53 HZ2 TRP 10 HZ2 TRP 10 11.492 -15.574 -15.302 54 HZ3 TRP 10 HZ3 TRP 10 9.669 -11.962 -16.658 55 HH2 TRP 10 HH2 TRP 10 10.779 -14.087 -17.122 56 H ARG 11 H ARG 11 7.386 -14.595 -10.325 57 HA ARG 11 HA ARG 11 6.101 -14.660 -12.934 58 1HB ARG 11 1HB ARG 11 6.295 -16.892 -10.910 59 2HB ARG 11 2HB ARG 11 5.942 -17.033 -12.627 60 1HG ARG 11 1HG ARG 11 8.204 -16.285 -13.159 61 2HG ARG 11 2HG ARG 11 8.558 -16.133 -11.436 62 1HD ARG 11 1HD ARG 11 7.589 -18.726 -12.581 63 2HD ARG 11 2HD ARG 11 9.290 -18.275 -12.690 64 HE ARG 11 HE ARG 11 7.884 -19.157 -10.355 65 1HH1 ARG 11 1HH1 ARG 11 10.556 -17.244 -11.505 66 2HH1 ARG 11 2HH1 ARG 11 11.459 -17.386 -10.033 67 1HH2 ARG 11 1HH2 ARG 11 9.064 -19.351 -8.413 68 2HH2 ARG 11 2HH2 ARG 11 10.610 -18.585 -8.276 69 H SER 12 H SER 12 5.243 -13.985 -9.753 70 HA SER 12 HA SER 12 2.738 -15.128 -9.434 71 1HB SER 12 1HB SER 12 2.571 -13.794 -7.605 72 2HB SER 12 2HB SER 12 4.251 -13.405 -7.969 73 HG SER 12 HG SER 12 2.215 -11.751 -7.881 74 H THR 13 H THR 13 0.666 -14.572 -10.007 75 HA THR 13 HA THR 13 0.180 -13.507 -12.503 76 HB THR 13 HB THR 13 -1.886 -13.239 -10.343 77 HG1 THR 13 HG1 THR 13 -0.647 -15.575 -11.267 78 1HG2 THR 13 1HG2 THR 13 -3.335 -14.113 -12.193 79 2HG2 THR 13 2HG2 THR 13 -1.932 -14.019 -13.257 80 3HG2 THR 13 3HG2 THR 13 -2.587 -12.553 -12.528 81 H ALA 14 H ALA 14 -0.174 -11.876 -9.358 82 HA ALA 14 HA ALA 14 -1.076 -9.414 -10.240 83 1HB ALA 14 1HB ALA 14 0.793 -9.939 -7.932 84 2HB ALA 14 2HB ALA 14 -0.193 -8.495 -8.165 85 3HB ALA 14 3HB ALA 14 -0.966 -10.055 -7.881 86 H PHE 15 H PHE 15 2.298 -10.441 -9.735 87 HA PHE 15 HA PHE 15 3.584 -8.107 -10.452 88 1HB PHE 15 1HB PHE 15 4.479 -10.472 -9.662 89 2HB PHE 15 2HB PHE 15 4.734 -10.698 -11.390 90 HD1 PHE 15 HD1 PHE 15 5.968 -8.694 -12.581 91 HD2 PHE 15 HD2 PHE 15 6.172 -9.553 -8.418 92 HE1 PHE 15 HE1 PHE 15 8.086 -7.451 -12.432 93 HE2 PHE 15 HE2 PHE 15 8.290 -8.310 -8.262 94 HZ PHE 15 HZ PHE 15 9.249 -7.256 -10.270 95 H ARG 16 H ARG 16 3.261 -10.887 -12.662 96 HA ARG 16 HA ARG 16 3.942 -9.558 -14.990 97 1HB ARG 16 1HB ARG 16 3.642 -12.049 -14.664 98 2HB ARG 16 2HB ARG 16 1.912 -11.787 -14.840 99 1HG ARG 16 1HG ARG 16 2.414 -10.750 -17.081 100 2HG ARG 16 2HG ARG 16 4.063 -11.351 -16.891 101 1HD ARG 16 1HD ARG 16 2.658 -13.588 -16.335 102 2HD ARG 16 2HD ARG 16 1.564 -12.803 -17.473 103 HE ARG 16 HE ARG 16 4.141 -12.740 -18.552 104 1HH1 ARG 16 1HH1 ARG 16 1.672 -15.053 -17.731 105 2HH1 ARG 16 2HH1 ARG 16 2.143 -16.186 -18.955 106 1HH2 ARG 16 1HH2 ARG 16 4.771 -14.223 -20.166 107 2HH2 ARG 16 2HH2 ARG 16 3.907 -15.713 -20.338 108 H GLN 17 H GLN 17 0.711 -10.041 -13.593 109 HA GLN 17 HA GLN 17 -0.839 -8.915 -15.573 110 1HB GLN 17 1HB GLN 17 -1.721 -10.027 -13.545 111 2HB GLN 17 2HB GLN 17 -1.256 -8.624 -12.593 112 1HG GLN 17 1HG GLN 17 -3.120 -8.388 -14.925 113 2HG GLN 17 2HG GLN 17 -3.693 -8.832 -13.318 114 1HE2 GLN 17 1HE2 GLN 17 -3.540 -6.345 -15.313 115 2HE2 GLN 17 2HE2 GLN 17 -3.358 -5.035 -14.201 116 H LYS 18 H LYS 18 0.391 -7.197 -12.696 117 HA LYS 18 HA LYS 18 -0.398 -4.644 -13.376 118 1HB LYS 18 1HB LYS 18 1.666 -5.816 -11.632 119 2HB LYS 18 2HB LYS 18 1.986 -4.162 -12.138 120 1HG LYS 18 1HG LYS 18 -0.026 -3.378 -11.165 121 2HG LYS 18 2HG LYS 18 -0.618 -5.021 -10.907 122 1HD LYS 18 1HD LYS 18 1.587 -5.240 -9.488 123 2HD LYS 18 2HD LYS 18 1.447 -3.482 -9.405 124 1HE LYS 18 1HE LYS 18 -0.825 -5.329 -8.717 125 2HE LYS 18 2HE LYS 18 0.365 -4.804 -7.527 126 1HZ LYS 18 1HZ LYS 18 -1.559 -3.130 -9.031 127 2HZ LYS 18 2HZ LYS 18 -0.245 -2.473 -8.195 128 3HZ LYS 18 3HZ LYS 18 -1.438 -3.328 -7.355 129 H LEU 19 H LEU 19 2.680 -6.239 -14.175 130 HA LEU 19 HA LEU 19 3.851 -4.123 -15.566 131 1HB LEU 19 1HB LEU 19 4.171 -7.089 -15.624 132 2HB LEU 19 2HB LEU 19 4.985 -6.111 -16.843 133 HG LEU 19 HG LEU 19 6.135 -6.828 -14.544 134 1HD1 LEU 19 1HD1 LEU 19 7.243 -5.706 -16.386 135 2HD1 LEU 19 2HD1 LEU 19 7.665 -4.937 -14.856 136 3HD1 LEU 19 3HD1 LEU 19 6.493 -4.175 -15.931 137 1HD2 LEU 19 1HD2 LEU 19 4.973 -4.116 -13.929 138 2HD2 LEU 19 2HD2 LEU 19 6.061 -5.065 -12.916 139 3HD2 LEU 19 3HD2 LEU 19 4.415 -5.627 -13.212 140 H VAL 20 H VAL 20 1.793 -6.763 -16.748 141 HA VAL 20 HA VAL 20 1.875 -6.275 -19.460 142 HB VAL 20 HB VAL 20 -0.308 -7.320 -17.687 143 1HG1 VAL 20 1HG1 VAL 20 -1.565 -6.233 -19.377 144 2HG1 VAL 20 2HG1 VAL 20 -0.472 -6.791 -20.646 145 3HG1 VAL 20 3HG1 VAL 20 -1.517 -7.941 -19.810 146 1HG2 VAL 20 1HG2 VAL 20 1.485 -8.840 -18.053 147 2HG2 VAL 20 2HG2 VAL 20 0.142 -9.377 -19.062 148 3HG2 VAL 20 3HG2 VAL 20 1.496 -8.509 -19.785 149 H SER 21 H SER 21 -0.259 -4.783 -17.044 150 HA SER 21 HA SER 21 -1.753 -3.201 -18.807 151 1HB SER 21 1HB SER 21 -1.029 -2.510 -15.951 152 2HB SER 21 2HB SER 21 -2.421 -1.926 -16.863 153 HG SER 21 HG SER 21 -3.271 -3.574 -15.781 154 H GLN 22 H GLN 22 1.205 -2.451 -16.989 155 HA GLN 22 HA GLN 22 1.499 0.209 -17.703 156 1HB GLN 22 1HB GLN 22 3.689 -1.839 -17.317 157 2HB GLN 22 2HB GLN 22 3.898 -0.094 -17.263 158 1HG GLN 22 1HG GLN 22 2.536 -1.890 -15.304 159 2HG GLN 22 2HG GLN 22 3.810 -0.703 -15.032 160 1HE2 GLN 22 1HE2 GLN 22 0.827 -1.260 -14.199 161 2HE2 GLN 22 2HE2 GLN 22 0.155 0.331 -14.190 162 H ILE 23 H ILE 23 2.770 -2.663 -19.376 163 HA ILE 23 HA ILE 23 4.023 -1.313 -21.483 164 HB ILE 23 HB ILE 23 2.800 -4.074 -21.461 165 1HG1 ILE 23 1HG1 ILE 23 5.683 -3.950 -21.479 166 2HG1 ILE 23 2HG1 ILE 23 5.045 -3.021 -20.126 167 1HG2 ILE 23 1HG2 ILE 23 4.376 -2.593 -23.507 168 2HG2 ILE 23 2HG2 ILE 23 4.645 -4.325 -23.316 169 3HG2 ILE 23 3HG2 ILE 23 3.036 -3.722 -23.712 170 1HD1 ILE 23 1HD1 ILE 23 5.048 -5.918 -20.601 171 2HD1 ILE 23 2HD1 ILE 23 5.107 -5.008 -19.092 172 3HD1 ILE 23 3HD1 ILE 23 3.566 -5.258 -19.911 173 H GLU 24 H GLU 24 0.689 -2.308 -21.023 174 HA GLU 24 HA GLU 24 -0.143 -1.813 -23.703 175 1HB GLU 24 1HB GLU 24 -1.265 -3.105 -21.610 176 2HB GLU 24 2HB GLU 24 -2.140 -1.582 -21.533 177 1HG GLU 24 1HG GLU 24 -2.129 -2.356 -24.233 178 2HG GLU 24 2HG GLU 24 -2.516 -3.797 -23.295 179 H ASP 25 H ASP 25 0.231 0.144 -20.854 180 HA ASP 25 HA ASP 25 -1.370 2.332 -21.768 181 1HB ASP 25 1HB ASP 25 -0.822 1.850 -19.358 182 2HB ASP 25 2HB ASP 25 0.819 2.399 -19.686 183 H ALA 26 H ALA 26 2.135 1.749 -21.575 184 HA ALA 26 HA ALA 26 2.955 4.173 -22.714 185 1HB ALA 26 1HB ALA 26 4.787 2.129 -23.456 186 2HB ALA 26 2HB ALA 26 4.936 3.336 -22.177 187 3HB ALA 26 3HB ALA 26 4.184 1.777 -21.836 188 H MET 27 H MET 27 2.215 1.045 -24.209 189 HA MET 27 HA MET 27 2.945 1.757 -26.837 190 1HB MET 27 1HB MET 27 1.778 -0.496 -25.514 191 2HB MET 27 2HB MET 27 0.827 -0.127 -26.946 192 1HG MET 27 1HG MET 27 3.336 0.038 -27.944 193 2HG MET 27 2HG MET 27 3.546 -1.195 -26.703 194 1HE MET 27 1HE MET 27 0.021 -0.994 -29.115 195 2HE MET 27 2HE MET 27 1.358 0.128 -29.371 196 3HE MET 27 3HE MET 27 1.109 -1.216 -30.486 197 H ARG 28 H ARG 28 -0.169 1.851 -25.140 198 HA ARG 28 HA ARG 28 -1.827 2.597 -27.215 199 1HB ARG 28 1HB ARG 28 -2.798 2.082 -25.106 200 2HB ARG 28 2HB ARG 28 -1.875 3.339 -24.294 201 1HG ARG 28 1HG ARG 28 -3.439 4.859 -24.694 202 2HG ARG 28 2HG ARG 28 -3.509 4.436 -26.406 203 1HD ARG 28 1HD ARG 28 -5.044 2.645 -25.958 204 2HD ARG 28 2HD ARG 28 -4.863 2.867 -24.219 205 HE ARG 28 HE ARG 28 -5.823 5.208 -25.573 206 1HH1 ARG 28 1HH1 ARG 28 -6.732 2.179 -24.118 207 2HH1 ARG 28 2HH1 ARG 28 -8.357 2.679 -23.782 208 1HH2 ARG 28 1HH2 ARG 28 -7.959 5.878 -25.136 209 2HH2 ARG 28 2HH2 ARG 28 -9.054 4.783 -24.363 210 H LYS 29 H LYS 29 -0.090 4.778 -24.992 211 HA LYS 29 HA LYS 29 -0.805 7.127 -26.443 212 1HB LYS 29 1HB LYS 29 0.880 6.468 -24.103 213 2HB LYS 29 2HB LYS 29 1.336 7.919 -24.986 214 1HG LYS 29 1HG LYS 29 -0.596 9.025 -24.444 215 2HG LYS 29 2HG LYS 29 -1.517 7.535 -24.228 216 1HD LYS 29 1HD LYS 29 -0.226 7.078 -22.170 217 2HD LYS 29 2HD LYS 29 0.603 8.623 -22.375 218 1HE LYS 29 1HE LYS 29 -1.230 8.805 -20.772 219 2HE LYS 29 2HE LYS 29 -1.526 9.798 -22.198 220 1HZ LYS 29 1HZ LYS 29 -2.595 7.102 -22.295 221 2HZ LYS 29 2HZ LYS 29 -3.286 8.560 -22.802 222 3HZ LYS 29 3HZ LYS 29 -3.322 8.131 -21.166 223 H ALA 30 H ALA 30 1.858 4.877 -26.555 224 HA ALA 30 HA ALA 30 3.719 6.442 -27.961 225 1HB ALA 30 1HB ALA 30 4.625 4.203 -28.714 226 2HB ALA 30 2HB ALA 30 4.494 4.443 -26.971 227 3HB ALA 30 3HB ALA 30 3.294 3.468 -27.819 228 H GLY 31 H GLY 31 0.849 4.770 -28.990 229 1HA GLY 31 1HA GLY 31 -0.165 4.552 -31.040 230 2HA GLY 31 2HA GLY 31 0.569 6.110 -31.391 231 H VAL 32 H VAL 32 1.098 2.621 -31.503 232 HA VAL 32 HA VAL 32 2.898 3.058 -33.790 233 HB VAL 32 HB VAL 32 4.073 0.911 -33.006 234 1HG1 VAL 32 1HG1 VAL 32 5.737 2.252 -32.350 235 2HG1 VAL 32 2HG1 VAL 32 4.611 3.579 -32.639 236 3HG1 VAL 32 3HG1 VAL 32 4.795 2.915 -31.015 237 1HG2 VAL 32 1HG2 VAL 32 2.479 0.248 -31.305 238 2HG2 VAL 32 2HG2 VAL 32 4.051 0.559 -30.567 239 3HG2 VAL 32 3HG2 VAL 32 2.759 1.750 -30.423 240 H ALA 33 H ALA 33 0.780 0.775 -32.096 241 HA ALA 33 HA ALA 33 -0.461 -0.995 -32.827 242 1HB ALA 33 1HB ALA 33 -1.542 -0.569 -35.119 243 2HB ALA 33 2HB ALA 33 -1.882 0.566 -33.813 244 3HB ALA 33 3HB ALA 33 -0.712 0.986 -35.063 245 H HIS 34 H HIS 34 2.226 -1.502 -33.073 246 HA HIS 34 HA HIS 34 2.233 -3.338 -35.336 247 1HB HIS 34 1HB HIS 34 4.258 -1.153 -34.909 248 2HB HIS 34 2HB HIS 34 4.677 -2.629 -35.774 249 HD1 HIS 34 HD1 HIS 34 2.080 -2.973 -37.417 250 HD2 HIS 34 HD2 HIS 34 4.135 0.612 -36.984 251 HE1 HIS 34 HE1 HIS 34 1.424 -1.578 -39.404 252 H SER 35 H SER 35 1.848 -4.021 -32.725 253 HA SER 35 HA SER 35 4.196 -5.655 -32.216 254 1HB SER 35 1HB SER 35 3.100 -4.245 -29.824 255 2HB SER 35 2HB SER 35 4.725 -4.863 -30.117 256 HG SER 35 HG SER 35 5.269 -2.997 -30.912 257 H LYS 36 H LYS 36 1.229 -5.800 -32.931 258 HA LYS 36 HA LYS 36 -0.402 -7.370 -32.658 259 1HB LYS 36 1HB LYS 36 1.783 -8.727 -31.909 260 2HB LYS 36 2HB LYS 36 0.945 -8.694 -30.363 261 1HG LYS 36 1HG LYS 36 -0.345 -9.651 -32.903 262 2HG LYS 36 2HG LYS 36 0.531 -10.715 -31.799 263 1HD LYS 36 1HD LYS 36 -1.351 -10.942 -30.634 264 2HD LYS 36 2HD LYS 36 -1.225 -9.238 -30.193 265 1HE LYS 36 1HE LYS 36 -2.482 -8.637 -32.214 266 2HE LYS 36 2HE LYS 36 -2.625 -10.346 -32.625 267 1HZ LYS 36 1HZ LYS 36 -4.408 -8.931 -31.162 268 2HZ LYS 36 2HZ LYS 36 -3.520 -9.730 -29.965 269 3HZ LYS 36 3HZ LYS 36 -4.286 -10.618 -31.184 270 H SER 37 H SER 37 0.874 -7.074 -29.344 271 HA SER 37 HA SER 37 -1.005 -5.256 -28.383 272 1HB SER 37 1HB SER 37 -2.801 -6.724 -28.723 273 2HB SER 37 2HB SER 37 -1.856 -8.138 -28.257 274 HG SER 37 HG SER 37 -3.121 -7.706 -26.526 275 H SER 38 H SER 38 -0.929 -5.003 -26.070 276 HA SER 38 HA SER 38 1.582 -5.274 -24.959 277 1HB SER 38 1HB SER 38 -0.292 -3.781 -24.150 278 2HB SER 38 2HB SER 38 -0.975 -5.194 -23.347 279 HG SER 38 HG SER 38 0.318 -4.679 -21.779 280 H LYS 39 H LYS 39 -1.204 -7.427 -24.673 281 HA LYS 39 HA LYS 39 -0.149 -9.175 -22.748 282 1HB LYS 39 1HB LYS 39 -2.521 -9.144 -23.402 283 2HB LYS 39 2HB LYS 39 -2.093 -9.779 -24.985 284 1HG LYS 39 1HG LYS 39 -2.197 -11.851 -24.221 285 2HG LYS 39 2HG LYS 39 -1.008 -11.485 -22.969 286 1HD LYS 39 1HD LYS 39 -3.777 -10.525 -22.526 287 2HD LYS 39 2HD LYS 39 -3.502 -12.265 -22.412 288 1HE LYS 39 1HE LYS 39 -2.174 -12.072 -20.563 289 2HE LYS 39 2HE LYS 39 -1.606 -10.463 -21.005 290 1HZ LYS 39 1HZ LYS 39 -3.173 -10.652 -19.033 291 2HZ LYS 39 2HZ LYS 39 -4.399 -10.937 -20.163 292 3HZ LYS 39 3HZ LYS 39 -3.542 -9.479 -20.195 293 H ASP 40 H ASP 40 0.019 -9.234 -26.287 294 HA ASP 40 HA ASP 40 1.453 -11.688 -26.433 295 1HB ASP 40 1HB ASP 40 0.671 -9.540 -28.324 296 2HB ASP 40 2HB ASP 40 2.060 -10.522 -28.782 297 H MET 41 H MET 41 2.391 -8.293 -26.323 298 HA MET 41 HA MET 41 5.139 -8.694 -26.876 299 1HB MET 41 1HB MET 41 3.416 -6.490 -26.059 300 2HB MET 41 2HB MET 41 5.004 -6.411 -25.308 301 1HG MET 41 1HG MET 41 6.013 -6.626 -27.569 302 2HG MET 41 2HG MET 41 4.391 -6.518 -28.249 303 1HE MET 41 1HE MET 41 7.163 -3.330 -27.941 304 2HE MET 41 2HE MET 41 7.207 -5.044 -28.356 305 3HE MET 41 3HE MET 41 6.318 -3.911 -29.376 306 H GLU 42 H GLU 42 3.355 -8.294 -23.824 307 HA GLU 42 HA GLU 42 5.526 -8.455 -22.085 308 1HB GLU 42 1HB GLU 42 2.868 -8.086 -21.760 309 2HB GLU 42 2HB GLU 42 3.016 -9.745 -21.196 310 1HG GLU 42 1HG GLU 42 5.084 -8.071 -20.081 311 2HG GLU 42 2HG GLU 42 3.477 -7.433 -19.737 312 H SER 43 H SER 43 3.348 -11.064 -23.158 313 HA SER 43 HA SER 43 4.504 -13.180 -21.822 314 1HB SER 43 1HB SER 43 2.663 -13.978 -22.875 315 2HB SER 43 2HB SER 43 2.842 -12.869 -24.235 316 HG SER 43 HG SER 43 3.284 -15.368 -24.351 317 H HIS 44 H HIS 44 5.307 -12.011 -25.089 318 HA HIS 44 HA HIS 44 7.321 -13.800 -25.708 319 1HB HIS 44 1HB HIS 44 6.370 -12.126 -27.277 320 2HB HIS 44 2HB HIS 44 7.260 -10.863 -26.432 321 HD1 HIS 44 HD1 HIS 44 8.491 -14.260 -27.615 322 HD2 HIS 44 HD2 HIS 44 9.225 -10.210 -28.179 323 HE1 HIS 44 HE1 HIS 44 10.504 -14.145 -29.118 324 H VAL 45 H VAL 45 7.507 -10.811 -23.832 325 HA VAL 45 HA VAL 45 10.327 -10.824 -23.523 326 HB VAL 45 HB VAL 45 8.310 -9.550 -21.673 327 1HG1 VAL 45 1HG1 VAL 45 11.008 -9.778 -21.368 328 2HG1 VAL 45 2HG1 VAL 45 10.871 -8.228 -22.202 329 3HG1 VAL 45 3HG1 VAL 45 10.019 -8.491 -20.679 330 1HG2 VAL 45 1HG2 VAL 45 7.730 -8.185 -23.325 331 2HG2 VAL 45 2HG2 VAL 45 9.408 -7.657 -23.460 332 3HG2 VAL 45 3HG2 VAL 45 8.829 -9.013 -24.428 333 H PHE 46 H PHE 46 7.674 -11.873 -21.401 334 HA PHE 46 HA PHE 46 9.127 -12.660 -19.194 335 1HB PHE 46 1HB PHE 46 6.571 -12.660 -19.586 336 2HB PHE 46 2HB PHE 46 6.809 -14.294 -20.196 337 HD1 PHE 46 HD1 PHE 46 7.369 -16.105 -18.720 338 HD2 PHE 46 HD2 PHE 46 6.931 -12.138 -17.240 339 HE1 PHE 46 HE1 PHE 46 7.290 -16.975 -16.420 340 HE2 PHE 46 HE2 PHE 46 6.852 -13.002 -14.938 341 HZ PHE 46 HZ PHE 46 7.032 -15.423 -14.525 342 H LEU 47 H LEU 47 8.390 -14.544 -22.109 343 HA LEU 47 HA LEU 47 9.810 -16.861 -21.211 344 1HB LEU 47 1HB LEU 47 8.425 -16.010 -23.689 345 2HB LEU 47 2HB LEU 47 9.641 -17.277 -23.842 346 HG LEU 47 HG LEU 47 7.409 -17.507 -21.850 347 1HD1 LEU 47 1HD1 LEU 47 7.123 -18.836 -24.475 348 2HD1 LEU 47 2HD1 LEU 47 6.788 -17.105 -24.417 349 3HD1 LEU 47 3HD1 LEU 47 5.894 -18.211 -23.375 350 1HD2 LEU 47 1HD2 LEU 47 8.705 -19.279 -21.380 351 2HD2 LEU 47 2HD2 LEU 47 9.547 -19.205 -22.929 352 3HD2 LEU 47 3HD2 LEU 47 7.966 -19.981 -22.820 353 H LYS 48 H LYS 48 10.633 -13.964 -22.923 354 HA LYS 48 HA LYS 48 13.101 -14.977 -24.005 355 1HB LYS 48 1HB LYS 48 11.740 -13.106 -25.017 356 2HB LYS 48 2HB LYS 48 12.274 -12.091 -23.684 357 1HG LYS 48 1HG LYS 48 14.442 -13.452 -25.103 358 2HG LYS 48 2HG LYS 48 13.526 -12.306 -26.085 359 1HD LYS 48 1HD LYS 48 13.902 -10.569 -24.397 360 2HD LYS 48 2HD LYS 48 14.822 -11.717 -23.422 361 1HE LYS 48 1HE LYS 48 15.771 -11.573 -26.165 362 2HE LYS 48 2HE LYS 48 15.835 -10.012 -25.349 363 1HZ LYS 48 1HZ LYS 48 17.780 -11.761 -25.170 364 2HZ LYS 48 2HZ LYS 48 16.836 -12.336 -23.890 365 3HZ LYS 48 3HZ LYS 48 17.386 -10.736 -23.883 366 H ALA 49 H ALA 49 12.070 -13.779 -20.993 367 HA ALA 49 HA ALA 49 14.766 -12.978 -20.189 368 1HB ALA 49 1HB ALA 49 12.934 -12.826 -18.023 369 2HB ALA 49 2HB ALA 49 13.710 -11.511 -18.905 370 3HB ALA 49 3HB ALA 49 12.159 -12.145 -19.453 371 H LYS 50 H LYS 50 15.826 -13.909 -18.398 372 HA LYS 50 HA LYS 50 15.050 -16.698 -17.910 373 1HB LYS 50 1HB LYS 50 17.608 -15.281 -18.176 374 2HB LYS 50 2HB LYS 50 17.558 -16.418 -16.835 375 1HG LYS 50 1HG LYS 50 17.484 -18.224 -18.187 376 2HG LYS 50 2HG LYS 50 16.527 -17.399 -19.420 377 1HD LYS 50 1HD LYS 50 18.369 -16.550 -20.475 378 2HD LYS 50 2HD LYS 50 19.326 -16.493 -18.993 379 1HE LYS 50 1HE LYS 50 19.523 -18.944 -19.051 380 2HE LYS 50 2HE LYS 50 18.604 -18.971 -20.556 381 1HZ LYS 50 1HZ LYS 50 21.187 -18.994 -20.599 382 2HZ LYS 50 2HZ LYS 50 21.030 -17.323 -20.391 383 3HZ LYS 50 3HZ LYS 50 20.333 -18.077 -21.736 384 H THR 51 H THR 51 15.463 -13.632 -16.375 385 HA THR 51 HA THR 51 14.508 -14.777 -13.864 386 HB THR 51 HB THR 51 16.134 -13.589 -12.507 387 HG1 THR 51 HG1 THR 51 17.931 -12.568 -13.605 388 1HG2 THR 51 1HG2 THR 51 17.601 -15.149 -14.634 389 2HG2 THR 51 2HG2 THR 51 16.656 -15.887 -13.340 390 3HG2 THR 51 3HG2 THR 51 18.080 -14.922 -12.952 391 H ARG 52 H ARG 52 13.969 -12.961 -12.275 392 HA ARG 52 HA ARG 52 12.057 -11.279 -13.389 393 1HB ARG 52 1HB ARG 52 11.861 -10.268 -11.229 394 2HB ARG 52 2HB ARG 52 12.209 -11.974 -10.985 395 1HG ARG 52 1HG ARG 52 14.574 -11.407 -10.590 396 2HG ARG 52 2HG ARG 52 14.166 -9.698 -10.756 397 1HD ARG 52 1HD ARG 52 12.525 -11.226 -8.845 398 2HD ARG 52 2HD ARG 52 14.220 -11.026 -8.403 399 HE ARG 52 HE ARG 52 12.193 -8.985 -8.480 400 1HH1 ARG 52 1HH1 ARG 52 15.608 -9.651 -8.583 401 2HH1 ARG 52 2HH1 ARG 52 16.065 -8.073 -8.034 402 1HH2 ARG 52 1HH2 ARG 52 12.782 -6.903 -7.756 403 2HH2 ARG 52 2HH2 ARG 52 14.457 -6.511 -7.563 404 H ASP 53 H ASP 53 15.469 -10.845 -13.035 405 HA ASP 53 HA ASP 53 15.462 -7.993 -13.309 406 1HB ASP 53 1HB ASP 53 17.303 -9.650 -12.359 407 2HB ASP 53 2HB ASP 53 17.857 -9.623 -14.031 408 H GLU 54 H GLU 54 16.367 -10.663 -15.493 409 HA GLU 54 HA GLU 54 16.958 -9.203 -17.753 410 1HB GLU 54 1HB GLU 54 17.211 -11.685 -17.456 411 2HB GLU 54 2HB GLU 54 15.486 -11.840 -17.755 412 1HG GLU 54 1HG GLU 54 15.691 -11.173 -19.981 413 2HG GLU 54 2HG GLU 54 17.295 -10.489 -19.722 414 H TYR 55 H TYR 55 13.795 -10.243 -16.576 415 HA TYR 55 HA TYR 55 12.343 -9.308 -18.839 416 1HB TYR 55 1HB TYR 55 11.334 -10.999 -17.483 417 2HB TYR 55 2HB TYR 55 11.500 -10.022 -16.029 418 HD1 TYR 55 HD1 TYR 55 9.809 -8.511 -15.388 419 HD2 TYR 55 HD2 TYR 55 9.721 -10.239 -19.276 420 HE1 TYR 55 HE1 TYR 55 7.548 -7.606 -15.733 421 HE2 TYR 55 HE2 TYR 55 7.460 -9.338 -19.631 422 HH TYR 55 HH TYR 55 6.147 -7.158 -18.490 423 H LEU 56 H LEU 56 12.501 -8.055 -15.500 424 HA LEU 56 HA LEU 56 11.139 -5.692 -15.877 425 1HB LEU 56 1HB LEU 56 13.312 -6.535 -14.019 426 2HB LEU 56 2HB LEU 56 12.822 -4.843 -14.046 427 HG LEU 56 HG LEU 56 10.707 -6.910 -13.715 428 1HD1 LEU 56 1HD1 LEU 56 11.867 -7.837 -12.020 429 2HD1 LEU 56 2HD1 LEU 56 11.305 -6.415 -11.141 430 3HD1 LEU 56 3HD1 LEU 56 12.927 -6.439 -11.834 431 1HD2 LEU 56 1HD2 LEU 56 11.042 -4.062 -13.393 432 2HD2 LEU 56 2HD2 LEU 56 10.424 -4.801 -11.915 433 3HD2 LEU 56 3HD2 LEU 56 9.564 -5.024 -13.440 434 H SER 57 H SER 57 14.418 -6.495 -16.765 435 HA SER 57 HA SER 57 15.284 -3.824 -17.256 436 1HB SER 57 1HB SER 57 16.669 -6.036 -16.919 437 2HB SER 57 2HB SER 57 16.494 -6.173 -18.669 438 HG SER 57 HG SER 57 18.308 -4.823 -17.472 439 H LEU 58 H LEU 58 14.396 -6.483 -19.462 440 HA LEU 58 HA LEU 58 14.498 -4.988 -21.824 441 1HB LEU 58 1HB LEU 58 13.146 -7.516 -21.002 442 2HB LEU 58 2HB LEU 58 12.745 -6.795 -22.559 443 HG LEU 58 HG LEU 58 15.621 -7.186 -21.984 444 1HD1 LEU 58 1HD1 LEU 58 15.599 -9.526 -22.492 445 2HD1 LEU 58 2HD1 LEU 58 13.848 -9.513 -22.700 446 3HD1 LEU 58 3HD1 LEU 58 14.547 -9.248 -21.103 447 1HD2 LEU 58 1HD2 LEU 58 15.704 -7.670 -24.325 448 2HD2 LEU 58 2HD2 LEU 58 14.699 -6.239 -24.098 449 3HD2 LEU 58 3HD2 LEU 58 13.947 -7.804 -24.413 450 H VAL 59 H VAL 59 11.775 -5.679 -19.656 451 HA VAL 59 HA VAL 59 9.743 -4.469 -21.118 452 HB VAL 59 HB VAL 59 10.008 -4.521 -18.109 453 1HG1 VAL 59 1HG1 VAL 59 7.658 -4.102 -19.941 454 2HG1 VAL 59 2HG1 VAL 59 7.491 -4.527 -18.236 455 3HG1 VAL 59 3HG1 VAL 59 8.274 -3.015 -18.697 456 1HG2 VAL 59 1HG2 VAL 59 9.858 -6.666 -19.900 457 2HG2 VAL 59 2HG2 VAL 59 9.625 -6.712 -18.153 458 3HG2 VAL 59 3HG2 VAL 59 8.239 -6.496 -19.222 459 H ALA 60 H ALA 60 11.744 -3.036 -18.539 460 HA ALA 60 HA ALA 60 10.717 -0.484 -18.524 461 1HB ALA 60 1HB ALA 60 13.363 -1.651 -17.875 462 2HB ALA 60 2HB ALA 60 13.262 0.103 -18.030 463 3HB ALA 60 3HB ALA 60 12.245 -0.739 -16.861 464 H ARG 61 H ARG 61 13.576 -1.524 -20.395 465 HA ARG 61 HA ARG 61 13.996 0.795 -21.823 466 1HB ARG 61 1HB ARG 61 15.556 -1.074 -21.874 467 2HB ARG 61 2HB ARG 61 14.386 -2.058 -22.742 468 1HG ARG 61 1HG ARG 61 14.523 -0.568 -24.657 469 2HG ARG 61 2HG ARG 61 15.658 0.464 -23.785 470 1HD ARG 61 1HD ARG 61 17.324 -1.220 -23.780 471 2HD ARG 61 2HD ARG 61 16.178 -2.452 -24.309 472 HE ARG 61 HE ARG 61 17.646 -0.661 -25.965 473 1HH1 ARG 61 1HH1 ARG 61 14.617 -2.354 -25.687 474 2HH1 ARG 61 2HH1 ARG 61 14.337 -2.403 -27.396 475 1HH2 ARG 61 1HH2 ARG 61 17.289 -0.718 -28.217 476 2HH2 ARG 61 2HH2 ARG 61 15.859 -1.472 -28.834 477 H LEU 62 H LEU 62 11.744 -1.835 -22.507 478 HA LEU 62 HA LEU 62 10.926 -0.923 -25.054 479 1HB LEU 62 1HB LEU 62 10.483 -3.175 -24.475 480 2HB LEU 62 2HB LEU 62 9.634 -2.703 -23.005 481 HG LEU 62 HG LEU 62 8.358 -1.630 -25.378 482 1HD1 LEU 62 1HD1 LEU 62 8.899 -3.432 -26.677 483 2HD1 LEU 62 2HD1 LEU 62 7.452 -4.047 -25.878 484 3HD1 LEU 62 3HD1 LEU 62 9.049 -4.523 -25.300 485 1HD2 LEU 62 1HD2 LEU 62 6.505 -3.141 -24.257 486 2HD2 LEU 62 2HD2 LEU 62 7.005 -1.609 -23.540 487 3HD2 LEU 62 3HD2 LEU 62 7.646 -3.128 -22.912 488 H ILE 63 H ILE 63 9.444 -0.561 -21.836 489 HA ILE 63 HA ILE 63 7.258 0.994 -22.640 490 HB ILE 63 HB ILE 63 8.705 0.794 -20.009 491 1HG1 ILE 63 1HG1 ILE 63 5.945 -0.108 -20.857 492 2HG1 ILE 63 2HG1 ILE 63 7.366 -1.146 -20.833 493 1HG2 ILE 63 1HG2 ILE 63 6.328 1.911 -19.350 494 2HG2 ILE 63 2HG2 ILE 63 7.832 2.811 -19.539 495 3HG2 ILE 63 3HG2 ILE 63 6.677 2.736 -20.869 496 1HD1 ILE 63 1HD1 ILE 63 5.687 -0.179 -18.623 497 2HD1 ILE 63 2HD1 ILE 63 6.575 -1.692 -18.805 498 3HD1 ILE 63 3HD1 ILE 63 7.422 -0.225 -18.313 499 H ILE 64 H ILE 64 10.403 2.016 -21.315 500 HA ILE 64 HA ILE 64 10.015 4.754 -21.352 501 HB ILE 64 HB ILE 64 12.542 3.182 -21.847 502 1HG1 ILE 64 1HG1 ILE 64 12.269 4.733 -19.383 503 2HG1 ILE 64 2HG1 ILE 64 11.025 3.500 -19.556 504 1HG2 ILE 64 1HG2 ILE 64 12.076 6.129 -21.642 505 2HG2 ILE 64 2HG2 ILE 64 13.595 5.425 -21.088 506 3HG2 ILE 64 3HG2 ILE 64 13.095 5.233 -22.768 507 1HD1 ILE 64 1HD1 ILE 64 12.462 1.978 -18.859 508 2HD1 ILE 64 2HD1 ILE 64 13.500 2.321 -20.243 509 3HD1 ILE 64 3HD1 ILE 64 13.720 3.207 -18.734 510 H HIS 65 H HIS 65 11.051 2.618 -23.971 511 HA HIS 65 HA HIS 65 11.624 4.643 -25.852 512 1HB HIS 65 1HB HIS 65 11.921 1.925 -25.792 513 2HB HIS 65 2HB HIS 65 10.602 2.108 -26.944 514 HD1 HIS 65 HD1 HIS 65 14.244 2.747 -26.503 515 HD2 HIS 65 HD2 HIS 65 11.295 3.379 -29.361 516 HE1 HIS 65 HE1 HIS 65 15.470 3.377 -28.606 517 H PHE 66 H PHE 66 8.671 2.925 -25.013 518 HA PHE 66 HA PHE 66 7.118 3.870 -27.190 519 1HB PHE 66 1HB PHE 66 6.496 2.613 -24.541 520 2HB PHE 66 2HB PHE 66 5.193 3.301 -25.505 521 HD1 PHE 66 HD1 PHE 66 6.351 0.324 -24.661 522 HD2 PHE 66 HD2 PHE 66 5.865 2.617 -28.214 523 HE1 PHE 66 HE1 PHE 66 6.239 -1.750 -25.980 524 HE2 PHE 66 HE2 PHE 66 5.752 0.547 -29.538 525 HZ PHE 66 HZ PHE 66 5.938 -1.641 -28.421 526 H ARG 67 H ARG 67 7.438 4.948 -23.819 527 HA ARG 67 HA ARG 67 5.592 7.032 -23.891 528 1HB ARG 67 1HB ARG 67 8.135 6.709 -22.295 529 2HB ARG 67 2HB ARG 67 6.990 8.018 -22.030 530 1HG ARG 67 1HG ARG 67 5.521 6.693 -20.967 531 2HG ARG 67 2HG ARG 67 5.829 5.319 -22.030 532 1HD ARG 67 1HD ARG 67 7.668 4.617 -20.797 533 2HD ARG 67 2HD ARG 67 7.893 6.199 -20.051 534 HE ARG 67 HE ARG 67 5.419 4.921 -19.337 535 1HH1 ARG 67 1HH1 ARG 67 8.803 5.238 -18.585 536 2HH1 ARG 67 2HH1 ARG 67 8.614 4.758 -16.931 537 1HH2 ARG 67 1HH2 ARG 67 5.157 4.288 -17.162 538 2HH2 ARG 67 2HH2 ARG 67 6.540 4.217 -16.123 539 H ASP 68 H ASP 68 9.012 6.984 -24.781 540 HA ASP 68 HA ASP 68 9.315 9.745 -25.225 541 1HB ASP 68 1HB ASP 68 10.898 7.403 -25.521 542 2HB ASP 68 2HB ASP 68 10.959 8.278 -27.048 543 H ILE 69 H ILE 69 8.573 7.105 -27.493 544 HA ILE 69 HA ILE 69 8.424 8.558 -29.837 545 HB ILE 69 HB ILE 69 6.690 6.222 -29.026 546 1HG1 ILE 69 1HG1 ILE 69 9.033 5.987 -30.856 547 2HG1 ILE 69 2HG1 ILE 69 9.350 6.158 -29.133 548 1HG2 ILE 69 1HG2 ILE 69 7.014 7.712 -31.573 549 2HG2 ILE 69 2HG2 ILE 69 6.839 5.960 -31.657 550 3HG2 ILE 69 3HG2 ILE 69 5.586 6.936 -30.888 551 1HD1 ILE 69 1HD1 ILE 69 9.173 3.938 -29.090 552 2HD1 ILE 69 2HD1 ILE 69 7.434 4.221 -29.167 553 3HD1 ILE 69 3HD1 ILE 69 8.337 3.879 -30.642 554 H HIS 70 H HIS 70 5.934 8.080 -27.369 555 HA HIS 70 HA HIS 70 3.815 9.326 -28.719 556 1HB HIS 70 1HB HIS 70 3.346 8.008 -26.773 557 2HB HIS 70 2HB HIS 70 4.389 9.012 -25.770 558 HD1 HIS 70 HD1 HIS 70 2.787 10.017 -24.150 559 HD2 HIS 70 HD2 HIS 70 1.444 10.304 -28.071 560 HE1 HIS 70 HE1 HIS 70 0.710 11.431 -24.048 561 H ASN 71 H ASN 71 5.996 10.670 -26.236 562 HA ASN 71 HA ASN 71 5.035 13.306 -26.410 563 1HB ASN 71 1HB ASN 71 7.135 11.908 -25.027 564 2HB ASN 71 2HB ASN 71 7.758 13.426 -25.668 565 1HD2 ASN 71 1HD2 ASN 71 7.897 14.624 -23.873 566 2HD2 ASN 71 2HD2 ASN 71 6.566 15.014 -22.843 567 H LYS 72 H LYS 72 7.255 11.514 -28.370 568 HA LYS 72 HA LYS 72 8.428 12.018 -30.253 569 1HB LYS 72 1HB LYS 72 6.226 14.057 -30.311 570 2HB LYS 72 2HB LYS 72 7.481 14.072 -31.543 571 1HG LYS 72 1HG LYS 72 6.913 11.731 -32.095 572 2HG LYS 72 2HG LYS 72 5.593 11.809 -30.926 573 1HD LYS 72 1HD LYS 72 4.556 13.611 -32.192 574 2HD LYS 72 2HD LYS 72 5.898 13.598 -33.338 575 1HE LYS 72 1HE LYS 72 5.329 11.350 -34.029 576 2HE LYS 72 2HE LYS 72 4.056 11.268 -32.812 577 1HZ LYS 72 1HZ LYS 72 3.844 13.511 -34.617 578 2HZ LYS 72 2HZ LYS 72 2.655 12.430 -34.089 579 3HZ LYS 72 3HZ LYS 72 3.679 12.003 -35.366 580 H LYS 73 H LYS 73 10.052 12.594 -28.446 581 HA LYS 73 HA LYS 73 11.167 15.206 -29.128 582 1HB LYS 73 1HB LYS 73 9.779 15.000 -26.820 583 2HB LYS 73 2HB LYS 73 11.366 14.485 -26.263 584 1HG LYS 73 1HG LYS 73 11.902 16.741 -27.762 585 2HG LYS 73 2HG LYS 73 10.398 17.134 -26.927 586 1HD LYS 73 1HD LYS 73 11.368 17.075 -24.865 587 2HD LYS 73 2HD LYS 73 12.548 15.850 -25.336 588 1HE LYS 73 1HE LYS 73 13.227 18.023 -26.891 589 2HE LYS 73 2HE LYS 73 12.752 18.755 -25.359 590 1HZ LYS 73 1HZ LYS 73 14.351 17.461 -24.206 591 2HZ LYS 73 2HZ LYS 73 15.146 18.148 -25.532 592 3HZ LYS 73 3HZ LYS 73 14.690 16.519 -25.570 593 H SER 74 H SER 74 12.952 14.458 -30.131 594 HA SER 74 HA SER 74 14.977 13.475 -30.458 595 1HB SER 74 1HB SER 74 15.128 13.343 -27.439 596 2HB SER 74 2HB SER 74 16.478 13.360 -28.574 597 HG SER 74 HG SER 74 16.176 15.423 -27.729 598 H GLN 75 H GLN 75 13.606 11.646 -31.247 599 HA GLN 75 HA GLN 75 14.149 9.235 -29.646 600 1HB GLN 75 1HB GLN 75 12.071 8.259 -30.648 601 2HB GLN 75 2HB GLN 75 11.786 9.589 -29.534 602 1HG GLN 75 1HG GLN 75 10.942 10.927 -31.131 603 2HG GLN 75 2HG GLN 75 12.054 10.337 -32.366 604 1HE2 GLN 75 1HE2 GLN 75 9.947 10.535 -33.572 605 2HE2 GLN 75 2HE2 GLN 75 8.943 9.130 -33.619 606 H ALA 76 H ALA 76 13.951 7.211 -31.111 607 HA ALA 76 HA ALA 76 15.391 7.780 -33.620 608 1HB ALA 76 1HB ALA 76 16.497 6.493 -31.616 609 2HB ALA 76 2HB ALA 76 15.599 5.128 -32.281 610 3HB ALA 76 3HB ALA 76 16.773 5.984 -33.282 611 H SER 77 H SER 77 15.156 6.010 -35.279 612 HA SER 77 HA SER 77 12.383 5.627 -35.829 613 1HB SER 77 1HB SER 77 13.256 4.350 -37.828 614 2HB SER 77 2HB SER 77 13.849 6.005 -37.689 615 HG SER 77 HG SER 77 15.355 4.032 -38.055 616 H VAL 78 H VAL 78 15.057 3.353 -35.214 617 HA VAL 78 HA VAL 78 13.054 1.405 -34.275 618 HB VAL 78 HB VAL 78 15.605 0.707 -35.733 619 1HG1 VAL 78 1HG1 VAL 78 14.975 -1.030 -34.215 620 2HG1 VAL 78 2HG1 VAL 78 13.294 -0.955 -34.744 621 3HG1 VAL 78 3HG1 VAL 78 14.540 -1.548 -35.843 622 1HG2 VAL 78 1HG2 VAL 78 12.942 1.397 -36.713 623 2HG2 VAL 78 2HG2 VAL 78 14.478 1.302 -37.575 624 3HG2 VAL 78 3HG2 VAL 78 13.530 -0.159 -37.299 Start of MODEL 6 1 1H GLY 2 HT1 GLY 2 -5.008 -9.473 -7.934 2 1HA GLY 2 1HA GLY 2 -4.844 -9.197 -5.541 3 2HA GLY 2 2HA GLY 2 -4.262 -10.812 -5.912 4 H ALA 3 H ALA 3 -3.075 -10.623 -3.897 5 HA ALA 3 HA ALA 3 -1.200 -10.247 -2.657 6 1HB ALA 3 1HB ALA 3 -0.392 -11.099 -5.089 7 2HB ALA 3 2HB ALA 3 0.473 -9.566 -4.980 8 3HB ALA 3 3HB ALA 3 0.698 -10.796 -3.736 9 H MET 4 H MET 4 0.929 -8.594 -2.788 10 HA MET 4 HA MET 4 -0.272 -5.908 -2.951 11 1HB MET 4 1HB MET 4 0.980 -7.262 -0.739 12 2HB MET 4 2HB MET 4 1.892 -5.816 -1.151 13 1HG MET 4 1HG MET 4 0.182 -4.405 -0.598 14 2HG MET 4 2HG MET 4 -1.062 -5.612 -0.916 15 1HE MET 4 1HE MET 4 0.504 -3.848 2.417 16 2HE MET 4 2HE MET 4 -0.714 -3.515 1.186 17 3HE MET 4 3HE MET 4 -1.188 -4.239 2.723 18 H GLY 5 H GLY 5 3.009 -7.262 -2.556 19 1HA GLY 5 1HA GLY 5 3.979 -6.568 -5.080 20 2HA GLY 5 2HA GLY 5 4.258 -5.194 -4.021 21 H GLN 6 H GLN 6 6.008 -5.200 -2.741 22 HA GLN 6 HA GLN 6 7.961 -5.859 -1.782 23 1HB GLN 6 1HB GLN 6 6.149 -8.114 -1.431 24 2HB GLN 6 2HB GLN 6 7.834 -8.613 -1.489 25 1HG GLN 6 1HG GLN 6 8.298 -6.869 0.261 26 2HG GLN 6 2HG GLN 6 6.552 -6.679 0.416 27 1HE2 GLN 6 1HE2 GLN 6 5.682 -9.252 0.207 28 2HE2 GLN 6 2HE2 GLN 6 6.267 -10.182 1.541 29 H GLU 7 H GLU 7 9.830 -7.548 -2.063 30 HA GLU 7 HA GLU 7 10.337 -7.684 -4.933 31 1HB GLU 7 1HB GLU 7 12.293 -8.319 -2.730 32 2HB GLU 7 2HB GLU 7 12.643 -7.872 -4.394 33 1HG GLU 7 1HG GLU 7 11.673 -5.628 -3.924 34 2HG GLU 7 2HG GLU 7 11.540 -6.100 -2.230 35 H THR 8 H THR 8 11.992 -9.665 -5.365 36 HA THR 8 HA THR 8 12.161 -11.901 -5.758 37 HB THR 8 HB THR 8 10.678 -12.690 -3.315 38 HG1 THR 8 HG1 THR 8 13.078 -11.156 -3.264 39 1HG2 THR 8 1HG2 THR 8 11.812 -14.457 -4.304 40 2HG2 THR 8 2HG2 THR 8 12.950 -13.936 -3.061 41 3HG2 THR 8 3HG2 THR 8 13.197 -13.458 -4.740 42 H ASP 9 H ASP 9 10.838 -13.957 -6.008 43 HA ASP 9 HA ASP 9 9.092 -14.979 -7.055 44 1HB ASP 9 1HB ASP 9 7.269 -13.227 -5.420 45 2HB ASP 9 2HB ASP 9 7.011 -14.888 -5.946 46 H TRP 10 H TRP 10 10.088 -13.160 -8.691 47 HA TRP 10 HA TRP 10 8.412 -11.076 -9.533 48 1HB TRP 10 1HB TRP 10 9.737 -11.016 -11.541 49 2HB TRP 10 2HB TRP 10 10.807 -11.383 -10.191 50 HD1 TRP 10 HD1 TRP 10 11.161 -14.241 -9.894 51 HE1 TRP 10 HE1 TRP 10 11.747 -15.890 -11.781 52 HE3 TRP 10 HE3 TRP 10 9.635 -11.461 -13.904 53 HZ2 TRP 10 HZ2 TRP 10 11.585 -15.998 -14.597 54 HZ3 TRP 10 HZ3 TRP 10 9.886 -12.410 -16.161 55 HH2 TRP 10 HH2 TRP 10 10.842 -14.631 -16.498 56 H ARG 11 H ARG 11 8.118 -14.464 -9.889 57 HA ARG 11 HA ARG 11 6.574 -14.508 -12.281 58 1HB ARG 11 1HB ARG 11 6.623 -16.539 -10.042 59 2HB ARG 11 2HB ARG 11 6.060 -16.807 -11.686 60 1HG ARG 11 1HG ARG 11 8.332 -16.417 -12.519 61 2HG ARG 11 2HG ARG 11 8.887 -16.185 -10.860 62 1HD ARG 11 1HD ARG 11 7.502 -18.695 -11.768 63 2HD ARG 11 2HD ARG 11 9.249 -18.484 -11.886 64 HE ARG 11 HE ARG 11 8.716 -17.901 -9.294 65 1HH1 ARG 11 1HH1 ARG 11 7.957 -20.599 -11.359 66 2HH1 ARG 11 2HH1 ARG 11 7.957 -21.754 -10.068 67 1HH2 ARG 11 1HH2 ARG 11 8.719 -19.413 -7.586 68 2HH2 ARG 11 2HH2 ARG 11 8.390 -21.078 -7.922 69 H SER 12 H SER 12 5.898 -13.405 -9.189 70 HA SER 12 HA SER 12 3.275 -14.191 -8.717 71 1HB SER 12 1HB SER 12 4.121 -13.037 -6.920 72 2HB SER 12 2HB SER 12 4.938 -11.847 -7.931 73 HG SER 12 HG SER 12 3.266 -10.740 -7.117 74 H THR 13 H THR 13 1.297 -13.515 -9.394 75 HA THR 13 HA THR 13 0.953 -12.515 -11.952 76 HB THR 13 HB THR 13 -1.134 -12.075 -9.835 77 HG1 THR 13 HG1 THR 13 -1.110 -14.144 -9.431 78 1HG2 THR 13 1HG2 THR 13 -2.607 -12.851 -11.719 79 2HG2 THR 13 2HG2 THR 13 -1.182 -12.821 -12.757 80 3HG2 THR 13 3HG2 THR 13 -1.765 -11.331 -12.015 81 H ALA 14 H ALA 14 0.695 -10.780 -8.859 82 HA ALA 14 HA ALA 14 -0.053 -8.288 -9.809 83 1HB ALA 14 1HB ALA 14 1.711 -8.974 -7.463 84 2HB ALA 14 2HB ALA 14 1.014 -7.381 -7.760 85 3HB ALA 14 3HB ALA 14 -0.040 -8.762 -7.454 86 H PHE 15 H PHE 15 3.160 -9.736 -9.613 87 HA PHE 15 HA PHE 15 4.643 -7.441 -10.282 88 1HB PHE 15 1HB PHE 15 5.401 -9.802 -9.414 89 2HB PHE 15 2HB PHE 15 5.539 -10.170 -11.130 90 HD1 PHE 15 HD1 PHE 15 7.248 -8.987 -8.332 91 HD2 PHE 15 HD2 PHE 15 6.856 -8.336 -12.520 92 HE1 PHE 15 HE1 PHE 15 9.470 -7.930 -8.372 93 HE2 PHE 15 HE2 PHE 15 9.077 -7.279 -12.567 94 HZ PHE 15 HZ PHE 15 10.388 -7.076 -10.492 95 H ARG 16 H ARG 16 4.049 -10.247 -12.401 96 HA ARG 16 HA ARG 16 4.782 -9.018 -14.779 97 1HB ARG 16 1HB ARG 16 4.364 -11.478 -14.393 98 2HB ARG 16 2HB ARG 16 2.644 -11.134 -14.522 99 1HG ARG 16 1HG ARG 16 3.771 -9.971 -16.784 100 2HG ARG 16 2HG ARG 16 4.605 -11.514 -16.596 101 1HD ARG 16 1HD ARG 16 1.987 -12.175 -16.102 102 2HD ARG 16 2HD ARG 16 1.846 -10.950 -17.362 103 HE ARG 16 HE ARG 16 2.739 -12.435 -18.857 104 1HH1 ARG 16 1HH1 ARG 16 3.340 -13.570 -15.621 105 2HH1 ARG 16 2HH1 ARG 16 3.958 -15.105 -16.134 106 1HH2 ARG 16 1HH2 ARG 16 3.551 -14.453 -19.545 107 2HH2 ARG 16 2HH2 ARG 16 4.078 -15.606 -18.367 108 H GLN 17 H GLN 17 1.652 -9.099 -13.153 109 HA GLN 17 HA GLN 17 0.058 -8.028 -15.164 110 1HB GLN 17 1HB GLN 17 -0.831 -8.949 -13.066 111 2HB GLN 17 2HB GLN 17 -0.164 -7.583 -12.182 112 1HG GLN 17 1HG GLN 17 -2.105 -7.163 -14.418 113 2HG GLN 17 2HG GLN 17 -2.659 -7.573 -12.795 114 1HE2 GLN 17 1HE2 GLN 17 -2.711 -5.099 -14.602 115 2HE2 GLN 17 2HE2 GLN 17 -2.214 -3.824 -13.548 116 H LYS 18 H LYS 18 1.475 -6.222 -12.431 117 HA LYS 18 HA LYS 18 0.862 -3.671 -13.276 118 1HB LYS 18 1HB LYS 18 2.926 -4.854 -11.513 119 2HB LYS 18 2HB LYS 18 3.243 -3.221 -12.083 120 1HG LYS 18 1HG LYS 18 1.394 -2.344 -10.997 121 2HG LYS 18 2HG LYS 18 0.601 -3.915 -10.868 122 1HD LYS 18 1HD LYS 18 1.335 -3.757 -8.728 123 2HD LYS 18 2HD LYS 18 2.804 -4.430 -9.439 124 1HE LYS 18 1HE LYS 18 3.246 -1.815 -9.863 125 2HE LYS 18 2HE LYS 18 2.256 -1.715 -8.408 126 1HZ LYS 18 1HZ LYS 18 4.570 -3.542 -8.554 127 2HZ LYS 18 2HZ LYS 18 3.798 -2.921 -7.184 128 3HZ LYS 18 3HZ LYS 18 4.770 -1.915 -8.135 129 H LEU 19 H LEU 19 3.786 -5.553 -14.016 130 HA LEU 19 HA LEU 19 5.088 -3.614 -15.555 131 1HB LEU 19 1HB LEU 19 5.207 -6.592 -15.407 132 2HB LEU 19 2HB LEU 19 6.072 -5.756 -16.694 133 HG LEU 19 HG LEU 19 7.182 -6.391 -14.342 134 1HD1 LEU 19 1HD1 LEU 19 8.459 -5.575 -16.166 135 2HD1 LEU 19 2HD1 LEU 19 8.795 -4.518 -14.795 136 3HD1 LEU 19 3HD1 LEU 19 7.703 -3.984 -16.072 137 1HD2 LEU 19 1HD2 LEU 19 7.263 -4.495 -12.869 138 2HD2 LEU 19 2HD2 LEU 19 5.577 -4.951 -13.110 139 3HD2 LEU 19 3HD2 LEU 19 6.242 -3.552 -13.955 140 H VAL 20 H VAL 20 2.757 -6.112 -16.477 141 HA VAL 20 HA VAL 20 2.864 -5.809 -19.244 142 HB VAL 20 HB VAL 20 0.695 -6.704 -17.378 143 1HG1 VAL 20 1HG1 VAL 20 -0.758 -5.877 -18.926 144 2HG1 VAL 20 2HG1 VAL 20 0.418 -5.961 -20.239 145 3HG1 VAL 20 3HG1 VAL 20 -0.393 -7.426 -19.685 146 1HG2 VAL 20 1HG2 VAL 20 2.801 -7.916 -18.941 147 2HG2 VAL 20 2HG2 VAL 20 1.809 -8.612 -17.659 148 3HG2 VAL 20 3HG2 VAL 20 1.230 -8.620 -19.325 149 H SER 21 H SER 21 0.929 -4.070 -16.840 150 HA SER 21 HA SER 21 -0.597 -2.546 -18.639 151 1HB SER 21 1HB SER 21 -0.271 -2.723 -15.821 152 2HB SER 21 2HB SER 21 -0.096 -1.026 -16.267 153 HG SER 21 HG SER 21 -2.097 -1.357 -17.502 154 H GLN 22 H GLN 22 2.521 -1.910 -17.089 155 HA GLN 22 HA GLN 22 2.890 0.720 -17.919 156 1HB GLN 22 1HB GLN 22 4.976 -1.437 -17.551 157 2HB GLN 22 2HB GLN 22 5.304 0.288 -17.638 158 1HG GLN 22 1HG GLN 22 3.962 -1.267 -15.469 159 2HG GLN 22 2HG GLN 22 5.332 -0.162 -15.368 160 1HE2 GLN 22 1HE2 GLN 22 2.131 -0.511 -14.715 161 2HE2 GLN 22 2HE2 GLN 22 1.672 1.152 -14.619 162 H ILE 23 H ILE 23 3.945 -2.281 -19.521 163 HA ILE 23 HA ILE 23 5.096 -1.077 -21.771 164 HB ILE 23 HB ILE 23 3.842 -3.801 -21.443 165 1HG1 ILE 23 1HG1 ILE 23 6.741 -2.947 -21.590 166 2HG1 ILE 23 2HG1 ILE 23 5.874 -3.283 -20.096 167 1HG2 ILE 23 1HG2 ILE 23 5.594 -3.988 -23.550 168 2HG2 ILE 23 2HG2 ILE 23 3.837 -3.915 -23.673 169 3HG2 ILE 23 3HG2 ILE 23 4.795 -2.443 -23.837 170 1HD1 ILE 23 1HD1 ILE 23 5.943 -5.521 -20.402 171 2HD1 ILE 23 2HD1 ILE 23 5.866 -5.397 -22.160 172 3HD1 ILE 23 3HD1 ILE 23 7.385 -5.086 -21.320 173 H GLU 24 H GLU 24 1.774 -1.998 -21.075 174 HA GLU 24 HA GLU 24 0.793 -1.580 -23.715 175 1HB GLU 24 1HB GLU 24 -0.221 -2.725 -21.451 176 2HB GLU 24 2HB GLU 24 -1.111 -1.210 -21.503 177 1HG GLU 24 1HG GLU 24 -1.058 -2.409 -24.107 178 2HG GLU 24 2HG GLU 24 -1.648 -3.563 -22.912 179 H ASP 25 H ASP 25 1.243 0.457 -20.908 180 HA ASP 25 HA ASP 25 -0.323 2.643 -21.864 181 1HB ASP 25 1HB ASP 25 0.355 2.167 -19.445 182 2HB ASP 25 2HB ASP 25 1.929 2.837 -19.868 183 H ALA 26 H ALA 26 3.178 2.019 -21.732 184 HA ALA 26 HA ALA 26 4.023 4.388 -22.943 185 1HB ALA 26 1HB ALA 26 5.193 1.842 -22.237 186 2HB ALA 26 2HB ALA 26 5.850 2.458 -23.753 187 3HB ALA 26 3HB ALA 26 5.928 3.444 -22.293 188 H MET 27 H MET 27 3.131 1.272 -24.378 189 HA MET 27 HA MET 27 3.795 1.919 -27.036 190 1HB MET 27 1HB MET 27 2.623 -0.270 -25.652 191 2HB MET 27 2HB MET 27 1.561 0.139 -26.992 192 1HG MET 27 1HG MET 27 3.799 0.159 -28.352 193 2HG MET 27 2HG MET 27 4.364 -0.854 -27.025 194 1HE MET 27 1HE MET 27 2.451 -2.426 -26.013 195 2HE MET 27 2HE MET 27 0.895 -2.352 -26.840 196 3HE MET 27 3HE MET 27 1.921 -3.776 -27.017 197 H ARG 28 H ARG 28 0.746 2.187 -25.241 198 HA ARG 28 HA ARG 28 -0.941 2.987 -27.272 199 1HB ARG 28 1HB ARG 28 -1.864 2.548 -25.124 200 2HB ARG 28 2HB ARG 28 -0.856 3.771 -24.363 201 1HG ARG 28 1HG ARG 28 -2.360 5.358 -24.734 202 2HG ARG 28 2HG ARG 28 -2.503 4.917 -26.436 203 1HD ARG 28 1HD ARG 28 -4.117 3.225 -25.931 204 2HD ARG 28 2HD ARG 28 -3.854 3.420 -24.199 205 HE ARG 28 HE ARG 28 -4.725 5.840 -25.435 206 1HH1 ARG 28 1HH1 ARG 28 -5.808 2.776 -24.189 207 2HH1 ARG 28 2HH1 ARG 28 -7.409 3.338 -23.835 208 1HH2 ARG 28 1HH2 ARG 28 -6.828 6.592 -24.974 209 2HH2 ARG 28 2HH2 ARG 28 -7.988 5.508 -24.283 210 H LYS 29 H LYS 29 0.976 5.108 -25.140 211 HA LYS 29 HA LYS 29 0.336 7.462 -26.631 212 1HB LYS 29 1HB LYS 29 1.420 6.921 -24.127 213 2HB LYS 29 2HB LYS 29 2.750 7.653 -25.016 214 1HG LYS 29 1HG LYS 29 1.681 9.670 -25.228 215 2HG LYS 29 2HG LYS 29 0.073 8.955 -25.096 216 1HD LYS 29 1HD LYS 29 0.202 8.794 -22.778 217 2HD LYS 29 2HD LYS 29 1.964 8.898 -22.772 218 1HE LYS 29 1HE LYS 29 1.952 11.197 -23.101 219 2HE LYS 29 2HE LYS 29 0.313 11.195 -23.749 220 1HZ LYS 29 1HZ LYS 29 1.210 11.351 -21.011 221 2HZ LYS 29 2HZ LYS 29 -0.066 10.268 -21.257 222 3HZ LYS 29 3HZ LYS 29 -0.233 11.889 -21.709 223 H ALA 30 H ALA 30 2.746 5.007 -26.860 224 HA ALA 30 HA ALA 30 4.740 6.465 -28.241 225 1HB ALA 30 1HB ALA 30 4.123 3.516 -28.191 226 2HB ALA 30 2HB ALA 30 5.554 4.220 -28.946 227 3HB ALA 30 3HB ALA 30 5.305 4.379 -27.207 228 H GLY 31 H GLY 31 1.761 4.961 -29.237 229 1HA GLY 31 1HA GLY 31 0.643 4.988 -31.242 230 2HA GLY 31 2HA GLY 31 1.705 6.308 -31.712 231 H VAL 32 H VAL 32 1.496 2.781 -31.498 232 HA VAL 32 HA VAL 32 3.326 2.631 -33.804 233 HB VAL 32 HB VAL 32 3.584 0.168 -32.667 234 1HG1 VAL 32 1HG1 VAL 32 5.237 2.126 -33.416 235 2HG1 VAL 32 2HG1 VAL 32 5.440 2.247 -31.667 236 3HG1 VAL 32 3HG1 VAL 32 5.777 0.725 -32.492 237 1HG2 VAL 32 1HG2 VAL 32 3.725 0.265 -30.345 238 2HG2 VAL 32 2HG2 VAL 32 3.753 2.029 -30.322 239 3HG2 VAL 32 3HG2 VAL 32 2.256 1.175 -30.699 240 H ALA 33 H ALA 33 1.341 0.231 -32.090 241 HA ALA 33 HA ALA 33 -0.290 -1.190 -32.798 242 1HB ALA 33 1HB ALA 33 -1.321 1.070 -33.395 243 2HB ALA 33 2HB ALA 33 -0.864 0.700 -35.058 244 3HB ALA 33 3HB ALA 33 -1.977 -0.360 -34.193 245 H HIS 34 H HIS 34 0.977 -2.905 -33.429 246 HA HIS 34 HA HIS 34 0.965 -3.548 -36.209 247 1HB HIS 34 1HB HIS 34 3.030 -2.013 -35.804 248 2HB HIS 34 2HB HIS 34 3.727 -3.436 -35.034 249 HD1 HIS 34 HD1 HIS 34 2.604 -5.548 -37.061 250 HD2 HIS 34 HD2 HIS 34 4.551 -2.025 -38.088 251 HE1 HIS 34 HE1 HIS 34 3.532 -5.940 -39.365 252 H SER 35 H SER 35 3.031 -4.398 -33.426 253 HA SER 35 HA SER 35 3.092 -7.132 -33.868 254 1HB SER 35 1HB SER 35 3.480 -5.409 -31.457 255 2HB SER 35 2HB SER 35 3.372 -7.155 -31.234 256 HG SER 35 HG SER 35 5.283 -5.659 -32.659 257 H LYS 36 H LYS 36 2.159 -8.764 -32.211 258 HA LYS 36 HA LYS 36 -0.552 -9.052 -32.641 259 1HB LYS 36 1HB LYS 36 1.343 -10.641 -31.597 260 2HB LYS 36 2HB LYS 36 0.521 -10.179 -30.112 261 1HG LYS 36 1HG LYS 36 -0.754 -11.473 -32.514 262 2HG LYS 36 2HG LYS 36 -0.359 -12.265 -30.987 263 1HD LYS 36 1HD LYS 36 -1.892 -10.698 -29.831 264 2HD LYS 36 2HD LYS 36 -2.339 -10.024 -31.400 265 1HE LYS 36 1HE LYS 36 -2.541 -12.940 -31.248 266 2HE LYS 36 2HE LYS 36 -3.614 -12.089 -30.138 267 1HZ LYS 36 1HZ LYS 36 -3.700 -10.832 -32.652 268 2HZ LYS 36 2HZ LYS 36 -4.948 -11.613 -31.821 269 3HZ LYS 36 3HZ LYS 36 -3.954 -12.490 -32.871 270 H SER 37 H SER 37 0.830 -8.356 -29.427 271 HA SER 37 HA SER 37 -0.726 -6.102 -28.873 272 1HB SER 37 1HB SER 37 -2.710 -7.384 -28.908 273 2HB SER 37 2HB SER 37 -1.952 -8.735 -28.065 274 HG SER 37 HG SER 37 -3.057 -6.412 -27.060 275 H SER 38 H SER 38 -0.645 -5.477 -26.580 276 HA SER 38 HA SER 38 1.867 -5.745 -25.474 277 1HB SER 38 1HB SER 38 -0.488 -4.378 -24.824 278 2HB SER 38 2HB SER 38 -0.111 -5.339 -23.394 279 HG SER 38 HG SER 38 1.971 -3.940 -24.623 280 H LYS 39 H LYS 39 -1.106 -7.406 -24.423 281 HA LYS 39 HA LYS 39 -0.072 -8.954 -22.397 282 1HB LYS 39 1HB LYS 39 -2.339 -9.272 -24.298 283 2HB LYS 39 2HB LYS 39 -1.866 -10.681 -23.359 284 1HG LYS 39 1HG LYS 39 -2.383 -8.046 -22.034 285 2HG LYS 39 2HG LYS 39 -3.703 -9.148 -22.435 286 1HD LYS 39 1HD LYS 39 -2.540 -10.924 -21.146 287 2HD LYS 39 2HD LYS 39 -1.327 -9.734 -20.668 288 1HE LYS 39 1HE LYS 39 -2.631 -9.231 -18.937 289 2HE LYS 39 2HE LYS 39 -3.777 -8.541 -20.085 290 1HZ LYS 39 1HZ LYS 39 -4.301 -11.202 -20.184 291 2HZ LYS 39 2HZ LYS 39 -5.185 -10.059 -19.304 292 3HZ LYS 39 3HZ LYS 39 -3.965 -10.953 -18.544 293 H ASP 40 H ASP 40 -0.069 -9.623 -25.872 294 HA ASP 40 HA ASP 40 1.156 -12.189 -25.618 295 1HB ASP 40 1HB ASP 40 0.474 -10.353 -27.865 296 2HB ASP 40 2HB ASP 40 1.678 -11.604 -28.164 297 H MET 41 H MET 41 2.322 -8.912 -26.030 298 HA MET 41 HA MET 41 4.989 -9.577 -26.730 299 1HB MET 41 1HB MET 41 3.509 -7.151 -25.957 300 2HB MET 41 2HB MET 41 5.218 -7.133 -25.544 301 1HG MET 41 1HG MET 41 5.717 -6.596 -27.623 302 2HG MET 41 2HG MET 41 4.993 -8.100 -28.189 303 1HE MET 41 1HE MET 41 5.331 -5.142 -29.474 304 2HE MET 41 2HE MET 41 3.813 -4.278 -29.716 305 3HE MET 41 3HE MET 41 4.642 -4.186 -28.161 306 H GLU 42 H GLU 42 3.593 -8.458 -23.641 307 HA GLU 42 HA GLU 42 5.919 -8.784 -22.116 308 1HB GLU 42 1HB GLU 42 3.055 -9.007 -21.174 309 2HB GLU 42 2HB GLU 42 4.458 -8.686 -20.164 310 1HG GLU 42 1HG GLU 42 4.218 -6.519 -20.501 311 2HG GLU 42 2HG GLU 42 4.421 -6.755 -22.236 312 H SER 43 H SER 43 3.316 -11.026 -22.895 313 HA SER 43 HA SER 43 3.969 -13.085 -21.124 314 1HB SER 43 1HB SER 43 2.570 -13.006 -23.780 315 2HB SER 43 2HB SER 43 2.907 -14.553 -23.005 316 HG SER 43 HG SER 43 0.819 -13.437 -22.530 317 H HIS 44 H HIS 44 5.024 -12.559 -24.478 318 HA HIS 44 HA HIS 44 6.640 -14.837 -24.698 319 1HB HIS 44 1HB HIS 44 5.923 -13.418 -26.610 320 2HB HIS 44 2HB HIS 44 7.038 -12.168 -26.067 321 HD1 HIS 44 HD1 HIS 44 9.492 -12.447 -26.654 322 HD2 HIS 44 HD2 HIS 44 7.175 -15.735 -27.696 323 HE1 HIS 44 HE1 HIS 44 10.977 -13.891 -28.080 324 H VAL 45 H VAL 45 7.364 -11.574 -23.548 325 HA VAL 45 HA VAL 45 10.139 -11.846 -23.280 326 HB VAL 45 HB VAL 45 8.367 -10.201 -21.473 327 1HG1 VAL 45 1HG1 VAL 45 10.335 -8.723 -21.372 328 2HG1 VAL 45 2HG1 VAL 45 10.675 -10.336 -20.744 329 3HG1 VAL 45 3HG1 VAL 45 11.235 -9.879 -22.353 330 1HG2 VAL 45 1HG2 VAL 45 7.722 -9.038 -23.253 331 2HG2 VAL 45 2HG2 VAL 45 9.407 -8.596 -23.529 332 3HG2 VAL 45 3HG2 VAL 45 8.730 -10.023 -24.314 333 H PHE 46 H PHE 46 7.497 -12.752 -21.140 334 HA PHE 46 HA PHE 46 9.065 -13.327 -18.862 335 1HB PHE 46 1HB PHE 46 6.522 -13.031 -19.009 336 2HB PHE 46 2HB PHE 46 6.475 -14.707 -19.545 337 HD1 PHE 46 HD1 PHE 46 6.872 -16.511 -18.023 338 HD2 PHE 46 HD2 PHE 46 7.218 -12.468 -16.737 339 HE1 PHE 46 HE1 PHE 46 6.892 -17.262 -15.680 340 HE2 PHE 46 HE2 PHE 46 7.240 -13.213 -14.392 341 HZ PHE 46 HZ PHE 46 7.077 -15.612 -13.861 342 H LEU 47 H LEU 47 7.599 -15.539 -21.247 343 HA LEU 47 HA LEU 47 8.853 -17.864 -20.308 344 1HB LEU 47 1HB LEU 47 7.525 -17.056 -22.843 345 2HB LEU 47 2HB LEU 47 8.472 -18.542 -22.834 346 HG LEU 47 HG LEU 47 6.273 -18.051 -20.845 347 1HD1 LEU 47 1HD1 LEU 47 4.723 -19.161 -22.274 348 2HD1 LEU 47 2HD1 LEU 47 5.969 -19.476 -23.481 349 3HD1 LEU 47 3HD1 LEU 47 5.424 -17.825 -23.186 350 1HD2 LEU 47 1HD2 LEU 47 7.795 -20.446 -21.831 351 2HD2 LEU 47 2HD2 LEU 47 6.259 -20.596 -20.977 352 3HD2 LEU 47 3HD2 LEU 47 7.641 -19.840 -20.182 353 H LYS 48 H LYS 48 10.066 -15.237 -22.143 354 HA LYS 48 HA LYS 48 12.301 -16.736 -23.237 355 1HB LYS 48 1HB LYS 48 11.419 -15.027 -24.659 356 2HB LYS 48 2HB LYS 48 11.506 -13.828 -23.376 357 1HG LYS 48 1HG LYS 48 13.762 -13.530 -23.614 358 2HG LYS 48 2HG LYS 48 14.018 -15.150 -24.266 359 1HD LYS 48 1HD LYS 48 13.084 -14.516 -26.379 360 2HD LYS 48 2HD LYS 48 12.572 -12.953 -25.740 361 1HE LYS 48 1HE LYS 48 14.544 -12.061 -26.240 362 2HE LYS 48 2HE LYS 48 15.377 -13.292 -25.293 363 1HZ LYS 48 1HZ LYS 48 15.513 -12.984 -27.997 364 2HZ LYS 48 2HZ LYS 48 14.455 -14.289 -27.810 365 3HZ LYS 48 3HZ LYS 48 16.002 -14.351 -27.129 366 H ALA 49 H ALA 49 11.623 -14.483 -20.637 367 HA ALA 49 HA ALA 49 14.353 -14.014 -19.940 368 1HB ALA 49 1HB ALA 49 12.811 -13.525 -17.672 369 2HB ALA 49 2HB ALA 49 13.326 -12.350 -18.884 370 3HB ALA 49 3HB ALA 49 11.757 -13.143 -19.034 371 H LYS 50 H LYS 50 15.483 -14.791 -18.113 372 HA LYS 50 HA LYS 50 14.635 -17.480 -17.280 373 1HB LYS 50 1HB LYS 50 17.220 -16.271 -17.954 374 2HB LYS 50 2HB LYS 50 17.253 -17.225 -16.477 375 1HG LYS 50 1HG LYS 50 17.011 -19.172 -17.572 376 2HG LYS 50 2HG LYS 50 15.895 -18.490 -18.757 377 1HD LYS 50 1HD LYS 50 17.753 -18.950 -20.054 378 2HD LYS 50 2HD LYS 50 18.011 -17.254 -19.638 379 1HE LYS 50 1HE LYS 50 19.826 -17.710 -18.390 380 2HE LYS 50 2HE LYS 50 19.115 -19.175 -17.712 381 1HZ LYS 50 1HZ LYS 50 19.523 -20.038 -20.139 382 2HZ LYS 50 2HZ LYS 50 20.757 -20.069 -18.984 383 3HZ LYS 50 3HZ LYS 50 20.713 -18.836 -20.141 384 H THR 51 H THR 51 15.375 -14.299 -16.147 385 HA THR 51 HA THR 51 14.581 -15.088 -13.452 386 HB THR 51 HB THR 51 16.413 -13.904 -12.378 387 HG1 THR 51 HG1 THR 51 17.329 -13.475 -15.044 388 1HG2 THR 51 1HG2 THR 51 16.704 -16.299 -12.883 389 2HG2 THR 51 2HG2 THR 51 18.238 -15.430 -12.895 390 3HG2 THR 51 3HG2 THR 51 17.462 -15.871 -14.416 391 H ARG 52 H ARG 52 14.241 -13.125 -12.045 392 HA ARG 52 HA ARG 52 12.407 -11.395 -13.178 393 1HB ARG 52 1HB ARG 52 12.452 -10.174 -11.134 394 2HB ARG 52 2HB ARG 52 12.751 -11.858 -10.725 395 1HG ARG 52 1HG ARG 52 15.189 -11.336 -10.671 396 2HG ARG 52 2HG ARG 52 14.769 -9.634 -10.878 397 1HD ARG 52 1HD ARG 52 13.256 -9.979 -8.825 398 2HD ARG 52 2HD ARG 52 14.191 -11.451 -8.563 399 HE ARG 52 HE ARG 52 15.035 -8.767 -8.066 400 1HH1 ARG 52 1HH1 ARG 52 16.135 -11.953 -8.936 401 2HH1 ARG 52 2HH1 ARG 52 17.735 -11.712 -8.316 402 1HH2 ARG 52 1HH2 ARG 52 17.138 -8.437 -7.245 403 2HH2 ARG 52 2HH2 ARG 52 18.304 -9.712 -7.354 404 H ASP 53 H ASP 53 15.874 -11.157 -13.037 405 HA ASP 53 HA ASP 53 16.044 -8.378 -13.662 406 1HB ASP 53 1HB ASP 53 17.844 -9.905 -12.611 407 2HB ASP 53 2HB ASP 53 18.198 -10.391 -14.267 408 H GLU 54 H GLU 54 16.430 -11.345 -15.589 409 HA GLU 54 HA GLU 54 17.009 -10.208 -18.041 410 1HB GLU 54 1HB GLU 54 16.955 -12.672 -17.430 411 2HB GLU 54 2HB GLU 54 15.218 -12.611 -17.694 412 1HG GLU 54 1HG GLU 54 15.430 -12.346 -19.963 413 2HG GLU 54 2HG GLU 54 17.045 -11.651 -19.840 414 H TYR 55 H TYR 55 13.790 -11.040 -16.759 415 HA TYR 55 HA TYR 55 12.319 -10.040 -18.928 416 1HB TYR 55 1HB TYR 55 11.239 -11.508 -17.381 417 2HB TYR 55 2HB TYR 55 11.587 -10.439 -16.026 418 HD1 TYR 55 HD1 TYR 55 9.582 -10.762 -19.125 419 HD2 TYR 55 HD2 TYR 55 10.107 -8.693 -15.444 420 HE1 TYR 55 HE1 TYR 55 7.398 -9.672 -19.433 421 HE2 TYR 55 HE2 TYR 55 7.924 -7.599 -15.742 422 HH TYR 55 HH TYR 55 5.980 -8.138 -18.659 423 H LEU 56 H LEU 56 12.818 -8.542 -15.726 424 HA LEU 56 HA LEU 56 11.657 -6.096 -16.224 425 1HB LEU 56 1HB LEU 56 13.873 -6.989 -14.440 426 2HB LEU 56 2HB LEU 56 13.526 -5.267 -14.579 427 HG LEU 56 HG LEU 56 11.269 -7.096 -13.945 428 1HD1 LEU 56 1HD1 LEU 56 12.417 -8.002 -12.242 429 2HD1 LEU 56 2HD1 LEU 56 12.125 -6.449 -11.461 430 3HD1 LEU 56 3HD1 LEU 56 13.660 -6.751 -12.275 431 1HD2 LEU 56 1HD2 LEU 56 11.801 -4.302 -13.972 432 2HD2 LEU 56 2HD2 LEU 56 11.429 -4.785 -12.317 433 3HD2 LEU 56 3HD2 LEU 56 10.288 -5.135 -13.616 434 H SER 57 H SER 57 14.763 -7.294 -17.259 435 HA SER 57 HA SER 57 15.816 -4.753 -18.045 436 1HB SER 57 1HB SER 57 17.202 -6.788 -17.494 437 2HB SER 57 2HB SER 57 16.683 -7.477 -19.032 438 HG SER 57 HG SER 57 18.479 -5.435 -18.513 439 H LEU 58 H LEU 58 14.622 -7.549 -19.910 440 HA LEU 58 HA LEU 58 14.701 -6.321 -22.421 441 1HB LEU 58 1HB LEU 58 12.894 -8.508 -21.404 442 2HB LEU 58 2HB LEU 58 13.074 -8.063 -23.100 443 HG LEU 58 HG LEU 58 15.129 -9.332 -21.300 444 1HD1 LEU 58 1HD1 LEU 58 14.262 -11.197 -22.136 445 2HD1 LEU 58 2HD1 LEU 58 14.882 -10.700 -23.710 446 3HD1 LEU 58 3HD1 LEU 58 13.230 -10.295 -23.246 447 1HD2 LEU 58 1HD2 LEU 58 16.624 -9.260 -23.265 448 2HD2 LEU 58 2HD2 LEU 58 16.261 -7.659 -22.620 449 3HD2 LEU 58 3HD2 LEU 58 15.457 -8.223 -24.085 450 H VAL 59 H VAL 59 12.195 -6.371 -19.946 451 HA VAL 59 HA VAL 59 10.125 -5.222 -21.469 452 HB VAL 59 HB VAL 59 10.606 -5.053 -18.491 453 1HG1 VAL 59 1HG1 VAL 59 8.934 -3.575 -18.516 454 2HG1 VAL 59 2HG1 VAL 59 8.556 -3.908 -20.207 455 3HG1 VAL 59 3HG1 VAL 59 7.889 -4.932 -18.935 456 1HG2 VAL 59 1HG2 VAL 59 9.740 -7.109 -18.281 457 2HG2 VAL 59 2HG2 VAL 59 8.501 -6.813 -19.501 458 3HG2 VAL 59 3HG2 VAL 59 10.126 -7.290 -19.992 459 H ALA 60 H ALA 60 12.296 -3.683 -19.090 460 HA ALA 60 HA ALA 60 11.503 -1.067 -19.394 461 1HB ALA 60 1HB ALA 60 14.018 -2.386 -18.565 462 2HB ALA 60 2HB ALA 60 14.106 -0.670 -18.962 463 3HB ALA 60 3HB ALA 60 13.004 -1.228 -17.704 464 H ARG 61 H ARG 61 14.158 -2.665 -21.166 465 HA ARG 61 HA ARG 61 14.891 -0.593 -22.822 466 1HB ARG 61 1HB ARG 61 14.801 -3.558 -23.393 467 2HB ARG 61 2HB ARG 61 15.579 -2.387 -24.450 468 1HG ARG 61 1HG ARG 61 16.933 -1.714 -22.377 469 2HG ARG 61 2HG ARG 61 16.363 -3.237 -21.690 470 1HD ARG 61 1HD ARG 61 18.049 -2.816 -24.144 471 2HD ARG 61 2HD ARG 61 18.467 -3.693 -22.673 472 HE ARG 61 HE ARG 61 16.267 -4.978 -23.721 473 1HH1 ARG 61 1HH1 ARG 61 19.506 -4.239 -24.760 474 2HH1 ARG 61 2HH1 ARG 61 19.643 -5.640 -25.769 475 1HH2 ARG 61 1HH2 ARG 61 16.434 -6.828 -25.046 476 2HH2 ARG 61 2HH2 ARG 61 17.894 -7.112 -25.931 477 H LEU 62 H LEU 62 12.300 -2.963 -23.317 478 HA LEU 62 HA LEU 62 11.528 -2.154 -25.882 479 1HB LEU 62 1HB LEU 62 10.759 -4.228 -24.931 480 2HB LEU 62 2HB LEU 62 9.915 -3.368 -23.645 481 HG LEU 62 HG LEU 62 9.012 -2.584 -26.300 482 1HD1 LEU 62 1HD1 LEU 62 8.980 -5.473 -25.511 483 2HD1 LEU 62 2HD1 LEU 62 9.375 -4.748 -27.069 484 3HD1 LEU 62 3HD1 LEU 62 7.702 -4.786 -26.513 485 1HD2 LEU 62 1HD2 LEU 62 6.814 -3.228 -25.204 486 2HD2 LEU 62 2HD2 LEU 62 7.734 -1.936 -24.432 487 3HD2 LEU 62 3HD2 LEU 62 7.756 -3.563 -23.751 488 H ILE 63 H ILE 63 10.121 -1.247 -22.733 489 HA ILE 63 HA ILE 63 8.262 0.595 -23.691 490 HB ILE 63 HB ILE 63 9.686 0.386 -21.050 491 1HG1 ILE 63 1HG1 ILE 63 6.786 -0.015 -21.813 492 2HG1 ILE 63 2HG1 ILE 63 7.969 -1.312 -21.687 493 1HG2 ILE 63 1HG2 ILE 63 8.040 2.596 -22.091 494 2HG2 ILE 63 2HG2 ILE 63 7.618 2.017 -20.481 495 3HG2 ILE 63 3HG2 ILE 63 9.254 2.587 -20.812 496 1HD1 ILE 63 1HD1 ILE 63 6.739 -1.322 -19.681 497 2HD1 ILE 63 2HD1 ILE 63 8.302 -0.603 -19.293 498 3HD1 ILE 63 3HD1 ILE 63 6.884 0.425 -19.495 499 H ILE 64 H ILE 64 11.567 1.168 -22.495 500 HA ILE 64 HA ILE 64 11.653 3.922 -22.817 501 HB ILE 64 HB ILE 64 13.865 1.892 -23.109 502 1HG1 ILE 64 1HG1 ILE 64 13.837 3.743 -20.831 503 2HG1 ILE 64 2HG1 ILE 64 12.448 2.662 -20.884 504 1HG2 ILE 64 1HG2 ILE 64 14.938 3.599 -24.131 505 2HG2 ILE 64 2HG2 ILE 64 13.866 4.823 -23.452 506 3HG2 ILE 64 3HG2 ILE 64 15.168 4.149 -22.471 507 1HD1 ILE 64 1HD1 ILE 64 15.184 2.122 -20.148 508 2HD1 ILE 64 2HD1 ILE 64 13.729 1.162 -19.880 509 3HD1 ILE 64 3HD1 ILE 64 14.614 1.016 -21.398 510 H HIS 65 H HIS 65 12.434 1.377 -25.164 511 HA HIS 65 HA HIS 65 13.299 3.033 -27.246 512 1HB HIS 65 1HB HIS 65 13.059 0.331 -26.891 513 2HB HIS 65 2HB HIS 65 11.800 0.644 -28.082 514 HD1 HIS 65 HD1 HIS 65 15.497 0.601 -27.640 515 HD2 HIS 65 HD2 HIS 65 12.726 1.492 -30.604 516 HE1 HIS 65 HE1 HIS 65 16.820 0.752 -29.773 517 H PHE 66 H PHE 66 10.079 2.072 -26.237 518 HA PHE 66 HA PHE 66 8.709 3.011 -28.534 519 1HB PHE 66 1HB PHE 66 7.931 2.207 -25.769 520 2HB PHE 66 2HB PHE 66 6.771 3.128 -26.720 521 HD1 PHE 66 HD1 PHE 66 6.424 2.218 -29.180 522 HD2 PHE 66 HD2 PHE 66 7.874 -0.081 -25.905 523 HE1 PHE 66 HE1 PHE 66 5.721 0.155 -30.322 524 HE2 PHE 66 HE2 PHE 66 7.174 -2.148 -27.041 525 HZ PHE 66 HZ PHE 66 6.097 -2.032 -29.253 526 H ARG 67 H ARG 67 9.410 4.467 -25.378 527 HA ARG 67 HA ARG 67 8.005 6.862 -25.759 528 1HB ARG 67 1HB ARG 67 10.435 6.232 -24.081 529 2HB ARG 67 2HB ARG 67 9.591 7.773 -24.020 530 1HG ARG 67 1HG ARG 67 7.885 6.942 -22.818 531 2HG ARG 67 2HG ARG 67 7.893 5.400 -23.676 532 1HD ARG 67 1HD ARG 67 8.735 4.587 -21.760 533 2HD ARG 67 2HD ARG 67 10.252 5.277 -22.335 534 HE ARG 67 HE ARG 67 10.140 6.804 -20.642 535 1HH1 ARG 67 1HH1 ARG 67 6.971 5.451 -21.140 536 2HH1 ARG 67 2HH1 ARG 67 6.273 6.247 -19.769 537 1HH2 ARG 67 1HH2 ARG 67 9.233 7.857 -18.834 538 2HH2 ARG 67 2HH2 ARG 67 7.560 7.616 -18.458 539 H ASP 68 H ASP 68 11.257 5.892 -26.681 540 HA ASP 68 HA ASP 68 12.163 8.461 -27.464 541 1HB ASP 68 1HB ASP 68 13.167 5.755 -27.492 542 2HB ASP 68 2HB ASP 68 13.520 6.552 -29.023 543 H ILE 69 H ILE 69 10.851 5.727 -29.325 544 HA ILE 69 HA ILE 69 10.998 6.789 -31.867 545 HB ILE 69 HB ILE 69 8.788 5.064 -30.741 546 1HG1 ILE 69 1HG1 ILE 69 10.978 4.005 -32.459 547 2HG1 ILE 69 2HG1 ILE 69 11.373 4.393 -30.788 548 1HG2 ILE 69 1HG2 ILE 69 9.497 5.880 -33.533 549 2HG2 ILE 69 2HG2 ILE 69 8.688 4.346 -33.218 550 3HG2 ILE 69 3HG2 ILE 69 7.920 5.861 -32.743 551 1HD1 ILE 69 1HD1 ILE 69 9.832 2.178 -31.890 552 2HD1 ILE 69 2HD1 ILE 69 10.700 2.314 -30.361 553 3HD1 ILE 69 3HD1 ILE 69 9.068 2.966 -30.510 554 H HIS 70 H HIS 70 8.375 7.164 -29.498 555 HA HIS 70 HA HIS 70 6.864 8.911 -31.204 556 1HB HIS 70 1HB HIS 70 5.642 7.567 -29.638 557 2HB HIS 70 2HB HIS 70 6.597 8.171 -28.287 558 HD1 HIS 70 HD1 HIS 70 5.554 10.013 -27.008 559 HD2 HIS 70 HD2 HIS 70 4.036 9.756 -30.867 560 HE1 HIS 70 HE1 HIS 70 3.722 11.732 -27.126 561 H ASN 71 H ASN 71 9.349 9.280 -28.825 562 HA ASN 71 HA ASN 71 8.879 11.965 -28.095 563 1HB ASN 71 1HB ASN 71 10.338 10.688 -26.716 564 2HB ASN 71 2HB ASN 71 11.366 10.257 -28.080 565 1HD2 ASN 71 1HD2 ASN 71 10.647 12.591 -25.676 566 2HD2 ASN 71 2HD2 ASN 71 11.936 13.684 -26.034 567 H LYS 72 H LYS 72 10.466 10.489 -30.830 568 HA LYS 72 HA LYS 72 12.008 12.574 -31.790 569 1HB LYS 72 1HB LYS 72 10.384 10.560 -33.355 570 2HB LYS 72 2HB LYS 72 11.639 11.583 -34.043 571 1HG LYS 72 1HG LYS 72 12.611 10.144 -31.738 572 2HG LYS 72 2HG LYS 72 11.952 9.049 -32.956 573 1HD LYS 72 1HD LYS 72 14.169 9.269 -33.608 574 2HD LYS 72 2HD LYS 72 13.345 10.453 -34.626 575 1HE LYS 72 1HE LYS 72 15.144 11.670 -33.849 576 2HE LYS 72 2HE LYS 72 13.892 12.098 -32.684 577 1HZ LYS 72 1HZ LYS 72 14.797 10.313 -31.235 578 2HZ LYS 72 2HZ LYS 72 15.867 11.597 -31.491 579 3HZ LYS 72 3HZ LYS 72 16.087 10.137 -32.316 580 H LYS 73 H LYS 73 11.517 13.891 -33.795 581 HA LYS 73 HA LYS 73 9.593 15.801 -33.275 582 1HB LYS 73 1HB LYS 73 11.580 15.498 -35.134 583 2HB LYS 73 2HB LYS 73 10.138 15.408 -36.137 584 1HG LYS 73 1HG LYS 73 9.887 17.579 -34.289 585 2HG LYS 73 2HG LYS 73 11.420 17.701 -35.156 586 1HD LYS 73 1HD LYS 73 8.892 17.118 -36.647 587 2HD LYS 73 2HD LYS 73 9.276 18.773 -36.169 588 1HE LYS 73 1HE LYS 73 11.604 17.594 -37.308 589 2HE LYS 73 2HE LYS 73 10.245 17.304 -38.393 590 1HZ LYS 73 1HZ LYS 73 10.358 19.987 -37.352 591 2HZ LYS 73 2HZ LYS 73 10.134 19.451 -38.940 592 3HZ LYS 73 3HZ LYS 73 11.696 19.574 -38.301 593 H SER 74 H SER 74 7.506 15.285 -32.963 594 HA SER 74 HA SER 74 5.943 14.456 -35.233 595 1HB SER 74 1HB SER 74 6.327 12.639 -32.865 596 2HB SER 74 2HB SER 74 4.849 12.581 -33.825 597 HG SER 74 HG SER 74 6.323 11.105 -34.652 598 H GLN 75 H GLN 75 6.026 16.812 -33.722 599 HA GLN 75 HA GLN 75 4.678 18.314 -32.673 600 1HB GLN 75 1HB GLN 75 3.144 17.316 -34.510 601 2HB GLN 75 2HB GLN 75 2.349 16.487 -33.178 602 1HG GLN 75 1HG GLN 75 1.053 18.331 -33.233 603 2HG GLN 75 2HG GLN 75 2.324 18.951 -32.182 604 1HE2 GLN 75 1HE2 GLN 75 0.478 19.664 -34.775 605 2HE2 GLN 75 2HE2 GLN 75 1.489 20.828 -35.554 606 H ALA 76 H ALA 76 5.906 17.286 -30.763 607 HA ALA 76 HA ALA 76 3.902 16.396 -28.797 608 1HB ALA 76 1HB ALA 76 5.518 14.587 -29.606 609 2HB ALA 76 2HB ALA 76 6.754 15.465 -28.703 610 3HB ALA 76 3HB ALA 76 5.348 14.810 -27.864 611 H SER 77 H SER 77 5.120 16.528 -26.494 612 HA SER 77 HA SER 77 6.669 18.991 -26.301 613 1HB SER 77 1HB SER 77 5.013 19.604 -24.337 614 2HB SER 77 2HB SER 77 4.638 20.056 -26.000 615 HG SER 77 HG SER 77 3.034 18.678 -26.019 616 H VAL 78 H VAL 78 8.408 18.233 -25.272 617 HA VAL 78 HA VAL 78 7.986 16.816 -22.730 618 HB VAL 78 HB VAL 78 10.121 15.542 -23.236 619 1HG1 VAL 78 1HG1 VAL 78 8.884 13.941 -24.817 620 2HG1 VAL 78 2HG1 VAL 78 8.156 14.282 -23.247 621 3HG1 VAL 78 3HG1 VAL 78 7.543 15.079 -24.696 622 1HG2 VAL 78 1HG2 VAL 78 10.239 17.204 -25.422 623 2HG2 VAL 78 2HG2 VAL 78 11.180 15.729 -25.197 624 3HG2 VAL 78 3HG2 VAL 78 9.672 15.683 -26.112 Start of MODEL 7 1 1H GLY 2 HT1 GLY 2 2.464 4.453 -10.945 2 1HA GLY 2 1HA GLY 2 5.124 5.576 -10.312 3 2HA GLY 2 2HA GLY 2 4.659 3.922 -9.944 4 H ALA 3 H ALA 3 6.897 4.947 -11.551 5 HA ALA 3 HA ALA 3 6.194 3.797 -14.171 6 1HB ALA 3 1HB ALA 3 7.121 5.633 -15.010 7 2HB ALA 3 2HB ALA 3 7.704 6.135 -13.423 8 3HB ALA 3 3HB ALA 3 8.674 5.047 -14.415 9 H MET 4 H MET 4 8.715 3.880 -11.673 10 HA MET 4 HA MET 4 9.772 1.355 -12.760 11 1HB MET 4 1HB MET 4 11.110 3.555 -11.192 12 2HB MET 4 2HB MET 4 11.839 1.969 -11.405 13 1HG MET 4 1HG MET 4 12.813 3.017 -13.148 14 2HG MET 4 2HG MET 4 11.331 2.507 -13.953 15 1HE MET 4 1HE MET 4 12.879 6.458 -14.445 16 2HE MET 4 2HE MET 4 13.627 5.472 -13.189 17 3HE MET 4 3HE MET 4 13.386 4.808 -14.805 18 H GLY 5 H GLY 5 9.383 -0.416 -11.610 19 1HA GLY 5 1HA GLY 5 9.489 -0.381 -8.723 20 2HA GLY 5 2HA GLY 5 7.881 -0.666 -9.372 21 H GLN 6 H GLN 6 10.587 -2.154 -8.246 22 HA GLN 6 HA GLN 6 9.902 -4.644 -9.654 23 1HB GLN 6 1HB GLN 6 12.190 -5.280 -9.814 24 2HB GLN 6 2HB GLN 6 12.078 -3.638 -10.435 25 1HG GLN 6 1HG GLN 6 12.716 -2.952 -8.019 26 2HG GLN 6 2HG GLN 6 13.280 -4.616 -7.885 27 1HE2 GLN 6 1HE2 GLN 6 14.564 -1.838 -8.075 28 2HE2 GLN 6 2HE2 GLN 6 15.817 -2.057 -9.244 29 H GLU 7 H GLU 7 10.651 -6.609 -8.443 30 HA GLU 7 HA GLU 7 11.330 -6.551 -5.728 31 1HB GLU 7 1HB GLU 7 8.619 -5.874 -6.198 32 2HB GLU 7 2HB GLU 7 8.633 -7.500 -5.529 33 1HG GLU 7 1HG GLU 7 9.583 -6.817 -3.537 34 2HG GLU 7 2HG GLU 7 10.234 -5.336 -4.237 35 H THR 8 H THR 8 10.289 -8.759 -4.674 36 HA THR 8 HA THR 8 11.307 -10.837 -6.424 37 HB THR 8 HB THR 8 11.317 -12.274 -4.521 38 HG1 THR 8 HG1 THR 8 10.242 -11.748 -2.614 39 1HG2 THR 8 1HG2 THR 8 12.976 -11.240 -3.387 40 2HG2 THR 8 2HG2 THR 8 11.993 -9.817 -3.043 41 3HG2 THR 8 3HG2 THR 8 12.772 -9.992 -4.615 42 H ASP 9 H ASP 9 10.018 -13.066 -5.917 43 HA ASP 9 HA ASP 9 8.238 -14.308 -6.611 44 1HB ASP 9 1HB ASP 9 6.437 -12.206 -5.441 45 2HB ASP 9 2HB ASP 9 6.237 -13.956 -5.445 46 H TRP 10 H TRP 10 9.086 -13.185 -8.752 47 HA TRP 10 HA TRP 10 7.194 -11.404 -9.993 48 1HB TRP 10 1HB TRP 10 8.647 -11.398 -11.864 49 2HB TRP 10 2HB TRP 10 9.699 -11.476 -10.453 50 HD1 TRP 10 HD1 TRP 10 10.327 -14.244 -9.806 51 HE1 TRP 10 HE1 TRP 10 11.192 -16.006 -11.471 52 HE3 TRP 10 HE3 TRP 10 8.752 -12.085 -14.165 53 HZ2 TRP 10 HZ2 TRP 10 11.206 -16.425 -14.262 54 HZ3 TRP 10 HZ3 TRP 10 9.232 -13.231 -16.289 55 HH2 TRP 10 HH2 TRP 10 10.434 -15.356 -16.335 56 H ARG 11 H ARG 11 7.079 -14.609 -9.307 57 HA ARG 11 HA ARG 11 5.833 -15.454 -11.800 58 1HB ARG 11 1HB ARG 11 7.029 -16.778 -9.487 59 2HB ARG 11 2HB ARG 11 5.514 -17.518 -9.988 60 1HG ARG 11 1HG ARG 11 6.341 -18.051 -12.108 61 2HG ARG 11 2HG ARG 11 7.698 -16.934 -11.954 62 1HD ARG 11 1HD ARG 11 8.868 -18.776 -11.425 63 2HD ARG 11 2HD ARG 11 8.125 -18.580 -9.838 64 HE ARG 11 HE ARG 11 6.906 -20.474 -10.223 65 1HH1 ARG 11 1HH1 ARG 11 8.151 -19.297 -13.254 66 2HH1 ARG 11 2HH1 ARG 11 7.622 -20.678 -14.157 67 1HH2 ARG 11 1HH2 ARG 11 6.204 -22.297 -11.401 68 2HH2 ARG 11 2HH2 ARG 11 6.514 -22.383 -13.102 69 H SER 12 H SER 12 4.934 -14.082 -8.839 70 HA SER 12 HA SER 12 2.419 -15.265 -8.403 71 1HB SER 12 1HB SER 12 3.144 -14.024 -6.584 72 2HB SER 12 2HB SER 12 3.704 -12.686 -7.588 73 HG SER 12 HG SER 12 1.877 -11.830 -6.967 74 H THR 13 H THR 13 0.373 -14.748 -9.081 75 HA THR 13 HA THR 13 -0.021 -13.853 -11.669 76 HB THR 13 HB THR 13 -2.176 -13.486 -9.614 77 HG1 THR 13 HG1 THR 13 -1.937 -15.503 -9.045 78 1HG2 THR 13 1HG2 THR 13 -2.089 -14.449 -12.472 79 2HG2 THR 13 2HG2 THR 13 -2.796 -12.952 -11.864 80 3HG2 THR 13 3HG2 THR 13 -3.532 -14.503 -11.462 81 H ALA 14 H ALA 14 -0.523 -12.051 -8.638 82 HA ALA 14 HA ALA 14 -1.418 -9.656 -9.692 83 1HB ALA 14 1HB ALA 14 -0.582 -10.588 -7.181 84 2HB ALA 14 2HB ALA 14 0.355 -9.129 -7.501 85 3HB ALA 14 3HB ALA 14 -1.407 -9.073 -7.551 86 H PHE 15 H PHE 15 1.950 -10.595 -9.001 87 HA PHE 15 HA PHE 15 3.232 -8.292 -9.805 88 1HB PHE 15 1HB PHE 15 4.142 -10.571 -8.842 89 2HB PHE 15 2HB PHE 15 4.424 -10.935 -10.541 90 HD1 PHE 15 HD1 PHE 15 5.903 -9.421 -11.880 91 HD2 PHE 15 HD2 PHE 15 5.577 -9.151 -7.645 92 HE1 PHE 15 HE1 PHE 15 8.013 -8.159 -11.802 93 HE2 PHE 15 HE2 PHE 15 7.686 -7.888 -7.560 94 HZ PHE 15 HZ PHE 15 8.907 -7.390 -9.640 95 H ARG 16 H ARG 16 3.027 -11.191 -11.870 96 HA ARG 16 HA ARG 16 3.771 -9.981 -14.242 97 1HB ARG 16 1HB ARG 16 3.488 -12.454 -13.793 98 2HB ARG 16 2HB ARG 16 1.763 -12.224 -14.041 99 1HG ARG 16 1HG ARG 16 2.272 -11.356 -16.318 100 2HG ARG 16 2HG ARG 16 3.960 -11.796 -16.050 101 1HD ARG 16 1HD ARG 16 1.563 -13.604 -16.212 102 2HD ARG 16 2HD ARG 16 2.989 -13.588 -17.248 103 HE ARG 16 HE ARG 16 3.947 -14.123 -14.741 104 1HH1 ARG 16 1HH1 ARG 16 1.602 -15.573 -16.867 105 2HH1 ARG 16 2HH1 ARG 16 1.860 -17.178 -16.269 106 1HH2 ARG 16 1HH2 ARG 16 4.295 -16.232 -13.946 107 2HH2 ARG 16 2HH2 ARG 16 3.391 -17.552 -14.607 108 H GLN 17 H GLN 17 0.491 -10.457 -12.959 109 HA GLN 17 HA GLN 17 -0.994 -9.447 -15.044 110 1HB GLN 17 1HB GLN 17 -1.924 -10.470 -12.980 111 2HB GLN 17 2HB GLN 17 -1.540 -8.993 -12.106 112 1HG GLN 17 1HG GLN 17 -3.319 -8.995 -14.519 113 2HG GLN 17 2HG GLN 17 -3.934 -9.304 -12.896 114 1HE2 GLN 17 1HE2 GLN 17 -3.664 -6.998 -15.132 115 2HE2 GLN 17 2HE2 GLN 17 -3.587 -5.591 -14.132 116 H LYS 18 H LYS 18 0.438 -7.629 -12.344 117 HA LYS 18 HA LYS 18 -0.470 -5.094 -13.028 118 1HB LYS 18 1HB LYS 18 1.607 -6.217 -11.323 119 2HB LYS 18 2HB LYS 18 2.077 -4.666 -12.005 120 1HG LYS 18 1HG LYS 18 -0.045 -3.707 -11.152 121 2HG LYS 18 2HG LYS 18 -0.379 -5.252 -10.366 122 1HD LYS 18 1HD LYS 18 1.908 -4.965 -9.249 123 2HD LYS 18 2HD LYS 18 1.818 -3.286 -9.786 124 1HE LYS 18 1HE LYS 18 -0.304 -3.027 -8.583 125 2HE LYS 18 2HE LYS 18 -0.195 -4.700 -8.038 126 1HZ LYS 18 1HZ LYS 18 1.815 -4.161 -6.839 127 2HZ LYS 18 2HZ LYS 18 0.566 -3.130 -6.351 128 3HZ LYS 18 3HZ LYS 18 1.768 -2.565 -7.399 129 H LEU 19 H LEU 19 2.670 -6.567 -13.864 130 HA LEU 19 HA LEU 19 3.642 -4.523 -15.464 131 1HB LEU 19 1HB LEU 19 4.077 -7.487 -15.463 132 2HB LEU 19 2HB LEU 19 4.859 -6.461 -16.663 133 HG LEU 19 HG LEU 19 5.503 -5.208 -14.311 134 1HD1 LEU 19 1HD1 LEU 19 6.465 -7.183 -12.984 135 2HD1 LEU 19 2HD1 LEU 19 5.268 -8.157 -13.837 136 3HD1 LEU 19 3HD1 LEU 19 4.747 -6.820 -12.811 137 1HD2 LEU 19 1HD2 LEU 19 7.684 -6.665 -14.664 138 2HD2 LEU 19 2HD2 LEU 19 7.221 -5.395 -15.797 139 3HD2 LEU 19 3HD2 LEU 19 6.865 -7.082 -16.170 140 H VAL 20 H VAL 20 1.643 -7.310 -16.377 141 HA VAL 20 HA VAL 20 1.562 -7.027 -19.106 142 HB VAL 20 HB VAL 20 -0.563 -7.901 -17.168 143 1HG1 VAL 20 1HG1 VAL 20 -1.787 -8.775 -19.185 144 2HG1 VAL 20 2HG1 VAL 20 -1.834 -7.023 -18.973 145 3HG1 VAL 20 3HG1 VAL 20 -0.752 -7.739 -20.168 146 1HG2 VAL 20 1HG2 VAL 20 1.096 -9.522 -17.296 147 2HG2 VAL 20 2HG2 VAL 20 -0.088 -10.080 -18.478 148 3HG2 VAL 20 3HG2 VAL 20 1.371 -9.248 -19.017 149 H SER 21 H SER 21 -0.573 -5.428 -16.748 150 HA SER 21 HA SER 21 -2.096 -3.969 -18.582 151 1HB SER 21 1HB SER 21 -1.362 -3.153 -15.760 152 2HB SER 21 2HB SER 21 -2.735 -2.562 -16.696 153 HG SER 21 HG SER 21 -3.396 -4.846 -16.770 154 H GLN 22 H GLN 22 0.835 -3.030 -16.802 155 HA GLN 22 HA GLN 22 1.079 -0.422 -17.684 156 1HB GLN 22 1HB GLN 22 3.338 -2.375 -17.216 157 2HB GLN 22 2HB GLN 22 3.464 -0.621 -17.203 158 1HG GLN 22 1HG GLN 22 2.242 -2.448 -15.191 159 2HG GLN 22 2HG GLN 22 3.384 -1.124 -14.962 160 1HE2 GLN 22 1HE2 GLN 22 2.562 1.058 -15.273 161 2HE2 GLN 22 2HE2 GLN 22 0.918 1.400 -14.869 162 H ILE 23 H ILE 23 2.496 -3.338 -19.164 163 HA ILE 23 HA ILE 23 3.685 -2.095 -21.356 164 HB ILE 23 HB ILE 23 2.533 -4.879 -21.160 165 1HG1 ILE 23 1HG1 ILE 23 5.418 -4.648 -21.213 166 2HG1 ILE 23 2HG1 ILE 23 4.740 -3.700 -19.893 167 1HG2 ILE 23 1HG2 ILE 23 4.252 -3.583 -23.255 168 2HG2 ILE 23 2HG2 ILE 23 4.183 -5.331 -23.036 169 3HG2 ILE 23 3HG2 ILE 23 2.724 -4.438 -23.464 170 1HD1 ILE 23 1HD1 ILE 23 3.368 -5.948 -19.525 171 2HD1 ILE 23 2HD1 ILE 23 4.804 -6.623 -20.296 172 3HD1 ILE 23 3HD1 ILE 23 4.961 -5.672 -18.819 173 H GLU 24 H GLU 24 0.378 -3.172 -20.855 174 HA GLU 24 HA GLU 24 -0.448 -2.821 -23.562 175 1HB GLU 24 1HB GLU 24 -1.536 -4.053 -21.393 176 2HB GLU 24 2HB GLU 24 -2.498 -2.583 -21.457 177 1HG GLU 24 1HG GLU 24 -2.180 -3.854 -24.056 178 2HG GLU 24 2HG GLU 24 -2.973 -4.884 -22.865 179 H ASP 25 H ASP 25 -0.430 -0.797 -20.689 180 HA ASP 25 HA ASP 25 -2.002 1.304 -21.800 181 1HB ASP 25 1HB ASP 25 -1.500 0.802 -19.314 182 2HB ASP 25 2HB ASP 25 0.003 1.678 -19.588 183 H ALA 26 H ALA 26 1.489 0.816 -21.380 184 HA ALA 26 HA ALA 26 2.332 3.275 -22.425 185 1HB ALA 26 1HB ALA 26 4.175 1.151 -23.066 186 2HB ALA 26 2HB ALA 26 4.346 2.481 -21.921 187 3HB ALA 26 3HB ALA 26 3.558 0.984 -21.422 188 H MET 27 H MET 27 1.739 0.163 -24.018 189 HA MET 27 HA MET 27 2.616 0.906 -26.581 190 1HB MET 27 1HB MET 27 1.445 -1.365 -25.374 191 2HB MET 27 2HB MET 27 0.429 -0.949 -26.748 192 1HG MET 27 1HG MET 27 2.691 -0.803 -28.025 193 2HG MET 27 2HG MET 27 3.288 -1.788 -26.692 194 1HE MET 27 1HE MET 27 0.423 -1.202 -28.916 195 2HE MET 27 2HE MET 27 0.499 -2.561 -30.037 196 3HE MET 27 3HE MET 27 -0.545 -2.646 -28.617 197 H ARG 28 H ARG 28 -0.615 0.990 -25.107 198 HA ARG 28 HA ARG 28 -2.104 1.816 -27.279 199 1HB ARG 28 1HB ARG 28 -3.241 1.244 -25.272 200 2HB ARG 28 2HB ARG 28 -2.371 2.461 -24.347 201 1HG ARG 28 1HG ARG 28 -3.852 4.042 -24.845 202 2HG ARG 28 2HG ARG 28 -3.859 3.610 -26.557 203 1HD ARG 28 1HD ARG 28 -5.457 1.873 -26.183 204 2HD ARG 28 2HD ARG 28 -5.322 2.053 -24.434 205 HE ARG 28 HE ARG 28 -6.810 3.783 -24.542 206 1HH1 ARG 28 1HH1 ARG 28 -5.520 3.205 -27.724 207 2HH1 ARG 28 2HH1 ARG 28 -6.594 4.319 -28.504 208 1HH2 ARG 28 1HH2 ARG 28 -8.229 5.253 -25.557 209 2HH2 ARG 28 2HH2 ARG 28 -8.133 5.484 -27.270 210 H LYS 29 H LYS 29 -0.574 3.926 -24.843 211 HA LYS 29 HA LYS 29 -1.144 6.317 -26.283 212 1HB LYS 29 1HB LYS 29 -0.201 5.658 -23.723 213 2HB LYS 29 2HB LYS 29 1.095 6.581 -24.472 214 1HG LYS 29 1HG LYS 29 -0.491 8.385 -24.968 215 2HG LYS 29 2HG LYS 29 -1.771 7.461 -24.178 216 1HD LYS 29 1HD LYS 29 -0.221 7.444 -22.131 217 2HD LYS 29 2HD LYS 29 0.665 8.727 -22.958 218 1HE LYS 29 1HE LYS 29 -1.802 9.710 -23.200 219 2HE LYS 29 2HE LYS 29 -2.039 8.754 -21.738 220 1HZ LYS 29 1HZ LYS 29 0.104 9.936 -20.967 221 2HZ LYS 29 2HZ LYS 29 -1.362 10.778 -20.913 222 3HZ LYS 29 3HZ LYS 29 -0.267 11.065 -22.171 223 H ALA 30 H ALA 30 1.378 3.971 -26.414 224 HA ALA 30 HA ALA 30 3.414 5.589 -27.546 225 1HB ALA 30 1HB ALA 30 4.411 3.419 -28.247 226 2HB ALA 30 2HB ALA 30 3.999 3.497 -26.534 227 3HB ALA 30 3HB ALA 30 2.961 2.611 -27.650 228 H GLY 31 H GLY 31 0.617 3.982 -28.854 229 1HA GLY 31 1HA GLY 31 -0.334 4.072 -30.943 230 2HA GLY 31 2HA GLY 31 0.757 5.404 -31.296 231 H VAL 32 H VAL 32 0.588 1.868 -31.121 232 HA VAL 32 HA VAL 32 2.501 1.764 -33.357 233 HB VAL 32 HB VAL 32 3.327 -0.418 -32.373 234 1HG1 VAL 32 1HG1 VAL 32 5.038 0.635 -31.217 235 2HG1 VAL 32 2HG1 VAL 32 4.413 1.932 -32.239 236 3HG1 VAL 32 3HG1 VAL 32 3.963 1.855 -30.534 237 1HG2 VAL 32 1HG2 VAL 32 2.768 -1.109 -30.281 238 2HG2 VAL 32 2HG2 VAL 32 2.489 0.529 -29.692 239 3HG2 VAL 32 3HG2 VAL 32 1.270 -0.269 -30.684 240 H ALA 33 H ALA 33 2.506 -0.724 -34.122 241 HA ALA 33 HA ALA 33 0.040 -2.115 -33.999 242 1HB ALA 33 1HB ALA 33 -1.018 -1.582 -35.978 243 2HB ALA 33 2HB ALA 33 -0.413 -0.008 -35.460 244 3HB ALA 33 3HB ALA 33 0.445 -0.917 -36.704 245 H HIS 34 H HIS 34 2.426 -3.133 -33.564 246 HA HIS 34 HA HIS 34 3.095 -4.614 -36.023 247 1HB HIS 34 1HB HIS 34 4.965 -3.211 -35.390 248 2HB HIS 34 2HB HIS 34 4.909 -3.817 -33.738 249 HD1 HIS 34 HD1 HIS 34 7.170 -4.914 -33.641 250 HD2 HIS 34 HD2 HIS 34 4.921 -6.157 -36.905 251 HE1 HIS 34 HE1 HIS 34 8.450 -6.830 -34.648 252 H SER 35 H SER 35 3.869 -5.060 -32.579 253 HA SER 35 HA SER 35 3.737 -7.835 -32.608 254 1HB SER 35 1HB SER 35 3.103 -7.328 -30.033 255 2HB SER 35 2HB SER 35 4.738 -7.162 -30.673 256 HG SER 35 HG SER 35 2.944 -4.999 -30.792 257 H LYS 36 H LYS 36 2.127 -9.026 -31.036 258 HA LYS 36 HA LYS 36 -0.458 -8.812 -32.272 259 1HB LYS 36 1HB LYS 36 0.916 -10.909 -31.319 260 2HB LYS 36 2HB LYS 36 -0.065 -10.560 -29.902 261 1HG LYS 36 1HG LYS 36 -1.427 -10.725 -32.534 262 2HG LYS 36 2HG LYS 36 -0.872 -12.222 -31.782 263 1HD LYS 36 1HD LYS 36 -2.083 -11.486 -29.696 264 2HD LYS 36 2HD LYS 36 -2.795 -10.191 -30.661 265 1HE LYS 36 1HE LYS 36 -3.101 -12.635 -32.081 266 2HE LYS 36 2HE LYS 36 -3.634 -12.894 -30.420 267 1HZ LYS 36 1HZ LYS 36 -4.562 -10.659 -32.140 268 2HZ LYS 36 2HZ LYS 36 -5.150 -11.073 -30.609 269 3HZ LYS 36 3HZ LYS 36 -5.409 -12.107 -31.923 270 H SER 37 H SER 37 0.424 -8.965 -28.819 271 HA SER 37 HA SER 37 -1.076 -6.614 -28.176 272 1HB SER 37 1HB SER 37 -3.033 -7.899 -28.312 273 2HB SER 37 2HB SER 37 -2.250 -9.332 -27.647 274 HG SER 37 HG SER 37 -3.651 -7.540 -26.344 275 H SER 38 H SER 38 -1.032 -6.135 -25.858 276 HA SER 38 HA SER 38 1.464 -6.440 -24.723 277 1HB SER 38 1HB SER 38 -0.248 -4.748 -24.047 278 2HB SER 38 2HB SER 38 -1.111 -6.023 -23.187 279 HG SER 38 HG SER 38 0.148 -5.401 -21.608 280 H LYS 39 H LYS 39 -1.454 -8.365 -24.173 281 HA LYS 39 HA LYS 39 -0.477 -9.980 -22.106 282 1HB LYS 39 1HB LYS 39 -2.749 -9.984 -23.924 283 2HB LYS 39 2HB LYS 39 -2.191 -11.613 -23.567 284 1HG LYS 39 1HG LYS 39 -3.586 -11.405 -21.818 285 2HG LYS 39 2HG LYS 39 -2.206 -10.582 -21.087 286 1HD LYS 39 1HD LYS 39 -3.112 -8.462 -21.491 287 2HD LYS 39 2HD LYS 39 -4.253 -9.079 -22.688 288 1HE LYS 39 1HE LYS 39 -5.373 -10.338 -20.835 289 2HE LYS 39 2HE LYS 39 -4.325 -9.487 -19.702 290 1HZ LYS 39 1HZ LYS 39 -6.559 -8.464 -21.296 291 2HZ LYS 39 2HZ LYS 39 -5.278 -7.413 -20.956 292 3HZ LYS 39 3HZ LYS 39 -6.139 -8.133 -19.690 293 H ASP 40 H ASP 40 -0.417 -10.460 -25.623 294 HA ASP 40 HA ASP 40 0.881 -12.980 -25.527 295 1HB ASP 40 1HB ASP 40 0.068 -11.057 -27.588 296 2HB ASP 40 2HB ASP 40 1.536 -11.944 -27.990 297 H MET 41 H MET 41 2.038 -9.659 -25.822 298 HA MET 41 HA MET 41 4.740 -10.281 -26.349 299 1HB MET 41 1HB MET 41 3.174 -7.907 -25.706 300 2HB MET 41 2HB MET 41 4.782 -7.862 -24.995 301 1HG MET 41 1HG MET 41 5.825 -8.043 -27.105 302 2HG MET 41 2HG MET 41 4.309 -8.467 -27.896 303 1HE MET 41 1HE MET 41 6.639 -6.553 -28.348 304 2HE MET 41 2HE MET 41 5.766 -5.369 -29.320 305 3HE MET 41 3HE MET 41 6.476 -4.892 -27.777 306 H GLU 42 H GLU 42 3.070 -9.456 -23.315 307 HA GLU 42 HA GLU 42 5.267 -9.621 -21.611 308 1HB GLU 42 1HB GLU 42 2.660 -9.012 -21.269 309 2HB GLU 42 2HB GLU 42 2.686 -10.620 -20.559 310 1HG GLU 42 1HG GLU 42 4.913 -9.039 -19.634 311 2HG GLU 42 2HG GLU 42 3.378 -8.227 -19.331 312 H SER 43 H SER 43 2.898 -12.146 -22.442 313 HA SER 43 HA SER 43 3.884 -14.214 -20.910 314 1HB SER 43 1HB SER 43 2.393 -14.078 -23.491 315 2HB SER 43 2HB SER 43 3.061 -15.635 -23.002 316 HG SER 43 HG SER 43 0.852 -14.445 -22.129 317 H HIS 44 H HIS 44 4.825 -13.351 -24.231 318 HA HIS 44 HA HIS 44 6.707 -15.352 -24.651 319 1HB HIS 44 1HB HIS 44 5.999 -13.972 -26.484 320 2HB HIS 44 2HB HIS 44 6.601 -12.518 -25.694 321 HD1 HIS 44 HD1 HIS 44 8.147 -11.970 -27.686 322 HD2 HIS 44 HD2 HIS 44 8.939 -15.629 -25.884 323 HE1 HIS 44 HE1 HIS 44 10.375 -12.699 -28.595 324 H VAL 45 H VAL 45 7.103 -12.163 -23.161 325 HA VAL 45 HA VAL 45 9.887 -12.247 -22.825 326 HB VAL 45 HB VAL 45 7.950 -10.878 -20.961 327 1HG1 VAL 45 1HG1 VAL 45 10.418 -9.512 -21.657 328 2HG1 VAL 45 2HG1 VAL 45 9.721 -9.853 -20.072 329 3HG1 VAL 45 3HG1 VAL 45 10.702 -11.072 -20.887 330 1HG2 VAL 45 1HG2 VAL 45 8.380 -10.455 -23.772 331 2HG2 VAL 45 2HG2 VAL 45 7.247 -9.657 -22.682 332 3HG2 VAL 45 3HG2 VAL 45 8.890 -9.040 -22.851 333 H PHE 46 H PHE 46 7.273 -13.145 -20.582 334 HA PHE 46 HA PHE 46 8.774 -13.867 -18.388 335 1HB PHE 46 1HB PHE 46 6.191 -13.848 -18.765 336 2HB PHE 46 2HB PHE 46 6.420 -15.537 -19.207 337 HD1 PHE 46 HD1 PHE 46 6.310 -13.129 -16.508 338 HD2 PHE 46 HD2 PHE 46 7.278 -17.143 -17.542 339 HE1 PHE 46 HE1 PHE 46 6.265 -13.750 -14.127 340 HE2 PHE 46 HE2 PHE 46 7.233 -17.771 -15.164 341 HZ PHE 46 HZ PHE 46 6.726 -16.073 -13.453 342 H LEU 47 H LEU 47 7.906 -15.869 -21.187 343 HA LEU 47 HA LEU 47 9.334 -18.159 -20.222 344 1HB LEU 47 1HB LEU 47 7.918 -17.435 -22.745 345 2HB LEU 47 2HB LEU 47 9.004 -18.824 -22.736 346 HG LEU 47 HG LEU 47 6.843 -18.636 -20.681 347 1HD1 LEU 47 1HD1 LEU 47 6.409 -18.730 -23.530 348 2HD1 LEU 47 2HD1 LEU 47 5.239 -18.626 -22.216 349 3HD1 LEU 47 3HD1 LEU 47 5.828 -20.200 -22.748 350 1HD2 LEU 47 1HD2 LEU 47 8.630 -20.679 -21.843 351 2HD2 LEU 47 2HD2 LEU 47 6.988 -21.201 -21.464 352 3HD2 LEU 47 3HD2 LEU 47 8.008 -20.511 -20.201 353 H LYS 48 H LYS 48 10.157 -15.323 -21.960 354 HA LYS 48 HA LYS 48 12.548 -16.457 -23.150 355 1HB LYS 48 1HB LYS 48 11.089 -14.621 -24.187 356 2HB LYS 48 2HB LYS 48 11.834 -13.533 -23.023 357 1HG LYS 48 1HG LYS 48 13.772 -15.129 -24.498 358 2HG LYS 48 2HG LYS 48 12.779 -14.098 -25.531 359 1HD LYS 48 1HD LYS 48 13.343 -12.180 -24.043 360 2HD LYS 48 2HD LYS 48 14.453 -13.241 -23.172 361 1HE LYS 48 1HE LYS 48 14.690 -12.992 -26.136 362 2HE LYS 48 2HE LYS 48 15.312 -11.698 -25.112 363 1HZ LYS 48 1HZ LYS 48 16.819 -13.152 -24.088 364 2HZ LYS 48 2HZ LYS 48 16.924 -13.515 -25.736 365 3HZ LYS 48 3HZ LYS 48 16.057 -14.533 -24.700 366 H ALA 49 H ALA 49 11.661 -15.220 -20.160 367 HA ALA 49 HA ALA 49 14.370 -14.282 -19.537 368 1HB ALA 49 1HB ALA 49 12.654 -14.007 -17.299 369 2HB ALA 49 2HB ALA 49 13.340 -12.741 -18.319 370 3HB ALA 49 3HB ALA 49 11.777 -13.449 -18.724 371 H LYS 50 H LYS 50 15.593 -15.178 -17.890 372 HA LYS 50 HA LYS 50 14.827 -17.904 -17.141 373 1HB LYS 50 1HB LYS 50 17.363 -16.517 -17.661 374 2HB LYS 50 2HB LYS 50 17.402 -17.574 -16.256 375 1HG LYS 50 1HG LYS 50 17.131 -19.468 -17.497 376 2HG LYS 50 2HG LYS 50 16.244 -18.637 -18.777 377 1HD LYS 50 1HD LYS 50 18.343 -17.548 -19.482 378 2HD LYS 50 2HD LYS 50 19.210 -18.455 -18.240 379 1HE LYS 50 1HE LYS 50 19.564 -19.781 -20.083 380 2HE LYS 50 2HE LYS 50 18.114 -20.522 -19.408 381 1HZ LYS 50 1HZ LYS 50 16.926 -19.965 -21.190 382 2HZ LYS 50 2HZ LYS 50 18.400 -19.659 -21.961 383 3HZ LYS 50 3HZ LYS 50 17.543 -18.391 -21.242 384 H THR 51 H THR 51 15.340 -14.754 -15.823 385 HA THR 51 HA THR 51 14.564 -15.747 -13.187 386 HB THR 51 HB THR 51 16.272 -14.463 -12.024 387 HG1 THR 51 HG1 THR 51 17.626 -13.990 -14.452 388 1HG2 THR 51 1HG2 THR 51 16.788 -16.788 -12.605 389 2HG2 THR 51 2HG2 THR 51 18.242 -15.791 -12.612 390 3HG2 THR 51 3HG2 THR 51 17.483 -16.253 -14.135 391 H ARG 52 H ARG 52 14.102 -13.854 -11.680 392 HA ARG 52 HA ARG 52 12.119 -12.239 -12.764 393 1HB ARG 52 1HB ARG 52 12.045 -11.116 -10.656 394 2HB ARG 52 2HB ARG 52 12.432 -12.802 -10.338 395 1HG ARG 52 1HG ARG 52 14.844 -12.125 -10.216 396 2HG ARG 52 2HG ARG 52 14.299 -10.447 -10.282 397 1HD ARG 52 1HD ARG 52 14.608 -10.999 -7.989 398 2HD ARG 52 2HD ARG 52 12.871 -10.931 -8.280 399 HE ARG 52 HE ARG 52 13.422 -13.544 -8.624 400 1HH1 ARG 52 1HH1 ARG 52 14.198 -11.282 -6.094 401 2HH1 ARG 52 2HH1 ARG 52 14.205 -12.482 -4.844 402 1HH2 ARG 52 1HH2 ARG 52 13.429 -15.133 -6.987 403 2HH2 ARG 52 2HH2 ARG 52 13.769 -14.672 -5.354 404 H ASP 53 H ASP 53 15.545 -11.777 -12.641 405 HA ASP 53 HA ASP 53 15.498 -8.944 -13.083 406 1HB ASP 53 1HB ASP 53 17.404 -10.186 -12.016 407 2HB ASP 53 2HB ASP 53 17.775 -10.864 -13.599 408 H GLU 54 H GLU 54 16.335 -11.731 -15.146 409 HA GLU 54 HA GLU 54 16.778 -10.403 -17.517 410 1HB GLU 54 1HB GLU 54 17.119 -12.843 -17.119 411 2HB GLU 54 2HB GLU 54 15.380 -13.068 -17.244 412 1HG GLU 54 1HG GLU 54 15.357 -12.545 -19.519 413 2HG GLU 54 2HG GLU 54 16.956 -11.806 -19.456 414 H TYR 55 H TYR 55 13.716 -11.311 -16.043 415 HA TYR 55 HA TYR 55 12.124 -10.567 -18.304 416 1HB TYR 55 1HB TYR 55 11.209 -12.197 -16.819 417 2HB TYR 55 2HB TYR 55 11.448 -11.155 -15.421 418 HD1 TYR 55 HD1 TYR 55 9.748 -9.706 -14.712 419 HD2 TYR 55 HD2 TYR 55 9.516 -11.459 -18.582 420 HE1 TYR 55 HE1 TYR 55 7.460 -8.838 -14.961 421 HE2 TYR 55 HE2 TYR 55 7.229 -10.595 -18.843 422 HH TYR 55 HH TYR 55 5.900 -8.556 -17.789 423 H LEU 56 H LEU 56 12.400 -9.146 -15.040 424 HA LEU 56 HA LEU 56 10.992 -6.826 -15.462 425 1HB LEU 56 1HB LEU 56 13.290 -7.528 -13.696 426 2HB LEU 56 2HB LEU 56 12.750 -5.852 -13.776 427 HG LEU 56 HG LEU 56 10.722 -7.957 -13.217 428 1HD1 LEU 56 1HD1 LEU 56 13.028 -7.323 -11.497 429 2HD1 LEU 56 2HD1 LEU 56 12.005 -8.758 -11.547 430 3HD1 LEU 56 3HD1 LEU 56 11.449 -7.308 -10.711 431 1HD2 LEU 56 1HD2 LEU 56 10.969 -5.092 -13.085 432 2HD2 LEU 56 2HD2 LEU 56 10.496 -5.749 -11.518 433 3HD2 LEU 56 3HD2 LEU 56 9.529 -6.102 -12.951 434 H SER 57 H SER 57 14.253 -7.602 -16.459 435 HA SER 57 HA SER 57 15.008 -4.944 -17.159 436 1HB SER 57 1HB SER 57 16.464 -7.115 -16.754 437 2HB SER 57 2HB SER 57 16.245 -7.318 -18.493 438 HG SER 57 HG SER 57 17.021 -5.082 -18.648 439 H LEU 58 H LEU 58 14.128 -7.769 -19.153 440 HA LEU 58 HA LEU 58 14.089 -6.457 -21.612 441 1HB LEU 58 1HB LEU 58 12.792 -8.919 -20.540 442 2HB LEU 58 2HB LEU 58 12.318 -8.322 -22.129 443 HG LEU 58 HG LEU 58 15.220 -8.651 -21.659 444 1HD1 LEU 58 1HD1 LEU 58 15.300 -10.916 -21.559 445 2HD1 LEU 58 2HD1 LEU 58 13.758 -11.121 -22.391 446 3HD1 LEU 58 3HD1 LEU 58 13.787 -10.670 -20.686 447 1HD2 LEU 58 1HD2 LEU 58 15.196 -9.327 -23.955 448 2HD2 LEU 58 2HD2 LEU 58 14.193 -7.886 -23.796 449 3HD2 LEU 58 3HD2 LEU 58 13.439 -9.474 -23.946 450 H VAL 59 H VAL 59 11.470 -6.988 -19.278 451 HA VAL 59 HA VAL 59 9.367 -5.899 -20.739 452 HB VAL 59 HB VAL 59 9.746 -5.700 -17.748 453 1HG1 VAL 59 1HG1 VAL 59 7.412 -5.337 -19.579 454 2HG1 VAL 59 2HG1 VAL 59 7.161 -5.916 -17.931 455 3HG1 VAL 59 3HG1 VAL 59 7.927 -4.352 -18.210 456 1HG2 VAL 59 1HG2 VAL 59 9.485 -7.900 -17.610 457 2HG2 VAL 59 2HG2 VAL 59 7.999 -7.813 -18.556 458 3HG2 VAL 59 3HG2 VAL 59 9.553 -8.000 -19.369 459 H ALA 60 H ALA 60 11.313 -4.251 -18.239 460 HA ALA 60 HA ALA 60 10.289 -1.710 -18.508 461 1HB ALA 60 1HB ALA 60 11.717 -1.843 -16.737 462 2HB ALA 60 2HB ALA 60 12.909 -2.794 -17.624 463 3HB ALA 60 3HB ALA 60 12.781 -1.057 -17.903 464 H ARG 61 H ARG 61 13.155 -3.011 -20.191 465 HA ARG 61 HA ARG 61 13.787 -0.831 -21.745 466 1HB ARG 61 1HB ARG 61 14.980 -3.099 -21.547 467 2HB ARG 61 2HB ARG 61 13.902 -3.637 -22.828 468 1HG ARG 61 1HG ARG 61 14.761 -1.864 -24.285 469 2HG ARG 61 2HG ARG 61 15.858 -1.354 -23.000 470 1HD ARG 61 1HD ARG 61 16.765 -3.723 -23.034 471 2HD ARG 61 2HD ARG 61 15.858 -3.944 -24.529 472 HE ARG 61 HE ARG 61 17.450 -2.725 -25.624 473 1HH1 ARG 61 1HH1 ARG 61 17.729 -2.131 -22.205 474 2HH1 ARG 61 2HH1 ARG 61 19.187 -1.207 -22.352 475 1HH2 ARG 61 1HH2 ARG 61 19.370 -1.510 -25.830 476 2HH2 ARG 61 2HH2 ARG 61 20.119 -0.854 -24.414 477 H LEU 62 H LEU 62 11.407 -3.368 -22.418 478 HA LEU 62 HA LEU 62 10.692 -2.538 -24.998 479 1HB LEU 62 1HB LEU 62 10.062 -4.702 -24.114 480 2HB LEU 62 2HB LEU 62 9.055 -3.935 -22.887 481 HG LEU 62 HG LEU 62 8.287 -3.185 -25.593 482 1HD1 LEU 62 1HD1 LEU 62 8.383 -6.087 -24.829 483 2HD1 LEU 62 2HD1 LEU 62 8.934 -5.319 -26.318 484 3HD1 LEU 62 3HD1 LEU 62 7.208 -5.458 -25.984 485 1HD2 LEU 62 1HD2 LEU 62 6.861 -4.431 -23.246 486 2HD2 LEU 62 2HD2 LEU 62 6.074 -3.876 -24.724 487 3HD2 LEU 62 3HD2 LEU 62 6.902 -2.722 -23.678 488 H ILE 63 H ILE 63 9.039 -1.886 -21.904 489 HA ILE 63 HA ILE 63 7.098 -0.153 -22.887 490 HB ILE 63 HB ILE 63 8.400 -0.358 -20.185 491 1HG1 ILE 63 1HG1 ILE 63 5.580 -0.937 -21.112 492 2HG1 ILE 63 2HG1 ILE 63 6.849 -2.149 -20.976 493 1HG2 ILE 63 1HG2 ILE 63 6.639 1.763 -21.228 494 2HG2 ILE 63 2HG2 ILE 63 6.196 1.092 -19.659 495 3HG2 ILE 63 3HG2 ILE 63 7.795 1.797 -19.896 496 1HD1 ILE 63 1HD1 ILE 63 6.112 -2.489 -18.914 497 2HD1 ILE 63 2HD1 ILE 63 6.835 -0.935 -18.500 498 3HD1 ILE 63 3HD1 ILE 63 5.130 -1.025 -18.942 499 H ILE 64 H ILE 64 10.280 0.638 -21.496 500 HA ILE 64 HA ILE 64 10.159 3.398 -21.711 501 HB ILE 64 HB ILE 64 12.535 1.558 -21.973 502 1HG1 ILE 64 1HG1 ILE 64 12.262 3.325 -19.642 503 2HG1 ILE 64 2HG1 ILE 64 10.971 2.137 -19.792 504 1HG2 ILE 64 1HG2 ILE 64 13.632 3.884 -21.207 505 2HG2 ILE 64 2HG2 ILE 64 13.517 3.374 -22.890 506 3HG2 ILE 64 3HG2 ILE 64 12.326 4.491 -22.225 507 1HD1 ILE 64 1HD1 ILE 64 13.838 1.765 -19.200 508 2HD1 ILE 64 2HD1 ILE 64 12.426 0.903 -18.589 509 3HD1 ILE 64 3HD1 ILE 64 13.059 0.533 -20.193 510 H HIS 65 H HIS 65 11.230 1.024 -24.121 511 HA HIS 65 HA HIS 65 12.058 2.827 -26.093 512 1HB HIS 65 1HB HIS 65 12.020 0.109 -25.863 513 2HB HIS 65 2HB HIS 65 10.768 0.365 -27.074 514 HD1 HIS 65 HD1 HIS 65 14.156 -0.410 -26.967 515 HD2 HIS 65 HD2 HIS 65 11.969 2.400 -29.107 516 HE1 HIS 65 HE1 HIS 65 15.584 0.186 -28.949 517 H PHE 66 H PHE 66 8.876 1.559 -25.302 518 HA PHE 66 HA PHE 66 7.538 2.503 -27.607 519 1HB PHE 66 1HB PHE 66 6.708 1.541 -24.909 520 2HB PHE 66 2HB PHE 66 5.525 2.417 -25.874 521 HD1 PHE 66 HD1 PHE 66 5.237 1.579 -28.329 522 HD2 PHE 66 HD2 PHE 66 6.922 -0.734 -25.179 523 HE1 PHE 66 HE1 PHE 66 4.728 -0.481 -29.574 524 HE2 PHE 66 HE2 PHE 66 6.416 -2.798 -26.419 525 HZ PHE 66 HZ PHE 66 5.318 -2.673 -28.620 526 H ARG 67 H ARG 67 8.014 3.890 -24.379 527 HA ARG 67 HA ARG 67 6.456 6.197 -24.753 528 1HB ARG 67 1HB ARG 67 8.830 5.674 -22.960 529 2HB ARG 67 2HB ARG 67 7.863 7.142 -22.889 530 1HG ARG 67 1HG ARG 67 6.176 6.133 -21.807 531 2HG ARG 67 2HG ARG 67 6.332 4.643 -22.739 532 1HD ARG 67 1HD ARG 67 7.137 3.787 -20.827 533 2HD ARG 67 2HD ARG 67 8.628 4.609 -21.286 534 HE ARG 67 HE ARG 67 6.870 6.297 -19.796 535 1HH1 ARG 67 1HH1 ARG 67 9.251 3.772 -19.525 536 2HH1 ARG 67 2HH1 ARG 67 9.721 4.208 -17.916 537 1HH2 ARG 67 1HH2 ARG 67 7.480 6.881 -17.677 538 2HH2 ARG 67 2HH2 ARG 67 8.712 5.976 -16.865 539 H ASP 68 H ASP 68 9.783 5.450 -25.577 540 HA ASP 68 HA ASP 68 10.553 8.117 -26.208 541 1HB ASP 68 1HB ASP 68 12.212 6.396 -25.678 542 2HB ASP 68 2HB ASP 68 11.737 5.481 -27.106 543 H ILE 69 H ILE 69 9.571 5.340 -28.202 544 HA ILE 69 HA ILE 69 9.799 6.464 -30.709 545 HB ILE 69 HB ILE 69 7.651 4.568 -29.755 546 1HG1 ILE 69 1HG1 ILE 69 9.994 3.690 -31.363 547 2HG1 ILE 69 2HG1 ILE 69 10.283 4.086 -29.672 548 1HG2 ILE 69 1HG2 ILE 69 6.928 5.500 -31.817 549 2HG2 ILE 69 2HG2 ILE 69 8.537 5.348 -32.522 550 3HG2 ILE 69 3HG2 ILE 69 7.586 3.904 -32.178 551 1HD1 ILE 69 1HD1 ILE 69 9.718 1.977 -29.264 552 2HD1 ILE 69 2HD1 ILE 69 8.056 2.495 -29.549 553 3HD1 ILE 69 3HD1 ILE 69 8.991 1.771 -30.857 554 H HIS 70 H HIS 70 7.032 6.635 -28.489 555 HA HIS 70 HA HIS 70 5.510 8.307 -30.265 556 1HB HIS 70 1HB HIS 70 4.276 6.854 -28.815 557 2HB HIS 70 2HB HIS 70 5.109 7.470 -27.391 558 HD1 HIS 70 HD1 HIS 70 3.908 9.237 -26.138 559 HD2 HIS 70 HD2 HIS 70 2.590 8.953 -30.068 560 HE1 HIS 70 HE1 HIS 70 1.979 10.841 -26.318 561 H ASN 71 H ASN 71 7.798 8.781 -27.709 562 HA ASN 71 HA ASN 71 7.109 11.401 -26.947 563 1HB ASN 71 1HB ASN 71 8.592 10.189 -25.534 564 2HB ASN 71 2HB ASN 71 9.714 9.881 -26.857 565 1HD2 ASN 71 1HD2 ASN 71 8.105 12.863 -25.843 566 2HD2 ASN 71 2HD2 ASN 71 9.556 13.753 -25.553 567 H LYS 72 H LYS 72 9.175 10.147 -29.514 568 HA LYS 72 HA LYS 72 9.962 11.112 -31.422 569 1HB LYS 72 1HB LYS 72 7.667 12.686 -30.732 570 2HB LYS 72 2HB LYS 72 8.921 13.747 -31.361 571 1HG LYS 72 1HG LYS 72 8.917 12.742 -33.438 572 2HG LYS 72 2HG LYS 72 8.223 11.240 -32.824 573 1HD LYS 72 1HD LYS 72 6.550 13.650 -32.517 574 2HD LYS 72 2HD LYS 72 6.818 13.106 -34.175 575 1HE LYS 72 1HE LYS 72 6.206 10.764 -33.198 576 2HE LYS 72 2HE LYS 72 5.459 11.708 -31.910 577 1HZ LYS 72 1HZ LYS 72 4.803 11.752 -34.799 578 2HZ LYS 72 2HZ LYS 72 4.243 12.923 -33.715 579 3HZ LYS 72 3HZ LYS 72 3.798 11.303 -33.515 580 H LYS 73 H LYS 73 9.610 14.036 -29.433 581 HA LYS 73 HA LYS 73 11.127 15.529 -28.633 582 1HB LYS 73 1HB LYS 73 12.004 13.154 -27.745 583 2HB LYS 73 2HB LYS 73 13.376 13.592 -28.754 584 1HG LYS 73 1HG LYS 73 13.713 15.618 -27.509 585 2HG LYS 73 2HG LYS 73 12.243 15.334 -26.575 586 1HD LYS 73 1HD LYS 73 13.783 14.524 -25.098 587 2HD LYS 73 2HD LYS 73 13.477 13.053 -26.025 588 1HE LYS 73 1HE LYS 73 15.460 13.318 -27.280 589 2HE LYS 73 2HE LYS 73 15.673 14.981 -26.736 590 1HZ LYS 73 1HZ LYS 73 16.244 14.246 -24.577 591 2HZ LYS 73 2HZ LYS 73 17.149 13.304 -25.650 592 3HZ LYS 73 3HZ LYS 73 15.778 12.653 -24.903 593 H SER 74 H SER 74 10.699 15.693 -31.310 594 HA SER 74 HA SER 74 12.958 15.528 -32.961 595 1HB SER 74 1HB SER 74 10.590 17.406 -33.150 596 2HB SER 74 2HB SER 74 11.750 17.103 -34.443 597 HG SER 74 HG SER 74 9.689 15.840 -34.394 598 H GLN 75 H GLN 75 14.417 17.112 -33.689 599 HA GLN 75 HA GLN 75 15.555 18.729 -31.727 600 1HB GLN 75 1HB GLN 75 16.797 19.790 -33.646 601 2HB GLN 75 2HB GLN 75 16.905 18.037 -33.561 602 1HG GLN 75 1HG GLN 75 16.163 17.881 -35.633 603 2HG GLN 75 2HG GLN 75 14.668 18.693 -35.170 604 1HE2 GLN 75 1HE2 GLN 75 17.649 18.947 -36.815 605 2HE2 GLN 75 2HE2 GLN 75 17.468 20.573 -37.370 606 H ALA 76 H ALA 76 15.962 21.157 -32.083 607 HA ALA 76 HA ALA 76 15.124 23.269 -31.941 608 1HB ALA 76 1HB ALA 76 13.801 24.053 -33.772 609 2HB ALA 76 2HB ALA 76 14.962 22.883 -34.399 610 3HB ALA 76 3HB ALA 76 13.278 22.414 -34.163 611 H SER 77 H SER 77 14.240 22.869 -29.847 612 HA SER 77 HA SER 77 12.602 22.929 -28.270 613 1HB SER 77 1HB SER 77 10.672 23.681 -30.463 614 2HB SER 77 2HB SER 77 10.615 24.130 -28.758 615 HG SER 77 HG SER 77 12.485 25.394 -29.109 616 H VAL 78 H VAL 78 10.145 22.147 -27.939 617 HA VAL 78 HA VAL 78 9.994 19.445 -29.112 618 HB VAL 78 HB VAL 78 10.559 19.320 -26.749 619 1HG1 VAL 78 1HG1 VAL 78 9.603 21.508 -26.103 620 2HG1 VAL 78 2HG1 VAL 78 7.988 20.807 -26.223 621 3HG1 VAL 78 3HG1 VAL 78 9.127 20.201 -25.019 622 1HG2 VAL 78 1HG2 VAL 78 8.745 17.880 -25.998 623 2HG2 VAL 78 2HG2 VAL 78 7.682 18.549 -27.237 624 3HG2 VAL 78 3HG2 VAL 78 9.094 17.601 -27.704 Start of MODEL 8 1 1H GLY 2 HT1 GLY 2 -2.998 -4.126 -5.205 2 1HA GLY 2 1HA GLY 2 -1.226 -5.242 -4.246 3 2HA GLY 2 2HA GLY 2 -0.261 -4.804 -5.648 4 H ALA 3 H ALA 3 -0.810 -1.925 -5.253 5 HA ALA 3 HA ALA 3 0.268 -0.148 -4.320 6 1HB ALA 3 1HB ALA 3 -1.332 -0.953 -2.477 7 2HB ALA 3 2HB ALA 3 0.120 -1.566 -1.684 8 3HB ALA 3 3HB ALA 3 -0.034 0.156 -2.031 9 H MET 4 H MET 4 2.248 -0.630 -5.413 10 HA MET 4 HA MET 4 4.495 -0.956 -5.541 11 1HB MET 4 1HB MET 4 4.258 -0.604 -2.549 12 2HB MET 4 2HB MET 4 5.786 -0.655 -3.417 13 1HG MET 4 1HG MET 4 5.632 1.532 -3.684 14 2HG MET 4 2HG MET 4 4.256 1.254 -4.749 15 1HE MET 4 1HE MET 4 3.296 3.189 -4.587 16 2HE MET 4 2HE MET 4 1.747 2.846 -3.818 17 3HE MET 4 3HE MET 4 2.791 4.113 -3.172 18 H GLY 5 H GLY 5 6.375 -2.336 -4.354 19 1HA GLY 5 1HA GLY 5 5.801 -4.713 -3.047 20 2HA GLY 5 2HA GLY 5 5.622 -5.046 -4.763 21 H GLN 6 H GLN 6 7.516 -6.332 -3.172 22 HA GLN 6 HA GLN 6 9.857 -5.940 -4.698 23 1HB GLN 6 1HB GLN 6 9.634 -4.391 -2.246 24 2HB GLN 6 2HB GLN 6 11.034 -5.455 -2.227 25 1HG GLN 6 1HG GLN 6 12.148 -4.122 -3.595 26 2HG GLN 6 2HG GLN 6 10.827 -4.127 -4.763 27 1HE2 GLN 6 1HE2 GLN 6 10.354 -2.121 -5.284 28 2HE2 GLN 6 2HE2 GLN 6 10.198 -0.793 -4.191 29 H GLU 7 H GLU 7 10.116 -8.074 -4.984 30 HA GLU 7 HA GLU 7 11.035 -9.663 -2.772 31 1HB GLU 7 1HB GLU 7 8.304 -9.728 -3.267 32 2HB GLU 7 2HB GLU 7 8.912 -11.152 -4.099 33 1HG GLU 7 1HG GLU 7 9.734 -12.099 -2.134 34 2HG GLU 7 2HG GLU 7 9.671 -10.568 -1.263 35 H THR 8 H THR 8 11.327 -12.050 -3.620 36 HA THR 8 HA THR 8 12.734 -11.797 -6.173 37 HB THR 8 HB THR 8 13.006 -14.342 -4.740 38 HG1 THR 8 HG1 THR 8 13.010 -13.257 -2.861 39 1HG2 THR 8 1HG2 THR 8 15.223 -12.429 -5.335 40 2HG2 THR 8 2HG2 THR 8 14.396 -13.236 -6.668 41 3HG2 THR 8 3HG2 THR 8 15.205 -14.190 -5.425 42 H ASP 9 H ASP 9 9.788 -12.136 -5.916 43 HA ASP 9 HA ASP 9 9.534 -14.645 -7.442 44 1HB ASP 9 1HB ASP 9 7.269 -13.399 -5.900 45 2HB ASP 9 2HB ASP 9 7.407 -15.046 -6.509 46 H TRP 10 H TRP 10 10.161 -13.043 -9.190 47 HA TRP 10 HA TRP 10 8.296 -11.062 -10.008 48 1HB TRP 10 1HB TRP 10 9.635 -10.839 -11.979 49 2HB TRP 10 2HB TRP 10 10.734 -11.137 -10.635 50 HD1 TRP 10 HD1 TRP 10 11.395 -13.929 -10.403 51 HE1 TRP 10 HE1 TRP 10 12.109 -15.488 -12.322 52 HE3 TRP 10 HE3 TRP 10 9.504 -11.280 -14.346 53 HZ2 TRP 10 HZ2 TRP 10 11.899 -15.582 -15.135 54 HZ3 TRP 10 HZ3 TRP 10 9.804 -12.174 -16.618 55 HH2 TRP 10 HH2 TRP 10 10.977 -14.280 -17.003 56 H ARG 11 H ARG 11 8.209 -14.420 -10.144 57 HA ARG 11 HA ARG 11 6.698 -14.631 -12.599 58 1HB ARG 11 1HB ARG 11 7.170 -16.702 -10.447 59 2HB ARG 11 2HB ARG 11 6.534 -17.003 -12.059 60 1HG ARG 11 1HG ARG 11 8.700 -16.138 -12.974 61 2HG ARG 11 2HG ARG 11 9.310 -16.120 -11.318 62 1HD ARG 11 1HD ARG 11 10.025 -18.170 -12.220 63 2HD ARG 11 2HD ARG 11 8.639 -18.567 -11.206 64 HE ARG 11 HE ARG 11 7.667 -18.153 -13.768 65 1HH1 ARG 11 1HH1 ARG 11 9.845 -20.338 -12.155 66 2HH1 ARG 11 2HH1 ARG 11 9.525 -21.658 -13.231 67 1HH2 ARG 11 1HH2 ARG 11 7.237 -19.883 -15.191 68 2HH2 ARG 11 2HH2 ARG 11 8.042 -21.398 -14.958 69 H SER 12 H SER 12 6.024 -13.785 -9.416 70 HA SER 12 HA SER 12 3.560 -14.951 -8.889 71 1HB SER 12 1HB SER 12 4.578 -13.724 -7.136 72 2HB SER 12 2HB SER 12 4.712 -12.270 -8.125 73 HG SER 12 HG SER 12 2.982 -11.986 -6.769 74 H THR 13 H THR 13 1.447 -14.430 -9.347 75 HA THR 13 HA THR 13 0.804 -13.475 -11.858 76 HB THR 13 HB THR 13 -1.139 -13.169 -9.590 77 HG1 THR 13 HG1 THR 13 -1.469 -15.398 -9.630 78 1HG2 THR 13 1HG2 THR 13 -1.343 -14.032 -12.474 79 2HG2 THR 13 2HG2 THR 13 -1.981 -12.557 -11.746 80 3HG2 THR 13 3HG2 THR 13 -2.678 -14.121 -11.326 81 H ALA 14 H ALA 14 0.631 -11.737 -8.758 82 HA ALA 14 HA ALA 14 -0.379 -9.324 -9.666 83 1HB ALA 14 1HB ALA 14 -0.201 -8.870 -7.504 84 2HB ALA 14 2HB ALA 14 0.802 -10.303 -7.279 85 3HB ALA 14 3HB ALA 14 1.551 -8.754 -7.666 86 H PHE 15 H PHE 15 3.037 -10.283 -9.352 87 HA PHE 15 HA PHE 15 4.235 -7.956 -10.226 88 1HB PHE 15 1HB PHE 15 5.215 -10.287 -9.426 89 2HB PHE 15 2HB PHE 15 5.368 -10.554 -11.159 90 HD1 PHE 15 HD1 PHE 15 6.552 -8.662 -12.496 91 HD2 PHE 15 HD2 PHE 15 6.904 -9.209 -8.289 92 HE1 PHE 15 HE1 PHE 15 8.653 -7.382 -12.508 93 HE2 PHE 15 HE2 PHE 15 9.004 -7.928 -8.295 94 HZ PHE 15 HZ PHE 15 9.882 -7.012 -10.406 95 H ARG 16 H ARG 16 3.791 -10.813 -12.315 96 HA ARG 16 HA ARG 16 4.301 -9.551 -14.727 97 1HB ARG 16 1HB ARG 16 4.069 -12.033 -14.306 98 2HB ARG 16 2HB ARG 16 2.327 -11.805 -14.366 99 1HG ARG 16 1HG ARG 16 2.479 -11.023 -16.655 100 2HG ARG 16 2HG ARG 16 4.238 -11.161 -16.602 101 1HD ARG 16 1HD ARG 16 3.956 -13.221 -17.411 102 2HD ARG 16 2HD ARG 16 3.388 -13.653 -15.799 103 HE ARG 16 HE ARG 16 1.321 -12.596 -17.485 104 1HH1 ARG 16 1HH1 ARG 16 3.090 -15.461 -16.599 105 2HH1 ARG 16 2HH1 ARG 16 1.832 -16.547 -17.089 106 1HH2 ARG 16 1HH2 ARG 16 -0.342 -14.015 -18.133 107 2HH2 ARG 16 2HH2 ARG 16 -0.120 -15.723 -17.962 108 H GLN 17 H GLN 17 1.180 -10.039 -13.103 109 HA GLN 17 HA GLN 17 -0.519 -9.001 -15.009 110 1HB GLN 17 1HB GLN 17 -1.245 -10.060 -12.893 111 2HB GLN 17 2HB GLN 17 -0.740 -8.621 -12.018 112 1HG GLN 17 1HG GLN 17 -2.760 -8.484 -14.225 113 2HG GLN 17 2HG GLN 17 -3.217 -8.887 -12.571 114 1HE2 GLN 17 1HE2 GLN 17 -2.504 -7.325 -10.896 115 2HE2 GLN 17 2HE2 GLN 17 -2.554 -5.644 -11.291 116 H LYS 18 H LYS 18 0.858 -7.169 -12.272 117 HA LYS 18 HA LYS 18 -0.015 -4.653 -12.983 118 1HB LYS 18 1HB LYS 18 2.181 -5.732 -11.341 119 2HB LYS 18 2HB LYS 18 2.428 -4.088 -11.914 120 1HG LYS 18 1HG LYS 18 0.476 -3.315 -10.828 121 2HG LYS 18 2HG LYS 18 -0.077 -4.959 -10.501 122 1HD LYS 18 1HD LYS 18 0.803 -4.475 -8.458 123 2HD LYS 18 2HD LYS 18 2.266 -5.073 -9.243 124 1HE LYS 18 1HE LYS 18 1.576 -2.174 -9.426 125 2HE LYS 18 2HE LYS 18 2.286 -2.802 -7.940 126 1HZ LYS 18 1HZ LYS 18 4.064 -2.068 -9.268 127 2HZ LYS 18 2HZ LYS 18 3.459 -2.814 -10.659 128 3HZ LYS 18 3HZ LYS 18 4.081 -3.755 -9.398 129 H LEU 19 H LEU 19 3.032 -6.227 -13.926 130 HA LEU 19 HA LEU 19 4.078 -4.142 -15.455 131 1HB LEU 19 1HB LEU 19 4.440 -7.103 -15.444 132 2HB LEU 19 2HB LEU 19 5.162 -6.150 -16.739 133 HG LEU 19 HG LEU 19 6.460 -6.783 -14.491 134 1HD1 LEU 19 1HD1 LEU 19 6.716 -4.153 -15.942 135 2HD1 LEU 19 2HD1 LEU 19 7.402 -5.690 -16.465 136 3HD1 LEU 19 3HD1 LEU 19 7.966 -4.934 -14.975 137 1HD2 LEU 19 1HD2 LEU 19 5.302 -4.063 -13.898 138 2HD2 LEU 19 2HD2 LEU 19 6.464 -4.964 -12.923 139 3HD2 LEU 19 3HD2 LEU 19 4.810 -5.556 -13.097 140 H VAL 20 H VAL 20 1.990 -6.845 -16.419 141 HA VAL 20 HA VAL 20 1.893 -6.436 -19.146 142 HB VAL 20 HB VAL 20 -0.152 -7.471 -17.209 143 1HG1 VAL 20 1HG1 VAL 20 -0.506 -7.040 -20.167 144 2HG1 VAL 20 2HG1 VAL 20 -1.474 -8.183 -19.234 145 3HG1 VAL 20 3HG1 VAL 20 -1.531 -6.461 -18.854 146 1HG2 VAL 20 1HG2 VAL 20 1.712 -8.622 -19.243 147 2HG2 VAL 20 2HG2 VAL 20 1.477 -9.078 -17.556 148 3HG2 VAL 20 3HG2 VAL 20 0.268 -9.514 -18.764 149 H SER 21 H SER 21 -0.062 -4.885 -16.625 150 HA SER 21 HA SER 21 -1.722 -3.395 -18.329 151 1HB SER 21 1HB SER 21 -2.359 -3.612 -16.038 152 2HB SER 21 2HB SER 21 -0.831 -2.930 -15.480 153 HG SER 21 HG SER 21 -1.476 -0.941 -16.103 154 H GLN 22 H GLN 22 1.343 -2.545 -16.749 155 HA GLN 22 HA GLN 22 1.542 0.098 -17.544 156 1HB GLN 22 1HB GLN 22 3.818 -1.880 -17.338 157 2HB GLN 22 2HB GLN 22 3.948 -0.129 -17.244 158 1HG GLN 22 1HG GLN 22 2.907 -2.064 -15.238 159 2HG GLN 22 2HG GLN 22 4.027 -0.719 -15.032 160 1HE2 GLN 22 1HE2 GLN 22 1.207 -1.684 -14.013 161 2HE2 GLN 22 2HE2 GLN 22 0.333 -0.197 -13.922 162 H ILE 23 H ILE 23 2.706 -2.795 -19.257 163 HA ILE 23 HA ILE 23 3.765 -1.464 -21.486 164 HB ILE 23 HB ILE 23 2.628 -4.254 -21.281 165 1HG1 ILE 23 1HG1 ILE 23 5.484 -4.069 -21.599 166 2HG1 ILE 23 2HG1 ILE 23 4.973 -3.089 -20.229 167 1HG2 ILE 23 1HG2 ILE 23 4.050 -4.668 -23.319 168 2HG2 ILE 23 2HG2 ILE 23 2.606 -3.692 -23.583 169 3HG2 ILE 23 3HG2 ILE 23 4.186 -2.917 -23.480 170 1HD1 ILE 23 1HD1 ILE 23 5.271 -5.916 -20.411 171 2HD1 ILE 23 2HD1 ILE 23 4.889 -4.923 -19.004 172 3HD1 ILE 23 3HD1 ILE 23 3.593 -5.530 -20.034 173 H GLU 24 H GLU 24 0.507 -2.569 -20.756 174 HA GLU 24 HA GLU 24 -0.535 -2.107 -23.372 175 1HB GLU 24 1HB GLU 24 -1.441 -3.430 -21.164 176 2HB GLU 24 2HB GLU 24 -2.420 -1.971 -21.115 177 1HG GLU 24 1HG GLU 24 -2.270 -3.171 -23.765 178 2HG GLU 24 2HG GLU 24 -2.980 -4.231 -22.549 179 H ASP 25 H ASP 25 -0.239 -0.200 -20.444 180 HA ASP 25 HA ASP 25 -1.925 1.932 -21.303 181 1HB ASP 25 1HB ASP 25 -1.177 1.336 -18.903 182 2HB ASP 25 2HB ASP 25 0.291 2.228 -19.291 183 H ALA 26 H ALA 26 1.594 1.458 -21.246 184 HA ALA 26 HA ALA 26 2.312 3.960 -22.283 185 1HB ALA 26 1HB ALA 26 3.781 1.352 -22.643 186 2HB ALA 26 2HB ALA 26 4.460 2.974 -22.774 187 3HB ALA 26 3HB ALA 26 3.883 2.383 -21.216 188 H MET 27 H MET 27 1.627 0.885 -23.916 189 HA MET 27 HA MET 27 2.241 1.724 -26.524 190 1HB MET 27 1HB MET 27 1.200 -0.599 -25.283 191 2HB MET 27 2HB MET 27 0.078 -0.158 -26.563 192 1HG MET 27 1HG MET 27 2.372 0.094 -27.905 193 2HG MET 27 2HG MET 27 2.864 -1.118 -26.724 194 1HE MET 27 1HE MET 27 0.947 -2.682 -25.965 195 2HE MET 27 2HE MET 27 -0.472 -3.057 -26.943 196 3HE MET 27 3HE MET 27 0.984 -4.042 -27.088 197 H ARG 28 H ARG 28 -0.840 1.708 -24.755 198 HA ARG 28 HA ARG 28 -2.533 2.580 -26.751 199 1HB ARG 28 1HB ARG 28 -3.461 1.917 -24.661 200 2HB ARG 28 2HB ARG 28 -2.542 3.136 -23.788 201 1HG ARG 28 1HG ARG 28 -4.102 4.687 -24.112 202 2HG ARG 28 2HG ARG 28 -4.257 4.290 -25.825 203 1HD ARG 28 1HD ARG 28 -5.762 2.493 -25.338 204 2HD ARG 28 2HD ARG 28 -5.479 2.661 -23.605 205 HE ARG 28 HE ARG 28 -6.452 5.097 -24.517 206 1HH1 ARG 28 1HH1 ARG 28 -7.540 1.800 -24.258 207 2HH1 ARG 28 2HH1 ARG 28 -9.210 2.228 -24.084 208 1HH2 ARG 28 1HH2 ARG 28 -8.647 5.673 -24.290 209 2HH2 ARG 28 2HH2 ARG 28 -9.839 4.431 -24.104 210 H LYS 29 H LYS 29 -0.863 4.647 -24.369 211 HA LYS 29 HA LYS 29 -1.584 7.072 -25.657 212 1HB LYS 29 1HB LYS 29 -0.138 6.268 -23.297 213 2HB LYS 29 2HB LYS 29 0.748 7.528 -24.145 214 1HG LYS 29 1HG LYS 29 -0.881 9.099 -23.805 215 2HG LYS 29 2HG LYS 29 -2.168 7.897 -23.689 216 1HD LYS 29 1HD LYS 29 -0.984 7.161 -21.520 217 2HD LYS 29 2HD LYS 29 -0.159 8.718 -21.617 218 1HE LYS 29 1HE LYS 29 -1.924 9.677 -20.670 219 2HE LYS 29 2HE LYS 29 -2.897 9.216 -22.066 220 1HZ LYS 29 1HZ LYS 29 -3.403 7.123 -20.992 221 2HZ LYS 29 2HZ LYS 29 -3.849 8.410 -19.990 222 3HZ LYS 29 3HZ LYS 29 -2.440 7.532 -19.662 223 H ALA 30 H ALA 30 0.984 4.799 -26.101 224 HA ALA 30 HA ALA 30 2.845 6.496 -27.393 225 1HB ALA 30 1HB ALA 30 3.827 4.387 -28.251 226 2HB ALA 30 2HB ALA 30 3.559 4.378 -26.507 227 3HB ALA 30 3HB ALA 30 2.453 3.513 -27.574 228 H GLY 31 H GLY 31 -0.030 4.850 -28.466 229 1HA GLY 31 1HA GLY 31 -1.222 5.092 -30.423 230 2HA GLY 31 2HA GLY 31 -0.076 6.333 -30.907 231 H VAL 32 H VAL 32 -0.426 2.812 -30.611 232 HA VAL 32 HA VAL 32 0.949 2.520 -33.174 233 HB VAL 32 HB VAL 32 2.367 0.704 -32.353 234 1HG1 VAL 32 1HG1 VAL 32 2.974 2.948 -30.493 235 2HG1 VAL 32 2HG1 VAL 32 4.043 2.060 -31.580 236 3HG1 VAL 32 3HG1 VAL 32 2.937 3.273 -32.226 237 1HG2 VAL 32 1HG2 VAL 32 2.188 1.275 -29.528 238 2HG2 VAL 32 2HG2 VAL 32 0.642 0.713 -30.164 239 3HG2 VAL 32 3HG2 VAL 32 2.091 -0.272 -30.370 240 H ALA 33 H ALA 33 0.998 -0.041 -33.622 241 HA ALA 33 HA ALA 33 -1.072 -1.645 -32.621 242 1HB ALA 33 1HB ALA 33 -2.520 -1.528 -34.752 243 2HB ALA 33 2HB ALA 33 -2.719 -0.277 -33.525 244 3HB ALA 33 3HB ALA 33 -1.782 0.057 -34.981 245 H HIS 34 H HIS 34 0.806 -3.006 -32.795 246 HA HIS 34 HA HIS 34 0.843 -4.477 -35.278 247 1HB HIS 34 1HB HIS 34 3.176 -2.828 -34.368 248 2HB HIS 34 2HB HIS 34 3.458 -4.338 -35.229 249 HD1 HIS 34 HD1 HIS 34 2.604 -0.817 -35.748 250 HD2 HIS 34 HD2 HIS 34 2.352 -4.356 -37.909 251 HE1 HIS 34 HE1 HIS 34 2.242 -0.121 -38.137 252 H SER 35 H SER 35 2.739 -6.233 -35.022 253 HA SER 35 HA SER 35 3.522 -8.052 -33.895 254 1HB SER 35 1HB SER 35 3.562 -5.950 -31.935 255 2HB SER 35 2HB SER 35 3.086 -7.462 -31.162 256 HG SER 35 HG SER 35 4.965 -8.412 -31.931 257 H LYS 36 H LYS 36 1.102 -6.961 -31.537 258 HA LYS 36 HA LYS 36 -0.995 -8.615 -32.395 259 1HB LYS 36 1HB LYS 36 0.917 -10.223 -31.465 260 2HB LYS 36 2HB LYS 36 0.167 -9.813 -29.928 261 1HG LYS 36 1HG LYS 36 -1.386 -10.875 -32.271 262 2HG LYS 36 2HG LYS 36 -0.661 -11.911 -31.040 263 1HD LYS 36 1HD LYS 36 -1.938 -10.402 -29.366 264 2HD LYS 36 2HD LYS 36 -2.896 -9.934 -30.773 265 1HE LYS 36 1HE LYS 36 -2.487 -12.826 -30.449 266 2HE LYS 36 2HE LYS 36 -3.435 -12.062 -29.174 267 1HZ LYS 36 1HZ LYS 36 -4.745 -12.906 -31.101 268 2HZ LYS 36 2HZ LYS 36 -4.014 -11.722 -32.063 269 3HZ LYS 36 3HZ LYS 36 -4.989 -11.267 -30.757 270 H SER 37 H SER 37 0.382 -8.035 -29.157 271 HA SER 37 HA SER 37 -1.230 -5.842 -28.506 272 1HB SER 37 1HB SER 37 -3.174 -7.180 -28.567 273 2HB SER 37 2HB SER 37 -2.364 -8.541 -27.792 274 HG SER 37 HG SER 37 -3.429 -7.680 -26.140 275 H SER 38 H SER 38 -1.148 -5.308 -26.187 276 HA SER 38 HA SER 38 1.382 -5.521 -25.118 277 1HB SER 38 1HB SER 38 -0.293 -3.853 -24.395 278 2HB SER 38 2HB SER 38 -1.192 -5.127 -23.571 279 HG SER 38 HG SER 38 0.613 -5.443 -22.227 280 H LYS 39 H LYS 39 -1.489 -7.441 -24.279 281 HA LYS 39 HA LYS 39 -0.383 -9.012 -22.277 282 1HB LYS 39 1HB LYS 39 -2.766 -8.995 -23.830 283 2HB LYS 39 2HB LYS 39 -2.133 -10.636 -23.844 284 1HG LYS 39 1HG LYS 39 -1.894 -10.159 -21.246 285 2HG LYS 39 2HG LYS 39 -3.205 -9.031 -21.598 286 1HD LYS 39 1HD LYS 39 -4.692 -10.686 -22.005 287 2HD LYS 39 2HD LYS 39 -3.483 -11.729 -22.759 288 1HE LYS 39 1HE LYS 39 -3.258 -12.889 -20.879 289 2HE LYS 39 2HE LYS 39 -2.875 -11.421 -19.981 290 1HZ LYS 39 1HZ LYS 39 -5.141 -12.975 -19.742 291 2HZ LYS 39 2HZ LYS 39 -5.653 -11.565 -20.523 292 3HZ LYS 39 3HZ LYS 39 -4.862 -11.465 -19.031 293 H ASP 40 H ASP 40 -0.495 -9.644 -25.775 294 HA ASP 40 HA ASP 40 0.901 -12.099 -25.658 295 1HB ASP 40 1HB ASP 40 -0.022 -10.251 -27.751 296 2HB ASP 40 2HB ASP 40 1.422 -11.165 -28.177 297 H MET 41 H MET 41 1.941 -8.757 -26.031 298 HA MET 41 HA MET 41 4.619 -9.258 -26.727 299 1HB MET 41 1HB MET 41 3.038 -6.965 -25.803 300 2HB MET 41 2HB MET 41 4.730 -6.900 -25.329 301 1HG MET 41 1HG MET 41 5.471 -6.675 -27.466 302 2HG MET 41 2HG MET 41 4.116 -7.572 -28.148 303 1HE MET 41 1HE MET 41 5.441 -4.252 -28.941 304 2HE MET 41 2HE MET 41 4.822 -5.632 -29.848 305 3HE MET 41 3HE MET 41 3.957 -4.094 -29.882 306 H GLU 42 H GLU 42 3.145 -8.586 -23.554 307 HA GLU 42 HA GLU 42 5.455 -8.756 -22.013 308 1HB GLU 42 1HB GLU 42 2.893 -8.205 -21.452 309 2HB GLU 42 2HB GLU 42 2.949 -9.861 -20.863 310 1HG GLU 42 1HG GLU 42 5.236 -8.374 -19.948 311 2HG GLU 42 2HG GLU 42 3.736 -7.556 -19.516 312 H SER 43 H SER 43 3.117 -11.319 -22.805 313 HA SER 43 HA SER 43 4.250 -13.415 -21.418 314 1HB SER 43 1HB SER 43 2.093 -13.318 -22.873 315 2HB SER 43 2HB SER 43 3.151 -13.847 -24.181 316 HG SER 43 HG SER 43 1.987 -15.434 -22.619 317 H HIS 44 H HIS 44 5.033 -12.290 -24.692 318 HA HIS 44 HA HIS 44 6.937 -14.244 -25.313 319 1HB HIS 44 1HB HIS 44 5.941 -12.656 -26.949 320 2HB HIS 44 2HB HIS 44 6.906 -11.364 -26.241 321 HD1 HIS 44 HD1 HIS 44 7.386 -14.663 -28.051 322 HD2 HIS 44 HD2 HIS 44 9.398 -11.104 -27.308 323 HE1 HIS 44 HE1 HIS 44 9.474 -14.767 -29.448 324 H VAL 45 H VAL 45 7.244 -11.160 -23.626 325 HA VAL 45 HA VAL 45 10.073 -11.161 -23.464 326 HB VAL 45 HB VAL 45 8.223 -9.836 -21.488 327 1HG1 VAL 45 1HG1 VAL 45 11.063 -9.484 -22.334 328 2HG1 VAL 45 2HG1 VAL 45 10.153 -8.093 -21.743 329 3HG1 VAL 45 3HG1 VAL 45 10.367 -9.510 -20.714 330 1HG2 VAL 45 1HG2 VAL 45 8.892 -7.945 -23.401 331 2HG2 VAL 45 2HG2 VAL 45 8.476 -9.379 -24.340 332 3HG2 VAL 45 3HG2 VAL 45 7.318 -8.712 -23.189 333 H PHE 46 H PHE 46 7.526 -12.375 -21.341 334 HA PHE 46 HA PHE 46 9.115 -13.007 -19.123 335 1HB PHE 46 1HB PHE 46 6.536 -13.017 -19.381 336 2HB PHE 46 2HB PHE 46 6.750 -14.673 -19.939 337 HD1 PHE 46 HD1 PHE 46 7.245 -16.431 -18.427 338 HD2 PHE 46 HD2 PHE 46 7.175 -12.394 -17.080 339 HE1 PHE 46 HE1 PHE 46 7.296 -17.212 -16.094 340 HE2 PHE 46 HE2 PHE 46 7.227 -13.168 -14.745 341 HZ PHE 46 HZ PHE 46 7.288 -15.580 -14.250 342 H LEU 47 H LEU 47 8.135 -15.022 -21.884 343 HA LEU 47 HA LEU 47 9.618 -17.299 -21.036 344 1HB LEU 47 1HB LEU 47 8.128 -16.491 -23.469 345 2HB LEU 47 2HB LEU 47 9.313 -17.785 -23.636 346 HG LEU 47 HG LEU 47 7.161 -17.908 -21.548 347 1HD1 LEU 47 1HD1 LEU 47 5.588 -18.685 -22.990 348 2HD1 LEU 47 2HD1 LEU 47 6.778 -19.305 -24.133 349 3HD1 LEU 47 3HD1 LEU 47 6.425 -17.579 -24.079 350 1HD2 LEU 47 1HD2 LEU 47 8.443 -19.683 -21.058 351 2HD2 LEU 47 2HD2 LEU 47 9.235 -19.676 -22.635 352 3HD2 LEU 47 3HD2 LEU 47 7.648 -20.425 -22.448 353 H LYS 48 H LYS 48 10.396 -14.431 -22.794 354 HA LYS 48 HA LYS 48 12.810 -15.508 -23.965 355 1HB LYS 48 1HB LYS 48 11.479 -13.741 -25.092 356 2HB LYS 48 2HB LYS 48 11.872 -12.639 -23.779 357 1HG LYS 48 1HG LYS 48 14.057 -12.405 -24.442 358 2HG LYS 48 2HG LYS 48 14.084 -13.963 -25.273 359 1HD LYS 48 1HD LYS 48 12.953 -13.124 -27.134 360 2HD LYS 48 2HD LYS 48 12.345 -11.722 -26.249 361 1HE LYS 48 1HE LYS 48 14.343 -10.589 -26.408 362 2HE LYS 48 2HE LYS 48 15.289 -12.067 -26.581 363 1HZ LYS 48 1HZ LYS 48 13.453 -11.695 -28.740 364 2HZ LYS 48 2HZ LYS 48 15.121 -11.971 -28.782 365 3HZ LYS 48 3HZ LYS 48 14.529 -10.397 -28.599 366 H ALA 49 H ALA 49 11.874 -14.013 -21.021 367 HA ALA 49 HA ALA 49 14.579 -13.172 -20.350 368 1HB ALA 49 1HB ALA 49 13.101 -12.860 -18.066 369 2HB ALA 49 2HB ALA 49 13.347 -11.627 -19.304 370 3HB ALA 49 3HB ALA 49 11.897 -12.631 -19.334 371 H LYS 50 H LYS 50 15.826 -14.060 -18.710 372 HA LYS 50 HA LYS 50 15.111 -16.814 -17.990 373 1HB LYS 50 1HB LYS 50 17.616 -15.430 -18.623 374 2HB LYS 50 2HB LYS 50 17.725 -16.467 -17.207 375 1HG LYS 50 1HG LYS 50 17.863 -18.266 -18.484 376 2HG LYS 50 2HG LYS 50 16.349 -17.854 -19.293 377 1HD LYS 50 1HD LYS 50 17.704 -17.739 -21.106 378 2HD LYS 50 2HD LYS 50 17.985 -16.105 -20.500 379 1HE LYS 50 1HE LYS 50 19.725 -18.061 -19.245 380 2HE LYS 50 2HE LYS 50 19.906 -18.038 -20.998 381 1HZ LYS 50 1HZ LYS 50 21.395 -16.442 -20.276 382 2HZ LYS 50 2HZ LYS 50 20.365 -15.857 -19.068 383 3HZ LYS 50 3HZ LYS 50 20.045 -15.511 -20.693 384 H THR 51 H THR 51 15.704 -13.674 -16.671 385 HA THR 51 HA THR 51 15.043 -14.691 -14.009 386 HB THR 51 HB THR 51 16.797 -13.521 -12.895 387 HG1 THR 51 HG1 THR 51 18.126 -12.088 -13.911 388 1HG2 THR 51 1HG2 THR 51 18.711 -14.724 -13.588 389 2HG2 THR 51 2HG2 THR 51 18.164 -14.781 -15.264 390 3HG2 THR 51 3HG2 THR 51 17.334 -15.732 -14.032 391 H ARG 52 H ARG 52 14.550 -12.860 -12.480 392 HA ARG 52 HA ARG 52 12.523 -11.254 -13.479 393 1HB ARG 52 1HB ARG 52 12.469 -10.187 -11.350 394 2HB ARG 52 2HB ARG 52 12.938 -11.859 -11.067 395 1HG ARG 52 1HG ARG 52 15.331 -11.052 -11.044 396 2HG ARG 52 2HG ARG 52 14.678 -9.413 -11.003 397 1HD ARG 52 1HD ARG 52 13.629 -9.783 -8.915 398 2HD ARG 52 2HD ARG 52 13.884 -11.525 -9.016 399 HE ARG 52 HE ARG 52 15.976 -11.223 -8.151 400 1HH1 ARG 52 1HH1 ARG 52 14.807 -8.174 -9.358 401 2HH1 ARG 52 2HH1 ARG 52 16.143 -7.266 -8.732 402 1HH2 ARG 52 1HH2 ARG 52 17.740 -10.039 -7.322 403 2HH2 ARG 52 2HH2 ARG 52 17.811 -8.328 -7.575 404 H ASP 53 H ASP 53 15.947 -10.707 -13.385 405 HA ASP 53 HA ASP 53 15.835 -7.878 -13.791 406 1HB ASP 53 1HB ASP 53 17.805 -9.600 -13.034 407 2HB ASP 53 2HB ASP 53 18.244 -9.306 -14.714 408 H GLU 54 H GLU 54 16.556 -10.637 -15.925 409 HA GLU 54 HA GLU 54 16.973 -9.280 -18.288 410 1HB GLU 54 1HB GLU 54 17.238 -11.747 -17.910 411 2HB GLU 54 2HB GLU 54 15.492 -11.901 -18.046 412 1HG GLU 54 1HG GLU 54 15.490 -11.399 -20.305 413 2HG GLU 54 2HG GLU 54 17.068 -10.616 -20.233 414 H TYR 55 H TYR 55 13.878 -10.491 -17.015 415 HA TYR 55 HA TYR 55 12.276 -9.552 -19.122 416 1HB TYR 55 1HB TYR 55 11.348 -11.181 -17.658 417 2HB TYR 55 2HB TYR 55 11.660 -10.189 -16.238 418 HD1 TYR 55 HD1 TYR 55 10.113 -8.516 -15.540 419 HD2 TYR 55 HD2 TYR 55 9.529 -10.550 -19.230 420 HE1 TYR 55 HE1 TYR 55 7.842 -7.583 -15.688 421 HE2 TYR 55 HE2 TYR 55 7.257 -9.622 -19.389 422 HH TYR 55 HH TYR 55 6.091 -7.424 -18.379 423 H LEU 56 H LEU 56 12.683 -8.160 -15.860 424 HA LEU 56 HA LEU 56 11.273 -5.823 -16.223 425 1HB LEU 56 1HB LEU 56 13.527 -6.647 -14.484 426 2HB LEU 56 2HB LEU 56 13.187 -4.922 -14.597 427 HG LEU 56 HG LEU 56 10.957 -6.797 -13.954 428 1HD1 LEU 56 1HD1 LEU 56 11.738 -6.087 -11.489 429 2HD1 LEU 56 2HD1 LEU 56 13.313 -6.251 -12.264 430 3HD1 LEU 56 3HD1 LEU 56 12.192 -7.612 -12.250 431 1HD2 LEU 56 1HD2 LEU 56 10.838 -4.538 -12.375 432 2HD2 LEU 56 2HD2 LEU 56 9.959 -4.805 -13.881 433 3HD2 LEU 56 3HD2 LEU 56 11.499 -3.943 -13.898 434 H SER 57 H SER 57 14.505 -6.625 -17.295 435 HA SER 57 HA SER 57 15.276 -3.972 -17.990 436 1HB SER 57 1HB SER 57 16.839 -5.930 -17.581 437 2HB SER 57 2HB SER 57 16.378 -6.523 -19.177 438 HG SER 57 HG SER 57 17.695 -5.130 -20.014 439 H LEU 58 H LEU 58 14.283 -6.761 -19.979 440 HA LEU 58 HA LEU 58 14.208 -5.415 -22.426 441 1HB LEU 58 1HB LEU 58 12.614 -7.784 -21.466 442 2HB LEU 58 2HB LEU 58 12.672 -7.240 -23.141 443 HG LEU 58 HG LEU 58 14.908 -8.426 -21.509 444 1HD1 LEU 58 1HD1 LEU 58 14.203 -10.315 -22.432 445 2HD1 LEU 58 2HD1 LEU 58 14.625 -9.652 -24.010 446 3HD1 LEU 58 3HD1 LEU 58 12.989 -9.455 -23.381 447 1HD2 LEU 58 1HD2 LEU 58 14.970 -6.744 -23.946 448 2HD2 LEU 58 2HD2 LEU 58 16.003 -8.173 -23.928 449 3HD2 LEU 58 3HD2 LEU 58 16.174 -6.945 -22.672 450 H VAL 59 H VAL 59 11.605 -6.023 -20.082 451 HA VAL 59 HA VAL 59 9.492 -4.876 -21.461 452 HB VAL 59 HB VAL 59 9.945 -4.753 -18.476 453 1HG1 VAL 59 1HG1 VAL 59 7.482 -4.463 -20.181 454 2HG1 VAL 59 2HG1 VAL 59 7.426 -4.780 -18.445 455 3HG1 VAL 59 3HG1 VAL 59 8.163 -3.295 -19.049 456 1HG2 VAL 59 1HG2 VAL 59 9.686 -7.000 -20.138 457 2HG2 VAL 59 2HG2 VAL 59 9.605 -6.947 -18.378 458 3HG2 VAL 59 3HG2 VAL 59 8.130 -6.802 -19.333 459 H ALA 60 H ALA 60 11.559 -3.289 -19.021 460 HA ALA 60 HA ALA 60 10.534 -0.741 -19.160 461 1HB ALA 60 1HB ALA 60 12.076 -0.739 -17.531 462 2HB ALA 60 2HB ALA 60 13.093 -1.922 -18.353 463 3HB ALA 60 3HB ALA 60 13.178 -0.220 -18.807 464 H ARG 61 H ARG 61 13.283 -1.995 -21.060 465 HA ARG 61 HA ARG 61 13.793 0.228 -22.604 466 1HB ARG 61 1HB ARG 61 14.231 -2.676 -22.895 467 2HB ARG 61 2HB ARG 61 14.261 -1.760 -24.396 468 1HG ARG 61 1HG ARG 61 16.086 -0.468 -23.706 469 2HG ARG 61 2HG ARG 61 15.883 -0.933 -22.015 470 1HD ARG 61 1HD ARG 61 16.636 -3.151 -22.456 471 2HD ARG 61 2HD ARG 61 16.594 -2.880 -24.198 472 HE ARG 61 HE ARG 61 18.711 -2.208 -22.412 473 1HH1 ARG 61 1HH1 ARG 61 17.106 -1.232 -25.343 474 2HH1 ARG 61 2HH1 ARG 61 18.498 -0.431 -25.993 475 1HH2 ARG 61 1HH2 ARG 61 20.550 -1.157 -23.257 476 2HH2 ARG 61 2HH2 ARG 61 20.457 -0.389 -24.806 477 H LEU 62 H LEU 62 11.379 -2.302 -23.131 478 HA LEU 62 HA LEU 62 10.503 -1.427 -25.661 479 1HB LEU 62 1HB LEU 62 9.975 -3.633 -24.855 480 2HB LEU 62 2HB LEU 62 9.076 -2.962 -23.496 481 HG LEU 62 HG LEU 62 8.032 -2.087 -26.069 482 1HD1 LEU 62 1HD1 LEU 62 6.971 -4.363 -26.484 483 2HD1 LEU 62 2HD1 LEU 62 8.265 -5.022 -25.484 484 3HD1 LEU 62 3HD1 LEU 62 8.654 -4.159 -26.972 485 1HD2 LEU 62 1HD2 LEU 62 7.077 -3.097 -23.457 486 2HD2 LEU 62 2HD2 LEU 62 6.015 -3.340 -24.844 487 3HD2 LEU 62 3HD2 LEU 62 6.538 -1.712 -24.407 488 H ILE 63 H ILE 63 9.057 -0.913 -22.441 489 HA ILE 63 HA ILE 63 6.998 0.783 -23.227 490 HB ILE 63 HB ILE 63 8.512 0.566 -20.638 491 1HG1 ILE 63 1HG1 ILE 63 5.655 -0.114 -21.363 492 2HG1 ILE 63 2HG1 ILE 63 6.980 -1.273 -21.349 493 1HG2 ILE 63 1HG2 ILE 63 7.843 2.682 -20.244 494 2HG2 ILE 63 2HG2 ILE 63 6.603 2.636 -21.496 495 3HG2 ILE 63 3HG2 ILE 63 6.290 1.911 -19.919 496 1HD1 ILE 63 1HD1 ILE 63 7.283 -0.517 -18.894 497 2HD1 ILE 63 2HD1 ILE 63 5.634 0.087 -19.062 498 3HD1 ILE 63 3HD1 ILE 63 5.975 -1.625 -19.309 499 H ILE 64 H ILE 64 10.272 1.619 -22.116 500 HA ILE 64 HA ILE 64 10.047 4.387 -22.235 501 HB ILE 64 HB ILE 64 12.449 2.627 -22.717 502 1HG1 ILE 64 1HG1 ILE 64 12.286 4.341 -20.332 503 2HG1 ILE 64 2HG1 ILE 64 11.044 3.096 -20.413 504 1HG2 ILE 64 1HG2 ILE 64 12.137 5.559 -22.877 505 2HG2 ILE 64 2HG2 ILE 64 13.537 4.964 -21.987 506 3HG2 ILE 64 3HG2 ILE 64 13.298 4.494 -23.670 507 1HD1 ILE 64 1HD1 ILE 64 12.497 1.602 -19.691 508 2HD1 ILE 64 2HD1 ILE 64 13.529 1.911 -21.088 509 3HD1 ILE 64 3HD1 ILE 64 13.740 2.850 -19.611 510 H HIS 65 H HIS 65 11.066 2.112 -24.767 511 HA HIS 65 HA HIS 65 11.663 3.978 -26.753 512 1HB HIS 65 1HB HIS 65 11.728 1.252 -26.580 513 2HB HIS 65 2HB HIS 65 10.395 1.497 -27.705 514 HD1 HIS 65 HD1 HIS 65 14.037 1.428 -27.512 515 HD2 HIS 65 HD2 HIS 65 11.173 3.012 -30.072 516 HE1 HIS 65 HE1 HIS 65 15.261 1.963 -29.643 517 H PHE 66 H PHE 66 8.595 2.613 -25.734 518 HA PHE 66 HA PHE 66 7.058 3.538 -27.926 519 1HB PHE 66 1HB PHE 66 6.468 2.497 -25.196 520 2HB PHE 66 2HB PHE 66 5.187 3.358 -26.042 521 HD1 PHE 66 HD1 PHE 66 6.668 0.232 -25.505 522 HD2 PHE 66 HD2 PHE 66 4.785 2.572 -28.520 523 HE1 PHE 66 HE1 PHE 66 6.124 -1.818 -26.752 524 HE2 PHE 66 HE2 PHE 66 4.237 0.526 -29.772 525 HZ PHE 66 HZ PHE 66 4.906 -1.673 -28.888 526 H ARG 67 H ARG 67 7.714 4.883 -24.711 527 HA ARG 67 HA ARG 67 6.062 7.139 -24.916 528 1HB ARG 67 1HB ARG 67 8.582 6.647 -23.331 529 2HB ARG 67 2HB ARG 67 7.619 8.110 -23.171 530 1HG ARG 67 1HG ARG 67 6.117 7.102 -21.875 531 2HG ARG 67 2HG ARG 67 6.026 5.692 -22.933 532 1HD ARG 67 1HD ARG 67 7.633 4.554 -21.784 533 2HD ARG 67 2HD ARG 67 8.475 6.023 -21.292 534 HE ARG 67 HE ARG 67 6.478 4.631 -19.823 535 1HH1 ARG 67 1HH1 ARG 67 7.713 7.814 -20.505 536 2HH1 ARG 67 2HH1 ARG 67 7.177 8.486 -19.001 537 1HH2 ARG 67 1HH2 ARG 67 5.766 5.505 -17.840 538 2HH2 ARG 67 2HH2 ARG 67 6.070 7.172 -17.486 539 H ASP 68 H ASP 68 9.374 6.564 -25.956 540 HA ASP 68 HA ASP 68 9.993 9.249 -26.613 541 1HB ASP 68 1HB ASP 68 11.304 6.727 -26.704 542 2HB ASP 68 2HB ASP 68 11.430 7.450 -28.306 543 H ILE 69 H ILE 69 8.908 6.505 -28.602 544 HA ILE 69 HA ILE 69 8.876 7.715 -31.080 545 HB ILE 69 HB ILE 69 6.878 5.722 -30.002 546 1HG1 ILE 69 1HG1 ILE 69 9.103 4.980 -31.837 547 2HG1 ILE 69 2HG1 ILE 69 9.514 5.314 -30.158 548 1HG2 ILE 69 1HG2 ILE 69 6.643 5.129 -32.445 549 2HG2 ILE 69 2HG2 ILE 69 5.933 6.666 -31.954 550 3HG2 ILE 69 3HG2 ILE 69 7.479 6.640 -32.802 551 1HD1 ILE 69 1HD1 ILE 69 9.050 3.168 -29.810 552 2HD1 ILE 69 2HD1 ILE 69 7.357 3.649 -29.922 553 3HD1 ILE 69 3HD1 ILE 69 8.188 3.013 -31.341 554 H HIS 70 H HIS 70 6.291 7.694 -28.639 555 HA HIS 70 HA HIS 70 4.574 9.379 -30.205 556 1HB HIS 70 1HB HIS 70 3.527 7.839 -28.697 557 2HB HIS 70 2HB HIS 70 4.461 8.448 -27.333 558 HD1 HIS 70 HD1 HIS 70 3.292 10.106 -25.917 559 HD2 HIS 70 HD2 HIS 70 1.687 9.935 -29.746 560 HE1 HIS 70 HE1 HIS 70 1.305 11.647 -25.883 561 H ASN 71 H ASN 71 7.070 9.855 -27.854 562 HA ASN 71 HA ASN 71 6.360 12.441 -26.972 563 1HB ASN 71 1HB ASN 71 7.958 11.220 -25.688 564 2HB ASN 71 2HB ASN 71 9.006 10.992 -27.085 565 1HD2 ASN 71 1HD2 ASN 71 7.374 13.851 -25.774 566 2HD2 ASN 71 2HD2 ASN 71 8.810 14.793 -25.582 567 H LYS 72 H LYS 72 7.991 11.266 -29.817 568 HA LYS 72 HA LYS 72 8.571 12.300 -31.762 569 1HB LYS 72 1HB LYS 72 6.584 14.020 -30.617 570 2HB LYS 72 2HB LYS 72 7.830 15.007 -31.368 571 1HG LYS 72 1HG LYS 72 7.313 12.978 -33.206 572 2HG LYS 72 2HG LYS 72 5.732 13.459 -32.585 573 1HD LYS 72 1HD LYS 72 6.049 14.915 -34.366 574 2HD LYS 72 2HD LYS 72 6.579 15.874 -32.982 575 1HE LYS 72 1HE LYS 72 8.781 15.777 -33.585 576 2HE LYS 72 2HE LYS 72 8.605 14.219 -34.391 577 1HZ LYS 72 1HZ LYS 72 9.005 16.040 -35.954 578 2HZ LYS 72 2HZ LYS 72 7.585 16.803 -35.441 579 3HZ LYS 72 3HZ LYS 72 7.504 15.306 -36.224 580 H LYS 73 H LYS 73 8.833 15.077 -29.560 581 HA LYS 73 HA LYS 73 10.593 16.395 -28.977 582 1HB LYS 73 1HB LYS 73 11.296 13.863 -28.298 583 2HB LYS 73 2HB LYS 73 12.617 14.281 -29.381 584 1HG LYS 73 1HG LYS 73 13.370 15.994 -28.012 585 2HG LYS 73 2HG LYS 73 11.825 16.131 -27.169 586 1HD LYS 73 1HD LYS 73 12.430 14.619 -25.643 587 2HD LYS 73 2HD LYS 73 12.974 13.486 -26.883 588 1HE LYS 73 1HE LYS 73 15.123 14.059 -26.617 589 2HE LYS 73 2HE LYS 73 14.747 15.780 -26.544 590 1HZ LYS 73 1HZ LYS 73 13.965 14.221 -24.225 591 2HZ LYS 73 2HZ LYS 73 14.667 15.758 -24.311 592 3HZ LYS 73 3HZ LYS 73 15.633 14.377 -24.466 593 H SER 74 H SER 74 13.028 16.905 -29.713 594 HA SER 74 HA SER 74 12.793 17.648 -32.479 595 1HB SER 74 1HB SER 74 14.873 18.863 -32.131 596 2HB SER 74 2HB SER 74 13.788 19.156 -30.772 597 HG SER 74 HG SER 74 15.049 17.982 -29.483 598 H GLN 75 H GLN 75 15.023 15.610 -30.601 599 HA GLN 75 HA GLN 75 15.808 14.309 -33.126 600 1HB GLN 75 1HB GLN 75 17.518 15.702 -31.638 601 2HB GLN 75 2HB GLN 75 17.601 14.186 -30.751 602 1HG GLN 75 1HG GLN 75 19.362 14.220 -32.355 603 2HG GLN 75 2HG GLN 75 18.163 13.036 -32.874 604 1HE2 GLN 75 1HE2 GLN 75 18.580 13.071 -35.021 605 2HE2 GLN 75 2HE2 GLN 75 18.343 14.452 -36.030 606 H ALA 76 H ALA 76 14.879 12.380 -33.258 607 HA ALA 76 HA ALA 76 15.124 10.527 -31.027 608 1HB ALA 76 1HB ALA 76 12.976 11.554 -30.595 609 2HB ALA 76 2HB ALA 76 12.453 11.216 -32.245 610 3HB ALA 76 3HB ALA 76 12.749 9.887 -31.124 611 H SER 77 H SER 77 16.587 9.456 -32.420 612 HA SER 77 HA SER 77 15.251 7.873 -34.504 613 1HB SER 77 1HB SER 77 18.052 8.402 -35.117 614 2HB SER 77 2HB SER 77 16.629 8.561 -36.145 615 HG SER 77 HG SER 77 17.315 10.604 -35.918 616 H VAL 78 H VAL 78 15.910 5.758 -34.684 617 HA VAL 78 HA VAL 78 18.174 4.812 -33.122 618 HB VAL 78 HB VAL 78 16.820 3.054 -32.004 619 1HG1 VAL 78 1HG1 VAL 78 15.941 5.851 -31.297 620 2HG1 VAL 78 2HG1 VAL 78 16.012 4.454 -30.221 621 3HG1 VAL 78 3HG1 VAL 78 17.500 5.150 -30.863 622 1HG2 VAL 78 1HG2 VAL 78 14.800 4.011 -33.719 623 2HG2 VAL 78 2HG2 VAL 78 14.685 2.720 -32.523 624 3HG2 VAL 78 3HG2 VAL 78 14.285 4.377 -32.072 Start of MODEL 9 1 1H GLY 2 HT1 GLY 2 3.891 4.880 -9.783 2 1HA GLY 2 1HA GLY 2 4.152 4.263 -12.247 3 2HA GLY 2 2HA GLY 2 5.787 4.872 -12.042 4 H ALA 3 H ALA 3 3.563 2.293 -11.291 5 HA ALA 3 HA ALA 3 3.885 0.131 -10.657 6 1HB ALA 3 1HB ALA 3 6.024 0.750 -12.321 7 2HB ALA 3 2HB ALA 3 6.756 -0.037 -10.922 8 3HB ALA 3 3HB ALA 3 5.490 -0.860 -11.834 9 H MET 4 H MET 4 4.994 -1.270 -9.022 10 HA MET 4 HA MET 4 6.457 0.129 -6.943 11 1HB MET 4 1HB MET 4 3.644 -0.856 -6.611 12 2HB MET 4 2HB MET 4 4.744 -0.857 -5.240 13 1HG MET 4 1HG MET 4 4.077 1.226 -4.881 14 2HG MET 4 2HG MET 4 5.055 1.666 -6.279 15 1HE MET 4 1HE MET 4 1.615 2.130 -4.760 16 2HE MET 4 2HE MET 4 0.509 1.475 -5.968 17 3HE MET 4 3HE MET 4 1.608 0.400 -5.102 18 H GLY 5 H GLY 5 7.713 -1.664 -8.281 19 1HA GLY 5 1HA GLY 5 7.337 -4.283 -6.998 20 2HA GLY 5 2HA GLY 5 8.260 -3.985 -8.463 21 H GLN 6 H GLN 6 9.331 -5.503 -6.450 22 HA GLN 6 HA GLN 6 11.527 -3.778 -5.555 23 1HB GLN 6 1HB GLN 6 9.602 -4.826 -3.829 24 2HB GLN 6 2HB GLN 6 10.986 -5.896 -3.647 25 1HG GLN 6 1HG GLN 6 12.310 -3.649 -3.441 26 2HG GLN 6 2HG GLN 6 10.728 -3.001 -3.009 27 1HE2 GLN 6 1HE2 GLN 6 9.545 -4.408 -1.352 28 2HE2 GLN 6 2HE2 GLN 6 10.489 -4.936 -0.006 29 H GLU 7 H GLU 7 11.142 -5.752 -7.742 30 HA GLU 7 HA GLU 7 12.244 -7.475 -8.744 31 1HB GLU 7 1HB GLU 7 14.515 -6.870 -6.857 32 2HB GLU 7 2HB GLU 7 14.605 -7.519 -8.489 33 1HG GLU 7 1HG GLU 7 13.424 -5.201 -9.045 34 2HG GLU 7 2HG GLU 7 14.264 -4.731 -7.568 35 H THR 8 H THR 8 10.602 -8.786 -7.475 36 HA THR 8 HA THR 8 11.893 -11.083 -6.420 37 HB THR 8 HB THR 8 10.177 -10.479 -4.251 38 HG1 THR 8 HG1 THR 8 10.762 -8.234 -5.085 39 1HG2 THR 8 1HG2 THR 8 12.321 -11.876 -4.417 40 2HG2 THR 8 2HG2 THR 8 12.069 -10.946 -2.940 41 3HG2 THR 8 3HG2 THR 8 13.179 -10.355 -4.176 42 H ASP 9 H ASP 9 10.583 -12.848 -6.526 43 HA ASP 9 HA ASP 9 8.815 -14.107 -7.219 44 1HB ASP 9 1HB ASP 9 6.982 -12.089 -5.962 45 2HB ASP 9 2HB ASP 9 6.841 -13.844 -5.996 46 H TRP 10 H TRP 10 9.629 -12.819 -9.318 47 HA TRP 10 HA TRP 10 7.636 -11.091 -10.469 48 1HB TRP 10 1HB TRP 10 9.076 -10.918 -12.342 49 2HB TRP 10 2HB TRP 10 10.139 -11.009 -10.940 50 HD1 TRP 10 HD1 TRP 10 10.905 -13.773 -10.429 51 HE1 TRP 10 HE1 TRP 10 11.856 -15.403 -12.180 52 HE3 TRP 10 HE3 TRP 10 9.217 -11.479 -14.674 53 HZ2 TRP 10 HZ2 TRP 10 11.887 -15.678 -14.989 54 HZ3 TRP 10 HZ3 TRP 10 9.751 -12.489 -16.853 55 HH2 TRP 10 HH2 TRP 10 11.059 -14.546 -17.005 56 H ARG 11 H ARG 11 7.706 -14.329 -9.939 57 HA ARG 11 HA ARG 11 6.484 -15.118 -12.463 58 1HB ARG 11 1HB ARG 11 7.781 -16.486 -10.232 59 2HB ARG 11 2HB ARG 11 6.303 -17.284 -10.752 60 1HG ARG 11 1HG ARG 11 7.127 -17.661 -12.908 61 2HG ARG 11 2HG ARG 11 8.426 -16.484 -12.709 62 1HD ARG 11 1HD ARG 11 9.759 -18.165 -12.126 63 2HD ARG 11 2HD ARG 11 8.797 -18.340 -10.659 64 HE ARG 11 HE ARG 11 8.754 -20.045 -12.983 65 1HH1 ARG 11 1HH1 ARG 11 7.038 -18.989 -10.144 66 2HH1 ARG 11 2HH1 ARG 11 6.063 -20.418 -10.042 67 1HH2 ARG 11 1HH2 ARG 11 7.476 -21.931 -12.860 68 2HH2 ARG 11 2HH2 ARG 11 6.314 -22.091 -11.587 69 H SER 12 H SER 12 5.545 -13.968 -9.415 70 HA SER 12 HA SER 12 3.106 -15.308 -9.025 71 1HB SER 12 1HB SER 12 3.806 -14.113 -7.156 72 2HB SER 12 2HB SER 12 4.228 -12.685 -8.101 73 HG SER 12 HG SER 12 2.188 -12.715 -6.756 74 H THR 13 H THR 13 1.023 -14.871 -9.651 75 HA THR 13 HA THR 13 0.547 -13.877 -12.189 76 HB THR 13 HB THR 13 -1.599 -13.729 -10.097 77 HG1 THR 13 HG1 THR 13 -0.496 -16.102 -11.234 78 1HG2 THR 13 1HG2 THR 13 -2.270 -13.125 -12.318 79 2HG2 THR 13 2HG2 THR 13 -2.924 -14.727 -11.976 80 3HG2 THR 13 3HG2 THR 13 -1.496 -14.557 -12.997 81 H ALA 14 H ALA 14 -0.025 -12.254 -9.071 82 HA ALA 14 HA ALA 14 -1.060 -9.865 -10.000 83 1HB ALA 14 1HB ALA 14 0.722 -9.377 -7.792 84 2HB ALA 14 2HB ALA 14 -1.041 -9.353 -7.839 85 3HB ALA 14 3HB ALA 14 -0.187 -10.868 -7.544 86 H PHE 15 H PHE 15 2.361 -10.649 -9.381 87 HA PHE 15 HA PHE 15 3.505 -8.241 -10.081 88 1HB PHE 15 1HB PHE 15 4.542 -10.523 -9.243 89 2HB PHE 15 2HB PHE 15 4.847 -10.763 -10.960 90 HD1 PHE 15 HD1 PHE 15 5.860 -9.058 -7.955 91 HD2 PHE 15 HD2 PHE 15 6.259 -9.119 -12.192 92 HE1 PHE 15 HE1 PHE 15 7.889 -7.677 -7.780 93 HE2 PHE 15 HE2 PHE 15 8.289 -7.739 -12.024 94 HZ PHE 15 HZ PHE 15 9.107 -7.017 -9.816 95 H ARG 16 H ARG 16 3.448 -11.046 -12.281 96 HA ARG 16 HA ARG 16 4.101 -9.686 -14.597 97 1HB ARG 16 1HB ARG 16 3.957 -12.191 -14.261 98 2HB ARG 16 2HB ARG 16 2.221 -12.044 -14.495 99 1HG ARG 16 1HG ARG 16 2.585 -11.157 -16.734 100 2HG ARG 16 2HG ARG 16 4.330 -11.271 -16.499 101 1HD ARG 16 1HD ARG 16 3.572 -13.168 -17.777 102 2HD ARG 16 2HD ARG 16 4.091 -13.709 -16.181 103 HE ARG 16 HE ARG 16 1.294 -13.181 -16.256 104 1HH1 ARG 16 1HH1 ARG 16 3.717 -15.522 -17.134 105 2HH1 ARG 16 2HH1 ARG 16 2.628 -16.867 -17.069 106 1HH2 ARG 16 1HH2 ARG 16 -0.150 -14.945 -16.167 107 2HH2 ARG 16 2HH2 ARG 16 0.428 -16.538 -16.520 108 H GLN 17 H GLN 17 0.864 -10.406 -13.317 109 HA GLN 17 HA GLN 17 -0.696 -9.387 -15.341 110 1HB GLN 17 1HB GLN 17 -1.549 -10.550 -13.320 111 2HB GLN 17 2HB GLN 17 -1.234 -9.097 -12.381 112 1HG GLN 17 1HG GLN 17 -3.036 -9.079 -14.777 113 2HG GLN 17 2HG GLN 17 -3.616 -9.499 -13.166 114 1HE2 GLN 17 1HE2 GLN 17 -4.286 -7.243 -14.923 115 2HE2 GLN 17 2HE2 GLN 17 -3.966 -5.819 -13.997 116 H LYS 18 H LYS 18 0.666 -7.613 -12.577 117 HA LYS 18 HA LYS 18 -0.389 -5.105 -13.141 118 1HB LYS 18 1HB LYS 18 1.762 -6.185 -11.499 119 2HB LYS 18 2HB LYS 18 2.137 -4.580 -12.113 120 1HG LYS 18 1HG LYS 18 -0.024 -3.779 -11.203 121 2HG LYS 18 2HG LYS 18 -0.273 -5.376 -10.493 122 1HD LYS 18 1HD LYS 18 2.008 -5.020 -9.375 123 2HD LYS 18 2HD LYS 18 1.815 -3.323 -9.821 124 1HE LYS 18 1HE LYS 18 1.014 -3.580 -7.589 125 2HE LYS 18 2HE LYS 18 -0.386 -3.348 -8.635 126 1HZ LYS 18 1HZ LYS 18 0.561 -6.038 -7.843 127 2HZ LYS 18 2HZ LYS 18 -0.937 -5.608 -8.499 128 3HZ LYS 18 3HZ LYS 18 -0.551 -5.165 -6.913 129 H LEU 19 H LEU 19 2.822 -6.362 -14.055 130 HA LEU 19 HA LEU 19 3.668 -4.200 -15.570 131 1HB LEU 19 1HB LEU 19 4.265 -7.132 -15.702 132 2HB LEU 19 2HB LEU 19 4.981 -6.012 -16.859 133 HG LEU 19 HG LEU 19 5.572 -4.831 -14.456 134 1HD1 LEU 19 1HD1 LEU 19 6.646 -6.800 -13.217 135 2HD1 LEU 19 2HD1 LEU 19 5.511 -7.808 -14.113 136 3HD1 LEU 19 3HD1 LEU 19 4.910 -6.553 -13.031 137 1HD2 LEU 19 1HD2 LEU 19 7.016 -6.533 -16.412 138 2HD2 LEU 19 2HD2 LEU 19 7.825 -6.165 -14.888 139 3HD2 LEU 19 3HD2 LEU 19 7.294 -4.855 -15.944 140 H VAL 20 H VAL 20 1.814 -7.047 -16.592 141 HA VAL 20 HA VAL 20 1.699 -6.653 -19.306 142 HB VAL 20 HB VAL 20 -0.360 -7.724 -17.396 143 1HG1 VAL 20 1HG1 VAL 20 -1.555 -8.572 -19.442 144 2HG1 VAL 20 2HG1 VAL 20 -1.694 -6.837 -19.151 145 3HG1 VAL 20 3HG1 VAL 20 -0.586 -7.440 -20.385 146 1HG2 VAL 20 1HG2 VAL 20 0.217 -9.815 -18.798 147 2HG2 VAL 20 2HG2 VAL 20 1.621 -8.884 -19.322 148 3HG2 VAL 20 3HG2 VAL 20 1.388 -9.243 -17.611 149 H SER 21 H SER 21 -0.523 -5.290 -16.878 150 HA SER 21 HA SER 21 -2.127 -3.833 -18.638 151 1HB SER 21 1HB SER 21 -1.419 -3.253 -15.752 152 2HB SER 21 2HB SER 21 -2.714 -2.455 -16.643 153 HG SER 21 HG SER 21 -3.902 -4.217 -16.530 154 H GLN 22 H GLN 22 0.760 -2.814 -16.831 155 HA GLN 22 HA GLN 22 0.855 -0.160 -17.596 156 1HB GLN 22 1HB GLN 22 3.215 -2.012 -17.221 157 2HB GLN 22 2HB GLN 22 3.258 -0.256 -17.147 158 1HG GLN 22 1HG GLN 22 2.136 -2.207 -15.194 159 2HG GLN 22 2HG GLN 22 3.221 -0.844 -14.925 160 1HE2 GLN 22 1HE2 GLN 22 0.297 -1.871 -14.190 161 2HE2 GLN 22 2HE2 GLN 22 -0.581 -0.384 -14.135 162 H ILE 23 H ILE 23 2.407 -2.928 -19.217 163 HA ILE 23 HA ILE 23 3.514 -1.525 -21.356 164 HB ILE 23 HB ILE 23 2.509 -4.371 -21.278 165 1HG1 ILE 23 1HG1 ILE 23 5.378 -3.986 -21.347 166 2HG1 ILE 23 2HG1 ILE 23 4.665 -3.138 -19.979 167 1HG2 ILE 23 1HG2 ILE 23 4.401 -4.442 -23.155 168 2HG2 ILE 23 2HG2 ILE 23 2.705 -4.136 -23.526 169 3HG2 ILE 23 3HG2 ILE 23 3.837 -2.790 -23.399 170 1HD1 ILE 23 1HD1 ILE 23 4.982 -6.007 -20.467 171 2HD1 ILE 23 2HD1 ILE 23 4.896 -5.109 -18.951 172 3HD1 ILE 23 3HD1 ILE 23 3.416 -5.532 -19.811 173 H GLU 24 H GLU 24 0.270 -2.785 -20.882 174 HA GLU 24 HA GLU 24 -0.596 -2.356 -23.567 175 1HB GLU 24 1HB GLU 24 -1.602 -3.743 -21.456 176 2HB GLU 24 2HB GLU 24 -2.632 -2.318 -21.432 177 1HG GLU 24 1HG GLU 24 -2.310 -3.397 -24.103 178 2HG GLU 24 2HG GLU 24 -2.982 -4.574 -22.975 179 H ASP 25 H ASP 25 -0.658 -0.466 -20.603 180 HA ASP 25 HA ASP 25 -2.341 1.601 -21.609 181 1HB ASP 25 1HB ASP 25 -1.794 1.015 -19.152 182 2HB ASP 25 2HB ASP 25 -0.337 1.975 -19.396 183 H ALA 26 H ALA 26 1.174 1.269 -21.238 184 HA ALA 26 HA ALA 26 1.883 3.812 -22.177 185 1HB ALA 26 1HB ALA 26 4.101 2.926 -22.476 186 2HB ALA 26 2HB ALA 26 3.409 2.262 -20.995 187 3HB ALA 26 3HB ALA 26 3.485 1.273 -22.454 188 H MET 27 H MET 27 1.440 0.744 -23.902 189 HA MET 27 HA MET 27 2.255 1.641 -26.435 190 1HB MET 27 1HB MET 27 1.203 -0.735 -25.321 191 2HB MET 27 2HB MET 27 0.163 -0.310 -26.673 192 1HG MET 27 1HG MET 27 2.431 0.010 -27.930 193 2HG MET 27 2HG MET 27 3.047 -1.039 -26.655 194 1HE MET 27 1HE MET 27 -0.736 -1.959 -28.721 195 2HE MET 27 2HE MET 27 0.119 -0.418 -28.782 196 3HE MET 27 3HE MET 27 0.346 -1.605 -30.068 197 H ARG 28 H ARG 28 -0.959 1.515 -24.932 198 HA ARG 28 HA ARG 28 -2.504 2.357 -27.061 199 1HB ARG 28 1HB ARG 28 -3.597 1.639 -25.075 200 2HB ARG 28 2HB ARG 28 -2.782 2.856 -24.102 201 1HG ARG 28 1HG ARG 28 -4.343 4.382 -24.525 202 2HG ARG 28 2HG ARG 28 -4.343 4.022 -26.253 203 1HD ARG 28 1HD ARG 28 -5.844 2.185 -25.935 204 2HD ARG 28 2HD ARG 28 -5.713 2.317 -24.182 205 HE ARG 28 HE ARG 28 -7.431 3.820 -25.887 206 1HH1 ARG 28 1HH1 ARG 28 -5.590 3.967 -22.936 207 2HH1 ARG 28 2HH1 ARG 28 -6.595 5.181 -22.216 208 1HH2 ARG 28 1HH2 ARG 28 -8.761 5.419 -24.950 209 2HH2 ARG 28 2HH2 ARG 28 -8.399 6.006 -23.362 210 H LYS 29 H LYS 29 -1.072 4.430 -24.535 211 HA LYS 29 HA LYS 29 -1.767 6.853 -25.856 212 1HB LYS 29 1HB LYS 29 -0.749 6.117 -23.343 213 2HB LYS 29 2HB LYS 29 0.479 7.149 -24.065 214 1HG LYS 29 1HG LYS 29 -1.368 8.806 -24.531 215 2HG LYS 29 2HG LYS 29 -2.396 7.810 -23.498 216 1HD LYS 29 1HD LYS 29 -1.556 9.460 -22.064 217 2HD LYS 29 2HD LYS 29 -0.542 8.050 -21.745 218 1HE LYS 29 1HE LYS 29 0.561 9.613 -23.891 219 2HE LYS 29 2HE LYS 29 0.283 10.629 -22.478 220 1HZ LYS 29 1HZ LYS 29 1.487 8.902 -21.166 221 2HZ LYS 29 2HZ LYS 29 2.447 9.726 -22.288 222 3HZ LYS 29 3HZ LYS 29 1.912 8.156 -22.624 223 H ALA 30 H ALA 30 0.880 4.651 -26.106 224 HA ALA 30 HA ALA 30 2.804 6.424 -27.200 225 1HB ALA 30 1HB ALA 30 3.928 4.353 -27.977 226 2HB ALA 30 2HB ALA 30 3.507 4.325 -26.264 227 3HB ALA 30 3HB ALA 30 2.528 3.431 -27.427 228 H GLY 31 H GLY 31 0.085 4.713 -28.534 229 1HA GLY 31 1HA GLY 31 -0.893 4.813 -30.610 230 2HA GLY 31 2HA GLY 31 0.106 6.225 -30.922 231 H VAL 32 H VAL 32 0.155 2.682 -30.893 232 HA VAL 32 HA VAL 32 2.045 2.786 -33.147 233 HB VAL 32 HB VAL 32 3.027 0.631 -32.261 234 1HG1 VAL 32 1HG1 VAL 32 3.756 3.211 -31.857 235 2HG1 VAL 32 2HG1 VAL 32 3.676 2.618 -30.197 236 3HG1 VAL 32 3HG1 VAL 32 4.719 1.816 -31.373 237 1HG2 VAL 32 1HG2 VAL 32 0.982 0.561 -30.558 238 2HG2 VAL 32 2HG2 VAL 32 2.536 -0.189 -30.197 239 3HG2 VAL 32 3HG2 VAL 32 2.149 1.399 -29.536 240 H ALA 33 H ALA 33 2.078 0.719 -34.400 241 HA ALA 33 HA ALA 33 -0.538 -0.632 -34.346 242 1HB ALA 33 1HB ALA 33 -0.433 1.080 -36.145 243 2HB ALA 33 2HB ALA 33 0.912 0.187 -36.858 244 3HB ALA 33 3HB ALA 33 -0.680 -0.562 -36.740 245 H HIS 34 H HIS 34 2.860 -0.767 -35.289 246 HA HIS 34 HA HIS 34 2.796 -3.519 -36.054 247 1HB HIS 34 1HB HIS 34 5.077 -1.645 -35.409 248 2HB HIS 34 2HB HIS 34 5.308 -3.303 -35.956 249 HD1 HIS 34 HD1 HIS 34 3.839 -3.736 -38.349 250 HD2 HIS 34 HD2 HIS 34 5.215 0.084 -37.467 251 HE1 HIS 34 HE1 HIS 34 3.868 -2.508 -40.544 252 H SER 35 H SER 35 1.671 -4.316 -34.127 253 HA SER 35 HA SER 35 3.376 -5.672 -32.379 254 1HB SER 35 1HB SER 35 2.552 -2.988 -31.488 255 2HB SER 35 2HB SER 35 2.260 -4.271 -30.313 256 HG SER 35 HG SER 35 4.590 -3.119 -31.038 257 H LYS 36 H LYS 36 2.286 -7.434 -31.835 258 HA LYS 36 HA LYS 36 -0.368 -7.909 -32.440 259 1HB LYS 36 1HB LYS 36 1.640 -9.482 -31.661 260 2HB LYS 36 2HB LYS 36 0.801 -9.363 -30.119 261 1HG LYS 36 1HG LYS 36 -0.401 -10.316 -32.711 262 2HG LYS 36 2HG LYS 36 0.107 -11.336 -31.363 263 1HD LYS 36 1HD LYS 36 -1.516 -9.945 -29.948 264 2HD LYS 36 2HD LYS 36 -2.174 -9.385 -31.488 265 1HE LYS 36 1HE LYS 36 -3.373 -11.244 -31.670 266 2HE LYS 36 2HE LYS 36 -1.905 -12.217 -31.594 267 1HZ LYS 36 1HZ LYS 36 -3.083 -11.167 -29.112 268 2HZ LYS 36 2HZ LYS 36 -2.131 -12.545 -29.345 269 3HZ LYS 36 3HZ LYS 36 -3.751 -12.543 -29.833 270 H SER 37 H SER 37 0.847 -7.704 -29.093 271 HA SER 37 HA SER 37 -0.979 -5.766 -28.215 272 1HB SER 37 1HB SER 37 -2.799 -7.218 -28.500 273 2HB SER 37 2HB SER 37 -1.879 -8.626 -27.969 274 HG SER 37 HG SER 37 -3.456 -7.128 -26.513 275 H SER 38 H SER 38 -0.919 -5.448 -25.899 276 HA SER 38 HA SER 38 1.590 -5.696 -24.778 277 1HB SER 38 1HB SER 38 0.703 -4.728 -22.870 278 2HB SER 38 2HB SER 38 -0.522 -4.292 -24.062 279 HG SER 38 HG SER 38 -0.821 -5.716 -21.840 280 H LYS 39 H LYS 39 -1.211 -7.821 -24.413 281 HA LYS 39 HA LYS 39 -0.156 -9.517 -22.444 282 1HB LYS 39 1HB LYS 39 -2.551 -9.414 -23.226 283 2HB LYS 39 2HB LYS 39 -2.057 -10.324 -24.648 284 1HG LYS 39 1HG LYS 39 -2.055 -12.257 -23.542 285 2HG LYS 39 2HG LYS 39 -1.207 -11.566 -22.157 286 1HD LYS 39 1HD LYS 39 -4.148 -11.192 -22.714 287 2HD LYS 39 2HD LYS 39 -3.487 -12.415 -21.626 288 1HE LYS 39 1HE LYS 39 -3.137 -10.926 -19.991 289 2HE LYS 39 2HE LYS 39 -2.477 -9.728 -21.102 290 1HZ LYS 39 1HZ LYS 39 -4.391 -8.639 -21.095 291 2HZ LYS 39 2HZ LYS 39 -4.941 -9.670 -19.872 292 3HZ LYS 39 3HZ LYS 39 -5.270 -10.030 -21.492 293 H ASP 40 H ASP 40 -0.107 -9.787 -25.988 294 HA ASP 40 HA ASP 40 1.340 -12.218 -26.058 295 1HB ASP 40 1HB ASP 40 0.594 -10.117 -28.027 296 2HB ASP 40 2HB ASP 40 1.923 -11.189 -28.457 297 H MET 41 H MET 41 2.315 -8.828 -26.124 298 HA MET 41 HA MET 41 5.047 -9.272 -26.687 299 1HB MET 41 1HB MET 41 3.358 -7.027 -25.897 300 2HB MET 41 2HB MET 41 4.969 -6.940 -25.197 301 1HG MET 41 1HG MET 41 5.610 -6.016 -27.105 302 2HG MET 41 2HG MET 41 5.450 -7.617 -27.822 303 1HE MET 41 1HE MET 41 4.734 -7.867 -29.694 304 2HE MET 41 2HE MET 41 2.996 -7.859 -29.993 305 3HE MET 41 3HE MET 41 4.021 -6.616 -30.713 306 H GLU 42 H GLU 42 3.338 -8.712 -23.614 307 HA GLU 42 HA GLU 42 5.535 -8.860 -21.914 308 1HB GLU 42 1HB GLU 42 2.888 -8.437 -21.552 309 2HB GLU 42 2HB GLU 42 3.025 -10.074 -20.926 310 1HG GLU 42 1HG GLU 42 5.141 -8.395 -19.918 311 2HG GLU 42 2HG GLU 42 3.555 -7.707 -19.575 312 H SER 43 H SER 43 3.313 -11.465 -22.894 313 HA SER 43 HA SER 43 4.430 -13.559 -21.490 314 1HB SER 43 1HB SER 43 3.418 -15.041 -23.124 315 2HB SER 43 2HB SER 43 2.334 -13.681 -22.835 316 HG SER 43 HG SER 43 2.530 -14.081 -25.055 317 H HIS 44 H HIS 44 5.293 -12.447 -24.757 318 HA HIS 44 HA HIS 44 7.283 -14.306 -25.306 319 1HB HIS 44 1HB HIS 44 6.342 -12.693 -26.948 320 2HB HIS 44 2HB HIS 44 7.247 -11.404 -26.161 321 HD1 HIS 44 HD1 HIS 44 8.377 -14.866 -27.274 322 HD2 HIS 44 HD2 HIS 44 9.280 -10.852 -27.853 323 HE1 HIS 44 HE1 HIS 44 10.405 -14.840 -28.761 324 H VAL 45 H VAL 45 7.516 -11.183 -23.647 325 HA VAL 45 HA VAL 45 10.301 -11.138 -23.323 326 HB VAL 45 HB VAL 45 8.303 -9.975 -21.383 327 1HG1 VAL 45 1HG1 VAL 45 10.702 -8.455 -22.014 328 2HG1 VAL 45 2HG1 VAL 45 10.019 -8.895 -20.448 329 3HG1 VAL 45 3HG1 VAL 45 11.057 -10.032 -21.309 330 1HG2 VAL 45 1HG2 VAL 45 7.534 -8.696 -23.030 331 2HG2 VAL 45 2HG2 VAL 45 9.144 -7.993 -23.176 332 3HG2 VAL 45 3HG2 VAL 45 8.695 -9.380 -24.168 333 H PHE 46 H PHE 46 7.753 -12.291 -21.122 334 HA PHE 46 HA PHE 46 9.302 -13.048 -18.973 335 1HB PHE 46 1HB PHE 46 6.718 -13.153 -19.351 336 2HB PHE 46 2HB PHE 46 7.042 -14.803 -19.873 337 HD1 PHE 46 HD1 PHE 46 7.970 -16.442 -18.290 338 HD2 PHE 46 HD2 PHE 46 6.827 -12.531 -17.059 339 HE1 PHE 46 HE1 PHE 46 7.968 -17.184 -15.944 340 HE2 PHE 46 HE2 PHE 46 6.825 -13.267 -14.712 341 HZ PHE 46 HZ PHE 46 7.397 -15.596 -14.151 342 H LEU 47 H LEU 47 8.560 -14.917 -21.893 343 HA LEU 47 HA LEU 47 10.118 -17.178 -21.047 344 1HB LEU 47 1HB LEU 47 8.625 -16.415 -23.514 345 2HB LEU 47 2HB LEU 47 9.797 -17.730 -23.592 346 HG LEU 47 HG LEU 47 7.652 -17.785 -21.511 347 1HD1 LEU 47 1HD1 LEU 47 6.034 -17.827 -23.029 348 2HD1 LEU 47 2HD1 LEU 47 6.738 -19.318 -23.654 349 3HD1 LEU 47 3HD1 LEU 47 7.197 -17.766 -24.354 350 1HD2 LEU 47 1HD2 LEU 47 9.562 -19.648 -22.773 351 2HD2 LEU 47 2HD2 LEU 47 7.962 -20.296 -22.409 352 3HD2 LEU 47 3HD2 LEU 47 8.945 -19.596 -21.122 353 H LYS 48 H LYS 48 10.754 -14.210 -22.630 354 HA LYS 48 HA LYS 48 13.194 -15.139 -23.900 355 1HB LYS 48 1HB LYS 48 11.606 -13.347 -24.831 356 2HB LYS 48 2HB LYS 48 12.314 -12.271 -23.633 357 1HG LYS 48 1HG LYS 48 14.313 -13.688 -25.201 358 2HG LYS 48 2HG LYS 48 13.240 -12.687 -26.182 359 1HD LYS 48 1HD LYS 48 13.710 -10.788 -24.638 360 2HD LYS 48 2HD LYS 48 14.897 -11.807 -23.820 361 1HE LYS 48 1HE LYS 48 16.349 -10.911 -25.278 362 2HE LYS 48 2HE LYS 48 15.661 -12.069 -26.416 363 1HZ LYS 48 1HZ LYS 48 14.013 -9.820 -26.394 364 2HZ LYS 48 2HZ LYS 48 14.997 -10.377 -27.652 365 3HZ LYS 48 3HZ LYS 48 15.606 -9.265 -26.532 366 H ALA 49 H ALA 49 12.274 -14.148 -20.842 367 HA ALA 49 HA ALA 49 14.906 -13.026 -20.195 368 1HB ALA 49 1HB ALA 49 12.290 -12.424 -19.328 369 2HB ALA 49 2HB ALA 49 13.160 -13.077 -17.939 370 3HB ALA 49 3HB ALA 49 13.807 -11.687 -18.811 371 H LYS 50 H LYS 50 16.149 -13.849 -18.468 372 HA LYS 50 HA LYS 50 15.648 -16.695 -17.926 373 1HB LYS 50 1HB LYS 50 18.061 -15.100 -18.439 374 2HB LYS 50 2HB LYS 50 18.219 -16.223 -17.095 375 1HG LYS 50 1HG LYS 50 18.925 -17.517 -18.846 376 2HG LYS 50 2HG LYS 50 17.212 -17.939 -18.783 377 1HD LYS 50 1HD LYS 50 17.078 -15.849 -20.449 378 2HD LYS 50 2HD LYS 50 18.721 -16.387 -20.806 379 1HE LYS 50 1HE LYS 50 16.574 -18.438 -20.696 380 2HE LYS 50 2HE LYS 50 16.606 -17.354 -22.086 381 1HZ LYS 50 1HZ LYS 50 18.012 -19.621 -21.915 382 2HZ LYS 50 2HZ LYS 50 19.163 -18.507 -21.372 383 3HZ LYS 50 3HZ LYS 50 18.449 -18.312 -22.893 384 H THR 51 H THR 51 15.970 -13.587 -16.459 385 HA THR 51 HA THR 51 15.347 -14.765 -13.860 386 HB THR 51 HB THR 51 16.999 -13.455 -12.669 387 HG1 THR 51 HG1 THR 51 17.539 -12.428 -15.249 388 1HG2 THR 51 1HG2 THR 51 19.010 -14.604 -13.333 389 2HG2 THR 51 2HG2 THR 51 18.363 -14.889 -14.949 390 3HG2 THR 51 3HG2 THR 51 17.642 -15.694 -13.556 391 H ARG 52 H ARG 52 14.838 -12.959 -12.238 392 HA ARG 52 HA ARG 52 12.701 -11.447 -13.184 393 1HB ARG 52 1HB ARG 52 12.608 -10.447 -11.020 394 2HB ARG 52 2HB ARG 52 13.140 -12.108 -10.798 395 1HG ARG 52 1HG ARG 52 15.500 -11.211 -10.746 396 2HG ARG 52 2HG ARG 52 14.785 -9.601 -10.645 397 1HD ARG 52 1HD ARG 52 15.052 -10.074 -8.420 398 2HD ARG 52 2HD ARG 52 13.419 -10.686 -8.681 399 HE ARG 52 HE ARG 52 15.071 -12.820 -9.163 400 1HH1 ARG 52 1HH1 ARG 52 14.491 -10.661 -6.495 401 2HH1 ARG 52 2HH1 ARG 52 14.894 -11.836 -5.287 402 1HH2 ARG 52 1HH2 ARG 52 15.605 -14.376 -7.582 403 2HH2 ARG 52 2HH2 ARG 52 15.528 -13.948 -5.906 404 H ASP 53 H ASP 53 16.082 -10.771 -13.185 405 HA ASP 53 HA ASP 53 15.814 -7.922 -13.482 406 1HB ASP 53 1HB ASP 53 17.871 -9.536 -12.720 407 2HB ASP 53 2HB ASP 53 18.317 -9.190 -14.389 408 H GLU 54 H GLU 54 16.757 -10.588 -15.649 409 HA GLU 54 HA GLU 54 17.103 -9.155 -17.982 410 1HB GLU 54 1HB GLU 54 17.555 -11.605 -17.632 411 2HB GLU 54 2HB GLU 54 15.831 -11.889 -17.822 412 1HG GLU 54 1HG GLU 54 15.856 -11.281 -20.073 413 2HG GLU 54 2HG GLU 54 17.415 -10.472 -19.930 414 H TYR 55 H TYR 55 14.115 -10.314 -16.520 415 HA TYR 55 HA TYR 55 12.461 -9.541 -18.727 416 1HB TYR 55 1HB TYR 55 11.663 -11.314 -17.340 417 2HB TYR 55 2HB TYR 55 11.846 -10.344 -15.883 418 HD1 TYR 55 HD1 TYR 55 9.915 -10.581 -19.050 419 HD2 TYR 55 HD2 TYR 55 10.062 -9.050 -15.084 420 HE1 TYR 55 HE1 TYR 55 7.575 -9.852 -19.252 421 HE2 TYR 55 HE2 TYR 55 7.722 -8.317 -15.273 422 HH TYR 55 HH TYR 55 5.651 -9.144 -16.784 423 H LEU 56 H LEU 56 12.643 -8.314 -15.380 424 HA LEU 56 HA LEU 56 11.099 -6.064 -15.660 425 1HB LEU 56 1HB LEU 56 13.428 -6.744 -13.932 426 2HB LEU 56 2HB LEU 56 12.817 -5.091 -13.919 427 HG LEU 56 HG LEU 56 10.891 -7.321 -13.481 428 1HD1 LEU 56 1HD1 LEU 56 13.150 -6.639 -11.715 429 2HD1 LEU 56 2HD1 LEU 56 12.214 -8.127 -11.843 430 3HD1 LEU 56 3HD1 LEU 56 11.568 -6.754 -10.944 431 1HD2 LEU 56 1HD2 LEU 56 9.603 -5.540 -13.155 432 2HD2 LEU 56 2HD2 LEU 56 10.991 -4.453 -13.203 433 3HD2 LEU 56 3HD2 LEU 56 10.524 -5.220 -11.685 434 H SER 57 H SER 57 14.415 -6.558 -16.671 435 HA SER 57 HA SER 57 14.986 -3.821 -17.217 436 1HB SER 57 1HB SER 57 16.670 -5.716 -16.857 437 2HB SER 57 2HB SER 57 16.339 -6.180 -18.526 438 HG SER 57 HG SER 57 17.349 -3.690 -17.612 439 H LEU 58 H LEU 58 14.298 -6.581 -19.370 440 HA LEU 58 HA LEU 58 14.187 -5.141 -21.754 441 1HB LEU 58 1HB LEU 58 12.866 -7.692 -20.877 442 2HB LEU 58 2HB LEU 58 12.671 -7.050 -22.506 443 HG LEU 58 HG LEU 58 15.238 -7.972 -21.220 444 1HD1 LEU 58 1HD1 LEU 58 13.256 -9.189 -23.011 445 2HD1 LEU 58 2HD1 LEU 58 14.430 -9.942 -21.931 446 3HD1 LEU 58 3HD1 LEU 58 14.935 -9.368 -23.520 447 1HD2 LEU 58 1HD2 LEU 58 15.984 -6.245 -22.552 448 2HD2 LEU 58 2HD2 LEU 58 14.688 -6.450 -23.731 449 3HD2 LEU 58 3HD2 LEU 58 16.023 -7.603 -23.677 450 H VAL 59 H VAL 59 11.581 -5.986 -19.495 451 HA VAL 59 HA VAL 59 9.427 -4.942 -20.901 452 HB VAL 59 HB VAL 59 9.773 -4.869 -17.902 453 1HG1 VAL 59 1HG1 VAL 59 7.425 -4.609 -19.737 454 2HG1 VAL 59 2HG1 VAL 59 7.217 -5.249 -18.106 455 3HG1 VAL 59 3HG1 VAL 59 7.867 -3.626 -18.341 456 1HG2 VAL 59 1HG2 VAL 59 8.189 -7.060 -18.805 457 2HG2 VAL 59 2HG2 VAL 59 9.741 -7.096 -19.644 458 3HG2 VAL 59 3HG2 VAL 59 9.691 -7.088 -17.881 459 H ALA 60 H ALA 60 11.269 -3.312 -18.313 460 HA ALA 60 HA ALA 60 10.085 -0.829 -18.446 461 1HB ALA 60 1HB ALA 60 12.764 -1.798 -17.612 462 2HB ALA 60 2HB ALA 60 12.540 -0.059 -17.808 463 3HB ALA 60 3HB ALA 60 11.521 -0.958 -16.683 464 H ARG 61 H ARG 61 13.037 -1.841 -20.179 465 HA ARG 61 HA ARG 61 13.515 0.453 -21.618 466 1HB ARG 61 1HB ARG 61 14.535 -2.118 -21.594 467 2HB ARG 61 2HB ARG 61 13.906 -1.952 -23.228 468 1HG ARG 61 1HG ARG 61 15.205 0.348 -23.106 469 2HG ARG 61 2HG ARG 61 16.145 -0.534 -21.901 470 1HD ARG 61 1HD ARG 61 15.877 -2.335 -23.983 471 2HD ARG 61 2HD ARG 61 16.115 -0.788 -24.794 472 HE ARG 61 HE ARG 61 18.067 -2.282 -23.358 473 1HH1 ARG 61 1HH1 ARG 61 17.062 0.953 -24.157 474 2HH1 ARG 61 2HH1 ARG 61 18.649 1.628 -23.989 475 1HH2 ARG 61 1HH2 ARG 61 20.161 -1.406 -23.133 476 2HH2 ARG 61 2HH2 ARG 61 20.411 0.285 -23.407 477 H LEU 62 H LEU 62 11.325 -2.209 -22.436 478 HA LEU 62 HA LEU 62 10.557 -1.304 -24.973 479 1HB LEU 62 1HB LEU 62 10.070 -3.544 -24.218 480 2HB LEU 62 2HB LEU 62 9.033 -2.920 -22.937 481 HG LEU 62 HG LEU 62 8.171 -2.063 -25.580 482 1HD1 LEU 62 1HD1 LEU 62 8.963 -4.095 -26.445 483 2HD1 LEU 62 2HD1 LEU 62 7.254 -4.374 -26.113 484 3HD1 LEU 62 3HD1 LEU 62 8.480 -4.994 -25.007 485 1HD2 LEU 62 1HD2 LEU 62 6.895 -3.530 -23.278 486 2HD2 LEU 62 2HD2 LEU 62 6.030 -3.010 -24.725 487 3HD2 LEU 62 3HD2 LEU 62 6.766 -1.812 -23.658 488 H ILE 63 H ILE 63 8.950 -0.846 -21.826 489 HA ILE 63 HA ILE 63 6.857 0.767 -22.734 490 HB ILE 63 HB ILE 63 8.200 0.535 -20.056 491 1HG1 ILE 63 1HG1 ILE 63 5.430 -0.194 -21.034 492 2HG1 ILE 63 2HG1 ILE 63 6.769 -1.321 -20.844 493 1HG2 ILE 63 1HG2 ILE 63 7.490 2.796 -20.079 494 2HG2 ILE 63 2HG2 ILE 63 5.960 2.379 -20.849 495 3HG2 ILE 63 3HG2 ILE 63 6.268 1.896 -19.181 496 1HD1 ILE 63 1HD1 ILE 63 5.318 -1.543 -18.969 497 2HD1 ILE 63 2HD1 ILE 63 6.802 -0.761 -18.422 498 3HD1 ILE 63 3HD1 ILE 63 5.343 0.196 -18.677 499 H ILE 64 H ILE 64 9.976 1.730 -21.306 500 HA ILE 64 HA ILE 64 9.669 4.477 -21.432 501 HB ILE 64 HB ILE 64 12.168 2.821 -21.766 502 1HG1 ILE 64 1HG1 ILE 64 11.852 4.444 -19.362 503 2HG1 ILE 64 2HG1 ILE 64 10.555 3.270 -19.555 504 1HG2 ILE 64 1HG2 ILE 64 13.317 4.992 -21.097 505 2HG2 ILE 64 2HG2 ILE 64 12.727 4.876 -22.754 506 3HG2 ILE 64 3HG2 ILE 64 11.816 5.796 -21.556 507 1HD1 ILE 64 1HD1 ILE 64 11.890 1.736 -18.699 508 2HD1 ILE 64 2HD1 ILE 64 12.940 1.904 -20.106 509 3HD1 ILE 64 3HD1 ILE 64 13.236 2.874 -18.663 510 H HIS 65 H HIS 65 10.881 2.267 -23.927 511 HA HIS 65 HA HIS 65 11.584 4.189 -25.835 512 1HB HIS 65 1HB HIS 65 11.711 1.463 -25.701 513 2HB HIS 65 2HB HIS 65 10.453 1.693 -26.911 514 HD1 HIS 65 HD1 HIS 65 14.106 2.086 -26.344 515 HD2 HIS 65 HD2 HIS 65 11.318 2.898 -29.316 516 HE1 HIS 65 HE1 HIS 65 15.451 2.596 -28.406 517 H PHE 66 H PHE 66 8.496 2.654 -25.118 518 HA PHE 66 HA PHE 66 7.087 3.592 -27.371 519 1HB PHE 66 1HB PHE 66 6.346 2.498 -24.702 520 2HB PHE 66 2HB PHE 66 5.099 3.347 -25.610 521 HD1 PHE 66 HD1 PHE 66 4.876 2.601 -28.126 522 HD2 PHE 66 HD2 PHE 66 6.604 0.242 -25.033 523 HE1 PHE 66 HE1 PHE 66 4.451 0.568 -29.444 524 HE2 PHE 66 HE2 PHE 66 6.182 -1.795 -26.347 525 HZ PHE 66 HZ PHE 66 5.105 -1.634 -28.555 526 H ARG 67 H ARG 67 7.513 4.934 -24.120 527 HA ARG 67 HA ARG 67 5.807 7.146 -24.426 528 1HB ARG 67 1HB ARG 67 8.205 6.683 -22.655 529 2HB ARG 67 2HB ARG 67 7.221 8.138 -22.565 530 1HG ARG 67 1HG ARG 67 5.667 7.116 -21.354 531 2HG ARG 67 2HG ARG 67 5.598 5.748 -22.466 532 1HD ARG 67 1HD ARG 67 7.173 4.548 -21.303 533 2HD ARG 67 2HD ARG 67 7.933 5.991 -20.634 534 HE ARG 67 HE ARG 67 5.261 5.509 -19.673 535 1HH1 ARG 67 1HH1 ARG 67 8.651 4.874 -19.203 536 2HH1 ARG 67 2HH1 ARG 67 8.482 4.506 -17.518 537 1HH2 ARG 67 1HH2 ARG 67 5.025 5.027 -17.456 538 2HH2 ARG 67 2HH2 ARG 67 6.419 4.593 -16.526 539 H ASP 68 H ASP 68 9.222 6.683 -25.170 540 HA ASP 68 HA ASP 68 9.801 9.384 -25.781 541 1HB ASP 68 1HB ASP 68 11.400 7.360 -25.366 542 2HB ASP 68 2HB ASP 68 11.227 7.098 -27.099 543 H ILE 69 H ILE 69 8.982 6.610 -27.852 544 HA ILE 69 HA ILE 69 9.128 7.817 -30.326 545 HB ILE 69 HB ILE 69 7.102 5.768 -29.421 546 1HG1 ILE 69 1HG1 ILE 69 9.492 5.079 -31.053 547 2HG1 ILE 69 2HG1 ILE 69 9.757 5.443 -29.351 548 1HG2 ILE 69 1HG2 ILE 69 7.934 6.678 -32.166 549 2HG2 ILE 69 2HG2 ILE 69 7.077 5.168 -31.863 550 3HG2 ILE 69 3HG2 ILE 69 6.320 6.708 -31.457 551 1HD1 ILE 69 1HD1 ILE 69 9.308 3.300 -28.987 552 2HD1 ILE 69 2HD1 ILE 69 7.621 3.714 -29.299 553 3HD1 ILE 69 3HD1 ILE 69 8.630 3.083 -30.601 554 H HIS 70 H HIS 70 6.331 7.707 -28.132 555 HA HIS 70 HA HIS 70 4.716 9.349 -29.842 556 1HB HIS 70 1HB HIS 70 3.580 7.777 -28.437 557 2HB HIS 70 2HB HIS 70 4.373 8.403 -26.995 558 HD1 HIS 70 HD1 HIS 70 3.042 10.025 -25.683 559 HD2 HIS 70 HD2 HIS 70 1.781 9.824 -29.637 560 HE1 HIS 70 HE1 HIS 70 1.018 11.511 -25.820 561 H ASN 71 H ASN 71 6.985 9.894 -27.289 562 HA ASN 71 HA ASN 71 6.117 12.460 -26.477 563 1HB ASN 71 1HB ASN 71 7.610 11.293 -25.035 564 2HB ASN 71 2HB ASN 71 8.791 11.069 -26.323 565 1HD2 ASN 71 1HD2 ASN 71 7.092 13.661 -24.600 566 2HD2 ASN 71 2HD2 ASN 71 8.448 14.729 -24.520 567 H LYS 72 H LYS 72 8.087 11.326 -29.125 568 HA LYS 72 HA LYS 72 8.940 12.366 -30.959 569 1HB LYS 72 1HB LYS 72 7.293 14.777 -30.207 570 2HB LYS 72 2HB LYS 72 7.834 14.294 -31.809 571 1HG LYS 72 1HG LYS 72 6.392 12.177 -31.369 572 2HG LYS 72 2HG LYS 72 5.618 13.187 -30.146 573 1HD LYS 72 1HD LYS 72 5.912 14.642 -32.611 574 2HD LYS 72 2HD LYS 72 5.076 13.114 -32.895 575 1HE LYS 72 1HE LYS 72 3.320 13.665 -31.492 576 2HE LYS 72 2HE LYS 72 4.272 14.849 -30.598 577 1HZ LYS 72 1HZ LYS 72 3.873 15.430 -33.412 578 2HZ LYS 72 2HZ LYS 72 3.811 16.461 -32.073 579 3HZ LYS 72 3HZ LYS 72 2.478 15.493 -32.457 580 H LYS 73 H LYS 73 10.462 12.469 -28.638 581 HA LYS 73 HA LYS 73 11.404 15.055 -27.999 582 1HB LYS 73 1HB LYS 73 11.821 12.509 -27.028 583 2HB LYS 73 2HB LYS 73 13.378 12.908 -27.742 584 1HG LYS 73 1HG LYS 73 13.820 14.531 -26.220 585 2HG LYS 73 2HG LYS 73 12.119 14.952 -26.009 586 1HD LYS 73 1HD LYS 73 11.918 13.593 -24.251 587 2HD LYS 73 2HD LYS 73 12.673 12.253 -25.116 588 1HE LYS 73 1HE LYS 73 14.826 13.815 -24.644 589 2HE LYS 73 2HE LYS 73 13.838 14.200 -23.236 590 1HZ LYS 73 1HZ LYS 73 15.459 12.228 -23.115 591 2HZ LYS 73 2HZ LYS 73 14.293 11.394 -24.013 592 3HZ LYS 73 3HZ LYS 73 13.897 12.028 -22.495 593 H SER 74 H SER 74 14.057 15.179 -28.240 594 HA SER 74 HA SER 74 14.419 15.867 -30.986 595 1HB SER 74 1HB SER 74 16.573 15.730 -28.871 596 2HB SER 74 2HB SER 74 16.552 16.725 -30.327 597 HG SER 74 HG SER 74 15.014 17.002 -27.975 598 H GLN 75 H GLN 75 14.293 14.015 -32.228 599 HA GLN 75 HA GLN 75 15.070 12.187 -33.337 600 1HB GLN 75 1HB GLN 75 17.338 13.672 -32.652 601 2HB GLN 75 2HB GLN 75 17.728 12.019 -32.198 602 1HG GLN 75 1HG GLN 75 17.857 11.326 -34.324 603 2HG GLN 75 2HG GLN 75 16.486 12.309 -34.837 604 1HE2 GLN 75 1HE2 GLN 75 16.983 14.731 -34.794 605 2HE2 GLN 75 2HE2 GLN 75 18.495 15.201 -35.486 606 H ALA 76 H ALA 76 16.531 10.053 -32.812 607 HA ALA 76 HA ALA 76 16.555 8.067 -31.701 608 1HB ALA 76 1HB ALA 76 16.789 8.142 -29.255 609 2HB ALA 76 2HB ALA 76 17.856 9.292 -30.062 610 3HB ALA 76 3HB ALA 76 16.380 9.857 -29.280 611 H SER 77 H SER 77 14.594 7.305 -32.512 612 HA SER 77 HA SER 77 12.629 6.649 -30.597 613 1HB SER 77 1HB SER 77 12.137 9.053 -32.272 614 2HB SER 77 2HB SER 77 10.793 7.924 -32.094 615 HG SER 77 HG SER 77 10.931 9.608 -30.459 616 H VAL 78 H VAL 78 11.480 4.914 -31.263 617 HA VAL 78 HA VAL 78 11.194 3.017 -32.544 618 HB VAL 78 HB VAL 78 9.281 4.522 -33.104 619 1HG1 VAL 78 1HG1 VAL 78 10.457 6.292 -34.244 620 2HG1 VAL 78 2HG1 VAL 78 10.984 5.175 -35.506 621 3HG1 VAL 78 3HG1 VAL 78 9.274 5.579 -35.340 622 1HG2 VAL 78 1HG2 VAL 78 8.467 2.832 -34.303 623 2HG2 VAL 78 2HG2 VAL 78 9.556 3.177 -35.647 624 3HG2 VAL 78 3HG2 VAL 78 10.095 2.153 -34.317 Start of MODEL 10 1 1H GLY 2 HT1 GLY 2 6.487 5.491 -2.256 2 1HA GLY 2 1HA GLY 2 6.796 3.445 -3.269 3 2HA GLY 2 2HA GLY 2 5.054 3.511 -3.491 4 H ALA 3 H ALA 3 7.833 2.988 -5.082 5 HA ALA 3 HA ALA 3 6.616 3.705 -7.647 6 1HB ALA 3 1HB ALA 3 9.516 4.123 -7.593 7 2HB ALA 3 2HB ALA 3 8.241 5.086 -8.340 8 3HB ALA 3 3HB ALA 3 8.593 5.270 -6.622 9 H MET 4 H MET 4 9.294 2.030 -6.018 10 HA MET 4 HA MET 4 8.870 -0.247 -7.808 11 1HB MET 4 1HB MET 4 11.364 -0.523 -7.988 12 2HB MET 4 2HB MET 4 10.705 0.856 -8.858 13 1HG MET 4 1HG MET 4 11.388 1.722 -6.249 14 2HG MET 4 2HG MET 4 12.746 0.801 -6.892 15 1HE MET 4 1HE MET 4 14.381 1.558 -7.965 16 2HE MET 4 2HE MET 4 14.513 2.870 -9.137 17 3HE MET 4 3HE MET 4 14.569 3.222 -7.409 18 H GLY 5 H GLY 5 10.579 -2.054 -6.976 19 1HA GLY 5 1HA GLY 5 11.611 -2.647 -4.711 20 2HA GLY 5 2HA GLY 5 10.006 -2.287 -4.093 21 H GLN 6 H GLN 6 11.012 -4.717 -3.550 22 HA GLN 6 HA GLN 6 10.518 -6.935 -3.632 23 1HB GLN 6 1HB GLN 6 8.271 -6.167 -5.496 24 2HB GLN 6 2HB GLN 6 8.386 -7.619 -4.510 25 1HG GLN 6 1HG GLN 6 7.317 -6.591 -2.877 26 2HG GLN 6 2HG GLN 6 8.612 -5.399 -2.777 27 1HE2 GLN 6 1HE2 GLN 6 5.451 -5.573 -2.875 28 2HE2 GLN 6 2HE2 GLN 6 5.055 -4.171 -3.803 29 H GLU 7 H GLU 7 12.213 -7.855 -4.652 30 HA GLU 7 HA GLU 7 11.936 -8.290 -7.545 31 1HB GLU 7 1HB GLU 7 14.478 -8.147 -7.654 32 2HB GLU 7 2HB GLU 7 13.608 -6.631 -7.473 33 1HG GLU 7 1HG GLU 7 14.332 -6.305 -5.329 34 2HG GLU 7 2HG GLU 7 14.560 -8.027 -5.028 35 H THR 8 H THR 8 11.132 -10.367 -7.085 36 HA THR 8 HA THR 8 13.138 -12.378 -6.828 37 HB THR 8 HB THR 8 11.441 -13.279 -4.810 38 HG1 THR 8 HG1 THR 8 10.740 -11.529 -3.861 39 1HG2 THR 8 1HG2 THR 8 13.929 -13.551 -5.086 40 2HG2 THR 8 2HG2 THR 8 13.393 -13.228 -3.437 41 3HG2 THR 8 3HG2 THR 8 14.110 -11.937 -4.400 42 H ASP 9 H ASP 9 9.713 -12.368 -5.867 43 HA ASP 9 HA ASP 9 9.175 -14.580 -7.642 44 1HB ASP 9 1HB ASP 9 7.086 -13.049 -6.110 45 2HB ASP 9 2HB ASP 9 7.082 -14.746 -6.584 46 H TRP 10 H TRP 10 9.540 -13.655 -9.694 47 HA TRP 10 HA TRP 10 7.757 -11.487 -10.516 48 1HB TRP 10 1HB TRP 10 9.143 -11.224 -12.429 49 2HB TRP 10 2HB TRP 10 10.234 -11.489 -11.071 50 HD1 TRP 10 HD1 TRP 10 11.002 -14.243 -10.832 51 HE1 TRP 10 HE1 TRP 10 11.773 -15.788 -12.741 52 HE3 TRP 10 HE3 TRP 10 9.015 -11.693 -14.793 53 HZ2 TRP 10 HZ2 TRP 10 11.566 -15.909 -15.553 54 HZ3 TRP 10 HZ3 TRP 10 9.347 -12.590 -17.059 55 HH2 TRP 10 HH2 TRP 10 10.598 -14.654 -17.430 56 H ARG 11 H ARG 11 7.005 -14.390 -10.013 57 HA ARG 11 HA ARG 11 5.870 -14.970 -12.669 58 1HB ARG 11 1HB ARG 11 6.904 -16.705 -10.491 59 2HB ARG 11 2HB ARG 11 5.499 -17.288 -11.374 60 1HG ARG 11 1HG ARG 11 6.662 -17.598 -13.302 61 2HG ARG 11 2HG ARG 11 7.796 -16.290 -12.958 62 1HD ARG 11 1HD ARG 11 9.184 -18.058 -12.608 63 2HD ARG 11 2HD ARG 11 8.494 -17.929 -10.991 64 HE ARG 11 HE ARG 11 6.949 -19.660 -12.626 65 1HH1 ARG 11 1HH1 ARG 11 9.912 -19.485 -10.808 66 2HH1 ARG 11 2HH1 ARG 11 9.982 -21.190 -10.508 67 1HH2 ARG 11 1HH2 ARG 11 7.029 -21.906 -12.238 68 2HH2 ARG 11 2HH2 ARG 11 8.342 -22.566 -11.323 69 H SER 12 H SER 12 5.178 -14.191 -9.399 70 HA SER 12 HA SER 12 2.663 -15.247 -8.984 71 1HB SER 12 1HB SER 12 3.394 -14.153 -7.106 72 2HB SER 12 2HB SER 12 4.090 -12.818 -8.025 73 HG SER 12 HG SER 12 1.761 -12.889 -6.782 74 H THR 13 H THR 13 0.571 -14.613 -9.437 75 HA THR 13 HA THR 13 -0.012 -13.614 -11.940 76 HB THR 13 HB THR 13 -1.942 -13.186 -9.682 77 HG1 THR 13 HG1 THR 13 -1.882 -15.243 -9.224 78 1HG2 THR 13 1HG2 THR 13 -2.182 -14.066 -12.558 79 2HG2 THR 13 2HG2 THR 13 -2.734 -12.547 -11.851 80 3HG2 THR 13 3HG2 THR 13 -3.525 -14.062 -11.416 81 H ALA 14 H ALA 14 -0.120 -11.862 -8.842 82 HA ALA 14 HA ALA 14 -0.973 -9.396 -9.764 83 1HB ALA 14 1HB ALA 14 1.091 -9.686 -7.600 84 2HB ALA 14 2HB ALA 14 -0.190 -8.482 -7.747 85 3HB ALA 14 3HB ALA 14 -0.593 -10.156 -7.365 86 H PHE 15 H PHE 15 2.381 -10.545 -9.408 87 HA PHE 15 HA PHE 15 3.718 -8.296 -10.277 88 1HB PHE 15 1HB PHE 15 4.565 -10.662 -9.454 89 2HB PHE 15 2HB PHE 15 4.697 -10.969 -11.183 90 HD1 PHE 15 HD1 PHE 15 5.891 -8.988 -12.515 91 HD2 PHE 15 HD2 PHE 15 6.419 -9.858 -8.382 92 HE1 PHE 15 HE1 PHE 15 8.066 -7.838 -12.555 93 HE2 PHE 15 HE2 PHE 15 8.595 -8.708 -8.415 94 HZ PHE 15 HZ PHE 15 9.420 -7.696 -10.503 95 H ARG 16 H ARG 16 3.150 -11.127 -12.369 96 HA ARG 16 HA ARG 16 3.749 -9.901 -14.775 97 1HB ARG 16 1HB ARG 16 3.371 -12.365 -14.353 98 2HB ARG 16 2HB ARG 16 1.646 -12.037 -14.434 99 1HG ARG 16 1HG ARG 16 1.919 -11.214 -16.726 100 2HG ARG 16 2HG ARG 16 3.643 -11.578 -16.640 101 1HD ARG 16 1HD ARG 16 3.301 -13.742 -17.060 102 2HD ARG 16 2HD ARG 16 2.004 -13.843 -15.869 103 HE ARG 16 HE ARG 16 0.845 -12.562 -17.956 104 1HH1 ARG 16 1HH1 ARG 16 2.634 -15.533 -17.649 105 2HH1 ARG 16 2HH1 ARG 16 1.804 -16.319 -18.952 106 1HH2 ARG 16 1HH2 ARG 16 -0.255 -13.587 -19.672 107 2HH2 ARG 16 2HH2 ARG 16 0.162 -15.211 -20.102 108 H GLN 17 H GLN 17 0.580 -10.225 -13.201 109 HA GLN 17 HA GLN 17 -1.033 -9.091 -15.120 110 1HB GLN 17 1HB GLN 17 -1.836 -10.101 -13.005 111 2HB GLN 17 2HB GLN 17 -1.267 -8.683 -12.133 112 1HG GLN 17 1HG GLN 17 -3.256 -8.466 -14.364 113 2HG GLN 17 2HG GLN 17 -3.746 -8.819 -12.708 114 1HE2 GLN 17 1HE2 GLN 17 -2.389 -7.269 -11.133 115 2HE2 GLN 17 2HE2 GLN 17 -2.569 -5.595 -11.521 116 H LYS 18 H LYS 18 0.422 -7.331 -12.377 117 HA LYS 18 HA LYS 18 -0.303 -4.773 -13.092 118 1HB LYS 18 1HB LYS 18 1.814 -5.974 -11.439 119 2HB LYS 18 2HB LYS 18 2.178 -4.357 -12.027 120 1HG LYS 18 1HG LYS 18 0.258 -3.447 -10.970 121 2HG LYS 18 2HG LYS 18 -0.373 -5.053 -10.596 122 1HD LYS 18 1HD LYS 18 0.545 -4.567 -8.573 123 2HD LYS 18 2HD LYS 18 1.975 -5.247 -9.353 124 1HE LYS 18 1HE LYS 18 3.020 -3.244 -9.477 125 2HE LYS 18 2HE LYS 18 1.522 -2.361 -9.767 126 1HZ LYS 18 1HZ LYS 18 1.219 -3.197 -7.226 127 2HZ LYS 18 2HZ LYS 18 1.795 -1.671 -7.674 128 3HZ LYS 18 3HZ LYS 18 2.885 -2.905 -7.286 129 H LEU 19 H LEU 19 2.664 -6.504 -14.020 130 HA LEU 19 HA LEU 19 3.815 -4.483 -15.558 131 1HB LEU 19 1HB LEU 19 4.028 -7.458 -15.532 132 2HB LEU 19 2HB LEU 19 4.799 -6.550 -16.831 133 HG LEU 19 HG LEU 19 6.058 -7.237 -14.577 134 1HD1 LEU 19 1HD1 LEU 19 7.053 -6.198 -16.558 135 2HD1 LEU 19 2HD1 LEU 19 7.661 -5.477 -15.068 136 3HD1 LEU 19 3HD1 LEU 19 6.454 -4.625 -16.031 137 1HD2 LEU 19 1HD2 LEU 19 5.039 -4.459 -13.999 138 2HD2 LEU 19 2HD2 LEU 19 6.151 -5.413 -13.017 139 3HD2 LEU 19 3HD2 LEU 19 4.470 -5.920 -13.192 140 H VAL 20 H VAL 20 1.576 -7.065 -16.502 141 HA VAL 20 HA VAL 20 1.514 -6.645 -19.240 142 HB VAL 20 HB VAL 20 -0.577 -7.623 -17.319 143 1HG1 VAL 20 1HG1 VAL 20 -1.900 -6.578 -18.987 144 2HG1 VAL 20 2HG1 VAL 20 -0.874 -7.194 -20.284 145 3HG1 VAL 20 3HG1 VAL 20 -1.890 -8.301 -19.359 146 1HG2 VAL 20 1HG2 VAL 20 1.159 -9.186 -17.701 147 2HG2 VAL 20 2HG2 VAL 20 -0.209 -9.723 -18.677 148 3HG2 VAL 20 3HG2 VAL 20 1.144 -8.888 -19.440 149 H SER 21 H SER 21 -0.432 -5.084 -16.713 150 HA SER 21 HA SER 21 -2.043 -3.526 -18.385 151 1HB SER 21 1HB SER 21 -1.070 -2.910 -15.585 152 2HB SER 21 2HB SER 21 -2.410 -2.102 -16.398 153 HG SER 21 HG SER 21 -3.648 -3.760 -15.998 154 H GLN 22 H GLN 22 1.087 -2.795 -16.884 155 HA GLN 22 HA GLN 22 1.353 -0.150 -17.666 156 1HB GLN 22 1HB GLN 22 3.528 -2.240 -17.461 157 2HB GLN 22 2HB GLN 22 3.783 -0.500 -17.479 158 1HG GLN 22 1HG GLN 22 2.600 -2.213 -15.338 159 2HG GLN 22 2HG GLN 22 3.910 -1.038 -15.235 160 1HE2 GLN 22 1HE2 GLN 22 3.215 1.251 -15.766 161 2HE2 GLN 22 2HE2 GLN 22 1.719 1.777 -15.082 162 H ILE 23 H ILE 23 2.315 -3.084 -19.425 163 HA ILE 23 HA ILE 23 3.388 -1.776 -21.673 164 HB ILE 23 HB ILE 23 2.159 -4.526 -21.460 165 1HG1 ILE 23 1HG1 ILE 23 5.019 -4.435 -21.810 166 2HG1 ILE 23 2HG1 ILE 23 4.553 -3.458 -20.422 167 1HG2 ILE 23 1HG2 ILE 23 3.814 -3.290 -23.654 168 2HG2 ILE 23 2HG2 ILE 23 3.454 -5.011 -23.522 169 3HG2 ILE 23 3HG2 ILE 23 2.147 -3.853 -23.765 170 1HD1 ILE 23 1HD1 ILE 23 3.102 -5.624 -19.898 171 2HD1 ILE 23 2HD1 ILE 23 4.397 -6.377 -20.829 172 3HD1 ILE 23 3HD1 ILE 23 4.779 -5.447 -19.381 173 H GLU 24 H GLU 24 0.116 -2.737 -20.842 174 HA GLU 24 HA GLU 24 -0.984 -2.258 -23.434 175 1HB GLU 24 1HB GLU 24 -1.879 -3.542 -21.212 176 2HB GLU 24 2HB GLU 24 -2.776 -2.034 -21.101 177 1HG GLU 24 1HG GLU 24 -2.892 -3.012 -23.783 178 2HG GLU 24 2HG GLU 24 -3.363 -4.290 -22.665 179 H ASP 25 H ASP 25 -0.415 -0.322 -20.586 180 HA ASP 25 HA ASP 25 -2.084 1.862 -21.353 181 1HB ASP 25 1HB ASP 25 -1.259 1.321 -19.002 182 2HB ASP 25 2HB ASP 25 0.286 2.011 -19.492 183 H ALA 26 H ALA 26 1.417 1.270 -21.515 184 HA ALA 26 HA ALA 26 2.130 3.720 -22.680 185 1HB ALA 26 1HB ALA 26 3.420 1.025 -22.568 186 2HB ALA 26 2HB ALA 26 4.126 2.310 -23.549 187 3HB ALA 26 3HB ALA 26 3.919 2.539 -21.812 188 H MET 27 H MET 27 1.347 0.589 -24.169 189 HA MET 27 HA MET 27 1.798 1.337 -26.831 190 1HB MET 27 1HB MET 27 0.760 -0.924 -25.440 191 2HB MET 27 2HB MET 27 -0.358 -0.523 -26.736 192 1HG MET 27 1HG MET 27 2.014 -0.355 -28.030 193 2HG MET 27 2HG MET 27 2.357 -1.618 -26.851 194 1HE MET 27 1HE MET 27 -1.490 -1.593 -29.009 195 2HE MET 27 2HE MET 27 -0.377 -0.232 -28.875 196 3HE MET 27 3HE MET 27 -0.332 -1.272 -30.300 197 H ARG 28 H ARG 28 -1.168 1.419 -24.880 198 HA ARG 28 HA ARG 28 -2.977 2.228 -26.799 199 1HB ARG 28 1HB ARG 28 -3.777 1.665 -24.628 200 2HB ARG 28 2HB ARG 28 -2.791 2.906 -23.868 201 1HG ARG 28 1HG ARG 28 -4.367 4.448 -24.133 202 2HG ARG 28 2HG ARG 28 -4.601 4.023 -25.830 203 1HD ARG 28 1HD ARG 28 -6.089 2.235 -25.234 204 2HD ARG 28 2HD ARG 28 -5.746 2.463 -23.520 205 HE ARG 28 HE ARG 28 -6.723 4.871 -24.329 206 1HH1 ARG 28 1HH1 ARG 28 -7.871 1.589 -24.492 207 2HH1 ARG 28 2HH1 ARG 28 -9.544 2.031 -24.414 208 1HH2 ARG 28 1HH2 ARG 28 -8.923 5.467 -24.226 209 2HH2 ARG 28 2HH2 ARG 28 -10.141 4.238 -24.263 210 H LYS 29 H LYS 29 -1.104 4.361 -24.638 211 HA LYS 29 HA LYS 29 -1.889 6.735 -26.011 212 1HB LYS 29 1HB LYS 29 -0.405 6.051 -23.647 213 2HB LYS 29 2HB LYS 29 0.503 7.226 -24.589 214 1HG LYS 29 1HG LYS 29 -1.623 8.599 -24.669 215 2HG LYS 29 2HG LYS 29 -2.257 7.501 -23.440 216 1HD LYS 29 1HD LYS 29 -1.314 8.864 -21.942 217 2HD LYS 29 2HD LYS 29 0.231 8.189 -22.463 218 1HE LYS 29 1HE LYS 29 0.329 10.606 -22.511 219 2HE LYS 29 2HE LYS 29 0.412 9.970 -24.153 220 1HZ LYS 29 1HZ LYS 29 -2.255 10.356 -23.700 221 2HZ LYS 29 2HZ LYS 29 -1.242 11.357 -24.612 222 3HZ LYS 29 3HZ LYS 29 -1.528 11.704 -22.981 223 H ALA 30 H ALA 30 0.495 4.354 -26.565 224 HA ALA 30 HA ALA 30 2.358 6.008 -27.982 225 1HB ALA 30 1HB ALA 30 2.019 3.013 -27.913 226 2HB ALA 30 2HB ALA 30 3.357 3.859 -28.692 227 3HB ALA 30 3HB ALA 30 3.136 3.976 -26.946 228 H GLY 31 H GLY 31 -0.548 4.282 -28.783 229 1HA GLY 31 1HA GLY 31 -1.696 4.014 -30.755 230 2HA GLY 31 2HA GLY 31 -1.007 5.572 -31.184 231 H VAL 32 H VAL 32 -0.464 2.088 -31.282 232 HA VAL 32 HA VAL 32 1.175 2.500 -33.691 233 HB VAL 32 HB VAL 32 2.471 0.432 -32.983 234 1HG1 VAL 32 1HG1 VAL 32 4.116 1.721 -32.026 235 2HG1 VAL 32 2HG1 VAL 32 3.105 2.966 -32.763 236 3HG1 VAL 32 3HG1 VAL 32 2.977 2.632 -31.035 237 1HG2 VAL 32 1HG2 VAL 32 0.604 0.386 -30.934 238 2HG2 VAL 32 2HG2 VAL 32 2.074 -0.583 -31.038 239 3HG2 VAL 32 3HG2 VAL 32 2.086 0.945 -30.158 240 H ALA 33 H ALA 33 0.494 1.386 -35.403 241 HA ALA 33 HA ALA 33 -1.508 -0.723 -34.979 242 1HB ALA 33 1HB ALA 33 -2.573 0.703 -36.385 243 2HB ALA 33 2HB ALA 33 -1.073 1.302 -37.095 244 3HB ALA 33 3HB ALA 33 -1.722 -0.260 -37.594 245 H HIS 34 H HIS 34 0.535 -2.013 -34.415 246 HA HIS 34 HA HIS 34 1.170 -3.649 -36.704 247 1HB HIS 34 1HB HIS 34 2.907 -1.986 -36.949 248 2HB HIS 34 2HB HIS 34 3.341 -2.129 -35.248 249 HD1 HIS 34 HD1 HIS 34 5.737 -2.877 -35.665 250 HD2 HIS 34 HD2 HIS 34 2.910 -5.311 -37.494 251 HE1 HIS 34 HE1 HIS 34 7.003 -4.900 -36.457 252 H SER 35 H SER 35 2.402 -2.989 -33.418 253 HA SER 35 HA SER 35 3.010 -5.619 -32.749 254 1HB SER 35 1HB SER 35 2.004 -4.042 -30.494 255 2HB SER 35 2HB SER 35 3.603 -4.736 -30.758 256 HG SER 35 HG SER 35 3.971 -2.947 -32.220 257 H LYS 36 H LYS 36 1.896 -7.305 -31.888 258 HA LYS 36 HA LYS 36 -0.787 -7.658 -32.450 259 1HB LYS 36 1HB LYS 36 1.145 -9.313 -31.653 260 2HB LYS 36 2HB LYS 36 0.338 -9.106 -30.104 261 1HG LYS 36 1HG LYS 36 -1.679 -10.012 -30.918 262 2HG LYS 36 2HG LYS 36 -1.137 -9.906 -32.594 263 1HD LYS 36 1HD LYS 36 0.748 -11.459 -31.129 264 2HD LYS 36 2HD LYS 36 -0.871 -12.076 -30.790 265 1HE LYS 36 1HE LYS 36 -1.167 -11.889 -33.377 266 2HE LYS 36 2HE LYS 36 0.595 -11.907 -33.388 267 1HZ LYS 36 1HZ LYS 36 0.312 -13.975 -31.912 268 2HZ LYS 36 2HZ LYS 36 0.044 -14.127 -33.575 269 3HZ LYS 36 3HZ LYS 36 -1.269 -14.015 -32.514 270 H SER 37 H SER 37 0.478 -7.428 -29.125 271 HA SER 37 HA SER 37 -1.192 -5.363 -28.263 272 1HB SER 37 1HB SER 37 -3.124 -6.673 -28.560 273 2HB SER 37 2HB SER 37 -2.331 -8.135 -27.974 274 HG SER 37 HG SER 37 -3.526 -7.485 -26.283 275 H SER 38 H SER 38 -1.194 -5.111 -25.904 276 HA SER 38 HA SER 38 1.292 -5.473 -24.767 277 1HB SER 38 1HB SER 38 0.163 -3.929 -23.538 278 2HB SER 38 2HB SER 38 -1.389 -4.735 -23.762 279 HG SER 38 HG SER 38 -1.015 -5.981 -22.046 280 H LYS 39 H LYS 39 -1.611 -7.471 -24.348 281 HA LYS 39 HA LYS 39 -0.612 -9.269 -22.473 282 1HB LYS 39 1HB LYS 39 -2.641 -9.638 -24.677 283 2HB LYS 39 2HB LYS 39 -2.303 -10.872 -23.469 284 1HG LYS 39 1HG LYS 39 -2.795 -8.908 -21.795 285 2HG LYS 39 2HG LYS 39 -3.678 -8.253 -23.176 286 1HD LYS 39 1HD LYS 39 -5.306 -9.485 -22.077 287 2HD LYS 39 2HD LYS 39 -4.735 -10.618 -23.305 288 1HE LYS 39 1HE LYS 39 -4.836 -11.877 -21.331 289 2HE LYS 39 2HE LYS 39 -3.129 -11.479 -21.521 290 1HZ LYS 39 1HZ LYS 39 -5.076 -10.181 -19.697 291 2HZ LYS 39 2HZ LYS 39 -3.514 -9.595 -19.973 292 3HZ LYS 39 3HZ LYS 39 -3.733 -11.115 -19.263 293 H ASP 40 H ASP 40 -0.432 -9.352 -26.010 294 HA ASP 40 HA ASP 40 0.916 -11.860 -26.126 295 1HB ASP 40 1HB ASP 40 0.037 -9.804 -28.017 296 2HB ASP 40 2HB ASP 40 1.550 -10.576 -28.482 297 H MET 41 H MET 41 1.944 -8.507 -25.969 298 HA MET 41 HA MET 41 4.673 -8.958 -26.587 299 1HB MET 41 1HB MET 41 3.028 -6.733 -25.609 300 2HB MET 41 2HB MET 41 4.682 -6.711 -25.012 301 1HG MET 41 1HG MET 41 5.162 -5.646 -26.904 302 2HG MET 41 2HG MET 41 5.045 -7.232 -27.663 303 1HE MET 41 1HE MET 41 2.378 -7.840 -29.260 304 2HE MET 41 2HE MET 41 2.956 -6.616 -30.391 305 3HE MET 41 3HE MET 41 4.111 -7.591 -29.480 306 H GLU 42 H GLU 42 2.906 -8.697 -23.520 307 HA GLU 42 HA GLU 42 5.127 -8.934 -21.818 308 1HB GLU 42 1HB GLU 42 2.475 -8.478 -21.444 309 2HB GLU 42 2HB GLU 42 2.602 -10.136 -20.876 310 1HG GLU 42 1HG GLU 42 4.738 -8.510 -19.824 311 2HG GLU 42 2HG GLU 42 3.159 -7.823 -19.446 312 H SER 43 H SER 43 2.778 -11.422 -22.824 313 HA SER 43 HA SER 43 3.909 -13.608 -21.584 314 1HB SER 43 1HB SER 43 1.730 -13.547 -22.857 315 2HB SER 43 2HB SER 43 2.671 -13.682 -24.342 316 HG SER 43 HG SER 43 1.837 -15.697 -23.331 317 H HIS 44 H HIS 44 4.674 -12.280 -24.784 318 HA HIS 44 HA HIS 44 6.534 -14.198 -25.583 319 1HB HIS 44 1HB HIS 44 5.603 -12.457 -27.073 320 2HB HIS 44 2HB HIS 44 6.552 -11.240 -26.223 321 HD1 HIS 44 HD1 HIS 44 6.797 -13.895 -28.801 322 HD2 HIS 44 HD2 HIS 44 9.339 -11.328 -26.750 323 HE1 HIS 44 HE1 HIS 44 8.981 -13.975 -30.046 324 H VAL 45 H VAL 45 7.075 -11.118 -23.883 325 HA VAL 45 HA VAL 45 9.860 -11.362 -23.634 326 HB VAL 45 HB VAL 45 8.007 -9.942 -21.718 327 1HG1 VAL 45 1HG1 VAL 45 10.650 -8.827 -22.325 328 2HG1 VAL 45 2HG1 VAL 45 9.815 -8.998 -20.779 329 3HG1 VAL 45 3HG1 VAL 45 10.682 -10.370 -21.471 330 1HG2 VAL 45 1HG2 VAL 45 8.425 -9.470 -24.479 331 2HG2 VAL 45 2HG2 VAL 45 7.517 -8.490 -23.327 332 3HG2 VAL 45 3HG2 VAL 45 9.234 -8.180 -23.588 333 H PHE 46 H PHE 46 7.245 -12.264 -21.405 334 HA PHE 46 HA PHE 46 8.746 -13.112 -19.248 335 1HB PHE 46 1HB PHE 46 6.163 -12.984 -19.586 336 2HB PHE 46 2HB PHE 46 6.321 -14.658 -20.108 337 HD1 PHE 46 HD1 PHE 46 7.146 -16.370 -18.532 338 HD2 PHE 46 HD2 PHE 46 6.328 -12.379 -17.300 339 HE1 PHE 46 HE1 PHE 46 7.106 -17.106 -16.184 340 HE2 PHE 46 HE2 PHE 46 6.288 -13.108 -14.951 341 HZ PHE 46 HZ PHE 46 6.678 -15.474 -14.390 342 H LEU 47 H LEU 47 7.940 -14.852 -22.210 343 HA LEU 47 HA LEU 47 9.286 -17.255 -21.318 344 1HB LEU 47 1HB LEU 47 7.703 -16.443 -23.696 345 2HB LEU 47 2HB LEU 47 8.838 -17.778 -23.880 346 HG LEU 47 HG LEU 47 6.794 -17.800 -21.687 347 1HD1 LEU 47 1HD1 LEU 47 6.158 -19.218 -24.194 348 2HD1 LEU 47 2HD1 LEU 47 5.961 -17.466 -24.216 349 3HD1 LEU 47 3HD1 LEU 47 5.093 -18.435 -23.026 350 1HD2 LEU 47 1HD2 LEU 47 8.051 -19.619 -21.279 351 2HD2 LEU 47 2HD2 LEU 47 8.703 -19.667 -22.917 352 3HD2 LEU 47 3HD2 LEU 47 7.104 -20.334 -22.583 353 H LYS 48 H LYS 48 10.129 -14.356 -22.867 354 HA LYS 48 HA LYS 48 12.423 -15.488 -24.257 355 1HB LYS 48 1HB LYS 48 10.909 -13.538 -25.081 356 2HB LYS 48 2HB LYS 48 11.868 -12.550 -23.987 357 1HG LYS 48 1HG LYS 48 13.575 -14.183 -25.626 358 2HG LYS 48 2HG LYS 48 12.465 -13.239 -26.623 359 1HD LYS 48 1HD LYS 48 13.146 -11.227 -25.258 360 2HD LYS 48 2HD LYS 48 14.419 -12.232 -24.563 361 1HE LYS 48 1HE LYS 48 14.643 -12.627 -27.302 362 2HE LYS 48 2HE LYS 48 14.296 -10.906 -27.138 363 1HZ LYS 48 1HZ LYS 48 16.734 -11.858 -26.985 364 2HZ LYS 48 2HZ LYS 48 16.311 -12.050 -25.359 365 3HZ LYS 48 3HZ LYS 48 16.245 -10.518 -26.075 366 H ALA 49 H ALA 49 11.678 -14.313 -21.190 367 HA ALA 49 HA ALA 49 14.447 -13.505 -20.646 368 1HB ALA 49 1HB ALA 49 11.903 -12.600 -19.703 369 2HB ALA 49 2HB ALA 49 12.876 -13.154 -18.340 370 3HB ALA 49 3HB ALA 49 13.504 -11.913 -19.424 371 H LYS 50 H LYS 50 15.568 -14.362 -18.827 372 HA LYS 50 HA LYS 50 14.764 -17.116 -18.200 373 1HB LYS 50 1HB LYS 50 17.327 -15.783 -18.681 374 2HB LYS 50 2HB LYS 50 17.338 -16.821 -17.261 375 1HG LYS 50 1HG LYS 50 17.447 -18.647 -18.512 376 2HG LYS 50 2HG LYS 50 16.060 -18.140 -19.480 377 1HD LYS 50 1HD LYS 50 17.356 -17.290 -21.128 378 2HD LYS 50 2HD LYS 50 18.590 -16.714 -20.005 379 1HE LYS 50 1HE LYS 50 19.349 -19.056 -19.717 380 2HE LYS 50 2HE LYS 50 18.182 -19.552 -20.942 381 1HZ LYS 50 1HZ LYS 50 20.708 -18.130 -21.250 382 2HZ LYS 50 2HZ LYS 50 19.448 -17.666 -22.278 383 3HZ LYS 50 3HZ LYS 50 19.979 -19.273 -22.262 384 H THR 51 H THR 51 15.356 -14.005 -16.807 385 HA THR 51 HA THR 51 14.525 -15.043 -14.199 386 HB THR 51 HB THR 51 16.218 -13.780 -12.999 387 HG1 THR 51 HG1 THR 51 17.807 -12.638 -14.105 388 1HG2 THR 51 1HG2 THR 51 16.714 -16.111 -13.755 389 2HG2 THR 51 2HG2 THR 51 18.149 -15.117 -13.505 390 3HG2 THR 51 3HG2 THR 51 17.565 -15.428 -15.139 391 H ARG 52 H ARG 52 14.060 -13.166 -12.662 392 HA ARG 52 HA ARG 52 12.068 -11.549 -13.734 393 1HB ARG 52 1HB ARG 52 11.942 -10.494 -11.611 394 2HB ARG 52 2HB ARG 52 12.420 -12.159 -11.303 395 1HG ARG 52 1HG ARG 52 14.810 -11.303 -11.241 396 2HG ARG 52 2HG ARG 52 14.110 -9.684 -11.177 397 1HD ARG 52 1HD ARG 52 13.740 -9.895 -8.998 398 2HD ARG 52 2HD ARG 52 12.785 -11.351 -9.276 399 HE ARG 52 HE ARG 52 14.551 -12.581 -8.525 400 1HH1 ARG 52 1HH1 ARG 52 15.715 -9.448 -9.499 401 2HH1 ARG 52 2HH1 ARG 52 17.331 -9.731 -8.942 402 1HH2 ARG 52 1HH2 ARG 52 16.675 -12.966 -7.787 403 2HH2 ARG 52 2HH2 ARG 52 17.876 -11.733 -7.969 404 H ASP 53 H ASP 53 15.490 -11.074 -13.592 405 HA ASP 53 HA ASP 53 15.443 -8.236 -13.976 406 1HB ASP 53 1HB ASP 53 17.393 -10.167 -13.368 407 2HB ASP 53 2HB ASP 53 17.879 -9.470 -14.911 408 H GLU 54 H GLU 54 16.221 -10.983 -16.111 409 HA GLU 54 HA GLU 54 16.654 -9.593 -18.456 410 1HB GLU 54 1HB GLU 54 16.966 -12.064 -18.069 411 2HB GLU 54 2HB GLU 54 15.232 -12.250 -18.289 412 1HG GLU 54 1HG GLU 54 15.328 -11.717 -20.541 413 2HG GLU 54 2HG GLU 54 16.889 -10.912 -20.385 414 H TYR 55 H TYR 55 13.596 -10.636 -17.036 415 HA TYR 55 HA TYR 55 11.989 -9.806 -19.240 416 1HB TYR 55 1HB TYR 55 11.071 -11.473 -17.817 417 2HB TYR 55 2HB TYR 55 11.355 -10.504 -16.375 418 HD1 TYR 55 HD1 TYR 55 9.719 -9.003 -15.587 419 HD2 TYR 55 HD2 TYR 55 9.313 -10.705 -19.465 420 HE1 TYR 55 HE1 TYR 55 7.436 -8.102 -15.736 421 HE2 TYR 55 HE2 TYR 55 7.029 -9.807 -19.626 422 HH TYR 55 HH TYR 55 5.289 -8.737 -17.050 423 H LEU 56 H LEU 56 12.293 -8.468 -15.944 424 HA LEU 56 HA LEU 56 10.856 -6.158 -16.262 425 1HB LEU 56 1HB LEU 56 13.205 -6.892 -14.589 426 2HB LEU 56 2HB LEU 56 12.697 -5.205 -14.630 427 HG LEU 56 HG LEU 56 10.650 -7.281 -14.029 428 1HD1 LEU 56 1HD1 LEU 56 11.982 -8.116 -12.412 429 2HD1 LEU 56 2HD1 LEU 56 11.461 -6.674 -11.542 430 3HD1 LEU 56 3HD1 LEU 56 13.017 -6.688 -12.372 431 1HD2 LEU 56 1HD2 LEU 56 11.005 -4.405 -13.793 432 2HD2 LEU 56 2HD2 LEU 56 10.425 -5.144 -12.300 433 3HD2 LEU 56 3HD2 LEU 56 9.527 -5.368 -13.802 434 H SER 57 H SER 57 14.105 -6.849 -17.371 435 HA SER 57 HA SER 57 14.765 -4.159 -18.059 436 1HB SER 57 1HB SER 57 15.955 -6.775 -19.014 437 2HB SER 57 2HB SER 57 16.656 -5.180 -19.290 438 HG SER 57 HG SER 57 17.501 -6.362 -17.439 439 H LEU 58 H LEU 58 13.984 -6.996 -20.078 440 HA LEU 58 HA LEU 58 13.832 -5.660 -22.514 441 1HB LEU 58 1HB LEU 58 12.432 -8.129 -21.517 442 2HB LEU 58 2HB LEU 58 12.308 -7.564 -23.182 443 HG LEU 58 HG LEU 58 14.783 -8.545 -21.767 444 1HD1 LEU 58 1HD1 LEU 58 13.943 -10.495 -22.482 445 2HD1 LEU 58 2HD1 LEU 58 14.500 -9.965 -24.069 446 3HD1 LEU 58 3HD1 LEU 58 12.819 -9.718 -23.597 447 1HD2 LEU 58 1HD2 LEU 58 14.426 -6.967 -24.255 448 2HD2 LEU 58 2HD2 LEU 58 15.608 -8.276 -24.275 449 3HD2 LEU 58 3HD2 LEU 58 15.755 -6.973 -23.095 450 H VAL 59 H VAL 59 11.432 -6.056 -19.980 451 HA VAL 59 HA VAL 59 9.185 -5.149 -21.419 452 HB VAL 59 HB VAL 59 9.739 -4.967 -18.454 453 1HG1 VAL 59 1HG1 VAL 59 7.195 -4.950 -18.356 454 2HG1 VAL 59 2HG1 VAL 59 7.984 -3.461 -18.881 455 3HG1 VAL 59 3HG1 VAL 59 7.242 -4.534 -20.069 456 1HG2 VAL 59 1HG2 VAL 59 9.051 -7.103 -18.230 457 2HG2 VAL 59 2HG2 VAL 59 7.859 -6.967 -19.522 458 3HG2 VAL 59 3HG2 VAL 59 9.557 -7.233 -19.914 459 H ALA 60 H ALA 60 11.221 -3.395 -19.069 460 HA ALA 60 HA ALA 60 10.102 -0.888 -19.333 461 1HB ALA 60 1HB ALA 60 12.753 -1.907 -18.509 462 2HB ALA 60 2HB ALA 60 12.644 -0.190 -18.896 463 3HB ALA 60 3HB ALA 60 11.611 -0.879 -17.644 464 H ARG 61 H ARG 61 12.952 -2.113 -21.100 465 HA ARG 61 HA ARG 61 13.404 0.050 -22.743 466 1HB ARG 61 1HB ARG 61 13.990 -2.836 -22.861 467 2HB ARG 61 2HB ARG 61 13.997 -2.016 -24.417 468 1HG ARG 61 1HG ARG 61 15.812 -0.725 -23.887 469 2HG ARG 61 2HG ARG 61 15.493 -0.798 -22.153 470 1HD ARG 61 1HD ARG 61 16.261 -3.074 -22.054 471 2HD ARG 61 2HD ARG 61 16.419 -3.140 -23.809 472 HE ARG 61 HE ARG 61 18.039 -1.074 -23.022 473 1HH1 ARG 61 1HH1 ARG 61 17.793 -4.469 -22.295 474 2HH1 ARG 61 2HH1 ARG 61 19.487 -4.659 -21.987 475 1HH2 ARG 61 1HH2 ARG 61 20.271 -1.311 -22.619 476 2HH2 ARG 61 2HH2 ARG 61 20.896 -2.862 -22.171 477 H LEU 62 H LEU 62 11.117 -2.608 -23.200 478 HA LEU 62 HA LEU 62 10.274 -1.889 -25.793 479 1HB LEU 62 1HB LEU 62 9.864 -4.089 -24.809 480 2HB LEU 62 2HB LEU 62 8.780 -3.361 -23.626 481 HG LEU 62 HG LEU 62 7.804 -4.592 -25.696 482 1HD1 LEU 62 1HD1 LEU 62 6.695 -3.037 -23.937 483 2HD1 LEU 62 2HD1 LEU 62 5.837 -3.415 -25.430 484 3HD1 LEU 62 3HD1 LEU 62 6.662 -1.866 -25.256 485 1HD2 LEU 62 1HD2 LEU 62 7.651 -3.445 -27.698 486 2HD2 LEU 62 2HD2 LEU 62 9.307 -3.103 -27.197 487 3HD2 LEU 62 3HD2 LEU 62 8.046 -1.892 -26.961 488 H ILE 63 H ILE 63 8.730 -1.310 -22.630 489 HA ILE 63 HA ILE 63 6.607 0.244 -23.546 490 HB ILE 63 HB ILE 63 8.045 0.208 -20.904 491 1HG1 ILE 63 1HG1 ILE 63 5.260 -0.675 -21.686 492 2HG1 ILE 63 2HG1 ILE 63 6.652 -1.749 -21.592 493 1HG2 ILE 63 1HG2 ILE 63 7.231 2.284 -20.600 494 2HG2 ILE 63 2HG2 ILE 63 6.058 2.128 -21.906 495 3HG2 ILE 63 3HG2 ILE 63 5.710 1.436 -20.322 496 1HD1 ILE 63 1HD1 ILE 63 4.867 -1.159 -19.566 497 2HD1 ILE 63 2HD1 ILE 63 6.422 -1.976 -19.401 498 3HD1 ILE 63 3HD1 ILE 63 6.311 -0.232 -19.158 499 H ILE 64 H ILE 64 9.743 1.332 -22.245 500 HA ILE 64 HA ILE 64 9.411 4.055 -22.500 501 HB ILE 64 HB ILE 64 11.898 2.390 -22.855 502 1HG1 ILE 64 1HG1 ILE 64 11.656 4.211 -20.571 503 2HG1 ILE 64 2HG1 ILE 64 10.409 2.970 -20.610 504 1HG2 ILE 64 1HG2 ILE 64 13.072 4.612 -22.401 505 2HG2 ILE 64 2HG2 ILE 64 12.427 4.350 -24.021 506 3HG2 ILE 64 3HG2 ILE 64 11.554 5.371 -22.879 507 1HD1 ILE 64 1HD1 ILE 64 12.898 1.735 -21.169 508 2HD1 ILE 64 2HD1 ILE 64 13.087 2.754 -19.742 509 3HD1 ILE 64 3HD1 ILE 64 11.837 1.510 -19.778 510 H HIS 65 H HIS 65 10.495 1.743 -24.957 511 HA HIS 65 HA HIS 65 11.114 3.567 -26.980 512 1HB HIS 65 1HB HIS 65 11.260 0.875 -26.755 513 2HB HIS 65 2HB HIS 65 9.869 1.019 -27.826 514 HD1 HIS 65 HD1 HIS 65 12.410 -0.247 -28.898 515 HD2 HIS 65 HD2 HIS 65 11.587 3.815 -29.184 516 HE1 HIS 65 HE1 HIS 65 13.795 0.586 -30.825 517 H PHE 66 H PHE 66 8.043 2.068 -26.090 518 HA PHE 66 HA PHE 66 6.530 2.956 -28.279 519 1HB PHE 66 1HB PHE 66 5.933 1.974 -25.539 520 2HB PHE 66 2HB PHE 66 4.651 2.852 -26.367 521 HD1 PHE 66 HD1 PHE 66 5.538 -0.279 -25.604 522 HD2 PHE 66 HD2 PHE 66 4.750 2.050 -29.078 523 HE1 PHE 66 HE1 PHE 66 4.941 -2.324 -26.835 524 HE2 PHE 66 HE2 PHE 66 4.150 0.009 -30.314 525 HZ PHE 66 HZ PHE 66 4.244 -2.181 -29.192 526 H ARG 67 H ARG 67 7.157 4.443 -25.125 527 HA ARG 67 HA ARG 67 5.480 6.678 -25.462 528 1HB ARG 67 1HB ARG 67 7.950 6.266 -23.776 529 2HB ARG 67 2HB ARG 67 6.963 7.719 -23.699 530 1HG ARG 67 1HG ARG 67 5.354 6.716 -22.502 531 2HG ARG 67 2HG ARG 67 5.476 5.208 -23.410 532 1HD ARG 67 1HD ARG 67 6.388 4.401 -21.524 533 2HD ARG 67 2HD ARG 67 7.845 5.224 -22.080 534 HE ARG 67 HE ARG 67 7.632 6.664 -20.326 535 1HH1 ARG 67 1HH1 ARG 67 4.549 5.153 -20.905 536 2HH1 ARG 67 2HH1 ARG 67 3.794 5.863 -19.517 537 1HH2 ARG 67 1HH2 ARG 67 6.648 7.605 -18.496 538 2HH2 ARG 67 2HH2 ARG 67 4.988 7.259 -18.148 539 H ASP 68 H ASP 68 8.819 6.064 -26.381 540 HA ASP 68 HA ASP 68 9.419 8.740 -27.140 541 1HB ASP 68 1HB ASP 68 10.715 6.083 -27.436 542 2HB ASP 68 2HB ASP 68 11.204 7.338 -28.570 543 H ILE 69 H ILE 69 8.506 5.841 -28.984 544 HA ILE 69 HA ILE 69 8.609 6.858 -31.544 545 HB ILE 69 HB ILE 69 6.569 4.926 -30.436 546 1HG1 ILE 69 1HG1 ILE 69 8.878 4.048 -32.085 547 2HG1 ILE 69 2HG1 ILE 69 9.231 4.562 -30.439 548 1HG2 ILE 69 1HG2 ILE 69 6.836 4.209 -33.004 549 2HG2 ILE 69 2HG2 ILE 69 5.605 5.338 -32.439 550 3HG2 ILE 69 3HG2 ILE 69 7.097 5.947 -33.156 551 1HD1 ILE 69 1HD1 ILE 69 8.098 2.101 -31.386 552 2HD1 ILE 69 2HD1 ILE 69 8.698 2.521 -29.781 553 3HD1 ILE 69 3HD1 ILE 69 7.027 2.875 -30.219 554 H HIS 70 H HIS 70 5.888 6.995 -29.261 555 HA HIS 70 HA HIS 70 4.240 8.518 -31.047 556 1HB HIS 70 1HB HIS 70 3.138 7.104 -29.456 557 2HB HIS 70 2HB HIS 70 3.995 7.851 -28.111 558 HD1 HIS 70 HD1 HIS 70 1.117 8.372 -30.432 559 HD2 HIS 70 HD2 HIS 70 2.956 10.310 -27.250 560 HE1 HIS 70 HE1 HIS 70 -0.474 10.193 -29.744 561 H ASN 71 H ASN 71 6.607 9.236 -28.621 562 HA ASN 71 HA ASN 71 5.805 11.934 -28.145 563 1HB ASN 71 1HB ASN 71 7.125 10.778 -26.480 564 2HB ASN 71 2HB ASN 71 8.420 10.500 -27.640 565 1HD2 ASN 71 1HD2 ASN 71 9.956 11.553 -26.429 566 2HD2 ASN 71 2HD2 ASN 71 9.965 13.267 -26.212 567 H LYS 72 H LYS 72 7.725 10.334 -30.542 568 HA LYS 72 HA LYS 72 8.744 11.065 -32.439 569 1HB LYS 72 1HB LYS 72 6.587 12.883 -31.975 570 2HB LYS 72 2HB LYS 72 7.959 13.793 -32.594 571 1HG LYS 72 1HG LYS 72 8.090 12.333 -34.526 572 2HG LYS 72 2HG LYS 72 6.766 11.352 -33.894 573 1HD LYS 72 1HD LYS 72 6.252 14.252 -34.168 574 2HD LYS 72 2HD LYS 72 6.413 13.334 -35.667 575 1HE LYS 72 1HE LYS 72 4.166 13.109 -35.284 576 2HE LYS 72 2HE LYS 72 4.773 11.681 -34.446 577 1HZ LYS 72 1HZ LYS 72 3.417 13.963 -33.390 578 2HZ LYS 72 2HZ LYS 72 4.863 13.659 -32.567 579 3HZ LYS 72 3HZ LYS 72 3.686 12.449 -32.683 580 H LYS 73 H LYS 73 9.985 13.265 -33.264 581 HA LYS 73 HA LYS 73 12.346 13.371 -31.835 582 1HB LYS 73 1HB LYS 73 11.574 14.323 -34.223 583 2HB LYS 73 2HB LYS 73 11.569 15.828 -33.313 584 1HG LYS 73 1HG LYS 73 13.723 15.925 -33.906 585 2HG LYS 73 2HG LYS 73 13.960 14.790 -32.575 586 1HD LYS 73 1HD LYS 73 13.227 13.652 -35.212 587 2HD LYS 73 2HD LYS 73 14.852 14.321 -35.047 588 1HE LYS 73 1HE LYS 73 15.419 12.341 -34.186 589 2HE LYS 73 2HE LYS 73 14.543 12.847 -32.742 590 1HZ LYS 73 1HZ LYS 73 13.239 11.438 -34.999 591 2HZ LYS 73 2HZ LYS 73 12.626 11.697 -33.444 592 3HZ LYS 73 3HZ LYS 73 13.913 10.624 -33.678 593 H SER 74 H SER 74 13.031 14.396 -30.063 594 HA SER 74 HA SER 74 12.209 16.921 -29.187 595 1HB SER 74 1HB SER 74 11.062 15.819 -27.013 596 2HB SER 74 2HB SER 74 10.139 16.342 -28.421 597 HG SER 74 HG SER 74 11.165 13.717 -28.135 598 H GLN 75 H GLN 75 12.732 17.132 -26.682 599 HA GLN 75 HA GLN 75 15.459 16.328 -26.415 600 1HB GLN 75 1HB GLN 75 13.962 18.386 -25.417 601 2HB GLN 75 2HB GLN 75 14.113 17.346 -24.006 602 1HG GLN 75 1HG GLN 75 15.975 18.594 -23.719 603 2HG GLN 75 2HG GLN 75 16.653 17.335 -24.750 604 1HE2 GLN 75 1HE2 GLN 75 18.069 19.503 -24.752 605 2HE2 GLN 75 2HE2 GLN 75 17.825 20.466 -26.165 606 H ALA 76 H ALA 76 16.291 14.607 -25.420 607 HA ALA 76 HA ALA 76 15.151 13.338 -23.168 608 1HB ALA 76 1HB ALA 76 13.560 12.593 -24.958 609 2HB ALA 76 2HB ALA 76 14.904 11.719 -25.694 610 3HB ALA 76 3HB ALA 76 14.354 11.289 -24.074 611 H SER 77 H SER 77 16.787 12.437 -22.105 612 HA SER 77 HA SER 77 19.376 12.248 -23.261 613 1HB SER 77 1HB SER 77 19.783 10.971 -20.984 614 2HB SER 77 2HB SER 77 19.502 12.712 -21.000 615 HG SER 77 HG SER 77 17.794 12.363 -19.847 616 H VAL 78 H VAL 78 17.669 9.633 -21.560 617 HA VAL 78 HA VAL 78 18.702 7.764 -23.593 618 HB VAL 78 HB VAL 78 19.654 7.354 -21.383 619 1HG1 VAL 78 1HG1 VAL 78 18.464 7.664 -19.536 620 2HG1 VAL 78 2HG1 VAL 78 17.016 7.942 -20.505 621 3HG1 VAL 78 3HG1 VAL 78 17.425 6.310 -19.975 622 1HG2 VAL 78 1HG2 VAL 78 19.296 5.030 -21.307 623 2HG2 VAL 78 2HG2 VAL 78 17.646 5.180 -21.912 624 3HG2 VAL 78 3HG2 VAL 78 19.010 5.483 -22.988 Start of MODEL 11 1 1H GLY 2 HT1 GLY 2 6.251 6.813 -9.422 2 1HA GLY 2 1HA GLY 2 7.036 5.471 -7.623 3 2HA GLY 2 2HA GLY 2 5.741 4.328 -7.948 4 H ALA 3 H ALA 3 6.242 2.528 -9.016 5 HA ALA 3 HA ALA 3 7.413 0.976 -10.200 6 1HB ALA 3 1HB ALA 3 7.537 1.774 -12.268 7 2HB ALA 3 2HB ALA 3 7.672 3.430 -11.678 8 3HB ALA 3 3HB ALA 3 9.119 2.439 -11.862 9 H MET 4 H MET 4 8.698 0.023 -8.699 10 HA MET 4 HA MET 4 11.469 0.974 -8.564 11 1HB MET 4 1HB MET 4 9.643 0.396 -6.250 12 2HB MET 4 2HB MET 4 11.385 0.213 -6.087 13 1HG MET 4 1HG MET 4 11.423 2.640 -7.061 14 2HG MET 4 2HG MET 4 9.763 2.676 -6.472 15 1HE MET 4 1HE MET 4 10.351 4.576 -3.875 16 2HE MET 4 2HE MET 4 9.188 3.593 -4.763 17 3HE MET 4 3HE MET 4 9.640 3.150 -3.117 18 H GLY 5 H GLY 5 9.674 -1.637 -6.939 19 1HA GLY 5 1HA GLY 5 9.727 -3.932 -7.521 20 2HA GLY 5 2HA GLY 5 11.107 -3.611 -8.561 21 H GLN 6 H GLN 6 10.159 -4.999 -5.714 22 HA GLN 6 HA GLN 6 12.883 -5.426 -4.893 23 1HB GLN 6 1HB GLN 6 12.332 -3.259 -3.810 24 2HB GLN 6 2HB GLN 6 10.995 -4.044 -2.980 25 1HG GLN 6 1HG GLN 6 12.388 -4.511 -1.331 26 2HG GLN 6 2HG GLN 6 13.217 -5.623 -2.418 27 1HE2 GLN 6 1HE2 GLN 6 14.567 -4.131 -4.108 28 2HE2 GLN 6 2HE2 GLN 6 15.685 -3.089 -3.304 29 H GLU 7 H GLU 7 11.905 -7.513 -5.613 30 HA GLU 7 HA GLU 7 11.184 -9.061 -3.321 31 1HB GLU 7 1HB GLU 7 9.064 -7.978 -4.876 32 2HB GLU 7 2HB GLU 7 9.124 -9.706 -5.191 33 1HG GLU 7 1HG GLU 7 7.783 -9.769 -3.385 34 2HG GLU 7 2HG GLU 7 9.326 -9.761 -2.533 35 H THR 8 H THR 8 10.877 -11.393 -3.908 36 HA THR 8 HA THR 8 12.466 -12.044 -6.305 37 HB THR 8 HB THR 8 13.275 -14.036 -5.134 38 HG1 THR 8 HG1 THR 8 11.501 -13.105 -3.152 39 1HG2 THR 8 1HG2 THR 8 13.948 -12.157 -3.034 40 2HG2 THR 8 2HG2 THR 8 14.022 -11.404 -4.627 41 3HG2 THR 8 3HG2 THR 8 14.971 -12.851 -4.291 42 H ASP 9 H ASP 9 9.661 -11.753 -6.400 43 HA ASP 9 HA ASP 9 8.932 -14.467 -7.199 44 1HB ASP 9 1HB ASP 9 6.587 -13.966 -6.217 45 2HB ASP 9 2HB ASP 9 7.864 -14.487 -5.120 46 H TRP 10 H TRP 10 9.595 -13.037 -9.154 47 HA TRP 10 HA TRP 10 7.692 -11.125 -10.086 48 1HB TRP 10 1HB TRP 10 9.003 -11.006 -12.063 49 2HB TRP 10 2HB TRP 10 10.142 -11.262 -10.744 50 HD1 TRP 10 HD1 TRP 10 10.620 -14.131 -10.394 51 HE1 TRP 10 HE1 TRP 10 11.305 -15.752 -12.272 52 HE3 TRP 10 HE3 TRP 10 8.996 -11.437 -14.425 53 HZ2 TRP 10 HZ2 TRP 10 11.175 -15.873 -15.089 54 HZ3 TRP 10 HZ3 TRP 10 9.316 -12.376 -16.676 55 HH2 TRP 10 HH2 TRP 10 10.383 -14.548 -17.000 56 H ARG 11 H ARG 11 7.598 -14.454 -9.865 57 HA ARG 11 HA ARG 11 6.095 -14.940 -12.288 58 1HB ARG 11 1HB ARG 11 7.327 -16.550 -10.182 59 2HB ARG 11 2HB ARG 11 5.752 -17.158 -10.678 60 1HG ARG 11 1HG ARG 11 6.452 -17.496 -12.887 61 2HG ARG 11 2HG ARG 11 7.887 -16.491 -12.675 62 1HD ARG 11 1HD ARG 11 9.029 -18.346 -12.234 63 2HD ARG 11 2HD ARG 11 8.099 -18.493 -10.743 64 HE ARG 11 HE ARG 11 7.781 -20.044 -13.153 65 1HH1 ARG 11 1HH1 ARG 11 6.296 -18.964 -10.195 66 2HH1 ARG 11 2HH1 ARG 11 5.163 -20.274 -10.132 67 1HH2 ARG 11 1HH2 ARG 11 6.295 -21.773 -13.082 68 2HH2 ARG 11 2HH2 ARG 11 5.164 -21.872 -11.774 69 H SER 12 H SER 12 5.427 -13.781 -9.192 70 HA SER 12 HA SER 12 2.929 -14.878 -8.611 71 1HB SER 12 1HB SER 12 2.766 -13.271 -6.969 72 2HB SER 12 2HB SER 12 4.498 -13.190 -7.290 73 HG SER 12 HG SER 12 3.022 -11.174 -7.314 74 H THR 13 H THR 13 0.826 -14.266 -9.070 75 HA THR 13 HA THR 13 0.242 -13.423 -11.650 76 HB THR 13 HB THR 13 -1.717 -12.983 -9.417 77 HG1 THR 13 HG1 THR 13 -1.254 -14.987 -8.847 78 1HG2 THR 13 1HG2 THR 13 -2.531 -12.429 -11.595 79 2HG2 THR 13 2HG2 THR 13 -3.258 -13.970 -11.139 80 3HG2 THR 13 3HG2 THR 13 -1.908 -13.933 -12.273 81 H ALA 14 H ALA 14 0.104 -11.562 -8.622 82 HA ALA 14 HA ALA 14 -0.847 -9.161 -9.627 83 1HB ALA 14 1HB ALA 14 -0.384 -8.301 -7.589 84 2HB ALA 14 2HB ALA 14 -0.129 -9.999 -7.183 85 3HB ALA 14 3HB ALA 14 1.250 -8.965 -7.557 86 H PHE 15 H PHE 15 2.541 -10.202 -9.277 87 HA PHE 15 HA PHE 15 3.801 -7.939 -10.233 88 1HB PHE 15 1HB PHE 15 4.721 -10.260 -9.341 89 2HB PHE 15 2HB PHE 15 4.864 -10.603 -11.062 90 HD1 PHE 15 HD1 PHE 15 6.082 -8.776 -12.474 91 HD2 PHE 15 HD2 PHE 15 6.454 -9.205 -8.256 92 HE1 PHE 15 HE1 PHE 15 8.217 -7.554 -12.541 93 HE2 PHE 15 HE2 PHE 15 8.589 -7.983 -8.316 94 HZ PHE 15 HZ PHE 15 9.472 -7.155 -10.461 95 H ARG 16 H ARG 16 3.275 -10.861 -12.211 96 HA ARG 16 HA ARG 16 3.823 -9.706 -14.669 97 1HB ARG 16 1HB ARG 16 3.529 -12.162 -14.160 98 2HB ARG 16 2HB ARG 16 1.792 -11.894 -14.220 99 1HG ARG 16 1HG ARG 16 1.939 -11.218 -16.535 100 2HG ARG 16 2HG ARG 16 3.697 -11.362 -16.490 101 1HD ARG 16 1HD ARG 16 3.456 -13.472 -17.150 102 2HD ARG 16 2HD ARG 16 2.751 -13.815 -15.571 103 HE ARG 16 HE ARG 16 0.664 -12.864 -17.035 104 1HH1 ARG 16 1HH1 ARG 16 2.985 -15.422 -17.471 105 2HH1 ARG 16 2HH1 ARG 16 1.907 -16.421 -18.388 106 1HH2 ARG 16 1HH2 ARG 16 -0.765 -14.170 -18.241 107 2HH2 ARG 16 2HH2 ARG 16 -0.225 -15.708 -18.826 108 H GLN 17 H GLN 17 0.691 -10.043 -13.028 109 HA GLN 17 HA GLN 17 -0.979 -9.036 -14.975 110 1HB GLN 17 1HB GLN 17 -1.734 -9.994 -12.822 111 2HB GLN 17 2HB GLN 17 -1.192 -8.536 -12.001 112 1HG GLN 17 1HG GLN 17 -3.207 -8.433 -14.215 113 2HG GLN 17 2HG GLN 17 -3.674 -8.758 -12.546 114 1HE2 GLN 17 1HE2 GLN 17 -3.905 -6.440 -14.591 115 2HE2 GLN 17 2HE2 GLN 17 -3.529 -5.050 -13.636 116 H LYS 18 H LYS 18 0.456 -7.141 -12.312 117 HA LYS 18 HA LYS 18 -0.353 -4.631 -13.115 118 1HB LYS 18 1HB LYS 18 1.811 -5.707 -11.432 119 2HB LYS 18 2HB LYS 18 2.109 -4.096 -12.071 120 1HG LYS 18 1HG LYS 18 0.179 -3.221 -11.021 121 2HG LYS 18 2HG LYS 18 -0.418 -4.834 -10.622 122 1HD LYS 18 1HD LYS 18 0.483 -4.307 -8.604 123 2HD LYS 18 2HD LYS 18 1.938 -4.945 -9.372 124 1HE LYS 18 1HE LYS 18 2.903 -2.994 -8.896 125 2HE LYS 18 2HE LYS 18 1.879 -2.285 -10.144 126 1HZ LYS 18 1HZ LYS 18 0.475 -2.554 -7.687 127 2HZ LYS 18 2HZ LYS 18 0.745 -1.169 -8.618 128 3HZ LYS 18 3HZ LYS 18 1.890 -1.653 -7.471 129 H LEU 19 H LEU 19 2.646 -6.324 -14.003 130 HA LEU 19 HA LEU 19 3.746 -4.325 -15.609 131 1HB LEU 19 1HB LEU 19 4.028 -7.293 -15.487 132 2HB LEU 19 2HB LEU 19 4.772 -6.410 -16.818 133 HG LEU 19 HG LEU 19 6.060 -6.993 -14.553 134 1HD1 LEU 19 1HD1 LEU 19 6.372 -4.427 -16.105 135 2HD1 LEU 19 2HD1 LEU 19 7.034 -5.997 -16.556 136 3HD1 LEU 19 3HD1 LEU 19 7.605 -5.186 -15.098 137 1HD2 LEU 19 1HD2 LEU 19 6.113 -5.124 -13.047 138 2HD2 LEU 19 2HD2 LEU 19 4.445 -5.679 -13.198 139 3HD2 LEU 19 3HD2 LEU 19 4.971 -4.227 -14.050 140 H VAL 20 H VAL 20 1.580 -7.002 -16.467 141 HA VAL 20 HA VAL 20 1.489 -6.702 -19.207 142 HB VAL 20 HB VAL 20 -0.581 -7.590 -17.226 143 1HG1 VAL 20 1HG1 VAL 20 -1.939 -6.600 -18.896 144 2HG1 VAL 20 2HG1 VAL 20 -0.941 -7.254 -20.195 145 3HG1 VAL 20 3HG1 VAL 20 -1.937 -8.333 -19.218 146 1HG2 VAL 20 1HG2 VAL 20 -0.251 -9.739 -18.490 147 2HG2 VAL 20 2HG2 VAL 20 1.064 -8.945 -19.356 148 3HG2 VAL 20 3HG2 VAL 20 1.163 -9.162 -17.608 149 H SER 21 H SER 21 -0.417 -4.987 -16.754 150 HA SER 21 HA SER 21 -2.025 -3.513 -18.520 151 1HB SER 21 1HB SER 21 -1.219 -3.224 -15.657 152 2HB SER 21 2HB SER 21 -2.003 -1.857 -16.449 153 HG SER 21 HG SER 21 -3.540 -3.700 -17.142 154 H GLN 22 H GLN 22 1.061 -2.692 -16.964 155 HA GLN 22 HA GLN 22 1.342 -0.095 -17.885 156 1HB GLN 22 1HB GLN 22 3.556 -2.125 -17.547 157 2HB GLN 22 2HB GLN 22 3.738 -0.375 -17.545 158 1HG GLN 22 1HG GLN 22 2.586 -2.163 -15.458 159 2HG GLN 22 2HG GLN 22 3.786 -0.880 -15.303 160 1HE2 GLN 22 1HE2 GLN 22 3.003 1.336 -15.627 161 2HE2 GLN 22 2HE2 GLN 22 1.409 1.732 -15.095 162 H ILE 23 H ILE 23 2.446 -3.103 -19.433 163 HA ILE 23 HA ILE 23 3.569 -1.923 -21.712 164 HB ILE 23 HB ILE 23 2.324 -4.657 -21.406 165 1HG1 ILE 23 1HG1 ILE 23 5.199 -4.580 -21.632 166 2HG1 ILE 23 2HG1 ILE 23 4.669 -3.543 -20.312 167 1HG2 ILE 23 1HG2 ILE 23 3.773 -5.224 -23.376 168 2HG2 ILE 23 2HG2 ILE 23 2.404 -4.172 -23.732 169 3HG2 ILE 23 3HG2 ILE 23 4.026 -3.493 -23.599 170 1HD1 ILE 23 1HD1 ILE 23 4.754 -6.432 -20.491 171 2HD1 ILE 23 2HD1 ILE 23 4.637 -5.385 -19.076 172 3HD1 ILE 23 3HD1 ILE 23 3.181 -5.833 -19.965 173 H GLU 24 H GLU 24 0.266 -2.841 -20.955 174 HA GLU 24 HA GLU 24 -0.743 -2.519 -23.602 175 1HB GLU 24 1HB GLU 24 -1.727 -3.644 -21.340 176 2HB GLU 24 2HB GLU 24 -2.597 -2.116 -21.336 177 1HG GLU 24 1HG GLU 24 -2.632 -3.322 -23.954 178 2HG GLU 24 2HG GLU 24 -3.259 -4.425 -22.730 179 H ASP 25 H ASP 25 -0.213 -0.387 -20.897 180 HA ASP 25 HA ASP 25 -1.842 1.753 -21.855 181 1HB ASP 25 1HB ASP 25 -1.117 1.413 -19.458 182 2HB ASP 25 2HB ASP 25 0.486 1.959 -19.941 183 H ALA 26 H ALA 26 1.668 1.164 -21.851 184 HA ALA 26 HA ALA 26 2.420 3.497 -23.200 185 1HB ALA 26 1HB ALA 26 4.205 2.423 -22.234 186 2HB ALA 26 2HB ALA 26 3.685 0.829 -22.784 187 3HB ALA 26 3HB ALA 26 4.413 1.962 -23.924 188 H MET 27 H MET 27 1.640 0.267 -24.457 189 HA MET 27 HA MET 27 2.170 0.804 -27.158 190 1HB MET 27 1HB MET 27 1.065 -1.336 -25.620 191 2HB MET 27 2HB MET 27 0.015 -1.040 -26.999 192 1HG MET 27 1HG MET 27 2.525 -0.975 -28.111 193 2HG MET 27 2HG MET 27 2.662 -2.232 -26.884 194 1HE MET 27 1HE MET 27 -0.865 -2.014 -29.608 195 2HE MET 27 2HE MET 27 0.255 -0.710 -29.213 196 3HE MET 27 3HE MET 27 0.548 -1.728 -30.624 197 H ARG 28 H ARG 28 -0.830 1.069 -25.281 198 HA ARG 28 HA ARG 28 -2.601 1.714 -27.296 199 1HB ARG 28 1HB ARG 28 -3.443 1.348 -25.100 200 2HB ARG 28 2HB ARG 28 -2.460 2.644 -24.432 201 1HG ARG 28 1HG ARG 28 -4.036 4.152 -24.833 202 2HG ARG 28 2HG ARG 28 -4.206 3.625 -26.508 203 1HD ARG 28 1HD ARG 28 -5.733 1.891 -25.873 204 2HD ARG 28 2HD ARG 28 -5.444 2.200 -24.161 205 HE ARG 28 HE ARG 28 -6.392 4.555 -25.333 206 1HH1 ARG 28 1HH1 ARG 28 -7.496 1.343 -24.573 207 2HH1 ARG 28 2HH1 ARG 28 -9.151 1.816 -24.382 208 1HH2 ARG 28 1HH2 ARG 28 -8.568 5.191 -25.084 209 2HH2 ARG 28 2HH2 ARG 28 -9.760 4.005 -24.673 210 H LYS 29 H LYS 29 -0.710 4.001 -25.319 211 HA LYS 29 HA LYS 29 -1.474 6.267 -26.868 212 1HB LYS 29 1HB LYS 29 -0.088 5.788 -24.444 213 2HB LYS 29 2HB LYS 29 0.993 6.715 -25.476 214 1HG LYS 29 1HG LYS 29 -0.851 8.358 -25.811 215 2HG LYS 29 2HG LYS 29 -1.787 7.469 -24.608 216 1HD LYS 29 1HD LYS 29 0.910 8.115 -23.710 217 2HD LYS 29 2HD LYS 29 -0.050 9.544 -24.096 218 1HE LYS 29 1HE LYS 29 -1.870 8.592 -22.658 219 2HE LYS 29 2HE LYS 29 -0.735 7.339 -22.160 220 1HZ LYS 29 1HZ LYS 29 0.751 9.137 -21.377 221 2HZ LYS 29 2HZ LYS 29 -0.719 9.074 -20.542 222 3HZ LYS 29 3HZ LYS 29 -0.466 10.262 -21.720 223 H ALA 30 H ALA 30 1.039 3.897 -27.104 224 HA ALA 30 HA ALA 30 2.774 5.422 -28.794 225 1HB ALA 30 1HB ALA 30 3.601 2.958 -29.293 226 2HB ALA 30 2HB ALA 30 3.973 3.774 -27.774 227 3HB ALA 30 3HB ALA 30 2.650 2.610 -27.849 228 H GLY 31 H GLY 31 -0.109 3.625 -29.277 229 1HA GLY 31 1HA GLY 31 -1.392 3.408 -31.185 230 2HA GLY 31 2HA GLY 31 -0.168 4.318 -32.059 231 H VAL 32 H VAL 32 1.932 3.047 -32.414 232 HA VAL 32 HA VAL 32 2.902 1.374 -33.629 233 HB VAL 32 HB VAL 32 1.567 -0.820 -32.229 234 1HG1 VAL 32 1HG1 VAL 32 3.720 -1.643 -32.011 235 2HG1 VAL 32 2HG1 VAL 32 3.831 -0.688 -33.491 236 3HG1 VAL 32 3HG1 VAL 32 4.441 -0.034 -31.970 237 1HG2 VAL 32 1HG2 VAL 32 2.779 1.447 -30.672 238 2HG2 VAL 32 2HG2 VAL 32 1.217 0.665 -30.435 239 3HG2 VAL 32 3HG2 VAL 32 2.704 -0.197 -30.038 240 H ALA 33 H ALA 33 2.168 -1.144 -34.377 241 HA ALA 33 HA ALA 33 -0.489 -1.185 -35.474 242 1HB ALA 33 1HB ALA 33 0.470 0.311 -37.079 243 2HB ALA 33 2HB ALA 33 1.863 -0.747 -37.306 244 3HB ALA 33 3HB ALA 33 0.266 -1.265 -37.845 245 H HIS 34 H HIS 34 2.782 -2.523 -35.521 246 HA HIS 34 HA HIS 34 1.929 -5.102 -36.450 247 1HB HIS 34 1HB HIS 34 4.548 -4.412 -35.113 248 2HB HIS 34 2HB HIS 34 4.216 -5.775 -36.178 249 HD1 HIS 34 HD1 HIS 34 3.141 -4.665 -38.649 250 HD2 HIS 34 HD2 HIS 34 6.021 -2.613 -36.467 251 HE1 HIS 34 HE1 HIS 34 4.221 -3.085 -40.280 252 H SER 35 H SER 35 3.264 -6.887 -34.857 253 HA SER 35 HA SER 35 3.056 -8.162 -32.984 254 1HB SER 35 1HB SER 35 2.154 -5.739 -31.446 255 2HB SER 35 2HB SER 35 3.098 -7.118 -30.881 256 HG SER 35 HG SER 35 4.872 -6.329 -31.885 257 H LYS 36 H LYS 36 1.432 -8.901 -31.311 258 HA LYS 36 HA LYS 36 -1.196 -8.907 -32.554 259 1HB LYS 36 1HB LYS 36 0.212 -10.913 -31.486 260 2HB LYS 36 2HB LYS 36 -0.664 -10.415 -30.045 261 1HG LYS 36 1HG LYS 36 -2.120 -10.924 -32.607 262 2HG LYS 36 2HG LYS 36 -1.657 -12.258 -31.548 263 1HD LYS 36 1HD LYS 36 -2.772 -10.762 -29.701 264 2HD LYS 36 2HD LYS 36 -3.604 -10.044 -31.082 265 1HE LYS 36 1HE LYS 36 -4.215 -12.416 -31.753 266 2HE LYS 36 2HE LYS 36 -3.655 -12.906 -30.154 267 1HZ LYS 36 1HZ LYS 36 -5.720 -12.460 -29.497 268 2HZ LYS 36 2HZ LYS 36 -6.100 -11.617 -30.913 269 3HZ LYS 36 3HZ LYS 36 -5.320 -10.822 -29.640 270 H SER 37 H SER 37 -0.166 -8.746 -29.143 271 HA SER 37 HA SER 37 -1.576 -6.316 -28.647 272 1HB SER 37 1HB SER 37 -3.533 -7.738 -28.752 273 2HB SER 37 2HB SER 37 -2.795 -8.901 -27.651 274 HG SER 37 HG SER 37 -3.780 -6.318 -27.107 275 H SER 38 H SER 38 -1.599 -5.796 -26.271 276 HA SER 38 HA SER 38 0.928 -5.967 -25.181 277 1HB SER 38 1HB SER 38 -0.752 -4.322 -24.457 278 2HB SER 38 2HB SER 38 -1.680 -5.607 -23.683 279 HG SER 38 HG SER 38 0.998 -5.371 -22.967 280 H LYS 39 H LYS 39 -1.935 -7.868 -24.242 281 HA LYS 39 HA LYS 39 -0.806 -9.448 -22.286 282 1HB LYS 39 1HB LYS 39 -3.124 -9.623 -24.062 283 2HB LYS 39 2HB LYS 39 -2.502 -11.198 -23.585 284 1HG LYS 39 1HG LYS 39 -2.573 -9.615 -21.257 285 2HG LYS 39 2HG LYS 39 -4.106 -9.369 -22.097 286 1HD LYS 39 1HD LYS 39 -4.335 -11.231 -20.592 287 2HD LYS 39 2HD LYS 39 -4.356 -11.836 -22.251 288 1HE LYS 39 1HE LYS 39 -1.661 -11.803 -21.401 289 2HE LYS 39 2HE LYS 39 -2.606 -12.529 -20.102 290 1HZ LYS 39 1HZ LYS 39 -2.676 -14.389 -21.273 291 2HZ LYS 39 2HZ LYS 39 -1.833 -13.669 -22.550 292 3HZ LYS 39 3HZ LYS 39 -3.522 -13.597 -22.506 293 H ASP 40 H ASP 40 -0.889 -10.062 -25.786 294 HA ASP 40 HA ASP 40 0.523 -12.513 -25.665 295 1HB ASP 40 1HB ASP 40 -0.511 -10.737 -27.730 296 2HB ASP 40 2HB ASP 40 1.029 -11.461 -28.185 297 H MET 41 H MET 41 1.523 -9.162 -25.947 298 HA MET 41 HA MET 41 4.219 -9.653 -26.655 299 1HB MET 41 1HB MET 41 2.613 -7.352 -25.771 300 2HB MET 41 2HB MET 41 4.313 -7.267 -25.329 301 1HG MET 41 1HG MET 41 4.912 -6.755 -27.398 302 2HG MET 41 2HG MET 41 3.990 -8.098 -28.070 303 1HE MET 41 1HE MET 41 4.620 -5.526 -29.424 304 2HE MET 41 2HE MET 41 3.231 -4.506 -29.797 305 3HE MET 41 3HE MET 41 4.181 -4.203 -28.342 306 H GLU 42 H GLU 42 2.633 -9.076 -23.529 307 HA GLU 42 HA GLU 42 4.924 -9.120 -21.930 308 1HB GLU 42 1HB GLU 42 2.295 -8.707 -21.454 309 2HB GLU 42 2HB GLU 42 2.475 -10.324 -20.789 310 1HG GLU 42 1HG GLU 42 4.621 -8.599 -19.932 311 2HG GLU 42 2HG GLU 42 3.046 -7.917 -19.532 312 H SER 43 H SER 43 2.675 -11.771 -22.706 313 HA SER 43 HA SER 43 3.903 -13.808 -21.304 314 1HB SER 43 1HB SER 43 1.765 -14.176 -22.349 315 2HB SER 43 2HB SER 43 2.445 -13.906 -23.953 316 HG SER 43 HG SER 43 2.301 -16.102 -23.641 317 H HIS 44 H HIS 44 4.524 -12.806 -24.661 318 HA HIS 44 HA HIS 44 6.478 -14.666 -25.301 319 1HB HIS 44 1HB HIS 44 5.461 -13.127 -26.934 320 2HB HIS 44 2HB HIS 44 6.328 -11.781 -26.200 321 HD1 HIS 44 HD1 HIS 44 6.577 -14.119 -28.898 322 HD2 HIS 44 HD2 HIS 44 9.287 -12.244 -26.367 323 HE1 HIS 44 HE1 HIS 44 8.805 -14.294 -30.050 324 H VAL 45 H VAL 45 6.818 -11.526 -23.698 325 HA VAL 45 HA VAL 45 9.644 -11.566 -23.544 326 HB VAL 45 HB VAL 45 7.753 -10.133 -21.676 327 1HG1 VAL 45 1HG1 VAL 45 10.476 -10.374 -21.537 328 2HG1 VAL 45 2HG1 VAL 45 10.275 -8.866 -22.431 329 3HG1 VAL 45 3HG1 VAL 45 9.531 -9.057 -20.843 330 1HG2 VAL 45 1HG2 VAL 45 8.110 -9.808 -24.486 331 2HG2 VAL 45 2HG2 VAL 45 7.096 -8.875 -23.385 332 3HG2 VAL 45 3HG2 VAL 45 8.771 -8.396 -23.661 333 H PHE 46 H PHE 46 7.123 -12.407 -21.179 334 HA PHE 46 HA PHE 46 8.714 -13.058 -19.023 335 1HB PHE 46 1HB PHE 46 6.138 -13.029 -19.236 336 2HB PHE 46 2HB PHE 46 6.303 -14.708 -19.737 337 HD1 PHE 46 HD1 PHE 46 6.360 -12.387 -16.971 338 HD2 PHE 46 HD2 PHE 46 7.246 -16.374 -18.167 339 HE1 PHE 46 HE1 PHE 46 6.428 -13.076 -14.610 340 HE2 PHE 46 HE2 PHE 46 7.314 -17.070 -15.808 341 HZ PHE 46 HZ PHE 46 6.904 -15.421 -14.026 342 H LEU 47 H LEU 47 7.677 -15.187 -21.674 343 HA LEU 47 HA LEU 47 9.124 -17.448 -20.722 344 1HB LEU 47 1HB LEU 47 7.633 -16.736 -23.187 345 2HB LEU 47 2HB LEU 47 8.784 -18.068 -23.285 346 HG LEU 47 HG LEU 47 6.680 -18.043 -21.154 347 1HD1 LEU 47 1HD1 LEU 47 6.085 -17.945 -23.889 348 2HD1 LEU 47 2HD1 LEU 47 5.005 -18.382 -22.565 349 3HD1 LEU 47 3HD1 LEU 47 5.910 -19.635 -23.413 350 1HD2 LEU 47 1HD2 LEU 47 8.603 -19.941 -22.323 351 2HD2 LEU 47 2HD2 LEU 47 6.999 -20.593 -21.984 352 3HD2 LEU 47 3HD2 LEU 47 7.941 -19.850 -20.690 353 H LYS 48 H LYS 48 9.919 -14.703 -22.676 354 HA LYS 48 HA LYS 48 12.312 -15.881 -23.786 355 1HB LYS 48 1HB LYS 48 10.996 -14.169 -25.009 356 2HB LYS 48 2HB LYS 48 11.415 -12.993 -23.770 357 1HG LYS 48 1HG LYS 48 13.588 -12.818 -24.473 358 2HG LYS 48 2HG LYS 48 13.604 -14.435 -25.180 359 1HD LYS 48 1HD LYS 48 12.487 -13.739 -27.101 360 2HD LYS 48 2HD LYS 48 11.861 -12.282 -26.325 361 1HE LYS 48 1HE LYS 48 14.509 -11.831 -26.123 362 2HE LYS 48 2HE LYS 48 14.474 -12.788 -27.603 363 1HZ LYS 48 1HZ LYS 48 13.466 -10.110 -27.103 364 2HZ LYS 48 2HZ LYS 48 12.491 -11.089 -28.078 365 3HZ LYS 48 3HZ LYS 48 14.095 -10.784 -28.521 366 H ALA 49 H ALA 49 11.457 -14.523 -20.836 367 HA ALA 49 HA ALA 49 14.152 -13.532 -20.266 368 1HB ALA 49 1HB ALA 49 11.491 -12.961 -19.250 369 2HB ALA 49 2HB ALA 49 12.670 -13.213 -17.962 370 3HB ALA 49 3HB ALA 49 12.958 -11.984 -19.194 371 H LYS 50 H LYS 50 15.402 -14.328 -18.555 372 HA LYS 50 HA LYS 50 14.800 -17.107 -17.842 373 1HB LYS 50 1HB LYS 50 17.249 -15.582 -18.365 374 2HB LYS 50 2HB LYS 50 17.353 -16.613 -16.944 375 1HG LYS 50 1HG LYS 50 18.137 -17.945 -18.684 376 2HG LYS 50 2HG LYS 50 16.470 -18.476 -18.452 377 1HD LYS 50 1HD LYS 50 15.738 -17.452 -20.400 378 2HD LYS 50 2HD LYS 50 17.102 -16.332 -20.442 379 1HE LYS 50 1HE LYS 50 18.513 -17.873 -21.379 380 2HE LYS 50 2HE LYS 50 17.659 -19.245 -20.675 381 1HZ LYS 50 1HZ LYS 50 16.476 -19.474 -22.518 382 2HZ LYS 50 2HZ LYS 50 17.434 -18.289 -23.252 383 3HZ LYS 50 3HZ LYS 50 15.986 -17.855 -22.492 384 H THR 51 H THR 51 15.151 -13.940 -16.501 385 HA THR 51 HA THR 51 14.350 -14.962 -13.893 386 HB THR 51 HB THR 51 16.045 -13.741 -12.663 387 HG1 THR 51 HG1 THR 51 17.349 -13.158 -15.116 388 1HG2 THR 51 1HG2 THR 51 17.991 -15.079 -13.191 389 2HG2 THR 51 2HG2 THR 51 17.364 -15.412 -14.805 390 3HG2 THR 51 3HG2 THR 51 16.540 -16.060 -13.388 391 H ARG 52 H ARG 52 13.919 -13.058 -12.362 392 HA ARG 52 HA ARG 52 11.957 -11.420 -13.451 393 1HB ARG 52 1HB ARG 52 12.002 -10.204 -11.336 394 2HB ARG 52 2HB ARG 52 12.125 -11.936 -11.055 395 1HG ARG 52 1HG ARG 52 14.745 -11.229 -11.187 396 2HG ARG 52 2HG ARG 52 14.024 -9.790 -10.464 397 1HD ARG 52 1HD ARG 52 13.029 -11.127 -8.711 398 2HD ARG 52 2HD ARG 52 13.619 -12.607 -9.467 399 HE ARG 52 HE ARG 52 15.692 -10.727 -8.798 400 1HH1 ARG 52 1HH1 ARG 52 13.732 -13.369 -7.660 401 2HH1 ARG 52 2HH1 ARG 52 14.859 -13.849 -6.434 402 1HH2 ARG 52 1HH2 ARG 52 17.184 -11.349 -7.188 403 2HH2 ARG 52 2HH2 ARG 52 16.822 -12.698 -6.167 404 H ASP 53 H ASP 53 15.388 -10.992 -13.309 405 HA ASP 53 HA ASP 53 15.380 -8.161 -13.743 406 1HB ASP 53 1HB ASP 53 17.293 -10.063 -13.040 407 2HB ASP 53 2HB ASP 53 17.792 -9.514 -14.637 408 H GLU 54 H GLU 54 16.089 -10.966 -15.824 409 HA GLU 54 HA GLU 54 16.582 -9.646 -18.194 410 1HB GLU 54 1HB GLU 54 16.789 -12.116 -17.771 411 2HB GLU 54 2HB GLU 54 15.046 -12.236 -17.963 412 1HG GLU 54 1HG GLU 54 15.126 -11.801 -20.223 413 2HG GLU 54 2HG GLU 54 16.686 -10.987 -20.117 414 H TYR 55 H TYR 55 13.440 -10.772 -16.963 415 HA TYR 55 HA TYR 55 11.904 -9.831 -19.124 416 1HB TYR 55 1HB TYR 55 10.923 -11.440 -17.665 417 2HB TYR 55 2HB TYR 55 11.201 -10.429 -16.251 418 HD1 TYR 55 HD1 TYR 55 9.209 -10.715 -19.363 419 HD2 TYR 55 HD2 TYR 55 9.601 -8.831 -15.568 420 HE1 TYR 55 HE1 TYR 55 6.952 -9.768 -19.606 421 HE2 TYR 55 HE2 TYR 55 7.345 -7.880 -15.800 422 HH TYR 55 HH TYR 55 5.783 -7.477 -18.439 423 H LEU 56 H LEU 56 12.249 -8.427 -15.860 424 HA LEU 56 HA LEU 56 10.888 -6.071 -16.268 425 1HB LEU 56 1HB LEU 56 13.135 -6.876 -14.494 426 2HB LEU 56 2HB LEU 56 12.722 -5.166 -14.593 427 HG LEU 56 HG LEU 56 10.551 -7.124 -14.016 428 1HD1 LEU 56 1HD1 LEU 56 11.762 -7.960 -12.312 429 2HD1 LEU 56 2HD1 LEU 56 11.307 -6.453 -11.520 430 3HD1 LEU 56 3HD1 LEU 56 12.883 -6.599 -12.296 431 1HD2 LEU 56 1HD2 LEU 56 9.495 -5.170 -13.865 432 2HD2 LEU 56 2HD2 LEU 56 11.009 -4.265 -13.890 433 3HD2 LEU 56 3HD2 LEU 56 10.388 -4.904 -12.367 434 H SER 57 H SER 57 14.099 -6.949 -17.315 435 HA SER 57 HA SER 57 14.931 -4.302 -17.997 436 1HB SER 57 1HB SER 57 16.516 -6.169 -17.527 437 2HB SER 57 2HB SER 57 16.007 -6.936 -19.031 438 HG SER 57 HG SER 57 17.553 -4.645 -18.627 439 H LEU 58 H LEU 58 13.975 -7.104 -19.987 440 HA LEU 58 HA LEU 58 13.956 -5.771 -22.443 441 1HB LEU 58 1HB LEU 58 12.339 -8.137 -21.513 442 2HB LEU 58 2HB LEU 58 12.451 -7.605 -23.189 443 HG LEU 58 HG LEU 58 14.637 -8.775 -21.478 444 1HD1 LEU 58 1HD1 LEU 58 14.513 -10.097 -23.886 445 2HD1 LEU 58 2HD1 LEU 58 12.819 -9.780 -23.514 446 3HD1 LEU 58 3HD1 LEU 58 13.827 -10.654 -22.360 447 1HD2 LEU 58 1HD2 LEU 58 14.766 -7.142 -23.951 448 2HD2 LEU 58 2HD2 LEU 58 15.821 -8.551 -23.844 449 3HD2 LEU 58 3HD2 LEU 58 15.917 -7.282 -22.622 450 H VAL 59 H VAL 59 11.436 -6.153 -20.003 451 HA VAL 59 HA VAL 59 9.294 -5.095 -21.480 452 HB VAL 59 HB VAL 59 9.744 -4.989 -18.494 453 1HG1 VAL 59 1HG1 VAL 59 7.285 -4.539 -20.172 454 2HG1 VAL 59 2HG1 VAL 59 7.236 -4.855 -18.437 455 3HG1 VAL 59 3HG1 VAL 59 8.050 -3.415 -19.050 456 1HG2 VAL 59 1HG2 VAL 59 7.830 -6.917 -19.562 457 2HG2 VAL 59 2HG2 VAL 59 9.491 -7.216 -20.074 458 3HG2 VAL 59 3HG2 VAL 59 9.100 -7.129 -18.356 459 H ALA 60 H ALA 60 11.424 -3.501 -19.105 460 HA ALA 60 HA ALA 60 10.416 -0.945 -19.222 461 1HB ALA 60 1HB ALA 60 12.910 -0.284 -18.824 462 2HB ALA 60 2HB ALA 60 12.034 -1.217 -17.609 463 3HB ALA 60 3HB ALA 60 13.148 -2.028 -18.709 464 H ARG 61 H ARG 61 13.123 -2.191 -21.189 465 HA ARG 61 HA ARG 61 13.539 0.019 -22.781 466 1HB ARG 61 1HB ARG 61 14.425 -2.633 -22.734 467 2HB ARG 61 2HB ARG 61 13.749 -2.412 -24.342 468 1HG ARG 61 1HG ARG 61 15.346 -0.922 -24.963 469 2HG ARG 61 2HG ARG 61 15.564 -0.305 -23.324 470 1HD ARG 61 1HD ARG 61 17.389 -1.561 -23.157 471 2HD ARG 61 2HD ARG 61 16.357 -2.988 -23.238 472 HE ARG 61 HE ARG 61 16.881 -2.035 -25.840 473 1HH1 ARG 61 1HH1 ARG 61 18.429 -3.658 -23.178 474 2HH1 ARG 61 2HH1 ARG 61 19.562 -4.502 -24.182 475 1HH2 ARG 61 1HH2 ARG 61 18.366 -3.141 -27.172 476 2HH2 ARG 61 2HH2 ARG 61 19.526 -4.207 -26.453 477 H LEU 62 H LEU 62 11.197 -2.597 -23.229 478 HA LEU 62 HA LEU 62 10.232 -1.797 -25.743 479 1HB LEU 62 1HB LEU 62 9.724 -3.977 -24.957 480 2HB LEU 62 2HB LEU 62 8.973 -3.345 -23.493 481 HG LEU 62 HG LEU 62 7.641 -2.410 -25.900 482 1HD1 LEU 62 1HD1 LEU 62 8.133 -4.403 -26.986 483 2HD1 LEU 62 2HD1 LEU 62 6.573 -4.729 -26.232 484 3HD1 LEU 62 3HD1 LEU 62 8.053 -5.349 -25.500 485 1HD2 LEU 62 1HD2 LEU 62 6.361 -2.132 -24.040 486 2HD2 LEU 62 2HD2 LEU 62 6.983 -3.585 -23.256 487 3HD2 LEU 62 3HD2 LEU 62 5.777 -3.721 -24.536 488 H ILE 63 H ILE 63 8.977 -1.127 -22.479 489 HA ILE 63 HA ILE 63 6.824 0.483 -23.267 490 HB ILE 63 HB ILE 63 8.417 0.381 -20.716 491 1HG1 ILE 63 1HG1 ILE 63 5.565 -0.408 -21.341 492 2HG1 ILE 63 2HG1 ILE 63 6.925 -1.526 -21.314 493 1HG2 ILE 63 1HG2 ILE 63 6.161 1.684 -19.994 494 2HG2 ILE 63 2HG2 ILE 63 7.693 2.480 -20.352 495 3HG2 ILE 63 3HG2 ILE 63 6.444 2.376 -21.592 496 1HD1 ILE 63 1HD1 ILE 63 5.577 -0.129 -19.053 497 2HD1 ILE 63 2HD1 ILE 63 5.997 -1.833 -19.237 498 3HD1 ILE 63 3HD1 ILE 63 7.256 -0.646 -18.897 499 H ILE 64 H ILE 64 10.111 1.400 -22.257 500 HA ILE 64 HA ILE 64 9.845 4.158 -22.467 501 HB ILE 64 HB ILE 64 12.262 2.418 -22.945 502 1HG1 ILE 64 1HG1 ILE 64 12.197 4.178 -20.612 503 2HG1 ILE 64 2HG1 ILE 64 10.880 3.009 -20.621 504 1HG2 ILE 64 1HG2 ILE 64 12.786 4.395 -24.088 505 2HG2 ILE 64 2HG2 ILE 64 11.992 5.406 -22.881 506 3HG2 ILE 64 3HG2 ILE 64 13.511 4.599 -22.493 507 1HD1 ILE 64 1HD1 ILE 64 13.171 1.569 -21.314 508 2HD1 ILE 64 2HD1 ILE 64 13.645 2.631 -19.988 509 3HD1 ILE 64 3HD1 ILE 64 12.286 1.525 -19.789 510 H HIS 65 H HIS 65 10.737 1.787 -24.945 511 HA HIS 65 HA HIS 65 11.290 3.609 -27.008 512 1HB HIS 65 1HB HIS 65 11.409 0.885 -26.737 513 2HB HIS 65 2HB HIS 65 10.068 1.077 -27.861 514 HD1 HIS 65 HD1 HIS 65 13.042 -0.048 -28.450 515 HD2 HIS 65 HD2 HIS 65 11.483 3.655 -29.508 516 HE1 HIS 65 HE1 HIS 65 14.418 0.726 -30.407 517 H PHE 66 H PHE 66 8.283 2.175 -25.889 518 HA PHE 66 HA PHE 66 6.682 3.025 -28.069 519 1HB PHE 66 1HB PHE 66 6.132 2.041 -25.296 520 2HB PHE 66 2HB PHE 66 4.822 2.755 -26.230 521 HD1 PHE 66 HD1 PHE 66 5.198 1.822 -28.899 522 HD2 PHE 66 HD2 PHE 66 5.868 -0.236 -25.234 523 HE1 PHE 66 HE1 PHE 66 4.843 -0.327 -30.044 524 HE2 PHE 66 HE2 PHE 66 5.515 -2.388 -26.373 525 HZ PHE 66 HZ PHE 66 5.002 -2.435 -28.782 526 H ARG 67 H ARG 67 7.241 4.378 -24.831 527 HA ARG 67 HA ARG 67 5.537 6.580 -25.042 528 1HB ARG 67 1HB ARG 67 8.104 6.243 -23.485 529 2HB ARG 67 2HB ARG 67 7.008 7.603 -23.287 530 1HG ARG 67 1HG ARG 67 5.548 6.415 -22.071 531 2HG ARG 67 2HG ARG 67 5.742 4.969 -23.064 532 1HD ARG 67 1HD ARG 67 6.571 4.440 -20.903 533 2HD ARG 67 2HD ARG 67 7.971 4.632 -21.958 534 HE ARG 67 HE ARG 67 8.630 6.423 -20.696 535 1HH1 ARG 67 1HH1 ARG 67 5.299 5.697 -19.991 536 2HH1 ARG 67 2HH1 ARG 67 5.199 6.812 -18.669 537 1HH2 ARG 67 1HH2 ARG 67 8.511 7.895 -18.958 538 2HH2 ARG 67 2HH2 ARG 67 7.027 8.063 -18.083 539 H ASP 68 H ASP 68 8.886 6.153 -26.058 540 HA ASP 68 HA ASP 68 9.415 8.840 -26.719 541 1HB ASP 68 1HB ASP 68 11.228 7.256 -26.473 542 2HB ASP 68 2HB ASP 68 10.603 6.277 -27.797 543 H ILE 69 H ILE 69 8.355 6.109 -28.738 544 HA ILE 69 HA ILE 69 8.241 7.368 -31.189 545 HB ILE 69 HB ILE 69 6.318 5.299 -30.117 546 1HG1 ILE 69 1HG1 ILE 69 8.532 4.657 -32.002 547 2HG1 ILE 69 2HG1 ILE 69 8.960 4.964 -30.323 548 1HG2 ILE 69 1HG2 ILE 69 5.213 5.969 -31.995 549 2HG2 ILE 69 2HG2 ILE 69 6.682 6.526 -32.795 550 3HG2 ILE 69 3HG2 ILE 69 6.322 4.802 -32.715 551 1HD1 ILE 69 1HD1 ILE 69 8.571 2.790 -30.040 552 2HD1 ILE 69 2HD1 ILE 69 6.865 3.239 -30.068 553 3HD1 ILE 69 3HD1 ILE 69 7.650 2.662 -31.539 554 H HIS 70 H HIS 70 5.720 7.239 -28.688 555 HA HIS 70 HA HIS 70 3.826 8.770 -30.140 556 1HB HIS 70 1HB HIS 70 3.165 7.305 -28.292 557 2HB HIS 70 2HB HIS 70 4.067 8.307 -27.159 558 HD1 HIS 70 HD1 HIS 70 2.269 10.293 -29.637 559 HD2 HIS 70 HD2 HIS 70 1.444 8.611 -25.928 560 HE1 HIS 70 HE1 HIS 70 0.194 11.455 -28.818 561 H ASN 71 H ASN 71 6.151 9.609 -27.589 562 HA ASN 71 HA ASN 71 5.464 12.313 -27.349 563 1HB ASN 71 1HB ASN 71 7.651 10.582 -26.490 564 2HB ASN 71 2HB ASN 71 8.187 12.224 -26.830 565 1HD2 ASN 71 1HD2 ASN 71 5.870 10.318 -24.995 566 2HD2 ASN 71 2HD2 ASN 71 5.668 11.460 -23.714 567 H LYS 72 H LYS 72 7.312 10.621 -29.741 568 HA LYS 72 HA LYS 72 8.343 11.274 -31.660 569 1HB LYS 72 1HB LYS 72 6.477 13.613 -31.262 570 2HB LYS 72 2HB LYS 72 7.468 13.408 -32.700 571 1HG LYS 72 1HG LYS 72 6.350 11.307 -33.195 572 2HG LYS 72 2HG LYS 72 5.380 11.467 -31.728 573 1HD LYS 72 1HD LYS 72 5.338 13.721 -33.661 574 2HD LYS 72 2HD LYS 72 4.490 12.240 -34.112 575 1HE LYS 72 1HE LYS 72 2.782 12.842 -32.829 576 2HE LYS 72 2HE LYS 72 3.838 12.805 -31.418 577 1HZ LYS 72 1HZ LYS 72 2.835 14.953 -31.585 578 2HZ LYS 72 2HZ LYS 72 3.329 15.129 -33.193 579 3HZ LYS 72 3HZ LYS 72 4.479 15.114 -31.952 580 H LYS 73 H LYS 73 10.422 11.455 -30.817 581 HA LYS 73 HA LYS 73 11.494 13.530 -29.346 582 1HB LYS 73 1HB LYS 73 12.481 11.237 -30.412 583 2HB LYS 73 2HB LYS 73 13.265 12.430 -31.439 584 1HG LYS 73 1HG LYS 73 14.777 12.778 -29.867 585 2HG LYS 73 2HG LYS 73 13.508 13.324 -28.768 586 1HD LYS 73 1HD LYS 73 13.276 11.226 -27.795 587 2HD LYS 73 2HD LYS 73 14.012 10.399 -29.169 588 1HE LYS 73 1HE LYS 73 15.929 12.208 -28.140 589 2HE LYS 73 2HE LYS 73 15.238 11.339 -26.770 590 1HZ LYS 73 1HZ LYS 73 16.034 9.809 -29.140 591 2HZ LYS 73 2HZ LYS 73 16.030 9.348 -27.512 592 3HZ LYS 73 3HZ LYS 73 17.247 10.366 -28.100 593 H SER 74 H SER 74 12.412 15.494 -29.792 594 HA SER 74 HA SER 74 12.496 16.415 -32.564 595 1HB SER 74 1HB SER 74 11.060 17.948 -30.383 596 2HB SER 74 2HB SER 74 11.268 18.462 -32.057 597 HG SER 74 HG SER 74 9.246 17.203 -31.195 598 H GLN 75 H GLN 75 13.169 17.120 -29.162 599 HA GLN 75 HA GLN 75 15.789 18.129 -29.908 600 1HB GLN 75 1HB GLN 75 15.448 20.153 -28.416 601 2HB GLN 75 2HB GLN 75 14.628 20.190 -29.971 602 1HG GLN 75 1HG GLN 75 12.585 20.176 -29.045 603 2HG GLN 75 2HG GLN 75 13.058 19.069 -27.758 604 1HE2 GLN 75 1HE2 GLN 75 13.464 19.861 -25.792 605 2HE2 GLN 75 2HE2 GLN 75 13.511 21.540 -25.389 606 H ALA 76 H ALA 76 16.605 16.322 -28.832 607 HA ALA 76 HA ALA 76 16.217 16.313 -25.910 608 1HB ALA 76 1HB ALA 76 15.740 14.250 -27.632 609 2HB ALA 76 2HB ALA 76 17.378 13.898 -27.081 610 3HB ALA 76 3HB ALA 76 16.074 14.079 -25.909 611 H SER 77 H SER 77 18.234 15.026 -24.908 612 HA SER 77 HA SER 77 20.651 16.361 -25.943 613 1HB SER 77 1HB SER 77 20.848 15.693 -23.138 614 2HB SER 77 2HB SER 77 21.019 17.263 -23.924 615 HG SER 77 HG SER 77 19.188 17.714 -23.012 616 H VAL 78 H VAL 78 19.890 13.784 -23.596 617 HA VAL 78 HA VAL 78 20.750 11.698 -23.292 618 HB VAL 78 HB VAL 78 21.372 11.786 -26.246 619 1HG1 VAL 78 1HG1 VAL 78 20.541 9.248 -25.137 620 2HG1 VAL 78 2HG1 VAL 78 21.980 9.651 -26.075 621 3HG1 VAL 78 3HG1 VAL 78 21.976 9.871 -24.325 622 1HG2 VAL 78 1HG2 VAL 78 19.157 10.658 -26.492 623 2HG2 VAL 78 2HG2 VAL 78 18.830 11.045 -24.803 624 3HG2 VAL 78 3HG2 VAL 78 19.059 12.342 -25.976 Start of MODEL 12 1 1H GLY 2 HT1 GLY 2 -1.063 -5.426 -7.895 2 1HA GLY 2 1HA GLY 2 -3.816 -5.005 -6.980 3 2HA GLY 2 2HA GLY 2 -2.965 -6.542 -7.020 4 H ALA 3 H ALA 3 -1.364 -6.966 -5.393 5 HA ALA 3 HA ALA 3 -1.002 -5.196 -3.183 6 1HB ALA 3 1HB ALA 3 -2.085 -6.781 -1.516 7 2HB ALA 3 2HB ALA 3 -3.169 -5.787 -2.490 8 3HB ALA 3 3HB ALA 3 -2.926 -7.486 -2.897 9 H MET 4 H MET 4 1.062 -5.564 -2.730 10 HA MET 4 HA MET 4 2.004 -8.068 -1.821 11 1HB MET 4 1HB MET 4 3.647 -8.528 -3.611 12 2HB MET 4 2HB MET 4 1.985 -8.684 -4.166 13 1HG MET 4 1HG MET 4 2.558 -7.382 -5.863 14 2HG MET 4 2HG MET 4 2.602 -6.053 -4.707 15 1HE MET 4 1HE MET 4 4.348 -9.036 -5.972 16 2HE MET 4 2HE MET 4 5.343 -8.167 -7.141 17 3HE MET 4 3HE MET 4 6.064 -8.779 -5.651 18 H GLY 5 H GLY 5 4.408 -8.016 -1.422 19 1HA GLY 5 1HA GLY 5 5.180 -5.252 -0.749 20 2HA GLY 5 2HA GLY 5 5.721 -6.689 0.107 21 H GLN 6 H GLN 6 7.762 -7.207 -0.258 22 HA GLN 6 HA GLN 6 8.858 -6.857 -2.955 23 1HB GLN 6 1HB GLN 6 9.507 -5.197 -0.789 24 2HB GLN 6 2HB GLN 6 10.867 -6.299 -0.955 25 1HG GLN 6 1HG GLN 6 11.080 -5.677 -3.310 26 2HG GLN 6 2HG GLN 6 9.725 -4.563 -3.132 27 1HE2 GLN 6 1HE2 GLN 6 13.049 -5.194 -2.315 28 2HE2 GLN 6 2HE2 GLN 6 13.435 -3.593 -1.795 29 H GLU 7 H GLU 7 9.208 -8.916 -3.519 30 HA GLU 7 HA GLU 7 10.933 -10.525 -1.774 31 1HB GLU 7 1HB GLU 7 8.215 -11.050 -2.172 32 2HB GLU 7 2HB GLU 7 9.052 -12.185 -3.223 33 1HG GLU 7 1HG GLU 7 9.816 -13.403 -1.512 34 2HG GLU 7 2HG GLU 7 10.178 -11.984 -0.531 35 H THR 8 H THR 8 11.545 -12.631 -3.109 36 HA THR 8 HA THR 8 12.674 -11.630 -5.615 37 HB THR 8 HB THR 8 14.229 -13.474 -5.510 38 HG1 THR 8 HG1 THR 8 14.038 -15.093 -3.996 39 1HG2 THR 8 1HG2 THR 8 13.860 -12.125 -2.835 40 2HG2 THR 8 2HG2 THR 8 14.859 -11.571 -4.179 41 3HG2 THR 8 3HG2 THR 8 15.297 -13.035 -3.300 42 H ASP 9 H ASP 9 9.855 -12.488 -5.339 43 HA ASP 9 HA ASP 9 9.862 -14.771 -7.201 44 1HB ASP 9 1HB ASP 9 7.516 -13.823 -5.553 45 2HB ASP 9 2HB ASP 9 7.675 -15.344 -6.428 46 H TRP 10 H TRP 10 10.435 -12.897 -8.721 47 HA TRP 10 HA TRP 10 8.556 -10.950 -9.436 48 1HB TRP 10 1HB TRP 10 9.819 -10.693 -11.480 49 2HB TRP 10 2HB TRP 10 10.943 -10.978 -10.155 50 HD1 TRP 10 HD1 TRP 10 11.672 -13.749 -9.949 51 HE1 TRP 10 HE1 TRP 10 12.376 -15.290 -11.887 52 HE3 TRP 10 HE3 TRP 10 9.635 -11.138 -13.844 53 HZ2 TRP 10 HZ2 TRP 10 12.104 -15.386 -14.695 54 HZ3 TRP 10 HZ3 TRP 10 9.903 -12.023 -16.125 55 HH2 TRP 10 HH2 TRP 10 11.112 -14.102 -16.539 56 H ARG 11 H ARG 11 8.588 -14.333 -9.983 57 HA ARG 11 HA ARG 11 6.996 -14.404 -12.337 58 1HB ARG 11 1HB ARG 11 7.257 -16.529 -10.203 59 2HB ARG 11 2HB ARG 11 6.712 -16.763 -11.858 60 1HG ARG 11 1HG ARG 11 8.982 -15.981 -12.604 61 2HG ARG 11 2HG ARG 11 9.476 -16.066 -10.911 62 1HD ARG 11 1HD ARG 11 8.153 -18.492 -11.586 63 2HD ARG 11 2HD ARG 11 9.358 -18.154 -12.828 64 HE ARG 11 HE ARG 11 11.019 -18.524 -11.283 65 1HH1 ARG 11 1HH1 ARG 11 7.948 -18.268 -9.662 66 2HH1 ARG 11 2HH1 ARG 11 8.564 -18.801 -8.133 67 1HH2 ARG 11 1HH2 ARG 11 11.841 -19.228 -9.276 68 2HH2 ARG 11 2HH2 ARG 11 10.778 -19.346 -7.914 69 H SER 12 H SER 12 6.286 -13.539 -9.170 70 HA SER 12 HA SER 12 3.764 -14.572 -8.683 71 1HB SER 12 1HB SER 12 4.483 -13.390 -6.862 72 2HB SER 12 2HB SER 12 5.232 -12.130 -7.842 73 HG SER 12 HG SER 12 2.659 -12.315 -6.850 74 H THR 13 H THR 13 1.726 -14.119 -9.337 75 HA THR 13 HA THR 13 1.222 -13.072 -11.843 76 HB THR 13 HB THR 13 -0.856 -12.920 -9.677 77 HG1 THR 13 HG1 THR 13 0.376 -15.205 -10.788 78 1HG2 THR 13 1HG2 THR 13 -2.280 -13.785 -11.559 79 2HG2 THR 13 2HG2 THR 13 -0.886 -13.579 -12.620 80 3HG2 THR 13 3HG2 THR 13 -1.602 -12.179 -11.823 81 H ALA 14 H ALA 14 0.860 -11.467 -8.691 82 HA ALA 14 HA ALA 14 -0.167 -9.040 -9.552 83 1HB ALA 14 1HB ALA 14 0.898 -10.094 -7.149 84 2HB ALA 14 2HB ALA 14 1.659 -8.528 -7.433 85 3HB ALA 14 3HB ALA 14 -0.099 -8.656 -7.370 86 H PHE 15 H PHE 15 3.181 -10.151 -9.445 87 HA PHE 15 HA PHE 15 4.408 -7.695 -10.056 88 1HB PHE 15 1HB PHE 15 5.412 -10.005 -9.286 89 2HB PHE 15 2HB PHE 15 5.574 -10.278 -11.018 90 HD1 PHE 15 HD1 PHE 15 6.672 -8.246 -12.325 91 HD2 PHE 15 HD2 PHE 15 7.178 -9.058 -8.178 92 HE1 PHE 15 HE1 PHE 15 8.769 -6.959 -12.332 93 HE2 PHE 15 HE2 PHE 15 9.275 -7.772 -8.178 94 HZ PHE 15 HZ PHE 15 10.073 -6.720 -10.257 95 H ARG 16 H ARG 16 4.047 -10.478 -12.258 96 HA ARG 16 HA ARG 16 4.615 -9.102 -14.604 97 1HB ARG 16 1HB ARG 16 4.459 -11.603 -14.295 98 2HB ARG 16 2HB ARG 16 2.711 -11.434 -14.392 99 1HG ARG 16 1HG ARG 16 3.351 -10.167 -16.638 100 2HG ARG 16 2HG ARG 16 4.761 -11.221 -16.513 101 1HD ARG 16 1HD ARG 16 1.861 -12.029 -16.615 102 2HD ARG 16 2HD ARG 16 3.110 -12.352 -17.817 103 HE ARG 16 HE ARG 16 3.953 -13.497 -15.433 104 1HH1 ARG 16 1HH1 ARG 16 1.341 -13.859 -17.705 105 2HH1 ARG 16 2HH1 ARG 16 1.127 -15.549 -17.389 106 1HH2 ARG 16 1HH2 ARG 16 3.682 -15.721 -15.008 107 2HH2 ARG 16 2HH2 ARG 16 2.459 -16.607 -15.854 108 H GLN 17 H GLN 17 1.536 -9.570 -12.944 109 HA GLN 17 HA GLN 17 -0.194 -8.602 -14.891 110 1HB GLN 17 1HB GLN 17 -0.944 -9.679 -12.813 111 2HB GLN 17 2HB GLN 17 -0.408 -8.280 -11.893 112 1HG GLN 17 1HG GLN 17 -2.421 -7.993 -14.086 113 2HG GLN 17 2HG GLN 17 -2.901 -8.512 -12.471 114 1HE2 GLN 17 1HE2 GLN 17 -3.165 -5.984 -14.234 115 2HE2 GLN 17 2HE2 GLN 17 -2.816 -4.705 -13.127 116 H LYS 18 H LYS 18 1.085 -6.750 -12.121 117 HA LYS 18 HA LYS 18 0.193 -4.250 -12.864 118 1HB LYS 18 1HB LYS 18 2.403 -5.271 -11.179 119 2HB LYS 18 2HB LYS 18 2.542 -3.597 -11.699 120 1HG LYS 18 1HG LYS 18 0.631 -2.948 -10.556 121 2HG LYS 18 2HG LYS 18 0.012 -4.598 -10.458 122 1HD LYS 18 1HD LYS 18 0.773 -4.416 -8.328 123 2HD LYS 18 2HD LYS 18 2.286 -4.916 -9.087 124 1HE LYS 18 1HE LYS 18 2.834 -3.062 -7.740 125 2HE LYS 18 2HE LYS 18 2.783 -2.449 -9.392 126 1HZ LYS 18 1HZ LYS 18 0.261 -2.050 -8.596 127 2HZ LYS 18 2HZ LYS 18 1.481 -0.884 -8.490 128 3HZ LYS 18 3HZ LYS 18 1.085 -1.819 -7.137 129 H LEU 19 H LEU 19 3.286 -5.785 -13.715 130 HA LEU 19 HA LEU 19 4.343 -3.672 -15.210 131 1HB LEU 19 1HB LEU 19 4.777 -6.624 -15.168 132 2HB LEU 19 2HB LEU 19 5.523 -5.659 -16.439 133 HG LEU 19 HG LEU 19 6.739 -6.251 -14.128 134 1HD1 LEU 19 1HD1 LEU 19 6.975 -3.747 -15.779 135 2HD1 LEU 19 2HD1 LEU 19 7.885 -5.248 -15.949 136 3HD1 LEU 19 3HD1 LEU 19 8.144 -4.214 -14.544 137 1HD2 LEU 19 1HD2 LEU 19 5.518 -3.540 -13.630 138 2HD2 LEU 19 2HD2 LEU 19 6.653 -4.404 -12.594 139 3HD2 LEU 19 3HD2 LEU 19 5.018 -5.027 -12.822 140 H VAL 20 H VAL 20 2.273 -6.374 -16.180 141 HA VAL 20 HA VAL 20 2.289 -5.969 -18.936 142 HB VAL 20 HB VAL 20 0.251 -7.139 -17.071 143 1HG1 VAL 20 1HG1 VAL 20 -0.743 -7.921 -19.418 144 2HG1 VAL 20 2HG1 VAL 20 -1.303 -6.468 -18.587 145 3HG1 VAL 20 3HG1 VAL 20 -0.130 -6.339 -19.898 146 1HG2 VAL 20 1HG2 VAL 20 0.985 -8.933 -19.078 147 2HG2 VAL 20 2HG2 VAL 20 2.472 -8.087 -18.650 148 3HG2 VAL 20 3HG2 VAL 20 1.543 -8.921 -17.405 149 H SER 21 H SER 21 0.210 -4.541 -16.445 150 HA SER 21 HA SER 21 -1.499 -3.126 -18.161 151 1HB SER 21 1HB SER 21 -1.796 -3.535 -15.666 152 2HB SER 21 2HB SER 21 -0.675 -2.199 -15.407 153 HG SER 21 HG SER 21 -2.945 -1.891 -17.049 154 H GLN 22 H GLN 22 1.561 -2.199 -16.637 155 HA GLN 22 HA GLN 22 1.632 0.477 -17.386 156 1HB GLN 22 1HB GLN 22 3.942 -1.457 -17.136 157 2HB GLN 22 2HB GLN 22 4.086 0.295 -17.174 158 1HG GLN 22 1HG GLN 22 2.965 -1.458 -15.030 159 2HG GLN 22 2HG GLN 22 4.217 -0.222 -14.920 160 1HE2 GLN 22 1HE2 GLN 22 3.523 2.016 -15.227 161 2HE2 GLN 22 2HE2 GLN 22 1.955 2.482 -14.673 162 H ILE 23 H ILE 23 3.011 -2.323 -19.107 163 HA ILE 23 HA ILE 23 3.963 -0.940 -21.335 164 HB ILE 23 HB ILE 23 2.996 -3.784 -21.078 165 1HG1 ILE 23 1HG1 ILE 23 5.787 -2.633 -21.277 166 2HG1 ILE 23 2HG1 ILE 23 5.007 -3.109 -19.772 167 1HG2 ILE 23 1HG2 ILE 23 4.687 -3.729 -23.240 168 2HG2 ILE 23 2HG2 ILE 23 2.928 -3.822 -23.310 169 3HG2 ILE 23 3HG2 ILE 23 3.734 -2.260 -23.449 170 1HD1 ILE 23 1HD1 ILE 23 5.140 -5.144 -21.909 171 2HD1 ILE 23 2HD1 ILE 23 6.652 -4.704 -21.114 172 3HD1 ILE 23 3HD1 ILE 23 5.300 -5.314 -20.161 173 H GLU 24 H GLU 24 0.765 -2.230 -20.628 174 HA GLU 24 HA GLU 24 -0.313 -1.825 -23.225 175 1HB GLU 24 1HB GLU 24 -1.166 -3.122 -20.989 176 2HB GLU 24 2HB GLU 24 -2.176 -1.683 -20.945 177 1HG GLU 24 1HG GLU 24 -2.081 -2.841 -23.592 178 2HG GLU 24 2HG GLU 24 -2.639 -3.999 -22.387 179 H ASP 25 H ASP 25 -0.061 0.165 -20.347 180 HA ASP 25 HA ASP 25 -1.815 2.223 -21.231 181 1HB ASP 25 1HB ASP 25 -1.048 1.761 -18.839 182 2HB ASP 25 2HB ASP 25 0.452 2.576 -19.273 183 H ALA 26 H ALA 26 1.737 1.972 -21.140 184 HA ALA 26 HA ALA 26 2.325 4.423 -22.320 185 1HB ALA 26 1HB ALA 26 4.271 3.574 -21.599 186 2HB ALA 26 2HB ALA 26 3.750 1.907 -21.848 187 3HB ALA 26 3HB ALA 26 4.361 2.852 -23.206 188 H MET 27 H MET 27 1.633 1.290 -23.811 189 HA MET 27 HA MET 27 2.215 2.021 -26.465 190 1HB MET 27 1HB MET 27 1.369 -0.281 -25.155 191 2HB MET 27 2HB MET 27 0.039 0.103 -26.240 192 1HG MET 27 1HG MET 27 1.497 0.060 -28.140 193 2HG MET 27 2HG MET 27 2.909 -0.127 -27.103 194 1HE MET 27 1HE MET 27 1.448 -1.864 -29.652 195 2HE MET 27 2HE MET 27 0.757 -3.394 -29.112 196 3HE MET 27 3HE MET 27 -0.115 -1.885 -28.835 197 H ARG 28 H ARG 28 -0.822 2.073 -24.628 198 HA ARG 28 HA ARG 28 -2.573 2.826 -26.624 199 1HB ARG 28 1HB ARG 28 -3.483 2.285 -24.509 200 2HB ARG 28 2HB ARG 28 -2.498 3.489 -23.689 201 1HG ARG 28 1HG ARG 28 -4.011 5.088 -24.005 202 2HG ARG 28 2HG ARG 28 -4.232 4.658 -25.702 203 1HD ARG 28 1HD ARG 28 -5.778 2.919 -25.123 204 2HD ARG 28 2HD ARG 28 -5.444 3.131 -23.405 205 HE ARG 28 HE ARG 28 -6.348 5.569 -24.222 206 1HH1 ARG 28 1HH1 ARG 28 -7.582 2.317 -24.370 207 2HH1 ARG 28 2HH1 ARG 28 -9.243 2.804 -24.296 208 1HH2 ARG 28 1HH2 ARG 28 -8.531 6.223 -24.124 209 2HH2 ARG 28 2HH2 ARG 28 -9.782 5.027 -24.157 210 H LYS 29 H LYS 29 -0.711 4.976 -24.479 211 HA LYS 29 HA LYS 29 -1.521 7.340 -25.877 212 1HB LYS 29 1HB LYS 29 -0.074 6.695 -23.472 213 2HB LYS 29 2HB LYS 29 0.818 7.891 -24.403 214 1HG LYS 29 1HG LYS 29 -1.335 9.210 -24.525 215 2HG LYS 29 2HG LYS 29 -1.975 8.093 -23.318 216 1HD LYS 29 1HD LYS 29 0.403 8.790 -22.197 217 2HD LYS 29 2HD LYS 29 -0.036 10.281 -23.033 218 1HE LYS 29 1HE LYS 29 -2.385 9.771 -21.916 219 2HE LYS 29 2HE LYS 29 -1.374 8.897 -20.767 220 1HZ LYS 29 1HZ LYS 29 -0.031 11.159 -20.898 221 2HZ LYS 29 2HZ LYS 29 -1.310 10.932 -19.815 222 3HZ LYS 29 3HZ LYS 29 -1.568 11.763 -21.266 223 H ALA 30 H ALA 30 0.995 5.019 -26.242 224 HA ALA 30 HA ALA 30 2.827 6.678 -27.675 225 1HB ALA 30 1HB ALA 30 2.582 3.677 -27.520 226 2HB ALA 30 2HB ALA 30 3.917 4.542 -28.282 227 3HB ALA 30 3HB ALA 30 3.635 4.707 -26.549 228 H GLY 31 H GLY 31 -0.003 4.854 -28.510 229 1HA GLY 31 1HA GLY 31 -1.082 4.492 -30.506 230 2HA GLY 31 2HA GLY 31 -0.406 6.046 -30.971 231 H VAL 32 H VAL 32 0.301 2.579 -30.837 232 HA VAL 32 HA VAL 32 2.005 2.935 -33.216 233 HB VAL 32 HB VAL 32 3.279 0.905 -32.399 234 1HG1 VAL 32 1HG1 VAL 32 3.617 3.607 -31.887 235 2HG1 VAL 32 2HG1 VAL 32 3.887 2.835 -30.324 236 3HG1 VAL 32 3HG1 VAL 32 4.839 2.346 -31.726 237 1HG2 VAL 32 1HG2 VAL 32 2.953 -0.001 -30.352 238 2HG2 VAL 32 2HG2 VAL 32 2.492 1.537 -29.622 239 3HG2 VAL 32 3HG2 VAL 32 1.322 0.630 -30.582 240 H ALA 33 H ALA 33 2.429 0.518 -34.105 241 HA ALA 33 HA ALA 33 0.016 -1.093 -34.033 242 1HB ALA 33 1HB ALA 33 0.889 -0.292 -36.762 243 2HB ALA 33 2HB ALA 33 -0.700 -0.794 -36.185 244 3HB ALA 33 3HB ALA 33 -0.106 0.828 -35.831 245 H HIS 34 H HIS 34 0.433 -2.737 -36.152 246 HA HIS 34 HA HIS 34 1.595 -4.581 -36.803 247 1HB HIS 34 1HB HIS 34 3.153 -2.658 -37.555 248 2HB HIS 34 2HB HIS 34 4.150 -3.122 -36.180 249 HD1 HIS 34 HD1 HIS 34 2.428 -5.182 -38.887 250 HD2 HIS 34 HD2 HIS 34 6.158 -4.642 -37.139 251 HE1 HIS 34 HE1 HIS 34 3.944 -6.845 -40.010 252 H SER 35 H SER 35 0.696 -5.378 -34.676 253 HA SER 35 HA SER 35 2.611 -6.950 -33.361 254 1HB SER 35 1HB SER 35 2.329 -4.294 -32.291 255 2HB SER 35 2HB SER 35 1.762 -5.472 -31.107 256 HG SER 35 HG SER 35 4.310 -5.044 -32.117 257 H LYS 36 H LYS 36 1.685 -8.359 -31.779 258 HA LYS 36 HA LYS 36 -1.017 -9.028 -32.316 259 1HB LYS 36 1HB LYS 36 1.095 -10.414 -31.374 260 2HB LYS 36 2HB LYS 36 0.254 -10.100 -29.862 261 1HG LYS 36 1HG LYS 36 -1.642 -11.291 -30.534 262 2HG LYS 36 2HG LYS 36 -1.165 -11.261 -32.234 263 1HD LYS 36 1HD LYS 36 0.323 -12.977 -31.987 264 2HD LYS 36 2HD LYS 36 0.665 -12.583 -30.301 265 1HE LYS 36 1HE LYS 36 -0.596 -14.398 -29.878 266 2HE LYS 36 2HE LYS 36 -1.941 -13.287 -30.134 267 1HZ LYS 36 1HZ LYS 36 -2.145 -14.022 -32.380 268 2HZ LYS 36 2HZ LYS 36 -2.123 -15.394 -31.391 269 3HZ LYS 36 3HZ LYS 36 -0.744 -14.963 -32.271 270 H SER 37 H SER 37 0.408 -8.301 -29.130 271 HA SER 37 HA SER 37 -1.303 -6.213 -28.436 272 1HB SER 37 1HB SER 37 -3.185 -7.650 -28.511 273 2HB SER 37 2HB SER 37 -2.315 -8.961 -27.714 274 HG SER 37 HG SER 37 -3.257 -8.177 -25.998 275 H SER 38 H SER 38 -1.237 -5.707 -26.106 276 HA SER 38 HA SER 38 1.308 -5.815 -25.056 277 1HB SER 38 1HB SER 38 -1.228 -4.816 -24.228 278 2HB SER 38 2HB SER 38 -0.521 -5.684 -22.866 279 HG SER 38 HG SER 38 1.098 -3.928 -24.324 280 H LYS 39 H LYS 39 -1.479 -7.809 -24.079 281 HA LYS 39 HA LYS 39 -0.283 -9.368 -22.156 282 1HB LYS 39 1HB LYS 39 -2.427 -10.005 -24.171 283 2HB LYS 39 2HB LYS 39 -1.915 -11.183 -22.970 284 1HG LYS 39 1HG LYS 39 -2.386 -8.836 -21.538 285 2HG LYS 39 2HG LYS 39 -3.708 -8.952 -22.701 286 1HD LYS 39 1HD LYS 39 -4.352 -11.082 -21.898 287 2HD LYS 39 2HD LYS 39 -2.859 -11.266 -20.974 288 1HE LYS 39 1HE LYS 39 -4.019 -8.903 -20.043 289 2HE LYS 39 2HE LYS 39 -5.357 -10.039 -20.212 290 1HZ LYS 39 1HZ LYS 39 -2.841 -10.694 -18.787 291 2HZ LYS 39 2HZ LYS 39 -4.286 -11.573 -18.785 292 3HZ LYS 39 3HZ LYS 39 -4.209 -10.070 -18.012 293 H ASP 40 H ASP 40 -0.172 -9.758 -25.663 294 HA ASP 40 HA ASP 40 1.277 -12.225 -25.572 295 1HB ASP 40 1HB ASP 40 0.199 -10.443 -27.627 296 2HB ASP 40 2HB ASP 40 1.742 -11.164 -28.078 297 H MET 41 H MET 41 2.116 -8.827 -25.803 298 HA MET 41 HA MET 41 4.839 -9.194 -26.502 299 1HB MET 41 1HB MET 41 3.119 -6.966 -25.647 300 2HB MET 41 2HB MET 41 4.808 -6.800 -25.185 301 1HG MET 41 1HG MET 41 5.121 -5.942 -27.207 302 2HG MET 41 2HG MET 41 4.973 -7.594 -27.804 303 1HE MET 41 1HE MET 41 3.920 -7.980 -29.666 304 2HE MET 41 2HE MET 41 2.376 -8.489 -28.984 305 3HE MET 41 3HE MET 41 2.413 -7.318 -30.303 306 H GLU 42 H GLU 42 3.318 -8.375 -23.379 307 HA GLU 42 HA GLU 42 5.659 -8.548 -21.847 308 1HB GLU 42 1HB GLU 42 2.838 -9.106 -20.917 309 2HB GLU 42 2HB GLU 42 4.202 -8.640 -19.910 310 1HG GLU 42 1HG GLU 42 3.712 -6.509 -20.203 311 2HG GLU 42 2HG GLU 42 3.902 -6.688 -21.947 312 H SER 43 H SER 43 3.230 -10.979 -22.672 313 HA SER 43 HA SER 43 4.082 -13.046 -21.018 314 1HB SER 43 1HB SER 43 2.712 -13.003 -23.695 315 2HB SER 43 2HB SER 43 3.147 -14.532 -22.931 316 HG SER 43 HG SER 43 1.607 -12.509 -21.673 317 H HIS 44 H HIS 44 5.090 -12.289 -24.343 318 HA HIS 44 HA HIS 44 6.906 -14.399 -24.649 319 1HB HIS 44 1HB HIS 44 6.019 -12.849 -26.453 320 2HB HIS 44 2HB HIS 44 7.203 -11.668 -25.902 321 HD1 HIS 44 HD1 HIS 44 9.553 -11.915 -26.751 322 HD2 HIS 44 HD2 HIS 44 7.197 -15.236 -27.574 323 HE1 HIS 44 HE1 HIS 44 10.934 -13.357 -28.280 324 H VAL 45 H VAL 45 7.352 -11.120 -23.395 325 HA VAL 45 HA VAL 45 10.128 -11.149 -23.113 326 HB VAL 45 HB VAL 45 8.202 -9.775 -21.239 327 1HG1 VAL 45 1HG1 VAL 45 10.657 -8.404 -21.991 328 2HG1 VAL 45 2HG1 VAL 45 9.961 -8.688 -20.394 329 3HG1 VAL 45 3HG1 VAL 45 10.949 -9.933 -21.162 330 1HG2 VAL 45 1HG2 VAL 45 8.568 -9.417 -24.056 331 2HG2 VAL 45 2HG2 VAL 45 7.481 -8.566 -22.958 332 3HG2 VAL 45 3HG2 VAL 45 9.128 -7.981 -23.198 333 H PHE 46 H PHE 46 7.594 -12.421 -21.032 334 HA PHE 46 HA PHE 46 9.229 -12.962 -18.786 335 1HB PHE 46 1HB PHE 46 6.661 -12.887 -18.921 336 2HB PHE 46 2HB PHE 46 6.770 -14.541 -19.515 337 HD1 PHE 46 HD1 PHE 46 7.335 -12.339 -16.635 338 HD2 PHE 46 HD2 PHE 46 7.327 -16.350 -18.057 339 HE1 PHE 46 HE1 PHE 46 7.442 -13.157 -14.317 340 HE2 PHE 46 HE2 PHE 46 7.433 -17.175 -15.742 341 HZ PHE 46 HZ PHE 46 7.490 -15.578 -13.868 342 H LEU 47 H LEU 47 7.939 -15.168 -21.277 343 HA LEU 47 HA LEU 47 9.451 -17.400 -20.455 344 1HB LEU 47 1HB LEU 47 7.950 -16.662 -22.925 345 2HB LEU 47 2HB LEU 47 8.993 -18.082 -22.944 346 HG LEU 47 HG LEU 47 6.848 -17.745 -20.871 347 1HD1 LEU 47 1HD1 LEU 47 5.197 -18.341 -22.257 348 2HD1 LEU 47 2HD1 LEU 47 6.218 -19.472 -23.145 349 3HD1 LEU 47 3HD1 LEU 47 6.261 -17.752 -23.535 350 1HD2 LEU 47 1HD2 LEU 47 8.539 -19.977 -21.921 351 2HD2 LEU 47 2HD2 LEU 47 6.980 -20.319 -21.170 352 3HD2 LEU 47 3HD2 LEU 47 8.238 -19.488 -20.253 353 H LYS 48 H LYS 48 10.340 -14.581 -22.128 354 HA LYS 48 HA LYS 48 12.646 -15.820 -23.417 355 1HB LYS 48 1HB LYS 48 11.520 -14.199 -24.766 356 2HB LYS 48 2HB LYS 48 11.528 -13.018 -23.464 357 1HG LYS 48 1HG LYS 48 13.726 -12.467 -23.786 358 2HG LYS 48 2HG LYS 48 14.130 -14.035 -24.488 359 1HD LYS 48 1HD LYS 48 13.016 -13.466 -26.540 360 2HD LYS 48 2HD LYS 48 12.399 -11.968 -25.840 361 1HE LYS 48 1HE LYS 48 14.356 -10.882 -26.118 362 2HE LYS 48 2HE LYS 48 15.320 -12.305 -25.728 363 1HZ LYS 48 1HZ LYS 48 15.767 -12.327 -27.900 364 2HZ LYS 48 2HZ LYS 48 14.475 -11.309 -28.293 365 3HZ LYS 48 3HZ LYS 48 14.214 -12.969 -28.097 366 H ALA 49 H ALA 49 11.820 -13.925 -20.634 367 HA ALA 49 HA ALA 49 14.525 -13.095 -20.075 368 1HB ALA 49 1HB ALA 49 13.153 -12.731 -17.739 369 2HB ALA 49 2HB ALA 49 13.278 -11.550 -19.044 370 3HB ALA 49 3HB ALA 49 11.873 -12.612 -18.947 371 H LYS 50 H LYS 50 15.795 -13.790 -18.305 372 HA LYS 50 HA LYS 50 15.267 -16.575 -17.527 373 1HB LYS 50 1HB LYS 50 17.690 -15.056 -18.201 374 2HB LYS 50 2HB LYS 50 17.856 -16.075 -16.777 375 1HG LYS 50 1HG LYS 50 18.373 -17.687 -18.226 376 2HG LYS 50 2HG LYS 50 16.637 -17.766 -18.536 377 1HD LYS 50 1HD LYS 50 17.066 -15.942 -20.290 378 2HD LYS 50 2HD LYS 50 18.771 -16.373 -20.126 379 1HE LYS 50 1HE LYS 50 18.331 -17.887 -21.720 380 2HE LYS 50 2HE LYS 50 17.607 -18.820 -20.411 381 1HZ LYS 50 1HZ LYS 50 15.960 -16.842 -21.821 382 2HZ LYS 50 2HZ LYS 50 15.498 -18.287 -21.073 383 3HZ LYS 50 3HZ LYS 50 16.274 -18.324 -22.576 384 H THR 51 H THR 51 15.656 -13.366 -16.315 385 HA THR 51 HA THR 51 15.019 -14.309 -13.631 386 HB THR 51 HB THR 51 16.745 -12.974 -12.553 387 HG1 THR 51 HG1 THR 51 17.973 -11.616 -13.651 388 1HG2 THR 51 1HG2 THR 51 17.252 -15.320 -13.137 389 2HG2 THR 51 2HG2 THR 51 18.695 -14.305 -13.130 390 3HG2 THR 51 3HG2 THR 51 17.952 -14.771 -14.659 391 H ARG 52 H ARG 52 14.499 -12.443 -12.160 392 HA ARG 52 HA ARG 52 12.482 -10.872 -13.199 393 1HB ARG 52 1HB ARG 52 12.439 -9.726 -11.122 394 2HB ARG 52 2HB ARG 52 12.960 -11.367 -10.764 395 1HG ARG 52 1HG ARG 52 15.302 -10.566 -10.726 396 2HG ARG 52 2HG ARG 52 14.703 -8.921 -10.950 397 1HD ARG 52 1HD ARG 52 13.218 -9.965 -8.829 398 2HD ARG 52 2HD ARG 52 14.872 -10.507 -8.547 399 HE ARG 52 HE ARG 52 13.875 -7.852 -8.282 400 1HH1 ARG 52 1HH1 ARG 52 16.693 -9.704 -9.150 401 2HH1 ARG 52 2HH1 ARG 52 17.809 -8.449 -8.723 402 1HH2 ARG 52 1HH2 ARG 52 15.335 -6.193 -7.717 403 2HH2 ARG 52 2HH2 ARG 52 17.036 -6.453 -7.907 404 H ASP 53 H ASP 53 15.912 -10.269 -13.097 405 HA ASP 53 HA ASP 53 15.792 -7.479 -13.648 406 1HB ASP 53 1HB ASP 53 17.767 -9.037 -12.787 407 2HB ASP 53 2HB ASP 53 18.144 -9.100 -14.506 408 H GLU 54 H GLU 54 16.389 -10.328 -15.694 409 HA GLU 54 HA GLU 54 16.770 -9.053 -18.119 410 1HB GLU 54 1HB GLU 54 16.982 -11.532 -17.594 411 2HB GLU 54 2HB GLU 54 15.241 -11.635 -17.815 412 1HG GLU 54 1HG GLU 54 15.365 -11.292 -20.074 413 2HG GLU 54 2HG GLU 54 16.888 -10.411 -19.968 414 H TYR 55 H TYR 55 13.697 -10.281 -16.794 415 HA TYR 55 HA TYR 55 12.060 -9.351 -18.869 416 1HB TYR 55 1HB TYR 55 11.186 -10.980 -17.355 417 2HB TYR 55 2HB TYR 55 11.472 -9.937 -15.966 418 HD1 TYR 55 HD1 TYR 55 9.388 -10.369 -18.995 419 HD2 TYR 55 HD2 TYR 55 9.857 -8.346 -15.281 420 HE1 TYR 55 HE1 TYR 55 7.097 -9.497 -19.187 421 HE2 TYR 55 HE2 TYR 55 7.567 -7.469 -15.462 422 HH TYR 55 HH TYR 55 5.686 -7.829 -18.367 423 H LEU 56 H LEU 56 12.520 -7.928 -15.627 424 HA LEU 56 HA LEU 56 11.091 -5.603 -15.980 425 1HB LEU 56 1HB LEU 56 13.463 -6.319 -14.321 426 2HB LEU 56 2HB LEU 56 12.930 -4.640 -14.377 427 HG LEU 56 HG LEU 56 10.902 -6.715 -13.734 428 1HD1 LEU 56 1HD1 LEU 56 12.222 -7.572 -12.129 429 2HD1 LEU 56 2HD1 LEU 56 11.789 -6.101 -11.259 430 3HD1 LEU 56 3HD1 LEU 56 13.315 -6.187 -12.138 431 1HD2 LEU 56 1HD2 LEU 56 10.877 -4.489 -12.002 432 2HD2 LEU 56 2HD2 LEU 56 9.752 -4.868 -13.307 433 3HD2 LEU 56 3HD2 LEU 56 11.174 -3.875 -13.628 434 H SER 57 H SER 57 14.269 -6.418 -17.167 435 HA SER 57 HA SER 57 15.001 -3.750 -17.900 436 1HB SER 57 1HB SER 57 16.723 -5.428 -17.481 437 2HB SER 57 2HB SER 57 16.108 -6.421 -18.802 438 HG SER 57 HG SER 57 17.159 -5.218 -20.163 439 H LEU 58 H LEU 58 14.075 -6.609 -19.824 440 HA LEU 58 HA LEU 58 13.929 -5.322 -22.294 441 1HB LEU 58 1HB LEU 58 12.381 -7.698 -21.275 442 2HB LEU 58 2HB LEU 58 12.455 -7.200 -22.964 443 HG LEU 58 HG LEU 58 14.688 -8.300 -21.268 444 1HD1 LEU 58 1HD1 LEU 58 14.505 -9.642 -23.688 445 2HD1 LEU 58 2HD1 LEU 58 12.830 -9.394 -23.195 446 3HD1 LEU 58 3HD1 LEU 58 13.954 -10.219 -22.115 447 1HD2 LEU 58 1HD2 LEU 58 15.808 -8.104 -23.680 448 2HD2 LEU 58 2HD2 LEU 58 15.945 -6.836 -22.461 449 3HD2 LEU 58 3HD2 LEU 58 14.753 -6.693 -23.754 450 H VAL 59 H VAL 59 11.505 -5.709 -19.760 451 HA VAL 59 HA VAL 59 9.299 -4.707 -21.192 452 HB VAL 59 HB VAL 59 9.824 -4.599 -18.218 453 1HG1 VAL 59 1HG1 VAL 59 7.086 -4.778 -18.699 454 2HG1 VAL 59 2HG1 VAL 59 7.972 -3.372 -18.107 455 3HG1 VAL 59 3HG1 VAL 59 7.671 -3.562 -19.835 456 1HG2 VAL 59 1HG2 VAL 59 9.562 -6.823 -19.793 457 2HG2 VAL 59 2HG2 VAL 59 9.200 -6.746 -18.068 458 3HG2 VAL 59 3HG2 VAL 59 7.906 -6.547 -19.251 459 H ALA 60 H ALA 60 11.293 -3.050 -18.736 460 HA ALA 60 HA ALA 60 10.245 -0.514 -18.998 461 1HB ALA 60 1HB ALA 60 12.716 0.170 -18.390 462 2HB ALA 60 2HB ALA 60 11.685 -0.666 -17.228 463 3HB ALA 60 3HB ALA 60 12.892 -1.568 -18.144 464 H ARG 61 H ARG 61 13.059 -1.852 -20.731 465 HA ARG 61 HA ARG 61 13.716 0.331 -22.276 466 1HB ARG 61 1HB ARG 61 14.722 -2.117 -22.098 467 2HB ARG 61 2HB ARG 61 13.776 -2.359 -23.561 468 1HG ARG 61 1HG ARG 61 14.961 -0.206 -24.384 469 2HG ARG 61 2HG ARG 61 16.117 -0.566 -23.100 470 1HD ARG 61 1HD ARG 61 15.544 -2.951 -24.578 471 2HD ARG 61 2HD ARG 61 16.000 -1.662 -25.692 472 HE ARG 61 HE ARG 61 17.709 -3.033 -23.865 473 1HH1 ARG 61 1HH1 ARG 61 17.173 0.014 -25.461 474 2HH1 ARG 61 2HH1 ARG 61 18.837 0.492 -25.391 475 1HH2 ARG 61 1HH2 ARG 61 19.903 -2.415 -23.767 476 2HH2 ARG 61 2HH2 ARG 61 20.389 -0.891 -24.428 477 H LEU 62 H LEU 62 11.278 -2.156 -22.930 478 HA LEU 62 HA LEU 62 10.538 -1.251 -25.488 479 1HB LEU 62 1HB LEU 62 9.819 -3.326 -23.799 480 2HB LEU 62 2HB LEU 62 8.340 -2.385 -23.971 481 HG LEU 62 HG LEU 62 9.855 -3.183 -26.417 482 1HD1 LEU 62 1HD1 LEU 62 7.754 -5.043 -25.583 483 2HD1 LEU 62 2HD1 LEU 62 9.215 -5.102 -24.599 484 3HD1 LEU 62 3HD1 LEU 62 9.316 -5.355 -26.341 485 1HD2 LEU 62 1HD2 LEU 62 7.912 -1.634 -26.494 486 2HD2 LEU 62 2HD2 LEU 62 6.904 -2.931 -25.852 487 3HD2 LEU 62 3HD2 LEU 62 7.679 -3.113 -27.426 488 H ILE 63 H ILE 63 9.064 -0.638 -22.305 489 HA ILE 63 HA ILE 63 7.030 1.068 -23.179 490 HB ILE 63 HB ILE 63 8.470 0.910 -20.537 491 1HG1 ILE 63 1HG1 ILE 63 5.674 0.088 -21.348 492 2HG1 ILE 63 2HG1 ILE 63 7.045 -1.010 -21.244 493 1HG2 ILE 63 1HG2 ILE 63 6.112 2.171 -19.994 494 2HG2 ILE 63 2HG2 ILE 63 7.679 2.965 -20.135 495 3HG2 ILE 63 3HG2 ILE 63 6.587 2.920 -21.519 496 1HD1 ILE 63 1HD1 ILE 63 7.230 -0.257 -18.814 497 2HD1 ILE 63 2HD1 ILE 63 5.614 0.413 -19.036 498 3HD1 ILE 63 3HD1 ILE 63 5.889 -1.316 -19.249 499 H ILE 64 H ILE 64 10.213 1.919 -21.813 500 HA ILE 64 HA ILE 64 10.065 4.661 -22.018 501 HB ILE 64 HB ILE 64 12.448 2.851 -22.385 502 1HG1 ILE 64 1HG1 ILE 64 12.329 4.594 -20.048 503 2HG1 ILE 64 2HG1 ILE 64 10.954 3.500 -20.141 504 1HG2 ILE 64 1HG2 ILE 64 12.241 5.826 -22.454 505 2HG2 ILE 64 2HG2 ILE 64 13.672 5.070 -21.756 506 3HG2 ILE 64 3HG2 ILE 64 13.233 4.745 -23.432 507 1HD1 ILE 64 1HD1 ILE 64 12.190 1.811 -19.433 508 2HD1 ILE 64 2HD1 ILE 64 13.384 2.086 -20.702 509 3HD1 ILE 64 3HD1 ILE 64 13.510 2.951 -19.170 510 H HIS 65 H HIS 65 10.986 2.328 -24.515 511 HA HIS 65 HA HIS 65 11.742 4.182 -26.487 512 1HB HIS 65 1HB HIS 65 11.747 1.457 -26.299 513 2HB HIS 65 2HB HIS 65 10.451 1.720 -27.461 514 HD1 HIS 65 HD1 HIS 65 14.098 1.649 -27.144 515 HD2 HIS 65 HD2 HIS 65 11.308 3.137 -29.839 516 HE1 HIS 65 HE1 HIS 65 15.386 2.129 -29.249 517 H PHE 66 H PHE 66 8.615 2.797 -25.634 518 HA PHE 66 HA PHE 66 7.166 3.763 -27.846 519 1HB PHE 66 1HB PHE 66 6.473 2.766 -25.125 520 2HB PHE 66 2HB PHE 66 5.235 3.643 -26.017 521 HD1 PHE 66 HD1 PHE 66 6.072 0.514 -25.190 522 HD2 PHE 66 HD2 PHE 66 5.453 2.819 -28.714 523 HE1 PHE 66 HE1 PHE 66 5.521 -1.538 -26.431 524 HE2 PHE 66 HE2 PHE 66 4.901 0.772 -29.961 525 HZ PHE 66 HZ PHE 66 4.934 -1.411 -28.820 526 H ARG 67 H ARG 67 7.902 5.176 -24.697 527 HA ARG 67 HA ARG 67 6.247 7.448 -24.943 528 1HB ARG 67 1HB ARG 67 8.712 6.886 -23.302 529 2HB ARG 67 2HB ARG 67 7.855 8.419 -23.212 530 1HG ARG 67 1HG ARG 67 6.167 7.556 -22.010 531 2HG ARG 67 2HG ARG 67 6.174 6.032 -22.900 532 1HD ARG 67 1HD ARG 67 7.031 5.183 -21.007 533 2HD ARG 67 2HD ARG 67 8.543 5.886 -21.581 534 HE ARG 67 HE ARG 67 6.954 7.702 -20.024 535 1HH1 ARG 67 1HH1 ARG 67 9.325 5.155 -19.903 536 2HH1 ARG 67 2HH1 ARG 67 9.955 5.637 -18.363 537 1HH2 ARG 67 1HH2 ARG 67 7.776 8.347 -17.996 538 2HH2 ARG 67 2HH2 ARG 67 9.073 7.453 -17.279 539 H ASP 68 H ASP 68 9.612 6.838 -25.829 540 HA ASP 68 HA ASP 68 10.240 9.491 -26.577 541 1HB ASP 68 1HB ASP 68 11.479 6.835 -26.838 542 2HB ASP 68 2HB ASP 68 11.900 7.962 -28.125 543 H ILE 69 H ILE 69 9.207 6.673 -28.483 544 HA ILE 69 HA ILE 69 9.284 7.779 -31.013 545 HB ILE 69 HB ILE 69 7.241 5.832 -29.936 546 1HG1 ILE 69 1HG1 ILE 69 9.543 5.014 -31.639 547 2HG1 ILE 69 2HG1 ILE 69 9.879 5.416 -29.958 548 1HG2 ILE 69 1HG2 ILE 69 6.279 6.439 -31.920 549 2HG2 ILE 69 2HG2 ILE 69 7.820 6.859 -32.666 550 3HG2 ILE 69 3HG2 ILE 69 7.361 5.166 -32.483 551 1HD1 ILE 69 1HD1 ILE 69 7.661 3.746 -29.860 552 2HD1 ILE 69 2HD1 ILE 69 8.718 3.038 -31.081 553 3HD1 ILE 69 3HD1 ILE 69 9.327 3.336 -29.454 554 H HIS 70 H HIS 70 6.543 7.777 -28.738 555 HA HIS 70 HA HIS 70 4.904 9.407 -30.411 556 1HB HIS 70 1HB HIS 70 3.823 7.939 -28.852 557 2HB HIS 70 2HB HIS 70 4.702 8.639 -27.496 558 HD1 HIS 70 HD1 HIS 70 1.907 9.411 -29.899 559 HD2 HIS 70 HD2 HIS 70 3.566 10.902 -26.394 560 HE1 HIS 70 HE1 HIS 70 0.302 11.169 -29.090 561 H ASN 71 H ASN 71 7.290 10.021 -27.967 562 HA ASN 71 HA ASN 71 6.547 12.650 -27.273 563 1HB ASN 71 1HB ASN 71 8.097 11.476 -25.870 564 2HB ASN 71 2HB ASN 71 9.216 11.235 -27.209 565 1HD2 ASN 71 1HD2 ASN 71 10.936 12.455 -27.037 566 2HD2 ASN 71 2HD2 ASN 71 10.989 14.071 -26.427 567 H LYS 72 H LYS 72 8.399 11.329 -29.932 568 HA LYS 72 HA LYS 72 9.315 12.262 -31.796 569 1HB LYS 72 1HB LYS 72 7.091 14.210 -31.207 570 2HB LYS 72 2HB LYS 72 8.104 14.345 -32.638 571 1HG LYS 72 1HG LYS 72 7.047 11.670 -32.316 572 2HG LYS 72 2HG LYS 72 5.769 12.885 -32.392 573 1HD LYS 72 1HD LYS 72 7.067 13.799 -34.426 574 2HD LYS 72 2HD LYS 72 7.877 12.231 -34.424 575 1HE LYS 72 1HE LYS 72 4.975 12.040 -34.190 576 2HE LYS 72 2HE LYS 72 5.504 12.818 -35.681 577 1HZ LYS 72 1HZ LYS 72 5.738 10.740 -36.420 578 2HZ LYS 72 2HZ LYS 72 5.725 10.064 -34.870 579 3HZ LYS 72 3HZ LYS 72 7.160 10.697 -35.505 580 H LYS 73 H LYS 73 11.189 12.615 -30.259 581 HA LYS 73 HA LYS 73 11.698 15.313 -29.403 582 1HB LYS 73 1HB LYS 73 12.649 12.855 -28.646 583 2HB LYS 73 2HB LYS 73 13.997 13.493 -29.579 584 1HG LYS 73 1HG LYS 73 13.654 15.618 -28.123 585 2HG LYS 73 2HG LYS 73 12.797 14.514 -27.045 586 1HD LYS 73 1HD LYS 73 14.740 13.815 -26.225 587 2HD LYS 73 2HD LYS 73 15.214 13.255 -27.831 588 1HE LYS 73 1HE LYS 73 15.496 16.129 -27.007 589 2HE LYS 73 2HE LYS 73 16.744 14.936 -26.649 590 1HZ LYS 73 1HZ LYS 73 17.455 14.981 -28.740 591 2HZ LYS 73 2HZ LYS 73 16.504 16.362 -28.958 592 3HZ LYS 73 3HZ LYS 73 15.894 14.842 -29.378 593 H SER 74 H SER 74 14.265 15.850 -29.996 594 HA SER 74 HA SER 74 14.142 16.340 -32.882 595 1HB SER 74 1HB SER 74 16.027 17.609 -30.889 596 2HB SER 74 2HB SER 74 15.647 18.168 -32.518 597 HG SER 74 HG SER 74 13.605 17.907 -30.601 598 H GLN 75 H GLN 75 14.828 13.751 -32.176 599 HA GLN 75 HA GLN 75 17.500 13.596 -33.306 600 1HB GLN 75 1HB GLN 75 17.655 13.590 -30.748 601 2HB GLN 75 2HB GLN 75 16.888 12.009 -30.821 602 1HG GLN 75 1HG GLN 75 19.190 12.296 -32.598 603 2HG GLN 75 2HG GLN 75 19.571 12.468 -30.885 604 1HE2 GLN 75 1HE2 GLN 75 20.058 10.338 -32.981 605 2HE2 GLN 75 2HE2 GLN 75 19.543 8.876 -32.220 606 H ALA 76 H ALA 76 16.948 12.508 -35.100 607 HA ALA 76 HA ALA 76 16.206 10.847 -36.469 608 1HB ALA 76 1HB ALA 76 16.679 8.686 -35.825 609 2HB ALA 76 2HB ALA 76 17.687 9.615 -34.714 610 3HB ALA 76 3HB ALA 76 16.149 8.950 -34.163 611 H SER 77 H SER 77 14.152 11.972 -36.621 612 HA SER 77 HA SER 77 11.954 10.240 -35.991 613 1HB SER 77 1HB SER 77 10.747 11.579 -34.496 614 2HB SER 77 2HB SER 77 12.401 11.706 -33.895 615 HG SER 77 HG SER 77 11.785 13.769 -34.003 616 H VAL 78 H VAL 78 9.805 11.560 -36.568 617 HA VAL 78 HA VAL 78 10.366 12.942 -39.111 618 HB VAL 78 HB VAL 78 9.301 10.780 -39.480 619 1HG1 VAL 78 1HG1 VAL 78 8.178 10.646 -37.272 620 2HG1 VAL 78 2HG1 VAL 78 6.993 11.822 -37.843 621 3HG1 VAL 78 3HG1 VAL 78 7.118 10.245 -38.623 622 1HG2 VAL 78 1HG2 VAL 78 6.949 12.286 -40.134 623 2HG2 VAL 78 2HG2 VAL 78 8.388 13.265 -40.420 624 3HG2 VAL 78 3HG2 VAL 78 8.223 11.691 -41.198 Start of MODEL 13 1 1H GLY 2 HT1 GLY 2 0.301 1.069 -6.548 2 1HA GLY 2 1HA GLY 2 2.178 2.267 -7.563 3 2HA GLY 2 2HA GLY 2 1.968 3.498 -6.327 4 H ALA 3 H ALA 3 2.032 -0.035 -6.009 5 HA ALA 3 HA ALA 3 4.246 0.276 -4.096 6 1HB ALA 3 1HB ALA 3 3.046 -2.332 -4.033 7 2HB ALA 3 2HB ALA 3 3.158 -1.120 -2.756 8 3HB ALA 3 3HB ALA 3 1.807 -1.085 -3.888 9 H MET 4 H MET 4 6.068 -1.024 -4.225 10 HA MET 4 HA MET 4 6.340 -3.083 -6.193 11 1HB MET 4 1HB MET 4 8.254 -1.866 -7.375 12 2HB MET 4 2HB MET 4 6.616 -1.376 -7.787 13 1HG MET 4 1HG MET 4 6.785 0.596 -6.483 14 2HG MET 4 2HG MET 4 8.296 0.058 -5.752 15 1HE MET 4 1HE MET 4 6.540 1.555 -8.883 16 2HE MET 4 2HE MET 4 7.803 1.477 -10.112 17 3HE MET 4 3HE MET 4 7.061 -0.008 -9.513 18 H GLY 5 H GLY 5 8.381 -4.179 -6.067 19 1HA GLY 5 1HA GLY 5 10.330 -4.873 -5.040 20 2HA GLY 5 2HA GLY 5 10.384 -3.332 -4.196 21 H GLN 6 H GLN 6 10.110 -6.582 -3.770 22 HA GLN 6 HA GLN 6 9.443 -6.304 -1.004 23 1HB GLN 6 1HB GLN 6 7.345 -6.976 -2.887 24 2HB GLN 6 2HB GLN 6 7.585 -8.266 -1.716 25 1HG GLN 6 1HG GLN 6 7.298 -6.666 0.107 26 2HG GLN 6 2HG GLN 6 7.054 -5.375 -1.069 27 1HE2 GLN 6 1HE2 GLN 6 5.664 -8.078 0.543 28 2HE2 GLN 6 2HE2 GLN 6 4.060 -7.898 -0.074 29 H GLU 7 H GLU 7 9.240 -8.837 -3.514 30 HA GLU 7 HA GLU 7 11.407 -10.269 -2.158 31 1HB GLU 7 1HB GLU 7 8.674 -11.361 -2.795 32 2HB GLU 7 2HB GLU 7 10.069 -12.414 -2.607 33 1HG GLU 7 1HG GLU 7 9.989 -12.292 -0.392 34 2HG GLU 7 2HG GLU 7 9.815 -10.538 -0.414 35 H THR 8 H THR 8 11.774 -12.414 -3.611 36 HA THR 8 HA THR 8 12.347 -11.357 -6.277 37 HB THR 8 HB THR 8 13.896 -13.227 -6.519 38 HG1 THR 8 HG1 THR 8 13.015 -13.977 -3.911 39 1HG2 THR 8 1HG2 THR 8 14.184 -11.088 -4.781 40 2HG2 THR 8 2HG2 THR 8 15.480 -12.113 -5.398 41 3HG2 THR 8 3HG2 THR 8 14.735 -12.474 -3.841 42 H ASP 9 H ASP 9 9.658 -12.228 -5.518 43 HA ASP 9 HA ASP 9 9.311 -14.657 -7.119 44 1HB ASP 9 1HB ASP 9 7.140 -13.205 -5.616 45 2HB ASP 9 2HB ASP 9 7.172 -14.888 -6.135 46 H TRP 10 H TRP 10 9.934 -13.284 -9.021 47 HA TRP 10 HA TRP 10 8.013 -11.347 -9.941 48 1HB TRP 10 1HB TRP 10 9.439 -11.038 -11.811 49 2HB TRP 10 2HB TRP 10 10.507 -11.315 -10.439 50 HD1 TRP 10 HD1 TRP 10 11.210 -14.119 -10.225 51 HE1 TRP 10 HE1 TRP 10 12.064 -15.605 -12.145 52 HE3 TRP 10 HE3 TRP 10 9.479 -11.396 -14.190 53 HZ2 TRP 10 HZ2 TRP 10 12.012 -15.620 -14.967 54 HZ3 TRP 10 HZ3 TRP 10 9.924 -12.215 -16.467 55 HH2 TRP 10 HH2 TRP 10 11.165 -14.283 -16.846 56 H ARG 11 H ARG 11 7.929 -14.621 -9.770 57 HA ARG 11 HA ARG 11 6.651 -15.069 -12.350 58 1HB ARG 11 1HB ARG 11 7.852 -16.747 -10.263 59 2HB ARG 11 2HB ARG 11 6.375 -17.411 -10.949 60 1HG ARG 11 1HG ARG 11 7.290 -17.491 -13.113 61 2HG ARG 11 2HG ARG 11 8.645 -16.453 -12.662 62 1HD ARG 11 1HD ARG 11 9.744 -18.417 -12.511 63 2HD ARG 11 2HD ARG 11 8.998 -18.466 -10.914 64 HE ARG 11 HE ARG 11 7.369 -19.642 -12.961 65 1HH1 ARG 11 1HH1 ARG 11 9.981 -20.200 -10.728 66 2HH1 ARG 11 2HH1 ARG 11 9.726 -21.912 -10.655 67 1HH2 ARG 11 1HH2 ARG 11 7.024 -21.895 -12.874 68 2HH2 ARG 11 2HH2 ARG 11 8.044 -22.875 -11.877 69 H SER 12 H SER 12 5.582 -13.523 -9.865 70 HA SER 12 HA SER 12 3.147 -15.001 -9.298 71 1HB SER 12 1HB SER 12 3.628 -13.933 -7.351 72 2HB SER 12 2HB SER 12 4.533 -12.653 -8.159 73 HG SER 12 HG SER 12 2.789 -11.570 -7.590 74 H THR 13 H THR 13 1.079 -14.364 -9.869 75 HA THR 13 HA THR 13 0.703 -13.269 -12.398 76 HB THR 13 HB THR 13 -1.451 -13.121 -10.310 77 HG1 THR 13 HG1 THR 13 -0.373 -15.446 -11.548 78 1HG2 THR 13 1HG2 THR 13 -2.816 -13.920 -12.264 79 2HG2 THR 13 2HG2 THR 13 -1.377 -13.724 -13.265 80 3HG2 THR 13 3HG2 THR 13 -2.095 -12.324 -12.469 81 H ALA 14 H ALA 14 0.209 -11.752 -9.216 82 HA ALA 14 HA ALA 14 -0.707 -9.276 -10.042 83 1HB ALA 14 1HB ALA 14 0.113 -8.413 -7.912 84 2HB ALA 14 2HB ALA 14 -0.662 -9.984 -7.705 85 3HB ALA 14 3HB ALA 14 1.097 -9.861 -7.696 86 H PHE 15 H PHE 15 2.608 -10.469 -9.829 87 HA PHE 15 HA PHE 15 3.912 -8.023 -10.315 88 1HB PHE 15 1HB PHE 15 4.834 -10.372 -9.564 89 2HB PHE 15 2HB PHE 15 5.066 -10.605 -11.293 90 HD1 PHE 15 HD1 PHE 15 6.618 -9.573 -8.380 91 HD2 PHE 15 HD2 PHE 15 6.213 -8.483 -12.474 92 HE1 PHE 15 HE1 PHE 15 8.739 -8.333 -8.255 93 HE2 PHE 15 HE2 PHE 15 8.334 -7.242 -12.356 94 HZ PHE 15 HZ PHE 15 9.601 -7.166 -10.246 95 H ARG 16 H ARG 16 3.640 -10.738 -12.610 96 HA ARG 16 HA ARG 16 4.326 -9.316 -14.887 97 1HB ARG 16 1HB ARG 16 4.099 -11.822 -14.650 98 2HB ARG 16 2HB ARG 16 2.363 -11.608 -14.828 99 1HG ARG 16 1HG ARG 16 3.140 -10.301 -17.006 100 2HG ARG 16 2HG ARG 16 4.521 -11.387 -16.840 101 1HD ARG 16 1HD ARG 16 1.703 -12.408 -16.713 102 2HD ARG 16 2HD ARG 16 2.519 -12.162 -18.256 103 HE ARG 16 HE ARG 16 4.267 -13.663 -16.801 104 1HH1 ARG 16 1HH1 ARG 16 0.931 -14.000 -17.736 105 2HH1 ARG 16 2HH1 ARG 16 0.980 -15.731 -17.774 106 1HH2 ARG 16 1HH2 ARG 16 4.346 -15.943 -16.848 107 2HH2 ARG 16 2HH2 ARG 16 2.923 -16.835 -17.269 108 H GLN 17 H GLN 17 1.158 -9.769 -13.395 109 HA GLN 17 HA GLN 17 -0.460 -8.715 -15.386 110 1HB GLN 17 1HB GLN 17 -1.319 -9.811 -13.359 111 2HB GLN 17 2HB GLN 17 -0.797 -8.437 -12.394 112 1HG GLN 17 1HG GLN 17 -2.708 -8.081 -14.667 113 2HG GLN 17 2HG GLN 17 -3.266 -8.608 -13.081 114 1HE2 GLN 17 1HE2 GLN 17 -3.184 -6.023 -14.910 115 2HE2 GLN 17 2HE2 GLN 17 -2.941 -4.777 -13.739 116 H LYS 18 H LYS 18 0.746 -6.944 -12.531 117 HA LYS 18 HA LYS 18 -0.058 -4.411 -13.265 118 1HB LYS 18 1HB LYS 18 2.045 -5.515 -11.501 119 2HB LYS 18 2HB LYS 18 2.256 -3.838 -11.988 120 1HG LYS 18 1HG LYS 18 0.311 -3.151 -10.925 121 2HG LYS 18 2HG LYS 18 -0.354 -4.786 -10.876 122 1HD LYS 18 1HD LYS 18 1.776 -5.240 -9.388 123 2HD LYS 18 2HD LYS 18 1.674 -3.499 -9.112 124 1HE LYS 18 1HE LYS 18 -0.140 -3.699 -7.810 125 2HE LYS 18 2HE LYS 18 -0.891 -4.881 -8.881 126 1HZ LYS 18 1HZ LYS 18 -0.308 -6.486 -7.494 127 2HZ LYS 18 2HZ LYS 18 0.338 -5.342 -6.430 128 3HZ LYS 18 3HZ LYS 18 1.324 -6.057 -7.604 129 H LEU 19 H LEU 19 3.045 -5.990 -13.993 130 HA LEU 19 HA LEU 19 4.210 -3.882 -15.406 131 1HB LEU 19 1HB LEU 19 4.579 -6.842 -15.394 132 2HB LEU 19 2HB LEU 19 5.400 -5.876 -16.617 133 HG LEU 19 HG LEU 19 6.505 -6.527 -14.268 134 1HD1 LEU 19 1HD1 LEU 19 7.695 -5.489 -16.075 135 2HD1 LEU 19 2HD1 LEU 19 8.001 -4.577 -14.597 136 3HD1 LEU 19 3HD1 LEU 19 6.868 -3.956 -15.797 137 1HD2 LEU 19 1HD2 LEU 19 5.317 -3.802 -13.772 138 2HD2 LEU 19 2HD2 LEU 19 6.388 -4.709 -12.704 139 3HD2 LEU 19 3HD2 LEU 19 4.752 -5.291 -13.015 140 H VAL 20 H VAL 20 2.110 -6.505 -16.507 141 HA VAL 20 HA VAL 20 2.266 -6.058 -19.256 142 HB VAL 20 HB VAL 20 0.124 -7.218 -17.506 143 1HG1 VAL 20 1HG1 VAL 20 -1.344 -6.478 -19.076 144 2HG1 VAL 20 2HG1 VAL 20 -0.113 -6.366 -20.335 145 3HG1 VAL 20 3HG1 VAL 20 -0.790 -7.936 -19.899 146 1HG2 VAL 20 1HG2 VAL 20 2.385 -8.182 -19.024 147 2HG2 VAL 20 2HG2 VAL 20 1.411 -9.010 -17.808 148 3HG2 VAL 20 3HG2 VAL 20 0.896 -9.003 -19.495 149 H SER 21 H SER 21 0.041 -4.679 -16.855 150 HA SER 21 HA SER 21 -1.536 -3.184 -18.610 151 1HB SER 21 1HB SER 21 -2.082 -3.591 -16.219 152 2HB SER 21 2HB SER 21 -0.801 -2.469 -15.761 153 HG SER 21 HG SER 21 -2.814 -1.647 -17.541 154 H GLN 22 H GLN 22 1.481 -2.356 -16.958 155 HA GLN 22 HA GLN 22 1.624 0.338 -17.656 156 1HB GLN 22 1HB GLN 22 3.871 -1.650 -17.288 157 2HB GLN 22 2HB GLN 22 4.073 0.097 -17.340 158 1HG GLN 22 1HG GLN 22 2.756 -1.579 -15.239 159 2HG GLN 22 2HG GLN 22 4.082 -0.429 -15.073 160 1HE2 GLN 22 1HE2 GLN 22 0.856 -0.907 -14.573 161 2HE2 GLN 22 2HE2 GLN 22 0.344 0.737 -14.435 162 H ILE 23 H ILE 23 3.080 -2.455 -19.326 163 HA ILE 23 HA ILE 23 4.150 -1.060 -21.489 164 HB ILE 23 HB ILE 23 3.149 -3.900 -21.316 165 1HG1 ILE 23 1HG1 ILE 23 5.957 -2.773 -21.344 166 2HG1 ILE 23 2HG1 ILE 23 5.088 -3.252 -19.890 167 1HG2 ILE 23 1HG2 ILE 23 4.961 -3.835 -23.377 168 2HG2 ILE 23 2HG2 ILE 23 3.209 -3.913 -23.548 169 3HG2 ILE 23 3HG2 ILE 23 4.033 -2.356 -23.623 170 1HD1 ILE 23 1HD1 ILE 23 5.371 -5.461 -20.288 171 2HD1 ILE 23 2HD1 ILE 23 5.337 -5.265 -22.041 172 3HD1 ILE 23 3HD1 ILE 23 6.793 -4.853 -21.135 173 H GLU 24 H GLU 24 0.908 -2.320 -20.957 174 HA GLU 24 HA GLU 24 -0.033 -1.900 -23.603 175 1HB GLU 24 1HB GLU 24 -1.016 -3.177 -21.406 176 2HB GLU 24 2HB GLU 24 -2.009 -1.726 -21.425 177 1HG GLU 24 1HG GLU 24 -1.720 -3.056 -24.022 178 2HG GLU 24 2HG GLU 24 -2.562 -3.994 -22.790 179 H ASP 25 H ASP 25 0.224 0.119 -20.767 180 HA ASP 25 HA ASP 25 -1.510 2.188 -21.674 181 1HB ASP 25 1HB ASP 25 -0.842 1.808 -19.283 182 2HB ASP 25 2HB ASP 25 0.756 2.427 -19.688 183 H ALA 26 H ALA 26 2.048 2.011 -21.459 184 HA ALA 26 HA ALA 26 2.619 4.400 -22.756 185 1HB ALA 26 1HB ALA 26 4.122 1.860 -22.344 186 2HB ALA 26 2HB ALA 26 4.784 3.086 -23.426 187 3HB ALA 26 3HB ALA 26 4.460 3.481 -21.738 188 H MET 27 H MET 27 2.025 1.186 -24.100 189 HA MET 27 HA MET 27 2.699 1.791 -26.768 190 1HB MET 27 1HB MET 27 1.433 -0.400 -25.325 191 2HB MET 27 2HB MET 27 0.730 -0.159 -26.918 192 1HG MET 27 1HG MET 27 2.600 -0.816 -28.000 193 2HG MET 27 2HG MET 27 3.676 -0.165 -26.765 194 1HE MET 27 1HE MET 27 1.616 -4.260 -26.772 195 2HE MET 27 2HE MET 27 0.666 -2.887 -26.204 196 3HE MET 27 3HE MET 27 1.300 -2.900 -27.850 197 H ARG 28 H ARG 28 -0.389 1.895 -25.026 198 HA ARG 28 HA ARG 28 -2.093 2.487 -27.121 199 1HB ARG 28 1HB ARG 28 -3.056 2.041 -25.006 200 2HB ARG 28 2HB ARG 28 -2.129 3.317 -24.227 201 1HG ARG 28 1HG ARG 28 -3.670 4.854 -24.683 202 2HG ARG 28 2HG ARG 28 -3.823 4.322 -26.359 203 1HD ARG 28 1HD ARG 28 -5.360 2.602 -25.750 204 2HD ARG 28 2HD ARG 28 -5.063 2.867 -24.033 205 HE ARG 28 HE ARG 28 -6.871 4.310 -25.702 206 1HH1 ARG 28 1HH1 ARG 28 -4.785 4.584 -22.928 207 2HH1 ARG 28 2HH1 ARG 28 -5.682 5.886 -22.219 208 1HH2 ARG 28 1HH2 ARG 28 -8.060 6.024 -24.779 209 2HH2 ARG 28 2HH2 ARG 28 -7.545 6.704 -23.272 210 H LYS 29 H LYS 29 -0.364 4.799 -25.031 211 HA LYS 29 HA LYS 29 -1.171 7.061 -26.587 212 1HB LYS 29 1HB LYS 29 1.119 6.959 -24.626 213 2HB LYS 29 2HB LYS 29 0.174 8.362 -25.107 214 1HG LYS 29 1HG LYS 29 -1.783 7.445 -23.988 215 2HG LYS 29 2HG LYS 29 -0.858 6.013 -23.528 216 1HD LYS 29 1HD LYS 29 0.077 7.062 -21.790 217 2HD LYS 29 2HD LYS 29 0.466 8.484 -22.760 218 1HE LYS 29 1HE LYS 29 -1.838 9.279 -22.504 219 2HE LYS 29 2HE LYS 29 -2.218 7.860 -21.530 220 1HZ LYS 29 1HZ LYS 29 -1.571 10.100 -20.405 221 2HZ LYS 29 2HZ LYS 29 0.011 9.585 -20.712 222 3HZ LYS 29 3HZ LYS 29 -1.017 8.635 -19.763 223 H ALA 30 H ALA 30 1.435 4.801 -26.708 224 HA ALA 30 HA ALA 30 3.314 6.380 -28.123 225 1HB ALA 30 1HB ALA 30 2.962 3.395 -27.928 226 2HB ALA 30 2HB ALA 30 4.320 4.176 -28.738 227 3HB ALA 30 3HB ALA 30 4.072 4.411 -27.008 228 H GLY 31 H GLY 31 0.484 4.601 -29.082 229 1HA GLY 31 1HA GLY 31 -0.519 4.271 -31.122 230 2HA GLY 31 2HA GLY 31 0.179 5.829 -31.538 231 H VAL 32 H VAL 32 0.783 2.352 -31.505 232 HA VAL 32 HA VAL 32 2.439 2.688 -33.899 233 HB VAL 32 HB VAL 32 3.990 0.894 -32.990 234 1HG1 VAL 32 1HG1 VAL 32 4.542 3.318 -33.194 235 2HG1 VAL 32 2HG1 VAL 32 4.050 3.519 -31.511 236 3HG1 VAL 32 3HG1 VAL 32 5.419 2.482 -31.913 237 1HG2 VAL 32 1HG2 VAL 32 2.160 0.890 -30.889 238 2HG2 VAL 32 2HG2 VAL 32 3.710 0.051 -30.949 239 3HG2 VAL 32 3HG2 VAL 32 3.606 1.660 -30.235 240 H ALA 33 H ALA 33 3.009 0.375 -34.761 241 HA ALA 33 HA ALA 33 0.468 -1.062 -34.924 242 1HB ALA 33 1HB ALA 33 2.707 -0.588 -36.734 243 2HB ALA 33 2HB ALA 33 2.136 -2.257 -36.740 244 3HB ALA 33 3HB ALA 33 1.015 -0.941 -37.088 245 H HIS 34 H HIS 34 0.521 -2.217 -32.977 246 HA HIS 34 HA HIS 34 2.690 -3.764 -32.078 247 1HB HIS 34 1HB HIS 34 -0.215 -4.380 -31.543 248 2HB HIS 34 2HB HIS 34 1.171 -4.737 -30.518 249 HD1 HIS 34 HD1 HIS 34 -1.384 -3.034 -29.686 250 HD2 HIS 34 HD2 HIS 34 2.331 -1.530 -30.778 251 HE1 HIS 34 HE1 HIS 34 -1.251 -0.750 -28.643 252 H SER 35 H SER 35 3.482 -5.652 -32.736 253 HA SER 35 HA SER 35 2.747 -6.922 -35.072 254 1HB SER 35 1HB SER 35 4.393 -7.687 -32.713 255 2HB SER 35 2HB SER 35 3.920 -8.977 -33.819 256 HG SER 35 HG SER 35 5.243 -6.573 -34.551 257 H LYS 36 H LYS 36 1.819 -7.743 -31.748 258 HA LYS 36 HA LYS 36 -0.446 -9.262 -32.841 259 1HB LYS 36 1HB LYS 36 1.654 -10.570 -31.812 260 2HB LYS 36 2HB LYS 36 0.783 -10.243 -30.319 261 1HG LYS 36 1HG LYS 36 -1.090 -11.478 -31.015 262 2HG LYS 36 2HG LYS 36 -0.540 -11.519 -32.692 263 1HD LYS 36 1HD LYS 36 1.035 -13.149 -32.275 264 2HD LYS 36 2HD LYS 36 1.169 -12.731 -30.565 265 1HE LYS 36 1HE LYS 36 0.043 -14.802 -30.635 266 2HE LYS 36 2HE LYS 36 -1.197 -13.593 -30.310 267 1HZ LYS 36 1HZ LYS 36 -1.247 -13.690 -32.978 268 2HZ LYS 36 2HZ LYS 36 -2.250 -14.622 -31.984 269 3HZ LYS 36 3HZ LYS 36 -0.835 -15.292 -32.626 270 H SER 37 H SER 37 0.789 -8.431 -29.601 271 HA SER 37 HA SER 37 -1.052 -6.420 -29.021 272 1HB SER 37 1HB SER 37 -2.864 -7.928 -29.145 273 2HB SER 37 2HB SER 37 -1.966 -9.207 -28.326 274 HG SER 37 HG SER 37 -2.659 -8.448 -26.504 275 H SER 38 H SER 38 -1.087 -5.844 -26.722 276 HA SER 38 HA SER 38 1.410 -5.855 -25.553 277 1HB SER 38 1HB SER 38 0.342 -5.009 -23.541 278 2HB SER 38 2HB SER 38 -0.446 -4.307 -24.954 279 HG SER 38 HG SER 38 -2.216 -5.448 -24.561 280 H LYS 39 H LYS 39 -1.379 -7.879 -24.649 281 HA LYS 39 HA LYS 39 -0.231 -9.346 -22.618 282 1HB LYS 39 1HB LYS 39 -2.489 -9.674 -24.440 283 2HB LYS 39 2HB LYS 39 -1.797 -11.210 -23.935 284 1HG LYS 39 1HG LYS 39 -1.930 -10.019 -21.554 285 2HG LYS 39 2HG LYS 39 -3.250 -9.171 -22.364 286 1HD LYS 39 1HD LYS 39 -4.415 -11.181 -22.783 287 2HD LYS 39 2HD LYS 39 -3.006 -12.169 -22.392 288 1HE LYS 39 1HE LYS 39 -3.345 -10.787 -20.079 289 2HE LYS 39 2HE LYS 39 -5.012 -10.945 -20.628 290 1HZ LYS 39 1HZ LYS 39 -3.086 -13.172 -20.236 291 2HZ LYS 39 2HZ LYS 39 -4.667 -13.342 -20.812 292 3HZ LYS 39 3HZ LYS 39 -4.397 -12.801 -19.232 293 H ASP 40 H ASP 40 -0.058 -9.922 -26.106 294 HA ASP 40 HA ASP 40 1.445 -12.337 -25.872 295 1HB ASP 40 1HB ASP 40 0.632 -10.529 -28.101 296 2HB ASP 40 2HB ASP 40 1.963 -11.647 -28.386 297 H MET 41 H MET 41 2.237 -8.942 -26.137 298 HA MET 41 HA MET 41 4.978 -9.270 -26.794 299 1HB MET 41 1HB MET 41 3.211 -7.060 -25.972 300 2HB MET 41 2HB MET 41 4.898 -6.864 -25.515 301 1HG MET 41 1HG MET 41 5.326 -6.139 -27.555 302 2HG MET 41 2HG MET 41 4.911 -7.734 -28.178 303 1HE MET 41 1HE MET 41 5.002 -5.327 -29.641 304 2HE MET 41 2HE MET 41 3.616 -5.574 -30.704 305 3HE MET 41 3HE MET 41 3.662 -4.181 -29.622 306 H GLU 42 H GLU 42 3.372 -8.486 -23.706 307 HA GLU 42 HA GLU 42 5.695 -8.591 -22.130 308 1HB GLU 42 1HB GLU 42 2.846 -9.151 -21.287 309 2HB GLU 42 2HB GLU 42 4.180 -8.747 -20.216 310 1HG GLU 42 1HG GLU 42 3.741 -6.599 -20.460 311 2HG GLU 42 2HG GLU 42 4.009 -6.728 -22.197 312 H SER 43 H SER 43 3.371 -11.073 -23.058 313 HA SER 43 HA SER 43 4.229 -13.114 -21.346 314 1HB SER 43 1HB SER 43 2.265 -13.711 -22.368 315 2HB SER 43 2HB SER 43 2.723 -12.990 -23.910 316 HG SER 43 HG SER 43 3.264 -14.918 -24.506 317 H HIS 44 H HIS 44 5.282 -12.265 -24.626 318 HA HIS 44 HA HIS 44 7.116 -14.375 -24.947 319 1HB HIS 44 1HB HIS 44 6.226 -12.873 -26.767 320 2HB HIS 44 2HB HIS 44 7.329 -11.628 -26.188 321 HD1 HIS 44 HD1 HIS 44 8.251 -11.900 -28.733 322 HD2 HIS 44 HD2 HIS 44 9.024 -15.027 -26.108 323 HE1 HIS 44 HE1 HIS 44 10.115 -13.219 -29.788 324 H VAL 45 H VAL 45 7.478 -11.110 -23.643 325 HA VAL 45 HA VAL 45 10.256 -11.071 -23.361 326 HB VAL 45 HB VAL 45 8.291 -9.772 -21.473 327 1HG1 VAL 45 1HG1 VAL 45 11.041 -9.864 -21.388 328 2HG1 VAL 45 2HG1 VAL 45 10.713 -8.328 -22.192 329 3HG1 VAL 45 3HG1 VAL 45 10.020 -8.659 -20.604 330 1HG2 VAL 45 1HG2 VAL 45 7.549 -8.555 -23.177 331 2HG2 VAL 45 2HG2 VAL 45 9.182 -7.927 -23.402 332 3HG2 VAL 45 3HG2 VAL 45 8.659 -9.362 -24.284 333 H PHE 46 H PHE 46 7.742 -12.282 -21.187 334 HA PHE 46 HA PHE 46 9.413 -12.871 -19.002 335 1HB PHE 46 1HB PHE 46 6.828 -12.808 -19.138 336 2HB PHE 46 2HB PHE 46 6.963 -14.481 -19.667 337 HD1 PHE 46 HD1 PHE 46 6.811 -12.290 -16.880 338 HD2 PHE 46 HD2 PHE 46 8.256 -16.089 -18.143 339 HE1 PHE 46 HE1 PHE 46 6.947 -13.015 -14.533 340 HE2 PHE 46 HE2 PHE 46 8.394 -16.820 -15.798 341 HZ PHE 46 HZ PHE 46 7.738 -15.282 -13.989 342 H LEU 47 H LEU 47 8.057 -15.097 -21.440 343 HA LEU 47 HA LEU 47 9.555 -17.334 -20.663 344 1HB LEU 47 1HB LEU 47 8.181 -16.556 -23.210 345 2HB LEU 47 2HB LEU 47 9.104 -18.053 -23.100 346 HG LEU 47 HG LEU 47 7.021 -17.578 -21.039 347 1HD1 LEU 47 1HD1 LEU 47 5.629 -18.875 -23.017 348 2HD1 LEU 47 2HD1 LEU 47 6.478 -17.607 -23.900 349 3HD1 LEU 47 3HD1 LEU 47 5.426 -17.187 -22.548 350 1HD2 LEU 47 1HD2 LEU 47 8.398 -19.837 -22.365 351 2HD2 LEU 47 2HD2 LEU 47 6.728 -20.102 -21.862 352 3HD2 LEU 47 3HD2 LEU 47 7.940 -19.617 -20.675 353 H LYS 48 H LYS 48 10.461 -14.524 -22.389 354 HA LYS 48 HA LYS 48 12.784 -15.771 -23.622 355 1HB LYS 48 1HB LYS 48 11.690 -14.128 -24.970 356 2HB LYS 48 2HB LYS 48 11.698 -12.956 -23.658 357 1HG LYS 48 1HG LYS 48 13.907 -12.429 -23.955 358 2HG LYS 48 2HG LYS 48 14.299 -13.997 -24.665 359 1HD LYS 48 1HD LYS 48 13.219 -13.399 -26.724 360 2HD LYS 48 2HD LYS 48 12.602 -11.903 -26.019 361 1HE LYS 48 1HE LYS 48 15.194 -11.509 -25.575 362 2HE LYS 48 2HE LYS 48 15.332 -12.583 -26.966 363 1HZ LYS 48 1HZ LYS 48 13.481 -10.312 -27.113 364 2HZ LYS 48 2HZ LYS 48 14.350 -11.072 -28.349 365 3HZ LYS 48 3HZ LYS 48 15.138 -10.019 -27.285 366 H ALA 49 H ALA 49 11.946 -13.979 -20.796 367 HA ALA 49 HA ALA 49 14.656 -13.153 -20.212 368 1HB ALA 49 1HB ALA 49 12.036 -12.498 -19.257 369 2HB ALA 49 2HB ALA 49 13.081 -12.914 -17.898 370 3HB ALA 49 3HB ALA 49 13.558 -11.639 -19.019 371 H LYS 50 H LYS 50 15.862 -13.858 -18.379 372 HA LYS 50 HA LYS 50 15.370 -16.676 -17.730 373 1HB LYS 50 1HB LYS 50 17.766 -15.035 -18.142 374 2HB LYS 50 2HB LYS 50 17.864 -16.089 -16.737 375 1HG LYS 50 1HG LYS 50 18.502 -17.693 -18.129 376 2HG LYS 50 2HG LYS 50 16.840 -17.720 -18.724 377 1HD LYS 50 1HD LYS 50 17.751 -15.685 -20.180 378 2HD LYS 50 2HD LYS 50 19.279 -16.533 -19.931 379 1HE LYS 50 1HE LYS 50 17.502 -18.547 -20.589 380 2HE LYS 50 2HE LYS 50 17.024 -17.211 -21.634 381 1HZ LYS 50 1HZ LYS 50 19.664 -17.137 -21.922 382 2HZ LYS 50 2HZ LYS 50 18.648 -18.041 -22.927 383 3HZ LYS 50 3HZ LYS 50 19.458 -18.794 -21.647 384 H THR 51 H THR 51 15.526 -13.513 -16.348 385 HA THR 51 HA THR 51 14.645 -14.580 -13.792 386 HB THR 51 HB THR 51 16.271 -13.334 -12.471 387 HG1 THR 51 HG1 THR 51 18.170 -12.547 -13.784 388 1HG2 THR 51 1HG2 THR 51 18.259 -14.678 -12.931 389 2HG2 THR 51 2HG2 THR 51 17.625 -15.088 -14.525 390 3HG2 THR 51 3HG2 THR 51 16.799 -15.655 -13.074 391 H ARG 52 H ARG 52 14.158 -12.687 -12.247 392 HA ARG 52 HA ARG 52 12.213 -11.062 -13.371 393 1HB ARG 52 1HB ARG 52 12.063 -9.972 -11.270 394 2HB ARG 52 2HB ARG 52 12.531 -11.632 -10.925 395 1HG ARG 52 1HG ARG 52 14.880 -10.882 -10.719 396 2HG ARG 52 2HG ARG 52 14.330 -9.219 -10.941 397 1HD ARG 52 1HD ARG 52 12.902 -9.448 -8.952 398 2HD ARG 52 2HD ARG 52 13.503 -11.090 -8.724 399 HE ARG 52 HE ARG 52 15.763 -9.606 -8.753 400 1HH1 ARG 52 1HH1 ARG 52 12.780 -9.382 -6.971 401 2HH1 ARG 52 2HH1 ARG 52 13.516 -8.664 -5.577 402 1HH2 ARG 52 1HH2 ARG 52 16.743 -8.661 -6.923 403 2HH2 ARG 52 2HH2 ARG 52 15.769 -8.254 -5.551 404 H ASP 53 H ASP 53 15.639 -10.584 -13.136 405 HA ASP 53 HA ASP 53 15.633 -7.765 -13.566 406 1HB ASP 53 1HB ASP 53 17.578 -8.693 -12.558 407 2HB ASP 53 2HB ASP 53 17.763 -9.883 -13.843 408 H GLU 54 H GLU 54 16.349 -10.527 -15.703 409 HA GLU 54 HA GLU 54 16.805 -9.158 -18.052 410 1HB GLU 54 1HB GLU 54 17.026 -11.645 -17.646 411 2HB GLU 54 2HB GLU 54 15.289 -11.762 -17.892 412 1HG GLU 54 1HG GLU 54 15.434 -11.286 -20.138 413 2HG GLU 54 2HG GLU 54 16.981 -10.459 -19.970 414 H TYR 55 H TYR 55 13.687 -10.369 -16.837 415 HA TYR 55 HA TYR 55 12.117 -9.419 -18.960 416 1HB TYR 55 1HB TYR 55 11.183 -11.047 -17.484 417 2HB TYR 55 2HB TYR 55 11.444 -10.020 -16.079 418 HD1 TYR 55 HD1 TYR 55 9.450 -10.370 -19.183 419 HD2 TYR 55 HD2 TYR 55 9.816 -8.447 -15.405 420 HE1 TYR 55 HE1 TYR 55 7.175 -9.469 -19.428 421 HE2 TYR 55 HE2 TYR 55 7.541 -7.542 -15.639 422 HH TYR 55 HH TYR 55 5.353 -8.645 -17.961 423 H LEU 56 H LEU 56 12.531 -8.017 -15.703 424 HA LEU 56 HA LEU 56 11.127 -5.672 -16.089 425 1HB LEU 56 1HB LEU 56 13.422 -6.433 -14.346 426 2HB LEU 56 2HB LEU 56 12.917 -4.746 -14.410 427 HG LEU 56 HG LEU 56 10.844 -6.805 -13.855 428 1HD1 LEU 56 1HD1 LEU 56 11.951 -7.643 -12.116 429 2HD1 LEU 56 2HD1 LEU 56 11.741 -6.068 -11.351 430 3HD1 LEU 56 3HD1 LEU 56 13.223 -6.427 -12.238 431 1HD2 LEU 56 1HD2 LEU 56 11.311 -3.924 -13.418 432 2HD2 LEU 56 2HD2 LEU 56 10.439 -4.776 -12.143 433 3HD2 LEU 56 3HD2 LEU 56 9.822 -4.791 -13.796 434 H SER 57 H SER 57 14.297 -6.547 -17.219 435 HA SER 57 HA SER 57 15.136 -3.889 -17.868 436 1HB SER 57 1HB SER 57 16.560 -6.066 -17.500 437 2HB SER 57 2HB SER 57 16.266 -6.314 -19.222 438 HG SER 57 HG SER 57 16.993 -3.908 -19.212 439 H LEU 58 H LEU 58 14.112 -6.662 -19.864 440 HA LEU 58 HA LEU 58 14.054 -5.281 -22.303 441 1HB LEU 58 1HB LEU 58 12.798 -7.787 -21.280 442 2HB LEU 58 2HB LEU 58 12.299 -7.149 -22.846 443 HG LEU 58 HG LEU 58 15.209 -7.462 -22.425 444 1HD1 LEU 58 1HD1 LEU 58 13.486 -9.874 -22.944 445 2HD1 LEU 58 2HD1 LEU 58 14.174 -9.490 -21.367 446 3HD1 LEU 58 3HD1 LEU 58 15.237 -9.814 -22.736 447 1HD2 LEU 58 1HD2 LEU 58 13.401 -8.251 -24.703 448 2HD2 LEU 58 2HD2 LEU 58 15.157 -8.090 -24.736 449 3HD2 LEU 58 3HD2 LEU 58 14.143 -6.661 -24.529 450 H VAL 59 H VAL 59 11.615 -5.705 -19.799 451 HA VAL 59 HA VAL 59 9.429 -4.644 -21.236 452 HB VAL 59 HB VAL 59 9.903 -4.672 -18.252 453 1HG1 VAL 59 1HG1 VAL 59 7.743 -3.612 -19.888 454 2HG1 VAL 59 2HG1 VAL 59 7.187 -4.792 -18.698 455 3HG1 VAL 59 3HG1 VAL 59 8.091 -3.370 -18.176 456 1HG2 VAL 59 1HG2 VAL 59 9.632 -6.818 -19.942 457 2HG2 VAL 59 2HG2 VAL 59 9.275 -6.820 -18.215 458 3HG2 VAL 59 3HG2 VAL 59 7.980 -6.553 -19.382 459 H ALA 60 H ALA 60 11.490 -3.125 -18.750 460 HA ALA 60 HA ALA 60 10.456 -0.573 -18.827 461 1HB ALA 60 1HB ALA 60 11.988 -0.894 -17.139 462 2HB ALA 60 2HB ALA 60 13.169 -1.650 -18.208 463 3HB ALA 60 3HB ALA 60 12.915 0.094 -18.268 464 H ARG 61 H ARG 61 13.261 -1.747 -20.698 465 HA ARG 61 HA ARG 61 13.766 0.515 -22.183 466 1HB ARG 61 1HB ARG 61 15.100 -1.631 -22.145 467 2HB ARG 61 2HB ARG 61 13.933 -2.291 -23.283 468 1HG ARG 61 1HG ARG 61 14.688 0.114 -24.423 469 2HG ARG 61 2HG ARG 61 16.182 -0.535 -23.745 470 1HD ARG 61 1HD ARG 61 15.048 -2.742 -24.908 471 2HD ARG 61 2HD ARG 61 14.592 -1.451 -26.019 472 HE ARG 61 HE ARG 61 17.177 -2.578 -25.695 473 1HH1 ARG 61 1HH1 ARG 61 15.528 0.418 -26.346 474 2HH1 ARG 61 2HH1 ARG 61 16.849 1.104 -27.233 475 1HH2 ARG 61 1HH2 ARG 61 18.923 -1.686 -26.860 476 2HH2 ARG 61 2HH2 ARG 61 18.779 -0.094 -27.525 477 H LEU 62 H LEU 62 11.492 -2.108 -22.929 478 HA LEU 62 HA LEU 62 10.631 -1.131 -25.413 479 1HB LEU 62 1HB LEU 62 9.974 -3.259 -23.663 480 2HB LEU 62 2HB LEU 62 8.475 -2.433 -24.081 481 HG LEU 62 HG LEU 62 10.434 -3.734 -25.966 482 1HD1 LEU 62 1HD1 LEU 62 8.626 -5.221 -26.477 483 2HD1 LEU 62 2HD1 LEU 62 7.521 -4.307 -25.452 484 3HD1 LEU 62 3HD1 LEU 62 8.856 -5.203 -24.729 485 1HD2 LEU 62 1HD2 LEU 62 8.111 -2.960 -27.333 486 2HD2 LEU 62 2HD2 LEU 62 9.747 -2.336 -27.547 487 3HD2 LEU 62 3HD2 LEU 62 8.639 -1.543 -26.425 488 H ILE 63 H ILE 63 9.310 -0.655 -22.151 489 HA ILE 63 HA ILE 63 7.106 0.917 -22.904 490 HB ILE 63 HB ILE 63 8.657 0.831 -20.317 491 1HG1 ILE 63 1HG1 ILE 63 5.959 -0.313 -21.072 492 2HG1 ILE 63 2HG1 ILE 63 7.455 -1.236 -20.993 493 1HG2 ILE 63 1HG2 ILE 63 6.129 1.791 -19.747 494 2HG2 ILE 63 2HG2 ILE 63 7.623 2.726 -19.769 495 3HG2 ILE 63 3HG2 ILE 63 6.596 2.670 -21.202 496 1HD1 ILE 63 1HD1 ILE 63 6.385 -1.688 -18.981 497 2HD1 ILE 63 2HD1 ILE 63 7.579 -0.459 -18.561 498 3HD1 ILE 63 3HD1 ILE 63 5.885 -0.011 -18.761 499 H ILE 64 H ILE 64 10.278 1.927 -21.621 500 HA ILE 64 HA ILE 64 9.958 4.658 -21.736 501 HB ILE 64 HB ILE 64 12.429 3.007 -22.243 502 1HG1 ILE 64 1HG1 ILE 64 12.359 4.661 -19.861 503 2HG1 ILE 64 2HG1 ILE 64 10.976 3.575 -19.923 504 1HG2 ILE 64 1HG2 ILE 64 13.660 5.151 -21.759 505 2HG2 ILE 64 2HG2 ILE 64 12.858 5.070 -23.326 506 3HG2 ILE 64 3HG2 ILE 64 12.131 5.992 -22.010 507 1HD1 ILE 64 1HD1 ILE 64 12.231 1.859 -19.320 508 2HD1 ILE 64 2HD1 ILE 64 13.381 2.174 -20.620 509 3HD1 ILE 64 3HD1 ILE 64 13.560 2.990 -19.067 510 H HIS 65 H HIS 65 10.776 2.435 -24.345 511 HA HIS 65 HA HIS 65 11.357 4.427 -26.282 512 1HB HIS 65 1HB HIS 65 11.627 1.703 -26.172 513 2HB HIS 65 2HB HIS 65 10.288 1.885 -27.301 514 HD1 HIS 65 HD1 HIS 65 13.220 0.897 -28.030 515 HD2 HIS 65 HD2 HIS 65 11.677 4.703 -28.660 516 HE1 HIS 65 HE1 HIS 65 14.595 1.880 -29.891 517 H PHE 66 H PHE 66 8.426 2.667 -25.401 518 HA PHE 66 HA PHE 66 6.817 3.609 -27.521 519 1HB PHE 66 1HB PHE 66 6.237 2.428 -24.822 520 2HB PHE 66 2HB PHE 66 4.927 3.056 -25.817 521 HD1 PHE 66 HD1 PHE 66 5.345 2.249 -28.444 522 HD2 PHE 66 HD2 PHE 66 6.396 0.151 -24.893 523 HE1 PHE 66 HE1 PHE 66 5.264 0.123 -29.681 524 HE2 PHE 66 HE2 PHE 66 6.318 -1.978 -26.124 525 HZ PHE 66 HZ PHE 66 5.752 -1.994 -28.521 526 H ARG 67 H ARG 67 7.230 4.744 -24.180 527 HA ARG 67 HA ARG 67 5.384 6.831 -24.241 528 1HB ARG 67 1HB ARG 67 7.960 6.521 -22.698 529 2HB ARG 67 2HB ARG 67 6.829 7.841 -22.429 530 1HG ARG 67 1HG ARG 67 5.360 6.538 -21.330 531 2HG ARG 67 2HG ARG 67 5.673 5.136 -22.355 532 1HD ARG 67 1HD ARG 67 6.438 4.649 -20.133 533 2HD ARG 67 2HD ARG 67 7.841 4.833 -21.184 534 HE ARG 67 HE ARG 67 8.480 6.656 -19.955 535 1HH1 ARG 67 1HH1 ARG 67 5.162 5.892 -19.227 536 2HH1 ARG 67 2HH1 ARG 67 5.053 7.021 -17.918 537 1HH2 ARG 67 1HH2 ARG 67 8.348 8.146 -18.233 538 2HH2 ARG 67 2HH2 ARG 67 6.866 8.303 -17.354 539 H ASP 68 H ASP 68 8.851 6.859 -25.020 540 HA ASP 68 HA ASP 68 9.137 9.568 -25.562 541 1HB ASP 68 1HB ASP 68 11.021 7.979 -25.411 542 2HB ASP 68 2HB ASP 68 10.531 7.267 -26.946 543 H ILE 69 H ILE 69 8.231 6.934 -27.767 544 HA ILE 69 HA ILE 69 8.057 8.398 -30.122 545 HB ILE 69 HB ILE 69 6.345 6.060 -29.271 546 1HG1 ILE 69 1HG1 ILE 69 8.637 5.835 -31.166 547 2HG1 ILE 69 2HG1 ILE 69 8.998 5.990 -29.450 548 1HG2 ILE 69 1HG2 ILE 69 6.829 7.280 -31.983 549 2HG2 ILE 69 2HG2 ILE 69 6.080 5.705 -31.723 550 3HG2 ILE 69 3HG2 ILE 69 5.296 7.165 -31.118 551 1HD1 ILE 69 1HD1 ILE 69 8.797 3.779 -29.385 552 2HD1 ILE 69 2HD1 ILE 69 7.058 4.055 -29.491 553 3HD1 ILE 69 3HD1 ILE 69 7.987 3.719 -30.951 554 H HIS 70 H HIS 70 5.633 7.903 -27.591 555 HA HIS 70 HA HIS 70 3.457 9.116 -28.846 556 1HB HIS 70 1HB HIS 70 3.103 7.878 -26.827 557 2HB HIS 70 2HB HIS 70 4.200 8.920 -25.925 558 HD1 HIS 70 HD1 HIS 70 2.536 9.761 -24.218 559 HD2 HIS 70 HD2 HIS 70 1.279 10.348 -28.134 560 HE1 HIS 70 HE1 HIS 70 0.504 11.234 -24.058 561 H ASN 71 H ASN 71 5.741 10.578 -26.526 562 HA ASN 71 HA ASN 71 4.753 13.199 -26.783 563 1HB ASN 71 1HB ASN 71 7.082 11.896 -25.554 564 2HB ASN 71 2HB ASN 71 7.382 13.552 -26.075 565 1HD2 ASN 71 1HD2 ASN 71 7.196 14.872 -24.427 566 2HD2 ASN 71 2HD2 ASN 71 5.976 14.815 -23.205 567 H LYS 72 H LYS 72 6.957 11.337 -28.710 568 HA LYS 72 HA LYS 72 8.012 11.748 -30.682 569 1HB LYS 72 1HB LYS 72 5.671 12.595 -31.220 570 2HB LYS 72 2HB LYS 72 6.290 14.213 -30.920 571 1HG LYS 72 1HG LYS 72 8.138 13.292 -32.662 572 2HG LYS 72 2HG LYS 72 6.704 12.421 -33.210 573 1HD LYS 72 1HD LYS 72 5.487 14.569 -33.326 574 2HD LYS 72 2HD LYS 72 6.971 15.408 -32.866 575 1HE LYS 72 1HE LYS 72 7.620 13.712 -35.023 576 2HE LYS 72 2HE LYS 72 6.118 14.528 -35.452 577 1HZ LYS 72 1HZ LYS 72 7.107 16.595 -35.338 578 2HZ LYS 72 2HZ LYS 72 8.346 15.654 -36.001 579 3HZ LYS 72 3HZ LYS 72 8.382 16.065 -34.361 580 H LYS 73 H LYS 73 10.026 12.187 -29.782 581 HA LYS 73 HA LYS 73 10.683 14.963 -29.156 582 1HB LYS 73 1HB LYS 73 11.434 12.627 -27.967 583 2HB LYS 73 2HB LYS 73 12.813 12.931 -29.017 584 1HG LYS 73 1HG LYS 73 12.948 15.226 -28.022 585 2HG LYS 73 2HG LYS 73 11.725 14.717 -26.855 586 1HD LYS 73 1HD LYS 73 13.219 13.578 -25.643 587 2HD LYS 73 2HD LYS 73 13.918 12.818 -27.075 588 1HE LYS 73 1HE LYS 73 14.842 15.335 -27.363 589 2HE LYS 73 2HE LYS 73 14.749 15.238 -25.605 590 1HZ LYS 73 1HZ LYS 73 16.087 13.159 -27.233 591 2HZ LYS 73 2HZ LYS 73 16.222 13.431 -25.569 592 3HZ LYS 73 3HZ LYS 73 16.908 14.524 -26.663 593 H SER 74 H SER 74 12.670 15.909 -30.031 594 HA SER 74 HA SER 74 12.756 15.643 -32.875 595 1HB SER 74 1HB SER 74 13.319 17.677 -31.146 596 2HB SER 74 2HB SER 74 14.942 17.142 -31.581 597 HG SER 74 HG SER 74 13.609 18.767 -32.957 598 H GLN 75 H GLN 75 13.654 13.867 -33.721 599 HA GLN 75 HA GLN 75 15.214 12.317 -34.299 600 1HB GLN 75 1HB GLN 75 16.594 14.542 -34.309 601 2HB GLN 75 2HB GLN 75 17.338 13.868 -32.866 602 1HG GLN 75 1HG GLN 75 17.966 11.867 -34.158 603 2HG GLN 75 2HG GLN 75 17.288 12.617 -35.602 604 1HE2 GLN 75 1HE2 GLN 75 19.713 13.045 -33.076 605 2HE2 GLN 75 2HE2 GLN 75 20.825 13.944 -34.046 606 H ALA 76 H ALA 76 14.476 10.634 -33.045 607 HA ALA 76 HA ALA 76 16.180 9.911 -30.810 608 1HB ALA 76 1HB ALA 76 13.297 9.609 -30.217 609 2HB ALA 76 2HB ALA 76 14.652 9.938 -29.136 610 3HB ALA 76 3HB ALA 76 13.969 11.237 -30.114 611 H SER 77 H SER 77 15.605 8.947 -33.535 612 HA SER 77 HA SER 77 15.388 6.968 -34.634 613 1HB SER 77 1HB SER 77 15.343 5.511 -32.006 614 2HB SER 77 2HB SER 77 16.058 5.012 -33.538 615 HG SER 77 HG SER 77 17.064 6.693 -31.563 616 H VAL 78 H VAL 78 13.090 8.187 -34.567 617 HA VAL 78 HA VAL 78 11.125 6.127 -33.800 618 HB VAL 78 HB VAL 78 10.940 8.195 -32.425 619 1HG1 VAL 78 1HG1 VAL 78 9.795 9.665 -34.734 620 2HG1 VAL 78 2HG1 VAL 78 10.598 10.276 -33.286 621 3HG1 VAL 78 3HG1 VAL 78 11.551 9.587 -34.601 622 1HG2 VAL 78 1HG2 VAL 78 8.781 7.698 -32.242 623 2HG2 VAL 78 2HG2 VAL 78 8.428 8.426 -33.809 624 3HG2 VAL 78 3HG2 VAL 78 8.927 6.737 -33.713 Start of MODEL 14 1 1H GLY 2 HT1 GLY 2 6.538 3.421 -12.624 2 1HA GLY 2 1HA GLY 2 7.937 5.346 -13.127 3 2HA GLY 2 2HA GLY 2 7.687 5.885 -11.473 4 H ALA 3 H ALA 3 8.253 2.525 -12.038 5 HA ALA 3 HA ALA 3 9.982 1.135 -11.529 6 1HB ALA 3 1HB ALA 3 12.312 2.561 -11.591 7 2HB ALA 3 2HB ALA 3 11.548 1.796 -12.985 8 3HB ALA 3 3HB ALA 3 11.269 3.506 -12.654 9 H MET 4 H MET 4 9.822 0.540 -9.453 10 HA MET 4 HA MET 4 10.985 2.330 -7.421 11 1HB MET 4 1HB MET 4 8.662 0.417 -7.147 12 2HB MET 4 2HB MET 4 9.418 1.255 -5.799 13 1HG MET 4 1HG MET 4 8.191 3.056 -6.157 14 2HG MET 4 2HG MET 4 8.713 3.136 -7.837 15 1HE MET 4 1HE MET 4 5.339 0.357 -6.494 16 2HE MET 4 2HE MET 4 6.902 0.611 -5.716 17 3HE MET 4 3HE MET 4 5.599 1.777 -5.481 18 H GLY 5 H GLY 5 9.941 -1.074 -7.398 19 1HA GLY 5 1HA GLY 5 12.522 -2.198 -7.447 20 2HA GLY 5 2HA GLY 5 12.044 -1.960 -5.773 21 H GLN 6 H GLN 6 11.422 -3.837 -4.944 22 HA GLN 6 HA GLN 6 10.340 -5.815 -4.647 23 1HB GLN 6 1HB GLN 6 8.551 -4.238 -6.358 24 2HB GLN 6 2HB GLN 6 8.305 -5.976 -6.479 25 1HG GLN 6 1HG GLN 6 8.364 -4.489 -3.867 26 2HG GLN 6 2HG GLN 6 6.890 -4.797 -4.784 27 1HE2 GLN 6 1HE2 GLN 6 8.848 -5.912 -2.367 28 2HE2 GLN 6 2HE2 GLN 6 8.315 -7.554 -2.309 29 H GLU 7 H GLU 7 11.822 -7.309 -5.259 30 HA GLU 7 HA GLU 7 11.478 -8.469 -7.917 31 1HB GLU 7 1HB GLU 7 14.013 -7.298 -6.845 32 2HB GLU 7 2HB GLU 7 14.099 -8.714 -7.884 33 1HG GLU 7 1HG GLU 7 13.662 -7.535 -9.721 34 2HG GLU 7 2HG GLU 7 12.374 -6.620 -8.940 35 H THR 8 H THR 8 10.525 -10.261 -6.984 36 HA THR 8 HA THR 8 12.338 -12.224 -5.930 37 HB THR 8 HB THR 8 10.084 -11.248 -4.164 38 HG1 THR 8 HG1 THR 8 11.855 -9.938 -3.878 39 1HG2 THR 8 1HG2 THR 8 10.112 -13.548 -3.806 40 2HG2 THR 8 2HG2 THR 8 11.221 -12.950 -2.572 41 3HG2 THR 8 3HG2 THR 8 11.854 -13.665 -4.054 42 H ASP 9 H ASP 9 8.824 -11.766 -5.584 43 HA ASP 9 HA ASP 9 8.409 -14.333 -6.918 44 1HB ASP 9 1HB ASP 9 6.214 -12.679 -5.710 45 2HB ASP 9 2HB ASP 9 6.317 -14.429 -5.884 46 H TRP 10 H TRP 10 9.182 -12.998 -8.898 47 HA TRP 10 HA TRP 10 7.250 -11.247 -10.090 48 1HB TRP 10 1HB TRP 10 8.755 -11.060 -11.905 49 2HB TRP 10 2HB TRP 10 9.774 -11.223 -10.478 50 HD1 TRP 10 HD1 TRP 10 10.311 -14.100 -10.033 51 HE1 TRP 10 HE1 TRP 10 11.317 -15.675 -11.802 52 HE3 TRP 10 HE3 TRP 10 9.132 -11.450 -14.242 53 HZ2 TRP 10 HZ2 TRP 10 11.576 -15.780 -14.611 54 HZ3 TRP 10 HZ3 TRP 10 9.795 -12.357 -16.431 55 HH2 TRP 10 HH2 TRP 10 10.992 -14.477 -16.610 56 H ARG 11 H ARG 11 7.319 -14.529 -9.672 57 HA ARG 11 HA ARG 11 6.124 -15.223 -12.230 58 1HB ARG 11 1HB ARG 11 7.260 -16.690 -9.941 59 2HB ARG 11 2HB ARG 11 5.869 -17.459 -10.692 60 1HG ARG 11 1HG ARG 11 6.955 -17.645 -12.767 61 2HG ARG 11 2HG ARG 11 8.226 -16.517 -12.290 62 1HD ARG 11 1HD ARG 11 9.375 -18.438 -11.951 63 2HD ARG 11 2HD ARG 11 8.561 -18.365 -10.389 64 HE ARG 11 HE ARG 11 6.945 -19.755 -12.228 65 1HH1 ARG 11 1HH1 ARG 11 9.901 -20.106 -10.422 66 2HH1 ARG 11 2HH1 ARG 11 9.797 -21.833 -10.337 67 1HH2 ARG 11 1HH2 ARG 11 6.797 -22.028 -12.122 68 2HH2 ARG 11 2HH2 ARG 11 8.031 -22.926 -11.305 69 H SER 12 H SER 12 4.954 -13.586 -9.785 70 HA SER 12 HA SER 12 2.534 -15.074 -9.241 71 1HB SER 12 1HB SER 12 3.142 -13.842 -7.372 72 2HB SER 12 2HB SER 12 3.678 -12.461 -8.328 73 HG SER 12 HG SER 12 1.161 -13.097 -7.384 74 H THR 13 H THR 13 0.492 -14.615 -9.979 75 HA THR 13 HA THR 13 0.172 -13.669 -12.566 76 HB THR 13 HB THR 13 -2.086 -13.488 -10.598 77 HG1 THR 13 HG1 THR 13 -1.386 -15.951 -11.779 78 1HG2 THR 13 1HG2 THR 13 -3.307 -14.501 -12.542 79 2HG2 THR 13 2HG2 THR 13 -1.827 -14.325 -13.484 80 3HG2 THR 13 3HG2 THR 13 -2.643 -12.897 -12.848 81 H ALA 14 H ALA 14 -0.550 -11.999 -9.506 82 HA ALA 14 HA ALA 14 -1.526 -9.619 -10.522 83 1HB ALA 14 1HB ALA 14 0.253 -9.461 -8.153 84 2HB ALA 14 2HB ALA 14 -1.363 -8.799 -8.405 85 3HB ALA 14 3HB ALA 14 -1.158 -10.515 -8.053 86 H PHE 15 H PHE 15 1.853 -10.418 -9.725 87 HA PHE 15 HA PHE 15 3.049 -8.025 -10.388 88 1HB PHE 15 1HB PHE 15 4.062 -10.229 -9.437 89 2HB PHE 15 2HB PHE 15 4.356 -10.624 -11.128 90 HD1 PHE 15 HD1 PHE 15 6.044 -9.500 -12.391 91 HD2 PHE 15 HD2 PHE 15 5.199 -8.338 -8.385 92 HE1 PHE 15 HE1 PHE 15 8.117 -8.175 -12.342 93 HE2 PHE 15 HE2 PHE 15 7.270 -7.010 -8.329 94 HZ PHE 15 HZ PHE 15 8.731 -6.927 -10.310 95 H ARG 16 H ARG 16 3.064 -10.849 -12.564 96 HA ARG 16 HA ARG 16 3.842 -9.510 -14.857 97 1HB ARG 16 1HB ARG 16 3.675 -12.011 -14.510 98 2HB ARG 16 2HB ARG 16 1.951 -11.862 -14.824 99 1HG ARG 16 1HG ARG 16 2.506 -10.883 -17.044 100 2HG ARG 16 2HG ARG 16 4.204 -11.239 -16.718 101 1HD ARG 16 1HD ARG 16 1.926 -13.184 -17.011 102 2HD ARG 16 2HD ARG 16 3.352 -13.025 -18.036 103 HE ARG 16 HE ARG 16 4.339 -13.602 -15.552 104 1HH1 ARG 16 1HH1 ARG 16 2.091 -15.114 -17.739 105 2HH1 ARG 16 2HH1 ARG 16 2.452 -16.722 -17.205 106 1HH2 ARG 16 1HH2 ARG 16 4.824 -15.714 -14.841 107 2HH2 ARG 16 2HH2 ARG 16 4.006 -17.062 -15.557 108 H GLN 17 H GLN 17 0.544 -10.207 -13.728 109 HA GLN 17 HA GLN 17 -0.911 -9.199 -15.835 110 1HB GLN 17 1HB GLN 17 -1.863 -10.344 -13.847 111 2HB GLN 17 2HB GLN 17 -1.593 -8.883 -12.907 112 1HG GLN 17 1HG GLN 17 -3.275 -8.888 -15.389 113 2HG GLN 17 2HG GLN 17 -3.935 -9.289 -13.804 114 1HE2 GLN 17 1HE2 GLN 17 -3.916 -6.924 -15.897 115 2HE2 GLN 17 2HE2 GLN 17 -3.870 -5.540 -14.864 116 H LYS 18 H LYS 18 0.331 -7.411 -13.025 117 HA LYS 18 HA LYS 18 -0.689 -4.901 -13.663 118 1HB LYS 18 1HB LYS 18 1.371 -5.975 -11.901 119 2HB LYS 18 2HB LYS 18 1.773 -4.371 -12.500 120 1HG LYS 18 1HG LYS 18 -0.433 -3.572 -11.709 121 2HG LYS 18 2HG LYS 18 -0.719 -5.168 -11.011 122 1HD LYS 18 1HD LYS 18 1.506 -4.803 -9.777 123 2HD LYS 18 2HD LYS 18 1.317 -3.106 -10.224 124 1HE LYS 18 1HE LYS 18 -0.655 -2.884 -8.971 125 2HE LYS 18 2HE LYS 18 -0.872 -4.629 -8.845 126 1HZ LYS 18 1HZ LYS 18 0.152 -3.135 -6.904 127 2HZ LYS 18 2HZ LYS 18 1.578 -3.567 -7.704 128 3HZ LYS 18 3HZ LYS 18 0.541 -4.768 -7.117 129 H LEU 19 H LEU 19 2.569 -6.170 -14.379 130 HA LEU 19 HA LEU 19 3.507 -4.029 -15.863 131 1HB LEU 19 1HB LEU 19 4.090 -6.966 -15.942 132 2HB LEU 19 2HB LEU 19 4.874 -5.860 -17.069 133 HG LEU 19 HG LEU 19 5.348 -4.659 -14.653 134 1HD1 LEU 19 1HD1 LEU 19 5.218 -7.628 -14.274 135 2HD1 LEU 19 2HD1 LEU 19 4.606 -6.344 -13.232 136 3HD1 LEU 19 3HD1 LEU 19 6.341 -6.637 -13.343 137 1HD2 LEU 19 1HD2 LEU 19 7.144 -4.721 -16.052 138 2HD2 LEU 19 2HD2 LEU 19 6.880 -6.406 -16.501 139 3HD2 LEU 19 3HD2 LEU 19 7.609 -6.012 -14.943 140 H VAL 20 H VAL 20 1.690 -6.870 -16.967 141 HA VAL 20 HA VAL 20 1.727 -6.490 -19.687 142 HB VAL 20 HB VAL 20 -0.429 -7.549 -17.882 143 1HG1 VAL 20 1HG1 VAL 20 -1.679 -6.655 -19.691 144 2HG1 VAL 20 2HG1 VAL 20 -0.518 -7.254 -20.877 145 3HG1 VAL 20 3HG1 VAL 20 -1.532 -8.388 -19.984 146 1HG2 VAL 20 1HG2 VAL 20 1.287 -9.096 -18.010 147 2HG2 VAL 20 2HG2 VAL 20 0.209 -9.633 -19.299 148 3HG2 VAL 20 3HG2 VAL 20 1.656 -8.703 -19.689 149 H SER 21 H SER 21 -0.725 -5.191 -17.444 150 HA SER 21 HA SER 21 -2.181 -3.710 -19.283 151 1HB SER 21 1HB SER 21 -1.735 -3.493 -16.332 152 2HB SER 21 2HB SER 21 -2.586 -2.190 -17.162 153 HG SER 21 HG SER 21 -3.802 -4.165 -18.089 154 H GLN 22 H GLN 22 0.604 -2.698 -17.323 155 HA GLN 22 HA GLN 22 0.738 -0.038 -18.065 156 1HB GLN 22 1HB GLN 22 3.027 -1.938 -17.527 157 2HB GLN 22 2HB GLN 22 3.158 -0.184 -17.557 158 1HG GLN 22 1HG GLN 22 1.811 -1.943 -15.556 159 2HG GLN 22 2HG GLN 22 3.005 -0.671 -15.303 160 1HE2 GLN 22 1HE2 GLN 22 2.280 1.549 -15.786 161 2HE2 GLN 22 2HE2 GLN 22 0.648 1.972 -15.411 162 H ILE 23 H ILE 23 2.370 -2.796 -19.623 163 HA ILE 23 HA ILE 23 3.581 -1.380 -21.696 164 HB ILE 23 HB ILE 23 2.581 -4.229 -21.670 165 1HG1 ILE 23 1HG1 ILE 23 5.447 -3.847 -21.638 166 2HG1 ILE 23 2HG1 ILE 23 4.694 -2.979 -20.304 167 1HG2 ILE 23 1HG2 ILE 23 2.810 -3.526 -23.957 168 2HG2 ILE 23 2HG2 ILE 23 4.393 -2.824 -23.626 169 3HG2 ILE 23 3HG2 ILE 23 4.170 -4.571 -23.546 170 1HD1 ILE 23 1HD1 ILE 23 4.800 -4.914 -19.218 171 2HD1 ILE 23 2HD1 ILE 23 3.441 -5.414 -20.226 172 3HD1 ILE 23 3HD1 ILE 23 5.089 -5.830 -20.696 173 H GLU 24 H GLU 24 0.324 -2.678 -21.408 174 HA GLU 24 HA GLU 24 -0.407 -2.220 -24.125 175 1HB GLU 24 1HB GLU 24 -1.514 -3.620 -22.065 176 2HB GLU 24 2HB GLU 24 -2.559 -2.207 -22.113 177 1HG GLU 24 1HG GLU 24 -2.059 -3.299 -24.752 178 2HG GLU 24 2HG GLU 24 -2.794 -4.472 -23.660 179 H ASP 25 H ASP 25 -0.650 -0.362 -21.148 180 HA ASP 25 HA ASP 25 -2.281 1.708 -22.228 181 1HB ASP 25 1HB ASP 25 -1.858 1.090 -19.747 182 2HB ASP 25 2HB ASP 25 -0.415 2.087 -19.902 183 H ALA 26 H ALA 26 1.208 1.397 -21.645 184 HA ALA 26 HA ALA 26 1.960 3.950 -22.509 185 1HB ALA 26 1HB ALA 26 4.199 3.035 -22.756 186 2HB ALA 26 2HB ALA 26 3.447 2.445 -21.273 187 3HB ALA 26 3HB ALA 26 3.553 1.395 -22.686 188 H MET 27 H MET 27 1.573 0.922 -24.306 189 HA MET 27 HA MET 27 2.542 1.854 -26.777 190 1HB MET 27 1HB MET 27 1.450 -0.538 -25.765 191 2HB MET 27 2HB MET 27 0.444 -0.086 -27.135 192 1HG MET 27 1HG MET 27 2.915 0.309 -28.164 193 2HG MET 27 2HG MET 27 3.219 -1.025 -27.053 194 1HE MET 27 1HE MET 27 1.316 -0.359 -30.765 195 2HE MET 27 2HE MET 27 -0.159 -1.020 -30.061 196 3HE MET 27 3HE MET 27 0.633 0.365 -29.309 197 H ARG 28 H ARG 28 -0.753 1.708 -25.459 198 HA ARG 28 HA ARG 28 -2.177 2.597 -27.650 199 1HB ARG 28 1HB ARG 28 -3.381 1.854 -25.742 200 2HB ARG 28 2HB ARG 28 -2.610 3.044 -24.702 201 1HG ARG 28 1HG ARG 28 -4.130 4.596 -25.179 202 2HG ARG 28 2HG ARG 28 -4.049 4.262 -26.910 203 1HD ARG 28 1HD ARG 28 -5.580 2.434 -26.694 204 2HD ARG 28 2HD ARG 28 -5.534 2.539 -24.935 205 HE ARG 28 HE ARG 28 -6.438 4.957 -26.175 206 1HH1 ARG 28 1HH1 ARG 28 -7.402 1.796 -25.081 207 2HH1 ARG 28 2HH1 ARG 28 -9.062 2.237 -24.855 208 1HH2 ARG 28 1HH2 ARG 28 -8.620 5.551 -25.881 209 2HH2 ARG 28 2HH2 ARG 28 -9.754 4.373 -25.312 210 H LYS 29 H LYS 29 -0.866 4.620 -25.020 211 HA LYS 29 HA LYS 29 -1.496 7.073 -26.300 212 1HB LYS 29 1HB LYS 29 -0.167 6.208 -23.849 213 2HB LYS 29 2HB LYS 29 0.573 7.641 -24.550 214 1HG LYS 29 1HG LYS 29 -2.303 7.856 -24.546 215 2HG LYS 29 2HG LYS 29 -1.678 7.536 -22.926 216 1HD LYS 29 1HD LYS 29 -1.465 9.797 -22.917 217 2HD LYS 29 2HD LYS 29 0.074 9.404 -23.687 218 1HE LYS 29 1HE LYS 29 -0.747 9.923 -25.829 219 2HE LYS 29 2HE LYS 29 -2.423 9.902 -25.281 220 1HZ LYS 29 1HZ LYS 29 -1.583 11.836 -23.768 221 2HZ LYS 29 2HZ LYS 29 -2.022 12.133 -25.374 222 3HZ LYS 29 3HZ LYS 29 -0.389 11.990 -24.957 223 H ALA 30 H ALA 30 1.310 4.976 -26.310 224 HA ALA 30 HA ALA 30 3.175 6.753 -27.429 225 1HB ALA 30 1HB ALA 30 3.851 4.653 -26.424 226 2HB ALA 30 2HB ALA 30 3.007 3.753 -27.685 227 3HB ALA 30 3HB ALA 30 4.413 4.737 -28.094 228 H GLY 31 H GLY 31 0.502 5.050 -28.817 229 1HA GLY 31 1HA GLY 31 -0.397 5.092 -30.929 230 2HA GLY 31 2HA GLY 31 0.613 6.497 -31.234 231 H VAL 32 H VAL 32 0.665 2.955 -31.131 232 HA VAL 32 HA VAL 32 2.298 2.919 -33.527 233 HB VAL 32 HB VAL 32 3.908 1.267 -32.471 234 1HG1 VAL 32 1HG1 VAL 32 4.074 4.062 -31.361 235 2HG1 VAL 32 2HG1 VAL 32 5.407 2.973 -31.751 236 3HG1 VAL 32 3HG1 VAL 32 4.417 3.655 -33.042 237 1HG2 VAL 32 1HG2 VAL 32 3.717 2.407 -29.833 238 2HG2 VAL 32 2HG2 VAL 32 2.215 1.593 -30.271 239 3HG2 VAL 32 3HG2 VAL 32 3.742 0.712 -30.322 240 H ALA 33 H ALA 33 2.883 0.422 -33.926 241 HA ALA 33 HA ALA 33 0.626 -1.273 -33.162 242 1HB ALA 33 1HB ALA 33 1.224 -0.322 -35.916 243 2HB ALA 33 2HB ALA 33 0.637 -1.972 -35.704 244 3HB ALA 33 3HB ALA 33 -0.329 -0.612 -35.131 245 H HIS 34 H HIS 34 2.455 -2.174 -31.913 246 HA HIS 34 HA HIS 34 4.700 -3.356 -33.116 247 1HB HIS 34 1HB HIS 34 3.701 -3.085 -30.519 248 2HB HIS 34 2HB HIS 34 3.792 -4.824 -30.785 249 HD1 HIS 34 HD1 HIS 34 5.921 -1.774 -30.448 250 HD2 HIS 34 HD2 HIS 34 6.384 -5.861 -31.030 251 HE1 HIS 34 HE1 HIS 34 8.366 -2.233 -30.079 252 H SER 35 H SER 35 4.796 -5.978 -32.336 253 HA SER 35 HA SER 35 3.115 -7.213 -34.361 254 1HB SER 35 1HB SER 35 5.472 -8.199 -32.751 255 2HB SER 35 2HB SER 35 4.542 -9.253 -33.817 256 HG SER 35 HG SER 35 6.520 -8.051 -34.642 257 H LYS 36 H LYS 36 1.428 -8.513 -33.976 258 HA LYS 36 HA LYS 36 -0.157 -9.728 -32.882 259 1HB LYS 36 1HB LYS 36 2.289 -10.319 -31.489 260 2HB LYS 36 2HB LYS 36 0.957 -10.257 -30.343 261 1HG LYS 36 1HG LYS 36 -0.067 -12.087 -31.216 262 2HG LYS 36 2HG LYS 36 0.537 -11.785 -32.847 263 1HD LYS 36 1HD LYS 36 2.633 -12.710 -32.365 264 2HD LYS 36 2HD LYS 36 2.381 -12.596 -30.622 265 1HE LYS 36 1HE LYS 36 2.155 -14.887 -31.215 266 2HE LYS 36 2HE LYS 36 0.537 -14.277 -30.876 267 1HZ LYS 36 1HZ LYS 36 0.769 -15.693 -32.917 268 2HZ LYS 36 2HZ LYS 36 1.650 -14.430 -33.618 269 3HZ LYS 36 3HZ LYS 36 0.039 -14.187 -33.164 270 H SER 37 H SER 37 1.335 -8.391 -29.967 271 HA SER 37 HA SER 37 -0.198 -6.108 -29.646 272 1HB SER 37 1HB SER 37 -2.227 -7.296 -29.594 273 2HB SER 37 2HB SER 37 -1.533 -8.618 -28.655 274 HG SER 37 HG SER 37 -1.859 -7.531 -26.869 275 H SER 38 H SER 38 -0.187 -5.288 -27.399 276 HA SER 38 HA SER 38 2.297 -5.499 -26.210 277 1HB SER 38 1HB SER 38 -0.363 -4.551 -25.176 278 2HB SER 38 2HB SER 38 1.059 -4.556 -24.134 279 HG SER 38 HG SER 38 1.176 -3.382 -26.688 280 H LYS 39 H LYS 39 -0.739 -7.012 -25.123 281 HA LYS 39 HA LYS 39 0.184 -8.377 -22.921 282 1HB LYS 39 1HB LYS 39 -1.893 -9.192 -24.955 283 2HB LYS 39 2HB LYS 39 -1.621 -10.065 -23.453 284 1HG LYS 39 1HG LYS 39 -2.655 -8.507 -22.203 285 2HG LYS 39 2HG LYS 39 -2.047 -7.166 -23.177 286 1HD LYS 39 1HD LYS 39 -3.678 -7.980 -24.977 287 2HD LYS 39 2HD LYS 39 -4.419 -8.937 -23.692 288 1HE LYS 39 1HE LYS 39 -3.995 -6.240 -22.801 289 2HE LYS 39 2HE LYS 39 -4.889 -6.241 -24.321 290 1HZ LYS 39 1HZ LYS 39 -5.651 -7.924 -22.004 291 2HZ LYS 39 2HZ LYS 39 -6.566 -7.589 -23.386 292 3HZ LYS 39 3HZ LYS 39 -6.269 -6.369 -22.253 293 H ASP 40 H ASP 40 0.064 -9.603 -26.265 294 HA ASP 40 HA ASP 40 1.265 -12.074 -25.781 295 1HB ASP 40 1HB ASP 40 0.674 -10.415 -28.120 296 2HB ASP 40 2HB ASP 40 2.098 -11.430 -28.329 297 H MET 41 H MET 41 2.687 -8.915 -26.415 298 HA MET 41 HA MET 41 5.345 -9.760 -26.780 299 1HB MET 41 1HB MET 41 3.933 -7.253 -26.441 300 2HB MET 41 2HB MET 41 5.469 -7.235 -25.585 301 1HG MET 41 1HG MET 41 6.407 -6.687 -27.514 302 2HG MET 41 2HG MET 41 6.098 -8.342 -28.033 303 1HE MET 41 1HE MET 41 4.482 -4.466 -28.602 304 2HE MET 41 2HE MET 41 2.881 -5.191 -28.457 305 3HE MET 41 3HE MET 41 4.053 -5.374 -27.152 306 H GLU 42 H GLU 42 3.575 -8.752 -23.877 307 HA GLU 42 HA GLU 42 5.687 -8.797 -22.063 308 1HB GLU 42 1HB GLU 42 3.118 -8.148 -21.836 309 2HB GLU 42 2HB GLU 42 3.015 -9.774 -21.177 310 1HG GLU 42 1HG GLU 42 5.217 -8.235 -20.064 311 2HG GLU 42 2HG GLU 42 3.640 -7.499 -19.780 312 H SER 43 H SER 43 3.388 -11.400 -22.855 313 HA SER 43 HA SER 43 4.382 -13.370 -21.191 314 1HB SER 43 1HB SER 43 2.353 -13.836 -22.310 315 2HB SER 43 2HB SER 43 3.058 -13.522 -23.896 316 HG SER 43 HG SER 43 2.824 -15.837 -22.724 317 H HIS 44 H HIS 44 5.383 -12.581 -24.505 318 HA HIS 44 HA HIS 44 7.280 -14.605 -24.829 319 1HB HIS 44 1HB HIS 44 6.463 -13.186 -26.673 320 2HB HIS 44 2HB HIS 44 7.325 -11.810 -25.990 321 HD1 HIS 44 HD1 HIS 44 8.936 -15.185 -26.109 322 HD2 HIS 44 HD2 HIS 44 9.014 -11.599 -28.205 323 HE1 HIS 44 HE1 HIS 44 10.925 -15.345 -27.640 324 H VAL 45 H VAL 45 7.553 -11.405 -23.371 325 HA VAL 45 HA VAL 45 10.347 -11.367 -23.051 326 HB VAL 45 HB VAL 45 8.316 -10.047 -21.248 327 1HG1 VAL 45 1HG1 VAL 45 10.002 -8.906 -20.309 328 2HG1 VAL 45 2HG1 VAL 45 11.020 -10.204 -20.936 329 3HG1 VAL 45 3HG1 VAL 45 10.847 -8.700 -21.843 330 1HG2 VAL 45 1HG2 VAL 45 9.391 -8.237 -23.141 331 2HG2 VAL 45 2HG2 VAL 45 8.803 -9.645 -24.025 332 3HG2 VAL 45 3HG2 VAL 45 7.717 -8.759 -22.955 333 H PHE 46 H PHE 46 7.754 -12.496 -20.915 334 HA PHE 46 HA PHE 46 9.301 -13.099 -18.675 335 1HB PHE 46 1HB PHE 46 6.722 -13.131 -19.000 336 2HB PHE 46 2HB PHE 46 6.965 -14.806 -19.486 337 HD1 PHE 46 HD1 PHE 46 6.663 -12.523 -16.745 338 HD2 PHE 46 HD2 PHE 46 8.077 -16.381 -17.858 339 HE1 PHE 46 HE1 PHE 46 6.665 -13.201 -14.380 340 HE2 PHE 46 HE2 PHE 46 8.079 -17.065 -15.494 341 HZ PHE 46 HZ PHE 46 7.372 -15.474 -13.752 342 H LEU 47 H LEU 47 8.324 -15.234 -21.353 343 HA LEU 47 HA LEU 47 9.844 -17.452 -20.429 344 1HB LEU 47 1HB LEU 47 8.411 -16.757 -22.950 345 2HB LEU 47 2HB LEU 47 9.520 -18.127 -22.944 346 HG LEU 47 HG LEU 47 7.379 -17.986 -20.870 347 1HD1 LEU 47 1HD1 LEU 47 5.776 -17.909 -22.413 348 2HD1 LEU 47 2HD1 LEU 47 6.299 -19.525 -22.888 349 3HD1 LEU 47 3HD1 LEU 47 6.925 -18.111 -23.736 350 1HD2 LEU 47 1HD2 LEU 47 7.532 -20.536 -21.678 351 2HD2 LEU 47 2HD2 LEU 47 8.581 -19.851 -20.436 352 3HD2 LEU 47 3HD2 LEU 47 9.159 -19.999 -22.097 353 H LYS 48 H LYS 48 10.652 -14.598 -22.117 354 HA LYS 48 HA LYS 48 13.069 -15.722 -23.290 355 1HB LYS 48 1HB LYS 48 11.782 -14.097 -24.596 356 2HB LYS 48 2HB LYS 48 11.980 -12.901 -23.322 357 1HG LYS 48 1HG LYS 48 14.180 -12.514 -23.834 358 2HG LYS 48 2HG LYS 48 14.407 -14.112 -24.550 359 1HD LYS 48 1HD LYS 48 13.319 -13.493 -26.539 360 2HD LYS 48 2HD LYS 48 12.611 -12.054 -25.803 361 1HE LYS 48 1HE LYS 48 15.574 -12.439 -26.175 362 2HE LYS 48 2HE LYS 48 14.545 -11.646 -27.367 363 1HZ LYS 48 1HZ LYS 48 14.193 -10.606 -24.719 364 2HZ LYS 48 2HZ LYS 48 14.493 -9.787 -26.168 365 3HZ LYS 48 3HZ LYS 48 15.781 -10.429 -25.278 366 H ALA 49 H ALA 49 12.095 -14.345 -20.375 367 HA ALA 49 HA ALA 49 14.740 -13.264 -19.752 368 1HB ALA 49 1HB ALA 49 13.765 -12.008 -18.140 369 2HB ALA 49 2HB ALA 49 12.335 -12.274 -19.139 370 3HB ALA 49 3HB ALA 49 12.606 -13.264 -17.705 371 H LYS 50 H LYS 50 16.054 -14.068 -18.140 372 HA LYS 50 HA LYS 50 15.544 -16.847 -17.402 373 1HB LYS 50 1HB LYS 50 17.926 -15.174 -17.801 374 2HB LYS 50 2HB LYS 50 18.031 -16.253 -16.415 375 1HG LYS 50 1HG LYS 50 17.408 -18.135 -17.936 376 2HG LYS 50 2HG LYS 50 17.551 -17.008 -19.287 377 1HD LYS 50 1HD LYS 50 19.909 -16.547 -18.157 378 2HD LYS 50 2HD LYS 50 19.660 -18.189 -17.558 379 1HE LYS 50 1HE LYS 50 19.527 -19.069 -19.745 380 2HE LYS 50 2HE LYS 50 19.353 -17.468 -20.461 381 1HZ LYS 50 1HZ LYS 50 21.750 -17.536 -19.016 382 2HZ LYS 50 2HZ LYS 50 21.538 -17.368 -20.685 383 3HZ LYS 50 3HZ LYS 50 21.704 -18.908 -20.005 384 H THR 51 H THR 51 15.643 -13.684 -16.026 385 HA THR 51 HA THR 51 14.807 -14.768 -13.460 386 HB THR 51 HB THR 51 16.400 -13.462 -12.157 387 HG1 THR 51 HG1 THR 51 18.111 -12.386 -13.231 388 1HG2 THR 51 1HG2 THR 51 17.857 -15.137 -14.204 389 2HG2 THR 51 2HG2 THR 51 16.977 -15.784 -12.820 390 3HG2 THR 51 3HG2 THR 51 18.394 -14.765 -12.567 391 H ARG 52 H ARG 52 14.260 -12.890 -11.923 392 HA ARG 52 HA ARG 52 12.268 -11.325 -13.062 393 1HB ARG 52 1HB ARG 52 12.309 -10.048 -10.926 394 2HB ARG 52 2HB ARG 52 12.267 -11.791 -10.698 395 1HG ARG 52 1HG ARG 52 14.946 -11.295 -10.690 396 2HG ARG 52 2HG ARG 52 14.300 -9.840 -9.929 397 1HD ARG 52 1HD ARG 52 13.264 -11.074 -8.211 398 2HD ARG 52 2HD ARG 52 13.457 -12.596 -9.081 399 HE ARG 52 HE ARG 52 15.413 -11.276 -7.431 400 1HH1 ARG 52 1HH1 ARG 52 14.886 -13.568 -9.998 401 2HH1 ARG 52 2HH1 ARG 52 16.377 -14.408 -9.729 402 1HH2 ARG 52 1HH2 ARG 52 17.379 -12.375 -7.067 403 2HH2 ARG 52 2HH2 ARG 52 17.794 -13.729 -8.062 404 H ASP 53 H ASP 53 15.671 -10.770 -12.835 405 HA ASP 53 HA ASP 53 15.574 -7.937 -13.233 406 1HB ASP 53 1HB ASP 53 17.585 -9.919 -12.727 407 2HB ASP 53 2HB ASP 53 18.071 -8.944 -14.111 408 H GLU 54 H GLU 54 16.521 -10.652 -15.345 409 HA GLU 54 HA GLU 54 16.945 -9.255 -17.680 410 1HB GLU 54 1HB GLU 54 17.384 -11.681 -17.348 411 2HB GLU 54 2HB GLU 54 15.656 -11.980 -17.466 412 1HG GLU 54 1HG GLU 54 15.589 -11.456 -19.728 413 2HG GLU 54 2HG GLU 54 17.123 -10.589 -19.669 414 H TYR 55 H TYR 55 13.899 -10.330 -16.282 415 HA TYR 55 HA TYR 55 12.316 -9.572 -18.545 416 1HB TYR 55 1HB TYR 55 11.441 -11.293 -17.143 417 2HB TYR 55 2HB TYR 55 11.619 -10.301 -15.700 418 HD1 TYR 55 HD1 TYR 55 9.744 -10.555 -18.899 419 HD2 TYR 55 HD2 TYR 55 9.855 -8.943 -14.963 420 HE1 TYR 55 HE1 TYR 55 7.427 -9.772 -19.161 421 HE2 TYR 55 HE2 TYR 55 7.539 -8.156 -15.214 422 HH TYR 55 HH TYR 55 5.549 -8.685 -16.552 423 H LEU 56 H LEU 56 12.488 -8.262 -15.228 424 HA LEU 56 HA LEU 56 10.986 -5.988 -15.595 425 1HB LEU 56 1HB LEU 56 13.259 -6.678 -13.798 426 2HB LEU 56 2HB LEU 56 12.682 -5.013 -13.837 427 HG LEU 56 HG LEU 56 10.699 -7.191 -13.394 428 1HD1 LEU 56 1HD1 LEU 56 11.967 -7.989 -11.709 429 2HD1 LEU 56 2HD1 LEU 56 11.331 -6.584 -10.855 430 3HD1 LEU 56 3HD1 LEU 56 12.932 -6.517 -11.590 431 1HD2 LEU 56 1HD2 LEU 56 10.869 -4.316 -13.155 432 2HD2 LEU 56 2HD2 LEU 56 10.321 -5.057 -11.651 433 3HD2 LEU 56 3HD2 LEU 56 9.452 -5.365 -13.155 434 H SER 57 H SER 57 14.280 -6.607 -16.574 435 HA SER 57 HA SER 57 14.942 -3.889 -17.150 436 1HB SER 57 1HB SER 57 16.512 -5.943 -16.751 437 2HB SER 57 2HB SER 57 16.295 -6.216 -18.479 438 HG SER 57 HG SER 57 16.993 -3.994 -18.755 439 H LEU 58 H LEU 58 14.179 -6.682 -19.231 440 HA LEU 58 HA LEU 58 14.163 -5.298 -21.659 441 1HB LEU 58 1HB LEU 58 12.914 -7.833 -20.696 442 2HB LEU 58 2HB LEU 58 12.493 -7.207 -22.289 443 HG LEU 58 HG LEU 58 15.380 -7.461 -21.700 444 1HD1 LEU 58 1HD1 LEU 58 14.078 -9.963 -22.570 445 2HD1 LEU 58 2HD1 LEU 58 13.932 -9.552 -20.861 446 3HD1 LEU 58 3HD1 LEU 58 15.527 -9.711 -21.596 447 1HD2 LEU 58 1HD2 LEU 58 14.416 -6.679 -23.863 448 2HD2 LEU 58 2HD2 LEU 58 13.725 -8.288 -24.080 449 3HD2 LEU 58 3HD2 LEU 58 15.476 -8.081 -24.009 450 H VAL 59 H VAL 59 11.529 -5.974 -19.383 451 HA VAL 59 HA VAL 59 9.424 -4.905 -20.877 452 HB VAL 59 HB VAL 59 9.683 -4.838 -17.869 453 1HG1 VAL 59 1HG1 VAL 59 7.800 -3.597 -18.287 454 2HG1 VAL 59 2HG1 VAL 59 7.434 -4.455 -19.785 455 3HG1 VAL 59 3HG1 VAL 59 7.108 -5.218 -18.228 456 1HG2 VAL 59 1HG2 VAL 59 8.085 -7.001 -18.787 457 2HG2 VAL 59 2HG2 VAL 59 9.638 -7.070 -19.619 458 3HG2 VAL 59 3HG2 VAL 59 9.582 -7.056 -17.857 459 H ALA 60 H ALA 60 11.228 -3.333 -18.227 460 HA ALA 60 HA ALA 60 10.123 -0.817 -18.390 461 1HB ALA 60 1HB ALA 60 11.494 -0.866 -16.605 462 2HB ALA 60 2HB ALA 60 12.666 -1.918 -17.398 463 3HB ALA 60 3HB ALA 60 12.664 -0.187 -17.736 464 H ARG 61 H ARG 61 13.069 -1.938 -20.063 465 HA ARG 61 HA ARG 61 13.687 0.343 -21.468 466 1HB ARG 61 1HB ARG 61 15.166 -1.551 -21.507 467 2HB ARG 61 2HB ARG 61 13.952 -2.547 -22.299 468 1HG ARG 61 1HG ARG 61 14.763 -0.084 -23.712 469 2HG ARG 61 2HG ARG 61 15.963 -1.373 -23.602 470 1HD ARG 61 1HD ARG 61 13.912 -2.862 -24.346 471 2HD ARG 61 2HD ARG 61 13.337 -1.328 -24.998 472 HE ARG 61 HE ARG 61 14.910 -1.489 -26.646 473 1HH1 ARG 61 1HH1 ARG 61 15.771 -3.644 -24.050 474 2HH1 ARG 61 2HH1 ARG 61 17.084 -4.372 -24.916 475 1HH2 ARG 61 1HH2 ARG 61 16.636 -2.439 -27.795 476 2HH2 ARG 61 2HH2 ARG 61 17.576 -3.685 -27.045 477 H LEU 62 H LEU 62 11.353 -2.176 -22.320 478 HA LEU 62 HA LEU 62 10.690 -1.202 -24.873 479 1HB LEU 62 1HB LEU 62 10.108 -3.441 -24.140 480 2HB LEU 62 2HB LEU 62 9.035 -2.780 -22.909 481 HG LEU 62 HG LEU 62 8.347 -1.892 -25.596 482 1HD1 LEU 62 1HD1 LEU 62 7.340 -4.174 -26.140 483 2HD1 LEU 62 2HD1 LEU 62 8.510 -4.827 -24.994 484 3HD1 LEU 62 3HD1 LEU 62 9.067 -3.958 -26.424 485 1HD2 LEU 62 1HD2 LEU 62 7.022 -2.987 -23.168 486 2HD2 LEU 62 2HD2 LEU 62 6.161 -3.067 -24.705 487 3HD2 LEU 62 3HD2 LEU 62 6.688 -1.508 -24.070 488 H ILE 63 H ILE 63 8.953 -0.812 -21.781 489 HA ILE 63 HA ILE 63 6.982 0.928 -22.688 490 HB ILE 63 HB ILE 63 8.234 0.582 -19.976 491 1HG1 ILE 63 1HG1 ILE 63 5.456 -0.035 -21.003 492 2HG1 ILE 63 2HG1 ILE 63 6.768 -1.207 -20.922 493 1HG2 ILE 63 1HG2 ILE 63 5.962 1.913 -19.411 494 2HG2 ILE 63 2HG2 ILE 63 7.540 2.685 -19.554 495 3HG2 ILE 63 3HG2 ILE 63 6.423 2.706 -20.918 496 1HD1 ILE 63 1HD1 ILE 63 5.269 0.094 -18.685 497 2HD1 ILE 63 2HD1 ILE 63 5.514 -1.622 -19.015 498 3HD1 ILE 63 3HD1 ILE 63 6.853 -0.636 -18.427 499 H ILE 64 H ILE 64 10.071 1.738 -21.104 500 HA ILE 64 HA ILE 64 9.887 4.487 -21.146 501 HB ILE 64 HB ILE 64 12.325 2.750 -21.513 502 1HG1 ILE 64 1HG1 ILE 64 11.960 4.306 -19.049 503 2HG1 ILE 64 2HG1 ILE 64 10.710 3.096 -19.319 504 1HG2 ILE 64 1HG2 ILE 64 12.057 5.721 -21.272 505 2HG2 ILE 64 2HG2 ILE 64 13.495 4.894 -20.673 506 3HG2 ILE 64 3HG2 ILE 64 13.055 4.777 -22.377 507 1HD1 ILE 64 1HD1 ILE 64 13.223 1.898 -19.848 508 2HD1 ILE 64 2HD1 ILE 64 13.320 2.740 -18.301 509 3HD1 ILE 64 3HD1 ILE 64 12.067 1.528 -18.569 510 H HIS 65 H HIS 65 10.961 2.319 -23.728 511 HA HIS 65 HA HIS 65 11.793 4.301 -25.542 512 1HB HIS 65 1HB HIS 65 11.866 1.582 -25.520 513 2HB HIS 65 2HB HIS 65 10.593 1.867 -26.703 514 HD1 HIS 65 HD1 HIS 65 13.533 0.735 -27.271 515 HD2 HIS 65 HD2 HIS 65 12.169 4.593 -27.990 516 HE1 HIS 65 HE1 HIS 65 15.038 1.657 -29.062 517 H PHE 66 H PHE 66 8.649 2.852 -24.909 518 HA PHE 66 HA PHE 66 7.314 3.958 -27.147 519 1HB PHE 66 1HB PHE 66 6.457 2.728 -24.560 520 2HB PHE 66 2HB PHE 66 5.265 3.597 -25.520 521 HD1 PHE 66 HD1 PHE 66 5.934 2.934 -28.242 522 HD2 PHE 66 HD2 PHE 66 6.029 0.479 -24.766 523 HE1 PHE 66 HE1 PHE 66 5.610 0.939 -29.646 524 HE2 PHE 66 HE2 PHE 66 5.706 -1.520 -26.165 525 HZ PHE 66 HZ PHE 66 5.497 -1.291 -28.608 526 H ARG 67 H ARG 67 7.564 5.001 -23.759 527 HA ARG 67 HA ARG 67 5.943 7.268 -23.943 528 1HB ARG 67 1HB ARG 67 8.319 6.700 -22.164 529 2HB ARG 67 2HB ARG 67 7.252 8.083 -21.960 530 1HG ARG 67 1HG ARG 67 5.660 6.861 -20.979 531 2HG ARG 67 2HG ARG 67 5.852 5.524 -22.114 532 1HD ARG 67 1HD ARG 67 7.484 4.507 -20.850 533 2HD ARG 67 2HD ARG 67 7.975 6.016 -20.080 534 HE ARG 67 HE ARG 67 5.321 5.149 -19.380 535 1HH1 ARG 67 1HH1 ARG 67 8.712 4.930 -18.622 536 2HH1 ARG 67 2HH1 ARG 67 8.447 4.475 -16.971 537 1HH2 ARG 67 1HH2 ARG 67 4.959 4.550 -17.209 538 2HH2 ARG 67 2HH2 ARG 67 6.312 4.258 -16.169 539 H ASP 68 H ASP 68 9.398 6.851 -24.563 540 HA ASP 68 HA ASP 68 10.051 9.554 -24.938 541 1HB ASP 68 1HB ASP 68 11.355 7.039 -25.202 542 2HB ASP 68 2HB ASP 68 11.625 7.939 -26.692 543 H ILE 69 H ILE 69 9.114 7.064 -27.299 544 HA ILE 69 HA ILE 69 9.303 8.554 -29.619 545 HB ILE 69 HB ILE 69 7.235 6.453 -28.961 546 1HG1 ILE 69 1HG1 ILE 69 9.625 5.926 -30.659 547 2HG1 ILE 69 2HG1 ILE 69 9.874 6.055 -28.921 548 1HG2 ILE 69 1HG2 ILE 69 7.304 6.155 -31.501 549 2HG2 ILE 69 2HG2 ILE 69 6.422 7.542 -30.864 550 3HG2 ILE 69 3HG2 ILE 69 8.036 7.758 -31.540 551 1HD1 ILE 69 1HD1 ILE 69 7.724 4.382 -29.072 552 2HD1 ILE 69 2HD1 ILE 69 8.667 3.921 -30.490 553 3HD1 ILE 69 3HD1 ILE 69 9.405 3.881 -28.889 554 H HIS 70 H HIS 70 6.510 8.243 -27.441 555 HA HIS 70 HA HIS 70 4.705 9.814 -28.852 556 1HB HIS 70 1HB HIS 70 3.936 8.533 -26.981 557 2HB HIS 70 2HB HIS 70 5.024 9.375 -25.881 558 HD1 HIS 70 HD1 HIS 70 3.909 11.103 -24.524 559 HD2 HIS 70 HD2 HIS 70 1.976 10.517 -28.155 560 HE1 HIS 70 HE1 HIS 70 1.909 12.627 -24.475 561 H ASN 71 H ASN 71 6.868 10.832 -26.205 562 HA ASN 71 HA ASN 71 6.244 13.570 -26.363 563 1HB ASN 71 1HB ASN 71 7.654 12.075 -24.618 564 2HB ASN 71 2HB ASN 71 8.981 12.821 -25.503 565 1HD2 ASN 71 1HD2 ASN 71 7.069 13.134 -22.884 566 2HD2 ASN 71 2HD2 ASN 71 7.160 14.843 -22.647 567 H LYS 72 H LYS 72 8.383 11.559 -28.209 568 HA LYS 72 HA LYS 72 9.974 12.032 -29.803 569 1HB LYS 72 1HB LYS 72 9.058 13.305 -31.666 570 2HB LYS 72 2HB LYS 72 7.830 12.240 -30.994 571 1HG LYS 72 1HG LYS 72 6.653 14.005 -30.030 572 2HG LYS 72 2HG LYS 72 8.027 15.107 -30.149 573 1HD LYS 72 1HD LYS 72 6.571 15.796 -31.851 574 2HD LYS 72 2HD LYS 72 7.795 14.833 -32.682 575 1HE LYS 72 1HE LYS 72 6.330 12.955 -32.817 576 2HE LYS 72 2HE LYS 72 5.154 13.723 -31.751 577 1HZ LYS 72 1HZ LYS 72 5.910 14.923 -34.345 578 2HZ LYS 72 2HZ LYS 72 4.540 15.232 -33.402 579 3HZ LYS 72 3HZ LYS 72 4.683 13.763 -34.230 580 H LYS 73 H LYS 73 10.579 13.414 -27.463 581 HA LYS 73 HA LYS 73 11.204 16.155 -28.196 582 1HB LYS 73 1HB LYS 73 10.495 15.160 -25.841 583 2HB LYS 73 2HB LYS 73 12.227 14.898 -25.690 584 1HG LYS 73 1HG LYS 73 12.437 17.379 -26.351 585 2HG LYS 73 2HG LYS 73 10.725 17.473 -25.931 586 1HD LYS 73 1HD LYS 73 11.723 18.025 -23.926 587 2HD LYS 73 2HD LYS 73 11.494 16.285 -23.735 588 1HE LYS 73 1HE LYS 73 13.677 16.034 -23.426 589 2HE LYS 73 2HE LYS 73 13.982 16.697 -25.031 590 1HZ LYS 73 1HZ LYS 73 14.431 18.753 -24.200 591 2HZ LYS 73 2HZ LYS 73 14.957 17.819 -22.891 592 3HZ LYS 73 3HZ LYS 73 13.439 18.565 -22.842 593 H SER 74 H SER 74 13.102 13.406 -26.935 594 HA SER 74 HA SER 74 15.471 14.524 -28.258 595 1HB SER 74 1HB SER 74 15.256 12.375 -26.135 596 2HB SER 74 2HB SER 74 16.762 13.006 -26.801 597 HG SER 74 HG SER 74 16.264 14.056 -24.862 598 H GLN 75 H GLN 75 13.507 11.608 -28.033 599 HA GLN 75 HA GLN 75 14.697 10.688 -30.549 600 1HB GLN 75 1HB GLN 75 15.837 9.427 -28.818 601 2HB GLN 75 2HB GLN 75 14.302 8.986 -28.083 602 1HG GLN 75 1HG GLN 75 14.589 8.241 -30.907 603 2HG GLN 75 2HG GLN 75 15.689 7.426 -29.796 604 1HE2 GLN 75 1HE2 GLN 75 13.326 6.503 -31.371 605 2HE2 GLN 75 2HE2 GLN 75 12.302 5.729 -30.215 606 H ALA 76 H ALA 76 13.115 10.506 -31.977 607 HA ALA 76 HA ALA 76 10.476 9.576 -31.046 608 1HB ALA 76 1HB ALA 76 10.854 12.043 -31.929 609 2HB ALA 76 2HB ALA 76 10.665 11.248 -33.492 610 3HB ALA 76 3HB ALA 76 9.381 11.141 -32.288 611 H SER 77 H SER 77 9.136 8.738 -32.979 612 HA SER 77 HA SER 77 10.739 7.395 -35.004 613 1HB SER 77 1HB SER 77 10.827 5.744 -33.269 614 2HB SER 77 2HB SER 77 9.106 5.922 -32.928 615 HG SER 77 HG SER 77 10.174 4.987 -35.386 616 H VAL 78 H VAL 78 7.533 7.911 -33.595 617 HA VAL 78 HA VAL 78 6.421 7.895 -36.326 618 HB VAL 78 HB VAL 78 4.234 7.252 -35.239 619 1HG1 VAL 78 1HG1 VAL 78 6.619 5.493 -35.481 620 2HG1 VAL 78 2HG1 VAL 78 5.147 4.817 -34.779 621 3HG1 VAL 78 3HG1 VAL 78 5.118 5.497 -36.407 622 1HG2 VAL 78 1HG2 VAL 78 5.450 5.935 -32.982 623 2HG2 VAL 78 2HG2 VAL 78 5.681 7.682 -32.891 624 3HG2 VAL 78 3HG2 VAL 78 4.055 7.013 -33.034 Start of MODEL 15 1 1H GLY 2 HT1 GLY 2 -0.937 -0.557 -2.384 2 1HA GLY 2 1HA GLY 2 -0.124 -3.386 -2.440 3 2HA GLY 2 2HA GLY 2 0.489 -2.130 -3.505 4 H ALA 3 H ALA 3 1.956 -4.030 -1.832 5 HA ALA 3 HA ALA 3 3.180 -2.287 0.177 6 1HB ALA 3 1HB ALA 3 2.638 -5.047 0.081 7 2HB ALA 3 2HB ALA 3 4.394 -4.874 0.060 8 3HB ALA 3 3HB ALA 3 3.452 -4.144 1.359 9 H MET 4 H MET 4 5.562 -2.259 0.328 10 HA MET 4 HA MET 4 6.934 -2.669 -2.227 11 1HB MET 4 1HB MET 4 6.818 -0.080 -0.683 12 2HB MET 4 2HB MET 4 8.065 -0.420 -1.875 13 1HG MET 4 1HG MET 4 6.570 -0.382 -3.643 14 2HG MET 4 2HG MET 4 5.177 -0.654 -2.599 15 1HE MET 4 1HE MET 4 4.083 2.464 -1.234 16 2HE MET 4 2HE MET 4 3.470 1.867 -2.776 17 3HE MET 4 3HE MET 4 3.931 0.728 -1.510 18 H GLY 5 H GLY 5 7.414 -4.479 -0.480 19 1HA GLY 5 1HA GLY 5 10.059 -3.806 0.582 20 2HA GLY 5 2HA GLY 5 8.871 -4.453 1.705 21 H GLN 6 H GLN 6 8.813 -5.555 -1.568 22 HA GLN 6 HA GLN 6 10.614 -7.720 -1.325 23 1HB GLN 6 1HB GLN 6 8.092 -8.096 -0.054 24 2HB GLN 6 2HB GLN 6 8.141 -9.128 -1.478 25 1HG GLN 6 1HG GLN 6 9.732 -10.471 -0.621 26 2HG GLN 6 2HG GLN 6 10.550 -9.153 0.215 27 1HE2 GLN 6 1HE2 GLN 6 10.743 -10.403 2.085 28 2HE2 GLN 6 2HE2 GLN 6 9.395 -10.705 3.122 29 H GLU 7 H GLU 7 11.128 -8.335 -3.324 30 HA GLU 7 HA GLU 7 9.129 -7.963 -5.456 31 1HB GLU 7 1HB GLU 7 11.471 -6.516 -5.176 32 2HB GLU 7 2HB GLU 7 11.906 -7.763 -6.336 33 1HG GLU 7 1HG GLU 7 10.410 -7.014 -7.914 34 2HG GLU 7 2HG GLU 7 9.386 -6.220 -6.719 35 H THR 8 H THR 8 9.943 -10.335 -3.855 36 HA THR 8 HA THR 8 11.391 -12.028 -5.695 37 HB THR 8 HB THR 8 11.124 -13.786 -4.063 38 HG1 THR 8 HG1 THR 8 9.378 -11.994 -2.691 39 1HG2 THR 8 1HG2 THR 8 12.697 -11.771 -3.657 40 2HG2 THR 8 2HG2 THR 8 12.386 -12.882 -2.324 41 3HG2 THR 8 3HG2 THR 8 11.550 -11.332 -2.393 42 H ASP 9 H ASP 9 10.437 -14.216 -6.240 43 HA ASP 9 HA ASP 9 8.938 -15.402 -7.476 44 1HB ASP 9 1HB ASP 9 6.756 -14.080 -5.877 45 2HB ASP 9 2HB ASP 9 6.798 -15.713 -6.536 46 H TRP 10 H TRP 10 9.746 -13.408 -8.947 47 HA TRP 10 HA TRP 10 7.857 -11.489 -9.754 48 1HB TRP 10 1HB TRP 10 9.279 -11.107 -11.658 49 2HB TRP 10 2HB TRP 10 10.307 -11.428 -10.264 50 HD1 TRP 10 HD1 TRP 10 11.063 -14.208 -10.128 51 HE1 TRP 10 HE1 TRP 10 11.966 -15.631 -12.073 52 HE3 TRP 10 HE3 TRP 10 9.332 -11.417 -14.046 53 HZ2 TRP 10 HZ2 TRP 10 11.948 -15.577 -14.895 54 HZ3 TRP 10 HZ3 TRP 10 9.819 -12.172 -16.337 55 HH2 TRP 10 HH2 TRP 10 11.100 -14.209 -16.751 56 H ARG 11 H ARG 11 8.000 -14.847 -10.294 57 HA ARG 11 HA ARG 11 6.648 -14.935 -12.804 58 1HB ARG 11 1HB ARG 11 6.841 -17.070 -10.671 59 2HB ARG 11 2HB ARG 11 6.371 -17.317 -12.348 60 1HG ARG 11 1HG ARG 11 8.627 -16.522 -13.031 61 2HG ARG 11 2HG ARG 11 9.072 -16.478 -11.323 62 1HD ARG 11 1HD ARG 11 7.992 -18.954 -12.641 63 2HD ARG 11 2HD ARG 11 9.711 -18.563 -12.640 64 HE ARG 11 HE ARG 11 8.496 -18.534 -10.030 65 1HH1 ARG 11 1HH1 ARG 11 10.065 -20.481 -12.453 66 2HH1 ARG 11 2HH1 ARG 11 10.603 -21.682 -11.326 67 1HH2 ARG 11 1HH2 ARG 11 9.199 -20.109 -8.537 68 2HH2 ARG 11 2HH2 ARG 11 10.110 -21.470 -9.099 69 H SER 12 H SER 12 5.638 -14.148 -9.698 70 HA SER 12 HA SER 12 3.108 -15.273 -9.476 71 1HB SER 12 1HB SER 12 3.715 -14.154 -7.555 72 2HB SER 12 2HB SER 12 4.387 -12.783 -8.437 73 HG SER 12 HG SER 12 2.183 -12.691 -7.257 74 H THR 13 H THR 13 1.132 -14.840 -10.305 75 HA THR 13 HA THR 13 0.830 -13.695 -12.796 76 HB THR 13 HB THR 13 -1.438 -13.658 -10.826 77 HG1 THR 13 HG1 THR 13 -1.572 -15.830 -10.897 78 1HG2 THR 13 1HG2 THR 13 -1.186 -14.220 -13.779 79 2HG2 THR 13 2HG2 THR 13 -1.997 -12.857 -13.008 80 3HG2 THR 13 3HG2 THR 13 -2.665 -14.482 -12.856 81 H ALA 14 H ALA 14 0.127 -12.224 -9.634 82 HA ALA 14 HA ALA 14 -0.857 -9.782 -10.490 83 1HB ALA 14 1HB ALA 14 -1.091 -9.929 -8.248 84 2HB ALA 14 2HB ALA 14 0.444 -10.770 -8.030 85 3HB ALA 14 3HB ALA 14 0.421 -9.021 -8.260 86 H PHE 15 H PHE 15 2.499 -10.813 -10.069 87 HA PHE 15 HA PHE 15 3.719 -8.322 -10.490 88 1HB PHE 15 1HB PHE 15 4.709 -10.620 -9.703 89 2HB PHE 15 2HB PHE 15 5.011 -10.860 -11.421 90 HD1 PHE 15 HD1 PHE 15 6.354 -9.648 -8.438 91 HD2 PHE 15 HD2 PHE 15 6.188 -8.806 -12.607 92 HE1 PHE 15 HE1 PHE 15 8.423 -8.330 -8.251 93 HE2 PHE 15 HE2 PHE 15 8.257 -7.487 -12.427 94 HZ PHE 15 HZ PHE 15 9.378 -7.249 -10.247 95 H ARG 16 H ARG 16 3.665 -11.020 -12.821 96 HA ARG 16 HA ARG 16 4.409 -9.547 -15.048 97 1HB ARG 16 1HB ARG 16 4.269 -12.061 -14.848 98 2HB ARG 16 2HB ARG 16 2.536 -11.913 -15.107 99 1HG ARG 16 1HG ARG 16 3.184 -10.657 -17.258 100 2HG ARG 16 2HG ARG 16 4.776 -11.376 -17.013 101 1HD ARG 16 1HD ARG 16 3.938 -13.096 -18.185 102 2HD ARG 16 2HD ARG 16 3.160 -13.530 -16.663 103 HE ARG 16 HE ARG 16 1.583 -11.712 -18.194 104 1HH1 ARG 16 1HH1 ARG 16 2.481 -15.060 -17.868 105 2HH1 ARG 16 2HH1 ARG 16 1.023 -15.656 -18.589 106 1HH2 ARG 16 1HH2 ARG 16 -0.341 -12.485 -19.145 107 2HH2 ARG 16 2HH2 ARG 16 -0.581 -14.191 -19.316 108 H GLN 17 H GLN 17 1.189 -10.145 -13.726 109 HA GLN 17 HA GLN 17 -0.357 -9.113 -15.791 110 1HB GLN 17 1HB GLN 17 -1.281 -10.302 -13.844 111 2HB GLN 17 2HB GLN 17 -0.884 -8.928 -12.820 112 1HG GLN 17 1HG GLN 17 -2.671 -8.613 -15.198 113 2HG GLN 17 2HG GLN 17 -3.295 -9.194 -13.656 114 1HE2 GLN 17 1HE2 GLN 17 -2.933 -6.533 -15.494 115 2HE2 GLN 17 2HE2 GLN 17 -2.932 -5.315 -14.269 116 H LYS 18 H LYS 18 0.602 -7.375 -12.824 117 HA LYS 18 HA LYS 18 -0.268 -4.858 -13.534 118 1HB LYS 18 1HB LYS 18 1.778 -5.926 -11.684 119 2HB LYS 18 2HB LYS 18 1.951 -4.230 -12.117 120 1HG LYS 18 1HG LYS 18 -0.090 -3.649 -11.163 121 2HG LYS 18 2HG LYS 18 -0.671 -5.316 -11.164 122 1HD LYS 18 1HD LYS 18 1.399 -5.681 -9.574 123 2HD LYS 18 2HD LYS 18 1.199 -3.951 -9.288 124 1HE LYS 18 1HE LYS 18 -1.175 -5.755 -9.137 125 2HE LYS 18 2HE LYS 18 -0.043 -5.699 -7.788 126 1HZ LYS 18 1HZ LYS 18 -2.098 -3.912 -8.373 127 2HZ LYS 18 2HZ LYS 18 -0.645 -3.074 -8.587 128 3HZ LYS 18 3HZ LYS 18 -0.976 -3.827 -7.109 129 H LEU 19 H LEU 19 2.930 -6.291 -14.141 130 HA LEU 19 HA LEU 19 4.081 -4.093 -15.425 131 1HB LEU 19 1HB LEU 19 4.572 -7.036 -15.480 132 2HB LEU 19 2HB LEU 19 5.418 -5.997 -16.625 133 HG LEU 19 HG LEU 19 6.417 -6.682 -14.237 134 1HD1 LEU 19 1HD1 LEU 19 7.761 -4.532 -14.411 135 2HD1 LEU 19 2HD1 LEU 19 6.751 -4.140 -15.802 136 3HD1 LEU 19 3HD1 LEU 19 7.758 -5.588 -15.823 137 1HD2 LEU 19 1HD2 LEU 19 6.140 -4.918 -12.631 138 2HD2 LEU 19 2HD2 LEU 19 4.549 -5.557 -13.048 139 3HD2 LEU 19 3HD2 LEU 19 5.090 -4.022 -13.729 140 H VAL 20 H VAL 20 2.162 -6.770 -16.717 141 HA VAL 20 HA VAL 20 2.443 -6.221 -19.439 142 HB VAL 20 HB VAL 20 0.267 -7.540 -17.848 143 1HG1 VAL 20 1HG1 VAL 20 -0.460 -8.223 -20.319 144 2HG1 VAL 20 2HG1 VAL 20 -1.146 -6.831 -19.479 145 3HG1 VAL 20 3HG1 VAL 20 0.148 -6.602 -20.655 146 1HG2 VAL 20 1HG2 VAL 20 1.251 -9.210 -19.852 147 2HG2 VAL 20 2HG2 VAL 20 2.662 -8.348 -19.239 148 3HG2 VAL 20 3HG2 VAL 20 1.642 -9.267 -18.133 149 H SER 21 H SER 21 0.037 -5.029 -17.115 150 HA SER 21 HA SER 21 -1.524 -3.554 -18.903 151 1HB SER 21 1HB SER 21 -1.507 -4.007 -16.154 152 2HB SER 21 2HB SER 21 -1.290 -2.263 -16.305 153 HG SER 21 HG SER 21 -3.531 -3.178 -16.285 154 H GLN 22 H GLN 22 1.351 -2.627 -17.057 155 HA GLN 22 HA GLN 22 1.402 0.087 -17.662 156 1HB GLN 22 1HB GLN 22 3.716 -1.814 -17.254 157 2HB GLN 22 2HB GLN 22 3.852 -0.061 -17.257 158 1HG GLN 22 1HG GLN 22 2.496 -1.830 -15.258 159 2HG GLN 22 2HG GLN 22 3.789 -0.659 -15.003 160 1HE2 GLN 22 1HE2 GLN 22 0.421 -1.187 -15.131 161 2HE2 GLN 22 2HE2 GLN 22 -0.080 0.430 -14.789 162 H ILE 23 H ILE 23 3.074 -2.564 -19.362 163 HA ILE 23 HA ILE 23 4.163 -1.039 -21.424 164 HB ILE 23 HB ILE 23 3.298 -3.928 -21.398 165 1HG1 ILE 23 1HG1 ILE 23 6.044 -2.664 -21.260 166 2HG1 ILE 23 2HG1 ILE 23 5.140 -3.244 -19.865 167 1HG2 ILE 23 1HG2 ILE 23 4.206 -2.256 -23.606 168 2HG2 ILE 23 2HG2 ILE 23 5.189 -3.700 -23.373 169 3HG2 ILE 23 3HG2 ILE 23 3.451 -3.849 -23.626 170 1HD1 ILE 23 1HD1 ILE 23 5.567 -5.163 -22.068 171 2HD1 ILE 23 2HD1 ILE 23 6.975 -4.706 -21.109 172 3HD1 ILE 23 3HD1 ILE 23 5.564 -5.414 -20.323 173 H GLU 24 H GLU 24 0.967 -2.469 -21.083 174 HA GLU 24 HA GLU 24 0.128 -1.978 -23.756 175 1HB GLU 24 1HB GLU 24 -0.880 -3.412 -21.660 176 2HB GLU 24 2HB GLU 24 -1.962 -2.026 -21.685 177 1HG GLU 24 1HG GLU 24 -1.623 -2.926 -24.353 178 2HG GLU 24 2HG GLU 24 -1.986 -4.321 -23.339 179 H ASP 25 H ASP 25 -0.014 -0.144 -20.763 180 HA ASP 25 HA ASP 25 -1.762 1.884 -21.700 181 1HB ASP 25 1HB ASP 25 -1.185 1.345 -19.278 182 2HB ASP 25 2HB ASP 25 0.321 2.219 -19.543 183 H ALA 26 H ALA 26 1.777 1.816 -21.291 184 HA ALA 26 HA ALA 26 2.323 4.339 -22.336 185 1HB ALA 26 1HB ALA 26 3.989 1.829 -22.333 186 2HB ALA 26 2HB ALA 26 4.598 3.413 -22.815 187 3HB ALA 26 3HB ALA 26 4.029 3.152 -21.167 188 H MET 27 H MET 27 1.988 1.221 -23.978 189 HA MET 27 HA MET 27 2.777 2.064 -26.537 190 1HB MET 27 1HB MET 27 1.610 -0.283 -25.346 191 2HB MET 27 2HB MET 27 0.804 0.079 -26.867 192 1HG MET 27 1HG MET 27 3.331 0.361 -27.662 193 2HG MET 27 2HG MET 27 3.579 -0.782 -26.344 194 1HE MET 27 1HE MET 27 1.616 -0.929 -30.245 195 2HE MET 27 2HE MET 27 0.253 -1.353 -29.209 196 3HE MET 27 3HE MET 27 1.140 0.146 -28.930 197 H ARG 28 H ARG 28 -0.401 1.991 -24.974 198 HA ARG 28 HA ARG 28 -1.981 2.717 -27.139 199 1HB ARG 28 1HB ARG 28 -3.069 2.034 -25.147 200 2HB ARG 28 2HB ARG 28 -2.253 3.264 -24.190 201 1HG ARG 28 1HG ARG 28 -3.815 4.788 -24.630 202 2HG ARG 28 2HG ARG 28 -3.838 4.392 -26.349 203 1HD ARG 28 1HD ARG 28 -5.328 2.556 -25.969 204 2HD ARG 28 2HD ARG 28 -5.177 2.732 -24.222 205 HE ARG 28 HE ARG 28 -6.139 5.143 -25.192 206 1HH1 ARG 28 1HH1 ARG 28 -7.165 1.819 -25.066 207 2HH1 ARG 28 2HH1 ARG 28 -8.854 2.205 -25.031 208 1HH2 ARG 28 1HH2 ARG 28 -8.359 5.665 -25.146 209 2HH2 ARG 28 2HH2 ARG 28 -9.531 4.393 -25.077 210 H LYS 29 H LYS 29 -0.531 4.865 -24.689 211 HA LYS 29 HA LYS 29 -1.290 7.248 -26.059 212 1HB LYS 29 1HB LYS 29 -0.315 6.616 -23.528 213 2HB LYS 29 2HB LYS 29 0.976 7.558 -24.263 214 1HG LYS 29 1HG LYS 29 -0.702 9.317 -24.799 215 2HG LYS 29 2HG LYS 29 -1.890 8.391 -23.879 216 1HD LYS 29 1HD LYS 29 -1.024 10.056 -22.418 217 2HD LYS 29 2HD LYS 29 -0.315 8.518 -21.921 218 1HE LYS 29 1HE LYS 29 1.313 9.818 -23.919 219 2HE LYS 29 2HE LYS 29 1.033 10.882 -22.541 220 1HZ LYS 29 1HZ LYS 29 2.325 9.641 -21.234 221 2HZ LYS 29 2HZ LYS 29 2.923 8.959 -22.661 222 3HZ LYS 29 3HZ LYS 29 1.691 8.179 -21.804 223 H ALA 30 H ALA 30 1.367 5.069 -26.300 224 HA ALA 30 HA ALA 30 3.224 6.885 -27.492 225 1HB ALA 30 1HB ALA 30 3.146 3.870 -27.530 226 2HB ALA 30 2HB ALA 30 4.504 4.866 -28.054 227 3HB ALA 30 3HB ALA 30 4.001 4.881 -26.364 228 H GLY 31 H GLY 31 0.574 4.974 -28.649 229 1HA GLY 31 1HA GLY 31 -0.303 4.646 -30.747 230 2HA GLY 31 2HA GLY 31 0.329 6.250 -31.087 231 H VAL 32 H VAL 32 1.144 2.813 -31.086 232 HA VAL 32 HA VAL 32 3.051 3.360 -33.264 233 HB VAL 32 HB VAL 32 4.338 1.342 -32.427 234 1HG1 VAL 32 1HG1 VAL 32 5.766 2.691 -31.274 235 2HG1 VAL 32 2HG1 VAL 32 4.733 3.929 -31.991 236 3HG1 VAL 32 3HG1 VAL 32 4.479 3.427 -30.319 237 1HG2 VAL 32 1HG2 VAL 32 2.244 0.931 -30.789 238 2HG2 VAL 32 2HG2 VAL 32 3.868 0.328 -30.461 239 3HG2 VAL 32 3HG2 VAL 32 3.311 1.819 -29.702 240 H ALA 33 H ALA 33 3.663 1.014 -34.224 241 HA ALA 33 HA ALA 33 1.334 -0.705 -34.439 242 1HB ALA 33 1HB ALA 33 0.582 -0.016 -36.411 243 2HB ALA 33 2HB ALA 33 1.674 1.363 -36.288 244 3HB ALA 33 3HB ALA 33 2.196 -0.104 -37.117 245 H HIS 34 H HIS 34 2.010 -2.216 -36.590 246 HA HIS 34 HA HIS 34 3.314 -3.967 -37.229 247 1HB HIS 34 1HB HIS 34 5.272 -1.798 -36.679 248 2HB HIS 34 2HB HIS 34 5.910 -3.431 -36.852 249 HD1 HIS 34 HD1 HIS 34 5.742 -4.528 -39.190 250 HD2 HIS 34 HD2 HIS 34 4.296 -0.637 -39.026 251 HE1 HIS 34 HE1 HIS 34 5.480 -3.807 -41.585 252 H SER 35 H SER 35 2.275 -4.939 -35.253 253 HA SER 35 HA SER 35 4.120 -6.505 -33.855 254 1HB SER 35 1HB SER 35 3.338 -5.417 -31.524 255 2HB SER 35 2HB SER 35 4.811 -4.923 -32.359 256 HG SER 35 HG SER 35 3.948 -3.044 -32.743 257 H LYS 36 H LYS 36 3.116 -8.012 -32.413 258 HA LYS 36 HA LYS 36 0.493 -8.736 -33.198 259 1HB LYS 36 1HB LYS 36 2.550 -10.109 -32.154 260 2HB LYS 36 2HB LYS 36 1.613 -9.857 -30.687 261 1HG LYS 36 1HG LYS 36 0.612 -11.153 -33.215 262 2HG LYS 36 2HG LYS 36 1.081 -11.989 -31.733 263 1HD LYS 36 1HD LYS 36 -0.683 -10.648 -30.543 264 2HD LYS 36 2HD LYS 36 -1.227 -10.091 -32.128 265 1HE LYS 36 1HE LYS 36 -1.726 -12.347 -32.802 266 2HE LYS 36 2HE LYS 36 -1.028 -12.989 -31.316 267 1HZ LYS 36 1HZ LYS 36 -3.463 -12.900 -31.258 268 2HZ LYS 36 2HZ LYS 36 -3.410 -11.219 -31.443 269 3HZ LYS 36 3HZ LYS 36 -2.768 -11.938 -30.052 270 H SER 37 H SER 37 1.616 -8.095 -29.876 271 HA SER 37 HA SER 37 -0.206 -6.085 -29.250 272 1HB SER 37 1HB SER 37 -2.040 -7.549 -29.555 273 2HB SER 37 2HB SER 37 -1.213 -8.884 -28.752 274 HG SER 37 HG SER 37 -2.706 -6.864 -27.686 275 H SER 38 H SER 38 -0.362 -5.682 -26.905 276 HA SER 38 HA SER 38 2.078 -5.787 -25.632 277 1HB SER 38 1HB SER 38 -0.525 -4.846 -25.012 278 2HB SER 38 2HB SER 38 0.022 -5.798 -23.632 279 HG SER 38 HG SER 38 1.620 -3.805 -24.853 280 H LYS 39 H LYS 39 -0.735 -7.884 -25.017 281 HA LYS 39 HA LYS 39 0.320 -9.502 -23.055 282 1HB LYS 39 1HB LYS 39 -2.036 -9.486 -24.133 283 2HB LYS 39 2HB LYS 39 -1.362 -10.650 -25.267 284 1HG LYS 39 1HG LYS 39 -1.133 -12.285 -23.666 285 2HG LYS 39 2HG LYS 39 -1.074 -11.124 -22.337 286 1HD LYS 39 1HD LYS 39 -3.568 -10.703 -23.431 287 2HD LYS 39 2HD LYS 39 -3.361 -12.451 -23.564 288 1HE LYS 39 1HE LYS 39 -2.972 -10.845 -21.040 289 2HE LYS 39 2HE LYS 39 -4.427 -11.755 -21.443 290 1HZ LYS 39 1HZ LYS 39 -2.929 -12.978 -19.963 291 2HZ LYS 39 2HZ LYS 39 -1.718 -12.934 -21.142 292 3HZ LYS 39 3HZ LYS 39 -3.152 -13.782 -21.435 293 H ASP 40 H ASP 40 0.750 -9.729 -26.552 294 HA ASP 40 HA ASP 40 2.245 -12.169 -26.436 295 1HB ASP 40 1HB ASP 40 1.318 -10.313 -28.507 296 2HB ASP 40 2HB ASP 40 2.898 -11.015 -28.848 297 H MET 41 H MET 41 3.000 -8.763 -26.335 298 HA MET 41 HA MET 41 5.791 -9.037 -26.846 299 1HB MET 41 1HB MET 41 3.949 -6.880 -26.044 300 2HB MET 41 2HB MET 41 5.598 -6.700 -25.460 301 1HG MET 41 1HG MET 41 6.072 -5.789 -27.420 302 2HG MET 41 2HG MET 41 5.914 -7.403 -28.110 303 1HE MET 41 1HE MET 41 3.895 -3.982 -29.719 304 2HE MET 41 2HE MET 41 5.240 -4.027 -28.580 305 3HE MET 41 3HE MET 41 5.359 -4.880 -30.120 306 H GLU 42 H GLU 42 3.977 -8.364 -23.846 307 HA GLU 42 HA GLU 42 6.167 -8.556 -22.112 308 1HB GLU 42 1HB GLU 42 3.289 -9.218 -21.469 309 2HB GLU 42 2HB GLU 42 4.542 -8.758 -20.325 310 1HG GLU 42 1HG GLU 42 4.015 -6.632 -20.580 311 2HG GLU 42 2HG GLU 42 4.379 -6.733 -22.301 312 H SER 43 H SER 43 3.834 -11.004 -23.172 313 HA SER 43 HA SER 43 4.691 -13.106 -21.548 314 1HB SER 43 1HB SER 43 3.336 -13.006 -24.232 315 2HB SER 43 2HB SER 43 3.786 -14.549 -23.506 316 HG SER 43 HG SER 43 2.427 -14.152 -21.818 317 H HIS 44 H HIS 44 5.743 -12.173 -24.807 318 HA HIS 44 HA HIS 44 7.554 -14.259 -25.235 319 1HB HIS 44 1HB HIS 44 6.785 -12.686 -26.991 320 2HB HIS 44 2HB HIS 44 7.753 -11.415 -26.250 321 HD1 HIS 44 HD1 HIS 44 10.294 -11.489 -26.626 322 HD2 HIS 44 HD2 HIS 44 8.239 -14.623 -28.420 323 HE1 HIS 44 HE1 HIS 44 11.947 -12.575 -28.180 324 H VAL 45 H VAL 45 8.013 -11.088 -23.726 325 HA VAL 45 HA VAL 45 10.798 -11.293 -23.345 326 HB VAL 45 HB VAL 45 8.878 -9.755 -21.596 327 1HG1 VAL 45 1HG1 VAL 45 11.553 -10.122 -21.286 328 2HG1 VAL 45 2HG1 VAL 45 11.513 -8.650 -22.259 329 3HG1 VAL 45 3HG1 VAL 45 10.660 -8.712 -20.716 330 1HG2 VAL 45 1HG2 VAL 45 9.401 -9.465 -24.391 331 2HG2 VAL 45 2HG2 VAL 45 8.348 -8.503 -23.354 332 3HG2 VAL 45 3HG2 VAL 45 10.048 -8.069 -23.528 333 H PHE 46 H PHE 46 8.048 -12.283 -21.373 334 HA PHE 46 HA PHE 46 9.547 -12.970 -19.066 335 1HB PHE 46 1HB PHE 46 7.064 -12.554 -19.140 336 2HB PHE 46 2HB PHE 46 6.886 -14.128 -19.910 337 HD1 PHE 46 HD1 PHE 46 7.654 -16.176 -18.651 338 HD2 PHE 46 HD2 PHE 46 7.224 -12.359 -16.818 339 HE1 PHE 46 HE1 PHE 46 7.577 -17.251 -16.439 340 HE2 PHE 46 HE2 PHE 46 7.147 -13.428 -14.603 341 HZ PHE 46 HZ PHE 46 7.324 -15.877 -14.411 342 H LEU 47 H LEU 47 8.829 -14.613 -22.040 343 HA LEU 47 HA LEU 47 9.711 -17.189 -21.022 344 1HB LEU 47 1HB LEU 47 8.461 -16.191 -23.519 345 2HB LEU 47 2HB LEU 47 9.452 -17.644 -23.634 346 HG LEU 47 HG LEU 47 7.261 -17.483 -21.602 347 1HD1 LEU 47 1HD1 LEU 47 6.774 -17.090 -24.304 348 2HD1 LEU 47 2HD1 LEU 47 5.609 -17.605 -23.084 349 3HD1 LEU 47 3HD1 LEU 47 6.467 -18.808 -24.047 350 1HD2 LEU 47 1HD2 LEU 47 8.839 -19.335 -21.488 351 2HD2 LEU 47 2HD2 LEU 47 8.500 -19.743 -23.170 352 3HD2 LEU 47 3HD2 LEU 47 7.235 -19.904 -21.950 353 H LYS 48 H LYS 48 11.048 -14.437 -22.518 354 HA LYS 48 HA LYS 48 13.378 -15.928 -23.492 355 1HB LYS 48 1HB LYS 48 13.862 -14.144 -24.884 356 2HB LYS 48 2HB LYS 48 12.105 -14.087 -24.837 357 1HG LYS 48 1HG LYS 48 12.382 -11.927 -24.358 358 2HG LYS 48 2HG LYS 48 12.773 -12.488 -22.731 359 1HD LYS 48 1HD LYS 48 14.489 -10.970 -23.448 360 2HD LYS 48 2HD LYS 48 15.165 -12.600 -23.411 361 1HE LYS 48 1HE LYS 48 15.555 -12.603 -25.616 362 2HE LYS 48 2HE LYS 48 13.983 -11.895 -25.984 363 1HZ LYS 48 1HZ LYS 48 15.747 -10.018 -24.749 364 2HZ LYS 48 2HZ LYS 48 14.886 -9.892 -26.200 365 3HZ LYS 48 3HZ LYS 48 16.401 -10.644 -26.179 366 H ALA 49 H ALA 49 12.320 -14.101 -20.845 367 HA ALA 49 HA ALA 49 14.888 -13.036 -20.092 368 1HB ALA 49 1HB ALA 49 12.142 -12.895 -19.089 369 2HB ALA 49 2HB ALA 49 13.376 -12.903 -17.828 370 3HB ALA 49 3HB ALA 49 13.415 -11.674 -19.092 371 H LYS 50 H LYS 50 16.015 -13.621 -18.131 372 HA LYS 50 HA LYS 50 15.835 -16.506 -17.594 373 1HB LYS 50 1HB LYS 50 18.066 -14.609 -17.868 374 2HB LYS 50 2HB LYS 50 18.220 -15.718 -16.512 375 1HG LYS 50 1HG LYS 50 19.114 -17.123 -17.989 376 2HG LYS 50 2HG LYS 50 17.459 -17.387 -18.541 377 1HD LYS 50 1HD LYS 50 17.704 -15.940 -20.353 378 2HD LYS 50 2HD LYS 50 19.107 -15.138 -19.643 379 1HE LYS 50 1HE LYS 50 19.870 -17.798 -19.873 380 2HE LYS 50 2HE LYS 50 18.971 -17.472 -21.354 381 1HZ LYS 50 1HZ LYS 50 20.456 -15.856 -22.005 382 2HZ LYS 50 2HZ LYS 50 21.485 -16.980 -21.271 383 3HZ LYS 50 3HZ LYS 50 21.033 -15.580 -20.438 384 H THR 51 H THR 51 15.719 -13.354 -16.140 385 HA THR 51 HA THR 51 14.783 -14.533 -13.655 386 HB THR 51 HB THR 51 16.291 -13.255 -12.229 387 HG1 THR 51 HG1 THR 51 18.230 -12.394 -13.504 388 1HG2 THR 51 1HG2 THR 51 16.938 -15.540 -12.897 389 2HG2 THR 51 2HG2 THR 51 18.340 -14.509 -12.608 390 3HG2 THR 51 3HG2 THR 51 17.836 -14.871 -14.259 391 H ARG 52 H ARG 52 14.086 -12.749 -12.098 392 HA ARG 52 HA ARG 52 12.134 -11.177 -13.246 393 1HB ARG 52 1HB ARG 52 11.858 -10.144 -11.131 394 2HB ARG 52 2HB ARG 52 12.412 -11.779 -10.799 395 1HG ARG 52 1HG ARG 52 14.711 -10.886 -10.523 396 2HG ARG 52 2HG ARG 52 14.052 -9.259 -10.707 397 1HD ARG 52 1HD ARG 52 12.518 -9.791 -8.779 398 2HD ARG 52 2HD ARG 52 13.466 -11.257 -8.533 399 HE ARG 52 HE ARG 52 15.032 -8.843 -8.602 400 1HH1 ARG 52 1HH1 ARG 52 13.184 -11.018 -6.609 401 2HH1 ARG 52 2HH1 ARG 52 13.987 -10.564 -5.142 402 1HH2 ARG 52 1HH2 ARG 52 16.097 -8.237 -6.678 403 2HH2 ARG 52 2HH2 ARG 52 15.643 -8.982 -5.182 404 H ASP 53 H ASP 53 15.519 -10.478 -12.768 405 HA ASP 53 HA ASP 53 15.376 -7.676 -13.193 406 1HB ASP 53 1HB ASP 53 17.299 -8.997 -12.153 407 2HB ASP 53 2HB ASP 53 17.766 -9.411 -13.800 408 H GLU 54 H GLU 54 16.159 -10.399 -15.341 409 HA GLU 54 HA GLU 54 16.718 -8.978 -17.653 410 1HB GLU 54 1HB GLU 54 16.894 -11.502 -17.207 411 2HB GLU 54 2HB GLU 54 15.201 -11.578 -17.677 412 1HG GLU 54 1HG GLU 54 15.643 -11.202 -19.864 413 2HG GLU 54 2HG GLU 54 17.039 -10.182 -19.522 414 H TYR 55 H TYR 55 13.577 -10.285 -16.601 415 HA TYR 55 HA TYR 55 12.095 -9.253 -18.762 416 1HB TYR 55 1HB TYR 55 11.153 -11.021 -17.448 417 2HB TYR 55 2HB TYR 55 11.271 -10.068 -15.973 418 HD1 TYR 55 HD1 TYR 55 9.493 -8.697 -15.292 419 HD2 TYR 55 HD2 TYR 55 9.548 -10.231 -19.260 420 HE1 TYR 55 HE1 TYR 55 7.200 -7.876 -15.634 421 HE2 TYR 55 HE2 TYR 55 7.256 -9.413 -19.614 422 HH TYR 55 HH TYR 55 5.373 -8.674 -18.509 423 H LEU 56 H LEU 56 12.214 -8.097 -15.387 424 HA LEU 56 HA LEU 56 10.771 -5.775 -15.682 425 1HB LEU 56 1HB LEU 56 13.037 -6.535 -13.886 426 2HB LEU 56 2HB LEU 56 12.375 -4.903 -13.830 427 HG LEU 56 HG LEU 56 10.466 -7.163 -13.577 428 1HD1 LEU 56 1HD1 LEU 56 11.645 -8.117 -11.935 429 2HD1 LEU 56 2HD1 LEU 56 11.159 -6.720 -10.975 430 3HD1 LEU 56 3HD1 LEU 56 12.729 -6.735 -11.778 431 1HD2 LEU 56 1HD2 LEU 56 9.145 -5.488 -12.973 432 2HD2 LEU 56 2HD2 LEU 56 10.479 -4.359 -13.213 433 3HD2 LEU 56 3HD2 LEU 56 10.222 -5.096 -11.631 434 H SER 57 H SER 57 14.067 -6.429 -16.626 435 HA SER 57 HA SER 57 14.797 -3.700 -17.070 436 1HB SER 57 1HB SER 57 16.444 -5.532 -16.640 437 2HB SER 57 2HB SER 57 16.069 -6.189 -18.233 438 HG SER 57 HG SER 57 16.644 -3.944 -18.963 439 H LEU 58 H LEU 58 14.127 -6.397 -19.309 440 HA LEU 58 HA LEU 58 14.159 -4.893 -21.660 441 1HB LEU 58 1HB LEU 58 12.824 -7.465 -20.894 442 2HB LEU 58 2HB LEU 58 12.607 -6.769 -22.499 443 HG LEU 58 HG LEU 58 15.402 -7.090 -21.609 444 1HD1 LEU 58 1HD1 LEU 58 13.559 -9.419 -22.046 445 2HD1 LEU 58 2HD1 LEU 58 14.692 -9.143 -20.723 446 3HD1 LEU 58 3HD1 LEU 58 15.295 -9.525 -22.336 447 1HD2 LEU 58 1HD2 LEU 58 14.655 -6.278 -23.853 448 2HD2 LEU 58 2HD2 LEU 58 14.007 -7.890 -24.157 449 3HD2 LEU 58 3HD2 LEU 58 15.738 -7.669 -23.899 450 H VAL 59 H VAL 59 11.555 -5.541 -19.379 451 HA VAL 59 HA VAL 59 9.432 -4.504 -20.909 452 HB VAL 59 HB VAL 59 9.732 -4.616 -17.905 453 1HG1 VAL 59 1HG1 VAL 59 7.637 -3.548 -19.621 454 2HG1 VAL 59 2HG1 VAL 59 7.049 -4.775 -18.497 455 3HG1 VAL 59 3HG1 VAL 59 7.892 -3.350 -17.888 456 1HG2 VAL 59 1HG2 VAL 59 9.045 -6.761 -17.958 457 2HG2 VAL 59 2HG2 VAL 59 7.952 -6.489 -19.314 458 3HG2 VAL 59 3HG2 VAL 59 9.676 -6.720 -19.604 459 H ALA 60 H ALA 60 11.237 -2.974 -18.236 460 HA ALA 60 HA ALA 60 10.107 -0.454 -18.379 461 1HB ALA 60 1HB ALA 60 12.702 -1.513 -17.400 462 2HB ALA 60 2HB ALA 60 12.535 0.235 -17.574 463 3HB ALA 60 3HB ALA 60 11.426 -0.658 -16.533 464 H ARG 61 H ARG 61 13.087 -1.573 -19.989 465 HA ARG 61 HA ARG 61 13.751 0.737 -21.339 466 1HB ARG 61 1HB ARG 61 14.970 -1.542 -21.225 467 2HB ARG 61 2HB ARG 61 14.016 -1.958 -22.642 468 1HG ARG 61 1HG ARG 61 15.018 0.435 -23.400 469 2HG ARG 61 2HG ARG 61 16.322 -0.164 -22.374 470 1HD ARG 61 1HD ARG 61 15.877 -2.380 -23.768 471 2HD ARG 61 2HD ARG 61 15.286 -1.214 -24.951 472 HE ARG 61 HE ARG 61 18.002 -1.714 -24.253 473 1HH1 ARG 61 1HH1 ARG 61 15.793 0.772 -25.285 474 2HH1 ARG 61 2HH1 ARG 61 17.021 1.731 -26.043 475 1HH2 ARG 61 1HH2 ARG 61 19.628 -0.460 -25.247 476 2HH2 ARG 61 2HH2 ARG 61 19.202 1.029 -26.022 477 H LEU 62 H LEU 62 11.591 -1.868 -22.429 478 HA LEU 62 HA LEU 62 10.972 -0.820 -24.941 479 1HB LEU 62 1HB LEU 62 10.197 -3.009 -23.403 480 2HB LEU 62 2HB LEU 62 8.703 -2.126 -23.713 481 HG LEU 62 HG LEU 62 10.516 -2.745 -26.001 482 1HD1 LEU 62 1HD1 LEU 62 10.045 -4.945 -26.112 483 2HD1 LEU 62 2HD1 LEU 62 8.452 -4.755 -25.381 484 3HD1 LEU 62 3HD1 LEU 62 9.891 -4.784 -24.363 485 1HD2 LEU 62 1HD2 LEU 62 8.505 -2.695 -27.256 486 2HD2 LEU 62 2HD2 LEU 62 8.449 -1.314 -26.160 487 3HD2 LEU 62 3HD2 LEU 62 7.513 -2.765 -25.800 488 H ILE 63 H ILE 63 9.285 -0.410 -21.837 489 HA ILE 63 HA ILE 63 7.221 1.236 -22.783 490 HB ILE 63 HB ILE 63 8.471 0.991 -20.053 491 1HG1 ILE 63 1HG1 ILE 63 5.798 0.094 -21.154 492 2HG1 ILE 63 2HG1 ILE 63 7.198 -0.947 -20.916 493 1HG2 ILE 63 1HG2 ILE 63 7.612 3.210 -20.127 494 2HG2 ILE 63 2HG2 ILE 63 6.132 2.675 -20.922 495 3HG2 ILE 63 3HG2 ILE 63 6.444 2.227 -19.245 496 1HD1 ILE 63 1HD1 ILE 63 7.094 -0.382 -18.486 497 2HD1 ILE 63 2HD1 ILE 63 5.566 0.438 -18.809 498 3HD1 ILE 63 3HD1 ILE 63 5.715 -1.295 -19.100 499 H ILE 64 H ILE 64 10.235 2.158 -21.111 500 HA ILE 64 HA ILE 64 9.972 4.898 -21.216 501 HB ILE 64 HB ILE 64 12.464 3.214 -21.428 502 1HG1 ILE 64 1HG1 ILE 64 12.078 4.837 -19.044 503 2HG1 ILE 64 2HG1 ILE 64 10.733 3.732 -19.308 504 1HG2 ILE 64 1HG2 ILE 64 13.580 5.398 -20.659 505 2HG2 ILE 64 2HG2 ILE 64 13.168 5.226 -22.365 506 3HG2 ILE 64 3HG2 ILE 64 12.142 6.190 -21.303 507 1HD1 ILE 64 1HD1 ILE 64 13.180 2.332 -19.719 508 2HD1 ILE 64 2HD1 ILE 64 13.241 3.180 -18.173 509 3HD1 ILE 64 3HD1 ILE 64 11.925 2.056 -18.512 510 H HIS 65 H HIS 65 11.180 2.713 -23.717 511 HA HIS 65 HA HIS 65 12.038 4.690 -25.531 512 1HB HIS 65 1HB HIS 65 12.114 1.940 -25.448 513 2HB HIS 65 2HB HIS 65 10.983 2.247 -26.763 514 HD1 HIS 65 HD1 HIS 65 14.246 3.978 -25.827 515 HD2 HIS 65 HD2 HIS 65 12.430 2.059 -29.033 516 HE1 HIS 65 HE1 HIS 65 15.878 4.162 -27.732 517 H PHE 66 H PHE 66 8.921 3.136 -25.010 518 HA PHE 66 HA PHE 66 7.627 4.116 -27.312 519 1HB PHE 66 1HB PHE 66 6.747 2.986 -24.699 520 2HB PHE 66 2HB PHE 66 5.550 3.840 -25.667 521 HD1 PHE 66 HD1 PHE 66 6.044 3.131 -28.360 522 HD2 PHE 66 HD2 PHE 66 6.460 0.722 -24.877 523 HE1 PHE 66 HE1 PHE 66 5.703 1.110 -29.722 524 HE2 PHE 66 HE2 PHE 66 6.120 -1.303 -26.232 525 HZ PHE 66 HZ PHE 66 5.742 -1.111 -28.658 526 H ARG 67 H ARG 67 8.001 5.436 -24.058 527 HA ARG 67 HA ARG 67 6.268 7.637 -24.368 528 1HB ARG 67 1HB ARG 67 8.601 7.099 -22.542 529 2HB ARG 67 2HB ARG 67 7.719 8.619 -22.488 530 1HG ARG 67 1HG ARG 67 6.087 7.718 -21.289 531 2HG ARG 67 2HG ARG 67 5.914 6.372 -22.418 532 1HD ARG 67 1HD ARG 67 7.460 5.059 -21.282 533 2HD ARG 67 2HD ARG 67 8.189 6.447 -20.474 534 HE ARG 67 HE ARG 67 5.909 4.936 -19.603 535 1HH1 ARG 67 1HH1 ARG 67 7.520 8.018 -19.451 536 2HH1 ARG 67 2HH1 ARG 67 6.809 8.462 -17.935 537 1HH2 ARG 67 1HH2 ARG 67 4.966 5.509 -17.606 538 2HH2 ARG 67 2HH2 ARG 67 5.358 7.033 -16.885 539 H ASP 68 H ASP 68 9.763 7.294 -24.864 540 HA ASP 68 HA ASP 68 10.312 9.968 -25.496 541 1HB ASP 68 1HB ASP 68 11.666 7.376 -26.208 542 2HB ASP 68 2HB ASP 68 12.278 8.920 -26.795 543 H ILE 69 H ILE 69 9.508 7.224 -27.606 544 HA ILE 69 HA ILE 69 9.731 8.476 -30.066 545 HB ILE 69 HB ILE 69 7.717 6.379 -29.251 546 1HG1 ILE 69 1HG1 ILE 69 10.178 5.781 -30.822 547 2HG1 ILE 69 2HG1 ILE 69 10.359 6.077 -29.097 548 1HG2 ILE 69 1HG2 ILE 69 7.854 5.827 -31.739 549 2HG2 ILE 69 2HG2 ILE 69 6.928 7.254 -31.275 550 3HG2 ILE 69 3HG2 ILE 69 8.554 7.434 -31.932 551 1HD1 ILE 69 1HD1 ILE 69 8.242 4.311 -29.248 552 2HD1 ILE 69 2HD1 ILE 69 9.369 3.745 -30.482 553 3HD1 ILE 69 3HD1 ILE 69 9.907 3.928 -28.812 554 H HIS 70 H HIS 70 6.836 8.216 -28.007 555 HA HIS 70 HA HIS 70 5.071 9.628 -29.621 556 1HB HIS 70 1HB HIS 70 4.597 8.333 -27.458 557 2HB HIS 70 2HB HIS 70 5.044 9.812 -26.613 558 HD1 HIS 70 HD1 HIS 70 2.944 9.567 -29.758 559 HD2 HIS 70 HD2 HIS 70 2.590 10.648 -25.762 560 HE1 HIS 70 HE1 HIS 70 0.637 10.542 -29.527 561 H ASN 71 H ASN 71 7.026 10.886 -26.916 562 HA ASN 71 HA ASN 71 6.322 13.555 -27.117 563 1HB ASN 71 1HB ASN 71 8.645 12.069 -26.028 564 2HB ASN 71 2HB ASN 71 8.887 13.789 -26.318 565 1HD2 ASN 71 1HD2 ASN 71 9.166 13.732 -23.949 566 2HD2 ASN 71 2HD2 ASN 71 7.759 13.906 -22.963 567 H LYS 72 H LYS 72 9.387 12.214 -28.356 568 HA LYS 72 HA LYS 72 9.098 13.469 -30.905 569 1HB LYS 72 1HB LYS 72 10.538 14.874 -28.751 570 2HB LYS 72 2HB LYS 72 11.421 14.744 -30.267 571 1HG LYS 72 1HG LYS 72 9.046 15.558 -31.205 572 2HG LYS 72 2HG LYS 72 9.007 16.300 -29.604 573 1HD LYS 72 1HD LYS 72 11.560 16.844 -30.485 574 2HD LYS 72 2HD LYS 72 10.590 16.994 -31.952 575 1HE LYS 72 1HE LYS 72 9.181 18.629 -30.944 576 2HE LYS 72 2HE LYS 72 9.878 18.336 -29.351 577 1HZ LYS 72 1HZ LYS 72 11.971 19.233 -30.126 578 2HZ LYS 72 2HZ LYS 72 10.736 20.364 -30.361 579 3HZ LYS 72 3HZ LYS 72 11.333 19.480 -31.674 580 H LYS 73 H LYS 73 11.981 12.923 -28.895 581 HA LYS 73 HA LYS 73 13.760 11.526 -29.128 582 1HB LYS 73 1HB LYS 73 11.595 9.917 -29.247 583 2HB LYS 73 2HB LYS 73 12.302 9.584 -30.823 584 1HG LYS 73 1HG LYS 73 14.360 8.877 -29.817 585 2HG LYS 73 2HG LYS 73 13.796 9.371 -28.219 586 1HD LYS 73 1HD LYS 73 13.350 7.128 -28.120 587 2HD LYS 73 2HD LYS 73 11.822 7.712 -28.785 588 1HE LYS 73 1HE LYS 73 12.534 5.791 -30.042 589 2HE LYS 73 2HE LYS 73 12.684 7.224 -31.059 590 1HZ LYS 73 1HZ LYS 73 14.908 7.038 -31.142 591 2HZ LYS 73 2HZ LYS 73 14.614 5.417 -30.758 592 3HZ LYS 73 3HZ LYS 73 15.051 6.509 -29.541 593 H SER 74 H SER 74 15.145 10.356 -30.825 594 HA SER 74 HA SER 74 15.885 12.125 -32.812 595 1HB SER 74 1HB SER 74 17.232 10.179 -31.919 596 2HB SER 74 2HB SER 74 16.290 9.133 -32.981 597 HG SER 74 HG SER 74 17.028 10.828 -34.637 598 H GLN 75 H GLN 75 13.456 9.628 -32.878 599 HA GLN 75 HA GLN 75 13.139 9.501 -35.696 600 1HB GLN 75 1HB GLN 75 12.243 7.981 -33.669 601 2HB GLN 75 2HB GLN 75 10.802 8.947 -33.957 602 1HG GLN 75 1HG GLN 75 10.391 7.997 -35.968 603 2HG GLN 75 2HG GLN 75 12.099 7.749 -36.325 604 1HE2 GLN 75 1HE2 GLN 75 9.296 6.485 -34.694 605 2HE2 GLN 75 2HE2 GLN 75 9.907 4.888 -34.454 606 H ALA 76 H ALA 76 10.753 9.969 -36.537 607 HA ALA 76 HA ALA 76 10.158 12.772 -35.838 608 1HB ALA 76 1HB ALA 76 9.378 13.000 -38.208 609 2HB ALA 76 2HB ALA 76 11.112 12.737 -38.020 610 3HB ALA 76 3HB ALA 76 10.068 11.407 -38.521 611 H SER 77 H SER 77 8.791 9.701 -36.952 612 HA SER 77 HA SER 77 6.103 10.410 -37.011 613 1HB SER 77 1HB SER 77 7.395 8.154 -37.599 614 2HB SER 77 2HB SER 77 6.821 7.700 -35.995 615 HG SER 77 HG SER 77 5.352 7.167 -37.714 616 H VAL 78 H VAL 78 4.404 10.160 -35.513 617 HA VAL 78 HA VAL 78 5.268 10.240 -32.695 618 HB VAL 78 HB VAL 78 3.144 11.554 -32.308 619 1HG1 VAL 78 1HG1 VAL 78 4.633 13.197 -32.190 620 2HG1 VAL 78 2HG1 VAL 78 5.672 12.391 -33.367 621 3HG1 VAL 78 3HG1 VAL 78 4.402 13.488 -33.913 622 1HG2 VAL 78 1HG2 VAL 78 3.112 12.462 -35.099 623 2HG2 VAL 78 2HG2 VAL 78 2.508 10.825 -34.848 624 3HG2 VAL 78 3HG2 VAL 78 1.777 12.177 -33.983
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