NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
558178 | 2m16 | 18478 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H MET 1 H MET 1 1.808 0.000 0.855 2 HA MET 1 HA MET 1 1.495 -0.487 -1.998 3 HB2 MET 1 2HB MET 1 2.468 2.059 -0.810 4 HB3 MET 1 3HB MET 1 3.325 1.448 -2.219 5 HG2 MET 1 2HG MET 1 1.743 2.842 -3.147 6 HG3 MET 1 3HG MET 1 0.989 1.255 -3.281 7 HE1 MET 1 3HE MET 1 1.382 4.133 -0.605 8 HE2 MET 1 1HE MET 1 0.651 4.848 -2.042 9 HE3 MET 1 2HE MET 1 -0.283 4.715 -0.552 10 H THR 2 H THR 2 3.882 -0.421 -2.985 11 HA THR 2 HA THR 2 5.366 -2.366 -1.414 12 HB THR 2 HB THR 2 6.845 -2.346 -3.553 13 HG1 THR 2 HG1 THR 2 4.469 -1.301 -4.697 14 HG21 THR 2 3HG2 THR 2 5.455 -3.990 -4.571 15 HG22 THR 2 1HG2 THR 2 4.000 -3.297 -3.856 16 HG23 THR 2 2HG2 THR 2 5.187 -4.107 -2.832 17 H ARG 3 H ARG 3 5.542 0.967 -2.293 18 HA ARG 3 HA ARG 3 8.244 1.515 -2.186 19 HB2 ARG 3 2HB ARG 3 6.024 3.218 -1.039 20 HB3 ARG 3 3HB ARG 3 7.627 3.777 -1.498 21 HG2 ARG 3 2HG ARG 3 5.997 2.416 -3.568 22 HG3 ARG 3 3HG ARG 3 5.530 4.048 -3.085 23 HD2 ARG 3 2HD ARG 3 8.338 3.321 -3.883 24 HD3 ARG 3 3HD ARG 3 7.126 3.864 -5.043 25 HE ARG 3 HE ARG 3 7.245 5.712 -2.942 26 HH11 ARG 3 1HH1 ARG 3 9.192 4.559 -5.588 27 HH12 ARG 3 2HH1 ARG 3 10.040 6.056 -5.788 28 HH21 ARG 3 1HH2 ARG 3 8.355 7.689 -3.196 29 HH22 ARG 3 2HH2 ARG 3 9.563 7.836 -4.426 30 H ASP 4 H ASP 4 9.722 1.951 -0.581 31 HA ASP 4 HA ASP 4 9.316 0.615 1.913 32 HB2 ASP 4 2HB ASP 4 11.605 1.206 2.404 33 HB3 ASP 4 3HB ASP 4 11.506 0.694 0.722 34 H PHE 5 H PHE 5 10.040 1.776 3.992 35 HA PHE 5 HA PHE 5 8.671 4.383 4.118 36 HB2 PHE 5 2HB PHE 5 8.539 1.983 5.855 37 HB3 PHE 5 3HB PHE 5 8.538 3.541 6.674 38 HD1 PHE 5 HD2 PHE 5 6.739 5.173 6.221 39 HD2 PHE 5 HD1 PHE 5 6.650 1.219 4.646 40 HE1 PHE 5 HE2 PHE 5 4.333 5.412 5.764 41 HE2 PHE 5 HE1 PHE 5 4.244 1.453 4.185 42 HZ PHE 5 HZ PHE 5 3.082 3.551 4.745 43 H LYS 6 H LYS 6 9.347 5.462 6.370 44 HA LYS 6 HA LYS 6 12.285 5.592 6.307 45 HB2 LYS 6 2HB LYS 6 10.147 7.620 6.736 46 HB3 LYS 6 3HB LYS 6 11.665 7.841 7.596 47 HG2 LYS 6 2HG LYS 6 12.079 9.030 5.692 48 HG3 LYS 6 3HG LYS 6 12.709 7.448 5.225 49 HD2 LYS 6 2HD LYS 6 11.420 7.915 3.393 50 HD3 LYS 6 3HD LYS 6 10.225 7.093 4.399 51 HE2 LYS 6 2HE LYS 6 9.078 8.982 3.719 52 HE3 LYS 6 3HE LYS 6 9.712 9.476 5.288 53 HZ1 LYS 6 3HZ LYS 6 11.193 10.040 2.796 54 HZ2 LYS 6 1HZ LYS 6 11.332 10.795 4.303 55 HZ3 LYS 6 2HZ LYS 6 9.971 11.076 3.340 56 HA PRO 7 HA PRO 7 12.672 4.267 10.471 57 HB2 PRO 7 2HB PRO 7 14.631 5.887 11.424 58 HB3 PRO 7 3HB PRO 7 14.938 4.587 10.265 59 HG2 PRO 7 2HG PRO 7 14.611 7.522 9.776 60 HG3 PRO 7 3HG PRO 7 15.790 6.397 9.080 61 HD2 PRO 7 2HD PRO 7 13.572 7.192 7.746 62 HD3 PRO 7 3HD PRO 7 14.288 5.581 7.533 63 H GLY 8 H GLY 8 11.353 4.585 12.146 64 HA2 GLY 8 2HA GLY 8 10.387 5.672 13.955 65 HA3 GLY 8 3HA GLY 8 11.207 7.148 13.466 66 H ASP 9 H ASP 9 9.252 5.353 11.214 67 HA ASP 9 HA ASP 9 7.461 7.637 10.989 68 HB2 ASP 9 2HB ASP 9 8.292 5.413 9.250 69 HB3 ASP 9 3HB ASP 9 6.588 5.842 9.121 70 H LEU 10 H LEU 10 5.260 7.573 11.313 71 HA LEU 10 HA LEU 10 4.328 5.517 13.121 72 HB2 LEU 10 2HB LEU 10 2.917 7.945 12.025 73 HB3 LEU 10 3HB LEU 10 2.323 6.905 13.318 74 HG LEU 10 HG LEU 10 3.153 8.757 14.446 75 HD11 LEU 10 1HD1 LEU 10 5.668 7.149 14.461 76 HD12 LEU 10 2HD1 LEU 10 4.168 6.441 15.060 77 HD13 LEU 10 3HD1 LEU 10 4.808 7.907 15.802 78 HD21 LEU 10 3HD2 LEU 10 5.790 8.791 13.067 79 HD22 LEU 10 1HD2 LEU 10 4.882 10.110 13.808 80 HD23 LEU 10 2HD2 LEU 10 4.393 9.477 12.236 81 H ILE 11 H ILE 11 3.561 3.673 12.340 82 HA ILE 11 HA ILE 11 1.527 3.741 10.264 83 HB ILE 11 HB ILE 11 2.596 1.934 8.961 84 HG12 ILE 11 2HG1 ILE 11 5.225 1.932 9.393 85 HG13 ILE 11 3HG1 ILE 11 4.707 2.314 11.032 86 HG21 ILE 11 1HG2 ILE 11 4.532 4.210 9.035 87 HG22 ILE 11 2HG2 ILE 11 3.870 3.349 7.646 88 HG23 ILE 11 3HG2 ILE 11 2.859 4.479 8.547 89 HD11 ILE 11 3HD1 ILE 11 4.691 -0.201 9.636 90 HD12 ILE 11 1HD1 ILE 11 4.464 0.139 11.351 91 HD13 ILE 11 2HD1 ILE 11 3.087 0.197 10.250 92 H PHE 12 H PHE 12 0.086 2.051 10.369 93 HA PHE 12 HA PHE 12 0.105 0.541 12.828 94 HB2 PHE 12 2HB PHE 12 -1.859 1.106 10.672 95 HB3 PHE 12 3HB PHE 12 -2.075 -0.392 11.571 96 HD1 PHE 12 HD2 PHE 12 -1.108 3.100 12.475 97 HD2 PHE 12 HD1 PHE 12 -3.689 -0.210 13.179 98 HE1 PHE 12 HE2 PHE 12 -2.213 4.351 14.283 99 HE2 PHE 12 HE1 PHE 12 -4.799 1.036 14.988 100 HZ PHE 12 HZ PHE 12 -4.060 3.319 15.543 101 H ALA 13 H ALA 13 1.247 -1.270 12.973 102 HA ALA 13 HA ALA 13 1.931 -2.830 10.649 103 HB1 ALA 13 1HB ALA 13 2.667 -4.293 12.893 104 HB2 ALA 13 2HB ALA 13 3.691 -3.203 11.958 105 HB3 ALA 13 3HB ALA 13 2.841 -2.608 13.384 106 H LYS 14 H LYS 14 0.995 -4.650 9.939 107 HA LYS 14 HA LYS 14 -1.223 -5.753 11.535 108 HB2 LYS 14 2HB LYS 14 -1.954 -4.757 9.424 109 HB3 LYS 14 3HB LYS 14 -0.821 -5.769 8.537 110 HG2 LYS 14 2HG LYS 14 -2.826 -6.874 8.252 111 HG3 LYS 14 3HG LYS 14 -2.100 -7.740 9.608 112 HD2 LYS 14 2HD LYS 14 -3.486 -6.624 11.176 113 HD3 LYS 14 3HD LYS 14 -4.026 -5.454 9.970 114 HE2 LYS 14 2HE LYS 14 -4.623 -8.412 9.968 115 HE3 LYS 14 3HE LYS 14 -5.746 -7.131 10.422 116 HZ1 LYS 14 3HZ LYS 14 -5.170 -6.263 8.047 117 HZ2 LYS 14 1HZ LYS 14 -6.326 -7.480 8.255 118 HZ3 LYS 14 2HZ LYS 14 -4.758 -7.879 7.763 119 H MET 15 H MET 15 -0.474 -7.488 12.591 120 HA MET 15 HA MET 15 1.520 -9.222 11.421 121 HB2 MET 15 2HB MET 15 0.253 -8.888 14.071 122 HB3 MET 15 3HB MET 15 0.742 -10.527 13.663 123 HG2 MET 15 2HG MET 15 2.950 -9.120 12.948 124 HG3 MET 15 3HG MET 15 2.363 -8.182 14.319 125 HE1 MET 15 3HE MET 15 3.749 -12.558 14.372 126 HE2 MET 15 1HE MET 15 2.767 -11.813 13.111 127 HE3 MET 15 2HE MET 15 4.454 -11.337 13.312 128 H LYS 16 H LYS 16 1.229 -11.264 10.646 129 HA LYS 16 HA LYS 16 -1.143 -11.969 9.414 130 HB2 LYS 16 2HB LYS 16 1.202 -13.643 10.300 131 HB3 LYS 16 3HB LYS 16 -0.145 -14.324 9.398 132 HG2 LYS 16 2HG LYS 16 0.295 -12.797 7.556 133 HG3 LYS 16 3HG LYS 16 1.623 -12.070 8.464 134 HD2 LYS 16 2HD LYS 16 2.718 -14.309 8.521 135 HD3 LYS 16 3HD LYS 16 1.440 -14.910 7.463 136 HE2 LYS 16 2HE LYS 16 3.472 -12.769 6.858 137 HE3 LYS 16 3HE LYS 16 3.334 -14.359 6.109 138 HZ1 LYS 16 3HZ LYS 16 0.969 -13.477 5.502 139 HZ2 LYS 16 1HZ LYS 16 2.310 -13.055 4.560 140 HZ3 LYS 16 2HZ LYS 16 1.696 -11.962 5.695 141 H GLY 17 H GLY 17 -3.047 -12.297 10.364 142 HA2 GLY 17 2HA GLY 17 -4.577 -13.620 11.556 143 HA3 GLY 17 3HA GLY 17 -3.238 -14.325 12.449 144 H TYR 18 H TYR 18 -3.390 -10.888 12.144 145 HA TYR 18 HA TYR 18 -4.735 -10.560 14.705 146 HB2 TYR 18 2HB TYR 18 -1.947 -9.468 14.296 147 HB3 TYR 18 3HB TYR 18 -2.921 -9.385 15.760 148 HD1 TYR 18 HD1 TYR 18 -0.957 -11.621 13.585 149 HD2 TYR 18 HD2 TYR 18 -3.026 -11.228 17.282 150 HE1 TYR 18 HE1 TYR 18 0.055 -13.721 14.368 151 HE2 TYR 18 HE2 TYR 18 -2.019 -13.327 18.075 152 HH TYR 18 HH TYR 18 -0.645 -15.550 16.149 153 HA PRO 19 HA PRO 19 -6.189 -6.843 12.876 154 HB2 PRO 19 2HB PRO 19 -6.586 -5.306 15.078 155 HB3 PRO 19 3HB PRO 19 -7.625 -6.674 14.661 156 HG2 PRO 19 2HG PRO 19 -5.373 -6.537 16.628 157 HG3 PRO 19 3HG PRO 19 -6.961 -7.306 16.798 158 HD2 PRO 19 2HD PRO 19 -4.720 -8.708 16.216 159 HD3 PRO 19 3HD PRO 19 -6.323 -9.178 15.615 160 H HIS 20 H HIS 20 -5.828 -4.408 12.915 161 HA HIS 20 HA HIS 20 -3.040 -3.902 12.548 162 HB2 HIS 20 2HB HIS 20 -5.311 -1.905 12.564 163 HB3 HIS 20 3HB HIS 20 -3.717 -1.685 11.848 164 HD1 HIS 20 HD1 HIS 20 -6.850 -3.757 11.371 165 HD2 HIS 20 HD2 HIS 20 -3.503 -2.505 9.252 166 HE1 HIS 20 HE1 HIS 20 -7.253 -4.473 8.994 167 H TRP 21 H TRP 21 -1.689 -2.521 13.695 168 HA TRP 21 HA TRP 21 -2.653 -1.343 16.175 169 HB2 TRP 21 2HB TRP 21 -2.039 -3.545 16.938 170 HB3 TRP 21 3HB TRP 21 -0.500 -3.463 16.084 171 HD1 TRP 21 HD1 TRP 21 1.356 -1.724 17.114 172 HE1 TRP 21 HE1 TRP 21 1.736 -0.967 19.545 173 HE3 TRP 21 HE3 TRP 21 -3.168 -3.047 19.093 174 HZ2 TRP 21 HZ2 TRP 21 0.307 -0.936 21.979 175 HZ3 TRP 21 HZ3 TRP 21 -3.581 -2.620 21.481 176 HH2 TRP 21 HH2 TRP 21 -1.878 -1.587 22.893 177 HA PRO 22 HA PRO 22 0.186 1.789 14.918 178 HB2 PRO 22 2HB PRO 22 0.313 3.167 17.253 179 HB3 PRO 22 3HB PRO 22 -1.088 3.227 16.177 180 HG2 PRO 22 2HG PRO 22 -0.681 1.617 18.667 181 HG3 PRO 22 3HG PRO 22 -2.115 2.517 18.138 182 HD2 PRO 22 2HD PRO 22 -1.894 -0.167 17.858 183 HD3 PRO 22 3HD PRO 22 -2.793 0.843 16.707 184 H ALA 23 H ALA 23 2.263 1.277 14.599 185 HA ALA 23 HA ALA 23 3.945 0.770 16.960 186 HB1 ALA 23 1HB ALA 23 3.782 -1.371 16.060 187 HB2 ALA 23 2HB ALA 23 3.833 -0.781 14.398 188 HB3 ALA 23 3HB ALA 23 5.292 -0.754 15.388 189 H ARG 24 H ARG 24 6.395 0.730 15.965 190 HA ARG 24 HA ARG 24 6.673 3.157 14.325 191 HB2 ARG 24 2HB ARG 24 7.106 3.900 16.543 192 HB3 ARG 24 3HB ARG 24 8.080 2.481 16.903 193 HG2 ARG 24 2HG ARG 24 9.028 4.155 14.673 194 HG3 ARG 24 3HG ARG 24 9.105 4.881 16.280 195 HD2 ARG 24 2HD ARG 24 10.225 2.700 17.008 196 HD3 ARG 24 3HD ARG 24 10.425 2.373 15.288 197 HE ARG 24 HE ARG 24 12.072 3.970 15.202 198 HH11 ARG 24 1HH1 ARG 24 10.346 4.236 18.214 199 HH12 ARG 24 2HH1 ARG 24 11.465 5.363 18.906 200 HH21 ARG 24 1HH2 ARG 24 13.552 5.454 16.102 201 HH22 ARG 24 2HH2 ARG 24 13.288 6.056 17.704 202 H VAL 25 H VAL 25 8.167 3.063 12.742 203 HA VAL 25 HA VAL 25 9.380 0.527 12.158 204 HB VAL 25 HB VAL 25 9.755 3.165 10.734 205 HG11 VAL 25 1HG1 VAL 25 11.487 1.627 10.135 206 HG12 VAL 25 2HG1 VAL 25 10.323 0.318 9.923 207 HG13 VAL 25 3HG1 VAL 25 10.328 1.685 8.808 208 HG21 VAL 25 3HG2 VAL 25 8.098 1.513 9.222 209 HG22 VAL 25 1HG2 VAL 25 7.490 1.380 10.872 210 HG23 VAL 25 2HG2 VAL 25 7.627 2.964 10.108 211 H ASP 26 H ASP 26 11.452 -0.093 12.404 212 HA ASP 26 HA ASP 26 13.254 1.783 13.766 213 HB2 ASP 26 2HB ASP 26 12.569 -0.610 14.653 214 HB3 ASP 26 3HB ASP 26 13.841 -1.140 13.556 215 H GLU 27 H GLU 27 15.660 1.262 13.303 216 HA GLU 27 HA GLU 27 15.996 1.439 10.410 217 HB2 GLU 27 2HB GLU 27 17.758 2.119 12.753 218 HB3 GLU 27 3HB GLU 27 18.396 2.044 11.117 219 HG2 GLU 27 2HG GLU 27 16.842 3.769 10.407 220 HG3 GLU 27 3HG GLU 27 16.144 3.822 12.025 221 H VAL 28 H VAL 28 18.174 0.469 9.616 222 HA VAL 28 HA VAL 28 17.971 -2.323 9.739 223 HB VAL 28 HB VAL 28 20.264 -2.298 8.657 224 HG11 VAL 28 1HG1 VAL 28 18.122 -2.299 7.411 225 HG12 VAL 28 2HG1 VAL 28 18.180 -0.536 7.374 226 HG13 VAL 28 3HG1 VAL 28 19.425 -1.478 6.553 227 HG21 VAL 28 3HG2 VAL 28 20.002 0.610 8.209 228 HG22 VAL 28 1HG2 VAL 28 20.576 0.109 9.800 229 HG23 VAL 28 2HG2 VAL 28 21.446 -0.392 8.349 230 HA PRO 29 HA PRO 29 20.252 -3.528 13.292 231 HB2 PRO 29 2HB PRO 29 21.396 -5.835 12.431 232 HB3 PRO 29 3HB PRO 29 19.670 -5.693 12.786 233 HG2 PRO 29 2HG PRO 29 21.076 -5.591 10.145 234 HG3 PRO 29 3HG PRO 29 19.572 -6.424 10.580 235 HD2 PRO 29 2HD PRO 29 19.599 -4.049 9.280 236 HD3 PRO 29 3HD PRO 29 18.313 -4.500 10.417 237 H ASP 30 H ASP 30 22.507 -4.349 13.951 238 HA ASP 30 HA ASP 30 24.422 -2.446 13.199 239 HB2 ASP 30 2HB ASP 30 24.268 -3.913 15.336 240 HB3 ASP 30 3HB ASP 30 25.178 -5.095 14.399 241 H GLY 31 H GLY 31 23.512 -5.408 11.739 242 HA2 GLY 31 2HA GLY 31 24.324 -5.568 9.382 243 HA3 GLY 31 3HA GLY 31 25.932 -5.319 10.044 244 H ALA 32 H ALA 32 24.897 -7.069 12.393 245 HA ALA 32 HA ALA 32 25.107 -9.671 11.039 246 HB1 ALA 32 1HB ALA 32 26.692 -10.470 12.660 247 HB2 ALA 32 2HB ALA 32 27.318 -8.991 11.932 248 HB3 ALA 32 3HB ALA 32 26.613 -8.948 13.548 249 H VAL 33 H VAL 33 22.872 -8.130 12.270 250 HA VAL 33 HA VAL 33 22.191 -9.809 14.570 251 HB VAL 33 HB VAL 33 20.498 -7.566 13.500 252 HG11 VAL 33 1HG1 VAL 33 19.221 -8.013 15.259 253 HG12 VAL 33 2HG1 VAL 33 20.257 -9.394 15.628 254 HG13 VAL 33 3HG1 VAL 33 20.595 -7.819 16.347 255 HG21 VAL 33 3HG2 VAL 33 22.851 -7.351 15.375 256 HG22 VAL 33 1HG2 VAL 33 22.686 -6.603 13.786 257 HG23 VAL 33 2HG2 VAL 33 21.655 -6.081 15.118 258 H LYS 34 H LYS 34 22.100 -10.380 11.492 259 HA LYS 34 HA LYS 34 20.868 -11.709 10.116 260 HB2 LYS 34 2HB LYS 34 19.135 -12.337 12.504 261 HB3 LYS 34 3HB LYS 34 19.404 -13.330 11.077 262 HG2 LYS 34 2HG LYS 34 21.825 -13.469 11.789 263 HG3 LYS 34 3HG LYS 34 21.316 -12.753 13.321 264 HD2 LYS 34 2HD LYS 34 19.921 -14.598 13.825 265 HD3 LYS 34 3HD LYS 34 20.041 -15.230 12.181 266 HE2 LYS 34 2HE LYS 34 22.449 -14.945 13.953 267 HE3 LYS 34 3HE LYS 34 21.424 -16.378 14.003 268 HZ1 LYS 34 3HZ LYS 34 21.860 -16.741 11.663 269 HZ2 LYS 34 1HZ LYS 34 23.317 -16.667 12.520 270 HZ3 LYS 34 2HZ LYS 34 22.814 -15.347 11.590 271 HA PRO 35 HA PRO 35 17.706 -8.327 9.799 272 HB2 PRO 35 2HB PRO 35 18.381 -7.619 7.266 273 HB3 PRO 35 3HB PRO 35 19.183 -6.956 8.695 274 HG2 PRO 35 2HG PRO 35 20.073 -9.160 6.875 275 HG3 PRO 35 3HG PRO 35 21.020 -7.831 7.568 276 HD2 PRO 35 2HD PRO 35 21.066 -10.339 8.588 277 HD3 PRO 35 3HD PRO 35 21.258 -8.893 9.600 278 HA PRO 36 HA PRO 36 14.735 -10.611 7.499 279 HB2 PRO 36 2HB PRO 36 13.328 -8.664 6.235 280 HB3 PRO 36 3HB PRO 36 13.218 -8.953 7.975 281 HG2 PRO 36 2HG PRO 36 14.807 -6.893 6.493 282 HG3 PRO 36 3HG PRO 36 13.849 -6.714 7.974 283 HD2 PRO 36 2HD PRO 36 16.544 -6.969 8.005 284 HD3 PRO 36 3HD PRO 36 15.512 -7.594 9.306 285 H THR 37 H THR 37 13.759 -10.877 5.254 286 HA THR 37 HA THR 37 15.873 -10.481 3.240 287 HB THR 37 HB THR 37 15.627 -12.815 3.582 288 HG1 THR 37 HG1 THR 37 15.604 -13.002 1.481 289 HG21 THR 37 3HG2 THR 37 13.480 -12.749 4.781 290 HG22 THR 37 1HG2 THR 37 13.485 -13.979 3.518 291 HG23 THR 37 2HG2 THR 37 12.646 -12.450 3.256 292 H ASN 38 H ASN 38 12.422 -10.304 3.879 293 HA ASN 38 HA ASN 38 12.129 -8.519 1.589 294 HB2 ASN 38 2HB ASN 38 11.520 -10.850 0.853 295 HB3 ASN 38 3HB ASN 38 10.216 -10.816 2.036 296 HD21 ASN 38 1HD2 ASN 38 11.479 -9.276 -0.855 297 HD22 ASN 38 2HD2 ASN 38 9.965 -8.656 -1.411 298 H LYS 39 H LYS 39 12.136 -8.276 4.535 299 HA LYS 39 HA LYS 39 9.610 -6.825 4.769 300 HB2 LYS 39 2HB LYS 39 10.596 -8.626 6.982 301 HB3 LYS 39 3HB LYS 39 9.082 -7.732 6.925 302 HG2 LYS 39 2HG LYS 39 8.303 -9.139 5.098 303 HG3 LYS 39 3HG LYS 39 9.833 -10.020 5.114 304 HD2 LYS 39 2HD LYS 39 9.224 -10.386 7.645 305 HD3 LYS 39 3HD LYS 39 7.583 -10.073 7.073 306 HE2 LYS 39 2HE LYS 39 7.872 -12.414 6.969 307 HE3 LYS 39 3HE LYS 39 8.005 -11.837 5.308 308 HZ1 LYS 39 3HZ LYS 39 10.480 -12.039 6.836 309 HZ2 LYS 39 1HZ LYS 39 10.186 -12.364 5.202 310 HZ3 LYS 39 2HZ LYS 39 9.748 -13.495 6.381 311 H LEU 40 H LEU 40 9.665 -5.603 7.009 312 HA LEU 40 HA LEU 40 12.382 -4.555 7.432 313 HB2 LEU 40 2HB LEU 40 11.046 -2.343 7.893 314 HB3 LEU 40 3HB LEU 40 11.539 -2.792 6.262 315 HG LEU 40 HG LEU 40 8.830 -3.604 7.196 316 HD11 LEU 40 1HD1 LEU 40 8.403 -1.179 5.969 317 HD12 LEU 40 2HD1 LEU 40 9.763 -0.854 7.043 318 HD13 LEU 40 3HD1 LEU 40 8.261 -1.508 7.696 319 HD21 LEU 40 3HD2 LEU 40 8.529 -4.025 5.032 320 HD22 LEU 40 1HD2 LEU 40 10.258 -3.750 4.821 321 HD23 LEU 40 2HD2 LEU 40 9.117 -2.428 4.567 322 HA PRO 41 HA PRO 41 11.701 -4.957 11.747 323 HB2 PRO 41 2HB PRO 41 12.955 -2.761 12.737 324 HB3 PRO 41 3HB PRO 41 13.827 -4.142 12.060 325 HG2 PRO 41 2HG PRO 41 13.150 -1.519 10.785 326 HG3 PRO 41 3HG PRO 41 14.666 -2.436 10.721 327 HD2 PRO 41 2HD PRO 41 12.859 -2.466 8.705 328 HD3 PRO 41 3HD PRO 41 13.879 -3.866 9.094 329 H ILE 42 H ILE 42 9.824 -4.695 12.766 330 HA ILE 42 HA ILE 42 8.618 -2.005 12.827 331 HB ILE 42 HB ILE 42 7.088 -4.604 12.911 332 HG12 ILE 42 2HG1 ILE 42 8.133 -4.374 10.723 333 HG13 ILE 42 3HG1 ILE 42 6.404 -4.068 10.593 334 HG21 ILE 42 1HG2 ILE 42 5.569 -2.358 12.042 335 HG22 ILE 42 2HG2 ILE 42 5.348 -3.353 13.481 336 HG23 ILE 42 3HG2 ILE 42 6.395 -1.936 13.542 337 HD11 ILE 42 3HD1 ILE 42 6.896 -2.184 9.551 338 HD12 ILE 42 1HD1 ILE 42 7.566 -1.577 11.065 339 HD13 ILE 42 2HD1 ILE 42 8.614 -2.382 9.897 340 H PHE 43 H PHE 43 8.943 -1.209 14.801 341 HA PHE 43 HA PHE 43 9.050 -2.945 17.118 342 HB2 PHE 43 2HB PHE 43 10.629 -1.051 16.866 343 HB3 PHE 43 3HB PHE 43 9.272 0.067 16.953 344 HD1 PHE 43 HD2 PHE 43 10.379 -2.906 18.924 345 HD2 PHE 43 HD1 PHE 43 9.171 1.176 18.949 346 HE1 PHE 43 HE2 PHE 43 10.575 -2.866 21.376 347 HE2 PHE 43 HE1 PHE 43 9.366 1.222 21.401 348 HZ PHE 43 HZ PHE 43 10.068 -0.800 22.618 349 H PHE 44 H PHE 44 7.160 -3.644 17.885 350 HA PHE 44 HA PHE 44 4.727 -2.168 17.627 351 HB2 PHE 44 2HB PHE 44 5.527 -4.755 18.896 352 HB3 PHE 44 3HB PHE 44 3.982 -4.036 19.337 353 HD1 PHE 44 HD1 PHE 44 2.887 -2.976 16.950 354 HD2 PHE 44 HD2 PHE 44 5.211 -6.506 17.456 355 HE1 PHE 44 HE1 PHE 44 1.862 -3.936 14.929 356 HE2 PHE 44 HE2 PHE 44 4.191 -7.471 15.435 357 HZ PHE 44 HZ PHE 44 2.515 -6.186 14.169 358 H PHE 45 H PHE 45 4.244 -0.450 18.809 359 HA PHE 45 HA PHE 45 5.534 0.076 21.324 360 HB2 PHE 45 2HB PHE 45 3.787 1.541 19.455 361 HB3 PHE 45 3HB PHE 45 3.574 1.963 21.151 362 HD1 PHE 45 HD2 PHE 45 6.250 1.786 22.236 363 HD2 PHE 45 HD1 PHE 45 4.949 3.262 18.462 364 HE1 PHE 45 HE2 PHE 45 8.234 3.236 22.124 365 HE2 PHE 45 HE1 PHE 45 6.932 4.715 18.343 366 HZ PHE 45 HZ PHE 45 8.577 4.704 20.176 367 H GLY 46 H GLY 46 4.548 0.261 23.358 368 HA2 GLY 46 2HA GLY 46 2.798 0.024 24.913 369 HA3 GLY 46 3HA GLY 46 1.797 -0.673 23.648 370 H THR 47 H THR 47 3.693 -2.629 22.770 371 HA THR 47 HA THR 47 3.566 -4.463 25.070 372 HB THR 47 HB THR 47 3.431 -6.302 23.503 373 HG1 THR 47 HG1 THR 47 3.109 -5.473 21.169 374 HG21 THR 47 3HG2 THR 47 1.318 -5.273 24.076 375 HG22 THR 47 1HG2 THR 47 1.284 -5.764 22.383 376 HG23 THR 47 2HG2 THR 47 1.523 -4.068 22.805 377 H HIS 48 H HIS 48 5.698 -2.697 23.220 378 HA HIS 48 HA HIS 48 7.956 -2.703 22.938 379 HB2 HIS 48 2HB HIS 48 7.637 -4.332 25.444 380 HB3 HIS 48 3HB HIS 48 9.231 -4.044 24.753 381 HD1 HIS 48 HD1 HIS 48 8.284 -1.024 23.879 382 HD2 HIS 48 HD2 HIS 48 8.322 -2.730 27.667 383 HE1 HIS 48 HE1 HIS 48 8.386 0.908 25.486 384 H GLU 49 H GLU 49 6.391 -4.652 21.477 385 HA GLU 49 HA GLU 49 8.230 -6.928 21.284 386 HB2 GLU 49 2HB GLU 49 5.552 -6.578 19.930 387 HB3 GLU 49 3HB GLU 49 6.498 -8.056 20.040 388 HG2 GLU 49 2HG GLU 49 6.079 -8.268 22.353 389 HG3 GLU 49 3HG GLU 49 5.430 -6.633 22.457 390 H THR 50 H THR 50 8.358 -7.767 18.892 391 HA THR 50 HA THR 50 8.592 -5.611 16.954 392 HB THR 50 HB THR 50 10.767 -5.405 17.832 393 HG1 THR 50 HG1 THR 50 11.169 -7.301 15.758 394 HG21 THR 50 3HG2 THR 50 11.427 -7.057 19.202 395 HG22 THR 50 1HG2 THR 50 12.080 -7.813 17.749 396 HG23 THR 50 2HG2 THR 50 10.483 -8.272 18.340 397 H ALA 51 H ALA 51 7.874 -6.314 15.057 398 HA ALA 51 HA ALA 51 8.195 -9.162 14.386 399 HB1 ALA 51 1HB ALA 51 5.867 -8.595 15.140 400 HB2 ALA 51 2HB ALA 51 5.735 -7.562 13.716 401 HB3 ALA 51 3HB ALA 51 5.985 -9.297 13.526 402 H PHE 52 H PHE 52 8.539 -9.647 12.221 403 HA PHE 52 HA PHE 52 9.411 -7.374 10.598 404 HB2 PHE 52 2HB PHE 52 10.034 -10.313 10.569 405 HB3 PHE 52 3HB PHE 52 10.374 -9.312 9.161 406 HD1 PHE 52 HD2 PHE 52 11.512 -6.931 9.994 407 HD2 PHE 52 HD1 PHE 52 11.874 -10.746 11.847 408 HE1 PHE 52 HE2 PHE 52 13.644 -6.234 11.005 409 HE2 PHE 52 HE1 PHE 52 14.006 -10.055 12.862 410 HZ PHE 52 HZ PHE 52 14.895 -7.797 12.441 411 H LEU 53 H LEU 53 8.065 -6.603 9.124 412 HA LEU 53 HA LEU 53 6.467 -8.460 7.529 413 HB2 LEU 53 2HB LEU 53 5.237 -5.960 8.648 414 HB3 LEU 53 3HB LEU 53 4.437 -7.304 7.836 415 HG LEU 53 HG LEU 53 5.767 -7.620 10.514 416 HD11 LEU 53 1HD1 LEU 53 2.843 -7.365 10.436 417 HD12 LEU 53 2HD1 LEU 53 3.735 -5.871 10.151 418 HD13 LEU 53 3HD1 LEU 53 4.006 -6.790 11.631 419 HD21 LEU 53 3HD2 LEU 53 5.090 -9.728 10.359 420 HD22 LEU 53 1HD2 LEU 53 4.618 -9.407 8.691 421 HD23 LEU 53 2HD2 LEU 53 3.440 -9.224 9.991 422 H GLY 54 H GLY 54 6.096 -7.798 5.436 423 HA2 GLY 54 2HA GLY 54 7.891 -5.897 4.347 424 HA3 GLY 54 3HA GLY 54 6.588 -6.698 3.481 425 HA PRO 55 HA PRO 55 5.687 -2.118 4.005 426 HB2 PRO 55 2HB PRO 55 5.540 -1.542 1.356 427 HB3 PRO 55 3HB PRO 55 7.049 -1.464 2.274 428 HG2 PRO 55 2HG PRO 55 6.032 -3.636 0.481 429 HG3 PRO 55 3HG PRO 55 7.667 -2.960 0.604 430 HD2 PRO 55 2HD PRO 55 6.969 -5.303 1.767 431 HD3 PRO 55 3HD PRO 55 8.181 -4.213 2.469 432 H LYS 56 H LYS 56 4.446 -4.393 1.564 433 HA LYS 56 HA LYS 56 1.909 -3.201 1.286 434 HB2 LYS 56 2HB LYS 56 2.989 -5.944 0.702 435 HB3 LYS 56 3HB LYS 56 1.282 -5.584 0.482 436 HG2 LYS 56 2HG LYS 56 3.309 -3.799 -0.771 437 HG3 LYS 56 3HG LYS 56 2.964 -5.367 -1.504 438 HD2 LYS 56 2HD LYS 56 0.755 -3.474 -0.768 439 HD3 LYS 56 3HD LYS 56 1.619 -3.320 -2.300 440 HE2 LYS 56 2HE LYS 56 0.198 -5.802 -1.341 441 HE3 LYS 56 3HE LYS 56 -0.452 -4.645 -2.501 442 HZ1 LYS 56 3HZ LYS 56 2.109 -5.450 -3.337 443 HZ2 LYS 56 1HZ LYS 56 0.624 -5.684 -4.113 444 HZ3 LYS 56 2HZ LYS 56 1.191 -6.833 -3.010 445 H ASP 57 H ASP 57 3.262 -5.024 3.813 446 HA ASP 57 HA ASP 57 0.707 -5.985 4.818 447 HB2 ASP 57 2HB ASP 57 3.568 -6.412 5.510 448 HB3 ASP 57 3HB ASP 57 2.392 -6.583 6.811 449 H ILE 58 H ILE 58 2.986 -3.409 5.374 450 HA ILE 58 HA ILE 58 1.572 -2.555 7.786 451 HB ILE 58 HB ILE 58 3.348 -0.801 7.913 452 HG12 ILE 58 2HG1 ILE 58 4.624 -2.373 5.665 453 HG13 ILE 58 3HG1 ILE 58 3.855 -0.802 5.464 454 HG21 ILE 58 1HG2 ILE 58 5.216 -2.501 8.373 455 HG22 ILE 58 2HG2 ILE 58 3.710 -2.657 9.277 456 HG23 ILE 58 3HG2 ILE 58 4.030 -3.720 7.906 457 HD11 ILE 58 3HD1 ILE 58 6.308 -1.435 7.082 458 HD12 ILE 58 1HD1 ILE 58 6.213 -0.486 5.599 459 HD13 ILE 58 2HD1 ILE 58 5.490 0.128 7.087 460 H PHE 59 H PHE 59 0.313 -0.771 7.903 461 HA PHE 59 HA PHE 59 -0.034 0.791 5.428 462 HB2 PHE 59 2HB PHE 59 -2.002 -0.492 7.221 463 HB3 PHE 59 3HB PHE 59 -2.405 1.141 6.699 464 HD1 PHE 59 HD1 PHE 59 -1.235 -2.113 5.308 465 HD2 PHE 59 HD2 PHE 59 -3.531 1.422 4.714 466 HE1 PHE 59 HE1 PHE 59 -2.050 -3.007 3.165 467 HE2 PHE 59 HE2 PHE 59 -4.350 0.533 2.571 468 HZ PHE 59 HZ PHE 59 -3.610 -1.684 1.794 469 HA PRO 60 HA PRO 60 0.706 4.504 7.642 470 HB2 PRO 60 2HB PRO 60 -1.135 6.203 6.596 471 HB3 PRO 60 3HB PRO 60 0.280 5.647 5.694 472 HG2 PRO 60 2HG PRO 60 -2.545 4.663 5.582 473 HG3 PRO 60 3HG PRO 60 -1.413 4.968 4.252 474 HD2 PRO 60 2HD PRO 60 -1.900 2.483 5.209 475 HD3 PRO 60 3HD PRO 60 -0.321 2.961 4.554 476 H TYR 61 H TYR 61 0.231 5.182 9.635 477 HA TYR 61 HA TYR 61 -2.058 4.298 11.023 478 HB2 TYR 61 2HB TYR 61 -1.026 5.112 12.874 479 HB3 TYR 61 3HB TYR 61 0.359 5.224 11.794 480 HD1 TYR 61 HD2 TYR 61 0.741 7.464 10.598 481 HD2 TYR 61 HD1 TYR 61 -1.843 7.019 13.948 482 HE1 TYR 61 HE2 TYR 61 0.878 9.884 11.018 483 HE2 TYR 61 HE1 TYR 61 -1.714 9.438 14.377 484 HH TYR 61 HH TYR 61 -0.819 11.631 12.277 485 H SER 62 H SER 62 -1.592 6.913 8.919 486 HA SER 62 HA SER 62 -3.399 8.788 10.038 487 HB2 SER 62 2HB SER 62 -2.986 10.061 8.173 488 HB3 SER 62 3HB SER 62 -1.602 8.972 8.073 489 HG SER 62 HG SER 62 -3.993 8.949 6.586 490 H GLU 63 H GLU 63 -3.849 5.835 8.382 491 HA GLU 63 HA GLU 63 -6.585 6.504 7.597 492 HB2 GLU 63 2HB GLU 63 -4.778 4.167 7.019 493 HB3 GLU 63 3HB GLU 63 -6.500 4.107 6.672 494 HG2 GLU 63 2HG GLU 63 -4.666 6.229 5.594 495 HG3 GLU 63 3HG GLU 63 -5.031 4.729 4.745 496 H ASN 64 H ASN 64 -4.782 4.492 9.836 497 HA ASN 64 HA ASN 64 -7.123 3.118 10.803 498 HB2 ASN 64 2HB ASN 64 -4.305 3.233 11.902 499 HB3 ASN 64 3HB ASN 64 -5.575 2.158 12.478 500 HD21 ASN 64 1HD2 ASN 64 -6.297 0.479 11.129 501 HD22 ASN 64 2HD2 ASN 64 -5.324 -0.106 9.827 502 H LYS 65 H LYS 65 -5.023 5.734 11.923 503 HA LYS 65 HA LYS 65 -6.090 6.100 14.467 504 HB2 LYS 65 2HB LYS 65 -5.043 8.215 14.475 505 HB3 LYS 65 3HB LYS 65 -4.043 7.210 13.434 506 HG2 LYS 65 2HG LYS 65 -4.983 8.217 11.467 507 HG3 LYS 65 3HG LYS 65 -6.141 9.127 12.441 508 HD2 LYS 65 2HD LYS 65 -3.653 9.756 13.522 509 HD3 LYS 65 3HD LYS 65 -3.395 9.749 11.776 510 HE2 LYS 65 2HE LYS 65 -4.131 11.879 11.954 511 HE3 LYS 65 3HE LYS 65 -5.710 11.099 11.882 512 HZ1 LYS 65 3HZ LYS 65 -5.235 12.789 13.743 513 HZ2 LYS 65 1HZ LYS 65 -4.385 11.524 14.478 514 HZ3 LYS 65 2HZ LYS 65 -6.033 11.350 14.139 515 H GLU 66 H GLU 66 -7.412 6.850 11.367 516 HA GLU 66 HA GLU 66 -9.403 8.673 12.438 517 HB2 GLU 66 2HB GLU 66 -8.492 9.148 10.235 518 HB3 GLU 66 3HB GLU 66 -8.989 7.564 9.657 519 HG2 GLU 66 2HG GLU 66 -11.297 8.149 9.824 520 HG3 GLU 66 3HG GLU 66 -10.905 9.664 10.635 521 H LYS 67 H LYS 67 -9.040 5.327 11.879 522 HA LYS 67 HA LYS 67 -11.810 4.697 11.513 523 HB2 LYS 67 2HB LYS 67 -9.327 3.102 12.049 524 HB3 LYS 67 3HB LYS 67 -10.906 2.341 12.189 525 HG2 LYS 67 2HG LYS 67 -10.459 3.868 9.716 526 HG3 LYS 67 3HG LYS 67 -9.459 2.427 9.919 527 HD2 LYS 67 2HD LYS 67 -11.452 1.790 8.756 528 HD3 LYS 67 3HD LYS 67 -11.545 1.139 10.394 529 HE2 LYS 67 2HE LYS 67 -13.681 2.068 9.805 530 HE3 LYS 67 3HE LYS 67 -12.937 3.089 11.034 531 HZ1 LYS 67 3HZ LYS 67 -12.370 4.696 9.414 532 HZ2 LYS 67 1HZ LYS 67 -13.992 4.298 9.140 533 HZ3 LYS 67 2HZ LYS 67 -12.786 3.674 8.132 534 H TYR 68 H TYR 68 -9.573 4.001 14.207 535 HA TYR 68 HA TYR 68 -11.820 4.406 16.060 536 HB2 TYR 68 2HB TYR 68 -9.830 2.360 16.831 537 HB3 TYR 68 3HB TYR 68 -11.572 2.387 17.075 538 HD1 TYR 68 HD2 TYR 68 -13.085 1.572 15.324 539 HD2 TYR 68 HD1 TYR 68 -8.861 1.358 14.866 540 HE1 TYR 68 HE2 TYR 68 -13.372 -0.027 13.478 541 HE2 TYR 68 HE1 TYR 68 -9.136 -0.242 13.018 542 HH TYR 68 HH TYR 68 -10.676 -1.721 12.077 543 H GLY 69 H GLY 69 -8.461 4.738 15.322 544 HA2 GLY 69 2HA GLY 69 -6.905 6.183 16.228 545 HA3 GLY 69 3HA GLY 69 -8.138 6.740 17.349 546 H LYS 70 H LYS 70 -8.451 3.699 17.968 547 HA LYS 70 HA LYS 70 -6.014 3.206 19.469 548 HB2 LYS 70 2HB LYS 70 -7.616 2.743 21.520 549 HB3 LYS 70 3HB LYS 70 -6.950 4.344 21.227 550 HG2 LYS 70 2HG LYS 70 -9.530 3.753 19.927 551 HG3 LYS 70 3HG LYS 70 -9.546 3.878 21.688 552 HD2 LYS 70 2HD LYS 70 -8.167 6.056 21.253 553 HD3 LYS 70 3HD LYS 70 -8.876 5.949 19.640 554 HE2 LYS 70 2HE LYS 70 -10.705 5.628 21.949 555 HE3 LYS 70 3HE LYS 70 -10.053 7.240 21.660 556 HZ1 LYS 70 3HZ LYS 70 -11.986 5.729 20.130 557 HZ2 LYS 70 1HZ LYS 70 -10.810 6.511 19.197 558 HZ3 LYS 70 2HZ LYS 70 -11.777 7.403 20.261 559 HA PRO 71 HA PRO 71 -6.972 -1.018 18.770 560 HB2 PRO 71 2HB PRO 71 -6.091 -2.211 21.044 561 HB3 PRO 71 3HB PRO 71 -4.999 -1.547 19.822 562 HG2 PRO 71 2HG PRO 71 -5.904 -0.343 22.410 563 HG3 PRO 71 3HG PRO 71 -4.282 -0.365 21.692 564 HD2 PRO 71 2HD PRO 71 -5.908 1.796 21.553 565 HD3 PRO 71 3HD PRO 71 -4.751 1.388 20.270 566 H ASN 72 H ASN 72 -8.575 -2.513 19.061 567 HA ASN 72 HA ASN 72 -10.629 -1.835 21.032 568 HB2 ASN 72 2HB ASN 72 -11.048 -2.187 18.484 569 HB3 ASN 72 3HB ASN 72 -10.963 -3.901 18.878 570 HD21 ASN 72 1HD2 ASN 72 -13.214 -3.605 17.962 571 HD22 ASN 72 2HD2 ASN 72 -14.472 -3.291 19.105 572 H LYS 73 H LYS 73 -9.118 -4.785 19.709 573 HA LYS 73 HA LYS 73 -9.464 -6.027 22.360 574 HB2 LYS 73 2HB LYS 73 -10.760 -6.906 20.233 575 HB3 LYS 73 3HB LYS 73 -9.223 -7.687 19.887 576 HG2 LYS 73 2HG LYS 73 -9.304 -8.928 21.913 577 HG3 LYS 73 3HG LYS 73 -10.685 -7.997 22.496 578 HD2 LYS 73 2HD LYS 73 -11.630 -9.997 21.741 579 HD3 LYS 73 3HD LYS 73 -11.902 -8.869 20.410 580 HE2 LYS 73 2HE LYS 73 -9.633 -9.793 19.529 581 HE3 LYS 73 3HE LYS 73 -9.971 -11.145 20.609 582 HZ1 LYS 73 3HZ LYS 73 -12.203 -10.391 18.954 583 HZ2 LYS 73 1HZ LYS 73 -11.547 -11.921 19.255 584 HZ3 LYS 73 2HZ LYS 73 -10.862 -10.925 18.072 585 H ARG 74 H ARG 74 -7.203 -4.460 21.451 586 HA ARG 74 HA ARG 74 -5.126 -6.550 21.400 587 HB2 ARG 74 2HB ARG 74 -5.172 -3.792 20.192 588 HB3 ARG 74 3HB ARG 74 -3.668 -4.662 20.461 589 HG2 ARG 74 2HG ARG 74 -5.956 -5.729 18.824 590 HG3 ARG 74 3HG ARG 74 -4.579 -4.851 18.154 591 HD2 ARG 74 2HD ARG 74 -3.514 -6.858 19.810 592 HD3 ARG 74 3HD ARG 74 -4.797 -7.620 18.871 593 HE ARG 74 HE ARG 74 -3.535 -7.349 16.969 594 HH11 ARG 74 1HH1 ARG 74 -2.151 -5.495 19.571 595 HH12 ARG 74 2HH1 ARG 74 -0.694 -5.128 18.708 596 HH21 ARG 74 1HH2 ARG 74 -1.621 -6.873 15.823 597 HH22 ARG 74 2HH2 ARG 74 -0.394 -5.912 16.576 598 H LYS 75 H LYS 75 -3.915 -6.705 23.162 599 HA LYS 75 HA LYS 75 -4.249 -5.087 25.422 600 HB2 LYS 75 2HB LYS 75 -3.406 -7.391 25.524 601 HB3 LYS 75 3HB LYS 75 -1.927 -6.890 24.715 602 HG2 LYS 75 2HG LYS 75 -1.503 -7.101 27.062 603 HG3 LYS 75 3HG LYS 75 -1.439 -5.393 26.622 604 HD2 LYS 75 2HD LYS 75 -3.815 -5.196 27.391 605 HD3 LYS 75 3HD LYS 75 -3.691 -6.848 28.001 606 HE2 LYS 75 2HE LYS 75 -1.953 -6.217 29.527 607 HE3 LYS 75 3HE LYS 75 -1.851 -4.606 28.820 608 HZ1 LYS 75 3HZ LYS 75 -4.336 -4.496 29.510 609 HZ2 LYS 75 1HZ LYS 75 -3.131 -4.230 30.668 610 HZ3 LYS 75 2HZ LYS 75 -3.911 -5.728 30.589 611 H GLY 76 H GLY 76 -2.969 -3.490 26.364 612 HA2 GLY 76 2HA GLY 76 -0.983 -2.122 26.401 613 HA3 GLY 76 3HA GLY 76 -0.849 -2.350 24.664 614 H PHE 77 H PHE 77 -4.040 -1.886 25.243 615 HA PHE 77 HA PHE 77 -4.229 0.555 23.956 616 HB2 PHE 77 2HB PHE 77 -6.536 0.640 24.731 617 HB3 PHE 77 3HB PHE 77 -6.119 -1.008 24.272 618 HD1 PHE 77 HD2 PHE 77 -6.907 1.235 27.049 619 HD2 PHE 77 HD1 PHE 77 -5.955 -2.757 25.923 620 HE1 PHE 77 HE2 PHE 77 -7.637 0.441 29.260 621 HE2 PHE 77 HE1 PHE 77 -6.684 -3.558 28.132 622 HZ PHE 77 HZ PHE 77 -7.526 -1.958 29.805 623 H ASN 78 H ASN 78 -4.092 2.642 24.541 624 HA ASN 78 HA ASN 78 -3.749 4.509 25.797 625 HB2 ASN 78 2HB ASN 78 -5.485 2.876 27.381 626 HB3 ASN 78 3HB ASN 78 -4.328 3.667 28.447 627 HD21 ASN 78 1HD2 ASN 78 -3.926 6.065 27.430 628 HD22 ASN 78 2HD2 ASN 78 -5.394 6.970 27.321 629 H GLU 79 H GLU 79 -1.786 2.194 25.592 630 HA GLU 79 HA GLU 79 -0.013 3.070 27.776 631 HB2 GLU 79 2HB GLU 79 0.144 0.361 26.469 632 HB3 GLU 79 3HB GLU 79 0.905 0.893 27.962 633 HG2 GLU 79 2HG GLU 79 -1.961 0.198 27.461 634 HG3 GLU 79 3HG GLU 79 -0.849 -0.469 28.655 635 H GLY 80 H GLY 80 0.195 4.660 25.759 636 HA2 GLY 80 2HA GLY 80 2.342 5.342 24.782 637 HA3 GLY 80 3HA GLY 80 2.522 3.686 24.220 638 H LEU 81 H LEU 81 -0.666 4.645 23.925 639 HA LEU 81 HA LEU 81 -0.504 4.685 21.068 640 HB2 LEU 81 2HB LEU 81 -2.408 3.669 22.099 641 HB3 LEU 81 3HB LEU 81 -2.777 5.146 22.988 642 HG LEU 81 HG LEU 81 -2.936 6.019 20.417 643 HD11 LEU 81 1HD1 LEU 81 -4.233 3.315 20.352 644 HD12 LEU 81 2HD1 LEU 81 -2.601 3.581 19.737 645 HD13 LEU 81 3HD1 LEU 81 -3.963 4.446 19.025 646 HD21 LEU 81 3HD2 LEU 81 -4.539 6.405 22.238 647 HD22 LEU 81 1HD2 LEU 81 -5.160 4.768 22.025 648 HD23 LEU 81 2HD2 LEU 81 -5.342 5.954 20.733 649 H TRP 82 H TRP 82 -0.817 7.085 23.593 650 HA TRP 82 HA TRP 82 -1.430 9.230 21.767 651 HB2 TRP 82 2HB TRP 82 -2.330 9.428 23.973 652 HB3 TRP 82 3HB TRP 82 -0.751 9.164 24.708 653 HD1 TRP 82 HD1 TRP 82 -2.846 11.862 22.997 654 HE1 TRP 82 HE1 TRP 82 -1.740 14.150 23.408 655 HE3 TRP 82 HE3 TRP 82 1.508 10.283 25.162 656 HZ2 TRP 82 HZ2 TRP 82 0.660 15.152 24.505 657 HZ3 TRP 82 HZ3 TRP 82 3.157 11.970 25.863 658 HH2 TRP 82 HH2 TRP 82 2.740 14.354 25.540 659 H GLU 83 H GLU 83 1.378 7.626 22.783 660 HA GLU 83 HA GLU 83 3.170 9.868 22.488 661 HB2 GLU 83 2HB GLU 83 3.497 6.942 23.031 662 HB3 GLU 83 3HB GLU 83 4.887 7.884 22.511 663 HG2 GLU 83 2HG GLU 83 4.630 9.366 24.407 664 HG3 GLU 83 3HG GLU 83 3.181 8.499 24.913 665 H ILE 84 H ILE 84 1.741 7.511 20.444 666 HA ILE 84 HA ILE 84 3.675 7.324 18.417 667 HB ILE 84 HB ILE 84 1.587 5.903 18.681 668 HG12 ILE 84 2HG1 ILE 84 2.240 7.065 15.964 669 HG13 ILE 84 3HG1 ILE 84 3.052 5.709 16.739 670 HG21 ILE 84 1HG2 ILE 84 -0.478 6.637 18.032 671 HG22 ILE 84 2HG2 ILE 84 0.189 8.137 18.674 672 HG23 ILE 84 3HG2 ILE 84 0.176 7.852 16.933 673 HD11 ILE 84 3HD1 ILE 84 1.619 4.331 15.787 674 HD12 ILE 84 1HD1 ILE 84 0.295 5.108 16.654 675 HD13 ILE 84 2HD1 ILE 84 0.769 5.694 15.060 676 H ASP 85 H ASP 85 1.454 9.837 19.248 677 HA ASP 85 HA ASP 85 2.159 11.279 16.776 678 HB2 ASP 85 2HB ASP 85 -0.324 10.703 17.357 679 HB3 ASP 85 3HB ASP 85 -0.180 12.043 18.491 680 H ASN 86 H ASN 86 3.147 11.044 19.804 681 HA ASN 86 HA ASN 86 3.761 13.913 19.997 682 HB2 ASN 86 2HB ASN 86 2.781 12.086 22.186 683 HB3 ASN 86 3HB ASN 86 3.664 13.569 22.538 684 HD21 ASN 86 1HD2 ASN 86 0.796 12.277 20.966 685 HD22 ASN 86 2HD2 ASN 86 -0.159 13.707 21.125 686 H ASN 87 H ASN 87 4.589 10.946 21.795 687 HA ASN 87 HA ASN 87 7.429 11.615 21.387 688 HB2 ASN 87 2HB ASN 87 6.425 11.600 23.766 689 HB3 ASN 87 3HB ASN 87 6.405 9.847 23.597 690 HD21 ASN 87 1HD2 ASN 87 8.532 8.901 22.855 691 HD22 ASN 87 2HD2 ASN 87 9.957 9.542 23.591 692 HA PRO 88 HA PRO 88 6.589 7.653 19.108 693 HB2 PRO 88 2HB PRO 88 7.983 8.360 16.889 694 HB3 PRO 88 3HB PRO 88 6.280 8.769 17.123 695 HG2 PRO 88 2HG PRO 88 8.710 10.464 17.547 696 HG3 PRO 88 3HG PRO 88 7.164 10.893 16.791 697 HD2 PRO 88 2HD PRO 88 7.777 11.569 19.341 698 HD3 PRO 88 3HD PRO 88 6.118 11.212 18.820 699 H LYS 89 H LYS 89 9.251 9.351 20.328 700 HA LYS 89 HA LYS 89 11.040 7.068 19.803 701 HB2 LYS 89 2HB LYS 89 12.919 8.616 20.098 702 HB3 LYS 89 3HB LYS 89 11.861 9.135 18.792 703 HG2 LYS 89 2HG LYS 89 11.362 10.253 21.493 704 HG3 LYS 89 3HG LYS 89 12.786 10.815 20.614 705 HD2 LYS 89 2HD LYS 89 11.013 11.031 18.648 706 HD3 LYS 89 3HD LYS 89 9.900 11.188 20.009 707 HE2 LYS 89 2HE LYS 89 12.412 12.799 19.974 708 HE3 LYS 89 3HE LYS 89 11.051 13.301 18.973 709 HZ1 LYS 89 3HZ LYS 89 11.363 14.028 21.513 710 HZ2 LYS 89 1HZ LYS 89 10.411 12.646 21.725 711 HZ3 LYS 89 2HZ LYS 89 9.854 13.916 20.756 712 H VAL 90 H VAL 90 9.283 6.754 21.837 713 HA VAL 90 HA VAL 90 10.485 7.603 24.333 714 HB VAL 90 HB VAL 90 8.030 7.472 24.112 715 HG11 VAL 90 1HG1 VAL 90 7.826 4.595 24.419 716 HG12 VAL 90 2HG1 VAL 90 6.953 5.680 23.336 717 HG13 VAL 90 3HG1 VAL 90 8.534 5.051 22.870 718 HG21 VAL 90 3HG2 VAL 90 8.639 5.384 26.125 719 HG22 VAL 90 1HG2 VAL 90 9.494 6.920 26.270 720 HG23 VAL 90 2HG2 VAL 90 7.730 6.887 26.288 721 H LYS 91 H LYS 91 10.696 4.938 22.200 722 HA LYS 91 HA LYS 91 11.236 2.789 23.844 723 HB2 LYS 91 2HB LYS 91 12.538 1.867 21.999 724 HB3 LYS 91 3HB LYS 91 11.075 2.634 21.396 725 HG2 LYS 91 2HG LYS 91 12.461 3.577 19.915 726 HG3 LYS 91 3HG LYS 91 12.829 4.689 21.236 727 HD2 LYS 91 2HD LYS 91 14.796 3.503 21.810 728 HD3 LYS 91 3HD LYS 91 14.349 2.129 20.797 729 HE2 LYS 91 2HE LYS 91 14.607 3.514 18.801 730 HE3 LYS 91 3HE LYS 91 15.030 4.897 19.808 731 HZ1 LYS 91 3HZ LYS 91 16.918 3.492 20.653 732 HZ2 LYS 91 1HZ LYS 91 17.045 3.994 19.043 733 HZ3 LYS 91 2HZ LYS 91 16.580 2.408 19.399 734 H PHE 92 H PHE 92 13.296 5.502 23.004 735 HA PHE 92 HA PHE 92 15.656 4.377 24.189 736 HB2 PHE 92 2HB PHE 92 15.768 6.024 22.348 737 HB3 PHE 92 3HB PHE 92 15.069 7.241 23.411 738 HD1 PHE 92 HD1 PHE 92 18.053 5.283 22.628 739 HD2 PHE 92 HD2 PHE 92 16.369 8.244 25.181 740 HE1 PHE 92 HE1 PHE 92 20.306 5.884 23.411 741 HE2 PHE 92 HE2 PHE 92 18.620 8.850 25.968 742 HZ PHE 92 HZ PHE 92 20.593 7.670 25.083 743 H SER 93 H SER 93 13.120 6.599 25.185 744 HA SER 93 HA SER 93 12.625 7.585 27.179 745 HB2 SER 93 2HB SER 93 12.530 6.139 29.004 746 HB3 SER 93 3HB SER 93 12.590 5.013 27.649 747 HG SER 93 HG SER 93 14.264 4.232 28.644 Start of MODEL 2 1 H MET 1 H MET 1 1.173 -0.658 1.395 2 HA MET 1 HA MET 1 1.903 0.379 -1.208 3 HB2 MET 1 2HB MET 1 2.999 0.852 1.564 4 HB3 MET 1 3HB MET 1 3.669 1.602 0.122 5 HG2 MET 1 2HG MET 1 1.164 2.342 -0.233 6 HG3 MET 1 3HG MET 1 1.100 2.116 1.513 7 HE1 MET 1 3HE MET 1 1.278 5.971 0.904 8 HE2 MET 1 1HE MET 1 1.211 5.161 -0.662 9 HE3 MET 1 2HE MET 1 0.230 4.570 0.679 10 H THR 2 H THR 2 4.122 0.289 -2.002 11 HA THR 2 HA THR 2 5.431 -2.258 -1.301 12 HB THR 2 HB THR 2 6.132 -2.533 -3.560 13 HG1 THR 2 HG1 THR 2 6.308 -0.893 -4.897 14 HG21 THR 2 3HG2 THR 2 3.668 -2.951 -2.941 15 HG22 THR 2 1HG2 THR 2 4.095 -2.902 -4.651 16 HG23 THR 2 2HG2 THR 2 3.330 -1.506 -3.892 17 H ARG 3 H ARG 3 5.942 1.092 -2.304 18 HA ARG 3 HA ARG 3 8.697 1.177 -2.422 19 HB2 ARG 3 2HB ARG 3 8.540 3.525 -2.120 20 HB3 ARG 3 3HB ARG 3 7.065 3.039 -2.946 21 HG2 ARG 3 2HG ARG 3 6.139 4.380 -1.383 22 HG3 ARG 3 3HG ARG 3 6.188 2.891 -0.437 23 HD2 ARG 3 2HD ARG 3 7.809 3.662 0.936 24 HD3 ARG 3 3HD ARG 3 8.625 4.546 -0.353 25 HE ARG 3 HE ARG 3 6.762 5.599 1.509 26 HH11 ARG 3 1HH1 ARG 3 7.783 5.840 -1.811 27 HH12 ARG 3 2HH1 ARG 3 7.273 7.486 -1.985 28 HH21 ARG 3 1HH2 ARG 3 6.087 7.767 1.292 29 HH22 ARG 3 2HH2 ARG 3 6.309 8.582 -0.219 30 H ASP 4 H ASP 4 10.337 1.658 -0.941 31 HA ASP 4 HA ASP 4 10.041 0.461 1.618 32 HB2 ASP 4 2HB ASP 4 12.246 1.895 0.189 33 HB3 ASP 4 3HB ASP 4 12.396 1.595 1.919 34 H PHE 5 H PHE 5 9.559 1.324 3.540 35 HA PHE 5 HA PHE 5 8.701 4.063 3.667 36 HB2 PHE 5 2HB PHE 5 8.683 1.735 5.549 37 HB3 PHE 5 3HB PHE 5 8.427 3.356 6.187 38 HD1 PHE 5 HD2 PHE 5 7.112 0.815 3.861 39 HD2 PHE 5 HD1 PHE 5 6.373 4.482 5.891 40 HE1 PHE 5 HE2 PHE 5 4.739 0.686 3.222 41 HE2 PHE 5 HE1 PHE 5 3.999 4.359 5.256 42 HZ PHE 5 HZ PHE 5 3.179 2.460 3.919 43 H LYS 6 H LYS 6 9.337 5.145 5.950 44 HA LYS 6 HA LYS 6 12.278 5.295 5.927 45 HB2 LYS 6 2HB LYS 6 12.133 7.585 6.492 46 HB3 LYS 6 3HB LYS 6 10.930 7.336 5.234 47 HG2 LYS 6 2HG LYS 6 9.171 7.246 6.918 48 HG3 LYS 6 3HG LYS 6 10.373 7.472 8.191 49 HD2 LYS 6 2HD LYS 6 10.997 9.637 7.088 50 HD3 LYS 6 3HD LYS 6 9.610 9.418 6.018 51 HE2 LYS 6 2HE LYS 6 8.860 10.822 7.756 52 HE3 LYS 6 3HE LYS 6 8.201 9.227 8.115 53 HZ1 LYS 6 3HZ LYS 6 10.422 9.054 9.486 54 HZ2 LYS 6 1HZ LYS 6 9.037 9.772 10.139 55 HZ3 LYS 6 2HZ LYS 6 10.276 10.739 9.514 56 HA PRO 7 HA PRO 7 12.484 4.010 10.120 57 HB2 PRO 7 2HB PRO 7 14.611 5.446 11.007 58 HB3 PRO 7 3HB PRO 7 14.771 4.075 9.903 59 HG2 PRO 7 2HG PRO 7 14.762 7.005 9.293 60 HG3 PRO 7 3HG PRO 7 15.810 5.731 8.645 61 HD2 PRO 7 2HD PRO 7 13.687 6.707 7.277 62 HD3 PRO 7 3HD PRO 7 14.223 5.021 7.132 63 H GLY 8 H GLY 8 10.985 4.583 11.569 64 HA2 GLY 8 2HA GLY 8 10.342 5.866 13.459 65 HA3 GLY 8 3HA GLY 8 11.146 7.260 12.753 66 H ASP 9 H ASP 9 9.216 5.482 10.579 67 HA ASP 9 HA ASP 9 7.333 7.681 10.419 68 HB2 ASP 9 2HB ASP 9 8.468 6.195 8.491 69 HB3 ASP 9 3HB ASP 9 6.986 5.270 8.721 70 H LEU 10 H LEU 10 5.230 7.639 11.005 71 HA LEU 10 HA LEU 10 4.362 5.560 12.774 72 HB2 LEU 10 2HB LEU 10 3.096 8.066 11.714 73 HB3 LEU 10 3HB LEU 10 2.193 6.923 12.707 74 HG LEU 10 HG LEU 10 3.969 7.253 14.478 75 HD11 LEU 10 1HD1 LEU 10 4.721 9.508 12.628 76 HD12 LEU 10 2HD1 LEU 10 5.742 8.171 13.155 77 HD13 LEU 10 3HD1 LEU 10 5.223 9.393 14.315 78 HD21 LEU 10 3HD2 LEU 10 1.958 8.273 14.972 79 HD22 LEU 10 1HD2 LEU 10 2.041 9.353 13.579 80 HD23 LEU 10 2HD2 LEU 10 3.071 9.642 14.982 81 H ILE 11 H ILE 11 3.604 3.679 12.082 82 HA ILE 11 HA ILE 11 1.542 3.626 10.037 83 HB ILE 11 HB ILE 11 2.634 1.821 8.758 84 HG12 ILE 11 2HG1 ILE 11 5.277 1.909 9.162 85 HG13 ILE 11 3HG1 ILE 11 4.751 2.275 10.801 86 HG21 ILE 11 1HG2 ILE 11 3.885 3.229 7.400 87 HG22 ILE 11 2HG2 ILE 11 2.825 4.345 8.259 88 HG23 ILE 11 3HG2 ILE 11 4.504 4.158 8.765 89 HD11 ILE 11 3HD1 ILE 11 4.822 -0.240 9.416 90 HD12 ILE 11 1HD1 ILE 11 4.564 0.097 11.127 91 HD13 ILE 11 2HD1 ILE 11 3.198 0.106 10.011 92 H PHE 12 H PHE 12 0.123 1.947 10.266 93 HA PHE 12 HA PHE 12 0.246 0.494 12.750 94 HB2 PHE 12 2HB PHE 12 -1.779 0.941 10.621 95 HB3 PHE 12 3HB PHE 12 -1.938 -0.529 11.577 96 HD1 PHE 12 HD2 PHE 12 -1.053 3.023 12.319 97 HD2 PHE 12 HD1 PHE 12 -3.503 -0.335 13.231 98 HE1 PHE 12 HE2 PHE 12 -2.147 4.311 14.107 99 HE2 PHE 12 HE1 PHE 12 -4.602 0.947 15.020 100 HZ PHE 12 HZ PHE 12 -3.923 3.273 15.461 101 H ALA 13 H ALA 13 1.324 -1.342 12.966 102 HA ALA 13 HA ALA 13 2.103 -2.917 10.685 103 HB1 ALA 13 1HB ALA 13 2.584 -4.205 13.221 104 HB2 ALA 13 2HB ALA 13 3.735 -3.615 12.022 105 HB3 ALA 13 3HB ALA 13 3.105 -2.520 13.252 106 H LYS 14 H LYS 14 1.084 -4.628 9.871 107 HA LYS 14 HA LYS 14 -1.171 -5.752 11.389 108 HB2 LYS 14 2HB LYS 14 -1.916 -4.844 9.312 109 HB3 LYS 14 3HB LYS 14 -0.608 -5.618 8.428 110 HG2 LYS 14 2HG LYS 14 -2.769 -6.721 8.074 111 HG3 LYS 14 3HG LYS 14 -1.579 -7.794 8.815 112 HD2 LYS 14 2HD LYS 14 -2.665 -7.820 10.841 113 HD3 LYS 14 3HD LYS 14 -3.414 -6.243 10.580 114 HE2 LYS 14 2HE LYS 14 -5.071 -8.031 10.486 115 HE3 LYS 14 3HE LYS 14 -4.916 -7.227 8.925 116 HZ1 LYS 14 3HZ LYS 14 -5.002 -9.753 8.944 117 HZ2 LYS 14 1HZ LYS 14 -3.420 -9.699 9.540 118 HZ3 LYS 14 2HZ LYS 14 -3.777 -9.032 8.027 119 H MET 15 H MET 15 -0.493 -7.488 12.492 120 HA MET 15 HA MET 15 1.507 -9.270 11.375 121 HB2 MET 15 2HB MET 15 0.232 -8.883 14.031 122 HB3 MET 15 3HB MET 15 0.813 -10.499 13.652 123 HG2 MET 15 2HG MET 15 3.030 -9.476 13.106 124 HG3 MET 15 3HG MET 15 2.408 -7.954 13.741 125 HE1 MET 15 3HE MET 15 3.517 -11.711 16.131 126 HE2 MET 15 1HE MET 15 2.362 -11.784 14.799 127 HE3 MET 15 2HE MET 15 4.035 -11.317 14.491 128 H LYS 16 H LYS 16 1.152 -11.267 10.565 129 HA LYS 16 HA LYS 16 -1.286 -11.977 9.474 130 HB2 LYS 16 2HB LYS 16 1.042 -13.738 10.256 131 HB3 LYS 16 3HB LYS 16 -0.310 -14.278 9.270 132 HG2 LYS 16 2HG LYS 16 0.274 -12.832 7.500 133 HG3 LYS 16 3HG LYS 16 1.411 -11.937 8.511 134 HD2 LYS 16 2HD LYS 16 2.766 -14.023 8.709 135 HD3 LYS 16 3HD LYS 16 1.680 -14.780 7.541 136 HE2 LYS 16 2HE LYS 16 2.254 -12.982 5.927 137 HE3 LYS 16 3HE LYS 16 3.427 -12.364 7.089 138 HZ1 LYS 16 3HZ LYS 16 4.894 -13.805 6.310 139 HZ2 LYS 16 1HZ LYS 16 3.761 -14.412 5.209 140 HZ3 LYS 16 2HZ LYS 16 3.897 -15.098 6.749 141 H GLY 17 H GLY 17 -3.129 -12.317 10.536 142 HA2 GLY 17 2HA GLY 17 -4.569 -13.680 11.803 143 HA3 GLY 17 3HA GLY 17 -3.171 -14.342 12.637 144 H TYR 18 H TYR 18 -3.371 -10.918 12.315 145 HA TYR 18 HA TYR 18 -4.625 -10.579 14.920 146 HB2 TYR 18 2HB TYR 18 -1.866 -9.466 14.395 147 HB3 TYR 18 3HB TYR 18 -2.784 -9.378 15.894 148 HD1 TYR 18 HD1 TYR 18 -0.891 -11.622 13.663 149 HD2 TYR 18 HD2 TYR 18 -2.806 -11.202 17.439 150 HE1 TYR 18 HE1 TYR 18 0.169 -13.706 14.426 151 HE2 TYR 18 HE2 TYR 18 -1.750 -13.284 18.213 152 HH TYR 18 HH TYR 18 -0.595 -15.538 16.413 153 HA PRO 19 HA PRO 19 -6.185 -6.893 13.115 154 HB2 PRO 19 2HB PRO 19 -6.515 -5.341 15.318 155 HB3 PRO 19 3HB PRO 19 -7.555 -6.722 14.951 156 HG2 PRO 19 2HG PRO 19 -5.232 -6.547 16.831 157 HG3 PRO 19 3HG PRO 19 -6.806 -7.329 17.067 158 HD2 PRO 19 2HD PRO 19 -4.574 -8.715 16.413 159 HD3 PRO 19 3HD PRO 19 -6.193 -9.205 15.876 160 H HIS 20 H HIS 20 -5.844 -4.460 13.106 161 HA HIS 20 HA HIS 20 -3.086 -3.925 12.619 162 HB2 HIS 20 2HB HIS 20 -5.291 -1.872 12.793 163 HB3 HIS 20 3HB HIS 20 -3.792 -1.772 11.874 164 HD1 HIS 20 HD1 HIS 20 -3.720 -4.102 10.127 165 HD2 HIS 20 HD2 HIS 20 -7.323 -2.262 11.072 166 HE1 HIS 20 HE1 HIS 20 -5.314 -4.766 8.298 167 H TRP 21 H TRP 21 -1.682 -2.554 13.706 168 HA TRP 21 HA TRP 21 -2.525 -1.377 16.229 169 HB2 TRP 21 2HB TRP 21 -1.864 -3.627 16.896 170 HB3 TRP 21 3HB TRP 21 -0.325 -3.447 16.059 171 HD1 TRP 21 HD1 TRP 21 1.533 -1.896 17.220 172 HE1 TRP 21 HE1 TRP 21 1.824 -1.108 19.653 173 HE3 TRP 21 HE3 TRP 21 -3.159 -2.921 18.972 174 HZ2 TRP 21 HZ2 TRP 21 0.270 -0.942 22.003 175 HZ3 TRP 21 HZ3 TRP 21 -3.675 -2.418 21.325 176 HH2 TRP 21 HH2 TRP 21 -1.995 -1.450 22.808 177 HA PRO 22 HA PRO 22 0.248 1.746 14.803 178 HB2 PRO 22 2HB PRO 22 0.422 3.178 17.104 179 HB3 PRO 22 3HB PRO 22 -1.004 3.206 16.060 180 HG2 PRO 22 2HG PRO 22 -0.528 1.654 18.576 181 HG3 PRO 22 3HG PRO 22 -1.979 2.534 18.062 182 HD2 PRO 22 2HD PRO 22 -1.749 -0.154 17.836 183 HD3 PRO 22 3HD PRO 22 -2.681 0.824 16.685 184 H ALA 23 H ALA 23 2.336 1.332 14.460 185 HA ALA 23 HA ALA 23 4.078 0.885 16.784 186 HB1 ALA 23 1HB ALA 23 3.817 -1.301 15.938 187 HB2 ALA 23 2HB ALA 23 3.983 -0.758 14.268 188 HB3 ALA 23 3HB ALA 23 5.380 -0.740 15.344 189 H ARG 24 H ARG 24 6.498 0.804 15.721 190 HA ARG 24 HA ARG 24 6.713 3.166 13.977 191 HB2 ARG 24 2HB ARG 24 7.248 3.964 16.157 192 HB3 ARG 24 3HB ARG 24 8.245 2.557 16.501 193 HG2 ARG 24 2HG ARG 24 9.113 4.096 14.170 194 HG3 ARG 24 3HG ARG 24 9.175 4.981 15.695 195 HD2 ARG 24 2HD ARG 24 10.229 2.217 15.710 196 HD3 ARG 24 3HD ARG 24 11.167 3.418 14.824 197 HE ARG 24 HE ARG 24 10.902 3.191 17.663 198 HH11 ARG 24 1HH1 ARG 24 11.451 5.417 15.043 199 HH12 ARG 24 2HH1 ARG 24 12.302 6.565 16.023 200 HH21 ARG 24 1HH2 ARG 24 12.020 4.694 18.964 201 HH22 ARG 24 2HH2 ARG 24 12.626 6.152 18.254 202 H VAL 25 H VAL 25 8.262 3.099 12.409 203 HA VAL 25 HA VAL 25 9.404 0.508 11.830 204 HB VAL 25 HB VAL 25 9.626 3.105 10.301 205 HG11 VAL 25 1HG1 VAL 25 11.274 2.025 9.239 206 HG12 VAL 25 2HG1 VAL 25 10.832 0.468 9.940 207 HG13 VAL 25 3HG1 VAL 25 9.984 1.066 8.513 208 HG21 VAL 25 3HG2 VAL 25 7.428 2.680 9.982 209 HG22 VAL 25 1HG2 VAL 25 8.049 1.536 8.792 210 HG23 VAL 25 2HG2 VAL 25 7.586 0.973 10.398 211 H ASP 26 H ASP 26 11.487 -0.092 12.014 212 HA ASP 26 HA ASP 26 13.335 1.848 13.216 213 HB2 ASP 26 2HB ASP 26 12.804 -0.329 14.405 214 HB3 ASP 26 3HB ASP 26 13.671 -1.151 13.110 215 H GLU 27 H GLU 27 15.630 1.687 12.590 216 HA GLU 27 HA GLU 27 15.854 1.603 9.706 217 HB2 GLU 27 2HB GLU 27 18.089 2.536 10.060 218 HB3 GLU 27 3HB GLU 27 16.874 3.448 10.945 219 HG2 GLU 27 2HG GLU 27 17.496 2.164 12.985 220 HG3 GLU 27 3HG GLU 27 18.815 1.444 12.065 221 H VAL 28 H VAL 28 17.929 0.632 8.782 222 HA VAL 28 HA VAL 28 17.878 -2.148 9.135 223 HB VAL 28 HB VAL 28 20.043 -2.113 7.814 224 HG11 VAL 28 1HG1 VAL 28 18.950 -1.503 5.756 225 HG12 VAL 28 2HG1 VAL 28 17.784 -2.305 6.811 226 HG13 VAL 28 3HG1 VAL 28 17.752 -0.550 6.631 227 HG21 VAL 28 3HG2 VAL 28 21.021 -0.157 7.121 228 HG22 VAL 28 1HG2 VAL 28 19.535 0.776 7.299 229 HG23 VAL 28 2HG2 VAL 28 20.466 0.318 8.726 230 HA PRO 29 HA PRO 29 20.574 -2.972 12.500 231 HB2 PRO 29 2HB PRO 29 21.738 -5.289 11.694 232 HB3 PRO 29 3HB PRO 29 20.053 -5.193 12.220 233 HG2 PRO 29 2HG PRO 29 21.171 -5.240 9.443 234 HG3 PRO 29 3HG PRO 29 19.764 -6.098 10.098 235 HD2 PRO 29 2HD PRO 29 19.535 -3.834 8.630 236 HD3 PRO 29 3HD PRO 29 18.399 -4.249 9.929 237 H ASP 30 H ASP 30 22.924 -3.645 12.971 238 HA ASP 30 HA ASP 30 24.653 -1.727 11.879 239 HB2 ASP 30 2HB ASP 30 25.205 -4.227 13.480 240 HB3 ASP 30 3HB ASP 30 26.457 -3.068 13.043 241 H GLY 31 H GLY 31 23.740 -4.824 10.742 242 HA2 GLY 31 2HA GLY 31 24.314 -5.132 8.330 243 HA3 GLY 31 3HA GLY 31 25.969 -4.773 8.800 244 H ALA 32 H ALA 32 25.251 -6.378 11.365 245 HA ALA 32 HA ALA 32 25.400 -9.069 10.197 246 HB1 ALA 32 1HB ALA 32 27.673 -7.997 10.884 247 HB2 ALA 32 2HB ALA 32 27.148 -8.392 12.522 248 HB3 ALA 32 3HB ALA 32 27.321 -9.670 11.319 249 H VAL 33 H VAL 33 23.324 -7.467 11.639 250 HA VAL 33 HA VAL 33 23.023 -9.036 14.099 251 HB VAL 33 HB VAL 33 21.200 -6.805 13.241 252 HG11 VAL 33 1HG1 VAL 33 21.598 -6.796 15.995 253 HG12 VAL 33 2HG1 VAL 33 20.185 -7.404 15.129 254 HG13 VAL 33 3HG1 VAL 33 21.497 -8.502 15.559 255 HG21 VAL 33 3HG2 VAL 33 22.622 -5.291 14.614 256 HG22 VAL 33 1HG2 VAL 33 23.838 -6.568 14.680 257 HG23 VAL 33 2HG2 VAL 33 23.399 -5.847 13.132 258 H LYS 34 H LYS 34 22.646 -10.254 11.507 259 HA LYS 34 HA LYS 34 21.183 -11.560 10.347 260 HB2 LYS 34 2HB LYS 34 20.003 -11.657 13.121 261 HB3 LYS 34 3HB LYS 34 19.387 -12.635 11.795 262 HG2 LYS 34 2HG LYS 34 22.250 -12.705 12.710 263 HG3 LYS 34 3HG LYS 34 20.998 -13.786 13.327 264 HD2 LYS 34 2HD LYS 34 21.389 -13.549 10.379 265 HD3 LYS 34 3HD LYS 34 22.532 -14.509 11.321 266 HE2 LYS 34 2HE LYS 34 19.633 -14.953 11.784 267 HE3 LYS 34 3HE LYS 34 20.324 -15.553 10.278 268 HZ1 LYS 34 3HZ LYS 34 20.499 -17.295 11.825 269 HZ2 LYS 34 1HZ LYS 34 21.089 -16.281 13.044 270 HZ3 LYS 34 2HZ LYS 34 22.058 -16.649 11.708 271 HA PRO 35 HA PRO 35 18.219 -8.045 9.716 272 HB2 PRO 35 2HB PRO 35 18.727 -7.790 7.061 273 HB3 PRO 35 3HB PRO 35 19.682 -6.974 8.304 274 HG2 PRO 35 2HG PRO 35 20.284 -9.493 6.803 275 HG3 PRO 35 3HG PRO 35 21.364 -8.145 7.205 276 HD2 PRO 35 2HD PRO 35 21.339 -10.461 8.609 277 HD3 PRO 35 3HD PRO 35 21.701 -8.893 9.359 278 HA PRO 36 HA PRO 36 14.936 -10.435 8.030 279 HB2 PRO 36 2HB PRO 36 13.550 -8.609 6.576 280 HB3 PRO 36 3HB PRO 36 13.567 -8.617 8.344 281 HG2 PRO 36 2HG PRO 36 15.150 -6.932 6.442 282 HG3 PRO 36 3HG PRO 36 14.330 -6.457 7.941 283 HD2 PRO 36 2HD PRO 36 16.998 -6.899 7.818 284 HD3 PRO 36 3HD PRO 36 16.040 -7.240 9.273 285 H THR 37 H THR 37 13.764 -10.972 5.932 286 HA THR 37 HA THR 37 15.771 -11.247 3.813 287 HB THR 37 HB THR 37 13.160 -12.736 4.152 288 HG1 THR 37 HG1 THR 37 14.354 -13.641 5.683 289 HG21 THR 37 3HG2 THR 37 13.905 -12.650 1.832 290 HG22 THR 37 1HG2 THR 37 14.107 -14.276 2.483 291 HG23 THR 37 2HG2 THR 37 15.505 -13.215 2.309 292 H ASN 38 H ASN 38 12.265 -10.651 4.116 293 HA ASN 38 HA ASN 38 12.463 -8.759 1.887 294 HB2 ASN 38 2HB ASN 38 10.798 -11.232 1.998 295 HB3 ASN 38 3HB ASN 38 10.104 -9.802 1.240 296 HD21 ASN 38 1HD2 ASN 38 12.149 -12.455 0.862 297 HD22 ASN 38 2HD2 ASN 38 12.795 -12.050 -0.688 298 H LYS 39 H LYS 39 12.076 -8.662 4.869 299 HA LYS 39 HA LYS 39 9.677 -6.966 4.824 300 HB2 LYS 39 2HB LYS 39 10.413 -8.860 7.063 301 HB3 LYS 39 3HB LYS 39 9.044 -7.757 7.051 302 HG2 LYS 39 2HG LYS 39 7.786 -9.144 5.835 303 HG3 LYS 39 3HG LYS 39 9.119 -9.562 4.756 304 HD2 LYS 39 2HD LYS 39 9.779 -11.337 6.037 305 HD3 LYS 39 3HD LYS 39 9.203 -10.607 7.537 306 HE2 LYS 39 2HE LYS 39 7.608 -12.208 7.300 307 HE3 LYS 39 3HE LYS 39 6.855 -10.940 6.335 308 HZ1 LYS 39 3HZ LYS 39 7.565 -11.958 4.350 309 HZ2 LYS 39 1HZ LYS 39 6.938 -13.210 5.299 310 HZ3 LYS 39 2HZ LYS 39 8.612 -13.014 5.157 311 H LEU 40 H LEU 40 9.622 -5.635 6.970 312 HA LEU 40 HA LEU 40 12.355 -4.691 7.538 313 HB2 LEU 40 2HB LEU 40 11.043 -2.456 7.964 314 HB3 LEU 40 3HB LEU 40 11.578 -2.913 6.348 315 HG LEU 40 HG LEU 40 8.828 -3.676 7.201 316 HD11 LEU 40 1HD1 LEU 40 9.815 -0.945 7.068 317 HD12 LEU 40 2HD1 LEU 40 8.282 -1.568 7.675 318 HD13 LEU 40 3HD1 LEU 40 8.483 -1.248 5.953 319 HD21 LEU 40 3HD2 LEU 40 10.289 -3.933 4.892 320 HD22 LEU 40 1HD2 LEU 40 9.300 -2.508 4.572 321 HD23 LEU 40 2HD2 LEU 40 8.532 -4.033 5.016 322 HA PRO 41 HA PRO 41 11.540 -5.099 11.830 323 HB2 PRO 41 2HB PRO 41 12.837 -2.948 12.862 324 HB3 PRO 41 3HB PRO 41 13.682 -4.354 12.204 325 HG2 PRO 41 2HG PRO 41 13.125 -1.707 10.922 326 HG3 PRO 41 3HG PRO 41 14.612 -2.672 10.895 327 HD2 PRO 41 2HD PRO 41 12.861 -2.638 8.831 328 HD3 PRO 41 3HD PRO 41 13.824 -4.071 9.242 329 H ILE 42 H ILE 42 9.721 -4.745 12.922 330 HA ILE 42 HA ILE 42 8.552 -2.039 12.877 331 HB ILE 42 HB ILE 42 6.960 -4.592 13.077 332 HG12 ILE 42 2HG1 ILE 42 8.037 -4.515 10.889 333 HG13 ILE 42 3HG1 ILE 42 6.315 -4.189 10.727 334 HG21 ILE 42 1HG2 ILE 42 5.488 -2.394 12.063 335 HG22 ILE 42 2HG2 ILE 42 5.275 -3.246 13.591 336 HG23 ILE 42 3HG2 ILE 42 6.348 -1.850 13.503 337 HD11 ILE 42 3HD1 ILE 42 6.782 -2.321 9.653 338 HD12 ILE 42 1HD1 ILE 42 7.628 -1.710 11.074 339 HD13 ILE 42 2HD1 ILE 42 8.507 -2.628 9.850 340 H PHE 43 H PHE 43 9.037 -1.224 14.826 341 HA PHE 43 HA PHE 43 9.121 -2.852 17.195 342 HB2 PHE 43 2HB PHE 43 10.609 -0.862 16.779 343 HB3 PHE 43 3HB PHE 43 9.199 0.164 17.022 344 HD1 PHE 43 HD2 PHE 43 10.514 -2.836 18.811 345 HD2 PHE 43 HD1 PHE 43 9.356 1.254 19.032 346 HE1 PHE 43 HE2 PHE 43 10.927 -2.853 21.236 347 HE2 PHE 43 HE1 PHE 43 9.767 1.243 21.458 348 HZ PHE 43 HZ PHE 43 10.553 -0.813 22.563 349 H PHE 44 H PHE 44 7.267 -3.573 18.023 350 HA PHE 44 HA PHE 44 4.783 -2.196 17.733 351 HB2 PHE 44 2HB PHE 44 5.711 -4.738 18.905 352 HB3 PHE 44 3HB PHE 44 4.296 -4.035 19.683 353 HD1 PHE 44 HD1 PHE 44 5.642 -5.327 16.508 354 HD2 PHE 44 HD2 PHE 44 2.179 -4.029 18.616 355 HE1 PHE 44 HE1 PHE 44 4.217 -6.234 14.719 356 HE2 PHE 44 HE2 PHE 44 0.749 -4.934 16.831 357 HZ PHE 44 HZ PHE 44 1.767 -6.039 14.879 358 H PHE 45 H PHE 45 4.250 -0.439 18.835 359 HA PHE 45 HA PHE 45 5.549 0.250 21.308 360 HB2 PHE 45 2HB PHE 45 3.725 1.572 19.396 361 HB3 PHE 45 3HB PHE 45 3.567 2.088 21.071 362 HD1 PHE 45 HD1 PHE 45 6.247 2.067 22.095 363 HD2 PHE 45 HD2 PHE 45 4.856 3.198 18.234 364 HE1 PHE 45 HE1 PHE 45 8.200 3.539 21.826 365 HE2 PHE 45 HE2 PHE 45 6.808 4.671 17.959 366 HZ PHE 45 HZ PHE 45 8.483 4.843 19.756 367 H GLY 46 H GLY 46 4.711 0.242 23.351 368 HA2 GLY 46 2HA GLY 46 3.020 0.054 24.982 369 HA3 GLY 46 3HA GLY 46 1.922 -0.537 23.743 370 H THR 47 H THR 47 3.656 -2.555 22.695 371 HA THR 47 HA THR 47 3.515 -4.479 24.918 372 HB THR 47 HB THR 47 3.261 -6.235 23.272 373 HG1 THR 47 HG1 THR 47 3.020 -5.492 20.999 374 HG21 THR 47 3HG2 THR 47 1.427 -3.962 22.514 375 HG22 THR 47 1HG2 THR 47 1.254 -4.921 23.984 376 HG23 THR 47 2HG2 THR 47 1.091 -5.690 22.405 377 H HIS 48 H HIS 48 5.704 -2.696 23.209 378 HA HIS 48 HA HIS 48 7.944 -2.826 22.801 379 HB2 HIS 48 2HB HIS 48 7.641 -4.497 25.290 380 HB3 HIS 48 3HB HIS 48 9.219 -4.169 24.580 381 HD1 HIS 48 HD1 HIS 48 8.118 -1.137 23.815 382 HD2 HIS 48 HD2 HIS 48 8.447 -2.951 27.538 383 HE1 HIS 48 HE1 HIS 48 8.250 0.750 25.472 384 H GLU 49 H GLU 49 6.269 -4.699 21.366 385 HA GLU 49 HA GLU 49 7.950 -7.085 21.159 386 HB2 GLU 49 2HB GLU 49 5.300 -6.440 19.855 387 HB3 GLU 49 3HB GLU 49 6.158 -7.968 19.714 388 HG2 GLU 49 2HG GLU 49 5.934 -8.308 22.129 389 HG3 GLU 49 3HG GLU 49 5.047 -6.790 22.251 390 H THR 50 H THR 50 8.088 -7.899 18.759 391 HA THR 50 HA THR 50 8.524 -5.767 16.841 392 HB THR 50 HB THR 50 10.668 -5.615 17.763 393 HG1 THR 50 HG1 THR 50 11.223 -5.839 15.707 394 HG21 THR 50 3HG2 THR 50 10.247 -8.442 18.400 395 HG22 THR 50 1HG2 THR 50 11.181 -7.216 19.256 396 HG23 THR 50 2HG2 THR 50 11.889 -8.064 17.881 397 H ALA 51 H ALA 51 7.858 -6.455 14.920 398 HA ALA 51 HA ALA 51 8.148 -9.304 14.249 399 HB1 ALA 51 1HB ALA 51 5.956 -9.623 14.141 400 HB2 ALA 51 2HB ALA 51 5.709 -7.991 14.765 401 HB3 ALA 51 3HB ALA 51 5.784 -8.268 13.025 402 H PHE 52 H PHE 52 8.566 -9.768 12.107 403 HA PHE 52 HA PHE 52 9.453 -7.493 10.507 404 HB2 PHE 52 2HB PHE 52 10.013 -10.443 10.439 405 HB3 PHE 52 3HB PHE 52 10.376 -9.434 9.044 406 HD1 PHE 52 HD1 PHE 52 11.471 -7.030 10.059 407 HD2 PHE 52 HD2 PHE 52 11.934 -10.986 11.559 408 HE1 PHE 52 HE1 PHE 52 13.615 -6.387 11.081 409 HE2 PHE 52 HE2 PHE 52 14.079 -10.350 12.584 410 HZ PHE 52 HZ PHE 52 14.921 -8.048 12.346 411 H LEU 53 H LEU 53 7.918 -6.630 9.264 412 HA LEU 53 HA LEU 53 6.346 -8.440 7.563 413 HB2 LEU 53 2HB LEU 53 5.200 -5.917 8.719 414 HB3 LEU 53 3HB LEU 53 4.354 -7.230 7.903 415 HG LEU 53 HG LEU 53 5.698 -7.591 10.571 416 HD11 LEU 53 1HD1 LEU 53 3.545 -5.897 10.096 417 HD12 LEU 53 2HD1 LEU 53 4.045 -6.570 11.647 418 HD13 LEU 53 3HD1 LEU 53 2.821 -7.395 10.682 419 HD21 LEU 53 3HD2 LEU 53 4.169 -9.250 8.734 420 HD22 LEU 53 1HD2 LEU 53 3.507 -9.247 10.369 421 HD23 LEU 53 2HD2 LEU 53 5.187 -9.711 10.099 422 H GLY 54 H GLY 54 6.305 -7.899 5.461 423 HA2 GLY 54 2HA GLY 54 8.018 -5.929 4.433 424 HA3 GLY 54 3HA GLY 54 6.774 -6.771 3.519 425 HA PRO 55 HA PRO 55 5.737 -2.211 3.943 426 HB2 PRO 55 2HB PRO 55 5.673 -1.679 1.282 427 HB3 PRO 55 3HB PRO 55 7.145 -1.550 2.252 428 HG2 PRO 55 2HG PRO 55 6.248 -3.772 0.458 429 HG3 PRO 55 3HG PRO 55 7.860 -3.054 0.629 430 HD2 PRO 55 2HD PRO 55 7.176 -5.397 1.803 431 HD3 PRO 55 3HD PRO 55 8.336 -4.266 2.531 432 H LYS 56 H LYS 56 4.631 -4.634 1.593 433 HA LYS 56 HA LYS 56 2.079 -3.486 1.165 434 HB2 LYS 56 2HB LYS 56 3.208 -6.240 0.711 435 HB3 LYS 56 3HB LYS 56 1.526 -5.864 0.362 436 HG2 LYS 56 2HG LYS 56 2.042 -4.560 -1.434 437 HG3 LYS 56 3HG LYS 56 3.617 -4.096 -0.785 438 HD2 LYS 56 2HD LYS 56 4.660 -5.876 -1.701 439 HD3 LYS 56 3HD LYS 56 3.300 -6.959 -1.395 440 HE2 LYS 56 2HE LYS 56 3.383 -4.876 -3.575 441 HE3 LYS 56 3HE LYS 56 3.753 -6.584 -3.807 442 HZ1 LYS 56 3HZ LYS 56 1.581 -6.699 -4.300 443 HZ2 LYS 56 1HZ LYS 56 1.190 -5.276 -3.472 444 HZ3 LYS 56 2HZ LYS 56 1.367 -6.728 -2.622 445 H ASP 57 H ASP 57 3.387 -5.125 3.811 446 HA ASP 57 HA ASP 57 0.817 -6.139 4.748 447 HB2 ASP 57 2HB ASP 57 3.656 -6.569 5.473 448 HB3 ASP 57 3HB ASP 57 2.498 -6.649 6.798 449 H ILE 58 H ILE 58 3.127 -3.590 5.395 450 HA ILE 58 HA ILE 58 1.650 -2.693 7.740 451 HB ILE 58 HB ILE 58 3.390 -0.910 7.856 452 HG12 ILE 58 2HG1 ILE 58 4.693 -2.456 5.605 453 HG13 ILE 58 3HG1 ILE 58 3.892 -0.901 5.408 454 HG21 ILE 58 1HG2 ILE 58 3.508 -3.350 8.811 455 HG22 ILE 58 2HG2 ILE 58 4.836 -3.507 7.662 456 HG23 ILE 58 3HG2 ILE 58 4.899 -2.272 8.919 457 HD11 ILE 58 3HD1 ILE 58 5.525 0.218 6.659 458 HD12 ILE 58 1HD1 ILE 58 6.177 -1.286 7.309 459 HD13 ILE 58 2HD1 ILE 58 6.414 -0.884 5.608 460 H PHE 59 H PHE 59 0.370 -0.919 7.830 461 HA PHE 59 HA PHE 59 -0.014 0.583 5.324 462 HB2 PHE 59 2HB PHE 59 -1.954 -0.678 7.167 463 HB3 PHE 59 3HB PHE 59 -2.382 0.929 6.590 464 HD1 PHE 59 HD1 PHE 59 -1.183 -2.360 5.316 465 HD2 PHE 59 HD2 PHE 59 -3.506 1.132 4.592 466 HE1 PHE 59 HE1 PHE 59 -1.992 -3.339 3.209 467 HE2 PHE 59 HE2 PHE 59 -4.319 0.159 2.484 468 HZ PHE 59 HZ PHE 59 -3.562 -2.080 1.790 469 HA PRO 60 HA PRO 60 0.679 4.358 7.445 470 HB2 PRO 60 2HB PRO 60 -1.203 6.001 6.384 471 HB3 PRO 60 3HB PRO 60 0.211 5.449 5.478 472 HG2 PRO 60 2HG PRO 60 -2.598 4.415 5.420 473 HG3 PRO 60 3HG PRO 60 -1.486 4.710 4.071 474 HD2 PRO 60 2HD PRO 60 -1.918 2.238 5.088 475 HD3 PRO 60 3HD PRO 60 -0.355 2.729 4.404 476 H TYR 61 H TYR 61 0.220 5.050 9.436 477 HA TYR 61 HA TYR 61 -2.026 4.160 10.875 478 HB2 TYR 61 2HB TYR 61 -0.978 5.039 12.682 479 HB3 TYR 61 3HB TYR 61 0.376 5.205 11.570 480 HD1 TYR 61 HD2 TYR 61 0.624 7.443 10.339 481 HD2 TYR 61 HD1 TYR 61 -1.874 6.919 13.743 482 HE1 TYR 61 HE2 TYR 61 0.646 9.872 10.722 483 HE2 TYR 61 HE1 TYR 61 -1.859 9.347 14.135 484 HH TYR 61 HH TYR 61 -1.331 11.519 12.202 485 H SER 62 H SER 62 -1.651 6.748 8.708 486 HA SER 62 HA SER 62 -3.490 8.601 9.787 487 HB2 SER 62 2HB SER 62 -1.768 8.904 7.867 488 HB3 SER 62 3HB SER 62 -3.045 8.269 6.830 489 HG SER 62 HG SER 62 -3.975 10.140 6.924 490 H GLU 63 H GLU 63 -3.914 5.570 8.280 491 HA GLU 63 HA GLU 63 -6.671 6.133 7.502 492 HB2 GLU 63 2HB GLU 63 -4.815 3.807 7.072 493 HB3 GLU 63 3HB GLU 63 -6.544 3.648 6.794 494 HG2 GLU 63 2HG GLU 63 -4.944 5.821 5.495 495 HG3 GLU 63 3HG GLU 63 -5.046 4.204 4.802 496 H ASN 64 H ASN 64 -4.823 4.259 9.837 497 HA ASN 64 HA ASN 64 -7.154 2.985 10.949 498 HB2 ASN 64 2HB ASN 64 -4.302 3.130 11.951 499 HB3 ASN 64 3HB ASN 64 -5.568 2.130 12.656 500 HD21 ASN 64 1HD2 ASN 64 -6.271 0.306 11.572 501 HD22 ASN 64 2HD2 ASN 64 -5.398 -0.376 10.245 502 H LYS 65 H LYS 65 -4.884 5.506 12.013 503 HA LYS 65 HA LYS 65 -6.018 6.071 14.485 504 HB2 LYS 65 2HB LYS 65 -4.773 8.061 14.476 505 HB3 LYS 65 3HB LYS 65 -3.846 6.965 13.459 506 HG2 LYS 65 2HG LYS 65 -3.790 8.771 12.110 507 HG3 LYS 65 3HG LYS 65 -5.340 8.118 11.572 508 HD2 LYS 65 2HD LYS 65 -6.553 9.732 12.665 509 HD3 LYS 65 3HD LYS 65 -5.309 9.990 13.890 510 HE2 LYS 65 2HE LYS 65 -5.295 11.928 12.550 511 HE3 LYS 65 3HE LYS 65 -3.893 10.988 12.040 512 HZ1 LYS 65 3HZ LYS 65 -6.473 11.333 10.635 513 HZ2 LYS 65 1HZ LYS 65 -5.405 10.080 10.243 514 HZ3 LYS 65 2HZ LYS 65 -4.916 11.691 10.076 515 H GLU 66 H GLU 66 -7.083 6.917 11.287 516 HA GLU 66 HA GLU 66 -8.977 8.896 12.227 517 HB2 GLU 66 2HB GLU 66 -7.820 9.079 10.017 518 HB3 GLU 66 3HB GLU 66 -8.726 7.674 9.475 519 HG2 GLU 66 2HG GLU 66 -10.694 8.819 9.328 520 HG3 GLU 66 3HG GLU 66 -10.235 9.987 10.566 521 H LYS 67 H LYS 67 -8.884 5.517 11.744 522 HA LYS 67 HA LYS 67 -11.688 5.134 11.279 523 HB2 LYS 67 2HB LYS 67 -9.399 3.306 11.951 524 HB3 LYS 67 3HB LYS 67 -11.055 2.714 11.947 525 HG2 LYS 67 2HG LYS 67 -10.063 4.187 9.561 526 HG3 LYS 67 3HG LYS 67 -9.533 2.523 9.819 527 HD2 LYS 67 2HD LYS 67 -12.432 3.097 10.095 528 HD3 LYS 67 3HD LYS 67 -11.748 3.125 8.468 529 HE2 LYS 67 2HE LYS 67 -10.854 0.869 8.815 530 HE3 LYS 67 3HE LYS 67 -11.550 0.845 10.435 531 HZ1 LYS 67 3HZ LYS 67 -13.311 -0.067 9.448 532 HZ2 LYS 67 1HZ LYS 67 -12.809 0.381 7.896 533 HZ3 LYS 67 2HZ LYS 67 -13.660 1.480 8.860 534 H TYR 68 H TYR 68 -9.590 4.333 14.054 535 HA TYR 68 HA TYR 68 -11.884 4.865 15.819 536 HB2 TYR 68 2HB TYR 68 -10.000 2.815 16.770 537 HB3 TYR 68 3HB TYR 68 -11.759 2.850 16.839 538 HD1 TYR 68 HD1 TYR 68 -13.088 2.062 14.905 539 HD2 TYR 68 HD2 TYR 68 -8.850 1.691 15.001 540 HE1 TYR 68 HE1 TYR 68 -13.196 0.417 13.080 541 HE2 TYR 68 HE2 TYR 68 -8.947 0.046 13.175 542 HH TYR 68 HH TYR 68 -10.375 -1.373 12.050 543 H GLY 69 H GLY 69 -8.508 5.133 15.173 544 HA2 GLY 69 2HA GLY 69 -6.961 6.582 16.094 545 HA3 GLY 69 3HA GLY 69 -8.211 7.153 17.190 546 H LYS 70 H LYS 70 -8.562 4.125 17.830 547 HA LYS 70 HA LYS 70 -6.152 3.617 19.370 548 HB2 LYS 70 2HB LYS 70 -7.737 3.203 21.417 549 HB3 LYS 70 3HB LYS 70 -7.133 4.819 21.078 550 HG2 LYS 70 2HG LYS 70 -9.196 5.500 20.151 551 HG3 LYS 70 3HG LYS 70 -9.797 3.841 20.091 552 HD2 LYS 70 2HD LYS 70 -9.341 3.988 22.703 553 HD3 LYS 70 3HD LYS 70 -9.577 5.710 22.392 554 HE2 LYS 70 2HE LYS 70 -11.541 3.793 21.248 555 HE3 LYS 70 3HE LYS 70 -11.597 4.100 22.983 556 HZ1 LYS 70 3HZ LYS 70 -11.422 6.585 21.993 557 HZ2 LYS 70 1HZ LYS 70 -12.879 5.816 22.380 558 HZ3 LYS 70 2HZ LYS 70 -12.326 5.824 20.782 559 HA PRO 71 HA PRO 71 -7.149 -0.598 18.670 560 HB2 PRO 71 2HB PRO 71 -6.267 -1.791 20.943 561 HB3 PRO 71 3HB PRO 71 -5.176 -1.140 19.715 562 HG2 PRO 71 2HG PRO 71 -6.060 0.080 22.302 563 HG3 PRO 71 3HG PRO 71 -4.441 0.043 21.578 564 HD2 PRO 71 2HD PRO 71 -6.050 2.217 21.439 565 HD3 PRO 71 3HD PRO 71 -4.902 1.794 20.152 566 H ASN 72 H ASN 72 -8.781 -2.053 18.950 567 HA ASN 72 HA ASN 72 -10.803 -1.369 20.953 568 HB2 ASN 72 2HB ASN 72 -11.269 -1.657 18.413 569 HB3 ASN 72 3HB ASN 72 -11.186 -3.383 18.755 570 HD21 ASN 72 1HD2 ASN 72 -12.871 -0.402 19.500 571 HD22 ASN 72 2HD2 ASN 72 -14.334 -1.144 20.043 572 H LYS 73 H LYS 73 -9.365 -4.324 19.562 573 HA LYS 73 HA LYS 73 -9.697 -5.603 22.197 574 HB2 LYS 73 2HB LYS 73 -11.109 -6.452 20.205 575 HB3 LYS 73 3HB LYS 73 -9.600 -7.131 19.609 576 HG2 LYS 73 2HG LYS 73 -9.935 -8.910 20.875 577 HG3 LYS 73 3HG LYS 73 -9.812 -7.891 22.311 578 HD2 LYS 73 2HD LYS 73 -12.063 -7.801 22.604 579 HD3 LYS 73 3HD LYS 73 -12.400 -7.864 20.872 580 HE2 LYS 73 2HE LYS 73 -11.202 -10.326 21.652 581 HE3 LYS 73 3HE LYS 73 -12.514 -9.965 22.774 582 HZ1 LYS 73 3HZ LYS 73 -13.232 -9.472 20.047 583 HZ2 LYS 73 1HZ LYS 73 -14.027 -10.394 21.222 584 HZ3 LYS 73 2HZ LYS 73 -12.783 -11.082 20.307 585 H ARG 74 H ARG 74 -7.418 -4.072 21.299 586 HA ARG 74 HA ARG 74 -5.388 -6.202 21.138 587 HB2 ARG 74 2HB ARG 74 -5.168 -3.327 20.225 588 HB3 ARG 74 3HB ARG 74 -3.896 -4.537 20.119 589 HG2 ARG 74 2HG ARG 74 -4.730 -4.579 17.989 590 HG3 ARG 74 3HG ARG 74 -5.672 -5.866 18.744 591 HD2 ARG 74 2HD ARG 74 -7.566 -4.791 18.307 592 HD3 ARG 74 3HD ARG 74 -6.984 -3.355 19.148 593 HE ARG 74 HE ARG 74 -5.753 -3.166 16.766 594 HH11 ARG 74 1HH1 ARG 74 -9.070 -3.737 17.655 595 HH12 ARG 74 2HH1 ARG 74 -9.717 -2.977 16.239 596 HH21 ARG 74 1HH2 ARG 74 -6.592 -2.163 14.897 597 HH22 ARG 74 2HH2 ARG 74 -8.306 -2.083 14.671 598 H LYS 75 H LYS 75 -4.379 -6.532 22.995 599 HA LYS 75 HA LYS 75 -4.584 -4.985 25.282 600 HB2 LYS 75 2HB LYS 75 -3.593 -7.408 24.814 601 HB3 LYS 75 3HB LYS 75 -2.070 -6.528 24.845 602 HG2 LYS 75 2HG LYS 75 -3.936 -5.994 27.069 603 HG3 LYS 75 3HG LYS 75 -3.200 -7.598 27.019 604 HD2 LYS 75 2HD LYS 75 -1.068 -5.958 26.502 605 HD3 LYS 75 3HD LYS 75 -2.011 -5.000 27.646 606 HE2 LYS 75 2HE LYS 75 -2.127 -7.180 29.023 607 HE3 LYS 75 3HE LYS 75 -0.785 -7.711 28.010 608 HZ1 LYS 75 3HZ LYS 75 0.383 -5.634 28.703 609 HZ2 LYS 75 1HZ LYS 75 0.128 -6.746 29.952 610 HZ3 LYS 75 2HZ LYS 75 -0.851 -5.372 29.830 611 H GLY 76 H GLY 76 -3.202 -3.520 26.327 612 HA2 GLY 76 2HA GLY 76 -1.267 -2.146 26.461 613 HA3 GLY 76 3HA GLY 76 -0.991 -2.415 24.747 614 H PHE 77 H PHE 77 -4.227 -1.798 25.252 615 HA PHE 77 HA PHE 77 -4.290 0.559 23.797 616 HB2 PHE 77 2HB PHE 77 -6.592 0.810 24.558 617 HB3 PHE 77 3HB PHE 77 -6.258 -0.881 24.197 618 HD1 PHE 77 HD1 PHE 77 -6.915 1.559 26.843 619 HD2 PHE 77 HD2 PHE 77 -6.203 -2.539 25.940 620 HE1 PHE 77 HE1 PHE 77 -7.687 0.932 29.094 621 HE2 PHE 77 HE2 PHE 77 -6.975 -3.173 28.189 622 HZ PHE 77 HZ PHE 77 -7.719 -1.436 29.769 623 H ASN 78 H ASN 78 -4.093 2.679 24.251 624 HA ASN 78 HA ASN 78 -3.670 4.604 25.389 625 HB2 ASN 78 2HB ASN 78 -5.477 3.167 27.045 626 HB3 ASN 78 3HB ASN 78 -4.253 3.875 28.095 627 HD21 ASN 78 1HD2 ASN 78 -5.648 5.046 25.063 628 HD22 ASN 78 2HD2 ASN 78 -6.266 6.521 25.715 629 H GLU 79 H GLU 79 -1.780 2.237 25.282 630 HA GLU 79 HA GLU 79 0.043 3.160 27.406 631 HB2 GLU 79 2HB GLU 79 0.093 0.389 26.226 632 HB3 GLU 79 3HB GLU 79 0.907 0.966 27.673 633 HG2 GLU 79 2HG GLU 79 -1.999 0.368 27.275 634 HG3 GLU 79 3HG GLU 79 -0.880 -0.316 28.452 635 H GLY 80 H GLY 80 0.345 4.677 25.392 636 HA2 GLY 80 2HA GLY 80 2.523 5.193 24.368 637 HA3 GLY 80 3HA GLY 80 2.554 3.531 23.799 638 H LEU 81 H LEU 81 -0.564 4.468 23.507 639 HA LEU 81 HA LEU 81 -0.422 4.647 20.671 640 HB2 LEU 81 2HB LEU 81 -2.338 3.632 21.648 641 HB3 LEU 81 3HB LEU 81 -2.662 5.054 22.638 642 HG LEU 81 HG LEU 81 -2.873 6.127 20.168 643 HD11 LEU 81 1HD1 LEU 81 -2.621 4.250 18.829 644 HD12 LEU 81 2HD1 LEU 81 -4.372 4.408 18.965 645 HD13 LEU 81 3HD1 LEU 81 -3.516 3.212 19.939 646 HD21 LEU 81 3HD2 LEU 81 -5.195 6.182 20.549 647 HD22 LEU 81 1HD2 LEU 81 -4.459 6.133 22.151 648 HD23 LEU 81 2HD2 LEU 81 -5.164 4.672 21.460 649 H TRP 82 H TRP 82 -0.805 6.983 23.268 650 HA TRP 82 HA TRP 82 -1.306 9.180 21.467 651 HB2 TRP 82 2HB TRP 82 -2.337 9.385 23.590 652 HB3 TRP 82 3HB TRP 82 -0.847 8.985 24.440 653 HD1 TRP 82 HD1 TRP 82 -2.597 11.891 22.670 654 HE1 TRP 82 HE1 TRP 82 -1.403 14.080 23.306 655 HE3 TRP 82 HE3 TRP 82 1.401 9.934 25.185 656 HZ2 TRP 82 HZ2 TRP 82 0.927 14.873 24.689 657 HZ3 TRP 82 HZ3 TRP 82 3.067 11.476 26.134 658 HH2 TRP 82 HH2 TRP 82 2.833 13.894 25.890 659 H GLU 83 H GLU 83 1.438 7.570 22.708 660 HA GLU 83 HA GLU 83 3.231 9.825 22.445 661 HB2 GLU 83 2HB GLU 83 3.578 6.926 23.152 662 HB3 GLU 83 3HB GLU 83 4.973 7.931 22.781 663 HG2 GLU 83 2HG GLU 83 4.397 9.442 24.588 664 HG3 GLU 83 3HG GLU 83 2.952 8.495 24.939 665 H ILE 84 H ILE 84 1.988 7.332 20.447 666 HA ILE 84 HA ILE 84 3.999 6.857 18.623 667 HB ILE 84 HB ILE 84 1.689 5.821 18.660 668 HG12 ILE 84 2HG1 ILE 84 2.854 6.777 16.038 669 HG13 ILE 84 3HG1 ILE 84 3.258 5.292 16.893 670 HG21 ILE 84 1HG2 ILE 84 0.903 8.078 16.847 671 HG22 ILE 84 2HG2 ILE 84 -0.119 6.850 17.593 672 HG23 ILE 84 3HG2 ILE 84 0.586 8.130 18.581 673 HD11 ILE 84 3HD1 ILE 84 0.490 5.220 16.497 674 HD12 ILE 84 1HD1 ILE 84 1.190 5.782 14.980 675 HD13 ILE 84 2HD1 ILE 84 1.725 4.257 15.687 676 H ASP 85 H ASP 85 2.075 9.722 19.056 677 HA ASP 85 HA ASP 85 3.311 10.919 16.666 678 HB2 ASP 85 2HB ASP 85 0.673 11.253 17.974 679 HB3 ASP 85 3HB ASP 85 1.417 12.718 17.339 680 H ASN 86 H ASN 86 2.850 11.229 20.116 681 HA ASN 86 HA ASN 86 4.151 13.811 20.241 682 HB2 ASN 86 2HB ASN 86 3.062 11.919 22.320 683 HB3 ASN 86 3HB ASN 86 3.983 13.354 22.762 684 HD21 ASN 86 1HD2 ASN 86 1.144 12.263 20.981 685 HD22 ASN 86 2HD2 ASN 86 0.220 13.703 21.217 686 H ASN 87 H ASN 87 4.850 10.706 21.857 687 HA ASN 87 HA ASN 87 7.715 11.348 21.627 688 HB2 ASN 87 2HB ASN 87 6.638 11.126 23.947 689 HB3 ASN 87 3HB ASN 87 6.530 9.402 23.601 690 HD21 ASN 87 1HD2 ASN 87 7.923 10.009 25.734 691 HD22 ASN 87 2HD2 ASN 87 9.624 9.874 25.463 692 HA PRO 88 HA PRO 88 6.975 7.687 18.887 693 HB2 PRO 88 2HB PRO 88 8.605 8.562 16.900 694 HB3 PRO 88 3HB PRO 88 6.904 9.028 17.023 695 HG2 PRO 88 2HG PRO 88 9.348 10.541 17.858 696 HG3 PRO 88 3HG PRO 88 7.901 11.129 17.018 697 HD2 PRO 88 2HD PRO 88 8.291 11.488 19.674 698 HD3 PRO 88 3HD PRO 88 6.676 11.275 18.965 699 H LYS 89 H LYS 89 9.573 9.104 20.531 700 HA LYS 89 HA LYS 89 11.242 6.729 20.024 701 HB2 LYS 89 2HB LYS 89 13.230 8.116 20.360 702 HB3 LYS 89 3HB LYS 89 12.263 8.714 19.017 703 HG2 LYS 89 2HG LYS 89 11.798 9.889 21.704 704 HG3 LYS 89 3HG LYS 89 13.271 10.333 20.837 705 HD2 LYS 89 2HD LYS 89 11.654 10.752 18.843 706 HD3 LYS 89 3HD LYS 89 10.412 10.823 20.096 707 HE2 LYS 89 2HE LYS 89 12.141 12.459 21.231 708 HE3 LYS 89 3HE LYS 89 12.700 12.657 19.571 709 HZ1 LYS 89 3HZ LYS 89 9.831 12.895 20.176 710 HZ2 LYS 89 1HZ LYS 89 10.724 13.599 18.923 711 HZ3 LYS 89 2HZ LYS 89 10.860 14.198 20.499 712 H VAL 90 H VAL 90 9.225 7.085 22.063 713 HA VAL 90 HA VAL 90 10.224 7.826 24.555 714 HB VAL 90 HB VAL 90 7.866 7.393 24.249 715 HG11 VAL 90 1HG1 VAL 90 7.231 5.674 22.990 716 HG12 VAL 90 2HG1 VAL 90 8.824 4.925 23.112 717 HG13 VAL 90 3HG1 VAL 90 7.605 4.615 24.349 718 HG21 VAL 90 3HG2 VAL 90 9.242 6.799 26.459 719 HG22 VAL 90 1HG2 VAL 90 7.492 6.613 26.347 720 HG23 VAL 90 2HG2 VAL 90 8.544 5.213 26.135 721 H LYS 91 H LYS 91 10.879 5.038 22.629 722 HA LYS 91 HA LYS 91 11.619 3.135 24.484 723 HB2 LYS 91 2HB LYS 91 13.251 2.348 22.733 724 HB3 LYS 91 3HB LYS 91 11.597 2.553 22.173 725 HG2 LYS 91 2HG LYS 91 12.113 4.388 20.888 726 HG3 LYS 91 3HG LYS 91 13.538 4.792 21.848 727 HD2 LYS 91 2HD LYS 91 14.197 3.930 19.673 728 HD3 LYS 91 3HD LYS 91 14.688 2.815 20.951 729 HE2 LYS 91 2HE LYS 91 12.034 2.378 19.705 730 HE3 LYS 91 3HE LYS 91 13.453 2.010 18.727 731 HZ1 LYS 91 3HZ LYS 91 14.146 0.795 20.952 732 HZ2 LYS 91 1HZ LYS 91 13.205 0.032 19.770 733 HZ3 LYS 91 2HZ LYS 91 12.468 0.697 21.140 734 H PHE 92 H PHE 92 13.281 6.053 23.544 735 HA PHE 92 HA PHE 92 15.860 5.555 24.388 736 HB2 PHE 92 2HB PHE 92 15.153 7.632 23.262 737 HB3 PHE 92 3HB PHE 92 14.309 8.131 24.723 738 HD1 PHE 92 HD2 PHE 92 17.704 7.031 23.640 739 HD2 PHE 92 HD1 PHE 92 15.385 9.566 26.152 740 HE1 PHE 92 HE2 PHE 92 19.764 8.098 24.459 741 HE2 PHE 92 HE1 PHE 92 17.441 10.638 26.974 742 HZ PHE 92 HZ PHE 92 19.634 9.904 26.129 743 H SER 93 H SER 93 16.600 4.824 26.257 744 HA SER 93 HA SER 93 15.180 5.574 28.728 745 HB2 SER 93 2HB SER 93 15.090 3.151 28.196 746 HB3 SER 93 3HB SER 93 16.852 3.099 28.231 747 HG SER 93 HG SER 93 15.371 4.057 30.433 Start of MODEL 3 1 H MET 1 H MET 1 2.088 -0.476 1.352 2 HA MET 1 HA MET 1 1.856 -0.772 -1.550 3 HB2 MET 1 2HB MET 1 3.274 1.297 -1.826 4 HB3 MET 1 3HB MET 1 1.618 1.583 -1.309 5 HG2 MET 1 2HG MET 1 2.487 1.704 1.045 6 HG3 MET 1 3HG MET 1 4.111 1.689 0.362 7 HE1 MET 1 3HE MET 1 0.693 3.179 0.194 8 HE2 MET 1 1HE MET 1 1.234 4.317 1.429 9 HE3 MET 1 2HE MET 1 0.906 4.884 -0.208 10 H THR 2 H THR 2 4.053 -0.785 -2.600 11 HA THR 2 HA THR 2 5.755 -2.587 -1.135 12 HB THR 2 HB THR 2 6.551 -1.436 -3.779 13 HG1 THR 2 HG1 THR 2 4.958 -2.426 -4.811 14 HG21 THR 2 3HG2 THR 2 7.897 -3.222 -3.869 15 HG22 THR 2 1HG2 THR 2 6.603 -4.321 -3.392 16 HG23 THR 2 2HG2 THR 2 7.523 -3.454 -2.162 17 H ARG 3 H ARG 3 5.708 0.792 -1.876 18 HA ARG 3 HA ARG 3 8.373 1.496 -1.761 19 HB2 ARG 3 2HB ARG 3 6.098 3.041 -0.507 20 HB3 ARG 3 3HB ARG 3 7.641 3.693 -1.043 21 HG2 ARG 3 2HG ARG 3 5.507 2.498 -2.800 22 HG3 ARG 3 3HG ARG 3 5.894 4.212 -2.634 23 HD2 ARG 3 2HD ARG 3 7.052 3.687 -4.546 24 HD3 ARG 3 3HD ARG 3 8.293 3.428 -3.321 25 HE ARG 3 HE ARG 3 6.959 1.012 -3.705 26 HH11 ARG 3 1HH1 ARG 3 9.008 3.190 -5.486 27 HH12 ARG 3 2HH1 ARG 3 9.689 1.945 -6.480 28 HH21 ARG 3 1HH2 ARG 3 7.848 -0.637 -5.007 29 HH22 ARG 3 2HH2 ARG 3 9.027 -0.231 -6.207 30 H ASP 4 H ASP 4 9.824 1.992 -0.140 31 HA ASP 4 HA ASP 4 9.429 0.589 2.348 32 HB2 ASP 4 2HB ASP 4 11.747 1.082 2.796 33 HB3 ASP 4 3HB ASP 4 11.601 0.580 1.114 34 H PHE 5 H PHE 5 10.221 1.731 4.409 35 HA PHE 5 HA PHE 5 9.000 4.411 4.526 36 HB2 PHE 5 2HB PHE 5 8.736 2.038 6.309 37 HB3 PHE 5 3HB PHE 5 8.722 3.631 7.059 38 HD1 PHE 5 HD1 PHE 5 6.984 5.284 6.390 39 HD2 PHE 5 HD2 PHE 5 6.869 1.221 5.127 40 HE1 PHE 5 HE1 PHE 5 4.603 5.532 5.821 41 HE2 PHE 5 HE2 PHE 5 4.488 1.462 4.556 42 HZ PHE 5 HZ PHE 5 3.352 3.620 4.902 43 H LYS 6 H LYS 6 9.712 5.432 6.798 44 HA LYS 6 HA LYS 6 12.654 5.260 6.869 45 HB2 LYS 6 2HB LYS 6 10.784 7.596 7.037 46 HB3 LYS 6 3HB LYS 6 12.358 7.685 7.817 47 HG2 LYS 6 2HG LYS 6 12.198 6.839 4.965 48 HG3 LYS 6 3HG LYS 6 12.029 8.548 5.376 49 HD2 LYS 6 2HD LYS 6 14.178 8.410 6.610 50 HD3 LYS 6 3HD LYS 6 14.353 6.745 6.053 51 HE2 LYS 6 2HE LYS 6 14.188 7.625 3.705 52 HE3 LYS 6 3HE LYS 6 14.285 9.250 4.381 53 HZ1 LYS 6 3HZ LYS 6 16.371 7.790 5.484 54 HZ2 LYS 6 1HZ LYS 6 16.475 9.048 4.357 55 HZ3 LYS 6 2HZ LYS 6 16.377 7.445 3.828 56 HA PRO 7 HA PRO 7 12.561 4.336 11.157 57 HB2 PRO 7 2HB PRO 7 14.687 5.742 12.093 58 HB3 PRO 7 3HB PRO 7 14.858 4.292 11.096 59 HG2 PRO 7 2HG PRO 7 15.023 7.172 10.296 60 HG3 PRO 7 3HG PRO 7 16.053 5.814 9.807 61 HD2 PRO 7 2HD PRO 7 14.072 6.780 8.234 62 HD3 PRO 7 3HD PRO 7 14.539 5.067 8.237 63 H GLY 8 H GLY 8 11.006 5.065 12.469 64 HA2 GLY 8 2HA GLY 8 10.360 6.526 14.245 65 HA3 GLY 8 3HA GLY 8 11.178 7.842 13.415 66 H ASP 9 H ASP 9 9.266 5.812 11.438 67 HA ASP 9 HA ASP 9 7.360 7.984 11.058 68 HB2 ASP 9 2HB ASP 9 8.372 5.757 9.439 69 HB3 ASP 9 3HB ASP 9 6.637 6.016 9.282 70 H LEU 10 H LEU 10 5.169 7.819 11.378 71 HA LEU 10 HA LEU 10 4.327 5.749 13.228 72 HB2 LEU 10 2HB LEU 10 2.799 8.108 12.139 73 HB3 LEU 10 3HB LEU 10 2.301 7.072 13.475 74 HG LEU 10 HG LEU 10 3.086 8.969 14.547 75 HD11 LEU 10 1HD1 LEU 10 5.614 7.351 14.388 76 HD12 LEU 10 2HD1 LEU 10 4.191 6.819 15.282 77 HD13 LEU 10 3HD1 LEU 10 5.012 8.311 15.739 78 HD21 LEU 10 3HD2 LEU 10 4.743 10.395 13.830 79 HD22 LEU 10 1HD2 LEU 10 4.140 9.771 12.294 80 HD23 LEU 10 2HD2 LEU 10 5.626 9.121 12.986 81 H ILE 11 H ILE 11 3.701 3.869 12.389 82 HA ILE 11 HA ILE 11 1.652 3.889 10.306 83 HB ILE 11 HB ILE 11 2.760 2.062 9.073 84 HG12 ILE 11 2HG1 ILE 11 5.378 2.075 9.593 85 HG13 ILE 11 3HG1 ILE 11 4.799 2.472 11.207 86 HG21 ILE 11 1HG2 ILE 11 2.984 4.471 8.435 87 HG22 ILE 11 2HG2 ILE 11 4.544 4.480 9.256 88 HG23 ILE 11 3HG2 ILE 11 4.289 3.433 7.860 89 HD11 ILE 11 3HD1 ILE 11 4.638 0.278 11.506 90 HD12 ILE 11 1HD1 ILE 11 3.201 0.363 10.486 91 HD13 ILE 11 2HD1 ILE 11 4.762 -0.054 9.778 92 H PHE 12 H PHE 12 0.297 2.079 10.308 93 HA PHE 12 HA PHE 12 0.219 0.668 12.840 94 HB2 PHE 12 2HB PHE 12 -1.678 1.162 10.608 95 HB3 PHE 12 3HB PHE 12 -1.906 -0.320 11.532 96 HD1 PHE 12 HD1 PHE 12 -0.986 3.189 12.418 97 HD2 PHE 12 HD2 PHE 12 -3.600 -0.109 13.055 98 HE1 PHE 12 HE1 PHE 12 -2.165 4.465 14.161 99 HE2 PHE 12 HE2 PHE 12 -4.784 1.161 14.798 100 HZ PHE 12 HZ PHE 12 -4.067 3.452 15.352 101 H ALA 13 H ALA 13 1.302 -1.163 13.087 102 HA ALA 13 HA ALA 13 2.152 -2.740 10.832 103 HB1 ALA 13 1HB ALA 13 2.607 -4.106 13.285 104 HB2 ALA 13 2HB ALA 13 3.775 -3.308 12.231 105 HB3 ALA 13 3HB ALA 13 2.982 -2.397 13.516 106 H LYS 14 H LYS 14 1.285 -4.580 10.076 107 HA LYS 14 HA LYS 14 -1.076 -5.642 11.481 108 HB2 LYS 14 2HB LYS 14 -0.604 -4.931 8.720 109 HB3 LYS 14 3HB LYS 14 -1.067 -6.623 8.849 110 HG2 LYS 14 2HG LYS 14 -2.615 -4.337 10.048 111 HG3 LYS 14 3HG LYS 14 -2.974 -5.091 8.493 112 HD2 LYS 14 2HD LYS 14 -2.724 -7.143 10.448 113 HD3 LYS 14 3HD LYS 14 -3.802 -5.899 11.086 114 HE2 LYS 14 2HE LYS 14 -4.345 -6.481 8.299 115 HE3 LYS 14 3HE LYS 14 -4.464 -7.924 9.305 116 HZ1 LYS 14 3HZ LYS 14 -6.254 -7.128 10.398 117 HZ2 LYS 14 1HZ LYS 14 -6.467 -6.236 8.976 118 HZ3 LYS 14 2HZ LYS 14 -5.744 -5.516 10.324 119 H MET 15 H MET 15 -0.440 -7.349 12.651 120 HA MET 15 HA MET 15 1.649 -9.118 11.729 121 HB2 MET 15 2HB MET 15 0.089 -8.759 14.227 122 HB3 MET 15 3HB MET 15 0.703 -10.375 13.906 123 HG2 MET 15 2HG MET 15 2.707 -8.318 13.484 124 HG3 MET 15 3HG MET 15 2.063 -8.319 15.124 125 HE1 MET 15 3HE MET 15 1.448 -11.454 15.712 126 HE2 MET 15 1HE MET 15 2.982 -11.748 16.530 127 HE3 MET 15 2HE MET 15 2.149 -10.209 16.747 128 H LYS 16 H LYS 16 1.428 -11.193 11.005 129 HA LYS 16 HA LYS 16 -0.801 -11.923 9.543 130 HB2 LYS 16 2HB LYS 16 0.167 -14.286 9.724 131 HB3 LYS 16 3HB LYS 16 1.203 -13.042 9.037 132 HG2 LYS 16 2HG LYS 16 2.440 -12.853 11.074 133 HG3 LYS 16 3HG LYS 16 1.312 -13.921 11.913 134 HD2 LYS 16 2HD LYS 16 2.667 -14.940 9.467 135 HD3 LYS 16 3HD LYS 16 3.613 -14.807 10.952 136 HE2 LYS 16 2HE LYS 16 2.800 -16.923 11.207 137 HE3 LYS 16 3HE LYS 16 1.502 -16.016 11.983 138 HZ1 LYS 16 3HZ LYS 16 0.068 -16.465 10.316 139 HZ2 LYS 16 1HZ LYS 16 1.066 -17.814 10.100 140 HZ3 LYS 16 2HZ LYS 16 1.258 -16.454 9.114 141 H GLY 17 H GLY 17 -2.802 -12.169 10.308 142 HA2 GLY 17 2HA GLY 17 -4.484 -13.409 11.367 143 HA3 GLY 17 3HA GLY 17 -3.262 -14.156 12.386 144 H TYR 18 H TYR 18 -3.303 -10.711 12.032 145 HA TYR 18 HA TYR 18 -4.815 -10.344 14.497 146 HB2 TYR 18 2HB TYR 18 -2.001 -9.276 14.209 147 HB3 TYR 18 3HB TYR 18 -3.059 -9.103 15.605 148 HD1 TYR 18 HD2 TYR 18 -1.045 -11.503 13.652 149 HD2 TYR 18 HD1 TYR 18 -3.248 -10.835 17.231 150 HE1 TYR 18 HE2 TYR 18 -0.120 -13.575 14.601 151 HE2 TYR 18 HE1 TYR 18 -2.328 -12.905 18.190 152 HH TYR 18 HH TYR 18 0.192 -14.334 17.404 153 HA PRO 19 HA PRO 19 -6.196 -6.683 12.505 154 HB2 PRO 19 2HB PRO 19 -6.772 -5.126 14.653 155 HB3 PRO 19 3HB PRO 19 -7.758 -6.514 14.181 156 HG2 PRO 19 2HG PRO 19 -5.654 -6.319 16.301 157 HG3 PRO 19 3HG PRO 19 -7.240 -7.110 16.368 158 HD2 PRO 19 2HD PRO 19 -4.942 -8.485 15.966 159 HD3 PRO 19 3HD PRO 19 -6.491 -8.986 15.258 160 H HIS 20 H HIS 20 -5.888 -4.224 12.587 161 HA HIS 20 HA HIS 20 -3.103 -3.673 12.343 162 HB2 HIS 20 2HB HIS 20 -5.188 -1.519 12.435 163 HB3 HIS 20 3HB HIS 20 -3.730 -1.612 11.452 164 HD1 HIS 20 HD1 HIS 20 -3.850 -3.071 9.293 165 HD2 HIS 20 HD2 HIS 20 -7.448 -2.708 11.339 166 HE1 HIS 20 HE1 HIS 20 -5.615 -3.879 7.696 167 H TRP 21 H TRP 21 -1.789 -2.351 13.582 168 HA TRP 21 HA TRP 21 -2.839 -1.213 16.045 169 HB2 TRP 21 2HB TRP 21 -2.283 -3.447 16.774 170 HB3 TRP 21 3HB TRP 21 -0.701 -3.350 16.005 171 HD1 TRP 21 HD1 TRP 21 1.131 -1.723 17.196 172 HE1 TRP 21 HE1 TRP 21 1.373 -1.002 19.655 173 HE3 TRP 21 HE3 TRP 21 -3.561 -2.896 18.853 174 HZ2 TRP 21 HZ2 TRP 21 -0.214 -0.939 21.988 175 HZ3 TRP 21 HZ3 TRP 21 -4.118 -2.475 21.212 176 HH2 TRP 21 HH2 TRP 21 -2.478 -1.517 22.746 177 HA PRO 22 HA PRO 22 0.089 1.901 14.956 178 HB2 PRO 22 2HB PRO 22 0.113 3.253 17.310 179 HB3 PRO 22 3HB PRO 22 -1.231 3.341 16.165 180 HG2 PRO 22 2HG PRO 22 -0.969 1.700 18.655 181 HG3 PRO 22 3HG PRO 22 -2.364 2.622 18.064 182 HD2 PRO 22 2HD PRO 22 -2.159 -0.062 17.765 183 HD3 PRO 22 3HD PRO 22 -2.987 0.971 16.582 184 H ALA 23 H ALA 23 2.191 1.465 14.756 185 HA ALA 23 HA ALA 23 3.742 0.895 17.187 186 HB1 ALA 23 1HB ALA 23 4.777 -0.959 16.336 187 HB2 ALA 23 2HB ALA 23 3.185 -1.126 15.593 188 HB3 ALA 23 3HB ALA 23 4.529 -0.466 14.661 189 H ARG 24 H ARG 24 6.241 0.784 16.234 190 HA ARG 24 HA ARG 24 6.600 3.315 14.768 191 HB2 ARG 24 2HB ARG 24 7.148 3.631 17.123 192 HB3 ARG 24 3HB ARG 24 8.238 2.252 17.076 193 HG2 ARG 24 2HG ARG 24 8.795 4.365 15.109 194 HG3 ARG 24 3HG ARG 24 9.020 4.814 16.800 195 HD2 ARG 24 2HD ARG 24 10.401 2.724 17.054 196 HD3 ARG 24 3HD ARG 24 10.325 2.552 15.301 197 HE ARG 24 HE ARG 24 11.838 4.268 15.093 198 HH11 ARG 24 1HH1 ARG 24 10.647 4.152 18.362 199 HH12 ARG 24 2HH1 ARG 24 11.804 5.292 18.963 200 HH21 ARG 24 1HH2 ARG 24 13.367 5.771 15.872 201 HH22 ARG 24 2HH2 ARG 24 13.351 6.213 17.545 202 H VAL 25 H VAL 25 8.429 3.473 13.412 203 HA VAL 25 HA VAL 25 9.388 0.868 12.464 204 HB VAL 25 HB VAL 25 9.507 3.568 11.112 205 HG11 VAL 25 1HG1 VAL 25 11.093 2.621 9.861 206 HG12 VAL 25 2HG1 VAL 25 10.794 1.024 10.550 207 HG13 VAL 25 3HG1 VAL 25 9.816 1.601 9.200 208 HG21 VAL 25 3HG2 VAL 25 7.317 1.917 11.460 209 HG22 VAL 25 1HG2 VAL 25 7.494 3.174 10.236 210 HG23 VAL 25 2HG2 VAL 25 7.903 1.502 9.849 211 H ASP 26 H ASP 26 11.515 0.332 12.398 212 HA ASP 26 HA ASP 26 13.370 2.194 13.716 213 HB2 ASP 26 2HB ASP 26 12.809 -0.392 14.371 214 HB3 ASP 26 3HB ASP 26 14.221 -0.603 13.340 215 H GLU 27 H GLU 27 15.662 2.068 12.984 216 HA GLU 27 HA GLU 27 15.766 2.412 10.133 217 HB2 GLU 27 2HB GLU 27 17.075 3.636 12.099 218 HB3 GLU 27 3HB GLU 27 18.247 2.364 11.782 219 HG2 GLU 27 2HG GLU 27 18.550 3.076 9.545 220 HG3 GLU 27 3HG GLU 27 17.165 4.163 9.634 221 H VAL 28 H VAL 28 17.583 1.428 8.856 222 HA VAL 28 HA VAL 28 17.352 -1.395 8.901 223 HB VAL 28 HB VAL 28 19.158 -1.321 7.143 224 HG11 VAL 28 1HG1 VAL 28 16.493 -0.726 6.992 225 HG12 VAL 28 2HG1 VAL 28 17.232 0.646 6.162 226 HG13 VAL 28 3HG1 VAL 28 17.557 -0.998 5.612 227 HG21 VAL 28 3HG2 VAL 28 20.051 0.695 6.380 228 HG22 VAL 28 1HG2 VAL 28 18.828 1.658 7.209 229 HG23 VAL 28 2HG2 VAL 28 20.098 0.860 8.136 230 HA PRO 29 HA PRO 29 20.637 -2.670 11.520 231 HB2 PRO 29 2HB PRO 29 21.453 -4.941 10.275 232 HB3 PRO 29 3HB PRO 29 19.928 -4.826 11.161 233 HG2 PRO 29 2HG PRO 29 20.427 -4.638 8.215 234 HG3 PRO 29 3HG PRO 29 19.139 -5.498 9.079 235 HD2 PRO 29 2HD PRO 29 18.750 -3.088 7.906 236 HD3 PRO 29 3HD PRO 29 17.890 -3.584 9.377 237 H ASP 30 H ASP 30 22.986 -3.481 11.412 238 HA ASP 30 HA ASP 30 24.559 -1.541 10.136 239 HB2 ASP 30 2HB ASP 30 25.194 -4.146 11.496 240 HB3 ASP 30 3HB ASP 30 26.463 -3.199 10.723 241 H GLY 31 H GLY 31 23.340 -4.576 9.037 242 HA2 GLY 31 2HA GLY 31 23.317 -4.724 6.543 243 HA3 GLY 31 3HA GLY 31 25.035 -4.361 6.625 244 H ALA 32 H ALA 32 25.659 -6.014 8.852 245 HA ALA 32 HA ALA 32 25.384 -8.653 7.580 246 HB1 ALA 32 1HB ALA 32 27.472 -9.265 8.575 247 HB2 ALA 32 2HB ALA 32 27.681 -7.705 7.778 248 HB3 ALA 32 3HB ALA 32 27.508 -7.783 9.532 249 H VAL 33 H VAL 33 23.565 -7.265 9.560 250 HA VAL 33 HA VAL 33 23.809 -8.900 11.944 251 HB VAL 33 HB VAL 33 21.501 -7.087 11.270 252 HG11 VAL 33 1HG1 VAL 33 22.328 -7.108 14.011 253 HG12 VAL 33 2HG1 VAL 33 20.785 -7.599 13.309 254 HG13 VAL 33 3HG1 VAL 33 22.102 -8.764 13.448 255 HG21 VAL 33 3HG2 VAL 33 23.435 -5.720 10.973 256 HG22 VAL 33 1HG2 VAL 33 22.749 -5.334 12.551 257 HG23 VAL 33 2HG2 VAL 33 24.181 -6.358 12.438 258 H LYS 34 H LYS 34 22.749 -9.523 8.939 259 HA LYS 34 HA LYS 34 21.443 -11.140 8.014 260 HB2 LYS 34 2HB LYS 34 22.489 -12.484 9.890 261 HB3 LYS 34 3HB LYS 34 21.026 -12.181 10.817 262 HG2 LYS 34 2HG LYS 34 20.655 -14.273 9.900 263 HG3 LYS 34 3HG LYS 34 19.792 -13.195 8.800 264 HD2 LYS 34 2HD LYS 34 20.957 -14.614 7.365 265 HD3 LYS 34 3HD LYS 34 21.983 -13.180 7.443 266 HE2 LYS 34 2HE LYS 34 23.461 -14.243 8.997 267 HE3 LYS 34 3HE LYS 34 22.369 -15.616 9.175 268 HZ1 LYS 34 3HZ LYS 34 23.339 -16.597 7.462 269 HZ2 LYS 34 1HZ LYS 34 24.446 -15.323 7.355 270 HZ3 LYS 34 2HZ LYS 34 23.015 -15.278 6.455 271 HA PRO 35 HA PRO 35 17.697 -8.707 9.308 272 HB2 PRO 35 2HB PRO 35 17.152 -7.773 6.818 273 HB3 PRO 35 3HB PRO 35 18.256 -6.955 7.929 274 HG2 PRO 35 2HG PRO 35 18.880 -8.783 5.642 275 HG3 PRO 35 3HG PRO 35 19.669 -7.265 6.109 276 HD2 PRO 35 2HD PRO 35 20.709 -9.692 6.708 277 HD3 PRO 35 3HD PRO 35 20.921 -8.277 7.759 278 HA PRO 36 HA PRO 36 14.716 -11.650 7.971 279 HB2 PRO 36 2HB PRO 36 12.507 -10.125 7.564 280 HB3 PRO 36 3HB PRO 36 13.147 -10.479 9.173 281 HG2 PRO 36 2HG PRO 36 13.497 -8.027 7.491 282 HG3 PRO 36 3HG PRO 36 13.169 -8.154 9.229 283 HD2 PRO 36 2HD PRO 36 15.644 -7.667 8.246 284 HD3 PRO 36 3HD PRO 36 15.374 -8.584 9.743 285 H THR 37 H THR 37 13.041 -12.105 6.220 286 HA THR 37 HA THR 37 14.257 -11.508 3.653 287 HB THR 37 HB THR 37 11.950 -13.333 4.354 288 HG1 THR 37 HG1 THR 37 14.529 -14.120 3.495 289 HG21 THR 37 3HG2 THR 37 13.184 -14.021 1.896 290 HG22 THR 37 1HG2 THR 37 12.791 -12.304 1.832 291 HG23 THR 37 2HG2 THR 37 11.527 -13.485 2.174 292 H ASN 38 H ASN 38 13.721 -9.464 3.034 293 HA ASN 38 HA ASN 38 12.470 -7.741 2.234 294 HB2 ASN 38 2HB ASN 38 10.719 -10.112 1.671 295 HB3 ASN 38 3HB ASN 38 10.140 -8.486 1.322 296 HD21 ASN 38 1HD2 ASN 38 13.021 -10.498 0.834 297 HD22 ASN 38 2HD2 ASN 38 13.320 -9.974 -0.785 298 H LYS 39 H LYS 39 12.509 -7.821 4.933 299 HA LYS 39 HA LYS 39 9.874 -6.748 5.601 300 HB2 LYS 39 2HB LYS 39 11.271 -8.570 7.544 301 HB3 LYS 39 3HB LYS 39 9.606 -8.005 7.576 302 HG2 LYS 39 2HG LYS 39 9.432 -9.330 5.326 303 HG3 LYS 39 3HG LYS 39 10.840 -10.182 5.964 304 HD2 LYS 39 2HD LYS 39 9.415 -11.461 7.105 305 HD3 LYS 39 3HD LYS 39 9.078 -10.049 8.109 306 HE2 LYS 39 2HE LYS 39 7.281 -9.405 6.553 307 HE3 LYS 39 3HE LYS 39 7.600 -10.857 5.605 308 HZ1 LYS 39 3HZ LYS 39 7.142 -11.321 8.422 309 HZ2 LYS 39 1HZ LYS 39 6.537 -12.146 7.075 310 HZ3 LYS 39 2HZ LYS 39 5.805 -10.710 7.586 311 H LEU 40 H LEU 40 9.911 -5.456 7.607 312 HA LEU 40 HA LEU 40 12.590 -4.387 8.196 313 HB2 LEU 40 2HB LEU 40 11.226 -2.187 8.571 314 HB3 LEU 40 3HB LEU 40 11.776 -2.647 6.962 315 HG LEU 40 HG LEU 40 9.045 -3.481 7.794 316 HD11 LEU 40 1HD1 LEU 40 8.667 -1.030 6.571 317 HD12 LEU 40 2HD1 LEU 40 9.944 -0.727 7.748 318 HD13 LEU 40 3HD1 LEU 40 8.404 -1.406 8.274 319 HD21 LEU 40 3HD2 LEU 40 8.649 -2.878 5.375 320 HD22 LEU 40 1HD2 LEU 40 9.758 -4.219 5.662 321 HD23 LEU 40 2HD2 LEU 40 10.390 -2.627 5.241 322 HA PRO 41 HA PRO 41 11.670 -4.820 12.464 323 HB2 PRO 41 2HB PRO 41 12.893 -2.643 13.529 324 HB3 PRO 41 3HB PRO 41 13.784 -4.031 12.894 325 HG2 PRO 41 2HG PRO 41 13.207 -1.396 11.595 326 HG3 PRO 41 3HG PRO 41 14.714 -2.330 11.609 327 HD2 PRO 41 2HD PRO 41 13.018 -2.333 9.499 328 HD3 PRO 41 3HD PRO 41 13.999 -3.746 9.936 329 H ILE 42 H ILE 42 9.748 -4.538 13.390 330 HA ILE 42 HA ILE 42 8.569 -1.836 13.393 331 HB ILE 42 HB ILE 42 6.999 -4.412 13.397 332 HG12 ILE 42 2HG1 ILE 42 8.210 -4.177 11.274 333 HG13 ILE 42 3HG1 ILE 42 6.481 -3.937 11.045 334 HG21 ILE 42 1HG2 ILE 42 5.566 -2.158 12.422 335 HG22 ILE 42 2HG2 ILE 42 5.256 -3.124 13.864 336 HG23 ILE 42 3HG2 ILE 42 6.320 -1.720 13.955 337 HD11 ILE 42 3HD1 ILE 42 8.647 -2.198 10.402 338 HD12 ILE 42 1HD1 ILE 42 6.930 -2.026 10.036 339 HD13 ILE 42 2HD1 ILE 42 7.575 -1.403 11.555 340 H PHE 43 H PHE 43 8.914 -1.083 15.393 341 HA PHE 43 HA PHE 43 8.866 -2.807 17.702 342 HB2 PHE 43 2HB PHE 43 10.396 -0.816 17.439 343 HB3 PHE 43 3HB PHE 43 8.983 0.211 17.658 344 HD1 PHE 43 HD2 PHE 43 10.114 -2.895 19.382 345 HD2 PHE 43 HD1 PHE 43 9.119 1.230 19.711 346 HE1 PHE 43 HE2 PHE 43 10.406 -3.024 21.821 347 HE2 PHE 43 HE1 PHE 43 9.410 1.108 22.152 348 HZ PHE 43 HZ PHE 43 10.053 -1.021 23.210 349 H PHE 44 H PHE 44 6.908 -3.571 18.247 350 HA PHE 44 HA PHE 44 4.478 -2.164 17.899 351 HB2 PHE 44 2HB PHE 44 5.303 -4.679 19.274 352 HB3 PHE 44 3HB PHE 44 3.733 -3.992 19.675 353 HD1 PHE 44 HD1 PHE 44 2.620 -3.038 17.265 354 HD2 PHE 44 HD2 PHE 44 5.080 -6.461 17.856 355 HE1 PHE 44 HE1 PHE 44 1.651 -4.076 15.255 356 HE2 PHE 44 HE2 PHE 44 4.116 -7.504 15.847 357 HZ PHE 44 HZ PHE 44 2.400 -6.312 14.543 358 H PHE 45 H PHE 45 3.864 -0.426 18.988 359 HA PHE 45 HA PHE 45 5.018 0.266 21.524 360 HB2 PHE 45 2HB PHE 45 3.364 1.569 19.495 361 HB3 PHE 45 3HB PHE 45 2.895 1.994 21.138 362 HD1 PHE 45 HD2 PHE 45 5.913 1.720 18.973 363 HD2 PHE 45 HD1 PHE 45 3.999 3.705 22.216 364 HE1 PHE 45 HE2 PHE 45 7.771 3.329 19.080 365 HE2 PHE 45 HE1 PHE 45 5.854 5.318 22.328 366 HZ PHE 45 HZ PHE 45 7.744 5.131 20.760 367 H GLY 46 H GLY 46 4.028 0.346 23.526 368 HA2 GLY 46 2HA GLY 46 2.255 0.090 25.055 369 HA3 GLY 46 3HA GLY 46 1.282 -0.618 23.774 370 H THR 47 H THR 47 3.219 -2.543 22.918 371 HA THR 47 HA THR 47 3.076 -4.390 25.206 372 HB THR 47 HB THR 47 3.009 -6.221 23.630 373 HG1 THR 47 HG1 THR 47 2.765 -5.433 21.292 374 HG21 THR 47 3HG2 THR 47 0.903 -5.644 22.385 375 HG22 THR 47 1HG2 THR 47 1.090 -3.990 22.965 376 HG23 THR 47 2HG2 THR 47 0.856 -5.307 24.115 377 H HIS 48 H HIS 48 5.226 -2.553 23.474 378 HA HIS 48 HA HIS 48 7.488 -2.537 23.207 379 HB2 HIS 48 2HB HIS 48 7.194 -4.184 25.716 380 HB3 HIS 48 3HB HIS 48 8.768 -3.718 25.076 381 HD1 HIS 48 HD1 HIS 48 8.485 -0.842 24.418 382 HD2 HIS 48 HD2 HIS 48 6.682 -2.512 27.767 383 HE1 HIS 48 HE1 HIS 48 8.092 1.076 25.996 384 H GLU 49 H GLU 49 6.009 -4.544 21.744 385 HA GLU 49 HA GLU 49 7.860 -6.814 21.676 386 HB2 GLU 49 2HB GLU 49 5.233 -6.427 20.230 387 HB3 GLU 49 3HB GLU 49 6.193 -7.900 20.252 388 HG2 GLU 49 2HG GLU 49 5.818 -8.153 22.624 389 HG3 GLU 49 3HG GLU 49 4.942 -6.625 22.673 390 H THR 50 H THR 50 8.137 -7.684 19.310 391 HA THR 50 HA THR 50 8.557 -5.523 17.394 392 HB THR 50 HB THR 50 10.690 -5.474 18.403 393 HG1 THR 50 HG1 THR 50 10.619 -5.810 16.034 394 HG21 THR 50 3HG2 THR 50 12.037 -7.579 18.707 395 HG22 THR 50 1HG2 THR 50 10.565 -8.487 18.367 396 HG23 THR 50 2HG2 THR 50 10.642 -7.426 19.774 397 H ALA 51 H ALA 51 7.926 -6.153 15.440 398 HA ALA 51 HA ALA 51 8.154 -8.990 14.711 399 HB1 ALA 51 1HB ALA 51 5.856 -8.641 15.408 400 HB2 ALA 51 2HB ALA 51 5.704 -7.281 14.294 401 HB3 ALA 51 3HB ALA 51 5.933 -8.914 13.667 402 H PHE 52 H PHE 52 8.640 -9.400 12.587 403 HA PHE 52 HA PHE 52 9.500 -7.087 11.026 404 HB2 PHE 52 2HB PHE 52 10.065 -10.042 10.812 405 HB3 PHE 52 3HB PHE 52 10.553 -8.897 9.567 406 HD1 PHE 52 HD2 PHE 52 11.542 -6.622 10.972 407 HD2 PHE 52 HD1 PHE 52 11.912 -10.741 11.976 408 HE1 PHE 52 HE2 PHE 52 13.596 -6.126 12.232 409 HE2 PHE 52 HE1 PHE 52 13.966 -10.253 13.239 410 HZ PHE 52 HZ PHE 52 14.811 -7.943 13.368 411 H LEU 53 H LEU 53 8.147 -6.259 9.588 412 HA LEU 53 HA LEU 53 6.566 -8.067 7.915 413 HB2 LEU 53 2HB LEU 53 5.367 -5.567 9.070 414 HB3 LEU 53 3HB LEU 53 4.553 -6.871 8.208 415 HG LEU 53 HG LEU 53 5.828 -7.286 10.899 416 HD11 LEU 53 1HD1 LEU 53 3.725 -5.548 10.438 417 HD12 LEU 53 2HD1 LEU 53 4.144 -6.309 11.973 418 HD13 LEU 53 3HD1 LEU 53 2.942 -7.053 10.920 419 HD21 LEU 53 3HD2 LEU 53 5.301 -9.391 10.394 420 HD22 LEU 53 1HD2 LEU 53 4.352 -8.900 8.991 421 HD23 LEU 53 2HD2 LEU 53 3.615 -8.913 10.593 422 H GLY 54 H GLY 54 6.847 -7.601 5.837 423 HA2 GLY 54 2HA GLY 54 8.453 -5.548 4.883 424 HA3 GLY 54 3HA GLY 54 7.296 -6.441 3.908 425 HA PRO 55 HA PRO 55 6.072 -1.912 4.300 426 HB2 PRO 55 2HB PRO 55 6.247 -1.317 1.656 427 HB3 PRO 55 3HB PRO 55 7.609 -1.154 2.770 428 HG2 PRO 55 2HG PRO 55 6.986 -3.365 0.851 429 HG3 PRO 55 3HG PRO 55 8.543 -2.588 1.195 430 HD2 PRO 55 2HD PRO 55 7.847 -4.984 2.247 431 HD3 PRO 55 3HD PRO 55 8.881 -3.826 3.110 432 H LYS 56 H LYS 56 5.244 -4.518 2.093 433 HA LYS 56 HA LYS 56 2.709 -3.403 1.337 434 HB2 LYS 56 2HB LYS 56 3.635 -6.266 1.069 435 HB3 LYS 56 3HB LYS 56 2.339 -5.484 0.175 436 HG2 LYS 56 2HG LYS 56 4.127 -3.907 -0.718 437 HG3 LYS 56 3HG LYS 56 5.297 -5.061 -0.074 438 HD2 LYS 56 2HD LYS 56 3.074 -5.977 -1.862 439 HD3 LYS 56 3HD LYS 56 4.542 -5.274 -2.544 440 HE2 LYS 56 2HE LYS 56 5.898 -6.966 -1.525 441 HE3 LYS 56 3HE LYS 56 4.522 -7.593 -0.618 442 HZ1 LYS 56 3HZ LYS 56 3.925 -8.848 -2.330 443 HZ2 LYS 56 1HZ LYS 56 5.390 -8.447 -3.076 444 HZ3 LYS 56 2HZ LYS 56 3.996 -7.552 -3.415 445 H ASP 57 H ASP 57 3.799 -4.730 4.158 446 HA ASP 57 HA ASP 57 1.195 -5.911 4.839 447 HB2 ASP 57 2HB ASP 57 3.977 -6.404 5.732 448 HB3 ASP 57 3HB ASP 57 2.734 -6.512 6.975 449 H ILE 58 H ILE 58 3.357 -3.299 5.532 450 HA ILE 58 HA ILE 58 1.808 -2.495 7.880 451 HB ILE 58 HB ILE 58 3.530 -0.696 8.101 452 HG12 ILE 58 2HG1 ILE 58 4.947 -2.225 5.908 453 HG13 ILE 58 3HG1 ILE 58 4.165 -0.663 5.688 454 HG21 ILE 58 1HG2 ILE 58 4.498 -2.129 9.488 455 HG22 ILE 58 2HG2 ILE 58 3.739 -3.464 8.623 456 HG23 ILE 58 3HG2 ILE 58 5.337 -2.897 8.141 457 HD11 ILE 58 3HD1 ILE 58 6.649 -0.605 5.993 458 HD12 ILE 58 1HD1 ILE 58 5.727 0.413 7.100 459 HD13 ILE 58 2HD1 ILE 58 6.384 -1.126 7.656 460 H PHE 59 H PHE 59 0.521 -0.722 7.946 461 HA PHE 59 HA PHE 59 0.226 0.801 5.440 462 HB2 PHE 59 2HB PHE 59 -1.768 -0.459 7.223 463 HB3 PHE 59 3HB PHE 59 -2.174 1.155 6.649 464 HD1 PHE 59 HD2 PHE 59 -0.949 -2.125 5.372 465 HD2 PHE 59 HD1 PHE 59 -3.255 1.375 4.631 466 HE1 PHE 59 HE2 PHE 59 -1.708 -3.082 3.236 467 HE2 PHE 59 HE1 PHE 59 -4.019 0.424 2.494 468 HZ PHE 59 HZ PHE 59 -3.245 -1.807 1.794 469 HA PRO 60 HA PRO 60 0.879 4.567 7.592 470 HB2 PRO 60 2HB PRO 60 -0.967 6.222 6.487 471 HB3 PRO 60 3HB PRO 60 0.468 5.667 5.617 472 HG2 PRO 60 2HG PRO 60 -2.343 4.645 5.481 473 HG3 PRO 60 3HG PRO 60 -1.194 4.939 4.162 474 HD2 PRO 60 2HD PRO 60 -1.665 2.466 5.160 475 HD3 PRO 60 3HD PRO 60 -0.082 2.952 4.519 476 H TYR 61 H TYR 61 0.369 5.254 9.572 477 HA TYR 61 HA TYR 61 -1.938 4.377 10.933 478 HB2 TYR 61 2HB TYR 61 -0.926 5.199 12.787 479 HB3 TYR 61 3HB TYR 61 0.467 5.345 11.721 480 HD1 TYR 61 HD1 TYR 61 0.840 7.590 10.556 481 HD2 TYR 61 HD2 TYR 61 -1.827 7.089 13.833 482 HE1 TYR 61 HE1 TYR 61 0.916 10.012 10.980 483 HE2 TYR 61 HE2 TYR 61 -1.759 9.510 14.265 484 HH TYR 61 HH TYR 61 0.365 11.462 13.464 485 H SER 62 H SER 62 -1.445 6.975 8.810 486 HA SER 62 HA SER 62 -3.288 8.846 9.878 487 HB2 SER 62 2HB SER 62 -2.862 10.106 7.999 488 HB3 SER 62 3HB SER 62 -1.446 9.055 7.973 489 HG SER 62 HG SER 62 -3.718 9.034 6.342 490 H GLU 63 H GLU 63 -3.681 5.878 8.242 491 HA GLU 63 HA GLU 63 -6.398 6.522 7.375 492 HB2 GLU 63 2HB GLU 63 -4.505 4.263 6.829 493 HB3 GLU 63 3HB GLU 63 -6.229 4.046 6.557 494 HG2 GLU 63 2HG GLU 63 -4.479 6.135 5.281 495 HG3 GLU 63 3HG GLU 63 -5.098 4.676 4.510 496 H ASN 64 H ASN 64 -4.649 4.542 9.685 497 HA ASN 64 HA ASN 64 -7.025 3.194 10.614 498 HB2 ASN 64 2HB ASN 64 -4.231 3.272 11.777 499 HB3 ASN 64 3HB ASN 64 -5.526 2.200 12.300 500 HD21 ASN 64 1HD2 ASN 64 -6.008 0.408 11.120 501 HD22 ASN 64 2HD2 ASN 64 -5.082 -0.116 9.758 502 H LYS 65 H LYS 65 -4.829 5.691 11.857 503 HA LYS 65 HA LYS 65 -6.011 6.101 14.339 504 HB2 LYS 65 2HB LYS 65 -4.805 8.108 14.454 505 HB3 LYS 65 3HB LYS 65 -3.847 7.098 13.380 506 HG2 LYS 65 2HG LYS 65 -3.827 8.984 12.143 507 HG3 LYS 65 3HG LYS 65 -5.357 8.327 11.555 508 HD2 LYS 65 2HD LYS 65 -6.618 9.833 12.751 509 HD3 LYS 65 3HD LYS 65 -5.370 10.065 13.978 510 HE2 LYS 65 2HE LYS 65 -4.101 11.463 12.561 511 HE3 LYS 65 3HE LYS 65 -5.031 10.994 11.139 512 HZ1 LYS 65 3HZ LYS 65 -6.693 12.414 11.644 513 HZ2 LYS 65 1HZ LYS 65 -5.460 13.241 12.455 514 HZ3 LYS 65 2HZ LYS 65 -6.512 12.236 13.316 515 H GLU 66 H GLU 66 -7.082 7.025 11.176 516 HA GLU 66 HA GLU 66 -9.018 8.939 12.169 517 HB2 GLU 66 2HB GLU 66 -7.752 8.990 9.895 518 HB3 GLU 66 3HB GLU 66 -8.987 7.853 9.373 519 HG2 GLU 66 2HG GLU 66 -10.635 9.637 10.305 520 HG3 GLU 66 3HG GLU 66 -9.257 10.721 10.134 521 H LYS 67 H LYS 67 -8.847 5.582 11.579 522 HA LYS 67 HA LYS 67 -11.637 5.151 11.077 523 HB2 LYS 67 2HB LYS 67 -9.243 3.446 11.517 524 HB3 LYS 67 3HB LYS 67 -10.811 2.726 11.855 525 HG2 LYS 67 2HG LYS 67 -10.105 4.048 9.247 526 HG3 LYS 67 3HG LYS 67 -9.944 2.318 9.555 527 HD2 LYS 67 2HD LYS 67 -12.516 3.875 9.813 528 HD3 LYS 67 3HD LYS 67 -12.055 2.928 8.396 529 HE2 LYS 67 2HE LYS 67 -11.719 1.058 10.266 530 HE3 LYS 67 3HE LYS 67 -12.938 2.036 11.083 531 HZ1 LYS 67 3HZ LYS 67 -13.388 1.293 8.283 532 HZ2 LYS 67 1HZ LYS 67 -14.509 1.550 9.523 533 HZ3 LYS 67 2HZ LYS 67 -13.619 0.113 9.474 534 H TYR 68 H TYR 68 -9.550 4.296 13.844 535 HA TYR 68 HA TYR 68 -11.863 4.744 15.606 536 HB2 TYR 68 2HB TYR 68 -9.956 2.661 16.463 537 HB3 TYR 68 3HB TYR 68 -11.711 2.705 16.589 538 HD1 TYR 68 HD1 TYR 68 -13.110 1.942 14.717 539 HD2 TYR 68 HD2 TYR 68 -8.868 1.648 14.574 540 HE1 TYR 68 HE1 TYR 68 -13.289 0.365 12.838 541 HE2 TYR 68 HE2 TYR 68 -9.035 0.070 12.694 542 HH TYR 68 HH TYR 68 -11.845 -1.488 11.848 543 H GLY 69 H GLY 69 -8.473 5.028 15.012 544 HA2 GLY 69 2HA GLY 69 -6.933 6.439 15.998 545 HA3 GLY 69 3HA GLY 69 -8.202 6.999 17.077 546 H LYS 70 H LYS 70 -8.593 3.964 17.653 547 HA LYS 70 HA LYS 70 -6.222 3.401 19.231 548 HB2 LYS 70 2HB LYS 70 -7.896 2.962 21.225 549 HB3 LYS 70 3HB LYS 70 -7.191 4.552 20.964 550 HG2 LYS 70 2HG LYS 70 -9.173 5.401 20.038 551 HG3 LYS 70 3HG LYS 70 -9.856 3.788 19.818 552 HD2 LYS 70 2HD LYS 70 -10.972 4.620 21.693 553 HD3 LYS 70 3HD LYS 70 -9.707 3.594 22.375 554 HE2 LYS 70 2HE LYS 70 -9.573 5.519 23.666 555 HE3 LYS 70 3HE LYS 70 -8.313 5.765 22.459 556 HZ1 LYS 70 3HZ LYS 70 -10.044 7.036 21.169 557 HZ2 LYS 70 1HZ LYS 70 -9.493 7.773 22.588 558 HZ3 LYS 70 2HZ LYS 70 -10.999 7.005 22.565 559 HA PRO 71 HA PRO 71 -7.259 -0.792 18.464 560 HB2 PRO 71 2HB PRO 71 -6.483 -2.025 20.754 561 HB3 PRO 71 3HB PRO 71 -5.336 -1.378 19.575 562 HG2 PRO 71 2HG PRO 71 -6.296 -0.173 22.142 563 HG3 PRO 71 3HG PRO 71 -4.652 -0.229 21.478 564 HD2 PRO 71 2HD PRO 71 -6.220 1.972 21.305 565 HD3 PRO 71 3HD PRO 71 -5.031 1.546 20.057 566 H ASN 72 H ASN 72 -8.885 -2.281 18.714 567 HA ASN 72 HA ASN 72 -11.003 -1.551 20.598 568 HB2 ASN 72 2HB ASN 72 -10.930 -2.634 17.907 569 HB3 ASN 72 3HB ASN 72 -11.938 -3.618 18.964 570 HD21 ASN 72 1HD2 ASN 72 -13.745 -2.952 17.730 571 HD22 ASN 72 2HD2 ASN 72 -14.459 -1.398 17.974 572 H LYS 73 H LYS 73 -9.506 -4.542 19.354 573 HA LYS 73 HA LYS 73 -9.952 -5.747 22.007 574 HB2 LYS 73 2HB LYS 73 -11.263 -6.636 19.938 575 HB3 LYS 73 3HB LYS 73 -9.732 -7.382 19.500 576 HG2 LYS 73 2HG LYS 73 -10.189 -9.076 20.842 577 HG3 LYS 73 3HG LYS 73 -10.199 -7.974 22.221 578 HD2 LYS 73 2HD LYS 73 -12.626 -7.438 21.342 579 HD3 LYS 73 3HD LYS 73 -12.473 -9.039 20.617 580 HE2 LYS 73 2HE LYS 73 -11.593 -8.959 23.391 581 HE3 LYS 73 3HE LYS 73 -13.281 -8.488 23.195 582 HZ1 LYS 73 3HZ LYS 73 -13.030 -10.680 21.606 583 HZ2 LYS 73 1HZ LYS 73 -13.698 -10.658 23.160 584 HZ3 LYS 73 2HZ LYS 73 -12.073 -11.072 22.945 585 H ARG 74 H ARG 74 -7.632 -4.247 21.143 586 HA ARG 74 HA ARG 74 -5.606 -6.389 21.155 587 HB2 ARG 74 2HB ARG 74 -5.528 -3.623 19.957 588 HB3 ARG 74 3HB ARG 74 -4.074 -4.574 20.228 589 HG2 ARG 74 2HG ARG 74 -6.390 -5.577 18.599 590 HG3 ARG 74 3HG ARG 74 -5.053 -4.657 17.907 591 HD2 ARG 74 2HD ARG 74 -4.396 -7.008 19.599 592 HD3 ARG 74 3HD ARG 74 -5.051 -7.309 17.990 593 HE ARG 74 HE ARG 74 -3.008 -5.452 17.705 594 HH11 ARG 74 1HH1 ARG 74 -3.385 -8.753 18.744 595 HH12 ARG 74 2HH1 ARG 74 -1.794 -9.227 18.250 596 HH21 ARG 74 1HH2 ARG 74 -0.911 -6.064 17.051 597 HH22 ARG 74 2HH2 ARG 74 -0.387 -7.697 17.288 598 H LYS 75 H LYS 75 -4.596 -6.608 23.027 599 HA LYS 75 HA LYS 75 -4.899 -4.955 25.237 600 HB2 LYS 75 2HB LYS 75 -2.877 -7.045 24.500 601 HB3 LYS 75 3HB LYS 75 -2.691 -6.123 25.986 602 HG2 LYS 75 2HG LYS 75 -4.680 -6.977 26.894 603 HG3 LYS 75 3HG LYS 75 -5.224 -7.591 25.331 604 HD2 LYS 75 2HD LYS 75 -3.703 -9.364 25.367 605 HD3 LYS 75 3HD LYS 75 -2.698 -8.597 26.598 606 HE2 LYS 75 2HE LYS 75 -5.522 -9.484 27.129 607 HE3 LYS 75 3HE LYS 75 -4.136 -10.551 27.349 608 HZ1 LYS 75 3HZ LYS 75 -3.879 -9.670 29.349 609 HZ2 LYS 75 1HZ LYS 75 -5.119 -8.551 29.079 610 HZ3 LYS 75 2HZ LYS 75 -3.530 -8.174 28.641 611 H GLY 76 H GLY 76 -3.532 -3.451 26.262 612 HA2 GLY 76 2HA GLY 76 -1.550 -2.111 26.355 613 HA3 GLY 76 3HA GLY 76 -1.339 -2.367 24.629 614 H PHE 77 H PHE 77 -4.543 -1.789 25.092 615 HA PHE 77 HA PHE 77 -4.597 0.635 23.749 616 HB2 PHE 77 2HB PHE 77 -6.931 0.806 24.432 617 HB3 PHE 77 3HB PHE 77 -6.550 -0.857 23.999 618 HD1 PHE 77 HD2 PHE 77 -7.329 1.432 26.750 619 HD2 PHE 77 HD1 PHE 77 -6.557 -2.605 25.642 620 HE1 PHE 77 HE2 PHE 77 -8.174 0.675 28.933 621 HE2 PHE 77 HE1 PHE 77 -7.402 -3.369 27.823 622 HZ PHE 77 HZ PHE 77 -8.211 -1.728 29.473 623 H ASN 78 H ASN 78 -4.602 2.755 24.329 624 HA ASN 78 HA ASN 78 -4.190 4.618 25.567 625 HB2 ASN 78 2HB ASN 78 -5.791 2.903 27.386 626 HB3 ASN 78 3HB ASN 78 -4.939 4.256 28.124 627 HD21 ASN 78 1HD2 ASN 78 -5.126 6.288 26.540 628 HD22 ASN 78 2HD2 ASN 78 -6.759 6.683 26.138 629 H GLU 79 H GLU 79 -2.254 2.311 25.454 630 HA GLU 79 HA GLU 79 -0.608 3.103 27.767 631 HB2 GLU 79 2HB GLU 79 -1.503 0.659 27.596 632 HB3 GLU 79 3HB GLU 79 -0.255 0.472 26.372 633 HG2 GLU 79 2HG GLU 79 0.453 -0.268 28.611 634 HG3 GLU 79 3HG GLU 79 1.461 1.019 27.952 635 H GLY 80 H GLY 80 -0.278 4.783 25.844 636 HA2 GLY 80 2HA GLY 80 1.926 5.500 25.030 637 HA3 GLY 80 3HA GLY 80 2.134 3.874 24.398 638 H LEU 81 H LEU 81 -1.003 4.544 23.849 639 HA LEU 81 HA LEU 81 -0.712 4.780 21.066 640 HB2 LEU 81 2HB LEU 81 -2.703 3.836 21.996 641 HB3 LEU 81 3HB LEU 81 -3.056 5.322 22.877 642 HG LEU 81 HG LEU 81 -3.045 6.207 20.299 643 HD11 LEU 81 1HD1 LEU 81 -4.478 3.575 20.173 644 HD12 LEU 81 2HD1 LEU 81 -2.806 3.749 19.641 645 HD13 LEU 81 3HD1 LEU 81 -4.081 4.685 18.861 646 HD21 LEU 81 3HD2 LEU 81 -5.419 5.066 21.768 647 HD22 LEU 81 1HD2 LEU 81 -5.445 6.305 20.514 648 HD23 LEU 81 2HD2 LEU 81 -4.706 6.649 22.078 649 H TRP 82 H TRP 82 -1.037 7.170 23.597 650 HA TRP 82 HA TRP 82 -1.490 9.356 21.776 651 HB2 TRP 82 2HB TRP 82 -2.447 9.568 23.958 652 HB3 TRP 82 3HB TRP 82 -0.902 9.235 24.735 653 HD1 TRP 82 HD1 TRP 82 -2.842 12.030 23.000 654 HE1 TRP 82 HE1 TRP 82 -1.657 14.268 23.461 655 HE3 TRP 82 HE3 TRP 82 1.392 10.257 25.250 656 HZ2 TRP 82 HZ2 TRP 82 0.754 15.163 24.624 657 HZ3 TRP 82 HZ3 TRP 82 3.089 11.871 26.007 658 HH2 TRP 82 HH2 TRP 82 2.775 14.272 25.699 659 H GLU 83 H GLU 83 1.212 7.619 22.850 660 HA GLU 83 HA GLU 83 3.109 9.783 22.640 661 HB2 GLU 83 2HB GLU 83 3.343 6.819 23.075 662 HB3 GLU 83 3HB GLU 83 4.764 7.799 22.743 663 HG2 GLU 83 2HG GLU 83 4.577 8.975 24.734 664 HG3 GLU 83 3HG GLU 83 2.883 8.538 24.946 665 H ILE 84 H ILE 84 1.646 7.509 20.526 666 HA ILE 84 HA ILE 84 3.638 7.284 18.553 667 HB ILE 84 HB ILE 84 1.501 5.915 18.755 668 HG12 ILE 84 2HG1 ILE 84 2.280 7.053 16.062 669 HG13 ILE 84 3HG1 ILE 84 3.033 5.681 16.868 670 HG21 ILE 84 1HG2 ILE 84 0.192 8.229 18.654 671 HG22 ILE 84 2HG2 ILE 84 0.185 7.845 16.933 672 HG23 ILE 84 3HG2 ILE 84 -0.519 6.717 18.091 673 HD11 ILE 84 3HD1 ILE 84 1.598 4.328 15.882 674 HD12 ILE 84 1HD1 ILE 84 0.261 5.154 16.682 675 HD13 ILE 84 2HD1 ILE 84 0.821 5.706 15.103 676 H ASP 85 H ASP 85 1.470 9.846 19.359 677 HA ASP 85 HA ASP 85 2.250 11.286 16.909 678 HB2 ASP 85 2HB ASP 85 -0.260 10.775 17.484 679 HB3 ASP 85 3HB ASP 85 -0.078 12.133 18.591 680 H ASN 86 H ASN 86 3.193 10.999 19.948 681 HA ASN 86 HA ASN 86 3.898 13.844 20.166 682 HB2 ASN 86 2HB ASN 86 2.810 12.048 22.329 683 HB3 ASN 86 3HB ASN 86 3.740 13.496 22.704 684 HD21 ASN 86 1HD2 ASN 86 0.851 12.310 21.096 685 HD22 ASN 86 2HD2 ASN 86 -0.052 13.777 21.234 686 H ASN 87 H ASN 87 4.586 10.850 21.978 687 HA ASN 87 HA ASN 87 7.455 11.412 21.615 688 HB2 ASN 87 2HB ASN 87 6.587 11.521 23.968 689 HB3 ASN 87 3HB ASN 87 6.182 9.812 23.844 690 HD21 ASN 87 1HD2 ASN 87 7.748 10.277 25.823 691 HD22 ASN 87 2HD2 ASN 87 9.399 9.884 25.499 692 HA PRO 88 HA PRO 88 6.495 7.467 19.349 693 HB2 PRO 88 2HB PRO 88 7.934 8.111 17.138 694 HB3 PRO 88 3HB PRO 88 6.243 8.579 17.354 695 HG2 PRO 88 2HG PRO 88 8.726 10.193 17.789 696 HG3 PRO 88 3HG PRO 88 7.203 10.670 17.017 697 HD2 PRO 88 2HD PRO 88 7.815 11.341 19.567 698 HD3 PRO 88 3HD PRO 88 6.149 11.038 19.033 699 H LYS 89 H LYS 89 9.247 9.129 20.487 700 HA LYS 89 HA LYS 89 10.939 6.758 20.040 701 HB2 LYS 89 2HB LYS 89 11.803 9.607 20.572 702 HB3 LYS 89 3HB LYS 89 12.874 8.241 20.290 703 HG2 LYS 89 2HG LYS 89 11.934 8.000 18.029 704 HG3 LYS 89 3HG LYS 89 10.925 9.419 18.319 705 HD2 LYS 89 2HD LYS 89 12.760 10.279 17.166 706 HD3 LYS 89 3HD LYS 89 13.141 10.618 18.856 707 HE2 LYS 89 2HE LYS 89 14.333 8.291 18.737 708 HE3 LYS 89 3HE LYS 89 14.333 8.603 17.002 709 HZ1 LYS 89 3HZ LYS 89 16.247 9.647 17.479 710 HZ2 LYS 89 1HZ LYS 89 15.861 9.875 19.111 711 HZ3 LYS 89 2HZ LYS 89 15.242 10.927 17.940 712 H VAL 90 H VAL 90 9.116 6.682 22.107 713 HA VAL 90 HA VAL 90 10.372 7.507 24.569 714 HB VAL 90 HB VAL 90 7.893 7.422 24.284 715 HG11 VAL 90 1HG1 VAL 90 8.088 4.453 24.650 716 HG12 VAL 90 2HG1 VAL 90 6.703 5.423 24.147 717 HG13 VAL 90 3HG1 VAL 90 8.054 5.173 23.041 718 HG21 VAL 90 3HG2 VAL 90 8.199 5.570 26.498 719 HG22 VAL 90 1HG2 VAL 90 9.439 6.824 26.498 720 HG23 VAL 90 2HG2 VAL 90 7.733 7.271 26.505 721 H LYS 91 H LYS 91 10.824 4.960 22.466 722 HA LYS 91 HA LYS 91 11.244 2.816 24.281 723 HB2 LYS 91 2HB LYS 91 12.320 1.689 22.413 724 HB3 LYS 91 3HB LYS 91 10.842 2.476 21.874 725 HG2 LYS 91 2HG LYS 91 12.201 3.123 20.188 726 HG3 LYS 91 3HG LYS 91 12.554 4.433 21.318 727 HD2 LYS 91 2HD LYS 91 14.588 3.455 21.979 728 HD3 LYS 91 3HD LYS 91 14.162 1.894 21.275 729 HE2 LYS 91 2HE LYS 91 14.509 2.659 19.089 730 HE3 LYS 91 3HE LYS 91 14.450 4.351 19.578 731 HZ1 LYS 91 3HZ LYS 91 16.713 3.116 19.100 732 HZ2 LYS 91 1HZ LYS 91 16.558 2.690 20.730 733 HZ3 LYS 91 2HZ LYS 91 16.591 4.320 20.281 734 H PHE 92 H PHE 92 13.102 5.565 23.400 735 HA PHE 92 HA PHE 92 15.711 4.735 23.737 736 HB2 PHE 92 2HB PHE 92 16.278 6.995 24.112 737 HB3 PHE 92 3HB PHE 92 14.832 7.056 23.109 738 HD1 PHE 92 HD1 PHE 92 12.584 6.952 24.668 739 HD2 PHE 92 HD2 PHE 92 16.366 8.570 25.762 740 HE1 PHE 92 HE1 PHE 92 11.484 8.384 26.339 741 HE2 PHE 92 HE2 PHE 92 15.272 10.003 27.436 742 HZ PHE 92 HZ PHE 92 12.828 9.911 27.727 743 H SER 93 H SER 93 13.233 5.225 26.136 744 HA SER 93 HA SER 93 15.113 5.005 28.343 745 HB2 SER 93 2HB SER 93 13.426 6.502 28.906 746 HB3 SER 93 3HB SER 93 12.174 5.549 28.110 747 HG SER 93 HG SER 93 13.374 5.170 30.624 Start of MODEL 4 1 H MET 1 H MET 1 3.021 2.112 -0.980 2 HA MET 1 HA MET 1 1.492 -0.262 -0.216 3 HB2 MET 1 2HB MET 1 2.551 0.729 -2.860 4 HB3 MET 1 3HB MET 1 1.853 -0.873 -2.660 5 HG2 MET 1 2HG MET 1 -0.147 0.485 -1.635 6 HG3 MET 1 3HG MET 1 0.543 1.792 -2.593 7 HE1 MET 1 3HE MET 1 0.363 0.831 -6.107 8 HE2 MET 1 1HE MET 1 -0.753 1.965 -5.346 9 HE3 MET 1 2HE MET 1 0.926 1.889 -4.812 10 H THR 2 H THR 2 4.397 0.096 -2.234 11 HA THR 2 HA THR 2 5.602 -2.131 -0.725 12 HB THR 2 HB THR 2 6.898 -2.659 -2.744 13 HG1 THR 2 HG1 THR 2 6.537 -1.533 -4.643 14 HG21 THR 2 3HG2 THR 2 3.947 -2.705 -2.678 15 HG22 THR 2 1HG2 THR 2 5.097 -4.029 -2.857 16 HG23 THR 2 2HG2 THR 2 4.688 -3.023 -4.246 17 H ARG 3 H ARG 3 5.911 1.147 -1.619 18 HA ARG 3 HA ARG 3 8.652 1.552 -1.687 19 HB2 ARG 3 2HB ARG 3 6.654 3.413 -0.394 20 HB3 ARG 3 3HB ARG 3 8.205 3.846 -1.100 21 HG2 ARG 3 2HG ARG 3 5.776 2.841 -2.565 22 HG3 ARG 3 3HG ARG 3 6.436 4.478 -2.595 23 HD2 ARG 3 2HD ARG 3 7.726 1.972 -3.663 24 HD3 ARG 3 3HD ARG 3 7.099 3.327 -4.601 25 HE ARG 3 HE ARG 3 8.959 4.496 -3.041 26 HH11 ARG 3 1HH1 ARG 3 9.026 1.696 -5.109 27 HH12 ARG 3 2HH1 ARG 3 10.704 1.866 -5.503 28 HH21 ARG 3 1HH2 ARG 3 11.170 4.730 -3.553 29 HH22 ARG 3 2HH2 ARG 3 11.923 3.591 -4.617 30 H ASP 4 H ASP 4 10.239 1.849 -0.179 31 HA ASP 4 HA ASP 4 9.850 0.617 2.373 32 HB2 ASP 4 2HB ASP 4 12.189 1.961 1.036 33 HB3 ASP 4 3HB ASP 4 12.274 1.426 2.712 34 H PHE 5 H PHE 5 9.418 1.524 4.284 35 HA PHE 5 HA PHE 5 8.809 4.332 4.400 36 HB2 PHE 5 2HB PHE 5 8.515 2.001 6.243 37 HB3 PHE 5 3HB PHE 5 8.467 3.621 6.930 38 HD1 PHE 5 HD2 PHE 5 6.660 5.151 6.386 39 HD2 PHE 5 HD1 PHE 5 6.752 1.194 4.822 40 HE1 PHE 5 HE2 PHE 5 4.290 5.349 5.755 41 HE2 PHE 5 HE1 PHE 5 4.383 1.386 4.187 42 HZ PHE 5 HZ PHE 5 3.148 3.465 4.655 43 H LYS 6 H LYS 6 9.515 5.395 6.644 44 HA LYS 6 HA LYS 6 12.453 5.202 6.730 45 HB2 LYS 6 2HB LYS 6 10.577 7.511 6.807 46 HB3 LYS 6 3HB LYS 6 12.043 7.626 7.771 47 HG2 LYS 6 2HG LYS 6 13.377 7.175 5.751 48 HG3 LYS 6 3HG LYS 6 11.888 7.148 4.802 49 HD2 LYS 6 2HD LYS 6 11.519 9.502 5.908 50 HD3 LYS 6 3HD LYS 6 13.272 9.446 6.109 51 HE2 LYS 6 2HE LYS 6 13.014 10.491 4.052 52 HE3 LYS 6 3HE LYS 6 13.309 8.811 3.608 53 HZ1 LYS 6 3HZ LYS 6 10.638 10.097 3.783 54 HZ2 LYS 6 1HZ LYS 6 10.937 8.495 3.329 55 HZ3 LYS 6 2HZ LYS 6 11.475 9.766 2.351 56 HA PRO 7 HA PRO 7 12.400 4.251 11.013 57 HB2 PRO 7 2HB PRO 7 14.485 5.706 11.965 58 HB3 PRO 7 3HB PRO 7 14.697 4.273 10.952 59 HG2 PRO 7 2HG PRO 7 14.779 7.165 10.184 60 HG3 PRO 7 3HG PRO 7 15.848 5.843 9.680 61 HD2 PRO 7 2HD PRO 7 13.840 6.769 8.117 62 HD3 PRO 7 3HD PRO 7 14.357 5.071 8.102 63 H GLY 8 H GLY 8 10.904 4.902 12.422 64 HA2 GLY 8 2HA GLY 8 10.132 6.304 14.157 65 HA3 GLY 8 3HA GLY 8 10.997 7.647 13.424 66 H ASP 9 H ASP 9 9.070 5.661 11.370 67 HA ASP 9 HA ASP 9 7.233 7.898 10.974 68 HB2 ASP 9 2HB ASP 9 8.194 5.638 9.326 69 HB3 ASP 9 3HB ASP 9 6.510 6.096 9.083 70 H LEU 10 H LEU 10 5.120 7.844 11.482 71 HA LEU 10 HA LEU 10 4.167 5.747 13.182 72 HB2 LEU 10 2HB LEU 10 2.913 8.235 12.059 73 HB3 LEU 10 3HB LEU 10 2.009 7.091 13.049 74 HG LEU 10 HG LEU 10 3.772 7.483 14.841 75 HD11 LEU 10 1HD1 LEU 10 4.440 9.738 12.961 76 HD12 LEU 10 2HD1 LEU 10 5.517 8.478 13.561 77 HD13 LEU 10 3HD1 LEU 10 4.899 9.708 14.663 78 HD21 LEU 10 3HD2 LEU 10 1.467 8.980 14.081 79 HD22 LEU 10 1HD2 LEU 10 2.651 10.075 14.793 80 HD23 LEU 10 2HD2 LEU 10 2.101 8.664 15.696 81 H ILE 11 H ILE 11 3.434 3.872 12.450 82 HA ILE 11 HA ILE 11 1.498 3.826 10.286 83 HB ILE 11 HB ILE 11 2.663 2.015 9.076 84 HG12 ILE 11 2HG1 ILE 11 5.274 2.101 9.617 85 HG13 ILE 11 3HG1 ILE 11 4.673 2.497 11.223 86 HG21 ILE 11 1HG2 ILE 11 2.837 4.466 8.477 87 HG22 ILE 11 2HG2 ILE 11 4.430 4.442 9.233 88 HG23 ILE 11 3HG2 ILE 11 4.102 3.418 7.835 89 HD11 ILE 11 3HD1 ILE 11 4.548 0.307 11.549 90 HD12 ILE 11 1HD1 ILE 11 3.139 0.336 10.489 91 HD13 ILE 11 2HD1 ILE 11 4.731 -0.041 9.830 92 H PHE 12 H PHE 12 0.081 2.127 10.407 93 HA PHE 12 HA PHE 12 0.066 0.664 12.896 94 HB2 PHE 12 2HB PHE 12 -1.858 1.153 10.684 95 HB3 PHE 12 3HB PHE 12 -2.075 -0.322 11.620 96 HD1 PHE 12 HD1 PHE 12 -1.148 3.194 12.468 97 HD2 PHE 12 HD2 PHE 12 -3.745 -0.105 13.168 98 HE1 PHE 12 HE1 PHE 12 -2.305 4.480 14.218 99 HE2 PHE 12 HE2 PHE 12 -4.906 1.176 14.918 100 HZ PHE 12 HZ PHE 12 -4.187 3.472 15.445 101 H ALA 13 H ALA 13 1.134 -1.177 13.130 102 HA ALA 13 HA ALA 13 1.979 -2.738 10.863 103 HB1 ALA 13 1HB ALA 13 2.422 -4.119 13.315 104 HB2 ALA 13 2HB ALA 13 3.596 -3.336 12.256 105 HB3 ALA 13 3HB ALA 13 2.817 -2.415 13.542 106 H LYS 14 H LYS 14 0.985 -4.445 10.010 107 HA LYS 14 HA LYS 14 -1.311 -5.581 11.459 108 HB2 LYS 14 2HB LYS 14 -2.047 -4.633 9.406 109 HB3 LYS 14 3HB LYS 14 -0.711 -5.348 8.514 110 HG2 LYS 14 2HG LYS 14 -2.853 -6.473 8.090 111 HG3 LYS 14 3HG LYS 14 -1.646 -7.552 8.793 112 HD2 LYS 14 2HD LYS 14 -2.757 -7.716 10.789 113 HD3 LYS 14 3HD LYS 14 -3.500 -6.123 10.630 114 HE2 LYS 14 2HE LYS 14 -5.174 -7.871 10.416 115 HE3 LYS 14 3HE LYS 14 -4.991 -7.001 8.894 116 HZ1 LYS 14 3HZ LYS 14 -3.579 -9.544 9.446 117 HZ2 LYS 14 1HZ LYS 14 -3.806 -8.779 7.954 118 HZ3 LYS 14 2HZ LYS 14 -5.118 -9.496 8.746 119 H MET 15 H MET 15 -0.646 -7.344 12.529 120 HA MET 15 HA MET 15 1.319 -9.130 11.333 121 HB2 MET 15 2HB MET 15 0.280 -8.625 14.043 122 HB3 MET 15 3HB MET 15 0.619 -10.313 13.687 123 HG2 MET 15 2HG MET 15 2.892 -9.412 12.829 124 HG3 MET 15 3HG MET 15 2.488 -7.991 13.790 125 HE1 MET 15 3HE MET 15 3.379 -11.488 13.457 126 HE2 MET 15 1HE MET 15 4.831 -11.056 14.361 127 HE3 MET 15 2HE MET 15 3.646 -12.153 15.069 128 H LYS 16 H LYS 16 0.866 -11.053 10.442 129 HA LYS 16 HA LYS 16 -1.652 -11.748 9.561 130 HB2 LYS 16 2HB LYS 16 0.688 -12.666 8.904 131 HB3 LYS 16 3HB LYS 16 0.399 -13.857 10.166 132 HG2 LYS 16 2HG LYS 16 -0.398 -14.992 8.364 133 HG3 LYS 16 3HG LYS 16 -1.876 -14.175 8.879 134 HD2 LYS 16 2HD LYS 16 -1.913 -13.652 6.657 135 HD3 LYS 16 3HD LYS 16 -0.962 -12.291 7.256 136 HE2 LYS 16 2HE LYS 16 0.407 -14.805 6.399 137 HE3 LYS 16 3HE LYS 16 -0.144 -13.651 5.186 138 HZ1 LYS 16 3HZ LYS 16 2.003 -13.406 7.143 139 HZ2 LYS 16 1HZ LYS 16 1.110 -12.006 6.817 140 HZ3 LYS 16 2HZ LYS 16 1.906 -12.813 5.562 141 H GLY 17 H GLY 17 -3.396 -12.119 10.770 142 HA2 GLY 17 2HA GLY 17 -4.647 -13.688 12.076 143 HA3 GLY 17 3HA GLY 17 -3.169 -14.094 12.937 144 H TYR 18 H TYR 18 -3.459 -10.772 12.485 145 HA TYR 18 HA TYR 18 -4.990 -10.318 14.919 146 HB2 TYR 18 2HB TYR 18 -2.213 -9.166 14.691 147 HB3 TYR 18 3HB TYR 18 -3.273 -9.179 16.096 148 HD1 TYR 18 HD2 TYR 18 -1.102 -11.265 13.962 149 HD2 TYR 18 HD1 TYR 18 -3.338 -11.048 17.575 150 HE1 TYR 18 HE2 TYR 18 -0.029 -13.336 14.743 151 HE2 TYR 18 HE1 TYR 18 -2.270 -13.118 18.367 152 HH TYR 18 HH TYR 18 -0.917 -15.266 16.639 153 HA PRO 19 HA PRO 19 -6.291 -6.698 12.802 154 HB2 PRO 19 2HB PRO 19 -6.867 -5.065 14.893 155 HB3 PRO 19 3HB PRO 19 -7.869 -6.453 14.454 156 HG2 PRO 19 2HG PRO 19 -5.786 -6.221 16.591 157 HG3 PRO 19 3HG PRO 19 -7.384 -6.986 16.665 158 HD2 PRO 19 2HD PRO 19 -5.103 -8.407 16.333 159 HD3 PRO 19 3HD PRO 19 -6.651 -8.907 15.623 160 H HIS 20 H HIS 20 -5.932 -4.262 12.762 161 HA HIS 20 HA HIS 20 -3.144 -3.754 12.543 162 HB2 HIS 20 2HB HIS 20 -5.307 -1.653 12.521 163 HB3 HIS 20 3HB HIS 20 -3.748 -1.616 11.703 164 HD1 HIS 20 HD1 HIS 20 -3.781 -4.248 10.200 165 HD2 HIS 20 HD2 HIS 20 -7.084 -1.742 10.478 166 HE1 HIS 20 HE1 HIS 20 -5.233 -4.828 8.230 167 H TRP 21 H TRP 21 -1.830 -2.368 13.732 168 HA TRP 21 HA TRP 21 -2.877 -1.184 16.175 169 HB2 TRP 21 2HB TRP 21 -2.292 -3.387 16.960 170 HB3 TRP 21 3HB TRP 21 -0.723 -3.306 16.162 171 HD1 TRP 21 HD1 TRP 21 1.103 -1.589 17.263 172 HE1 TRP 21 HE1 TRP 21 1.393 -0.821 19.702 173 HE3 TRP 21 HE3 TRP 21 -3.510 -2.855 19.065 174 HZ2 TRP 21 HZ2 TRP 21 -0.132 -0.760 22.076 175 HZ3 TRP 21 HZ3 TRP 21 -4.015 -2.409 21.432 176 HH2 TRP 21 HH2 TRP 21 -2.359 -1.384 22.905 177 HA PRO 22 HA PRO 22 0.006 1.940 15.004 178 HB2 PRO 22 2HB PRO 22 0.043 3.333 17.334 179 HB3 PRO 22 3HB PRO 22 -1.315 3.387 16.204 180 HG2 PRO 22 2HG PRO 22 -1.006 1.792 18.718 181 HG3 PRO 22 3HG PRO 22 -2.417 2.688 18.128 182 HD2 PRO 22 2HD PRO 22 -2.187 0.002 17.873 183 HD3 PRO 22 3HD PRO 22 -3.040 1.005 16.682 184 H ALA 23 H ALA 23 2.101 1.470 14.776 185 HA ALA 23 HA ALA 23 3.699 1.010 17.199 186 HB1 ALA 23 1HB ALA 23 3.694 -0.647 14.695 187 HB2 ALA 23 2HB ALA 23 5.069 -0.620 15.799 188 HB3 ALA 23 3HB ALA 23 3.493 -1.174 16.366 189 H ARG 24 H ARG 24 6.176 0.899 16.281 190 HA ARG 24 HA ARG 24 6.510 3.321 14.635 191 HB2 ARG 24 2HB ARG 24 7.067 3.863 16.918 192 HB3 ARG 24 3HB ARG 24 8.090 2.439 17.053 193 HG2 ARG 24 2HG ARG 24 8.780 4.350 14.913 194 HG3 ARG 24 3HG ARG 24 9.035 4.892 16.573 195 HD2 ARG 24 2HD ARG 24 10.277 2.729 16.957 196 HD3 ARG 24 3HD ARG 24 10.203 2.473 15.214 197 HE ARG 24 HE ARG 24 11.280 4.950 15.448 198 HH11 ARG 24 1HH1 ARG 24 12.068 1.840 16.800 199 HH12 ARG 24 2HH1 ARG 24 13.766 2.169 16.902 200 HH21 ARG 24 1HH2 ARG 24 13.514 5.395 15.577 201 HH22 ARG 24 2HH2 ARG 24 14.587 4.191 16.206 202 H VAL 25 H VAL 25 8.229 3.368 13.185 203 HA VAL 25 HA VAL 25 9.237 0.730 12.432 204 HB VAL 25 HB VAL 25 9.433 3.343 10.928 205 HG11 VAL 25 1HG1 VAL 25 10.885 2.263 9.638 206 HG12 VAL 25 2HG1 VAL 25 10.647 0.764 10.538 207 HG13 VAL 25 3HG1 VAL 25 9.585 1.160 9.186 208 HG21 VAL 25 3HG2 VAL 25 7.499 1.050 10.605 209 HG22 VAL 25 1HG2 VAL 25 7.115 2.669 11.189 210 HG23 VAL 25 2HG2 VAL 25 7.634 2.434 9.520 211 H ASP 26 H ASP 26 11.355 0.170 12.435 212 HA ASP 26 HA ASP 26 13.212 2.075 13.678 213 HB2 ASP 26 2HB ASP 26 12.650 -0.489 14.400 214 HB3 ASP 26 3HB ASP 26 14.057 -0.734 13.369 215 H GLU 27 H GLU 27 15.494 1.970 12.952 216 HA GLU 27 HA GLU 27 15.597 2.167 10.077 217 HB2 GLU 27 2HB GLU 27 16.833 3.556 12.013 218 HB3 GLU 27 3HB GLU 27 18.083 2.363 11.687 219 HG2 GLU 27 2HG GLU 27 18.230 3.030 9.405 220 HG3 GLU 27 3HG GLU 27 16.813 4.066 9.561 221 H VAL 28 H VAL 28 17.507 1.212 8.898 222 HA VAL 28 HA VAL 28 17.414 -1.606 9.086 223 HB VAL 28 HB VAL 28 19.305 -1.533 7.416 224 HG11 VAL 28 1HG1 VAL 28 17.025 0.247 6.605 225 HG12 VAL 28 2HG1 VAL 28 17.897 -0.939 5.632 226 HG13 VAL 28 3HG1 VAL 28 16.806 -1.475 6.910 227 HG21 VAL 28 3HG2 VAL 28 18.857 1.379 7.087 228 HG22 VAL 28 1HG2 VAL 28 19.910 0.863 8.404 229 HG23 VAL 28 2HG2 VAL 28 20.287 0.406 6.743 230 HA PRO 29 HA PRO 29 20.618 -2.608 11.915 231 HB2 PRO 29 2HB PRO 29 21.594 -4.894 10.822 232 HB3 PRO 29 3HB PRO 29 20.022 -4.808 11.627 233 HG2 PRO 29 2HG PRO 29 20.659 -4.734 8.703 234 HG3 PRO 29 3HG PRO 29 19.368 -5.611 9.545 235 HD2 PRO 29 2HD PRO 29 18.933 -3.279 8.240 236 HD3 PRO 29 3HD PRO 29 18.023 -3.744 9.691 237 H ASP 30 H ASP 30 23.003 -3.321 11.955 238 HA ASP 30 HA ASP 30 24.555 -1.369 10.674 239 HB2 ASP 30 2HB ASP 30 25.637 -3.970 11.754 240 HB3 ASP 30 3HB ASP 30 26.448 -2.408 11.670 241 H GLY 31 H GLY 31 23.422 -4.407 9.575 242 HA2 GLY 31 2HA GLY 31 23.577 -4.611 7.089 243 HA3 GLY 31 3HA GLY 31 25.291 -4.281 7.289 244 H ALA 32 H ALA 32 25.714 -5.896 9.591 245 HA ALA 32 HA ALA 32 25.304 -8.580 8.442 246 HB1 ALA 32 1HB ALA 32 27.454 -9.242 9.239 247 HB2 ALA 32 2HB ALA 32 27.654 -7.737 8.342 248 HB3 ALA 32 3HB ALA 32 27.663 -7.720 10.105 249 H VAL 33 H VAL 33 23.789 -6.960 10.509 250 HA VAL 33 HA VAL 33 24.154 -8.626 12.887 251 HB VAL 33 HB VAL 33 22.176 -6.375 12.628 252 HG11 VAL 33 1HG1 VAL 33 21.892 -6.585 14.844 253 HG12 VAL 33 2HG1 VAL 33 22.591 -8.189 14.616 254 HG13 VAL 33 3HG1 VAL 33 23.610 -6.848 15.140 255 HG21 VAL 33 3HG2 VAL 33 23.932 -4.905 13.607 256 HG22 VAL 33 1HG2 VAL 33 25.108 -6.183 13.302 257 HG23 VAL 33 2HG2 VAL 33 24.271 -5.415 11.953 258 H LYS 34 H LYS 34 23.119 -9.896 10.581 259 HA LYS 34 HA LYS 34 21.419 -11.236 9.877 260 HB2 LYS 34 2HB LYS 34 21.836 -11.903 12.378 261 HB3 LYS 34 3HB LYS 34 20.258 -11.171 12.638 262 HG2 LYS 34 2HG LYS 34 19.343 -12.701 10.894 263 HG3 LYS 34 3HG LYS 34 20.915 -13.505 10.856 264 HD2 LYS 34 2HD LYS 34 20.641 -13.845 13.355 265 HD3 LYS 34 3HD LYS 34 18.964 -13.337 13.142 266 HE2 LYS 34 2HE LYS 34 20.202 -15.575 11.558 267 HE3 LYS 34 3HE LYS 34 19.409 -15.835 13.111 268 HZ1 LYS 34 3HZ LYS 34 18.252 -15.425 10.534 269 HZ2 LYS 34 1HZ LYS 34 17.626 -14.345 11.676 270 HZ3 LYS 34 2HZ LYS 34 17.539 -16.012 11.951 271 HA PRO 35 HA PRO 35 18.487 -7.643 9.635 272 HB2 PRO 35 2HB PRO 35 18.442 -7.563 6.922 273 HB3 PRO 35 3HB PRO 35 19.654 -6.713 7.888 274 HG2 PRO 35 2HG PRO 35 19.868 -9.337 6.462 275 HG3 PRO 35 3HG PRO 35 21.042 -8.010 6.547 276 HD2 PRO 35 2HD PRO 35 21.248 -10.238 8.072 277 HD3 PRO 35 3HD PRO 35 21.797 -8.645 8.630 278 HA PRO 36 HA PRO 36 14.867 -10.001 8.818 279 HB2 PRO 36 2HB PRO 36 13.255 -8.208 7.570 280 HB3 PRO 36 3HB PRO 36 13.639 -8.118 9.293 281 HG2 PRO 36 2HG PRO 36 14.833 -6.602 7.004 282 HG3 PRO 36 3HG PRO 36 14.355 -6.015 8.608 283 HD2 PRO 36 2HD PRO 36 16.927 -6.562 7.965 284 HD3 PRO 36 3HD PRO 36 16.285 -6.785 9.604 285 H THR 37 H THR 37 13.424 -10.843 7.129 286 HA THR 37 HA THR 37 14.832 -11.031 4.556 287 HB THR 37 HB THR 37 12.787 -12.893 5.780 288 HG1 THR 37 HG1 THR 37 14.516 -14.200 6.184 289 HG21 THR 37 3HG2 THR 37 13.572 -12.542 3.062 290 HG22 THR 37 1HG2 THR 37 12.477 -13.743 3.745 291 HG23 THR 37 2HG2 THR 37 14.204 -14.086 3.633 292 H ASN 38 H ASN 38 14.021 -9.301 3.426 293 HA ASN 38 HA ASN 38 12.578 -8.156 2.092 294 HB2 ASN 38 2HB ASN 38 11.501 -10.871 2.185 295 HB3 ASN 38 3HB ASN 38 10.262 -9.658 1.879 296 HD21 ASN 38 1HD2 ASN 38 13.468 -10.702 0.819 297 HD22 ASN 38 2HD2 ASN 38 13.253 -10.268 -0.840 298 H LYS 39 H LYS 39 12.416 -8.138 5.116 299 HA LYS 39 HA LYS 39 9.866 -6.692 5.267 300 HB2 LYS 39 2HB LYS 39 10.893 -8.616 7.363 301 HB3 LYS 39 3HB LYS 39 9.464 -7.603 7.520 302 HG2 LYS 39 2HG LYS 39 8.217 -8.898 6.121 303 HG3 LYS 39 3HG LYS 39 9.618 -9.441 5.194 304 HD2 LYS 39 2HD LYS 39 10.309 -10.769 7.215 305 HD3 LYS 39 3HD LYS 39 8.745 -10.364 7.928 306 HE2 LYS 39 2HE LYS 39 7.574 -11.652 6.416 307 HE3 LYS 39 3HE LYS 39 8.844 -11.563 5.197 308 HZ1 LYS 39 3HZ LYS 39 9.880 -12.855 7.452 309 HZ2 LYS 39 1HZ LYS 39 9.611 -13.496 5.910 310 HZ3 LYS 39 2HZ LYS 39 8.396 -13.578 7.083 311 H LEU 40 H LEU 40 9.825 -5.496 7.524 312 HA LEU 40 HA LEU 40 12.493 -4.376 8.052 313 HB2 LEU 40 2HB LEU 40 11.121 -2.177 8.411 314 HB3 LEU 40 3HB LEU 40 11.675 -2.648 6.806 315 HG LEU 40 HG LEU 40 8.941 -3.466 7.657 316 HD11 LEU 40 1HD1 LEU 40 9.854 -0.717 7.520 317 HD12 LEU 40 2HD1 LEU 40 8.318 -1.374 8.083 318 HD13 LEU 40 3HD1 LEU 40 8.564 -1.054 6.366 319 HD21 LEU 40 3HD2 LEU 40 9.541 -4.278 5.554 320 HD22 LEU 40 1HD2 LEU 40 10.352 -2.779 5.101 321 HD23 LEU 40 2HD2 LEU 40 8.591 -2.836 5.193 322 HA PRO 41 HA PRO 41 11.581 -4.763 12.327 323 HB2 PRO 41 2HB PRO 41 12.779 -2.559 13.366 324 HB3 PRO 41 3HB PRO 41 13.686 -3.944 12.746 325 HG2 PRO 41 2HG PRO 41 13.077 -1.331 11.419 326 HG3 PRO 41 3HG PRO 41 14.595 -2.247 11.442 327 HD2 PRO 41 2HD PRO 41 12.898 -2.293 9.333 328 HD3 PRO 41 3HD PRO 41 13.896 -3.689 9.785 329 H ILE 42 H ILE 42 9.664 -4.490 13.263 330 HA ILE 42 HA ILE 42 8.453 -1.802 13.237 331 HB ILE 42 HB ILE 42 6.922 -4.403 13.241 332 HG12 ILE 42 2HG1 ILE 42 8.081 -4.156 11.110 333 HG13 ILE 42 3HG1 ILE 42 6.358 -3.867 10.894 334 HG21 ILE 42 1HG2 ILE 42 5.251 -3.092 13.902 335 HG22 ILE 42 2HG2 ILE 42 6.214 -1.634 13.666 336 HG23 ILE 42 3HG2 ILE 42 5.323 -2.330 12.313 337 HD11 ILE 42 3HD1 ILE 42 6.846 -1.947 9.924 338 HD12 ILE 42 1HD1 ILE 42 7.529 -1.373 11.445 339 HD13 ILE 42 2HD1 ILE 42 8.562 -2.177 10.262 340 H PHE 43 H PHE 43 8.994 -1.107 15.247 341 HA PHE 43 HA PHE 43 8.863 -2.803 17.554 342 HB2 PHE 43 2HB PHE 43 10.444 -0.859 17.284 343 HB3 PHE 43 3HB PHE 43 9.062 0.211 17.494 344 HD1 PHE 43 HD2 PHE 43 10.359 -2.839 19.217 345 HD2 PHE 43 HD1 PHE 43 8.969 1.169 19.566 346 HE1 PHE 43 HE2 PHE 43 10.646 -2.955 21.658 347 HE2 PHE 43 HE1 PHE 43 9.255 1.059 22.007 348 HZ PHE 43 HZ PHE 43 10.094 -1.005 23.057 349 H PHE 44 H PHE 44 6.926 -3.493 18.215 350 HA PHE 44 HA PHE 44 4.509 -2.053 17.845 351 HB2 PHE 44 2HB PHE 44 5.309 -4.558 19.248 352 HB3 PHE 44 3HB PHE 44 3.767 -3.829 19.683 353 HD1 PHE 44 HD1 PHE 44 2.598 -2.893 17.297 354 HD2 PHE 44 HD2 PHE 44 5.014 -6.352 17.860 355 HE1 PHE 44 HE1 PHE 44 1.549 -3.941 15.334 356 HE2 PHE 44 HE2 PHE 44 3.970 -7.405 15.897 357 HZ PHE 44 HZ PHE 44 2.236 -6.200 14.631 358 H PHE 45 H PHE 45 3.823 -0.353 18.947 359 HA PHE 45 HA PHE 45 5.078 0.436 21.411 360 HB2 PHE 45 2HB PHE 45 3.330 1.656 19.417 361 HB3 PHE 45 3HB PHE 45 2.895 2.102 21.063 362 HD1 PHE 45 HD2 PHE 45 5.943 1.769 18.937 363 HD2 PHE 45 HD1 PHE 45 3.897 3.956 21.962 364 HE1 PHE 45 HE2 PHE 45 7.760 3.428 18.962 365 HE2 PHE 45 HE1 PHE 45 5.710 5.619 21.991 366 HZ PHE 45 HZ PHE 45 7.646 5.356 20.491 367 H GLY 46 H GLY 46 4.195 0.494 23.452 368 HA2 GLY 46 2HA GLY 46 2.508 0.233 25.072 369 HA3 GLY 46 3HA GLY 46 1.467 -0.471 23.843 370 H THR 47 H THR 47 3.341 -2.403 22.881 371 HA THR 47 HA THR 47 3.309 -4.254 25.169 372 HB THR 47 HB THR 47 3.136 -6.077 23.616 373 HG1 THR 47 HG1 THR 47 2.908 -5.377 21.277 374 HG21 THR 47 3HG2 THR 47 1.017 -5.526 22.453 375 HG22 THR 47 1HG2 THR 47 1.271 -3.828 22.853 376 HG23 THR 47 2HG2 THR 47 1.028 -5.010 24.139 377 H HIS 48 H HIS 48 5.378 -2.432 23.301 378 HA HIS 48 HA HIS 48 7.627 -2.411 22.949 379 HB2 HIS 48 2HB HIS 48 7.320 -3.879 25.534 380 HB3 HIS 48 3HB HIS 48 8.915 -3.797 24.792 381 HD1 HIS 48 HD1 HIS 48 6.399 -0.978 24.800 382 HD2 HIS 48 HD2 HIS 48 10.050 -1.982 26.509 383 HE1 HIS 48 HE1 HIS 48 7.189 1.103 25.970 384 H GLU 49 H GLU 49 5.984 -4.556 21.714 385 HA GLU 49 HA GLU 49 7.829 -6.798 21.537 386 HB2 GLU 49 2HB GLU 49 5.188 -6.346 20.137 387 HB3 GLU 49 3HB GLU 49 6.110 -7.842 20.141 388 HG2 GLU 49 2HG GLU 49 5.718 -8.179 22.456 389 HG3 GLU 49 3HG GLU 49 5.050 -6.558 22.641 390 H THR 50 H THR 50 8.036 -7.684 19.165 391 HA THR 50 HA THR 50 8.478 -5.544 17.233 392 HB THR 50 HB THR 50 10.629 -5.526 18.191 393 HG1 THR 50 HG1 THR 50 11.383 -5.692 16.226 394 HG21 THR 50 3HG2 THR 50 10.075 -8.343 18.695 395 HG22 THR 50 1HG2 THR 50 11.134 -7.229 19.558 396 HG23 THR 50 2HG2 THR 50 11.715 -8.060 18.114 397 H ALA 51 H ALA 51 7.772 -6.174 15.307 398 HA ALA 51 HA ALA 51 7.925 -9.023 14.596 399 HB1 ALA 51 1HB ALA 51 5.539 -7.296 13.970 400 HB2 ALA 51 2HB ALA 51 5.711 -9.034 13.723 401 HB3 ALA 51 3HB ALA 51 5.624 -8.380 15.359 402 H PHE 52 H PHE 52 8.594 -9.441 12.564 403 HA PHE 52 HA PHE 52 9.418 -7.175 10.939 404 HB2 PHE 52 2HB PHE 52 9.999 -10.125 10.867 405 HB3 PHE 52 3HB PHE 52 10.421 -9.083 9.512 406 HD1 PHE 52 HD1 PHE 52 11.456 -6.698 10.637 407 HD2 PHE 52 HD2 PHE 52 11.874 -10.690 12.052 408 HE1 PHE 52 HE1 PHE 52 13.550 -6.074 11.768 409 HE2 PHE 52 HE2 PHE 52 13.968 -10.072 13.187 410 HZ PHE 52 HZ PHE 52 14.808 -7.761 13.046 411 H LEU 53 H LEU 53 8.080 -6.366 9.476 412 HA LEU 53 HA LEU 53 6.531 -8.190 7.796 413 HB2 LEU 53 2HB LEU 53 5.272 -5.718 8.946 414 HB3 LEU 53 3HB LEU 53 4.493 -7.038 8.076 415 HG LEU 53 HG LEU 53 5.742 -7.396 10.791 416 HD11 LEU 53 1HD1 LEU 53 3.547 -7.127 11.758 417 HD12 LEU 53 2HD1 LEU 53 2.855 -6.792 10.172 418 HD13 LEU 53 3HD1 LEU 53 3.997 -5.658 10.893 419 HD21 LEU 53 3HD2 LEU 53 4.976 -9.258 8.995 420 HD22 LEU 53 1HD2 LEU 53 3.462 -9.013 9.866 421 HD23 LEU 53 2HD2 LEU 53 4.915 -9.492 10.743 422 H GLY 54 H GLY 54 6.601 -7.645 5.702 423 HA2 GLY 54 2HA GLY 54 8.269 -5.614 4.751 424 HA3 GLY 54 3HA GLY 54 7.076 -6.473 3.788 425 HA PRO 55 HA PRO 55 5.920 -1.943 4.239 426 HB2 PRO 55 2HB PRO 55 5.941 -1.370 1.585 427 HB3 PRO 55 3HB PRO 55 7.372 -1.222 2.611 428 HG2 PRO 55 2HG PRO 55 6.595 -3.436 0.752 429 HG3 PRO 55 3HG PRO 55 8.182 -2.683 0.994 430 HD2 PRO 55 2HD PRO 55 7.513 -5.059 2.106 431 HD3 PRO 55 3HD PRO 55 8.617 -3.914 2.894 432 H LYS 56 H LYS 56 4.938 -4.463 1.964 433 HA LYS 56 HA LYS 56 2.381 -3.338 1.397 434 HB2 LYS 56 2HB LYS 56 3.686 -5.990 0.915 435 HB3 LYS 56 3HB LYS 56 1.953 -5.821 0.667 436 HG2 LYS 56 2HG LYS 56 3.796 -3.857 -0.606 437 HG3 LYS 56 3HG LYS 56 3.628 -5.469 -1.306 438 HD2 LYS 56 2HD LYS 56 1.168 -3.933 -0.614 439 HD3 LYS 56 3HD LYS 56 2.068 -3.493 -2.067 440 HE2 LYS 56 2HE LYS 56 1.068 -6.266 -1.431 441 HE3 LYS 56 3HE LYS 56 0.245 -5.120 -2.488 442 HZ1 LYS 56 3HZ LYS 56 2.618 -6.718 -2.979 443 HZ2 LYS 56 1HZ LYS 56 2.671 -5.134 -3.571 444 HZ3 LYS 56 2HZ LYS 56 1.433 -6.178 -4.058 445 H ASP 57 H ASP 57 3.625 -4.828 4.123 446 HA ASP 57 HA ASP 57 1.042 -5.921 4.967 447 HB2 ASP 57 2HB ASP 57 3.866 -6.332 5.789 448 HB3 ASP 57 3HB ASP 57 2.645 -6.470 7.051 449 H ILE 58 H ILE 58 3.276 -3.324 5.608 450 HA ILE 58 HA ILE 58 1.767 -2.461 7.952 451 HB ILE 58 HB ILE 58 3.492 -0.660 8.097 452 HG12 ILE 58 2HG1 ILE 58 4.854 -2.218 5.891 453 HG13 ILE 58 3HG1 ILE 58 4.053 -0.667 5.662 454 HG21 ILE 58 1HG2 ILE 58 4.335 -2.144 9.520 455 HG22 ILE 58 2HG2 ILE 58 3.820 -3.493 8.509 456 HG23 ILE 58 3HG2 ILE 58 5.373 -2.713 8.213 457 HD11 ILE 58 3HD1 ILE 58 5.647 0.456 6.982 458 HD12 ILE 58 1HD1 ILE 58 6.313 -1.056 7.597 459 HD13 ILE 58 2HD1 ILE 58 6.555 -0.608 5.908 460 H PHE 59 H PHE 59 0.450 -0.718 8.010 461 HA PHE 59 HA PHE 59 0.113 0.792 5.502 462 HB2 PHE 59 2HB PHE 59 -1.852 -0.488 7.304 463 HB3 PHE 59 3HB PHE 59 -2.283 1.117 6.722 464 HD1 PHE 59 HD1 PHE 59 -1.045 -2.168 5.475 465 HD2 PHE 59 HD2 PHE 59 -3.353 1.322 4.693 466 HE1 PHE 59 HE1 PHE 59 -1.803 -3.149 3.349 467 HE2 PHE 59 HE2 PHE 59 -4.116 0.346 2.567 468 HZ PHE 59 HZ PHE 59 -3.341 -1.892 1.893 469 HA PRO 60 HA PRO 60 0.737 4.569 7.642 470 HB2 PRO 60 2HB PRO 60 -1.129 6.201 6.536 471 HB3 PRO 60 3HB PRO 60 0.310 5.659 5.665 472 HG2 PRO 60 2HG PRO 60 -2.490 4.607 5.538 473 HG3 PRO 60 3HG PRO 60 -1.348 4.909 4.216 474 HD2 PRO 60 2HD PRO 60 -1.790 2.434 5.222 475 HD3 PRO 60 3HD PRO 60 -0.214 2.935 4.576 476 H TYR 61 H TYR 61 0.224 5.261 9.620 477 HA TYR 61 HA TYR 61 -2.070 4.362 10.990 478 HB2 TYR 61 2HB TYR 61 -1.074 5.216 12.841 479 HB3 TYR 61 3HB TYR 61 0.322 5.344 11.776 480 HD1 TYR 61 HD2 TYR 61 0.679 7.576 10.563 481 HD2 TYR 61 HD1 TYR 61 -1.953 7.120 13.875 482 HE1 TYR 61 HE2 TYR 61 0.761 10.003 10.955 483 HE2 TYR 61 HE1 TYR 61 -1.880 9.546 14.275 484 HH TYR 61 HH TYR 61 -1.384 11.653 12.716 485 H SER 62 H SER 62 -1.622 6.943 8.845 486 HA SER 62 HA SER 62 -3.491 8.795 9.917 487 HB2 SER 62 2HB SER 62 -1.654 9.146 8.102 488 HB3 SER 62 3HB SER 62 -2.894 8.589 6.979 489 HG SER 62 HG SER 62 -2.672 10.973 7.549 490 H GLU 63 H GLU 63 -3.828 5.828 8.266 491 HA GLU 63 HA GLU 63 -6.545 6.433 7.378 492 HB2 GLU 63 2HB GLU 63 -4.575 4.266 6.809 493 HB3 GLU 63 3HB GLU 63 -6.286 3.906 6.626 494 HG2 GLU 63 2HG GLU 63 -6.476 5.849 5.096 495 HG3 GLU 63 3HG GLU 63 -4.728 6.049 5.203 496 H ASN 64 H ASN 64 -4.800 4.584 9.772 497 HA ASN 64 HA ASN 64 -7.165 3.172 10.664 498 HB2 ASN 64 2HB ASN 64 -4.365 3.287 11.806 499 HB3 ASN 64 3HB ASN 64 -5.653 2.244 12.401 500 HD21 ASN 64 1HD2 ASN 64 -3.640 2.970 9.614 501 HD22 ASN 64 2HD2 ASN 64 -3.727 1.394 8.910 502 H LYS 65 H LYS 65 -5.091 5.803 11.789 503 HA LYS 65 HA LYS 65 -6.193 6.206 14.310 504 HB2 LYS 65 2HB LYS 65 -5.190 8.352 14.279 505 HB3 LYS 65 3HB LYS 65 -4.147 7.321 13.310 506 HG2 LYS 65 2HG LYS 65 -5.095 8.229 11.272 507 HG3 LYS 65 3HG LYS 65 -6.214 9.218 12.214 508 HD2 LYS 65 2HD LYS 65 -3.980 10.074 13.326 509 HD3 LYS 65 3HD LYS 65 -3.279 9.526 11.802 510 HE2 LYS 65 2HE LYS 65 -3.810 11.795 11.471 511 HE3 LYS 65 3HE LYS 65 -5.083 10.891 10.652 512 HZ1 LYS 65 3HZ LYS 65 -5.973 11.261 13.231 513 HZ2 LYS 65 1HZ LYS 65 -6.520 12.059 11.844 514 HZ3 LYS 65 2HZ LYS 65 -5.297 12.747 12.787 515 H GLU 66 H GLU 66 -7.436 7.003 11.164 516 HA GLU 66 HA GLU 66 -9.480 8.772 12.203 517 HB2 GLU 66 2HB GLU 66 -10.209 8.985 9.900 518 HB3 GLU 66 3HB GLU 66 -8.463 9.172 9.988 519 HG2 GLU 66 2HG GLU 66 -8.069 7.089 9.018 520 HG3 GLU 66 3HG GLU 66 -9.711 6.531 9.334 521 H LYS 67 H LYS 67 -9.077 5.428 11.646 522 HA LYS 67 HA LYS 67 -11.828 4.765 11.225 523 HB2 LYS 67 2HB LYS 67 -9.429 3.113 12.020 524 HB3 LYS 67 3HB LYS 67 -11.029 2.427 11.772 525 HG2 LYS 67 2HG LYS 67 -9.877 4.086 9.598 526 HG3 LYS 67 3HG LYS 67 -9.214 2.471 9.858 527 HD2 LYS 67 2HD LYS 67 -12.174 2.827 9.726 528 HD3 LYS 67 3HD LYS 67 -11.237 2.841 8.230 529 HE2 LYS 67 2HE LYS 67 -10.594 0.643 8.456 530 HE3 LYS 67 3HE LYS 67 -10.777 0.659 10.209 531 HZ1 LYS 67 3HZ LYS 67 -13.295 1.088 9.372 532 HZ2 LYS 67 1HZ LYS 67 -12.666 -0.429 9.780 533 HZ3 LYS 67 2HZ LYS 67 -12.718 0.057 8.161 534 H TYR 68 H TYR 68 -9.661 4.121 13.989 535 HA TYR 68 HA TYR 68 -11.963 4.527 15.774 536 HB2 TYR 68 2HB TYR 68 -9.983 2.498 16.617 537 HB3 TYR 68 3HB TYR 68 -11.732 2.520 16.817 538 HD1 TYR 68 HD2 TYR 68 -13.198 1.744 14.983 539 HD2 TYR 68 HD1 TYR 68 -8.962 1.420 14.739 540 HE1 TYR 68 HE2 TYR 68 -13.433 0.126 13.146 541 HE2 TYR 68 HE1 TYR 68 -9.186 -0.198 12.901 542 HH TYR 68 HH TYR 68 -11.703 -1.894 12.239 543 H GLY 69 H GLY 69 -8.584 4.865 15.129 544 HA2 GLY 69 2HA GLY 69 -7.056 6.320 16.066 545 HA3 GLY 69 3HA GLY 69 -8.326 6.894 17.137 546 H LYS 70 H LYS 70 -8.661 3.865 17.795 547 HA LYS 70 HA LYS 70 -6.274 3.392 19.381 548 HB2 LYS 70 2HB LYS 70 -7.160 3.675 21.458 549 HB3 LYS 70 3HB LYS 70 -8.159 4.845 20.606 550 HG2 LYS 70 2HG LYS 70 -9.841 2.976 20.300 551 HG3 LYS 70 3HG LYS 70 -8.884 2.063 21.469 552 HD2 LYS 70 2HD LYS 70 -9.200 3.832 23.121 553 HD3 LYS 70 3HD LYS 70 -10.130 4.770 21.950 554 HE2 LYS 70 2HE LYS 70 -10.955 1.980 22.647 555 HE3 LYS 70 3HE LYS 70 -11.370 3.319 23.715 556 HZ1 LYS 70 3HZ LYS 70 -12.886 4.100 22.280 557 HZ2 LYS 70 1HZ LYS 70 -12.862 2.533 21.642 558 HZ3 LYS 70 2HZ LYS 70 -11.951 3.757 20.913 559 HA PRO 71 HA PRO 71 -7.223 -0.838 18.706 560 HB2 PRO 71 2HB PRO 71 -6.379 -2.001 21.010 561 HB3 PRO 71 3HB PRO 71 -5.268 -1.353 19.798 562 HG2 PRO 71 2HG PRO 71 -6.215 -0.116 22.354 563 HG3 PRO 71 3HG PRO 71 -4.581 -0.147 21.663 564 HD2 PRO 71 2HD PRO 71 -6.204 2.012 21.470 565 HD3 PRO 71 3HD PRO 71 -5.026 1.587 20.211 566 H ASN 72 H ASN 72 -8.810 -2.356 19.013 567 HA ASN 72 HA ASN 72 -10.913 -1.637 20.917 568 HB2 ASN 72 2HB ASN 72 -10.858 -2.780 18.250 569 HB3 ASN 72 3HB ASN 72 -11.830 -3.757 19.346 570 HD21 ASN 72 1HD2 ASN 72 -13.686 -2.892 20.250 571 HD22 ASN 72 2HD2 ASN 72 -14.420 -1.449 19.645 572 H LYS 73 H LYS 73 -9.367 -4.618 19.711 573 HA LYS 73 HA LYS 73 -9.739 -5.775 22.397 574 HB2 LYS 73 2HB LYS 73 -9.785 -7.188 19.724 575 HB3 LYS 73 3HB LYS 73 -9.867 -7.989 21.288 576 HG2 LYS 73 2HG LYS 73 -11.988 -7.022 21.761 577 HG3 LYS 73 3HG LYS 73 -11.878 -5.954 20.361 578 HD2 LYS 73 2HD LYS 73 -13.243 -7.610 19.537 579 HD3 LYS 73 3HD LYS 73 -11.659 -8.213 19.045 580 HE2 LYS 73 2HE LYS 73 -12.616 -10.093 19.980 581 HE3 LYS 73 3HE LYS 73 -11.708 -9.434 21.340 582 HZ1 LYS 73 3HZ LYS 73 -13.740 -9.846 22.285 583 HZ2 LYS 73 1HZ LYS 73 -14.611 -9.462 20.887 584 HZ3 LYS 73 2HZ LYS 73 -13.938 -8.229 21.828 585 H ARG 74 H ARG 74 -7.469 -4.243 21.454 586 HA ARG 74 HA ARG 74 -5.396 -6.337 21.478 587 HB2 ARG 74 2HB ARG 74 -5.347 -3.573 20.261 588 HB3 ARG 74 3HB ARG 74 -3.915 -4.576 20.448 589 HG2 ARG 74 2HG ARG 74 -6.328 -5.559 18.969 590 HG3 ARG 74 3HG ARG 74 -5.093 -4.572 18.183 591 HD2 ARG 74 2HD ARG 74 -4.240 -6.958 19.748 592 HD3 ARG 74 3HD ARG 74 -4.967 -7.204 18.160 593 HE ARG 74 HE ARG 74 -3.042 -5.294 17.774 594 HH11 ARG 74 1HH1 ARG 74 -3.112 -8.547 19.013 595 HH12 ARG 74 2HH1 ARG 74 -1.499 -8.916 18.500 596 HH21 ARG 74 1HH2 ARG 74 -0.916 -5.768 17.094 597 HH22 ARG 74 2HH2 ARG 74 -0.251 -7.334 17.410 598 H LYS 75 H LYS 75 -4.279 -6.472 23.299 599 HA LYS 75 HA LYS 75 -4.601 -4.774 25.488 600 HB2 LYS 75 2HB LYS 75 -2.863 -6.012 26.546 601 HB3 LYS 75 3HB LYS 75 -3.732 -7.142 25.515 602 HG2 LYS 75 2HG LYS 75 -1.898 -6.579 23.774 603 HG3 LYS 75 3HG LYS 75 -0.997 -5.992 25.174 604 HD2 LYS 75 2HD LYS 75 -2.263 -8.683 25.324 605 HD3 LYS 75 3HD LYS 75 -0.798 -8.495 24.358 606 HE2 LYS 75 2HE LYS 75 0.030 -7.232 26.532 607 HE3 LYS 75 3HE LYS 75 -1.193 -8.246 27.295 608 HZ1 LYS 75 3HZ LYS 75 0.914 -9.340 25.522 609 HZ2 LYS 75 1HZ LYS 75 -0.107 -10.190 26.571 610 HZ3 LYS 75 2HZ LYS 75 1.111 -9.197 27.196 611 H GLY 76 H GLY 76 -3.306 -3.172 26.408 612 HA2 GLY 76 2HA GLY 76 -1.296 -1.833 26.425 613 HA3 GLY 76 3HA GLY 76 -1.162 -2.098 24.693 614 H PHE 77 H PHE 77 -4.345 -1.585 25.227 615 HA PHE 77 HA PHE 77 -4.488 0.842 23.905 616 HB2 PHE 77 2HB PHE 77 -6.803 0.945 24.597 617 HB3 PHE 77 3HB PHE 77 -6.391 -0.730 24.245 618 HD1 PHE 77 HD1 PHE 77 -6.259 -2.377 26.010 619 HD2 PHE 77 HD2 PHE 77 -7.263 1.672 26.853 620 HE1 PHE 77 HE1 PHE 77 -7.056 -3.043 28.241 621 HE2 PHE 77 HE2 PHE 77 -8.061 1.014 29.085 622 HZ PHE 77 HZ PHE 77 -7.958 -1.346 29.782 623 H ASN 78 H ASN 78 -4.409 2.946 24.474 624 HA ASN 78 HA ASN 78 -4.043 4.820 25.709 625 HB2 ASN 78 2HB ASN 78 -5.828 3.226 27.275 626 HB3 ASN 78 3HB ASN 78 -4.681 4.010 28.359 627 HD21 ASN 78 1HD2 ASN 78 -4.226 6.394 27.323 628 HD22 ASN 78 2HD2 ASN 78 -5.680 7.317 27.181 629 H GLU 79 H GLU 79 -2.098 2.485 25.573 630 HA GLU 79 HA GLU 79 -0.350 3.392 27.764 631 HB2 GLU 79 2HB GLU 79 -0.215 0.636 26.558 632 HB3 GLU 79 3HB GLU 79 0.522 1.210 28.047 633 HG2 GLU 79 2HG GLU 79 -2.041 1.634 28.657 634 HG3 GLU 79 3HG GLU 79 -2.235 0.299 27.521 635 H GLY 80 H GLY 80 -0.053 4.918 25.730 636 HA2 GLY 80 2HA GLY 80 2.129 5.506 24.765 637 HA3 GLY 80 3HA GLY 80 2.253 3.836 24.232 638 H LEU 81 H LEU 81 -0.898 4.845 23.874 639 HA LEU 81 HA LEU 81 -0.709 4.847 21.027 640 HB2 LEU 81 2HB LEU 81 -2.659 3.927 22.059 641 HB3 LEU 81 3HB LEU 81 -2.978 5.433 22.917 642 HG LEU 81 HG LEU 81 -3.070 6.242 20.309 643 HD11 LEU 81 1HD1 LEU 81 -4.175 4.685 18.971 644 HD12 LEU 81 2HD1 LEU 81 -4.547 3.633 20.337 645 HD13 LEU 81 3HD1 LEU 81 -2.891 3.750 19.740 646 HD21 LEU 81 3HD2 LEU 81 -5.405 5.173 21.886 647 HD22 LEU 81 1HD2 LEU 81 -5.436 6.419 20.639 648 HD23 LEU 81 2HD2 LEU 81 -4.638 6.734 22.180 649 H TRP 82 H TRP 82 -0.951 7.310 23.498 650 HA TRP 82 HA TRP 82 -1.434 9.433 21.596 651 HB2 TRP 82 2HB TRP 82 -2.440 9.794 23.702 652 HB3 TRP 82 3HB TRP 82 -0.973 9.354 24.571 653 HD1 TRP 82 HD1 TRP 82 -2.570 12.269 22.676 654 HE1 TRP 82 HE1 TRP 82 -1.269 14.421 23.228 655 HE3 TRP 82 HE3 TRP 82 1.314 10.219 25.291 656 HZ2 TRP 82 HZ2 TRP 82 1.092 15.151 24.591 657 HZ3 TRP 82 HZ3 TRP 82 3.053 11.714 26.185 658 HH2 TRP 82 HH2 TRP 82 2.942 14.128 25.841 659 H GLU 83 H GLU 83 1.271 7.806 22.902 660 HA GLU 83 HA GLU 83 3.129 9.988 22.511 661 HB2 GLU 83 2HB GLU 83 3.395 7.119 23.358 662 HB3 GLU 83 3HB GLU 83 4.816 8.061 22.928 663 HG2 GLU 83 2HG GLU 83 4.377 9.637 24.676 664 HG3 GLU 83 3HG GLU 83 2.831 8.871 25.037 665 H ILE 84 H ILE 84 1.781 7.458 20.640 666 HA ILE 84 HA ILE 84 3.739 6.789 18.834 667 HB ILE 84 HB ILE 84 1.399 5.886 18.879 668 HG12 ILE 84 2HG1 ILE 84 2.563 6.794 16.241 669 HG13 ILE 84 3HG1 ILE 84 2.863 5.269 17.067 670 HG21 ILE 84 1HG2 ILE 84 -0.389 7.006 17.870 671 HG22 ILE 84 2HG2 ILE 84 0.405 8.242 18.844 672 HG23 ILE 84 3HG2 ILE 84 0.669 8.190 17.101 673 HD11 ILE 84 3HD1 ILE 84 0.771 5.986 15.227 674 HD12 ILE 84 1HD1 ILE 84 1.264 4.398 15.812 675 HD13 ILE 84 2HD1 ILE 84 0.110 5.359 16.736 676 H ASP 85 H ASP 85 1.935 9.774 19.075 677 HA ASP 85 HA ASP 85 3.317 10.796 16.687 678 HB2 ASP 85 2HB ASP 85 0.661 10.870 17.188 679 HB3 ASP 85 3HB ASP 85 1.150 12.402 17.906 680 H ASN 86 H ASN 86 2.748 11.313 20.099 681 HA ASN 86 HA ASN 86 4.141 13.835 20.167 682 HB2 ASN 86 2HB ASN 86 2.974 12.025 22.270 683 HB3 ASN 86 3HB ASN 86 3.966 13.413 22.708 684 HD21 ASN 86 1HD2 ASN 86 1.052 12.428 21.007 685 HD22 ASN 86 2HD2 ASN 86 0.216 13.928 21.191 686 H ASN 87 H ASN 87 4.770 10.780 21.900 687 HA ASN 87 HA ASN 87 7.650 11.338 21.628 688 HB2 ASN 87 2HB ASN 87 6.540 11.242 23.961 689 HB3 ASN 87 3HB ASN 87 6.466 9.502 23.698 690 HD21 ASN 87 1HD2 ASN 87 8.906 11.973 22.976 691 HD22 ASN 87 2HD2 ASN 87 10.198 11.184 23.809 692 HA PRO 88 HA PRO 88 6.803 7.565 19.079 693 HB2 PRO 88 2HB PRO 88 8.454 8.292 17.050 694 HB3 PRO 88 3HB PRO 88 6.767 8.812 17.150 695 HG2 PRO 88 2HG PRO 88 9.255 10.295 17.907 696 HG3 PRO 88 3HG PRO 88 7.824 10.881 17.040 697 HD2 PRO 88 2HD PRO 88 8.229 11.361 19.674 698 HD3 PRO 88 3HD PRO 88 6.608 11.159 18.978 699 H LYS 89 H LYS 89 9.449 8.992 20.641 700 HA LYS 89 HA LYS 89 11.087 6.583 20.189 701 HB2 LYS 89 2HB LYS 89 12.155 9.285 21.002 702 HB3 LYS 89 3HB LYS 89 13.069 7.886 20.454 703 HG2 LYS 89 2HG LYS 89 11.842 8.140 18.245 704 HG3 LYS 89 3HG LYS 89 11.322 9.718 18.842 705 HD2 LYS 89 2HD LYS 89 14.219 8.948 18.865 706 HD3 LYS 89 3HD LYS 89 13.462 9.566 17.395 707 HE2 LYS 89 2HE LYS 89 14.290 11.494 18.363 708 HE3 LYS 89 3HE LYS 89 12.624 11.477 18.940 709 HZ1 LYS 89 3HZ LYS 89 14.391 10.058 20.682 710 HZ2 LYS 89 1HZ LYS 89 13.302 11.303 21.035 711 HZ3 LYS 89 2HZ LYS 89 14.859 11.672 20.489 712 H VAL 90 H VAL 90 9.034 6.777 22.149 713 HA VAL 90 HA VAL 90 10.113 7.426 24.702 714 HB VAL 90 HB VAL 90 7.675 7.354 24.217 715 HG11 VAL 90 1HG1 VAL 90 8.004 5.099 22.942 716 HG12 VAL 90 2HG1 VAL 90 7.740 4.387 24.535 717 HG13 VAL 90 3HG1 VAL 90 6.502 5.415 23.811 718 HG21 VAL 90 3HG2 VAL 90 7.477 7.249 26.426 719 HG22 VAL 90 1HG2 VAL 90 7.585 5.489 26.361 720 HG23 VAL 90 2HG2 VAL 90 9.050 6.457 26.529 721 H LYS 91 H LYS 91 10.393 4.710 22.633 722 HA LYS 91 HA LYS 91 10.717 2.579 24.354 723 HB2 LYS 91 2HB LYS 91 12.074 1.546 22.637 724 HB3 LYS 91 3HB LYS 91 10.751 2.425 21.882 725 HG2 LYS 91 2HG LYS 91 12.386 3.181 20.540 726 HG3 LYS 91 3HG LYS 91 12.645 4.332 21.853 727 HD2 LYS 91 2HD LYS 91 14.520 3.225 22.628 728 HD3 LYS 91 3HD LYS 91 14.038 1.688 21.907 729 HE2 LYS 91 2HE LYS 91 14.638 2.421 19.733 730 HE3 LYS 91 3HE LYS 91 14.809 4.092 20.269 731 HZ1 LYS 91 3HZ LYS 91 16.944 2.907 19.951 732 HZ2 LYS 91 1HZ LYS 91 16.527 1.865 21.216 733 HZ3 LYS 91 2HZ LYS 91 16.741 3.515 21.517 734 H PHE 92 H PHE 92 12.879 5.246 23.721 735 HA PHE 92 HA PHE 92 15.161 4.072 24.988 736 HB2 PHE 92 2HB PHE 92 15.083 5.998 23.253 737 HB3 PHE 92 3HB PHE 92 14.758 7.031 24.641 738 HD1 PHE 92 HD1 PHE 92 17.227 4.852 23.025 739 HD2 PHE 92 HD2 PHE 92 16.466 7.538 26.239 740 HE1 PHE 92 HE1 PHE 92 19.641 4.983 23.484 741 HE2 PHE 92 HE2 PHE 92 18.878 7.673 26.702 742 HZ PHE 92 HZ PHE 92 20.470 6.395 25.323 743 H SER 93 H SER 93 15.360 3.740 27.091 744 HA SER 93 HA SER 93 14.169 5.689 28.949 745 HB2 SER 93 2HB SER 93 13.023 3.332 28.697 746 HB3 SER 93 3HB SER 93 14.360 2.799 29.715 747 HG SER 93 HG SER 93 12.186 4.406 30.327 Start of MODEL 5 1 H MET 1 H MET 1 1.692 -1.427 0.854 2 HA MET 1 HA MET 1 2.167 -0.593 -1.931 3 HB2 MET 1 2HB MET 1 3.179 0.794 0.551 4 HB3 MET 1 3HB MET 1 3.203 1.400 -1.100 5 HG2 MET 1 2HG MET 1 0.618 1.165 -0.934 6 HG3 MET 1 3HG MET 1 0.920 1.178 0.802 7 HE1 MET 1 3HE MET 1 -0.844 3.929 -0.593 8 HE2 MET 1 1HE MET 1 0.241 4.540 -1.842 9 HE3 MET 1 2HE MET 1 -0.243 2.845 -1.847 10 H THR 2 H THR 2 4.310 -0.562 -2.716 11 HA THR 2 HA THR 2 6.012 -2.579 -1.470 12 HB THR 2 HB THR 2 7.362 -2.048 -3.697 13 HG1 THR 2 HG1 THR 2 6.287 -0.808 -5.020 14 HG21 THR 2 3HG2 THR 2 6.621 -4.224 -3.471 15 HG22 THR 2 1HG2 THR 2 5.675 -3.681 -4.856 16 HG23 THR 2 2HG2 THR 2 4.940 -3.741 -3.254 17 H ARG 3 H ARG 3 5.885 0.836 -2.048 18 HA ARG 3 HA ARG 3 8.545 1.572 -1.940 19 HB2 ARG 3 2HB ARG 3 6.120 2.960 -0.793 20 HB3 ARG 3 3HB ARG 3 7.709 3.705 -0.903 21 HG2 ARG 3 2HG ARG 3 7.464 2.992 -3.439 22 HG3 ARG 3 3HG ARG 3 5.748 3.087 -3.037 23 HD2 ARG 3 2HD ARG 3 6.257 5.381 -2.073 24 HD3 ARG 3 3HD ARG 3 7.826 5.254 -2.868 25 HE ARG 3 HE ARG 3 5.878 4.724 -4.781 26 HH11 ARG 3 1HH1 ARG 3 6.907 7.373 -2.769 27 HH12 ARG 3 2HH1 ARG 3 6.391 8.593 -3.886 28 HH21 ARG 3 1HH2 ARG 3 5.194 6.321 -6.259 29 HH22 ARG 3 2HH2 ARG 3 5.416 7.993 -5.870 30 H ASP 4 H ASP 4 9.896 2.303 -0.226 31 HA ASP 4 HA ASP 4 9.574 0.720 2.195 32 HB2 ASP 4 2HB ASP 4 11.900 1.348 2.667 33 HB3 ASP 4 3HB ASP 4 11.740 0.674 1.048 34 H PHE 5 H PHE 5 10.068 1.702 4.311 35 HA PHE 5 HA PHE 5 8.908 4.401 4.479 36 HB2 PHE 5 2HB PHE 5 8.718 1.982 6.207 37 HB3 PHE 5 3HB PHE 5 8.661 3.556 6.993 38 HD1 PHE 5 HD2 PHE 5 6.864 5.160 6.404 39 HD2 PHE 5 HD1 PHE 5 6.882 1.151 4.974 40 HE1 PHE 5 HE2 PHE 5 4.475 5.351 5.848 41 HE2 PHE 5 HE1 PHE 5 4.493 1.336 4.415 42 HZ PHE 5 HZ PHE 5 3.286 3.438 4.852 43 H LYS 6 H LYS 6 9.603 5.415 6.744 44 HA LYS 6 HA LYS 6 12.547 5.383 6.753 45 HB2 LYS 6 2HB LYS 6 10.528 7.547 7.074 46 HB3 LYS 6 3HB LYS 6 12.023 7.688 7.990 47 HG2 LYS 6 2HG LYS 6 13.311 7.958 6.116 48 HG3 LYS 6 3HG LYS 6 12.176 7.091 5.078 49 HD2 LYS 6 2HD LYS 6 11.522 9.755 6.312 50 HD3 LYS 6 3HD LYS 6 12.336 9.609 4.752 51 HE2 LYS 6 2HE LYS 6 10.430 8.193 3.980 52 HE3 LYS 6 3HE LYS 6 9.609 8.559 5.496 53 HZ1 LYS 6 3HZ LYS 6 10.501 10.946 4.277 54 HZ2 LYS 6 1HZ LYS 6 8.922 10.477 4.665 55 HZ3 LYS 6 2HZ LYS 6 9.585 10.055 3.168 56 HA PRO 7 HA PRO 7 12.716 4.109 10.948 57 HB2 PRO 7 2HB PRO 7 14.738 5.624 11.942 58 HB3 PRO 7 3HB PRO 7 15.003 4.289 10.814 59 HG2 PRO 7 2HG PRO 7 14.871 7.230 10.270 60 HG3 PRO 7 3HG PRO 7 16.002 6.024 9.631 61 HD2 PRO 7 2HD PRO 7 13.882 6.929 8.211 62 HD3 PRO 7 3HD PRO 7 14.505 5.274 8.047 63 H GLY 8 H GLY 8 11.148 4.571 12.361 64 HA2 GLY 8 2HA GLY 8 10.314 5.752 14.223 65 HA3 GLY 8 3HA GLY 8 11.161 7.187 13.663 66 H ASP 9 H ASP 9 9.208 5.310 11.482 67 HA ASP 9 HA ASP 9 7.436 7.601 11.148 68 HB2 ASP 9 2HB ASP 9 8.243 5.283 9.496 69 HB3 ASP 9 3HB ASP 9 6.580 5.826 9.292 70 H LEU 10 H LEU 10 5.258 7.579 11.513 71 HA LEU 10 HA LEU 10 4.282 5.545 13.316 72 HB2 LEU 10 2HB LEU 10 2.940 7.997 12.188 73 HB3 LEU 10 3HB LEU 10 2.271 6.959 13.445 74 HG LEU 10 HG LEU 10 3.105 8.803 14.602 75 HD11 LEU 10 1HD1 LEU 10 5.594 7.240 14.864 76 HD12 LEU 10 2HD1 LEU 10 4.086 6.369 15.139 77 HD13 LEU 10 3HD1 LEU 10 4.465 7.799 16.098 78 HD21 LEU 10 3HD2 LEU 10 5.050 9.995 14.133 79 HD22 LEU 10 1HD2 LEU 10 4.431 9.572 12.537 80 HD23 LEU 10 2HD2 LEU 10 5.768 8.658 13.234 81 H ILE 11 H ILE 11 3.680 3.671 12.422 82 HA ILE 11 HA ILE 11 1.594 3.740 10.379 83 HB ILE 11 HB ILE 11 2.682 1.937 9.083 84 HG12 ILE 11 2HG1 ILE 11 5.310 1.965 9.529 85 HG13 ILE 11 3HG1 ILE 11 4.777 2.336 11.165 86 HG21 ILE 11 1HG2 ILE 11 2.951 4.518 8.723 87 HG22 ILE 11 2HG2 ILE 11 4.635 4.187 9.126 88 HG23 ILE 11 3HG2 ILE 11 3.881 3.375 7.754 89 HD11 ILE 11 3HD1 ILE 11 4.862 -0.176 9.818 90 HD12 ILE 11 1HD1 ILE 11 4.478 0.176 11.503 91 HD13 ILE 11 2HD1 ILE 11 3.201 0.188 10.286 92 H PHE 12 H PHE 12 0.179 2.017 10.450 93 HA PHE 12 HA PHE 12 0.167 0.524 12.919 94 HB2 PHE 12 2HB PHE 12 -1.755 1.042 10.715 95 HB3 PHE 12 3HB PHE 12 -1.966 -0.456 11.615 96 HD1 PHE 12 HD1 PHE 12 -1.078 3.054 12.530 97 HD2 PHE 12 HD2 PHE 12 -3.623 -0.294 13.183 98 HE1 PHE 12 HE1 PHE 12 -2.245 4.293 14.307 99 HE2 PHE 12 HE2 PHE 12 -4.796 0.940 14.960 100 HZ PHE 12 HZ PHE 12 -4.108 3.236 15.523 101 H ALA 13 H ALA 13 1.279 -1.296 13.124 102 HA ALA 13 HA ALA 13 2.096 -2.843 10.836 103 HB1 ALA 13 1HB ALA 13 3.780 -3.239 12.229 104 HB2 ALA 13 2HB ALA 13 2.868 -2.613 13.604 105 HB3 ALA 13 3HB ALA 13 2.701 -4.304 13.130 106 H LYS 14 H LYS 14 1.072 -4.530 9.986 107 HA LYS 14 HA LYS 14 -1.161 -5.711 11.495 108 HB2 LYS 14 2HB LYS 14 -1.954 -4.742 9.466 109 HB3 LYS 14 3HB LYS 14 -0.649 -5.463 8.533 110 HG2 LYS 14 2HG LYS 14 -2.801 -6.582 8.171 111 HG3 LYS 14 3HG LYS 14 -1.584 -7.666 8.850 112 HD2 LYS 14 2HD LYS 14 -2.635 -7.783 10.892 113 HD3 LYS 14 3HD LYS 14 -3.414 -6.211 10.702 114 HE2 LYS 14 2HE LYS 14 -5.055 -7.996 10.563 115 HE3 LYS 14 3HE LYS 14 -4.911 -7.169 9.013 116 HZ1 LYS 14 3HZ LYS 14 -3.850 -8.959 8.058 117 HZ2 LYS 14 1HZ LYS 14 -4.954 -9.732 9.080 118 HZ3 LYS 14 2HZ LYS 14 -3.331 -9.598 9.536 119 H MET 15 H MET 15 -0.449 -7.476 12.528 120 HA MET 15 HA MET 15 1.508 -9.225 11.272 121 HB2 MET 15 2HB MET 15 0.495 -8.784 14.006 122 HB3 MET 15 3HB MET 15 0.874 -10.456 13.613 123 HG2 MET 15 2HG MET 15 3.107 -9.454 12.732 124 HG3 MET 15 3HG MET 15 2.679 -8.090 13.763 125 HE1 MET 15 3HE MET 15 3.616 -11.717 13.410 126 HE2 MET 15 1HE MET 15 3.844 -12.323 15.051 127 HE3 MET 15 2HE MET 15 2.216 -12.113 14.407 128 H LYS 16 H LYS 16 1.067 -11.145 10.366 129 HA LYS 16 HA LYS 16 -1.458 -11.856 9.511 130 HB2 LYS 16 2HB LYS 16 1.149 -13.255 9.734 131 HB3 LYS 16 3HB LYS 16 -0.269 -14.271 9.507 132 HG2 LYS 16 2HG LYS 16 0.340 -13.916 7.339 133 HG3 LYS 16 3HG LYS 16 -0.785 -12.577 7.573 134 HD2 LYS 16 2HD LYS 16 1.004 -11.500 6.599 135 HD3 LYS 16 3HD LYS 16 1.363 -11.284 8.314 136 HE2 LYS 16 2HE LYS 16 2.420 -13.714 6.973 137 HE3 LYS 16 3HE LYS 16 3.175 -12.169 6.581 138 HZ1 LYS 16 3HZ LYS 16 4.402 -12.697 8.383 139 HZ2 LYS 16 1HZ LYS 16 3.206 -13.673 9.074 140 HZ3 LYS 16 2HZ LYS 16 3.111 -11.990 9.216 141 H GLY 17 H GLY 17 -3.177 -12.271 10.739 142 HA2 GLY 17 2HA GLY 17 -4.395 -13.860 12.045 143 HA3 GLY 17 3HA GLY 17 -2.898 -14.283 12.864 144 H TYR 18 H TYR 18 -3.248 -10.947 12.476 145 HA TYR 18 HA TYR 18 -4.687 -10.568 14.980 146 HB2 TYR 18 2HB TYR 18 -1.942 -9.363 14.640 147 HB3 TYR 18 3HB TYR 18 -2.945 -9.382 16.087 148 HD1 TYR 18 HD1 TYR 18 -0.834 -11.449 13.875 149 HD2 TYR 18 HD2 TYR 18 -2.933 -11.250 17.570 150 HE1 TYR 18 HE1 TYR 18 0.294 -13.504 14.620 151 HE2 TYR 18 HE2 TYR 18 -1.811 -13.304 18.326 152 HH TYR 18 HH TYR 18 0.044 -14.655 17.891 153 HA PRO 19 HA PRO 19 -6.169 -6.948 12.986 154 HB2 PRO 19 2HB PRO 19 -6.676 -5.356 15.126 155 HB3 PRO 19 3HB PRO 19 -7.668 -6.761 14.717 156 HG2 PRO 19 2HG PRO 19 -5.487 -6.510 16.753 157 HG3 PRO 19 3HG PRO 19 -7.062 -7.312 16.894 158 HD2 PRO 19 2HD PRO 19 -4.769 -8.675 16.430 159 HD3 PRO 19 3HD PRO 19 -6.340 -9.202 15.790 160 H HIS 20 H HIS 20 -5.864 -4.507 12.955 161 HA HIS 20 HA HIS 20 -3.098 -3.934 12.621 162 HB2 HIS 20 2HB HIS 20 -5.334 -1.908 12.688 163 HB3 HIS 20 3HB HIS 20 -3.792 -1.788 11.845 164 HD1 HIS 20 HD1 HIS 20 -3.695 -4.323 10.244 165 HD2 HIS 20 HD2 HIS 20 -7.179 -2.111 10.725 166 HE1 HIS 20 HE1 HIS 20 -5.164 -4.952 8.302 167 H TRP 21 H TRP 21 -1.758 -2.562 13.778 168 HA TRP 21 HA TRP 21 -2.733 -1.383 16.253 169 HB2 TRP 21 2HB TRP 21 -2.107 -3.600 16.996 170 HB3 TRP 21 3HB TRP 21 -0.550 -3.475 16.182 171 HD1 TRP 21 HD1 TRP 21 1.248 -1.727 17.281 172 HE1 TRP 21 HE1 TRP 21 1.547 -0.979 19.725 173 HE3 TRP 21 HE3 TRP 21 -3.314 -3.121 19.120 174 HZ2 TRP 21 HZ2 TRP 21 0.048 -0.980 22.117 175 HZ3 TRP 21 HZ3 TRP 21 -3.802 -2.713 21.497 176 HH2 TRP 21 HH2 TRP 21 -2.154 -1.665 22.963 177 HA PRO 22 HA PRO 22 0.099 1.756 14.996 178 HB2 PRO 22 2HB PRO 22 0.209 3.142 17.328 179 HB3 PRO 22 3HB PRO 22 -1.187 3.194 16.244 180 HG2 PRO 22 2HG PRO 22 -0.786 1.593 18.742 181 HG3 PRO 22 3HG PRO 22 -2.220 2.486 18.204 182 HD2 PRO 22 2HD PRO 22 -1.988 -0.198 17.933 183 HD3 PRO 22 3HD PRO 22 -2.885 0.804 16.775 184 H ALA 23 H ALA 23 2.178 1.249 14.688 185 HA ALA 23 HA ALA 23 3.855 0.773 17.058 186 HB1 ALA 23 1HB ALA 23 4.846 -1.096 16.206 187 HB2 ALA 23 2HB ALA 23 3.238 -1.274 15.504 188 HB3 ALA 23 3HB ALA 23 4.558 -0.623 14.532 189 H ARG 24 H ARG 24 6.307 0.665 15.985 190 HA ARG 24 HA ARG 24 6.585 3.080 14.332 191 HB2 ARG 24 2HB ARG 24 7.042 3.866 16.525 192 HB3 ARG 24 3HB ARG 24 7.995 2.442 16.917 193 HG2 ARG 24 2HG ARG 24 8.960 4.063 14.652 194 HG3 ARG 24 3HG ARG 24 9.060 4.807 16.249 195 HD2 ARG 24 2HD ARG 24 10.137 2.599 16.990 196 HD3 ARG 24 3HD ARG 24 10.340 2.276 15.268 197 HE ARG 24 HE ARG 24 11.374 4.799 15.712 198 HH11 ARG 24 1HH1 ARG 24 12.003 1.552 16.799 199 HH12 ARG 24 2HH1 ARG 24 13.697 1.823 17.045 200 HH21 ARG 24 1HH2 ARG 24 13.602 5.168 16.031 201 HH22 ARG 24 2HH2 ARG 24 14.605 3.881 16.608 202 H VAL 25 H VAL 25 8.260 3.076 12.874 203 HA VAL 25 HA VAL 25 9.403 0.481 12.279 204 HB VAL 25 HB VAL 25 9.686 3.111 10.818 205 HG11 VAL 25 1HG1 VAL 25 10.948 0.502 10.469 206 HG12 VAL 25 2HG1 VAL 25 10.158 1.107 9.011 207 HG13 VAL 25 3HG1 VAL 25 11.395 2.076 9.812 208 HG21 VAL 25 3HG2 VAL 25 8.210 1.508 9.209 209 HG22 VAL 25 1HG2 VAL 25 7.649 0.991 10.800 210 HG23 VAL 25 2HG2 VAL 25 7.528 2.687 10.330 211 H ASP 26 H ASP 26 11.524 -0.088 12.400 212 HA ASP 26 HA ASP 26 13.282 1.770 13.842 213 HB2 ASP 26 2HB ASP 26 12.664 -0.791 14.468 214 HB3 ASP 26 3HB ASP 26 14.113 -1.048 13.500 215 H GLU 27 H GLU 27 15.666 1.495 13.317 216 HA GLU 27 HA GLU 27 15.989 1.903 10.474 217 HB2 GLU 27 2HB GLU 27 17.142 3.427 11.925 218 HB3 GLU 27 3HB GLU 27 17.901 2.105 12.801 219 HG2 GLU 27 2HG GLU 27 19.480 1.768 11.212 220 HG3 GLU 27 3HG GLU 27 18.423 2.271 9.895 221 H VAL 28 H VAL 28 17.418 0.757 9.125 222 HA VAL 28 HA VAL 28 17.371 -2.031 9.389 223 HB VAL 28 HB VAL 28 19.098 -1.995 7.530 224 HG11 VAL 28 1HG1 VAL 28 16.633 -2.082 7.194 225 HG12 VAL 28 2HG1 VAL 28 16.636 -0.323 7.047 226 HG13 VAL 28 3HG1 VAL 28 17.506 -1.310 5.872 227 HG21 VAL 28 3HG2 VAL 28 18.599 0.853 7.040 228 HG22 VAL 28 1HG2 VAL 28 19.639 0.516 8.424 229 HG23 VAL 28 2HG2 VAL 28 20.071 -0.096 6.827 230 HA PRO 29 HA PRO 29 20.852 -3.059 11.860 231 HB2 PRO 29 2HB PRO 29 21.675 -5.366 10.688 232 HB3 PRO 29 3HB PRO 29 20.200 -5.253 11.657 233 HG2 PRO 29 2HG PRO 29 20.520 -5.209 8.681 234 HG3 PRO 29 3HG PRO 29 19.316 -6.062 9.664 235 HD2 PRO 29 2HD PRO 29 18.773 -3.734 8.393 236 HD3 PRO 29 3HD PRO 29 18.018 -4.177 9.938 237 H ASP 30 H ASP 30 23.218 -3.803 11.650 238 HA ASP 30 HA ASP 30 24.650 -1.881 10.201 239 HB2 ASP 30 2HB ASP 30 25.442 -3.113 12.252 240 HB3 ASP 30 3HB ASP 30 25.749 -4.505 11.218 241 H GLY 31 H GLY 31 23.368 -4.912 9.244 242 HA2 GLY 31 2HA GLY 31 23.241 -5.122 6.757 243 HA3 GLY 31 3HA GLY 31 24.969 -4.805 6.761 244 H ALA 32 H ALA 32 25.547 -6.428 9.073 245 HA ALA 32 HA ALA 32 25.075 -9.102 7.924 246 HB1 ALA 32 1HB ALA 32 27.539 -7.908 9.140 247 HB2 ALA 32 2HB ALA 32 27.302 -9.655 9.083 248 HB3 ALA 32 3HB ALA 32 27.348 -8.722 7.587 249 H VAL 33 H VAL 33 23.660 -7.504 10.077 250 HA VAL 33 HA VAL 33 24.144 -9.178 12.425 251 HB VAL 33 HB VAL 33 22.125 -6.956 12.257 252 HG11 VAL 33 1HG1 VAL 33 23.266 -6.956 14.749 253 HG12 VAL 33 2HG1 VAL 33 21.744 -7.738 14.319 254 HG13 VAL 33 3HG1 VAL 33 23.242 -8.670 14.338 255 HG21 VAL 33 3HG2 VAL 33 25.089 -6.742 12.741 256 HG22 VAL 33 1HG2 VAL 33 24.127 -5.914 11.516 257 HG23 VAL 33 2HG2 VAL 33 23.936 -5.496 13.219 258 H LYS 34 H LYS 34 23.033 -10.465 10.168 259 HA LYS 34 HA LYS 34 21.313 -11.812 9.521 260 HB2 LYS 34 2HB LYS 34 21.889 -12.596 11.912 261 HB3 LYS 34 3HB LYS 34 20.402 -11.787 12.388 262 HG2 LYS 34 2HG LYS 34 19.118 -13.208 10.909 263 HG3 LYS 34 3HG LYS 34 20.597 -13.981 10.334 264 HD2 LYS 34 2HD LYS 34 19.979 -15.506 11.913 265 HD3 LYS 34 3HD LYS 34 20.928 -14.419 12.930 266 HE2 LYS 34 2HE LYS 34 18.016 -13.893 12.572 267 HE3 LYS 34 3HE LYS 34 18.521 -15.196 13.648 268 HZ1 LYS 34 3HZ LYS 34 18.495 -12.426 14.139 269 HZ2 LYS 34 1HZ LYS 34 20.092 -12.977 14.238 270 HZ3 LYS 34 2HZ LYS 34 18.893 -13.683 15.200 271 HA PRO 35 HA PRO 35 18.308 -8.245 9.604 272 HB2 PRO 35 2HB PRO 35 18.221 -7.931 6.909 273 HB3 PRO 35 3HB PRO 35 19.419 -7.128 7.931 274 HG2 PRO 35 2HG PRO 35 19.697 -9.610 6.280 275 HG3 PRO 35 3HG PRO 35 20.828 -8.257 6.466 276 HD2 PRO 35 2HD PRO 35 21.129 -10.601 7.789 277 HD3 PRO 35 3HD PRO 35 21.634 -9.044 8.477 278 HA PRO 36 HA PRO 36 14.754 -10.642 8.624 279 HB2 PRO 36 2HB PRO 36 13.070 -8.804 7.550 280 HB3 PRO 36 3HB PRO 36 13.473 -8.848 9.270 281 HG2 PRO 36 2HG PRO 36 14.588 -7.105 7.107 282 HG3 PRO 36 3HG PRO 36 14.112 -6.671 8.760 283 HD2 PRO 36 2HD PRO 36 16.693 -7.077 8.046 284 HD3 PRO 36 3HD PRO 36 16.079 -7.459 9.667 285 H THR 37 H THR 37 13.301 -11.363 6.879 286 HA THR 37 HA THR 37 14.713 -11.363 4.308 287 HB THR 37 HB THR 37 12.580 -13.234 5.352 288 HG1 THR 37 HG1 THR 37 15.386 -13.546 4.950 289 HG21 THR 37 3HG2 THR 37 13.987 -14.310 3.140 290 HG22 THR 37 1HG2 THR 37 13.426 -12.703 2.681 291 HG23 THR 37 2HG2 THR 37 12.274 -13.909 3.253 292 H ASN 38 H ASN 38 13.989 -9.527 3.297 293 HA ASN 38 HA ASN 38 12.612 -8.227 2.038 294 HB2 ASN 38 2HB ASN 38 10.591 -10.466 2.185 295 HB3 ASN 38 3HB ASN 38 10.752 -9.239 0.932 296 HD21 ASN 38 1HD2 ASN 38 13.200 -9.228 0.116 297 HD22 ASN 38 2HD2 ASN 38 13.744 -10.781 -0.411 298 H LYS 39 H LYS 39 12.534 -8.082 4.925 299 HA LYS 39 HA LYS 39 9.962 -6.722 5.194 300 HB2 LYS 39 2HB LYS 39 11.014 -8.669 7.255 301 HB3 LYS 39 3HB LYS 39 9.564 -7.686 7.409 302 HG2 LYS 39 2HG LYS 39 8.486 -8.887 5.639 303 HG3 LYS 39 3HG LYS 39 9.970 -9.772 5.278 304 HD2 LYS 39 2HD LYS 39 9.693 -10.375 7.885 305 HD3 LYS 39 3HD LYS 39 7.998 -10.166 7.442 306 HE2 LYS 39 2HE LYS 39 8.274 -12.388 6.965 307 HE3 LYS 39 3HE LYS 39 8.685 -11.679 5.404 308 HZ1 LYS 39 3HZ LYS 39 10.499 -12.788 7.454 309 HZ2 LYS 39 1HZ LYS 39 11.066 -11.713 6.277 310 HZ3 LYS 39 2HZ LYS 39 10.383 -13.190 5.814 311 H LEU 40 H LEU 40 9.970 -5.580 7.481 312 HA LEU 40 HA LEU 40 12.653 -4.494 7.994 313 HB2 LEU 40 2HB LEU 40 11.288 -2.288 8.410 314 HB3 LEU 40 3HB LEU 40 11.863 -2.723 6.802 315 HG LEU 40 HG LEU 40 9.113 -3.549 7.597 316 HD11 LEU 40 1HD1 LEU 40 10.047 -0.794 7.488 317 HD12 LEU 40 2HD1 LEU 40 8.524 -1.454 8.082 318 HD13 LEU 40 3HD1 LEU 40 8.731 -1.125 6.362 319 HD21 LEU 40 3HD2 LEU 40 8.836 -2.811 5.126 320 HD22 LEU 40 1HD2 LEU 40 9.669 -4.323 5.490 321 HD23 LEU 40 2HD2 LEU 40 10.599 -2.878 5.089 322 HA PRO 41 HA PRO 41 11.777 -4.931 12.271 323 HB2 PRO 41 2HB PRO 41 12.991 -2.746 13.332 324 HB3 PRO 41 3HB PRO 41 13.888 -4.125 12.685 325 HG2 PRO 41 2HG PRO 41 13.276 -1.490 11.401 326 HG3 PRO 41 3HG PRO 41 14.792 -2.411 11.398 327 HD2 PRO 41 2HD PRO 41 13.077 -2.421 9.302 328 HD3 PRO 41 3HD PRO 41 14.075 -3.827 9.726 329 H ILE 42 H ILE 42 9.887 -4.656 13.260 330 HA ILE 42 HA ILE 42 8.674 -1.970 13.265 331 HB ILE 42 HB ILE 42 7.121 -4.555 13.299 332 HG12 ILE 42 2HG1 ILE 42 8.288 -4.368 11.162 333 HG13 ILE 42 3HG1 ILE 42 6.566 -4.072 10.942 334 HG21 ILE 42 1HG2 ILE 42 5.739 -2.229 12.323 335 HG22 ILE 42 2HG2 ILE 42 5.332 -3.292 13.669 336 HG23 ILE 42 3HG2 ILE 42 6.414 -1.924 13.923 337 HD11 ILE 42 3HD1 ILE 42 8.758 -2.432 10.219 338 HD12 ILE 42 1HD1 ILE 42 7.036 -2.152 9.962 339 HD13 ILE 42 2HD1 ILE 42 7.812 -1.582 11.441 340 H PHE 43 H PHE 43 8.941 -1.186 15.254 341 HA PHE 43 HA PHE 43 8.943 -2.931 17.566 342 HB2 PHE 43 2HB PHE 43 10.523 -0.997 17.323 343 HB3 PHE 43 3HB PHE 43 9.143 0.085 17.486 344 HD1 PHE 43 HD1 PHE 43 10.284 -2.977 19.294 345 HD2 PHE 43 HD2 PHE 43 9.111 1.107 19.532 346 HE1 PHE 43 HE1 PHE 43 10.518 -3.056 21.742 347 HE2 PHE 43 HE2 PHE 43 9.344 1.035 21.981 348 HZ PHE 43 HZ PHE 43 10.049 -1.049 23.088 349 H PHE 44 H PHE 44 7.023 -3.622 18.260 350 HA PHE 44 HA PHE 44 4.605 -2.148 17.905 351 HB2 PHE 44 2HB PHE 44 5.358 -4.719 19.232 352 HB3 PHE 44 3HB PHE 44 3.797 -3.998 19.608 353 HD1 PHE 44 HD2 PHE 44 2.779 -2.972 17.177 354 HD2 PHE 44 HD1 PHE 44 5.110 -6.480 17.793 355 HE1 PHE 44 HE2 PHE 44 1.832 -3.956 15.131 356 HE2 PHE 44 HE1 PHE 44 4.167 -7.469 15.746 357 HZ PHE 44 HZ PHE 44 2.525 -6.208 14.413 358 H PHE 45 H PHE 45 4.132 -0.388 19.034 359 HA PHE 45 HA PHE 45 5.310 0.160 21.590 360 HB2 PHE 45 2HB PHE 45 3.559 1.592 19.677 361 HB3 PHE 45 3HB PHE 45 3.413 2.065 21.366 362 HD1 PHE 45 HD1 PHE 45 6.087 1.920 22.395 363 HD2 PHE 45 HD2 PHE 45 4.750 3.212 18.566 364 HE1 PHE 45 HE1 PHE 45 8.092 3.330 22.174 365 HE2 PHE 45 HE2 PHE 45 6.752 4.623 18.339 366 HZ PHE 45 HZ PHE 45 8.427 4.683 20.144 367 H GLY 46 H GLY 46 4.300 0.287 23.594 368 HA2 GLY 46 2HA GLY 46 2.510 0.074 25.109 369 HA3 GLY 46 3HA GLY 46 1.522 -0.585 23.813 370 H THR 47 H THR 47 3.412 -2.564 22.953 371 HA THR 47 HA THR 47 3.214 -4.420 25.232 372 HB THR 47 HB THR 47 3.046 -6.243 23.641 373 HG1 THR 47 HG1 THR 47 3.019 -5.808 21.404 374 HG21 THR 47 3HG2 THR 47 0.842 -5.944 23.234 375 HG22 THR 47 1HG2 THR 47 1.096 -4.406 22.411 376 HG23 THR 47 2HG2 THR 47 1.073 -4.469 24.173 377 H HIS 48 H HIS 48 5.405 -2.634 23.559 378 HA HIS 48 HA HIS 48 7.656 -2.724 23.203 379 HB2 HIS 48 2HB HIS 48 7.294 -4.322 25.725 380 HB3 HIS 48 3HB HIS 48 8.895 -4.062 25.040 381 HD1 HIS 48 HD1 HIS 48 7.940 -1.035 24.135 382 HD2 HIS 48 HD2 HIS 48 8.045 -2.712 27.935 383 HE1 HIS 48 HE1 HIS 48 8.074 0.909 25.725 384 H GLU 49 H GLU 49 6.108 -4.601 21.697 385 HA GLU 49 HA GLU 49 7.830 -6.971 21.589 386 HB2 GLU 49 2HB GLU 49 5.166 -6.385 20.288 387 HB3 GLU 49 3HB GLU 49 6.083 -7.865 20.044 388 HG2 GLU 49 2HG GLU 49 4.713 -6.895 22.522 389 HG3 GLU 49 3HG GLU 49 4.488 -8.411 21.652 390 H THR 50 H THR 50 8.058 -7.811 19.209 391 HA THR 50 HA THR 50 8.529 -5.664 17.301 392 HB THR 50 HB THR 50 10.657 -5.611 18.327 393 HG1 THR 50 HG1 THR 50 11.156 -5.664 16.228 394 HG21 THR 50 3HG2 THR 50 11.828 -8.088 18.235 395 HG22 THR 50 1HG2 THR 50 10.176 -8.472 18.716 396 HG23 THR 50 2HG2 THR 50 11.134 -7.344 19.675 397 H ALA 51 H ALA 51 7.906 -6.307 15.349 398 HA ALA 51 HA ALA 51 8.120 -9.156 14.652 399 HB1 ALA 51 1HB ALA 51 5.720 -7.469 13.971 400 HB2 ALA 51 2HB ALA 51 5.929 -9.201 13.714 401 HB3 ALA 51 3HB ALA 51 5.790 -8.563 15.353 402 H PHE 52 H PHE 52 8.686 -9.593 12.564 403 HA PHE 52 HA PHE 52 9.562 -7.305 10.975 404 HB2 PHE 52 2HB PHE 52 10.216 -10.238 10.951 405 HB3 PHE 52 3HB PHE 52 10.613 -9.218 9.572 406 HD1 PHE 52 HD2 PHE 52 11.693 -6.840 10.476 407 HD2 PHE 52 HD1 PHE 52 11.991 -10.665 12.320 408 HE1 PHE 52 HE2 PHE 52 13.766 -6.134 11.597 409 HE2 PHE 52 HE1 PHE 52 14.065 -9.965 13.444 410 HZ PHE 52 HZ PHE 52 14.955 -7.697 13.082 411 H LEU 53 H LEU 53 8.274 -6.540 9.447 412 HA LEU 53 HA LEU 53 6.785 -8.399 7.758 413 HB2 LEU 53 2HB LEU 53 5.430 -5.954 8.845 414 HB3 LEU 53 3HB LEU 53 4.711 -7.329 8.010 415 HG LEU 53 HG LEU 53 5.936 -7.547 10.751 416 HD11 LEU 53 1HD1 LEU 53 4.196 -6.497 11.630 417 HD12 LEU 53 2HD1 LEU 53 3.111 -7.657 10.864 418 HD13 LEU 53 3HD1 LEU 53 3.555 -6.175 10.018 419 HD21 LEU 53 3HD2 LEU 53 5.271 -9.686 10.721 420 HD22 LEU 53 1HD2 LEU 53 5.218 -9.482 8.970 421 HD23 LEU 53 2HD2 LEU 53 3.745 -9.304 9.924 422 H GLY 54 H GLY 54 6.542 -7.728 5.661 423 HA2 GLY 54 2HA GLY 54 8.306 -5.725 4.711 424 HA3 GLY 54 3HA GLY 54 7.102 -6.576 3.754 425 HA PRO 55 HA PRO 55 5.943 -2.053 4.279 426 HB2 PRO 55 2HB PRO 55 5.944 -1.439 1.635 427 HB3 PRO 55 3HB PRO 55 7.382 -1.303 2.653 428 HG2 PRO 55 2HG PRO 55 6.597 -3.490 0.766 429 HG3 PRO 55 3HG PRO 55 8.184 -2.737 1.007 430 HD2 PRO 55 2HD PRO 55 7.529 -5.132 2.088 431 HD3 PRO 55 3HD PRO 55 8.636 -3.996 2.885 432 H LYS 56 H LYS 56 4.958 -4.507 1.926 433 HA LYS 56 HA LYS 56 2.398 -3.392 1.401 434 HB2 LYS 56 2HB LYS 56 3.275 -6.268 1.091 435 HB3 LYS 56 3HB LYS 56 1.905 -5.498 0.300 436 HG2 LYS 56 2HG LYS 56 3.536 -3.957 -0.816 437 HG3 LYS 56 3HG LYS 56 4.828 -4.968 -0.164 438 HD2 LYS 56 2HD LYS 56 2.601 -6.208 -1.728 439 HD3 LYS 56 3HD LYS 56 3.929 -5.406 -2.569 440 HE2 LYS 56 2HE LYS 56 5.512 -6.849 -1.294 441 HE3 LYS 56 3HE LYS 56 4.123 -7.715 -0.639 442 HZ1 LYS 56 3HZ LYS 56 3.686 -8.706 -2.625 443 HZ2 LYS 56 1HZ LYS 56 5.363 -8.542 -2.780 444 HZ3 LYS 56 2HZ LYS 56 4.331 -7.442 -3.546 445 H ASP 57 H ASP 57 3.655 -4.962 4.095 446 HA ASP 57 HA ASP 57 1.075 -6.046 4.941 447 HB2 ASP 57 2HB ASP 57 3.901 -6.447 5.752 448 HB3 ASP 57 3HB ASP 57 2.692 -6.583 7.025 449 H ILE 58 H ILE 58 3.316 -3.459 5.634 450 HA ILE 58 HA ILE 58 1.776 -2.608 7.961 451 HB ILE 58 HB ILE 58 3.503 -0.811 8.140 452 HG12 ILE 58 2HG1 ILE 58 4.893 -2.357 5.943 453 HG13 ILE 58 3HG1 ILE 58 4.092 -0.807 5.710 454 HG21 ILE 58 1HG2 ILE 58 4.939 -2.166 9.286 455 HG22 ILE 58 2HG2 ILE 58 3.590 -3.279 9.070 456 HG23 ILE 58 3HG2 ILE 58 4.993 -3.378 8.007 457 HD11 ILE 58 3HD1 ILE 58 6.369 -1.247 7.622 458 HD12 ILE 58 1HD1 ILE 58 6.560 -0.676 5.964 459 HD13 ILE 58 2HD1 ILE 58 5.657 0.290 7.132 460 H PHE 59 H PHE 59 0.471 -0.854 8.023 461 HA PHE 59 HA PHE 59 0.162 0.674 5.522 462 HB2 PHE 59 2HB PHE 59 -1.826 -0.614 7.293 463 HB3 PHE 59 3HB PHE 59 -2.245 0.997 6.720 464 HD1 PHE 59 HD1 PHE 59 -1.002 -2.279 5.456 465 HD2 PHE 59 HD2 PHE 59 -3.299 1.220 4.686 466 HE1 PHE 59 HE1 PHE 59 -1.742 -3.240 3.315 467 HE2 PHE 59 HE2 PHE 59 -4.044 0.264 2.544 468 HZ PHE 59 HZ PHE 59 -3.266 -1.969 1.857 469 HA PRO 60 HA PRO 60 0.777 4.432 7.697 470 HB2 PRO 60 2HB PRO 60 -1.070 6.080 6.582 471 HB3 PRO 60 3HB PRO 60 0.377 5.538 5.724 472 HG2 PRO 60 2HG PRO 60 -2.426 4.498 5.558 473 HG3 PRO 60 3HG PRO 60 -1.267 4.806 4.251 474 HD2 PRO 60 2HD PRO 60 -1.730 2.325 5.233 475 HD3 PRO 60 3HD PRO 60 -0.145 2.825 4.609 476 H TYR 61 H TYR 61 0.243 5.122 9.671 477 HA TYR 61 HA TYR 61 -2.062 4.216 11.015 478 HB2 TYR 61 2HB TYR 61 -1.103 5.092 12.882 479 HB3 TYR 61 3HB TYR 61 0.312 5.182 11.839 480 HD1 TYR 61 HD2 TYR 61 0.662 7.402 10.552 481 HD2 TYR 61 HD1 TYR 61 -1.899 7.013 13.927 482 HE1 TYR 61 HE2 TYR 61 0.779 9.832 10.913 483 HE2 TYR 61 HE1 TYR 61 -1.790 9.443 14.297 484 HH TYR 61 HH TYR 61 0.037 11.554 12.103 485 H SER 62 H SER 62 -1.599 6.806 8.882 486 HA SER 62 HA SER 62 -3.447 8.677 9.924 487 HB2 SER 62 2HB SER 62 -1.658 8.983 8.069 488 HB3 SER 62 3HB SER 62 -2.902 8.367 6.982 489 HG SER 62 HG SER 62 -3.665 10.314 6.988 490 H GLU 63 H GLU 63 -3.855 5.662 8.386 491 HA GLU 63 HA GLU 63 -6.579 6.266 7.522 492 HB2 GLU 63 2HB GLU 63 -4.714 3.952 7.097 493 HB3 GLU 63 3HB GLU 63 -6.438 3.770 6.805 494 HG2 GLU 63 2HG GLU 63 -6.341 5.637 5.206 495 HG3 GLU 63 3HG GLU 63 -4.600 5.742 5.466 496 H ASN 64 H ASN 64 -4.821 4.384 9.909 497 HA ASN 64 HA ASN 64 -7.207 3.114 10.927 498 HB2 ASN 64 2HB ASN 64 -4.386 3.183 12.023 499 HB3 ASN 64 3HB ASN 64 -5.692 2.176 12.641 500 HD21 ASN 64 1HD2 ASN 64 -6.283 0.352 11.549 501 HD22 ASN 64 2HD2 ASN 64 -5.399 -0.277 10.204 502 H LYS 65 H LYS 65 -4.919 5.583 12.068 503 HA LYS 65 HA LYS 65 -6.081 6.127 14.531 504 HB2 LYS 65 2HB LYS 65 -4.810 8.098 14.569 505 HB3 LYS 65 3HB LYS 65 -3.888 7.015 13.535 506 HG2 LYS 65 2HG LYS 65 -3.806 8.854 12.231 507 HG3 LYS 65 3HG LYS 65 -5.351 8.219 11.661 508 HD2 LYS 65 2HD LYS 65 -6.014 10.345 12.114 509 HD3 LYS 65 3HD LYS 65 -6.234 9.661 13.727 510 HE2 LYS 65 2HE LYS 65 -5.055 11.679 14.041 511 HE3 LYS 65 3HE LYS 65 -3.859 10.395 14.211 512 HZ1 LYS 65 3HZ LYS 65 -3.811 12.561 12.457 513 HZ2 LYS 65 1HZ LYS 65 -3.987 11.167 11.515 514 HZ3 LYS 65 2HZ LYS 65 -2.687 11.304 12.587 515 H GLU 66 H GLU 66 -7.089 7.040 11.330 516 HA GLU 66 HA GLU 66 -8.976 9.022 12.272 517 HB2 GLU 66 2HB GLU 66 -9.568 9.310 9.949 518 HB3 GLU 66 3HB GLU 66 -7.817 9.263 10.093 519 HG2 GLU 66 2HG GLU 66 -7.695 7.095 9.192 520 HG3 GLU 66 3HG GLU 66 -9.429 6.837 9.376 521 H LYS 67 H LYS 67 -8.915 5.648 11.752 522 HA LYS 67 HA LYS 67 -11.716 5.301 11.247 523 HB2 LYS 67 2HB LYS 67 -9.488 3.413 11.988 524 HB3 LYS 67 3HB LYS 67 -11.155 2.872 11.839 525 HG2 LYS 67 2HG LYS 67 -10.071 4.411 9.567 526 HG3 LYS 67 3HG LYS 67 -9.396 2.801 9.827 527 HD2 LYS 67 2HD LYS 67 -12.357 3.159 9.881 528 HD3 LYS 67 3HD LYS 67 -11.525 3.144 8.325 529 HE2 LYS 67 2HE LYS 67 -10.782 1.002 10.214 530 HE3 LYS 67 3HE LYS 67 -12.423 0.929 9.574 531 HZ1 LYS 67 3HZ LYS 67 -10.828 1.471 7.406 532 HZ2 LYS 67 1HZ LYS 67 -11.545 -0.014 7.786 533 HZ3 LYS 67 2HZ LYS 67 -9.963 0.314 8.286 534 H TYR 68 H TYR 68 -9.666 4.440 14.041 535 HA TYR 68 HA TYR 68 -11.974 4.990 15.782 536 HB2 TYR 68 2HB TYR 68 -10.147 2.899 16.743 537 HB3 TYR 68 3HB TYR 68 -11.906 2.959 16.769 538 HD1 TYR 68 HD1 TYR 68 -13.188 2.270 14.742 539 HD2 TYR 68 HD2 TYR 68 -8.980 1.721 15.040 540 HE1 TYR 68 HE1 TYR 68 -13.275 0.649 12.895 541 HE2 TYR 68 HE2 TYR 68 -9.055 0.099 13.193 542 HH TYR 68 HH TYR 68 -10.982 -1.503 12.229 543 H GLY 69 H GLY 69 -8.588 5.211 15.181 544 HA2 GLY 69 2HA GLY 69 -7.031 6.625 16.140 545 HA3 GLY 69 3HA GLY 69 -8.283 7.195 17.234 546 H LYS 70 H LYS 70 -8.689 4.169 17.827 547 HA LYS 70 HA LYS 70 -6.298 3.587 19.368 548 HB2 LYS 70 2HB LYS 70 -7.923 3.181 21.399 549 HB3 LYS 70 3HB LYS 70 -7.235 4.772 21.103 550 HG2 LYS 70 2HG LYS 70 -9.231 5.643 20.346 551 HG3 LYS 70 3HG LYS 70 -9.881 4.058 19.921 552 HD2 LYS 70 2HD LYS 70 -11.057 4.367 21.833 553 HD3 LYS 70 3HD LYS 70 -9.588 3.719 22.564 554 HE2 LYS 70 2HE LYS 70 -10.086 6.660 22.146 555 HE3 LYS 70 3HE LYS 70 -10.495 5.806 23.633 556 HZ1 LYS 70 3HZ LYS 70 -8.419 6.585 24.124 557 HZ2 LYS 70 1HZ LYS 70 -7.855 6.459 22.533 558 HZ3 LYS 70 2HZ LYS 70 -8.014 5.071 23.486 559 HA PRO 71 HA PRO 71 -7.397 -0.595 18.626 560 HB2 PRO 71 2HB PRO 71 -6.567 -1.833 20.895 561 HB3 PRO 71 3HB PRO 71 -5.448 -1.198 19.683 562 HG2 PRO 71 2HG PRO 71 -6.323 0.019 22.274 563 HG3 PRO 71 3HG PRO 71 -4.700 -0.053 21.564 564 HD2 PRO 71 2HD PRO 71 -6.251 2.163 21.432 565 HD3 PRO 71 3HD PRO 71 -5.102 1.723 20.151 566 H ASN 72 H ASN 72 -9.045 -2.046 18.907 567 HA ASN 72 HA ASN 72 -11.083 -1.311 20.876 568 HB2 ASN 72 2HB ASN 72 -11.125 -2.355 18.163 569 HB3 ASN 72 3HB ASN 72 -12.133 -3.314 19.244 570 HD21 ASN 72 1HD2 ASN 72 -13.302 -1.685 20.890 571 HD22 ASN 72 2HD2 ASN 72 -14.206 -0.454 20.082 572 H LYS 73 H LYS 73 -9.687 -4.301 19.516 573 HA LYS 73 HA LYS 73 -10.070 -5.557 22.155 574 HB2 LYS 73 2HB LYS 73 -11.467 -6.381 20.124 575 HB3 LYS 73 3HB LYS 73 -9.963 -7.125 19.596 576 HG2 LYS 73 2HG LYS 73 -10.453 -8.869 20.865 577 HG3 LYS 73 3HG LYS 73 -10.248 -7.840 22.284 578 HD2 LYS 73 2HD LYS 73 -12.474 -7.644 22.625 579 HD3 LYS 73 3HD LYS 73 -12.841 -7.608 20.898 580 HE2 LYS 73 2HE LYS 73 -11.828 -10.187 21.567 581 HE3 LYS 73 3HE LYS 73 -13.101 -9.768 22.713 582 HZ1 LYS 73 3HZ LYS 73 -13.267 -10.162 19.813 583 HZ2 LYS 73 1HZ LYS 73 -14.330 -9.060 20.534 584 HZ3 LYS 73 2HZ LYS 73 -14.321 -10.676 21.033 585 H ARG 74 H ARG 74 -7.753 -4.080 21.298 586 HA ARG 74 HA ARG 74 -5.764 -6.249 21.146 587 HB2 ARG 74 2HB ARG 74 -5.482 -3.374 20.251 588 HB3 ARG 74 3HB ARG 74 -4.225 -4.601 20.161 589 HG2 ARG 74 2HG ARG 74 -5.026 -4.622 18.017 590 HG3 ARG 74 3HG ARG 74 -5.994 -5.902 18.752 591 HD2 ARG 74 2HD ARG 74 -7.881 -4.797 18.346 592 HD3 ARG 74 3HD ARG 74 -7.255 -3.341 19.120 593 HE ARG 74 HE ARG 74 -6.048 -3.287 16.715 594 HH11 ARG 74 1HH1 ARG 74 -9.367 -3.720 17.675 595 HH12 ARG 74 2HH1 ARG 74 -10.013 -3.000 16.238 596 HH21 ARG 74 1HH2 ARG 74 -6.887 -2.337 14.819 597 HH22 ARG 74 2HH2 ARG 74 -8.601 -2.214 14.613 598 H LYS 75 H LYS 75 -4.867 -6.625 23.055 599 HA LYS 75 HA LYS 75 -5.042 -5.070 25.327 600 HB2 LYS 75 2HB LYS 75 -3.580 -6.564 26.331 601 HB3 LYS 75 3HB LYS 75 -4.206 -7.514 24.990 602 HG2 LYS 75 2HG LYS 75 -1.586 -6.029 24.991 603 HG3 LYS 75 3HG LYS 75 -1.783 -7.761 25.269 604 HD2 LYS 75 2HD LYS 75 -2.613 -6.301 22.761 605 HD3 LYS 75 3HD LYS 75 -1.122 -7.228 22.947 606 HE2 LYS 75 2HE LYS 75 -3.927 -8.312 23.196 607 HE3 LYS 75 3HE LYS 75 -2.856 -8.530 21.814 608 HZ1 LYS 75 3HZ LYS 75 -2.242 -10.392 22.849 609 HZ2 LYS 75 1HZ LYS 75 -2.902 -9.915 24.333 610 HZ3 LYS 75 2HZ LYS 75 -1.355 -9.395 23.890 611 H GLY 76 H GLY 76 -3.602 -3.680 26.417 612 HA2 GLY 76 2HA GLY 76 -1.630 -2.368 26.584 613 HA3 GLY 76 3HA GLY 76 -1.340 -2.635 24.871 614 H PHE 77 H PHE 77 -4.560 -1.907 25.344 615 HA PHE 77 HA PHE 77 -4.460 0.505 23.937 616 HB2 PHE 77 2HB PHE 77 -6.817 0.783 24.594 617 HB3 PHE 77 3HB PHE 77 -6.484 -0.861 24.059 618 HD1 PHE 77 HD2 PHE 77 -7.070 1.261 27.017 619 HD2 PHE 77 HD1 PHE 77 -6.784 -2.706 25.502 620 HE1 PHE 77 HE2 PHE 77 -8.000 0.394 29.123 621 HE2 PHE 77 HE1 PHE 77 -7.714 -3.580 27.606 622 HZ PHE 77 HZ PHE 77 -8.323 -2.030 29.420 623 H ASN 78 H ASN 78 -4.484 2.636 24.528 624 HA ASN 78 HA ASN 78 -4.104 4.489 25.791 625 HB2 ASN 78 2HB ASN 78 -5.990 2.969 27.229 626 HB3 ASN 78 3HB ASN 78 -4.807 3.518 28.413 627 HD21 ASN 78 1HD2 ASN 78 -5.965 5.073 25.458 628 HD22 ASN 78 2HD2 ASN 78 -6.592 6.482 26.237 629 H GLU 79 H GLU 79 -2.148 2.197 25.615 630 HA GLU 79 HA GLU 79 -0.455 3.003 27.888 631 HB2 GLU 79 2HB GLU 79 -0.292 0.328 26.506 632 HB3 GLU 79 3HB GLU 79 0.474 0.814 28.013 633 HG2 GLU 79 2HG GLU 79 -2.279 1.181 28.389 634 HG3 GLU 79 3HG GLU 79 -2.093 -0.373 27.579 635 H GLY 80 H GLY 80 -0.153 4.659 25.952 636 HA2 GLY 80 2HA GLY 80 2.038 5.347 25.076 637 HA3 GLY 80 3HA GLY 80 2.209 3.716 24.446 638 H LEU 81 H LEU 81 -0.950 4.570 24.038 639 HA LEU 81 HA LEU 81 -0.719 4.761 21.221 640 HB2 LEU 81 2HB LEU 81 -2.686 3.809 22.213 641 HB3 LEU 81 3HB LEU 81 -3.022 5.302 23.086 642 HG LEU 81 HG LEU 81 -3.080 6.188 20.524 643 HD11 LEU 81 1HD1 LEU 81 -2.807 4.106 19.447 644 HD12 LEU 81 2HD1 LEU 81 -4.522 4.496 19.325 645 HD13 LEU 81 3HD1 LEU 81 -3.968 3.315 20.513 646 HD21 LEU 81 3HD2 LEU 81 -4.738 6.535 22.342 647 HD22 LEU 81 1HD2 LEU 81 -5.421 4.953 21.968 648 HD23 LEU 81 2HD2 LEU 81 -5.469 6.241 20.764 649 H TRP 82 H TRP 82 -1.106 7.132 23.786 650 HA TRP 82 HA TRP 82 -1.576 9.334 22.013 651 HB2 TRP 82 2HB TRP 82 -2.440 9.515 24.236 652 HB3 TRP 82 3HB TRP 82 -0.863 9.177 24.944 653 HD1 TRP 82 HD1 TRP 82 -2.901 11.990 23.370 654 HE1 TRP 82 HE1 TRP 82 -1.696 14.225 23.794 655 HE3 TRP 82 HE3 TRP 82 1.474 10.199 25.317 656 HZ2 TRP 82 HZ2 TRP 82 0.780 15.111 24.818 657 HZ3 TRP 82 HZ3 TRP 82 3.209 11.806 25.994 658 HH2 TRP 82 HH2 TRP 82 2.868 14.211 25.748 659 H GLU 83 H GLU 83 1.175 7.593 22.941 660 HA GLU 83 HA GLU 83 3.065 9.752 22.723 661 HB2 GLU 83 2HB GLU 83 3.272 6.778 23.033 662 HB3 GLU 83 3HB GLU 83 4.692 7.713 22.587 663 HG2 GLU 83 2HG GLU 83 4.809 8.771 24.615 664 HG3 GLU 83 3HG GLU 83 3.088 8.572 24.940 665 H ILE 84 H ILE 84 1.617 7.423 20.591 666 HA ILE 84 HA ILE 84 3.502 7.481 18.503 667 HB ILE 84 HB ILE 84 1.525 5.885 18.793 668 HG12 ILE 84 2HG1 ILE 84 2.060 7.122 16.083 669 HG13 ILE 84 3HG1 ILE 84 3.007 5.847 16.843 670 HG21 ILE 84 1HG2 ILE 84 -0.092 7.575 17.017 671 HG22 ILE 84 2HG2 ILE 84 -0.584 6.517 18.339 672 HG23 ILE 84 3HG2 ILE 84 0.022 8.136 18.685 673 HD11 ILE 84 3HD1 ILE 84 1.680 4.310 15.979 674 HD12 ILE 84 1HD1 ILE 84 0.271 5.048 16.742 675 HD13 ILE 84 2HD1 ILE 84 0.791 5.583 15.143 676 H ASP 85 H ASP 85 1.266 9.822 19.594 677 HA ASP 85 HA ASP 85 1.611 11.362 17.105 678 HB2 ASP 85 2HB ASP 85 -0.762 10.651 18.005 679 HB3 ASP 85 3HB ASP 85 -0.531 12.022 19.087 680 H ASN 86 H ASN 86 2.958 11.086 19.988 681 HA ASN 86 HA ASN 86 3.570 13.947 20.143 682 HB2 ASN 86 2HB ASN 86 2.698 12.198 22.445 683 HB3 ASN 86 3HB ASN 86 3.551 13.722 22.675 684 HD21 ASN 86 1HD2 ASN 86 0.681 12.301 21.195 685 HD22 ASN 86 2HD2 ASN 86 -0.321 13.698 21.373 686 H ASN 87 H ASN 87 4.407 11.013 21.991 687 HA ASN 87 HA ASN 87 7.242 11.605 21.450 688 HB2 ASN 87 2HB ASN 87 6.554 11.746 23.839 689 HB3 ASN 87 3HB ASN 87 6.083 10.050 23.773 690 HD21 ASN 87 1HD2 ASN 87 7.607 9.765 25.501 691 HD22 ASN 87 2HD2 ASN 87 9.288 9.590 25.143 692 HA PRO 88 HA PRO 88 6.242 7.629 19.271 693 HB2 PRO 88 2HB PRO 88 7.605 8.258 17.008 694 HB3 PRO 88 3HB PRO 88 5.920 8.722 17.275 695 HG2 PRO 88 2HG PRO 88 8.409 10.350 17.614 696 HG3 PRO 88 3HG PRO 88 6.859 10.813 16.888 697 HD2 PRO 88 2HD PRO 88 7.552 11.510 19.411 698 HD3 PRO 88 3HD PRO 88 5.871 11.195 18.934 699 H LYS 89 H LYS 89 8.975 9.257 20.417 700 HA LYS 89 HA LYS 89 10.694 6.928 19.862 701 HB2 LYS 89 2HB LYS 89 11.175 9.625 19.341 702 HB3 LYS 89 3HB LYS 89 12.109 9.288 20.793 703 HG2 LYS 89 2HG LYS 89 13.480 7.782 19.729 704 HG3 LYS 89 3HG LYS 89 12.289 7.421 18.477 705 HD2 LYS 89 2HD LYS 89 14.042 8.697 17.472 706 HD3 LYS 89 3HD LYS 89 12.625 9.741 17.603 707 HE2 LYS 89 2HE LYS 89 14.398 11.087 18.314 708 HE3 LYS 89 3HE LYS 89 13.647 10.535 19.810 709 HZ1 LYS 89 3HZ LYS 89 16.284 10.017 18.784 710 HZ2 LYS 89 1HZ LYS 89 15.492 8.623 19.324 711 HZ3 LYS 89 2HZ LYS 89 15.706 9.933 20.371 712 H VAL 90 H VAL 90 8.762 7.176 22.028 713 HA VAL 90 HA VAL 90 9.935 7.870 24.471 714 HB VAL 90 HB VAL 90 7.528 7.447 24.218 715 HG11 VAL 90 1HG1 VAL 90 7.443 5.596 22.750 716 HG12 VAL 90 2HG1 VAL 90 8.425 4.602 23.828 717 HG13 VAL 90 3HG1 VAL 90 6.777 5.035 24.283 718 HG21 VAL 90 3HG2 VAL 90 8.171 5.410 26.223 719 HG22 VAL 90 1HG2 VAL 90 9.086 6.909 26.388 720 HG23 VAL 90 2HG2 VAL 90 7.322 6.946 26.397 721 H LYS 91 H LYS 91 10.496 5.193 22.405 722 HA LYS 91 HA LYS 91 11.265 3.169 24.111 723 HB2 LYS 91 2HB LYS 91 12.802 2.441 22.298 724 HB3 LYS 91 3HB LYS 91 11.185 2.824 21.724 725 HG2 LYS 91 2HG LYS 91 12.220 4.028 20.162 726 HG3 LYS 91 3HG LYS 91 12.478 5.216 21.442 727 HD2 LYS 91 2HD LYS 91 14.672 4.962 21.193 728 HD3 LYS 91 3HD LYS 91 14.513 3.278 21.698 729 HE2 LYS 91 2HE LYS 91 13.824 3.929 18.890 730 HE3 LYS 91 3HE LYS 91 15.529 3.987 19.335 731 HZ1 LYS 91 3HZ LYS 91 13.694 1.669 19.590 732 HZ2 LYS 91 1HZ LYS 91 15.259 1.706 20.231 733 HZ3 LYS 91 2HZ LYS 91 15.027 1.808 18.559 734 H PHE 92 H PHE 92 12.981 6.102 23.260 735 HA PHE 92 HA PHE 92 15.156 5.306 25.082 736 HB2 PHE 92 2HB PHE 92 15.918 5.634 22.768 737 HB3 PHE 92 3HB PHE 92 15.252 7.263 22.776 738 HD1 PHE 92 HD1 PHE 92 16.339 9.048 23.995 739 HD2 PHE 92 HD2 PHE 92 17.951 5.108 23.959 740 HE1 PHE 92 HE1 PHE 92 18.470 9.915 24.868 741 HE2 PHE 92 HE2 PHE 92 20.083 5.969 24.833 742 HZ PHE 92 HZ PHE 92 20.345 8.375 25.289 743 H SER 93 H SER 93 15.609 6.567 26.798 744 HA SER 93 HA SER 93 14.024 9.032 27.105 745 HB2 SER 93 2HB SER 93 13.644 7.008 28.681 746 HB3 SER 93 3HB SER 93 15.176 7.483 29.413 747 HG SER 93 HG SER 93 13.955 8.794 30.518 Start of MODEL 6 1 H MET 1 H MET 1 1.749 0.569 1.371 2 HA MET 1 HA MET 1 1.839 -0.153 -1.285 3 HB2 MET 1 2HB MET 1 3.820 1.667 0.092 4 HB3 MET 1 3HB MET 1 3.396 1.676 -1.614 5 HG2 MET 1 2HG MET 1 1.079 2.287 -0.979 6 HG3 MET 1 3HG MET 1 1.616 2.410 0.695 7 HE1 MET 1 3HE MET 1 1.585 3.732 -2.801 8 HE2 MET 1 1HE MET 1 2.430 5.280 -2.756 9 HE3 MET 1 2HE MET 1 3.349 3.775 -2.787 10 H THR 2 H THR 2 4.133 -0.093 -2.494 11 HA THR 2 HA THR 2 5.556 -2.455 -1.488 12 HB THR 2 HB THR 2 6.409 -2.721 -3.777 13 HG1 THR 2 HG1 THR 2 6.388 -0.993 -4.990 14 HG21 THR 2 3HG2 THR 2 3.521 -2.655 -3.149 15 HG22 THR 2 1HG2 THR 2 4.529 -3.990 -3.704 16 HG23 THR 2 2HG2 THR 2 3.945 -2.788 -4.856 17 H ARG 3 H ARG 3 5.884 0.695 -1.115 18 HA ARG 3 HA ARG 3 8.729 0.877 -1.761 19 HB2 ARG 3 2HB ARG 3 6.977 3.021 -0.560 20 HB3 ARG 3 3HB ARG 3 8.541 3.225 -1.338 21 HG2 ARG 3 2HG ARG 3 6.031 2.305 -2.725 22 HG3 ARG 3 3HG ARG 3 6.663 3.953 -2.748 23 HD2 ARG 3 2HD ARG 3 8.686 3.194 -3.842 24 HD3 ARG 3 3HD ARG 3 8.142 1.520 -3.740 25 HE ARG 3 HE ARG 3 6.837 1.874 -5.583 26 HH11 ARG 3 1HH1 ARG 3 7.768 4.951 -4.245 27 HH12 ARG 3 2HH1 ARG 3 7.112 5.868 -5.561 28 HH21 ARG 3 1HH2 ARG 3 5.970 3.071 -7.320 29 HH22 ARG 3 2HH2 ARG 3 6.089 4.798 -7.309 30 H ASP 4 H ASP 4 10.096 2.019 -0.051 31 HA ASP 4 HA ASP 4 9.788 0.536 2.438 32 HB2 ASP 4 2HB ASP 4 12.085 1.128 2.888 33 HB3 ASP 4 3HB ASP 4 11.968 0.561 1.225 34 H PHE 5 H PHE 5 10.230 1.631 4.508 35 HA PHE 5 HA PHE 5 9.020 4.314 4.528 36 HB2 PHE 5 2HB PHE 5 8.782 1.959 6.325 37 HB3 PHE 5 3HB PHE 5 8.746 3.547 7.083 38 HD1 PHE 5 HD2 PHE 5 6.982 5.170 6.457 39 HD2 PHE 5 HD1 PHE 5 6.948 1.144 5.074 40 HE1 PHE 5 HE2 PHE 5 4.603 5.395 5.871 41 HE2 PHE 5 HE1 PHE 5 4.569 1.363 4.485 42 HZ PHE 5 HZ PHE 5 3.393 3.490 4.885 43 H LYS 6 H LYS 6 9.643 5.442 6.756 44 HA LYS 6 HA LYS 6 12.586 5.431 6.857 45 HB2 LYS 6 2HB LYS 6 10.551 7.600 6.990 46 HB3 LYS 6 3HB LYS 6 12.016 7.800 7.941 47 HG2 LYS 6 2HG LYS 6 13.385 7.797 6.042 48 HG3 LYS 6 3HG LYS 6 12.110 7.128 5.020 49 HD2 LYS 6 2HD LYS 6 10.828 9.222 5.319 50 HD3 LYS 6 3HD LYS 6 12.174 9.885 6.248 51 HE2 LYS 6 2HE LYS 6 12.374 10.706 4.022 52 HE3 LYS 6 3HE LYS 6 13.629 9.489 4.248 53 HZ1 LYS 6 3HZ LYS 6 11.297 8.250 3.277 54 HZ2 LYS 6 1HZ LYS 6 12.819 8.358 2.545 55 HZ3 LYS 6 2HZ LYS 6 11.666 9.566 2.280 56 HA PRO 7 HA PRO 7 12.617 4.397 11.120 57 HB2 PRO 7 2HB PRO 7 14.604 5.971 12.092 58 HB3 PRO 7 3HB PRO 7 14.907 4.575 11.052 59 HG2 PRO 7 2HG PRO 7 14.790 7.480 10.337 60 HG3 PRO 7 3HG PRO 7 15.943 6.242 9.805 61 HD2 PRO 7 2HD PRO 7 13.870 7.059 8.267 62 HD3 PRO 7 3HD PRO 7 14.499 5.400 8.218 63 H GLY 8 H GLY 8 11.177 4.912 12.638 64 HA2 GLY 8 2HA GLY 8 10.267 6.216 14.357 65 HA3 GLY 8 3HA GLY 8 11.073 7.626 13.684 66 H ASP 9 H ASP 9 9.284 5.650 11.512 67 HA ASP 9 HA ASP 9 7.374 7.813 11.130 68 HB2 ASP 9 2HB ASP 9 8.344 5.521 9.523 69 HB3 ASP 9 3HB ASP 9 6.668 5.994 9.264 70 H LEU 10 H LEU 10 5.219 7.694 11.522 71 HA LEU 10 HA LEU 10 4.316 5.586 13.273 72 HB2 LEU 10 2HB LEU 10 2.875 7.992 12.167 73 HB3 LEU 10 3HB LEU 10 2.240 6.905 13.400 74 HG LEU 10 HG LEU 10 2.976 8.764 14.598 75 HD11 LEU 10 1HD1 LEU 10 4.360 7.793 16.091 76 HD12 LEU 10 2HD1 LEU 10 5.537 7.325 14.864 77 HD13 LEU 10 3HD1 LEU 10 4.075 6.366 15.094 78 HD21 LEU 10 3HD2 LEU 10 4.603 10.189 13.983 79 HD22 LEU 10 1HD2 LEU 10 4.476 9.371 12.425 80 HD23 LEU 10 2HD2 LEU 10 5.728 8.893 13.572 81 H ILE 11 H ILE 11 3.598 3.725 12.489 82 HA ILE 11 HA ILE 11 1.628 3.737 10.351 83 HB ILE 11 HB ILE 11 2.771 1.946 9.094 84 HG12 ILE 11 2HG1 ILE 11 5.385 1.994 9.617 85 HG13 ILE 11 3HG1 ILE 11 4.802 2.369 11.235 86 HG21 ILE 11 1HG2 ILE 11 2.964 4.412 8.552 87 HG22 ILE 11 2HG2 ILE 11 4.564 4.351 9.290 88 HG23 ILE 11 3HG2 ILE 11 4.210 3.365 7.872 89 HD11 ILE 11 3HD1 ILE 11 3.241 0.232 10.448 90 HD12 ILE 11 1HD1 ILE 11 4.843 -0.147 9.815 91 HD13 ILE 11 2HD1 ILE 11 4.628 0.181 11.535 92 H PHE 12 H PHE 12 0.210 2.031 10.435 93 HA PHE 12 HA PHE 12 0.186 0.534 12.901 94 HB2 PHE 12 2HB PHE 12 -1.724 1.037 10.679 95 HB3 PHE 12 3HB PHE 12 -1.943 -0.444 11.604 96 HD1 PHE 12 HD1 PHE 12 -1.029 3.068 12.483 97 HD2 PHE 12 HD2 PHE 12 -3.628 -0.239 13.138 98 HE1 PHE 12 HE1 PHE 12 -2.201 4.340 14.232 99 HE2 PHE 12 HE2 PHE 12 -4.805 1.029 14.887 100 HZ PHE 12 HZ PHE 12 -4.093 3.322 15.436 101 H ALA 13 H ALA 13 1.321 -1.273 13.102 102 HA ALA 13 HA ALA 13 2.133 -2.824 10.815 103 HB1 ALA 13 1HB ALA 13 2.611 -4.118 13.351 104 HB2 ALA 13 2HB ALA 13 3.763 -3.520 12.157 105 HB3 ALA 13 3HB ALA 13 3.121 -2.430 13.385 106 H LYS 14 H LYS 14 1.077 -4.482 9.956 107 HA LYS 14 HA LYS 14 -1.122 -5.690 11.492 108 HB2 LYS 14 2HB LYS 14 -1.830 -4.623 9.417 109 HB3 LYS 14 3HB LYS 14 -0.663 -5.572 8.506 110 HG2 LYS 14 2HG LYS 14 -2.719 -6.625 8.149 111 HG3 LYS 14 3HG LYS 14 -1.900 -7.624 9.352 112 HD2 LYS 14 2HD LYS 14 -3.224 -6.739 11.113 113 HD3 LYS 14 3HD LYS 14 -3.861 -5.457 10.080 114 HE2 LYS 14 2HE LYS 14 -5.447 -7.344 10.500 115 HE3 LYS 14 3HE LYS 14 -5.127 -7.019 8.797 116 HZ1 LYS 14 3HZ LYS 14 -5.107 -9.413 9.433 117 HZ2 LYS 14 1HZ LYS 14 -3.717 -9.115 10.350 118 HZ3 LYS 14 2HZ LYS 14 -3.691 -8.883 8.675 119 H MET 15 H MET 15 -0.390 -7.464 12.496 120 HA MET 15 HA MET 15 1.586 -9.176 11.235 121 HB2 MET 15 2HB MET 15 0.519 -8.788 13.942 122 HB3 MET 15 3HB MET 15 0.825 -10.470 13.530 123 HG2 MET 15 2HG MET 15 3.131 -9.674 12.772 124 HG3 MET 15 3HG MET 15 2.760 -8.189 13.645 125 HE1 MET 15 3HE MET 15 3.473 -11.699 13.476 126 HE2 MET 15 1HE MET 15 4.824 -11.560 14.602 127 HE3 MET 15 2HE MET 15 3.349 -12.391 15.094 128 H LYS 16 H LYS 16 1.221 -11.140 10.353 129 HA LYS 16 HA LYS 16 -1.247 -11.829 9.318 130 HB2 LYS 16 2HB LYS 16 1.205 -13.481 9.888 131 HB3 LYS 16 3HB LYS 16 -0.217 -14.171 9.117 132 HG2 LYS 16 2HG LYS 16 -0.012 -12.392 7.363 133 HG3 LYS 16 3HG LYS 16 1.540 -11.960 8.085 134 HD2 LYS 16 2HD LYS 16 2.158 -13.424 6.395 135 HD3 LYS 16 3HD LYS 16 2.088 -14.479 7.808 136 HE2 LYS 16 2HE LYS 16 0.163 -15.519 7.103 137 HE3 LYS 16 3HE LYS 16 -0.359 -14.137 6.142 138 HZ1 LYS 16 3HZ LYS 16 0.676 -14.921 4.351 139 HZ2 LYS 16 1HZ LYS 16 0.810 -16.390 5.178 140 HZ3 LYS 16 2HZ LYS 16 2.092 -15.287 5.201 141 H GLY 17 H GLY 17 -3.050 -12.241 10.420 142 HA2 GLY 17 2HA GLY 17 -4.387 -13.772 11.651 143 HA3 GLY 17 3HA GLY 17 -2.948 -14.286 12.520 144 H TYR 18 H TYR 18 -3.223 -10.916 12.186 145 HA TYR 18 HA TYR 18 -4.699 -10.571 14.672 146 HB2 TYR 18 2HB TYR 18 -1.932 -9.400 14.406 147 HB3 TYR 18 3HB TYR 18 -2.963 -9.424 15.832 148 HD1 TYR 18 HD2 TYR 18 -0.863 -11.508 13.620 149 HD2 TYR 18 HD1 TYR 18 -2.988 -11.297 17.300 150 HE1 TYR 18 HE2 TYR 18 0.215 -13.592 14.355 151 HE2 TYR 18 HE1 TYR 18 -1.914 -13.381 18.046 152 HH TYR 18 HH TYR 18 -0.353 -14.912 17.595 153 HA PRO 19 HA PRO 19 -6.100 -6.892 12.729 154 HB2 PRO 19 2HB PRO 19 -6.625 -5.338 14.891 155 HB3 PRO 19 3HB PRO 19 -7.627 -6.721 14.436 156 HG2 PRO 19 2HG PRO 19 -5.480 -6.539 16.514 157 HG3 PRO 19 3HG PRO 19 -7.067 -7.324 16.611 158 HD2 PRO 19 2HD PRO 19 -4.783 -8.707 16.159 159 HD3 PRO 19 3HD PRO 19 -6.348 -9.200 15.482 160 H HIS 20 H HIS 20 -5.764 -4.456 12.752 161 HA HIS 20 HA HIS 20 -2.977 -3.916 12.499 162 HB2 HIS 20 2HB HIS 20 -5.258 -1.932 12.465 163 HB3 HIS 20 3HB HIS 20 -3.647 -1.703 11.790 164 HD1 HIS 20 HD1 HIS 20 -6.799 -3.704 11.207 165 HD2 HIS 20 HD2 HIS 20 -3.329 -2.588 9.214 166 HE1 HIS 20 HE1 HIS 20 -7.131 -4.429 8.821 167 H TRP 21 H TRP 21 -1.672 -2.533 13.697 168 HA TRP 21 HA TRP 21 -2.721 -1.384 16.156 169 HB2 TRP 21 2HB TRP 21 -2.109 -3.588 16.918 170 HB3 TRP 21 3HB TRP 21 -0.545 -3.483 16.112 171 HD1 TRP 21 HD1 TRP 21 1.269 -1.759 17.221 172 HE1 TRP 21 HE1 TRP 21 1.564 -1.011 19.666 173 HE3 TRP 21 HE3 TRP 21 -3.322 -3.089 19.034 174 HZ2 TRP 21 HZ2 TRP 21 0.050 -0.989 22.048 175 HZ3 TRP 21 HZ3 TRP 21 -3.819 -2.671 21.407 176 HH2 TRP 21 HH2 TRP 21 -2.166 -1.643 22.881 177 HA PRO 22 HA PRO 22 0.124 1.782 15.000 178 HB2 PRO 22 2HB PRO 22 0.152 3.156 17.342 179 HB3 PRO 22 3HB PRO 22 -1.210 3.204 16.216 180 HG2 PRO 22 2HG PRO 22 -0.875 1.592 18.716 181 HG3 PRO 22 3HG PRO 22 -2.298 2.478 18.138 182 HD2 PRO 22 2HD PRO 22 -2.039 -0.203 17.860 183 HD3 PRO 22 3HD PRO 22 -2.907 0.800 16.680 184 H ALA 23 H ALA 23 2.220 1.320 14.759 185 HA ALA 23 HA ALA 23 3.831 0.860 17.175 186 HB1 ALA 23 1HB ALA 23 3.640 -1.317 16.315 187 HB2 ALA 23 2HB ALA 23 3.846 -0.768 14.651 188 HB3 ALA 23 3HB ALA 23 5.214 -0.743 15.763 189 H ARG 24 H ARG 24 6.307 0.783 16.245 190 HA ARG 24 HA ARG 24 6.613 3.211 14.605 191 HB2 ARG 24 2HB ARG 24 7.126 3.777 16.895 192 HB3 ARG 24 3HB ARG 24 8.185 2.381 17.046 193 HG2 ARG 24 2HG ARG 24 8.855 4.283 14.897 194 HG3 ARG 24 3HG ARG 24 9.057 4.866 16.551 195 HD2 ARG 24 2HD ARG 24 10.225 2.305 15.468 196 HD3 ARG 24 3HD ARG 24 11.103 3.827 15.620 197 HE ARG 24 HE ARG 24 10.097 3.302 18.124 198 HH11 ARG 24 1HH1 ARG 24 12.203 1.692 15.867 199 HH12 ARG 24 2HH1 ARG 24 13.122 0.890 17.097 200 HH21 ARG 24 1HH2 ARG 24 11.300 2.251 19.752 201 HH22 ARG 24 2HH2 ARG 24 12.607 1.208 19.306 202 H VAL 25 H VAL 25 8.434 3.313 13.245 203 HA VAL 25 HA VAL 25 9.448 0.684 12.468 204 HB VAL 25 HB VAL 25 9.652 3.340 11.043 205 HG11 VAL 25 1HG1 VAL 25 10.130 1.582 9.117 206 HG12 VAL 25 2HG1 VAL 25 11.422 2.229 10.130 207 HG13 VAL 25 3HG1 VAL 25 10.743 0.638 10.474 208 HG21 VAL 25 3HG2 VAL 25 7.652 2.941 10.154 209 HG22 VAL 25 1HG2 VAL 25 8.114 1.297 9.714 210 HG23 VAL 25 2HG2 VAL 25 7.463 1.630 11.318 211 H ASP 26 H ASP 26 11.552 0.100 12.568 212 HA ASP 26 HA ASP 26 13.377 1.974 13.902 213 HB2 ASP 26 2HB ASP 26 12.794 -0.440 14.766 214 HB3 ASP 26 3HB ASP 26 13.984 -0.938 13.567 215 H GLU 27 H GLU 27 15.737 1.672 13.296 216 HA GLU 27 HA GLU 27 15.947 1.946 10.416 217 HB2 GLU 27 2HB GLU 27 17.137 3.277 12.454 218 HB3 GLU 27 3HB GLU 27 18.389 2.102 12.073 219 HG2 GLU 27 2HG GLU 27 18.480 2.862 9.794 220 HG3 GLU 27 3HG GLU 27 17.120 3.950 10.066 221 H VAL 28 H VAL 28 17.899 0.967 9.326 222 HA VAL 28 HA VAL 28 17.745 -1.837 9.443 223 HB VAL 28 HB VAL 28 19.809 -1.769 7.978 224 HG11 VAL 28 1HG1 VAL 28 18.565 -1.264 6.106 225 HG12 VAL 28 2HG1 VAL 28 17.297 -1.554 7.299 226 HG13 VAL 28 3HG1 VAL 28 17.754 0.097 6.880 227 HG21 VAL 28 3HG2 VAL 28 19.462 1.132 7.591 228 HG22 VAL 28 1HG2 VAL 28 20.267 0.646 9.084 229 HG23 VAL 28 2HG2 VAL 28 20.921 0.143 7.525 230 HA PRO 29 HA PRO 29 20.622 -3.025 12.539 231 HB2 PRO 29 2HB PRO 29 21.633 -5.308 11.475 232 HB3 PRO 29 3HB PRO 29 19.993 -5.195 12.123 233 HG2 PRO 29 2HG PRO 29 20.919 -5.057 9.280 234 HG3 PRO 29 3HG PRO 29 19.525 -5.915 9.962 235 HD2 PRO 29 2HD PRO 29 19.292 -3.533 8.696 236 HD3 PRO 29 3HD PRO 29 18.229 -4.011 10.035 237 H ASP 30 H ASP 30 22.970 -3.821 12.787 238 HA ASP 30 HA ASP 30 24.700 -1.882 11.742 239 HB2 ASP 30 2HB ASP 30 25.047 -3.189 13.858 240 HB3 ASP 30 3HB ASP 30 25.505 -4.571 12.865 241 H GLY 31 H GLY 31 23.589 -4.840 10.415 242 HA2 GLY 31 2HA GLY 31 23.973 -4.951 7.948 243 HA3 GLY 31 3HA GLY 31 25.669 -4.682 8.320 244 H ALA 32 H ALA 32 25.823 -6.398 10.585 245 HA ALA 32 HA ALA 32 25.568 -9.009 9.244 246 HB1 ALA 32 1HB ALA 32 27.541 -9.726 10.258 247 HB2 ALA 32 2HB ALA 32 27.886 -8.056 9.805 248 HB3 ALA 32 3HB ALA 32 27.489 -8.453 11.477 249 H VAL 33 H VAL 33 23.639 -7.517 11.029 250 HA VAL 33 HA VAL 33 23.511 -9.286 13.350 251 HB VAL 33 HB VAL 33 21.547 -7.095 12.736 252 HG11 VAL 33 1HG1 VAL 33 22.016 -7.152 15.433 253 HG12 VAL 33 2HG1 VAL 33 20.683 -7.965 14.609 254 HG13 VAL 33 3HG1 VAL 33 22.161 -8.852 14.987 255 HG21 VAL 33 3HG2 VAL 33 24.253 -6.812 14.036 256 HG22 VAL 33 1HG2 VAL 33 23.701 -6.043 12.549 257 HG23 VAL 33 2HG2 VAL 33 22.983 -5.590 14.095 258 H LYS 34 H LYS 34 23.029 -10.373 10.720 259 HA LYS 34 HA LYS 34 21.550 -11.668 9.565 260 HB2 LYS 34 2HB LYS 34 21.638 -12.614 12.038 261 HB3 LYS 34 3HB LYS 34 19.958 -12.094 12.054 262 HG2 LYS 34 2HG LYS 34 20.818 -13.696 9.727 263 HG3 LYS 34 3HG LYS 34 20.733 -14.529 11.281 264 HD2 LYS 34 2HD LYS 34 18.488 -12.881 10.125 265 HD3 LYS 34 3HD LYS 34 18.630 -14.630 9.930 266 HE2 LYS 34 2HE LYS 34 18.842 -13.617 12.691 267 HE3 LYS 34 3HE LYS 34 17.262 -13.441 11.928 268 HZ1 LYS 34 3HZ LYS 34 18.372 -16.026 11.472 269 HZ2 LYS 34 1HZ LYS 34 16.878 -15.603 12.143 270 HZ3 LYS 34 2HZ LYS 34 18.250 -15.696 13.127 271 HA PRO 35 HA PRO 35 18.384 -8.240 9.462 272 HB2 PRO 35 2HB PRO 35 18.833 -7.560 6.873 273 HB3 PRO 35 3HB PRO 35 19.743 -6.866 8.219 274 HG2 PRO 35 2HG PRO 35 20.507 -9.085 6.361 275 HG3 PRO 35 3HG PRO 35 21.490 -7.734 6.954 276 HD2 PRO 35 2HD PRO 35 21.657 -10.226 8.000 277 HD3 PRO 35 3HD PRO 35 21.913 -8.763 8.972 278 HA PRO 36 HA PRO 36 15.269 -10.626 7.476 279 HB2 PRO 36 2HB PRO 36 13.682 -8.714 6.382 280 HB3 PRO 36 3HB PRO 36 13.760 -9.018 8.121 281 HG2 PRO 36 2HG PRO 36 15.126 -6.900 6.506 282 HG3 PRO 36 3HG PRO 36 14.319 -6.761 8.079 283 HD2 PRO 36 2HD PRO 36 17.010 -6.932 7.831 284 HD3 PRO 36 3HD PRO 36 16.136 -7.599 9.225 285 H THR 37 H THR 37 14.076 -10.905 5.339 286 HA THR 37 HA THR 37 16.005 -10.548 3.149 287 HB THR 37 HB THR 37 15.486 -12.875 3.588 288 HG1 THR 37 HG1 THR 37 15.527 -13.116 1.494 289 HG21 THR 37 3HG2 THR 37 12.607 -12.091 3.119 290 HG22 THR 37 1HG2 THR 37 13.310 -12.612 4.649 291 HG23 THR 37 2HG2 THR 37 13.197 -13.743 3.300 292 H ASN 38 H ASN 38 12.702 -9.960 4.129 293 HA ASN 38 HA ASN 38 12.385 -8.021 2.020 294 HB2 ASN 38 2HB ASN 38 10.992 -10.654 1.955 295 HB3 ASN 38 3HB ASN 38 10.064 -9.228 1.498 296 HD21 ASN 38 1HD2 ASN 38 11.637 -7.696 0.097 297 HD22 ASN 38 2HD2 ASN 38 12.293 -8.506 -1.281 298 H LYS 39 H LYS 39 12.403 -8.147 4.954 299 HA LYS 39 HA LYS 39 9.812 -6.841 5.404 300 HB2 LYS 39 2HB LYS 39 11.095 -8.636 7.461 301 HB3 LYS 39 3HB LYS 39 9.491 -7.917 7.509 302 HG2 LYS 39 2HG LYS 39 8.885 -9.310 5.533 303 HG3 LYS 39 3HG LYS 39 10.449 -10.114 5.689 304 HD2 LYS 39 2HD LYS 39 9.613 -11.471 7.238 305 HD3 LYS 39 3HD LYS 39 9.180 -10.085 8.242 306 HE2 LYS 39 2HE LYS 39 7.129 -11.087 7.929 307 HE3 LYS 39 3HE LYS 39 7.146 -9.905 6.621 308 HZ1 LYS 39 3HZ LYS 39 6.399 -12.128 5.917 309 HZ2 LYS 39 1HZ LYS 39 7.920 -12.755 6.315 310 HZ3 LYS 39 2HZ LYS 39 7.774 -11.610 5.079 311 H LEU 40 H LEU 40 9.895 -5.674 7.634 312 HA LEU 40 HA LEU 40 12.563 -4.536 8.089 313 HB2 LEU 40 2HB LEU 40 11.196 -2.323 8.437 314 HB3 LEU 40 3HB LEU 40 11.763 -2.807 6.840 315 HG LEU 40 HG LEU 40 9.022 -3.623 7.665 316 HD11 LEU 40 1HD1 LEU 40 8.551 -1.250 6.426 317 HD12 LEU 40 2HD1 LEU 40 9.942 -0.851 7.433 318 HD13 LEU 40 3HD1 LEU 40 8.481 -1.509 8.169 319 HD21 LEU 40 3HD2 LEU 40 8.776 -4.015 5.481 320 HD22 LEU 40 1HD2 LEU 40 10.529 -3.848 5.377 321 HD23 LEU 40 2HD2 LEU 40 9.490 -2.465 5.033 322 HA PRO 41 HA PRO 41 11.683 -4.849 12.376 323 HB2 PRO 41 2HB PRO 41 12.883 -2.628 13.374 324 HB3 PRO 41 3HB PRO 41 13.789 -4.019 12.769 325 HG2 PRO 41 2HG PRO 41 13.164 -1.428 11.407 326 HG3 PRO 41 3HG PRO 41 14.685 -2.340 11.433 327 HD2 PRO 41 2HD PRO 41 12.973 -2.421 9.337 328 HD3 PRO 41 3HD PRO 41 13.978 -3.808 9.803 329 H ILE 42 H ILE 42 9.768 -4.569 13.315 330 HA ILE 42 HA ILE 42 8.560 -1.881 13.276 331 HB ILE 42 HB ILE 42 7.010 -4.469 13.290 332 HG12 ILE 42 2HG1 ILE 42 8.189 -4.269 11.166 333 HG13 ILE 42 3HG1 ILE 42 6.473 -3.959 10.930 334 HG21 ILE 42 1HG2 ILE 42 6.330 -1.685 13.666 335 HG22 ILE 42 2HG2 ILE 42 5.444 -2.392 12.315 336 HG23 ILE 42 3HG2 ILE 42 5.348 -3.129 13.915 337 HD11 ILE 42 3HD1 ILE 42 7.064 -2.110 9.869 338 HD12 ILE 42 1HD1 ILE 42 7.571 -1.461 11.428 339 HD13 ILE 42 2HD1 ILE 42 8.741 -2.272 10.387 340 H PHE 43 H PHE 43 9.046 -1.166 15.284 341 HA PHE 43 HA PHE 43 8.941 -2.862 17.594 342 HB2 PHE 43 2HB PHE 43 10.489 -0.894 17.331 343 HB3 PHE 43 3HB PHE 43 9.088 0.155 17.525 344 HD1 PHE 43 HD2 PHE 43 10.325 -2.898 19.284 345 HD2 PHE 43 HD1 PHE 43 9.058 1.154 19.582 346 HE1 PHE 43 HE2 PHE 43 10.595 -2.997 21.727 347 HE2 PHE 43 HE1 PHE 43 9.326 1.062 22.026 348 HZ PHE 43 HZ PHE 43 10.094 -1.016 23.102 349 H PHE 44 H PHE 44 7.010 -3.591 18.233 350 HA PHE 44 HA PHE 44 4.568 -2.207 17.849 351 HB2 PHE 44 2HB PHE 44 5.414 -4.666 19.312 352 HB3 PHE 44 3HB PHE 44 3.843 -3.970 19.695 353 HD1 PHE 44 HD1 PHE 44 2.724 -3.108 17.248 354 HD2 PHE 44 HD2 PHE 44 5.180 -6.508 17.974 355 HE1 PHE 44 HE1 PHE 44 1.749 -4.226 15.285 356 HE2 PHE 44 HE2 PHE 44 4.210 -7.631 16.012 357 HZ PHE 44 HZ PHE 44 2.493 -6.491 14.664 358 H PHE 45 H PHE 45 4.130 -0.343 18.831 359 HA PHE 45 HA PHE 45 5.260 0.433 21.322 360 HB2 PHE 45 2HB PHE 45 3.587 1.627 19.271 361 HB3 PHE 45 3HB PHE 45 3.045 2.073 20.885 362 HD1 PHE 45 HD1 PHE 45 6.118 1.902 18.795 363 HD2 PHE 45 HD2 PHE 45 4.067 3.824 21.990 364 HE1 PHE 45 HE1 PHE 45 7.904 3.590 18.921 365 HE2 PHE 45 HE2 PHE 45 5.848 5.516 22.121 366 HZ PHE 45 HZ PHE 45 7.770 5.400 20.585 367 H GLY 46 H GLY 46 4.399 0.467 23.358 368 HA2 GLY 46 2HA GLY 46 2.701 0.257 24.979 369 HA3 GLY 46 3HA GLY 46 1.650 -0.439 23.755 370 H THR 47 H THR 47 3.503 -2.403 22.807 371 HA THR 47 HA THR 47 3.419 -4.247 25.098 372 HB THR 47 HB THR 47 3.355 -6.073 23.482 373 HG1 THR 47 HG1 THR 47 3.161 -5.522 21.228 374 HG21 THR 47 3HG2 THR 47 1.324 -3.972 22.729 375 HG22 THR 47 1HG2 THR 47 1.241 -4.957 24.189 376 HG23 THR 47 2HG2 THR 47 1.141 -5.721 22.602 377 H HIS 48 H HIS 48 5.551 -2.416 23.350 378 HA HIS 48 HA HIS 48 7.804 -2.438 23.001 379 HB2 HIS 48 2HB HIS 48 7.507 -3.959 25.580 380 HB3 HIS 48 3HB HIS 48 9.094 -3.645 24.885 381 HD1 HIS 48 HD1 HIS 48 7.993 -0.699 23.882 382 HD2 HIS 48 HD2 HIS 48 8.180 -2.243 27.734 383 HE1 HIS 48 HE1 HIS 48 8.033 1.300 25.406 384 H GLU 49 H GLU 49 6.274 -4.481 21.634 385 HA GLU 49 HA GLU 49 8.116 -6.758 21.584 386 HB2 GLU 49 2HB GLU 49 5.388 -6.357 20.351 387 HB3 GLU 49 3HB GLU 49 6.373 -7.791 20.105 388 HG2 GLU 49 2HG GLU 49 5.044 -6.837 22.609 389 HG3 GLU 49 3HG GLU 49 4.879 -8.387 21.786 390 H THR 50 H THR 50 8.316 -7.701 19.234 391 HA THR 50 HA THR 50 8.695 -5.594 17.249 392 HB THR 50 HB THR 50 10.861 -5.540 18.170 393 HG1 THR 50 HG1 THR 50 11.500 -5.714 16.158 394 HG21 THR 50 3HG2 THR 50 12.020 -8.004 18.175 395 HG22 THR 50 1HG2 THR 50 10.372 -8.395 18.664 396 HG23 THR 50 2HG2 THR 50 11.314 -7.229 19.592 397 H ALA 51 H ALA 51 7.979 -6.265 15.340 398 HA ALA 51 HA ALA 51 8.176 -9.114 14.656 399 HB1 ALA 51 1HB ALA 51 5.696 -7.480 14.153 400 HB2 ALA 51 2HB ALA 51 5.926 -9.204 13.860 401 HB3 ALA 51 3HB ALA 51 5.890 -8.587 15.512 402 H PHE 52 H PHE 52 8.917 -9.474 12.658 403 HA PHE 52 HA PHE 52 9.544 -7.207 10.977 404 HB2 PHE 52 2HB PHE 52 10.164 -10.152 10.807 405 HB3 PHE 52 3HB PHE 52 10.579 -9.031 9.515 406 HD1 PHE 52 HD2 PHE 52 11.647 -6.727 10.695 407 HD2 PHE 52 HD1 PHE 52 11.991 -10.750 12.042 408 HE1 PHE 52 HE2 PHE 52 13.735 -6.154 11.863 409 HE2 PHE 52 HE1 PHE 52 14.079 -10.183 13.214 410 HZ PHE 52 HZ PHE 52 14.954 -7.882 13.124 411 H LEU 53 H LEU 53 8.259 -6.466 9.434 412 HA LEU 53 HA LEU 53 6.632 -8.318 7.877 413 HB2 LEU 53 2HB LEU 53 5.397 -5.840 9.044 414 HB3 LEU 53 3HB LEU 53 4.595 -7.160 8.194 415 HG LEU 53 HG LEU 53 5.917 -7.523 10.874 416 HD11 LEU 53 1HD1 LEU 53 4.100 -6.798 11.988 417 HD12 LEU 53 2HD1 LEU 53 2.982 -7.328 10.732 418 HD13 LEU 53 3HD1 LEU 53 3.864 -5.812 10.545 419 HD21 LEU 53 3HD2 LEU 53 4.825 -9.297 8.995 420 HD22 LEU 53 1HD2 LEU 53 3.648 -9.182 10.303 421 HD23 LEU 53 2HD2 LEU 53 5.313 -9.647 10.654 422 H GLY 54 H GLY 54 6.642 -7.812 5.774 423 HA2 GLY 54 2HA GLY 54 8.261 -5.794 4.730 424 HA3 GLY 54 3HA GLY 54 7.029 -6.662 3.826 425 HA PRO 55 HA PRO 55 5.914 -2.113 4.317 426 HB2 PRO 55 2HB PRO 55 5.946 -1.500 1.672 427 HB3 PRO 55 3HB PRO 55 7.373 -1.369 2.706 428 HG2 PRO 55 2HG PRO 55 6.601 -3.554 0.811 429 HG3 PRO 55 3HG PRO 55 8.188 -2.806 1.069 430 HD2 PRO 55 2HD PRO 55 7.512 -5.198 2.144 431 HD3 PRO 55 3HD PRO 55 8.615 -4.066 2.952 432 H LYS 56 H LYS 56 4.945 -4.567 1.957 433 HA LYS 56 HA LYS 56 2.396 -3.444 1.399 434 HB2 LYS 56 2HB LYS 56 3.563 -6.194 1.001 435 HB3 LYS 56 3HB LYS 56 1.913 -5.801 0.539 436 HG2 LYS 56 2HG LYS 56 2.744 -4.071 -0.971 437 HG3 LYS 56 3HG LYS 56 4.401 -4.465 -0.508 438 HD2 LYS 56 2HD LYS 56 2.532 -6.525 -1.646 439 HD3 LYS 56 3HD LYS 56 3.513 -5.481 -2.678 440 HE2 LYS 56 2HE LYS 56 5.536 -6.326 -1.715 441 HE3 LYS 56 3HE LYS 56 4.640 -7.216 -0.485 442 HZ1 LYS 56 3HZ LYS 56 3.689 -8.591 -2.240 443 HZ2 LYS 56 1HZ LYS 56 5.378 -8.680 -2.246 444 HZ3 LYS 56 2HZ LYS 56 4.577 -7.747 -3.407 445 H ASP 57 H ASP 57 3.617 -5.017 4.110 446 HA ASP 57 HA ASP 57 1.022 -6.085 4.932 447 HB2 ASP 57 2HB ASP 57 3.838 -6.466 5.816 448 HB3 ASP 57 3HB ASP 57 2.577 -6.653 7.031 449 H ILE 58 H ILE 58 3.283 -3.518 5.665 450 HA ILE 58 HA ILE 58 1.717 -2.651 7.966 451 HB ILE 58 HB ILE 58 3.447 -0.860 8.159 452 HG12 ILE 58 2HG1 ILE 58 4.867 -2.403 5.981 453 HG13 ILE 58 3HG1 ILE 58 4.042 -0.870 5.721 454 HG21 ILE 58 1HG2 ILE 58 3.527 -3.335 9.080 455 HG22 ILE 58 2HG2 ILE 58 4.939 -3.425 8.028 456 HG23 ILE 58 3HG2 ILE 58 4.872 -2.219 9.312 457 HD11 ILE 58 3HD1 ILE 58 5.563 0.235 7.240 458 HD12 ILE 58 1HD1 ILE 58 6.359 -1.299 7.592 459 HD13 ILE 58 2HD1 ILE 58 6.459 -0.603 5.974 460 H PHE 59 H PHE 59 0.539 -0.777 8.065 461 HA PHE 59 HA PHE 59 0.202 0.696 5.535 462 HB2 PHE 59 2HB PHE 59 -1.799 -0.546 7.324 463 HB3 PHE 59 3HB PHE 59 -2.194 1.068 6.743 464 HD1 PHE 59 HD2 PHE 59 -0.994 -2.226 5.481 465 HD2 PHE 59 HD1 PHE 59 -3.272 1.289 4.724 466 HE1 PHE 59 HE2 PHE 59 -1.761 -3.187 3.350 467 HE2 PHE 59 HE1 PHE 59 -4.043 0.333 2.591 468 HZ PHE 59 HZ PHE 59 -3.287 -1.906 1.902 469 HA PRO 60 HA PRO 60 0.880 4.464 7.675 470 HB2 PRO 60 2HB PRO 60 -0.959 6.127 6.568 471 HB3 PRO 60 3HB PRO 60 0.472 5.561 5.698 472 HG2 PRO 60 2HG PRO 60 -2.345 4.555 5.570 473 HG3 PRO 60 3HG PRO 60 -1.197 4.839 4.248 474 HD2 PRO 60 2HD PRO 60 -1.680 2.372 5.253 475 HD3 PRO 60 3HD PRO 60 -0.096 2.847 4.608 476 H TYR 61 H TYR 61 0.382 5.140 9.661 477 HA TYR 61 HA TYR 61 -1.950 4.295 11.008 478 HB2 TYR 61 2HB TYR 61 -0.948 5.104 12.884 479 HB3 TYR 61 3HB TYR 61 0.466 5.140 11.837 480 HD1 TYR 61 HD1 TYR 61 0.906 7.359 10.569 481 HD2 TYR 61 HD2 TYR 61 -1.637 7.045 13.966 482 HE1 TYR 61 HE1 TYR 61 1.138 9.777 10.959 483 HE2 TYR 61 HE2 TYR 61 -1.413 9.461 14.365 484 HH TYR 61 HH TYR 61 -0.725 11.580 12.488 485 H SER 62 H SER 62 -1.397 6.887 8.905 486 HA SER 62 HA SER 62 -3.161 8.818 9.992 487 HB2 SER 62 2HB SER 62 -1.360 9.071 8.130 488 HB3 SER 62 3HB SER 62 -2.647 8.552 7.042 489 HG SER 62 HG SER 62 -2.470 10.867 7.337 490 H GLU 63 H GLU 63 -3.686 5.858 8.373 491 HA GLU 63 HA GLU 63 -6.390 6.588 7.544 492 HB2 GLU 63 2HB GLU 63 -4.632 4.201 7.055 493 HB3 GLU 63 3HB GLU 63 -6.359 4.129 6.735 494 HG2 GLU 63 2HG GLU 63 -4.647 6.288 5.564 495 HG3 GLU 63 3HG GLU 63 -4.786 4.704 4.803 496 H ASN 64 H ASN 64 -4.694 4.546 9.849 497 HA ASN 64 HA ASN 64 -7.106 3.324 10.841 498 HB2 ASN 64 2HB ASN 64 -4.292 3.325 11.957 499 HB3 ASN 64 3HB ASN 64 -5.618 2.327 12.546 500 HD21 ASN 64 1HD2 ASN 64 -6.576 0.816 11.010 501 HD22 ASN 64 2HD2 ASN 64 -5.561 0.092 9.814 502 H LYS 65 H LYS 65 -4.878 5.855 11.909 503 HA LYS 65 HA LYS 65 -5.925 6.342 14.438 504 HB2 LYS 65 2HB LYS 65 -4.799 8.421 14.378 505 HB3 LYS 65 3HB LYS 65 -3.835 7.335 13.386 506 HG2 LYS 65 2HG LYS 65 -4.802 8.292 11.370 507 HG3 LYS 65 3HG LYS 65 -5.810 9.360 12.349 508 HD2 LYS 65 2HD LYS 65 -3.516 10.091 13.375 509 HD3 LYS 65 3HD LYS 65 -2.862 9.435 11.872 510 HE2 LYS 65 2HE LYS 65 -3.219 11.708 11.426 511 HE3 LYS 65 3HE LYS 65 -4.592 10.885 10.686 512 HZ1 LYS 65 3HZ LYS 65 -6.004 11.560 12.413 513 HZ2 LYS 65 1HZ LYS 65 -5.098 12.938 12.034 514 HZ3 LYS 65 2HZ LYS 65 -4.722 12.031 13.412 515 H GLU 66 H GLU 66 -7.180 7.145 11.304 516 HA GLU 66 HA GLU 66 -9.104 9.046 12.343 517 HB2 GLU 66 2HB GLU 66 -8.005 9.186 10.050 518 HB3 GLU 66 3HB GLU 66 -9.050 7.855 9.574 519 HG2 GLU 66 2HG GLU 66 -11.012 9.236 10.168 520 HG3 GLU 66 3HG GLU 66 -9.921 10.578 10.513 521 H LYS 67 H LYS 67 -8.891 5.676 11.833 522 HA LYS 67 HA LYS 67 -11.680 5.158 11.466 523 HB2 LYS 67 2HB LYS 67 -9.353 3.396 12.234 524 HB3 LYS 67 3HB LYS 67 -10.993 2.787 12.049 525 HG2 LYS 67 2HG LYS 67 -9.774 4.331 9.816 526 HG3 LYS 67 3HG LYS 67 -9.276 2.659 10.079 527 HD2 LYS 67 2HD LYS 67 -12.182 3.371 9.976 528 HD3 LYS 67 3HD LYS 67 -11.262 3.166 8.483 529 HE2 LYS 67 2HE LYS 67 -10.813 0.915 8.935 530 HE3 LYS 67 3HE LYS 67 -11.212 1.085 10.643 531 HZ1 LYS 67 3HZ LYS 67 -12.914 0.445 8.451 532 HZ2 LYS 67 1HZ LYS 67 -13.503 1.779 9.309 533 HZ3 LYS 67 2HZ LYS 67 -13.211 0.320 10.112 534 H TYR 68 H TYR 68 -9.504 4.440 14.204 535 HA TYR 68 HA TYR 68 -11.750 4.991 16.020 536 HB2 TYR 68 2HB TYR 68 -9.881 2.891 16.904 537 HB3 TYR 68 3HB TYR 68 -11.633 2.978 17.054 538 HD1 TYR 68 HD2 TYR 68 -13.076 2.182 15.229 539 HD2 TYR 68 HD1 TYR 68 -8.844 1.791 15.034 540 HE1 TYR 68 HE2 TYR 68 -13.317 0.544 13.410 541 HE2 TYR 68 HE1 TYR 68 -9.073 0.153 13.213 542 HH TYR 68 HH TYR 68 -10.734 -1.395 12.329 543 H GLY 69 H GLY 69 -8.366 5.134 15.321 544 HA2 GLY 69 2HA GLY 69 -6.746 6.517 16.211 545 HA3 GLY 69 3HA GLY 69 -7.970 7.187 17.280 546 H LYS 70 H LYS 70 -8.462 4.189 18.003 547 HA LYS 70 HA LYS 70 -6.092 3.632 19.588 548 HB2 LYS 70 2HB LYS 70 -7.474 3.430 21.682 549 HB3 LYS 70 3HB LYS 70 -7.218 5.075 21.116 550 HG2 LYS 70 2HG LYS 70 -9.448 5.115 21.642 551 HG3 LYS 70 3HG LYS 70 -9.507 4.725 19.922 552 HD2 LYS 70 2HD LYS 70 -10.053 2.502 20.316 553 HD3 LYS 70 3HD LYS 70 -9.429 2.539 21.967 554 HE2 LYS 70 2HE LYS 70 -11.297 4.141 22.511 555 HE3 LYS 70 3HE LYS 70 -11.965 3.783 20.920 556 HZ1 LYS 70 3HZ LYS 70 -11.441 1.762 23.032 557 HZ2 LYS 70 1HZ LYS 70 -12.169 1.478 21.531 558 HZ3 LYS 70 2HZ LYS 70 -12.956 2.430 22.686 559 HA PRO 71 HA PRO 71 -7.243 -0.551 18.928 560 HB2 PRO 71 2HB PRO 71 -6.313 -1.743 21.183 561 HB3 PRO 71 3HB PRO 71 -5.249 -1.141 19.906 562 HG2 PRO 71 2HG PRO 71 -5.997 0.138 22.508 563 HG3 PRO 71 3HG PRO 71 -4.409 0.041 21.724 564 HD2 PRO 71 2HD PRO 71 -5.955 2.262 21.616 565 HD3 PRO 71 3HD PRO 71 -4.869 1.788 20.293 566 H ASN 72 H ASN 72 -9.002 -1.810 19.192 567 HA ASN 72 HA ASN 72 -10.844 -1.126 21.360 568 HB2 ASN 72 2HB ASN 72 -11.577 -1.121 18.931 569 HB3 ASN 72 3HB ASN 72 -11.413 -2.874 18.965 570 HD21 ASN 72 1HD2 ASN 72 -13.429 -3.600 18.887 571 HD22 ASN 72 2HD2 ASN 72 -14.699 -3.146 19.968 572 H LYS 73 H LYS 73 -9.682 -4.064 19.703 573 HA LYS 73 HA LYS 73 -10.006 -5.507 22.253 574 HB2 LYS 73 2HB LYS 73 -11.510 -6.131 20.243 575 HB3 LYS 73 3HB LYS 73 -10.055 -6.846 19.561 576 HG2 LYS 73 2HG LYS 73 -10.471 -8.692 20.701 577 HG3 LYS 73 3HG LYS 73 -10.240 -7.791 22.201 578 HD2 LYS 73 2HD LYS 73 -12.483 -7.539 22.554 579 HD3 LYS 73 3HD LYS 73 -12.865 -7.549 20.831 580 HE2 LYS 73 2HE LYS 73 -12.538 -9.938 20.731 581 HE3 LYS 73 3HE LYS 73 -11.996 -9.969 22.408 582 HZ1 LYS 73 3HZ LYS 73 -14.088 -9.891 23.169 583 HZ2 LYS 73 1HZ LYS 73 -14.511 -10.441 21.626 584 HZ3 LYS 73 2HZ LYS 73 -14.606 -8.793 21.991 585 H ARG 74 H ARG 74 -7.667 -4.040 21.399 586 HA ARG 74 HA ARG 74 -5.763 -6.260 21.034 587 HB2 ARG 74 2HB ARG 74 -5.423 -3.345 20.304 588 HB3 ARG 74 3HB ARG 74 -4.202 -4.595 20.103 589 HG2 ARG 74 2HG ARG 74 -5.071 -4.469 17.988 590 HG3 ARG 74 3HG ARG 74 -6.046 -5.767 18.679 591 HD2 ARG 74 2HD ARG 74 -7.900 -4.605 18.303 592 HD3 ARG 74 3HD ARG 74 -7.285 -3.274 19.283 593 HE ARG 74 HE ARG 74 -6.038 -2.903 16.921 594 HH11 ARG 74 1HH1 ARG 74 -9.372 -3.405 17.788 595 HH12 ARG 74 2HH1 ARG 74 -9.992 -2.477 16.462 596 HH21 ARG 74 1HH2 ARG 74 -6.842 -1.679 15.172 597 HH22 ARG 74 2HH2 ARG 74 -8.552 -1.497 14.974 598 H LYS 75 H LYS 75 -4.641 -6.753 22.787 599 HA LYS 75 HA LYS 75 -4.740 -5.450 25.217 600 HB2 LYS 75 2HB LYS 75 -2.466 -7.140 24.158 601 HB3 LYS 75 3HB LYS 75 -2.769 -6.771 25.851 602 HG2 LYS 75 2HG LYS 75 -5.033 -7.888 25.519 603 HG3 LYS 75 3HG LYS 75 -4.372 -8.504 24.002 604 HD2 LYS 75 2HD LYS 75 -3.868 -10.228 25.442 605 HD3 LYS 75 3HD LYS 75 -2.387 -9.271 25.525 606 HE2 LYS 75 2HE LYS 75 -3.070 -8.275 27.591 607 HE3 LYS 75 3HE LYS 75 -4.675 -8.993 27.466 608 HZ1 LYS 75 3HZ LYS 75 -2.551 -10.926 27.374 609 HZ2 LYS 75 1HZ LYS 75 -3.955 -10.906 28.318 610 HZ3 LYS 75 2HZ LYS 75 -2.586 -10.051 28.822 611 H GLY 76 H GLY 76 -3.311 -4.092 26.354 612 HA2 GLY 76 2HA GLY 76 -1.497 -2.620 26.587 613 HA3 GLY 76 3HA GLY 76 -1.132 -2.836 24.881 614 H PHE 77 H PHE 77 -4.413 -2.232 25.496 615 HA PHE 77 HA PHE 77 -4.447 0.156 24.022 616 HB2 PHE 77 2HB PHE 77 -6.781 0.328 24.650 617 HB3 PHE 77 3HB PHE 77 -6.399 -1.357 24.311 618 HD1 PHE 77 HD1 PHE 77 -7.254 1.073 26.905 619 HD2 PHE 77 HD2 PHE 77 -6.391 -3.010 26.066 620 HE1 PHE 77 HE1 PHE 77 -8.133 0.437 29.114 621 HE2 PHE 77 HE2 PHE 77 -7.269 -3.653 28.272 622 HZ PHE 77 HZ PHE 77 -8.142 -1.929 29.799 623 H ASN 78 H ASN 78 -4.294 2.257 24.566 624 HA ASN 78 HA ASN 78 -3.917 4.137 25.789 625 HB2 ASN 78 2HB ASN 78 -5.918 2.762 27.171 626 HB3 ASN 78 3HB ASN 78 -4.740 3.191 28.408 627 HD21 ASN 78 1HD2 ASN 78 -5.781 4.853 25.458 628 HD22 ASN 78 2HD2 ASN 78 -6.283 6.305 26.248 629 H GLU 79 H GLU 79 -2.039 1.758 25.752 630 HA GLU 79 HA GLU 79 -0.478 2.392 28.164 631 HB2 GLU 79 2HB GLU 79 -0.145 0.027 26.313 632 HB3 GLU 79 3HB GLU 79 0.656 0.279 27.858 633 HG2 GLU 79 2HG GLU 79 -2.290 -0.166 27.433 634 HG3 GLU 79 3HG GLU 79 -1.134 -1.336 28.068 635 H GLY 80 H GLY 80 -0.399 4.295 26.208 636 HA2 GLY 80 2HA GLY 80 1.715 5.438 25.678 637 HA3 GLY 80 3HA GLY 80 2.296 3.899 25.061 638 H LEU 81 H LEU 81 -0.975 4.776 24.407 639 HA LEU 81 HA LEU 81 -0.500 4.735 21.586 640 HB2 LEU 81 2HB LEU 81 -2.547 3.828 22.436 641 HB3 LEU 81 3HB LEU 81 -2.949 5.352 23.226 642 HG LEU 81 HG LEU 81 -2.789 6.143 20.635 643 HD11 LEU 81 1HD1 LEU 81 -4.232 4.352 19.470 644 HD12 LEU 81 2HD1 LEU 81 -3.567 3.252 20.676 645 HD13 LEU 81 3HD1 LEU 81 -2.489 4.103 19.570 646 HD21 LEU 81 3HD2 LEU 81 -5.301 4.959 21.781 647 HD22 LEU 81 1HD2 LEU 81 -5.125 6.360 20.725 648 HD23 LEU 81 2HD2 LEU 81 -4.595 6.450 22.405 649 H TRP 82 H TRP 82 -1.005 7.217 24.004 650 HA TRP 82 HA TRP 82 -1.450 9.357 22.182 651 HB2 TRP 82 2HB TRP 82 -2.212 9.738 24.376 652 HB3 TRP 82 3HB TRP 82 -0.689 9.214 25.090 653 HD1 TRP 82 HD1 TRP 82 -2.373 12.249 23.519 654 HE1 TRP 82 HE1 TRP 82 -0.906 14.323 23.934 655 HE3 TRP 82 HE3 TRP 82 1.763 9.944 25.447 656 HZ2 TRP 82 HZ2 TRP 82 1.665 14.904 24.944 657 HZ3 TRP 82 HZ3 TRP 82 3.683 11.331 26.112 658 HH2 TRP 82 HH2 TRP 82 3.634 13.759 25.865 659 H GLU 83 H GLU 83 1.324 7.615 23.075 660 HA GLU 83 HA GLU 83 3.256 9.692 22.745 661 HB2 GLU 83 2HB GLU 83 3.351 6.712 22.968 662 HB3 GLU 83 3HB GLU 83 4.772 7.567 22.383 663 HG2 GLU 83 2HG GLU 83 5.082 8.686 24.397 664 HG3 GLU 83 3HG GLU 83 3.430 8.379 24.930 665 H ILE 84 H ILE 84 1.718 7.366 20.626 666 HA ILE 84 HA ILE 84 3.458 7.597 18.425 667 HB ILE 84 HB ILE 84 1.603 5.873 18.791 668 HG12 ILE 84 2HG1 ILE 84 1.864 7.205 16.086 669 HG13 ILE 84 3HG1 ILE 84 2.966 6.002 16.749 670 HG21 ILE 84 1HG2 ILE 84 -0.032 8.044 18.826 671 HG22 ILE 84 2HG2 ILE 84 -0.230 7.483 17.167 672 HG23 ILE 84 3HG2 ILE 84 -0.563 6.392 18.511 673 HD11 ILE 84 3HD1 ILE 84 0.760 5.538 15.147 674 HD12 ILE 84 1HD1 ILE 84 1.685 4.338 16.048 675 HD13 ILE 84 2HD1 ILE 84 0.240 5.057 16.762 676 H ASP 85 H ASP 85 1.244 9.801 19.758 677 HA ASP 85 HA ASP 85 1.253 11.394 17.279 678 HB2 ASP 85 2HB ASP 85 -0.972 10.571 18.454 679 HB3 ASP 85 3HB ASP 85 -0.674 11.966 19.487 680 H ASN 86 H ASN 86 2.928 11.126 19.983 681 HA ASN 86 HA ASN 86 3.510 13.986 20.084 682 HB2 ASN 86 2HB ASN 86 2.684 12.300 22.438 683 HB3 ASN 86 3HB ASN 86 3.678 13.740 22.645 684 HD21 ASN 86 1HD2 ASN 86 0.644 12.623 21.218 685 HD22 ASN 86 2HD2 ASN 86 -0.227 14.090 21.490 686 H ASN 87 H ASN 87 4.446 11.093 21.947 687 HA ASN 87 HA ASN 87 7.246 11.665 21.236 688 HB2 ASN 87 2HB ASN 87 6.629 11.816 23.669 689 HB3 ASN 87 3HB ASN 87 6.261 10.095 23.624 690 HD21 ASN 87 1HD2 ASN 87 8.051 10.781 25.405 691 HD22 ASN 87 2HD2 ASN 87 9.655 10.371 24.911 692 HA PRO 88 HA PRO 88 6.137 7.674 19.150 693 HB2 PRO 88 2HB PRO 88 7.417 8.267 16.830 694 HB3 PRO 88 3HB PRO 88 5.748 8.750 17.157 695 HG2 PRO 88 2HG PRO 88 8.264 10.357 17.383 696 HG3 PRO 88 3HG PRO 88 6.692 10.829 16.712 697 HD2 PRO 88 2HD PRO 88 7.489 11.543 19.200 698 HD3 PRO 88 3HD PRO 88 5.787 11.241 18.792 699 H LYS 89 H LYS 89 8.938 9.297 20.148 700 HA LYS 89 HA LYS 89 10.592 6.920 19.598 701 HB2 LYS 89 2HB LYS 89 11.365 9.827 19.829 702 HB3 LYS 89 3HB LYS 89 12.543 8.522 19.884 703 HG2 LYS 89 2HG LYS 89 11.756 7.792 17.646 704 HG3 LYS 89 3HG LYS 89 10.715 9.217 17.596 705 HD2 LYS 89 2HD LYS 89 12.684 10.658 17.811 706 HD3 LYS 89 3HD LYS 89 13.723 9.231 17.859 707 HE2 LYS 89 2HE LYS 89 12.654 8.634 15.600 708 HE3 LYS 89 3HE LYS 89 12.105 10.309 15.572 709 HZ1 LYS 89 3HZ LYS 89 14.420 11.013 15.799 710 HZ2 LYS 89 1HZ LYS 89 14.190 10.082 14.405 711 HZ3 LYS 89 2HZ LYS 89 14.926 9.399 15.766 712 H VAL 90 H VAL 90 8.819 7.187 21.833 713 HA VAL 90 HA VAL 90 10.093 8.040 24.182 714 HB VAL 90 HB VAL 90 7.673 7.522 24.021 715 HG11 VAL 90 1HG1 VAL 90 8.181 5.327 22.751 716 HG12 VAL 90 2HG1 VAL 90 8.345 4.625 24.362 717 HG13 VAL 90 3HG1 VAL 90 6.822 5.369 23.874 718 HG21 VAL 90 3HG2 VAL 90 9.423 7.068 26.166 719 HG22 VAL 90 1HG2 VAL 90 7.696 7.420 26.240 720 HG23 VAL 90 2HG2 VAL 90 8.255 5.748 26.202 721 H LYS 91 H LYS 91 10.618 5.287 22.209 722 HA LYS 91 HA LYS 91 11.521 3.361 23.965 723 HB2 LYS 91 2HB LYS 91 12.910 2.525 22.123 724 HB3 LYS 91 3HB LYS 91 11.304 2.974 21.562 725 HG2 LYS 91 2HG LYS 91 12.330 4.121 19.963 726 HG3 LYS 91 3HG LYS 91 12.770 5.283 21.216 727 HD2 LYS 91 2HD LYS 91 14.903 4.341 21.493 728 HD3 LYS 91 3HD LYS 91 14.450 2.857 20.651 729 HE2 LYS 91 2HE LYS 91 15.713 3.965 19.061 730 HE3 LYS 91 3HE LYS 91 14.069 4.424 18.621 731 HZ1 LYS 91 3HZ LYS 91 16.160 6.045 19.911 732 HZ2 LYS 91 1HZ LYS 91 14.530 6.432 20.148 733 HZ3 LYS 91 2HZ LYS 91 15.179 6.425 18.586 734 H PHE 92 H PHE 92 13.064 6.326 22.971 735 HA PHE 92 HA PHE 92 15.704 5.856 23.626 736 HB2 PHE 92 2HB PHE 92 14.607 7.972 22.647 737 HB3 PHE 92 3HB PHE 92 14.338 8.447 24.321 738 HD1 PHE 92 HD1 PHE 92 17.130 7.104 22.234 739 HD2 PHE 92 HD2 PHE 92 15.887 9.862 25.228 740 HE1 PHE 92 HE1 PHE 92 19.412 8.016 22.336 741 HE2 PHE 92 HE2 PHE 92 18.168 10.780 25.334 742 HZ PHE 92 HZ PHE 92 19.934 9.857 23.886 743 H SER 93 H SER 93 16.271 4.764 25.415 744 HA SER 93 HA SER 93 14.973 4.827 27.887 745 HB2 SER 93 2HB SER 93 16.886 3.263 26.884 746 HB3 SER 93 3HB SER 93 17.914 4.337 27.834 747 HG SER 93 HG SER 93 15.728 2.790 28.777 Start of MODEL 7 1 H MET 1 H MET 1 2.624 1.318 1.547 2 HA MET 1 HA MET 1 1.723 0.305 -1.065 3 HB2 MET 1 2HB MET 1 3.484 2.707 -0.551 4 HB3 MET 1 3HB MET 1 3.217 1.991 -2.135 5 HG2 MET 1 2HG MET 1 0.922 2.933 -0.465 6 HG3 MET 1 3HG MET 1 1.849 4.054 -1.459 7 HE1 MET 1 3HE MET 1 0.743 4.916 -2.948 8 HE2 MET 1 1HE MET 1 0.814 4.146 -4.533 9 HE3 MET 1 2HE MET 1 -0.733 4.316 -3.704 10 H THR 2 H THR 2 3.862 0.072 -2.503 11 HA THR 2 HA THR 2 5.409 -1.949 -1.174 12 HB THR 2 HB THR 2 5.898 -0.818 -3.932 13 HG1 THR 2 HG1 THR 2 3.861 -1.537 -4.121 14 HG21 THR 2 3HG2 THR 2 6.423 -3.509 -3.972 15 HG22 THR 2 1HG2 THR 2 6.974 -3.042 -2.364 16 HG23 THR 2 2HG2 THR 2 7.632 -2.239 -3.789 17 H ARG 3 H ARG 3 5.858 1.391 -2.065 18 HA ARG 3 HA ARG 3 8.634 1.582 -2.008 19 HB2 ARG 3 2HB ARG 3 6.535 3.590 -1.176 20 HB3 ARG 3 3HB ARG 3 8.242 3.972 -1.353 21 HG2 ARG 3 2HG ARG 3 7.847 2.926 -3.754 22 HG3 ARG 3 3HG ARG 3 6.190 3.435 -3.421 23 HD2 ARG 3 2HD ARG 3 7.105 5.704 -2.861 24 HD3 ARG 3 3HD ARG 3 8.667 5.148 -3.458 25 HE ARG 3 HE ARG 3 6.367 5.879 -5.026 26 HH11 ARG 3 1HH1 ARG 3 9.342 4.071 -4.954 27 HH12 ARG 3 2HH1 ARG 3 9.536 4.072 -6.676 28 HH21 ARG 3 1HH2 ARG 3 6.612 5.887 -7.294 29 HH22 ARG 3 2HH2 ARG 3 7.984 5.105 -8.006 30 H ASP 4 H ASP 4 10.132 1.567 -0.444 31 HA ASP 4 HA ASP 4 9.567 0.589 2.115 32 HB2 ASP 4 2HB ASP 4 11.773 0.389 1.028 33 HB3 ASP 4 3HB ASP 4 12.010 2.126 1.205 34 H PHE 5 H PHE 5 9.863 1.618 4.190 35 HA PHE 5 HA PHE 5 8.813 4.351 4.179 36 HB2 PHE 5 2HB PHE 5 8.675 2.055 6.063 37 HB3 PHE 5 3HB PHE 5 8.667 3.669 6.766 38 HD1 PHE 5 HD2 PHE 5 6.858 5.252 6.206 39 HD2 PHE 5 HD1 PHE 5 6.793 1.202 4.899 40 HE1 PHE 5 HE2 PHE 5 4.453 5.448 5.730 41 HE2 PHE 5 HE1 PHE 5 4.387 1.392 4.420 42 HZ PHE 5 HZ PHE 5 3.213 3.517 4.837 43 H LYS 6 H LYS 6 9.544 5.531 6.359 44 HA LYS 6 HA LYS 6 12.481 5.602 6.243 45 HB2 LYS 6 2HB LYS 6 10.381 7.674 6.651 46 HB3 LYS 6 3HB LYS 6 11.921 7.902 7.468 47 HG2 LYS 6 2HG LYS 6 13.095 8.091 5.475 48 HG3 LYS 6 3HG LYS 6 11.821 7.308 4.538 49 HD2 LYS 6 2HD LYS 6 11.643 9.574 3.977 50 HD3 LYS 6 3HD LYS 6 10.373 9.324 5.177 51 HE2 LYS 6 2HE LYS 6 11.375 11.292 5.886 52 HE3 LYS 6 3HE LYS 6 12.163 10.071 6.884 53 HZ1 LYS 6 3HZ LYS 6 13.892 11.397 6.111 54 HZ2 LYS 6 1HZ LYS 6 13.251 11.518 4.550 55 HZ3 LYS 6 2HZ LYS 6 13.935 10.062 5.073 56 HA PRO 7 HA PRO 7 12.946 4.413 10.440 57 HB2 PRO 7 2HB PRO 7 14.946 6.039 11.293 58 HB3 PRO 7 3HB PRO 7 15.210 4.697 10.173 59 HG2 PRO 7 2HG PRO 7 14.908 7.618 9.592 60 HG3 PRO 7 3HG PRO 7 16.058 6.455 8.908 61 HD2 PRO 7 2HD PRO 7 13.820 7.234 7.598 62 HD3 PRO 7 3HD PRO 7 14.511 5.608 7.424 63 H GLY 8 H GLY 8 11.452 4.825 11.946 64 HA2 GLY 8 2HA GLY 8 10.616 5.982 13.805 65 HA3 GLY 8 3HA GLY 8 11.434 7.433 13.244 66 H ASP 9 H ASP 9 9.346 5.470 11.224 67 HA ASP 9 HA ASP 9 7.569 7.778 10.927 68 HB2 ASP 9 2HB ASP 9 8.384 5.523 9.203 69 HB3 ASP 9 3HB ASP 9 6.692 5.996 9.072 70 H LEU 10 H LEU 10 5.383 7.690 11.302 71 HA LEU 10 HA LEU 10 4.505 5.609 13.112 72 HB2 LEU 10 2HB LEU 10 3.047 8.037 12.080 73 HB3 LEU 10 3HB LEU 10 2.505 6.983 13.384 74 HG LEU 10 HG LEU 10 3.353 8.831 14.501 75 HD11 LEU 10 1HD1 LEU 10 4.332 6.637 15.235 76 HD12 LEU 10 2HD1 LEU 10 5.259 8.067 15.688 77 HD13 LEU 10 3HD1 LEU 10 5.785 7.068 14.334 78 HD21 LEU 10 3HD2 LEU 10 4.854 10.285 13.691 79 HD22 LEU 10 1HD2 LEU 10 4.641 9.414 12.172 80 HD23 LEU 10 2HD2 LEU 10 5.989 9.013 13.237 81 H ILE 11 H ILE 11 3.653 3.788 12.375 82 HA ILE 11 HA ILE 11 1.616 3.878 10.306 83 HB ILE 11 HB ILE 11 2.652 2.032 9.016 84 HG12 ILE 11 2HG1 ILE 11 5.284 2.030 9.405 85 HG13 ILE 11 3HG1 ILE 11 4.800 2.451 11.043 86 HG21 ILE 11 1HG2 ILE 11 4.576 4.325 9.036 87 HG22 ILE 11 2HG2 ILE 11 3.928 3.423 7.666 88 HG23 ILE 11 3HG2 ILE 11 2.900 4.559 8.540 89 HD11 ILE 11 3HD1 ILE 11 4.608 0.272 11.397 90 HD12 ILE 11 1HD1 ILE 11 3.153 0.336 10.404 91 HD13 ILE 11 2HD1 ILE 11 4.700 -0.094 9.675 92 H PHE 12 H PHE 12 0.249 2.065 10.289 93 HA PHE 12 HA PHE 12 0.177 0.641 12.809 94 HB2 PHE 12 2HB PHE 12 -1.712 1.138 10.576 95 HB3 PHE 12 3HB PHE 12 -1.934 -0.359 11.475 96 HD1 PHE 12 HD2 PHE 12 -1.095 3.169 12.369 97 HD2 PHE 12 HD1 PHE 12 -3.591 -0.212 13.042 98 HE1 PHE 12 HE2 PHE 12 -2.294 4.409 14.124 99 HE2 PHE 12 HE1 PHE 12 -4.795 1.023 14.798 100 HZ PHE 12 HZ PHE 12 -4.146 3.335 15.341 101 H ALA 13 H ALA 13 1.232 -1.202 13.075 102 HA ALA 13 HA ALA 13 2.129 -2.768 10.830 103 HB1 ALA 13 1HB ALA 13 2.594 -4.207 13.189 104 HB2 ALA 13 2HB ALA 13 3.743 -3.220 12.285 105 HB3 ALA 13 3HB ALA 13 2.814 -2.507 13.605 106 H LYS 14 H LYS 14 1.280 -4.607 10.049 107 HA LYS 14 HA LYS 14 -1.066 -5.722 11.443 108 HB2 LYS 14 2HB LYS 14 -1.796 -4.732 9.394 109 HB3 LYS 14 3HB LYS 14 -0.479 -5.473 8.493 110 HG2 LYS 14 2HG LYS 14 -2.635 -6.567 8.084 111 HG3 LYS 14 3HG LYS 14 -1.450 -7.663 8.797 112 HD2 LYS 14 2HD LYS 14 -2.551 -7.759 10.813 113 HD3 LYS 14 3HD LYS 14 -3.304 -6.176 10.598 114 HE2 LYS 14 2HE LYS 14 -4.968 -7.935 10.425 115 HE3 LYS 14 3HE LYS 14 -4.771 -7.122 8.873 116 HZ1 LYS 14 3HZ LYS 14 -3.833 -8.948 7.930 117 HZ2 LYS 14 1HZ LYS 14 -4.813 -9.729 9.067 118 HZ3 LYS 14 2HZ LYS 14 -3.164 -9.514 9.377 119 H MET 15 H MET 15 -0.391 -7.499 12.476 120 HA MET 15 HA MET 15 1.624 -9.225 11.286 121 HB2 MET 15 2HB MET 15 0.444 -8.860 13.971 122 HB3 MET 15 3HB MET 15 0.896 -10.509 13.559 123 HG2 MET 15 2HG MET 15 3.122 -9.260 12.787 124 HG3 MET 15 3HG MET 15 2.587 -8.136 14.034 125 HE1 MET 15 3HE MET 15 2.259 -10.453 17.130 126 HE2 MET 15 1HE MET 15 1.413 -9.241 16.168 127 HE3 MET 15 2HE MET 15 1.119 -10.956 15.881 128 H LYS 16 H LYS 16 1.272 -11.216 10.449 129 HA LYS 16 HA LYS 16 -1.170 -11.906 9.355 130 HB2 LYS 16 2HB LYS 16 1.296 -13.492 9.991 131 HB3 LYS 16 3HB LYS 16 -0.124 -14.293 9.330 132 HG2 LYS 16 2HG LYS 16 0.859 -11.870 7.933 133 HG3 LYS 16 3HG LYS 16 1.814 -13.348 7.795 134 HD2 LYS 16 2HD LYS 16 0.388 -13.585 6.008 135 HD3 LYS 16 3HD LYS 16 -0.514 -14.434 7.266 136 HE2 LYS 16 2HE LYS 16 -2.039 -12.706 7.514 137 HE3 LYS 16 3HE LYS 16 -0.948 -11.509 6.818 138 HZ1 LYS 16 3HZ LYS 16 -1.269 -13.122 4.741 139 HZ2 LYS 16 1HZ LYS 16 -2.279 -11.798 5.042 140 HZ3 LYS 16 2HZ LYS 16 -2.765 -13.354 5.496 141 H GLY 17 H GLY 17 -3.009 -12.275 10.412 142 HA2 GLY 17 2HA GLY 17 -4.442 -13.663 11.659 143 HA3 GLY 17 3HA GLY 17 -3.040 -14.334 12.480 144 H TYR 18 H TYR 18 -3.259 -10.905 12.212 145 HA TYR 18 HA TYR 18 -4.509 -10.613 14.825 146 HB2 TYR 18 2HB TYR 18 -1.752 -9.487 14.312 147 HB3 TYR 18 3HB TYR 18 -2.669 -9.416 15.813 148 HD1 TYR 18 HD1 TYR 18 -0.778 -11.635 13.554 149 HD2 TYR 18 HD2 TYR 18 -2.687 -11.256 17.338 150 HE1 TYR 18 HE1 TYR 18 0.284 -13.727 14.293 151 HE2 TYR 18 HE2 TYR 18 -1.629 -13.346 18.087 152 HH TYR 18 HH TYR 18 0.062 -15.434 15.907 153 HA PRO 19 HA PRO 19 -6.084 -6.904 13.083 154 HB2 PRO 19 2HB PRO 19 -6.411 -5.387 15.311 155 HB3 PRO 19 3HB PRO 19 -7.449 -6.765 14.926 156 HG2 PRO 19 2HG PRO 19 -5.121 -6.612 16.802 157 HG3 PRO 19 3HG PRO 19 -6.691 -7.403 17.030 158 HD2 PRO 19 2HD PRO 19 -4.457 -8.772 16.348 159 HD3 PRO 19 3HD PRO 19 -6.077 -9.258 15.808 160 H HIS 20 H HIS 20 -5.752 -4.464 13.125 161 HA HIS 20 HA HIS 20 -2.968 -3.928 12.698 162 HB2 HIS 20 2HB HIS 20 -5.189 -1.888 12.709 163 HB3 HIS 20 3HB HIS 20 -3.659 -1.821 11.839 164 HD1 HIS 20 HD1 HIS 20 -3.443 -3.869 9.966 165 HD2 HIS 20 HD2 HIS 20 -7.245 -2.691 11.156 166 HE1 HIS 20 HE1 HIS 20 -4.996 -4.691 8.166 167 H TRP 21 H TRP 21 -1.658 -2.445 13.787 168 HA TRP 21 HA TRP 21 -2.640 -1.259 16.256 169 HB2 TRP 21 2HB TRP 21 -1.905 -3.458 16.997 170 HB3 TRP 21 3HB TRP 21 -0.351 -3.237 16.198 171 HD1 TRP 21 HD1 TRP 21 1.354 -1.445 17.329 172 HE1 TRP 21 HE1 TRP 21 1.567 -0.646 19.766 173 HE3 TRP 21 HE3 TRP 21 -3.206 -2.954 19.081 174 HZ2 TRP 21 HZ2 TRP 21 0.009 -0.654 22.120 175 HZ3 TRP 21 HZ3 TRP 21 -3.766 -2.522 21.437 176 HH2 TRP 21 HH2 TRP 21 -2.190 -1.396 22.924 177 HA PRO 22 HA PRO 22 0.042 1.964 14.885 178 HB2 PRO 22 2HB PRO 22 0.115 3.412 17.180 179 HB3 PRO 22 3HB PRO 22 -1.292 3.378 16.110 180 HG2 PRO 22 2HG PRO 22 -0.802 1.859 18.643 181 HG3 PRO 22 3HG PRO 22 -2.277 2.677 18.097 182 HD2 PRO 22 2HD PRO 22 -1.935 -0.001 17.890 183 HD3 PRO 22 3HD PRO 22 -2.883 0.933 16.716 184 H ALA 23 H ALA 23 2.159 1.692 14.596 185 HA ALA 23 HA ALA 23 3.893 1.423 16.934 186 HB1 ALA 23 1HB ALA 23 5.215 -0.347 15.739 187 HB2 ALA 23 2HB ALA 23 3.628 -0.855 16.316 188 HB3 ALA 23 3HB ALA 23 3.869 -0.487 14.608 189 H ARG 24 H ARG 24 6.313 1.250 15.873 190 HA ARG 24 HA ARG 24 6.482 3.441 13.911 191 HB2 ARG 24 2HB ARG 24 8.255 4.454 15.086 192 HB3 ARG 24 3HB ARG 24 7.066 4.055 16.319 193 HG2 ARG 24 2HG ARG 24 8.845 3.224 17.401 194 HG3 ARG 24 3HG ARG 24 8.578 1.822 16.363 195 HD2 ARG 24 2HD ARG 24 10.481 2.164 15.241 196 HD3 ARG 24 3HD ARG 24 10.171 3.892 15.081 197 HE ARG 24 HE ARG 24 11.778 2.591 17.088 198 HH11 ARG 24 1HH1 ARG 24 9.973 5.445 16.241 199 HH12 ARG 24 2HH1 ARG 24 10.835 6.474 17.336 200 HH21 ARG 24 1HH2 ARG 24 12.920 3.935 18.534 201 HH22 ARG 24 2HH2 ARG 24 12.512 5.614 18.639 202 H VAL 25 H VAL 25 8.609 3.519 12.776 203 HA VAL 25 HA VAL 25 9.476 0.783 12.145 204 HB VAL 25 HB VAL 25 9.793 3.314 10.525 205 HG11 VAL 25 1HG1 VAL 25 10.885 0.592 10.254 206 HG12 VAL 25 2HG1 VAL 25 10.198 1.292 8.786 207 HG13 VAL 25 3HG1 VAL 25 11.496 2.129 9.640 208 HG21 VAL 25 3HG2 VAL 25 7.682 2.953 9.913 209 HG22 VAL 25 1HG2 VAL 25 8.236 1.470 9.135 210 HG23 VAL 25 2HG2 VAL 25 7.624 1.424 10.789 211 H ASP 26 H ASP 26 11.579 0.168 12.277 212 HA ASP 26 HA ASP 26 13.413 2.071 13.557 213 HB2 ASP 26 2HB ASP 26 12.742 -0.455 14.328 214 HB3 ASP 26 3HB ASP 26 14.206 -0.764 13.399 215 H GLU 27 H GLU 27 15.737 1.858 12.975 216 HA GLU 27 HA GLU 27 16.071 2.169 10.175 217 HB2 GLU 27 2HB GLU 27 18.365 2.624 10.649 218 HB3 GLU 27 3HB GLU 27 17.417 3.330 11.950 219 HG2 GLU 27 2HG GLU 27 17.894 1.177 13.232 220 HG3 GLU 27 3HG GLU 27 19.119 0.865 12.003 221 H VAL 28 H VAL 28 18.177 1.005 9.223 222 HA VAL 28 HA VAL 28 17.484 -1.826 9.190 223 HB VAL 28 HB VAL 28 19.088 -1.928 7.265 224 HG11 VAL 28 1HG1 VAL 28 16.646 -0.217 7.295 225 HG12 VAL 28 2HG1 VAL 28 17.589 -0.347 5.809 226 HG13 VAL 28 3HG1 VAL 28 16.906 -1.794 6.552 227 HG21 VAL 28 3HG2 VAL 28 20.454 -0.239 6.789 228 HG22 VAL 28 1HG2 VAL 28 19.105 0.895 6.718 229 HG23 VAL 28 2HG2 VAL 28 19.897 0.563 8.258 230 HA PRO 29 HA PRO 29 20.914 -3.233 11.541 231 HB2 PRO 29 2HB PRO 29 21.465 -5.589 10.309 232 HB3 PRO 29 3HB PRO 29 20.040 -5.347 11.327 233 HG2 PRO 29 2HG PRO 29 20.269 -5.281 8.343 234 HG3 PRO 29 3HG PRO 29 19.017 -6.028 9.352 235 HD2 PRO 29 2HD PRO 29 18.671 -3.634 8.134 236 HD3 PRO 29 3HD PRO 29 17.925 -4.027 9.696 237 H ASP 30 H ASP 30 23.186 -4.203 11.244 238 HA ASP 30 HA ASP 30 24.732 -2.411 9.715 239 HB2 ASP 30 2HB ASP 30 25.490 -5.028 11.028 240 HB3 ASP 30 3HB ASP 30 26.646 -3.888 10.344 241 H GLY 31 H GLY 31 23.278 -5.444 8.957 242 HA2 GLY 31 2HA GLY 31 23.037 -5.773 6.492 243 HA3 GLY 31 3HA GLY 31 24.772 -5.503 6.407 244 H ALA 32 H ALA 32 25.500 -7.021 8.697 245 HA ALA 32 HA ALA 32 25.043 -9.720 7.628 246 HB1 ALA 32 1HB ALA 32 27.146 -10.338 8.380 247 HB2 ALA 32 2HB ALA 32 27.393 -8.669 7.863 248 HB3 ALA 32 3HB ALA 32 27.210 -9.043 9.576 249 H VAL 33 H VAL 33 23.342 -8.125 9.569 250 HA VAL 33 HA VAL 33 23.564 -9.643 12.032 251 HB VAL 33 HB VAL 33 21.338 -7.744 11.326 252 HG11 VAL 33 1HG1 VAL 33 22.133 -7.555 14.017 253 HG12 VAL 33 2HG1 VAL 33 20.648 -8.259 13.373 254 HG13 VAL 33 3HG1 VAL 33 22.067 -9.275 13.634 255 HG21 VAL 33 3HG2 VAL 33 22.736 -6.004 12.493 256 HG22 VAL 33 1HG2 VAL 33 24.102 -7.107 12.336 257 HG23 VAL 33 2HG2 VAL 33 23.304 -6.481 10.893 258 H LYS 34 H LYS 34 22.426 -10.404 9.107 259 HA LYS 34 HA LYS 34 21.013 -11.997 8.307 260 HB2 LYS 34 2HB LYS 34 21.985 -13.161 10.425 261 HB3 LYS 34 3HB LYS 34 20.393 -12.866 11.112 262 HG2 LYS 34 2HG LYS 34 19.573 -13.999 8.893 263 HG3 LYS 34 3HG LYS 34 21.199 -14.684 8.901 264 HD2 LYS 34 2HD LYS 34 19.312 -14.833 11.246 265 HD3 LYS 34 3HD LYS 34 19.444 -16.092 10.016 266 HE2 LYS 34 2HE LYS 34 22.012 -15.905 10.612 267 HE3 LYS 34 3HE LYS 34 21.373 -15.284 12.133 268 HZ1 LYS 34 3HZ LYS 34 20.384 -17.817 10.981 269 HZ2 LYS 34 1HZ LYS 34 20.295 -17.277 12.582 270 HZ3 LYS 34 2HZ LYS 34 21.778 -17.778 11.940 271 HA PRO 35 HA PRO 35 17.447 -9.237 9.511 272 HB2 PRO 35 2HB PRO 35 17.009 -8.285 7.007 273 HB3 PRO 35 3HB PRO 35 18.148 -7.537 8.133 274 HG2 PRO 35 2HG PRO 35 18.684 -9.419 5.868 275 HG3 PRO 35 3HG PRO 35 19.568 -7.955 6.340 276 HD2 PRO 35 2HD PRO 35 20.428 -10.444 6.971 277 HD3 PRO 35 3HD PRO 35 20.718 -9.039 8.017 278 HA PRO 36 HA PRO 36 14.293 -11.976 8.139 279 HB2 PRO 36 2HB PRO 36 12.203 -10.306 7.680 280 HB3 PRO 36 3HB PRO 36 12.787 -10.690 9.304 281 HG2 PRO 36 2HG PRO 36 13.337 -8.282 7.612 282 HG3 PRO 36 3HG PRO 36 12.969 -8.372 9.345 283 HD2 PRO 36 2HD PRO 36 15.490 -8.065 8.405 284 HD3 PRO 36 3HD PRO 36 15.130 -8.949 9.902 285 H THR 37 H THR 37 12.624 -12.330 6.360 286 HA THR 37 HA THR 37 13.926 -11.847 3.813 287 HB THR 37 HB THR 37 11.473 -13.483 4.486 288 HG1 THR 37 HG1 THR 37 13.715 -14.134 5.197 289 HG21 THR 37 3HG2 THR 37 11.075 -13.618 2.300 290 HG22 THR 37 1HG2 THR 37 12.688 -14.286 2.053 291 HG23 THR 37 2HG2 THR 37 12.433 -12.543 1.971 292 H ASN 38 H ASN 38 13.560 -9.774 3.164 293 HA ASN 38 HA ASN 38 12.461 -7.957 2.349 294 HB2 ASN 38 2HB ASN 38 10.584 -10.207 1.703 295 HB3 ASN 38 3HB ASN 38 10.111 -8.546 1.359 296 HD21 ASN 38 1HD2 ASN 38 12.113 -11.190 0.469 297 HD22 ASN 38 2HD2 ASN 38 12.792 -10.482 -0.954 298 H LYS 39 H LYS 39 12.409 -7.986 5.024 299 HA LYS 39 HA LYS 39 9.810 -6.787 5.612 300 HB2 LYS 39 2HB LYS 39 11.089 -8.655 7.597 301 HB3 LYS 39 3HB LYS 39 9.462 -7.989 7.620 302 HG2 LYS 39 2HG LYS 39 9.232 -9.324 5.369 303 HG3 LYS 39 3HG LYS 39 10.562 -10.263 6.052 304 HD2 LYS 39 2HD LYS 39 9.275 -10.832 7.975 305 HD3 LYS 39 3HD LYS 39 8.008 -9.682 7.542 306 HE2 LYS 39 2HE LYS 39 7.422 -11.000 5.604 307 HE3 LYS 39 3HE LYS 39 8.766 -12.100 5.906 308 HZ1 LYS 39 3HZ LYS 39 6.190 -12.341 6.843 309 HZ2 LYS 39 1HZ LYS 39 7.099 -11.879 8.194 310 HZ3 LYS 39 2HZ LYS 39 7.531 -13.259 7.316 311 H LEU 40 H LEU 40 9.847 -5.350 7.451 312 HA LEU 40 HA LEU 40 12.561 -4.399 8.098 313 HB2 LEU 40 2HB LEU 40 11.215 -2.177 8.483 314 HB3 LEU 40 3HB LEU 40 11.783 -2.640 6.880 315 HG LEU 40 HG LEU 40 9.030 -3.437 7.685 316 HD11 LEU 40 1HD1 LEU 40 8.447 -1.338 8.156 317 HD12 LEU 40 2HD1 LEU 40 8.666 -1.014 6.437 318 HD13 LEU 40 3HD1 LEU 40 9.978 -0.689 7.570 319 HD21 LEU 40 3HD2 LEU 40 9.698 -4.221 5.576 320 HD22 LEU 40 1HD2 LEU 40 10.453 -2.685 5.149 321 HD23 LEU 40 2HD2 LEU 40 8.695 -2.809 5.239 322 HA PRO 41 HA PRO 41 11.680 -4.769 12.380 323 HB2 PRO 41 2HB PRO 41 12.907 -2.578 13.412 324 HB3 PRO 41 3HB PRO 41 13.796 -3.971 12.784 325 HG2 PRO 41 2HG PRO 41 13.202 -1.351 11.463 326 HG3 PRO 41 3HG PRO 41 14.711 -2.282 11.474 327 HD2 PRO 41 2HD PRO 41 12.997 -2.309 9.378 328 HD3 PRO 41 3HD PRO 41 13.986 -3.716 9.822 329 H ILE 42 H ILE 42 9.780 -4.474 13.345 330 HA ILE 42 HA ILE 42 8.591 -1.777 13.323 331 HB ILE 42 HB ILE 42 7.023 -4.353 13.369 332 HG12 ILE 42 2HG1 ILE 42 8.208 -4.155 11.232 333 HG13 ILE 42 3HG1 ILE 42 6.480 -3.897 11.014 334 HG21 ILE 42 1HG2 ILE 42 6.354 -1.639 13.874 335 HG22 ILE 42 2HG2 ILE 42 5.565 -2.135 12.378 336 HG23 ILE 42 3HG2 ILE 42 5.297 -3.051 13.861 337 HD11 ILE 42 3HD1 ILE 42 6.941 -2.001 9.984 338 HD12 ILE 42 1HD1 ILE 42 7.610 -1.371 11.488 339 HD13 ILE 42 2HD1 ILE 42 8.659 -2.192 10.332 340 H PHE 43 H PHE 43 8.883 -0.984 15.307 341 HA PHE 43 HA PHE 43 8.856 -2.702 17.635 342 HB2 PHE 43 2HB PHE 43 10.438 -0.759 17.351 343 HB3 PHE 43 3HB PHE 43 9.055 0.311 17.557 344 HD1 PHE 43 HD2 PHE 43 10.422 -2.705 19.287 345 HD2 PHE 43 HD1 PHE 43 8.896 1.253 19.632 346 HE1 PHE 43 HE2 PHE 43 10.712 -2.810 21.728 347 HE2 PHE 43 HE1 PHE 43 9.185 1.155 22.073 348 HZ PHE 43 HZ PHE 43 10.092 -0.878 23.125 349 H PHE 44 H PHE 44 6.920 -3.384 18.303 350 HA PHE 44 HA PHE 44 4.507 -1.932 17.920 351 HB2 PHE 44 2HB PHE 44 5.270 -4.425 19.393 352 HB3 PHE 44 3HB PHE 44 3.691 -3.702 19.685 353 HD1 PHE 44 HD1 PHE 44 2.775 -2.809 17.141 354 HD2 PHE 44 HD2 PHE 44 5.033 -6.291 18.084 355 HE1 PHE 44 HE1 PHE 44 1.894 -3.920 15.130 356 HE2 PHE 44 HE2 PHE 44 4.157 -7.407 16.074 357 HZ PHE 44 HZ PHE 44 2.586 -6.222 14.594 358 H PHE 45 H PHE 45 3.936 -0.169 18.989 359 HA PHE 45 HA PHE 45 5.161 0.604 21.450 360 HB2 PHE 45 2HB PHE 45 3.143 1.758 19.600 361 HB3 PHE 45 3HB PHE 45 3.120 2.334 21.264 362 HD1 PHE 45 HD1 PHE 45 5.859 2.499 22.045 363 HD2 PHE 45 HD2 PHE 45 4.110 3.346 18.258 364 HE1 PHE 45 HE1 PHE 45 7.711 4.038 21.538 365 HE2 PHE 45 HE2 PHE 45 5.960 4.885 17.744 366 HZ PHE 45 HZ PHE 45 7.763 5.232 19.385 367 H GLY 46 H GLY 46 4.244 0.776 23.501 368 HA2 GLY 46 2HA GLY 46 2.587 0.474 25.139 369 HA3 GLY 46 3HA GLY 46 1.578 -0.320 23.940 370 H THR 47 H THR 47 3.538 -2.194 23.037 371 HA THR 47 HA THR 47 3.611 -3.960 25.391 372 HB THR 47 HB THR 47 3.431 -5.841 23.951 373 HG1 THR 47 HG1 THR 47 4.009 -3.976 21.894 374 HG21 THR 47 3HG2 THR 47 1.308 -4.739 24.317 375 HG22 THR 47 1HG2 THR 47 1.357 -5.374 22.673 376 HG23 THR 47 2HG2 THR 47 1.601 -3.651 22.961 377 H HIS 48 H HIS 48 5.571 -2.118 23.431 378 HA HIS 48 HA HIS 48 7.813 -2.008 23.050 379 HB2 HIS 48 2HB HIS 48 7.644 -3.473 25.662 380 HB3 HIS 48 3HB HIS 48 9.210 -3.220 24.897 381 HD1 HIS 48 HD1 HIS 48 6.469 -0.641 24.842 382 HD2 HIS 48 HD2 HIS 48 10.111 -1.342 26.713 383 HE1 HIS 48 HE1 HIS 48 7.035 1.499 26.035 384 H GLU 49 H GLU 49 6.250 -4.251 21.894 385 HA GLU 49 HA GLU 49 8.193 -6.414 21.749 386 HB2 GLU 49 2HB GLU 49 5.473 -6.095 20.468 387 HB3 GLU 49 3HB GLU 49 6.481 -7.530 20.341 388 HG2 GLU 49 2HG GLU 49 6.310 -7.924 22.705 389 HG3 GLU 49 3HG GLU 49 5.435 -6.410 22.930 390 H THR 50 H THR 50 8.414 -7.356 19.408 391 HA THR 50 HA THR 50 8.780 -5.216 17.443 392 HB THR 50 HB THR 50 10.959 -5.283 18.367 393 HG1 THR 50 HG1 THR 50 11.996 -5.666 16.527 394 HG21 THR 50 3HG2 THR 50 11.442 -7.065 19.642 395 HG22 THR 50 1HG2 THR 50 11.993 -7.820 18.147 396 HG23 THR 50 2HG2 THR 50 10.357 -8.118 18.735 397 H ALA 51 H ALA 51 8.128 -5.810 15.476 398 HA ALA 51 HA ALA 51 8.071 -8.673 14.806 399 HB1 ALA 51 1HB ALA 51 5.888 -8.191 13.601 400 HB2 ALA 51 2HB ALA 51 5.825 -8.243 15.363 401 HB3 ALA 51 3HB ALA 51 5.829 -6.691 14.527 402 H PHE 52 H PHE 52 8.437 -9.187 12.660 403 HA PHE 52 HA PHE 52 9.494 -6.983 11.031 404 HB2 PHE 52 2HB PHE 52 10.063 -9.944 11.050 405 HB3 PHE 52 3HB PHE 52 10.591 -8.894 9.740 406 HD1 PHE 52 HD2 PHE 52 11.592 -6.542 10.926 407 HD2 PHE 52 HD1 PHE 52 11.815 -10.529 12.397 408 HE1 PHE 52 HE2 PHE 52 13.605 -5.951 12.211 409 HE2 PHE 52 HE1 PHE 52 13.828 -9.945 13.686 410 HZ PHE 52 HZ PHE 52 14.726 -7.654 13.593 411 H LEU 53 H LEU 53 8.199 -6.260 9.487 412 HA LEU 53 HA LEU 53 6.739 -8.163 7.828 413 HB2 LEU 53 2HB LEU 53 5.334 -5.738 8.904 414 HB3 LEU 53 3HB LEU 53 4.643 -7.117 8.051 415 HG LEU 53 HG LEU 53 5.858 -7.367 10.791 416 HD11 LEU 53 1HD1 LEU 53 3.231 -6.284 9.977 417 HD12 LEU 53 2HD1 LEU 53 4.195 -5.970 11.421 418 HD13 LEU 53 3HD1 LEU 53 3.237 -7.446 11.304 419 HD21 LEU 53 3HD2 LEU 53 4.920 -9.461 10.849 420 HD22 LEU 53 1HD2 LEU 53 5.321 -9.329 9.136 421 HD23 LEU 53 2HD2 LEU 53 3.666 -9.053 9.677 422 H GLY 54 H GLY 54 6.869 -7.647 5.733 423 HA2 GLY 54 2HA GLY 54 8.462 -5.575 4.782 424 HA3 GLY 54 3HA GLY 54 7.294 -6.462 3.814 425 HA PRO 55 HA PRO 55 6.047 -1.951 4.257 426 HB2 PRO 55 2HB PRO 55 6.117 -1.360 1.608 427 HB3 PRO 55 3HB PRO 55 7.521 -1.189 2.668 428 HG2 PRO 55 2HG PRO 55 6.833 -3.407 0.778 429 HG3 PRO 55 3HG PRO 55 8.398 -2.622 1.061 430 HD2 PRO 55 2HD PRO 55 7.754 -5.019 2.143 431 HD3 PRO 55 3HD PRO 55 8.815 -3.856 2.963 432 H LYS 56 H LYS 56 5.170 -4.479 1.950 433 HA LYS 56 HA LYS 56 2.604 -3.404 1.328 434 HB2 LYS 56 2HB LYS 56 4.042 -5.959 0.807 435 HB3 LYS 56 3HB LYS 56 2.290 -5.963 0.649 436 HG2 LYS 56 2HG LYS 56 2.846 -5.426 -1.482 437 HG3 LYS 56 3HG LYS 56 2.783 -3.801 -0.796 438 HD2 LYS 56 2HD LYS 56 4.793 -3.890 -2.024 439 HD3 LYS 56 3HD LYS 56 5.268 -4.063 -0.333 440 HE2 LYS 56 2HE LYS 56 6.511 -5.696 -1.454 441 HE3 LYS 56 3HE LYS 56 5.159 -6.584 -0.753 442 HZ1 LYS 56 3HZ LYS 56 4.293 -5.771 -3.232 443 HZ2 LYS 56 1HZ LYS 56 4.757 -7.336 -2.784 444 HZ3 LYS 56 2HZ LYS 56 5.885 -6.287 -3.483 445 H ASP 57 H ASP 57 3.813 -4.870 4.080 446 HA ASP 57 HA ASP 57 1.233 -6.021 4.857 447 HB2 ASP 57 2HB ASP 57 4.046 -6.385 5.743 448 HB3 ASP 57 3HB ASP 57 2.796 -6.560 6.972 449 H ILE 58 H ILE 58 3.405 -3.388 5.559 450 HA ILE 58 HA ILE 58 1.827 -2.565 7.874 451 HB ILE 58 HB ILE 58 3.522 -0.739 8.073 452 HG12 ILE 58 2HG1 ILE 58 4.973 -2.269 5.904 453 HG13 ILE 58 3HG1 ILE 58 4.144 -0.737 5.648 454 HG21 ILE 58 1HG2 ILE 58 4.311 -2.238 9.517 455 HG22 ILE 58 2HG2 ILE 58 3.903 -3.582 8.451 456 HG23 ILE 58 3HG2 ILE 58 5.438 -2.736 8.255 457 HD11 ILE 58 3HD1 ILE 58 6.588 -0.521 5.928 458 HD12 ILE 58 1HD1 ILE 58 5.661 0.388 7.121 459 HD13 ILE 58 2HD1 ILE 58 6.420 -1.138 7.572 460 H PHE 59 H PHE 59 0.493 -0.832 7.913 461 HA PHE 59 HA PHE 59 0.188 0.678 5.401 462 HB2 PHE 59 2HB PHE 59 -1.795 -0.619 7.172 463 HB3 PHE 59 3HB PHE 59 -2.230 0.982 6.583 464 HD1 PHE 59 HD2 PHE 59 -0.930 -2.283 5.346 465 HD2 PHE 59 HD1 PHE 59 -3.287 1.170 4.548 466 HE1 PHE 59 HE2 PHE 59 -1.646 -3.270 3.209 467 HE2 PHE 59 HE1 PHE 59 -4.008 0.188 2.410 468 HZ PHE 59 HZ PHE 59 -3.187 -2.034 1.738 469 HA PRO 60 HA PRO 60 0.740 4.462 7.548 470 HB2 PRO 60 2HB PRO 60 -1.129 6.075 6.418 471 HB3 PRO 60 3HB PRO 60 0.327 5.547 5.565 472 HG2 PRO 60 2HG PRO 60 -2.460 4.466 5.403 473 HG3 PRO 60 3HG PRO 60 -1.304 4.781 4.096 474 HD2 PRO 60 2HD PRO 60 -1.733 2.301 5.096 475 HD3 PRO 60 3HD PRO 60 -0.154 2.819 4.470 476 H TYR 61 H TYR 61 0.177 5.227 9.491 477 HA TYR 61 HA TYR 61 -2.091 4.270 10.866 478 HB2 TYR 61 2HB TYR 61 -1.156 5.220 12.706 479 HB3 TYR 61 3HB TYR 61 0.251 5.346 11.655 480 HD1 TYR 61 HD1 TYR 61 0.557 7.545 10.360 481 HD2 TYR 61 HD2 TYR 61 -2.077 7.134 13.676 482 HE1 TYR 61 HE1 TYR 61 0.574 9.986 10.668 483 HE2 TYR 61 HE2 TYR 61 -2.069 9.573 13.992 484 HH TYR 61 HH TYR 61 0.136 11.574 12.799 485 H SER 62 H SER 62 -1.728 6.808 8.657 486 HA SER 62 HA SER 62 -3.683 8.607 9.673 487 HB2 SER 62 2HB SER 62 -1.828 8.993 7.876 488 HB3 SER 62 3HB SER 62 -3.040 8.383 6.748 489 HG SER 62 HG SER 62 -3.861 10.305 6.801 490 H GLU 63 H GLU 63 -3.869 5.600 8.074 491 HA GLU 63 HA GLU 63 -6.601 6.078 7.145 492 HB2 GLU 63 2HB GLU 63 -4.507 4.043 6.573 493 HB3 GLU 63 3HB GLU 63 -6.186 3.539 6.436 494 HG2 GLU 63 2HG GLU 63 -5.256 6.029 5.079 495 HG3 GLU 63 3HG GLU 63 -4.940 4.451 4.360 496 H ASN 64 H ASN 64 -4.805 4.401 9.606 497 HA ASN 64 HA ASN 64 -7.108 2.857 10.470 498 HB2 ASN 64 2HB ASN 64 -4.314 3.098 11.609 499 HB3 ASN 64 3HB ASN 64 -5.560 2.024 12.237 500 HD21 ASN 64 1HD2 ASN 64 -6.321 0.320 10.879 501 HD22 ASN 64 2HD2 ASN 64 -5.300 -0.329 9.646 502 H LYS 65 H LYS 65 -5.172 5.597 11.574 503 HA LYS 65 HA LYS 65 -6.297 5.966 14.092 504 HB2 LYS 65 2HB LYS 65 -5.409 8.167 14.037 505 HB3 LYS 65 3HB LYS 65 -4.303 7.168 13.104 506 HG2 LYS 65 2HG LYS 65 -5.308 7.980 11.033 507 HG3 LYS 65 3HG LYS 65 -6.426 8.977 11.967 508 HD2 LYS 65 2HD LYS 65 -4.218 9.915 13.027 509 HD3 LYS 65 3HD LYS 65 -3.488 9.300 11.542 510 HE2 LYS 65 2HE LYS 65 -5.218 10.595 10.269 511 HE3 LYS 65 3HE LYS 65 -5.705 11.326 11.798 512 HZ1 LYS 65 3HZ LYS 65 -3.151 11.848 11.921 513 HZ2 LYS 65 1HZ LYS 65 -4.210 12.858 11.072 514 HZ3 LYS 65 2HZ LYS 65 -3.263 11.734 10.237 515 H GLU 66 H GLU 66 -7.606 6.579 10.951 516 HA GLU 66 HA GLU 66 -9.717 8.303 11.946 517 HB2 GLU 66 2HB GLU 66 -10.476 8.388 9.635 518 HB3 GLU 66 3HB GLU 66 -8.749 8.704 9.721 519 HG2 GLU 66 2HG GLU 66 -8.205 6.612 8.831 520 HG3 GLU 66 3HG GLU 66 -9.818 5.968 9.132 521 H LYS 67 H LYS 67 -9.158 4.967 11.494 522 HA LYS 67 HA LYS 67 -11.879 4.165 11.113 523 HB2 LYS 67 2HB LYS 67 -9.372 2.675 11.876 524 HB3 LYS 67 3HB LYS 67 -10.939 1.883 11.765 525 HG2 LYS 67 2HG LYS 67 -9.691 3.413 9.496 526 HG3 LYS 67 3HG LYS 67 -9.484 1.677 9.740 527 HD2 LYS 67 2HD LYS 67 -12.148 3.061 9.432 528 HD3 LYS 67 3HD LYS 67 -11.284 2.246 8.126 529 HE2 LYS 67 2HE LYS 67 -12.295 0.361 8.732 530 HE3 LYS 67 3HE LYS 67 -11.360 0.405 10.226 531 HZ1 LYS 67 3HZ LYS 67 -14.093 0.558 9.990 532 HZ2 LYS 67 1HZ LYS 67 -13.610 2.134 10.373 533 HZ3 LYS 67 2HZ LYS 67 -13.181 0.849 11.385 534 H TYR 68 H TYR 68 -9.659 3.678 13.867 535 HA TYR 68 HA TYR 68 -11.953 4.042 15.669 536 HB2 TYR 68 2HB TYR 68 -9.899 2.104 16.541 537 HB3 TYR 68 3HB TYR 68 -11.647 2.065 16.747 538 HD1 TYR 68 HD2 TYR 68 -13.079 1.080 15.039 539 HD2 TYR 68 HD1 TYR 68 -8.850 1.138 14.580 540 HE1 TYR 68 HE2 TYR 68 -13.258 -0.586 13.239 541 HE2 TYR 68 HE1 TYR 68 -9.017 -0.527 12.777 542 HH TYR 68 HH TYR 68 -12.078 -1.472 11.428 543 H GLY 69 H GLY 69 -8.592 4.472 14.982 544 HA2 GLY 69 2HA GLY 69 -7.104 6.001 15.867 545 HA3 GLY 69 3HA GLY 69 -8.383 6.558 16.937 546 H LYS 70 H LYS 70 -8.613 3.538 17.672 547 HA LYS 70 HA LYS 70 -6.197 3.181 19.244 548 HB2 LYS 70 2HB LYS 70 -7.820 2.756 21.281 549 HB3 LYS 70 3HB LYS 70 -7.211 4.368 20.928 550 HG2 LYS 70 2HG LYS 70 -9.751 3.594 19.631 551 HG3 LYS 70 3HG LYS 70 -9.786 3.848 21.377 552 HD2 LYS 70 2HD LYS 70 -8.567 6.051 20.886 553 HD3 LYS 70 3HD LYS 70 -9.052 5.793 19.209 554 HE2 LYS 70 2HE LYS 70 -10.750 7.132 20.086 555 HE3 LYS 70 3HE LYS 70 -11.422 5.503 20.143 556 HZ1 LYS 70 3HZ LYS 70 -11.455 7.158 22.210 557 HZ2 LYS 70 1HZ LYS 70 -9.980 6.386 22.509 558 HZ3 LYS 70 2HZ LYS 70 -11.400 5.476 22.383 559 HA PRO 71 HA PRO 71 -7.014 -1.094 18.696 560 HB2 PRO 71 2HB PRO 71 -6.140 -2.168 21.031 561 HB3 PRO 71 3HB PRO 71 -5.046 -1.520 19.803 562 HG2 PRO 71 2HG PRO 71 -6.035 -0.242 22.323 563 HG3 PRO 71 3HG PRO 71 -4.401 -0.242 21.636 564 HD2 PRO 71 2HD PRO 71 -6.088 1.860 21.381 565 HD3 PRO 71 3HD PRO 71 -4.895 1.437 20.136 566 H ASN 72 H ASN 72 -8.549 -2.659 19.050 567 HA ASN 72 HA ASN 72 -10.682 -1.948 20.923 568 HB2 ASN 72 2HB ASN 72 -10.578 -3.172 18.295 569 HB3 ASN 72 3HB ASN 72 -11.516 -4.152 19.419 570 HD21 ASN 72 1HD2 ASN 72 -13.573 -3.660 19.604 571 HD22 ASN 72 2HD2 ASN 72 -14.295 -2.138 19.221 572 H LYS 73 H LYS 73 -9.032 -4.915 19.823 573 HA LYS 73 HA LYS 73 -9.375 -5.992 22.545 574 HB2 LYS 73 2HB LYS 73 -10.659 -7.064 20.542 575 HB3 LYS 73 3HB LYS 73 -9.094 -7.756 20.135 576 HG2 LYS 73 2HG LYS 73 -8.992 -8.776 22.374 577 HG3 LYS 73 3HG LYS 73 -10.601 -8.135 22.715 578 HD2 LYS 73 2HD LYS 73 -10.907 -10.386 22.040 579 HD3 LYS 73 3HD LYS 73 -11.398 -9.387 20.670 580 HE2 LYS 73 2HE LYS 73 -9.299 -9.792 19.563 581 HE3 LYS 73 3HE LYS 73 -8.676 -10.649 20.972 582 HZ1 LYS 73 3HZ LYS 73 -11.121 -11.595 19.630 583 HZ2 LYS 73 1HZ LYS 73 -10.014 -12.465 20.567 584 HZ3 LYS 73 2HZ LYS 73 -9.603 -11.989 18.997 585 H ARG 74 H ARG 74 -7.154 -4.419 21.547 586 HA ARG 74 HA ARG 74 -5.013 -6.442 21.656 587 HB2 ARG 74 2HB ARG 74 -5.094 -3.752 20.292 588 HB3 ARG 74 3HB ARG 74 -3.595 -4.625 20.580 589 HG2 ARG 74 2HG ARG 74 -5.928 -5.618 18.954 590 HG3 ARG 74 3HG ARG 74 -4.413 -4.975 18.315 591 HD2 ARG 74 2HD ARG 74 -3.686 -7.085 18.313 592 HD3 ARG 74 3HD ARG 74 -3.581 -6.931 20.066 593 HE ARG 74 HE ARG 74 -6.194 -7.692 19.234 594 HH11 ARG 74 1HH1 ARG 74 -2.976 -8.905 19.775 595 HH12 ARG 74 2HH1 ARG 74 -3.500 -10.525 20.096 596 HH21 ARG 74 1HH2 ARG 74 -6.897 -9.821 19.655 597 HH22 ARG 74 2HH2 ARG 74 -5.730 -11.045 20.027 598 H LYS 75 H LYS 75 -3.933 -6.476 23.502 599 HA LYS 75 HA LYS 75 -4.302 -4.688 25.607 600 HB2 LYS 75 2HB LYS 75 -3.291 -7.076 25.586 601 HB3 LYS 75 3HB LYS 75 -1.763 -6.261 25.279 602 HG2 LYS 75 2HG LYS 75 -1.934 -5.049 27.348 603 HG3 LYS 75 3HG LYS 75 -3.549 -5.700 27.638 604 HD2 LYS 75 2HD LYS 75 -2.644 -7.941 27.826 605 HD3 LYS 75 3HD LYS 75 -1.029 -7.350 27.431 606 HE2 LYS 75 2HE LYS 75 -2.593 -6.355 29.800 607 HE3 LYS 75 3HE LYS 75 -1.523 -7.754 29.886 608 HZ1 LYS 75 3HZ LYS 75 0.138 -6.351 30.227 609 HZ2 LYS 75 1HZ LYS 75 -0.862 -5.009 29.979 610 HZ3 LYS 75 2HZ LYS 75 -0.079 -5.733 28.667 611 H GLY 76 H GLY 76 -3.075 -3.001 26.449 612 HA2 GLY 76 2HA GLY 76 -1.071 -1.634 26.413 613 HA3 GLY 76 3HA GLY 76 -0.957 -1.945 24.687 614 H PHE 77 H PHE 77 -4.139 -1.498 25.209 615 HA PHE 77 HA PHE 77 -4.349 0.897 23.845 616 HB2 PHE 77 2HB PHE 77 -6.663 0.948 24.525 617 HB3 PHE 77 3HB PHE 77 -6.205 -0.727 24.237 618 HD1 PHE 77 HD2 PHE 77 -7.097 1.757 26.771 619 HD2 PHE 77 HD1 PHE 77 -6.084 -2.313 26.043 620 HE1 PHE 77 HE2 PHE 77 -7.883 1.161 29.025 621 HE2 PHE 77 HE1 PHE 77 -6.870 -2.915 28.296 622 HZ PHE 77 HZ PHE 77 -7.770 -1.177 29.790 623 H ASN 78 H ASN 78 -4.324 3.014 24.370 624 HA ASN 78 HA ASN 78 -3.998 4.922 25.564 625 HB2 ASN 78 2HB ASN 78 -5.795 3.368 27.109 626 HB3 ASN 78 3HB ASN 78 -4.634 4.075 28.229 627 HD21 ASN 78 1HD2 ASN 78 -5.941 5.330 25.194 628 HD22 ASN 78 2HD2 ASN 78 -6.644 6.751 25.881 629 H GLU 79 H GLU 79 -2.007 2.615 25.494 630 HA GLU 79 HA GLU 79 -0.299 3.580 27.694 631 HB2 GLU 79 2HB GLU 79 -1.147 1.119 27.715 632 HB3 GLU 79 3HB GLU 79 0.047 0.873 26.449 633 HG2 GLU 79 2HG GLU 79 0.871 0.285 28.692 634 HG3 GLU 79 3HG GLU 79 1.823 1.546 27.912 635 H GLY 80 H GLY 80 -0.081 5.138 25.647 636 HA2 GLY 80 2HA GLY 80 2.079 5.851 24.716 637 HA3 GLY 80 3HA GLY 80 2.308 4.190 24.188 638 H LEU 81 H LEU 81 -0.884 4.927 23.755 639 HA LEU 81 HA LEU 81 -0.674 4.936 20.928 640 HB2 LEU 81 2HB LEU 81 -2.603 3.985 21.988 641 HB3 LEU 81 3HB LEU 81 -2.983 5.517 22.772 642 HG LEU 81 HG LEU 81 -3.101 6.262 20.180 643 HD11 LEU 81 1HD1 LEU 81 -2.706 3.707 19.726 644 HD12 LEU 81 2HD1 LEU 81 -3.848 4.634 18.755 645 HD13 LEU 81 3HD1 LEU 81 -4.434 3.603 20.060 646 HD21 LEU 81 3HD2 LEU 81 -5.335 4.990 21.758 647 HD22 LEU 81 1HD2 LEU 81 -5.518 6.109 20.407 648 HD23 LEU 81 2HD2 LEU 81 -4.785 6.659 21.914 649 H TRP 82 H TRP 82 -1.188 7.455 23.334 650 HA TRP 82 HA TRP 82 -1.644 9.508 21.370 651 HB2 TRP 82 2HB TRP 82 -2.716 9.832 23.469 652 HB3 TRP 82 3HB TRP 82 -1.219 9.555 24.356 653 HD1 TRP 82 HD1 TRP 82 -3.067 12.243 22.363 654 HE1 TRP 82 HE1 TRP 82 -1.946 14.516 22.807 655 HE3 TRP 82 HE3 TRP 82 1.009 10.637 24.997 656 HZ2 TRP 82 HZ2 TRP 82 0.361 15.499 24.103 657 HZ3 TRP 82 HZ3 TRP 82 2.625 12.307 25.803 658 HH2 TRP 82 HH2 TRP 82 2.306 14.688 25.364 659 H GLU 83 H GLU 83 1.085 7.977 22.677 660 HA GLU 83 HA GLU 83 2.880 10.222 22.390 661 HB2 GLU 83 2HB GLU 83 3.229 7.323 23.097 662 HB3 GLU 83 3HB GLU 83 4.622 8.333 22.732 663 HG2 GLU 83 2HG GLU 83 4.221 9.736 24.575 664 HG3 GLU 83 3HG GLU 83 2.599 9.088 24.814 665 H ILE 84 H ILE 84 1.632 7.726 20.400 666 HA ILE 84 HA ILE 84 3.685 7.323 18.567 667 HB ILE 84 HB ILE 84 1.474 6.097 18.671 668 HG12 ILE 84 2HG1 ILE 84 2.460 7.101 15.992 669 HG13 ILE 84 3HG1 ILE 84 3.066 5.701 16.871 670 HG21 ILE 84 1HG2 ILE 84 0.359 8.042 16.732 671 HG22 ILE 84 2HG2 ILE 84 -0.463 6.982 17.876 672 HG23 ILE 84 3HG2 ILE 84 0.299 8.468 18.442 673 HD11 ILE 84 3HD1 ILE 84 0.297 5.327 16.570 674 HD12 ILE 84 1HD1 ILE 84 0.916 5.868 15.010 675 HD13 ILE 84 2HD1 ILE 84 1.609 4.445 15.789 676 H ASP 85 H ASP 85 1.523 10.021 18.971 677 HA ASP 85 HA ASP 85 2.699 11.293 16.586 678 HB2 ASP 85 2HB ASP 85 0.090 10.862 16.891 679 HB3 ASP 85 3HB ASP 85 0.199 12.363 17.806 680 H ASN 86 H ASN 86 3.169 11.174 19.742 681 HA ASN 86 HA ASN 86 3.803 14.044 19.937 682 HB2 ASN 86 2HB ASN 86 2.554 12.223 21.975 683 HB3 ASN 86 3HB ASN 86 3.489 13.625 22.486 684 HD21 ASN 86 1HD2 ASN 86 0.683 12.565 20.680 685 HD22 ASN 86 2HD2 ASN 86 -0.171 14.065 20.760 686 H ASN 87 H ASN 87 4.482 11.100 21.833 687 HA ASN 87 HA ASN 87 7.339 11.809 21.722 688 HB2 ASN 87 2HB ASN 87 6.072 11.733 23.978 689 HB3 ASN 87 3HB ASN 87 6.131 9.983 23.785 690 HD21 ASN 87 1HD2 ASN 87 8.381 9.153 23.207 691 HD22 ASN 87 2HD2 ASN 87 9.686 9.816 24.125 692 HA PRO 88 HA PRO 88 6.889 7.904 19.279 693 HB2 PRO 88 2HB PRO 88 8.655 8.643 17.354 694 HB3 PRO 88 3HB PRO 88 6.943 9.077 17.304 695 HG2 PRO 88 2HG PRO 88 9.287 10.715 18.189 696 HG3 PRO 88 3HG PRO 88 7.901 11.193 17.192 697 HD2 PRO 88 2HD PRO 88 8.074 11.789 19.828 698 HD3 PRO 88 3HD PRO 88 6.525 11.478 19.019 699 H LYS 89 H LYS 89 9.320 9.514 20.994 700 HA LYS 89 HA LYS 89 11.205 7.283 20.635 701 HB2 LYS 89 2HB LYS 89 12.947 8.757 21.432 702 HB3 LYS 89 3HB LYS 89 12.079 9.547 20.121 703 HG2 LYS 89 2HG LYS 89 10.805 10.848 21.766 704 HG3 LYS 89 3HG LYS 89 11.721 10.079 23.064 705 HD2 LYS 89 2HD LYS 89 13.782 10.955 21.681 706 HD3 LYS 89 3HD LYS 89 12.595 12.102 21.055 707 HE2 LYS 89 2HE LYS 89 12.136 12.938 23.231 708 HE3 LYS 89 3HE LYS 89 13.034 11.628 23.996 709 HZ1 LYS 89 3HZ LYS 89 14.947 12.715 23.748 710 HZ2 LYS 89 1HZ LYS 89 14.015 14.089 23.424 711 HZ3 LYS 89 2HZ LYS 89 14.615 13.154 22.149 712 H VAL 90 H VAL 90 8.855 7.106 22.289 713 HA VAL 90 HA VAL 90 9.605 7.453 25.030 714 HB VAL 90 HB VAL 90 7.242 7.481 24.261 715 HG11 VAL 90 1HG1 VAL 90 7.297 5.712 22.626 716 HG12 VAL 90 2HG1 VAL 90 7.704 4.527 23.869 717 HG13 VAL 90 3HG1 VAL 90 6.121 5.305 23.876 718 HG21 VAL 90 3HG2 VAL 90 6.907 5.341 26.106 719 HG22 VAL 90 1HG2 VAL 90 8.337 6.262 26.572 720 HG23 VAL 90 2HG2 VAL 90 6.782 7.076 26.396 721 H LYS 91 H LYS 91 10.164 5.048 22.665 722 HA LYS 91 HA LYS 91 10.280 2.698 24.117 723 HB2 LYS 91 2HB LYS 91 11.949 1.939 22.464 724 HB3 LYS 91 3HB LYS 91 10.579 2.742 21.707 725 HG2 LYS 91 2HG LYS 91 12.201 3.791 20.556 726 HG3 LYS 91 3HG LYS 91 12.227 4.838 21.977 727 HD2 LYS 91 2HD LYS 91 14.290 4.185 22.531 728 HD3 LYS 91 3HD LYS 91 13.886 2.480 22.319 729 HE2 LYS 91 2HE LYS 91 14.223 2.686 19.916 730 HE3 LYS 91 3HE LYS 91 14.574 4.404 20.099 731 HZ1 LYS 91 3HZ LYS 91 16.647 3.988 20.800 732 HZ2 LYS 91 1HZ LYS 91 16.433 2.480 20.062 733 HZ3 LYS 91 2HZ LYS 91 16.195 2.647 21.728 734 H PHE 92 H PHE 92 12.448 5.421 24.144 735 HA PHE 92 HA PHE 92 14.729 4.251 25.241 736 HB2 PHE 92 2HB PHE 92 14.349 6.663 24.386 737 HB3 PHE 92 3HB PHE 92 13.800 7.002 26.024 738 HD1 PHE 92 HD1 PHE 92 15.470 6.067 27.896 739 HD2 PHE 92 HD2 PHE 92 16.543 7.101 23.909 740 HE1 PHE 92 HE1 PHE 92 17.801 6.394 28.612 741 HE2 PHE 92 HE2 PHE 92 18.876 7.428 24.618 742 HZ PHE 92 HZ PHE 92 19.508 7.074 26.971 743 H SER 93 H SER 93 12.004 5.817 26.916 744 HA SER 93 HA SER 93 12.922 5.266 29.524 745 HB2 SER 93 2HB SER 93 10.878 6.115 30.275 746 HB3 SER 93 3HB SER 93 11.071 6.908 28.711 747 HG SER 93 HG SER 93 9.654 5.416 27.816 Start of MODEL 8 1 H MET 1 H MET 1 1.794 -0.073 1.004 2 HA MET 1 HA MET 1 1.433 -0.545 -1.867 3 HB2 MET 1 2HB MET 1 2.892 1.802 -0.645 4 HB3 MET 1 3HB MET 1 3.009 1.343 -2.338 5 HG2 MET 1 2HG MET 1 0.629 1.734 -2.628 6 HG3 MET 1 3HG MET 1 0.479 2.148 -0.921 7 HE1 MET 1 3HE MET 1 0.924 2.939 -4.259 8 HE2 MET 1 1HE MET 1 0.629 4.678 -4.216 9 HE3 MET 1 2HE MET 1 2.271 4.067 -4.417 10 H THR 2 H THR 2 3.636 -0.756 -2.966 11 HA THR 2 HA THR 2 5.231 -2.589 -1.361 12 HB THR 2 HB THR 2 6.216 -3.345 -3.399 13 HG1 THR 2 HG1 THR 2 6.449 -2.038 -5.043 14 HG21 THR 2 3HG2 THR 2 3.615 -2.987 -4.636 15 HG22 THR 2 1HG2 THR 2 3.481 -3.435 -2.937 16 HG23 THR 2 2HG2 THR 2 4.389 -4.458 -4.050 17 H ARG 3 H ARG 3 5.253 0.590 -1.595 18 HA ARG 3 HA ARG 3 7.996 1.119 -2.265 19 HB2 ARG 3 2HB ARG 3 5.940 2.866 -0.898 20 HB3 ARG 3 3HB ARG 3 7.501 3.409 -1.497 21 HG2 ARG 3 2HG ARG 3 5.283 2.270 -3.185 22 HG3 ARG 3 3HG ARG 3 5.677 3.982 -3.020 23 HD2 ARG 3 2HD ARG 3 7.438 1.823 -4.173 24 HD3 ARG 3 3HD ARG 3 6.636 3.116 -5.062 25 HE ARG 3 HE ARG 3 8.254 4.292 -3.121 26 HH11 ARG 3 1HH1 ARG 3 8.587 2.368 -6.002 27 HH12 ARG 3 2HH1 ARG 3 10.142 3.014 -6.411 28 HH21 ARG 3 1HH2 ARG 3 10.300 5.150 -3.648 29 HH22 ARG 3 2HH2 ARG 3 11.116 4.596 -5.071 30 H ASP 4 H ASP 4 9.426 2.289 -0.684 31 HA ASP 4 HA ASP 4 9.544 0.733 1.772 32 HB2 ASP 4 2HB ASP 4 11.803 1.518 1.984 33 HB3 ASP 4 3HB ASP 4 11.555 1.053 0.303 34 H PHE 5 H PHE 5 10.030 1.782 3.832 35 HA PHE 5 HA PHE 5 8.655 4.377 4.058 36 HB2 PHE 5 2HB PHE 5 8.671 1.945 5.793 37 HB3 PHE 5 3HB PHE 5 8.458 3.519 6.551 38 HD1 PHE 5 HD1 PHE 5 6.472 4.845 6.133 39 HD2 PHE 5 HD2 PHE 5 6.977 1.009 4.359 40 HE1 PHE 5 HE1 PHE 5 4.079 4.797 5.564 41 HE2 PHE 5 HE2 PHE 5 4.585 0.955 3.787 42 HZ PHE 5 HZ PHE 5 3.133 2.851 4.388 43 H LYS 6 H LYS 6 9.322 5.376 6.353 44 HA LYS 6 HA LYS 6 12.267 5.481 6.350 45 HB2 LYS 6 2HB LYS 6 12.167 7.784 6.910 46 HB3 LYS 6 3HB LYS 6 11.015 7.552 5.602 47 HG2 LYS 6 2HG LYS 6 9.294 7.269 7.535 48 HG3 LYS 6 3HG LYS 6 10.516 8.117 8.486 49 HD2 LYS 6 2HD LYS 6 9.302 9.112 5.908 50 HD3 LYS 6 3HD LYS 6 8.855 9.656 7.527 51 HE2 LYS 6 2HE LYS 6 10.381 11.264 7.140 52 HE3 LYS 6 3HE LYS 6 11.536 10.013 7.597 53 HZ1 LYS 6 3HZ LYS 6 12.306 9.858 5.517 54 HZ2 LYS 6 1HZ LYS 6 11.601 11.378 5.288 55 HZ3 LYS 6 2HZ LYS 6 10.774 9.982 4.812 56 HA PRO 7 HA PRO 7 12.351 4.236 10.560 57 HB2 PRO 7 2HB PRO 7 14.507 5.612 11.470 58 HB3 PRO 7 3HB PRO 7 14.641 4.223 10.385 59 HG2 PRO 7 2HG PRO 7 14.741 7.145 9.742 60 HG3 PRO 7 3HG PRO 7 15.758 5.829 9.127 61 HD2 PRO 7 2HD PRO 7 13.694 6.858 7.709 62 HD3 PRO 7 3HD PRO 7 14.176 5.153 7.593 63 H GLY 8 H GLY 8 10.841 4.876 11.969 64 HA2 GLY 8 2HA GLY 8 10.312 6.243 13.873 65 HA3 GLY 8 3HA GLY 8 11.019 7.615 13.033 66 H ASP 9 H ASP 9 9.224 5.884 10.848 67 HA ASP 9 HA ASP 9 7.181 7.900 10.766 68 HB2 ASP 9 2HB ASP 9 8.321 6.190 8.907 69 HB3 ASP 9 3HB ASP 9 6.696 5.542 9.115 70 H LEU 10 H LEU 10 5.036 7.722 11.269 71 HA LEU 10 HA LEU 10 4.334 5.603 13.116 72 HB2 LEU 10 2HB LEU 10 2.737 7.982 12.179 73 HB3 LEU 10 3HB LEU 10 2.302 6.901 13.502 74 HG LEU 10 HG LEU 10 3.138 8.779 14.581 75 HD11 LEU 10 1HD1 LEU 10 5.647 7.150 14.313 76 HD12 LEU 10 2HD1 LEU 10 4.239 6.579 15.208 77 HD13 LEU 10 3HD1 LEU 10 5.065 8.053 15.712 78 HD21 LEU 10 3HD2 LEU 10 4.137 9.609 12.309 79 HD22 LEU 10 1HD2 LEU 10 5.632 8.928 12.951 80 HD23 LEU 10 2HD2 LEU 10 4.789 10.197 13.839 81 H ILE 11 H ILE 11 3.704 3.729 12.258 82 HA ILE 11 HA ILE 11 1.515 3.768 10.317 83 HB ILE 11 HB ILE 11 2.562 1.942 9.014 84 HG12 ILE 11 2HG1 ILE 11 5.203 1.991 9.356 85 HG13 ILE 11 3HG1 ILE 11 4.736 2.400 11.003 86 HG21 ILE 11 1HG2 ILE 11 3.638 3.375 7.602 87 HG22 ILE 11 2HG2 ILE 11 2.827 4.545 8.641 88 HG23 ILE 11 3HG2 ILE 11 4.529 4.165 8.903 89 HD11 ILE 11 3HD1 ILE 11 4.999 -0.124 9.987 90 HD12 ILE 11 1HD1 ILE 11 4.123 0.312 11.454 91 HD13 ILE 11 2HD1 ILE 11 3.257 0.141 9.926 92 H PHE 12 H PHE 12 0.094 2.063 10.481 93 HA PHE 12 HA PHE 12 0.174 0.604 12.964 94 HB2 PHE 12 2HB PHE 12 -1.821 1.087 10.820 95 HB3 PHE 12 3HB PHE 12 -1.998 -0.403 11.742 96 HD1 PHE 12 HD2 PHE 12 -0.993 3.061 12.693 97 HD2 PHE 12 HD1 PHE 12 -3.704 -0.171 13.257 98 HE1 PHE 12 HE2 PHE 12 -2.108 4.314 14.494 99 HE2 PHE 12 HE1 PHE 12 -4.824 1.077 15.058 100 HZ PHE 12 HZ PHE 12 -4.025 3.322 15.679 101 H ALA 13 H ALA 13 1.350 -1.181 13.143 102 HA ALA 13 HA ALA 13 2.052 -2.782 10.855 103 HB1 ALA 13 1HB ALA 13 2.950 -2.497 13.593 104 HB2 ALA 13 2HB ALA 13 2.826 -4.189 13.112 105 HB3 ALA 13 3HB ALA 13 3.821 -3.077 12.173 106 H LYS 14 H LYS 14 1.154 -4.640 10.190 107 HA LYS 14 HA LYS 14 -1.056 -5.733 11.802 108 HB2 LYS 14 2HB LYS 14 -1.777 -4.819 9.650 109 HB3 LYS 14 3HB LYS 14 -0.620 -5.846 8.811 110 HG2 LYS 14 2HG LYS 14 -2.664 -6.935 8.558 111 HG3 LYS 14 3HG LYS 14 -1.861 -7.811 9.864 112 HD2 LYS 14 2HD LYS 14 -3.214 -6.811 11.508 113 HD3 LYS 14 3HD LYS 14 -3.773 -5.554 10.401 114 HE2 LYS 14 2HE LYS 14 -5.455 -7.337 10.878 115 HE3 LYS 14 3HE LYS 14 -5.083 -7.124 9.168 116 HZ1 LYS 14 3HZ LYS 14 -4.217 -9.168 9.023 117 HZ2 LYS 14 1HZ LYS 14 -5.084 -9.484 10.441 118 HZ3 LYS 14 2HZ LYS 14 -3.444 -9.078 10.525 119 H MET 15 H MET 15 -0.290 -7.420 12.924 120 HA MET 15 HA MET 15 1.739 -9.162 11.821 121 HB2 MET 15 2HB MET 15 0.445 -8.777 14.461 122 HB3 MET 15 3HB MET 15 1.030 -10.397 14.105 123 HG2 MET 15 2HG MET 15 2.905 -8.205 13.526 124 HG3 MET 15 3HG MET 15 2.523 -8.467 15.226 125 HE1 MET 15 3HE MET 15 2.778 -12.166 15.457 126 HE2 MET 15 1HE MET 15 3.940 -11.286 16.451 127 HE3 MET 15 2HE MET 15 2.321 -10.632 16.201 128 H LYS 16 H LYS 16 1.466 -11.195 11.055 129 HA LYS 16 HA LYS 16 -0.941 -11.984 9.932 130 HB2 LYS 16 2HB LYS 16 1.627 -13.363 10.549 131 HB3 LYS 16 3HB LYS 16 0.248 -14.359 10.101 132 HG2 LYS 16 2HG LYS 16 1.477 -13.932 8.124 133 HG3 LYS 16 3HG LYS 16 0.013 -12.949 8.044 134 HD2 LYS 16 2HD LYS 16 1.166 -10.973 8.420 135 HD3 LYS 16 3HD LYS 16 2.534 -11.797 9.172 136 HE2 LYS 16 2HE LYS 16 2.773 -12.870 6.782 137 HE3 LYS 16 3HE LYS 16 1.879 -11.433 6.287 138 HZ1 LYS 16 3HZ LYS 16 3.575 -10.061 7.318 139 HZ2 LYS 16 1HZ LYS 16 4.269 -11.087 6.165 140 HZ3 LYS 16 2HZ LYS 16 4.428 -11.436 7.813 141 H GLY 17 H GLY 17 -2.778 -12.397 10.976 142 HA2 GLY 17 2HA GLY 17 -4.146 -13.869 12.227 143 HA3 GLY 17 3HA GLY 17 -2.731 -14.366 13.142 144 H TYR 18 H TYR 18 -3.003 -11.002 12.722 145 HA TYR 18 HA TYR 18 -4.518 -10.611 15.180 146 HB2 TYR 18 2HB TYR 18 -1.765 -9.407 14.905 147 HB3 TYR 18 3HB TYR 18 -2.808 -9.408 16.323 148 HD1 TYR 18 HD1 TYR 18 -0.634 -11.500 14.199 149 HD2 TYR 18 HD2 TYR 18 -2.847 -11.262 17.825 150 HE1 TYR 18 HE1 TYR 18 0.469 -13.548 14.999 151 HE2 TYR 18 HE2 TYR 18 -1.750 -13.309 18.636 152 HH TYR 18 HH TYR 18 0.915 -14.767 16.926 153 HA PRO 19 HA PRO 19 -5.952 -7.000 13.137 154 HB2 PRO 19 2HB PRO 19 -6.490 -5.386 15.253 155 HB3 PRO 19 3HB PRO 19 -7.479 -6.792 14.841 156 HG2 PRO 19 2HG PRO 19 -5.331 -6.527 16.910 157 HG3 PRO 19 3HG PRO 19 -6.911 -7.324 17.033 158 HD2 PRO 19 2HD PRO 19 -4.614 -8.698 16.620 159 HD3 PRO 19 3HD PRO 19 -6.175 -9.226 15.959 160 H HIS 20 H HIS 20 -5.637 -4.564 13.078 161 HA HIS 20 HA HIS 20 -2.883 -3.992 12.744 162 HB2 HIS 20 2HB HIS 20 -5.156 -2.003 12.864 163 HB3 HIS 20 3HB HIS 20 -3.589 -1.779 12.092 164 HD1 HIS 20 HD1 HIS 20 -6.842 -3.621 11.661 165 HD2 HIS 20 HD2 HIS 20 -3.383 -2.776 9.522 166 HE1 HIS 20 HE1 HIS 20 -7.314 -4.355 9.303 167 H TRP 21 H TRP 21 -1.557 -2.521 13.858 168 HA TRP 21 HA TRP 21 -2.475 -1.500 16.425 169 HB2 TRP 21 2HB TRP 21 -1.666 -3.726 17.001 170 HB3 TRP 21 3HB TRP 21 -0.143 -3.411 16.173 171 HD1 TRP 21 HD1 TRP 21 1.530 -1.610 17.357 172 HE1 TRP 21 HE1 TRP 21 1.804 -0.972 19.836 173 HE3 TRP 21 HE3 TRP 21 -2.890 -3.440 19.159 174 HZ2 TRP 21 HZ2 TRP 21 0.340 -1.213 22.237 175 HZ3 TRP 21 HZ3 TRP 21 -3.377 -3.196 21.558 176 HH2 TRP 21 HH2 TRP 21 -1.794 -2.106 23.064 177 HA PRO 22 HA PRO 22 0.088 1.858 15.153 178 HB2 PRO 22 2HB PRO 22 0.213 3.172 17.526 179 HB3 PRO 22 3HB PRO 22 -1.230 3.168 16.505 180 HG2 PRO 22 2HG PRO 22 -0.617 1.516 18.925 181 HG3 PRO 22 3HG PRO 22 -2.128 2.330 18.479 182 HD2 PRO 22 2HD PRO 22 -1.738 -0.323 18.104 183 HD3 PRO 22 3HD PRO 22 -2.747 0.656 17.021 184 H ALA 23 H ALA 23 2.195 1.620 14.767 185 HA ALA 23 HA ALA 23 4.022 1.283 17.023 186 HB1 ALA 23 1HB ALA 23 3.783 -0.588 14.700 187 HB2 ALA 23 2HB ALA 23 5.326 -0.372 15.528 188 HB3 ALA 23 3HB ALA 23 3.920 -0.954 16.420 189 H ARG 24 H ARG 24 6.402 1.221 15.896 190 HA ARG 24 HA ARG 24 6.462 3.475 13.999 191 HB2 ARG 24 2HB ARG 24 8.447 4.331 15.136 192 HB3 ARG 24 3HB ARG 24 7.087 4.233 16.247 193 HG2 ARG 24 2HG ARG 24 8.710 3.353 17.566 194 HG3 ARG 24 3HG ARG 24 8.154 1.875 16.779 195 HD2 ARG 24 2HD ARG 24 9.997 1.789 15.363 196 HD3 ARG 24 3HD ARG 24 10.366 3.499 15.583 197 HE ARG 24 HE ARG 24 10.623 1.911 17.974 198 HH11 ARG 24 1HH1 ARG 24 12.218 3.103 15.119 199 HH12 ARG 24 2HH1 ARG 24 13.809 2.950 15.785 200 HH21 ARG 24 1HH2 ARG 24 12.713 1.705 18.863 201 HH22 ARG 24 2HH2 ARG 24 14.090 2.154 17.915 202 H VAL 25 H VAL 25 8.630 3.657 12.884 203 HA VAL 25 HA VAL 25 9.476 0.968 12.059 204 HB VAL 25 HB VAL 25 9.835 3.616 10.647 205 HG11 VAL 25 1HG1 VAL 25 10.914 0.914 10.170 206 HG12 VAL 25 2HG1 VAL 25 10.263 1.747 8.757 207 HG13 VAL 25 3HG1 VAL 25 11.551 2.492 9.705 208 HG21 VAL 25 3HG2 VAL 25 7.678 1.671 10.697 209 HG22 VAL 25 1HG2 VAL 25 7.711 3.307 10.038 210 HG23 VAL 25 2HG2 VAL 25 8.292 1.953 9.068 211 H ASP 26 H ASP 26 11.579 0.322 12.132 212 HA ASP 26 HA ASP 26 13.426 2.096 13.573 213 HB2 ASP 26 2HB ASP 26 12.701 -0.456 14.181 214 HB3 ASP 26 3HB ASP 26 14.159 -0.742 13.235 215 H GLU 27 H GLU 27 15.839 1.329 13.037 216 HA GLU 27 HA GLU 27 16.117 1.755 10.151 217 HB2 GLU 27 2HB GLU 27 17.785 2.393 12.535 218 HB3 GLU 27 3HB GLU 27 18.615 2.091 11.015 219 HG2 GLU 27 2HG GLU 27 17.018 3.813 10.010 220 HG3 GLU 27 3HG GLU 27 16.652 4.253 11.677 221 H VAL 28 H VAL 28 18.207 0.749 9.226 222 HA VAL 28 HA VAL 28 17.922 -2.059 9.299 223 HB VAL 28 HB VAL 28 20.065 -2.063 7.962 224 HG11 VAL 28 1HG1 VAL 28 18.427 -0.106 6.543 225 HG12 VAL 28 2HG1 VAL 28 18.820 -1.775 6.124 226 HG13 VAL 28 3HG1 VAL 28 17.499 -1.433 7.242 227 HG21 VAL 28 3HG2 VAL 28 19.762 0.932 8.006 228 HG22 VAL 28 1HG2 VAL 28 20.908 0.063 9.026 229 HG23 VAL 28 2HG2 VAL 28 21.052 -0.019 7.270 230 HA PRO 29 HA PRO 29 20.554 -3.343 12.570 231 HB2 PRO 29 2HB PRO 29 21.551 -5.660 11.567 232 HB3 PRO 29 3HB PRO 29 19.878 -5.490 12.111 233 HG2 PRO 29 2HG PRO 29 20.986 -5.385 9.332 234 HG3 PRO 29 3HG PRO 29 19.523 -6.195 9.924 235 HD2 PRO 29 2HD PRO 29 19.452 -3.806 8.649 236 HD3 PRO 29 3HD PRO 29 18.291 -4.247 9.918 237 H ASP 30 H ASP 30 22.852 -4.215 12.966 238 HA ASP 30 HA ASP 30 24.711 -2.338 12.048 239 HB2 ASP 30 2HB ASP 30 25.202 -5.057 13.282 240 HB3 ASP 30 3HB ASP 30 26.414 -3.791 13.108 241 H GLY 31 H GLY 31 23.582 -5.241 10.617 242 HA2 GLY 31 2HA GLY 31 24.104 -5.344 8.178 243 HA3 GLY 31 3HA GLY 31 25.784 -5.125 8.648 244 H ALA 32 H ALA 32 25.599 -6.878 10.960 245 HA ALA 32 HA ALA 32 25.377 -9.467 9.567 246 HB1 ALA 32 1HB ALA 32 27.696 -8.445 10.398 247 HB2 ALA 32 2HB ALA 32 27.193 -9.237 11.892 248 HB3 ALA 32 3HB ALA 32 27.359 -10.177 10.409 249 H VAL 33 H VAL 33 23.509 -7.850 11.368 250 HA VAL 33 HA VAL 33 23.210 -9.682 13.625 251 HB VAL 33 HB VAL 33 21.448 -7.310 13.058 252 HG11 VAL 33 1HG1 VAL 33 20.459 -8.101 14.892 253 HG12 VAL 33 2HG1 VAL 33 21.777 -9.231 15.208 254 HG13 VAL 33 3HG1 VAL 33 21.887 -7.564 15.777 255 HG21 VAL 33 3HG2 VAL 33 22.970 -5.995 14.515 256 HG22 VAL 33 1HG2 VAL 33 24.127 -7.324 14.442 257 HG23 VAL 33 2HG2 VAL 33 23.695 -6.449 12.973 258 H LYS 34 H LYS 34 22.706 -10.755 11.055 259 HA LYS 34 HA LYS 34 21.158 -11.918 9.851 260 HB2 LYS 34 2HB LYS 34 20.056 -12.058 12.648 261 HB3 LYS 34 3HB LYS 34 19.261 -12.873 11.307 262 HG2 LYS 34 2HG LYS 34 22.149 -13.322 12.002 263 HG3 LYS 34 3HG LYS 34 20.831 -14.274 12.690 264 HD2 LYS 34 2HD LYS 34 20.957 -13.964 9.732 265 HD3 LYS 34 3HD LYS 34 22.111 -15.049 10.510 266 HE2 LYS 34 2HE LYS 34 19.974 -15.959 11.718 267 HE3 LYS 34 3HE LYS 34 19.136 -15.233 10.348 268 HZ1 LYS 34 3HZ LYS 34 20.919 -16.539 9.000 269 HZ2 LYS 34 1HZ LYS 34 19.538 -17.331 9.573 270 HZ3 LYS 34 2HZ LYS 34 21.007 -17.494 10.394 271 HA PRO 35 HA PRO 35 18.415 -8.185 9.414 272 HB2 PRO 35 2HB PRO 35 18.999 -7.765 6.796 273 HB3 PRO 35 3HB PRO 35 19.962 -7.090 8.115 274 HG2 PRO 35 2HG PRO 35 20.477 -9.521 6.446 275 HG3 PRO 35 3HG PRO 35 21.611 -8.261 6.968 276 HD2 PRO 35 2HD PRO 35 21.440 -10.668 8.197 277 HD3 PRO 35 3HD PRO 35 21.859 -9.179 9.068 278 HA PRO 36 HA PRO 36 15.066 -10.313 7.517 279 HB2 PRO 36 2HB PRO 36 13.749 -8.306 6.250 280 HB3 PRO 36 3HB PRO 36 13.756 -8.490 8.008 281 HG2 PRO 36 2HG PRO 36 15.404 -6.678 6.286 282 HG3 PRO 36 3HG PRO 36 14.592 -6.328 7.824 283 HD2 PRO 36 2HD PRO 36 17.245 -6.845 7.662 284 HD3 PRO 36 3HD PRO 36 16.269 -7.296 9.074 285 H THR 37 H THR 37 13.941 -10.710 5.408 286 HA THR 37 HA THR 37 15.900 -10.620 3.215 287 HB THR 37 HB THR 37 15.216 -12.883 3.964 288 HG1 THR 37 HG1 THR 37 14.301 -12.192 1.351 289 HG21 THR 37 3HG2 THR 37 12.492 -12.099 2.922 290 HG22 THR 37 1HG2 THR 37 12.906 -12.314 4.622 291 HG23 THR 37 2HG2 THR 37 12.967 -13.689 3.518 292 H ASN 38 H ASN 38 12.609 -9.867 4.118 293 HA ASN 38 HA ASN 38 12.352 -8.089 1.872 294 HB2 ASN 38 2HB ASN 38 10.779 -10.644 2.022 295 HB3 ASN 38 3HB ASN 38 10.092 -9.218 1.250 296 HD21 ASN 38 1HD2 ASN 38 11.963 -11.940 0.817 297 HD22 ASN 38 2HD2 ASN 38 12.661 -11.543 -0.712 298 H LYS 39 H LYS 39 12.283 -8.088 4.836 299 HA LYS 39 HA LYS 39 9.742 -6.650 5.127 300 HB2 LYS 39 2HB LYS 39 10.860 -8.619 7.133 301 HB3 LYS 39 3HB LYS 39 9.462 -7.585 7.397 302 HG2 LYS 39 2HG LYS 39 8.105 -8.840 6.076 303 HG3 LYS 39 3HG LYS 39 9.423 -9.357 5.022 304 HD2 LYS 39 2HD LYS 39 10.058 -11.067 6.430 305 HD3 LYS 39 3HD LYS 39 9.376 -10.285 7.858 306 HE2 LYS 39 2HE LYS 39 7.860 -11.979 7.509 307 HE3 LYS 39 3HE LYS 39 7.107 -10.659 6.617 308 HZ1 LYS 39 3HZ LYS 39 8.173 -13.145 5.650 309 HZ2 LYS 39 1HZ LYS 39 8.720 -11.806 4.772 310 HZ3 LYS 39 2HZ LYS 39 7.061 -12.092 4.930 311 H LEU 40 H LEU 40 9.753 -5.276 7.151 312 HA LEU 40 HA LEU 40 12.461 -4.217 7.628 313 HB2 LEU 40 2HB LEU 40 11.064 -2.049 8.111 314 HB3 LEU 40 3HB LEU 40 11.544 -2.482 6.472 315 HG LEU 40 HG LEU 40 8.877 -3.375 7.454 316 HD11 LEU 40 1HD1 LEU 40 8.229 -1.301 7.934 317 HD12 LEU 40 2HD1 LEU 40 8.384 -0.956 6.212 318 HD13 LEU 40 3HD1 LEU 40 9.723 -0.605 7.305 319 HD21 LEU 40 3HD2 LEU 40 10.145 -2.643 4.838 320 HD22 LEU 40 1HD2 LEU 40 8.391 -2.712 5.016 321 HD23 LEU 40 2HD2 LEU 40 9.365 -4.152 5.314 322 HA PRO 41 HA PRO 41 11.855 -4.647 11.952 323 HB2 PRO 41 2HB PRO 41 13.057 -2.416 12.927 324 HB3 PRO 41 3HB PRO 41 13.960 -3.769 12.235 325 HG2 PRO 41 2HG PRO 41 13.186 -1.166 10.975 326 HG3 PRO 41 3HG PRO 41 14.728 -2.037 10.887 327 HD2 PRO 41 2HD PRO 41 12.893 -2.119 8.898 328 HD3 PRO 41 3HD PRO 41 13.960 -3.488 9.270 329 H ILE 42 H ILE 42 9.979 -4.446 12.987 330 HA ILE 42 HA ILE 42 8.699 -1.792 13.079 331 HB ILE 42 HB ILE 42 7.227 -4.421 13.186 332 HG12 ILE 42 2HG1 ILE 42 8.268 -4.217 10.994 333 HG13 ILE 42 3HG1 ILE 42 6.535 -3.938 10.859 334 HG21 ILE 42 1HG2 ILE 42 5.787 -2.065 12.296 335 HG22 ILE 42 2HG2 ILE 42 5.385 -3.225 13.562 336 HG23 ILE 42 3HG2 ILE 42 6.457 -1.870 13.916 337 HD11 ILE 42 3HD1 ILE 42 7.721 -1.429 11.296 338 HD12 ILE 42 1HD1 ILE 42 8.699 -2.254 10.083 339 HD13 ILE 42 2HD1 ILE 42 6.968 -2.038 9.823 340 H PHE 43 H PHE 43 8.895 -0.977 15.053 341 HA PHE 43 HA PHE 43 9.107 -2.736 17.361 342 HB2 PHE 43 2HB PHE 43 10.638 -0.783 17.074 343 HB3 PHE 43 3HB PHE 43 9.248 0.283 17.255 344 HD1 PHE 43 HD2 PHE 43 10.559 -2.708 19.069 345 HD2 PHE 43 HD1 PHE 43 9.168 1.309 19.295 346 HE1 PHE 43 HE2 PHE 43 10.853 -2.747 21.511 347 HE2 PHE 43 HE1 PHE 43 9.461 1.276 21.738 348 HZ PHE 43 HZ PHE 43 10.304 -0.753 22.849 349 H PHE 44 H PHE 44 7.232 -3.473 18.129 350 HA PHE 44 HA PHE 44 4.771 -2.045 17.889 351 HB2 PHE 44 2HB PHE 44 5.622 -4.606 19.188 352 HB3 PHE 44 3HB PHE 44 4.047 -3.921 19.578 353 HD1 PHE 44 HD2 PHE 44 2.998 -2.917 17.142 354 HD2 PHE 44 HD1 PHE 44 5.383 -6.386 17.769 355 HE1 PHE 44 HE2 PHE 44 2.055 -3.929 15.108 356 HE2 PHE 44 HE1 PHE 44 4.444 -7.403 15.735 357 HZ PHE 44 HZ PHE 44 2.777 -6.175 14.402 358 H PHE 45 H PHE 45 4.265 -0.333 19.072 359 HA PHE 45 HA PHE 45 5.551 0.209 21.586 360 HB2 PHE 45 2HB PHE 45 3.697 1.648 19.767 361 HB3 PHE 45 3HB PHE 45 3.658 2.111 21.465 362 HD1 PHE 45 HD2 PHE 45 6.339 2.049 22.370 363 HD2 PHE 45 HD1 PHE 45 4.868 3.186 18.542 364 HE1 PHE 45 HE2 PHE 45 8.325 3.460 22.030 365 HE2 PHE 45 HE1 PHE 45 6.852 4.599 18.195 366 HZ PHE 45 HZ PHE 45 8.583 4.739 19.941 367 H GLY 46 H GLY 46 4.597 0.315 23.623 368 HA2 GLY 46 2HA GLY 46 2.855 0.066 25.187 369 HA3 GLY 46 3HA GLY 46 1.839 -0.600 23.917 370 H THR 47 H THR 47 3.711 -2.550 22.982 371 HA THR 47 HA THR 47 3.590 -4.430 25.245 372 HB THR 47 HB THR 47 3.485 -6.236 23.608 373 HG1 THR 47 HG1 THR 47 3.267 -5.647 21.362 374 HG21 THR 47 3HG2 THR 47 1.477 -4.333 24.087 375 HG22 THR 47 1HG2 THR 47 1.268 -6.001 23.557 376 HG23 THR 47 2HG2 THR 47 1.390 -4.706 22.366 377 H HIS 48 H HIS 48 5.727 -2.619 23.469 378 HA HIS 48 HA HIS 48 7.982 -2.642 23.150 379 HB2 HIS 48 2HB HIS 48 7.682 -4.313 25.635 380 HB3 HIS 48 3HB HIS 48 9.268 -3.975 24.946 381 HD1 HIS 48 HD1 HIS 48 8.009 -0.965 24.154 382 HD2 HIS 48 HD2 HIS 48 8.578 -2.737 27.868 383 HE1 HIS 48 HE1 HIS 48 8.131 0.937 25.794 384 H GLU 49 H GLU 49 6.422 -4.552 21.656 385 HA GLU 49 HA GLU 49 8.222 -6.858 21.459 386 HB2 GLU 49 2HB GLU 49 5.576 -6.420 20.068 387 HB3 GLU 49 3HB GLU 49 6.492 -7.918 20.143 388 HG2 GLU 49 2HG GLU 49 6.070 -8.149 22.475 389 HG3 GLU 49 3HG GLU 49 5.364 -6.537 22.562 390 H THR 50 H THR 50 8.466 -7.660 19.096 391 HA THR 50 HA THR 50 8.758 -5.485 17.179 392 HB THR 50 HB THR 50 10.908 -5.328 18.140 393 HG1 THR 50 HG1 THR 50 12.236 -6.417 16.429 394 HG21 THR 50 3HG2 THR 50 11.489 -7.037 19.480 395 HG22 THR 50 1HG2 THR 50 12.208 -7.731 18.028 396 HG23 THR 50 2HG2 THR 50 10.588 -8.215 18.527 397 H ALA 51 H ALA 51 8.086 -6.154 15.254 398 HA ALA 51 HA ALA 51 8.419 -8.988 14.537 399 HB1 ALA 51 1HB ALA 51 6.217 -9.141 13.673 400 HB2 ALA 51 2HB ALA 51 6.078 -8.456 15.293 401 HB3 ALA 51 3HB ALA 51 5.942 -7.411 13.879 402 H PHE 52 H PHE 52 8.891 -9.410 12.409 403 HA PHE 52 HA PHE 52 9.655 -7.082 10.812 404 HB2 PHE 52 2HB PHE 52 10.457 -9.975 10.800 405 HB3 PHE 52 3HB PHE 52 10.749 -8.967 9.386 406 HD1 PHE 52 HD1 PHE 52 11.756 -6.531 10.161 407 HD2 PHE 52 HD2 PHE 52 12.278 -10.260 12.145 408 HE1 PHE 52 HE1 PHE 52 13.829 -5.691 11.186 409 HE2 PHE 52 HE2 PHE 52 14.351 -9.426 13.175 410 HZ PHE 52 HZ PHE 52 15.129 -7.139 12.696 411 H LEU 53 H LEU 53 8.144 -6.361 9.466 412 HA LEU 53 HA LEU 53 6.734 -8.307 7.781 413 HB2 LEU 53 2HB LEU 53 5.354 -5.878 8.878 414 HB3 LEU 53 3HB LEU 53 4.642 -7.275 8.073 415 HG LEU 53 HG LEU 53 5.957 -7.461 10.773 416 HD11 LEU 53 1HD1 LEU 53 3.691 -5.968 10.241 417 HD12 LEU 53 2HD1 LEU 53 4.175 -6.622 11.806 418 HD13 LEU 53 3HD1 LEU 53 3.060 -7.525 10.780 419 HD21 LEU 53 3HD2 LEU 53 4.476 -9.267 8.974 420 HD22 LEU 53 1HD2 LEU 53 4.047 -9.356 10.683 421 HD23 LEU 53 2HD2 LEU 53 5.716 -9.624 10.178 422 H GLY 54 H GLY 54 6.413 -7.687 5.680 423 HA2 GLY 54 2HA GLY 54 8.086 -5.655 4.636 424 HA3 GLY 54 3HA GLY 54 6.879 -6.559 3.734 425 HA PRO 55 HA PRO 55 5.607 -2.060 4.214 426 HB2 PRO 55 2HB PRO 55 5.525 -1.490 1.561 427 HB3 PRO 55 3HB PRO 55 6.983 -1.296 2.540 428 HG2 PRO 55 2HG PRO 55 6.216 -3.535 0.708 429 HG3 PRO 55 3HG PRO 55 7.786 -2.733 0.898 430 HD2 PRO 55 2HD PRO 55 7.227 -5.127 2.032 431 HD3 PRO 55 3HD PRO 55 8.320 -3.947 2.783 432 H LYS 56 H LYS 56 4.632 -4.607 1.965 433 HA LYS 56 HA LYS 56 2.030 -3.568 1.470 434 HB2 LYS 56 2HB LYS 56 3.206 -6.326 1.109 435 HB3 LYS 56 3HB LYS 56 1.577 -5.893 0.606 436 HG2 LYS 56 2HG LYS 56 2.625 -4.084 -0.806 437 HG3 LYS 56 3HG LYS 56 4.182 -4.837 -0.454 438 HD2 LYS 56 2HD LYS 56 1.859 -6.343 -1.638 439 HD3 LYS 56 3HD LYS 56 3.081 -5.532 -2.620 440 HE2 LYS 56 2HE LYS 56 4.750 -6.898 -1.147 441 HE3 LYS 56 3HE LYS 56 3.345 -7.919 -0.842 442 HZ1 LYS 56 3HZ LYS 56 4.257 -8.906 -2.684 443 HZ2 LYS 56 1HZ LYS 56 4.784 -7.447 -3.361 444 HZ3 LYS 56 2HZ LYS 56 3.144 -7.861 -3.414 445 H ASP 57 H ASP 57 3.395 -5.010 4.172 446 HA ASP 57 HA ASP 57 0.862 -6.145 5.106 447 HB2 ASP 57 2HB ASP 57 3.719 -6.481 5.858 448 HB3 ASP 57 3HB ASP 57 2.525 -6.661 7.140 449 H ILE 58 H ILE 58 3.069 -3.504 5.664 450 HA ILE 58 HA ILE 58 1.586 -2.643 8.030 451 HB ILE 58 HB ILE 58 3.313 -0.854 8.178 452 HG12 ILE 58 2HG1 ILE 58 4.641 -2.373 5.925 453 HG13 ILE 58 3HG1 ILE 58 3.852 -0.810 5.747 454 HG21 ILE 58 1HG2 ILE 58 3.626 -3.673 8.590 455 HG22 ILE 58 2HG2 ILE 58 5.186 -2.944 8.211 456 HG23 ILE 58 3HG2 ILE 58 4.230 -2.330 9.560 457 HD11 ILE 58 3HD1 ILE 58 6.338 -0.736 5.939 458 HD12 ILE 58 1HD1 ILE 58 5.473 0.250 7.117 459 HD13 ILE 58 2HD1 ILE 58 6.164 -1.299 7.601 460 H PHE 59 H PHE 59 0.285 -0.885 8.094 461 HA PHE 59 HA PHE 59 -0.075 0.603 5.576 462 HB2 PHE 59 2HB PHE 59 -2.023 -0.640 7.422 463 HB3 PHE 59 3HB PHE 59 -2.450 0.961 6.828 464 HD1 PHE 59 HD2 PHE 59 -1.257 -2.348 5.600 465 HD2 PHE 59 HD1 PHE 59 -3.551 1.150 4.815 466 HE1 PHE 59 HE2 PHE 59 -2.055 -3.347 3.499 467 HE2 PHE 59 HE1 PHE 59 -4.354 0.156 2.713 468 HZ PHE 59 HZ PHE 59 -3.605 -2.095 2.052 469 HA PRO 60 HA PRO 60 0.610 4.398 7.665 470 HB2 PRO 60 2HB PRO 60 -1.260 6.033 6.569 471 HB3 PRO 60 3HB PRO 60 0.161 5.470 5.682 472 HG2 PRO 60 2HG PRO 60 -2.648 4.439 5.610 473 HG3 PRO 60 3HG PRO 60 -1.524 4.718 4.268 474 HD2 PRO 60 2HD PRO 60 -1.970 2.258 5.307 475 HD3 PRO 60 3HD PRO 60 -0.400 2.739 4.632 476 H TYR 61 H TYR 61 0.143 5.061 9.661 477 HA TYR 61 HA TYR 61 -2.130 4.210 11.074 478 HB2 TYR 61 2HB TYR 61 -1.096 5.085 12.893 479 HB3 TYR 61 3HB TYR 61 0.276 5.216 11.798 480 HD1 TYR 61 HD2 TYR 61 0.609 7.437 10.575 481 HD2 TYR 61 HD1 TYR 61 -1.993 6.993 13.912 482 HE1 TYR 61 HE2 TYR 61 0.676 9.868 10.943 483 HE2 TYR 61 HE1 TYR 61 -1.935 9.423 14.288 484 HH TYR 61 HH TYR 61 -1.486 11.498 12.845 485 H SER 62 H SER 62 -1.688 6.807 8.922 486 HA SER 62 HA SER 62 -3.529 8.670 9.981 487 HB2 SER 62 2HB SER 62 -1.764 8.970 8.098 488 HB3 SER 62 3HB SER 62 -3.030 8.361 7.032 489 HG SER 62 HG SER 62 -2.730 10.820 7.999 490 H GLU 63 H GLU 63 -3.952 5.656 8.440 491 HA GLU 63 HA GLU 63 -6.685 6.253 7.609 492 HB2 GLU 63 2HB GLU 63 -4.878 4.775 6.356 493 HB3 GLU 63 3HB GLU 63 -5.510 3.518 7.410 494 HG2 GLU 63 2HG GLU 63 -6.721 3.336 5.415 495 HG3 GLU 63 3HG GLU 63 -7.805 4.135 6.551 496 H ASN 64 H ASN 64 -4.908 4.344 9.968 497 HA ASN 64 HA ASN 64 -7.278 3.090 11.022 498 HB2 ASN 64 2HB ASN 64 -4.445 3.186 12.083 499 HB3 ASN 64 3HB ASN 64 -5.739 2.195 12.750 500 HD21 ASN 64 1HD2 ASN 64 -3.585 2.672 10.062 501 HD22 ASN 64 2HD2 ASN 64 -3.800 1.111 9.354 502 H LYS 65 H LYS 65 -4.999 5.578 12.140 503 HA LYS 65 HA LYS 65 -6.160 6.136 14.601 504 HB2 LYS 65 2HB LYS 65 -4.902 8.119 14.619 505 HB3 LYS 65 3HB LYS 65 -3.971 7.022 13.608 506 HG2 LYS 65 2HG LYS 65 -3.886 8.837 12.271 507 HG3 LYS 65 3HG LYS 65 -5.431 8.196 11.709 508 HD2 LYS 65 2HD LYS 65 -6.654 9.795 12.830 509 HD3 LYS 65 3HD LYS 65 -5.388 10.074 14.028 510 HE2 LYS 65 2HE LYS 65 -5.231 11.986 12.760 511 HE3 LYS 65 3HE LYS 65 -4.042 10.953 11.968 512 HZ1 LYS 65 3HZ LYS 65 -6.828 10.983 11.017 513 HZ2 LYS 65 1HZ LYS 65 -5.414 10.604 10.169 514 HZ3 LYS 65 2HZ LYS 65 -5.767 12.214 10.549 515 H GLU 66 H GLU 66 -7.183 7.010 11.396 516 HA GLU 66 HA GLU 66 -9.068 9.001 12.320 517 HB2 GLU 66 2HB GLU 66 -7.903 9.186 10.123 518 HB3 GLU 66 3HB GLU 66 -8.789 7.770 9.574 519 HG2 GLU 66 2HG GLU 66 -10.896 8.968 9.879 520 HG3 GLU 66 3HG GLU 66 -10.005 10.389 10.421 521 H LYS 67 H LYS 67 -9.004 5.620 11.844 522 HA LYS 67 HA LYS 67 -11.807 5.262 11.358 523 HB2 LYS 67 2HB LYS 67 -9.579 3.383 12.124 524 HB3 LYS 67 3HB LYS 67 -11.246 2.844 11.968 525 HG2 LYS 67 2HG LYS 67 -10.130 4.358 9.691 526 HG3 LYS 67 3HG LYS 67 -9.480 2.741 9.970 527 HD2 LYS 67 2HD LYS 67 -12.438 3.251 9.896 528 HD3 LYS 67 3HD LYS 67 -11.513 2.978 8.417 529 HE2 LYS 67 2HE LYS 67 -10.657 0.859 9.523 530 HE3 LYS 67 3HE LYS 67 -11.905 1.110 10.743 531 HZ1 LYS 67 3HZ LYS 67 -13.592 0.919 9.101 532 HZ2 LYS 67 1HZ LYS 67 -12.550 -0.397 8.893 533 HZ3 LYS 67 2HZ LYS 67 -12.468 0.921 7.837 534 H TYR 68 H TYR 68 -9.741 4.450 14.154 535 HA TYR 68 HA TYR 68 -12.043 5.014 15.898 536 HB2 TYR 68 2HB TYR 68 -10.193 2.944 16.871 537 HB3 TYR 68 3HB TYR 68 -11.952 3.001 16.924 538 HD1 TYR 68 HD1 TYR 68 -13.272 2.242 14.965 539 HD2 TYR 68 HD2 TYR 68 -9.045 1.782 15.132 540 HE1 TYR 68 HE1 TYR 68 -13.385 0.593 13.143 541 HE2 TYR 68 HE2 TYR 68 -9.147 0.133 13.310 542 HH TYR 68 HH TYR 68 -10.537 -1.197 12.106 543 H GLY 69 H GLY 69 -8.653 5.224 15.287 544 HA2 GLY 69 2HA GLY 69 -7.090 6.647 16.219 545 HA3 GLY 69 3HA GLY 69 -8.345 7.259 17.285 546 H LYS 70 H LYS 70 -8.768 4.245 17.955 547 HA LYS 70 HA LYS 70 -6.397 3.710 19.546 548 HB2 LYS 70 2HB LYS 70 -7.873 3.407 21.610 549 HB3 LYS 70 3HB LYS 70 -7.489 5.057 21.138 550 HG2 LYS 70 2HG LYS 70 -9.762 5.090 21.678 551 HG3 LYS 70 3HG LYS 70 -9.716 5.062 19.914 552 HD2 LYS 70 2HD LYS 70 -10.530 2.929 19.791 553 HD3 LYS 70 3HD LYS 70 -9.841 2.460 21.347 554 HE2 LYS 70 2HE LYS 70 -12.223 4.268 20.947 555 HE3 LYS 70 3HE LYS 70 -12.291 2.572 21.422 556 HZ1 LYS 70 3HZ LYS 70 -12.299 3.422 23.480 557 HZ2 LYS 70 1HZ LYS 70 -11.645 4.907 23.001 558 HZ3 LYS 70 2HZ LYS 70 -10.629 3.581 23.261 559 HA PRO 71 HA PRO 71 -7.465 -0.486 18.833 560 HB2 PRO 71 2HB PRO 71 -6.554 -1.687 21.091 561 HB3 PRO 71 3HB PRO 71 -5.479 -1.053 19.839 562 HG2 PRO 71 2HG PRO 71 -6.294 0.183 22.441 563 HG3 PRO 71 3HG PRO 71 -4.691 0.122 21.685 564 HD2 PRO 71 2HD PRO 71 -6.272 2.318 21.574 565 HD3 PRO 71 3HD PRO 71 -5.156 1.878 20.265 566 H ASN 72 H ASN 72 -9.112 -1.917 19.148 567 HA ASN 72 HA ASN 72 -11.075 -1.210 21.204 568 HB2 ASN 72 2HB ASN 72 -11.586 -1.478 18.655 569 HB3 ASN 72 3HB ASN 72 -11.579 -3.202 19.016 570 HD21 ASN 72 1HD2 ASN 72 -12.841 -0.246 20.530 571 HD22 ASN 72 2HD2 ASN 72 -14.429 -0.868 20.811 572 H LYS 73 H LYS 73 -9.748 -4.180 19.734 573 HA LYS 73 HA LYS 73 -10.021 -5.480 22.366 574 HB2 LYS 73 2HB LYS 73 -10.451 -6.590 19.598 575 HB3 LYS 73 3HB LYS 73 -10.183 -7.630 20.990 576 HG2 LYS 73 2HG LYS 73 -12.185 -6.951 22.017 577 HG3 LYS 73 3HG LYS 73 -12.367 -5.572 20.930 578 HD2 LYS 73 2HD LYS 73 -13.854 -7.026 19.976 579 HD3 LYS 73 3HD LYS 73 -12.391 -7.469 19.093 580 HE2 LYS 73 2HE LYS 73 -12.959 -8.871 21.651 581 HE3 LYS 73 3HE LYS 73 -13.943 -9.283 20.247 582 HZ1 LYS 73 3HZ LYS 73 -12.296 -10.536 19.504 583 HZ2 LYS 73 1HZ LYS 73 -11.356 -10.148 20.856 584 HZ3 LYS 73 2HZ LYS 73 -11.257 -9.202 19.458 585 H ARG 74 H ARG 74 -7.735 -4.005 21.441 586 HA ARG 74 HA ARG 74 -5.773 -6.173 21.084 587 HB2 ARG 74 2HB ARG 74 -5.530 -3.236 20.404 588 HB3 ARG 74 3HB ARG 74 -4.250 -4.427 20.212 589 HG2 ARG 74 2HG ARG 74 -5.086 -4.320 18.084 590 HG3 ARG 74 3HG ARG 74 -6.017 -5.666 18.745 591 HD2 ARG 74 2HD ARG 74 -7.910 -4.581 18.340 592 HD3 ARG 74 3HD ARG 74 -7.375 -3.239 19.350 593 HE ARG 74 HE ARG 74 -6.100 -2.745 17.045 594 HH11 ARG 74 1HH1 ARG 74 -9.418 -3.534 17.744 595 HH12 ARG 74 2HH1 ARG 74 -10.049 -2.646 16.397 596 HH21 ARG 74 1HH2 ARG 74 -6.919 -1.573 15.267 597 HH22 ARG 74 2HH2 ARG 74 -8.627 -1.532 14.988 598 H LYS 75 H LYS 75 -4.971 -6.737 23.002 599 HA LYS 75 HA LYS 75 -4.986 -5.294 25.350 600 HB2 LYS 75 2HB LYS 75 -3.187 -6.813 26.118 601 HB3 LYS 75 3HB LYS 75 -4.501 -7.666 25.320 602 HG2 LYS 75 2HG LYS 75 -3.059 -7.549 23.215 603 HG3 LYS 75 3HG LYS 75 -1.739 -7.109 24.301 604 HD2 LYS 75 2HD LYS 75 -1.536 -9.421 24.124 605 HD3 LYS 75 3HD LYS 75 -2.431 -9.209 25.631 606 HE2 LYS 75 2HE LYS 75 -3.476 -10.964 24.387 607 HE3 LYS 75 3HE LYS 75 -4.538 -9.557 24.343 608 HZ1 LYS 75 3HZ LYS 75 -2.661 -9.692 22.158 609 HZ2 LYS 75 1HZ LYS 75 -4.322 -9.370 22.141 610 HZ3 LYS 75 2HZ LYS 75 -3.770 -10.968 22.187 611 H GLY 76 H GLY 76 -3.427 -4.081 26.486 612 HA2 GLY 76 2HA GLY 76 -1.404 -2.888 26.710 613 HA3 GLY 76 3HA GLY 76 -1.075 -3.172 25.007 614 H PHE 77 H PHE 77 -4.249 -2.170 25.478 615 HA PHE 77 HA PHE 77 -3.915 0.224 24.051 616 HB2 PHE 77 2HB PHE 77 -6.264 0.696 24.697 617 HB3 PHE 77 3HB PHE 77 -6.047 -0.937 24.077 618 HD1 PHE 77 HD2 PHE 77 -6.641 1.077 27.091 619 HD2 PHE 77 HD1 PHE 77 -6.411 -2.846 25.456 620 HE1 PHE 77 HE2 PHE 77 -7.681 0.171 29.128 621 HE2 PHE 77 HE1 PHE 77 -7.451 -3.759 27.490 622 HZ PHE 77 HZ PHE 77 -8.086 -2.250 29.330 623 H ASN 78 H ASN 78 -4.139 2.403 24.714 624 HA ASN 78 HA ASN 78 -3.653 4.214 26.001 625 HB2 ASN 78 2HB ASN 78 -4.989 2.369 27.943 626 HB3 ASN 78 3HB ASN 78 -4.246 3.849 28.543 627 HD21 ASN 78 1HD2 ASN 78 -4.788 5.748 26.863 628 HD22 ASN 78 2HD2 ASN 78 -6.483 5.936 26.591 629 H GLU 79 H GLU 79 -1.616 2.162 25.533 630 HA GLU 79 HA GLU 79 0.130 2.755 27.831 631 HB2 GLU 79 2HB GLU 79 0.266 0.272 26.116 632 HB3 GLU 79 3HB GLU 79 1.224 0.621 27.549 633 HG2 GLU 79 2HG GLU 79 -1.613 0.755 28.095 634 HG3 GLU 79 3HG GLU 79 -1.137 -0.811 27.440 635 H GLY 80 H GLY 80 0.045 4.564 25.841 636 HA2 GLY 80 2HA GLY 80 2.096 5.621 24.997 637 HA3 GLY 80 3HA GLY 80 2.553 4.045 24.366 638 H LEU 81 H LEU 81 -0.758 4.843 24.070 639 HA LEU 81 HA LEU 81 -0.606 4.794 21.217 640 HB2 LEU 81 2HB LEU 81 -2.517 3.836 22.278 641 HB3 LEU 81 3HB LEU 81 -2.863 5.337 23.133 642 HG LEU 81 HG LEU 81 -3.041 6.165 20.556 643 HD11 LEU 81 1HD1 LEU 81 -4.528 4.374 19.502 644 HD12 LEU 81 2HD1 LEU 81 -3.779 3.258 20.644 645 HD13 LEU 81 3HD1 LEU 81 -2.784 4.114 19.466 646 HD21 LEU 81 3HD2 LEU 81 -4.636 6.526 22.417 647 HD22 LEU 81 1HD2 LEU 81 -5.282 4.910 22.135 648 HD23 LEU 81 2HD2 LEU 81 -5.426 6.146 20.885 649 H TRP 82 H TRP 82 -0.888 7.289 23.654 650 HA TRP 82 HA TRP 82 -1.449 9.366 21.722 651 HB2 TRP 82 2HB TRP 82 -2.439 9.655 23.878 652 HB3 TRP 82 3HB TRP 82 -0.896 9.409 24.690 653 HD1 TRP 82 HD1 TRP 82 -2.898 12.055 22.799 654 HE1 TRP 82 HE1 TRP 82 -1.791 14.349 23.167 655 HE3 TRP 82 HE3 TRP 82 1.358 10.529 25.185 656 HZ2 TRP 82 HZ2 TRP 82 0.574 15.376 24.317 657 HZ3 TRP 82 HZ3 TRP 82 2.992 12.230 25.885 658 HH2 TRP 82 HH2 TRP 82 2.606 14.603 25.459 659 H GLU 83 H GLU 83 1.302 7.779 22.884 660 HA GLU 83 HA GLU 83 3.118 10.005 22.581 661 HB2 GLU 83 2HB GLU 83 3.464 7.082 23.192 662 HB3 GLU 83 3HB GLU 83 4.848 8.103 22.826 663 HG2 GLU 83 2HG GLU 83 4.480 9.453 24.724 664 HG3 GLU 83 3HG GLU 83 2.880 8.765 24.993 665 H ILE 84 H ILE 84 1.764 7.561 20.591 666 HA ILE 84 HA ILE 84 3.780 7.267 18.660 667 HB ILE 84 HB ILE 84 1.693 5.860 18.882 668 HG12 ILE 84 2HG1 ILE 84 2.378 6.958 16.146 669 HG13 ILE 84 3HG1 ILE 84 3.211 5.646 16.972 670 HG21 ILE 84 1HG2 ILE 84 -0.359 6.598 18.286 671 HG22 ILE 84 2HG2 ILE 84 0.332 8.162 18.715 672 HG23 ILE 84 3HG2 ILE 84 0.269 7.661 17.026 673 HD11 ILE 84 3HD1 ILE 84 1.801 4.185 16.110 674 HD12 ILE 84 1HD1 ILE 84 0.435 5.031 16.837 675 HD13 ILE 84 2HD1 ILE 84 1.007 5.493 15.233 676 H ASP 85 H ASP 85 1.527 9.824 19.263 677 HA ASP 85 HA ASP 85 2.367 11.150 16.769 678 HB2 ASP 85 2HB ASP 85 -0.154 10.605 17.292 679 HB3 ASP 85 3HB ASP 85 -0.040 12.039 18.309 680 H ASN 86 H ASN 86 3.195 11.053 19.854 681 HA ASN 86 HA ASN 86 3.786 13.933 19.957 682 HB2 ASN 86 2HB ASN 86 2.726 12.163 22.150 683 HB3 ASN 86 3HB ASN 86 3.631 13.629 22.518 684 HD21 ASN 86 1HD2 ASN 86 0.772 12.371 20.920 685 HD22 ASN 86 2HD2 ASN 86 -0.148 13.831 21.009 686 H ASN 87 H ASN 87 4.600 11.034 21.870 687 HA ASN 87 HA ASN 87 7.441 11.742 21.544 688 HB2 ASN 87 2HB ASN 87 6.477 11.810 23.880 689 HB3 ASN 87 3HB ASN 87 6.250 10.068 23.760 690 HD21 ASN 87 1HD2 ASN 87 7.910 11.622 25.583 691 HD22 ASN 87 2HD2 ASN 87 9.523 11.040 25.374 692 HA PRO 88 HA PRO 88 6.792 7.748 19.279 693 HB2 PRO 88 2HB PRO 88 8.342 8.436 17.159 694 HB3 PRO 88 3HB PRO 88 6.626 8.845 17.267 695 HG2 PRO 88 2HG PRO 88 9.019 10.547 17.848 696 HG3 PRO 88 3HG PRO 88 7.531 10.968 16.980 697 HD2 PRO 88 2HD PRO 88 7.959 11.667 19.560 698 HD3 PRO 88 3HD PRO 88 6.342 11.304 18.925 699 H LYS 89 H LYS 89 9.360 9.461 20.670 700 HA LYS 89 HA LYS 89 11.233 7.237 20.211 701 HB2 LYS 89 2HB LYS 89 11.722 10.111 20.997 702 HB3 LYS 89 3HB LYS 89 12.973 8.876 21.022 703 HG2 LYS 89 2HG LYS 89 11.412 9.353 18.524 704 HG3 LYS 89 3HG LYS 89 12.731 10.440 18.965 705 HD2 LYS 89 2HD LYS 89 14.308 8.647 18.952 706 HD3 LYS 89 3HD LYS 89 13.025 7.445 18.788 707 HE2 LYS 89 2HE LYS 89 12.671 7.933 16.566 708 HE3 LYS 89 3HE LYS 89 13.294 9.575 16.718 709 HZ1 LYS 89 3HZ LYS 89 14.824 7.049 16.545 710 HZ2 LYS 89 1HZ LYS 89 15.528 8.483 17.103 711 HZ3 LYS 89 2HZ LYS 89 14.911 8.400 15.530 712 H VAL 90 H VAL 90 8.986 7.441 22.191 713 HA VAL 90 HA VAL 90 9.904 7.874 24.783 714 HB VAL 90 HB VAL 90 7.526 7.508 24.182 715 HG11 VAL 90 1HG1 VAL 90 6.753 5.623 23.265 716 HG12 VAL 90 2HG1 VAL 90 8.444 5.220 22.958 717 HG13 VAL 90 3HG1 VAL 90 7.638 4.607 24.403 718 HG21 VAL 90 3HG2 VAL 90 6.993 6.844 26.285 719 HG22 VAL 90 1HG2 VAL 90 8.047 5.431 26.224 720 HG23 VAL 90 2HG2 VAL 90 8.730 7.029 26.522 721 H LYS 91 H LYS 91 10.510 5.256 22.606 722 HA LYS 91 HA LYS 91 11.122 3.159 24.290 723 HB2 LYS 91 2HB LYS 91 12.680 2.396 22.524 724 HB3 LYS 91 3HB LYS 91 11.122 2.898 21.882 725 HG2 LYS 91 2HG LYS 91 12.396 3.994 20.394 726 HG3 LYS 91 3HG LYS 91 12.477 5.211 21.670 727 HD2 LYS 91 2HD LYS 91 14.518 3.668 22.435 728 HD3 LYS 91 3HD LYS 91 14.545 3.318 20.705 729 HE2 LYS 91 2HE LYS 91 14.376 5.928 20.497 730 HE3 LYS 91 3HE LYS 91 15.025 5.892 22.136 731 HZ1 LYS 91 3HZ LYS 91 16.831 4.435 21.221 732 HZ2 LYS 91 1HZ LYS 91 16.856 6.039 20.683 733 HZ3 LYS 91 2HZ LYS 91 16.269 4.817 19.672 734 H PHE 92 H PHE 92 12.927 6.077 23.666 735 HA PHE 92 HA PHE 92 15.450 5.349 24.569 736 HB2 PHE 92 2HB PHE 92 14.498 7.611 23.582 737 HB3 PHE 92 3HB PHE 92 14.371 8.042 25.284 738 HD1 PHE 92 HD1 PHE 92 16.463 7.891 26.712 739 HD2 PHE 92 HD2 PHE 92 16.532 7.764 22.458 740 HE1 PHE 92 HE1 PHE 92 18.847 8.503 26.735 741 HE2 PHE 92 HE2 PHE 92 18.916 8.374 22.475 742 HZ PHE 92 HZ PHE 92 20.076 8.744 24.615 743 H SER 93 H SER 93 16.299 4.882 26.498 744 HA SER 93 HA SER 93 16.414 4.352 28.710 745 HB2 SER 93 2HB SER 93 16.130 6.131 30.190 746 HB3 SER 93 3HB SER 93 16.337 6.962 28.648 747 HG SER 93 HG SER 93 14.550 7.774 29.818 Start of MODEL 9 1 H MET 1 H MET 1 2.755 2.513 -0.308 2 HA MET 1 HA MET 1 0.995 0.260 0.371 3 HB2 MET 1 2HB MET 1 1.654 1.510 -2.300 4 HB3 MET 1 3HB MET 1 0.646 0.084 -2.094 5 HG2 MET 1 2HG MET 1 -0.941 1.395 -0.780 6 HG3 MET 1 3HG MET 1 0.068 2.824 -0.992 7 HE1 MET 1 3HE MET 1 -1.048 4.515 -2.233 8 HE2 MET 1 1HE MET 1 0.282 4.170 -3.340 9 HE3 MET 1 2HE MET 1 -1.348 4.414 -3.969 10 H THR 2 H THR 2 3.444 0.704 -2.167 11 HA THR 2 HA THR 2 4.620 -1.872 -1.349 12 HB THR 2 HB THR 2 4.945 -0.694 -4.096 13 HG1 THR 2 HG1 THR 2 3.139 -2.230 -4.589 14 HG21 THR 2 3HG2 THR 2 6.052 -2.584 -4.509 15 HG22 THR 2 1HG2 THR 2 4.710 -3.558 -3.910 16 HG23 THR 2 2HG2 THR 2 5.941 -2.969 -2.792 17 H ARG 3 H ARG 3 5.178 1.469 -1.752 18 HA ARG 3 HA ARG 3 7.962 1.440 -2.264 19 HB2 ARG 3 2HB ARG 3 6.494 3.599 -0.758 20 HB3 ARG 3 3HB ARG 3 7.934 3.760 -1.754 21 HG2 ARG 3 2HG ARG 3 5.141 3.164 -2.705 22 HG3 ARG 3 3HG ARG 3 6.042 4.666 -2.922 23 HD2 ARG 3 2HD ARG 3 6.634 1.972 -4.131 24 HD3 ARG 3 3HD ARG 3 6.150 3.445 -4.971 25 HE ARG 3 HE ARG 3 8.792 2.742 -4.087 26 HH11 ARG 3 1HH1 ARG 3 6.652 5.360 -4.912 27 HH12 ARG 3 2HH1 ARG 3 7.934 6.455 -5.311 28 HH21 ARG 3 1HH2 ARG 3 10.489 4.174 -4.608 29 HH22 ARG 3 2HH2 ARG 3 10.116 5.779 -5.139 30 H ASP 4 H ASP 4 9.470 2.571 -0.576 31 HA ASP 4 HA ASP 4 9.393 0.890 1.810 32 HB2 ASP 4 2HB ASP 4 11.719 1.389 2.073 33 HB3 ASP 4 3HB ASP 4 11.452 1.040 0.368 34 H PHE 5 H PHE 5 9.764 1.752 3.917 35 HA PHE 5 HA PHE 5 8.700 4.474 4.213 36 HB2 PHE 5 2HB PHE 5 8.574 2.009 5.899 37 HB3 PHE 5 3HB PHE 5 8.469 3.580 6.687 38 HD1 PHE 5 HD2 PHE 5 6.634 5.147 6.045 39 HD2 PHE 5 HD1 PHE 5 6.745 1.099 4.735 40 HE1 PHE 5 HE2 PHE 5 4.237 5.261 5.499 41 HE2 PHE 5 HE1 PHE 5 4.349 1.207 4.186 42 HZ PHE 5 HZ PHE 5 3.092 3.289 4.569 43 H LYS 6 H LYS 6 9.477 5.507 6.381 44 HA LYS 6 HA LYS 6 12.415 5.288 6.451 45 HB2 LYS 6 2HB LYS 6 10.573 7.625 6.491 46 HB3 LYS 6 3HB LYS 6 12.044 7.735 7.449 47 HG2 LYS 6 2HG LYS 6 12.665 8.665 5.427 48 HG3 LYS 6 3HG LYS 6 13.241 7.002 5.287 49 HD2 LYS 6 2HD LYS 6 12.192 7.338 3.249 50 HD3 LYS 6 3HD LYS 6 10.925 6.561 4.200 51 HE2 LYS 6 2HE LYS 6 9.961 8.416 3.030 52 HE3 LYS 6 3HE LYS 6 10.036 8.820 4.744 53 HZ1 LYS 6 3HZ LYS 6 11.002 10.331 2.682 54 HZ2 LYS 6 1HZ LYS 6 12.390 9.634 3.353 55 HZ3 LYS 6 2HZ LYS 6 11.348 10.544 4.324 56 HA PRO 7 HA PRO 7 12.350 4.409 10.749 57 HB2 PRO 7 2HB PRO 7 14.460 5.845 11.674 58 HB3 PRO 7 3HB PRO 7 14.646 4.391 10.686 59 HG2 PRO 7 2HG PRO 7 14.777 7.268 9.868 60 HG3 PRO 7 3HG PRO 7 15.823 5.919 9.386 61 HD2 PRO 7 2HD PRO 7 13.829 6.852 7.809 62 HD3 PRO 7 3HD PRO 7 14.316 5.145 7.823 63 H GLY 8 H GLY 8 10.788 5.127 12.059 64 HA2 GLY 8 2HA GLY 8 10.117 6.588 13.823 65 HA3 GLY 8 3HA GLY 8 10.933 7.908 12.997 66 H ASP 9 H ASP 9 9.015 5.835 11.049 67 HA ASP 9 HA ASP 9 7.092 8.003 10.670 68 HB2 ASP 9 2HB ASP 9 8.097 5.761 9.023 69 HB3 ASP 9 3HB ASP 9 6.395 6.162 8.809 70 H LEU 10 H LEU 10 5.014 7.892 11.275 71 HA LEU 10 HA LEU 10 4.170 5.754 12.980 72 HB2 LEU 10 2HB LEU 10 2.836 8.232 11.933 73 HB3 LEU 10 3HB LEU 10 1.968 7.049 12.909 74 HG LEU 10 HG LEU 10 3.728 7.429 14.692 75 HD11 LEU 10 1HD1 LEU 10 4.870 9.642 14.550 76 HD12 LEU 10 2HD1 LEU 10 4.391 9.721 12.855 77 HD13 LEU 10 3HD1 LEU 10 5.467 8.438 13.407 78 HD21 LEU 10 3HD2 LEU 10 2.707 9.903 15.018 79 HD22 LEU 10 1HD2 LEU 10 1.822 8.419 15.374 80 HD23 LEU 10 2HD2 LEU 10 1.573 9.246 13.836 81 H ILE 11 H ILE 11 3.433 3.874 12.271 82 HA ILE 11 HA ILE 11 1.446 3.802 10.154 83 HB ILE 11 HB ILE 11 2.609 2.012 8.911 84 HG12 ILE 11 2HG1 ILE 11 5.238 2.162 9.399 85 HG13 ILE 11 3HG1 ILE 11 4.648 2.506 11.021 86 HG21 ILE 11 1HG2 ILE 11 3.867 3.445 7.589 87 HG22 ILE 11 2HG2 ILE 11 2.764 4.541 8.419 88 HG23 ILE 11 3HG2 ILE 11 4.432 4.385 8.970 89 HD11 ILE 11 3HD1 ILE 11 4.793 0.001 9.599 90 HD12 ILE 11 1HD1 ILE 11 4.542 0.314 11.316 91 HD13 ILE 11 2HD1 ILE 11 3.168 0.313 10.210 92 H PHE 12 H PHE 12 0.029 2.126 10.350 93 HA PHE 12 HA PHE 12 0.117 0.639 12.817 94 HB2 PHE 12 2HB PHE 12 -1.882 1.121 10.671 95 HB3 PHE 12 3HB PHE 12 -2.055 -0.361 11.605 96 HD1 PHE 12 HD2 PHE 12 -1.128 3.155 12.451 97 HD2 PHE 12 HD1 PHE 12 -3.685 -0.164 13.198 98 HE1 PHE 12 HE2 PHE 12 -2.240 4.421 14.243 99 HE2 PHE 12 HE1 PHE 12 -4.803 1.097 14.991 100 HZ PHE 12 HZ PHE 12 -4.080 3.392 15.517 101 H ALA 13 H ALA 13 1.231 -1.180 13.002 102 HA ALA 13 HA ALA 13 1.998 -2.731 10.701 103 HB1 ALA 13 1HB ALA 13 2.996 -2.361 13.290 104 HB2 ALA 13 2HB ALA 13 2.534 -4.061 13.190 105 HB3 ALA 13 3HB ALA 13 3.663 -3.383 12.016 106 H LYS 14 H LYS 14 1.149 -4.604 9.989 107 HA LYS 14 HA LYS 14 -1.181 -5.662 11.445 108 HB2 LYS 14 2HB LYS 14 -1.725 -4.792 9.230 109 HB3 LYS 14 3HB LYS 14 -0.498 -5.821 8.504 110 HG2 LYS 14 2HG LYS 14 -2.310 -7.109 8.090 111 HG3 LYS 14 3HG LYS 14 -1.929 -7.711 9.705 112 HD2 LYS 14 2HD LYS 14 -3.549 -6.124 10.659 113 HD3 LYS 14 3HD LYS 14 -3.947 -5.568 9.031 114 HE2 LYS 14 2HE LYS 14 -4.342 -8.347 10.134 115 HE3 LYS 14 3HE LYS 14 -5.603 -7.162 9.797 116 HZ1 LYS 14 3HZ LYS 14 -5.726 -8.216 7.842 117 HZ2 LYS 14 1HZ LYS 14 -4.195 -8.920 7.990 118 HZ3 LYS 14 2HZ LYS 14 -4.345 -7.331 7.431 119 H MET 15 H MET 15 -0.524 -7.329 12.661 120 HA MET 15 HA MET 15 1.561 -9.119 11.750 121 HB2 MET 15 2HB MET 15 0.090 -8.656 14.285 122 HB3 MET 15 3HB MET 15 0.697 -10.284 14.011 123 HG2 MET 15 2HG MET 15 2.945 -9.457 13.776 124 HG3 MET 15 3HG MET 15 2.378 -7.793 13.894 125 HE1 MET 15 3HE MET 15 4.077 -10.481 16.492 126 HE2 MET 15 1HE MET 15 2.485 -11.030 17.017 127 HE3 MET 15 2HE MET 15 2.916 -11.083 15.308 128 H LYS 16 H LYS 16 1.313 -11.172 11.027 129 HA LYS 16 HA LYS 16 -0.997 -11.970 9.741 130 HB2 LYS 16 2HB LYS 16 1.484 -13.341 10.626 131 HB3 LYS 16 3HB LYS 16 0.127 -14.366 10.180 132 HG2 LYS 16 2HG LYS 16 1.000 -12.173 8.352 133 HG3 LYS 16 3HG LYS 16 1.886 -13.699 8.397 134 HD2 LYS 16 2HD LYS 16 0.039 -14.927 7.655 135 HD3 LYS 16 3HD LYS 16 -1.097 -13.641 8.073 136 HE2 LYS 16 2HE LYS 16 1.018 -13.218 5.991 137 HE3 LYS 16 3HE LYS 16 -0.499 -14.022 5.589 138 HZ1 LYS 16 3HZ LYS 16 -0.152 -11.389 5.470 139 HZ2 LYS 16 1HZ LYS 16 -0.743 -11.526 7.050 140 HZ3 LYS 16 2HZ LYS 16 -1.654 -12.116 5.753 141 H GLY 17 H GLY 17 -2.934 -12.265 10.637 142 HA2 GLY 17 2HA GLY 17 -4.501 -13.541 11.829 143 HA3 GLY 17 3HA GLY 17 -3.192 -14.209 12.792 144 H TYR 18 H TYR 18 -3.363 -10.783 12.346 145 HA TYR 18 HA TYR 18 -4.777 -10.371 14.856 146 HB2 TYR 18 2HB TYR 18 -1.988 -9.274 14.474 147 HB3 TYR 18 3HB TYR 18 -3.002 -9.126 15.905 148 HD1 TYR 18 HD2 TYR 18 -0.969 -11.453 13.896 149 HD2 TYR 18 HD1 TYR 18 -3.138 -10.891 17.513 150 HE1 TYR 18 HE2 TYR 18 0.029 -13.508 14.807 151 HE2 TYR 18 HE1 TYR 18 -2.145 -12.944 18.434 152 HH TYR 18 HH TYR 18 -0.125 -14.331 18.080 153 HA PRO 19 HA PRO 19 -6.229 -6.760 12.822 154 HB2 PRO 19 2HB PRO 19 -6.758 -5.162 14.952 155 HB3 PRO 19 3HB PRO 19 -7.749 -6.565 14.533 156 HG2 PRO 19 2HG PRO 19 -5.594 -6.316 16.596 157 HG3 PRO 19 3HG PRO 19 -7.173 -7.113 16.718 158 HD2 PRO 19 2HD PRO 19 -4.879 -8.485 16.287 159 HD3 PRO 19 3HD PRO 19 -6.443 -9.008 15.628 160 H HIS 20 H HIS 20 -5.926 -4.306 12.826 161 HA HIS 20 HA HIS 20 -3.162 -3.740 12.484 162 HB2 HIS 20 2HB HIS 20 -5.303 -1.633 12.645 163 HB3 HIS 20 3HB HIS 20 -3.836 -1.639 11.670 164 HD1 HIS 20 HD1 HIS 20 -3.854 -3.448 9.645 165 HD2 HIS 20 HD2 HIS 20 -7.526 -2.499 11.341 166 HE1 HIS 20 HE1 HIS 20 -5.579 -4.198 7.976 167 H TRP 21 H TRP 21 -1.800 -2.405 13.656 168 HA TRP 21 HA TRP 21 -2.742 -1.266 16.163 169 HB2 TRP 21 2HB TRP 21 -2.132 -3.495 16.868 170 HB3 TRP 21 3HB TRP 21 -0.588 -3.384 16.026 171 HD1 TRP 21 HD1 TRP 21 1.286 -1.751 17.131 172 HE1 TRP 21 HE1 TRP 21 1.634 -1.018 19.573 173 HE3 TRP 21 HE3 TRP 21 -3.324 -2.932 18.999 174 HZ2 TRP 21 HZ2 TRP 21 0.151 -0.949 21.974 175 HZ3 TRP 21 HZ3 TRP 21 -3.778 -2.501 21.378 176 HH2 TRP 21 HH2 TRP 21 -2.075 -1.531 22.834 177 HA PRO 22 HA PRO 22 0.104 1.870 14.927 178 HB2 PRO 22 2HB PRO 22 0.225 3.230 17.274 179 HB3 PRO 22 3HB PRO 22 -1.171 3.302 16.193 180 HG2 PRO 22 2HG PRO 22 -0.778 1.671 18.672 181 HG3 PRO 22 3HG PRO 22 -2.207 2.579 18.145 182 HD2 PRO 22 2HD PRO 22 -1.993 -0.103 17.844 183 HD3 PRO 22 3HD PRO 22 -2.884 0.918 16.698 184 H ALA 23 H ALA 23 2.199 1.460 14.633 185 HA ALA 23 HA ALA 23 3.866 0.906 16.989 186 HB1 ALA 23 1HB ALA 23 3.778 -0.643 14.422 187 HB2 ALA 23 2HB ALA 23 5.216 -0.629 15.444 188 HB3 ALA 23 3HB ALA 23 3.688 -1.238 16.080 189 H ARG 24 H ARG 24 6.319 0.863 16.001 190 HA ARG 24 HA ARG 24 6.592 3.326 14.408 191 HB2 ARG 24 2HB ARG 24 7.117 3.948 16.650 192 HB3 ARG 24 3HB ARG 24 8.096 2.506 16.890 193 HG2 ARG 24 2HG ARG 24 8.944 4.303 14.711 194 HG3 ARG 24 3HG ARG 24 9.117 4.923 16.355 195 HD2 ARG 24 2HD ARG 24 10.210 2.623 16.839 196 HD3 ARG 24 3HD ARG 24 10.395 2.530 15.088 197 HE ARG 24 HE ARG 24 11.406 4.980 15.785 198 HH11 ARG 24 1HH1 ARG 24 12.058 1.672 16.652 199 HH12 ARG 24 2HH1 ARG 24 13.740 1.949 16.964 200 HH21 ARG 24 1HH2 ARG 24 13.619 5.357 16.192 201 HH22 ARG 24 2HH2 ARG 24 14.626 4.045 16.702 202 H VAL 25 H VAL 25 8.239 3.389 12.913 203 HA VAL 25 HA VAL 25 9.310 0.813 12.127 204 HB VAL 25 HB VAL 25 9.612 3.517 10.812 205 HG11 VAL 25 1HG1 VAL 25 10.663 0.827 10.193 206 HG12 VAL 25 2HG1 VAL 25 10.003 1.744 8.836 207 HG13 VAL 25 3HG1 VAL 25 11.314 2.419 9.804 208 HG21 VAL 25 3HG2 VAL 25 7.393 1.747 10.953 209 HG22 VAL 25 1HG2 VAL 25 7.550 3.246 10.037 210 HG23 VAL 25 2HG2 VAL 25 8.021 1.713 9.305 211 H ASP 26 H ASP 26 11.364 0.146 12.342 212 HA ASP 26 HA ASP 26 13.238 1.963 13.688 213 HB2 ASP 26 2HB ASP 26 12.505 -0.499 14.468 214 HB3 ASP 26 3HB ASP 26 13.861 -0.930 13.429 215 H GLU 27 H GLU 27 15.589 1.583 13.135 216 HA GLU 27 HA GLU 27 15.855 1.684 10.235 217 HB2 GLU 27 2HB GLU 27 18.061 2.617 10.648 218 HB3 GLU 27 3HB GLU 27 16.856 3.476 11.597 219 HG2 GLU 27 2HG GLU 27 17.524 2.363 13.594 220 HG3 GLU 27 3HG GLU 27 18.573 1.267 12.696 221 H VAL 28 H VAL 28 18.028 0.756 9.398 222 HA VAL 28 HA VAL 28 17.915 -2.038 9.595 223 HB VAL 28 HB VAL 28 20.173 -1.969 8.439 224 HG11 VAL 28 1HG1 VAL 28 18.227 -0.207 7.009 225 HG12 VAL 28 2HG1 VAL 28 19.202 -1.539 6.385 226 HG13 VAL 28 3HG1 VAL 28 17.795 -1.872 7.395 227 HG21 VAL 28 3HG2 VAL 28 20.507 0.435 9.510 228 HG22 VAL 28 1HG2 VAL 28 21.248 -0.014 7.974 229 HG23 VAL 28 2HG2 VAL 28 19.764 0.938 7.992 230 HA PRO 29 HA PRO 29 20.345 -3.084 13.099 231 HB2 PRO 29 2HB PRO 29 21.534 -5.374 12.256 232 HB3 PRO 29 3HB PRO 29 19.817 -5.277 12.663 233 HG2 PRO 29 2HG PRO 29 21.134 -5.197 9.976 234 HG3 PRO 29 3HG PRO 29 19.672 -6.065 10.480 235 HD2 PRO 29 2HD PRO 29 19.582 -3.723 9.123 236 HD3 PRO 29 3HD PRO 29 18.348 -4.186 10.312 237 H ASP 30 H ASP 30 22.646 -3.821 13.702 238 HA ASP 30 HA ASP 30 24.475 -1.878 12.849 239 HB2 ASP 30 2HB ASP 30 25.117 -4.513 14.187 240 HB3 ASP 30 3HB ASP 30 26.122 -3.066 14.179 241 H GLY 31 H GLY 31 23.608 -4.890 11.472 242 HA2 GLY 31 2HA GLY 31 24.347 -5.067 9.091 243 HA3 GLY 31 3HA GLY 31 25.969 -4.761 9.696 244 H ALA 32 H ALA 32 25.119 -6.491 12.110 245 HA ALA 32 HA ALA 32 25.333 -9.113 10.793 246 HB1 ALA 32 1HB ALA 32 27.554 -8.300 11.610 247 HB2 ALA 32 2HB ALA 32 26.901 -8.350 13.248 248 HB3 ALA 32 3HB ALA 32 27.029 -9.834 12.305 249 H VAL 33 H VAL 33 23.127 -7.579 12.128 250 HA VAL 33 HA VAL 33 22.579 -9.279 14.449 251 HB VAL 33 HB VAL 33 20.810 -7.043 13.500 252 HG11 VAL 33 1HG1 VAL 33 19.640 -7.604 15.299 253 HG12 VAL 33 2HG1 VAL 33 20.812 -8.863 15.691 254 HG13 VAL 33 3HG1 VAL 33 21.032 -7.227 16.313 255 HG21 VAL 33 3HG2 VAL 33 22.056 -5.553 15.048 256 HG22 VAL 33 1HG2 VAL 33 23.281 -6.811 15.211 257 HG23 VAL 33 2HG2 VAL 33 22.999 -6.054 13.644 258 H LYS 34 H LYS 34 22.459 -10.182 11.608 259 HA LYS 34 HA LYS 34 21.142 -11.445 10.246 260 HB2 LYS 34 2HB LYS 34 19.551 -11.909 12.774 261 HB3 LYS 34 3HB LYS 34 19.549 -12.925 11.338 262 HG2 LYS 34 2HG LYS 34 21.973 -12.422 13.051 263 HG3 LYS 34 3HG LYS 34 20.902 -13.815 13.219 264 HD2 LYS 34 2HD LYS 34 22.092 -13.189 10.552 265 HD3 LYS 34 3HD LYS 34 23.082 -13.984 11.779 266 HE2 LYS 34 2HE LYS 34 22.196 -15.817 10.743 267 HE3 LYS 34 3HE LYS 34 20.966 -15.546 11.977 268 HZ1 LYS 34 3HZ LYS 34 19.449 -14.933 10.455 269 HZ2 LYS 34 1HZ LYS 34 20.419 -15.821 9.391 270 HZ3 LYS 34 2HZ LYS 34 20.571 -14.138 9.469 271 HA PRO 35 HA PRO 35 18.038 -8.024 9.815 272 HB2 PRO 35 2HB PRO 35 18.671 -7.466 7.235 273 HB3 PRO 35 3HB PRO 35 19.517 -6.745 8.609 274 HG2 PRO 35 2HG PRO 35 20.322 -9.061 6.891 275 HG3 PRO 35 3HG PRO 35 21.311 -7.717 7.492 276 HD2 PRO 35 2HD PRO 35 21.329 -10.168 8.643 277 HD3 PRO 35 3HD PRO 35 21.572 -8.675 9.572 278 HA PRO 36 HA PRO 36 14.972 -10.365 7.705 279 HB2 PRO 36 2HB PRO 36 13.574 -8.458 6.371 280 HB3 PRO 36 3HB PRO 36 13.499 -8.653 8.126 281 HG2 PRO 36 2HG PRO 36 15.093 -6.707 6.503 282 HG3 PRO 36 3HG PRO 36 14.172 -6.431 7.994 283 HD2 PRO 36 2HD PRO 36 16.863 -6.739 7.979 284 HD3 PRO 36 3HD PRO 36 15.848 -7.274 9.334 285 H THR 37 H THR 37 13.939 -10.727 5.499 286 HA THR 37 HA THR 37 16.012 -10.474 3.420 287 HB THR 37 HB THR 37 15.743 -12.783 3.891 288 HG1 THR 37 HG1 THR 37 13.976 -12.588 1.716 289 HG21 THR 37 3HG2 THR 37 13.629 -12.625 5.135 290 HG22 THR 37 1HG2 THR 37 13.582 -13.916 3.936 291 HG23 THR 37 2HG2 THR 37 12.760 -12.388 3.619 292 H ASN 38 H ASN 38 12.620 -10.098 4.175 293 HA ASN 38 HA ASN 38 12.283 -8.424 1.831 294 HB2 ASN 38 2HB ASN 38 11.696 -10.877 1.248 295 HB3 ASN 38 3HB ASN 38 10.273 -10.622 2.252 296 HD21 ASN 38 1HD2 ASN 38 12.036 -8.775 -0.217 297 HD22 ASN 38 2HD2 ASN 38 10.640 -8.373 -1.153 298 H LYS 39 H LYS 39 12.236 -8.267 4.823 299 HA LYS 39 HA LYS 39 9.695 -6.822 5.023 300 HB2 LYS 39 2HB LYS 39 10.733 -8.786 7.073 301 HB3 LYS 39 3HB LYS 39 9.389 -7.684 7.341 302 HG2 LYS 39 2HG LYS 39 7.960 -8.889 6.056 303 HG3 LYS 39 3HG LYS 39 9.235 -9.459 4.976 304 HD2 LYS 39 2HD LYS 39 9.759 -11.235 6.310 305 HD3 LYS 39 3HD LYS 39 9.296 -10.396 7.793 306 HE2 LYS 39 2HE LYS 39 6.892 -10.569 6.839 307 HE3 LYS 39 3HE LYS 39 7.572 -11.824 5.804 308 HZ1 LYS 39 3HZ LYS 39 6.770 -12.018 8.489 309 HZ2 LYS 39 1HZ LYS 39 8.433 -12.321 8.407 310 HZ3 LYS 39 2HZ LYS 39 7.360 -13.237 7.475 311 H LEU 40 H LEU 40 9.719 -5.589 7.259 312 HA LEU 40 HA LEU 40 12.414 -4.502 7.711 313 HB2 LEU 40 2HB LEU 40 11.067 -2.282 8.079 314 HB3 LEU 40 3HB LEU 40 11.598 -2.772 6.472 315 HG LEU 40 HG LEU 40 8.868 -3.563 7.362 316 HD11 LEU 40 1HD1 LEU 40 8.478 -1.164 6.066 317 HD12 LEU 40 2HD1 LEU 40 9.802 -0.819 7.178 318 HD13 LEU 40 3HD1 LEU 40 8.278 -1.460 7.793 319 HD21 LEU 40 3HD2 LEU 40 10.196 -4.029 5.109 320 HD22 LEU 40 1HD2 LEU 40 9.534 -2.447 4.696 321 HD23 LEU 40 2HD2 LEU 40 8.451 -3.768 5.135 322 HA PRO 41 HA PRO 41 11.607 -4.811 12.012 323 HB2 PRO 41 2HB PRO 41 12.837 -2.597 12.989 324 HB3 PRO 41 3HB PRO 41 13.724 -3.994 12.368 325 HG2 PRO 41 2HG PRO 41 13.092 -1.399 11.017 326 HG3 PRO 41 3HG PRO 41 14.607 -2.320 11.017 327 HD2 PRO 41 2HD PRO 41 12.859 -2.392 8.950 328 HD3 PRO 41 3HD PRO 41 13.863 -3.785 9.400 329 H ILE 42 H ILE 42 9.703 -4.522 12.972 330 HA ILE 42 HA ILE 42 8.504 -1.829 12.941 331 HB ILE 42 HB ILE 42 6.947 -4.409 13.046 332 HG12 ILE 42 2HG1 ILE 42 8.097 -4.264 10.895 333 HG13 ILE 42 3HG1 ILE 42 6.373 -3.980 10.686 334 HG21 ILE 42 1HG2 ILE 42 5.473 -2.213 12.028 335 HG22 ILE 42 2HG2 ILE 42 5.223 -3.103 13.529 336 HG23 ILE 42 3HG2 ILE 42 6.276 -1.688 13.508 337 HD11 ILE 42 3HD1 ILE 42 6.798 -2.057 9.694 338 HD12 ILE 42 1HD1 ILE 42 7.654 -1.482 11.124 339 HD13 ILE 42 2HD1 ILE 42 8.526 -2.361 9.868 340 H PHE 43 H PHE 43 9.065 -1.092 14.925 341 HA PHE 43 HA PHE 43 9.037 -2.740 17.263 342 HB2 PHE 43 2HB PHE 43 10.525 -0.737 16.927 343 HB3 PHE 43 3HB PHE 43 9.103 0.279 17.140 344 HD1 PHE 43 HD1 PHE 43 10.352 -2.746 18.930 345 HD2 PHE 43 HD2 PHE 43 9.213 1.348 19.166 346 HE1 PHE 43 HE1 PHE 43 10.688 -2.797 21.367 347 HE2 PHE 43 HE2 PHE 43 9.548 1.304 21.603 348 HZ PHE 43 HZ PHE 43 10.287 -0.770 22.707 349 H PHE 44 H PHE 44 7.165 -3.490 18.022 350 HA PHE 44 HA PHE 44 4.686 -2.097 17.705 351 HB2 PHE 44 2HB PHE 44 5.572 -4.680 18.855 352 HB3 PHE 44 3HB PHE 44 4.089 -4.003 19.521 353 HD1 PHE 44 HD2 PHE 44 5.703 -5.318 16.501 354 HD2 PHE 44 HD1 PHE 44 2.083 -3.890 18.224 355 HE1 PHE 44 HE2 PHE 44 4.446 -6.196 14.578 356 HE2 PHE 44 HE1 PHE 44 0.819 -4.767 16.303 357 HZ PHE 44 HZ PHE 44 2.000 -5.920 14.476 358 H PHE 45 H PHE 45 4.132 -0.385 18.865 359 HA PHE 45 HA PHE 45 5.364 0.200 21.394 360 HB2 PHE 45 2HB PHE 45 3.600 1.594 19.488 361 HB3 PHE 45 3HB PHE 45 3.351 2.024 21.177 362 HD1 PHE 45 HD2 PHE 45 5.998 1.964 22.315 363 HD2 PHE 45 HD1 PHE 45 4.741 3.316 18.480 364 HE1 PHE 45 HE2 PHE 45 7.937 3.474 22.216 365 HE2 PHE 45 HE1 PHE 45 6.679 4.828 18.374 366 HZ PHE 45 HZ PHE 45 8.280 4.910 20.244 367 H GLY 46 H GLY 46 4.365 0.328 23.415 368 HA2 GLY 46 2HA GLY 46 2.602 0.053 24.951 369 HA3 GLY 46 3HA GLY 46 1.631 -0.664 23.674 370 H THR 47 H THR 47 3.586 -2.571 22.812 371 HA THR 47 HA THR 47 3.540 -4.390 25.131 372 HB THR 47 HB THR 47 3.323 -6.252 23.608 373 HG1 THR 47 HG1 THR 47 2.999 -5.680 21.300 374 HG21 THR 47 3HG2 THR 47 1.381 -4.040 22.930 375 HG22 THR 47 1HG2 THR 47 1.243 -5.182 24.266 376 HG23 THR 47 2HG2 THR 47 1.123 -5.754 22.602 377 H HIS 48 H HIS 48 5.575 -2.582 23.284 378 HA HIS 48 HA HIS 48 7.809 -2.598 22.831 379 HB2 HIS 48 2HB HIS 48 7.654 -4.221 25.362 380 HB3 HIS 48 3HB HIS 48 9.197 -3.852 24.598 381 HD1 HIS 48 HD1 HIS 48 8.433 -0.892 23.783 382 HD2 HIS 48 HD2 HIS 48 7.984 -2.581 27.552 383 HE1 HIS 48 HE1 HIS 48 8.417 1.043 25.389 384 H GLU 49 H GLU 49 6.223 -4.550 21.441 385 HA GLU 49 HA GLU 49 7.983 -6.879 21.258 386 HB2 GLU 49 2HB GLU 49 5.318 -6.337 19.936 387 HB3 GLU 49 3HB GLU 49 6.224 -7.841 19.829 388 HG2 GLU 49 2HG GLU 49 5.916 -8.280 22.149 389 HG3 GLU 49 3HG GLU 49 5.230 -6.678 22.417 390 H THR 50 H THR 50 8.138 -7.714 18.861 391 HA THR 50 HA THR 50 8.537 -5.573 16.938 392 HB THR 50 HB THR 50 10.685 -5.438 17.885 393 HG1 THR 50 HG1 THR 50 11.103 -7.374 15.853 394 HG21 THR 50 3HG2 THR 50 10.295 -8.305 18.379 395 HG22 THR 50 1HG2 THR 50 11.192 -7.106 19.311 396 HG23 THR 50 2HG2 THR 50 11.933 -7.863 17.901 397 H ALA 51 H ALA 51 7.855 -6.254 15.021 398 HA ALA 51 HA ALA 51 8.157 -9.096 14.329 399 HB1 ALA 51 1HB ALA 51 5.967 -9.421 13.861 400 HB2 ALA 51 2HB ALA 51 5.764 -8.155 15.072 401 HB3 ALA 51 3HB ALA 51 5.712 -7.750 13.357 402 H PHE 52 H PHE 52 8.723 -9.514 12.247 403 HA PHE 52 HA PHE 52 9.491 -7.222 10.628 404 HB2 PHE 52 2HB PHE 52 10.094 -10.168 10.497 405 HB3 PHE 52 3HB PHE 52 10.489 -9.092 9.161 406 HD1 PHE 52 HD1 PHE 52 11.536 -6.732 10.308 407 HD2 PHE 52 HD2 PHE 52 11.979 -10.743 11.661 408 HE1 PHE 52 HE1 PHE 52 13.642 -6.119 11.424 409 HE2 PHE 52 HE2 PHE 52 14.085 -10.137 12.779 410 HZ PHE 52 HZ PHE 52 14.919 -7.823 12.662 411 H LEU 53 H LEU 53 7.923 -6.390 9.403 412 HA LEU 53 HA LEU 53 6.382 -8.230 7.706 413 HB2 LEU 53 2HB LEU 53 5.226 -5.724 8.897 414 HB3 LEU 53 3HB LEU 53 4.380 -7.002 8.026 415 HG LEU 53 HG LEU 53 5.685 -7.439 10.704 416 HD11 LEU 53 1HD1 LEU 53 3.344 -5.908 10.108 417 HD12 LEU 53 2HD1 LEU 53 4.070 -6.272 11.673 418 HD13 LEU 53 3HD1 LEU 53 2.887 -7.377 10.972 419 HD21 LEU 53 3HD2 LEU 53 3.838 -8.989 8.931 420 HD22 LEU 53 1HD2 LEU 53 3.839 -9.255 10.674 421 HD23 LEU 53 2HD2 LEU 53 5.314 -9.514 9.743 422 H GLY 54 H GLY 54 6.418 -7.735 5.604 423 HA2 GLY 54 2HA GLY 54 8.074 -5.762 4.546 424 HA3 GLY 54 3HA GLY 54 6.809 -6.592 3.652 425 HA PRO 55 HA PRO 55 5.821 -2.024 4.073 426 HB2 PRO 55 2HB PRO 55 5.695 -1.511 1.410 427 HB3 PRO 55 3HB PRO 55 7.192 -1.390 2.342 428 HG2 PRO 55 2HG PRO 55 6.227 -3.616 0.589 429 HG3 PRO 55 3HG PRO 55 7.850 -2.914 0.713 430 HD2 PRO 55 2HD PRO 55 7.173 -5.240 1.922 431 HD3 PRO 55 3HD PRO 55 8.362 -4.117 2.612 432 H LYS 56 H LYS 56 4.639 -4.379 1.680 433 HA LYS 56 HA LYS 56 2.083 -3.225 1.360 434 HB2 LYS 56 2HB LYS 56 2.722 -6.151 1.010 435 HB3 LYS 56 3HB LYS 56 1.494 -5.205 0.179 436 HG2 LYS 56 2HG LYS 56 3.450 -3.848 -0.765 437 HG3 LYS 56 3HG LYS 56 4.462 -5.186 -0.218 438 HD2 LYS 56 2HD LYS 56 2.607 -6.596 -1.503 439 HD3 LYS 56 3HD LYS 56 2.453 -5.084 -2.402 440 HE2 LYS 56 2HE LYS 56 4.076 -6.118 -3.637 441 HE3 LYS 56 3HE LYS 56 5.082 -5.257 -2.473 442 HZ1 LYS 56 3HZ LYS 56 5.881 -7.170 -1.733 443 HZ2 LYS 56 1HZ LYS 56 5.051 -7.973 -2.969 444 HZ3 LYS 56 2HZ LYS 56 4.332 -7.788 -1.450 445 H ASP 57 H ASP 57 3.450 -4.968 3.925 446 HA ASP 57 HA ASP 57 0.903 -5.975 4.915 447 HB2 ASP 57 2HB ASP 57 3.767 -6.339 5.660 448 HB3 ASP 57 3HB ASP 57 2.553 -6.571 6.916 449 H ILE 58 H ILE 58 3.086 -3.324 5.398 450 HA ILE 58 HA ILE 58 1.671 -2.487 7.822 451 HB ILE 58 HB ILE 58 3.422 -0.706 7.944 452 HG12 ILE 58 2HG1 ILE 58 4.694 -2.273 5.689 453 HG13 ILE 58 3HG1 ILE 58 3.960 -0.682 5.520 454 HG21 ILE 58 1HG2 ILE 58 4.911 -2.076 9.025 455 HG22 ILE 58 2HG2 ILE 58 3.508 -3.138 8.917 456 HG23 ILE 58 3HG2 ILE 58 4.841 -3.320 7.777 457 HD11 ILE 58 3HD1 ILE 58 6.466 -0.742 5.706 458 HD12 ILE 58 1HD1 ILE 58 5.634 0.332 6.829 459 HD13 ILE 58 2HD1 ILE 58 6.245 -1.226 7.387 460 H PHE 59 H PHE 59 0.343 -0.762 7.894 461 HA PHE 59 HA PHE 59 0.004 0.785 5.409 462 HB2 PHE 59 2HB PHE 59 -1.953 -0.514 7.201 463 HB3 PHE 59 3HB PHE 59 -2.381 1.107 6.664 464 HD1 PHE 59 HD1 PHE 59 -1.130 -2.127 5.294 465 HD2 PHE 59 HD2 PHE 59 -3.518 1.342 4.681 466 HE1 PHE 59 HE1 PHE 59 -1.917 -3.051 3.154 467 HE2 PHE 59 HE2 PHE 59 -4.310 0.424 2.541 468 HZ PHE 59 HZ PHE 59 -3.510 -1.776 1.775 469 HA PRO 60 HA PRO 60 0.660 4.536 7.585 470 HB2 PRO 60 2HB PRO 60 -1.211 6.188 6.518 471 HB3 PRO 60 3HB PRO 60 0.216 5.650 5.625 472 HG2 PRO 60 2HG PRO 60 -2.589 4.610 5.516 473 HG3 PRO 60 3HG PRO 60 -1.459 4.924 4.185 474 HD2 PRO 60 2HD PRO 60 -1.900 2.439 5.167 475 HD3 PRO 60 3HD PRO 60 -0.329 2.941 4.511 476 H TYR 61 H TYR 61 0.166 5.228 9.569 477 HA TYR 61 HA TYR 61 -2.102 4.311 10.965 478 HB2 TYR 61 2HB TYR 61 -1.085 5.165 12.804 479 HB3 TYR 61 3HB TYR 61 0.292 5.320 11.719 480 HD1 TYR 61 HD1 TYR 61 0.594 7.564 10.510 481 HD2 TYR 61 HD2 TYR 61 -1.968 7.049 13.867 482 HE1 TYR 61 HE1 TYR 61 0.646 9.990 10.914 483 HE2 TYR 61 HE2 TYR 61 -1.925 9.473 14.280 484 HH TYR 61 HH TYR 61 -0.436 11.695 12.026 485 H SER 62 H SER 62 -1.698 6.908 8.826 486 HA SER 62 HA SER 62 -3.559 8.747 9.918 487 HB2 SER 62 2HB SER 62 -1.782 9.157 8.099 488 HB3 SER 62 3HB SER 62 -2.964 8.484 6.976 489 HG SER 62 HG SER 62 -3.015 10.824 7.245 490 H GLU 63 H GLU 63 -3.919 5.769 8.285 491 HA GLU 63 HA GLU 63 -6.659 6.354 7.459 492 HB2 GLU 63 2HB GLU 63 -4.816 4.966 6.151 493 HB3 GLU 63 3HB GLU 63 -5.436 3.652 7.140 494 HG2 GLU 63 2HG GLU 63 -6.667 3.505 5.181 495 HG3 GLU 63 3HG GLU 63 -7.745 4.349 6.292 496 H ASN 64 H ASN 64 -4.850 4.408 9.757 497 HA ASN 64 HA ASN 64 -7.183 3.030 10.733 498 HB2 ASN 64 2HB ASN 64 -4.371 3.201 11.841 499 HB3 ASN 64 3HB ASN 64 -5.634 2.136 12.452 500 HD21 ASN 64 1HD2 ASN 64 -6.079 0.267 11.407 501 HD22 ASN 64 2HD2 ASN 64 -5.207 -0.297 10.027 502 H LYS 65 H LYS 65 -5.129 5.697 11.816 503 HA LYS 65 HA LYS 65 -6.215 6.103 14.344 504 HB2 LYS 65 2HB LYS 65 -5.221 8.249 14.299 505 HB3 LYS 65 3HB LYS 65 -4.184 7.228 13.313 506 HG2 LYS 65 2HG LYS 65 -5.169 8.132 11.291 507 HG3 LYS 65 3HG LYS 65 -6.279 9.113 12.252 508 HD2 LYS 65 2HD LYS 65 -4.019 9.965 13.331 509 HD3 LYS 65 3HD LYS 65 -3.361 9.449 11.777 510 HE2 LYS 65 2HE LYS 65 -5.721 11.299 12.076 511 HE3 LYS 65 3HE LYS 65 -4.059 11.852 11.880 512 HZ1 LYS 65 3HZ LYS 65 -5.481 10.108 9.943 513 HZ2 LYS 65 1HZ LYS 65 -3.951 10.803 9.747 514 HZ3 LYS 65 2HZ LYS 65 -5.328 11.785 9.784 515 H GLU 66 H GLU 66 -7.505 6.828 11.209 516 HA GLU 66 HA GLU 66 -9.547 8.607 12.244 517 HB2 GLU 66 2HB GLU 66 -8.475 8.877 9.975 518 HB3 GLU 66 3HB GLU 66 -9.342 7.434 9.469 519 HG2 GLU 66 2HG GLU 66 -10.896 8.887 8.790 520 HG3 GLU 66 3HG GLU 66 -11.368 8.905 10.488 521 H LYS 67 H LYS 67 -9.121 5.260 11.731 522 HA LYS 67 HA LYS 67 -11.872 4.572 11.344 523 HB2 LYS 67 2HB LYS 67 -9.445 2.950 12.112 524 HB3 LYS 67 3HB LYS 67 -11.044 2.245 11.910 525 HG2 LYS 67 2HG LYS 67 -9.905 3.879 9.699 526 HG3 LYS 67 3HG LYS 67 -9.307 2.238 9.953 527 HD2 LYS 67 2HD LYS 67 -12.251 2.744 9.856 528 HD3 LYS 67 3HD LYS 67 -11.328 2.667 8.353 529 HE2 LYS 67 2HE LYS 67 -10.629 0.444 8.795 530 HE3 LYS 67 3HE LYS 67 -11.206 0.521 10.460 531 HZ1 LYS 67 3HZ LYS 67 -13.465 0.624 9.656 532 HZ2 LYS 67 1HZ LYS 67 -12.698 -0.743 9.019 533 HZ3 LYS 67 2HZ LYS 67 -12.937 0.622 8.049 534 H TYR 68 H TYR 68 -9.666 3.956 14.083 535 HA TYR 68 HA TYR 68 -11.944 4.371 15.897 536 HB2 TYR 68 2HB TYR 68 -9.959 2.354 16.743 537 HB3 TYR 68 3HB TYR 68 -11.709 2.365 16.933 538 HD1 TYR 68 HD1 TYR 68 -13.160 1.535 15.126 539 HD2 TYR 68 HD2 TYR 68 -8.921 1.304 14.849 540 HE1 TYR 68 HE1 TYR 68 -13.375 -0.094 13.296 541 HE2 TYR 68 HE2 TYR 68 -9.123 -0.326 13.018 542 HH TYR 68 HH TYR 68 -12.204 -1.701 12.115 543 H GLY 69 H GLY 69 -8.579 4.719 15.198 544 HA2 GLY 69 2HA GLY 69 -7.049 6.194 16.102 545 HA3 GLY 69 3HA GLY 69 -8.298 6.746 17.208 546 H LYS 70 H LYS 70 -8.588 3.713 17.859 547 HA LYS 70 HA LYS 70 -6.157 3.266 19.389 548 HB2 LYS 70 2HB LYS 70 -8.530 2.912 21.065 549 HB3 LYS 70 3HB LYS 70 -6.977 3.639 21.453 550 HG2 LYS 70 2HG LYS 70 -7.689 5.709 20.334 551 HG3 LYS 70 3HG LYS 70 -9.263 4.975 20.017 552 HD2 LYS 70 2HD LYS 70 -8.362 4.876 22.819 553 HD3 LYS 70 3HD LYS 70 -8.699 6.490 22.189 554 HE2 LYS 70 2HE LYS 70 -10.914 5.640 21.414 555 HE3 LYS 70 3HE LYS 70 -10.566 4.123 22.242 556 HZ1 LYS 70 3HZ LYS 70 -10.483 6.705 23.674 557 HZ2 LYS 70 1HZ LYS 70 -10.652 5.148 24.313 558 HZ3 LYS 70 2HZ LYS 70 -11.935 5.861 23.473 559 HA PRO 71 HA PRO 71 -7.022 -0.981 18.715 560 HB2 PRO 71 2HB PRO 71 -6.191 -2.141 21.025 561 HB3 PRO 71 3HB PRO 71 -5.074 -1.468 19.832 562 HG2 PRO 71 2HG PRO 71 -6.078 -0.258 22.379 563 HG3 PRO 71 3HG PRO 71 -4.435 -0.258 21.712 564 HD2 PRO 71 2HD PRO 71 -6.092 1.874 21.504 565 HD3 PRO 71 3HD PRO 71 -4.889 1.474 20.261 566 H ASN 72 H ASN 72 -8.611 -2.496 18.964 567 HA ASN 72 HA ASN 72 -10.734 -1.840 20.869 568 HB2 ASN 72 2HB ASN 72 -10.650 -2.911 18.174 569 HB3 ASN 72 3HB ASN 72 -11.615 -3.932 19.236 570 HD21 ASN 72 1HD2 ASN 72 -12.864 -2.296 20.881 571 HD22 ASN 72 2HD2 ASN 72 -13.857 -1.166 20.032 572 H LYS 73 H LYS 73 -9.144 -4.776 19.608 573 HA LYS 73 HA LYS 73 -9.538 -6.004 22.259 574 HB2 LYS 73 2HB LYS 73 -10.830 -6.933 20.199 575 HB3 LYS 73 3HB LYS 73 -9.275 -7.615 19.739 576 HG2 LYS 73 2HG LYS 73 -9.178 -8.936 21.712 577 HG3 LYS 73 3HG LYS 73 -10.569 -8.103 22.410 578 HD2 LYS 73 2HD LYS 73 -10.823 -9.552 19.802 579 HD3 LYS 73 3HD LYS 73 -10.894 -10.440 21.326 580 HE2 LYS 73 2HE LYS 73 -12.791 -9.204 22.050 581 HE3 LYS 73 3HE LYS 73 -12.620 -8.045 20.732 582 HZ1 LYS 73 3HZ LYS 73 -14.364 -9.936 20.574 583 HZ2 LYS 73 1HZ LYS 73 -13.044 -10.887 20.110 584 HZ3 LYS 73 2HZ LYS 73 -13.460 -9.519 19.207 585 H ARG 74 H ARG 74 -7.275 -4.422 21.387 586 HA ARG 74 HA ARG 74 -5.176 -6.492 21.384 587 HB2 ARG 74 2HB ARG 74 -5.186 -3.713 20.211 588 HB3 ARG 74 3HB ARG 74 -3.709 -4.637 20.452 589 HG2 ARG 74 2HG ARG 74 -6.029 -5.636 18.824 590 HG3 ARG 74 3HG ARG 74 -4.681 -4.723 18.143 591 HD2 ARG 74 2HD ARG 74 -4.279 -7.231 19.750 592 HD3 ARG 74 3HD ARG 74 -4.551 -7.263 18.008 593 HE ARG 74 HE ARG 74 -2.480 -5.476 18.480 594 HH11 ARG 74 1HH1 ARG 74 -3.117 -8.875 18.880 595 HH12 ARG 74 2HH1 ARG 74 -1.459 -9.341 18.686 596 HH21 ARG 74 1HH2 ARG 74 -0.295 -6.077 18.224 597 HH22 ARG 74 2HH2 ARG 74 0.145 -7.749 18.314 598 H LYS 75 H LYS 75 -3.806 -6.548 23.054 599 HA LYS 75 HA LYS 75 -4.262 -4.959 25.353 600 HB2 LYS 75 2HB LYS 75 -2.263 -7.032 24.563 601 HB3 LYS 75 3HB LYS 75 -1.931 -6.044 25.979 602 HG2 LYS 75 2HG LYS 75 -2.980 -7.996 26.769 603 HG3 LYS 75 3HG LYS 75 -4.202 -6.724 26.838 604 HD2 LYS 75 2HD LYS 75 -5.259 -7.532 24.855 605 HD3 LYS 75 3HD LYS 75 -3.936 -8.658 24.542 606 HE2 LYS 75 2HE LYS 75 -4.543 -10.034 26.351 607 HE3 LYS 75 3HE LYS 75 -5.590 -8.798 27.046 608 HZ1 LYS 75 3HZ LYS 75 -7.056 -10.271 26.056 609 HZ2 LYS 75 1HZ LYS 75 -6.075 -10.519 24.700 610 HZ3 LYS 75 2HZ LYS 75 -6.910 -9.060 24.884 611 H GLY 76 H GLY 76 -3.137 -3.255 26.218 612 HA2 GLY 76 2HA GLY 76 -1.098 -1.911 26.289 613 HA3 GLY 76 3HA GLY 76 -0.977 -2.126 24.549 614 H PHE 77 H PHE 77 -4.167 -1.709 25.146 615 HA PHE 77 HA PHE 77 -4.414 0.727 23.874 616 HB2 PHE 77 2HB PHE 77 -6.702 0.781 24.669 617 HB3 PHE 77 3HB PHE 77 -6.271 -0.878 24.265 618 HD1 PHE 77 HD1 PHE 77 -7.059 1.456 26.964 619 HD2 PHE 77 HD2 PHE 77 -6.050 -2.561 25.982 620 HE1 PHE 77 HE1 PHE 77 -7.749 0.737 29.213 621 HE2 PHE 77 HE2 PHE 77 -6.739 -3.286 28.230 622 HZ PHE 77 HZ PHE 77 -7.590 -1.637 29.849 623 H ASN 78 H ASN 78 -4.278 2.817 24.446 624 HA ASN 78 HA ASN 78 -3.884 4.688 25.677 625 HB2 ASN 78 2HB ASN 78 -5.654 3.095 27.274 626 HB3 ASN 78 3HB ASN 78 -4.505 3.910 28.331 627 HD21 ASN 78 1HD2 ASN 78 -4.082 6.277 27.222 628 HD22 ASN 78 2HD2 ASN 78 -5.546 7.184 27.087 629 H GLU 79 H GLU 79 -1.957 2.341 25.523 630 HA GLU 79 HA GLU 79 -0.187 3.227 27.706 631 HB2 GLU 79 2HB GLU 79 -0.076 0.480 26.479 632 HB3 GLU 79 3HB GLU 79 0.676 1.038 27.966 633 HG2 GLU 79 2HG GLU 79 -1.840 1.461 28.654 634 HG3 GLU 79 3HG GLU 79 -2.121 0.207 27.447 635 H GLY 80 H GLY 80 0.110 4.769 25.689 636 HA2 GLY 80 2HA GLY 80 2.291 5.347 24.714 637 HA3 GLY 80 3HA GLY 80 2.392 3.683 24.158 638 H LEU 81 H LEU 81 -0.751 4.706 23.835 639 HA LEU 81 HA LEU 81 -0.576 4.763 20.986 640 HB2 LEU 81 2HB LEU 81 -2.518 3.818 22.010 641 HB3 LEU 81 3HB LEU 81 -2.838 5.307 22.898 642 HG LEU 81 HG LEU 81 -2.940 6.159 20.301 643 HD11 LEU 81 1HD1 LEU 81 -4.062 4.623 18.951 644 HD12 LEU 81 2HD1 LEU 81 -4.420 3.552 20.304 645 HD13 LEU 81 3HD1 LEU 81 -2.771 3.678 19.693 646 HD21 LEU 81 3HD2 LEU 81 -5.247 5.082 21.918 647 HD22 LEU 81 1HD2 LEU 81 -5.323 6.297 20.642 648 HD23 LEU 81 2HD2 LEU 81 -4.496 6.661 22.157 649 H TRP 82 H TRP 82 -0.818 7.176 23.508 650 HA TRP 82 HA TRP 82 -1.323 9.337 21.659 651 HB2 TRP 82 2HB TRP 82 -2.294 9.647 23.791 652 HB3 TRP 82 3HB TRP 82 -0.807 9.200 24.624 653 HD1 TRP 82 HD1 TRP 82 -2.469 12.142 22.834 654 HE1 TRP 82 HE1 TRP 82 -1.165 14.290 23.396 655 HE3 TRP 82 HE3 TRP 82 1.503 10.062 25.291 656 HZ2 TRP 82 HZ2 TRP 82 1.230 15.007 24.706 657 HZ3 TRP 82 HZ3 TRP 82 3.257 11.549 26.168 658 HH2 TRP 82 HH2 TRP 82 3.122 13.969 25.880 659 H GLU 83 H GLU 83 1.405 7.681 22.869 660 HA GLU 83 HA GLU 83 3.255 9.874 22.507 661 HB2 GLU 83 2HB GLU 83 3.522 6.988 23.282 662 HB3 GLU 83 3HB GLU 83 4.943 7.914 22.820 663 HG2 GLU 83 2HG GLU 83 4.492 9.518 24.593 664 HG3 GLU 83 3HG GLU 83 3.044 8.621 25.046 665 H ILE 84 H ILE 84 1.882 7.384 20.594 666 HA ILE 84 HA ILE 84 3.820 6.803 18.726 667 HB ILE 84 HB ILE 84 1.490 5.847 18.826 668 HG12 ILE 84 2HG1 ILE 84 2.617 6.773 16.179 669 HG13 ILE 84 3HG1 ILE 84 2.939 5.249 17.000 670 HG21 ILE 84 1HG2 ILE 84 0.700 8.137 17.056 671 HG22 ILE 84 2HG2 ILE 84 -0.328 6.934 17.833 672 HG23 ILE 84 3HG2 ILE 84 0.452 8.184 18.802 673 HD11 ILE 84 3HD1 ILE 84 1.342 4.364 15.753 674 HD12 ILE 84 1HD1 ILE 84 0.183 5.306 16.691 675 HD13 ILE 84 2HD1 ILE 84 0.823 5.949 15.178 676 H ASP 85 H ASP 85 1.994 9.743 19.132 677 HA ASP 85 HA ASP 85 3.227 10.850 16.700 678 HB2 ASP 85 2HB ASP 85 0.613 11.213 17.984 679 HB3 ASP 85 3HB ASP 85 1.390 12.724 17.517 680 H ASN 86 H ASN 86 2.873 11.239 20.154 681 HA ASN 86 HA ASN 86 4.277 13.768 20.197 682 HB2 ASN 86 2HB ASN 86 3.178 11.956 22.341 683 HB3 ASN 86 3HB ASN 86 4.160 13.366 22.728 684 HD21 ASN 86 1HD2 ASN 86 1.237 12.343 21.045 685 HD22 ASN 86 2HD2 ASN 86 0.370 13.819 21.279 686 H ASN 87 H ASN 87 4.900 10.676 21.866 687 HA ASN 87 HA ASN 87 7.780 11.192 21.531 688 HB2 ASN 87 2HB ASN 87 6.746 11.068 23.888 689 HB3 ASN 87 3HB ASN 87 6.600 9.338 23.591 690 HD21 ASN 87 1HD2 ASN 87 8.071 10.062 25.673 691 HD22 ASN 87 2HD2 ASN 87 9.757 9.856 25.359 692 HA PRO 88 HA PRO 88 6.792 7.486 18.927 693 HB2 PRO 88 2HB PRO 88 8.365 8.246 16.848 694 HB3 PRO 88 3HB PRO 88 6.688 8.775 17.027 695 HG2 PRO 88 2HG PRO 88 9.215 10.225 17.714 696 HG3 PRO 88 3HG PRO 88 7.754 10.839 16.918 697 HD2 PRO 88 2HD PRO 88 8.268 11.260 19.543 698 HD3 PRO 88 3HD PRO 88 6.619 11.084 18.909 699 H LYS 89 H LYS 89 9.541 8.896 20.355 700 HA LYS 89 HA LYS 89 11.084 6.429 19.891 701 HB2 LYS 89 2HB LYS 89 13.138 7.758 20.061 702 HB3 LYS 89 3HB LYS 89 12.127 8.311 18.732 703 HG2 LYS 89 2HG LYS 89 11.433 10.227 19.942 704 HG3 LYS 89 3HG LYS 89 12.136 9.615 21.440 705 HD2 LYS 89 2HD LYS 89 13.663 11.225 20.666 706 HD3 LYS 89 3HD LYS 89 14.374 9.673 20.217 707 HE2 LYS 89 2HE LYS 89 13.998 9.992 17.983 708 HE3 LYS 89 3HE LYS 89 12.593 11.023 18.256 709 HZ1 LYS 89 3HZ LYS 89 15.275 11.775 17.804 710 HZ2 LYS 89 1HZ LYS 89 14.779 12.357 19.314 711 HZ3 LYS 89 2HZ LYS 89 13.904 12.758 17.923 712 H VAL 90 H VAL 90 9.189 7.027 22.022 713 HA VAL 90 HA VAL 90 10.411 7.804 24.410 714 HB VAL 90 HB VAL 90 8.009 7.595 24.274 715 HG11 VAL 90 1HG1 VAL 90 8.653 4.784 23.545 716 HG12 VAL 90 2HG1 VAL 90 7.158 5.102 24.428 717 HG13 VAL 90 3HG1 VAL 90 7.446 5.880 22.871 718 HG21 VAL 90 3HG2 VAL 90 8.909 5.486 26.219 719 HG22 VAL 90 1HG2 VAL 90 9.258 7.199 26.455 720 HG23 VAL 90 2HG2 VAL 90 7.586 6.641 26.385 721 H LYS 91 H LYS 91 10.714 4.904 22.581 722 HA LYS 91 HA LYS 91 11.368 3.008 24.482 723 HB2 LYS 91 2HB LYS 91 12.728 1.934 22.718 724 HB3 LYS 91 3HB LYS 91 11.148 2.442 22.134 725 HG2 LYS 91 2HG LYS 91 12.079 4.303 20.987 726 HG3 LYS 91 3HG LYS 91 13.651 4.065 21.753 727 HD2 LYS 91 2HD LYS 91 13.344 1.658 20.607 728 HD3 LYS 91 3HD LYS 91 12.405 2.639 19.480 729 HE2 LYS 91 2HE LYS 91 14.616 2.598 18.641 730 HE3 LYS 91 3HE LYS 91 14.392 4.190 19.364 731 HZ1 LYS 91 3HZ LYS 91 15.490 2.094 21.072 732 HZ2 LYS 91 1HZ LYS 91 15.849 3.746 21.020 733 HZ3 LYS 91 2HZ LYS 91 16.501 2.703 19.861 734 H PHE 92 H PHE 92 13.228 5.726 23.344 735 HA PHE 92 HA PHE 92 15.724 4.846 24.435 736 HB2 PHE 92 2HB PHE 92 15.734 6.404 22.584 737 HB3 PHE 92 3HB PHE 92 14.785 7.566 23.506 738 HD1 PHE 92 HD2 PHE 92 18.069 5.866 23.354 739 HD2 PHE 92 HD1 PHE 92 15.821 9.130 24.905 740 HE1 PHE 92 HE2 PHE 92 20.144 6.899 24.178 741 HE2 PHE 92 HE1 PHE 92 17.893 10.169 25.731 742 HZ PHE 92 HZ PHE 92 20.058 9.053 25.368 743 H SER 93 H SER 93 16.559 5.164 26.414 744 HA SER 93 HA SER 93 14.984 5.682 28.620 745 HB2 SER 93 2HB SER 93 17.333 4.645 28.515 746 HB3 SER 93 3HB SER 93 17.935 6.302 28.584 747 HG SER 93 HG SER 93 16.054 5.414 30.473 Start of MODEL 10 1 H MET 1 H MET 1 2.382 2.691 -1.655 2 HA MET 1 HA MET 1 1.305 0.415 -0.476 3 HB2 MET 1 2HB MET 1 2.035 1.140 -3.287 4 HB3 MET 1 3HB MET 1 1.512 -0.500 -2.926 5 HG2 MET 1 2HG MET 1 -0.522 0.575 -1.830 6 HG3 MET 1 3HG MET 1 -0.024 2.056 -2.645 7 HE1 MET 1 3HE MET 1 -2.481 2.040 -3.667 8 HE2 MET 1 1HE MET 1 -3.094 0.797 -4.758 9 HE3 MET 1 2HE MET 1 -2.900 0.445 -3.041 10 H THR 2 H THR 2 3.998 0.248 -2.794 11 HA THR 2 HA THR 2 5.142 -1.922 -1.161 12 HB THR 2 HB THR 2 5.830 -1.564 -4.055 13 HG1 THR 2 HG1 THR 2 3.476 -2.762 -2.996 14 HG21 THR 2 3HG2 THR 2 7.129 -3.180 -2.853 15 HG22 THR 2 1HG2 THR 2 6.007 -4.057 -3.893 16 HG23 THR 2 2HG2 THR 2 5.679 -3.912 -2.166 17 H ARG 3 H ARG 3 5.557 1.212 -1.568 18 HA ARG 3 HA ARG 3 8.325 1.409 -2.256 19 HB2 ARG 3 2HB ARG 3 6.695 3.443 -0.735 20 HB3 ARG 3 3HB ARG 3 8.133 3.727 -1.706 21 HG2 ARG 3 2HG ARG 3 5.469 2.811 -2.771 22 HG3 ARG 3 3HG ARG 3 6.084 4.465 -2.827 23 HD2 ARG 3 2HD ARG 3 7.553 2.135 -4.036 24 HD3 ARG 3 3HD ARG 3 6.364 3.079 -4.932 25 HE ARG 3 HE ARG 3 9.043 3.855 -4.268 26 HH11 ARG 3 1HH1 ARG 3 5.841 5.016 -4.987 27 HH12 ARG 3 2HH1 ARG 3 6.386 6.559 -5.555 28 HH21 ARG 3 1HH2 ARG 3 9.774 5.884 -5.013 29 HH22 ARG 3 2HH2 ARG 3 8.624 7.051 -5.570 30 H ASP 4 H ASP 4 9.680 2.802 -0.536 31 HA ASP 4 HA ASP 4 9.799 1.103 1.853 32 HB2 ASP 4 2HB ASP 4 11.806 1.358 0.307 33 HB3 ASP 4 3HB ASP 4 11.928 3.015 0.895 34 H PHE 5 H PHE 5 9.973 1.980 3.924 35 HA PHE 5 HA PHE 5 8.898 4.697 4.158 36 HB2 PHE 5 2HB PHE 5 8.741 2.237 5.820 37 HB3 PHE 5 3HB PHE 5 8.728 3.779 6.669 38 HD1 PHE 5 HD1 PHE 5 6.940 5.433 6.182 39 HD2 PHE 5 HD2 PHE 5 6.854 1.472 4.626 40 HE1 PHE 5 HE1 PHE 5 4.538 5.676 5.706 41 HE2 PHE 5 HE2 PHE 5 4.453 1.709 4.147 42 HZ PHE 5 HZ PHE 5 3.291 3.813 4.686 43 H LYS 6 H LYS 6 9.613 5.653 6.458 44 HA LYS 6 HA LYS 6 12.559 5.644 6.431 45 HB2 LYS 6 2HB LYS 6 12.230 7.954 7.531 46 HB3 LYS 6 3HB LYS 6 11.931 7.804 5.804 47 HG2 LYS 6 2HG LYS 6 9.518 7.611 6.268 48 HG3 LYS 6 3HG LYS 6 9.853 7.854 7.984 49 HD2 LYS 6 2HD LYS 6 10.871 9.846 6.010 50 HD3 LYS 6 3HD LYS 6 9.162 9.870 6.450 51 HE2 LYS 6 2HE LYS 6 11.454 9.982 8.408 52 HE3 LYS 6 3HE LYS 6 10.554 11.384 7.831 53 HZ1 LYS 6 3HZ LYS 6 9.940 9.870 10.012 54 HZ2 LYS 6 1HZ LYS 6 8.842 9.328 8.843 55 HZ3 LYS 6 2HZ LYS 6 8.908 10.969 9.245 56 HA PRO 7 HA PRO 7 12.702 4.336 10.617 57 HB2 PRO 7 2HB PRO 7 14.819 5.743 11.570 58 HB3 PRO 7 3HB PRO 7 14.993 4.391 10.445 59 HG2 PRO 7 2HG PRO 7 15.011 7.332 9.888 60 HG3 PRO 7 3HG PRO 7 16.065 6.063 9.237 61 HD2 PRO 7 2HD PRO 7 13.973 7.075 7.846 62 HD3 PRO 7 3HD PRO 7 14.503 5.389 7.681 63 H GLY 8 H GLY 8 11.221 4.878 12.091 64 HA2 GLY 8 2HA GLY 8 10.542 6.137 13.978 65 HA3 GLY 8 3HA GLY 8 11.356 7.541 13.303 66 H ASP 9 H ASP 9 9.395 5.728 11.151 67 HA ASP 9 HA ASP 9 7.523 7.952 10.992 68 HB2 ASP 9 2HB ASP 9 8.695 6.586 9.025 69 HB3 ASP 9 3HB ASP 9 7.269 5.571 9.221 70 H LEU 10 H LEU 10 5.340 7.812 11.359 71 HA LEU 10 HA LEU 10 4.489 5.656 13.089 72 HB2 LEU 10 2HB LEU 10 3.013 8.097 12.113 73 HB3 LEU 10 3HB LEU 10 2.437 6.979 13.348 74 HG LEU 10 HG LEU 10 3.226 8.806 14.558 75 HD11 LEU 10 1HD1 LEU 10 4.749 7.844 15.940 76 HD12 LEU 10 2HD1 LEU 10 5.786 7.314 14.617 77 HD13 LEU 10 3HD1 LEU 10 4.312 6.423 14.992 78 HD21 LEU 10 3HD2 LEU 10 4.812 10.257 13.900 79 HD22 LEU 10 1HD2 LEU 10 4.616 9.476 12.330 80 HD23 LEU 10 2HD2 LEU 10 5.923 8.979 13.405 81 H ILE 11 H ILE 11 3.683 3.838 12.296 82 HA ILE 11 HA ILE 11 1.667 3.939 10.208 83 HB ILE 11 HB ILE 11 2.750 2.178 8.860 84 HG12 ILE 11 2HG1 ILE 11 5.391 2.207 9.329 85 HG13 ILE 11 3HG1 ILE 11 4.821 2.473 10.973 86 HG21 ILE 11 1HG2 ILE 11 3.000 4.721 8.499 87 HG22 ILE 11 2HG2 ILE 11 4.665 4.472 9.024 88 HG23 ILE 11 3HG2 ILE 11 4.054 3.629 7.601 89 HD11 ILE 11 3HD1 ILE 11 4.780 0.064 9.338 90 HD12 ILE 11 1HD1 ILE 11 4.735 0.252 11.090 91 HD13 ILE 11 2HD1 ILE 11 3.251 0.400 10.148 92 H PHE 12 H PHE 12 0.203 2.292 10.329 93 HA PHE 12 HA PHE 12 0.234 0.711 12.731 94 HB2 PHE 12 2HB PHE 12 -1.719 1.298 10.572 95 HB3 PHE 12 3HB PHE 12 -1.931 -0.215 11.446 96 HD1 PHE 12 HD1 PHE 12 -0.941 3.236 12.465 97 HD2 PHE 12 HD2 PHE 12 -3.609 -0.037 12.993 98 HE1 PHE 12 HE1 PHE 12 -2.065 4.451 14.285 99 HE2 PHE 12 HE2 PHE 12 -4.738 1.172 14.814 100 HZ PHE 12 HZ PHE 12 -3.968 3.420 15.461 101 H ALA 13 H ALA 13 1.321 -1.129 12.875 102 HA ALA 13 HA ALA 13 2.095 -2.621 10.536 103 HB1 ALA 13 1HB ALA 13 2.667 -4.126 12.841 104 HB2 ALA 13 2HB ALA 13 3.778 -3.148 11.882 105 HB3 ALA 13 3HB ALA 13 2.943 -2.436 13.263 106 H LYS 14 H LYS 14 1.368 -4.602 9.875 107 HA LYS 14 HA LYS 14 -1.038 -5.624 11.237 108 HB2 LYS 14 2HB LYS 14 -1.552 -4.691 9.036 109 HB3 LYS 14 3HB LYS 14 -0.335 -5.724 8.297 110 HG2 LYS 14 2HG LYS 14 -2.168 -6.970 7.844 111 HG3 LYS 14 3HG LYS 14 -1.798 -7.618 9.444 112 HD2 LYS 14 2HD LYS 14 -3.391 -6.006 10.428 113 HD3 LYS 14 3HD LYS 14 -3.797 -5.449 8.803 114 HE2 LYS 14 2HE LYS 14 -4.169 -8.248 9.867 115 HE3 LYS 14 3HE LYS 14 -5.443 -7.053 9.633 116 HZ1 LYS 14 3HZ LYS 14 -3.968 -8.611 7.638 117 HZ2 LYS 14 1HZ LYS 14 -4.501 -7.064 7.207 118 HZ3 LYS 14 2HZ LYS 14 -5.616 -8.233 7.708 119 H MET 15 H MET 15 -0.400 -7.326 12.413 120 HA MET 15 HA MET 15 1.688 -9.099 11.480 121 HB2 MET 15 2HB MET 15 0.173 -8.714 14.004 122 HB3 MET 15 3HB MET 15 0.797 -10.328 13.691 123 HG2 MET 15 2HG MET 15 2.783 -8.281 13.196 124 HG3 MET 15 3HG MET 15 2.159 -8.222 14.843 125 HE1 MET 15 3HE MET 15 2.350 -10.180 16.582 126 HE2 MET 15 1HE MET 15 1.438 -11.209 15.477 127 HE3 MET 15 2HE MET 15 2.945 -11.792 16.184 128 H LYS 16 H LYS 16 1.444 -11.118 10.675 129 HA LYS 16 HA LYS 16 -0.856 -11.871 9.344 130 HB2 LYS 16 2HB LYS 16 1.558 -12.791 9.171 131 HB3 LYS 16 3HB LYS 16 1.063 -13.915 10.430 132 HG2 LYS 16 2HG LYS 16 -0.656 -13.667 8.021 133 HG3 LYS 16 3HG LYS 16 0.881 -14.523 7.873 134 HD2 LYS 16 2HD LYS 16 0.259 -16.075 9.584 135 HD3 LYS 16 3HD LYS 16 -1.183 -15.137 9.983 136 HE2 LYS 16 2HE LYS 16 -1.764 -17.094 8.659 137 HE3 LYS 16 3HE LYS 16 -2.101 -15.613 7.764 138 HZ1 LYS 16 3HZ LYS 16 -0.069 -15.917 6.524 139 HZ2 LYS 16 1HZ LYS 16 -1.028 -17.304 6.389 140 HZ3 LYS 16 2HZ LYS 16 0.317 -17.302 7.415 141 H GLY 17 H GLY 17 -2.799 -12.196 10.217 142 HA2 GLY 17 2HA GLY 17 -4.378 -13.504 11.352 143 HA3 GLY 17 3HA GLY 17 -3.077 -14.224 12.288 144 H TYR 18 H TYR 18 -3.235 -10.779 11.989 145 HA TYR 18 HA TYR 18 -4.640 -10.473 14.519 146 HB2 TYR 18 2HB TYR 18 -1.849 -9.368 14.166 147 HB3 TYR 18 3HB TYR 18 -2.859 -9.262 15.605 148 HD1 TYR 18 HD2 TYR 18 -0.848 -11.534 13.511 149 HD2 TYR 18 HD1 TYR 18 -2.995 -11.076 17.155 150 HE1 TYR 18 HE2 TYR 18 0.143 -13.623 14.350 151 HE2 TYR 18 HE1 TYR 18 -2.009 -13.164 18.005 152 HH TYR 18 HH TYR 18 -1.015 -15.333 16.852 153 HA PRO 19 HA PRO 19 -6.100 -6.772 12.663 154 HB2 PRO 19 2HB PRO 19 -6.573 -5.249 14.860 155 HB3 PRO 19 3HB PRO 19 -7.583 -6.629 14.412 156 HG2 PRO 19 2HG PRO 19 -5.384 -6.470 16.437 157 HG3 PRO 19 3HG PRO 19 -6.966 -7.260 16.563 158 HD2 PRO 19 2HD PRO 19 -4.691 -8.630 16.034 159 HD3 PRO 19 3HD PRO 19 -6.272 -9.119 15.390 160 H HIS 20 H HIS 20 -5.781 -4.318 12.759 161 HA HIS 20 HA HIS 20 -3.012 -3.764 12.396 162 HB2 HIS 20 2HB HIS 20 -5.137 -1.647 12.620 163 HB3 HIS 20 3HB HIS 20 -3.680 -1.645 11.630 164 HD1 HIS 20 HD1 HIS 20 -3.733 -3.372 9.550 165 HD2 HIS 20 HD2 HIS 20 -7.382 -2.506 11.339 166 HE1 HIS 20 HE1 HIS 20 -5.482 -4.082 7.889 167 H TRP 21 H TRP 21 -1.671 -2.359 13.559 168 HA TRP 21 HA TRP 21 -2.594 -1.359 16.131 169 HB2 TRP 21 2HB TRP 21 -1.862 -3.596 16.713 170 HB3 TRP 21 3HB TRP 21 -0.337 -3.355 15.866 171 HD1 TRP 21 HD1 TRP 21 1.463 -1.699 17.041 172 HE1 TRP 21 HE1 TRP 21 1.787 -1.051 19.511 173 HE3 TRP 21 HE3 TRP 21 -3.082 -3.164 18.869 174 HZ2 TRP 21 HZ2 TRP 21 0.312 -1.148 21.915 175 HZ3 TRP 21 HZ3 TRP 21 -3.545 -2.852 21.265 176 HH2 TRP 21 HH2 TRP 21 -1.882 -1.865 22.755 177 HA PRO 22 HA PRO 22 0.077 1.946 14.944 178 HB2 PRO 22 2HB PRO 22 0.201 3.222 17.337 179 HB3 PRO 22 3HB PRO 22 -1.226 3.271 16.295 180 HG2 PRO 22 2HG PRO 22 -0.695 1.570 18.700 181 HG3 PRO 22 3HG PRO 22 -2.176 2.431 18.244 182 HD2 PRO 22 2HD PRO 22 -1.852 -0.226 17.836 183 HD3 PRO 22 3HD PRO 22 -2.818 0.795 16.752 184 H ALA 23 H ALA 23 2.187 1.697 14.597 185 HA ALA 23 HA ALA 23 3.965 1.253 16.873 186 HB1 ALA 23 1HB ALA 23 3.799 -0.967 16.196 187 HB2 ALA 23 2HB ALA 23 3.750 -0.543 14.484 188 HB3 ALA 23 3HB ALA 23 5.259 -0.398 15.386 189 H ARG 24 H ARG 24 6.362 1.155 15.772 190 HA ARG 24 HA ARG 24 6.508 3.451 13.932 191 HB2 ARG 24 2HB ARG 24 8.508 4.222 15.133 192 HB3 ARG 24 3HB ARG 24 7.096 4.189 16.181 193 HG2 ARG 24 2HG ARG 24 8.550 3.207 17.594 194 HG3 ARG 24 3HG ARG 24 8.073 1.758 16.707 195 HD2 ARG 24 2HD ARG 24 10.499 1.896 16.935 196 HD3 ARG 24 3HD ARG 24 10.009 2.006 15.245 197 HE ARG 24 HE ARG 24 10.195 4.598 16.049 198 HH11 ARG 24 1HH1 ARG 24 12.352 1.866 16.103 199 HH12 ARG 24 2HH1 ARG 24 13.785 2.828 15.955 200 HH21 ARG 24 1HH2 ARG 24 12.075 5.876 15.854 201 HH22 ARG 24 2HH2 ARG 24 13.626 5.109 15.815 202 H VAL 25 H VAL 25 8.740 3.619 12.910 203 HA VAL 25 HA VAL 25 9.549 0.929 12.045 204 HB VAL 25 HB VAL 25 10.025 3.583 10.682 205 HG11 VAL 25 1HG1 VAL 25 11.690 2.380 9.744 206 HG12 VAL 25 2HG1 VAL 25 10.959 0.832 10.171 207 HG13 VAL 25 3HG1 VAL 25 10.376 1.726 8.767 208 HG21 VAL 25 3HG2 VAL 25 7.880 3.390 10.079 209 HG22 VAL 25 1HG2 VAL 25 8.418 2.061 9.051 210 HG23 VAL 25 2HG2 VAL 25 7.777 1.727 10.659 211 H ASP 26 H ASP 26 11.580 0.201 12.322 212 HA ASP 26 HA ASP 26 13.453 1.968 13.734 213 HB2 ASP 26 2HB ASP 26 12.628 -0.415 14.560 214 HB3 ASP 26 3HB ASP 26 13.921 -0.970 13.500 215 H GLU 27 H GLU 27 15.817 1.478 13.283 216 HA GLU 27 HA GLU 27 16.205 1.596 10.399 217 HB2 GLU 27 2HB GLU 27 18.117 2.097 12.686 218 HB3 GLU 27 3HB GLU 27 18.513 2.299 10.985 219 HG2 GLU 27 2HG GLU 27 16.963 4.091 10.756 220 HG3 GLU 27 3HG GLU 27 16.301 3.796 12.363 221 H VAL 28 H VAL 28 18.346 0.560 9.623 222 HA VAL 28 HA VAL 28 18.079 -2.226 9.776 223 HB VAL 28 HB VAL 28 20.376 -2.265 8.700 224 HG11 VAL 28 1HG1 VAL 28 18.311 -0.487 7.406 225 HG12 VAL 28 2HG1 VAL 28 19.560 -1.423 6.583 226 HG13 VAL 28 3HG1 VAL 28 18.256 -2.249 7.437 227 HG21 VAL 28 3HG2 VAL 28 21.494 -0.300 8.155 228 HG22 VAL 28 1HG2 VAL 28 20.073 0.704 8.444 229 HG23 VAL 28 2HG2 VAL 28 20.947 0.001 9.805 230 HA PRO 29 HA PRO 29 20.324 -3.445 13.346 231 HB2 PRO 29 2HB PRO 29 21.418 -5.786 12.512 232 HB3 PRO 29 3HB PRO 29 19.695 -5.601 12.861 233 HG2 PRO 29 2HG PRO 29 21.109 -5.559 10.222 234 HG3 PRO 29 3HG PRO 29 19.586 -6.352 10.663 235 HD2 PRO 29 2HD PRO 29 19.669 -3.992 9.338 236 HD3 PRO 29 3HD PRO 29 18.370 -4.403 10.477 237 H ASP 30 H ASP 30 22.559 -4.309 14.020 238 HA ASP 30 HA ASP 30 24.518 -2.458 13.255 239 HB2 ASP 30 2HB ASP 30 24.893 -5.130 14.626 240 HB3 ASP 30 3HB ASP 30 26.071 -3.821 14.588 241 H GLY 31 H GLY 31 23.543 -5.409 11.815 242 HA2 GLY 31 2HA GLY 31 24.357 -5.604 9.460 243 HA3 GLY 31 3HA GLY 31 25.969 -5.390 10.126 244 H ALA 32 H ALA 32 24.916 -7.095 12.487 245 HA ALA 32 HA ALA 32 25.055 -9.712 11.150 246 HB1 ALA 32 1HB ALA 32 26.426 -9.451 13.759 247 HB2 ALA 32 2HB ALA 32 26.829 -10.443 12.357 248 HB3 ALA 32 3HB ALA 32 27.217 -8.723 12.361 249 H VAL 33 H VAL 33 22.879 -8.073 12.412 250 HA VAL 33 HA VAL 33 22.142 -9.761 14.688 251 HB VAL 33 HB VAL 33 20.532 -7.433 13.681 252 HG11 VAL 33 1HG1 VAL 33 19.261 -7.914 15.435 253 HG12 VAL 33 2HG1 VAL 33 20.317 -9.270 15.834 254 HG13 VAL 33 3HG1 VAL 33 20.639 -7.672 16.508 255 HG21 VAL 33 3HG2 VAL 33 21.780 -6.013 15.287 256 HG22 VAL 33 1HG2 VAL 33 22.927 -7.334 15.510 257 HG23 VAL 33 2HG2 VAL 33 22.765 -6.563 13.932 258 H LYS 34 H LYS 34 22.106 -10.660 11.854 259 HA LYS 34 HA LYS 34 20.785 -11.832 10.414 260 HB2 LYS 34 2HB LYS 34 19.228 -12.257 12.970 261 HB3 LYS 34 3HB LYS 34 18.954 -13.153 11.482 262 HG2 LYS 34 2HG LYS 34 21.533 -13.119 13.037 263 HG3 LYS 34 3HG LYS 34 20.317 -14.397 13.098 264 HD2 LYS 34 2HD LYS 34 20.664 -14.365 10.478 265 HD3 LYS 34 3HD LYS 34 22.231 -13.688 10.930 266 HE2 LYS 34 2HE LYS 34 22.481 -15.647 12.504 267 HE3 LYS 34 3HE LYS 34 21.057 -16.343 11.732 268 HZ1 LYS 34 3HZ LYS 34 22.246 -16.967 9.973 269 HZ2 LYS 34 1HZ LYS 34 23.624 -16.662 10.907 270 HZ3 LYS 34 2HZ LYS 34 23.040 -15.478 9.850 271 HA PRO 35 HA PRO 35 17.851 -8.272 9.917 272 HB2 PRO 35 2HB PRO 35 18.611 -7.702 7.374 273 HB3 PRO 35 3HB PRO 35 19.431 -7.039 8.793 274 HG2 PRO 35 2HG PRO 35 20.207 -9.361 7.070 275 HG3 PRO 35 3HG PRO 35 21.226 -8.070 7.733 276 HD2 PRO 35 2HD PRO 35 21.094 -10.537 8.843 277 HD3 PRO 35 3HD PRO 35 21.362 -9.069 9.806 278 HA PRO 36 HA PRO 36 14.778 -10.446 7.646 279 HB2 PRO 36 2HB PRO 36 13.520 -8.461 6.287 280 HB3 PRO 36 3HB PRO 36 13.363 -8.677 8.034 281 HG2 PRO 36 2HG PRO 36 15.105 -6.780 6.509 282 HG3 PRO 36 3HG PRO 36 14.136 -6.485 7.964 283 HD2 PRO 36 2HD PRO 36 16.809 -6.910 8.055 284 HD3 PRO 36 3HD PRO 36 15.717 -7.419 9.358 285 H THR 37 H THR 37 13.824 -10.735 5.395 286 HA THR 37 HA THR 37 15.980 -10.512 3.397 287 HB THR 37 HB THR 37 15.662 -12.822 3.847 288 HG1 THR 37 HG1 THR 37 14.686 -13.518 1.801 289 HG21 THR 37 3HG2 THR 37 13.512 -12.675 5.004 290 HG22 THR 37 1HG2 THR 37 13.471 -13.920 3.757 291 HG23 THR 37 2HG2 THR 37 12.700 -12.360 3.471 292 H ASN 38 H ASN 38 12.619 -9.975 4.090 293 HA ASN 38 HA ASN 38 12.369 -8.330 1.727 294 HB2 ASN 38 2HB ASN 38 10.532 -9.458 0.727 295 HB3 ASN 38 3HB ASN 38 11.752 -10.693 1.024 296 HD21 ASN 38 1HD2 ASN 38 8.571 -10.117 1.157 297 HD22 ASN 38 2HD2 ASN 38 8.109 -11.211 2.413 298 H LYS 39 H LYS 39 12.280 -8.093 4.679 299 HA LYS 39 HA LYS 39 9.772 -6.601 4.826 300 HB2 LYS 39 2HB LYS 39 10.639 -8.385 7.098 301 HB3 LYS 39 3HB LYS 39 9.118 -7.518 6.925 302 HG2 LYS 39 2HG LYS 39 8.514 -8.966 5.044 303 HG3 LYS 39 3HG LYS 39 10.030 -9.847 5.247 304 HD2 LYS 39 2HD LYS 39 9.222 -10.202 7.679 305 HD3 LYS 39 3HD LYS 39 7.633 -9.767 7.044 306 HE2 LYS 39 2HE LYS 39 7.595 -12.051 6.798 307 HE3 LYS 39 3HE LYS 39 8.206 -11.554 5.221 308 HZ1 LYS 39 3HZ LYS 39 9.692 -13.177 5.779 309 HZ2 LYS 39 1HZ LYS 39 9.624 -12.850 7.437 310 HZ3 LYS 39 2HZ LYS 39 10.495 -11.828 6.410 311 H LEU 40 H LEU 40 9.759 -5.357 7.037 312 HA LEU 40 HA LEU 40 12.478 -4.350 7.554 313 HB2 LEU 40 2HB LEU 40 11.146 -2.136 8.011 314 HB3 LEU 40 3HB LEU 40 11.664 -2.573 6.384 315 HG LEU 40 HG LEU 40 8.935 -3.378 7.264 316 HD11 LEU 40 1HD1 LEU 40 8.532 -0.943 6.060 317 HD12 LEU 40 2HD1 LEU 40 9.887 -0.630 7.143 318 HD13 LEU 40 3HD1 LEU 40 8.379 -1.282 7.784 319 HD21 LEU 40 3HD2 LEU 40 8.647 -3.751 5.086 320 HD22 LEU 40 1HD2 LEU 40 10.390 -3.537 4.920 321 HD23 LEU 40 2HD2 LEU 40 9.305 -2.173 4.649 322 HA PRO 41 HA PRO 41 11.706 -4.799 11.849 323 HB2 PRO 41 2HB PRO 41 12.957 -2.625 12.889 324 HB3 PRO 41 3HB PRO 41 13.831 -4.005 12.214 325 HG2 PRO 41 2HG PRO 41 13.201 -1.362 10.956 326 HG3 PRO 41 3HG PRO 41 14.711 -2.291 10.911 327 HD2 PRO 41 2HD PRO 41 12.944 -2.284 8.860 328 HD3 PRO 41 3HD PRO 41 13.945 -3.696 9.253 329 H ILE 42 H ILE 42 9.819 -4.530 12.847 330 HA ILE 42 HA ILE 42 8.627 -1.835 12.904 331 HB ILE 42 HB ILE 42 7.088 -4.430 12.939 332 HG12 ILE 42 2HG1 ILE 42 8.162 -4.161 10.767 333 HG13 ILE 42 3HG1 ILE 42 6.433 -3.862 10.623 334 HG21 ILE 42 1HG2 ILE 42 5.551 -2.210 12.089 335 HG22 ILE 42 2HG2 ILE 42 5.366 -3.176 13.552 336 HG23 ILE 42 3HG2 ILE 42 6.396 -1.745 13.565 337 HD11 ILE 42 3HD1 ILE 42 7.614 -1.377 11.156 338 HD12 ILE 42 1HD1 ILE 42 8.627 -2.165 9.947 339 HD13 ILE 42 2HD1 ILE 42 6.904 -1.941 9.644 340 H PHE 43 H PHE 43 9.013 -1.075 14.890 341 HA PHE 43 HA PHE 43 9.056 -2.813 17.196 342 HB2 PHE 43 2HB PHE 43 10.612 -0.872 16.926 343 HB3 PHE 43 3HB PHE 43 9.230 0.204 17.105 344 HD1 PHE 43 HD1 PHE 43 10.387 -2.848 18.916 345 HD2 PHE 43 HD2 PHE 43 9.257 1.249 19.141 346 HE1 PHE 43 HE1 PHE 43 10.662 -2.910 21.360 347 HE2 PHE 43 HE2 PHE 43 9.532 1.194 21.585 348 HZ PHE 43 HZ PHE 43 10.236 -0.887 22.698 349 H PHE 44 H PHE 44 7.130 -3.549 17.856 350 HA PHE 44 HA PHE 44 4.699 -2.104 17.592 351 HB2 PHE 44 2HB PHE 44 5.520 -4.646 18.942 352 HB3 PHE 44 3HB PHE 44 3.948 -3.947 19.315 353 HD1 PHE 44 HD2 PHE 44 2.995 -2.930 16.804 354 HD2 PHE 44 HD1 PHE 44 5.197 -6.484 17.604 355 HE1 PHE 44 HE2 PHE 44 2.054 -3.965 14.780 356 HE2 PHE 44 HE1 PHE 44 4.260 -7.524 15.580 357 HZ PHE 44 HZ PHE 44 2.686 -6.265 14.166 358 H PHE 45 H PHE 45 4.259 -0.324 18.707 359 HA PHE 45 HA PHE 45 5.488 0.287 21.211 360 HB2 PHE 45 2HB PHE 45 3.651 1.624 19.332 361 HB3 PHE 45 3HB PHE 45 3.449 2.083 21.020 362 HD1 PHE 45 HD1 PHE 45 6.085 2.134 22.110 363 HD2 PHE 45 HD2 PHE 45 4.783 3.282 18.224 364 HE1 PHE 45 HE1 PHE 45 8.002 3.664 21.924 365 HE2 PHE 45 HE2 PHE 45 6.699 4.813 18.031 366 HZ PHE 45 HZ PHE 45 8.312 5.006 19.882 367 H GLY 46 H GLY 46 4.555 0.418 23.258 368 HA2 GLY 46 2HA GLY 46 2.833 0.156 24.846 369 HA3 GLY 46 3HA GLY 46 1.837 -0.595 23.608 370 H THR 47 H THR 47 3.789 -2.493 22.724 371 HA THR 47 HA THR 47 3.785 -4.291 25.058 372 HB THR 47 HB THR 47 3.641 -6.162 23.542 373 HG1 THR 47 HG1 THR 47 3.388 -5.641 21.228 374 HG21 THR 47 3HG2 THR 47 1.657 -4.135 22.532 375 HG22 THR 47 1HG2 THR 47 1.559 -4.835 24.147 376 HG23 THR 47 2HG2 THR 47 1.438 -5.874 22.727 377 H HIS 48 H HIS 48 5.794 -2.497 23.095 378 HA HIS 48 HA HIS 48 8.041 -2.433 22.742 379 HB2 HIS 48 2HB HIS 48 7.985 -4.165 25.218 380 HB3 HIS 48 3HB HIS 48 9.464 -3.518 24.513 381 HD1 HIS 48 HD1 HIS 48 8.777 -0.651 23.984 382 HD2 HIS 48 HD2 HIS 48 7.530 -2.650 27.406 383 HE1 HIS 48 HE1 HIS 48 8.321 1.145 25.684 384 H GLU 49 H GLU 49 6.428 -4.541 21.463 385 HA GLU 49 HA GLU 49 8.309 -6.761 21.236 386 HB2 GLU 49 2HB GLU 49 5.611 -6.381 19.926 387 HB3 GLU 49 3HB GLU 49 6.571 -7.853 19.913 388 HG2 GLU 49 2HG GLU 49 6.250 -8.190 22.235 389 HG3 GLU 49 3HG GLU 49 5.559 -6.581 22.438 390 H THR 50 H THR 50 8.461 -7.624 18.857 391 HA THR 50 HA THR 50 8.754 -5.466 16.918 392 HB THR 50 HB THR 50 10.935 -5.369 17.815 393 HG1 THR 50 HG1 THR 50 11.560 -5.449 15.795 394 HG21 THR 50 3HG2 THR 50 11.432 -7.106 19.173 395 HG22 THR 50 1HG2 THR 50 12.197 -7.761 17.726 396 HG23 THR 50 2HG2 THR 50 10.569 -8.272 18.170 397 H ALA 51 H ALA 51 8.023 -6.121 15.009 398 HA ALA 51 HA ALA 51 8.238 -8.969 14.305 399 HB1 ALA 51 1HB ALA 51 6.005 -8.966 13.391 400 HB2 ALA 51 2HB ALA 51 5.948 -8.465 15.081 401 HB3 ALA 51 3HB ALA 51 5.805 -7.262 13.800 402 H PHE 52 H PHE 52 8.575 -9.429 12.143 403 HA PHE 52 HA PHE 52 9.464 -7.154 10.534 404 HB2 PHE 52 2HB PHE 52 10.009 -10.111 10.429 405 HB3 PHE 52 3HB PHE 52 10.390 -9.067 9.063 406 HD1 PHE 52 HD1 PHE 52 11.516 -6.710 10.121 407 HD2 PHE 52 HD2 PHE 52 11.900 -10.691 11.577 408 HE1 PHE 52 HE1 PHE 52 13.658 -6.115 11.174 409 HE2 PHE 52 HE2 PHE 52 14.042 -10.102 12.634 410 HZ PHE 52 HZ PHE 52 14.923 -7.811 12.434 411 H LEU 53 H LEU 53 8.145 -6.345 9.056 412 HA LEU 53 HA LEU 53 6.495 -8.140 7.453 413 HB2 LEU 53 2HB LEU 53 5.299 -5.665 8.664 414 HB3 LEU 53 3HB LEU 53 4.477 -6.966 7.805 415 HG LEU 53 HG LEU 53 5.817 -7.395 10.463 416 HD11 LEU 53 1HD1 LEU 53 4.227 -6.247 11.491 417 HD12 LEU 53 2HD1 LEU 53 3.010 -7.291 10.757 418 HD13 LEU 53 3HD1 LEU 53 3.509 -5.811 9.940 419 HD21 LEU 53 3HD2 LEU 53 4.648 -9.401 10.536 420 HD22 LEU 53 1HD2 LEU 53 5.133 -9.285 8.844 421 HD23 LEU 53 2HD2 LEU 53 3.483 -8.882 9.317 422 H GLY 54 H GLY 54 6.455 -7.570 5.360 423 HA2 GLY 54 2HA GLY 54 8.127 -5.578 4.344 424 HA3 GLY 54 3HA GLY 54 6.857 -6.385 3.437 425 HA PRO 55 HA PRO 55 5.876 -1.826 4.011 426 HB2 PRO 55 2HB PRO 55 5.792 -1.207 1.369 427 HB3 PRO 55 3HB PRO 55 7.274 -1.122 2.329 428 HG2 PRO 55 2HG PRO 55 6.340 -3.278 0.473 429 HG3 PRO 55 3HG PRO 55 7.961 -2.580 0.651 430 HD2 PRO 55 2HD PRO 55 7.267 -4.953 1.755 431 HD3 PRO 55 3HD PRO 55 8.443 -3.857 2.508 432 H LYS 56 H LYS 56 4.729 -4.149 1.580 433 HA LYS 56 HA LYS 56 2.184 -2.970 1.215 434 HB2 LYS 56 2HB LYS 56 3.381 -5.644 0.599 435 HB3 LYS 56 3HB LYS 56 1.644 -5.421 0.438 436 HG2 LYS 56 2HG LYS 56 1.862 -3.924 -1.305 437 HG3 LYS 56 3HG LYS 56 3.520 -3.502 -0.871 438 HD2 LYS 56 2HD LYS 56 3.760 -4.822 -2.783 439 HD3 LYS 56 3HD LYS 56 4.080 -5.941 -1.456 440 HE2 LYS 56 2HE LYS 56 1.725 -6.696 -1.587 441 HE3 LYS 56 3HE LYS 56 1.496 -5.646 -2.985 442 HZ1 LYS 56 3HZ LYS 56 2.090 -8.139 -3.307 443 HZ2 LYS 56 1HZ LYS 56 3.673 -7.617 -3.017 444 HZ3 LYS 56 2HZ LYS 56 2.792 -6.970 -4.308 445 H ASP 57 H ASP 57 3.497 -4.719 3.794 446 HA ASP 57 HA ASP 57 0.926 -5.734 4.722 447 HB2 ASP 57 2HB ASP 57 3.775 -6.141 5.501 448 HB3 ASP 57 3HB ASP 57 2.543 -6.374 6.738 449 H ILE 58 H ILE 58 3.168 -3.143 5.322 450 HA ILE 58 HA ILE 58 1.713 -2.319 7.722 451 HB ILE 58 HB ILE 58 3.483 -0.559 7.895 452 HG12 ILE 58 2HG1 ILE 58 4.826 -2.122 5.682 453 HG13 ILE 58 3HG1 ILE 58 4.034 -0.567 5.447 454 HG21 ILE 58 1HG2 ILE 58 3.996 -3.481 8.003 455 HG22 ILE 58 2HG2 ILE 58 5.364 -2.393 8.229 456 HG23 ILE 58 3HG2 ILE 58 3.968 -2.286 9.301 457 HD11 ILE 58 3HD1 ILE 58 6.370 -0.187 5.638 458 HD12 ILE 58 1HD1 ILE 58 5.611 0.397 7.118 459 HD13 ILE 58 2HD1 ILE 58 6.465 -1.146 7.115 460 H PHE 59 H PHE 59 0.453 -0.533 7.830 461 HA PHE 59 HA PHE 59 0.146 1.041 5.358 462 HB2 PHE 59 2HB PHE 59 -1.849 -0.246 7.118 463 HB3 PHE 59 3HB PHE 59 -2.243 1.389 6.595 464 HD1 PHE 59 HD1 PHE 59 -1.050 -1.859 5.209 465 HD2 PHE 59 HD2 PHE 59 -3.345 1.673 4.597 466 HE1 PHE 59 HE1 PHE 59 -1.834 -2.746 3.052 467 HE2 PHE 59 HE2 PHE 59 -4.134 0.791 2.440 468 HZ PHE 59 HZ PHE 59 -3.379 -1.422 1.665 469 HA PRO 60 HA PRO 60 0.851 4.748 7.594 470 HB2 PRO 60 2HB PRO 60 -0.985 6.447 6.539 471 HB3 PRO 60 3HB PRO 60 0.439 5.898 5.648 472 HG2 PRO 60 2HG PRO 60 -2.382 4.909 5.505 473 HG3 PRO 60 3HG PRO 60 -1.239 5.223 4.187 474 HD2 PRO 60 2HD PRO 60 -1.729 2.732 5.128 475 HD3 PRO 60 3HD PRO 60 -0.145 3.217 4.490 476 H TYR 61 H TYR 61 0.366 5.359 9.603 477 HA TYR 61 HA TYR 61 -1.958 4.490 10.941 478 HB2 TYR 61 2HB TYR 61 -0.944 5.256 12.827 479 HB3 TYR 61 3HB TYR 61 0.462 5.333 11.771 480 HD1 TYR 61 HD1 TYR 61 0.878 7.586 10.562 481 HD2 TYR 61 HD2 TYR 61 -1.649 7.164 13.959 482 HE1 TYR 61 HE1 TYR 61 1.091 9.995 11.012 483 HE2 TYR 61 HE2 TYR 61 -1.444 9.571 14.418 484 HH TYR 61 HH TYR 61 0.791 11.447 13.433 485 H SER 62 H SER 62 -1.417 7.139 8.901 486 HA SER 62 HA SER 62 -3.188 9.033 10.038 487 HB2 SER 62 2HB SER 62 -1.391 9.326 8.169 488 HB3 SER 62 3HB SER 62 -2.694 8.852 7.080 489 HG SER 62 HG SER 62 -3.532 10.759 7.311 490 H GLU 63 H GLU 63 -3.704 6.113 8.345 491 HA GLU 63 HA GLU 63 -6.434 6.856 7.593 492 HB2 GLU 63 2HB GLU 63 -4.636 5.450 6.190 493 HB3 GLU 63 3HB GLU 63 -5.387 4.125 7.069 494 HG2 GLU 63 2HG GLU 63 -6.597 4.224 5.100 495 HG3 GLU 63 3HG GLU 63 -7.610 5.100 6.245 496 H ASN 64 H ASN 64 -4.637 4.750 9.744 497 HA ASN 64 HA ASN 64 -6.974 3.353 10.678 498 HB2 ASN 64 2HB ASN 64 -4.162 3.447 11.796 499 HB3 ASN 64 3HB ASN 64 -5.430 2.341 12.318 500 HD21 ASN 64 1HD2 ASN 64 -5.565 0.447 11.341 501 HD22 ASN 64 2HD2 ASN 64 -4.792 0.021 9.856 502 H LYS 65 H LYS 65 -4.918 5.980 11.831 503 HA LYS 65 HA LYS 65 -5.940 6.269 14.402 504 HB2 LYS 65 2HB LYS 65 -4.961 8.417 14.426 505 HB3 LYS 65 3HB LYS 65 -3.952 7.461 13.348 506 HG2 LYS 65 2HG LYS 65 -5.178 8.436 11.423 507 HG3 LYS 65 3HG LYS 65 -6.041 9.479 12.557 508 HD2 LYS 65 2HD LYS 65 -3.054 9.403 12.126 509 HD3 LYS 65 3HD LYS 65 -4.156 10.656 11.552 510 HE2 LYS 65 2HE LYS 65 -4.770 11.113 13.918 511 HE3 LYS 65 3HE LYS 65 -3.536 9.958 14.420 512 HZ1 LYS 65 3HZ LYS 65 -2.121 11.647 14.377 513 HZ2 LYS 65 1HZ LYS 65 -3.241 12.676 13.634 514 HZ3 LYS 65 2HZ LYS 65 -2.263 11.669 12.691 515 H GLU 66 H GLU 66 -7.341 7.061 11.341 516 HA GLU 66 HA GLU 66 -9.367 8.790 12.493 517 HB2 GLU 66 2HB GLU 66 -8.360 9.137 10.199 518 HB3 GLU 66 3HB GLU 66 -9.247 7.712 9.677 519 HG2 GLU 66 2HG GLU 66 -11.334 8.761 10.046 520 HG3 GLU 66 3HG GLU 66 -10.583 10.103 10.908 521 H LYS 67 H LYS 67 -8.916 5.468 11.860 522 HA LYS 67 HA LYS 67 -11.667 4.755 11.528 523 HB2 LYS 67 2HB LYS 67 -9.191 3.155 12.166 524 HB3 LYS 67 3HB LYS 67 -10.783 2.422 12.022 525 HG2 LYS 67 2HG LYS 67 -9.702 4.109 9.806 526 HG3 LYS 67 3HG LYS 67 -9.188 2.430 9.986 527 HD2 LYS 67 2HD LYS 67 -12.101 3.030 10.070 528 HD3 LYS 67 3HD LYS 67 -11.280 3.088 8.509 529 HE2 LYS 67 2HE LYS 67 -10.668 0.830 8.622 530 HE3 LYS 67 3HE LYS 67 -10.977 0.742 10.356 531 HZ1 LYS 67 3HZ LYS 67 -13.152 0.374 10.033 532 HZ2 LYS 67 1HZ LYS 67 -12.677 -0.123 8.487 533 HZ3 LYS 67 2HZ LYS 67 -13.267 1.443 8.728 534 H TYR 68 H TYR 68 -9.384 4.066 14.186 535 HA TYR 68 HA TYR 68 -11.607 4.427 16.076 536 HB2 TYR 68 2HB TYR 68 -9.612 2.351 16.764 537 HB3 TYR 68 3HB TYR 68 -11.347 2.388 17.055 538 HD1 TYR 68 HD2 TYR 68 -12.909 1.565 15.376 539 HD2 TYR 68 HD1 TYR 68 -8.709 1.440 14.706 540 HE1 TYR 68 HE2 TYR 68 -13.260 0.007 13.507 541 HE2 TYR 68 HE1 TYR 68 -9.049 -0.119 12.833 542 HH TYR 68 HH TYR 68 -10.746 -1.749 12.080 543 H GLY 69 H GLY 69 -8.247 4.733 15.308 544 HA2 GLY 69 2HA GLY 69 -6.663 6.143 16.222 545 HA3 GLY 69 3HA GLY 69 -7.883 6.709 17.352 546 H LYS 70 H LYS 70 -8.244 3.671 17.951 547 HA LYS 70 HA LYS 70 -5.808 3.124 19.436 548 HB2 LYS 70 2HB LYS 70 -6.605 3.392 21.546 549 HB3 LYS 70 3HB LYS 70 -7.645 4.570 20.757 550 HG2 LYS 70 2HG LYS 70 -9.327 2.687 20.492 551 HG3 LYS 70 3HG LYS 70 -8.318 1.775 21.617 552 HD2 LYS 70 2HD LYS 70 -9.918 2.770 22.993 553 HD3 LYS 70 3HD LYS 70 -8.520 3.837 23.144 554 HE2 LYS 70 2HE LYS 70 -9.488 5.374 21.538 555 HE3 LYS 70 3HE LYS 70 -10.851 4.286 21.281 556 HZ1 LYS 70 3HZ LYS 70 -11.281 6.187 22.819 557 HZ2 LYS 70 1HZ LYS 70 -10.203 5.481 23.916 558 HZ3 LYS 70 2HZ LYS 70 -11.616 4.663 23.474 559 HA PRO 71 HA PRO 71 -6.848 -1.076 18.708 560 HB2 PRO 71 2HB PRO 71 -5.961 -2.303 20.961 561 HB3 PRO 71 3HB PRO 71 -4.873 -1.647 19.732 562 HG2 PRO 71 2HG PRO 71 -5.727 -0.450 22.340 563 HG3 PRO 71 3HG PRO 71 -4.114 -0.493 21.603 564 HD2 PRO 71 2HD PRO 71 -5.704 1.696 21.501 565 HD3 PRO 71 3HD PRO 71 -4.569 1.279 20.201 566 H ASN 72 H ASN 72 -8.473 -2.545 19.004 567 HA ASN 72 HA ASN 72 -10.493 -1.849 21.004 568 HB2 ASN 72 2HB ASN 72 -11.069 -2.080 18.542 569 HB3 ASN 72 3HB ASN 72 -10.782 -3.808 18.724 570 HD21 ASN 72 1HD2 ASN 72 -13.116 -1.561 18.629 571 HD22 ASN 72 2HD2 ASN 72 -14.332 -2.337 19.580 572 H LYS 73 H LYS 73 -9.055 -4.815 19.638 573 HA LYS 73 HA LYS 73 -9.383 -6.070 22.285 574 HB2 LYS 73 2HB LYS 73 -9.729 -7.209 19.523 575 HB3 LYS 73 3HB LYS 73 -9.394 -8.250 20.901 576 HG2 LYS 73 2HG LYS 73 -11.415 -7.144 22.002 577 HG3 LYS 73 3HG LYS 73 -11.801 -6.538 20.390 578 HD2 LYS 73 2HD LYS 73 -11.276 -9.452 20.890 579 HD3 LYS 73 3HD LYS 73 -12.875 -8.747 21.137 580 HE2 LYS 73 2HE LYS 73 -13.129 -8.234 18.880 581 HE3 LYS 73 3HE LYS 73 -11.398 -8.328 18.565 582 HZ1 LYS 73 3HZ LYS 73 -12.480 -10.241 17.646 583 HZ2 LYS 73 1HZ LYS 73 -13.219 -10.605 19.123 584 HZ3 LYS 73 2HZ LYS 73 -11.541 -10.740 18.962 585 H ARG 74 H ARG 74 -7.106 -4.545 21.350 586 HA ARG 74 HA ARG 74 -5.075 -6.678 21.242 587 HB2 ARG 74 2HB ARG 74 -5.050 -3.890 20.093 588 HB3 ARG 74 3HB ARG 74 -3.588 -4.849 20.278 589 HG2 ARG 74 2HG ARG 74 -5.997 -5.614 18.640 590 HG3 ARG 74 3HG ARG 74 -4.472 -4.984 18.013 591 HD2 ARG 74 2HD ARG 74 -3.846 -7.119 17.823 592 HD3 ARG 74 3HD ARG 74 -3.669 -7.096 19.577 593 HE ARG 74 HE ARG 74 -6.341 -7.691 18.809 594 HH11 ARG 74 1HH1 ARG 74 -3.157 -9.070 19.096 595 HH12 ARG 74 2HH1 ARG 74 -3.736 -10.688 19.316 596 HH21 ARG 74 1HH2 ARG 74 -7.115 -9.817 19.097 597 HH22 ARG 74 2HH2 ARG 74 -5.987 -11.112 19.315 598 H LYS 75 H LYS 75 -4.027 -6.933 23.090 599 HA LYS 75 HA LYS 75 -4.235 -5.344 25.338 600 HB2 LYS 75 2HB LYS 75 -2.197 -7.354 24.444 601 HB3 LYS 75 3HB LYS 75 -1.953 -6.463 25.941 602 HG2 LYS 75 2HG LYS 75 -4.560 -7.826 25.500 603 HG3 LYS 75 3HG LYS 75 -3.148 -8.797 25.924 604 HD2 LYS 75 2HD LYS 75 -3.965 -8.319 28.013 605 HD3 LYS 75 3HD LYS 75 -2.856 -6.964 27.789 606 HE2 LYS 75 2HE LYS 75 -4.583 -5.463 27.366 607 HE3 LYS 75 3HE LYS 75 -5.726 -6.743 26.962 608 HZ1 LYS 75 3HZ LYS 75 -5.666 -7.417 29.320 609 HZ2 LYS 75 1HZ LYS 75 -6.270 -5.852 29.098 610 HZ3 LYS 75 2HZ LYS 75 -4.692 -6.077 29.663 611 H GLY 76 H GLY 76 -2.938 -3.774 26.307 612 HA2 GLY 76 2HA GLY 76 -1.026 -2.347 26.387 613 HA3 GLY 76 3HA GLY 76 -0.784 -2.628 24.669 614 H PHE 77 H PHE 77 -4.029 -2.115 25.305 615 HA PHE 77 HA PHE 77 -4.202 0.232 23.815 616 HB2 PHE 77 2HB PHE 77 -6.508 0.393 24.632 617 HB3 PHE 77 3HB PHE 77 -6.111 -1.266 24.195 618 HD1 PHE 77 HD1 PHE 77 -6.742 1.040 26.980 619 HD2 PHE 77 HD2 PHE 77 -6.041 -3.000 25.836 620 HE1 PHE 77 HE1 PHE 77 -7.450 0.288 29.213 621 HE2 PHE 77 HE2 PHE 77 -6.749 -3.758 28.067 622 HZ PHE 77 HZ PHE 77 -7.455 -2.113 29.759 623 H ASN 78 H ASN 78 -4.164 2.368 24.286 624 HA ASN 78 HA ASN 78 -3.704 4.290 25.411 625 HB2 ASN 78 2HB ASN 78 -5.313 2.704 27.346 626 HB3 ASN 78 3HB ASN 78 -4.467 4.116 27.972 627 HD21 ASN 78 1HD2 ASN 78 -4.659 5.999 26.191 628 HD22 ASN 78 2HD2 ASN 78 -6.297 6.358 25.777 629 H GLU 79 H GLU 79 -1.804 1.948 25.440 630 HA GLU 79 HA GLU 79 -0.217 2.710 27.801 631 HB2 GLU 79 2HB GLU 79 -0.985 0.224 27.195 632 HB3 GLU 79 3HB GLU 79 0.477 0.289 26.220 633 HG2 GLU 79 2HG GLU 79 0.175 0.432 29.183 634 HG3 GLU 79 3HG GLU 79 1.226 -0.597 28.212 635 H GLY 80 H GLY 80 -0.032 4.547 25.911 636 HA2 GLY 80 2HA GLY 80 2.123 5.534 25.260 637 HA3 GLY 80 3HA GLY 80 2.547 3.965 24.590 638 H LEU 81 H LEU 81 -0.675 4.596 23.991 639 HA LEU 81 HA LEU 81 -0.304 4.794 21.201 640 HB2 LEU 81 2HB LEU 81 -2.306 3.822 22.076 641 HB3 LEU 81 3HB LEU 81 -2.704 5.302 22.948 642 HG LEU 81 HG LEU 81 -2.649 6.204 20.386 643 HD11 LEU 81 1HD1 LEU 81 -2.312 3.754 19.716 644 HD12 LEU 81 2HD1 LEU 81 -3.570 4.672 18.889 645 HD13 LEU 81 3HD1 LEU 81 -4.003 3.538 20.169 646 HD21 LEU 81 3HD2 LEU 81 -5.021 6.305 20.542 647 HD22 LEU 81 1HD2 LEU 81 -4.382 6.497 22.175 648 HD23 LEU 81 2HD2 LEU 81 -5.067 4.951 21.673 649 H TRP 82 H TRP 82 -0.719 7.180 23.720 650 HA TRP 82 HA TRP 82 -1.207 9.364 21.923 651 HB2 TRP 82 2HB TRP 82 -2.096 9.579 24.126 652 HB3 TRP 82 3HB TRP 82 -0.535 9.224 24.862 653 HD1 TRP 82 HD1 TRP 82 -2.502 12.056 23.229 654 HE1 TRP 82 HE1 TRP 82 -1.281 14.278 23.675 655 HE3 TRP 82 HE3 TRP 82 1.796 10.219 25.298 656 HZ2 TRP 82 HZ2 TRP 82 1.179 15.137 24.759 657 HZ3 TRP 82 HZ3 TRP 82 3.534 11.808 26.013 658 HH2 TRP 82 HH2 TRP 82 3.230 14.215 25.747 659 H GLU 83 H GLU 83 1.542 7.640 22.867 660 HA GLU 83 HA GLU 83 3.418 9.818 22.632 661 HB2 GLU 83 2HB GLU 83 3.760 6.831 22.878 662 HB3 GLU 83 3HB GLU 83 5.115 7.937 22.707 663 HG2 GLU 83 2HG GLU 83 4.765 8.891 24.792 664 HG3 GLU 83 3HG GLU 83 3.100 8.319 24.882 665 H ILE 84 H ILE 84 1.965 7.475 20.544 666 HA ILE 84 HA ILE 84 3.880 7.421 18.482 667 HB ILE 84 HB ILE 84 1.853 5.893 18.778 668 HG12 ILE 84 2HG1 ILE 84 2.425 7.055 16.043 669 HG13 ILE 84 3HG1 ILE 84 3.363 5.797 16.840 670 HG21 ILE 84 1HG2 ILE 84 0.352 7.713 16.985 671 HG22 ILE 84 2HG2 ILE 84 -0.237 6.543 18.164 672 HG23 ILE 84 3HG2 ILE 84 0.378 8.105 18.704 673 HD11 ILE 84 3HD1 ILE 84 2.000 4.223 16.096 674 HD12 ILE 84 1HD1 ILE 84 0.583 5.073 16.712 675 HD13 ILE 84 2HD1 ILE 84 1.217 5.459 15.112 676 H ASP 85 H ASP 85 1.605 9.817 19.439 677 HA ASP 85 HA ASP 85 2.114 11.315 16.952 678 HB2 ASP 85 2HB ASP 85 -0.310 10.640 17.673 679 HB3 ASP 85 3HB ASP 85 -0.146 11.978 18.808 680 H ASN 86 H ASN 86 3.286 11.078 19.914 681 HA ASN 86 HA ASN 86 3.844 13.955 20.092 682 HB2 ASN 86 2HB ASN 86 2.938 12.136 22.317 683 HB3 ASN 86 3HB ASN 86 3.827 13.622 22.639 684 HD21 ASN 86 1HD2 ASN 86 0.927 12.328 21.122 685 HD22 ASN 86 2HD2 ASN 86 -0.030 13.753 21.315 686 H ASN 87 H ASN 87 4.754 11.015 21.894 687 HA ASN 87 HA ASN 87 7.574 11.715 21.411 688 HB2 ASN 87 2HB ASN 87 6.859 11.777 23.789 689 HB3 ASN 87 3HB ASN 87 6.425 10.074 23.678 690 HD21 ASN 87 1HD2 ASN 87 8.011 10.200 25.552 691 HD22 ASN 87 2HD2 ASN 87 9.669 9.906 25.165 692 HA PRO 88 HA PRO 88 6.767 7.773 19.106 693 HB2 PRO 88 2HB PRO 88 8.192 8.497 16.912 694 HB3 PRO 88 3HB PRO 88 6.488 8.912 17.131 695 HG2 PRO 88 2HG PRO 88 8.922 10.590 17.603 696 HG3 PRO 88 3HG PRO 88 7.387 11.036 16.834 697 HD2 PRO 88 2HD PRO 88 7.973 11.679 19.398 698 HD3 PRO 88 3HD PRO 88 6.318 11.337 18.854 699 H LYS 89 H LYS 89 9.419 9.437 20.387 700 HA LYS 89 HA LYS 89 11.189 7.134 19.883 701 HB2 LYS 89 2HB LYS 89 13.090 8.664 20.149 702 HB3 LYS 89 3HB LYS 89 12.042 9.165 18.829 703 HG2 LYS 89 2HG LYS 89 11.349 11.050 19.905 704 HG3 LYS 89 3HG LYS 89 11.570 10.349 21.510 705 HD2 LYS 89 2HD LYS 89 14.006 10.512 21.230 706 HD3 LYS 89 3HD LYS 89 13.767 11.241 19.640 707 HE2 LYS 89 2HE LYS 89 12.935 12.369 22.309 708 HE3 LYS 89 3HE LYS 89 14.197 12.982 21.242 709 HZ1 LYS 89 3HZ LYS 89 11.268 13.031 20.812 710 HZ2 LYS 89 1HZ LYS 89 12.371 13.307 19.558 711 HZ3 LYS 89 2HZ LYS 89 12.333 14.342 20.895 712 H VAL 90 H VAL 90 9.311 7.135 21.967 713 HA VAL 90 HA VAL 90 10.410 8.005 24.432 714 HB VAL 90 HB VAL 90 8.006 7.516 24.122 715 HG11 VAL 90 1HG1 VAL 90 7.257 5.573 23.340 716 HG12 VAL 90 2HG1 VAL 90 8.936 5.110 23.059 717 HG13 VAL 90 3HG1 VAL 90 8.141 4.671 24.571 718 HG21 VAL 90 3HG2 VAL 90 8.708 5.613 26.249 719 HG22 VAL 90 1HG2 VAL 90 9.510 7.180 26.350 720 HG23 VAL 90 2HG2 VAL 90 7.749 7.092 26.318 721 H LYS 91 H LYS 91 10.975 5.258 22.433 722 HA LYS 91 HA LYS 91 11.805 3.324 24.225 723 HB2 LYS 91 2HB LYS 91 13.327 2.549 22.380 724 HB3 LYS 91 3HB LYS 91 11.649 2.780 21.905 725 HG2 LYS 91 2HG LYS 91 12.298 5.027 21.021 726 HG3 LYS 91 3HG LYS 91 13.981 4.590 21.328 727 HD2 LYS 91 2HD LYS 91 13.602 4.082 19.058 728 HD3 LYS 91 3HD LYS 91 13.551 2.532 19.901 729 HE2 LYS 91 2HE LYS 91 11.743 2.665 18.295 730 HE3 LYS 91 3HE LYS 91 11.095 2.654 19.935 731 HZ1 LYS 91 3HZ LYS 91 10.388 4.791 19.771 732 HZ2 LYS 91 1HZ LYS 91 10.275 4.368 18.136 733 HZ3 LYS 91 2HZ LYS 91 11.607 5.250 18.691 734 H PHE 92 H PHE 92 13.405 6.259 23.241 735 HA PHE 92 HA PHE 92 15.844 5.487 24.667 736 HB2 PHE 92 2HB PHE 92 15.194 7.721 22.753 737 HB3 PHE 92 3HB PHE 92 16.665 7.731 23.720 738 HD1 PHE 92 HD1 PHE 92 18.007 5.422 23.610 739 HD2 PHE 92 HD2 PHE 92 15.335 6.875 20.632 740 HE1 PHE 92 HE1 PHE 92 19.122 4.015 21.928 741 HE2 PHE 92 HE2 PHE 92 16.446 5.470 18.946 742 HZ PHE 92 HZ PHE 92 18.342 4.037 19.592 743 H SER 93 H SER 93 13.080 7.571 24.883 744 HA SER 93 HA SER 93 14.066 8.543 27.479 745 HB2 SER 93 2HB SER 93 12.336 10.271 25.730 746 HB3 SER 93 3HB SER 93 13.378 10.744 27.072 747 HG SER 93 HG SER 93 13.979 10.820 24.546 Start of MODEL 11 1 H MET 1 H MET 1 2.018 1.431 -1.723 2 HA MET 1 HA MET 1 1.583 -0.934 -0.353 3 HB2 MET 1 2HB MET 1 2.175 -0.447 -3.271 4 HB3 MET 1 3HB MET 1 1.706 -2.020 -2.639 5 HG2 MET 1 2HG MET 1 -0.429 -1.235 -2.007 6 HG3 MET 1 3HG MET 1 0.037 0.445 -2.259 7 HE1 MET 1 3HE MET 1 -2.472 -1.864 -4.031 8 HE2 MET 1 1HE MET 1 -1.398 -2.654 -5.187 9 HE3 MET 1 2HE MET 1 -1.079 -2.782 -3.457 10 H THR 2 H THR 2 4.175 -0.603 -2.773 11 HA THR 2 HA THR 2 5.802 -2.438 -1.147 12 HB THR 2 HB THR 2 6.499 -1.824 -3.985 13 HG1 THR 2 HG1 THR 2 4.850 -2.934 -4.769 14 HG21 THR 2 3HG2 THR 2 7.947 -3.250 -2.594 15 HG22 THR 2 1HG2 THR 2 7.264 -4.137 -3.956 16 HG23 THR 2 2HG2 THR 2 6.597 -4.355 -2.338 17 H ARG 3 H ARG 3 5.468 0.720 -1.433 18 HA ARG 3 HA ARG 3 8.156 1.557 -2.001 19 HB2 ARG 3 2HB ARG 3 6.040 3.179 -0.594 20 HB3 ARG 3 3HB ARG 3 7.405 3.764 -1.534 21 HG2 ARG 3 2HG ARG 3 5.054 2.249 -2.649 22 HG3 ARG 3 3HG ARG 3 5.272 3.999 -2.720 23 HD2 ARG 3 2HD ARG 3 7.167 1.974 -3.905 24 HD3 ARG 3 3HD ARG 3 5.926 2.839 -4.810 25 HE ARG 3 HE ARG 3 8.459 3.869 -3.916 26 HH11 ARG 3 1HH1 ARG 3 5.216 4.670 -4.898 27 HH12 ARG 3 2HH1 ARG 3 5.622 6.283 -5.384 28 HH21 ARG 3 1HH2 ARG 3 9.005 5.991 -4.552 29 HH22 ARG 3 2HH2 ARG 3 7.778 7.033 -5.188 30 H ASP 4 H ASP 4 9.817 1.726 -0.639 31 HA ASP 4 HA ASP 4 9.700 0.672 1.973 32 HB2 ASP 4 2HB ASP 4 11.998 1.101 2.106 33 HB3 ASP 4 3HB ASP 4 11.723 0.885 0.379 34 H PHE 5 H PHE 5 9.858 1.668 3.991 35 HA PHE 5 HA PHE 5 8.765 4.380 4.063 36 HB2 PHE 5 2HB PHE 5 8.717 2.041 5.896 37 HB3 PHE 5 3HB PHE 5 8.695 3.638 6.638 38 HD1 PHE 5 HD2 PHE 5 6.849 5.206 6.132 39 HD2 PHE 5 HD1 PHE 5 6.820 1.170 4.783 40 HE1 PHE 5 HE2 PHE 5 4.429 5.366 5.718 41 HE2 PHE 5 HE1 PHE 5 4.400 1.323 4.365 42 HZ PHE 5 HZ PHE 5 3.201 3.423 4.834 43 H LYS 6 H LYS 6 9.517 5.566 6.210 44 HA LYS 6 HA LYS 6 12.455 5.655 6.076 45 HB2 LYS 6 2HB LYS 6 10.348 7.727 6.431 46 HB3 LYS 6 3HB LYS 6 11.878 7.977 7.262 47 HG2 LYS 6 2HG LYS 6 13.051 7.745 5.104 48 HG3 LYS 6 3HG LYS 6 11.487 7.600 4.301 49 HD2 LYS 6 2HD LYS 6 10.870 9.818 4.959 50 HD3 LYS 6 3HD LYS 6 12.295 9.962 5.992 51 HE2 LYS 6 2HE LYS 6 12.957 11.125 4.114 52 HE3 LYS 6 3HE LYS 6 13.600 9.518 3.783 53 HZ1 LYS 6 3HZ LYS 6 12.544 10.227 1.822 54 HZ2 LYS 6 1HZ LYS 6 11.170 10.770 2.645 55 HZ3 LYS 6 2HZ LYS 6 11.480 9.113 2.520 56 HA PRO 7 HA PRO 7 12.926 4.555 10.297 57 HB2 PRO 7 2HB PRO 7 14.914 6.210 11.120 58 HB3 PRO 7 3HB PRO 7 15.188 4.849 10.026 59 HG2 PRO 7 2HG PRO 7 14.867 7.756 9.389 60 HG3 PRO 7 3HG PRO 7 16.026 6.587 8.728 61 HD2 PRO 7 2HD PRO 7 13.784 7.325 7.401 62 HD3 PRO 7 3HD PRO 7 14.485 5.701 7.260 63 H GLY 8 H GLY 8 11.414 4.988 11.780 64 HA2 GLY 8 2HA GLY 8 10.628 6.197 13.647 65 HA3 GLY 8 3HA GLY 8 11.356 7.652 12.982 66 H ASP 9 H ASP 9 9.343 5.529 11.073 67 HA ASP 9 HA ASP 9 7.397 7.706 10.817 68 HB2 ASP 9 2HB ASP 9 8.400 5.592 9.031 69 HB3 ASP 9 3HB ASP 9 6.661 5.859 8.943 70 H LEU 10 H LEU 10 5.333 7.519 11.473 71 HA LEU 10 HA LEU 10 4.623 5.246 13.099 72 HB2 LEU 10 2HB LEU 10 3.079 7.730 12.369 73 HB3 LEU 10 3HB LEU 10 2.549 6.517 13.532 74 HG LEU 10 HG LEU 10 3.386 8.266 14.836 75 HD11 LEU 10 1HD1 LEU 10 4.874 7.157 16.125 76 HD12 LEU 10 2HD1 LEU 10 5.931 6.769 14.769 77 HD13 LEU 10 3HD1 LEU 10 4.466 5.826 15.042 78 HD21 LEU 10 3HD2 LEU 10 5.114 9.664 14.323 79 HD22 LEU 10 1HD2 LEU 10 4.645 9.176 12.694 80 HD23 LEU 10 2HD2 LEU 10 6.026 8.411 13.480 81 H ILE 11 H ILE 11 3.685 3.477 12.343 82 HA ILE 11 HA ILE 11 1.602 3.667 10.330 83 HB ILE 11 HB ILE 11 2.605 1.884 8.926 84 HG12 ILE 11 2HG1 ILE 11 5.249 1.880 9.245 85 HG13 ILE 11 3HG1 ILE 11 4.802 2.211 10.915 86 HG21 ILE 11 1HG2 ILE 11 2.836 4.436 8.572 87 HG22 ILE 11 2HG2 ILE 11 4.527 4.174 8.995 88 HG23 ILE 11 3HG2 ILE 11 3.827 3.344 7.605 89 HD11 ILE 11 3HD1 ILE 11 4.889 -0.266 9.587 90 HD12 ILE 11 1HD1 ILE 11 4.385 0.069 11.243 91 HD13 ILE 11 2HD1 ILE 11 3.195 0.074 9.940 92 H PHE 12 H PHE 12 0.131 2.006 10.420 93 HA PHE 12 HA PHE 12 0.129 0.439 12.819 94 HB2 PHE 12 2HB PHE 12 -1.762 0.981 10.602 95 HB3 PHE 12 3HB PHE 12 -1.968 -0.551 11.445 96 HD1 PHE 12 HD1 PHE 12 -0.915 2.758 12.770 97 HD2 PHE 12 HD2 PHE 12 -3.887 -0.288 12.715 98 HE1 PHE 12 HE1 PHE 12 -2.131 3.917 14.568 99 HE2 PHE 12 HE2 PHE 12 -5.108 0.866 14.512 100 HZ PHE 12 HZ PHE 12 -4.231 2.972 15.441 101 H ALA 13 H ALA 13 1.308 -1.342 13.012 102 HA ALA 13 HA ALA 13 2.134 -2.879 10.720 103 HB1 ALA 13 1HB ALA 13 3.775 -3.571 12.052 104 HB2 ALA 13 2HB ALA 13 3.143 -2.463 13.271 105 HB3 ALA 13 3HB ALA 13 2.637 -4.152 13.268 106 H LYS 14 H LYS 14 1.380 -4.817 10.040 107 HA LYS 14 HA LYS 14 -0.925 -5.938 11.496 108 HB2 LYS 14 2HB LYS 14 -1.692 -5.076 9.406 109 HB3 LYS 14 3HB LYS 14 -0.349 -5.806 8.537 110 HG2 LYS 14 2HG LYS 14 -2.465 -6.995 8.181 111 HG3 LYS 14 3HG LYS 14 -1.237 -8.015 8.935 112 HD2 LYS 14 2HD LYS 14 -2.291 -7.937 11.023 113 HD3 LYS 14 3HD LYS 14 -3.257 -6.527 10.583 114 HE2 LYS 14 2HE LYS 14 -4.661 -8.490 10.613 115 HE3 LYS 14 3HE LYS 14 -4.486 -7.916 8.955 116 HZ1 LYS 14 3HZ LYS 14 -4.209 -10.433 9.542 117 HZ2 LYS 14 1HZ LYS 14 -2.629 -9.966 9.928 118 HZ3 LYS 14 2HZ LYS 14 -3.230 -9.710 8.368 119 H MET 15 H MET 15 -0.184 -7.635 12.618 120 HA MET 15 HA MET 15 1.881 -9.354 11.513 121 HB2 MET 15 2HB MET 15 0.577 -9.034 14.178 122 HB3 MET 15 3HB MET 15 1.332 -10.576 13.798 123 HG2 MET 15 2HG MET 15 3.441 -9.416 13.337 124 HG3 MET 15 3HG MET 15 2.678 -7.886 13.764 125 HE1 MET 15 3HE MET 15 3.129 -11.399 14.709 126 HE2 MET 15 1HE MET 15 4.293 -11.259 16.028 127 HE3 MET 15 2HE MET 15 2.575 -11.442 16.384 128 H LYS 16 H LYS 16 1.579 -11.342 10.684 129 HA LYS 16 HA LYS 16 -0.873 -12.160 9.689 130 HB2 LYS 16 2HB LYS 16 1.611 -13.762 10.307 131 HB3 LYS 16 3HB LYS 16 0.229 -14.422 9.443 132 HG2 LYS 16 2HG LYS 16 0.533 -12.533 7.787 133 HG3 LYS 16 3HG LYS 16 2.081 -12.223 8.577 134 HD2 LYS 16 2HD LYS 16 1.392 -14.974 7.615 135 HD3 LYS 16 3HD LYS 16 2.005 -13.761 6.489 136 HE2 LYS 16 2HE LYS 16 4.054 -13.596 7.603 137 HE3 LYS 16 3HE LYS 16 3.422 -14.352 9.065 138 HZ1 LYS 16 3HZ LYS 16 4.785 -15.928 7.956 139 HZ2 LYS 16 1HZ LYS 16 4.010 -15.671 6.475 140 HZ3 LYS 16 2HZ LYS 16 3.183 -16.428 7.742 141 H GLY 17 H GLY 17 -2.638 -12.620 10.833 142 HA2 GLY 17 2HA GLY 17 -3.878 -14.195 12.119 143 HA3 GLY 17 3HA GLY 17 -2.407 -14.594 12.994 144 H TYR 18 H TYR 18 -2.786 -11.264 12.581 145 HA TYR 18 HA TYR 18 -4.314 -10.902 15.037 146 HB2 TYR 18 2HB TYR 18 -1.591 -9.632 14.765 147 HB3 TYR 18 3HB TYR 18 -2.631 -9.673 16.185 148 HD1 TYR 18 HD2 TYR 18 -0.344 -11.638 14.078 149 HD2 TYR 18 HD1 TYR 18 -2.676 -11.587 17.636 150 HE1 TYR 18 HE2 TYR 18 0.815 -13.662 14.859 151 HE2 TYR 18 HE1 TYR 18 -1.522 -13.610 18.428 152 HH TYR 18 HH TYR 18 0.617 -14.776 18.051 153 HA PRO 19 HA PRO 19 -5.822 -7.326 12.984 154 HB2 PRO 19 2HB PRO 19 -6.410 -5.728 15.098 155 HB3 PRO 19 3HB PRO 19 -7.363 -7.156 14.679 156 HG2 PRO 19 2HG PRO 19 -5.235 -6.843 16.760 157 HG3 PRO 19 3HG PRO 19 -6.796 -7.677 16.873 158 HD2 PRO 19 2HD PRO 19 -4.465 -8.996 16.472 159 HD3 PRO 19 3HD PRO 19 -6.010 -9.561 15.802 160 H HIS 20 H HIS 20 -5.568 -4.879 12.941 161 HA HIS 20 HA HIS 20 -2.830 -4.241 12.609 162 HB2 HIS 20 2HB HIS 20 -5.071 -2.232 12.789 163 HB3 HIS 20 3HB HIS 20 -3.564 -2.099 11.888 164 HD1 HIS 20 HD1 HIS 20 -3.517 -4.562 10.209 165 HD2 HIS 20 HD2 HIS 20 -7.014 -2.439 10.929 166 HE1 HIS 20 HE1 HIS 20 -5.069 -5.164 8.324 167 H TRP 21 H TRP 21 -1.542 -2.729 13.727 168 HA TRP 21 HA TRP 21 -2.475 -1.766 16.310 169 HB2 TRP 21 2HB TRP 21 -1.597 -3.973 16.858 170 HB3 TRP 21 3HB TRP 21 -0.088 -3.604 16.026 171 HD1 TRP 21 HD1 TRP 21 1.490 -1.684 17.206 172 HE1 TRP 21 HE1 TRP 21 1.776 -1.097 19.696 173 HE3 TRP 21 HE3 TRP 21 -2.754 -3.861 19.045 174 HZ2 TRP 21 HZ2 TRP 21 0.386 -1.503 22.119 175 HZ3 TRP 21 HZ3 TRP 21 -3.201 -3.717 21.461 176 HH2 TRP 21 HH2 TRP 21 -1.662 -2.563 22.964 177 HA PRO 22 HA PRO 22 -0.018 1.681 15.076 178 HB2 PRO 22 2HB PRO 22 0.109 2.953 17.471 179 HB3 PRO 22 3HB PRO 22 -1.350 2.929 16.472 180 HG2 PRO 22 2HG PRO 22 -0.654 1.249 18.851 181 HG3 PRO 22 3HG PRO 22 -2.194 2.030 18.444 182 HD2 PRO 22 2HD PRO 22 -1.737 -0.604 18.012 183 HD3 PRO 22 3HD PRO 22 -2.790 0.368 16.963 184 H ALA 23 H ALA 23 2.077 1.392 14.625 185 HA ALA 23 HA ALA 23 3.959 1.128 16.852 186 HB1 ALA 23 1HB ALA 23 4.852 -0.458 14.612 187 HB2 ALA 23 2HB ALA 23 4.689 -0.901 16.312 188 HB3 ALA 23 3HB ALA 23 3.303 -1.035 15.229 189 H ARG 24 H ARG 24 6.311 1.025 15.581 190 HA ARG 24 HA ARG 24 6.304 3.230 13.638 191 HB2 ARG 24 2HB ARG 24 8.158 4.305 14.760 192 HB3 ARG 24 3HB ARG 24 6.826 4.115 15.892 193 HG2 ARG 24 2HG ARG 24 8.457 3.378 17.251 194 HG3 ARG 24 3HG ARG 24 8.179 1.855 16.404 195 HD2 ARG 24 2HD ARG 24 10.561 2.385 16.527 196 HD3 ARG 24 3HD ARG 24 9.991 2.370 14.859 197 HE ARG 24 HE ARG 24 10.590 4.562 14.701 198 HH11 ARG 24 1HH1 ARG 24 10.184 3.767 18.066 199 HH12 ARG 24 2HH1 ARG 24 10.728 5.311 18.631 200 HH21 ARG 24 1HH2 ARG 24 11.309 6.599 15.433 201 HH22 ARG 24 2HH2 ARG 24 11.367 6.922 17.133 202 H VAL 25 H VAL 25 8.493 3.460 12.569 203 HA VAL 25 HA VAL 25 9.474 0.777 11.902 204 HB VAL 25 HB VAL 25 9.861 3.379 10.414 205 HG11 VAL 25 1HG1 VAL 25 11.029 0.718 10.133 206 HG12 VAL 25 2HG1 VAL 25 10.296 1.329 8.648 207 HG13 VAL 25 3HG1 VAL 25 11.551 2.263 9.463 208 HG21 VAL 25 3HG2 VAL 25 8.359 1.871 8.777 209 HG22 VAL 25 1HG2 VAL 25 7.769 1.297 10.337 210 HG23 VAL 25 2HG2 VAL 25 7.679 3.012 9.937 211 H ASP 26 H ASP 26 11.542 0.163 12.216 212 HA ASP 26 HA ASP 26 13.296 2.067 13.603 213 HB2 ASP 26 2HB ASP 26 12.603 -0.258 14.568 214 HB3 ASP 26 3HB ASP 26 13.816 -0.884 13.454 215 H GLU 27 H GLU 27 15.691 1.684 13.207 216 HA GLU 27 HA GLU 27 16.130 1.775 10.335 217 HB2 GLU 27 2HB GLU 27 18.346 2.626 10.894 218 HB3 GLU 27 3HB GLU 27 17.105 3.523 11.758 219 HG2 GLU 27 2HG GLU 27 17.573 2.273 13.781 220 HG3 GLU 27 3HG GLU 27 18.771 1.305 12.925 221 H VAL 28 H VAL 28 18.318 0.796 9.604 222 HA VAL 28 HA VAL 28 18.118 -1.995 9.752 223 HB VAL 28 HB VAL 28 20.438 -1.976 8.727 224 HG11 VAL 28 1HG1 VAL 28 18.357 -2.016 7.410 225 HG12 VAL 28 2HG1 VAL 28 18.352 -0.252 7.393 226 HG13 VAL 28 3HG1 VAL 28 19.650 -1.139 6.593 227 HG21 VAL 28 3HG2 VAL 28 20.100 0.971 8.391 228 HG22 VAL 28 1HG2 VAL 28 20.861 0.345 9.854 229 HG23 VAL 28 2HG2 VAL 28 21.558 -0.015 8.275 230 HA PRO 29 HA PRO 29 20.313 -3.160 13.371 231 HB2 PRO 29 2HB PRO 29 21.486 -5.471 12.561 232 HB3 PRO 29 3HB PRO 29 19.751 -5.331 12.870 233 HG2 PRO 29 2HG PRO 29 21.222 -5.250 10.265 234 HG3 PRO 29 3HG PRO 29 19.710 -6.083 10.670 235 HD2 PRO 29 2HD PRO 29 19.763 -3.720 9.348 236 HD3 PRO 29 3HD PRO 29 18.450 -4.165 10.457 237 H ASP 30 H ASP 30 22.554 -3.972 14.092 238 HA ASP 30 HA ASP 30 24.482 -2.069 13.387 239 HB2 ASP 30 2HB ASP 30 24.387 -3.362 15.541 240 HB3 ASP 30 3HB ASP 30 25.023 -4.753 14.667 241 H GLY 31 H GLY 31 23.625 -5.041 11.904 242 HA2 GLY 31 2HA GLY 31 24.477 -5.188 9.560 243 HA3 GLY 31 3HA GLY 31 26.071 -4.918 10.249 244 H ALA 32 H ALA 32 25.042 -6.681 12.582 245 HA ALA 32 HA ALA 32 25.318 -9.279 11.227 246 HB1 ALA 32 1HB ALA 32 26.738 -10.000 13.183 247 HB2 ALA 32 2HB ALA 32 27.489 -8.854 12.071 248 HB3 ALA 32 3HB ALA 32 26.856 -8.295 13.619 249 H VAL 33 H VAL 33 23.040 -7.740 12.438 250 HA VAL 33 HA VAL 33 22.310 -9.445 14.697 251 HB VAL 33 HB VAL 33 20.617 -7.232 13.567 252 HG11 VAL 33 1HG1 VAL 33 19.317 -8.258 15.128 253 HG12 VAL 33 2HG1 VAL 33 20.698 -8.844 16.056 254 HG13 VAL 33 3HG1 VAL 33 20.196 -7.158 16.188 255 HG21 VAL 33 3HG2 VAL 33 21.689 -5.738 15.243 256 HG22 VAL 33 1HG2 VAL 33 22.901 -6.989 15.520 257 HG23 VAL 33 2HG2 VAL 33 22.768 -6.225 13.936 258 H LYS 34 H LYS 34 22.301 -9.972 11.589 259 HA LYS 34 HA LYS 34 21.135 -11.318 10.175 260 HB2 LYS 34 2HB LYS 34 20.987 -12.666 12.363 261 HB3 LYS 34 3HB LYS 34 19.338 -12.063 12.472 262 HG2 LYS 34 2HG LYS 34 19.209 -14.197 11.480 263 HG3 LYS 34 3HG LYS 34 18.952 -13.031 10.181 264 HD2 LYS 34 2HD LYS 34 21.423 -13.245 9.679 265 HD3 LYS 34 3HD LYS 34 21.437 -14.621 10.784 266 HE2 LYS 34 2HE LYS 34 19.588 -15.611 9.384 267 HE3 LYS 34 3HE LYS 34 19.891 -14.325 8.216 268 HZ1 LYS 34 3HZ LYS 34 21.686 -16.532 9.018 269 HZ2 LYS 34 1HZ LYS 34 22.280 -15.144 8.254 270 HZ3 LYS 34 2HZ LYS 34 21.146 -16.123 7.468 271 HA PRO 35 HA PRO 35 17.864 -8.043 9.866 272 HB2 PRO 35 2HB PRO 35 18.536 -7.287 7.347 273 HB3 PRO 35 3HB PRO 35 19.305 -6.614 8.789 274 HG2 PRO 35 2HG PRO 35 20.279 -8.769 6.954 275 HG3 PRO 35 3HG PRO 35 21.177 -7.418 7.669 276 HD2 PRO 35 2HD PRO 35 21.296 -9.933 8.663 277 HD3 PRO 35 3HD PRO 35 21.433 -8.493 9.691 278 HA PRO 36 HA PRO 36 14.986 -10.398 7.519 279 HB2 PRO 36 2HB PRO 36 13.525 -8.483 6.266 280 HB3 PRO 36 3HB PRO 36 13.412 -8.795 8.002 281 HG2 PRO 36 2HG PRO 36 14.944 -6.668 6.555 282 HG3 PRO 36 3HG PRO 36 13.969 -6.537 8.031 283 HD2 PRO 36 2HD PRO 36 16.672 -6.704 8.080 284 HD3 PRO 36 3HD PRO 36 15.650 -7.378 9.366 285 H THR 37 H THR 37 14.033 -10.665 5.262 286 HA THR 37 HA THR 37 16.135 -10.146 3.261 287 HB THR 37 HB THR 37 16.024 -12.499 3.622 288 HG1 THR 37 HG1 THR 37 16.018 -12.797 1.533 289 HG21 THR 37 3HG2 THR 37 13.045 -12.341 3.156 290 HG22 THR 37 1HG2 THR 37 13.810 -12.527 4.733 291 HG23 THR 37 2HG2 THR 37 13.979 -13.793 3.516 292 H ASN 38 H ASN 38 12.752 -9.943 4.012 293 HA ASN 38 HA ASN 38 12.328 -8.267 1.685 294 HB2 ASN 38 2HB ASN 38 10.602 -9.506 0.689 295 HB3 ASN 38 3HB ASN 38 11.817 -10.722 1.074 296 HD21 ASN 38 1HD2 ASN 38 11.472 -11.292 3.631 297 HD22 ASN 38 2HD2 ASN 38 9.880 -11.888 3.942 298 H LYS 39 H LYS 39 12.342 -8.047 4.640 299 HA LYS 39 HA LYS 39 9.759 -6.703 4.893 300 HB2 LYS 39 2HB LYS 39 10.809 -8.430 7.129 301 HB3 LYS 39 3HB LYS 39 9.228 -7.671 6.997 302 HG2 LYS 39 2HG LYS 39 8.770 -9.159 5.041 303 HG3 LYS 39 3HG LYS 39 10.277 -10.000 5.409 304 HD2 LYS 39 2HD LYS 39 9.382 -10.427 7.705 305 HD3 LYS 39 3HD LYS 39 7.840 -9.756 7.169 306 HE2 LYS 39 2HE LYS 39 9.244 -12.201 6.105 307 HE3 LYS 39 3HE LYS 39 7.730 -12.145 7.006 308 HZ1 LYS 39 3HZ LYS 39 7.276 -12.434 4.681 309 HZ2 LYS 39 1HZ LYS 39 8.196 -11.073 4.277 310 HZ3 LYS 39 2HZ LYS 39 6.757 -10.893 5.147 311 H LEU 40 H LEU 40 9.772 -5.508 7.152 312 HA LEU 40 HA LEU 40 12.446 -4.360 7.588 313 HB2 LEU 40 2HB LEU 40 11.070 -2.187 8.029 314 HB3 LEU 40 3HB LEU 40 11.532 -2.641 6.390 315 HG LEU 40 HG LEU 40 8.865 -3.500 7.396 316 HD11 LEU 40 1HD1 LEU 40 8.600 -0.988 6.090 317 HD12 LEU 40 2HD1 LEU 40 9.687 -0.795 7.465 318 HD13 LEU 40 3HD1 LEU 40 8.070 -1.457 7.706 319 HD21 LEU 40 3HD2 LEU 40 8.355 -2.865 4.967 320 HD22 LEU 40 1HD2 LEU 40 9.361 -4.286 5.252 321 HD23 LEU 40 2HD2 LEU 40 10.105 -2.763 4.764 322 HA PRO 41 HA PRO 41 11.738 -4.809 11.895 323 HB2 PRO 41 2HB PRO 41 12.942 -2.594 12.904 324 HB3 PRO 41 3HB PRO 41 13.845 -3.955 12.227 325 HG2 PRO 41 2HG PRO 41 13.128 -1.340 10.959 326 HG3 PRO 41 3HG PRO 41 14.662 -2.227 10.903 327 HD2 PRO 41 2HD PRO 41 12.871 -2.283 8.872 328 HD3 PRO 41 3HD PRO 41 13.915 -3.665 9.263 329 H ILE 42 H ILE 42 9.845 -4.590 12.893 330 HA ILE 42 HA ILE 42 8.570 -1.931 12.928 331 HB ILE 42 HB ILE 42 7.124 -4.574 13.088 332 HG12 ILE 42 2HG1 ILE 42 8.144 -4.367 10.886 333 HG13 ILE 42 3HG1 ILE 42 6.406 -4.116 10.763 334 HG21 ILE 42 1HG2 ILE 42 6.354 -1.910 13.652 335 HG22 ILE 42 2HG2 ILE 42 5.525 -2.406 12.178 336 HG23 ILE 42 3HG2 ILE 42 5.354 -3.362 13.649 337 HD11 ILE 42 3HD1 ILE 42 8.541 -2.401 9.968 338 HD12 ILE 42 1HD1 ILE 42 6.807 -2.222 9.703 339 HD13 ILE 42 2HD1 ILE 42 7.546 -1.585 11.173 340 H PHE 43 H PHE 43 8.999 -1.105 14.883 341 HA PHE 43 HA PHE 43 9.168 -2.763 17.235 342 HB2 PHE 43 2HB PHE 43 10.602 -0.735 16.845 343 HB3 PHE 43 3HB PHE 43 9.166 0.256 17.079 344 HD1 PHE 43 HD1 PHE 43 10.574 -2.703 18.867 345 HD2 PHE 43 HD2 PHE 43 9.245 1.334 19.098 346 HE1 PHE 43 HE1 PHE 43 10.969 -2.715 21.296 347 HE2 PHE 43 HE2 PHE 43 9.639 1.329 21.526 348 HZ PHE 43 HZ PHE 43 10.503 -0.697 22.628 349 H PHE 44 H PHE 44 7.326 -3.556 18.031 350 HA PHE 44 HA PHE 44 4.807 -2.248 17.773 351 HB2 PHE 44 2HB PHE 44 5.815 -4.774 18.895 352 HB3 PHE 44 3HB PHE 44 4.407 -4.120 19.726 353 HD1 PHE 44 HD2 PHE 44 5.687 -5.279 16.468 354 HD2 PHE 44 HD1 PHE 44 2.260 -4.195 18.747 355 HE1 PHE 44 HE2 PHE 44 4.231 -6.192 14.707 356 HE2 PHE 44 HE1 PHE 44 0.798 -5.107 16.990 357 HZ PHE 44 HZ PHE 44 1.784 -6.106 14.966 358 H PHE 45 H PHE 45 4.215 -0.521 18.892 359 HA PHE 45 HA PHE 45 5.505 0.205 21.356 360 HB2 PHE 45 2HB PHE 45 3.552 1.452 19.503 361 HB3 PHE 45 3HB PHE 45 3.489 1.979 21.182 362 HD1 PHE 45 HD2 PHE 45 6.185 2.102 22.065 363 HD2 PHE 45 HD1 PHE 45 4.607 3.030 18.222 364 HE1 PHE 45 HE2 PHE 45 8.077 3.621 21.659 365 HE2 PHE 45 HE1 PHE 45 6.497 4.550 17.810 366 HZ PHE 45 HZ PHE 45 8.235 4.849 19.529 367 H GLY 46 H GLY 46 4.626 0.270 23.408 368 HA2 GLY 46 2HA GLY 46 2.942 -0.006 25.032 369 HA3 GLY 46 3HA GLY 46 1.910 -0.727 23.806 370 H THR 47 H THR 47 3.819 -2.630 22.845 371 HA THR 47 HA THR 47 3.862 -4.462 25.151 372 HB THR 47 HB THR 47 3.690 -6.311 23.580 373 HG1 THR 47 HG1 THR 47 3.299 -5.750 21.320 374 HG21 THR 47 3HG2 THR 47 1.679 -4.378 24.049 375 HG22 THR 47 1HG2 THR 47 1.477 -6.093 23.693 376 HG23 THR 47 2HG2 THR 47 1.505 -4.917 22.379 377 H HIS 48 H HIS 48 5.854 -2.596 23.328 378 HA HIS 48 HA HIS 48 8.078 -2.591 22.819 379 HB2 HIS 48 2HB HIS 48 7.955 -4.159 25.382 380 HB3 HIS 48 3HB HIS 48 9.495 -3.842 24.588 381 HD1 HIS 48 HD1 HIS 48 8.288 -0.877 23.711 382 HD2 HIS 48 HD2 HIS 48 8.839 -2.478 27.505 383 HE1 HIS 48 HE1 HIS 48 8.455 1.100 25.257 384 H GLU 49 H GLU 49 6.525 -4.562 21.444 385 HA GLU 49 HA GLU 49 8.313 -6.873 21.274 386 HB2 GLU 49 2HB GLU 49 5.589 -6.348 20.078 387 HB3 GLU 49 3HB GLU 49 6.532 -7.799 19.771 388 HG2 GLU 49 2HG GLU 49 5.273 -6.898 22.335 389 HG3 GLU 49 3HG GLU 49 5.006 -8.392 21.440 390 H THR 50 H THR 50 8.469 -7.725 18.886 391 HA THR 50 HA THR 50 8.817 -5.596 16.940 392 HB THR 50 HB THR 50 10.968 -5.409 17.865 393 HG1 THR 50 HG1 THR 50 11.208 -5.629 15.665 394 HG21 THR 50 3HG2 THR 50 11.570 -7.028 19.296 395 HG22 THR 50 1HG2 THR 50 12.228 -7.854 17.884 396 HG23 THR 50 2HG2 THR 50 10.607 -8.246 18.460 397 H ALA 51 H ALA 51 8.143 -6.308 15.031 398 HA ALA 51 HA ALA 51 8.531 -9.135 14.338 399 HB1 ALA 51 1HB ALA 51 6.361 -9.606 14.238 400 HB2 ALA 51 2HB ALA 51 6.063 -8.074 15.061 401 HB3 ALA 51 3HB ALA 51 6.023 -8.151 13.300 402 H PHE 52 H PHE 52 8.934 -9.542 12.196 403 HA PHE 52 HA PHE 52 9.585 -7.213 10.575 404 HB2 PHE 52 2HB PHE 52 10.234 -10.144 10.379 405 HB3 PHE 52 3HB PHE 52 10.524 -9.055 9.027 406 HD1 PHE 52 HD2 PHE 52 11.667 -6.717 9.987 407 HD2 PHE 52 HD1 PHE 52 12.124 -10.648 11.555 408 HE1 PHE 52 HE2 PHE 52 13.825 -6.068 10.974 409 HE2 PHE 52 HE1 PHE 52 14.282 -10.005 12.546 410 HZ PHE 52 HZ PHE 52 15.136 -7.713 12.255 411 H LEU 53 H LEU 53 8.258 -6.450 9.079 412 HA LEU 53 HA LEU 53 6.561 -8.274 7.565 413 HB2 LEU 53 2HB LEU 53 5.375 -5.797 8.776 414 HB3 LEU 53 3HB LEU 53 4.544 -7.133 7.982 415 HG LEU 53 HG LEU 53 5.995 -7.474 10.594 416 HD11 LEU 53 1HD1 LEU 53 3.119 -7.337 10.815 417 HD12 LEU 53 2HD1 LEU 53 3.795 -5.819 10.224 418 HD13 LEU 53 3HD1 LEU 53 4.363 -6.504 11.747 419 HD21 LEU 53 3HD2 LEU 53 5.012 -9.320 8.871 420 HD22 LEU 53 1HD2 LEU 53 3.613 -9.052 9.911 421 HD23 LEU 53 2HD2 LEU 53 5.150 -9.557 10.614 422 H GLY 54 H GLY 54 6.498 -7.746 5.468 423 HA2 GLY 54 2HA GLY 54 8.088 -5.718 4.392 424 HA3 GLY 54 3HA GLY 54 6.832 -6.582 3.519 425 HA PRO 55 HA PRO 55 5.722 -2.038 4.106 426 HB2 PRO 55 2HB PRO 55 5.722 -1.370 1.474 427 HB3 PRO 55 3HB PRO 55 7.161 -1.254 2.495 428 HG2 PRO 55 2HG PRO 55 6.376 -3.403 0.563 429 HG3 PRO 55 3HG PRO 55 7.963 -2.654 0.819 430 HD2 PRO 55 2HD PRO 55 7.308 -5.071 1.851 431 HD3 PRO 55 3HD PRO 55 8.415 -3.951 2.670 432 H LYS 56 H LYS 56 4.727 -4.494 1.773 433 HA LYS 56 HA LYS 56 2.166 -3.354 1.249 434 HB2 LYS 56 2HB LYS 56 3.118 -6.198 0.861 435 HB3 LYS 56 3HB LYS 56 1.667 -5.494 0.159 436 HG2 LYS 56 2HG LYS 56 2.918 -4.079 -1.254 437 HG3 LYS 56 3HG LYS 56 4.415 -4.407 -0.378 438 HD2 LYS 56 2HD LYS 56 4.619 -5.721 -2.288 439 HD3 LYS 56 3HD LYS 56 4.021 -6.861 -1.080 440 HE2 LYS 56 2HE LYS 56 2.815 -7.167 -3.149 441 HE3 LYS 56 3HE LYS 56 1.730 -6.505 -1.927 442 HZ1 LYS 56 3HZ LYS 56 3.109 -4.598 -3.651 443 HZ2 LYS 56 1HZ LYS 56 1.539 -4.550 -3.021 444 HZ3 LYS 56 2HZ LYS 56 1.883 -5.522 -4.362 445 H ASP 57 H ASP 57 3.425 -4.898 3.933 446 HA ASP 57 HA ASP 57 0.845 -6.012 4.763 447 HB2 ASP 57 2HB ASP 57 3.675 -6.450 5.574 448 HB3 ASP 57 3HB ASP 57 2.437 -6.662 6.808 449 H ILE 58 H ILE 58 3.073 -3.427 5.421 450 HA ILE 58 HA ILE 58 1.584 -2.626 7.808 451 HB ILE 58 HB ILE 58 3.347 -0.867 8.025 452 HG12 ILE 58 2HG1 ILE 58 4.691 -2.389 5.782 453 HG13 ILE 58 3HG1 ILE 58 3.938 -0.809 5.602 454 HG21 ILE 58 1HG2 ILE 58 5.181 -2.965 8.099 455 HG22 ILE 58 2HG2 ILE 58 4.142 -2.411 9.411 456 HG23 ILE 58 3HG2 ILE 58 3.607 -3.719 8.356 457 HD11 ILE 58 3HD1 ILE 58 5.584 0.257 6.810 458 HD12 ILE 58 1HD1 ILE 58 6.080 -1.219 7.637 459 HD13 ILE 58 2HD1 ILE 58 6.492 -0.978 5.938 460 H PHE 59 H PHE 59 0.295 -0.868 7.903 461 HA PHE 59 HA PHE 59 0.009 0.721 5.437 462 HB2 PHE 59 2HB PHE 59 -1.988 -0.551 7.208 463 HB3 PHE 59 3HB PHE 59 -2.376 1.080 6.671 464 HD1 PHE 59 HD2 PHE 59 -1.226 -2.200 5.330 465 HD2 PHE 59 HD1 PHE 59 -3.448 1.367 4.654 466 HE1 PHE 59 HE2 PHE 59 -2.014 -3.102 3.181 467 HE2 PHE 59 HE1 PHE 59 -4.240 0.471 2.504 468 HZ PHE 59 HZ PHE 59 -3.522 -1.766 1.765 469 HA PRO 60 HA PRO 60 0.741 4.427 7.665 470 HB2 PRO 60 2HB PRO 60 -1.071 6.138 6.589 471 HB3 PRO 60 3HB PRO 60 0.355 5.573 5.711 472 HG2 PRO 60 2HG PRO 60 -2.474 4.608 5.550 473 HG3 PRO 60 3HG PRO 60 -1.317 4.905 4.240 474 HD2 PRO 60 2HD PRO 60 -1.837 2.423 5.188 475 HD3 PRO 60 3HD PRO 60 -0.244 2.891 4.560 476 H TYR 61 H TYR 61 0.259 4.940 9.699 477 HA TYR 61 HA TYR 61 -2.143 4.162 10.962 478 HB2 TYR 61 2HB TYR 61 -1.142 4.820 12.908 479 HB3 TYR 61 3HB TYR 61 0.293 4.750 11.890 480 HD1 TYR 61 HD2 TYR 61 0.882 6.994 10.645 481 HD2 TYR 61 HD1 TYR 61 -1.552 6.743 14.127 482 HE1 TYR 61 HE2 TYR 61 1.350 9.358 11.137 483 HE2 TYR 61 HE1 TYR 61 -1.090 9.107 14.627 484 HH TYR 61 HH TYR 61 0.089 11.245 12.471 485 H SER 62 H SER 62 -1.398 6.836 9.034 486 HA SER 62 HA SER 62 -3.004 8.832 10.215 487 HB2 SER 62 2HB SER 62 -1.234 9.007 8.308 488 HB3 SER 62 3HB SER 62 -2.595 8.650 7.244 489 HG SER 62 HG SER 62 -2.162 10.882 8.897 490 H GLU 63 H GLU 63 -3.796 5.980 8.519 491 HA GLU 63 HA GLU 63 -6.444 6.940 7.756 492 HB2 GLU 63 2HB GLU 63 -4.822 4.506 7.150 493 HB3 GLU 63 3HB GLU 63 -6.571 4.407 7.013 494 HG2 GLU 63 2HG GLU 63 -5.173 6.666 5.685 495 HG3 GLU 63 3HG GLU 63 -5.065 5.061 4.964 496 H ASN 64 H ASN 64 -4.902 4.699 9.992 497 HA ASN 64 HA ASN 64 -7.396 3.695 11.018 498 HB2 ASN 64 2HB ASN 64 -4.568 3.423 12.062 499 HB3 ASN 64 3HB ASN 64 -5.965 2.557 12.696 500 HD21 ASN 64 1HD2 ASN 64 -6.997 1.009 11.364 501 HD22 ASN 64 2HD2 ASN 64 -6.142 0.246 10.070 502 H LYS 65 H LYS 65 -4.915 5.975 12.106 503 HA LYS 65 HA LYS 65 -5.893 6.523 14.648 504 HB2 LYS 65 2HB LYS 65 -4.563 8.478 14.615 505 HB3 LYS 65 3HB LYS 65 -3.719 7.317 13.599 506 HG2 LYS 65 2HG LYS 65 -4.582 8.402 11.605 507 HG3 LYS 65 3HG LYS 65 -5.491 9.540 12.602 508 HD2 LYS 65 2HD LYS 65 -3.128 10.020 13.643 509 HD3 LYS 65 3HD LYS 65 -2.554 9.364 12.109 510 HE2 LYS 65 2HE LYS 65 -2.709 11.679 11.758 511 HE3 LYS 65 3HE LYS 65 -4.150 11.007 10.996 512 HZ1 LYS 65 3HZ LYS 65 -3.971 12.904 13.080 513 HZ2 LYS 65 1HZ LYS 65 -4.825 11.550 13.626 514 HZ3 LYS 65 2HZ LYS 65 -5.342 12.374 12.243 515 H GLU 66 H GLU 66 -7.034 7.569 11.529 516 HA GLU 66 HA GLU 66 -8.760 9.617 12.616 517 HB2 GLU 66 2HB GLU 66 -7.831 9.975 10.415 518 HB3 GLU 66 3HB GLU 66 -8.497 8.453 9.841 519 HG2 GLU 66 2HG GLU 66 -9.750 10.447 9.087 520 HG3 GLU 66 3HG GLU 66 -10.727 9.291 9.990 521 H LYS 67 H LYS 67 -8.910 6.252 12.050 522 HA LYS 67 HA LYS 67 -11.746 6.046 11.716 523 HB2 LYS 67 2HB LYS 67 -9.628 4.012 12.422 524 HB3 LYS 67 3HB LYS 67 -11.325 3.605 12.199 525 HG2 LYS 67 2HG LYS 67 -10.015 5.105 10.014 526 HG3 LYS 67 3HG LYS 67 -9.521 3.427 10.249 527 HD2 LYS 67 2HD LYS 67 -12.423 4.166 10.141 528 HD3 LYS 67 3HD LYS 67 -11.495 3.946 8.656 529 HE2 LYS 67 2HE LYS 67 -11.448 1.863 10.806 530 HE3 LYS 67 3HE LYS 67 -12.785 1.934 9.659 531 HZ1 LYS 67 3HZ LYS 67 -11.218 1.696 7.850 532 HZ2 LYS 67 1HZ LYS 67 -11.038 0.413 8.938 533 HZ3 LYS 67 2HZ LYS 67 -9.916 1.679 8.931 534 H TYR 68 H TYR 68 -9.600 5.073 14.399 535 HA TYR 68 HA TYR 68 -11.772 5.761 16.261 536 HB2 TYR 68 2HB TYR 68 -10.059 3.555 17.149 537 HB3 TYR 68 3HB TYR 68 -11.810 3.717 17.211 538 HD1 TYR 68 HD2 TYR 68 -13.184 3.049 15.264 539 HD2 TYR 68 HD1 TYR 68 -8.984 2.377 15.367 540 HE1 TYR 68 HE2 TYR 68 -13.402 1.438 13.418 541 HE2 TYR 68 HE1 TYR 68 -9.190 0.765 13.521 542 HH TYR 68 HH TYR 68 -11.047 -0.738 12.588 543 H GLY 69 H GLY 69 -8.404 5.716 15.495 544 HA2 GLY 69 2HA GLY 69 -6.693 6.997 16.371 545 HA3 GLY 69 3HA GLY 69 -7.849 7.693 17.498 546 H LYS 70 H LYS 70 -8.483 4.715 18.158 547 HA LYS 70 HA LYS 70 -6.095 3.974 19.639 548 HB2 LYS 70 2HB LYS 70 -7.359 3.820 21.784 549 HB3 LYS 70 3HB LYS 70 -7.124 5.468 21.217 550 HG2 LYS 70 2HG LYS 70 -9.316 5.555 21.833 551 HG3 LYS 70 3HG LYS 70 -9.488 5.092 20.139 552 HD2 LYS 70 2HD LYS 70 -9.959 2.862 20.678 553 HD3 LYS 70 3HD LYS 70 -9.317 3.030 22.314 554 HE2 LYS 70 2HE LYS 70 -11.772 4.459 21.307 555 HE3 LYS 70 3HE LYS 70 -11.813 2.924 22.173 556 HZ1 LYS 70 3HZ LYS 70 -11.720 5.490 23.249 557 HZ2 LYS 70 1HZ LYS 70 -10.241 4.754 23.616 558 HZ3 LYS 70 2HZ LYS 70 -11.691 4.016 24.078 559 HA PRO 71 HA PRO 71 -7.519 -0.108 18.879 560 HB2 PRO 71 2HB PRO 71 -6.521 -1.433 21.028 561 HB3 PRO 71 3HB PRO 71 -5.506 -0.841 19.708 562 HG2 PRO 71 2HG PRO 71 -6.019 0.375 22.395 563 HG3 PRO 71 3HG PRO 71 -4.491 0.223 21.509 564 HD2 PRO 71 2HD PRO 71 -5.912 2.527 21.577 565 HD3 PRO 71 3HD PRO 71 -4.939 2.046 20.172 566 H ASN 72 H ASN 72 -9.238 -1.424 19.294 567 HA ASN 72 HA ASN 72 -10.981 -0.634 21.508 568 HB2 ASN 72 2HB ASN 72 -11.406 -1.533 18.788 569 HB3 ASN 72 3HB ASN 72 -12.322 -2.517 19.926 570 HD21 ASN 72 1HD2 ASN 72 -14.335 -1.814 19.820 571 HD22 ASN 72 2HD2 ASN 72 -14.836 -0.166 19.959 572 H LYS 73 H LYS 73 -9.945 -3.653 19.914 573 HA LYS 73 HA LYS 73 -10.134 -4.983 22.538 574 HB2 LYS 73 2HB LYS 73 -11.793 -5.656 20.679 575 HB3 LYS 73 3HB LYS 73 -10.409 -6.423 19.911 576 HG2 LYS 73 2HG LYS 73 -10.701 -8.213 21.171 577 HG3 LYS 73 3HG LYS 73 -10.453 -7.240 22.623 578 HD2 LYS 73 2HD LYS 73 -12.957 -6.557 22.195 579 HD3 LYS 73 3HD LYS 73 -12.992 -8.079 21.302 580 HE2 LYS 73 2HE LYS 73 -11.688 -8.328 23.889 581 HE3 LYS 73 3HE LYS 73 -13.352 -7.763 24.024 582 HZ1 LYS 73 3HZ LYS 73 -13.830 -9.695 22.401 583 HZ2 LYS 73 1HZ LYS 73 -13.591 -10.038 24.041 584 HZ3 LYS 73 2HZ LYS 73 -12.342 -10.302 22.931 585 H ARG 74 H ARG 74 -7.830 -3.611 21.447 586 HA ARG 74 HA ARG 74 -6.016 -5.815 20.781 587 HB2 ARG 74 2HB ARG 74 -5.226 -2.919 20.857 588 HB3 ARG 74 3HB ARG 74 -4.530 -4.229 19.912 589 HG2 ARG 74 2HG ARG 74 -7.267 -3.056 19.465 590 HG3 ARG 74 3HG ARG 74 -5.817 -2.622 18.558 591 HD2 ARG 74 2HD ARG 74 -5.628 -5.138 18.062 592 HD3 ARG 74 3HD ARG 74 -7.305 -5.226 18.598 593 HE ARG 74 HE ARG 74 -6.319 -4.083 16.139 594 HH11 ARG 74 1HH1 ARG 74 -8.948 -4.222 18.416 595 HH12 ARG 74 2HH1 ARG 74 -10.139 -3.702 17.271 596 HH21 ARG 74 1HH2 ARG 74 -7.878 -3.397 14.622 597 HH22 ARG 74 2HH2 ARG 74 -9.530 -3.233 15.113 598 H LYS 75 H LYS 75 -4.752 -6.679 22.280 599 HA LYS 75 HA LYS 75 -4.772 -5.826 24.969 600 HB2 LYS 75 2HB LYS 75 -3.227 -7.853 23.406 601 HB3 LYS 75 3HB LYS 75 -2.694 -7.447 25.032 602 HG2 LYS 75 2HG LYS 75 -4.060 -9.236 25.444 603 HG3 LYS 75 3HG LYS 75 -5.189 -7.895 25.652 604 HD2 LYS 75 2HD LYS 75 -6.194 -8.271 23.567 605 HD3 LYS 75 3HD LYS 75 -4.852 -9.271 23.004 606 HE2 LYS 75 2HE LYS 75 -5.545 -11.110 24.205 607 HE3 LYS 75 3HE LYS 75 -6.416 -10.140 25.391 608 HZ1 LYS 75 3HZ LYS 75 -7.977 -9.588 23.491 609 HZ2 LYS 75 1HZ LYS 75 -8.058 -11.162 24.107 610 HZ3 LYS 75 2HZ LYS 75 -7.253 -10.865 22.650 611 H GLY 76 H GLY 76 -3.568 -4.382 26.031 612 HA2 GLY 76 2HA GLY 76 -1.469 -3.351 26.547 613 HA3 GLY 76 3HA GLY 76 -0.996 -3.558 24.867 614 H PHE 77 H PHE 77 -4.188 -2.436 25.419 615 HA PHE 77 HA PHE 77 -3.722 -0.018 24.019 616 HB2 PHE 77 2HB PHE 77 -6.045 0.462 24.390 617 HB3 PHE 77 3HB PHE 77 -5.899 -1.266 24.085 618 HD1 PHE 77 HD2 PHE 77 -6.128 -2.873 25.937 619 HD2 PHE 77 HD1 PHE 77 -6.817 1.293 26.477 620 HE1 PHE 77 HE2 PHE 77 -7.313 -3.344 28.041 621 HE2 PHE 77 HE1 PHE 77 -8.001 0.828 28.583 622 HZ PHE 77 HZ PHE 77 -8.252 -1.493 29.367 623 H ASN 78 H ASN 78 -3.888 2.140 24.764 624 HA ASN 78 HA ASN 78 -3.430 3.884 26.149 625 HB2 ASN 78 2HB ASN 78 -5.266 2.297 27.526 626 HB3 ASN 78 3HB ASN 78 -3.996 2.621 28.703 627 HD21 ASN 78 1HD2 ASN 78 -5.288 4.590 26.060 628 HD22 ASN 78 2HD2 ASN 78 -5.769 5.918 27.055 629 H GLU 79 H GLU 79 -1.487 1.617 25.679 630 HA GLU 79 HA GLU 79 0.250 2.017 28.019 631 HB2 GLU 79 2HB GLU 79 0.429 -0.090 25.857 632 HB3 GLU 79 3HB GLU 79 1.467 0.029 27.271 633 HG2 GLU 79 2HG GLU 79 -1.480 -0.566 27.237 634 HG3 GLU 79 3HG GLU 79 -0.172 -1.681 27.630 635 H GLY 80 H GLY 80 -0.037 4.069 26.085 636 HA2 GLY 80 2HA GLY 80 1.924 5.469 25.568 637 HA3 GLY 80 3HA GLY 80 2.663 4.029 24.882 638 H LEU 81 H LEU 81 -0.708 4.686 24.362 639 HA LEU 81 HA LEU 81 -0.363 4.667 21.531 640 HB2 LEU 81 2HB LEU 81 -2.356 3.727 22.402 641 HB3 LEU 81 3HB LEU 81 -2.724 5.188 23.317 642 HG LEU 81 HG LEU 81 -2.773 6.181 20.813 643 HD11 LEU 81 1HD1 LEU 81 -2.410 4.247 19.565 644 HD12 LEU 81 2HD1 LEU 81 -4.161 4.448 19.531 645 HD13 LEU 81 3HD1 LEU 81 -3.432 3.264 20.614 646 HD21 LEU 81 3HD2 LEU 81 -5.169 6.112 20.979 647 HD22 LEU 81 1HD2 LEU 81 -4.496 6.352 22.592 648 HD23 LEU 81 2HD2 LEU 81 -5.095 4.763 22.114 649 H TRP 82 H TRP 82 -0.863 7.158 23.952 650 HA TRP 82 HA TRP 82 -1.374 9.269 22.109 651 HB2 TRP 82 2HB TRP 82 -2.146 9.635 24.309 652 HB3 TRP 82 3HB TRP 82 -0.597 9.186 25.017 653 HD1 TRP 82 HD1 TRP 82 -2.427 12.125 23.432 654 HE1 TRP 82 HE1 TRP 82 -1.043 14.264 23.799 655 HE3 TRP 82 HE3 TRP 82 1.833 10.023 25.321 656 HZ2 TRP 82 HZ2 TRP 82 1.515 14.967 24.762 657 HZ3 TRP 82 HZ3 TRP 82 3.702 11.498 25.940 658 HH2 TRP 82 HH2 TRP 82 3.545 13.919 25.665 659 H GLU 83 H GLU 83 1.434 7.590 22.975 660 HA GLU 83 HA GLU 83 3.304 9.735 22.603 661 HB2 GLU 83 2HB GLU 83 3.523 6.765 22.933 662 HB3 GLU 83 3HB GLU 83 4.917 7.688 22.388 663 HG2 GLU 83 2HG GLU 83 5.128 8.810 24.389 664 HG3 GLU 83 3HG GLU 83 3.446 8.538 24.839 665 H ILE 84 H ILE 84 1.884 7.233 20.601 666 HA ILE 84 HA ILE 84 3.626 7.428 18.400 667 HB ILE 84 HB ILE 84 1.851 5.642 18.843 668 HG12 ILE 84 2HG1 ILE 84 2.027 6.839 16.069 669 HG13 ILE 84 3HG1 ILE 84 3.224 5.768 16.791 670 HG21 ILE 84 1HG2 ILE 84 -0.049 7.080 17.137 671 HG22 ILE 84 2HG2 ILE 84 -0.334 6.046 18.537 672 HG23 ILE 84 3HG2 ILE 84 0.118 7.735 18.766 673 HD11 ILE 84 3HD1 ILE 84 1.702 3.946 16.794 674 HD12 ILE 84 1HD1 ILE 84 0.355 4.993 16.347 675 HD13 ILE 84 2HD1 ILE 84 1.651 4.680 15.192 676 H ASP 85 H ASP 85 1.349 9.619 19.615 677 HA ASP 85 HA ASP 85 1.266 11.059 17.045 678 HB2 ASP 85 2HB ASP 85 -0.718 12.267 18.235 679 HB3 ASP 85 3HB ASP 85 -0.972 10.670 17.535 680 H ASN 86 H ASN 86 2.710 11.030 20.021 681 HA ASN 86 HA ASN 86 3.275 13.912 19.858 682 HB2 ASN 86 2HB ASN 86 2.542 12.277 22.270 683 HB3 ASN 86 3HB ASN 86 3.539 13.719 22.440 684 HD21 ASN 86 1HD2 ASN 86 0.487 12.587 21.061 685 HD22 ASN 86 2HD2 ASN 86 -0.381 14.057 21.331 686 H ASN 87 H ASN 87 4.408 11.123 21.773 687 HA ASN 87 HA ASN 87 7.159 11.847 21.013 688 HB2 ASN 87 2HB ASN 87 6.625 11.988 23.441 689 HB3 ASN 87 3HB ASN 87 6.249 10.267 23.428 690 HD21 ASN 87 1HD2 ASN 87 8.000 10.655 25.174 691 HD22 ASN 87 2HD2 ASN 87 9.622 10.352 24.658 692 HA PRO 88 HA PRO 88 6.294 7.813 18.917 693 HB2 PRO 88 2HB PRO 88 7.603 8.467 16.631 694 HB3 PRO 88 3HB PRO 88 5.909 8.881 16.919 695 HG2 PRO 88 2HG PRO 88 8.352 10.587 17.211 696 HG3 PRO 88 3HG PRO 88 6.778 10.997 16.504 697 HD2 PRO 88 2HD PRO 88 7.485 11.733 19.012 698 HD3 PRO 88 3HD PRO 88 5.807 11.364 18.562 699 H LYS 89 H LYS 89 8.995 9.538 20.002 700 HA LYS 89 HA LYS 89 10.796 7.287 19.397 701 HB2 LYS 89 2HB LYS 89 12.642 8.899 19.848 702 HB3 LYS 89 3HB LYS 89 11.641 9.342 18.472 703 HG2 LYS 89 2HG LYS 89 10.561 11.058 19.691 704 HG3 LYS 89 3HG LYS 89 11.235 10.489 21.220 705 HD2 LYS 89 2HD LYS 89 13.525 10.955 20.138 706 HD3 LYS 89 3HD LYS 89 12.614 11.905 18.962 707 HE2 LYS 89 2HE LYS 89 13.379 13.379 20.686 708 HE3 LYS 89 3HE LYS 89 11.635 13.188 20.859 709 HZ1 LYS 89 3HZ LYS 89 12.734 11.207 22.410 710 HZ2 LYS 89 1HZ LYS 89 12.033 12.646 22.958 711 HZ3 LYS 89 2HZ LYS 89 13.704 12.561 22.708 712 H VAL 90 H VAL 90 8.830 7.437 21.581 713 HA VAL 90 HA VAL 90 10.038 8.025 24.043 714 HB VAL 90 HB VAL 90 7.611 7.657 23.765 715 HG11 VAL 90 1HG1 VAL 90 8.433 4.776 23.431 716 HG12 VAL 90 2HG1 VAL 90 6.781 5.306 23.754 717 HG13 VAL 90 3HG1 VAL 90 7.588 5.791 22.262 718 HG21 VAL 90 3HG2 VAL 90 8.238 5.596 25.754 719 HG22 VAL 90 1HG2 VAL 90 9.162 7.088 25.929 720 HG23 VAL 90 2HG2 VAL 90 7.399 7.136 25.940 721 H LYS 91 H LYS 91 10.578 5.467 21.852 722 HA LYS 91 HA LYS 91 11.279 3.324 23.439 723 HB2 LYS 91 2HB LYS 91 12.799 2.654 21.617 724 HB3 LYS 91 3HB LYS 91 11.234 3.183 21.012 725 HG2 LYS 91 2HG LYS 91 12.256 4.612 19.673 726 HG3 LYS 91 3HG LYS 91 12.904 5.456 21.082 727 HD2 LYS 91 2HD LYS 91 14.938 4.424 20.933 728 HD3 LYS 91 3HD LYS 91 14.265 2.962 20.209 729 HE2 LYS 91 2HE LYS 91 15.520 4.004 18.506 730 HE3 LYS 91 3HE LYS 91 13.832 4.354 18.138 731 HZ1 LYS 91 3HZ LYS 91 14.771 6.405 17.890 732 HZ2 LYS 91 1HZ LYS 91 15.939 6.159 19.089 733 HZ3 LYS 91 2HZ LYS 91 14.338 6.488 19.523 734 H PHE 92 H PHE 92 13.015 6.301 22.875 735 HA PHE 92 HA PHE 92 14.954 7.150 23.714 736 HB2 PHE 92 2HB PHE 92 13.524 6.640 25.805 737 HB3 PHE 92 3HB PHE 92 14.619 5.284 26.050 738 HD1 PHE 92 HD1 PHE 92 14.943 8.897 25.158 739 HD2 PHE 92 HD2 PHE 92 16.260 5.665 27.594 740 HE1 PHE 92 HE1 PHE 92 16.539 10.397 26.279 741 HE2 PHE 92 HE2 PHE 92 17.857 7.159 28.719 742 HZ PHE 92 HZ PHE 92 17.998 9.529 28.063 743 H SER 93 H SER 93 16.214 6.150 22.048 744 HA SER 93 HA SER 93 18.395 4.646 23.038 745 HB2 SER 93 2HB SER 93 18.030 2.511 22.284 746 HB3 SER 93 3HB SER 93 16.358 2.968 22.610 747 HG SER 93 HG SER 93 16.322 2.198 20.572 Start of MODEL 12 1 H MET 1 H MET 1 1.917 1.830 1.869 2 HA MET 1 HA MET 1 1.394 0.824 -0.724 3 HB2 MET 1 2HB MET 1 3.516 2.765 0.211 4 HB3 MET 1 3HB MET 1 3.075 2.482 -1.468 5 HG2 MET 1 2HG MET 1 0.981 3.307 0.486 6 HG3 MET 1 3HG MET 1 2.094 4.508 -0.166 7 HE1 MET 1 3HE MET 1 1.335 5.405 -3.303 8 HE2 MET 1 1HE MET 1 -0.020 5.917 -2.296 9 HE3 MET 1 2HE MET 1 1.603 5.826 -1.611 10 H THR 2 H THR 2 3.573 0.694 -2.198 11 HA THR 2 HA THR 2 4.940 -1.683 -1.175 12 HB THR 2 HB THR 2 5.595 -2.133 -3.465 13 HG1 THR 2 HG1 THR 2 5.919 -0.259 -4.488 14 HG21 THR 2 3HG2 THR 2 2.694 -1.301 -3.333 15 HG22 THR 2 1HG2 THR 2 3.348 -2.839 -2.771 16 HG23 THR 2 2HG2 THR 2 3.396 -2.434 -4.487 17 H ARG 3 H ARG 3 5.490 1.446 -0.911 18 HA ARG 3 HA ARG 3 8.318 1.387 -1.670 19 HB2 ARG 3 2HB ARG 3 6.592 3.680 -0.716 20 HB3 ARG 3 3HB ARG 3 8.275 3.812 -1.207 21 HG2 ARG 3 2HG ARG 3 7.331 2.706 -3.420 22 HG3 ARG 3 3HG ARG 3 5.838 3.457 -2.853 23 HD2 ARG 3 2HD ARG 3 7.108 5.604 -2.634 24 HD3 ARG 3 3HD ARG 3 8.469 4.809 -3.424 25 HE ARG 3 HE ARG 3 6.044 4.616 -4.932 26 HH11 ARG 3 1HH1 ARG 3 8.763 6.660 -4.191 27 HH12 ARG 3 2HH1 ARG 3 8.673 7.541 -5.680 28 HH21 ARG 3 1HH2 ARG 3 5.915 5.768 -6.896 29 HH22 ARG 3 2HH2 ARG 3 7.052 7.034 -7.218 30 H ASP 4 H ASP 4 9.972 1.784 -0.194 31 HA ASP 4 HA ASP 4 9.614 0.709 2.389 32 HB2 ASP 4 2HB ASP 4 11.937 1.277 2.770 33 HB3 ASP 4 3HB ASP 4 11.757 0.660 1.130 34 H PHE 5 H PHE 5 10.136 1.813 4.435 35 HA PHE 5 HA PHE 5 9.024 4.540 4.455 36 HB2 PHE 5 2HB PHE 5 8.706 2.210 6.285 37 HB3 PHE 5 3HB PHE 5 8.687 3.820 6.998 38 HD1 PHE 5 HD1 PHE 5 6.927 5.415 6.415 39 HD2 PHE 5 HD2 PHE 5 6.907 1.430 4.921 40 HE1 PHE 5 HE1 PHE 5 4.560 5.664 5.790 41 HE2 PHE 5 HE2 PHE 5 4.541 1.673 4.293 42 HZ PHE 5 HZ PHE 5 3.364 3.792 4.727 43 H LYS 6 H LYS 6 9.697 5.613 6.711 44 HA LYS 6 HA LYS 6 12.638 5.506 6.771 45 HB2 LYS 6 2HB LYS 6 10.665 7.724 7.042 46 HB3 LYS 6 3HB LYS 6 12.174 7.849 7.937 47 HG2 LYS 6 2HG LYS 6 13.348 7.413 5.731 48 HG3 LYS 6 3HG LYS 6 11.781 7.686 4.966 49 HD2 LYS 6 2HD LYS 6 13.129 9.651 6.814 50 HD3 LYS 6 3HD LYS 6 13.248 9.704 5.053 51 HE2 LYS 6 2HE LYS 6 10.668 9.704 5.108 52 HE3 LYS 6 3HE LYS 6 10.855 10.159 6.801 53 HZ1 LYS 6 3HZ LYS 6 11.285 12.235 6.207 54 HZ2 LYS 6 1HZ LYS 6 10.925 11.830 4.604 55 HZ3 LYS 6 2HZ LYS 6 12.521 11.753 5.158 56 HA PRO 7 HA PRO 7 12.722 4.324 10.995 57 HB2 PRO 7 2HB PRO 7 14.764 5.816 11.983 58 HB3 PRO 7 3HB PRO 7 15.014 4.450 10.889 59 HG2 PRO 7 2HG PRO 7 14.955 7.380 10.279 60 HG3 PRO 7 3HG PRO 7 16.068 6.135 9.682 61 HD2 PRO 7 2HD PRO 7 13.988 7.055 8.213 62 HD3 PRO 7 3HD PRO 7 14.576 5.384 8.094 63 H GLY 8 H GLY 8 11.199 4.839 12.433 64 HA2 GLY 8 2HA GLY 8 10.371 6.091 14.247 65 HA3 GLY 8 3HA GLY 8 11.228 7.499 13.637 66 H ASP 9 H ASP 9 9.283 5.593 11.489 67 HA ASP 9 HA ASP 9 7.486 7.870 11.152 68 HB2 ASP 9 2HB ASP 9 8.364 5.601 9.466 69 HB3 ASP 9 3HB ASP 9 6.696 6.122 9.245 70 H LEU 10 H LEU 10 5.279 7.768 11.404 71 HA LEU 10 HA LEU 10 4.322 5.692 13.178 72 HB2 LEU 10 2HB LEU 10 2.918 8.111 12.054 73 HB3 LEU 10 3HB LEU 10 2.290 7.052 13.315 74 HG LEU 10 HG LEU 10 3.059 8.914 14.479 75 HD11 LEU 10 1HD1 LEU 10 4.500 7.976 15.948 76 HD12 LEU 10 2HD1 LEU 10 5.621 7.456 14.690 77 HD13 LEU 10 3HD1 LEU 10 4.152 6.530 14.999 78 HD21 LEU 10 3HD2 LEU 10 4.452 9.567 12.294 79 HD22 LEU 10 1HD2 LEU 10 5.775 8.990 13.308 80 HD23 LEU 10 2HD2 LEU 10 4.742 10.304 13.870 81 H ILE 11 H ILE 11 3.584 3.846 12.376 82 HA ILE 11 HA ILE 11 1.615 3.897 10.241 83 HB ILE 11 HB ILE 11 2.745 2.129 8.942 84 HG12 ILE 11 2HG1 ILE 11 5.365 2.162 9.454 85 HG13 ILE 11 3HG1 ILE 11 4.785 2.494 11.083 86 HG21 ILE 11 1HG2 ILE 11 4.620 4.459 9.129 87 HG22 ILE 11 2HG2 ILE 11 4.087 3.572 7.702 88 HG23 ILE 11 3HG2 ILE 11 2.973 4.657 8.531 89 HD11 ILE 11 3HD1 ILE 11 4.635 0.294 11.315 90 HD12 ILE 11 1HD1 ILE 11 3.219 0.384 10.267 91 HD13 ILE 11 2HD1 ILE 11 4.802 0.018 9.581 92 H PHE 12 H PHE 12 0.191 2.198 10.312 93 HA PHE 12 HA PHE 12 0.181 0.657 12.750 94 HB2 PHE 12 2HB PHE 12 -1.740 1.201 10.547 95 HB3 PHE 12 3HB PHE 12 -1.954 -0.299 11.443 96 HD1 PHE 12 HD2 PHE 12 -1.005 3.175 12.425 97 HD2 PHE 12 HD1 PHE 12 -3.664 -0.106 12.953 98 HE1 PHE 12 HE2 PHE 12 -2.170 4.410 14.205 99 HE2 PHE 12 HE1 PHE 12 -4.834 1.124 14.734 100 HZ PHE 12 HZ PHE 12 -4.087 3.385 15.363 101 H ALA 13 H ALA 13 1.314 -1.155 12.918 102 HA ALA 13 HA ALA 13 2.114 -2.669 10.602 103 HB1 ALA 13 1HB ALA 13 2.899 -2.484 13.376 104 HB2 ALA 13 2HB ALA 13 2.755 -4.164 12.856 105 HB3 ALA 13 3HB ALA 13 3.814 -3.057 11.981 106 H LYS 14 H LYS 14 1.167 -4.424 9.780 107 HA LYS 14 HA LYS 14 -1.122 -5.561 11.236 108 HB2 LYS 14 2HB LYS 14 -1.826 -4.688 9.136 109 HB3 LYS 14 3HB LYS 14 -0.468 -5.426 8.296 110 HG2 LYS 14 2HG LYS 14 -2.591 -6.584 7.873 111 HG3 LYS 14 3HG LYS 14 -1.393 -7.626 8.643 112 HD2 LYS 14 2HD LYS 14 -2.527 -7.671 10.649 113 HD3 LYS 14 3HD LYS 14 -3.340 -6.135 10.345 114 HE2 LYS 14 2HE LYS 14 -4.873 -8.061 10.229 115 HE3 LYS 14 3HE LYS 14 -4.778 -7.178 8.706 116 HZ1 LYS 14 3HZ LYS 14 -2.870 -9.312 8.885 117 HZ2 LYS 14 1HZ LYS 14 -3.980 -8.956 7.659 118 HZ3 LYS 14 2HZ LYS 14 -4.467 -9.857 9.004 119 H MET 15 H MET 15 -0.455 -7.276 12.378 120 HA MET 15 HA MET 15 1.583 -9.056 11.323 121 HB2 MET 15 2HB MET 15 0.285 -8.618 13.955 122 HB3 MET 15 3HB MET 15 0.853 -10.247 13.616 123 HG2 MET 15 2HG MET 15 2.715 -8.004 13.088 124 HG3 MET 15 3HG MET 15 2.380 -8.420 14.767 125 HE1 MET 15 3HE MET 15 4.347 -11.405 15.516 126 HE2 MET 15 1HE MET 15 3.398 -10.004 16.018 127 HE3 MET 15 2HE MET 15 2.587 -11.441 15.395 128 H LYS 16 H LYS 16 1.238 -11.022 10.468 129 HA LYS 16 HA LYS 16 -1.210 -11.774 9.423 130 HB2 LYS 16 2HB LYS 16 -0.183 -14.047 9.161 131 HB3 LYS 16 3HB LYS 16 0.797 -12.726 8.537 132 HG2 LYS 16 2HG LYS 16 2.014 -12.787 10.771 133 HG3 LYS 16 3HG LYS 16 1.208 -14.335 11.035 134 HD2 LYS 16 2HD LYS 16 2.148 -14.994 8.741 135 HD3 LYS 16 3HD LYS 16 3.204 -13.591 8.917 136 HE2 LYS 16 2HE LYS 16 2.990 -15.771 10.983 137 HE3 LYS 16 3HE LYS 16 4.168 -15.796 9.672 138 HZ1 LYS 16 3HZ LYS 16 4.285 -14.410 12.129 139 HZ2 LYS 16 1HZ LYS 16 4.354 -13.299 10.855 140 HZ3 LYS 16 2HZ LYS 16 5.477 -14.561 10.937 141 H GLY 17 H GLY 17 -3.016 -12.178 10.524 142 HA2 GLY 17 2HA GLY 17 -4.338 -13.705 11.781 143 HA3 GLY 17 3HA GLY 17 -2.901 -14.161 12.684 144 H TYR 18 H TYR 18 -3.189 -10.814 12.262 145 HA TYR 18 HA TYR 18 -4.736 -10.411 14.696 146 HB2 TYR 18 2HB TYR 18 -1.970 -9.228 14.477 147 HB3 TYR 18 3HB TYR 18 -3.036 -9.237 15.877 148 HD1 TYR 18 HD1 TYR 18 -0.826 -11.311 13.776 149 HD2 TYR 18 HD2 TYR 18 -3.120 -11.113 17.354 150 HE1 TYR 18 HE1 TYR 18 0.253 -13.372 14.576 151 HE2 TYR 18 HE2 TYR 18 -2.047 -13.173 18.164 152 HH TYR 18 HH TYR 18 -0.007 -15.108 16.119 153 HA PRO 19 HA PRO 19 -6.094 -6.787 12.623 154 HB2 PRO 19 2HB PRO 19 -6.677 -5.177 14.731 155 HB3 PRO 19 3HB PRO 19 -7.664 -6.575 14.287 156 HG2 PRO 19 2HG PRO 19 -5.570 -6.333 16.413 157 HG3 PRO 19 3HG PRO 19 -7.158 -7.119 16.491 158 HD2 PRO 19 2HD PRO 19 -4.861 -8.507 16.133 159 HD3 PRO 19 3HD PRO 19 -6.407 -9.022 15.429 160 H HIS 20 H HIS 20 -5.766 -4.348 12.596 161 HA HIS 20 HA HIS 20 -2.990 -3.799 12.355 162 HB2 HIS 20 2HB HIS 20 -5.221 -1.765 12.373 163 HB3 HIS 20 3HB HIS 20 -3.643 -1.621 11.604 164 HD1 HIS 20 HD1 HIS 20 -3.510 -4.208 10.019 165 HD2 HIS 20 HD2 HIS 20 -6.922 -1.852 10.265 166 HE1 HIS 20 HE1 HIS 20 -4.872 -4.783 7.984 167 H TRP 21 H TRP 21 -1.670 -2.432 13.551 168 HA TRP 21 HA TRP 21 -2.696 -1.282 16.019 169 HB2 TRP 21 2HB TRP 21 -2.095 -3.492 16.771 170 HB3 TRP 21 3HB TRP 21 -0.535 -3.395 15.959 171 HD1 TRP 21 HD1 TRP 21 1.282 -1.651 17.055 172 HE1 TRP 21 HE1 TRP 21 1.598 -0.925 19.504 173 HE3 TRP 21 HE3 TRP 21 -3.276 -3.039 18.906 174 HZ2 TRP 21 HZ2 TRP 21 0.111 -0.940 21.903 175 HZ3 TRP 21 HZ3 TRP 21 -3.750 -2.649 21.289 176 HH2 TRP 21 HH2 TRP 21 -2.090 -1.622 22.755 177 HA PRO 22 HA PRO 22 0.167 1.868 14.866 178 HB2 PRO 22 2HB PRO 22 0.238 3.218 17.221 179 HB3 PRO 22 3HB PRO 22 -1.138 3.289 16.114 180 HG2 PRO 22 2HG PRO 22 -0.785 1.649 18.593 181 HG3 PRO 22 3HG PRO 22 -2.207 2.554 18.043 182 HD2 PRO 22 2HD PRO 22 -1.976 -0.126 17.735 183 HD3 PRO 22 3HD PRO 22 -2.850 0.896 16.576 184 H ALA 23 H ALA 23 2.249 1.356 14.587 185 HA ALA 23 HA ALA 23 3.889 0.865 16.978 186 HB1 ALA 23 1HB ALA 23 3.674 -1.298 16.098 187 HB2 ALA 23 2HB ALA 23 3.846 -0.732 14.436 188 HB3 ALA 23 3HB ALA 23 5.239 -0.729 15.518 189 H ARG 24 H ARG 24 6.352 0.777 16.018 190 HA ARG 24 HA ARG 24 6.660 3.227 14.410 191 HB2 ARG 24 2HB ARG 24 7.240 3.814 16.648 192 HB3 ARG 24 3HB ARG 24 8.185 2.346 16.858 193 HG2 ARG 24 2HG ARG 24 9.029 4.169 14.691 194 HG3 ARG 24 3HG ARG 24 9.277 4.722 16.348 195 HD2 ARG 24 2HD ARG 24 10.361 2.460 16.771 196 HD3 ARG 24 3HD ARG 24 10.364 2.254 15.020 197 HE ARG 24 HE ARG 24 11.553 4.667 15.389 198 HH11 ARG 24 1HH1 ARG 24 12.113 1.472 16.652 199 HH12 ARG 24 2HH1 ARG 24 13.820 1.703 16.840 200 HH21 ARG 24 1HH2 ARG 24 13.799 4.984 15.632 201 HH22 ARG 24 2HH2 ARG 24 14.778 3.702 16.260 202 H VAL 25 H VAL 25 8.372 3.300 12.953 203 HA VAL 25 HA VAL 25 9.379 0.683 12.150 204 HB VAL 25 HB VAL 25 9.576 3.350 10.743 205 HG11 VAL 25 1HG1 VAL 25 10.855 0.797 10.275 206 HG12 VAL 25 2HG1 VAL 25 9.874 1.298 8.896 207 HG13 VAL 25 3HG1 VAL 25 11.143 2.359 9.509 208 HG21 VAL 25 3HG2 VAL 25 7.356 1.719 11.079 209 HG22 VAL 25 1HG2 VAL 25 7.561 2.982 9.865 210 HG23 VAL 25 2HG2 VAL 25 7.959 1.309 9.474 211 H ASP 26 H ASP 26 11.459 0.064 12.274 212 HA ASP 26 HA ASP 26 13.346 1.944 13.510 213 HB2 ASP 26 2HB ASP 26 12.708 -0.480 14.408 214 HB3 ASP 26 3HB ASP 26 13.967 -0.961 13.274 215 H GLU 27 H GLU 27 15.647 1.723 12.846 216 HA GLU 27 HA GLU 27 15.817 1.831 9.965 217 HB2 GLU 27 2HB GLU 27 18.180 2.511 10.398 218 HB3 GLU 27 3HB GLU 27 16.987 3.531 11.191 219 HG2 GLU 27 2HG GLU 27 17.396 2.460 13.302 220 HG3 GLU 27 3HG GLU 27 18.477 1.293 12.542 221 H VAL 28 H VAL 28 18.082 0.906 9.123 222 HA VAL 28 HA VAL 28 17.792 -1.879 9.017 223 HB VAL 28 HB VAL 28 20.119 -1.842 8.007 224 HG11 VAL 28 1HG1 VAL 28 19.273 -1.236 5.972 225 HG12 VAL 28 2HG1 VAL 28 17.771 -1.397 6.884 226 HG13 VAL 28 3HG1 VAL 28 18.470 0.199 6.608 227 HG21 VAL 28 3HG2 VAL 28 21.397 -0.001 8.015 228 HG22 VAL 28 1HG2 VAL 28 20.030 1.060 7.670 229 HG23 VAL 28 2HG2 VAL 28 20.351 0.545 9.326 230 HA PRO 29 HA PRO 29 19.926 -3.437 12.524 231 HB2 PRO 29 2HB PRO 29 21.029 -5.702 11.512 232 HB3 PRO 29 3HB PRO 29 19.298 -5.534 11.827 233 HG2 PRO 29 2HG PRO 29 20.788 -5.266 9.245 234 HG3 PRO 29 3HG PRO 29 19.247 -6.083 9.568 235 HD2 PRO 29 2HD PRO 29 19.383 -3.613 8.465 236 HD3 PRO 29 3HD PRO 29 18.050 -4.114 9.525 237 H ASP 30 H ASP 30 22.133 -4.371 13.184 238 HA ASP 30 HA ASP 30 24.131 -2.477 12.549 239 HB2 ASP 30 2HB ASP 30 24.312 -5.131 13.989 240 HB3 ASP 30 3HB ASP 30 25.624 -3.958 13.904 241 H GLY 31 H GLY 31 23.235 -5.484 11.129 242 HA2 GLY 31 2HA GLY 31 24.114 -5.714 8.802 243 HA3 GLY 31 3HA GLY 31 25.702 -5.434 9.501 244 H ALA 32 H ALA 32 24.610 -7.116 11.874 245 HA ALA 32 HA ALA 32 24.920 -9.754 10.605 246 HB1 ALA 32 1HB ALA 32 26.566 -10.436 12.052 247 HB2 ALA 32 2HB ALA 32 26.985 -8.734 11.852 248 HB3 ALA 32 3HB ALA 32 26.115 -9.264 13.291 249 H VAL 33 H VAL 33 22.576 -8.223 11.622 250 HA VAL 33 HA VAL 33 21.755 -9.801 13.939 251 HB VAL 33 HB VAL 33 20.056 -7.733 12.572 252 HG11 VAL 33 1HG1 VAL 33 19.892 -7.709 15.403 253 HG12 VAL 33 2HG1 VAL 33 18.662 -8.195 14.236 254 HG13 VAL 33 3HG1 VAL 33 19.797 -9.387 14.869 255 HG21 VAL 33 3HG2 VAL 33 22.176 -6.643 12.948 256 HG22 VAL 33 1HG2 VAL 33 21.008 -6.067 14.137 257 HG23 VAL 33 2HG2 VAL 33 22.233 -7.246 14.604 258 H LYS 34 H LYS 34 22.035 -10.782 11.066 259 HA LYS 34 HA LYS 34 20.826 -11.948 9.486 260 HB2 LYS 34 2HB LYS 34 19.579 -13.855 10.560 261 HB3 LYS 34 3HB LYS 34 21.249 -13.671 11.078 262 HG2 LYS 34 2HG LYS 34 20.567 -12.675 13.145 263 HG3 LYS 34 3HG LYS 34 18.883 -12.624 12.615 264 HD2 LYS 34 2HD LYS 34 20.384 -15.217 12.777 265 HD3 LYS 34 3HD LYS 34 19.612 -14.517 14.202 266 HE2 LYS 34 2HE LYS 34 17.466 -14.632 13.203 267 HE3 LYS 34 3HE LYS 34 18.147 -14.990 11.617 268 HZ1 LYS 34 3HZ LYS 34 18.030 -16.760 13.988 269 HZ2 LYS 34 1HZ LYS 34 19.031 -17.087 12.664 270 HZ3 LYS 34 2HZ LYS 34 17.354 -17.017 12.459 271 HA PRO 35 HA PRO 35 16.938 -9.412 9.985 272 HB2 PRO 35 2HB PRO 35 17.196 -8.087 7.629 273 HB3 PRO 35 3HB PRO 35 17.924 -7.518 9.136 274 HG2 PRO 35 2HG PRO 35 19.182 -9.026 6.877 275 HG3 PRO 35 3HG PRO 35 19.819 -7.650 7.796 276 HD2 PRO 35 2HD PRO 35 20.580 -10.203 8.280 277 HD3 PRO 35 3HD PRO 35 20.487 -8.975 9.559 278 HA PRO 36 HA PRO 36 14.452 -11.920 7.365 279 HB2 PRO 36 2HB PRO 36 12.502 -10.208 6.567 280 HB3 PRO 36 3HB PRO 36 12.613 -10.836 8.216 281 HG2 PRO 36 2HG PRO 36 13.506 -8.192 7.132 282 HG3 PRO 36 3HG PRO 36 12.661 -8.552 8.648 283 HD2 PRO 36 2HD PRO 36 15.327 -8.092 8.541 284 HD3 PRO 36 3HD PRO 36 14.596 -9.199 9.721 285 H THR 37 H THR 37 13.390 -12.007 5.145 286 HA THR 37 HA THR 37 15.354 -11.402 3.174 287 HB THR 37 HB THR 37 12.516 -12.378 2.793 288 HG1 THR 37 HG1 THR 37 13.499 -13.990 3.861 289 HG21 THR 37 3HG2 THR 37 13.030 -11.826 0.650 290 HG22 THR 37 1HG2 THR 37 13.875 -13.372 0.703 291 HG23 THR 37 2HG2 THR 37 14.768 -11.870 0.940 292 H ASN 38 H ASN 38 11.898 -10.547 3.061 293 HA ASN 38 HA ASN 38 12.681 -7.901 2.029 294 HB2 ASN 38 2HB ASN 38 10.478 -8.023 0.733 295 HB3 ASN 38 3HB ASN 38 11.799 -9.032 0.151 296 HD21 ASN 38 1HD2 ASN 38 8.705 -8.975 1.716 297 HD22 ASN 38 2HD2 ASN 38 8.381 -10.668 1.590 298 H LYS 39 H LYS 39 12.448 -7.921 4.621 299 HA LYS 39 HA LYS 39 9.901 -6.576 5.114 300 HB2 LYS 39 2HB LYS 39 10.994 -8.556 7.106 301 HB3 LYS 39 3HB LYS 39 9.424 -7.765 7.114 302 HG2 LYS 39 2HG LYS 39 8.948 -9.016 4.957 303 HG3 LYS 39 3HG LYS 39 10.386 -9.972 5.323 304 HD2 LYS 39 2HD LYS 39 9.374 -10.536 7.526 305 HD3 LYS 39 3HD LYS 39 7.905 -9.699 7.018 306 HE2 LYS 39 2HE LYS 39 9.150 -12.125 5.730 307 HE3 LYS 39 3HE LYS 39 7.648 -12.069 6.651 308 HZ1 LYS 39 3HZ LYS 39 7.396 -10.188 4.642 309 HZ2 LYS 39 1HZ LYS 39 6.607 -11.680 4.752 310 HZ3 LYS 39 2HZ LYS 39 8.064 -11.555 3.902 311 H LEU 40 H LEU 40 9.941 -5.253 7.088 312 HA LEU 40 HA LEU 40 12.677 -4.408 7.783 313 HB2 LEU 40 2HB LEU 40 11.395 -2.157 8.240 314 HB3 LEU 40 3HB LEU 40 11.984 -2.574 6.632 315 HG LEU 40 HG LEU 40 9.189 -3.309 7.350 316 HD11 LEU 40 1HD1 LEU 40 10.238 -0.580 7.289 317 HD12 LEU 40 2HD1 LEU 40 8.716 -1.200 7.927 318 HD13 LEU 40 3HD1 LEU 40 8.874 -0.856 6.204 319 HD21 LEU 40 3HD2 LEU 40 10.797 -2.737 4.918 320 HD22 LEU 40 1HD2 LEU 40 9.069 -2.386 4.875 321 HD23 LEU 40 2HD2 LEU 40 9.628 -4.022 5.228 322 HA PRO 41 HA PRO 41 11.730 -4.903 12.038 323 HB2 PRO 41 2HB PRO 41 13.008 -2.789 13.165 324 HB3 PRO 41 3HB PRO 41 13.864 -4.184 12.497 325 HG2 PRO 41 2HG PRO 41 13.364 -1.501 11.267 326 HG3 PRO 41 3HG PRO 41 14.845 -2.476 11.262 327 HD2 PRO 41 2HD PRO 41 13.159 -2.376 9.145 328 HD3 PRO 41 3HD PRO 41 14.100 -3.826 9.549 329 H ILE 42 H ILE 42 9.839 -4.582 13.012 330 HA ILE 42 HA ILE 42 8.721 -1.855 13.057 331 HB ILE 42 HB ILE 42 7.088 -4.391 13.020 332 HG12 ILE 42 2HG1 ILE 42 8.293 -4.149 10.896 333 HG13 ILE 42 3HG1 ILE 42 6.571 -3.857 10.679 334 HG21 ILE 42 1HG2 ILE 42 6.488 -1.662 13.581 335 HG22 ILE 42 2HG2 ILE 42 5.670 -2.132 12.092 336 HG23 ILE 42 3HG2 ILE 42 5.406 -3.054 13.572 337 HD11 ILE 42 3HD1 ILE 42 7.796 -1.373 11.245 338 HD12 ILE 42 1HD1 ILE 42 8.758 -2.184 10.010 339 HD13 ILE 42 2HD1 ILE 42 7.035 -1.911 9.748 340 H PHE 43 H PHE 43 9.020 -1.124 15.065 341 HA PHE 43 HA PHE 43 8.962 -2.896 17.345 342 HB2 PHE 43 2HB PHE 43 10.557 -0.982 17.168 343 HB3 PHE 43 3HB PHE 43 9.189 0.119 17.293 344 HD1 PHE 43 HD2 PHE 43 10.188 -2.969 19.135 345 HD2 PHE 43 HD1 PHE 43 9.162 1.157 19.333 346 HE1 PHE 43 HE2 PHE 43 10.354 -3.049 21.589 347 HE2 PHE 43 HE1 PHE 43 9.327 1.084 21.787 348 HZ PHE 43 HZ PHE 43 9.922 -1.022 22.918 349 H PHE 44 H PHE 44 7.032 -3.593 18.008 350 HA PHE 44 HA PHE 44 4.621 -2.110 17.657 351 HB2 PHE 44 2HB PHE 44 5.364 -4.697 18.956 352 HB3 PHE 44 3HB PHE 44 3.804 -3.976 19.342 353 HD1 PHE 44 HD1 PHE 44 2.811 -2.903 16.910 354 HD2 PHE 44 HD2 PHE 44 5.084 -6.451 17.511 355 HE1 PHE 44 HE1 PHE 44 1.859 -3.858 14.852 356 HE2 PHE 44 HE2 PHE 44 4.137 -7.411 15.453 357 HZ PHE 44 HZ PHE 44 2.523 -6.114 14.120 358 H PHE 45 H PHE 45 4.176 -0.343 18.790 359 HA PHE 45 HA PHE 45 5.337 0.207 21.338 360 HB2 PHE 45 2HB PHE 45 3.539 1.594 19.447 361 HB3 PHE 45 3HB PHE 45 3.346 2.039 21.140 362 HD1 PHE 45 HD1 PHE 45 6.044 1.943 22.180 363 HD2 PHE 45 HD2 PHE 45 4.642 3.327 18.407 364 HE1 PHE 45 HE1 PHE 45 7.990 3.439 22.009 365 HE2 PHE 45 HE2 PHE 45 6.586 4.824 18.230 366 HZ PHE 45 HZ PHE 45 8.264 4.881 20.032 367 H GLY 46 H GLY 46 4.348 0.317 23.361 368 HA2 GLY 46 2HA GLY 46 2.592 0.037 24.902 369 HA3 GLY 46 3HA GLY 46 1.610 -0.663 23.624 370 H THR 47 H THR 47 3.552 -2.573 22.737 371 HA THR 47 HA THR 47 3.467 -4.426 25.027 372 HB THR 47 HB THR 47 3.305 -6.260 23.466 373 HG1 THR 47 HG1 THR 47 3.057 -5.631 21.153 374 HG21 THR 47 3HG2 THR 47 1.391 -4.022 22.801 375 HG22 THR 47 1HG2 THR 47 1.193 -5.253 24.048 376 HG23 THR 47 2HG2 THR 47 1.151 -5.709 22.345 377 H HIS 48 H HIS 48 5.558 -2.567 23.309 378 HA HIS 48 HA HIS 48 7.805 -2.572 22.917 379 HB2 HIS 48 2HB HIS 48 7.536 -4.180 25.441 380 HB3 HIS 48 3HB HIS 48 9.119 -3.892 24.725 381 HD1 HIS 48 HD1 HIS 48 8.199 -0.888 23.829 382 HD2 HIS 48 HD2 HIS 48 8.190 -2.549 27.637 383 HE1 HIS 48 HE1 HIS 48 8.300 1.062 25.413 384 H GLU 49 H GLU 49 6.237 -4.568 21.505 385 HA GLU 49 HA GLU 49 8.055 -6.852 21.330 386 HB2 GLU 49 2HB GLU 49 5.347 -6.336 20.094 387 HB3 GLU 49 3HB GLU 49 6.307 -7.777 19.789 388 HG2 GLU 49 2HG GLU 49 4.988 -6.912 22.334 389 HG3 GLU 49 3HG GLU 49 4.766 -8.407 21.426 390 H THR 50 H THR 50 8.262 -7.680 18.940 391 HA THR 50 HA THR 50 8.672 -5.499 17.050 392 HB THR 50 HB THR 50 10.823 -5.459 18.010 393 HG1 THR 50 HG1 THR 50 11.449 -5.531 15.981 394 HG21 THR 50 3HG2 THR 50 11.196 -7.224 19.384 395 HG22 THR 50 1HG2 THR 50 12.051 -7.854 17.977 396 HG23 THR 50 2HG2 THR 50 10.397 -8.369 18.308 397 H ALA 51 H ALA 51 7.975 -6.109 15.114 398 HA ALA 51 HA ALA 51 8.120 -8.960 14.390 399 HB1 ALA 51 1HB ALA 51 5.943 -8.552 13.134 400 HB2 ALA 51 2HB ALA 51 5.846 -8.659 14.893 401 HB3 ALA 51 3HB ALA 51 5.792 -7.084 14.101 402 H PHE 52 H PHE 52 8.510 -9.430 12.228 403 HA PHE 52 HA PHE 52 9.592 -7.187 10.680 404 HB2 PHE 52 2HB PHE 52 10.091 -10.155 10.628 405 HB3 PHE 52 3HB PHE 52 10.592 -9.119 9.296 406 HD1 PHE 52 HD1 PHE 52 11.706 -6.797 10.397 407 HD2 PHE 52 HD2 PHE 52 11.853 -10.756 11.953 408 HE1 PHE 52 HE1 PHE 52 13.775 -6.240 11.608 409 HE2 PHE 52 HE2 PHE 52 13.921 -10.206 13.167 410 HZ PHE 52 HZ PHE 52 14.884 -7.946 12.996 411 H LEU 53 H LEU 53 8.260 -6.340 9.230 412 HA LEU 53 HA LEU 53 6.755 -8.130 7.475 413 HB2 LEU 53 2HB LEU 53 5.460 -5.685 8.639 414 HB3 LEU 53 3HB LEU 53 4.707 -6.997 7.735 415 HG LEU 53 HG LEU 53 5.908 -7.410 10.461 416 HD11 LEU 53 1HD1 LEU 53 4.209 -5.655 10.623 417 HD12 LEU 53 2HD1 LEU 53 3.678 -7.151 11.391 418 HD13 LEU 53 3HD1 LEU 53 3.051 -6.704 9.805 419 HD21 LEU 53 3HD2 LEU 53 5.389 -9.526 10.048 420 HD22 LEU 53 1HD2 LEU 53 4.703 -9.086 8.484 421 HD23 LEU 53 2HD2 LEU 53 3.690 -9.063 9.928 422 H GLY 54 H GLY 54 6.614 -7.441 5.390 423 HA2 GLY 54 2HA GLY 54 8.389 -5.416 4.516 424 HA3 GLY 54 3HA GLY 54 7.215 -6.258 3.515 425 HA PRO 55 HA PRO 55 6.024 -1.747 4.075 426 HB2 PRO 55 2HB PRO 55 6.101 -1.091 1.442 427 HB3 PRO 55 3HB PRO 55 7.508 -0.966 2.505 428 HG2 PRO 55 2HG PRO 55 6.789 -3.126 0.560 429 HG3 PRO 55 3HG PRO 55 8.365 -2.370 0.861 430 HD2 PRO 55 2HD PRO 55 7.687 -4.784 1.884 431 HD3 PRO 55 3HD PRO 55 8.765 -3.657 2.731 432 H LYS 56 H LYS 56 5.097 -4.254 1.780 433 HA LYS 56 HA LYS 56 2.546 -3.112 1.167 434 HB2 LYS 56 2HB LYS 56 3.405 -5.985 0.812 435 HB3 LYS 56 3HB LYS 56 2.113 -5.148 -0.038 436 HG2 LYS 56 2HG LYS 56 3.927 -3.601 -0.934 437 HG3 LYS 56 3HG LYS 56 5.077 -4.801 -0.339 438 HD2 LYS 56 2HD LYS 56 2.795 -5.646 -2.080 439 HD3 LYS 56 3HD LYS 56 4.236 -4.924 -2.801 440 HE2 LYS 56 2HE LYS 56 4.787 -7.152 -2.865 441 HE3 LYS 56 3HE LYS 56 5.487 -6.681 -1.317 442 HZ1 LYS 56 3HZ LYS 56 3.822 -7.738 -0.146 443 HZ2 LYS 56 1HZ LYS 56 4.047 -8.792 -1.450 444 HZ3 LYS 56 2HZ LYS 56 2.735 -7.725 -1.442 445 H ASP 57 H ASP 57 3.736 -4.584 3.897 446 HA ASP 57 HA ASP 57 1.146 -5.742 4.651 447 HB2 ASP 57 2HB ASP 57 3.955 -6.228 5.461 448 HB3 ASP 57 3HB ASP 57 2.743 -6.369 6.731 449 H ILE 58 H ILE 58 3.329 -3.139 5.334 450 HA ILE 58 HA ILE 58 1.827 -2.370 7.724 451 HB ILE 58 HB ILE 58 3.561 -0.579 7.940 452 HG12 ILE 58 2HG1 ILE 58 4.927 -2.089 5.702 453 HG13 ILE 58 3HG1 ILE 58 4.161 -0.514 5.522 454 HG21 ILE 58 1HG2 ILE 58 4.980 -3.196 7.751 455 HG22 ILE 58 2HG2 ILE 58 5.046 -1.969 9.016 456 HG23 ILE 58 3HG2 ILE 58 3.634 -3.016 8.876 457 HD11 ILE 58 3HD1 ILE 58 5.759 0.516 6.933 458 HD12 ILE 58 1HD1 ILE 58 6.411 -1.041 7.440 459 HD13 ILE 58 2HD1 ILE 58 6.647 -0.483 5.784 460 H PHE 59 H PHE 59 0.496 -0.646 7.815 461 HA PHE 59 HA PHE 59 0.192 0.950 5.357 462 HB2 PHE 59 2HB PHE 59 -1.786 -0.363 7.120 463 HB3 PHE 59 3HB PHE 59 -2.203 1.262 6.585 464 HD1 PHE 59 HD2 PHE 59 -0.987 -1.992 5.239 465 HD2 PHE 59 HD1 PHE 59 -3.277 1.532 4.568 466 HE1 PHE 59 HE2 PHE 59 -1.753 -2.904 3.087 467 HE2 PHE 59 HE1 PHE 59 -4.048 0.626 2.414 468 HZ PHE 59 HZ PHE 59 -3.285 -1.595 1.670 469 HA PRO 60 HA PRO 60 0.846 4.663 7.597 470 HB2 PRO 60 2HB PRO 60 -1.003 6.341 6.531 471 HB3 PRO 60 3HB PRO 60 0.432 5.808 5.648 472 HG2 PRO 60 2HG PRO 60 -2.376 4.786 5.489 473 HG3 PRO 60 3HG PRO 60 -1.229 5.112 4.177 474 HD2 PRO 60 2HD PRO 60 -1.695 2.616 5.117 475 HD3 PRO 60 3HD PRO 60 -0.113 3.119 4.488 476 H TYR 61 H TYR 61 0.335 5.305 9.592 477 HA TYR 61 HA TYR 61 -1.974 4.394 10.930 478 HB2 TYR 61 2HB TYR 61 -0.987 5.201 12.813 479 HB3 TYR 61 3HB TYR 61 0.422 5.297 11.762 480 HD1 TYR 61 HD1 TYR 61 0.826 7.541 10.555 481 HD2 TYR 61 HD2 TYR 61 -1.766 7.109 13.901 482 HE1 TYR 61 HE1 TYR 61 0.985 9.958 10.982 483 HE2 TYR 61 HE2 TYR 61 -1.615 9.525 14.337 484 HH TYR 61 HH TYR 61 0.482 11.616 12.390 485 H SER 62 H SER 62 -1.487 7.029 8.861 486 HA SER 62 HA SER 62 -3.325 8.880 9.981 487 HB2 SER 62 2HB SER 62 -2.868 10.194 8.155 488 HB3 SER 62 3HB SER 62 -1.479 9.112 8.065 489 HG SER 62 HG SER 62 -3.351 9.498 6.244 490 H GLU 63 H GLU 63 -3.715 5.959 8.258 491 HA GLU 63 HA GLU 63 -6.429 6.628 7.404 492 HB2 GLU 63 2HB GLU 63 -4.482 5.125 6.209 493 HB3 GLU 63 3HB GLU 63 -5.465 3.883 6.974 494 HG2 GLU 63 2HG GLU 63 -7.451 4.786 5.846 495 HG3 GLU 63 3HG GLU 63 -6.432 5.981 5.045 496 H ASN 64 H ASN 64 -4.700 4.739 9.766 497 HA ASN 64 HA ASN 64 -7.072 3.311 10.624 498 HB2 ASN 64 2HB ASN 64 -4.291 3.396 11.816 499 HB3 ASN 64 3HB ASN 64 -5.583 2.306 12.311 500 HD21 ASN 64 1HD2 ASN 64 -3.356 3.135 9.755 501 HD22 ASN 64 2HD2 ASN 64 -3.450 1.626 8.919 502 H LYS 65 H LYS 65 -5.025 5.952 11.750 503 HA LYS 65 HA LYS 65 -6.088 6.306 14.298 504 HB2 LYS 65 2HB LYS 65 -5.092 8.443 14.291 505 HB3 LYS 65 3HB LYS 65 -4.076 7.463 13.242 506 HG2 LYS 65 2HG LYS 65 -5.244 8.413 11.284 507 HG3 LYS 65 3HG LYS 65 -6.162 9.454 12.374 508 HD2 LYS 65 2HD LYS 65 -3.163 9.430 12.029 509 HD3 LYS 65 3HD LYS 65 -4.275 10.661 11.423 510 HE2 LYS 65 2HE LYS 65 -4.955 11.108 13.776 511 HE3 LYS 65 3HE LYS 65 -3.703 9.986 14.306 512 HZ1 LYS 65 3HZ LYS 65 -2.414 11.791 14.351 513 HZ2 LYS 65 1HZ LYS 65 -3.462 12.703 13.385 514 HZ3 LYS 65 2HZ LYS 65 -2.352 11.648 12.667 515 H GLU 66 H GLU 66 -7.413 7.071 11.188 516 HA GLU 66 HA GLU 66 -9.462 8.812 12.276 517 HB2 GLU 66 2HB GLU 66 -10.232 9.034 9.984 518 HB3 GLU 66 3HB GLU 66 -8.491 9.267 10.056 519 HG2 GLU 66 2HG GLU 66 -8.047 7.232 9.032 520 HG3 GLU 66 3HG GLU 66 -9.648 6.591 9.395 521 H LYS 67 H LYS 67 -9.007 5.484 11.678 522 HA LYS 67 HA LYS 67 -11.754 4.779 11.287 523 HB2 LYS 67 2HB LYS 67 -9.187 3.348 11.619 524 HB3 LYS 67 3HB LYS 67 -10.620 2.473 12.142 525 HG2 LYS 67 2HG LYS 67 -10.699 3.778 9.481 526 HG3 LYS 67 3HG LYS 67 -9.703 2.333 9.665 527 HD2 LYS 67 2HD LYS 67 -11.829 1.571 8.969 528 HD3 LYS 67 3HD LYS 67 -11.736 1.229 10.698 529 HE2 LYS 67 2HE LYS 67 -13.909 2.165 10.091 530 HE3 LYS 67 3HE LYS 67 -13.028 3.241 11.175 531 HZ1 LYS 67 3HZ LYS 67 -12.865 3.612 8.256 532 HZ2 LYS 67 1HZ LYS 67 -12.621 4.744 9.489 533 HZ3 LYS 67 2HZ LYS 67 -14.187 4.222 9.118 534 H TYR 68 H TYR 68 -9.532 4.110 14.001 535 HA TYR 68 HA TYR 68 -11.800 4.477 15.836 536 HB2 TYR 68 2HB TYR 68 -9.812 2.423 16.596 537 HB3 TYR 68 3HB TYR 68 -11.556 2.447 16.832 538 HD1 TYR 68 HD1 TYR 68 -13.062 1.688 15.036 539 HD2 TYR 68 HD2 TYR 68 -8.833 1.407 14.655 540 HE1 TYR 68 HE1 TYR 68 -13.341 0.111 13.169 541 HE2 TYR 68 HE2 TYR 68 -9.101 -0.170 12.786 542 HH TYR 68 HH TYR 68 -11.833 -1.799 12.133 543 H GLY 69 H GLY 69 -8.427 4.802 15.142 544 HA2 GLY 69 2HA GLY 69 -6.874 6.231 16.081 545 HA3 GLY 69 3HA GLY 69 -8.124 6.796 17.179 546 H LYS 70 H LYS 70 -8.468 3.753 17.784 547 HA LYS 70 HA LYS 70 -6.065 3.247 19.337 548 HB2 LYS 70 2HB LYS 70 -6.923 3.517 21.420 549 HB3 LYS 70 3HB LYS 70 -7.974 4.662 20.597 550 HG2 LYS 70 2HG LYS 70 -9.589 2.718 20.297 551 HG3 LYS 70 3HG LYS 70 -8.591 1.862 21.476 552 HD2 LYS 70 2HD LYS 70 -9.007 3.558 23.133 553 HD3 LYS 70 3HD LYS 70 -9.860 4.557 21.954 554 HE2 LYS 70 2HE LYS 70 -11.643 2.982 21.800 555 HE3 LYS 70 3HE LYS 70 -10.746 1.786 22.734 556 HZ1 LYS 70 3HZ LYS 70 -12.294 2.738 24.201 557 HZ2 LYS 70 1HZ LYS 70 -11.947 4.315 23.696 558 HZ3 LYS 70 2HZ LYS 70 -10.813 3.449 24.604 559 HA PRO 71 HA PRO 71 -7.012 -0.971 18.595 560 HB2 PRO 71 2HB PRO 71 -6.181 -2.177 20.881 561 HB3 PRO 71 3HB PRO 71 -5.063 -1.508 19.686 562 HG2 PRO 71 2HG PRO 71 -6.022 -0.316 22.260 563 HG3 PRO 71 3HG PRO 71 -4.385 -0.336 21.577 564 HD2 PRO 71 2HD PRO 71 -6.005 1.828 21.414 565 HD3 PRO 71 3HD PRO 71 -4.822 1.424 20.154 566 H ASN 72 H ASN 72 -8.613 -2.478 18.853 567 HA ASN 72 HA ASN 72 -10.716 -1.801 20.772 568 HB2 ASN 72 2HB ASN 72 -11.038 -2.191 18.196 569 HB3 ASN 72 3HB ASN 72 -11.027 -3.892 18.649 570 HD21 ASN 72 1HD2 ASN 72 -12.935 -4.729 19.028 571 HD22 ASN 72 2HD2 ASN 72 -14.334 -3.878 19.580 572 H LYS 73 H LYS 73 -9.176 -4.754 19.491 573 HA LYS 73 HA LYS 73 -9.570 -5.985 22.141 574 HB2 LYS 73 2HB LYS 73 -10.843 -6.873 20.010 575 HB3 LYS 73 3HB LYS 73 -9.301 -7.647 19.669 576 HG2 LYS 73 2HG LYS 73 -9.382 -8.847 21.749 577 HG3 LYS 73 3HG LYS 73 -10.839 -7.978 22.236 578 HD2 LYS 73 2HD LYS 73 -11.886 -8.938 20.097 579 HD3 LYS 73 3HD LYS 73 -10.512 -10.047 20.084 580 HE2 LYS 73 2HE LYS 73 -11.163 -10.576 22.505 581 HE3 LYS 73 3HE LYS 73 -12.690 -9.775 22.134 582 HZ1 LYS 73 3HZ LYS 73 -13.380 -11.493 20.900 583 HZ2 LYS 73 1HZ LYS 73 -12.205 -12.381 21.732 584 HZ3 LYS 73 2HZ LYS 73 -11.864 -11.755 20.198 585 H ARG 74 H ARG 74 -7.290 -4.428 21.252 586 HA ARG 74 HA ARG 74 -5.219 -6.524 21.244 587 HB2 ARG 74 2HB ARG 74 -5.168 -3.737 20.084 588 HB3 ARG 74 3HB ARG 74 -3.729 -4.730 20.274 589 HG2 ARG 74 2HG ARG 74 -6.140 -5.420 18.607 590 HG3 ARG 74 3HG ARG 74 -4.587 -4.839 18.003 591 HD2 ARG 74 2HD ARG 74 -4.080 -7.010 17.789 592 HD3 ARG 74 3HD ARG 74 -3.833 -6.965 19.535 593 HE ARG 74 HE ARG 74 -6.548 -7.508 18.780 594 HH11 ARG 74 1HH1 ARG 74 -3.410 -8.905 19.345 595 HH12 ARG 74 2HH1 ARG 74 -4.032 -10.482 19.704 596 HH21 ARG 74 1HH2 ARG 74 -7.380 -9.579 19.251 597 HH22 ARG 74 2HH2 ARG 74 -6.291 -10.864 19.649 598 H LYS 75 H LYS 75 -3.978 -6.654 22.991 599 HA LYS 75 HA LYS 75 -4.359 -5.034 25.253 600 HB2 LYS 75 2HB LYS 75 -3.462 -7.394 25.208 601 HB3 LYS 75 3HB LYS 75 -1.924 -6.725 24.676 602 HG2 LYS 75 2HG LYS 75 -1.493 -5.739 26.712 603 HG3 LYS 75 3HG LYS 75 -3.197 -5.692 27.169 604 HD2 LYS 75 2HD LYS 75 -3.072 -8.247 27.196 605 HD3 LYS 75 3HD LYS 75 -1.320 -8.039 27.163 606 HE2 LYS 75 2HE LYS 75 -1.831 -8.224 29.435 607 HE3 LYS 75 3HE LYS 75 -1.658 -6.489 29.174 608 HZ1 LYS 75 3HZ LYS 75 -3.740 -7.603 30.407 609 HZ2 LYS 75 1HZ LYS 75 -4.336 -7.544 28.825 610 HZ3 LYS 75 2HZ LYS 75 -3.822 -6.125 29.588 611 H GLY 76 H GLY 76 -3.202 -3.353 26.131 612 HA2 GLY 76 2HA GLY 76 -1.154 -2.025 26.199 613 HA3 GLY 76 3HA GLY 76 -1.039 -2.237 24.458 614 H PHE 77 H PHE 77 -4.222 -1.791 25.047 615 HA PHE 77 HA PHE 77 -4.422 0.671 23.802 616 HB2 PHE 77 2HB PHE 77 -6.727 0.712 24.511 617 HB3 PHE 77 3HB PHE 77 -6.291 -0.951 24.133 618 HD1 PHE 77 HD2 PHE 77 -6.083 -2.614 25.888 619 HD2 PHE 77 HD1 PHE 77 -7.208 1.396 26.768 620 HE1 PHE 77 HE2 PHE 77 -6.848 -3.321 28.117 621 HE2 PHE 77 HE1 PHE 77 -7.974 0.696 28.999 622 HZ PHE 77 HZ PHE 77 -7.796 -1.666 29.675 623 H ASN 78 H ASN 78 -4.244 2.740 24.418 624 HA ASN 78 HA ASN 78 -3.895 4.585 25.703 625 HB2 ASN 78 2HB ASN 78 -5.672 2.937 27.257 626 HB3 ASN 78 3HB ASN 78 -4.556 3.781 28.327 627 HD21 ASN 78 1HD2 ASN 78 -4.198 6.165 27.427 628 HD22 ASN 78 2HD2 ASN 78 -5.673 7.033 27.191 629 H GLU 79 H GLU 79 -1.972 2.233 25.528 630 HA GLU 79 HA GLU 79 -0.250 3.037 27.782 631 HB2 GLU 79 2HB GLU 79 -0.094 0.367 26.395 632 HB3 GLU 79 3HB GLU 79 0.648 0.844 27.915 633 HG2 GLU 79 2HG GLU 79 -2.218 0.204 27.345 634 HG3 GLU 79 3HG GLU 79 -1.136 -0.512 28.538 635 H GLY 80 H GLY 80 0.055 4.695 25.848 636 HA2 GLY 80 2HA GLY 80 2.251 5.363 24.963 637 HA3 GLY 80 3HA GLY 80 2.396 3.733 24.321 638 H LEU 81 H LEU 81 -0.748 4.546 23.911 639 HA LEU 81 HA LEU 81 -0.519 4.800 21.103 640 HB2 LEU 81 2HB LEU 81 -2.475 3.805 22.054 641 HB3 LEU 81 3HB LEU 81 -2.824 5.261 22.984 642 HG LEU 81 HG LEU 81 -2.890 6.221 20.437 643 HD11 LEU 81 1HD1 LEU 81 -3.882 4.732 18.959 644 HD12 LEU 81 2HD1 LEU 81 -4.320 3.598 20.236 645 HD13 LEU 81 3HD1 LEU 81 -2.636 3.754 19.735 646 HD21 LEU 81 3HD2 LEU 81 -5.278 6.290 20.712 647 HD22 LEU 81 1HD2 LEU 81 -4.517 6.561 22.280 648 HD23 LEU 81 2HD2 LEU 81 -5.221 4.988 21.901 649 H TRP 82 H TRP 82 -0.800 7.113 23.708 650 HA TRP 82 HA TRP 82 -1.365 9.348 21.992 651 HB2 TRP 82 2HB TRP 82 -2.162 9.476 24.246 652 HB3 TRP 82 3HB TRP 82 -0.559 9.145 24.896 653 HD1 TRP 82 HD1 TRP 82 -2.679 11.959 23.441 654 HE1 TRP 82 HE1 TRP 82 -1.486 14.201 23.862 655 HE3 TRP 82 HE3 TRP 82 1.779 10.187 25.206 656 HZ2 TRP 82 HZ2 TRP 82 1.014 15.099 24.815 657 HZ3 TRP 82 HZ3 TRP 82 3.519 11.803 25.850 658 HH2 TRP 82 HH2 TRP 82 3.143 14.208 25.657 659 H GLU 83 H GLU 83 1.422 7.606 22.812 660 HA GLU 83 HA GLU 83 3.289 9.784 22.561 661 HB2 GLU 83 2HB GLU 83 3.537 6.807 22.843 662 HB3 GLU 83 3HB GLU 83 4.935 7.771 22.387 663 HG2 GLU 83 2HG GLU 83 4.987 8.890 24.421 664 HG3 GLU 83 3HG GLU 83 3.319 8.468 24.805 665 H ILE 84 H ILE 84 1.805 7.450 20.461 666 HA ILE 84 HA ILE 84 3.632 7.520 18.325 667 HB ILE 84 HB ILE 84 1.674 5.917 18.650 668 HG12 ILE 84 2HG1 ILE 84 2.092 7.192 15.937 669 HG13 ILE 84 3HG1 ILE 84 3.089 5.925 16.645 670 HG21 ILE 84 1HG2 ILE 84 -0.457 6.535 18.253 671 HG22 ILE 84 2HG2 ILE 84 0.150 8.141 18.652 672 HG23 ILE 84 3HG2 ILE 84 -0.005 7.651 16.965 673 HD11 ILE 84 3HD1 ILE 84 0.843 5.628 15.013 674 HD12 ILE 84 1HD1 ILE 84 1.741 4.364 15.854 675 HD13 ILE 84 2HD1 ILE 84 0.342 5.114 16.624 676 H ASP 85 H ASP 85 1.378 9.838 19.462 677 HA ASP 85 HA ASP 85 1.697 11.402 16.985 678 HB2 ASP 85 2HB ASP 85 -0.663 10.666 17.843 679 HB3 ASP 85 3HB ASP 85 -0.449 11.979 18.998 680 H ASN 86 H ASN 86 3.062 11.118 19.858 681 HA ASN 86 HA ASN 86 3.623 13.990 20.045 682 HB2 ASN 86 2HB ASN 86 2.810 12.176 22.315 683 HB3 ASN 86 3HB ASN 86 3.675 13.687 22.581 684 HD21 ASN 86 1HD2 ASN 86 0.761 12.313 21.155 685 HD22 ASN 86 2HD2 ASN 86 -0.225 13.714 21.377 686 H ASN 87 H ASN 87 4.569 11.053 21.833 687 HA ASN 87 HA ASN 87 7.375 11.711 21.226 688 HB2 ASN 87 2HB ASN 87 6.798 11.844 23.625 689 HB3 ASN 87 3HB ASN 87 6.275 10.163 23.583 690 HD21 ASN 87 1HD2 ASN 87 7.936 10.213 25.372 691 HD22 ASN 87 2HD2 ASN 87 9.563 9.842 24.924 692 HA PRO 88 HA PRO 88 6.396 7.716 19.068 693 HB2 PRO 88 2HB PRO 88 7.660 8.383 16.760 694 HB3 PRO 88 3HB PRO 88 5.974 8.802 17.088 695 HG2 PRO 88 2HG PRO 88 8.430 10.494 17.341 696 HG3 PRO 88 3HG PRO 88 6.844 10.918 16.671 697 HD2 PRO 88 2HD PRO 88 7.607 11.630 19.170 698 HD3 PRO 88 3HD PRO 88 5.919 11.271 18.753 699 H LYS 89 H LYS 89 9.129 9.420 20.107 700 HA LYS 89 HA LYS 89 10.893 7.145 19.475 701 HB2 LYS 89 2HB LYS 89 11.440 10.079 19.806 702 HB3 LYS 89 3HB LYS 89 12.722 8.901 20.050 703 HG2 LYS 89 2HG LYS 89 12.986 9.515 17.838 704 HG3 LYS 89 3HG LYS 89 12.055 8.020 17.723 705 HD2 LYS 89 2HD LYS 89 10.037 9.209 17.319 706 HD3 LYS 89 3HD LYS 89 10.784 10.751 17.746 707 HE2 LYS 89 2HE LYS 89 11.678 9.060 15.420 708 HE3 LYS 89 3HE LYS 89 10.468 10.334 15.281 709 HZ1 LYS 89 3HZ LYS 89 13.153 10.661 15.036 710 HZ2 LYS 89 1HZ LYS 89 12.852 11.205 16.609 711 HZ3 LYS 89 2HZ LYS 89 12.031 11.898 15.304 712 H VAL 90 H VAL 90 9.035 7.235 21.689 713 HA VAL 90 HA VAL 90 10.345 7.907 24.106 714 HB VAL 90 HB VAL 90 7.903 7.629 23.949 715 HG11 VAL 90 1HG1 VAL 90 8.602 4.724 23.563 716 HG12 VAL 90 2HG1 VAL 90 6.992 5.296 24.006 717 HG13 VAL 90 3HG1 VAL 90 7.705 5.773 22.465 718 HG21 VAL 90 3HG2 VAL 90 9.506 7.033 26.051 719 HG22 VAL 90 1HG2 VAL 90 7.745 7.091 26.129 720 HG23 VAL 90 2HG2 VAL 90 8.567 5.545 25.915 721 H LYS 91 H LYS 91 10.554 5.189 21.994 722 HA LYS 91 HA LYS 91 11.371 3.165 23.716 723 HB2 LYS 91 2HB LYS 91 12.546 2.214 21.744 724 HB3 LYS 91 3HB LYS 91 10.893 2.703 21.397 725 HG2 LYS 91 2HG LYS 91 11.815 3.667 19.599 726 HG3 LYS 91 3HG LYS 91 12.226 4.957 20.732 727 HD2 LYS 91 2HD LYS 91 14.345 3.414 21.138 728 HD3 LYS 91 3HD LYS 91 13.957 2.875 19.502 729 HE2 LYS 91 2HE LYS 91 14.063 5.165 18.700 730 HE3 LYS 91 3HE LYS 91 14.366 5.746 20.336 731 HZ1 LYS 91 3HZ LYS 91 16.156 3.854 18.918 732 HZ2 LYS 91 1HZ LYS 91 16.464 4.672 20.366 733 HZ3 LYS 91 2HZ LYS 91 16.379 5.531 18.912 734 H PHE 92 H PHE 92 13.111 5.937 22.507 735 HA PHE 92 HA PHE 92 15.738 5.163 22.963 736 HB2 PHE 92 2HB PHE 92 15.082 7.265 21.839 737 HB3 PHE 92 3HB PHE 92 14.544 7.911 23.385 738 HD1 PHE 92 HD1 PHE 92 17.597 6.243 22.023 739 HD2 PHE 92 HD2 PHE 92 15.971 9.398 24.372 740 HE1 PHE 92 HE1 PHE 92 19.867 7.088 22.453 741 HE2 PHE 92 HE2 PHE 92 18.239 10.249 24.805 742 HZ PHE 92 HZ PHE 92 20.191 9.094 23.844 743 H SER 93 H SER 93 13.253 6.106 25.215 744 HA SER 93 HA SER 93 15.161 6.200 27.427 745 HB2 SER 93 2HB SER 93 13.594 7.977 27.535 746 HB3 SER 93 3HB SER 93 12.237 6.905 27.190 747 HG SER 93 HG SER 93 12.200 7.263 29.362 Start of MODEL 13 1 H MET 1 H MET 1 2.161 -0.424 1.929 2 HA MET 1 HA MET 1 1.263 0.167 -0.812 3 HB2 MET 1 2HB MET 1 3.298 1.545 0.939 4 HB3 MET 1 3HB MET 1 3.140 1.867 -0.783 5 HG2 MET 1 2HG MET 1 0.921 2.211 1.218 6 HG3 MET 1 3HG MET 1 1.985 3.505 0.672 7 HE1 MET 1 3HE MET 1 -1.874 2.674 -0.508 8 HE2 MET 1 1HE MET 1 -1.234 1.173 -1.179 9 HE3 MET 1 2HE MET 1 -0.895 1.605 0.497 10 H THR 2 H THR 2 3.490 0.546 -2.177 11 HA THR 2 HA THR 2 4.958 -1.997 -1.917 12 HB THR 2 HB THR 2 5.322 -1.919 -4.346 13 HG1 THR 2 HG1 THR 2 5.175 0.329 -4.676 14 HG21 THR 2 3HG2 THR 2 2.951 -2.535 -3.028 15 HG22 THR 2 1HG2 THR 2 3.418 -3.048 -4.649 16 HG23 THR 2 2HG2 THR 2 2.443 -1.594 -4.430 17 H ARG 3 H ARG 3 5.358 1.077 -1.177 18 HA ARG 3 HA ARG 3 8.127 1.224 -2.172 19 HB2 ARG 3 2HB ARG 3 6.526 3.539 -1.092 20 HB3 ARG 3 3HB ARG 3 8.017 3.593 -2.023 21 HG2 ARG 3 2HG ARG 3 5.329 2.702 -3.047 22 HG3 ARG 3 3HG ARG 3 6.105 4.253 -3.371 23 HD2 ARG 3 2HD ARG 3 7.066 1.522 -4.210 24 HD3 ARG 3 3HD ARG 3 6.443 2.798 -5.256 25 HE ARG 3 HE ARG 3 8.643 3.816 -3.873 26 HH11 ARG 3 1HH1 ARG 3 7.930 1.392 -6.269 27 HH12 ARG 3 2HH1 ARG 3 9.483 1.500 -7.029 28 HH21 ARG 3 1HH2 ARG 3 10.691 3.966 -4.865 29 HH22 ARG 3 2HH2 ARG 3 11.053 2.964 -6.229 30 H ASP 4 H ASP 4 9.791 1.709 -0.743 31 HA ASP 4 HA ASP 4 9.564 0.674 1.858 32 HB2 ASP 4 2HB ASP 4 11.670 2.235 0.405 33 HB3 ASP 4 3HB ASP 4 11.839 1.942 2.134 34 H PHE 5 H PHE 5 9.803 1.738 3.897 35 HA PHE 5 HA PHE 5 8.514 4.373 3.923 36 HB2 PHE 5 2HB PHE 5 8.510 2.035 5.744 37 HB3 PHE 5 3HB PHE 5 8.458 3.618 6.512 38 HD1 PHE 5 HD2 PHE 5 6.579 5.146 6.071 39 HD2 PHE 5 HD1 PHE 5 6.643 1.169 4.556 40 HE1 PHE 5 HE2 PHE 5 4.159 5.273 5.646 41 HE2 PHE 5 HE1 PHE 5 4.223 1.290 4.127 42 HZ PHE 5 HZ PHE 5 2.977 3.344 4.673 43 H LYS 6 H LYS 6 9.165 5.565 6.126 44 HA LYS 6 HA LYS 6 12.082 5.880 5.977 45 HB2 LYS 6 2HB LYS 6 9.820 7.739 6.542 46 HB3 LYS 6 3HB LYS 6 11.368 8.068 7.309 47 HG2 LYS 6 2HG LYS 6 12.355 7.865 4.950 48 HG3 LYS 6 3HG LYS 6 10.688 8.024 4.393 49 HD2 LYS 6 2HD LYS 6 11.852 9.988 6.336 50 HD3 LYS 6 3HD LYS 6 12.145 10.150 4.603 51 HE2 LYS 6 2HE LYS 6 9.549 9.880 4.443 52 HE3 LYS 6 3HE LYS 6 9.590 10.385 6.131 53 HZ1 LYS 6 3HZ LYS 6 9.468 12.410 5.170 54 HZ2 LYS 6 1HZ LYS 6 10.183 11.909 3.720 55 HZ3 LYS 6 2HZ LYS 6 11.148 12.233 5.071 56 HA PRO 7 HA PRO 7 12.750 4.554 10.106 57 HB2 PRO 7 2HB PRO 7 14.617 6.313 10.994 58 HB3 PRO 7 3HB PRO 7 14.973 5.052 9.808 59 HG2 PRO 7 2HG PRO 7 14.399 7.957 9.370 60 HG3 PRO 7 3HG PRO 7 15.631 6.933 8.610 61 HD2 PRO 7 2HD PRO 7 13.302 7.566 7.381 62 HD3 PRO 7 3HD PRO 7 14.131 6.018 7.119 63 H GLY 8 H GLY 8 11.405 4.752 11.778 64 HA2 GLY 8 2HA GLY 8 10.424 5.730 13.641 65 HA3 GLY 8 3HA GLY 8 11.162 7.260 13.189 66 H ASP 9 H ASP 9 9.190 5.367 11.003 67 HA ASP 9 HA ASP 9 7.320 7.598 10.825 68 HB2 ASP 9 2HB ASP 9 8.439 6.236 8.847 69 HB3 ASP 9 3HB ASP 9 7.070 5.160 9.119 70 H LEU 10 H LEU 10 5.154 7.466 11.267 71 HA LEU 10 HA LEU 10 4.355 5.329 13.048 72 HB2 LEU 10 2HB LEU 10 2.839 7.760 12.108 73 HB3 LEU 10 3HB LEU 10 2.336 6.664 13.394 74 HG LEU 10 HG LEU 10 3.181 8.499 14.539 75 HD11 LEU 10 1HD1 LEU 10 4.982 7.674 15.752 76 HD12 LEU 10 2HD1 LEU 10 5.699 6.890 14.345 77 HD13 LEU 10 3HD1 LEU 10 4.244 6.218 15.082 78 HD21 LEU 10 3HD2 LEU 10 5.742 8.638 13.031 79 HD22 LEU 10 1HD2 LEU 10 4.847 9.911 13.861 80 HD23 LEU 10 2HD2 LEU 10 4.291 9.318 12.295 81 H ILE 11 H ILE 11 3.530 3.508 12.280 82 HA ILE 11 HA ILE 11 1.427 3.607 10.279 83 HB ILE 11 HB ILE 11 2.462 1.839 8.891 84 HG12 ILE 11 2HG1 ILE 11 5.108 1.880 9.210 85 HG13 ILE 11 3HG1 ILE 11 4.653 2.211 10.877 86 HG21 ILE 11 1HG2 ILE 11 3.669 3.303 7.557 87 HG22 ILE 11 2HG2 ILE 11 2.655 4.387 8.508 88 HG23 ILE 11 3HG2 ILE 11 4.349 4.161 8.940 89 HD11 ILE 11 3HD1 ILE 11 3.040 0.083 10.108 90 HD12 ILE 11 1HD1 ILE 11 4.626 -0.269 9.422 91 HD13 ILE 11 2HD1 ILE 11 4.459 0.025 11.153 92 H PHE 12 H PHE 12 0.010 1.896 10.393 93 HA PHE 12 HA PHE 12 0.076 0.367 12.822 94 HB2 PHE 12 2HB PHE 12 -1.866 0.820 10.620 95 HB3 PHE 12 3HB PHE 12 -2.031 -0.678 11.531 96 HD1 PHE 12 HD1 PHE 12 -0.856 2.539 12.903 97 HD2 PHE 12 HD2 PHE 12 -4.076 -0.230 12.616 98 HE1 PHE 12 HE1 PHE 12 -2.055 3.755 14.675 99 HE2 PHE 12 HE2 PHE 12 -5.281 0.982 14.387 100 HZ PHE 12 HZ PHE 12 -4.271 2.977 15.418 101 H ALA 13 H ALA 13 1.289 -1.392 13.011 102 HA ALA 13 HA ALA 13 2.110 -2.931 10.721 103 HB1 ALA 13 1HB ALA 13 2.660 -4.165 13.285 104 HB2 ALA 13 2HB ALA 13 3.775 -3.603 12.038 105 HB3 ALA 13 3HB ALA 13 3.155 -2.472 13.242 106 H LYS 14 H LYS 14 1.170 -4.696 9.926 107 HA LYS 14 HA LYS 14 -1.008 -5.925 11.478 108 HB2 LYS 14 2HB LYS 14 -1.866 -5.049 9.441 109 HB3 LYS 14 3HB LYS 14 -0.527 -5.707 8.510 110 HG2 LYS 14 2HG LYS 14 -2.625 -6.945 8.181 111 HG3 LYS 14 3HG LYS 14 -1.334 -7.951 8.844 112 HD2 LYS 14 2HD LYS 14 -2.358 -8.160 10.880 113 HD3 LYS 14 3HD LYS 14 -3.178 -6.602 10.749 114 HE2 LYS 14 2HE LYS 14 -4.811 -8.362 10.602 115 HE3 LYS 14 3HE LYS 14 -4.664 -7.584 9.027 116 HZ1 LYS 14 3HZ LYS 14 -2.877 -9.797 9.318 117 HZ2 LYS 14 1HZ LYS 14 -4.007 -9.477 8.100 118 HZ3 LYS 14 2HZ LYS 14 -4.492 -10.259 9.519 119 H MET 15 H MET 15 -0.219 -7.634 12.547 120 HA MET 15 HA MET 15 1.802 -9.332 11.325 121 HB2 MET 15 2HB MET 15 0.699 -8.961 14.058 122 HB3 MET 15 3HB MET 15 1.315 -10.559 13.656 123 HG2 MET 15 2HG MET 15 3.462 -9.541 13.015 124 HG3 MET 15 3HG MET 15 2.837 -7.969 13.506 125 HE1 MET 15 3HE MET 15 4.438 -11.154 14.305 126 HE2 MET 15 1HE MET 15 4.572 -11.257 16.061 127 HE3 MET 15 2HE MET 15 3.068 -11.718 15.264 128 H LYS 16 H LYS 16 1.452 -11.308 10.492 129 HA LYS 16 HA LYS 16 -1.050 -12.131 9.643 130 HB2 LYS 16 2HB LYS 16 1.165 -12.931 8.774 131 HB3 LYS 16 3HB LYS 16 1.291 -13.960 10.195 132 HG2 LYS 16 2HG LYS 16 -0.694 -15.177 9.526 133 HG3 LYS 16 3HG LYS 16 -0.904 -14.108 8.138 134 HD2 LYS 16 2HD LYS 16 1.489 -14.856 7.501 135 HD3 LYS 16 3HD LYS 16 1.199 -16.188 8.623 136 HE2 LYS 16 2HE LYS 16 -0.630 -15.490 6.331 137 HE3 LYS 16 3HE LYS 16 0.662 -16.685 6.225 138 HZ1 LYS 16 3HZ LYS 16 -0.417 -17.874 8.087 139 HZ2 LYS 16 1HZ LYS 16 -1.382 -17.796 6.699 140 HZ3 LYS 16 2HZ LYS 16 -1.706 -16.780 8.012 141 H GLY 17 H GLY 17 -2.745 -12.596 10.888 142 HA2 GLY 17 2HA GLY 17 -3.881 -14.222 12.226 143 HA3 GLY 17 3HA GLY 17 -2.365 -14.550 13.052 144 H TYR 18 H TYR 18 -2.783 -11.251 12.630 145 HA TYR 18 HA TYR 18 -4.297 -10.872 15.093 146 HB2 TYR 18 2HB TYR 18 -1.591 -9.577 14.803 147 HB3 TYR 18 3HB TYR 18 -2.611 -9.660 16.235 148 HD1 TYR 18 HD1 TYR 18 -0.354 -11.580 14.043 149 HD2 TYR 18 HD2 TYR 18 -2.568 -11.569 17.676 150 HE1 TYR 18 HE1 TYR 18 0.852 -13.594 14.776 151 HE2 TYR 18 HE2 TYR 18 -1.367 -13.583 18.420 152 HH TYR 18 HH TYR 18 0.955 -15.222 16.311 153 HA PRO 19 HA PRO 19 -5.823 -7.316 13.020 154 HB2 PRO 19 2HB PRO 19 -6.411 -5.707 15.127 155 HB3 PRO 19 3HB PRO 19 -7.361 -7.141 14.718 156 HG2 PRO 19 2HG PRO 19 -5.228 -6.810 16.792 157 HG3 PRO 19 3HG PRO 19 -6.786 -7.648 16.913 158 HD2 PRO 19 2HD PRO 19 -4.453 -8.962 16.514 159 HD3 PRO 19 3HD PRO 19 -5.997 -9.535 15.851 160 H HIS 20 H HIS 20 -5.580 -4.865 12.971 161 HA HIS 20 HA HIS 20 -2.843 -4.221 12.627 162 HB2 HIS 20 2HB HIS 20 -5.105 -2.231 12.795 163 HB3 HIS 20 3HB HIS 20 -3.590 -2.073 11.911 164 HD1 HIS 20 HD1 HIS 20 -3.589 -4.721 10.366 165 HD2 HIS 20 HD2 HIS 20 -6.919 -2.271 10.771 166 HE1 HIS 20 HE1 HIS 20 -5.083 -5.292 8.426 167 H TRP 21 H TRP 21 -1.534 -2.757 13.752 168 HA TRP 21 HA TRP 21 -2.467 -1.725 16.307 169 HB2 TRP 21 2HB TRP 21 -1.681 -3.934 16.932 170 HB3 TRP 21 3HB TRP 21 -0.163 -3.671 16.078 171 HD1 TRP 21 HD1 TRP 21 1.517 -1.786 17.183 172 HE1 TRP 21 HE1 TRP 21 1.856 -1.141 19.652 173 HE3 TRP 21 HE3 TRP 21 -2.802 -3.711 19.126 174 HZ2 TRP 21 HZ2 TRP 21 0.476 -1.414 22.099 175 HZ3 TRP 21 HZ3 TRP 21 -3.216 -3.478 21.540 176 HH2 TRP 21 HH2 TRP 21 -1.609 -2.353 22.994 177 HA PRO 22 HA PRO 22 0.127 1.616 15.063 178 HB2 PRO 22 2HB PRO 22 0.283 2.908 17.445 179 HB3 PRO 22 3HB PRO 22 -1.168 2.926 16.436 180 HG2 PRO 22 2HG PRO 22 -0.551 1.248 18.837 181 HG3 PRO 22 3HG PRO 22 -2.058 2.080 18.411 182 HD2 PRO 22 2HD PRO 22 -1.695 -0.574 18.010 183 HD3 PRO 22 3HD PRO 22 -2.704 0.424 16.944 184 H ALA 23 H ALA 23 2.210 1.231 14.628 185 HA ALA 23 HA ALA 23 4.043 0.811 16.887 186 HB1 ALA 23 1HB ALA 23 4.751 -1.166 16.162 187 HB2 ALA 23 2HB ALA 23 3.400 -1.160 15.027 188 HB3 ALA 23 3HB ALA 23 4.978 -0.553 14.524 189 H ARG 24 H ARG 24 6.426 0.797 15.667 190 HA ARG 24 HA ARG 24 6.507 3.162 13.930 191 HB2 ARG 24 2HB ARG 24 6.958 4.104 16.057 192 HB3 ARG 24 3HB ARG 24 7.995 2.760 16.517 193 HG2 ARG 24 2HG ARG 24 8.864 4.254 14.141 194 HG3 ARG 24 3HG ARG 24 8.893 5.153 15.659 195 HD2 ARG 24 2HD ARG 24 10.059 2.402 15.510 196 HD3 ARG 24 3HD ARG 24 10.981 3.788 14.929 197 HE ARG 24 HE ARG 24 10.409 3.107 17.663 198 HH11 ARG 24 1HH1 ARG 24 11.224 5.677 15.460 199 HH12 ARG 24 2HH1 ARG 24 11.929 6.679 16.684 200 HH21 ARG 24 1HH2 ARG 24 11.334 4.418 19.284 201 HH22 ARG 24 2HH2 ARG 24 11.992 5.962 18.859 202 H VAL 25 H VAL 25 8.078 3.142 12.385 203 HA VAL 25 HA VAL 25 9.366 0.622 11.868 204 HB VAL 25 HB VAL 25 9.678 3.221 10.361 205 HG11 VAL 25 1HG1 VAL 25 11.263 2.050 9.306 206 HG12 VAL 25 2HG1 VAL 25 10.739 0.525 10.023 207 HG13 VAL 25 3HG1 VAL 25 9.931 1.147 8.584 208 HG21 VAL 25 3HG2 VAL 25 7.444 2.912 10.065 209 HG22 VAL 25 1HG2 VAL 25 8.029 1.819 8.810 210 HG23 VAL 25 2HG2 VAL 25 7.529 1.178 10.375 211 H ASP 26 H ASP 26 11.448 0.077 12.164 212 HA ASP 26 HA ASP 26 13.187 2.066 13.447 213 HB2 ASP 26 2HB ASP 26 12.592 -0.236 14.509 214 HB3 ASP 26 3HB ASP 26 13.767 -0.879 13.365 215 H GLU 27 H GLU 27 15.553 1.834 12.969 216 HA GLU 27 HA GLU 27 15.919 1.864 10.100 217 HB2 GLU 27 2HB GLU 27 17.777 2.474 12.401 218 HB3 GLU 27 3HB GLU 27 18.263 2.564 10.713 219 HG2 GLU 27 2HG GLU 27 16.861 4.377 10.282 220 HG3 GLU 27 3HG GLU 27 15.910 4.104 11.740 221 H VAL 28 H VAL 28 17.946 0.839 9.192 222 HA VAL 28 HA VAL 28 17.801 -1.947 9.461 223 HB VAL 28 HB VAL 28 19.988 -1.944 8.176 224 HG11 VAL 28 1HG1 VAL 28 18.100 -2.192 6.856 225 HG12 VAL 28 2HG1 VAL 28 17.493 -0.581 7.244 226 HG13 VAL 28 3HG1 VAL 28 18.870 -0.768 6.158 227 HG21 VAL 28 3HG2 VAL 28 19.693 0.894 7.521 228 HG22 VAL 28 1HG2 VAL 28 20.259 0.585 9.162 229 HG23 VAL 28 2HG2 VAL 28 21.149 -0.064 7.785 230 HA PRO 29 HA PRO 29 20.412 -2.957 12.843 231 HB2 PRO 29 2HB PRO 29 21.515 -5.285 11.987 232 HB3 PRO 29 3HB PRO 29 19.825 -5.150 12.489 233 HG2 PRO 29 2HG PRO 29 20.988 -5.152 9.730 234 HG3 PRO 29 3HG PRO 29 19.543 -5.983 10.336 235 HD2 PRO 29 2HD PRO 29 19.412 -3.671 8.933 236 HD3 PRO 29 3HD PRO 29 18.241 -4.087 10.201 237 H ASP 30 H ASP 30 22.731 -3.717 13.333 238 HA ASP 30 HA ASP 30 24.537 -1.826 12.319 239 HB2 ASP 30 2HB ASP 30 24.959 -4.370 13.888 240 HB3 ASP 30 3HB ASP 30 26.277 -3.278 13.473 241 H GLY 31 H GLY 31 23.547 -4.862 11.090 242 HA2 GLY 31 2HA GLY 31 24.158 -5.132 8.683 243 HA3 GLY 31 3HA GLY 31 25.814 -4.840 9.193 244 H ALA 32 H ALA 32 25.302 -6.444 11.684 245 HA ALA 32 HA ALA 32 25.341 -9.121 10.447 246 HB1 ALA 32 1HB ALA 32 27.011 -9.780 12.134 247 HB2 ALA 32 2HB ALA 32 27.594 -8.497 11.072 248 HB3 ALA 32 3HB ALA 32 27.062 -8.114 12.709 249 H VAL 33 H VAL 33 23.196 -7.523 11.826 250 HA VAL 33 HA VAL 33 22.719 -9.152 14.211 251 HB VAL 33 HB VAL 33 20.923 -6.945 13.246 252 HG11 VAL 33 1HG1 VAL 33 19.799 -7.632 15.046 253 HG12 VAL 33 2HG1 VAL 33 21.145 -8.629 15.602 254 HG13 VAL 33 3HG1 VAL 33 21.093 -6.911 16.002 255 HG21 VAL 33 3HG2 VAL 33 23.510 -6.697 14.761 256 HG22 VAL 33 1HG2 VAL 33 23.024 -5.866 13.284 257 HG23 VAL 33 2HG2 VAL 33 22.250 -5.464 14.817 258 H LYS 34 H LYS 34 22.515 -10.192 11.443 259 HA LYS 34 HA LYS 34 21.143 -11.472 10.149 260 HB2 LYS 34 2HB LYS 34 19.626 -11.885 12.730 261 HB3 LYS 34 3HB LYS 34 19.648 -12.956 11.335 262 HG2 LYS 34 2HG LYS 34 22.012 -12.324 13.091 263 HG3 LYS 34 3HG LYS 34 21.038 -13.795 13.160 264 HD2 LYS 34 2HD LYS 34 21.647 -13.960 10.620 265 HD3 LYS 34 3HD LYS 34 22.980 -12.896 11.076 266 HE2 LYS 34 2HE LYS 34 23.741 -15.166 11.201 267 HE3 LYS 34 3HE LYS 34 23.603 -14.532 12.840 268 HZ1 LYS 34 3HZ LYS 34 21.160 -15.708 12.121 269 HZ2 LYS 34 1HZ LYS 34 22.238 -16.183 13.335 270 HZ3 LYS 34 2HZ LYS 34 22.396 -16.809 11.772 271 HA PRO 35 HA PRO 35 17.993 -8.080 9.783 272 HB2 PRO 35 2HB PRO 35 18.533 -7.543 7.177 273 HB3 PRO 35 3HB PRO 35 19.415 -6.796 8.515 274 HG2 PRO 35 2HG PRO 35 20.193 -9.120 6.797 275 HG3 PRO 35 3HG PRO 35 21.183 -7.757 7.351 276 HD2 PRO 35 2HD PRO 35 21.272 -10.194 8.527 277 HD3 PRO 35 3HD PRO 35 21.525 -8.688 9.431 278 HA PRO 36 HA PRO 36 14.890 -10.484 7.800 279 HB2 PRO 36 2HB PRO 36 13.424 -8.609 6.494 280 HB3 PRO 36 3HB PRO 36 13.409 -8.786 8.252 281 HG2 PRO 36 2HG PRO 36 14.923 -6.837 6.557 282 HG3 PRO 36 3HG PRO 36 14.048 -6.558 8.074 283 HD2 PRO 36 2HD PRO 36 16.740 -6.830 7.974 284 HD3 PRO 36 3HD PRO 36 15.778 -7.364 9.367 285 H THR 37 H THR 37 13.791 -10.884 5.634 286 HA THR 37 HA THR 37 15.857 -10.896 3.562 287 HB THR 37 HB THR 37 13.248 -12.422 3.687 288 HG1 THR 37 HG1 THR 37 14.562 -14.163 4.272 289 HG21 THR 37 3HG2 THR 37 13.593 -12.924 1.545 290 HG22 THR 37 1HG2 THR 37 15.151 -13.630 1.972 291 HG23 THR 37 2HG2 THR 37 15.047 -11.927 1.526 292 H ASN 38 H ASN 38 12.334 -10.354 3.771 293 HA ASN 38 HA ASN 38 12.615 -8.257 1.738 294 HB2 ASN 38 2HB ASN 38 10.888 -10.692 1.617 295 HB3 ASN 38 3HB ASN 38 10.269 -9.190 0.938 296 HD21 ASN 38 1HD2 ASN 38 12.313 -11.856 0.486 297 HD22 ASN 38 2HD2 ASN 38 13.000 -11.377 -1.025 298 H LYS 39 H LYS 39 12.217 -8.315 4.683 299 HA LYS 39 HA LYS 39 9.770 -6.684 4.747 300 HB2 LYS 39 2HB LYS 39 10.643 -8.598 6.919 301 HB3 LYS 39 3HB LYS 39 9.222 -7.563 6.957 302 HG2 LYS 39 2HG LYS 39 8.030 -8.911 5.584 303 HG3 LYS 39 3HG LYS 39 9.452 -9.431 4.676 304 HD2 LYS 39 2HD LYS 39 9.943 -11.115 6.145 305 HD3 LYS 39 3HD LYS 39 9.221 -10.274 7.519 306 HE2 LYS 39 2HE LYS 39 6.981 -10.673 6.373 307 HE3 LYS 39 3HE LYS 39 7.843 -11.797 5.323 308 HZ1 LYS 39 3HZ LYS 39 8.373 -13.171 7.137 309 HZ2 LYS 39 1HZ LYS 39 6.739 -12.783 7.339 310 HZ3 LYS 39 2HZ LYS 39 7.913 -12.008 8.276 311 H LEU 40 H LEU 40 9.730 -5.428 6.944 312 HA LEU 40 HA LEU 40 12.441 -4.403 7.472 313 HB2 LEU 40 2HB LEU 40 11.117 -2.207 7.948 314 HB3 LEU 40 3HB LEU 40 11.566 -2.644 6.300 315 HG LEU 40 HG LEU 40 8.881 -3.463 7.288 316 HD11 LEU 40 1HD1 LEU 40 8.345 -1.374 7.859 317 HD12 LEU 40 2HD1 LEU 40 8.403 -1.023 6.132 318 HD13 LEU 40 3HD1 LEU 40 9.812 -0.706 7.144 319 HD21 LEU 40 3HD2 LEU 40 9.124 -4.183 5.144 320 HD22 LEU 40 1HD2 LEU 40 10.242 -2.888 4.715 321 HD23 LEU 40 2HD2 LEU 40 8.511 -2.561 4.819 322 HA PRO 41 HA PRO 41 11.706 -4.919 11.767 323 HB2 PRO 41 2HB PRO 41 12.958 -2.754 12.822 324 HB3 PRO 41 3HB PRO 41 13.831 -4.122 12.123 325 HG2 PRO 41 2HG PRO 41 13.181 -1.466 10.903 326 HG3 PRO 41 3HG PRO 41 14.694 -2.389 10.835 327 HD2 PRO 41 2HD PRO 41 12.910 -2.363 8.798 328 HD3 PRO 41 3HD PRO 41 13.919 -3.776 9.165 329 H ILE 42 H ILE 42 9.823 -4.671 12.778 330 HA ILE 42 HA ILE 42 8.593 -1.992 12.828 331 HB ILE 42 HB ILE 42 7.104 -4.606 13.038 332 HG12 ILE 42 2HG1 ILE 42 8.137 -4.454 10.828 333 HG13 ILE 42 3HG1 ILE 42 6.397 -4.214 10.708 334 HG21 ILE 42 1HG2 ILE 42 6.391 -1.915 13.541 335 HG22 ILE 42 2HG2 ILE 42 5.548 -2.427 12.080 336 HG23 ILE 42 3HG2 ILE 42 5.360 -3.345 13.574 337 HD11 ILE 42 3HD1 ILE 42 7.433 -1.661 11.030 338 HD12 ILE 42 1HD1 ILE 42 8.556 -2.471 9.938 339 HD13 ILE 42 2HD1 ILE 42 6.840 -2.389 9.538 340 H PHE 43 H PHE 43 9.034 -1.153 14.772 341 HA PHE 43 HA PHE 43 9.253 -2.784 17.131 342 HB2 PHE 43 2HB PHE 43 10.621 -0.710 16.693 343 HB3 PHE 43 3HB PHE 43 9.161 0.231 16.977 344 HD1 PHE 43 HD2 PHE 43 10.593 -2.731 18.727 345 HD2 PHE 43 HD1 PHE 43 9.391 1.344 18.975 346 HE1 PHE 43 HE2 PHE 43 11.061 -2.744 21.143 347 HE2 PHE 43 HE1 PHE 43 9.858 1.339 21.390 348 HZ PHE 43 HZ PHE 43 10.693 -0.707 22.478 349 H PHE 44 H PHE 44 7.453 -3.611 17.982 350 HA PHE 44 HA PHE 44 4.900 -2.338 17.756 351 HB2 PHE 44 2HB PHE 44 5.950 -4.860 18.919 352 HB3 PHE 44 3HB PHE 44 4.444 -4.246 19.592 353 HD1 PHE 44 HD1 PHE 44 2.436 -4.111 18.232 354 HD2 PHE 44 HD2 PHE 44 6.066 -5.687 16.666 355 HE1 PHE 44 HE1 PHE 44 1.194 -5.088 16.346 356 HE2 PHE 44 HE2 PHE 44 4.831 -6.666 14.777 357 HZ PHE 44 HZ PHE 44 2.391 -6.367 14.614 358 H PHE 45 H PHE 45 4.390 -0.597 18.900 359 HA PHE 45 HA PHE 45 5.664 0.006 21.408 360 HB2 PHE 45 2HB PHE 45 3.797 1.386 19.559 361 HB3 PHE 45 3HB PHE 45 3.730 1.868 21.251 362 HD1 PHE 45 HD1 PHE 45 6.433 1.820 22.160 363 HD2 PHE 45 HD2 PHE 45 4.918 2.985 18.357 364 HE1 PHE 45 HE1 PHE 45 8.394 3.269 21.827 365 HE2 PHE 45 HE2 PHE 45 6.877 4.434 18.017 366 HZ PHE 45 HZ PHE 45 8.619 4.577 19.752 367 H GLY 46 H GLY 46 4.742 0.053 23.443 368 HA2 GLY 46 2HA GLY 46 3.010 -0.200 25.021 369 HA3 GLY 46 3HA GLY 46 1.983 -0.855 23.754 370 H THR 47 H THR 47 3.846 -2.799 22.789 371 HA THR 47 HA THR 47 3.761 -4.691 25.045 372 HB THR 47 HB THR 47 3.599 -6.491 23.407 373 HG1 THR 47 HG1 THR 47 3.103 -5.572 21.144 374 HG21 THR 47 3HG2 THR 47 1.390 -6.227 23.484 375 HG22 THR 47 1HG2 THR 47 1.470 -5.011 22.209 376 HG23 THR 47 2HG2 THR 47 1.619 -4.529 23.899 377 H HIS 48 H HIS 48 5.865 -2.864 23.276 378 HA HIS 48 HA HIS 48 8.108 -2.904 22.876 379 HB2 HIS 48 2HB HIS 48 7.876 -4.607 25.350 380 HB3 HIS 48 3HB HIS 48 9.439 -4.233 24.629 381 HD1 HIS 48 HD1 HIS 48 8.086 -1.233 23.920 382 HD2 HIS 48 HD2 HIS 48 8.830 -3.050 27.582 383 HE1 HIS 48 HE1 HIS 48 8.227 0.645 25.586 384 H GLU 49 H GLU 49 6.516 -4.780 21.393 385 HA GLU 49 HA GLU 49 8.277 -7.110 21.150 386 HB2 GLU 49 2HB GLU 49 5.608 -6.593 19.829 387 HB3 GLU 49 3HB GLU 49 6.513 -8.100 19.794 388 HG2 GLU 49 2HG GLU 49 6.197 -8.402 22.159 389 HG3 GLU 49 3HG GLU 49 5.419 -6.826 22.290 390 H THR 50 H THR 50 8.398 -7.888 18.734 391 HA THR 50 HA THR 50 8.695 -5.726 16.828 392 HB THR 50 HB THR 50 10.840 -5.466 17.753 393 HG1 THR 50 HG1 THR 50 11.629 -5.608 15.802 394 HG21 THR 50 3HG2 THR 50 12.176 -7.884 17.718 395 HG22 THR 50 1HG2 THR 50 10.581 -8.306 18.339 396 HG23 THR 50 2HG2 THR 50 11.543 -7.070 19.149 397 H ALA 51 H ALA 51 8.044 -6.444 14.914 398 HA ALA 51 HA ALA 51 8.500 -9.264 14.218 399 HB1 ALA 51 1HB ALA 51 6.059 -8.442 14.974 400 HB2 ALA 51 2HB ALA 51 5.980 -8.073 13.251 401 HB3 ALA 51 3HB ALA 51 6.330 -9.717 13.785 402 H PHE 52 H PHE 52 8.939 -9.679 12.078 403 HA PHE 52 HA PHE 52 9.667 -7.354 10.484 404 HB2 PHE 52 2HB PHE 52 10.290 -10.290 10.318 405 HB3 PHE 52 3HB PHE 52 10.601 -9.226 8.951 406 HD1 PHE 52 HD2 PHE 52 11.695 -6.849 9.978 407 HD2 PHE 52 HD1 PHE 52 12.219 -10.817 11.425 408 HE1 PHE 52 HE2 PHE 52 13.848 -6.197 10.976 409 HE2 PHE 52 HE1 PHE 52 14.372 -10.172 12.426 410 HZ PHE 52 HZ PHE 52 15.190 -7.860 12.201 411 H LEU 53 H LEU 53 8.184 -6.512 9.185 412 HA LEU 53 HA LEU 53 6.561 -8.323 7.544 413 HB2 LEU 53 2HB LEU 53 5.405 -5.832 8.756 414 HB3 LEU 53 3HB LEU 53 4.560 -7.148 7.944 415 HG LEU 53 HG LEU 53 5.976 -7.541 10.567 416 HD11 LEU 53 1HD1 LEU 53 3.987 -7.068 11.747 417 HD12 LEU 53 2HD1 LEU 53 3.050 -6.923 10.261 418 HD13 LEU 53 3HD1 LEU 53 4.251 -5.699 10.668 419 HD21 LEU 53 3HD2 LEU 53 5.449 -9.649 10.049 420 HD22 LEU 53 1HD2 LEU 53 4.354 -9.154 8.758 421 HD23 LEU 53 2HD2 LEU 53 3.788 -9.191 10.428 422 H GLY 54 H GLY 54 6.374 -7.724 5.453 423 HA2 GLY 54 2HA GLY 54 8.057 -5.709 4.416 424 HA3 GLY 54 3HA GLY 54 6.830 -6.584 3.513 425 HA PRO 55 HA PRO 55 5.657 -2.057 4.051 426 HB2 PRO 55 2HB PRO 55 5.646 -1.427 1.410 427 HB3 PRO 55 3HB PRO 55 7.085 -1.284 2.426 428 HG2 PRO 55 2HG PRO 55 6.317 -3.467 0.527 429 HG3 PRO 55 3HG PRO 55 7.897 -2.700 0.770 430 HD2 PRO 55 2HD PRO 55 7.267 -5.107 1.837 431 HD3 PRO 55 3HD PRO 55 8.365 -3.965 2.638 432 H LYS 56 H LYS 56 4.688 -4.519 1.703 433 HA LYS 56 HA LYS 56 2.113 -3.421 1.191 434 HB2 LYS 56 2HB LYS 56 3.499 -5.992 0.598 435 HB3 LYS 56 3HB LYS 56 1.745 -5.956 0.475 436 HG2 LYS 56 2HG LYS 56 2.272 -5.399 -1.658 437 HG3 LYS 56 3HG LYS 56 2.256 -3.783 -0.947 438 HD2 LYS 56 2HD LYS 56 4.240 -3.895 -2.215 439 HD3 LYS 56 3HD LYS 56 4.743 -4.102 -0.536 440 HE2 LYS 56 2HE LYS 56 5.904 -5.695 -1.927 441 HE3 LYS 56 3HE LYS 56 4.769 -6.546 -0.881 442 HZ1 LYS 56 3HZ LYS 56 3.410 -7.073 -2.626 443 HZ2 LYS 56 1HZ LYS 56 4.913 -7.108 -3.403 444 HZ3 LYS 56 2HZ LYS 56 3.903 -5.761 -3.574 445 H ASP 57 H ASP 57 3.398 -4.977 3.870 446 HA ASP 57 HA ASP 57 0.830 -6.100 4.714 447 HB2 ASP 57 2HB ASP 57 3.665 -6.505 5.507 448 HB3 ASP 57 3HB ASP 57 2.449 -6.692 6.769 449 H ILE 58 H ILE 58 3.041 -3.495 5.382 450 HA ILE 58 HA ILE 58 1.522 -2.691 7.748 451 HB ILE 58 HB ILE 58 3.266 -0.928 7.987 452 HG12 ILE 58 2HG1 ILE 58 4.608 -2.395 5.706 453 HG13 ILE 58 3HG1 ILE 58 3.869 -0.803 5.581 454 HG21 ILE 58 1HG2 ILE 58 4.147 -2.447 9.342 455 HG22 ILE 58 2HG2 ILE 58 3.527 -3.755 8.335 456 HG23 ILE 58 3HG2 ILE 58 5.108 -3.052 7.992 457 HD11 ILE 58 3HD1 ILE 58 6.206 -0.495 5.791 458 HD12 ILE 58 1HD1 ILE 58 5.480 -0.022 7.327 459 HD13 ILE 58 2HD1 ILE 58 6.290 -1.582 7.177 460 H PHE 59 H PHE 59 0.217 -0.943 7.823 461 HA PHE 59 HA PHE 59 -0.053 0.640 5.352 462 HB2 PHE 59 2HB PHE 59 -2.064 -0.664 7.084 463 HB3 PHE 59 3HB PHE 59 -2.465 0.964 6.546 464 HD1 PHE 59 HD2 PHE 59 -1.266 -2.304 5.223 465 HD2 PHE 59 HD1 PHE 59 -3.488 1.255 4.503 466 HE1 PHE 59 HE2 PHE 59 -2.004 -3.207 3.057 467 HE2 PHE 59 HE1 PHE 59 -4.231 0.356 2.336 468 HZ PHE 59 HZ PHE 59 -3.488 -1.877 1.610 469 HA PRO 60 HA PRO 60 0.599 4.347 7.603 470 HB2 PRO 60 2HB PRO 60 -1.199 6.044 6.482 471 HB3 PRO 60 3HB PRO 60 0.254 5.491 5.641 472 HG2 PRO 60 2HG PRO 60 -2.563 4.503 5.407 473 HG3 PRO 60 3HG PRO 60 -1.375 4.812 4.127 474 HD2 PRO 60 2HD PRO 60 -1.898 2.324 5.060 475 HD3 PRO 60 3HD PRO 60 -0.294 2.806 4.473 476 H TYR 61 H TYR 61 0.061 4.859 9.623 477 HA TYR 61 HA TYR 61 -2.355 4.052 10.834 478 HB2 TYR 61 2HB TYR 61 -1.411 4.741 12.796 479 HB3 TYR 61 3HB TYR 61 0.048 4.701 11.812 480 HD1 TYR 61 HD2 TYR 61 0.622 6.950 10.576 481 HD2 TYR 61 HD1 TYR 61 -1.907 6.663 13.986 482 HE1 TYR 61 HE2 TYR 61 1.021 9.327 11.065 483 HE2 TYR 61 HE1 TYR 61 -1.515 9.040 14.484 484 HH TYR 61 HH TYR 61 0.808 10.942 12.649 485 H SER 62 H SER 62 -1.609 6.736 8.912 486 HA SER 62 HA SER 62 -3.280 8.707 10.035 487 HB2 SER 62 2HB SER 62 -1.480 8.901 8.162 488 HB3 SER 62 3HB SER 62 -2.807 8.496 7.074 489 HG SER 62 HG SER 62 -3.924 10.298 8.284 490 H GLU 63 H GLU 63 -3.986 5.827 8.343 491 HA GLU 63 HA GLU 63 -6.632 6.726 7.514 492 HB2 GLU 63 2HB GLU 63 -4.971 5.094 6.250 493 HB3 GLU 63 3HB GLU 63 -5.753 3.886 7.260 494 HG2 GLU 63 2HG GLU 63 -7.943 5.009 6.356 495 HG3 GLU 63 3HG GLU 63 -6.876 5.529 5.053 496 H ASN 64 H ASN 64 -5.110 4.555 9.832 497 HA ASN 64 HA ASN 64 -7.602 3.520 10.818 498 HB2 ASN 64 2HB ASN 64 -4.793 3.358 11.931 499 HB3 ASN 64 3HB ASN 64 -6.180 2.494 12.588 500 HD21 ASN 64 1HD2 ASN 64 -3.884 2.697 10.013 501 HD22 ASN 64 2HD2 ASN 64 -4.269 1.186 9.269 502 H LYS 65 H LYS 65 -5.271 5.964 11.845 503 HA LYS 65 HA LYS 65 -6.292 6.541 14.368 504 HB2 LYS 65 2HB LYS 65 -5.072 8.560 14.273 505 HB3 LYS 65 3HB LYS 65 -4.162 7.423 13.288 506 HG2 LYS 65 2HG LYS 65 -5.098 8.398 11.267 507 HG3 LYS 65 3HG LYS 65 -6.057 9.517 12.239 508 HD2 LYS 65 2HD LYS 65 -3.042 9.371 12.177 509 HD3 LYS 65 3HD LYS 65 -4.032 10.584 11.361 510 HE2 LYS 65 2HE LYS 65 -4.955 11.200 13.611 511 HE3 LYS 65 3HE LYS 65 -3.748 10.133 14.327 512 HZ1 LYS 65 3HZ LYS 65 -3.411 12.773 13.689 513 HZ2 LYS 65 1HZ LYS 65 -2.583 11.950 12.464 514 HZ3 LYS 65 2HZ LYS 65 -2.188 11.675 14.086 515 H GLU 66 H GLU 66 -7.504 7.349 11.216 516 HA GLU 66 HA GLU 66 -9.339 9.355 12.207 517 HB2 GLU 66 2HB GLU 66 -8.269 9.413 9.917 518 HB3 GLU 66 3HB GLU 66 -9.313 8.068 9.477 519 HG2 GLU 66 2HG GLU 66 -10.619 9.742 8.725 520 HG3 GLU 66 3HG GLU 66 -11.171 9.736 10.399 521 H LYS 67 H LYS 67 -9.289 5.964 11.804 522 HA LYS 67 HA LYS 67 -12.105 5.571 11.477 523 HB2 LYS 67 2HB LYS 67 -9.863 3.715 12.276 524 HB3 LYS 67 3HB LYS 67 -11.532 3.187 12.105 525 HG2 LYS 67 2HG LYS 67 -10.248 4.619 9.835 526 HG3 LYS 67 3HG LYS 67 -9.817 2.934 10.138 527 HD2 LYS 67 2HD LYS 67 -12.697 3.718 10.058 528 HD3 LYS 67 3HD LYS 67 -11.808 3.532 8.544 529 HE2 LYS 67 2HE LYS 67 -11.825 1.415 10.679 530 HE3 LYS 67 3HE LYS 67 -13.052 1.489 9.416 531 HZ1 LYS 67 3HZ LYS 67 -11.103 1.487 7.813 532 HZ2 LYS 67 1HZ LYS 67 -11.438 0.032 8.610 533 HZ3 LYS 67 2HZ LYS 67 -10.151 1.001 9.125 534 H TYR 68 H TYR 68 -9.927 4.840 14.210 535 HA TYR 68 HA TYR 68 -12.132 5.523 16.032 536 HB2 TYR 68 2HB TYR 68 -10.339 3.416 17.010 537 HB3 TYR 68 3HB TYR 68 -12.094 3.528 17.085 538 HD1 TYR 68 HD2 TYR 68 -13.477 2.632 15.284 539 HD2 TYR 68 HD1 TYR 68 -9.237 2.296 15.169 540 HE1 TYR 68 HE2 TYR 68 -13.665 0.936 13.513 541 HE2 TYR 68 HE1 TYR 68 -9.414 0.600 13.397 542 HH TYR 68 HH TYR 68 -12.117 -1.052 12.695 543 H GLY 69 H GLY 69 -8.760 5.561 15.281 544 HA2 GLY 69 2HA GLY 69 -7.102 6.945 16.103 545 HA3 GLY 69 3HA GLY 69 -8.286 7.642 17.199 546 H LYS 70 H LYS 70 -8.827 4.693 18.003 547 HA LYS 70 HA LYS 70 -6.412 4.068 19.488 548 HB2 LYS 70 2HB LYS 70 -7.755 3.960 21.647 549 HB3 LYS 70 3HB LYS 70 -7.334 5.565 21.064 550 HG2 LYS 70 2HG LYS 70 -9.553 5.904 20.219 551 HG3 LYS 70 3HG LYS 70 -9.995 4.238 20.599 552 HD2 LYS 70 2HD LYS 70 -9.381 4.848 23.021 553 HD3 LYS 70 3HD LYS 70 -9.470 6.523 22.473 554 HE2 LYS 70 2HE LYS 70 -11.590 5.879 23.422 555 HE3 LYS 70 3HE LYS 70 -11.774 6.100 21.683 556 HZ1 LYS 70 3HZ LYS 70 -12.419 3.856 23.184 557 HZ2 LYS 70 1HZ LYS 70 -11.093 3.421 22.227 558 HZ3 LYS 70 2HZ LYS 70 -12.494 4.030 21.503 559 HA PRO 71 HA PRO 71 -7.801 -0.065 18.987 560 HB2 PRO 71 2HB PRO 71 -6.773 -1.256 21.200 561 HB3 PRO 71 3HB PRO 71 -5.774 -0.731 19.839 562 HG2 PRO 71 2HG PRO 71 -6.278 0.633 22.456 563 HG3 PRO 71 3HG PRO 71 -4.755 0.445 21.567 564 HD2 PRO 71 2HD PRO 71 -6.199 2.735 21.514 565 HD3 PRO 71 3HD PRO 71 -5.232 2.184 20.132 566 H ASN 72 H ASN 72 -9.365 -1.548 19.639 567 HA ASN 72 HA ASN 72 -11.220 -0.545 21.669 568 HB2 ASN 72 2HB ASN 72 -12.283 -0.946 19.569 569 HB3 ASN 72 3HB ASN 72 -11.534 -2.533 19.419 570 HD21 ASN 72 1HD2 ASN 72 -13.711 -0.680 21.504 571 HD22 ASN 72 2HD2 ASN 72 -14.733 -2.012 21.914 572 H LYS 73 H LYS 73 -10.019 -3.732 20.601 573 HA LYS 73 HA LYS 73 -10.022 -4.567 23.427 574 HB2 LYS 73 2HB LYS 73 -10.405 -6.914 22.438 575 HB3 LYS 73 3HB LYS 73 -11.773 -5.811 22.502 576 HG2 LYS 73 2HG LYS 73 -11.889 -6.799 20.389 577 HG3 LYS 73 3HG LYS 73 -11.193 -5.202 20.102 578 HD2 LYS 73 2HD LYS 73 -9.136 -7.154 20.652 579 HD3 LYS 73 3HD LYS 73 -10.151 -7.663 19.301 580 HE2 LYS 73 2HE LYS 73 -8.927 -4.920 19.516 581 HE3 LYS 73 3HE LYS 73 -8.143 -6.269 18.693 582 HZ1 LYS 73 3HZ LYS 73 -10.895 -5.587 17.949 583 HZ2 LYS 73 1HZ LYS 73 -9.652 -6.238 17.003 584 HZ3 LYS 73 2HZ LYS 73 -9.644 -4.592 17.393 585 H ARG 74 H ARG 74 -7.922 -3.487 21.505 586 HA ARG 74 HA ARG 74 -6.105 -5.668 21.083 587 HB2 ARG 74 2HB ARG 74 -5.443 -2.725 21.034 588 HB3 ARG 74 3HB ARG 74 -4.591 -4.032 20.224 589 HG2 ARG 74 2HG ARG 74 -7.443 -3.606 19.530 590 HG3 ARG 74 3HG ARG 74 -6.261 -2.433 18.945 591 HD2 ARG 74 2HD ARG 74 -5.080 -4.068 17.736 592 HD3 ARG 74 3HD ARG 74 -5.878 -5.389 18.587 593 HE ARG 74 HE ARG 74 -7.546 -5.290 17.039 594 HH11 ARG 74 1HH1 ARG 74 -5.876 -2.236 17.060 595 HH12 ARG 74 2HH1 ARG 74 -6.773 -1.588 15.726 596 HH21 ARG 74 1HH2 ARG 74 -8.734 -4.449 15.283 597 HH22 ARG 74 2HH2 ARG 74 -8.399 -2.848 14.717 598 H LYS 75 H LYS 75 -4.796 -6.538 22.538 599 HA LYS 75 HA LYS 75 -4.643 -5.681 25.204 600 HB2 LYS 75 2HB LYS 75 -2.875 -7.545 23.616 601 HB3 LYS 75 3HB LYS 75 -2.718 -7.305 25.351 602 HG2 LYS 75 2HG LYS 75 -5.383 -8.054 24.276 603 HG3 LYS 75 3HG LYS 75 -4.126 -9.291 24.349 604 HD2 LYS 75 2HD LYS 75 -4.665 -7.582 26.741 605 HD3 LYS 75 3HD LYS 75 -5.737 -8.936 26.374 606 HE2 LYS 75 2HE LYS 75 -3.462 -10.240 26.149 607 HE3 LYS 75 3HE LYS 75 -2.867 -8.939 27.180 608 HZ1 LYS 75 3HZ LYS 75 -4.444 -9.502 28.848 609 HZ2 LYS 75 1HZ LYS 75 -3.670 -10.936 28.393 610 HZ3 LYS 75 2HZ LYS 75 -5.233 -10.605 27.837 611 H GLY 76 H GLY 76 -3.426 -4.204 26.200 612 HA2 GLY 76 2HA GLY 76 -1.363 -3.086 26.621 613 HA3 GLY 76 3HA GLY 76 -0.918 -3.339 24.940 614 H PHE 77 H PHE 77 -4.124 -2.308 25.345 615 HA PHE 77 HA PHE 77 -3.733 0.078 23.914 616 HB2 PHE 77 2HB PHE 77 -6.074 0.566 24.432 617 HB3 PHE 77 3HB PHE 77 -5.881 -1.123 23.974 618 HD1 PHE 77 HD1 PHE 77 -6.123 -2.894 25.620 619 HD2 PHE 77 HD2 PHE 77 -6.692 1.192 26.667 620 HE1 PHE 77 HE1 PHE 77 -7.230 -3.586 27.706 621 HE2 PHE 77 HE2 PHE 77 -7.799 0.506 28.755 622 HZ PHE 77 HZ PHE 77 -8.068 -1.885 29.277 623 H ASN 78 H ASN 78 -4.089 2.273 24.611 624 HA ASN 78 HA ASN 78 -3.595 4.079 25.902 625 HB2 ASN 78 2HB ASN 78 -5.009 2.213 27.705 626 HB3 ASN 78 3HB ASN 78 -4.078 3.476 28.506 627 HD21 ASN 78 1HD2 ASN 78 -4.367 5.659 27.126 628 HD22 ASN 78 2HD2 ASN 78 -6.024 6.105 26.927 629 H GLU 79 H GLU 79 -1.567 1.934 25.445 630 HA GLU 79 HA GLU 79 0.254 2.675 27.639 631 HB2 GLU 79 2HB GLU 79 0.377 0.062 26.137 632 HB3 GLU 79 3HB GLU 79 1.269 0.514 27.583 633 HG2 GLU 79 2HG GLU 79 -1.475 0.773 28.183 634 HG3 GLU 79 3HG GLU 79 -1.257 -0.773 27.365 635 H GLY 80 H GLY 80 0.256 4.374 25.643 636 HA2 GLY 80 2HA GLY 80 2.332 5.235 24.646 637 HA3 GLY 80 3HA GLY 80 2.608 3.615 24.023 638 H LEU 81 H LEU 81 -0.641 4.627 23.909 639 HA LEU 81 HA LEU 81 -0.639 4.585 21.046 640 HB2 LEU 81 2HB LEU 81 -2.538 3.679 22.120 641 HB3 LEU 81 3HB LEU 81 -2.751 5.118 23.116 642 HG LEU 81 HG LEU 81 -3.157 6.267 20.779 643 HD11 LEU 81 1HD1 LEU 81 -3.628 3.350 20.262 644 HD12 LEU 81 2HD1 LEU 81 -2.741 4.520 19.285 645 HD13 LEU 81 3HD1 LEU 81 -4.500 4.603 19.378 646 HD21 LEU 81 3HD2 LEU 81 -5.408 6.239 21.263 647 HD22 LEU 81 1HD2 LEU 81 -4.713 5.781 22.818 648 HD23 LEU 81 2HD2 LEU 81 -5.391 4.545 21.758 649 H TRP 82 H TRP 82 -1.115 7.083 23.515 650 HA TRP 82 HA TRP 82 -1.512 9.173 21.593 651 HB2 TRP 82 2HB TRP 82 -2.545 9.447 23.734 652 HB3 TRP 82 3HB TRP 82 -1.016 9.195 24.572 653 HD1 TRP 82 HD1 TRP 82 -2.986 11.854 22.668 654 HE1 TRP 82 HE1 TRP 82 -1.882 14.144 23.063 655 HE3 TRP 82 HE3 TRP 82 1.237 10.309 25.100 656 HZ2 TRP 82 HZ2 TRP 82 0.469 15.162 24.249 657 HZ3 TRP 82 HZ3 TRP 82 2.863 12.004 25.831 658 HH2 TRP 82 HH2 TRP 82 2.486 14.379 25.413 659 H GLU 83 H GLU 83 1.202 7.555 22.792 660 HA GLU 83 HA GLU 83 3.040 9.772 22.547 661 HB2 GLU 83 2HB GLU 83 3.305 6.859 23.203 662 HB3 GLU 83 3HB GLU 83 4.732 7.789 22.764 663 HG2 GLU 83 2HG GLU 83 4.453 9.250 24.613 664 HG3 GLU 83 3HG GLU 83 2.856 8.594 24.969 665 H ILE 84 H ILE 84 1.707 7.357 20.508 666 HA ILE 84 HA ILE 84 3.767 7.083 18.613 667 HB ILE 84 HB ILE 84 1.631 5.692 18.830 668 HG12 ILE 84 2HG1 ILE 84 2.539 6.643 16.105 669 HG13 ILE 84 3HG1 ILE 84 3.268 5.348 17.048 670 HG21 ILE 84 1HG2 ILE 84 0.413 7.502 16.816 671 HG22 ILE 84 2HG2 ILE 84 -0.354 6.408 17.966 672 HG23 ILE 84 3HG2 ILE 84 0.293 7.953 18.517 673 HD11 ILE 84 3HD1 ILE 84 1.899 3.897 16.109 674 HD12 ILE 84 1HD1 ILE 84 0.510 4.772 16.752 675 HD13 ILE 84 2HD1 ILE 84 1.165 5.196 15.170 676 H ASP 85 H ASP 85 1.495 9.619 19.206 677 HA ASP 85 HA ASP 85 2.349 10.964 16.727 678 HB2 ASP 85 2HB ASP 85 -0.165 10.396 17.177 679 HB3 ASP 85 3HB ASP 85 -0.096 11.788 18.254 680 H ASN 86 H ASN 86 3.147 10.856 19.816 681 HA ASN 86 HA ASN 86 3.722 13.737 19.938 682 HB2 ASN 86 2HB ASN 86 2.618 11.972 22.114 683 HB3 ASN 86 3HB ASN 86 3.502 13.448 22.491 684 HD21 ASN 86 1HD2 ASN 86 0.692 12.156 20.831 685 HD22 ASN 86 2HD2 ASN 86 -0.242 13.609 20.891 686 H ASN 87 H ASN 87 4.490 10.802 21.818 687 HA ASN 87 HA ASN 87 7.334 11.537 21.611 688 HB2 ASN 87 2HB ASN 87 6.119 11.425 23.911 689 HB3 ASN 87 3HB ASN 87 6.250 9.681 23.708 690 HD21 ASN 87 1HD2 ASN 87 8.534 8.989 23.001 691 HD22 ASN 87 2HD2 ASN 87 9.830 9.694 23.900 692 HA PRO 88 HA PRO 88 6.784 7.613 19.198 693 HB2 PRO 88 2HB PRO 88 8.383 8.384 17.143 694 HB3 PRO 88 3HB PRO 88 6.660 8.772 17.218 695 HG2 PRO 88 2HG PRO 88 9.018 10.478 17.917 696 HG3 PRO 88 3HG PRO 88 7.550 10.911 17.022 697 HD2 PRO 88 2HD PRO 88 7.901 11.533 19.634 698 HD3 PRO 88 3HD PRO 88 6.305 11.174 18.944 699 H LYS 89 H LYS 89 9.292 9.302 20.718 700 HA LYS 89 HA LYS 89 11.173 7.077 20.282 701 HB2 LYS 89 2HB LYS 89 11.820 9.878 21.215 702 HB3 LYS 89 3HB LYS 89 12.973 8.609 20.824 703 HG2 LYS 89 2HG LYS 89 11.838 8.675 18.483 704 HG3 LYS 89 3HG LYS 89 11.300 10.274 19.002 705 HD2 LYS 89 2HD LYS 89 14.172 9.547 19.332 706 HD3 LYS 89 3HD LYS 89 13.578 9.954 17.720 707 HE2 LYS 89 2HE LYS 89 13.104 12.131 18.299 708 HE3 LYS 89 3HE LYS 89 12.911 11.746 20.009 709 HZ1 LYS 89 3HZ LYS 89 15.474 11.173 19.694 710 HZ2 LYS 89 1HZ LYS 89 14.928 12.719 20.114 711 HZ3 LYS 89 2HZ LYS 89 15.325 12.370 18.508 712 H VAL 90 H VAL 90 9.045 6.885 22.137 713 HA VAL 90 HA VAL 90 9.941 7.503 24.776 714 HB VAL 90 HB VAL 90 7.547 7.236 24.205 715 HG11 VAL 90 1HG1 VAL 90 6.855 5.474 23.047 716 HG12 VAL 90 2HG1 VAL 90 8.462 4.752 23.151 717 HG13 VAL 90 3HG1 VAL 90 7.266 4.431 24.408 718 HG21 VAL 90 3HG2 VAL 90 8.011 5.115 26.218 719 HG22 VAL 90 1HG2 VAL 90 8.749 6.687 26.525 720 HG23 VAL 90 2HG2 VAL 90 7.004 6.560 26.304 721 H LYS 91 H LYS 91 10.653 5.016 22.560 722 HA LYS 91 HA LYS 91 11.086 2.788 24.131 723 HB2 LYS 91 2HB LYS 91 12.837 2.167 22.469 724 HB3 LYS 91 3HB LYS 91 11.318 2.667 21.738 725 HG2 LYS 91 2HG LYS 91 12.200 4.726 21.046 726 HG3 LYS 91 3HG LYS 91 13.604 4.575 22.105 727 HD2 LYS 91 2HD LYS 91 14.270 2.561 20.736 728 HD3 LYS 91 3HD LYS 91 13.001 3.019 19.597 729 HE2 LYS 91 2HE LYS 91 14.911 3.999 18.700 730 HE3 LYS 91 3HE LYS 91 14.148 5.323 19.578 731 HZ1 LYS 91 3HZ LYS 91 16.166 5.563 20.480 732 HZ2 LYS 91 1HZ LYS 91 16.668 4.002 20.064 733 HZ3 LYS 91 2HZ LYS 91 15.739 4.249 21.455 734 H PHE 92 H PHE 92 12.953 5.724 23.912 735 HA PHE 92 HA PHE 92 14.802 4.642 25.934 736 HB2 PHE 92 2HB PHE 92 15.784 5.110 23.617 737 HB3 PHE 92 3HB PHE 92 15.534 6.815 23.979 738 HD1 PHE 92 HD1 PHE 92 16.810 3.921 25.960 739 HD2 PHE 92 HD2 PHE 92 17.523 7.841 24.464 740 HE1 PHE 92 HE1 PHE 92 18.965 3.978 27.146 741 HE2 PHE 92 HE2 PHE 92 19.679 7.904 25.648 742 HZ PHE 92 HZ PHE 92 20.403 5.971 26.990 743 H SER 93 H SER 93 15.111 5.819 27.748 744 HA SER 93 HA SER 93 13.487 8.242 28.035 745 HB2 SER 93 2HB SER 93 12.886 6.825 29.771 746 HB3 SER 93 3HB SER 93 14.519 6.182 29.948 747 HG SER 93 HG SER 93 14.263 7.525 31.650 Start of MODEL 14 1 H MET 1 H MET 1 0.990 -0.329 0.436 2 HA MET 1 HA MET 1 1.523 -0.805 -2.360 3 HB2 MET 1 2HB MET 1 1.148 1.468 -1.088 4 HB3 MET 1 3HB MET 1 2.877 1.350 -0.786 5 HG2 MET 1 2HG MET 1 2.740 2.631 -2.710 6 HG3 MET 1 3HG MET 1 3.101 1.015 -3.312 7 HE1 MET 1 3HE MET 1 1.846 3.180 -5.452 8 HE2 MET 1 1HE MET 1 0.167 3.592 -5.100 9 HE3 MET 1 2HE MET 1 1.436 4.002 -3.946 10 H THR 2 H THR 2 3.673 -0.851 -3.271 11 HA THR 2 HA THR 2 5.415 -2.601 -1.787 12 HB THR 2 HB THR 2 6.858 -2.402 -3.893 13 HG1 THR 2 HG1 THR 2 6.232 -0.982 -5.320 14 HG21 THR 2 3HG2 THR 2 4.541 -3.888 -3.331 15 HG22 THR 2 1HG2 THR 2 5.819 -4.285 -4.479 16 HG23 THR 2 2HG2 THR 2 4.400 -3.384 -5.015 17 H ARG 3 H ARG 3 5.257 0.777 -2.523 18 HA ARG 3 HA ARG 3 7.893 1.577 -2.351 19 HB2 ARG 3 2HB ARG 3 5.429 2.968 -1.286 20 HB3 ARG 3 3HB ARG 3 7.002 3.733 -1.470 21 HG2 ARG 3 2HG ARG 3 6.719 2.853 -3.955 22 HG3 ARG 3 3HG ARG 3 5.011 2.964 -3.522 23 HD2 ARG 3 2HD ARG 3 5.458 5.312 -2.759 24 HD3 ARG 3 3HD ARG 3 7.070 5.161 -3.457 25 HE ARG 3 HE ARG 3 5.146 4.484 -5.394 26 HH11 ARG 3 1HH1 ARG 3 6.371 7.241 -3.658 27 HH12 ARG 3 2HH1 ARG 3 5.983 8.369 -4.914 28 HH21 ARG 3 1HH2 ARG 3 4.630 5.959 -7.056 29 HH22 ARG 3 2HH2 ARG 3 4.992 7.639 -6.846 30 H ASP 4 H ASP 4 9.343 1.931 -0.743 31 HA ASP 4 HA ASP 4 8.874 0.610 1.770 32 HB2 ASP 4 2HB ASP 4 11.080 0.786 0.348 33 HB3 ASP 4 3HB ASP 4 11.300 2.285 1.247 34 H PHE 5 H PHE 5 9.609 1.737 3.832 35 HA PHE 5 HA PHE 5 8.427 4.434 3.900 36 HB2 PHE 5 2HB PHE 5 8.286 2.121 5.784 37 HB3 PHE 5 3HB PHE 5 8.211 3.749 6.449 38 HD1 PHE 5 HD2 PHE 5 6.364 5.256 5.822 39 HD2 PHE 5 HD1 PHE 5 6.464 1.185 4.585 40 HE1 PHE 5 HE2 PHE 5 3.965 5.364 5.287 41 HE2 PHE 5 HE1 PHE 5 4.065 1.286 4.047 42 HZ PHE 5 HZ PHE 5 2.812 3.377 4.399 43 H LYS 6 H LYS 6 9.207 5.629 5.997 44 HA LYS 6 HA LYS 6 12.147 5.501 5.984 45 HB2 LYS 6 2HB LYS 6 10.195 7.739 6.113 46 HB3 LYS 6 3HB LYS 6 11.683 7.921 7.033 47 HG2 LYS 6 2HG LYS 6 12.285 8.870 5.043 48 HG3 LYS 6 3HG LYS 6 12.809 7.204 4.783 49 HD2 LYS 6 2HD LYS 6 10.544 6.806 3.717 50 HD3 LYS 6 3HD LYS 6 10.326 8.557 3.748 51 HE2 LYS 6 2HE LYS 6 11.953 8.924 2.170 52 HE3 LYS 6 3HE LYS 6 12.827 7.447 2.573 53 HZ1 LYS 6 3HZ LYS 6 11.874 6.964 0.540 54 HZ2 LYS 6 1HZ LYS 6 10.430 7.773 0.890 55 HZ3 LYS 6 2HZ LYS 6 10.763 6.283 1.619 56 HA PRO 7 HA PRO 7 12.341 4.590 10.271 57 HB2 PRO 7 2HB PRO 7 14.425 6.119 11.102 58 HB3 PRO 7 3HB PRO 7 14.630 4.683 10.092 59 HG2 PRO 7 2HG PRO 7 14.582 7.568 9.295 60 HG3 PRO 7 3HG PRO 7 15.665 6.274 8.749 61 HD2 PRO 7 2HD PRO 7 13.551 7.121 7.283 62 HD3 PRO 7 3HD PRO 7 14.119 5.439 7.256 63 H GLY 8 H GLY 8 10.876 5.214 11.727 64 HA2 GLY 8 2HA GLY 8 10.291 6.672 13.539 65 HA3 GLY 8 3HA GLY 8 10.871 8.029 12.584 66 H ASP 9 H ASP 9 9.246 6.241 10.426 67 HA ASP 9 HA ASP 9 7.008 8.013 10.386 68 HB2 ASP 9 2HB ASP 9 8.064 5.839 8.690 69 HB3 ASP 9 3HB ASP 9 6.317 6.055 8.631 70 H LEU 10 H LEU 10 4.988 7.739 11.137 71 HA LEU 10 HA LEU 10 4.476 5.475 12.863 72 HB2 LEU 10 2HB LEU 10 2.495 7.629 12.228 73 HB3 LEU 10 3HB LEU 10 2.665 6.679 13.703 74 HG LEU 10 HG LEU 10 4.333 9.008 12.787 75 HD11 LEU 10 1HD1 LEU 10 2.911 8.536 15.396 76 HD12 LEU 10 2HD1 LEU 10 2.174 9.364 14.024 77 HD13 LEU 10 3HD1 LEU 10 3.609 10.040 14.795 78 HD21 LEU 10 3HD2 LEU 10 4.929 6.936 14.879 79 HD22 LEU 10 1HD2 LEU 10 5.613 8.560 14.937 80 HD23 LEU 10 2HD2 LEU 10 5.963 7.505 13.568 81 H ILE 11 H ILE 11 3.845 3.638 11.931 82 HA ILE 11 HA ILE 11 1.592 3.753 10.050 83 HB ILE 11 HB ILE 11 2.603 1.870 8.766 84 HG12 ILE 11 2HG1 ILE 11 5.241 1.920 9.054 85 HG13 ILE 11 3HG1 ILE 11 4.819 2.393 10.697 86 HG21 ILE 11 1HG2 ILE 11 4.537 4.126 8.603 87 HG22 ILE 11 2HG2 ILE 11 3.685 3.274 7.316 88 HG23 ILE 11 3HG2 ILE 11 2.829 4.451 8.313 89 HD11 ILE 11 3HD1 ILE 11 3.183 0.222 10.168 90 HD12 ILE 11 1HD1 ILE 11 4.733 -0.202 9.441 91 HD13 ILE 11 2HD1 ILE 11 4.649 0.233 11.149 92 H PHE 12 H PHE 12 0.124 2.088 10.204 93 HA PHE 12 HA PHE 12 0.133 0.633 12.685 94 HB2 PHE 12 2HB PHE 12 -1.801 1.116 10.484 95 HB3 PHE 12 3HB PHE 12 -2.021 -0.357 11.423 96 HD1 PHE 12 HD2 PHE 12 -1.055 3.145 12.281 97 HD2 PHE 12 HD1 PHE 12 -3.698 -0.120 12.961 98 HE1 PHE 12 HE2 PHE 12 -2.195 4.439 14.035 99 HE2 PHE 12 HE1 PHE 12 -4.844 1.168 14.716 100 HZ PHE 12 HZ PHE 12 -4.092 3.451 15.256 101 H ALA 13 H ALA 13 1.225 -1.194 12.930 102 HA ALA 13 HA ALA 13 2.009 -2.809 10.678 103 HB1 ALA 13 1HB ALA 13 2.447 -4.009 13.286 104 HB2 ALA 13 2HB ALA 13 3.609 -3.562 12.035 105 HB3 ALA 13 3HB ALA 13 3.050 -2.354 13.192 106 H LYS 14 H LYS 14 1.059 -4.602 9.935 107 HA LYS 14 HA LYS 14 -1.193 -5.705 11.483 108 HB2 LYS 14 2HB LYS 14 -1.924 -4.674 9.400 109 HB3 LYS 14 3HB LYS 14 -0.769 -5.637 8.489 110 HG2 LYS 14 2HG LYS 14 -2.817 -6.704 8.166 111 HG3 LYS 14 3HG LYS 14 -2.003 -7.673 9.397 112 HD2 LYS 14 2HD LYS 14 -3.340 -6.783 11.124 113 HD3 LYS 14 3HD LYS 14 -3.928 -5.471 10.099 114 HE2 LYS 14 2HE LYS 14 -4.987 -7.258 8.653 115 HE3 LYS 14 3HE LYS 14 -4.606 -8.400 9.941 116 HZ1 LYS 14 3HZ LYS 14 -6.794 -6.665 9.755 117 HZ2 LYS 14 1HZ LYS 14 -5.867 -6.183 11.086 118 HZ3 LYS 14 2HZ LYS 14 -6.437 -7.772 10.983 119 H MET 15 H MET 15 -0.465 -7.467 12.508 120 HA MET 15 HA MET 15 1.489 -9.212 11.261 121 HB2 MET 15 2HB MET 15 0.356 -8.864 13.975 122 HB3 MET 15 3HB MET 15 0.848 -10.496 13.544 123 HG2 MET 15 2HG MET 15 2.661 -8.128 13.219 124 HG3 MET 15 3HG MET 15 2.560 -9.053 14.715 125 HE1 MET 15 3HE MET 15 3.454 -12.223 14.368 126 HE2 MET 15 1HE MET 15 5.026 -11.437 14.512 127 HE3 MET 15 2HE MET 15 3.617 -10.743 15.315 128 H LYS 16 H LYS 16 1.118 -11.221 10.463 129 HA LYS 16 HA LYS 16 -1.355 -11.903 9.425 130 HB2 LYS 16 2HB LYS 16 0.984 -12.833 8.868 131 HB3 LYS 16 3HB LYS 16 0.693 -13.978 10.171 132 HG2 LYS 16 2HG LYS 16 -1.243 -14.851 9.032 133 HG3 LYS 16 3HG LYS 16 -1.085 -13.631 7.766 134 HD2 LYS 16 2HD LYS 16 1.180 -15.498 8.359 135 HD3 LYS 16 3HD LYS 16 -0.171 -16.027 7.352 136 HE2 LYS 16 2HE LYS 16 0.334 -14.549 5.665 137 HE3 LYS 16 3HE LYS 16 1.146 -13.421 6.750 138 HZ1 LYS 16 3HZ LYS 16 2.592 -15.789 6.815 139 HZ2 LYS 16 1HZ LYS 16 3.056 -14.316 6.126 140 HZ3 LYS 16 2HZ LYS 16 2.269 -15.479 5.184 141 H GLY 17 H GLY 17 -3.174 -12.343 10.479 142 HA2 GLY 17 2HA GLY 17 -4.547 -13.759 11.768 143 HA3 GLY 17 3HA GLY 17 -3.119 -14.334 12.616 144 H TYR 18 H TYR 18 -3.270 -10.953 12.291 145 HA TYR 18 HA TYR 18 -4.678 -10.568 14.814 146 HB2 TYR 18 2HB TYR 18 -1.895 -9.458 14.469 147 HB3 TYR 18 3HB TYR 18 -2.882 -9.472 15.925 148 HD1 TYR 18 HD1 TYR 18 -0.847 -11.550 13.660 149 HD2 TYR 18 HD2 TYR 18 -2.946 -11.386 17.357 150 HE1 TYR 18 HE1 TYR 18 0.213 -13.660 14.349 151 HE2 TYR 18 HE2 TYR 18 -1.891 -13.494 18.057 152 HH TYR 18 HH TYR 18 -0.862 -15.508 16.903 153 HA PRO 19 HA PRO 19 -6.039 -6.849 12.918 154 HB2 PRO 19 2HB PRO 19 -6.430 -5.271 15.092 155 HB3 PRO 19 3HB PRO 19 -7.490 -6.625 14.685 156 HG2 PRO 19 2HG PRO 19 -5.257 -6.500 16.674 157 HG3 PRO 19 3HG PRO 19 -6.862 -7.236 16.839 158 HD2 PRO 19 2HD PRO 19 -4.641 -8.689 16.303 159 HD3 PRO 19 3HD PRO 19 -6.246 -9.138 15.692 160 H HIS 20 H HIS 20 -5.628 -4.427 12.910 161 HA HIS 20 HA HIS 20 -2.827 -3.979 12.577 162 HB2 HIS 20 2HB HIS 20 -5.082 -1.964 12.503 163 HB3 HIS 20 3HB HIS 20 -3.461 -1.746 11.848 164 HD1 HIS 20 HD1 HIS 20 -6.509 -3.941 11.293 165 HD2 HIS 20 HD2 HIS 20 -3.205 -2.476 9.243 166 HE1 HIS 20 HE1 HIS 20 -6.833 -4.650 8.902 167 H TRP 21 H TRP 21 -1.528 -2.424 13.650 168 HA TRP 21 HA TRP 21 -2.507 -1.323 16.159 169 HB2 TRP 21 2HB TRP 21 -1.700 -3.524 16.829 170 HB3 TRP 21 3HB TRP 21 -0.161 -3.228 16.026 171 HD1 TRP 21 HD1 TRP 21 1.555 -1.555 17.234 172 HE1 TRP 21 HE1 TRP 21 1.737 -0.763 19.677 173 HE3 TRP 21 HE3 TRP 21 -3.087 -2.927 18.880 174 HZ2 TRP 21 HZ2 TRP 21 0.126 -0.725 21.994 175 HZ3 TRP 21 HZ3 TRP 21 -3.688 -2.477 21.223 176 HH2 TRP 21 HH2 TRP 21 -2.113 -1.400 22.747 177 HA PRO 22 HA PRO 22 0.064 2.001 14.816 178 HB2 PRO 22 2HB PRO 22 0.102 3.416 17.133 179 HB3 PRO 22 3HB PRO 22 -1.307 3.356 16.067 180 HG2 PRO 22 2HG PRO 22 -0.760 1.814 18.574 181 HG3 PRO 22 3HG PRO 22 -2.262 2.595 18.046 182 HD2 PRO 22 2HD PRO 22 -1.840 -0.068 17.798 183 HD3 PRO 22 3HD PRO 22 -2.821 0.855 16.642 184 H ALA 23 H ALA 23 2.170 1.641 14.485 185 HA ALA 23 HA ALA 23 3.927 1.426 16.825 186 HB1 ALA 23 1HB ALA 23 3.838 -0.824 16.228 187 HB2 ALA 23 2HB ALA 23 3.816 -0.464 14.501 188 HB3 ALA 23 3HB ALA 23 5.299 -0.241 15.429 189 H ARG 24 H ARG 24 6.347 1.354 15.761 190 HA ARG 24 HA ARG 24 6.451 3.619 13.878 191 HB2 ARG 24 2HB ARG 24 8.414 4.457 15.050 192 HB3 ARG 24 3HB ARG 24 7.052 4.329 16.155 193 HG2 ARG 24 2HG ARG 24 8.650 3.412 17.468 194 HG3 ARG 24 3HG ARG 24 8.144 1.953 16.614 195 HD2 ARG 24 2HD ARG 24 10.346 1.740 16.195 196 HD3 ARG 24 3HD ARG 24 10.010 2.897 14.908 197 HE ARG 24 HE ARG 24 10.580 4.498 16.991 198 HH11 ARG 24 1HH1 ARG 24 12.213 1.741 15.631 199 HH12 ARG 24 2HH1 ARG 24 13.793 2.291 16.081 200 HH21 ARG 24 1HH2 ARG 24 12.655 5.233 17.589 201 HH22 ARG 24 2HH2 ARG 24 14.043 4.276 17.196 202 H VAL 25 H VAL 25 8.620 3.794 12.778 203 HA VAL 25 HA VAL 25 9.478 1.104 11.963 204 HB VAL 25 HB VAL 25 9.775 3.745 10.526 205 HG11 VAL 25 1HG1 VAL 25 10.219 1.654 8.744 206 HG12 VAL 25 2HG1 VAL 25 11.424 2.764 9.399 207 HG13 VAL 25 3HG1 VAL 25 11.128 1.215 10.190 208 HG21 VAL 25 3HG2 VAL 25 7.756 1.601 10.477 209 HG22 VAL 25 1HG2 VAL 25 7.610 3.310 10.066 210 HG23 VAL 25 2HG2 VAL 25 8.295 2.178 8.900 211 H ASP 26 H ASP 26 11.526 0.433 12.228 212 HA ASP 26 HA ASP 26 13.397 2.295 13.515 213 HB2 ASP 26 2HB ASP 26 12.759 0.135 14.669 214 HB3 ASP 26 3HB ASP 26 13.619 -0.714 13.387 215 H GLU 27 H GLU 27 15.702 2.071 12.963 216 HA GLU 27 HA GLU 27 16.018 1.973 10.084 217 HB2 GLU 27 2HB GLU 27 18.039 2.647 12.229 218 HB3 GLU 27 3HB GLU 27 18.244 2.894 10.501 219 HG2 GLU 27 2HG GLU 27 16.629 4.603 10.446 220 HG3 GLU 27 3HG GLU 27 16.028 4.191 12.051 221 H VAL 28 H VAL 28 18.265 1.044 9.359 222 HA VAL 28 HA VAL 28 18.131 -1.745 9.603 223 HB VAL 28 HB VAL 28 20.442 -1.707 8.560 224 HG11 VAL 28 1HG1 VAL 28 19.616 -1.092 6.415 225 HG12 VAL 28 2HG1 VAL 28 18.259 -1.770 7.317 226 HG13 VAL 28 3HG1 VAL 28 18.404 -0.023 7.119 227 HG21 VAL 28 3HG2 VAL 28 21.628 0.177 8.386 228 HG22 VAL 28 1HG2 VAL 28 20.231 1.096 7.824 229 HG23 VAL 28 2HG2 VAL 28 20.500 0.869 9.552 230 HA PRO 29 HA PRO 29 20.378 -2.732 13.243 231 HB2 PRO 29 2HB PRO 29 21.597 -5.043 12.505 232 HB3 PRO 29 3HB PRO 29 19.862 -4.931 12.824 233 HG2 PRO 29 2HG PRO 29 21.312 -4.908 10.205 234 HG3 PRO 29 3HG PRO 29 19.823 -5.761 10.651 235 HD2 PRO 29 2HD PRO 29 19.811 -3.445 9.247 236 HD3 PRO 29 3HD PRO 29 18.517 -3.881 10.382 237 H ASP 30 H ASP 30 22.643 -3.470 13.972 238 HA ASP 30 HA ASP 30 24.521 -1.548 13.186 239 HB2 ASP 30 2HB ASP 30 24.935 -4.159 14.657 240 HB3 ASP 30 3HB ASP 30 26.140 -2.881 14.529 241 H GLY 31 H GLY 31 23.712 -4.576 11.803 242 HA2 GLY 31 2HA GLY 31 24.558 -4.780 9.461 243 HA3 GLY 31 3HA GLY 31 26.150 -4.468 10.136 244 H ALA 32 H ALA 32 25.122 -6.180 12.521 245 HA ALA 32 HA ALA 32 25.414 -8.813 11.247 246 HB1 ALA 32 1HB ALA 32 27.563 -7.807 12.306 247 HB2 ALA 32 2HB ALA 32 26.802 -8.255 13.833 248 HB3 ALA 32 3HB ALA 32 27.141 -9.490 12.621 249 H VAL 33 H VAL 33 23.143 -7.280 12.436 250 HA VAL 33 HA VAL 33 22.490 -8.918 14.774 251 HB VAL 33 HB VAL 33 20.757 -6.732 13.651 252 HG11 VAL 33 1HG1 VAL 33 20.974 -8.231 16.217 253 HG12 VAL 33 2HG1 VAL 33 20.373 -6.573 16.245 254 HG13 VAL 33 3HG1 VAL 33 19.544 -7.796 15.282 255 HG21 VAL 33 3HG2 VAL 33 22.934 -5.729 13.919 256 HG22 VAL 33 1HG2 VAL 33 21.882 -5.186 15.227 257 HG23 VAL 33 2HG2 VAL 33 23.098 -6.427 15.530 258 H LYS 34 H LYS 34 22.419 -9.574 11.718 259 HA LYS 34 HA LYS 34 21.216 -10.961 10.375 260 HB2 LYS 34 2HB LYS 34 21.067 -12.229 12.590 261 HB3 LYS 34 3HB LYS 34 19.452 -11.550 12.747 262 HG2 LYS 34 2HG LYS 34 18.849 -12.598 10.589 263 HG3 LYS 34 3HG LYS 34 20.442 -13.357 10.552 264 HD2 LYS 34 2HD LYS 34 19.085 -15.018 11.453 265 HD3 LYS 34 3HD LYS 34 19.809 -14.274 12.881 266 HE2 LYS 34 2HE LYS 34 17.844 -13.211 13.482 267 HE3 LYS 34 3HE LYS 34 17.193 -13.268 11.845 268 HZ1 LYS 34 3HZ LYS 34 16.055 -15.040 12.498 269 HZ2 LYS 34 1HZ LYS 34 16.890 -15.138 13.966 270 HZ3 LYS 34 2HZ LYS 34 17.514 -15.892 12.586 271 HA PRO 35 HA PRO 35 18.013 -7.639 9.924 272 HB2 PRO 35 2HB PRO 35 18.678 -7.029 7.363 273 HB3 PRO 35 3HB PRO 35 19.475 -6.300 8.762 274 HG2 PRO 35 2HG PRO 35 20.384 -8.569 7.033 275 HG3 PRO 35 3HG PRO 35 21.319 -7.203 7.669 276 HD2 PRO 35 2HD PRO 35 21.391 -9.666 8.792 277 HD3 PRO 35 3HD PRO 35 21.570 -8.178 9.743 278 HA PRO 36 HA PRO 36 15.062 -10.045 7.725 279 HB2 PRO 36 2HB PRO 36 13.633 -8.165 6.386 280 HB3 PRO 36 3HB PRO 36 13.529 -8.383 8.137 281 HG2 PRO 36 2HG PRO 36 15.095 -6.370 6.568 282 HG3 PRO 36 3HG PRO 36 14.137 -6.141 8.043 283 HD2 PRO 36 2HD PRO 36 16.835 -6.367 8.079 284 HD3 PRO 36 3HD PRO 36 15.810 -6.949 9.406 285 H THR 37 H THR 37 14.083 -10.409 5.494 286 HA THR 37 HA THR 37 16.193 -10.081 3.464 287 HB THR 37 HB THR 37 15.956 -12.400 3.897 288 HG1 THR 37 HG1 THR 37 15.997 -11.956 1.674 289 HG21 THR 37 3HG2 THR 37 12.974 -12.051 3.568 290 HG22 THR 37 1HG2 THR 37 13.815 -12.305 5.096 291 HG23 THR 37 2HG2 THR 37 13.813 -13.572 3.870 292 H ASN 38 H ASN 38 12.745 -9.881 4.102 293 HA ASN 38 HA ASN 38 12.439 -8.148 1.785 294 HB2 ASN 38 2HB ASN 38 11.910 -10.633 1.205 295 HB3 ASN 38 3HB ASN 38 10.436 -10.358 2.130 296 HD21 ASN 38 1HD2 ASN 38 12.296 -9.324 -0.653 297 HD22 ASN 38 2HD2 ASN 38 10.970 -8.632 -1.519 298 H LYS 39 H LYS 39 12.354 -7.922 4.734 299 HA LYS 39 HA LYS 39 9.776 -6.556 4.900 300 HB2 LYS 39 2HB LYS 39 10.741 -8.289 7.170 301 HB3 LYS 39 3HB LYS 39 9.173 -7.512 6.992 302 HG2 LYS 39 2HG LYS 39 8.711 -8.997 5.063 303 HG3 LYS 39 3HG LYS 39 10.235 -9.827 5.386 304 HD2 LYS 39 2HD LYS 39 9.323 -10.186 7.751 305 HD3 LYS 39 3HD LYS 39 7.757 -9.721 7.083 306 HE2 LYS 39 2HE LYS 39 7.603 -11.606 5.780 307 HE3 LYS 39 3HE LYS 39 9.351 -11.810 5.680 308 HZ1 LYS 39 3HZ LYS 39 9.123 -12.280 8.204 309 HZ2 LYS 39 1HZ LYS 39 8.751 -13.498 7.091 310 HZ3 LYS 39 2HZ LYS 39 7.509 -12.616 7.825 311 H LEU 40 H LEU 40 9.725 -5.353 7.154 312 HA LEU 40 HA LEU 40 12.393 -4.224 7.670 313 HB2 LEU 40 2HB LEU 40 10.994 -2.046 8.075 314 HB3 LEU 40 3HB LEU 40 11.543 -2.489 6.460 315 HG LEU 40 HG LEU 40 8.828 -3.360 7.319 316 HD11 LEU 40 1HD1 LEU 40 9.697 -0.595 7.216 317 HD12 LEU 40 2HD1 LEU 40 8.175 -1.284 7.781 318 HD13 LEU 40 3HD1 LEU 40 8.403 -0.936 6.067 319 HD21 LEU 40 3HD2 LEU 40 10.135 -3.796 5.078 320 HD22 LEU 40 1HD2 LEU 40 9.547 -2.182 4.681 321 HD23 LEU 40 2HD2 LEU 40 8.402 -3.465 5.071 322 HA PRO 41 HA PRO 41 11.552 -4.668 11.953 323 HB2 PRO 41 2HB PRO 41 12.754 -2.469 12.998 324 HB3 PRO 41 3HB PRO 41 13.659 -3.841 12.348 325 HG2 PRO 41 2HG PRO 41 13.013 -1.217 11.059 326 HG3 PRO 41 3HG PRO 41 14.537 -2.124 11.048 327 HD2 PRO 41 2HD PRO 41 12.806 -2.158 8.966 328 HD3 PRO 41 3HD PRO 41 13.820 -3.553 9.387 329 H ILE 42 H ILE 42 9.679 -4.402 12.976 330 HA ILE 42 HA ILE 42 8.429 -1.732 12.959 331 HB ILE 42 HB ILE 42 6.933 -4.351 13.038 332 HG12 ILE 42 2HG1 ILE 42 8.014 -4.133 10.870 333 HG13 ILE 42 3HG1 ILE 42 6.288 -3.834 10.700 334 HG21 ILE 42 1HG2 ILE 42 5.321 -2.252 12.121 335 HG22 ILE 42 2HG2 ILE 42 5.230 -3.078 13.676 336 HG23 ILE 42 3HG2 ILE 42 6.202 -1.616 13.510 337 HD11 ILE 42 3HD1 ILE 42 6.744 -1.914 9.716 338 HD12 ILE 42 1HD1 ILE 42 7.520 -1.347 11.195 339 HD13 ILE 42 2HD1 ILE 42 8.471 -2.176 9.962 340 H PHE 43 H PHE 43 8.981 -0.994 14.943 341 HA PHE 43 HA PHE 43 8.943 -2.681 17.271 342 HB2 PHE 43 2HB PHE 43 10.525 -0.758 16.957 343 HB3 PHE 43 3HB PHE 43 9.157 0.332 17.155 344 HD1 PHE 43 HD2 PHE 43 10.542 -2.651 18.927 345 HD2 PHE 43 HD1 PHE 43 8.995 1.304 19.215 346 HE1 PHE 43 HE2 PHE 43 10.855 -2.710 21.367 347 HE2 PHE 43 HE1 PHE 43 9.306 1.252 21.655 348 HZ PHE 43 HZ PHE 43 10.236 -0.757 22.734 349 H PHE 44 H PHE 44 7.041 -3.349 18.034 350 HA PHE 44 HA PHE 44 4.606 -1.927 17.701 351 HB2 PHE 44 2HB PHE 44 5.469 -4.419 19.054 352 HB3 PHE 44 3HB PHE 44 3.995 -3.672 19.661 353 HD1 PHE 44 HD1 PHE 44 5.613 -5.001 16.609 354 HD2 PHE 44 HD2 PHE 44 1.969 -3.895 18.511 355 HE1 PHE 44 HE1 PHE 44 4.344 -6.021 14.764 356 HE2 PHE 44 HE2 PHE 44 0.694 -4.914 16.669 357 HZ PHE 44 HZ PHE 44 1.882 -5.979 14.793 358 H PHE 45 H PHE 45 3.945 -0.204 18.783 359 HA PHE 45 HA PHE 45 5.288 0.697 21.147 360 HB2 PHE 45 2HB PHE 45 3.252 1.747 19.296 361 HB3 PHE 45 3HB PHE 45 3.082 2.294 20.960 362 HD1 PHE 45 HD1 PHE 45 5.723 2.673 21.933 363 HD2 PHE 45 HD2 PHE 45 4.206 3.395 18.022 364 HE1 PHE 45 HE1 PHE 45 7.485 4.350 21.562 365 HE2 PHE 45 HE2 PHE 45 5.966 5.072 17.645 366 HZ PHE 45 HZ PHE 45 7.609 5.551 19.416 367 H GLY 46 H GLY 46 4.634 0.629 23.241 368 HA2 GLY 46 2HA GLY 46 3.116 0.340 25.017 369 HA3 GLY 46 3HA GLY 46 1.950 -0.324 23.882 370 H THR 47 H THR 47 3.686 -2.249 22.688 371 HA THR 47 HA THR 47 3.801 -4.180 24.900 372 HB THR 47 HB THR 47 3.520 -5.929 23.318 373 HG1 THR 47 HG1 THR 47 3.375 -5.227 20.986 374 HG21 THR 47 3HG2 THR 47 1.440 -5.301 22.148 375 HG22 THR 47 1HG2 THR 47 1.763 -3.606 22.513 376 HG23 THR 47 2HG2 THR 47 1.455 -4.748 23.822 377 H HIS 48 H HIS 48 5.797 -2.270 23.034 378 HA HIS 48 HA HIS 48 8.026 -2.248 22.559 379 HB2 HIS 48 2HB HIS 48 8.196 -4.037 24.992 380 HB3 HIS 48 3HB HIS 48 9.494 -3.052 24.324 381 HD1 HIS 48 HD1 HIS 48 9.206 -0.425 24.577 382 HD2 HIS 48 HD2 HIS 48 6.516 -2.740 26.737 383 HE1 HIS 48 HE1 HIS 48 8.190 1.131 26.272 384 H GLU 49 H GLU 49 6.406 -4.367 21.341 385 HA GLU 49 HA GLU 49 8.264 -6.609 21.154 386 HB2 GLU 49 2HB GLU 49 5.509 -6.181 19.989 387 HB3 GLU 49 3HB GLU 49 6.476 -7.626 19.732 388 HG2 GLU 49 2HG GLU 49 6.465 -8.057 22.140 389 HG3 GLU 49 3HG GLU 49 5.475 -6.620 22.386 390 H THR 50 H THR 50 8.393 -7.524 18.791 391 HA THR 50 HA THR 50 8.685 -5.420 16.798 392 HB THR 50 HB THR 50 10.867 -5.270 17.657 393 HG1 THR 50 HG1 THR 50 12.134 -6.388 15.990 394 HG21 THR 50 3HG2 THR 50 10.491 -8.125 18.231 395 HG22 THR 50 1HG2 THR 50 11.416 -6.906 19.106 396 HG23 THR 50 2HG2 THR 50 12.113 -7.694 17.690 397 H ALA 51 H ALA 51 7.943 -6.133 14.915 398 HA ALA 51 HA ALA 51 8.217 -8.985 14.261 399 HB1 ALA 51 1HB ALA 51 6.029 -9.329 14.325 400 HB2 ALA 51 2HB ALA 51 5.786 -7.672 14.878 401 HB3 ALA 51 3HB ALA 51 5.778 -8.036 13.152 402 H PHE 52 H PHE 52 8.847 -9.396 12.221 403 HA PHE 52 HA PHE 52 9.493 -7.142 10.523 404 HB2 PHE 52 2HB PHE 52 10.104 -10.082 10.451 405 HB3 PHE 52 3HB PHE 52 10.390 -9.077 9.034 406 HD1 PHE 52 HD1 PHE 52 11.478 -6.644 9.991 407 HD2 PHE 52 HD2 PHE 52 12.083 -10.581 11.489 408 HE1 PHE 52 HE1 PHE 52 13.651 -5.954 10.918 409 HE2 PHE 52 HE2 PHE 52 14.256 -9.898 12.419 410 HZ PHE 52 HZ PHE 52 15.042 -7.581 12.135 411 H LEU 53 H LEU 53 8.133 -6.362 9.067 412 HA LEU 53 HA LEU 53 6.472 -8.189 7.513 413 HB2 LEU 53 2HB LEU 53 5.280 -5.728 8.759 414 HB3 LEU 53 3HB LEU 53 4.449 -7.018 7.894 415 HG LEU 53 HG LEU 53 5.821 -7.449 10.539 416 HD11 LEU 53 1HD1 LEU 53 2.891 -7.287 10.481 417 HD12 LEU 53 2HD1 LEU 53 3.730 -5.753 10.253 418 HD13 LEU 53 3HD1 LEU 53 4.040 -6.721 11.694 419 HD21 LEU 53 3HD2 LEU 53 4.811 -9.214 8.662 420 HD22 LEU 53 1HD2 LEU 53 3.524 -9.082 9.861 421 HD23 LEU 53 2HD2 LEU 53 5.146 -9.563 10.359 422 H GLY 54 H GLY 54 6.533 -7.681 5.420 423 HA2 GLY 54 2HA GLY 54 8.091 -5.622 4.383 424 HA3 GLY 54 3HA GLY 54 6.866 -6.501 3.480 425 HA PRO 55 HA PRO 55 5.680 -1.977 4.004 426 HB2 PRO 55 2HB PRO 55 5.653 -1.361 1.360 427 HB3 PRO 55 3HB PRO 55 7.097 -1.209 2.367 428 HG2 PRO 55 2HG PRO 55 6.324 -3.404 0.484 429 HG3 PRO 55 3HG PRO 55 7.903 -2.632 0.714 430 HD2 PRO 55 2HD PRO 55 7.285 -5.035 1.797 431 HD3 PRO 55 3HD PRO 55 8.385 -3.887 2.587 432 H LYS 56 H LYS 56 4.691 -4.516 1.767 433 HA LYS 56 HA LYS 56 2.114 -3.409 1.227 434 HB2 LYS 56 2HB LYS 56 3.469 -6.019 0.689 435 HB3 LYS 56 3HB LYS 56 1.722 -5.917 0.512 436 HG2 LYS 56 2HG LYS 56 3.516 -3.940 -0.839 437 HG3 LYS 56 3HG LYS 56 3.204 -5.525 -1.551 438 HD2 LYS 56 2HD LYS 56 0.930 -3.799 -0.650 439 HD3 LYS 56 3HD LYS 56 1.704 -3.509 -2.210 440 HE2 LYS 56 2HE LYS 56 1.284 -5.883 -2.799 441 HE3 LYS 56 3HE LYS 56 0.403 -6.068 -1.282 442 HZ1 LYS 56 3HZ LYS 56 -1.392 -5.352 -2.335 443 HZ2 LYS 56 1HZ LYS 56 -0.512 -5.034 -3.745 444 HZ3 LYS 56 2HZ LYS 56 -0.656 -3.844 -2.551 445 H ASP 57 H ASP 57 3.408 -4.837 3.944 446 HA ASP 57 HA ASP 57 0.849 -5.974 4.817 447 HB2 ASP 57 2HB ASP 57 3.690 -6.390 5.589 448 HB3 ASP 57 3HB ASP 57 2.481 -6.563 6.858 449 H ILE 58 H ILE 58 3.035 -3.339 5.361 450 HA ILE 58 HA ILE 58 1.576 -2.507 7.761 451 HB ILE 58 HB ILE 58 3.333 -0.729 7.916 452 HG12 ILE 58 2HG1 ILE 58 4.654 -2.317 5.706 453 HG13 ILE 58 3HG1 ILE 58 3.922 -0.730 5.500 454 HG21 ILE 58 1HG2 ILE 58 4.192 -2.202 9.336 455 HG22 ILE 58 2HG2 ILE 58 3.560 -3.544 8.384 456 HG23 ILE 58 3HG2 ILE 58 5.147 -2.871 8.014 457 HD11 ILE 58 3HD1 ILE 58 6.394 -0.710 5.725 458 HD12 ILE 58 1HD1 ILE 58 5.551 0.278 6.918 459 HD13 ILE 58 2HD1 ILE 58 6.200 -1.297 7.376 460 H PHE 59 H PHE 59 0.244 -0.787 7.810 461 HA PHE 59 HA PHE 59 -0.066 0.750 5.316 462 HB2 PHE 59 2HB PHE 59 -2.029 -0.471 7.160 463 HB3 PHE 59 3HB PHE 59 -2.431 1.141 6.577 464 HD1 PHE 59 HD1 PHE 59 -1.269 -2.166 5.310 465 HD2 PHE 59 HD2 PHE 59 -3.560 1.347 4.584 466 HE1 PHE 59 HE1 PHE 59 -2.089 -3.140 3.204 467 HE2 PHE 59 HE2 PHE 59 -4.385 0.378 2.478 468 HZ PHE 59 HZ PHE 59 -3.650 -1.868 1.786 469 HA PRO 60 HA PRO 60 0.676 4.528 7.416 470 HB2 PRO 60 2HB PRO 60 -1.189 6.190 6.354 471 HB3 PRO 60 3HB PRO 60 0.214 5.616 5.446 472 HG2 PRO 60 2HG PRO 60 -2.607 4.616 5.403 473 HG3 PRO 60 3HG PRO 60 -1.496 4.891 4.048 474 HD2 PRO 60 2HD PRO 60 -1.956 2.430 5.078 475 HD3 PRO 60 3HD PRO 60 -0.390 2.898 4.386 476 H TYR 61 H TYR 61 0.238 5.204 9.415 477 HA TYR 61 HA TYR 61 -2.047 4.370 10.839 478 HB2 TYR 61 2HB TYR 61 -0.926 5.111 12.649 479 HB3 TYR 61 3HB TYR 61 0.411 5.352 11.530 480 HD1 TYR 61 HD2 TYR 61 0.465 7.684 10.330 481 HD2 TYR 61 HD1 TYR 61 -1.656 6.896 13.933 482 HE1 TYR 61 HE2 TYR 61 0.478 10.086 10.857 483 HE2 TYR 61 HE1 TYR 61 -1.650 9.296 14.469 484 HH TYR 61 HH TYR 61 -0.304 11.677 12.218 485 H SER 62 H SER 62 -1.574 6.950 8.697 486 HA SER 62 HA SER 62 -3.356 8.852 9.826 487 HB2 SER 62 2HB SER 62 -1.607 9.344 8.082 488 HB3 SER 62 3HB SER 62 -2.643 8.541 6.903 489 HG SER 62 HG SER 62 -3.758 10.305 6.780 490 H GLU 63 H GLU 63 -3.825 5.909 8.157 491 HA GLU 63 HA GLU 63 -6.557 6.605 7.375 492 HB2 GLU 63 2HB GLU 63 -4.671 4.393 6.682 493 HB3 GLU 63 3HB GLU 63 -6.399 4.110 6.526 494 HG2 GLU 63 2HG GLU 63 -6.513 6.158 5.090 495 HG3 GLU 63 3HG GLU 63 -4.750 6.192 5.119 496 H ASN 64 H ASN 64 -4.770 4.720 9.690 497 HA ASN 64 HA ASN 64 -7.115 3.287 10.612 498 HB2 ASN 64 2HB ASN 64 -4.322 3.388 11.775 499 HB3 ASN 64 3HB ASN 64 -5.597 2.264 12.238 500 HD21 ASN 64 1HD2 ASN 64 -3.379 3.198 9.710 501 HD22 ASN 64 2HD2 ASN 64 -3.444 1.709 8.836 502 H LYS 65 H LYS 65 -5.035 5.924 11.697 503 HA LYS 65 HA LYS 65 -6.053 6.285 14.261 504 HB2 LYS 65 2HB LYS 65 -5.051 8.421 14.233 505 HB3 LYS 65 3HB LYS 65 -4.053 7.431 13.177 506 HG2 LYS 65 2HG LYS 65 -5.276 8.374 11.232 507 HG3 LYS 65 3HG LYS 65 -6.120 9.454 12.344 508 HD2 LYS 65 2HD LYS 65 -3.135 9.328 11.912 509 HD3 LYS 65 3HD LYS 65 -4.221 10.578 11.299 510 HE2 LYS 65 2HE LYS 65 -3.578 9.963 14.179 511 HE3 LYS 65 3HE LYS 65 -3.128 11.405 13.270 512 HZ1 LYS 65 3HZ LYS 65 -4.970 12.022 14.548 513 HZ2 LYS 65 1HZ LYS 65 -5.816 10.597 14.205 514 HZ3 LYS 65 2HZ LYS 65 -5.605 11.766 13.001 515 H GLU 66 H GLU 66 -7.429 7.052 11.175 516 HA GLU 66 HA GLU 66 -9.450 8.805 12.298 517 HB2 GLU 66 2HB GLU 66 -10.257 9.033 10.020 518 HB3 GLU 66 3HB GLU 66 -8.513 9.254 10.060 519 HG2 GLU 66 2HG GLU 66 -8.106 7.196 9.047 520 HG3 GLU 66 3HG GLU 66 -9.723 6.596 9.408 521 H LYS 67 H LYS 67 -9.023 5.475 11.686 522 HA LYS 67 HA LYS 67 -11.777 4.782 11.342 523 HB2 LYS 67 2HB LYS 67 -9.211 3.345 11.625 524 HB3 LYS 67 3HB LYS 67 -10.630 2.475 12.194 525 HG2 LYS 67 2HG LYS 67 -10.783 3.758 9.525 526 HG3 LYS 67 3HG LYS 67 -9.781 2.314 9.694 527 HD2 LYS 67 2HD LYS 67 -11.945 1.576 9.052 528 HD3 LYS 67 3HD LYS 67 -11.768 1.197 10.766 529 HE2 LYS 67 2HE LYS 67 -13.972 2.146 10.262 530 HE3 LYS 67 3HE LYS 67 -13.050 3.173 11.358 531 HZ1 LYS 67 3HZ LYS 67 -13.211 4.842 9.933 532 HZ2 LYS 67 1HZ LYS 67 -14.212 3.895 8.951 533 HZ3 LYS 67 2HZ LYS 67 -12.542 3.919 8.682 534 H TYR 68 H TYR 68 -9.517 4.119 14.026 535 HA TYR 68 HA TYR 68 -11.761 4.486 15.890 536 HB2 TYR 68 2HB TYR 68 -9.746 2.443 16.619 537 HB3 TYR 68 3HB TYR 68 -11.482 2.466 16.905 538 HD1 TYR 68 HD2 TYR 68 -13.038 1.721 15.134 539 HD2 TYR 68 HD1 TYR 68 -8.821 1.395 14.675 540 HE1 TYR 68 HE2 TYR 68 -13.368 0.134 13.285 541 HE2 TYR 68 HE1 TYR 68 -9.139 -0.192 12.824 542 HH TYR 68 HH TYR 68 -12.299 -1.458 12.011 543 H GLY 69 H GLY 69 -8.390 4.804 15.160 544 HA2 GLY 69 2HA GLY 69 -6.820 6.228 16.073 545 HA3 GLY 69 3HA GLY 69 -8.066 6.831 17.156 546 H LYS 70 H LYS 70 -8.436 3.802 17.826 547 HA LYS 70 HA LYS 70 -6.041 3.313 19.397 548 HB2 LYS 70 2HB LYS 70 -6.996 3.433 21.509 549 HB3 LYS 70 3HB LYS 70 -7.725 4.811 20.695 550 HG2 LYS 70 2HG LYS 70 -9.013 2.113 21.065 551 HG3 LYS 70 3HG LYS 70 -9.354 3.561 22.016 552 HD2 LYS 70 2HD LYS 70 -10.017 4.698 19.885 553 HD3 LYS 70 3HD LYS 70 -9.861 3.138 19.074 554 HE2 LYS 70 2HE LYS 70 -11.600 3.482 21.495 555 HE3 LYS 70 3HE LYS 70 -12.191 3.864 19.878 556 HZ1 LYS 70 3HZ LYS 70 -12.789 1.628 20.422 557 HZ2 LYS 70 1HZ LYS 70 -11.195 1.234 20.828 558 HZ3 LYS 70 2HZ LYS 70 -11.598 1.574 19.222 559 HA PRO 71 HA PRO 71 -7.030 -0.905 18.694 560 HB2 PRO 71 2HB PRO 71 -6.095 -2.087 20.952 561 HB3 PRO 71 3HB PRO 71 -5.033 -1.433 19.699 562 HG2 PRO 71 2HG PRO 71 -5.869 -0.212 22.301 563 HG3 PRO 71 3HG PRO 71 -4.266 -0.242 21.544 564 HD2 PRO 71 2HD PRO 71 -5.889 1.923 21.433 565 HD3 PRO 71 3HD PRO 71 -4.765 1.503 20.124 566 H ASN 72 H ASN 72 -8.566 -2.471 19.101 567 HA ASN 72 HA ASN 72 -10.618 -1.733 21.054 568 HB2 ASN 72 2HB ASN 72 -11.343 -2.057 18.727 569 HB3 ASN 72 3HB ASN 72 -10.724 -3.706 18.761 570 HD21 ASN 72 1HD2 ASN 72 -12.734 -4.581 18.315 571 HD22 ASN 72 2HD2 ASN 72 -14.004 -4.623 19.486 572 H LYS 73 H LYS 73 -9.084 -4.726 19.861 573 HA LYS 73 HA LYS 73 -9.342 -5.822 22.586 574 HB2 LYS 73 2HB LYS 73 -10.757 -6.852 20.680 575 HB3 LYS 73 3HB LYS 73 -9.237 -7.534 20.116 576 HG2 LYS 73 2HG LYS 73 -9.000 -8.878 22.005 577 HG3 LYS 73 3HG LYS 73 -10.164 -7.933 22.936 578 HD2 LYS 73 2HD LYS 73 -11.992 -8.809 21.720 579 HD3 LYS 73 3HD LYS 73 -10.938 -9.477 20.472 580 HE2 LYS 73 2HE LYS 73 -9.944 -10.796 22.544 581 HE3 LYS 73 3HE LYS 73 -11.554 -10.497 23.196 582 HZ1 LYS 73 3HZ LYS 73 -11.052 -12.613 21.773 583 HZ2 LYS 73 1HZ LYS 73 -11.325 -11.563 20.475 584 HZ3 LYS 73 2HZ LYS 73 -12.535 -11.811 21.631 585 H ARG 74 H ARG 74 -7.124 -4.297 21.516 586 HA ARG 74 HA ARG 74 -5.034 -6.375 21.507 587 HB2 ARG 74 2HB ARG 74 -5.123 -3.674 20.173 588 HB3 ARG 74 3HB ARG 74 -3.618 -4.552 20.414 589 HG2 ARG 74 2HG ARG 74 -5.999 -5.540 18.857 590 HG3 ARG 74 3HG ARG 74 -4.511 -4.885 18.171 591 HD2 ARG 74 2HD ARG 74 -3.786 -6.997 18.125 592 HD3 ARG 74 3HD ARG 74 -3.597 -6.841 19.871 593 HE ARG 74 HE ARG 74 -6.244 -7.613 19.180 594 HH11 ARG 74 1HH1 ARG 74 -2.996 -8.820 19.518 595 HH12 ARG 74 2HH1 ARG 74 -3.496 -10.445 19.855 596 HH21 ARG 74 1HH2 ARG 74 -6.914 -9.748 19.622 597 HH22 ARG 74 2HH2 ARG 74 -5.725 -10.971 19.913 598 H LYS 75 H LYS 75 -4.006 -6.494 23.381 599 HA LYS 75 HA LYS 75 -4.205 -4.731 25.500 600 HB2 LYS 75 2HB LYS 75 -2.244 -6.861 24.761 601 HB3 LYS 75 3HB LYS 75 -1.880 -5.816 26.128 602 HG2 LYS 75 2HG LYS 75 -4.546 -7.136 25.983 603 HG3 LYS 75 3HG LYS 75 -3.137 -8.078 26.472 604 HD2 LYS 75 2HD LYS 75 -3.934 -5.466 27.748 605 HD3 LYS 75 3HD LYS 75 -4.422 -7.048 28.362 606 HE2 LYS 75 2HE LYS 75 -1.823 -7.505 28.220 607 HE3 LYS 75 3HE LYS 75 -1.745 -5.748 28.350 608 HZ1 LYS 75 3HZ LYS 75 -3.496 -7.088 30.241 609 HZ2 LYS 75 1HZ LYS 75 -2.443 -5.785 30.474 610 HZ3 LYS 75 2HZ LYS 75 -1.841 -7.365 30.451 611 H GLY 76 H GLY 76 -2.843 -3.135 26.368 612 HA2 GLY 76 2HA GLY 76 -0.877 -1.761 26.293 613 HA3 GLY 76 3HA GLY 76 -0.760 -2.090 24.571 614 H PHE 77 H PHE 77 -3.943 -1.566 25.164 615 HA PHE 77 HA PHE 77 -4.141 0.786 23.728 616 HB2 PHE 77 2HB PHE 77 -6.427 0.947 24.543 617 HB3 PHE 77 3HB PHE 77 -6.036 -0.736 24.203 618 HD1 PHE 77 HD2 PHE 77 -6.757 1.720 26.810 619 HD2 PHE 77 HD1 PHE 77 -5.833 -2.352 25.985 620 HE1 PHE 77 HE2 PHE 77 -7.444 1.106 29.091 621 HE2 PHE 77 HE1 PHE 77 -6.520 -2.973 28.265 622 HZ PHE 77 HZ PHE 77 -7.325 -1.243 29.822 623 H ASN 78 H ASN 78 -3.976 2.908 24.166 624 HA ASN 78 HA ASN 78 -3.584 4.851 25.283 625 HB2 ASN 78 2HB ASN 78 -5.307 3.361 27.000 626 HB3 ASN 78 3HB ASN 78 -4.101 4.164 28.001 627 HD21 ASN 78 1HD2 ASN 78 -5.617 5.161 24.965 628 HD22 ASN 78 2HD2 ASN 78 -6.297 6.624 25.583 629 H GLU 79 H GLU 79 -1.635 2.535 25.163 630 HA GLU 79 HA GLU 79 0.205 3.539 27.233 631 HB2 GLU 79 2HB GLU 79 0.299 0.734 26.142 632 HB3 GLU 79 3HB GLU 79 1.102 1.375 27.569 633 HG2 GLU 79 2HG GLU 79 -1.780 0.670 27.195 634 HG3 GLU 79 3HG GLU 79 -0.644 0.093 28.413 635 H GLY 80 H GLY 80 0.460 5.001 25.182 636 HA2 GLY 80 2HA GLY 80 2.615 5.503 24.102 637 HA3 GLY 80 3HA GLY 80 2.638 3.830 23.563 638 H LEU 81 H LEU 81 -0.488 4.906 23.375 639 HA LEU 81 HA LEU 81 -0.471 4.921 20.530 640 HB2 LEU 81 2HB LEU 81 -2.393 4.096 21.691 641 HB3 LEU 81 3HB LEU 81 -2.593 5.624 22.547 642 HG LEU 81 HG LEU 81 -2.907 6.560 20.099 643 HD11 LEU 81 1HD1 LEU 81 -2.436 4.131 19.279 644 HD12 LEU 81 2HD1 LEU 81 -3.693 5.097 18.509 645 HD13 LEU 81 3HD1 LEU 81 -4.129 3.869 19.696 646 HD21 LEU 81 3HD2 LEU 81 -5.222 6.535 20.461 647 HD22 LEU 81 1HD2 LEU 81 -4.519 6.454 22.077 648 HD23 LEU 81 2HD2 LEU 81 -5.161 4.996 21.320 649 H TRP 82 H TRP 82 -1.029 7.457 22.961 650 HA TRP 82 HA TRP 82 -1.209 9.532 20.991 651 HB2 TRP 82 2HB TRP 82 -2.422 9.919 22.987 652 HB3 TRP 82 3HB TRP 82 -1.035 9.528 23.999 653 HD1 TRP 82 HD1 TRP 82 -2.485 12.361 21.871 654 HE1 TRP 82 HE1 TRP 82 -1.273 14.549 22.481 655 HE3 TRP 82 HE3 TRP 82 1.153 10.453 24.915 656 HZ2 TRP 82 HZ2 TRP 82 0.933 15.358 24.045 657 HZ3 TRP 82 HZ3 TRP 82 2.775 12.002 25.928 658 HH2 TRP 82 HH2 TRP 82 2.666 14.403 25.500 659 H GLU 83 H GLU 83 1.349 7.935 22.597 660 HA GLU 83 HA GLU 83 3.238 10.110 22.348 661 HB2 GLU 83 2HB GLU 83 3.372 7.283 23.328 662 HB3 GLU 83 3HB GLU 83 4.859 8.140 22.948 663 HG2 GLU 83 2HG GLU 83 4.334 9.854 24.561 664 HG3 GLU 83 3HG GLU 83 2.772 9.107 24.888 665 H ILE 84 H ILE 84 2.087 7.532 20.411 666 HA ILE 84 HA ILE 84 4.226 6.838 18.828 667 HB ILE 84 HB ILE 84 1.829 5.973 18.704 668 HG12 ILE 84 2HG1 ILE 84 3.338 6.574 16.151 669 HG13 ILE 84 3HG1 ILE 84 3.586 5.186 17.205 670 HG21 ILE 84 1HG2 ILE 84 0.216 7.061 17.500 671 HG22 ILE 84 2HG2 ILE 84 1.076 8.440 18.184 672 HG23 ILE 84 3HG2 ILE 84 1.386 7.945 16.520 673 HD11 ILE 84 3HD1 ILE 84 0.872 5.159 16.537 674 HD12 ILE 84 1HD1 ILE 84 1.739 5.525 15.045 675 HD13 ILE 84 2HD1 ILE 84 2.138 4.073 15.964 676 H ASP 85 H ASP 85 2.441 9.826 18.878 677 HA ASP 85 HA ASP 85 4.031 10.802 16.598 678 HB2 ASP 85 2HB ASP 85 1.355 10.815 16.721 679 HB3 ASP 85 3HB ASP 85 1.670 12.342 17.542 680 H ASN 86 H ASN 86 3.289 11.207 19.942 681 HA ASN 86 HA ASN 86 4.556 13.823 20.090 682 HB2 ASN 86 2HB ASN 86 3.116 12.069 22.061 683 HB3 ASN 86 3HB ASN 86 4.091 13.427 22.615 684 HD21 ASN 86 1HD2 ASN 86 1.352 12.511 20.623 685 HD22 ASN 86 2HD2 ASN 86 0.559 14.045 20.682 686 H ASN 87 H ASN 87 4.979 10.810 21.954 687 HA ASN 87 HA ASN 87 7.869 11.374 22.015 688 HB2 ASN 87 2HB ASN 87 6.540 11.357 24.207 689 HB3 ASN 87 3HB ASN 87 6.406 9.616 23.978 690 HD21 ASN 87 1HD2 ASN 87 7.654 10.792 26.171 691 HD22 ASN 87 2HD2 ASN 87 9.338 10.412 26.116 692 HA PRO 88 HA PRO 88 7.301 7.521 19.494 693 HB2 PRO 88 2HB PRO 88 9.116 8.218 17.600 694 HB3 PRO 88 3HB PRO 88 7.420 8.710 17.531 695 HG2 PRO 88 2HG PRO 88 9.805 10.261 18.462 696 HG3 PRO 88 3HG PRO 88 8.449 10.793 17.451 697 HD2 PRO 88 2HD PRO 88 8.606 11.360 20.094 698 HD3 PRO 88 3HD PRO 88 7.058 11.107 19.262 699 H LYS 89 H LYS 89 9.762 9.036 21.254 700 HA LYS 89 HA LYS 89 11.549 6.718 20.931 701 HB2 LYS 89 2HB LYS 89 12.123 9.561 21.762 702 HB3 LYS 89 3HB LYS 89 13.285 8.256 21.961 703 HG2 LYS 89 2HG LYS 89 12.072 8.996 19.311 704 HG3 LYS 89 3HG LYS 89 13.586 9.673 19.916 705 HD2 LYS 89 2HD LYS 89 13.266 6.713 19.881 706 HD3 LYS 89 3HD LYS 89 13.556 7.546 18.353 707 HE2 LYS 89 2HE LYS 89 15.487 8.702 19.643 708 HE3 LYS 89 3HE LYS 89 15.307 7.362 20.775 709 HZ1 LYS 89 3HZ LYS 89 15.475 5.916 18.676 710 HZ2 LYS 89 1HZ LYS 89 16.892 6.604 19.295 711 HZ3 LYS 89 2HZ LYS 89 16.137 7.292 17.947 712 H VAL 90 H VAL 90 9.138 6.998 22.664 713 HA VAL 90 HA VAL 90 9.873 7.346 25.353 714 HB VAL 90 HB VAL 90 7.533 7.314 24.615 715 HG11 VAL 90 1HG1 VAL 90 7.096 4.480 24.586 716 HG12 VAL 90 2HG1 VAL 90 6.694 5.685 23.360 717 HG13 VAL 90 3HG1 VAL 90 8.283 4.918 23.357 718 HG21 VAL 90 3HG2 VAL 90 8.176 6.823 26.977 719 HG22 VAL 90 1HG2 VAL 90 6.625 6.138 26.492 720 HG23 VAL 90 2HG2 VAL 90 8.050 5.105 26.600 721 H LYS 91 H LYS 91 10.411 4.750 23.157 722 HA LYS 91 HA LYS 91 10.609 2.564 24.867 723 HB2 LYS 91 2HB LYS 91 11.969 1.526 23.172 724 HB3 LYS 91 3HB LYS 91 10.713 2.469 22.381 725 HG2 LYS 91 2HG LYS 91 12.452 3.152 21.120 726 HG3 LYS 91 3HG LYS 91 12.651 4.308 22.439 727 HD2 LYS 91 2HD LYS 91 14.520 3.287 23.232 728 HD3 LYS 91 3HD LYS 91 13.974 1.677 22.754 729 HE2 LYS 91 2HE LYS 91 14.775 1.896 20.610 730 HE3 LYS 91 3HE LYS 91 14.665 3.655 20.634 731 HZ1 LYS 91 3HZ LYS 91 16.497 3.007 22.580 732 HZ2 LYS 91 1HZ LYS 91 16.827 3.665 21.057 733 HZ3 LYS 91 2HZ LYS 91 16.872 1.990 21.281 734 H PHE 92 H PHE 92 12.805 5.223 24.326 735 HA PHE 92 HA PHE 92 15.147 4.146 25.402 736 HB2 PHE 92 2HB PHE 92 14.588 6.484 24.254 737 HB3 PHE 92 3HB PHE 92 14.507 7.008 25.932 738 HD1 PHE 92 HD1 PHE 92 16.717 5.153 23.580 739 HD2 PHE 92 HD2 PHE 92 16.440 7.656 27.011 740 HE1 PHE 92 HE1 PHE 92 19.169 5.350 23.630 741 HE2 PHE 92 HE2 PHE 92 18.891 7.858 27.066 742 HZ PHE 92 HZ PHE 92 20.259 6.705 25.374 743 H SER 93 H SER 93 15.918 3.875 27.431 744 HA SER 93 HA SER 93 14.106 4.569 29.649 745 HB2 SER 93 2HB SER 93 14.307 2.119 29.207 746 HB3 SER 93 3HB SER 93 16.034 2.238 29.542 747 HG SER 93 HG SER 93 15.625 2.346 31.609 Start of MODEL 15 1 H MET 1 H MET 1 3.598 1.930 1.528 2 HA MET 1 HA MET 1 2.046 -0.398 1.355 3 HB2 MET 1 2HB MET 1 2.377 1.838 -0.652 4 HB3 MET 1 3HB MET 1 1.105 0.624 -0.699 5 HG2 MET 1 2HG MET 1 1.481 2.351 1.711 6 HG3 MET 1 3HG MET 1 0.597 2.937 0.304 7 HE1 MET 1 3HE MET 1 -1.376 2.689 -0.252 8 HE2 MET 1 1HE MET 1 -2.390 1.252 -0.120 9 HE3 MET 1 2HE MET 1 -2.523 2.538 1.080 10 H THR 2 H THR 2 3.925 0.899 -1.372 11 HA THR 2 HA THR 2 4.501 -1.871 -2.178 12 HB THR 2 HB THR 2 4.824 0.521 -3.973 13 HG1 THR 2 HG1 THR 2 2.452 -1.030 -3.657 14 HG21 THR 2 3HG2 THR 2 5.027 -0.983 -5.659 15 HG22 THR 2 1HG2 THR 2 3.885 -2.114 -4.934 16 HG23 THR 2 2HG2 THR 2 5.547 -2.041 -4.348 17 H ARG 3 H ARG 3 5.933 1.076 -1.132 18 HA ARG 3 HA ARG 3 8.610 0.014 -1.759 19 HB2 ARG 3 2HB ARG 3 9.273 2.500 -1.373 20 HB3 ARG 3 3HB ARG 3 8.540 2.032 -2.901 21 HG2 ARG 3 2HG ARG 3 7.558 4.085 -2.157 22 HG3 ARG 3 3HG ARG 3 6.353 2.801 -2.038 23 HD2 ARG 3 2HD ARG 3 6.637 2.649 0.323 24 HD3 ARG 3 3HD ARG 3 8.053 3.698 0.279 25 HE ARG 3 HE ARG 3 5.295 4.507 0.280 26 HH11 ARG 3 1HH1 ARG 3 8.545 5.412 -0.578 27 HH12 ARG 3 2HH1 ARG 3 8.223 7.114 -0.530 28 HH21 ARG 3 1HH2 ARG 3 4.858 6.745 0.347 29 HH22 ARG 3 2HH2 ARG 3 6.126 7.871 -0.002 30 H ASP 4 H ASP 4 10.301 0.976 -0.169 31 HA ASP 4 HA ASP 4 9.609 0.034 2.435 32 HB2 ASP 4 2HB ASP 4 11.904 -0.043 1.234 33 HB3 ASP 4 3HB ASP 4 12.096 1.607 1.821 34 H PHE 5 H PHE 5 9.796 1.246 4.420 35 HA PHE 5 HA PHE 5 8.775 3.975 4.104 36 HB2 PHE 5 2HB PHE 5 8.455 1.844 6.150 37 HB3 PHE 5 3HB PHE 5 8.434 3.509 6.723 38 HD1 PHE 5 HD2 PHE 5 6.736 1.035 4.612 39 HD2 PHE 5 HD1 PHE 5 6.610 4.971 6.226 40 HE1 PHE 5 HE2 PHE 5 4.375 1.227 3.948 41 HE2 PHE 5 HE1 PHE 5 4.248 5.170 5.565 42 HZ PHE 5 HZ PHE 5 3.128 3.297 4.424 43 H LYS 6 H LYS 6 9.364 5.318 6.236 44 HA LYS 6 HA LYS 6 12.296 5.418 6.263 45 HB2 LYS 6 2HB LYS 6 10.142 7.453 6.710 46 HB3 LYS 6 3HB LYS 6 11.746 7.722 7.377 47 HG2 LYS 6 2HG LYS 6 11.435 7.030 4.490 48 HG3 LYS 6 3HG LYS 6 11.134 8.679 5.046 49 HD2 LYS 6 2HD LYS 6 13.670 7.157 5.629 50 HD3 LYS 6 3HD LYS 6 13.473 8.233 4.244 51 HE2 LYS 6 2HE LYS 6 12.894 10.060 5.839 52 HE3 LYS 6 3HE LYS 6 13.294 8.967 7.163 53 HZ1 LYS 6 3HZ LYS 6 15.542 8.828 6.367 54 HZ2 LYS 6 1HZ LYS 6 15.131 10.457 6.563 55 HZ3 LYS 6 2HZ LYS 6 15.177 9.778 5.015 56 HA PRO 7 HA PRO 7 12.656 4.260 10.480 57 HB2 PRO 7 2HB PRO 7 14.637 5.897 11.356 58 HB3 PRO 7 3HB PRO 7 14.926 4.540 10.260 59 HG2 PRO 7 2HG PRO 7 14.638 7.454 9.634 60 HG3 PRO 7 3HG PRO 7 15.802 6.281 8.991 61 HD2 PRO 7 2HD PRO 7 13.594 7.043 7.621 62 HD3 PRO 7 3HD PRO 7 14.288 5.414 7.484 63 H GLY 8 H GLY 8 11.273 4.676 12.079 64 HA2 GLY 8 2HA GLY 8 10.369 5.868 13.867 65 HA3 GLY 8 3HA GLY 8 11.173 7.315 13.277 66 H ASP 9 H ASP 9 9.238 5.408 11.120 67 HA ASP 9 HA ASP 9 7.405 7.648 10.817 68 HB2 ASP 9 2HB ASP 9 8.215 5.324 9.172 69 HB3 ASP 9 3HB ASP 9 6.542 5.847 8.994 70 H LEU 10 H LEU 10 5.192 7.538 11.107 71 HA LEU 10 HA LEU 10 4.303 5.511 12.984 72 HB2 LEU 10 2HB LEU 10 2.814 7.885 11.873 73 HB3 LEU 10 3HB LEU 10 2.325 6.888 13.241 74 HG LEU 10 HG LEU 10 3.163 8.785 14.263 75 HD11 LEU 10 1HD1 LEU 10 5.099 8.121 15.424 76 HD12 LEU 10 2HD1 LEU 10 5.681 7.156 14.068 77 HD13 LEU 10 3HD1 LEU 10 4.274 6.625 14.989 78 HD21 LEU 10 3HD2 LEU 10 4.256 9.413 11.899 79 HD22 LEU 10 1HD2 LEU 10 5.713 8.958 12.781 80 HD23 LEU 10 2HD2 LEU 10 4.669 10.237 13.403 81 H ILE 11 H ILE 11 3.512 3.661 12.247 82 HA ILE 11 HA ILE 11 1.465 3.694 10.187 83 HB ILE 11 HB ILE 11 2.530 1.879 8.889 84 HG12 ILE 11 2HG1 ILE 11 5.205 2.034 9.352 85 HG13 ILE 11 3HG1 ILE 11 4.581 2.213 10.988 86 HG21 ILE 11 1HG2 ILE 11 3.779 3.292 7.541 87 HG22 ILE 11 2HG2 ILE 11 2.751 4.415 8.431 88 HG23 ILE 11 3HG2 ILE 11 4.432 4.188 8.912 89 HD11 ILE 11 3HD1 ILE 11 3.126 0.109 10.099 90 HD12 ILE 11 1HD1 ILE 11 4.645 -0.129 9.237 91 HD13 ILE 11 2HD1 ILE 11 4.638 -0.020 10.998 92 H PHE 12 H PHE 12 0.073 1.940 10.271 93 HA PHE 12 HA PHE 12 0.089 0.490 12.767 94 HB2 PHE 12 2HB PHE 12 -1.851 0.951 10.565 95 HB3 PHE 12 3HB PHE 12 -2.041 -0.533 11.493 96 HD1 PHE 12 HD2 PHE 12 -0.934 2.824 12.635 97 HD2 PHE 12 HD1 PHE 12 -3.944 -0.183 12.770 98 HE1 PHE 12 HE2 PHE 12 -2.106 4.081 14.396 99 HE2 PHE 12 HE1 PHE 12 -5.121 1.069 14.531 100 HZ PHE 12 HZ PHE 12 -4.201 3.204 15.347 101 H ALA 13 H ALA 13 1.133 -1.360 13.022 102 HA ALA 13 HA ALA 13 2.040 -2.905 10.770 103 HB1 ALA 13 1HB ALA 13 3.349 -4.096 12.271 104 HB2 ALA 13 2HB ALA 13 3.249 -2.500 13.017 105 HB3 ALA 13 3HB ALA 13 2.239 -3.818 13.614 106 H LYS 14 H LYS 14 1.132 -4.667 9.913 107 HA LYS 14 HA LYS 14 -1.191 -5.832 11.302 108 HB2 LYS 14 2HB LYS 14 -1.768 -4.692 9.199 109 HB3 LYS 14 3HB LYS 14 -0.629 -5.714 8.333 110 HG2 LYS 14 2HG LYS 14 -2.965 -6.438 8.072 111 HG3 LYS 14 3HG LYS 14 -1.944 -7.672 8.815 112 HD2 LYS 14 2HD LYS 14 -2.887 -7.351 10.926 113 HD3 LYS 14 3HD LYS 14 -3.538 -5.767 10.496 114 HE2 LYS 14 2HE LYS 14 -4.829 -7.291 8.702 115 HE3 LYS 14 3HE LYS 14 -4.617 -8.474 9.992 116 HZ1 LYS 14 3HZ LYS 14 -6.483 -6.385 9.833 117 HZ2 LYS 14 1HZ LYS 14 -5.473 -6.089 11.157 118 HZ3 LYS 14 2HZ LYS 14 -6.313 -7.552 11.045 119 H MET 15 H MET 15 -0.504 -7.631 12.293 120 HA MET 15 HA MET 15 1.490 -9.335 11.038 121 HB2 MET 15 2HB MET 15 0.316 -9.070 13.751 122 HB3 MET 15 3HB MET 15 0.864 -10.673 13.279 123 HG2 MET 15 2HG MET 15 3.059 -9.549 12.640 124 HG3 MET 15 3HG MET 15 2.463 -8.153 13.536 125 HE1 MET 15 3HE MET 15 2.432 -12.128 14.133 126 HE2 MET 15 1HE MET 15 4.027 -11.601 13.596 127 HE3 MET 15 2HE MET 15 3.803 -12.191 15.243 128 H LYS 16 H LYS 16 1.105 -11.270 10.113 129 HA LYS 16 HA LYS 16 -1.376 -11.939 9.098 130 HB2 LYS 16 2HB LYS 16 0.985 -13.738 9.668 131 HB3 LYS 16 3HB LYS 16 -0.398 -14.201 8.686 132 HG2 LYS 16 2HG LYS 16 1.164 -11.748 8.005 133 HG3 LYS 16 3HG LYS 16 1.761 -13.344 7.544 134 HD2 LYS 16 2HD LYS 16 -1.073 -12.692 6.932 135 HD3 LYS 16 3HD LYS 16 0.180 -11.917 5.958 136 HE2 LYS 16 2HE LYS 16 -0.263 -13.851 4.764 137 HE3 LYS 16 3HE LYS 16 1.139 -14.310 5.729 138 HZ1 LYS 16 3HZ LYS 16 -0.738 -15.953 5.670 139 HZ2 LYS 16 1HZ LYS 16 -1.642 -14.857 6.589 140 HZ3 LYS 16 2HZ LYS 16 -0.214 -15.510 7.216 141 H GLY 17 H GLY 17 -3.164 -12.366 10.220 142 HA2 GLY 17 2HA GLY 17 -4.507 -13.874 11.452 143 HA3 GLY 17 3HA GLY 17 -3.059 -14.481 12.241 144 H TYR 18 H TYR 18 -3.341 -11.074 12.038 145 HA TYR 18 HA TYR 18 -4.631 -10.835 14.637 146 HB2 TYR 18 2HB TYR 18 -1.883 -9.662 14.196 147 HB3 TYR 18 3HB TYR 18 -2.817 -9.672 15.687 148 HD1 TYR 18 HD1 TYR 18 -0.836 -11.742 13.372 149 HD2 TYR 18 HD2 TYR 18 -2.838 -11.590 17.123 150 HE1 TYR 18 HE1 TYR 18 0.259 -13.842 14.034 151 HE2 TYR 18 HE2 TYR 18 -1.747 -13.689 17.796 152 HH TYR 18 HH TYR 18 0.418 -15.427 15.584 153 HA PRO 19 HA PRO 19 -6.198 -7.102 12.939 154 HB2 PRO 19 2HB PRO 19 -6.564 -5.626 15.188 155 HB3 PRO 19 3HB PRO 19 -7.590 -7.002 14.764 156 HG2 PRO 19 2HG PRO 19 -5.290 -6.872 16.676 157 HG3 PRO 19 3HG PRO 19 -6.860 -7.674 16.867 158 HD2 PRO 19 2HD PRO 19 -4.610 -9.021 16.194 159 HD3 PRO 19 3HD PRO 19 -6.219 -9.504 15.622 160 H HIS 20 H HIS 20 -5.876 -4.665 13.019 161 HA HIS 20 HA HIS 20 -3.108 -4.099 12.600 162 HB2 HIS 20 2HB HIS 20 -5.266 -2.011 12.780 163 HB3 HIS 20 3HB HIS 20 -3.804 -1.998 11.799 164 HD1 HIS 20 HD1 HIS 20 -3.810 -3.763 9.751 165 HD2 HIS 20 HD2 HIS 20 -7.486 -2.936 11.501 166 HE1 HIS 20 HE1 HIS 20 -5.534 -4.537 8.092 167 H TRP 21 H TRP 21 -1.789 -2.626 13.715 168 HA TRP 21 HA TRP 21 -2.711 -1.598 16.276 169 HB2 TRP 21 2HB TRP 21 -1.912 -3.817 16.875 170 HB3 TRP 21 3HB TRP 21 -0.391 -3.526 16.035 171 HD1 TRP 21 HD1 TRP 21 1.255 -1.627 17.170 172 HE1 TRP 21 HE1 TRP 21 1.572 -1.007 19.647 173 HE3 TRP 21 HE3 TRP 21 -3.046 -3.639 19.066 174 HZ2 TRP 21 HZ2 TRP 21 0.183 -1.329 22.084 175 HZ3 TRP 21 HZ3 TRP 21 -3.476 -3.440 21.480 176 HH2 TRP 21 HH2 TRP 21 -1.894 -2.309 22.956 177 HA PRO 22 HA PRO 22 -0.134 1.751 15.019 178 HB2 PRO 22 2HB PRO 22 0.019 3.048 17.399 179 HB3 PRO 22 3HB PRO 22 -1.433 3.058 16.391 180 HG2 PRO 22 2HG PRO 22 -0.808 1.387 18.794 181 HG3 PRO 22 3HG PRO 22 -2.318 2.212 18.367 182 HD2 PRO 22 2HD PRO 22 -1.945 -0.440 17.971 183 HD3 PRO 22 3HD PRO 22 -2.959 0.552 16.903 184 H ALA 23 H ALA 23 1.952 1.382 14.584 185 HA ALA 23 HA ALA 23 3.806 1.063 16.831 186 HB1 ALA 23 1HB ALA 23 3.616 -1.176 16.189 187 HB2 ALA 23 2HB ALA 23 3.573 -0.775 14.472 188 HB3 ALA 23 3HB ALA 23 5.077 -0.614 15.377 189 H ARG 24 H ARG 24 6.172 0.965 15.660 190 HA ARG 24 HA ARG 24 6.243 3.195 13.740 191 HB2 ARG 24 2HB ARG 24 8.204 4.100 14.889 192 HB3 ARG 24 3HB ARG 24 6.816 4.036 15.967 193 HG2 ARG 24 2HG ARG 24 8.340 3.172 17.382 194 HG3 ARG 24 3HG ARG 24 7.922 1.673 16.551 195 HD2 ARG 24 2HD ARG 24 10.210 1.604 16.419 196 HD3 ARG 24 3HD ARG 24 9.821 2.423 14.906 197 HE ARG 24 HE ARG 24 10.160 4.452 16.686 198 HH11 ARG 24 1HH1 ARG 24 12.097 1.738 15.684 199 HH12 ARG 24 2HH1 ARG 24 13.605 2.544 15.963 200 HH21 ARG 24 1HH2 ARG 24 12.139 5.524 17.057 201 HH22 ARG 24 2HH2 ARG 24 13.628 4.697 16.745 202 H VAL 25 H VAL 25 8.471 3.379 12.704 203 HA VAL 25 HA VAL 25 9.344 0.676 11.952 204 HB VAL 25 HB VAL 25 9.781 3.279 10.483 205 HG11 VAL 25 1HG1 VAL 25 10.120 1.323 8.651 206 HG12 VAL 25 2HG1 VAL 25 11.438 2.061 9.562 207 HG13 VAL 25 3HG1 VAL 25 10.749 0.527 10.094 208 HG21 VAL 25 3HG2 VAL 25 7.625 3.047 9.921 209 HG22 VAL 25 1HG2 VAL 25 8.175 1.707 8.914 210 HG23 VAL 25 2HG2 VAL 25 7.550 1.394 10.534 211 H ASP 26 H ASP 26 11.428 0.030 12.152 212 HA ASP 26 HA ASP 26 13.232 1.857 13.578 213 HB2 ASP 26 2HB ASP 26 12.567 -0.453 14.514 214 HB3 ASP 26 3HB ASP 26 13.645 -1.110 13.286 215 H GLU 27 H GLU 27 15.498 1.867 13.021 216 HA GLU 27 HA GLU 27 15.888 1.900 10.168 217 HB2 GLU 27 2HB GLU 27 16.879 3.435 12.135 218 HB3 GLU 27 3HB GLU 27 18.193 2.274 12.001 219 HG2 GLU 27 2HG GLU 27 18.564 2.831 9.723 220 HG3 GLU 27 3HG GLU 27 17.088 3.793 9.655 221 H VAL 28 H VAL 28 18.033 0.999 9.310 222 HA VAL 28 HA VAL 28 17.967 -1.798 9.468 223 HB VAL 28 HB VAL 28 20.213 -1.677 8.295 224 HG11 VAL 28 1HG1 VAL 28 19.205 -1.288 6.270 225 HG12 VAL 28 2HG1 VAL 28 17.792 -1.554 7.293 226 HG13 VAL 28 3HG1 VAL 28 18.280 0.088 6.870 227 HG21 VAL 28 3HG2 VAL 28 19.688 1.267 8.080 228 HG22 VAL 28 1HG2 VAL 28 20.690 0.610 9.375 229 HG23 VAL 28 2HG2 VAL 28 21.155 0.369 7.691 230 HA PRO 29 HA PRO 29 20.442 -2.856 12.937 231 HB2 PRO 29 2HB PRO 29 21.660 -5.115 12.051 232 HB3 PRO 29 3HB PRO 29 19.945 -5.051 12.473 233 HG2 PRO 29 2HG PRO 29 21.239 -4.911 9.777 234 HG3 PRO 29 3HG PRO 29 19.795 -5.809 10.280 235 HD2 PRO 29 2HD PRO 29 19.657 -3.450 8.958 236 HD3 PRO 29 3HD PRO 29 18.439 -3.950 10.150 237 H ASP 30 H ASP 30 22.759 -3.566 13.510 238 HA ASP 30 HA ASP 30 24.550 -1.582 12.675 239 HB2 ASP 30 2HB ASP 30 25.023 -4.206 14.097 240 HB3 ASP 30 3HB ASP 30 26.280 -2.996 13.849 241 H GLY 31 H GLY 31 23.717 -4.581 11.250 242 HA2 GLY 31 2HA GLY 31 24.438 -4.704 8.861 243 HA3 GLY 31 3HA GLY 31 26.060 -4.384 9.458 244 H ALA 32 H ALA 32 25.222 -6.176 11.844 245 HA ALA 32 HA ALA 32 25.470 -8.769 10.479 246 HB1 ALA 32 1HB ALA 32 27.196 -7.711 12.701 247 HB2 ALA 32 2HB ALA 32 27.061 -9.433 12.339 248 HB3 ALA 32 3HB ALA 32 27.692 -8.322 11.122 249 H VAL 33 H VAL 33 23.258 -7.295 11.861 250 HA VAL 33 HA VAL 33 22.766 -9.039 14.163 251 HB VAL 33 HB VAL 33 20.958 -6.808 13.274 252 HG11 VAL 33 1HG1 VAL 33 19.806 -7.482 15.048 253 HG12 VAL 33 2HG1 VAL 33 21.058 -8.651 15.471 254 HG13 VAL 33 3HG1 VAL 33 21.161 -6.994 16.065 255 HG21 VAL 33 3HG2 VAL 33 22.196 -5.315 14.801 256 HG22 VAL 33 1HG2 VAL 33 23.421 -6.568 14.998 257 HG23 VAL 33 2HG2 VAL 33 23.166 -5.825 13.420 258 H LYS 34 H LYS 34 22.639 -9.964 11.362 259 HA LYS 34 HA LYS 34 21.317 -11.203 9.981 260 HB2 LYS 34 2HB LYS 34 19.798 -11.711 12.547 261 HB3 LYS 34 3HB LYS 34 19.718 -12.692 11.089 262 HG2 LYS 34 2HG LYS 34 21.195 -13.927 12.289 263 HG3 LYS 34 3HG LYS 34 22.327 -12.844 11.475 264 HD2 LYS 34 2HD LYS 34 22.759 -11.642 13.383 265 HD3 LYS 34 3HD LYS 34 21.187 -12.007 14.098 266 HE2 LYS 34 2HE LYS 34 21.901 -14.294 14.530 267 HE3 LYS 34 3HE LYS 34 23.455 -13.970 13.764 268 HZ1 LYS 34 3HZ LYS 34 23.672 -13.838 16.140 269 HZ2 LYS 34 1HZ LYS 34 22.418 -12.707 16.244 270 HZ3 LYS 34 2HZ LYS 34 23.871 -12.290 15.486 271 HA PRO 35 HA PRO 35 18.164 -7.819 9.623 272 HB2 PRO 35 2HB PRO 35 18.762 -7.220 7.044 273 HB3 PRO 35 3HB PRO 35 19.613 -6.505 8.418 274 HG2 PRO 35 2HG PRO 35 20.432 -8.788 6.664 275 HG3 PRO 35 3HG PRO 35 21.408 -7.439 7.272 276 HD2 PRO 35 2HD PRO 35 21.471 -9.903 8.392 277 HD3 PRO 35 3HD PRO 35 21.703 -8.418 9.337 278 HA PRO 36 HA PRO 36 15.108 -10.175 7.515 279 HB2 PRO 36 2HB PRO 36 13.672 -8.271 6.217 280 HB3 PRO 36 3HB PRO 36 13.616 -8.488 7.970 281 HG2 PRO 36 2HG PRO 36 15.169 -6.501 6.356 282 HG3 PRO 36 3HG PRO 36 14.259 -6.256 7.858 283 HD2 PRO 36 2HD PRO 36 16.953 -6.527 7.813 284 HD3 PRO 36 3HD PRO 36 15.958 -7.092 9.171 285 H THR 37 H THR 37 14.058 -10.523 5.314 286 HA THR 37 HA THR 37 16.105 -10.212 3.216 287 HB THR 37 HB THR 37 15.882 -12.532 3.673 288 HG1 THR 37 HG1 THR 37 15.912 -12.470 1.519 289 HG21 THR 37 3HG2 THR 37 13.751 -13.707 3.725 290 HG22 THR 37 1HG2 THR 37 12.891 -12.202 3.400 291 HG23 THR 37 2HG2 THR 37 13.759 -12.411 4.921 292 H ASN 38 H ASN 38 12.641 -10.157 3.901 293 HA ASN 38 HA ASN 38 12.264 -8.387 1.609 294 HB2 ASN 38 2HB ASN 38 11.094 -11.097 1.912 295 HB3 ASN 38 3HB ASN 38 10.005 -9.832 1.351 296 HD21 ASN 38 1HD2 ASN 38 10.440 -8.789 -0.613 297 HD22 ASN 38 2HD2 ASN 38 11.473 -9.501 -1.802 298 H LYS 39 H LYS 39 12.226 -8.284 4.625 299 HA LYS 39 HA LYS 39 9.681 -6.852 4.840 300 HB2 LYS 39 2HB LYS 39 10.691 -8.791 6.930 301 HB3 LYS 39 3HB LYS 39 9.249 -7.791 7.059 302 HG2 LYS 39 2HG LYS 39 8.098 -9.036 5.456 303 HG3 LYS 39 3HG LYS 39 9.576 -9.776 4.838 304 HD2 LYS 39 2HD LYS 39 9.634 -11.345 6.476 305 HD3 LYS 39 3HD LYS 39 8.948 -10.259 7.688 306 HE2 LYS 39 2HE LYS 39 7.246 -11.796 7.371 307 HE3 LYS 39 3HE LYS 39 6.774 -10.480 6.297 308 HZ1 LYS 39 3HZ LYS 39 7.676 -11.683 4.436 309 HZ2 LYS 39 1HZ LYS 39 6.575 -12.674 5.254 310 HZ3 LYS 39 2HZ LYS 39 8.237 -12.920 5.445 311 H LEU 40 H LEU 40 9.678 -5.677 7.103 312 HA LEU 40 HA LEU 40 12.370 -4.612 7.624 313 HB2 LEU 40 2HB LEU 40 11.031 -2.398 8.030 314 HB3 LEU 40 3HB LEU 40 11.573 -2.851 6.415 315 HG LEU 40 HG LEU 40 8.830 -3.644 7.266 316 HD11 LEU 40 1HD1 LEU 40 8.274 -1.538 7.749 317 HD12 LEU 40 2HD1 LEU 40 8.444 -1.227 6.022 318 HD13 LEU 40 3HD1 LEU 40 9.790 -0.898 7.113 319 HD21 LEU 40 3HD2 LEU 40 9.595 -2.496 4.626 320 HD22 LEU 40 1HD2 LEU 40 8.408 -3.741 5.017 321 HD23 LEU 40 2HD2 LEU 40 10.129 -4.128 5.031 322 HA PRO 41 HA PRO 41 11.499 -5.033 11.903 323 HB2 PRO 41 2HB PRO 41 12.723 -2.850 12.956 324 HB3 PRO 41 3HB PRO 41 13.614 -4.233 12.311 325 HG2 PRO 41 2HG PRO 41 13.010 -1.601 11.020 326 HG3 PRO 41 3HG PRO 41 14.522 -2.527 11.017 327 HD2 PRO 41 2HD PRO 41 12.803 -2.538 8.925 328 HD3 PRO 41 3HD PRO 41 13.797 -3.946 9.352 329 H ILE 42 H ILE 42 9.618 -4.746 12.905 330 HA ILE 42 HA ILE 42 8.391 -2.065 12.861 331 HB ILE 42 HB ILE 42 6.875 -4.667 13.023 332 HG12 ILE 42 2HG1 ILE 42 7.971 -4.537 10.850 333 HG13 ILE 42 3HG1 ILE 42 6.244 -4.250 10.668 334 HG21 ILE 42 1HG2 ILE 42 6.172 -1.932 13.435 335 HG22 ILE 42 2HG2 ILE 42 5.322 -2.541 12.016 336 HG23 ILE 42 3HG2 ILE 42 5.159 -3.370 13.564 337 HD11 ILE 42 3HD1 ILE 42 8.416 -2.624 9.850 338 HD12 ILE 42 1HD1 ILE 42 6.688 -2.363 9.615 339 HD13 ILE 42 2HD1 ILE 42 7.485 -1.744 11.062 340 H PHE 43 H PHE 43 8.963 -1.287 14.824 341 HA PHE 43 HA PHE 43 8.968 -2.907 17.189 342 HB2 PHE 43 2HB PHE 43 10.462 -0.902 16.765 343 HB3 PHE 43 3HB PHE 43 9.050 0.108 17.062 344 HD1 PHE 43 HD2 PHE 43 10.383 -2.940 18.749 345 HD2 PHE 43 HD1 PHE 43 9.268 1.153 19.091 346 HE1 PHE 43 HE2 PHE 43 10.839 -3.021 21.166 347 HE2 PHE 43 HE1 PHE 43 9.723 1.079 21.508 348 HZ PHE 43 HZ PHE 43 10.508 -1.011 22.549 349 H PHE 44 H PHE 44 7.097 -3.617 17.989 350 HA PHE 44 HA PHE 44 4.635 -2.188 17.683 351 HB2 PHE 44 2HB PHE 44 5.477 -4.750 18.959 352 HB3 PHE 44 3HB PHE 44 3.939 -4.046 19.445 353 HD1 PHE 44 HD1 PHE 44 5.826 -5.547 16.690 354 HD2 PHE 44 HD2 PHE 44 2.075 -3.963 17.931 355 HE1 PHE 44 HE1 PHE 44 4.758 -6.525 14.700 356 HE2 PHE 44 HE2 PHE 44 1.001 -4.940 15.944 357 HZ PHE 44 HZ PHE 44 2.343 -6.223 14.326 358 H PHE 45 H PHE 45 4.027 -0.516 18.871 359 HA PHE 45 HA PHE 45 5.345 0.125 21.346 360 HB2 PHE 45 2HB PHE 45 3.376 1.450 19.556 361 HB3 PHE 45 3HB PHE 45 3.384 1.947 21.245 362 HD1 PHE 45 HD2 PHE 45 6.126 1.963 22.022 363 HD2 PHE 45 HD1 PHE 45 4.410 3.050 18.282 364 HE1 PHE 45 HE2 PHE 45 8.041 3.443 21.578 365 HE2 PHE 45 HE1 PHE 45 6.323 4.531 17.831 366 HZ PHE 45 HZ PHE 45 8.141 4.730 19.481 367 H GLY 46 H GLY 46 4.456 0.181 23.403 368 HA2 GLY 46 2HA GLY 46 2.779 -0.124 25.024 369 HA3 GLY 46 3HA GLY 46 1.734 -0.801 23.783 370 H THR 47 H THR 47 3.613 -2.705 22.770 371 HA THR 47 HA THR 47 3.639 -4.593 25.032 372 HB THR 47 HB THR 47 3.414 -6.402 23.434 373 HG1 THR 47 HG1 THR 47 2.899 -5.539 21.157 374 HG21 THR 47 3HG2 THR 47 1.351 -4.496 22.449 375 HG22 THR 47 1HG2 THR 47 1.416 -4.829 24.179 376 HG23 THR 47 2HG2 THR 47 1.173 -6.149 23.036 377 H HIS 48 H HIS 48 5.640 -2.733 23.184 378 HA HIS 48 HA HIS 48 7.860 -2.751 22.663 379 HB2 HIS 48 2HB HIS 48 7.698 -4.261 25.247 380 HB3 HIS 48 3HB HIS 48 9.249 -4.097 24.430 381 HD1 HIS 48 HD1 HIS 48 7.149 -1.155 23.967 382 HD2 HIS 48 HD2 HIS 48 9.871 -2.508 26.799 383 HE1 HIS 48 HE1 HIS 48 7.780 0.872 25.315 384 H GLU 49 H GLU 49 6.266 -4.705 21.304 385 HA GLU 49 HA GLU 49 8.021 -7.038 21.112 386 HB2 GLU 49 2HB GLU 49 5.298 -6.469 19.934 387 HB3 GLU 49 3HB GLU 49 6.218 -7.933 19.617 388 HG2 GLU 49 2HG GLU 49 4.982 -7.022 22.188 389 HG3 GLU 49 3HG GLU 49 4.698 -8.513 21.292 390 H THR 50 H THR 50 8.154 -7.886 18.723 391 HA THR 50 HA THR 50 8.526 -5.755 16.782 392 HB THR 50 HB THR 50 10.685 -5.627 17.722 393 HG1 THR 50 HG1 THR 50 11.956 -6.347 16.010 394 HG21 THR 50 3HG2 THR 50 11.893 -8.102 17.637 395 HG22 THR 50 1HG2 THR 50 10.275 -8.470 18.234 396 HG23 THR 50 2HG2 THR 50 11.286 -7.302 19.086 397 H ALA 51 H ALA 51 7.831 -6.445 14.871 398 HA ALA 51 HA ALA 51 8.144 -9.281 14.174 399 HB1 ALA 51 1HB ALA 51 5.657 -8.107 13.190 400 HB2 ALA 51 2HB ALA 51 5.956 -9.679 13.932 401 HB3 ALA 51 3HB ALA 51 5.730 -8.254 14.946 402 H PHE 52 H PHE 52 8.821 -9.632 12.141 403 HA PHE 52 HA PHE 52 9.451 -7.343 10.495 404 HB2 PHE 52 2HB PHE 52 10.027 -10.292 10.281 405 HB3 PHE 52 3HB PHE 52 10.404 -9.180 8.970 406 HD1 PHE 52 HD2 PHE 52 11.517 -6.872 10.131 407 HD2 PHE 52 HD1 PHE 52 11.912 -10.910 11.419 408 HE1 PHE 52 HE2 PHE 52 13.652 -6.313 11.218 409 HE2 PHE 52 HE1 PHE 52 14.047 -10.357 12.509 410 HZ PHE 52 HZ PHE 52 14.921 -8.057 12.409 411 H LEU 53 H LEU 53 8.112 -6.529 9.038 412 HA LEU 53 HA LEU 53 6.451 -8.315 7.438 413 HB2 LEU 53 2HB LEU 53 5.247 -5.873 8.706 414 HB3 LEU 53 3HB LEU 53 4.427 -7.173 7.844 415 HG LEU 53 HG LEU 53 5.817 -7.613 10.475 416 HD11 LEU 53 1HD1 LEU 53 2.904 -6.965 10.057 417 HD12 LEU 53 2HD1 LEU 53 4.100 -5.848 10.711 418 HD13 LEU 53 3HD1 LEU 53 3.703 -7.326 11.588 419 HD21 LEU 53 3HD2 LEU 53 4.890 -9.400 8.663 420 HD22 LEU 53 1HD2 LEU 53 3.460 -9.172 9.669 421 HD23 LEU 53 2HD2 LEU 53 4.976 -9.697 10.400 422 H GLY 54 H GLY 54 6.599 -7.779 5.361 423 HA2 GLY 54 2HA GLY 54 8.136 -5.671 4.397 424 HA3 GLY 54 3HA GLY 54 6.954 -6.561 3.449 425 HA PRO 55 HA PRO 55 5.653 -2.078 3.972 426 HB2 PRO 55 2HB PRO 55 5.613 -1.472 1.326 427 HB3 PRO 55 3HB PRO 55 7.054 -1.288 2.331 428 HG2 PRO 55 2HG PRO 55 6.324 -3.504 0.457 429 HG3 PRO 55 3HG PRO 55 7.888 -2.700 0.683 430 HD2 PRO 55 2HD PRO 55 7.318 -5.111 1.776 431 HD3 PRO 55 3HD PRO 55 8.395 -3.938 2.560 432 H LYS 56 H LYS 56 4.722 -4.600 1.677 433 HA LYS 56 HA LYS 56 2.129 -3.563 1.142 434 HB2 LYS 56 2HB LYS 56 3.555 -6.130 0.627 435 HB3 LYS 56 3HB LYS 56 1.800 -6.123 0.503 436 HG2 LYS 56 2HG LYS 56 2.469 -5.690 -1.663 437 HG3 LYS 56 3HG LYS 56 2.148 -4.074 -1.030 438 HD2 LYS 56 2HD LYS 56 4.214 -3.982 -2.220 439 HD3 LYS 56 3HD LYS 56 4.591 -3.894 -0.498 440 HE2 LYS 56 2HE LYS 56 5.375 -6.101 -0.443 441 HE3 LYS 56 3HE LYS 56 4.599 -6.508 -1.973 442 HZ1 LYS 56 3HZ LYS 56 7.097 -5.048 -1.488 443 HZ2 LYS 56 1HZ LYS 56 6.197 -4.674 -2.872 444 HZ3 LYS 56 2HZ LYS 56 6.757 -6.251 -2.628 445 H ASP 57 H ASP 57 3.443 -5.022 3.863 446 HA ASP 57 HA ASP 57 0.893 -6.156 4.746 447 HB2 ASP 57 2HB ASP 57 3.734 -6.507 5.530 448 HB3 ASP 57 3HB ASP 57 2.537 -6.655 6.814 449 H ILE 58 H ILE 58 3.164 -3.579 5.457 450 HA ILE 58 HA ILE 58 1.627 -2.711 7.770 451 HB ILE 58 HB ILE 58 3.333 -0.901 7.925 452 HG12 ILE 58 2HG1 ILE 58 4.728 -2.403 5.703 453 HG13 ILE 58 3HG1 ILE 58 3.854 -0.894 5.466 454 HG21 ILE 58 1HG2 ILE 58 3.786 -3.768 8.195 455 HG22 ILE 58 2HG2 ILE 58 5.276 -2.835 8.060 456 HG23 ILE 58 3HG2 ILE 58 4.111 -2.457 9.329 457 HD11 ILE 58 3HD1 ILE 58 6.368 -0.749 5.718 458 HD12 ILE 58 1HD1 ILE 58 5.403 0.323 6.732 459 HD13 ILE 58 2HD1 ILE 58 6.114 -1.137 7.419 460 H PHE 59 H PHE 59 0.358 -0.917 7.866 461 HA PHE 59 HA PHE 59 -0.031 0.570 5.352 462 HB2 PHE 59 2HB PHE 59 -1.977 -0.716 7.172 463 HB3 PHE 59 3HB PHE 59 -2.419 0.884 6.584 464 HD1 PHE 59 HD2 PHE 59 -1.196 -2.412 5.359 465 HD2 PHE 59 HD1 PHE 59 -3.483 1.085 4.550 466 HE1 PHE 59 HE2 PHE 59 -1.964 -3.408 3.244 467 HE2 PHE 59 HE1 PHE 59 -4.255 0.095 2.434 468 HZ PHE 59 HZ PHE 59 -3.495 -2.154 1.778 469 HA PRO 60 HA PRO 60 0.603 4.344 7.493 470 HB2 PRO 60 2HB PRO 60 -1.265 5.977 6.389 471 HB3 PRO 60 3HB PRO 60 0.173 5.434 5.517 472 HG2 PRO 60 2HG PRO 60 -2.626 4.382 5.393 473 HG3 PRO 60 3HG PRO 60 -1.485 4.685 4.070 474 HD2 PRO 60 2HD PRO 60 -1.926 2.210 5.076 475 HD3 PRO 60 3HD PRO 60 -0.351 2.711 4.429 476 H TYR 61 H TYR 61 0.096 5.015 9.479 477 HA TYR 61 HA TYR 61 -2.223 4.132 10.829 478 HB2 TYR 61 2HB TYR 61 -1.242 4.969 12.708 479 HB3 TYR 61 3HB TYR 61 0.176 4.992 11.666 480 HD1 TYR 61 HD2 TYR 61 0.632 7.196 10.383 481 HD2 TYR 61 HD1 TYR 61 -1.940 6.924 13.761 482 HE1 TYR 61 HE2 TYR 61 0.868 9.616 10.750 483 HE2 TYR 61 HE1 TYR 61 -1.712 9.344 14.137 484 HH TYR 61 HH TYR 61 -0.562 11.453 11.887 485 H SER 62 H SER 62 -1.717 6.724 8.720 486 HA SER 62 HA SER 62 -3.519 8.621 9.819 487 HB2 SER 62 2HB SER 62 -3.080 9.890 7.950 488 HB3 SER 62 3HB SER 62 -1.687 8.809 7.897 489 HG SER 62 HG SER 62 -4.068 8.691 6.379 490 H GLU 63 H GLU 63 -3.968 5.670 8.167 491 HA GLU 63 HA GLU 63 -6.659 6.355 7.275 492 HB2 GLU 63 2HB GLU 63 -4.771 4.766 6.153 493 HB3 GLU 63 3HB GLU 63 -5.709 3.568 7.035 494 HG2 GLU 63 2HG GLU 63 -6.739 3.578 4.982 495 HG3 GLU 63 3HG GLU 63 -7.748 4.689 5.906 496 H ASN 64 H ASN 64 -5.011 4.543 9.756 497 HA ASN 64 HA ASN 64 -7.457 3.281 10.681 498 HB2 ASN 64 2HB ASN 64 -4.642 3.231 11.791 499 HB3 ASN 64 3HB ASN 64 -5.991 2.300 12.433 500 HD21 ASN 64 1HD2 ASN 64 -6.511 0.409 11.514 501 HD22 ASN 64 2HD2 ASN 64 -5.736 -0.250 10.117 502 H LYS 65 H LYS 65 -5.216 5.812 11.703 503 HA LYS 65 HA LYS 65 -6.258 6.342 14.230 504 HB2 LYS 65 2HB LYS 65 -5.128 8.429 14.127 505 HB3 LYS 65 3HB LYS 65 -4.151 7.292 13.206 506 HG2 LYS 65 2HG LYS 65 -5.024 8.180 11.129 507 HG3 LYS 65 3HG LYS 65 -6.086 9.272 12.019 508 HD2 LYS 65 2HD LYS 65 -3.812 10.032 13.120 509 HD3 LYS 65 3HD LYS 65 -3.135 9.383 11.625 510 HE2 LYS 65 2HE LYS 65 -3.530 11.688 11.244 511 HE3 LYS 65 3HE LYS 65 -4.797 10.813 10.386 512 HZ1 LYS 65 3HZ LYS 65 -5.477 12.823 11.761 513 HZ2 LYS 65 1HZ LYS 65 -5.222 11.849 13.120 514 HZ3 LYS 65 2HZ LYS 65 -6.379 11.408 11.969 515 H GLU 66 H GLU 66 -7.541 7.026 11.099 516 HA GLU 66 HA GLU 66 -9.422 9.008 12.079 517 HB2 GLU 66 2HB GLU 66 -10.192 9.146 9.781 518 HB3 GLU 66 3HB GLU 66 -8.437 9.236 9.830 519 HG2 GLU 66 2HG GLU 66 -8.173 7.122 8.923 520 HG3 GLU 66 3HG GLU 66 -9.806 6.622 9.359 521 H LYS 67 H LYS 67 -9.255 5.620 11.687 522 HA LYS 67 HA LYS 67 -12.058 5.132 11.364 523 HB2 LYS 67 2HB LYS 67 -9.619 3.500 11.775 524 HB3 LYS 67 3HB LYS 67 -11.131 2.786 12.321 525 HG2 LYS 67 2HG LYS 67 -11.977 3.470 9.949 526 HG3 LYS 67 3HG LYS 67 -10.255 3.492 9.562 527 HD2 LYS 67 2HD LYS 67 -11.722 1.159 10.792 528 HD3 LYS 67 3HD LYS 67 -11.329 1.316 9.078 529 HE2 LYS 67 2HE LYS 67 -8.962 1.335 9.593 530 HE3 LYS 67 3HE LYS 67 -9.311 1.294 11.321 531 HZ1 LYS 67 3HZ LYS 67 -10.635 -0.850 10.106 532 HZ2 LYS 67 1HZ LYS 67 -9.364 -0.901 11.221 533 HZ3 LYS 67 2HZ LYS 67 -9.033 -0.862 9.562 534 H TYR 68 H TYR 68 -9.847 4.473 14.090 535 HA TYR 68 HA TYR 68 -12.067 5.084 15.920 536 HB2 TYR 68 2HB TYR 68 -10.185 3.018 16.850 537 HB3 TYR 68 3HB TYR 68 -11.936 3.103 17.008 538 HD1 TYR 68 HD2 TYR 68 -13.388 2.189 15.271 539 HD2 TYR 68 HD1 TYR 68 -9.154 1.919 14.956 540 HE1 TYR 68 HE2 TYR 68 -13.634 0.494 13.506 541 HE2 TYR 68 HE1 TYR 68 -9.387 0.224 13.190 542 HH TYR 68 HH TYR 68 -11.700 -1.564 12.650 543 H GLY 69 H GLY 69 -8.694 5.211 15.167 544 HA2 GLY 69 2HA GLY 69 -7.071 6.637 15.986 545 HA3 GLY 69 3HA GLY 69 -8.276 7.318 17.069 546 H LYS 70 H LYS 70 -8.783 4.403 17.941 547 HA LYS 70 HA LYS 70 -6.355 3.785 19.396 548 HB2 LYS 70 2HB LYS 70 -7.733 3.749 21.581 549 HB3 LYS 70 3HB LYS 70 -7.135 5.295 20.994 550 HG2 LYS 70 2HG LYS 70 -9.224 6.038 20.408 551 HG3 LYS 70 3HG LYS 70 -9.863 4.406 20.196 552 HD2 LYS 70 2HD LYS 70 -9.675 4.106 22.676 553 HD3 LYS 70 3HD LYS 70 -9.263 5.819 22.792 554 HE2 LYS 70 2HE LYS 70 -11.388 6.468 21.940 555 HE3 LYS 70 3HE LYS 70 -11.782 4.811 21.486 556 HZ1 LYS 70 3HZ LYS 70 -12.942 5.243 23.466 557 HZ2 LYS 70 1HZ LYS 70 -11.599 5.955 24.211 558 HZ3 LYS 70 2HZ LYS 70 -11.625 4.287 23.929 559 HA PRO 71 HA PRO 71 -7.848 -0.332 19.100 560 HB2 PRO 71 2HB PRO 71 -6.844 -1.453 21.360 561 HB3 PRO 71 3HB PRO 71 -5.836 -1.011 19.977 562 HG2 PRO 71 2HG PRO 71 -6.299 0.474 22.534 563 HG3 PRO 71 3HG PRO 71 -4.784 0.210 21.653 564 HD2 PRO 71 2HD PRO 71 -6.170 2.532 21.505 565 HD3 PRO 71 3HD PRO 71 -5.220 1.898 20.145 566 H ASN 72 H ASN 72 -9.532 -1.641 19.717 567 HA ASN 72 HA ASN 72 -11.281 -0.565 21.803 568 HB2 ASN 72 2HB ASN 72 -12.098 -1.013 19.429 569 HB3 ASN 72 3HB ASN 72 -11.968 -2.727 19.812 570 HD21 ASN 72 1HD2 ASN 72 -14.348 -2.181 19.135 571 HD22 ASN 72 2HD2 ASN 72 -15.428 -1.952 20.464 572 H LYS 73 H LYS 73 -10.284 -3.788 20.636 573 HA LYS 73 HA LYS 73 -10.353 -4.709 23.436 574 HB2 LYS 73 2HB LYS 73 -11.352 -6.003 20.929 575 HB3 LYS 73 3HB LYS 73 -10.775 -7.015 22.246 576 HG2 LYS 73 2HG LYS 73 -12.402 -6.002 23.751 577 HG3 LYS 73 3HG LYS 73 -12.972 -4.964 22.442 578 HD2 LYS 73 2HD LYS 73 -12.963 -7.952 22.170 579 HD3 LYS 73 3HD LYS 73 -14.296 -7.108 22.962 580 HE2 LYS 73 2HE LYS 73 -14.840 -5.923 20.994 581 HE3 LYS 73 3HE LYS 73 -13.322 -6.366 20.216 582 HZ1 LYS 73 3HZ LYS 73 -15.192 -7.647 19.360 583 HZ2 LYS 73 1HZ LYS 73 -15.507 -8.254 20.907 584 HZ3 LYS 73 2HZ LYS 73 -14.064 -8.652 20.121 585 H ARG 74 H ARG 74 -8.096 -3.598 22.021 586 HA ARG 74 HA ARG 74 -6.387 -5.953 21.625 587 HB2 ARG 74 2HB ARG 74 -5.743 -3.072 20.986 588 HB3 ARG 74 3HB ARG 74 -4.849 -4.499 20.479 589 HG2 ARG 74 2HG ARG 74 -7.637 -3.762 19.615 590 HG3 ARG 74 3HG ARG 74 -6.167 -3.590 18.653 591 HD2 ARG 74 2HD ARG 74 -6.742 -5.611 17.851 592 HD3 ARG 74 3HD ARG 74 -6.019 -6.202 19.347 593 HE ARG 74 HE ARG 74 -8.837 -5.561 19.500 594 HH11 ARG 74 1HH1 ARG 74 -6.429 -8.011 18.936 595 HH12 ARG 74 2HH1 ARG 74 -7.494 -9.327 19.301 596 HH21 ARG 74 1HH2 ARG 74 -10.249 -7.286 19.984 597 HH22 ARG 74 2HH2 ARG 74 -9.667 -8.914 19.897 598 H LYS 75 H LYS 75 -5.112 -6.563 23.232 599 HA LYS 75 HA LYS 75 -4.879 -5.206 25.668 600 HB2 LYS 75 2HB LYS 75 -3.163 -6.844 26.231 601 HB3 LYS 75 3HB LYS 75 -4.514 -7.625 25.421 602 HG2 LYS 75 2HG LYS 75 -3.299 -7.925 23.440 603 HG3 LYS 75 3HG LYS 75 -2.056 -6.772 23.930 604 HD2 LYS 75 2HD LYS 75 -1.171 -8.263 25.536 605 HD3 LYS 75 3HD LYS 75 -2.577 -9.325 25.434 606 HE2 LYS 75 2HE LYS 75 -0.811 -10.386 24.248 607 HE3 LYS 75 3HE LYS 75 -1.945 -9.769 23.047 608 HZ1 LYS 75 3HZ LYS 75 -0.156 -8.852 22.118 609 HZ2 LYS 75 1HZ LYS 75 0.804 -9.071 23.494 610 HZ3 LYS 75 2HZ LYS 75 -0.204 -7.718 23.373 611 H GLY 76 H GLY 76 -3.311 -3.908 26.562 612 HA2 GLY 76 2HA GLY 76 -1.225 -2.797 26.623 613 HA3 GLY 76 3HA GLY 76 -0.998 -3.179 24.923 614 H PHE 77 H PHE 77 -4.102 -2.019 25.577 615 HA PHE 77 HA PHE 77 -3.760 0.285 23.990 616 HB2 PHE 77 2HB PHE 77 -6.059 0.860 24.688 617 HB3 PHE 77 3HB PHE 77 -5.923 -0.822 24.186 618 HD1 PHE 77 HD1 PHE 77 -6.314 1.433 27.059 619 HD2 PHE 77 HD2 PHE 77 -6.289 -2.608 25.722 620 HE1 PHE 77 HE1 PHE 77 -7.291 0.721 29.202 621 HE2 PHE 77 HE2 PHE 77 -7.267 -3.326 27.862 622 HZ PHE 77 HZ PHE 77 -7.771 -1.660 29.605 623 H ASN 78 H ASN 78 -3.811 2.488 24.543 624 HA ASN 78 HA ASN 78 -3.274 4.346 25.741 625 HB2 ASN 78 2HB ASN 78 -4.883 2.762 27.492 626 HB3 ASN 78 3HB ASN 78 -3.601 3.509 28.441 627 HD21 ASN 78 1HD2 ASN 78 -3.232 5.896 27.301 628 HD22 ASN 78 2HD2 ASN 78 -4.671 6.849 27.381 629 H GLU 79 H GLU 79 -1.348 2.100 25.274 630 HA GLU 79 HA GLU 79 0.597 2.796 27.376 631 HB2 GLU 79 2HB GLU 79 0.557 0.268 25.721 632 HB3 GLU 79 3HB GLU 79 1.644 0.638 27.053 633 HG2 GLU 79 2HG GLU 79 -1.293 0.042 27.163 634 HG3 GLU 79 3HG GLU 79 0.034 -0.843 27.911 635 H GLY 80 H GLY 80 0.531 4.623 25.511 636 HA2 GLY 80 2HA GLY 80 2.562 5.541 24.477 637 HA3 GLY 80 3HA GLY 80 2.798 3.966 23.733 638 H LEU 81 H LEU 81 -0.400 4.334 23.561 639 HA LEU 81 HA LEU 81 -0.527 4.690 20.815 640 HB2 LEU 81 2HB LEU 81 -2.359 3.717 21.996 641 HB3 LEU 81 3HB LEU 81 -2.591 5.180 22.950 642 HG LEU 81 HG LEU 81 -2.995 6.166 20.474 643 HD11 LEU 81 1HD1 LEU 81 -4.497 4.494 19.338 644 HD12 LEU 81 2HD1 LEU 81 -3.799 3.269 20.396 645 HD13 LEU 81 3HD1 LEU 81 -2.770 4.145 19.264 646 HD21 LEU 81 3HD2 LEU 81 -4.431 6.250 22.558 647 HD22 LEU 81 1HD2 LEU 81 -5.173 4.754 21.992 648 HD23 LEU 81 2HD2 LEU 81 -5.291 6.219 21.018 649 H TRP 82 H TRP 82 -0.690 7.070 23.402 650 HA TRP 82 HA TRP 82 -1.287 9.244 21.603 651 HB2 TRP 82 2HB TRP 82 -2.165 9.427 23.822 652 HB3 TRP 82 3HB TRP 82 -0.581 9.141 24.537 653 HD1 TRP 82 HD1 TRP 82 -2.670 11.875 22.879 654 HE1 TRP 82 HE1 TRP 82 -1.536 14.148 23.294 655 HE3 TRP 82 HE3 TRP 82 1.699 10.233 24.965 656 HZ2 TRP 82 HZ2 TRP 82 0.890 15.117 24.363 657 HZ3 TRP 82 HZ3 TRP 82 3.374 11.897 25.656 658 HH2 TRP 82 HH2 TRP 82 2.977 14.288 25.360 659 H GLU 83 H GLU 83 1.506 7.596 22.612 660 HA GLU 83 HA GLU 83 3.324 9.815 22.293 661 HB2 GLU 83 2HB GLU 83 3.651 6.877 22.819 662 HB3 GLU 83 3HB GLU 83 5.037 7.862 22.373 663 HG2 GLU 83 2HG GLU 83 4.716 9.271 24.297 664 HG3 GLU 83 3HG GLU 83 3.231 8.418 24.714 665 H ILE 84 H ILE 84 1.881 7.428 20.285 666 HA ILE 84 HA ILE 84 3.801 7.192 18.259 667 HB ILE 84 HB ILE 84 1.673 5.827 18.543 668 HG12 ILE 84 2HG1 ILE 84 2.351 6.913 15.801 669 HG13 ILE 84 3HG1 ILE 84 3.166 5.582 16.614 670 HG21 ILE 84 1HG2 ILE 84 0.344 7.805 16.755 671 HG22 ILE 84 2HG2 ILE 84 -0.366 6.595 17.823 672 HG23 ILE 84 3HG2 ILE 84 0.320 8.073 18.498 673 HD11 ILE 84 3HD1 ILE 84 0.381 5.022 16.524 674 HD12 ILE 84 1HD1 ILE 84 0.924 5.487 14.912 675 HD13 ILE 84 2HD1 ILE 84 1.714 4.157 15.760 676 H ASP 85 H ASP 85 1.598 9.748 19.037 677 HA ASP 85 HA ASP 85 2.363 11.156 16.564 678 HB2 ASP 85 2HB ASP 85 -0.182 11.006 18.071 679 HB3 ASP 85 3HB ASP 85 0.251 12.593 17.441 680 H ASN 86 H ASN 86 3.291 10.943 19.616 681 HA ASN 86 HA ASN 86 3.908 13.813 19.801 682 HB2 ASN 86 2HB ASN 86 2.909 11.970 21.959 683 HB3 ASN 86 3HB ASN 86 3.848 13.407 22.354 684 HD21 ASN 86 1HD2 ASN 86 0.917 12.256 20.804 685 HD22 ASN 86 2HD2 ASN 86 0.022 13.722 20.988 686 H ASN 87 H ASN 87 4.774 10.875 21.624 687 HA ASN 87 HA ASN 87 7.605 11.551 21.173 688 HB2 ASN 87 2HB ASN 87 6.826 11.651 23.543 689 HB3 ASN 87 3HB ASN 87 6.439 9.935 23.449 690 HD21 ASN 87 1HD2 ASN 87 8.159 10.835 25.344 691 HD22 ASN 87 2HD2 ASN 87 9.764 10.306 24.988 692 HA PRO 88 HA PRO 88 6.797 7.571 18.931 693 HB2 PRO 88 2HB PRO 88 8.246 8.248 16.737 694 HB3 PRO 88 3HB PRO 88 6.542 8.676 16.932 695 HG2 PRO 88 2HG PRO 88 8.980 10.350 17.396 696 HG3 PRO 88 3HG PRO 88 7.455 10.789 16.605 697 HD2 PRO 88 2HD PRO 88 8.020 11.477 19.162 698 HD3 PRO 88 3HD PRO 88 6.368 11.133 18.608 699 H LYS 89 H LYS 89 9.451 9.253 20.194 700 HA LYS 89 HA LYS 89 11.259 6.989 19.665 701 HB2 LYS 89 2HB LYS 89 11.823 9.888 20.273 702 HB3 LYS 89 3HB LYS 89 13.064 8.645 20.365 703 HG2 LYS 89 2HG LYS 89 12.341 8.095 17.938 704 HG3 LYS 89 3HG LYS 89 11.630 9.710 17.972 705 HD2 LYS 89 2HD LYS 89 14.495 9.166 18.720 706 HD3 LYS 89 3HD LYS 89 13.990 9.549 17.072 707 HE2 LYS 89 2HE LYS 89 13.142 11.685 17.773 708 HE3 LYS 89 3HE LYS 89 13.427 11.292 19.467 709 HZ1 LYS 89 3HZ LYS 89 15.163 12.720 18.644 710 HZ2 LYS 89 1HZ LYS 89 15.506 11.652 17.378 711 HZ3 LYS 89 2HZ LYS 89 15.811 11.194 18.977 712 H VAL 90 H VAL 90 9.159 7.205 21.751 713 HA VAL 90 HA VAL 90 10.219 7.736 24.278 714 HB VAL 90 HB VAL 90 7.812 7.347 23.825 715 HG11 VAL 90 1HG1 VAL 90 7.909 4.464 24.130 716 HG12 VAL 90 2HG1 VAL 90 7.015 5.448 22.970 717 HG13 VAL 90 3HG1 VAL 90 8.691 5.004 22.645 718 HG21 VAL 90 3HG2 VAL 90 9.216 6.838 26.098 719 HG22 VAL 90 1HG2 VAL 90 7.456 6.849 25.986 720 HG23 VAL 90 2HG2 VAL 90 8.336 5.324 25.885 721 H LYS 91 H LYS 91 10.752 5.087 22.134 722 HA LYS 91 HA LYS 91 11.447 3.021 23.826 723 HB2 LYS 91 2HB LYS 91 12.930 2.235 22.011 724 HB3 LYS 91 3HB LYS 91 11.350 2.729 21.420 725 HG2 LYS 91 2HG LYS 91 12.617 3.761 19.863 726 HG3 LYS 91 3HG LYS 91 12.644 5.034 21.087 727 HD2 LYS 91 2HD LYS 91 14.740 3.535 21.896 728 HD3 LYS 91 3HD LYS 91 14.797 3.246 20.155 729 HE2 LYS 91 2HE LYS 91 14.470 6.038 21.145 730 HE3 LYS 91 3HE LYS 91 16.061 5.283 21.242 731 HZ1 LYS 91 3HZ LYS 91 15.001 6.532 19.060 732 HZ2 LYS 91 1HZ LYS 91 14.828 4.889 18.694 733 HZ3 LYS 91 2HZ LYS 91 16.354 5.516 19.065 734 H PHE 92 H PHE 92 13.193 5.947 23.091 735 HA PHE 92 HA PHE 92 15.761 5.255 23.897 736 HB2 PHE 92 2HB PHE 92 15.320 7.380 22.827 737 HB3 PHE 92 3HB PHE 92 14.302 7.889 24.170 738 HD1 PHE 92 HD1 PHE 92 17.673 6.307 24.097 739 HD2 PHE 92 HD2 PHE 92 15.324 9.687 25.180 740 HE1 PHE 92 HE1 PHE 92 19.632 7.313 25.195 741 HE2 PHE 92 HE2 PHE 92 17.279 10.699 26.278 742 HZ PHE 92 HZ PHE 92 19.437 9.512 26.286 743 H SER 93 H SER 93 16.041 4.070 25.707 744 HA SER 93 HA SER 93 14.619 4.650 28.144 745 HB2 SER 93 2HB SER 93 16.791 2.675 27.437 746 HB3 SER 93 3HB SER 93 16.155 2.840 29.073 747 HG SER 93 HG SER 93 15.044 1.650 26.873 Start of MODEL 16 1 H MET 1 H MET 1 1.999 -0.043 1.324 2 HA MET 1 HA MET 1 1.701 0.084 -1.509 3 HB2 MET 1 2HB MET 1 3.248 2.283 -0.131 4 HB3 MET 1 3HB MET 1 3.389 1.912 -1.844 5 HG2 MET 1 2HG MET 1 0.694 2.452 -0.711 6 HG3 MET 1 3HG MET 1 1.793 3.801 -0.987 7 HE1 MET 1 3HE MET 1 -1.252 2.588 -2.672 8 HE2 MET 1 1HE MET 1 -0.661 4.181 -2.197 9 HE3 MET 1 2HE MET 1 -0.887 3.797 -3.904 10 H THR 2 H THR 2 4.081 0.088 -2.510 11 HA THR 2 HA THR 2 5.468 -2.065 -1.106 12 HB THR 2 HB THR 2 6.333 -1.118 -3.802 13 HG1 THR 2 HG1 THR 2 4.104 -2.850 -3.458 14 HG21 THR 2 3HG2 THR 2 6.553 -3.506 -2.134 15 HG22 THR 2 1HG2 THR 2 7.583 -2.949 -3.452 16 HG23 THR 2 2HG2 THR 2 6.113 -3.859 -3.804 17 H ARG 3 H ARG 3 5.852 1.266 -1.975 18 HA ARG 3 HA ARG 3 8.593 1.595 -1.968 19 HB2 ARG 3 2HB ARG 3 6.527 3.460 -0.784 20 HB3 ARG 3 3HB ARG 3 8.171 3.903 -1.226 21 HG2 ARG 3 2HG ARG 3 6.133 2.855 -3.176 22 HG3 ARG 3 3HG ARG 3 6.433 4.569 -2.879 23 HD2 ARG 3 2HD ARG 3 8.520 2.593 -3.792 24 HD3 ARG 3 3HD ARG 3 7.629 3.675 -4.862 25 HE ARG 3 HE ARG 3 8.871 5.156 -2.806 26 HH11 ARG 3 1HH1 ARG 3 9.605 3.393 -5.716 27 HH12 ARG 3 2HH1 ARG 3 11.022 4.322 -6.077 28 HH21 ARG 3 1HH2 ARG 3 10.735 6.387 -3.270 29 HH22 ARG 3 2HH2 ARG 3 11.664 6.024 -4.685 30 H ASP 4 H ASP 4 10.109 2.171 -0.362 31 HA ASP 4 HA ASP 4 9.744 0.765 2.119 32 HB2 ASP 4 2HB ASP 4 11.908 1.001 0.698 33 HB3 ASP 4 3HB ASP 4 12.085 2.549 1.521 34 H PHE 5 H PHE 5 9.960 1.675 4.223 35 HA PHE 5 HA PHE 5 8.870 4.389 4.379 36 HB2 PHE 5 2HB PHE 5 8.751 1.978 6.123 37 HB3 PHE 5 3HB PHE 5 8.680 3.553 6.907 38 HD1 PHE 5 HD1 PHE 5 6.842 5.117 6.367 39 HD2 PHE 5 HD2 PHE 5 6.916 1.124 4.894 40 HE1 PHE 5 HE1 PHE 5 4.442 5.268 5.847 41 HE2 PHE 5 HE2 PHE 5 4.517 1.269 4.371 42 HZ PHE 5 HZ PHE 5 3.276 3.343 4.846 43 H LYS 6 H LYS 6 9.564 5.487 6.579 44 HA LYS 6 HA LYS 6 12.503 5.551 6.545 45 HB2 LYS 6 2HB LYS 6 10.395 7.605 6.927 46 HB3 LYS 6 3HB LYS 6 11.863 7.797 7.877 47 HG2 LYS 6 2HG LYS 6 13.209 7.867 5.895 48 HG3 LYS 6 3HG LYS 6 11.816 7.474 4.884 49 HD2 LYS 6 2HD LYS 6 10.817 9.636 6.020 50 HD3 LYS 6 3HD LYS 6 12.523 10.028 6.246 51 HE2 LYS 6 2HE LYS 6 11.744 10.995 4.178 52 HE3 LYS 6 3HE LYS 6 12.882 9.696 3.824 53 HZ1 LYS 6 3HZ LYS 6 10.253 8.671 3.936 54 HZ2 LYS 6 1HZ LYS 6 11.340 8.666 2.640 55 HZ3 LYS 6 2HZ LYS 6 10.299 9.980 2.866 56 HA PRO 7 HA PRO 7 12.866 4.194 10.702 57 HB2 PRO 7 2HB PRO 7 14.843 5.783 11.669 58 HB3 PRO 7 3HB PRO 7 15.136 4.488 10.502 59 HG2 PRO 7 2HG PRO 7 14.846 7.430 10.033 60 HG3 PRO 7 3HG PRO 7 16.013 6.294 9.330 61 HD2 PRO 7 2HD PRO 7 13.808 7.127 7.998 62 HD3 PRO 7 3HD PRO 7 14.504 5.509 7.776 63 H GLY 8 H GLY 8 11.322 4.548 12.172 64 HA2 GLY 8 2HA GLY 8 10.439 5.627 14.059 65 HA3 GLY 8 3HA GLY 8 11.276 7.097 13.582 66 H ASP 9 H ASP 9 9.236 5.225 11.430 67 HA ASP 9 HA ASP 9 7.493 7.556 11.146 68 HB2 ASP 9 2HB ASP 9 8.234 5.254 9.425 69 HB3 ASP 9 3HB ASP 9 6.600 5.885 9.240 70 H LEU 10 H LEU 10 5.296 7.503 11.474 71 HA LEU 10 HA LEU 10 4.349 5.448 13.272 72 HB2 LEU 10 2HB LEU 10 2.968 7.887 12.162 73 HB3 LEU 10 3HB LEU 10 2.329 6.838 13.426 74 HG LEU 10 HG LEU 10 3.147 8.687 14.581 75 HD11 LEU 10 1HD1 LEU 10 4.633 7.750 16.030 76 HD12 LEU 10 2HD1 LEU 10 5.651 7.102 14.746 77 HD13 LEU 10 3HD1 LEU 10 4.134 6.302 15.155 78 HD21 LEU 10 3HD2 LEU 10 5.850 8.673 13.358 79 HD22 LEU 10 1HD2 LEU 10 4.896 10.016 13.989 80 HD23 LEU 10 2HD2 LEU 10 4.521 9.336 12.405 81 H ILE 11 H ILE 11 3.609 3.596 12.477 82 HA ILE 11 HA ILE 11 1.564 3.650 10.414 83 HB ILE 11 HB ILE 11 2.648 1.888 9.072 84 HG12 ILE 11 2HG1 ILE 11 5.286 1.923 9.498 85 HG13 ILE 11 3HG1 ILE 11 4.756 2.237 11.146 86 HG21 ILE 11 1HG2 ILE 11 2.860 4.412 8.653 87 HG22 ILE 11 2HG2 ILE 11 4.522 4.224 9.210 88 HG23 ILE 11 3HG2 ILE 11 3.961 3.334 7.795 89 HD11 ILE 11 3HD1 ILE 11 4.626 0.033 11.356 90 HD12 ILE 11 1HD1 ILE 11 3.167 0.136 10.371 91 HD13 ILE 11 2HD1 ILE 11 4.719 -0.222 9.613 92 H PHE 12 H PHE 12 0.164 1.920 10.499 93 HA PHE 12 HA PHE 12 0.198 0.407 12.950 94 HB2 PHE 12 2HB PHE 12 -1.738 0.871 10.741 95 HB3 PHE 12 3HB PHE 12 -1.920 -0.613 11.670 96 HD1 PHE 12 HD1 PHE 12 -0.938 2.834 12.686 97 HD2 PHE 12 HD2 PHE 12 -3.729 -0.357 13.068 98 HE1 PHE 12 HE1 PHE 12 -2.123 4.086 14.443 99 HE2 PHE 12 HE2 PHE 12 -4.918 0.890 14.825 100 HZ PHE 12 HZ PHE 12 -4.116 3.114 15.514 101 H ALA 13 H ALA 13 1.334 -1.398 13.154 102 HA ALA 13 HA ALA 13 2.194 -2.917 10.865 103 HB1 ALA 13 1HB ALA 13 2.766 -4.358 13.208 104 HB2 ALA 13 2HB ALA 13 3.865 -3.360 12.255 105 HB3 ALA 13 3HB ALA 13 2.979 -2.653 13.606 106 H LYS 14 H LYS 14 1.246 -4.653 10.015 107 HA LYS 14 HA LYS 14 -0.992 -5.872 11.490 108 HB2 LYS 14 2HB LYS 14 -1.789 -4.900 9.463 109 HB3 LYS 14 3HB LYS 14 -0.466 -5.591 8.533 110 HG2 LYS 14 2HG LYS 14 -2.596 -6.746 8.150 111 HG3 LYS 14 3HG LYS 14 -1.364 -7.812 8.830 112 HD2 LYS 14 2HD LYS 14 -2.445 -8.006 10.836 113 HD3 LYS 14 3HD LYS 14 -3.187 -6.409 10.713 114 HE2 LYS 14 2HE LYS 14 -4.863 -8.165 10.514 115 HE3 LYS 14 3HE LYS 14 -4.725 -7.256 9.010 116 HZ1 LYS 14 3HZ LYS 14 -4.840 -9.772 8.848 117 HZ2 LYS 14 1HZ LYS 14 -3.252 -9.783 9.432 118 HZ3 LYS 14 2HZ LYS 14 -3.611 -9.005 7.974 119 H MET 15 H MET 15 -0.258 -7.634 12.510 120 HA MET 15 HA MET 15 1.767 -9.319 11.287 121 HB2 MET 15 2HB MET 15 0.585 -9.016 13.984 122 HB3 MET 15 3HB MET 15 1.111 -10.637 13.548 123 HG2 MET 15 2HG MET 15 3.307 -9.450 12.839 124 HG3 MET 15 3HG MET 15 2.722 -8.149 13.875 125 HE1 MET 15 3HE MET 15 2.503 -12.296 14.740 126 HE2 MET 15 1HE MET 15 3.530 -11.728 13.423 127 HE3 MET 15 2HE MET 15 4.256 -12.258 14.941 128 H LYS 16 H LYS 16 1.441 -11.297 10.418 129 HA LYS 16 HA LYS 16 -1.006 -12.028 9.360 130 HB2 LYS 16 2HB LYS 16 1.445 -12.899 8.925 131 HB3 LYS 16 3HB LYS 16 0.973 -14.158 10.058 132 HG2 LYS 16 2HG LYS 16 -0.635 -13.484 7.612 133 HG3 LYS 16 3HG LYS 16 0.662 -14.682 7.615 134 HD2 LYS 16 2HD LYS 16 -0.539 -15.844 9.483 135 HD3 LYS 16 3HD LYS 16 -1.882 -14.726 9.234 136 HE2 LYS 16 2HE LYS 16 -2.172 -15.520 6.971 137 HE3 LYS 16 3HE LYS 16 -0.750 -16.552 7.117 138 HZ1 LYS 16 3HZ LYS 16 -3.402 -17.143 7.801 139 HZ2 LYS 16 1HZ LYS 16 -2.481 -17.167 9.220 140 HZ3 LYS 16 2HZ LYS 16 -2.043 -18.143 7.910 141 H GLY 17 H GLY 17 -2.813 -12.461 10.446 142 HA2 GLY 17 2HA GLY 17 -4.177 -13.923 11.693 143 HA3 GLY 17 3HA GLY 17 -2.741 -14.543 12.495 144 H TYR 18 H TYR 18 -3.040 -11.129 12.263 145 HA TYR 18 HA TYR 18 -4.299 -10.888 14.878 146 HB2 TYR 18 2HB TYR 18 -1.577 -9.680 14.372 147 HB3 TYR 18 3HB TYR 18 -2.489 -9.663 15.877 148 HD1 TYR 18 HD2 TYR 18 -0.548 -11.788 13.570 149 HD2 TYR 18 HD1 TYR 18 -2.435 -11.522 17.374 150 HE1 TYR 18 HE2 TYR 18 0.580 -13.859 14.269 151 HE2 TYR 18 HE1 TYR 18 -1.312 -13.592 18.084 152 HH TYR 18 HH TYR 18 1.265 -14.956 16.391 153 HA PRO 19 HA PRO 19 -5.970 -7.204 13.173 154 HB2 PRO 19 2HB PRO 19 -6.325 -5.713 15.413 155 HB3 PRO 19 3HB PRO 19 -7.331 -7.113 15.022 156 HG2 PRO 19 2HG PRO 19 -4.999 -6.917 16.889 157 HG3 PRO 19 3HG PRO 19 -6.549 -7.748 17.118 158 HD2 PRO 19 2HD PRO 19 -4.285 -9.057 16.417 159 HD3 PRO 19 3HD PRO 19 -5.895 -9.578 15.880 160 H HIS 20 H HIS 20 -5.696 -4.762 13.220 161 HA HIS 20 HA HIS 20 -2.941 -4.148 12.760 162 HB2 HIS 20 2HB HIS 20 -5.205 -2.159 12.887 163 HB3 HIS 20 3HB HIS 20 -3.698 -2.029 11.985 164 HD1 HIS 20 HD1 HIS 20 -3.516 -4.248 10.179 165 HD2 HIS 20 HD2 HIS 20 -7.240 -2.731 11.224 166 HE1 HIS 20 HE1 HIS 20 -5.081 -4.994 8.358 167 H TRP 21 H TRP 21 -1.605 -2.734 13.876 168 HA TRP 21 HA TRP 21 -2.540 -1.578 16.377 169 HB2 TRP 21 2HB TRP 21 -1.834 -3.792 17.084 170 HB3 TRP 21 3HB TRP 21 -0.293 -3.599 16.254 171 HD1 TRP 21 HD1 TRP 21 1.426 -1.744 17.337 172 HE1 TRP 21 HE1 TRP 21 1.732 -1.023 19.789 173 HE3 TRP 21 HE3 TRP 21 -3.004 -3.443 19.241 174 HZ2 TRP 21 HZ2 TRP 21 0.287 -1.157 22.210 175 HZ3 TRP 21 HZ3 TRP 21 -3.465 -3.107 21.635 176 HH2 TRP 21 HH2 TRP 21 -1.852 -1.988 23.087 177 HA PRO 22 HA PRO 22 0.176 1.629 15.042 178 HB2 PRO 22 2HB PRO 22 0.317 3.019 17.369 179 HB3 PRO 22 3HB PRO 22 -1.110 3.035 16.325 180 HG2 PRO 22 2HG PRO 22 -0.599 1.447 18.811 181 HG3 PRO 22 3HG PRO 22 -2.070 2.304 18.312 182 HD2 PRO 22 2HD PRO 22 -1.779 -0.374 18.036 183 HD3 PRO 22 3HD PRO 22 -2.732 0.605 16.903 184 H ALA 23 H ALA 23 2.258 1.174 14.676 185 HA ALA 23 HA ALA 23 4.016 0.761 16.998 186 HB1 ALA 23 1HB ALA 23 3.651 -1.415 15.997 187 HB2 ALA 23 2HB ALA 23 4.119 -0.792 14.414 188 HB3 ALA 23 3HB ALA 23 5.310 -0.888 15.711 189 H ARG 24 H ARG 24 6.435 0.686 15.855 190 HA ARG 24 HA ARG 24 6.613 3.062 14.134 191 HB2 ARG 24 2HB ARG 24 7.100 3.960 16.263 192 HB3 ARG 24 3HB ARG 24 8.049 2.555 16.729 193 HG2 ARG 24 2HG ARG 24 9.035 4.038 14.386 194 HG3 ARG 24 3HG ARG 24 9.112 4.889 15.930 195 HD2 ARG 24 2HD ARG 24 10.150 2.669 16.797 196 HD3 ARG 24 3HD ARG 24 10.461 2.355 15.090 197 HE ARG 24 HE ARG 24 11.415 4.893 15.577 198 HH11 ARG 24 1HH1 ARG 24 12.033 1.681 16.769 199 HH12 ARG 24 2HH1 ARG 24 13.697 1.994 17.132 200 HH21 ARG 24 1HH2 ARG 24 13.606 5.318 16.050 201 HH22 ARG 24 2HH2 ARG 24 14.591 4.064 16.723 202 H VAL 25 H VAL 25 8.198 3.018 12.601 203 HA VAL 25 HA VAL 25 9.391 0.458 12.041 204 HB VAL 25 HB VAL 25 9.671 3.094 10.590 205 HG11 VAL 25 1HG1 VAL 25 10.201 1.203 8.741 206 HG12 VAL 25 2HG1 VAL 25 11.443 2.031 9.683 207 HG13 VAL 25 3HG1 VAL 25 10.875 0.436 10.179 208 HG21 VAL 25 3HG2 VAL 25 7.562 2.682 9.976 209 HG22 VAL 25 1HG2 VAL 25 8.225 1.365 9.008 210 HG23 VAL 25 2HG2 VAL 25 7.604 1.044 10.628 211 H ASP 26 H ASP 26 11.509 -0.120 12.165 212 HA ASP 26 HA ASP 26 13.273 1.729 13.613 213 HB2 ASP 26 2HB ASP 26 12.644 -0.858 14.195 214 HB3 ASP 26 3HB ASP 26 14.133 -1.071 13.278 215 H GLU 27 H GLU 27 15.626 1.559 13.075 216 HA GLU 27 HA GLU 27 15.983 2.021 10.276 217 HB2 GLU 27 2HB GLU 27 18.345 2.430 10.877 218 HB3 GLU 27 3HB GLU 27 17.227 3.340 11.883 219 HG2 GLU 27 2HG GLU 27 18.560 2.586 13.528 220 HG3 GLU 27 3HG GLU 27 17.512 1.173 13.419 221 H VAL 28 H VAL 28 18.191 1.029 9.363 222 HA VAL 28 HA VAL 28 17.748 -1.864 9.358 223 HB VAL 28 HB VAL 28 19.253 -1.828 7.346 224 HG11 VAL 28 1HG1 VAL 28 16.556 -0.819 7.611 225 HG12 VAL 28 2HG1 VAL 28 17.362 -0.156 6.188 226 HG13 VAL 28 3HG1 VAL 28 17.239 -1.903 6.400 227 HG21 VAL 28 3HG2 VAL 28 18.844 1.050 6.951 228 HG22 VAL 28 1HG2 VAL 28 19.994 0.636 8.223 229 HG23 VAL 28 2HG2 VAL 28 20.242 0.041 6.581 230 HA PRO 29 HA PRO 29 21.439 -2.841 11.527 231 HB2 PRO 29 2HB PRO 29 22.169 -5.152 10.304 232 HB3 PRO 29 3HB PRO 29 20.787 -5.041 11.400 233 HG2 PRO 29 2HG PRO 29 20.837 -5.020 8.407 234 HG3 PRO 29 3HG PRO 29 19.733 -5.872 9.502 235 HD2 PRO 29 2HD PRO 29 19.061 -3.558 8.266 236 HD3 PRO 29 3HD PRO 29 18.452 -3.993 9.876 237 H ASP 30 H ASP 30 23.781 -3.569 11.112 238 HA ASP 30 HA ASP 30 25.051 -1.654 9.496 239 HB2 ASP 30 2HB ASP 30 25.986 -2.894 11.533 240 HB3 ASP 30 3HB ASP 30 26.348 -4.212 10.421 241 H GLY 31 H GLY 31 23.717 -4.705 8.732 242 HA2 GLY 31 2HA GLY 31 23.410 -4.992 6.269 243 HA3 GLY 31 3HA GLY 31 25.135 -4.686 6.138 244 H ALA 32 H ALA 32 25.896 -6.238 8.433 245 HA ALA 32 HA ALA 32 25.368 -8.939 7.377 246 HB1 ALA 32 1HB ALA 32 27.606 -9.510 8.399 247 HB2 ALA 32 2HB ALA 32 27.647 -8.440 6.997 248 HB3 ALA 32 3HB ALA 32 27.848 -7.777 8.619 249 H VAL 33 H VAL 33 23.978 -7.318 9.523 250 HA VAL 33 HA VAL 33 24.510 -8.968 11.882 251 HB VAL 33 HB VAL 33 22.523 -6.715 11.751 252 HG11 VAL 33 1HG1 VAL 33 22.187 -7.502 13.821 253 HG12 VAL 33 2HG1 VAL 33 23.696 -8.417 13.821 254 HG13 VAL 33 3HG1 VAL 33 23.707 -6.697 14.211 255 HG21 VAL 33 3HG2 VAL 33 24.388 -5.553 11.033 256 HG22 VAL 33 1HG2 VAL 33 24.516 -5.395 12.785 257 HG23 VAL 33 2HG2 VAL 33 25.504 -6.581 11.932 258 H LYS 34 H LYS 34 23.311 -10.233 9.647 259 HA LYS 34 HA LYS 34 21.558 -11.562 9.059 260 HB2 LYS 34 2HB LYS 34 20.781 -11.479 11.971 261 HB3 LYS 34 3HB LYS 34 20.511 -12.778 10.817 262 HG2 LYS 34 2HG LYS 34 23.054 -12.950 10.681 263 HG3 LYS 34 3HG LYS 34 23.072 -11.951 12.137 264 HD2 LYS 34 2HD LYS 34 23.112 -14.096 13.008 265 HD3 LYS 34 3HD LYS 34 21.391 -13.707 13.051 266 HE2 LYS 34 2HE LYS 34 20.897 -15.107 11.283 267 HE3 LYS 34 3HE LYS 34 22.539 -15.052 10.645 268 HZ1 LYS 34 3HZ LYS 34 21.983 -16.314 13.252 269 HZ2 LYS 34 1HZ LYS 34 23.281 -16.576 12.199 270 HZ3 LYS 34 2HZ LYS 34 21.746 -17.174 11.814 271 HA PRO 35 HA PRO 35 18.622 -7.936 9.190 272 HB2 PRO 35 2HB PRO 35 18.495 -7.620 6.496 273 HB3 PRO 35 3HB PRO 35 19.723 -6.838 7.498 274 HG2 PRO 35 2HG PRO 35 19.930 -9.324 5.842 275 HG3 PRO 35 3HG PRO 35 21.088 -7.991 6.009 276 HD2 PRO 35 2HD PRO 35 21.370 -10.340 7.326 277 HD3 PRO 35 3HD PRO 35 21.914 -8.792 8.005 278 HA PRO 36 HA PRO 36 15.010 -10.269 8.269 279 HB2 PRO 36 2HB PRO 36 13.342 -8.403 7.217 280 HB3 PRO 36 3HB PRO 36 13.772 -8.450 8.931 281 HG2 PRO 36 2HG PRO 36 14.884 -6.732 6.746 282 HG3 PRO 36 3HG PRO 36 14.442 -6.287 8.405 283 HD2 PRO 36 2HD PRO 36 17.003 -6.741 7.652 284 HD3 PRO 36 3HD PRO 36 16.408 -7.108 9.284 285 H THR 37 H THR 37 13.698 -11.174 6.600 286 HA THR 37 HA THR 37 14.978 -11.049 3.968 287 HB THR 37 HB THR 37 13.030 -13.072 5.092 288 HG1 THR 37 HG1 THR 37 14.885 -14.402 5.146 289 HG21 THR 37 3HG2 THR 37 13.740 -12.488 2.394 290 HG22 THR 37 1HG2 THR 37 12.709 -13.781 3.006 291 HG23 THR 37 2HG2 THR 37 14.444 -14.044 2.834 292 H ASN 38 H ASN 38 14.082 -9.301 2.954 293 HA ASN 38 HA ASN 38 12.563 -8.122 1.740 294 HB2 ASN 38 2HB ASN 38 10.576 -10.357 2.013 295 HB3 ASN 38 3HB ASN 38 10.852 -9.280 0.647 296 HD21 ASN 38 1HD2 ASN 38 10.977 -12.333 1.325 297 HD22 ASN 38 2HD2 ASN 38 12.390 -12.839 0.470 298 H LYS 39 H LYS 39 12.588 -8.068 4.691 299 HA LYS 39 HA LYS 39 9.994 -6.761 5.042 300 HB2 LYS 39 2HB LYS 39 11.110 -8.556 7.189 301 HB3 LYS 39 3HB LYS 39 9.511 -7.830 7.104 302 HG2 LYS 39 2HG LYS 39 9.439 -9.289 4.864 303 HG3 LYS 39 3HG LYS 39 10.564 -10.266 5.811 304 HD2 LYS 39 2HD LYS 39 8.220 -9.367 7.314 305 HD3 LYS 39 3HD LYS 39 7.832 -10.411 5.944 306 HE2 LYS 39 2HE LYS 39 9.969 -11.116 7.935 307 HE3 LYS 39 3HE LYS 39 8.276 -11.532 8.197 308 HZ1 LYS 39 3HZ LYS 39 10.188 -12.646 6.310 309 HZ2 LYS 39 1HZ LYS 39 8.607 -12.454 5.738 310 HZ3 LYS 39 2HZ LYS 39 8.900 -13.391 7.115 311 H LEU 40 H LEU 40 10.021 -5.637 7.322 312 HA LEU 40 HA LEU 40 12.692 -4.516 7.821 313 HB2 LEU 40 2HB LEU 40 11.337 -2.323 8.247 314 HB3 LEU 40 3HB LEU 40 11.850 -2.765 6.620 315 HG LEU 40 HG LEU 40 9.135 -3.593 7.518 316 HD11 LEU 40 1HD1 LEU 40 10.051 -0.845 7.428 317 HD12 LEU 40 2HD1 LEU 40 8.522 -1.510 8.002 318 HD13 LEU 40 3HD1 LEU 40 8.739 -1.149 6.290 319 HD21 LEU 40 3HD2 LEU 40 10.477 -3.933 5.221 320 HD22 LEU 40 1HD2 LEU 40 9.697 -2.388 4.881 321 HD23 LEU 40 2HD2 LEU 40 8.721 -3.794 5.305 322 HA PRO 41 HA PRO 41 11.842 -5.015 12.097 323 HB2 PRO 41 2HB PRO 41 13.090 -2.857 13.172 324 HB3 PRO 41 3HB PRO 41 13.966 -4.239 12.502 325 HG2 PRO 41 2HG PRO 41 13.376 -1.583 11.253 326 HG3 PRO 41 3HG PRO 41 14.880 -2.522 11.227 327 HD2 PRO 41 2HD PRO 41 13.148 -2.488 9.146 328 HD3 PRO 41 3HD PRO 41 14.132 -3.911 9.546 329 H ILE 42 H ILE 42 9.977 -4.723 13.128 330 HA ILE 42 HA ILE 42 8.771 -2.033 13.125 331 HB ILE 42 HB ILE 42 7.228 -4.620 13.269 332 HG12 ILE 42 2HG1 ILE 42 8.318 -4.489 11.093 333 HG13 ILE 42 3HG1 ILE 42 6.594 -4.181 10.918 334 HG21 ILE 42 1HG2 ILE 42 5.464 -3.345 13.704 335 HG22 ILE 42 2HG2 ILE 42 6.540 -1.954 13.822 336 HG23 ILE 42 3HG2 ILE 42 5.782 -2.354 12.280 337 HD11 ILE 42 3HD1 ILE 42 7.073 -2.310 9.854 338 HD12 ILE 42 1HD1 ILE 42 7.830 -1.686 11.319 339 HD13 ILE 42 2HD1 ILE 42 8.796 -2.562 10.131 340 H PHE 43 H PHE 43 9.069 -1.194 15.085 341 HA PHE 43 HA PHE 43 9.171 -2.878 17.439 342 HB2 PHE 43 2HB PHE 43 10.702 -0.916 17.093 343 HB3 PHE 43 3HB PHE 43 9.305 0.138 17.287 344 HD1 PHE 43 HD2 PHE 43 10.606 -2.854 19.105 345 HD2 PHE 43 HD1 PHE 43 9.302 1.192 19.316 346 HE1 PHE 43 HE2 PHE 43 10.932 -2.879 21.543 347 HE2 PHE 43 HE1 PHE 43 9.627 1.174 21.755 348 HZ PHE 43 HZ PHE 43 10.442 -0.864 22.872 349 H PHE 44 H PHE 44 7.281 -3.590 18.195 350 HA PHE 44 HA PHE 44 4.832 -2.150 17.889 351 HB2 PHE 44 2HB PHE 44 5.654 -4.708 19.197 352 HB3 PHE 44 3HB PHE 44 4.100 -4.001 19.629 353 HD1 PHE 44 HD1 PHE 44 2.958 -3.003 17.258 354 HD2 PHE 44 HD2 PHE 44 5.394 -6.459 17.749 355 HE1 PHE 44 HE1 PHE 44 1.945 -3.998 15.248 356 HE2 PHE 44 HE2 PHE 44 4.386 -7.459 15.739 357 HZ PHE 44 HZ PHE 44 2.660 -6.228 14.486 358 H PHE 45 H PHE 45 4.359 -0.395 19.026 359 HA PHE 45 HA PHE 45 5.592 0.151 21.566 360 HB2 PHE 45 2HB PHE 45 3.824 1.611 19.679 361 HB3 PHE 45 3HB PHE 45 3.760 2.102 21.368 362 HD1 PHE 45 HD1 PHE 45 6.454 1.914 22.304 363 HD2 PHE 45 HD2 PHE 45 5.028 3.160 18.491 364 HE1 PHE 45 HE1 PHE 45 8.486 3.264 21.989 365 HE2 PHE 45 HE2 PHE 45 7.059 4.512 18.170 366 HZ PHE 45 HZ PHE 45 8.792 4.564 19.919 367 H GLY 46 H GLY 46 4.601 0.286 23.576 368 HA2 GLY 46 2HA GLY 46 2.816 0.108 25.102 369 HA3 GLY 46 3HA GLY 46 1.806 -0.528 23.812 370 H THR 47 H THR 47 3.631 -2.548 22.931 371 HA THR 47 HA THR 47 3.395 -4.409 25.201 372 HB THR 47 HB THR 47 3.277 -6.221 23.558 373 HG1 THR 47 HG1 THR 47 2.888 -5.341 21.283 374 HG21 THR 47 3HG2 THR 47 1.130 -5.575 24.088 375 HG22 THR 47 1HG2 THR 47 1.124 -5.330 22.342 376 HG23 THR 47 2HG2 THR 47 1.338 -3.954 23.425 377 H HIS 48 H HIS 48 5.632 -2.680 23.475 378 HA HIS 48 HA HIS 48 7.889 -2.787 23.194 379 HB2 HIS 48 2HB HIS 48 7.503 -4.464 25.668 380 HB3 HIS 48 3HB HIS 48 9.104 -4.119 25.019 381 HD1 HIS 48 HD1 HIS 48 7.840 -1.102 24.233 382 HD2 HIS 48 HD2 HIS 48 8.373 -2.911 27.935 383 HE1 HIS 48 HE1 HIS 48 7.932 0.783 25.895 384 H GLU 49 H GLU 49 6.298 -4.642 21.671 385 HA GLU 49 HA GLU 49 8.013 -7.016 21.524 386 HB2 GLU 49 2HB GLU 49 5.411 -6.477 20.083 387 HB3 GLU 49 3HB GLU 49 6.274 -8.007 20.157 388 HG2 GLU 49 2HG GLU 49 5.822 -8.224 22.496 389 HG3 GLU 49 3HG GLU 49 5.132 -6.604 22.559 390 H THR 50 H THR 50 8.234 -7.836 19.145 391 HA THR 50 HA THR 50 8.654 -5.689 17.231 392 HB THR 50 HB THR 50 10.786 -5.564 18.224 393 HG1 THR 50 HG1 THR 50 10.748 -5.946 15.876 394 HG21 THR 50 3HG2 THR 50 11.985 -8.050 18.173 395 HG22 THR 50 1HG2 THR 50 10.353 -8.397 18.743 396 HG23 THR 50 2HG2 THR 50 11.359 -7.232 19.604 397 H ALA 51 H ALA 51 8.029 -6.361 15.290 398 HA ALA 51 HA ALA 51 8.337 -9.199 14.594 399 HB1 ALA 51 1HB ALA 51 5.863 -7.663 13.859 400 HB2 ALA 51 2HB ALA 51 6.140 -9.403 13.792 401 HB3 ALA 51 3HB ALA 51 5.980 -8.596 15.351 402 H PHE 52 H PHE 52 8.726 -9.634 12.433 403 HA PHE 52 HA PHE 52 9.597 -7.329 10.866 404 HB2 PHE 52 2HB PHE 52 10.161 -10.279 10.729 405 HB3 PHE 52 3HB PHE 52 10.534 -9.225 9.368 406 HD1 PHE 52 HD1 PHE 52 11.704 -6.901 10.330 407 HD2 PHE 52 HD2 PHE 52 11.994 -10.813 11.981 408 HE1 PHE 52 HE1 PHE 52 13.842 -6.293 11.386 409 HE2 PHE 52 HE2 PHE 52 14.131 -10.212 13.040 410 HZ PHE 52 HZ PHE 52 15.058 -7.949 12.744 411 H LEU 53 H LEU 53 8.252 -6.484 9.431 412 HA LEU 53 HA LEU 53 6.621 -8.263 7.779 413 HB2 LEU 53 2HB LEU 53 5.441 -5.773 8.969 414 HB3 LEU 53 3HB LEU 53 4.615 -7.081 8.126 415 HG LEU 53 HG LEU 53 5.947 -7.488 10.790 416 HD11 LEU 53 1HD1 LEU 53 3.025 -6.909 10.426 417 HD12 LEU 53 2HD1 LEU 53 4.194 -5.642 10.796 418 HD13 LEU 53 3HD1 LEU 53 3.958 -6.980 11.921 419 HD21 LEU 53 3HD2 LEU 53 3.582 -9.030 10.202 420 HD22 LEU 53 1HD2 LEU 53 5.209 -9.576 10.610 421 HD23 LEU 53 2HD2 LEU 53 4.793 -9.219 8.933 422 H GLY 54 H GLY 54 6.685 -7.716 5.689 423 HA2 GLY 54 2HA GLY 54 8.348 -5.677 4.731 424 HA3 GLY 54 3HA GLY 54 7.159 -6.547 3.773 425 HA PRO 55 HA PRO 55 5.965 -2.027 4.219 426 HB2 PRO 55 2HB PRO 55 5.972 -1.459 1.565 427 HB3 PRO 55 3HB PRO 55 7.406 -1.297 2.585 428 HG2 PRO 55 2HG PRO 55 6.641 -3.521 0.733 429 HG3 PRO 55 3HG PRO 55 8.222 -2.754 0.968 430 HD2 PRO 55 2HD PRO 55 7.577 -5.134 2.087 431 HD3 PRO 55 3HD PRO 55 8.674 -3.977 2.868 432 H LYS 56 H LYS 56 5.009 -4.497 1.863 433 HA LYS 56 HA LYS 56 2.437 -3.412 1.343 434 HB2 LYS 56 2HB LYS 56 3.255 -6.301 1.043 435 HB3 LYS 56 3HB LYS 56 1.985 -5.452 0.173 436 HG2 LYS 56 2HG LYS 56 3.773 -3.998 -0.820 437 HG3 LYS 56 3HG LYS 56 4.958 -5.092 -0.101 438 HD2 LYS 56 2HD LYS 56 2.758 -6.065 -1.906 439 HD3 LYS 56 3HD LYS 56 4.316 -5.516 -2.529 440 HE2 LYS 56 2HE LYS 56 5.459 -7.200 -1.197 441 HE3 LYS 56 3HE LYS 56 3.922 -7.723 -0.509 442 HZ1 LYS 56 3HZ LYS 56 3.665 -9.084 -2.217 443 HZ2 LYS 56 1HZ LYS 56 5.138 -8.579 -2.878 444 HZ3 LYS 56 2HZ LYS 56 3.706 -7.785 -3.299 445 H ASP 57 H ASP 57 3.710 -4.979 4.032 446 HA ASP 57 HA ASP 57 1.141 -6.092 4.874 447 HB2 ASP 57 2HB ASP 57 3.970 -6.467 5.683 448 HB3 ASP 57 3HB ASP 57 2.764 -6.616 6.958 449 H ILE 58 H ILE 58 3.346 -3.476 5.565 450 HA ILE 58 HA ILE 58 1.797 -2.651 7.898 451 HB ILE 58 HB ILE 58 3.504 -0.846 8.099 452 HG12 ILE 58 2HG1 ILE 58 4.895 -2.329 5.859 453 HG13 ILE 58 3HG1 ILE 58 4.086 -0.777 5.674 454 HG21 ILE 58 1HG2 ILE 58 4.825 -2.204 9.312 455 HG22 ILE 58 2HG2 ILE 58 3.654 -3.440 8.853 456 HG23 ILE 58 3HG2 ILE 58 5.157 -3.270 7.947 457 HD11 ILE 58 3HD1 ILE 58 6.372 -1.250 7.566 458 HD12 ILE 58 1HD1 ILE 58 6.562 -0.655 5.917 459 HD13 ILE 58 2HD1 ILE 58 5.660 0.294 7.099 460 H PHE 59 H PHE 59 0.483 -0.902 7.966 461 HA PHE 59 HA PHE 59 0.158 0.625 5.467 462 HB2 PHE 59 2HB PHE 59 -1.817 -0.686 7.233 463 HB3 PHE 59 3HB PHE 59 -2.252 0.925 6.670 464 HD1 PHE 59 HD1 PHE 59 -0.983 -2.335 5.388 465 HD2 PHE 59 HD2 PHE 59 -3.307 1.152 4.636 466 HE1 PHE 59 HE1 PHE 59 -1.717 -3.290 3.242 467 HE2 PHE 59 HE2 PHE 59 -4.045 0.201 2.490 468 HZ PHE 59 HZ PHE 59 -3.251 -2.023 1.791 469 HA PRO 60 HA PRO 60 0.748 4.382 7.651 470 HB2 PRO 60 2HB PRO 60 -1.101 6.022 6.527 471 HB3 PRO 60 3HB PRO 60 0.353 5.488 5.676 472 HG2 PRO 60 2HG PRO 60 -2.443 4.434 5.493 473 HG3 PRO 60 3HG PRO 60 -1.278 4.749 4.193 474 HD2 PRO 60 2HD PRO 60 -1.734 2.265 5.170 475 HD3 PRO 60 3HD PRO 60 -0.148 2.773 4.556 476 H TYR 61 H TYR 61 0.214 4.984 9.649 477 HA TYR 61 HA TYR 61 -2.132 4.105 10.940 478 HB2 TYR 61 2HB TYR 61 -1.181 4.912 12.846 479 HB3 TYR 61 3HB TYR 61 0.254 4.957 11.828 480 HD1 TYR 61 HD2 TYR 61 0.669 7.194 10.547 481 HD2 TYR 61 HD1 TYR 61 -1.850 6.836 13.958 482 HE1 TYR 61 HE2 TYR 61 0.889 9.609 10.957 483 HE2 TYR 61 HE1 TYR 61 -1.637 9.250 14.376 484 HH TYR 61 HH TYR 61 -1.105 11.339 12.871 485 H SER 62 H SER 62 -1.567 6.746 8.894 486 HA SER 62 HA SER 62 -3.339 8.659 9.961 487 HB2 SER 62 2HB SER 62 -1.579 8.929 8.088 488 HB3 SER 62 3HB SER 62 -2.839 8.331 7.009 489 HG SER 62 HG SER 62 -3.086 10.501 7.010 490 H GLU 63 H GLU 63 -3.896 5.671 8.421 491 HA GLU 63 HA GLU 63 -6.604 6.384 7.596 492 HB2 GLU 63 2HB GLU 63 -4.864 3.969 7.182 493 HB3 GLU 63 3HB GLU 63 -6.594 3.897 6.879 494 HG2 GLU 63 2HG GLU 63 -4.642 5.765 5.553 495 HG3 GLU 63 3HG GLU 63 -5.358 4.323 4.835 496 H ASN 64 H ASN 64 -4.903 4.401 9.951 497 HA ASN 64 HA ASN 64 -7.324 3.255 11.015 498 HB2 ASN 64 2HB ASN 64 -4.487 3.220 12.068 499 HB3 ASN 64 3HB ASN 64 -5.823 2.282 12.730 500 HD21 ASN 64 1HD2 ASN 64 -6.839 0.716 11.314 501 HD22 ASN 64 2HD2 ASN 64 -5.886 -0.070 10.106 502 H LYS 65 H LYS 65 -4.914 5.612 12.148 503 HA LYS 65 HA LYS 65 -6.055 6.226 14.604 504 HB2 LYS 65 2HB LYS 65 -4.696 8.148 14.629 505 HB3 LYS 65 3HB LYS 65 -3.813 6.990 13.643 506 HG2 LYS 65 2HG LYS 65 -3.604 8.792 12.298 507 HG3 LYS 65 3HG LYS 65 -5.166 8.221 11.707 508 HD2 LYS 65 2HD LYS 65 -6.334 9.891 12.783 509 HD3 LYS 65 3HD LYS 65 -5.085 10.118 14.010 510 HE2 LYS 65 2HE LYS 65 -3.670 11.255 12.458 511 HE3 LYS 65 3HE LYS 65 -4.727 10.844 11.108 512 HZ1 LYS 65 3HZ LYS 65 -6.336 12.159 12.896 513 HZ2 LYS 65 1HZ LYS 65 -5.706 12.788 11.457 514 HZ3 LYS 65 2HZ LYS 65 -4.889 13.035 12.917 515 H GLU 66 H GLU 66 -6.963 7.236 11.391 516 HA GLU 66 HA GLU 66 -8.765 9.292 12.332 517 HB2 GLU 66 2HB GLU 66 -9.306 9.643 10.009 518 HB3 GLU 66 3HB GLU 66 -7.562 9.483 10.166 519 HG2 GLU 66 2HG GLU 66 -7.591 7.291 9.273 520 HG3 GLU 66 3HG GLU 66 -9.348 7.200 9.380 521 H LYS 67 H LYS 67 -8.873 5.924 11.768 522 HA LYS 67 HA LYS 67 -11.682 5.728 11.229 523 HB2 LYS 67 2HB LYS 67 -9.426 3.867 11.618 524 HB3 LYS 67 3HB LYS 67 -10.995 3.251 12.120 525 HG2 LYS 67 2HG LYS 67 -10.870 4.552 9.470 526 HG3 LYS 67 3HG LYS 67 -10.051 2.997 9.638 527 HD2 LYS 67 2HD LYS 67 -12.235 2.468 8.946 528 HD3 LYS 67 3HD LYS 67 -12.216 2.152 10.683 529 HE2 LYS 67 2HE LYS 67 -14.247 3.319 10.087 530 HE3 LYS 67 3HE LYS 67 -13.225 4.368 11.068 531 HZ1 LYS 67 3HZ LYS 67 -12.805 4.607 8.221 532 HZ2 LYS 67 1HZ LYS 67 -12.972 5.812 9.397 533 HZ3 LYS 67 2HZ LYS 67 -14.346 5.080 8.736 534 H TYR 68 H TYR 68 -9.712 4.746 14.040 535 HA TYR 68 HA TYR 68 -12.014 5.387 15.757 536 HB2 TYR 68 2HB TYR 68 -10.318 3.219 16.758 537 HB3 TYR 68 3HB TYR 68 -12.073 3.337 16.690 538 HD1 TYR 68 HD1 TYR 68 -13.255 2.738 14.560 539 HD2 TYR 68 HD2 TYR 68 -9.110 1.976 15.145 540 HE1 TYR 68 HE1 TYR 68 -13.294 1.130 12.699 541 HE2 TYR 68 HE2 TYR 68 -9.138 0.367 13.285 542 HH TYR 68 HH TYR 68 -10.585 0.008 11.182 543 H GLY 69 H GLY 69 -8.612 5.454 15.201 544 HA2 GLY 69 2HA GLY 69 -7.005 6.787 16.191 545 HA3 GLY 69 3HA GLY 69 -8.244 7.407 17.273 546 H LYS 70 H LYS 70 -8.797 4.398 17.837 547 HA LYS 70 HA LYS 70 -6.457 3.699 19.408 548 HB2 LYS 70 2HB LYS 70 -7.813 3.459 21.492 549 HB3 LYS 70 3HB LYS 70 -7.590 5.125 20.974 550 HG2 LYS 70 2HG LYS 70 -9.907 4.635 19.759 551 HG3 LYS 70 3HG LYS 70 -10.046 3.482 21.088 552 HD2 LYS 70 2HD LYS 70 -9.436 5.403 22.630 553 HD3 LYS 70 3HD LYS 70 -9.687 6.466 21.243 554 HE2 LYS 70 2HE LYS 70 -11.985 5.564 21.028 555 HE3 LYS 70 3HE LYS 70 -11.717 4.614 22.489 556 HZ1 LYS 70 3HZ LYS 70 -12.813 6.528 23.204 557 HZ2 LYS 70 1HZ LYS 70 -11.893 7.553 22.222 558 HZ3 LYS 70 2HZ LYS 70 -11.191 6.829 23.580 559 HA PRO 71 HA PRO 71 -7.725 -0.407 18.516 560 HB2 PRO 71 2HB PRO 71 -6.797 -1.744 20.689 561 HB3 PRO 71 3HB PRO 71 -5.735 -1.100 19.431 562 HG2 PRO 71 2HG PRO 71 -6.416 0.052 22.110 563 HG3 PRO 71 3HG PRO 71 -4.841 -0.042 21.299 564 HD2 PRO 71 2HD PRO 71 -6.330 2.220 21.335 565 HD3 PRO 71 3HD PRO 71 -5.274 1.793 19.973 566 H ASN 72 H ASN 72 -9.317 -1.928 18.933 567 HA ASN 72 HA ASN 72 -11.283 -1.135 20.951 568 HB2 ASN 72 2HB ASN 72 -11.786 -1.566 18.421 569 HB3 ASN 72 3HB ASN 72 -11.762 -3.263 18.892 570 HD21 ASN 72 1HD2 ASN 72 -13.156 -0.166 19.908 571 HD22 ASN 72 2HD2 ASN 72 -14.699 -0.810 20.345 572 H LYS 73 H LYS 73 -9.902 -4.165 19.667 573 HA LYS 73 HA LYS 73 -10.174 -5.313 22.368 574 HB2 LYS 73 2HB LYS 73 -10.608 -6.548 19.662 575 HB3 LYS 73 3HB LYS 73 -10.231 -7.544 21.061 576 HG2 LYS 73 2HG LYS 73 -12.210 -6.789 22.198 577 HG3 LYS 73 3HG LYS 73 -12.558 -5.640 20.904 578 HD2 LYS 73 2HD LYS 73 -12.826 -7.509 19.333 579 HD3 LYS 73 3HD LYS 73 -12.503 -8.648 20.643 580 HE2 LYS 73 2HE LYS 73 -14.475 -7.367 21.811 581 HE3 LYS 73 3HE LYS 73 -14.895 -6.934 20.154 582 HZ1 LYS 73 3HZ LYS 73 -14.370 -9.639 20.115 583 HZ2 LYS 73 1HZ LYS 73 -15.885 -8.895 20.008 584 HZ3 LYS 73 2HZ LYS 73 -15.291 -9.391 21.512 585 H ARG 74 H ARG 74 -7.909 -3.847 21.339 586 HA ARG 74 HA ARG 74 -5.898 -5.969 21.042 587 HB2 ARG 74 2HB ARG 74 -5.259 -3.067 20.703 588 HB3 ARG 74 3HB ARG 74 -4.528 -4.467 19.930 589 HG2 ARG 74 2HG ARG 74 -7.257 -3.340 19.335 590 HG3 ARG 74 3HG ARG 74 -5.811 -3.159 18.339 591 HD2 ARG 74 2HD ARG 74 -6.227 -5.096 17.337 592 HD3 ARG 74 3HD ARG 74 -6.214 -5.928 18.892 593 HE ARG 74 HE ARG 74 -8.497 -5.998 18.826 594 HH11 ARG 74 1HH1 ARG 74 -7.373 -3.621 16.544 595 HH12 ARG 74 2HH1 ARG 74 -8.941 -3.342 15.863 596 HH21 ARG 74 1HH2 ARG 74 -10.567 -5.640 17.938 597 HH22 ARG 74 2HH2 ARG 74 -10.758 -4.490 16.657 598 H LYS 75 H LYS 75 -4.899 -6.556 22.841 599 HA LYS 75 HA LYS 75 -5.061 -5.219 25.291 600 HB2 LYS 75 2HB LYS 75 -4.563 -7.564 25.247 601 HB3 LYS 75 3HB LYS 75 -3.113 -7.296 24.289 602 HG2 LYS 75 2HG LYS 75 -1.985 -6.291 26.121 603 HG3 LYS 75 3HG LYS 75 -3.468 -6.227 27.077 604 HD2 LYS 75 2HD LYS 75 -3.529 -8.722 27.014 605 HD3 LYS 75 3HD LYS 75 -1.949 -8.692 26.228 606 HE2 LYS 75 2HE LYS 75 -2.599 -7.562 28.950 607 HE3 LYS 75 3HE LYS 75 -1.745 -9.072 28.635 608 HZ1 LYS 75 3HZ LYS 75 -0.816 -6.309 28.301 609 HZ2 LYS 75 1HZ LYS 75 -0.182 -7.505 27.286 610 HZ3 LYS 75 2HZ LYS 75 -0.012 -7.642 28.964 611 H GLY 76 H GLY 76 -3.700 -3.851 26.394 612 HA2 GLY 76 2HA GLY 76 -1.666 -2.671 26.733 613 HA3 GLY 76 3HA GLY 76 -1.248 -2.963 25.052 614 H PHE 77 H PHE 77 -4.451 -2.018 25.303 615 HA PHE 77 HA PHE 77 -4.078 0.375 23.895 616 HB2 PHE 77 2HB PHE 77 -6.441 0.772 24.244 617 HB3 PHE 77 3HB PHE 77 -6.189 -0.941 23.926 618 HD1 PHE 77 HD2 PHE 77 -6.467 -2.589 25.694 619 HD2 PHE 77 HD1 PHE 77 -7.190 1.547 26.389 620 HE1 PHE 77 HE2 PHE 77 -7.660 -3.150 27.771 621 HE2 PHE 77 HE1 PHE 77 -8.384 0.993 28.468 622 HZ PHE 77 HZ PHE 77 -8.621 -1.359 29.160 623 H ASN 78 H ASN 78 -4.295 2.548 24.514 624 HA ASN 78 HA ASN 78 -3.969 4.381 25.820 625 HB2 ASN 78 2HB ASN 78 -5.738 2.725 27.277 626 HB3 ASN 78 3HB ASN 78 -4.562 3.342 28.433 627 HD21 ASN 78 1HD2 ASN 78 -5.897 4.830 25.518 628 HD22 ASN 78 2HD2 ASN 78 -6.590 6.195 26.321 629 H GLU 79 H GLU 79 -1.949 2.118 25.572 630 HA GLU 79 HA GLU 79 -0.214 2.983 27.790 631 HB2 GLU 79 2HB GLU 79 -0.014 0.301 26.429 632 HB3 GLU 79 3HB GLU 79 0.764 0.820 27.918 633 HG2 GLU 79 2HG GLU 79 -1.984 1.119 28.350 634 HG3 GLU 79 3HG GLU 79 -1.786 -0.429 27.533 635 H GLY 80 H GLY 80 -0.011 4.624 25.824 636 HA2 GLY 80 2HA GLY 80 2.140 5.356 24.883 637 HA3 GLY 80 3HA GLY 80 2.330 3.723 24.262 638 H LEU 81 H LEU 81 -0.845 4.388 23.896 639 HA LEU 81 HA LEU 81 -0.704 4.590 21.090 640 HB2 LEU 81 2HB LEU 81 -2.620 3.607 22.145 641 HB3 LEU 81 3HB LEU 81 -2.964 5.101 23.014 642 HG LEU 81 HG LEU 81 -3.142 5.990 20.479 643 HD11 LEU 81 1HD1 LEU 81 -3.803 3.063 20.423 644 HD12 LEU 81 2HD1 LEU 81 -2.787 3.987 19.317 645 HD13 LEU 81 3HD1 LEU 81 -4.536 4.211 19.302 646 HD21 LEU 81 3HD2 LEU 81 -5.437 6.106 20.835 647 HD22 LEU 81 1HD2 LEU 81 -4.780 6.010 22.469 648 HD23 LEU 81 2HD2 LEU 81 -5.478 4.577 21.714 649 H TRP 82 H TRP 82 -1.171 6.995 23.624 650 HA TRP 82 HA TRP 82 -1.653 9.146 21.785 651 HB2 TRP 82 2HB TRP 82 -2.627 9.344 23.960 652 HB3 TRP 82 3HB TRP 82 -1.075 9.068 24.747 653 HD1 TRP 82 HD1 TRP 82 -3.104 11.785 22.992 654 HE1 TRP 82 HE1 TRP 82 -1.996 14.064 23.440 655 HE3 TRP 82 HE3 TRP 82 1.187 10.171 25.255 656 HZ2 TRP 82 HZ2 TRP 82 0.382 15.049 24.599 657 HZ3 TRP 82 HZ3 TRP 82 2.827 11.846 26.004 658 HH2 TRP 82 HH2 TRP 82 2.431 14.234 25.681 659 H GLU 83 H GLU 83 1.105 7.508 22.845 660 HA GLU 83 HA GLU 83 2.924 9.741 22.644 661 HB2 GLU 83 2HB GLU 83 3.241 6.794 23.112 662 HB3 GLU 83 3HB GLU 83 4.639 7.786 22.723 663 HG2 GLU 83 2HG GLU 83 4.364 9.099 24.674 664 HG3 GLU 83 3HG GLU 83 2.777 8.403 24.997 665 H ILE 84 H ILE 84 1.542 7.417 20.529 666 HA ILE 84 HA ILE 84 3.544 7.271 18.556 667 HB ILE 84 HB ILE 84 1.459 5.817 18.768 668 HG12 ILE 84 2HG1 ILE 84 2.190 6.955 16.060 669 HG13 ILE 84 3HG1 ILE 84 3.027 5.648 16.891 670 HG21 ILE 84 1HG2 ILE 84 0.069 7.640 16.904 671 HG22 ILE 84 2HG2 ILE 84 -0.584 6.544 18.120 672 HG23 ILE 84 3HG2 ILE 84 0.079 8.105 18.605 673 HD11 ILE 84 3HD1 ILE 84 0.268 4.986 16.697 674 HD12 ILE 84 1HD1 ILE 84 0.853 5.482 15.110 675 HD13 ILE 84 2HD1 ILE 84 1.660 4.176 15.979 676 H ASP 85 H ASP 85 1.295 9.749 19.377 677 HA ASP 85 HA ASP 85 1.993 11.212 16.915 678 HB2 ASP 85 2HB ASP 85 -0.496 10.603 17.549 679 HB3 ASP 85 3HB ASP 85 -0.343 12.004 18.605 680 H ASN 86 H ASN 86 2.970 10.966 19.948 681 HA ASN 86 HA ASN 86 3.578 13.833 20.151 682 HB2 ASN 86 2HB ASN 86 2.569 12.016 22.336 683 HB3 ASN 86 3HB ASN 86 3.433 13.511 22.686 684 HD21 ASN 86 1HD2 ASN 86 0.610 12.184 21.057 685 HD22 ASN 86 2HD2 ASN 86 -0.365 13.604 21.198 686 H ASN 87 H ASN 87 4.366 10.856 21.952 687 HA ASN 87 HA ASN 87 7.213 11.541 21.641 688 HB2 ASN 87 2HB ASN 87 6.220 11.464 23.981 689 HB3 ASN 87 3HB ASN 87 6.044 9.727 23.751 690 HD21 ASN 87 1HD2 ASN 87 7.456 9.897 25.730 691 HD22 ASN 87 2HD2 ASN 87 9.164 9.885 25.466 692 HA PRO 88 HA PRO 88 6.576 7.727 19.113 693 HB2 PRO 88 2HB PRO 88 8.266 8.495 17.132 694 HB3 PRO 88 3HB PRO 88 6.564 8.968 17.179 695 HG2 PRO 88 2HG PRO 88 8.985 10.522 18.006 696 HG3 PRO 88 3HG PRO 88 7.565 11.065 17.094 697 HD2 PRO 88 2HD PRO 88 7.876 11.563 19.737 698 HD3 PRO 88 3HD PRO 88 6.283 11.314 18.993 699 H LYS 89 H LYS 89 9.130 9.230 20.752 700 HA LYS 89 HA LYS 89 10.849 6.868 20.357 701 HB2 LYS 89 2HB LYS 89 12.782 8.272 20.795 702 HB3 LYS 89 3HB LYS 89 11.849 8.939 19.462 703 HG2 LYS 89 2HG LYS 89 10.744 10.388 21.321 704 HG3 LYS 89 3HG LYS 89 12.196 9.975 22.236 705 HD2 LYS 89 2HD LYS 89 13.561 10.821 20.336 706 HD3 LYS 89 3HD LYS 89 12.070 11.349 19.552 707 HE2 LYS 89 2HE LYS 89 13.099 13.212 20.701 708 HE3 LYS 89 3HE LYS 89 11.587 12.781 21.498 709 HZ1 LYS 89 3HZ LYS 89 13.588 13.230 22.966 710 HZ2 LYS 89 1HZ LYS 89 14.189 11.739 22.438 711 HZ3 LYS 89 2HZ LYS 89 12.721 11.810 23.275 712 H VAL 90 H VAL 90 8.817 6.779 22.216 713 HA VAL 90 HA VAL 90 9.680 7.576 24.816 714 HB VAL 90 HB VAL 90 7.294 7.202 24.219 715 HG11 VAL 90 1HG1 VAL 90 7.149 4.398 24.683 716 HG12 VAL 90 2HG1 VAL 90 6.634 5.311 23.263 717 HG13 VAL 90 3HG1 VAL 90 8.282 4.690 23.365 718 HG21 VAL 90 3HG2 VAL 90 8.514 6.853 26.597 719 HG22 VAL 90 1HG2 VAL 90 6.767 6.765 26.370 720 HG23 VAL 90 2HG2 VAL 90 7.727 5.285 26.417 721 H LYS 91 H LYS 91 10.870 5.276 22.793 722 HA LYS 91 HA LYS 91 11.351 3.204 24.760 723 HB2 LYS 91 2HB LYS 91 12.885 2.392 22.772 724 HB3 LYS 91 3HB LYS 91 11.137 2.213 22.699 725 HG2 LYS 91 2HG LYS 91 12.109 3.054 20.602 726 HG3 LYS 91 3HG LYS 91 10.946 4.174 21.315 727 HD2 LYS 91 2HD LYS 91 12.865 5.408 20.528 728 HD3 LYS 91 3HD LYS 91 12.832 5.445 22.293 729 HE2 LYS 91 2HE LYS 91 15.091 5.040 21.336 730 HE3 LYS 91 3HE LYS 91 14.537 3.764 22.419 731 HZ1 LYS 91 3HZ LYS 91 14.151 3.554 19.500 732 HZ2 LYS 91 1HZ LYS 91 14.171 2.320 20.657 733 HZ3 LYS 91 2HZ LYS 91 15.611 3.093 20.219 734 H PHE 92 H PHE 92 12.575 6.158 24.456 735 HA PHE 92 HA PHE 92 15.396 5.558 24.627 736 HB2 PHE 92 2HB PHE 92 13.760 7.917 24.245 737 HB3 PHE 92 3HB PHE 92 14.994 8.198 25.469 738 HD1 PHE 92 HD2 PHE 92 17.335 6.915 24.648 739 HD2 PHE 92 HD1 PHE 92 14.365 8.731 22.199 740 HE1 PHE 92 HE2 PHE 92 19.010 7.261 22.879 741 HE2 PHE 92 HE1 PHE 92 16.035 9.080 20.426 742 HZ PHE 92 HZ PHE 92 18.361 8.346 20.765 743 H SER 93 H SER 93 12.793 6.501 26.811 744 HA SER 93 HA SER 93 14.412 6.868 29.104 745 HB2 SER 93 2HB SER 93 11.465 6.279 28.784 746 HB3 SER 93 3HB SER 93 12.222 6.589 30.346 747 HG SER 93 HG SER 93 11.796 8.593 29.842 Start of MODEL 17 1 H MET 1 H MET 1 1.027 -0.638 1.013 2 HA MET 1 HA MET 1 2.496 0.790 -1.082 3 HB2 MET 1 2HB MET 1 2.710 0.737 1.918 4 HB3 MET 1 3HB MET 1 4.003 1.390 0.921 5 HG2 MET 1 2HG MET 1 2.786 3.268 1.452 6 HG3 MET 1 3HG MET 1 2.144 2.837 -0.131 7 HE1 MET 1 3HE MET 1 0.453 4.639 2.544 8 HE2 MET 1 1HE MET 1 0.582 4.693 0.785 9 HE3 MET 1 2HE MET 1 -0.959 4.293 1.544 10 H THR 2 H THR 2 4.057 -0.217 -2.147 11 HA THR 2 HA THR 2 5.185 -2.680 -1.025 12 HB THR 2 HB THR 2 4.254 -2.899 -3.265 13 HG1 THR 2 HG1 THR 2 7.104 -2.946 -3.357 14 HG21 THR 2 3HG2 THR 2 6.226 -1.430 -4.754 15 HG22 THR 2 1HG2 THR 2 5.358 -0.348 -3.667 16 HG23 THR 2 2HG2 THR 2 4.467 -1.328 -4.832 17 H ARG 3 H ARG 3 5.912 0.413 -0.775 18 HA ARG 3 HA ARG 3 8.795 0.081 -1.253 19 HB2 ARG 3 2HB ARG 3 8.824 2.610 -0.961 20 HB3 ARG 3 3HB ARG 3 8.040 1.995 -2.410 21 HG2 ARG 3 2HG ARG 3 6.324 2.445 -0.043 22 HG3 ARG 3 3HG ARG 3 6.957 3.870 -0.869 23 HD2 ARG 3 2HD ARG 3 6.130 2.483 -2.996 24 HD3 ARG 3 3HD ARG 3 5.014 1.834 -1.795 25 HE ARG 3 HE ARG 3 3.903 3.826 -1.826 26 HH11 ARG 3 1HH1 ARG 3 7.089 4.303 -3.146 27 HH12 ARG 3 2HH1 ARG 3 6.790 5.944 -3.616 28 HH21 ARG 3 1HH2 ARG 3 3.498 5.985 -2.440 29 HH22 ARG 3 2HH2 ARG 3 4.748 6.900 -3.213 30 H ASP 4 H ASP 4 10.282 0.526 0.367 31 HA ASP 4 HA ASP 4 9.552 -0.152 2.988 32 HB2 ASP 4 2HB ASP 4 12.018 0.913 1.689 33 HB3 ASP 4 3HB ASP 4 11.915 0.975 3.446 34 H PHE 5 H PHE 5 10.191 1.293 4.913 35 HA PHE 5 HA PHE 5 9.045 3.974 4.482 36 HB2 PHE 5 2HB PHE 5 8.531 1.912 6.552 37 HB3 PHE 5 3HB PHE 5 8.578 3.584 7.102 38 HD1 PHE 5 HD1 PHE 5 6.810 1.146 5.025 39 HD2 PHE 5 HD2 PHE 5 6.886 5.161 6.436 40 HE1 PHE 5 HE1 PHE 5 4.492 1.455 4.259 41 HE2 PHE 5 HE2 PHE 5 4.568 5.477 5.673 42 HZ PHE 5 HZ PHE 5 3.368 3.622 4.584 43 H LYS 6 H LYS 6 9.591 5.348 6.609 44 HA LYS 6 HA LYS 6 12.522 5.300 6.799 45 HB2 LYS 6 2HB LYS 6 10.471 7.462 6.868 46 HB3 LYS 6 3HB LYS 6 11.947 7.700 7.795 47 HG2 LYS 6 2HG LYS 6 13.273 7.355 5.769 48 HG3 LYS 6 3HG LYS 6 11.788 7.129 4.841 49 HD2 LYS 6 2HD LYS 6 11.086 9.410 5.459 50 HD3 LYS 6 3HD LYS 6 12.609 9.627 6.325 51 HE2 LYS 6 2HE LYS 6 12.965 10.633 4.240 52 HE3 LYS 6 3HE LYS 6 13.745 9.057 4.110 53 HZ1 LYS 6 3HZ LYS 6 11.647 8.262 3.045 54 HZ2 LYS 6 1HZ LYS 6 12.511 9.400 2.138 55 HZ3 LYS 6 2HZ LYS 6 11.126 9.870 2.986 56 HA PRO 7 HA PRO 7 12.550 4.413 11.095 57 HB2 PRO 7 2HB PRO 7 14.517 6.040 12.020 58 HB3 PRO 7 3HB PRO 7 14.838 4.613 11.028 59 HG2 PRO 7 2HG PRO 7 14.694 7.490 10.216 60 HG3 PRO 7 3HG PRO 7 15.862 6.248 9.729 61 HD2 PRO 7 2HD PRO 7 13.786 6.991 8.158 62 HD3 PRO 7 3HD PRO 7 14.432 5.338 8.167 63 H GLY 8 H GLY 8 11.191 4.966 12.677 64 HA2 GLY 8 2HA GLY 8 10.224 6.312 14.314 65 HA3 GLY 8 3HA GLY 8 11.030 7.705 13.608 66 H ASP 9 H ASP 9 9.308 5.724 11.416 67 HA ASP 9 HA ASP 9 7.379 7.853 10.991 68 HB2 ASP 9 2HB ASP 9 8.321 5.486 9.457 69 HB3 ASP 9 3HB ASP 9 6.679 6.044 9.146 70 H LEU 10 H LEU 10 5.227 7.749 11.385 71 HA LEU 10 HA LEU 10 4.309 5.671 13.164 72 HB2 LEU 10 2HB LEU 10 2.874 8.062 12.018 73 HB3 LEU 10 3HB LEU 10 2.244 7.000 13.277 74 HG LEU 10 HG LEU 10 2.987 8.879 14.435 75 HD11 LEU 10 1HD1 LEU 10 4.384 7.939 15.935 76 HD12 LEU 10 2HD1 LEU 10 5.554 7.453 14.709 77 HD13 LEU 10 3HD1 LEU 10 4.098 6.493 14.966 78 HD21 LEU 10 3HD2 LEU 10 4.369 9.574 12.290 79 HD22 LEU 10 1HD2 LEU 10 5.707 8.924 13.238 80 HD23 LEU 10 2HD2 LEU 10 4.729 10.244 13.882 81 H ILE 11 H ILE 11 3.729 3.781 12.309 82 HA ILE 11 HA ILE 11 1.712 3.774 10.199 83 HB ILE 11 HB ILE 11 2.871 1.977 8.963 84 HG12 ILE 11 2HG1 ILE 11 5.489 2.070 9.501 85 HG13 ILE 11 3HG1 ILE 11 4.881 2.426 11.114 86 HG21 ILE 11 1HG2 ILE 11 4.375 3.395 7.768 87 HG22 ILE 11 2HG2 ILE 11 3.031 4.388 8.329 88 HG23 ILE 11 3HG2 ILE 11 4.581 4.448 9.167 89 HD11 ILE 11 3HD1 ILE 11 3.357 0.283 10.378 90 HD12 ILE 11 1HD1 ILE 11 4.913 -0.078 9.631 91 HD13 ILE 11 2HD1 ILE 11 4.815 0.217 11.367 92 H PHE 12 H PHE 12 0.273 2.106 10.336 93 HA PHE 12 HA PHE 12 0.287 0.594 12.793 94 HB2 PHE 12 2HB PHE 12 -1.668 1.127 10.614 95 HB3 PHE 12 3HB PHE 12 -1.885 -0.349 11.550 96 HD1 PHE 12 HD2 PHE 12 -0.904 3.155 12.392 97 HD2 PHE 12 HD1 PHE 12 -3.528 -0.116 13.124 98 HE1 PHE 12 HE2 PHE 12 -2.017 4.448 14.164 99 HE2 PHE 12 HE1 PHE 12 -4.646 1.173 14.897 100 HZ PHE 12 HZ PHE 12 -3.890 3.458 15.420 101 H ALA 13 H ALA 13 1.368 -1.247 12.969 102 HA ALA 13 HA ALA 13 2.141 -2.781 10.658 103 HB1 ALA 13 1HB ALA 13 2.585 -4.103 13.196 104 HB2 ALA 13 2HB ALA 13 3.749 -3.560 11.986 105 HB3 ALA 13 3HB ALA 13 3.161 -2.436 13.212 106 H LYS 14 H LYS 14 1.288 -4.648 9.923 107 HA LYS 14 HA LYS 14 -1.108 -5.656 11.305 108 HB2 LYS 14 2HB LYS 14 -1.543 -4.798 9.059 109 HB3 LYS 14 3HB LYS 14 -0.314 -5.866 8.395 110 HG2 LYS 14 2HG LYS 14 -2.197 -7.057 7.916 111 HG3 LYS 14 3HG LYS 14 -1.794 -7.733 9.496 112 HD2 LYS 14 2HD LYS 14 -3.373 -6.171 10.549 113 HD3 LYS 14 3HD LYS 14 -3.790 -5.533 8.957 114 HE2 LYS 14 2HE LYS 14 -4.263 -8.317 10.007 115 HE3 LYS 14 3HE LYS 14 -5.475 -7.108 9.586 116 HZ1 LYS 14 3HZ LYS 14 -4.045 -8.943 7.887 117 HZ2 LYS 14 1HZ LYS 14 -4.080 -7.359 7.295 118 HZ3 LYS 14 2HZ LYS 14 -5.526 -8.166 7.636 119 H MET 15 H MET 15 -0.535 -7.324 12.561 120 HA MET 15 HA MET 15 1.544 -9.167 11.740 121 HB2 MET 15 2HB MET 15 0.033 -8.614 14.227 122 HB3 MET 15 3HB MET 15 0.573 -10.271 13.998 123 HG2 MET 15 2HG MET 15 2.868 -9.500 13.743 124 HG3 MET 15 3HG MET 15 2.335 -7.833 13.942 125 HE1 MET 15 3HE MET 15 3.017 -11.130 15.160 126 HE2 MET 15 1HE MET 15 3.715 -10.796 16.745 127 HE3 MET 15 2HE MET 15 2.031 -11.303 16.613 128 H LYS 16 H LYS 16 1.268 -11.217 11.026 129 HA LYS 16 HA LYS 16 -1.035 -11.984 9.706 130 HB2 LYS 16 2HB LYS 16 1.140 -13.010 9.283 131 HB3 LYS 16 3HB LYS 16 1.122 -13.751 10.878 132 HG2 LYS 16 2HG LYS 16 0.528 -15.444 9.355 133 HG3 LYS 16 3HG LYS 16 -0.968 -14.965 10.162 134 HD2 LYS 16 2HD LYS 16 -1.565 -13.572 8.250 135 HD3 LYS 16 3HD LYS 16 -0.054 -14.008 7.448 136 HE2 LYS 16 2HE LYS 16 -2.090 -16.050 8.304 137 HE3 LYS 16 3HE LYS 16 -2.136 -15.268 6.725 138 HZ1 LYS 16 3HZ LYS 16 -0.539 -17.435 7.582 139 HZ2 LYS 16 1HZ LYS 16 0.458 -16.163 7.085 140 HZ3 LYS 16 2HZ LYS 16 -0.705 -16.788 6.028 141 H GLY 17 H GLY 17 -2.991 -12.243 10.570 142 HA2 GLY 17 2HA GLY 17 -4.598 -13.483 11.747 143 HA3 GLY 17 3HA GLY 17 -3.316 -14.161 12.739 144 H TYR 18 H TYR 18 -3.405 -10.740 12.265 145 HA TYR 18 HA TYR 18 -4.872 -10.274 14.735 146 HB2 TYR 18 2HB TYR 18 -2.048 -9.244 14.421 147 HB3 TYR 18 3HB TYR 18 -3.095 -9.072 15.825 148 HD1 TYR 18 HD1 TYR 18 -1.060 -11.445 13.872 149 HD2 TYR 18 HD2 TYR 18 -3.315 -10.834 17.428 150 HE1 TYR 18 HE1 TYR 18 -0.129 -13.518 14.812 151 HE2 TYR 18 HE2 TYR 18 -2.389 -12.905 18.378 152 HH TYR 18 HH TYR 18 0.244 -14.366 17.389 153 HA PRO 19 HA PRO 19 -6.178 -6.647 12.631 154 HB2 PRO 19 2HB PRO 19 -6.742 -5.026 14.735 155 HB3 PRO 19 3HB PRO 19 -7.749 -6.409 14.290 156 HG2 PRO 19 2HG PRO 19 -5.658 -6.197 16.422 157 HG3 PRO 19 3HG PRO 19 -7.258 -6.958 16.496 158 HD2 PRO 19 2HD PRO 19 -4.981 -8.382 16.146 159 HD3 PRO 19 3HD PRO 19 -6.534 -8.874 15.439 160 H HIS 20 H HIS 20 -5.822 -4.200 12.633 161 HA HIS 20 HA HIS 20 -3.042 -3.693 12.365 162 HB2 HIS 20 2HB HIS 20 -5.146 -1.545 12.489 163 HB3 HIS 20 3HB HIS 20 -3.650 -1.564 11.560 164 HD1 HIS 20 HD1 HIS 20 -3.638 -3.421 9.550 165 HD2 HIS 20 HD2 HIS 20 -7.335 -2.294 11.075 166 HE1 HIS 20 HE1 HIS 20 -5.320 -4.109 7.812 167 H TRP 21 H TRP 21 -1.678 -2.380 13.568 168 HA TRP 21 HA TRP 21 -2.646 -1.242 16.064 169 HB2 TRP 21 2HB TRP 21 -2.093 -3.481 16.774 170 HB3 TRP 21 3HB TRP 21 -0.537 -3.406 15.951 171 HD1 TRP 21 HD1 TRP 21 1.365 -1.831 17.087 172 HE1 TRP 21 HE1 TRP 21 1.700 -1.109 19.535 173 HE3 TRP 21 HE3 TRP 21 -3.302 -2.883 18.888 174 HZ2 TRP 21 HZ2 TRP 21 0.186 -1.001 21.915 175 HZ3 TRP 21 HZ3 TRP 21 -3.777 -2.442 21.262 176 HH2 TRP 21 HH2 TRP 21 -2.068 -1.521 22.742 177 HA PRO 22 HA PRO 22 0.281 1.847 14.901 178 HB2 PRO 22 2HB PRO 22 0.377 3.195 17.256 179 HB3 PRO 22 3HB PRO 22 -0.995 3.297 16.145 180 HG2 PRO 22 2HG PRO 22 -0.684 1.649 18.625 181 HG3 PRO 22 3HG PRO 22 -2.085 2.585 18.072 182 HD2 PRO 22 2HD PRO 22 -1.913 -0.099 17.764 183 HD3 PRO 22 3HD PRO 22 -2.761 0.943 16.603 184 H ALA 23 H ALA 23 2.376 1.410 14.652 185 HA ALA 23 HA ALA 23 3.979 0.803 17.040 186 HB1 ALA 23 1HB ALA 23 3.927 -0.711 14.451 187 HB2 ALA 23 2HB ALA 23 5.342 -0.732 15.505 188 HB3 ALA 23 3HB ALA 23 3.791 -1.326 16.099 189 H ARG 24 H ARG 24 6.453 0.738 16.113 190 HA ARG 24 HA ARG 24 6.795 3.248 14.607 191 HB2 ARG 24 2HB ARG 24 7.351 3.688 16.903 192 HB3 ARG 24 3HB ARG 24 8.343 2.238 16.995 193 HG2 ARG 24 2HG ARG 24 9.089 4.248 14.957 194 HG3 ARG 24 3HG ARG 24 9.364 4.668 16.649 195 HD2 ARG 24 2HD ARG 24 10.507 2.397 16.849 196 HD3 ARG 24 3HD ARG 24 10.487 2.361 15.086 197 HE ARG 24 HE ARG 24 12.152 3.945 15.059 198 HH11 ARG 24 1HH1 ARG 24 10.833 3.687 18.271 199 HH12 ARG 24 2HH1 ARG 24 12.065 4.666 18.996 200 HH21 ARG 24 1HH2 ARG 24 13.779 5.235 16.003 201 HH22 ARG 24 2HH2 ARG 24 13.740 5.546 17.705 202 H VAL 25 H VAL 25 8.390 3.321 13.070 203 HA VAL 25 HA VAL 25 9.442 0.743 12.221 204 HB VAL 25 HB VAL 25 9.607 3.432 10.852 205 HG11 VAL 25 1HG1 VAL 25 11.205 2.383 9.676 206 HG12 VAL 25 2HG1 VAL 25 10.720 0.787 10.252 207 HG13 VAL 25 3HG1 VAL 25 9.857 1.542 8.912 208 HG21 VAL 25 3HG2 VAL 25 7.688 1.133 10.523 209 HG22 VAL 25 1HG2 VAL 25 7.314 2.792 10.988 210 HG23 VAL 25 2HG2 VAL 25 7.862 2.438 9.350 211 H ASP 26 H ASP 26 11.542 0.161 12.255 212 HA ASP 26 HA ASP 26 13.420 2.028 13.525 213 HB2 ASP 26 2HB ASP 26 12.842 -0.471 14.301 214 HB3 ASP 26 3HB ASP 26 14.133 -0.834 13.160 215 H GLU 27 H GLU 27 15.685 1.953 12.791 216 HA GLU 27 HA GLU 27 15.792 2.149 9.916 217 HB2 GLU 27 2HB GLU 27 17.946 3.122 10.212 218 HB3 GLU 27 3HB GLU 27 16.921 3.757 11.491 219 HG2 GLU 27 2HG GLU 27 17.904 1.815 12.897 220 HG3 GLU 27 3HG GLU 27 19.165 1.799 11.666 221 H VAL 28 H VAL 28 17.598 1.167 8.682 222 HA VAL 28 HA VAL 28 17.560 -1.629 8.873 223 HB VAL 28 HB VAL 28 19.504 -1.526 7.247 224 HG11 VAL 28 1HG1 VAL 28 18.104 -1.069 5.458 225 HG12 VAL 28 2HG1 VAL 28 16.963 -1.464 6.745 226 HG13 VAL 28 3HG1 VAL 28 17.261 0.221 6.315 227 HG21 VAL 28 3HG2 VAL 28 18.951 1.425 7.175 228 HG22 VAL 28 1HG2 VAL 28 20.243 0.741 8.161 229 HG23 VAL 28 2HG2 VAL 28 20.264 0.530 6.410 230 HA PRO 29 HA PRO 29 20.715 -2.672 11.742 231 HB2 PRO 29 2HB PRO 29 21.713 -4.941 10.633 232 HB3 PRO 29 3HB PRO 29 20.127 -4.868 11.411 233 HG2 PRO 29 2HG PRO 29 20.817 -4.751 8.500 234 HG3 PRO 29 3HG PRO 29 19.512 -5.641 9.305 235 HD2 PRO 29 2HD PRO 29 19.099 -3.290 8.026 236 HD3 PRO 29 3HD PRO 29 18.163 -3.778 9.454 237 H ASP 30 H ASP 30 23.100 -3.386 11.813 238 HA ASP 30 HA ASP 30 24.676 -1.413 10.603 239 HB2 ASP 30 2HB ASP 30 25.095 -2.987 12.687 240 HB3 ASP 30 3HB ASP 30 25.923 -3.980 11.490 241 H GLY 31 H GLY 31 23.559 -4.424 9.411 242 HA2 GLY 31 2HA GLY 31 23.748 -4.564 6.923 243 HA3 GLY 31 3HA GLY 31 25.459 -4.237 7.154 244 H ALA 32 H ALA 32 25.855 -5.909 9.419 245 HA ALA 32 HA ALA 32 25.471 -8.564 8.193 246 HB1 ALA 32 1HB ALA 32 27.608 -9.237 8.934 247 HB2 ALA 32 2HB ALA 32 27.828 -7.643 8.210 248 HB3 ALA 32 3HB ALA 32 27.783 -7.815 9.964 249 H VAL 33 H VAL 33 23.914 -6.999 10.276 250 HA VAL 33 HA VAL 33 24.237 -8.720 12.618 251 HB VAL 33 HB VAL 33 22.237 -6.489 12.359 252 HG11 VAL 33 1HG1 VAL 33 21.722 -7.393 14.354 253 HG12 VAL 33 2HG1 VAL 33 23.281 -8.205 14.505 254 HG13 VAL 33 3HG1 VAL 33 23.132 -6.495 14.916 255 HG21 VAL 33 3HG2 VAL 33 24.380 -5.536 11.750 256 HG22 VAL 33 1HG2 VAL 33 23.919 -4.993 13.364 257 HG23 VAL 33 2HG2 VAL 33 25.133 -6.257 13.172 258 H LYS 34 H LYS 34 23.275 -9.956 10.264 259 HA LYS 34 HA LYS 34 21.597 -11.278 9.473 260 HB2 LYS 34 2HB LYS 34 22.013 -12.260 11.745 261 HB3 LYS 34 3HB LYS 34 20.677 -11.291 12.352 262 HG2 LYS 34 2HG LYS 34 19.215 -12.435 10.658 263 HG3 LYS 34 3HG LYS 34 20.567 -13.527 10.346 264 HD2 LYS 34 2HD LYS 34 19.142 -14.600 11.925 265 HD3 LYS 34 3HD LYS 34 20.576 -14.058 12.801 266 HE2 LYS 34 2HE LYS 34 19.375 -12.140 13.650 267 HE3 LYS 34 3HE LYS 34 17.960 -12.560 12.686 268 HZ1 LYS 34 3HZ LYS 34 17.725 -13.241 15.003 269 HZ2 LYS 34 1HZ LYS 34 19.097 -14.222 14.869 270 HZ3 LYS 34 2HZ LYS 34 17.712 -14.579 13.968 271 HA PRO 35 HA PRO 35 18.591 -7.744 9.364 272 HB2 PRO 35 2HB PRO 35 18.541 -7.569 6.655 273 HB3 PRO 35 3HB PRO 35 19.738 -6.731 7.650 274 HG2 PRO 35 2HG PRO 35 19.998 -9.299 6.133 275 HG3 PRO 35 3HG PRO 35 21.148 -7.954 6.263 276 HD2 PRO 35 2HD PRO 35 21.398 -10.230 7.709 277 HD3 PRO 35 3HD PRO 35 21.918 -8.647 8.322 278 HA PRO 36 HA PRO 36 15.016 -10.142 8.470 279 HB2 PRO 36 2HB PRO 36 13.365 -8.335 7.296 280 HB3 PRO 36 3HB PRO 36 13.753 -8.303 9.020 281 HG2 PRO 36 2HG PRO 36 14.910 -6.678 6.787 282 HG3 PRO 36 3HG PRO 36 14.425 -6.161 8.413 283 HD2 PRO 36 2HD PRO 36 17.006 -6.634 7.743 284 HD3 PRO 36 3HD PRO 36 16.374 -6.931 9.375 285 H THR 37 H THR 37 13.646 -11.021 6.778 286 HA THR 37 HA THR 37 15.029 -11.062 4.190 287 HB THR 37 HB THR 37 13.018 -13.003 5.347 288 HG1 THR 37 HG1 THR 37 14.784 -13.731 6.261 289 HG21 THR 37 3HG2 THR 37 14.464 -14.094 3.165 290 HG22 THR 37 1HG2 THR 37 13.803 -12.545 2.644 291 HG23 THR 37 2HG2 THR 37 12.731 -13.790 3.284 292 H ASN 38 H ASN 38 14.190 -9.326 3.101 293 HA ASN 38 HA ASN 38 12.725 -8.164 1.806 294 HB2 ASN 38 2HB ASN 38 10.718 -10.385 2.067 295 HB3 ASN 38 3HB ASN 38 11.038 -9.338 0.687 296 HD21 ASN 38 1HD2 ASN 38 11.111 -12.370 1.387 297 HD22 ASN 38 2HD2 ASN 38 12.558 -12.898 0.604 298 H LYS 39 H LYS 39 12.619 -8.104 4.783 299 HA LYS 39 HA LYS 39 10.033 -6.745 4.995 300 HB2 LYS 39 2HB LYS 39 11.099 -8.709 7.032 301 HB3 LYS 39 3HB LYS 39 9.674 -7.700 7.245 302 HG2 LYS 39 2HG LYS 39 8.426 -8.912 5.726 303 HG3 LYS 39 3HG LYS 39 9.853 -9.562 4.916 304 HD2 LYS 39 2HD LYS 39 10.331 -10.973 6.832 305 HD3 LYS 39 3HD LYS 39 8.971 -10.273 7.714 306 HE2 LYS 39 2HE LYS 39 7.533 -11.091 5.756 307 HE3 LYS 39 3HE LYS 39 8.928 -12.073 5.312 308 HZ1 LYS 39 3HZ LYS 39 8.172 -13.570 6.743 309 HZ2 LYS 39 1HZ LYS 39 6.998 -12.514 7.351 310 HZ3 LYS 39 2HZ LYS 39 8.560 -12.506 8.000 311 H LEU 40 H LEU 40 9.991 -5.594 7.275 312 HA LEU 40 HA LEU 40 12.646 -4.456 7.820 313 HB2 LEU 40 2HB LEU 40 11.258 -2.270 8.203 314 HB3 LEU 40 3HB LEU 40 11.824 -2.716 6.594 315 HG LEU 40 HG LEU 40 9.092 -3.567 7.418 316 HD11 LEU 40 1HD1 LEU 40 8.658 -1.156 6.183 317 HD12 LEU 40 2HD1 LEU 40 9.990 -0.799 7.281 318 HD13 LEU 40 3HD1 LEU 40 8.488 -1.476 7.909 319 HD21 LEU 40 3HD2 LEU 40 10.634 -3.635 5.088 320 HD22 LEU 40 1HD2 LEU 40 9.410 -2.397 4.809 321 HD23 LEU 40 2HD2 LEU 40 8.923 -4.033 5.253 322 HA PRO 41 HA PRO 41 11.720 -4.908 12.085 323 HB2 PRO 41 2HB PRO 41 12.907 -2.715 13.159 324 HB3 PRO 41 3HB PRO 41 13.821 -4.088 12.523 325 HG2 PRO 41 2HG PRO 41 13.207 -1.459 11.230 326 HG3 PRO 41 3HG PRO 41 14.729 -2.369 11.246 327 HD2 PRO 41 2HD PRO 41 13.039 -2.392 9.130 328 HD3 PRO 41 3HD PRO 41 14.041 -3.791 9.567 329 H ILE 42 H ILE 42 9.802 -4.653 13.025 330 HA ILE 42 HA ILE 42 8.576 -1.972 13.021 331 HB ILE 42 HB ILE 42 7.039 -4.566 13.041 332 HG12 ILE 42 2HG1 ILE 42 8.217 -4.404 10.919 333 HG13 ILE 42 3HG1 ILE 42 6.507 -4.068 10.670 334 HG21 ILE 42 1HG2 ILE 42 5.320 -3.261 13.553 335 HG22 ILE 42 2HG2 ILE 42 6.346 -1.830 13.482 336 HG23 ILE 42 3HG2 ILE 42 5.540 -2.410 12.024 337 HD11 ILE 42 3HD1 ILE 42 7.153 -2.254 9.578 338 HD12 ILE 42 1HD1 ILE 42 7.614 -1.581 11.141 339 HD13 ILE 42 2HD1 ILE 42 8.814 -2.412 10.151 340 H PHE 43 H PHE 43 9.218 -1.333 15.041 341 HA PHE 43 HA PHE 43 9.067 -3.030 17.332 342 HB2 PHE 43 2HB PHE 43 10.648 -1.105 17.105 343 HB3 PHE 43 3HB PHE 43 9.275 -0.014 17.256 344 HD1 PHE 43 HD1 PHE 43 10.453 -3.056 19.075 345 HD2 PHE 43 HD2 PHE 43 9.170 0.996 19.303 346 HE1 PHE 43 HE1 PHE 43 10.673 -3.128 21.525 347 HE2 PHE 43 HE2 PHE 43 9.388 0.931 21.753 348 HZ PHE 43 HZ PHE 43 10.141 -1.133 22.867 349 H PHE 44 H PHE 44 7.162 -3.718 18.062 350 HA PHE 44 HA PHE 44 4.729 -2.276 17.707 351 HB2 PHE 44 2HB PHE 44 5.552 -4.850 18.895 352 HB3 PHE 44 3HB PHE 44 4.111 -4.126 19.601 353 HD1 PHE 44 HD2 PHE 44 5.590 -5.513 16.544 354 HD2 PHE 44 HD1 PHE 44 2.066 -3.977 18.372 355 HE1 PHE 44 HE2 PHE 44 4.247 -6.378 14.673 356 HE2 PHE 44 HE1 PHE 44 0.717 -4.841 16.504 357 HZ PHE 44 HZ PHE 44 1.807 -6.042 14.650 358 H PHE 45 H PHE 45 4.123 -0.560 18.831 359 HA PHE 45 HA PHE 45 5.366 0.116 21.335 360 HB2 PHE 45 2HB PHE 45 4.893 2.144 20.507 361 HB3 PHE 45 3HB PHE 45 3.780 1.466 19.322 362 HD1 PHE 45 HD1 PHE 45 1.403 1.206 19.860 363 HD2 PHE 45 HD2 PHE 45 4.111 3.090 22.551 364 HE1 PHE 45 HE1 PHE 45 -0.496 2.170 21.091 365 HE2 PHE 45 HE2 PHE 45 2.216 4.056 23.787 366 HZ PHE 45 HZ PHE 45 -0.092 3.596 23.058 367 H GLY 46 H GLY 46 4.331 0.365 23.347 368 HA2 GLY 46 2HA GLY 46 2.588 0.104 24.896 369 HA3 GLY 46 3HA GLY 46 1.620 -0.662 23.645 370 H THR 47 H THR 47 3.570 -2.591 22.842 371 HA THR 47 HA THR 47 3.553 -4.325 25.225 372 HB THR 47 HB THR 47 3.330 -6.242 23.771 373 HG1 THR 47 HG1 THR 47 3.525 -4.320 21.680 374 HG21 THR 47 3HG2 THR 47 1.366 -4.068 23.036 375 HG22 THR 47 1HG2 THR 47 1.254 -5.153 24.421 376 HG23 THR 47 2HG2 THR 47 1.113 -5.794 22.784 377 H HIS 48 H HIS 48 5.571 -2.558 23.346 378 HA HIS 48 HA HIS 48 7.799 -2.584 22.864 379 HB2 HIS 48 2HB HIS 48 7.677 -4.162 25.428 380 HB3 HIS 48 3HB HIS 48 9.208 -3.776 24.648 381 HD1 HIS 48 HD1 HIS 48 8.275 -0.839 23.787 382 HD2 HIS 48 HD2 HIS 48 8.105 -2.486 27.597 383 HE1 HIS 48 HE1 HIS 48 8.263 1.119 25.365 384 H GLU 49 H GLU 49 6.152 -4.642 21.615 385 HA GLU 49 HA GLU 49 7.906 -6.963 21.463 386 HB2 GLU 49 2HB GLU 49 5.262 -6.379 20.118 387 HB3 GLU 49 3HB GLU 49 6.150 -7.890 19.977 388 HG2 GLU 49 2HG GLU 49 5.856 -8.357 22.303 389 HG3 GLU 49 3HG GLU 49 5.157 -6.764 22.582 390 H THR 50 H THR 50 8.091 -7.853 19.088 391 HA THR 50 HA THR 50 8.623 -5.735 17.158 392 HB THR 50 HB THR 50 10.764 -5.763 18.126 393 HG1 THR 50 HG1 THR 50 11.749 -6.120 16.287 394 HG21 THR 50 3HG2 THR 50 11.178 -7.458 19.537 395 HG22 THR 50 1HG2 THR 50 11.802 -8.305 18.122 396 HG23 THR 50 2HG2 THR 50 10.139 -8.570 18.647 397 H ALA 51 H ALA 51 7.919 -6.355 15.228 398 HA ALA 51 HA ALA 51 8.021 -9.207 14.521 399 HB1 ALA 51 1HB ALA 51 5.718 -8.393 15.299 400 HB2 ALA 51 2HB ALA 51 5.662 -7.514 13.771 401 HB3 ALA 51 3HB ALA 51 5.812 -9.271 13.772 402 H PHE 52 H PHE 52 8.626 -9.640 12.462 403 HA PHE 52 HA PHE 52 9.491 -7.379 10.844 404 HB2 PHE 52 2HB PHE 52 10.071 -10.322 10.836 405 HB3 PHE 52 3HB PHE 52 10.419 -9.355 9.407 406 HD1 PHE 52 HD1 PHE 52 11.506 -6.916 10.318 407 HD2 PHE 52 HD2 PHE 52 11.991 -10.802 11.985 408 HE1 PHE 52 HE1 PHE 52 13.648 -6.220 11.308 409 HE2 PHE 52 HE2 PHE 52 14.133 -10.112 12.979 410 HZ PHE 52 HZ PHE 52 14.964 -7.818 12.642 411 H LEU 53 H LEU 53 7.999 -6.529 9.547 412 HA LEU 53 HA LEU 53 6.447 -8.352 7.843 413 HB2 LEU 53 2HB LEU 53 5.291 -5.815 8.959 414 HB3 LEU 53 3HB LEU 53 4.454 -7.125 8.129 415 HG LEU 53 HG LEU 53 5.735 -7.477 10.829 416 HD11 LEU 53 1HD1 LEU 53 4.147 -5.740 11.153 417 HD12 LEU 53 2HD1 LEU 53 3.402 -7.236 11.712 418 HD13 LEU 53 3HD1 LEU 53 2.951 -6.558 10.148 419 HD21 LEU 53 3HD2 LEU 53 3.606 -9.163 10.645 420 HD22 LEU 53 1HD2 LEU 53 5.274 -9.600 10.273 421 HD23 LEU 53 2HD2 LEU 53 4.176 -9.128 8.976 422 H GLY 54 H GLY 54 6.519 -7.861 5.738 423 HA2 GLY 54 2HA GLY 54 8.238 -5.925 4.706 424 HA3 GLY 54 3HA GLY 54 6.975 -6.735 3.791 425 HA PRO 55 HA PRO 55 6.062 -2.150 4.164 426 HB2 PRO 55 2HB PRO 55 5.975 -1.659 1.495 427 HB3 PRO 55 3HB PRO 55 7.464 -1.559 2.442 428 HG2 PRO 55 2HG PRO 55 6.475 -3.782 0.699 429 HG3 PRO 55 3HG PRO 55 8.110 -3.110 0.835 430 HD2 PRO 55 2HD PRO 55 7.375 -5.411 2.057 431 HD3 PRO 55 3HD PRO 55 8.578 -4.305 2.750 432 H LYS 56 H LYS 56 4.868 -4.447 1.713 433 HA LYS 56 HA LYS 56 2.340 -3.264 1.377 434 HB2 LYS 56 2HB LYS 56 3.166 -6.148 0.990 435 HB3 LYS 56 3HB LYS 56 1.683 -5.426 0.379 436 HG2 LYS 56 2HG LYS 56 3.404 -3.738 -0.723 437 HG3 LYS 56 3HG LYS 56 4.472 -5.135 -0.574 438 HD2 LYS 56 2HD LYS 56 1.737 -5.456 -1.742 439 HD3 LYS 56 3HD LYS 56 3.052 -4.819 -2.733 440 HE2 LYS 56 2HE LYS 56 3.144 -7.101 -3.148 441 HE3 LYS 56 3HE LYS 56 4.369 -6.877 -1.900 442 HZ1 LYS 56 3HZ LYS 56 2.760 -8.796 -1.614 443 HZ2 LYS 56 1HZ LYS 56 1.590 -7.635 -1.232 444 HZ3 LYS 56 2HZ LYS 56 2.978 -7.783 -0.277 445 H ASP 57 H ASP 57 3.633 -5.080 3.948 446 HA ASP 57 HA ASP 57 1.061 -6.021 4.914 447 HB2 ASP 57 2HB ASP 57 3.907 -6.378 5.740 448 HB3 ASP 57 3HB ASP 57 2.651 -6.616 6.952 449 H ILE 58 H ILE 58 3.324 -3.431 5.498 450 HA ILE 58 HA ILE 58 1.849 -2.543 7.857 451 HB ILE 58 HB ILE 58 3.603 -0.768 7.985 452 HG12 ILE 58 2HG1 ILE 58 4.921 -2.355 5.773 453 HG13 ILE 58 3HG1 ILE 58 4.153 -0.787 5.551 454 HG21 ILE 58 1HG2 ILE 58 4.772 -3.539 7.862 455 HG22 ILE 58 2HG2 ILE 58 5.279 -2.197 8.886 456 HG23 ILE 58 3HG2 ILE 58 3.722 -2.978 9.164 457 HD11 ILE 58 3HD1 ILE 58 6.625 -0.710 5.752 458 HD12 ILE 58 1HD1 ILE 58 5.773 0.275 6.940 459 HD13 ILE 58 2HD1 ILE 58 6.461 -1.279 7.413 460 H PHE 59 H PHE 59 0.566 -0.775 7.920 461 HA PHE 59 HA PHE 59 0.235 0.732 5.409 462 HB2 PHE 59 2HB PHE 59 -1.735 -0.529 7.211 463 HB3 PHE 59 3HB PHE 59 -2.147 1.094 6.666 464 HD1 PHE 59 HD2 PHE 59 -0.898 -2.140 5.290 465 HD2 PHE 59 HD1 PHE 59 -3.319 1.312 4.706 466 HE1 PHE 59 HE2 PHE 59 -1.698 -3.066 3.155 467 HE2 PHE 59 HE1 PHE 59 -4.124 0.391 2.571 468 HZ PHE 59 HZ PHE 59 -3.312 -1.800 1.793 469 HA PRO 60 HA PRO 60 0.924 4.507 7.532 470 HB2 PRO 60 2HB PRO 60 -0.935 6.160 6.446 471 HB3 PRO 60 3HB PRO 60 0.486 5.598 5.558 472 HG2 PRO 60 2HG PRO 60 -2.328 4.581 5.469 473 HG3 PRO 60 3HG PRO 60 -1.199 4.867 4.132 474 HD2 PRO 60 2HD PRO 60 -1.659 2.399 5.148 475 HD3 PRO 60 3HD PRO 60 -0.085 2.879 4.482 476 H TYR 61 H TYR 61 0.445 5.205 9.516 477 HA TYR 61 HA TYR 61 -1.849 4.341 10.910 478 HB2 TYR 61 2HB TYR 61 -0.811 5.163 12.752 479 HB3 TYR 61 3HB TYR 61 0.572 5.280 11.669 480 HD1 TYR 61 HD1 TYR 61 0.925 7.520 10.454 481 HD2 TYR 61 HD2 TYR 61 -1.627 7.066 13.828 482 HE1 TYR 61 HE1 TYR 61 1.044 9.942 10.863 483 HE2 TYR 61 HE2 TYR 61 -1.516 9.487 14.246 484 HH TYR 61 HH TYR 61 0.040 11.671 11.991 485 H SER 62 H SER 62 -1.369 6.927 8.775 486 HA SER 62 HA SER 62 -3.175 8.820 9.867 487 HB2 SER 62 2HB SER 62 -1.378 9.117 8.006 488 HB3 SER 62 3HB SER 62 -2.653 8.572 6.917 489 HG SER 62 HG SER 62 -3.689 10.400 7.196 490 H GLU 63 H GLU 63 -3.628 5.847 8.258 491 HA GLU 63 HA GLU 63 -6.357 6.515 7.446 492 HB2 GLU 63 2HB GLU 63 -4.548 5.091 6.112 493 HB3 GLU 63 3HB GLU 63 -5.226 3.785 7.074 494 HG2 GLU 63 2HG GLU 63 -7.471 4.381 6.222 495 HG3 GLU 63 3HG GLU 63 -6.716 5.586 5.180 496 H ASN 64 H ASN 64 -4.570 4.523 9.714 497 HA ASN 64 HA ASN 64 -6.932 3.185 10.693 498 HB2 ASN 64 2HB ASN 64 -4.103 3.247 11.767 499 HB3 ASN 64 3HB ASN 64 -5.391 2.204 12.365 500 HD21 ASN 64 1HD2 ASN 64 -3.383 2.948 9.587 501 HD22 ASN 64 2HD2 ASN 64 -3.516 1.396 8.840 502 H LYS 65 H LYS 65 -4.703 5.677 11.884 503 HA LYS 65 HA LYS 65 -5.821 6.090 14.394 504 HB2 LYS 65 2HB LYS 65 -4.617 8.100 14.475 505 HB3 LYS 65 3HB LYS 65 -3.684 7.088 13.380 506 HG2 LYS 65 2HG LYS 65 -3.697 8.971 12.139 507 HG3 LYS 65 3HG LYS 65 -5.239 8.311 11.590 508 HD2 LYS 65 2HD LYS 65 -6.164 9.640 13.668 509 HD3 LYS 65 3HD LYS 65 -4.690 10.583 13.438 510 HE2 LYS 65 2HE LYS 65 -5.378 11.423 11.429 511 HE3 LYS 65 3HE LYS 65 -6.357 10.007 11.049 512 HZ1 LYS 65 3HZ LYS 65 -8.004 11.461 11.525 513 HZ2 LYS 65 1HZ LYS 65 -7.055 12.396 12.568 514 HZ3 LYS 65 2HZ LYS 65 -7.713 10.934 13.106 515 H GLU 66 H GLU 66 -6.951 7.051 11.254 516 HA GLU 66 HA GLU 66 -8.871 8.949 12.299 517 HB2 GLU 66 2HB GLU 66 -7.643 8.921 9.964 518 HB3 GLU 66 3HB GLU 66 -8.994 7.893 9.506 519 HG2 GLU 66 2HG GLU 66 -10.513 9.579 9.648 520 HG3 GLU 66 3HG GLU 66 -9.606 10.443 10.887 521 H LYS 67 H LYS 67 -8.716 5.593 11.698 522 HA LYS 67 HA LYS 67 -11.517 5.163 11.261 523 HB2 LYS 67 2HB LYS 67 -9.098 3.500 11.533 524 HB3 LYS 67 3HB LYS 67 -10.583 2.746 12.099 525 HG2 LYS 67 2HG LYS 67 -10.202 3.947 9.364 526 HG3 LYS 67 3HG LYS 67 -10.058 2.230 9.746 527 HD2 LYS 67 2HD LYS 67 -12.547 3.566 10.617 528 HD3 LYS 67 3HD LYS 67 -12.332 3.365 8.877 529 HE2 LYS 67 2HE LYS 67 -11.650 0.914 9.637 530 HE3 LYS 67 3HE LYS 67 -12.683 1.324 11.005 531 HZ1 LYS 67 3HZ LYS 67 -13.856 2.021 8.488 532 HZ2 LYS 67 1HZ LYS 67 -14.500 1.116 9.764 533 HZ3 LYS 67 2HZ LYS 67 -13.525 0.366 8.603 534 H TYR 68 H TYR 68 -9.368 4.302 13.979 535 HA TYR 68 HA TYR 68 -11.639 4.756 15.795 536 HB2 TYR 68 2HB TYR 68 -9.714 2.660 16.591 537 HB3 TYR 68 3HB TYR 68 -11.463 2.718 16.783 538 HD1 TYR 68 HD1 TYR 68 -12.938 1.904 15.020 539 HD2 TYR 68 HD2 TYR 68 -8.708 1.707 14.604 540 HE1 TYR 68 HE1 TYR 68 -13.201 0.331 13.148 541 HE2 TYR 68 HE2 TYR 68 -8.959 0.134 12.730 542 HH TYR 68 HH TYR 68 -11.827 -1.456 12.038 543 H GLY 69 H GLY 69 -8.263 5.029 15.122 544 HA2 GLY 69 2HA GLY 69 -6.695 6.433 16.074 545 HA3 GLY 69 3HA GLY 69 -7.936 6.993 17.185 546 H LYS 70 H LYS 70 -8.318 3.953 17.755 547 HA LYS 70 HA LYS 70 -5.912 3.383 19.278 548 HB2 LYS 70 2HB LYS 70 -7.572 2.928 21.297 549 HB3 LYS 70 3HB LYS 70 -6.826 4.502 21.053 550 HG2 LYS 70 2HG LYS 70 -8.784 5.451 20.255 551 HG3 LYS 70 3HG LYS 70 -9.496 3.886 19.855 552 HD2 LYS 70 2HD LYS 70 -8.856 4.580 22.697 553 HD3 LYS 70 3HD LYS 70 -10.340 5.170 21.946 554 HE2 LYS 70 2HE LYS 70 -9.517 2.271 22.036 555 HE3 LYS 70 3HE LYS 70 -10.600 3.030 23.202 556 HZ1 LYS 70 3HZ LYS 70 -11.997 3.663 21.216 557 HZ2 LYS 70 1HZ LYS 70 -11.971 2.018 21.612 558 HZ3 LYS 70 2HZ LYS 70 -11.054 2.589 20.311 559 HA PRO 71 HA PRO 71 -6.964 -0.809 18.525 560 HB2 PRO 71 2HB PRO 71 -6.161 -2.047 20.803 561 HB3 PRO 71 3HB PRO 71 -5.028 -1.399 19.612 562 HG2 PRO 71 2HG PRO 71 -5.955 -0.199 22.192 563 HG3 PRO 71 3HG PRO 71 -4.320 -0.255 21.508 564 HD2 PRO 71 2HD PRO 71 -5.886 1.949 21.359 565 HD3 PRO 71 3HD PRO 71 -4.713 1.523 20.096 566 H ASN 72 H ASN 72 -8.574 -2.317 18.810 567 HA ASN 72 HA ASN 72 -10.674 -1.580 20.712 568 HB2 ASN 72 2HB ASN 72 -10.627 -2.701 18.026 569 HB3 ASN 72 3HB ASN 72 -11.654 -3.634 19.110 570 HD21 ASN 72 1HD2 ASN 72 -12.923 -2.010 20.647 571 HD22 ASN 72 2HD2 ASN 72 -13.800 -0.797 19.784 572 H LYS 73 H LYS 73 -9.202 -4.576 19.449 573 HA LYS 73 HA LYS 73 -9.603 -5.774 22.113 574 HB2 LYS 73 2HB LYS 73 -9.925 -7.925 21.055 575 HB3 LYS 73 3HB LYS 73 -11.058 -6.767 20.370 576 HG2 LYS 73 2HG LYS 73 -9.179 -6.476 18.563 577 HG3 LYS 73 3HG LYS 73 -8.697 -8.079 19.124 578 HD2 LYS 73 2HD LYS 73 -10.168 -8.488 17.342 579 HD3 LYS 73 3HD LYS 73 -11.143 -8.739 18.792 580 HE2 LYS 73 2HE LYS 73 -11.799 -6.264 18.512 581 HE3 LYS 73 3HE LYS 73 -11.172 -6.433 16.874 582 HZ1 LYS 73 3HZ LYS 73 -12.791 -7.998 16.338 583 HZ2 LYS 73 1HZ LYS 73 -13.640 -6.848 17.243 584 HZ3 LYS 73 2HZ LYS 73 -13.180 -8.312 17.954 585 H ARG 74 H ARG 74 -7.296 -4.286 21.243 586 HA ARG 74 HA ARG 74 -5.277 -6.432 21.175 587 HB2 ARG 74 2HB ARG 74 -5.226 -3.641 20.041 588 HB3 ARG 74 3HB ARG 74 -3.755 -4.570 20.295 589 HG2 ARG 74 2HG ARG 74 -6.057 -5.572 18.643 590 HG3 ARG 74 3HG ARG 74 -4.719 -4.635 17.974 591 HD2 ARG 74 2HD ARG 74 -4.530 -7.293 19.385 592 HD3 ARG 74 3HD ARG 74 -4.317 -7.002 17.659 593 HE ARG 74 HE ARG 74 -2.473 -5.397 18.932 594 HH11 ARG 74 1HH1 ARG 74 -3.173 -8.803 18.745 595 HH12 ARG 74 2HH1 ARG 74 -1.526 -9.287 18.981 596 HH21 ARG 74 1HH2 ARG 74 -0.302 -6.022 19.243 597 HH22 ARG 74 2HH2 ARG 74 0.106 -7.704 19.265 598 H LYS 75 H LYS 75 -4.118 -6.672 22.960 599 HA LYS 75 HA LYS 75 -4.432 -5.179 25.275 600 HB2 LYS 75 2HB LYS 75 -2.068 -6.862 24.425 601 HB3 LYS 75 3HB LYS 75 -2.354 -6.290 26.063 602 HG2 LYS 75 2HG LYS 75 -4.425 -7.918 24.652 603 HG3 LYS 75 3HG LYS 75 -3.038 -8.695 25.420 604 HD2 LYS 75 2HD LYS 75 -3.623 -7.624 27.546 605 HD3 LYS 75 3HD LYS 75 -5.012 -6.855 26.775 606 HE2 LYS 75 2HE LYS 75 -5.567 -9.361 26.122 607 HE3 LYS 75 3HE LYS 75 -4.589 -9.695 27.551 608 HZ1 LYS 75 3HZ LYS 75 -6.050 -8.372 28.878 609 HZ2 LYS 75 1HZ LYS 75 -6.991 -9.483 28.016 610 HZ3 LYS 75 2HZ LYS 75 -6.927 -7.867 27.522 611 H GLY 76 H GLY 76 -3.223 -3.580 26.298 612 HA2 GLY 76 2HA GLY 76 -1.438 -2.031 26.466 613 HA3 GLY 76 3HA GLY 76 -1.055 -2.328 24.777 614 H PHE 77 H PHE 77 -4.370 -1.911 25.321 615 HA PHE 77 HA PHE 77 -4.542 0.386 23.719 616 HB2 PHE 77 2HB PHE 77 -6.898 0.455 24.371 617 HB3 PHE 77 3HB PHE 77 -6.404 -1.198 24.020 618 HD1 PHE 77 HD1 PHE 77 -7.305 1.169 26.678 619 HD2 PHE 77 HD2 PHE 77 -6.387 -2.874 25.718 620 HE1 PHE 77 HE1 PHE 77 -8.131 0.461 28.885 621 HE2 PHE 77 HE2 PHE 77 -7.212 -3.589 27.922 622 HZ PHE 77 HZ PHE 77 -8.086 -1.921 29.509 623 H ASN 78 H ASN 78 -4.645 2.530 24.152 624 HA ASN 78 HA ASN 78 -4.268 4.480 25.265 625 HB2 ASN 78 2HB ASN 78 -6.359 3.121 26.598 626 HB3 ASN 78 3HB ASN 78 -5.333 3.815 27.851 627 HD21 ASN 78 1HD2 ASN 78 -4.493 6.129 26.862 628 HD22 ASN 78 2HD2 ASN 78 -5.817 7.179 26.502 629 H GLU 79 H GLU 79 -2.316 2.249 25.513 630 HA GLU 79 HA GLU 79 -1.142 2.740 28.142 631 HB2 GLU 79 2HB GLU 79 -1.334 0.423 27.030 632 HB3 GLU 79 3HB GLU 79 0.002 0.946 26.015 633 HG2 GLU 79 2HG GLU 79 0.706 -0.400 27.958 634 HG3 GLU 79 3HG GLU 79 1.430 1.207 27.917 635 H GLY 80 H GLY 80 -1.219 4.883 26.209 636 HA2 GLY 80 2HA GLY 80 0.588 6.549 26.260 637 HA3 GLY 80 3HA GLY 80 1.686 5.251 25.816 638 H LEU 81 H LEU 81 -1.463 5.498 24.358 639 HA LEU 81 HA LEU 81 -0.530 5.389 21.743 640 HB2 LEU 81 2HB LEU 81 -2.793 4.815 22.251 641 HB3 LEU 81 3HB LEU 81 -3.123 6.435 22.861 642 HG LEU 81 HG LEU 81 -2.428 6.994 20.303 643 HD11 LEU 81 1HD1 LEU 81 -2.548 4.282 20.203 644 HD12 LEU 81 2HD1 LEU 81 -2.829 5.353 18.831 645 HD13 LEU 81 3HD1 LEU 81 -4.195 4.723 19.750 646 HD21 LEU 81 3HD2 LEU 81 -4.566 7.713 20.123 647 HD22 LEU 81 1HD2 LEU 81 -4.581 7.358 21.851 648 HD23 LEU 81 2HD2 LEU 81 -5.245 6.192 20.705 649 H TRP 82 H TRP 82 -0.945 8.109 23.866 650 HA TRP 82 HA TRP 82 -0.967 10.161 21.927 651 HB2 TRP 82 2HB TRP 82 -1.668 10.774 24.095 652 HB3 TRP 82 3HB TRP 82 -0.231 10.085 24.846 653 HD1 TRP 82 HD1 TRP 82 -1.492 13.232 23.121 654 HE1 TRP 82 HE1 TRP 82 0.263 15.095 23.393 655 HE3 TRP 82 HE3 TRP 82 2.324 10.468 25.105 656 HZ2 TRP 82 HZ2 TRP 82 2.914 15.357 24.324 657 HZ3 TRP 82 HZ3 TRP 82 4.437 11.601 25.658 658 HH2 TRP 82 HH2 TRP 82 4.724 13.995 25.275 659 H GLU 83 H GLU 83 1.485 8.047 22.916 660 HA GLU 83 HA GLU 83 3.731 9.765 22.525 661 HB2 GLU 83 2HB GLU 83 3.413 6.775 22.691 662 HB3 GLU 83 3HB GLU 83 4.968 7.525 22.359 663 HG2 GLU 83 2HG GLU 83 5.045 8.555 24.465 664 HG3 GLU 83 3HG GLU 83 3.333 8.258 24.763 665 H ILE 84 H ILE 84 1.923 7.529 20.494 666 HA ILE 84 HA ILE 84 3.678 7.506 18.293 667 HB ILE 84 HB ILE 84 1.693 5.963 18.713 668 HG12 ILE 84 2HG1 ILE 84 2.111 7.201 15.985 669 HG13 ILE 84 3HG1 ILE 84 2.993 5.840 16.668 670 HG21 ILE 84 1HG2 ILE 84 -0.042 7.630 17.056 671 HG22 ILE 84 2HG2 ILE 84 -0.420 6.664 18.481 672 HG23 ILE 84 3HG2 ILE 84 0.250 8.284 18.667 673 HD11 ILE 84 3HD1 ILE 84 0.274 5.152 16.764 674 HD12 ILE 84 1HD1 ILE 84 0.565 5.852 15.172 675 HD13 ILE 84 2HD1 ILE 84 1.531 4.483 15.724 676 H ASP 85 H ASP 85 1.725 9.975 19.533 677 HA ASP 85 HA ASP 85 1.819 11.431 16.972 678 HB2 ASP 85 2HB ASP 85 -0.433 10.917 18.272 679 HB3 ASP 85 3HB ASP 85 0.053 12.328 19.207 680 H ASN 86 H ASN 86 3.544 11.124 19.651 681 HA ASN 86 HA ASN 86 4.477 13.884 19.540 682 HB2 ASN 86 2HB ASN 86 3.440 12.523 22.015 683 HB3 ASN 86 3HB ASN 86 4.639 13.808 22.121 684 HD21 ASN 86 1HD2 ASN 86 1.456 13.049 20.795 685 HD22 ASN 86 2HD2 ASN 86 0.819 14.649 20.939 686 H ASN 87 H ASN 87 5.040 11.045 21.626 687 HA ASN 87 HA ASN 87 7.888 11.197 20.893 688 HB2 ASN 87 2HB ASN 87 7.395 11.601 23.287 689 HB3 ASN 87 3HB ASN 87 6.651 10.008 23.386 690 HD21 ASN 87 1HD2 ASN 87 8.496 10.275 25.136 691 HD22 ASN 87 2HD2 ASN 87 9.990 9.533 24.684 692 HA PRO 88 HA PRO 88 6.275 7.255 19.061 693 HB2 PRO 88 2HB PRO 88 7.631 7.521 16.724 694 HB3 PRO 88 3HB PRO 88 6.039 8.239 16.998 695 HG2 PRO 88 2HG PRO 88 8.744 9.513 17.151 696 HG3 PRO 88 3HG PRO 88 7.251 10.142 16.431 697 HD2 PRO 88 2HD PRO 88 8.124 10.908 18.877 698 HD3 PRO 88 3HD PRO 88 6.399 10.805 18.467 699 H LYS 89 H LYS 89 9.257 8.557 19.995 700 HA LYS 89 HA LYS 89 10.575 5.943 19.646 701 HB2 LYS 89 2HB LYS 89 12.713 7.112 19.572 702 HB3 LYS 89 3HB LYS 89 11.641 7.712 18.313 703 HG2 LYS 89 2HG LYS 89 11.653 9.153 20.903 704 HG3 LYS 89 3HG LYS 89 13.064 9.327 19.856 705 HD2 LYS 89 2HD LYS 89 11.198 9.730 18.021 706 HD3 LYS 89 3HD LYS 89 10.255 10.212 19.433 707 HE2 LYS 89 2HE LYS 89 12.021 11.806 20.047 708 HE3 LYS 89 3HE LYS 89 12.933 11.336 18.614 709 HZ1 LYS 89 3HZ LYS 89 10.472 12.919 18.812 710 HZ2 LYS 89 1HZ LYS 89 10.723 11.987 17.422 711 HZ3 LYS 89 2HZ LYS 89 11.844 13.177 17.856 712 H VAL 90 H VAL 90 8.886 6.584 21.837 713 HA VAL 90 HA VAL 90 10.265 7.497 24.107 714 HB VAL 90 HB VAL 90 7.812 7.272 24.014 715 HG11 VAL 90 1HG1 VAL 90 8.458 4.583 23.303 716 HG12 VAL 90 2HG1 VAL 90 7.459 4.575 24.757 717 HG13 VAL 90 3HG1 VAL 90 6.888 5.386 23.298 718 HG21 VAL 90 3HG2 VAL 90 8.781 5.535 26.255 719 HG22 VAL 90 1HG2 VAL 90 9.230 7.238 26.166 720 HG23 VAL 90 2HG2 VAL 90 7.531 6.778 26.273 721 H LYS 91 H LYS 91 10.517 4.577 22.361 722 HA LYS 91 HA LYS 91 11.171 2.690 24.267 723 HB2 LYS 91 2HB LYS 91 12.489 1.582 22.522 724 HB3 LYS 91 3HB LYS 91 10.957 2.166 21.888 725 HG2 LYS 91 2HG LYS 91 12.269 2.914 20.220 726 HG3 LYS 91 3HG LYS 91 12.501 4.279 21.316 727 HD2 LYS 91 2HD LYS 91 14.576 3.399 22.095 728 HD3 LYS 91 3HD LYS 91 14.303 1.864 21.266 729 HE2 LYS 91 2HE LYS 91 15.701 2.848 19.761 730 HE3 LYS 91 3HE LYS 91 14.162 3.458 19.154 731 HZ1 LYS 91 3HZ LYS 91 14.717 5.538 19.669 732 HZ2 LYS 91 1HZ LYS 91 16.303 4.974 19.839 733 HZ3 LYS 91 2HZ LYS 91 15.306 5.116 21.198 734 H PHE 92 H PHE 92 13.028 5.411 23.138 735 HA PHE 92 HA PHE 92 15.597 4.714 23.870 736 HB2 PHE 92 2HB PHE 92 15.116 6.790 22.702 737 HB3 PHE 92 3HB PHE 92 14.240 7.408 24.098 738 HD1 PHE 92 HD2 PHE 92 17.608 6.143 23.135 739 HD2 PHE 92 HD1 PHE 92 15.337 8.770 25.595 740 HE1 PHE 92 HE2 PHE 92 19.690 7.131 23.996 741 HE2 PHE 92 HE1 PHE 92 17.415 9.763 26.460 742 HZ PHE 92 HZ PHE 92 19.596 8.942 25.662 743 H SER 93 H SER 93 16.065 3.704 25.727 744 HA SER 93 HA SER 93 14.818 4.546 28.218 745 HB2 SER 93 2HB SER 93 15.631 2.546 29.161 746 HB3 SER 93 3HB SER 93 15.221 2.101 27.505 747 HG SER 93 HG SER 93 17.543 1.829 28.704 Start of MODEL 18 1 H MET 1 H MET 1 3.007 1.774 -1.970 2 HA MET 1 HA MET 1 1.283 -0.147 -0.577 3 HB2 MET 1 2HB MET 1 1.023 0.400 -3.071 4 HB3 MET 1 3HB MET 1 2.501 -0.523 -3.305 5 HG2 MET 1 2HG MET 1 1.506 -2.518 -2.770 6 HG3 MET 1 3HG MET 1 0.249 -1.754 -1.799 7 HE1 MET 1 3HE MET 1 -1.645 -0.952 -2.321 8 HE2 MET 1 1HE MET 1 -2.063 -0.175 -3.849 9 HE3 MET 1 2HE MET 1 -2.605 -1.820 -3.520 10 H THR 2 H THR 2 4.289 -0.387 -2.484 11 HA THR 2 HA THR 2 5.290 -2.297 -0.474 12 HB THR 2 HB THR 2 4.895 -3.291 -2.717 13 HG1 THR 2 HG1 THR 2 7.604 -3.105 -1.848 14 HG21 THR 2 3HG2 THR 2 5.485 -2.202 -4.566 15 HG22 THR 2 1HG2 THR 2 7.178 -2.291 -4.082 16 HG23 THR 2 2HG2 THR 2 6.191 -0.915 -3.590 17 H ARG 3 H ARG 3 5.583 0.796 -1.190 18 HA ARG 3 HA ARG 3 8.386 1.148 -1.542 19 HB2 ARG 3 2HB ARG 3 6.490 3.170 -0.356 20 HB3 ARG 3 3HB ARG 3 7.980 3.471 -1.240 21 HG2 ARG 3 2HG ARG 3 5.430 2.348 -2.381 22 HG3 ARG 3 3HG ARG 3 6.052 3.984 -2.609 23 HD2 ARG 3 2HD ARG 3 8.164 2.760 -3.514 24 HD3 ARG 3 3HD ARG 3 7.064 1.396 -3.713 25 HE ARG 3 HE ARG 3 6.087 3.846 -4.854 26 HH11 ARG 3 1HH1 ARG 3 8.050 1.022 -5.387 27 HH12 ARG 3 2HH1 ARG 3 7.900 1.083 -7.112 28 HH21 ARG 3 1HH2 ARG 3 5.881 3.938 -7.123 29 HH22 ARG 3 2HH2 ARG 3 6.666 2.742 -8.099 30 H ASP 4 H ASP 4 9.974 1.630 -0.060 31 HA ASP 4 HA ASP 4 9.698 0.509 2.529 32 HB2 ASP 4 2HB ASP 4 11.991 1.241 2.893 33 HB3 ASP 4 3HB ASP 4 11.834 0.544 1.283 34 H PHE 5 H PHE 5 10.373 1.748 4.533 35 HA PHE 5 HA PHE 5 9.076 4.394 4.544 36 HB2 PHE 5 2HB PHE 5 8.831 2.073 6.405 37 HB3 PHE 5 3HB PHE 5 8.722 3.696 7.080 38 HD1 PHE 5 HD1 PHE 5 6.875 5.163 6.505 39 HD2 PHE 5 HD2 PHE 5 7.116 1.204 4.961 40 HE1 PHE 5 HE1 PHE 5 4.510 5.282 5.839 41 HE2 PHE 5 HE2 PHE 5 4.751 1.317 4.292 42 HZ PHE 5 HZ PHE 5 3.445 3.358 4.730 43 H LYS 6 H LYS 6 9.717 5.596 6.682 44 HA LYS 6 HA LYS 6 12.650 5.598 6.754 45 HB2 LYS 6 2HB LYS 6 10.546 7.668 7.140 46 HB3 LYS 6 3HB LYS 6 12.042 7.855 8.045 47 HG2 LYS 6 2HG LYS 6 13.229 7.565 5.804 48 HG3 LYS 6 3HG LYS 6 11.644 7.831 5.075 49 HD2 LYS 6 2HD LYS 6 12.691 9.746 7.121 50 HD3 LYS 6 3HD LYS 6 13.250 9.846 5.450 51 HE2 LYS 6 2HE LYS 6 11.028 10.197 4.652 52 HE3 LYS 6 3HE LYS 6 10.342 9.836 6.236 53 HZ1 LYS 6 3HZ LYS 6 10.684 11.912 6.925 54 HZ2 LYS 6 1HZ LYS 6 10.924 12.311 5.298 55 HZ3 LYS 6 2HZ LYS 6 12.251 11.979 6.292 56 HA PRO 7 HA PRO 7 12.928 4.250 10.919 57 HB2 PRO 7 2HB PRO 7 14.899 5.827 11.917 58 HB3 PRO 7 3HB PRO 7 15.203 4.527 10.760 59 HG2 PRO 7 2HG PRO 7 14.943 7.470 10.277 60 HG3 PRO 7 3HG PRO 7 16.114 6.324 9.599 61 HD2 PRO 7 2HD PRO 7 13.939 7.168 8.225 62 HD3 PRO 7 3HD PRO 7 14.627 5.545 8.020 63 H GLY 8 H GLY 8 11.377 4.615 12.378 64 HA2 GLY 8 2HA GLY 8 10.480 5.712 14.249 65 HA3 GLY 8 3HA GLY 8 11.313 7.180 13.760 66 H ASP 9 H ASP 9 9.386 5.357 11.503 67 HA ASP 9 HA ASP 9 7.602 7.646 11.228 68 HB2 ASP 9 2HB ASP 9 8.444 5.394 9.512 69 HB3 ASP 9 3HB ASP 9 6.766 5.895 9.327 70 H LEU 10 H LEU 10 5.418 7.598 11.571 71 HA LEU 10 HA LEU 10 4.449 5.515 13.322 72 HB2 LEU 10 2HB LEU 10 3.088 7.980 12.246 73 HB3 LEU 10 3HB LEU 10 2.431 6.910 13.483 74 HG LEU 10 HG LEU 10 3.248 8.737 14.677 75 HD11 LEU 10 1HD1 LEU 10 5.745 7.155 14.869 76 HD12 LEU 10 2HD1 LEU 10 4.227 6.320 15.197 77 HD13 LEU 10 3HD1 LEU 10 4.671 7.744 16.139 78 HD21 LEU 10 3HD2 LEU 10 4.692 9.362 12.511 79 HD22 LEU 10 1HD2 LEU 10 5.978 8.739 13.545 80 HD23 LEU 10 2HD2 LEU 10 4.974 10.080 14.098 81 H ILE 11 H ILE 11 3.652 3.691 12.528 82 HA ILE 11 HA ILE 11 1.675 3.801 10.398 83 HB ILE 11 HB ILE 11 2.740 1.969 9.127 84 HG12 ILE 11 2HG1 ILE 11 5.373 1.959 9.662 85 HG13 ILE 11 3HG1 ILE 11 4.762 2.271 11.283 86 HG21 ILE 11 1HG2 ILE 11 3.079 4.519 8.740 87 HG22 ILE 11 2HG2 ILE 11 4.735 4.188 9.242 88 HG23 ILE 11 3HG2 ILE 11 4.057 3.360 7.841 89 HD11 ILE 11 3HD1 ILE 11 3.172 0.219 10.507 90 HD12 ILE 11 1HD1 ILE 11 4.676 -0.167 9.671 91 HD13 ILE 11 2HD1 ILE 11 4.669 0.045 11.422 92 H PHE 12 H PHE 12 0.172 2.180 10.501 93 HA PHE 12 HA PHE 12 0.078 0.676 12.951 94 HB2 PHE 12 2HB PHE 12 -1.780 1.271 10.721 95 HB3 PHE 12 3HB PHE 12 -2.050 -0.247 11.571 96 HD1 PHE 12 HD2 PHE 12 -1.171 3.254 12.533 97 HD2 PHE 12 HD1 PHE 12 -3.669 -0.131 13.177 98 HE1 PHE 12 HE2 PHE 12 -2.353 4.469 14.317 99 HE2 PHE 12 HE1 PHE 12 -4.856 1.079 14.961 100 HZ PHE 12 HZ PHE 12 -4.197 3.382 15.534 101 H ALA 13 H ALA 13 1.167 -1.156 13.179 102 HA ALA 13 HA ALA 13 1.956 -2.751 10.914 103 HB1 ALA 13 1HB ALA 13 2.335 -3.950 13.549 104 HB2 ALA 13 2HB ALA 13 3.511 -3.595 12.282 105 HB3 ALA 13 3HB ALA 13 3.014 -2.328 13.404 106 H LYS 14 H LYS 14 1.145 -4.678 10.257 107 HA LYS 14 HA LYS 14 -1.231 -5.679 11.687 108 HB2 LYS 14 2HB LYS 14 -0.825 -4.974 8.910 109 HB3 LYS 14 3HB LYS 14 -1.320 -6.655 9.061 110 HG2 LYS 14 2HG LYS 14 -2.778 -4.301 10.246 111 HG3 LYS 14 3HG LYS 14 -3.221 -5.138 8.755 112 HD2 LYS 14 2HD LYS 14 -2.899 -7.054 10.853 113 HD3 LYS 14 3HD LYS 14 -3.978 -5.769 11.401 114 HE2 LYS 14 2HE LYS 14 -4.635 -6.472 8.710 115 HE3 LYS 14 3HE LYS 14 -4.567 -7.936 9.690 116 HZ1 LYS 14 3HZ LYS 14 -6.711 -6.374 9.525 117 HZ2 LYS 14 1HZ LYS 14 -5.963 -5.686 10.878 118 HZ3 LYS 14 2HZ LYS 14 -6.361 -7.329 10.876 119 H MET 15 H MET 15 -0.575 -7.397 12.831 120 HA MET 15 HA MET 15 1.478 -9.174 11.850 121 HB2 MET 15 2HB MET 15 -0.043 -8.842 14.381 122 HB3 MET 15 3HB MET 15 0.587 -10.446 14.033 123 HG2 MET 15 2HG MET 15 2.824 -9.623 13.932 124 HG3 MET 15 3HG MET 15 2.267 -7.954 14.028 125 HE1 MET 15 3HE MET 15 2.884 -11.235 15.569 126 HE2 MET 15 1HE MET 15 2.939 -10.970 17.312 127 HE3 MET 15 2HE MET 15 1.392 -11.245 16.511 128 H LYS 16 H LYS 16 1.229 -11.230 11.095 129 HA LYS 16 HA LYS 16 -1.040 -11.936 9.685 130 HB2 LYS 16 2HB LYS 16 1.233 -13.578 10.776 131 HB3 LYS 16 3HB LYS 16 -0.065 -14.317 9.848 132 HG2 LYS 16 2HG LYS 16 1.408 -11.965 8.744 133 HG3 LYS 16 3HG LYS 16 2.115 -13.580 8.658 134 HD2 LYS 16 2HD LYS 16 0.039 -14.369 7.543 135 HD3 LYS 16 3HD LYS 16 -0.546 -12.703 7.534 136 HE2 LYS 16 2HE LYS 16 2.120 -13.370 6.353 137 HE3 LYS 16 3HE LYS 16 0.647 -13.668 5.433 138 HZ1 LYS 16 3HZ LYS 16 1.906 -11.387 5.295 139 HZ2 LYS 16 1HZ LYS 16 0.986 -11.038 6.672 140 HZ3 LYS 16 2HZ LYS 16 0.218 -11.458 5.225 141 H GLY 17 H GLY 17 -3.020 -12.196 10.497 142 HA2 GLY 17 2HA GLY 17 -4.677 -13.440 11.587 143 HA3 GLY 17 3HA GLY 17 -3.429 -14.213 12.554 144 H TYR 18 H TYR 18 -3.467 -10.761 12.266 145 HA TYR 18 HA TYR 18 -4.885 -10.444 14.796 146 HB2 TYR 18 2HB TYR 18 -2.089 -9.361 14.396 147 HB3 TYR 18 3HB TYR 18 -3.088 -9.189 15.835 148 HD1 TYR 18 HD1 TYR 18 -1.181 -11.602 13.787 149 HD2 TYR 18 HD2 TYR 18 -3.193 -10.911 17.472 150 HE1 TYR 18 HE1 TYR 18 -0.218 -13.675 14.695 151 HE2 TYR 18 HE2 TYR 18 -2.235 -12.982 18.390 152 HH TYR 18 HH TYR 18 -1.337 -15.243 17.281 153 HA PRO 19 HA PRO 19 -6.380 -6.755 12.943 154 HB2 PRO 19 2HB PRO 19 -6.823 -5.219 15.137 155 HB3 PRO 19 3HB PRO 19 -7.836 -6.604 14.714 156 HG2 PRO 19 2HG PRO 19 -5.606 -6.427 16.702 157 HG3 PRO 19 3HG PRO 19 -7.184 -7.220 16.859 158 HD2 PRO 19 2HD PRO 19 -4.914 -8.588 16.303 159 HD3 PRO 19 3HD PRO 19 -6.504 -9.085 15.687 160 H HIS 20 H HIS 20 -6.066 -4.300 13.020 161 HA HIS 20 HA HIS 20 -3.294 -3.747 12.631 162 HB2 HIS 20 2HB HIS 20 -5.374 -1.594 12.817 163 HB3 HIS 20 3HB HIS 20 -3.968 -1.693 11.760 164 HD1 HIS 20 HD1 HIS 20 -4.200 -3.165 9.620 165 HD2 HIS 20 HD2 HIS 20 -7.688 -2.784 11.844 166 HE1 HIS 20 HE1 HIS 20 -6.046 -3.980 8.119 167 H TRP 21 H TRP 21 -1.940 -2.377 13.788 168 HA TRP 21 HA TRP 21 -2.875 -1.273 16.313 169 HB2 TRP 21 2HB TRP 21 -2.204 -3.520 16.958 170 HB3 TRP 21 3HB TRP 21 -0.651 -3.317 16.151 171 HD1 TRP 21 HD1 TRP 21 1.152 -1.703 17.352 172 HE1 TRP 21 HE1 TRP 21 1.406 -0.986 19.811 173 HE3 TRP 21 HE3 TRP 21 -3.503 -2.963 19.051 174 HZ2 TRP 21 HZ2 TRP 21 -0.159 -0.959 22.160 175 HZ3 TRP 21 HZ3 TRP 21 -4.044 -2.559 21.417 176 HH2 TRP 21 HH2 TRP 21 -2.405 -1.579 22.938 177 HA PRO 22 HA PRO 22 -0.109 1.926 15.058 178 HB2 PRO 22 2HB PRO 22 -0.005 3.287 17.405 179 HB3 PRO 22 3HB PRO 22 -1.408 3.330 16.331 180 HG2 PRO 22 2HG PRO 22 -0.967 1.706 18.807 181 HG3 PRO 22 3HG PRO 22 -2.418 2.583 18.288 182 HD2 PRO 22 2HD PRO 22 -2.147 -0.094 17.984 183 HD3 PRO 22 3HD PRO 22 -3.067 0.909 16.843 184 H ALA 23 H ALA 23 2.010 1.669 14.780 185 HA ALA 23 HA ALA 23 3.724 1.248 17.105 186 HB1 ALA 23 1HB ALA 23 5.019 -0.481 15.731 187 HB2 ALA 23 2HB ALA 23 3.504 -0.993 16.477 188 HB3 ALA 23 3HB ALA 23 3.555 -0.610 14.756 189 H ARG 24 H ARG 24 6.143 1.073 16.067 190 HA ARG 24 HA ARG 24 6.377 3.290 14.144 191 HB2 ARG 24 2HB ARG 24 8.348 4.091 15.378 192 HB3 ARG 24 3HB ARG 24 6.897 4.128 16.372 193 HG2 ARG 24 2HG ARG 24 8.279 3.194 17.885 194 HG3 ARG 24 3HG ARG 24 7.819 1.710 17.047 195 HD2 ARG 24 2HD ARG 24 10.236 1.833 17.367 196 HD3 ARG 24 3HD ARG 24 9.815 1.869 15.655 197 HE ARG 24 HE ARG 24 10.775 3.932 15.521 198 HH11 ARG 24 1HH1 ARG 24 10.016 3.274 18.854 199 HH12 ARG 24 2HH1 ARG 24 10.781 4.711 19.448 200 HH21 ARG 24 1HH2 ARG 24 11.786 5.826 16.290 201 HH22 ARG 24 2HH2 ARG 24 11.787 6.162 17.988 202 H VAL 25 H VAL 25 8.651 3.390 13.199 203 HA VAL 25 HA VAL 25 9.454 0.656 12.480 204 HB VAL 25 HB VAL 25 10.004 3.247 11.025 205 HG11 VAL 25 1HG1 VAL 25 10.653 1.662 9.169 206 HG12 VAL 25 2HG1 VAL 25 11.768 1.744 10.535 207 HG13 VAL 25 3HG1 VAL 25 10.658 0.381 10.381 208 HG21 VAL 25 3HG2 VAL 25 8.457 1.636 9.405 209 HG22 VAL 25 1HG2 VAL 25 7.746 1.417 11.004 210 HG23 VAL 25 2HG2 VAL 25 7.896 3.036 10.320 211 H ASP 26 H ASP 26 11.567 -0.013 12.604 212 HA ASP 26 HA ASP 26 13.337 1.700 14.205 213 HB2 ASP 26 2HB ASP 26 12.584 -0.810 14.759 214 HB3 ASP 26 3HB ASP 26 13.988 -1.166 13.756 215 H GLU 27 H GLU 27 15.668 1.582 13.741 216 HA GLU 27 HA GLU 27 16.175 2.104 10.994 217 HB2 GLU 27 2HB GLU 27 17.873 1.956 13.460 218 HB3 GLU 27 3HB GLU 27 18.633 2.067 11.879 219 HG2 GLU 27 2HG GLU 27 17.717 4.180 11.460 220 HG3 GLU 27 3HG GLU 27 16.538 4.020 12.760 221 H VAL 28 H VAL 28 18.371 1.062 10.114 222 HA VAL 28 HA VAL 28 17.817 -1.812 9.969 223 HB VAL 28 HB VAL 28 19.363 -1.740 7.982 224 HG11 VAL 28 1HG1 VAL 28 17.231 -1.809 7.224 225 HG12 VAL 28 2HG1 VAL 28 16.724 -0.425 8.194 226 HG13 VAL 28 3HG1 VAL 28 17.616 -0.172 6.693 227 HG21 VAL 28 3HG2 VAL 28 19.078 1.072 7.474 228 HG22 VAL 28 1HG2 VAL 28 19.943 0.812 8.989 229 HG23 VAL 28 2HG2 VAL 28 20.539 0.084 7.497 230 HA PRO 29 HA PRO 29 21.443 -3.000 12.141 231 HB2 PRO 29 2HB PRO 29 22.121 -5.277 10.829 232 HB3 PRO 29 3HB PRO 29 20.726 -5.170 11.909 233 HG2 PRO 29 2HG PRO 29 20.823 -5.021 8.921 234 HG3 PRO 29 3HG PRO 29 19.676 -5.885 9.961 235 HD2 PRO 29 2HD PRO 29 19.096 -3.500 8.819 236 HD3 PRO 29 3HD PRO 29 18.448 -3.984 10.399 237 H ASP 30 H ASP 30 23.768 -3.781 11.729 238 HA ASP 30 HA ASP 30 25.129 -1.838 10.233 239 HB2 ASP 30 2HB ASP 30 26.122 -4.500 11.273 240 HB3 ASP 30 3HB ASP 30 27.152 -3.201 10.679 241 H GLY 31 H GLY 31 23.720 -4.816 9.292 242 HA2 GLY 31 2HA GLY 31 23.412 -4.956 6.817 243 HA3 GLY 31 3HA GLY 31 25.143 -4.673 6.705 244 H ALA 32 H ALA 32 25.640 -6.397 9.077 245 HA ALA 32 HA ALA 32 25.099 -9.020 7.846 246 HB1 ALA 32 1HB ALA 32 27.265 -9.492 7.696 247 HB2 ALA 32 2HB ALA 32 27.590 -7.799 8.069 248 HB3 ALA 32 3HB ALA 32 27.554 -8.996 9.364 249 H VAL 33 H VAL 33 23.871 -7.434 10.115 250 HA VAL 33 HA VAL 33 24.439 -9.211 12.374 251 HB VAL 33 HB VAL 33 22.577 -6.850 12.449 252 HG11 VAL 33 1HG1 VAL 33 22.371 -7.432 14.580 253 HG12 VAL 33 2HG1 VAL 33 23.471 -8.788 14.327 254 HG13 VAL 33 3HG1 VAL 33 24.106 -7.214 14.808 255 HG21 VAL 33 3HG2 VAL 33 24.643 -5.639 13.393 256 HG22 VAL 33 1HG2 VAL 33 25.573 -6.879 12.552 257 HG23 VAL 33 2HG2 VAL 33 24.504 -5.811 11.644 258 H LYS 34 H LYS 34 23.052 -10.284 10.137 259 HA LYS 34 HA LYS 34 21.251 -11.585 9.653 260 HB2 LYS 34 2HB LYS 34 21.775 -12.210 12.139 261 HB3 LYS 34 3HB LYS 34 20.288 -11.335 12.480 262 HG2 LYS 34 2HG LYS 34 19.598 -13.541 12.288 263 HG3 LYS 34 3HG LYS 34 19.222 -12.852 10.707 264 HD2 LYS 34 2HD LYS 34 21.256 -13.804 9.782 265 HD3 LYS 34 3HD LYS 34 21.708 -14.431 11.369 266 HE2 LYS 34 2HE LYS 34 20.777 -16.281 10.321 267 HE3 LYS 34 3HE LYS 34 19.436 -15.653 11.278 268 HZ1 LYS 34 3HZ LYS 34 19.138 -16.272 8.764 269 HZ2 LYS 34 1HZ LYS 34 19.730 -14.706 8.523 270 HZ3 LYS 34 2HZ LYS 34 18.327 -14.948 9.436 271 HA PRO 35 HA PRO 35 18.595 -7.748 9.554 272 HB2 PRO 35 2HB PRO 35 18.536 -7.552 6.847 273 HB3 PRO 35 3HB PRO 35 19.804 -6.817 7.835 274 HG2 PRO 35 2HG PRO 35 19.850 -9.387 6.301 275 HG3 PRO 35 3HG PRO 35 21.102 -8.137 6.429 276 HD2 PRO 35 2HD PRO 35 21.186 -10.435 7.860 277 HD3 PRO 35 3HD PRO 35 21.833 -8.901 8.477 278 HA PRO 36 HA PRO 36 14.834 -9.846 8.669 279 HB2 PRO 36 2HB PRO 36 13.330 -7.915 7.495 280 HB3 PRO 36 3HB PRO 36 13.725 -7.910 9.218 281 HG2 PRO 36 2HG PRO 36 15.001 -6.389 6.977 282 HG3 PRO 36 3HG PRO 36 14.565 -5.831 8.603 283 HD2 PRO 36 2HD PRO 36 17.097 -6.511 7.926 284 HD3 PRO 36 3HD PRO 36 16.448 -6.752 9.561 285 H THR 37 H THR 37 13.665 -10.911 7.070 286 HA THR 37 HA THR 37 14.922 -10.909 4.435 287 HB THR 37 HB THR 37 12.910 -12.819 5.641 288 HG1 THR 37 HG1 THR 37 14.929 -14.190 5.413 289 HG21 THR 37 3HG2 THR 37 12.589 -13.627 3.592 290 HG22 THR 37 1HG2 THR 37 14.317 -13.944 3.450 291 HG23 THR 37 2HG2 THR 37 13.658 -12.395 2.924 292 H ASN 38 H ASN 38 14.089 -9.236 3.276 293 HA ASN 38 HA ASN 38 12.607 -8.032 2.040 294 HB2 ASN 38 2HB ASN 38 11.310 -10.721 2.210 295 HB3 ASN 38 3HB ASN 38 10.393 -9.383 1.523 296 HD21 ASN 38 1HD2 ASN 38 13.403 -11.187 1.251 297 HD22 ASN 38 2HD2 ASN 38 13.629 -10.907 -0.439 298 H LYS 39 H LYS 39 12.522 -7.943 4.996 299 HA LYS 39 HA LYS 39 9.939 -6.596 5.225 300 HB2 LYS 39 2HB LYS 39 10.947 -8.636 7.216 301 HB3 LYS 39 3HB LYS 39 9.549 -7.598 7.457 302 HG2 LYS 39 2HG LYS 39 8.488 -8.636 5.479 303 HG3 LYS 39 3HG LYS 39 9.864 -9.736 5.361 304 HD2 LYS 39 2HD LYS 39 9.264 -10.199 7.890 305 HD3 LYS 39 3HD LYS 39 7.673 -9.633 7.376 306 HE2 LYS 39 2HE LYS 39 9.248 -11.895 6.149 307 HE3 LYS 39 3HE LYS 39 7.834 -12.055 7.190 308 HZ1 LYS 39 3HZ LYS 39 7.055 -12.284 5.005 309 HZ2 LYS 39 1HZ LYS 39 7.958 -10.971 4.439 310 HZ3 LYS 39 2HZ LYS 39 6.628 -10.709 5.450 311 H LEU 40 H LEU 40 9.884 -5.499 7.532 312 HA LEU 40 HA LEU 40 12.549 -4.423 8.147 313 HB2 LEU 40 2HB LEU 40 11.194 -2.217 8.545 314 HB3 LEU 40 3HB LEU 40 11.792 -2.641 6.942 315 HG LEU 40 HG LEU 40 9.025 -3.460 7.674 316 HD11 LEU 40 1HD1 LEU 40 8.666 -1.008 6.497 317 HD12 LEU 40 2HD1 LEU 40 9.972 -0.705 7.642 318 HD13 LEU 40 3HD1 LEU 40 8.441 -1.374 8.208 319 HD21 LEU 40 3HD2 LEU 40 10.528 -3.704 5.434 320 HD22 LEU 40 1HD2 LEU 40 9.671 -2.199 5.099 321 HD23 LEU 40 2HD2 LEU 40 8.764 -3.670 5.451 322 HA PRO 41 HA PRO 41 11.527 -4.923 12.384 323 HB2 PRO 41 2HB PRO 41 12.711 -2.760 13.520 324 HB3 PRO 41 3HB PRO 41 13.626 -4.131 12.882 325 HG2 PRO 41 2HG PRO 41 13.065 -1.475 11.619 326 HG3 PRO 41 3HG PRO 41 14.577 -2.401 11.653 327 HD2 PRO 41 2HD PRO 41 12.934 -2.373 9.501 328 HD3 PRO 41 3HD PRO 41 13.913 -3.789 9.936 329 H ILE 42 H ILE 42 9.610 -4.656 13.321 330 HA ILE 42 HA ILE 42 8.383 -1.975 13.282 331 HB ILE 42 HB ILE 42 6.859 -4.577 13.360 332 HG12 ILE 42 2HG1 ILE 42 8.045 -4.432 11.232 333 HG13 ILE 42 3HG1 ILE 42 6.324 -4.152 10.985 334 HG21 ILE 42 1HG2 ILE 42 5.321 -2.484 12.308 335 HG22 ILE 42 2HG2 ILE 42 5.153 -3.257 13.884 336 HG23 ILE 42 3HG2 ILE 42 6.155 -1.816 13.711 337 HD11 ILE 42 3HD1 ILE 42 7.604 -1.653 11.449 338 HD12 ILE 42 1HD1 ILE 42 8.489 -2.534 10.205 339 HD13 ILE 42 2HD1 ILE 42 6.764 -2.223 10.007 340 H PHE 43 H PHE 43 8.851 -1.214 15.273 341 HA PHE 43 HA PHE 43 8.767 -2.885 17.611 342 HB2 PHE 43 2HB PHE 43 10.333 -0.940 17.318 343 HB3 PHE 43 3HB PHE 43 8.945 0.129 17.489 344 HD1 PHE 43 HD1 PHE 43 10.178 -2.893 19.305 345 HD2 PHE 43 HD2 PHE 43 8.888 1.157 19.531 346 HE1 PHE 43 HE1 PHE 43 10.443 -2.949 21.750 347 HE2 PHE 43 HE2 PHE 43 9.152 1.108 21.976 348 HZ PHE 43 HZ PHE 43 9.931 -0.946 23.089 349 H PHE 44 H PHE 44 6.853 -3.568 18.330 350 HA PHE 44 HA PHE 44 4.427 -2.113 17.943 351 HB2 PHE 44 2HB PHE 44 5.215 -4.683 19.200 352 HB3 PHE 44 3HB PHE 44 3.719 -3.953 19.771 353 HD1 PHE 44 HD1 PHE 44 5.462 -5.283 16.810 354 HD2 PHE 44 HD2 PHE 44 1.760 -3.962 18.443 355 HE1 PHE 44 HE1 PHE 44 4.278 -6.200 14.858 356 HE2 PHE 44 HE2 PHE 44 0.570 -4.878 16.494 357 HZ PHE 44 HZ PHE 44 1.829 -5.999 14.699 358 H PHE 45 H PHE 45 3.764 -0.435 19.091 359 HA PHE 45 HA PHE 45 5.020 0.268 21.579 360 HB2 PHE 45 2HB PHE 45 3.058 1.525 19.732 361 HB3 PHE 45 3HB PHE 45 3.026 2.051 21.412 362 HD1 PHE 45 HD2 PHE 45 5.784 2.086 22.211 363 HD2 PHE 45 HD1 PHE 45 4.055 3.167 18.474 364 HE1 PHE 45 HE2 PHE 45 7.678 3.594 21.775 365 HE2 PHE 45 HE1 PHE 45 5.948 4.675 18.031 366 HZ PHE 45 HZ PHE 45 7.762 4.891 19.683 367 H GLY 46 H GLY 46 4.063 0.399 23.616 368 HA2 GLY 46 2HA GLY 46 2.361 0.087 25.207 369 HA3 GLY 46 3HA GLY 46 1.368 -0.662 23.965 370 H THR 47 H THR 47 3.323 -2.540 23.059 371 HA THR 47 HA THR 47 3.366 -4.346 25.387 372 HB THR 47 HB THR 47 3.120 -6.211 23.918 373 HG1 THR 47 HG1 THR 47 3.781 -4.322 21.950 374 HG21 THR 47 3HG2 THR 47 0.975 -5.741 22.825 375 HG22 THR 47 1HG2 THR 47 1.257 -4.011 23.014 376 HG23 THR 47 2HG2 THR 47 1.041 -5.029 24.437 377 H HIS 48 H HIS 48 5.337 -2.497 23.502 378 HA HIS 48 HA HIS 48 7.565 -2.466 23.015 379 HB2 HIS 48 2HB HIS 48 7.495 -4.036 25.586 380 HB3 HIS 48 3HB HIS 48 9.011 -3.601 24.802 381 HD1 HIS 48 HD1 HIS 48 7.838 -0.704 23.935 382 HD2 HIS 48 HD2 HIS 48 8.008 -2.337 27.751 383 HE1 HIS 48 HE1 HIS 48 7.798 1.258 25.508 384 H GLU 49 H GLU 49 5.984 -4.557 21.760 385 HA GLU 49 HA GLU 49 7.798 -6.836 21.624 386 HB2 GLU 49 2HB GLU 49 5.120 -6.329 20.319 387 HB3 GLU 49 3HB GLU 49 6.057 -7.805 20.127 388 HG2 GLU 49 2HG GLU 49 5.839 -8.316 22.458 389 HG3 GLU 49 3HG GLU 49 5.062 -6.765 22.768 390 H THR 50 H THR 50 8.019 -7.734 19.264 391 HA THR 50 HA THR 50 8.454 -5.623 17.305 392 HB THR 50 HB THR 50 10.593 -5.541 18.294 393 HG1 THR 50 HG1 THR 50 10.776 -5.744 16.054 394 HG21 THR 50 3HG2 THR 50 11.036 -7.240 19.707 395 HG22 THR 50 1HG2 THR 50 11.793 -7.985 18.300 396 HG23 THR 50 2HG2 THR 50 10.139 -8.410 18.740 397 H ALA 51 H ALA 51 7.787 -6.307 15.383 398 HA ALA 51 HA ALA 51 8.041 -9.156 14.712 399 HB1 ALA 51 1HB ALA 51 5.672 -8.285 15.488 400 HB2 ALA 51 2HB ALA 51 5.591 -7.733 13.814 401 HB3 ALA 51 3HB ALA 51 5.843 -9.442 14.168 402 H PHE 52 H PHE 52 8.622 -9.580 12.640 403 HA PHE 52 HA PHE 52 9.383 -7.301 11.004 404 HB2 PHE 52 2HB PHE 52 9.982 -10.247 10.899 405 HB3 PHE 52 3HB PHE 52 10.360 -9.193 9.540 406 HD1 PHE 52 HD1 PHE 52 11.463 -6.836 10.562 407 HD2 PHE 52 HD2 PHE 52 11.838 -10.780 12.120 408 HE1 PHE 52 HE1 PHE 52 13.583 -6.205 11.641 409 HE2 PHE 52 HE2 PHE 52 13.957 -10.155 13.202 410 HZ PHE 52 HZ PHE 52 14.832 -7.865 12.964 411 H LEU 53 H LEU 53 7.911 -6.477 9.676 412 HA LEU 53 HA LEU 53 6.315 -8.322 8.041 413 HB2 LEU 53 2HB LEU 53 5.186 -5.771 9.156 414 HB3 LEU 53 3HB LEU 53 4.329 -7.079 8.343 415 HG LEU 53 HG LEU 53 5.650 -7.434 11.022 416 HD11 LEU 53 1HD1 LEU 53 2.804 -7.252 11.195 417 HD12 LEU 53 2HD1 LEU 53 3.443 -5.780 10.465 418 HD13 LEU 53 3HD1 LEU 53 4.035 -6.311 12.039 419 HD21 LEU 53 3HD2 LEU 53 5.197 -9.548 10.328 420 HD22 LEU 53 1HD2 LEU 53 3.902 -9.036 9.246 421 HD23 LEU 53 2HD2 LEU 53 3.609 -9.145 10.981 422 H GLY 54 H GLY 54 6.407 -7.880 5.932 423 HA2 GLY 54 2HA GLY 54 8.088 -5.966 4.835 424 HA3 GLY 54 3HA GLY 54 6.793 -6.770 3.960 425 HA PRO 55 HA PRO 55 5.968 -2.152 4.405 426 HB2 PRO 55 2HB PRO 55 6.032 -1.566 1.755 427 HB3 PRO 55 3HB PRO 55 7.467 -1.512 2.786 428 HG2 PRO 55 2HG PRO 55 6.561 -3.663 0.911 429 HG3 PRO 55 3HG PRO 55 8.191 -3.011 1.161 430 HD2 PRO 55 2HD PRO 55 7.372 -5.348 2.257 431 HD3 PRO 55 3HD PRO 55 8.543 -4.277 3.055 432 H LYS 56 H LYS 56 4.858 -4.526 2.018 433 HA LYS 56 HA LYS 56 2.368 -3.258 1.501 434 HB2 LYS 56 2HB LYS 56 3.074 -6.175 1.140 435 HB3 LYS 56 3HB LYS 56 1.766 -5.304 0.350 436 HG2 LYS 56 2HG LYS 56 3.710 -3.792 -0.533 437 HG3 LYS 56 3HG LYS 56 4.696 -5.211 -0.172 438 HD2 LYS 56 2HD LYS 56 2.178 -5.409 -1.797 439 HD3 LYS 56 3HD LYS 56 3.729 -5.002 -2.535 440 HE2 LYS 56 2HE LYS 56 4.600 -7.113 -1.342 441 HE3 LYS 56 3HE LYS 56 2.898 -7.535 -1.159 442 HZ1 LYS 56 3HZ LYS 56 4.423 -8.123 -3.307 443 HZ2 LYS 56 1HZ LYS 56 3.613 -6.732 -3.828 444 HZ3 LYS 56 2HZ LYS 56 2.732 -8.076 -3.303 445 H ASP 57 H ASP 57 3.517 -4.939 4.173 446 HA ASP 57 HA ASP 57 0.879 -5.903 4.983 447 HB2 ASP 57 2HB ASP 57 3.677 -6.427 5.856 448 HB3 ASP 57 3HB ASP 57 2.405 -6.589 7.063 449 H ILE 58 H ILE 58 3.143 -3.357 5.606 450 HA ILE 58 HA ILE 58 1.660 -2.491 7.978 451 HB ILE 58 HB ILE 58 3.469 -0.770 8.180 452 HG12 ILE 58 2HG1 ILE 58 4.804 -2.394 6.004 453 HG13 ILE 58 3HG1 ILE 58 4.099 -0.798 5.764 454 HG21 ILE 58 1HG2 ILE 58 3.713 -3.658 8.498 455 HG22 ILE 58 2HG2 ILE 58 5.266 -2.828 8.418 456 HG23 ILE 58 3HG2 ILE 58 4.077 -2.357 9.632 457 HD11 ILE 58 3HD1 ILE 58 5.686 0.048 7.511 458 HD12 ILE 58 1HD1 ILE 58 6.474 -1.528 7.450 459 HD13 ILE 58 2HD1 ILE 58 6.430 -0.507 6.012 460 H PHE 59 H PHE 59 0.407 -0.707 8.026 461 HA PHE 59 HA PHE 59 0.216 0.872 5.544 462 HB2 PHE 59 2HB PHE 59 -1.856 -0.360 7.257 463 HB3 PHE 59 3HB PHE 59 -2.200 1.276 6.704 464 HD1 PHE 59 HD1 PHE 59 -1.042 -2.015 5.394 465 HD2 PHE 59 HD2 PHE 59 -3.227 1.565 4.667 466 HE1 PHE 59 HE1 PHE 59 -1.780 -2.910 3.223 467 HE2 PHE 59 HE2 PHE 59 -3.969 0.675 2.496 468 HZ PHE 59 HZ PHE 59 -3.246 -1.565 1.772 469 HA PRO 60 HA PRO 60 0.929 4.576 7.781 470 HB2 PRO 60 2HB PRO 60 -0.846 6.305 6.671 471 HB3 PRO 60 3HB PRO 60 0.590 5.725 5.820 472 HG2 PRO 60 2HG PRO 60 -2.245 4.788 5.608 473 HG3 PRO 60 3HG PRO 60 -1.062 5.074 4.319 474 HD2 PRO 60 2HD PRO 60 -1.623 2.597 5.258 475 HD3 PRO 60 3HD PRO 60 -0.014 3.049 4.658 476 H TYR 61 H TYR 61 0.393 5.278 9.751 477 HA TYR 61 HA TYR 61 -1.945 4.423 11.069 478 HB2 TYR 61 2HB TYR 61 -0.976 5.255 12.948 479 HB3 TYR 61 3HB TYR 61 0.447 5.336 11.915 480 HD1 TYR 61 HD1 TYR 61 0.871 7.559 10.681 481 HD2 TYR 61 HD2 TYR 61 -1.778 7.181 13.989 482 HE1 TYR 61 HE1 TYR 61 1.023 9.983 11.072 483 HE2 TYR 61 HE2 TYR 61 -1.634 9.604 14.388 484 HH TYR 61 HH TYR 61 0.678 11.521 13.249 485 H SER 62 H SER 62 -1.398 7.015 8.957 486 HA SER 62 HA SER 62 -3.233 8.908 10.001 487 HB2 SER 62 2HB SER 62 -1.376 9.177 8.175 488 HB3 SER 62 3HB SER 62 -2.655 8.686 7.064 489 HG SER 62 HG SER 62 -2.242 11.079 7.890 490 H GLU 63 H GLU 63 -3.640 5.944 8.355 491 HA GLU 63 HA GLU 63 -6.347 6.618 7.477 492 HB2 GLU 63 2HB GLU 63 -4.481 5.188 6.201 493 HB3 GLU 63 3HB GLU 63 -5.239 3.885 7.106 494 HG2 GLU 63 2HG GLU 63 -6.467 3.819 5.193 495 HG3 GLU 63 3HG GLU 63 -7.446 4.929 6.150 496 H ASN 64 H ASN 64 -4.620 4.593 9.766 497 HA ASN 64 HA ASN 64 -6.993 3.231 10.665 498 HB2 ASN 64 2HB ASN 64 -4.216 3.342 11.864 499 HB3 ASN 64 3HB ASN 64 -5.506 2.259 12.379 500 HD21 ASN 64 1HD2 ASN 64 -3.420 3.117 9.686 501 HD22 ASN 64 2HD2 ASN 64 -3.459 1.568 8.922 502 H LYS 65 H LYS 65 -4.924 5.845 11.844 503 HA LYS 65 HA LYS 65 -6.055 6.219 14.356 504 HB2 LYS 65 2HB LYS 65 -5.040 8.359 14.368 505 HB3 LYS 65 3HB LYS 65 -3.992 7.338 13.392 506 HG2 LYS 65 2HG LYS 65 -4.979 8.274 11.358 507 HG3 LYS 65 3HG LYS 65 -6.017 9.306 12.344 508 HD2 LYS 65 2HD LYS 65 -3.766 10.092 13.397 509 HD3 LYS 65 3HD LYS 65 -3.060 9.441 11.916 510 HE2 LYS 65 2HE LYS 65 -4.838 10.849 10.702 511 HE3 LYS 65 3HE LYS 65 -5.019 11.690 12.241 512 HZ1 LYS 65 3HZ LYS 65 -3.447 12.812 10.786 513 HZ2 LYS 65 1HZ LYS 65 -2.485 11.422 10.714 514 HZ3 LYS 65 2HZ LYS 65 -2.673 12.246 12.179 515 H GLU 66 H GLU 66 -7.289 6.995 11.216 516 HA GLU 66 HA GLU 66 -9.322 8.792 12.238 517 HB2 GLU 66 2HB GLU 66 -8.235 9.107 10.001 518 HB3 GLU 66 3HB GLU 66 -9.047 7.646 9.457 519 HG2 GLU 66 2HG GLU 66 -11.188 8.646 9.696 520 HG3 GLU 66 3HG GLU 66 -10.507 10.044 10.527 521 H LYS 67 H LYS 67 -8.932 5.445 11.690 522 HA LYS 67 HA LYS 67 -11.684 4.796 11.258 523 HB2 LYS 67 2HB LYS 67 -9.289 3.138 12.047 524 HB3 LYS 67 3HB LYS 67 -10.893 2.453 11.819 525 HG2 LYS 67 2HG LYS 67 -9.657 4.080 9.644 526 HG3 LYS 67 3HG LYS 67 -9.166 2.401 9.881 527 HD2 LYS 67 2HD LYS 67 -12.076 3.004 9.804 528 HD3 LYS 67 3HD LYS 67 -11.179 3.066 8.285 529 HE2 LYS 67 2HE LYS 67 -10.803 0.717 10.077 530 HE3 LYS 67 3HE LYS 67 -12.289 0.831 9.135 531 HZ1 LYS 67 3HZ LYS 67 -10.393 1.395 7.305 532 HZ2 LYS 67 1HZ LYS 67 -11.083 -0.132 7.540 533 HZ3 LYS 67 2HZ LYS 67 -9.604 0.249 8.267 534 H TYR 68 H TYR 68 -9.532 4.119 14.025 535 HA TYR 68 HA TYR 68 -11.829 4.559 15.808 536 HB2 TYR 68 2HB TYR 68 -9.900 2.484 16.650 537 HB3 TYR 68 3HB TYR 68 -11.650 2.538 16.831 538 HD1 TYR 68 HD2 TYR 68 -13.111 1.716 15.050 539 HD2 TYR 68 HD1 TYR 68 -8.877 1.484 14.704 540 HE1 TYR 68 HE2 TYR 68 -13.356 0.114 13.200 541 HE2 TYR 68 HE1 TYR 68 -9.110 -0.118 12.852 542 HH TYR 68 HH TYR 68 -11.084 -1.862 12.164 543 H GLY 69 H GLY 69 -8.431 4.796 15.186 544 HA2 GLY 69 2HA GLY 69 -6.865 6.201 16.135 545 HA3 GLY 69 3HA GLY 69 -8.129 6.829 17.182 546 H LYS 70 H LYS 70 -8.573 3.811 17.852 547 HA LYS 70 HA LYS 70 -6.230 3.283 19.488 548 HB2 LYS 70 2HB LYS 70 -7.241 3.425 21.573 549 HB3 LYS 70 3HB LYS 70 -7.921 4.815 20.736 550 HG2 LYS 70 2HG LYS 70 -9.270 2.144 21.074 551 HG3 LYS 70 3HG LYS 70 -9.609 3.599 22.014 552 HD2 LYS 70 2HD LYS 70 -10.179 4.743 19.852 553 HD3 LYS 70 3HD LYS 70 -10.052 3.169 19.063 554 HE2 LYS 70 2HE LYS 70 -11.866 2.298 20.316 555 HE3 LYS 70 3HE LYS 70 -11.859 3.676 21.415 556 HZ1 LYS 70 3HZ LYS 70 -13.481 4.428 20.095 557 HZ2 LYS 70 1HZ LYS 70 -13.075 3.403 18.812 558 HZ3 LYS 70 2HZ LYS 70 -12.238 4.856 19.031 559 HA PRO 71 HA PRO 71 -7.273 -0.918 18.769 560 HB2 PRO 71 2HB PRO 71 -6.422 -2.110 21.055 561 HB3 PRO 71 3HB PRO 71 -5.314 -1.479 19.830 562 HG2 PRO 71 2HG PRO 71 -6.200 -0.235 22.405 563 HG3 PRO 71 3HG PRO 71 -4.578 -0.296 21.692 564 HD2 PRO 71 2HD PRO 71 -6.158 1.897 21.531 565 HD3 PRO 71 3HD PRO 71 -5.007 1.454 20.255 566 H ASN 72 H ASN 72 -8.872 -2.425 19.109 567 HA ASN 72 HA ASN 72 -10.944 -1.663 21.030 568 HB2 ASN 72 2HB ASN 72 -10.922 -2.906 18.382 569 HB3 ASN 72 3HB ASN 72 -11.976 -3.735 19.523 570 HD21 ASN 72 1HD2 ASN 72 -13.107 -1.900 20.995 571 HD22 ASN 72 2HD2 ASN 72 -13.973 -0.741 20.050 572 H LYS 73 H LYS 73 -9.458 -4.674 19.821 573 HA LYS 73 HA LYS 73 -9.818 -5.812 22.517 574 HB2 LYS 73 2HB LYS 73 -9.880 -8.047 21.318 575 HB3 LYS 73 3HB LYS 73 -11.284 -7.011 21.095 576 HG2 LYS 73 2HG LYS 73 -9.099 -6.819 19.099 577 HG3 LYS 73 3HG LYS 73 -10.118 -8.260 19.078 578 HD2 LYS 73 2HD LYS 73 -11.541 -5.687 19.298 579 HD3 LYS 73 3HD LYS 73 -10.711 -5.975 17.767 580 HE2 LYS 73 2HE LYS 73 -11.866 -8.294 17.868 581 HE3 LYS 73 3HE LYS 73 -12.937 -7.524 19.038 582 HZ1 LYS 73 3HZ LYS 73 -13.873 -7.370 16.843 583 HZ2 LYS 73 1HZ LYS 73 -12.468 -6.646 16.240 584 HZ3 LYS 73 2HZ LYS 73 -13.430 -5.822 17.361 585 H ARG 74 H ARG 74 -7.536 -4.318 21.540 586 HA ARG 74 HA ARG 74 -5.494 -6.443 21.552 587 HB2 ARG 74 2HB ARG 74 -5.481 -3.714 20.273 588 HB3 ARG 74 3HB ARG 74 -4.006 -4.633 20.538 589 HG2 ARG 74 2HG ARG 74 -6.351 -5.683 18.977 590 HG3 ARG 74 3HG ARG 74 -4.995 -4.820 18.247 591 HD2 ARG 74 2HD ARG 74 -4.391 -7.122 20.024 592 HD3 ARG 74 3HD ARG 74 -5.053 -7.466 18.427 593 HE ARG 74 HE ARG 74 -3.009 -5.708 17.970 594 HH11 ARG 74 1HH1 ARG 74 -3.309 -8.811 19.521 595 HH12 ARG 74 2HH1 ARG 74 -1.693 -9.304 19.138 596 HH21 ARG 74 1HH2 ARG 74 -0.879 -6.347 17.461 597 HH22 ARG 74 2HH2 ARG 74 -0.311 -7.902 17.967 598 H LYS 75 H LYS 75 -4.390 -6.596 23.378 599 HA LYS 75 HA LYS 75 -4.654 -4.885 25.558 600 HB2 LYS 75 2HB LYS 75 -2.623 -6.048 26.450 601 HB3 LYS 75 3HB LYS 75 -3.893 -7.131 25.896 602 HG2 LYS 75 2HG LYS 75 -2.356 -8.177 24.694 603 HG3 LYS 75 3HG LYS 75 -2.274 -6.743 23.668 604 HD2 LYS 75 2HD LYS 75 -0.060 -7.063 24.297 605 HD3 LYS 75 3HD LYS 75 -0.626 -5.848 25.446 606 HE2 LYS 75 2HE LYS 75 0.347 -7.269 26.923 607 HE3 LYS 75 3HE LYS 75 -1.236 -8.040 26.835 608 HZ1 LYS 75 3HZ LYS 75 1.330 -8.949 25.808 609 HZ2 LYS 75 1HZ LYS 75 -0.015 -9.260 24.830 610 HZ3 LYS 75 2HZ LYS 75 0.029 -9.842 26.418 611 H GLY 76 H GLY 76 -3.358 -3.275 26.443 612 HA2 GLY 76 2HA GLY 76 -1.318 -1.971 26.442 613 HA3 GLY 76 3HA GLY 76 -1.209 -2.240 24.708 614 H PHE 77 H PHE 77 -4.379 -1.690 25.272 615 HA PHE 77 HA PHE 77 -4.499 0.746 23.959 616 HB2 PHE 77 2HB PHE 77 -6.812 0.864 24.647 617 HB3 PHE 77 3HB PHE 77 -6.414 -0.815 24.295 618 HD1 PHE 77 HD2 PHE 77 -7.164 1.607 26.944 619 HD2 PHE 77 HD1 PHE 77 -6.403 -2.477 26.018 620 HE1 PHE 77 HE2 PHE 77 -7.970 0.955 29.175 621 HE2 PHE 77 HE1 PHE 77 -7.209 -3.136 28.247 622 HZ PHE 77 HZ PHE 77 -7.993 -1.419 29.829 623 H ASN 78 H ASN 78 -4.440 2.851 24.548 624 HA ASN 78 HA ASN 78 -4.030 4.710 25.792 625 HB2 ASN 78 2HB ASN 78 -5.835 3.117 27.355 626 HB3 ASN 78 3HB ASN 78 -4.704 3.932 28.431 627 HD21 ASN 78 1HD2 ASN 78 -4.271 6.305 27.451 628 HD22 ASN 78 2HD2 ASN 78 -5.727 7.210 27.241 629 H GLU 79 H GLU 79 -2.109 2.368 25.649 630 HA GLU 79 HA GLU 79 -0.398 3.183 27.906 631 HB2 GLU 79 2HB GLU 79 -1.304 0.758 27.842 632 HB3 GLU 79 3HB GLU 79 -0.150 0.520 26.537 633 HG2 GLU 79 2HG GLU 79 0.696 -0.188 28.741 634 HG3 GLU 79 3HG GLU 79 1.685 1.056 27.979 635 H GLY 80 H GLY 80 -0.099 4.830 25.952 636 HA2 GLY 80 2HA GLY 80 2.094 5.509 25.073 637 HA3 GLY 80 3HA GLY 80 2.261 3.873 24.453 638 H LEU 81 H LEU 81 -0.883 4.606 23.994 639 HA LEU 81 HA LEU 81 -0.646 4.826 21.193 640 HB2 LEU 81 2HB LEU 81 -2.608 3.857 22.153 641 HB3 LEU 81 3HB LEU 81 -2.957 5.330 23.056 642 HG LEU 81 HG LEU 81 -3.021 6.254 20.502 643 HD11 LEU 81 1HD1 LEU 81 -2.751 3.762 19.849 644 HD12 LEU 81 2HD1 LEU 81 -3.957 4.746 19.021 645 HD13 LEU 81 3HD1 LEU 81 -4.451 3.636 20.300 646 HD21 LEU 81 3HD2 LEU 81 -5.353 6.429 20.797 647 HD22 LEU 81 1HD2 LEU 81 -4.663 6.487 22.419 648 HD23 LEU 81 2HD2 LEU 81 -5.409 5.001 21.832 649 H TRP 82 H TRP 82 -0.942 7.199 23.744 650 HA TRP 82 HA TRP 82 -1.450 9.389 21.939 651 HB2 TRP 82 2HB TRP 82 -2.377 9.566 24.143 652 HB3 TRP 82 3HB TRP 82 -0.809 9.272 24.889 653 HD1 TRP 82 HD1 TRP 82 -2.859 12.018 23.209 654 HE1 TRP 82 HE1 TRP 82 -1.717 14.284 23.639 655 HE3 TRP 82 HE3 TRP 82 1.481 10.349 25.335 656 HZ2 TRP 82 HZ2 TRP 82 0.704 15.238 24.734 657 HZ3 TRP 82 HZ3 TRP 82 3.158 12.004 26.046 658 HH2 TRP 82 HH2 TRP 82 2.776 14.397 25.750 659 H GLU 83 H GLU 83 1.281 7.667 22.934 660 HA GLU 83 HA GLU 83 3.153 9.856 22.718 661 HB2 GLU 83 2HB GLU 83 3.414 6.896 23.157 662 HB3 GLU 83 3HB GLU 83 4.825 7.873 22.778 663 HG2 GLU 83 2HG GLU 83 4.706 9.054 24.766 664 HG3 GLU 83 3HG GLU 83 3.010 8.647 25.021 665 H ILE 84 H ILE 84 1.706 7.539 20.627 666 HA ILE 84 HA ILE 84 3.671 7.372 18.621 667 HB ILE 84 HB ILE 84 1.588 5.935 18.854 668 HG12 ILE 84 2HG1 ILE 84 2.190 7.105 16.129 669 HG13 ILE 84 3HG1 ILE 84 3.118 5.834 16.917 670 HG21 ILE 84 1HG2 ILE 84 0.209 8.220 18.782 671 HG22 ILE 84 2HG2 ILE 84 0.155 7.807 17.069 672 HG23 ILE 84 3HG2 ILE 84 -0.472 6.677 18.268 673 HD11 ILE 84 3HD1 ILE 84 1.716 4.268 16.217 674 HD12 ILE 84 1HD1 ILE 84 0.309 5.174 16.771 675 HD13 ILE 84 2HD1 ILE 84 0.999 5.501 15.181 676 H ASP 85 H ASP 85 1.453 9.874 19.467 677 HA ASP 85 HA ASP 85 2.143 11.331 17.000 678 HB2 ASP 85 2HB ASP 85 -0.341 10.752 17.620 679 HB3 ASP 85 3HB ASP 85 -0.176 12.111 18.728 680 H ASN 86 H ASN 86 3.147 11.075 20.023 681 HA ASN 86 HA ASN 86 3.784 13.937 20.221 682 HB2 ASN 86 2HB ASN 86 2.768 12.125 22.405 683 HB3 ASN 86 3HB ASN 86 3.676 13.591 22.764 684 HD21 ASN 86 1HD2 ASN 86 0.791 12.353 21.183 685 HD22 ASN 86 2HD2 ASN 86 -0.139 13.800 21.339 686 H ASN 87 H ASN 87 4.570 10.959 22.020 687 HA ASN 87 HA ASN 87 7.419 11.606 21.646 688 HB2 ASN 87 2HB ASN 87 6.437 11.577 24.010 689 HB3 ASN 87 3HB ASN 87 6.307 9.832 23.816 690 HD21 ASN 87 1HD2 ASN 87 7.742 9.914 25.716 691 HD22 ASN 87 2HD2 ASN 87 9.446 10.009 25.444 692 HA PRO 88 HA PRO 88 6.627 7.721 19.248 693 HB2 PRO 88 2HB PRO 88 8.173 8.443 17.136 694 HB3 PRO 88 3HB PRO 88 6.472 8.900 17.282 695 HG2 PRO 88 2HG PRO 88 8.924 10.504 17.897 696 HG3 PRO 88 3HG PRO 88 7.440 11.003 17.065 697 HD2 PRO 88 2HD PRO 88 7.920 11.588 19.665 698 HD3 PRO 88 3HD PRO 88 6.284 11.300 19.037 699 H LYS 89 H LYS 89 9.268 9.303 20.662 700 HA LYS 89 HA LYS 89 11.011 6.975 20.181 701 HB2 LYS 89 2HB LYS 89 11.951 9.705 21.048 702 HB3 LYS 89 3HB LYS 89 12.918 8.376 20.422 703 HG2 LYS 89 2HG LYS 89 11.413 8.698 18.298 704 HG3 LYS 89 3HG LYS 89 11.190 10.314 18.972 705 HD2 LYS 89 2HD LYS 89 13.916 9.103 18.614 706 HD3 LYS 89 3HD LYS 89 13.108 9.980 17.314 707 HE2 LYS 89 2HE LYS 89 13.685 11.086 20.061 708 HE3 LYS 89 3HE LYS 89 14.652 11.399 18.620 709 HZ1 LYS 89 3HZ LYS 89 12.526 12.276 17.612 710 HZ2 LYS 89 1HZ LYS 89 13.216 13.220 18.834 711 HZ3 LYS 89 2HZ LYS 89 11.872 12.251 19.172 712 H VAL 90 H VAL 90 9.165 6.604 22.088 713 HA VAL 90 HA VAL 90 10.306 7.327 24.672 714 HB VAL 90 HB VAL 90 7.816 7.401 24.209 715 HG11 VAL 90 1HG1 VAL 90 6.546 5.442 24.097 716 HG12 VAL 90 2HG1 VAL 90 7.913 5.127 23.026 717 HG13 VAL 90 3HG1 VAL 90 7.883 4.434 24.648 718 HG21 VAL 90 3HG2 VAL 90 7.614 5.773 26.465 719 HG22 VAL 90 1HG2 VAL 90 9.251 6.428 26.515 720 HG23 VAL 90 2HG2 VAL 90 7.867 7.518 26.432 721 H LYS 91 H LYS 91 11.652 5.443 22.822 722 HA LYS 91 HA LYS 91 11.582 2.997 24.457 723 HB2 LYS 91 2HB LYS 91 12.906 2.069 22.431 724 HB3 LYS 91 3HB LYS 91 11.172 2.315 22.270 725 HG2 LYS 91 2HG LYS 91 12.239 3.103 20.286 726 HG3 LYS 91 3HG LYS 91 11.637 4.499 21.185 727 HD2 LYS 91 2HD LYS 91 13.727 5.255 21.675 728 HD3 LYS 91 3HD LYS 91 14.418 3.632 21.737 729 HE2 LYS 91 2HE LYS 91 14.728 3.534 19.452 730 HE3 LYS 91 3HE LYS 91 13.480 4.736 19.126 731 HZ1 LYS 91 3HZ LYS 91 15.444 5.868 18.734 732 HZ2 LYS 91 1HZ LYS 91 16.252 5.157 20.039 733 HZ3 LYS 91 2HZ LYS 91 15.069 6.334 20.317 734 H PHE 92 H PHE 92 13.414 5.751 23.742 735 HA PHE 92 HA PHE 92 15.555 6.403 24.185 736 HB2 PHE 92 2HB PHE 92 15.627 4.367 26.388 737 HB3 PHE 92 3HB PHE 92 16.263 6.009 26.373 738 HD1 PHE 92 HD1 PHE 92 14.557 7.923 26.304 739 HD2 PHE 92 HD2 PHE 92 13.566 3.916 27.345 740 HE1 PHE 92 HE1 PHE 92 12.521 8.723 27.429 741 HE2 PHE 92 HE2 PHE 92 11.527 4.710 28.471 742 HZ PHE 92 HZ PHE 92 11.002 7.115 28.514 743 H SER 93 H SER 93 16.439 5.530 22.254 744 HA SER 93 HA SER 93 18.499 3.574 22.745 745 HB2 SER 93 2HB SER 93 17.709 1.807 21.563 746 HB3 SER 93 3HB SER 93 16.132 2.524 21.894 747 HG SER 93 HG SER 93 16.370 2.103 19.680 Start of MODEL 19 1 H MET 1 H MET 1 2.003 1.025 1.008 2 HA MET 1 HA MET 1 1.390 -0.055 -1.640 3 HB2 MET 1 2HB MET 1 2.603 2.585 -1.059 4 HB3 MET 1 3HB MET 1 3.366 1.642 -2.332 5 HG2 MET 1 2HG MET 1 1.469 1.674 -3.669 6 HG3 MET 1 3HG MET 1 0.410 2.081 -2.321 7 HE1 MET 1 3HE MET 1 -0.839 3.880 -2.912 8 HE2 MET 1 1HE MET 1 -0.332 5.456 -3.520 9 HE3 MET 1 2HE MET 1 -0.383 4.068 -4.606 10 H THR 2 H THR 2 3.644 -0.447 -2.800 11 HA THR 2 HA THR 2 5.051 -2.286 -1.103 12 HB THR 2 HB THR 2 6.282 -2.941 -3.050 13 HG1 THR 2 HG1 THR 2 5.221 -0.598 -4.287 14 HG21 THR 2 3HG2 THR 2 4.489 -3.448 -4.634 15 HG22 THR 2 1HG2 THR 2 3.458 -2.242 -3.866 16 HG23 THR 2 2HG2 THR 2 3.945 -3.682 -2.973 17 H ARG 3 H ARG 3 5.524 0.967 -2.184 18 HA ARG 3 HA ARG 3 8.263 1.280 -2.047 19 HB2 ARG 3 2HB ARG 3 5.941 3.081 -1.546 20 HB3 ARG 3 3HB ARG 3 7.537 3.641 -1.066 21 HG2 ARG 3 2HG ARG 3 6.937 4.422 -3.295 22 HG3 ARG 3 3HG ARG 3 8.343 3.356 -3.340 23 HD2 ARG 3 2HD ARG 3 5.622 2.200 -3.734 24 HD3 ARG 3 3HD ARG 3 6.383 3.073 -5.062 25 HE ARG 3 HE ARG 3 7.091 0.477 -4.067 26 HH11 ARG 3 1HH1 ARG 3 8.257 3.311 -5.720 27 HH12 ARG 3 2HH1 ARG 3 9.535 2.470 -6.533 28 HH21 ARG 3 1HH2 ARG 3 8.770 -0.641 -5.132 29 HH22 ARG 3 2HH2 ARG 3 9.825 0.222 -6.199 30 H ASP 4 H ASP 4 9.747 1.653 -0.443 31 HA ASP 4 HA ASP 4 9.224 0.511 2.102 32 HB2 ASP 4 2HB ASP 4 11.462 0.702 0.776 33 HB3 ASP 4 3HB ASP 4 11.594 2.272 1.564 34 H PHE 5 H PHE 5 9.918 1.738 4.151 35 HA PHE 5 HA PHE 5 8.562 4.352 4.143 36 HB2 PHE 5 2HB PHE 5 8.493 2.053 6.010 37 HB3 PHE 5 3HB PHE 5 8.503 3.651 6.749 38 HD1 PHE 5 HD2 PHE 5 6.698 5.273 6.177 39 HD2 PHE 5 HD1 PHE 5 6.564 1.194 4.971 40 HE1 PHE 5 HE2 PHE 5 4.281 5.477 5.769 41 HE2 PHE 5 HE1 PHE 5 4.146 1.391 4.560 42 HZ PHE 5 HZ PHE 5 3.001 3.535 4.960 43 H LYS 6 H LYS 6 9.264 5.573 6.312 44 HA LYS 6 HA LYS 6 12.194 5.766 6.161 45 HB2 LYS 6 2HB LYS 6 10.018 7.753 6.659 46 HB3 LYS 6 3HB LYS 6 11.606 8.047 7.356 47 HG2 LYS 6 2HG LYS 6 11.657 7.312 4.524 48 HG3 LYS 6 3HG LYS 6 10.817 8.825 4.875 49 HD2 LYS 6 2HD LYS 6 12.848 9.475 6.243 50 HD3 LYS 6 3HD LYS 6 13.662 8.084 5.523 51 HE2 LYS 6 2HE LYS 6 14.288 9.723 4.055 52 HE3 LYS 6 3HE LYS 6 12.805 9.166 3.282 53 HZ1 LYS 6 3HZ LYS 6 12.492 11.286 5.241 54 HZ2 LYS 6 1HZ LYS 6 11.743 11.079 3.738 55 HZ3 LYS 6 2HZ LYS 6 13.307 11.717 3.822 56 HA PRO 7 HA PRO 7 12.759 4.593 10.351 57 HB2 PRO 7 2HB PRO 7 14.717 6.286 11.171 58 HB3 PRO 7 3HB PRO 7 15.008 4.952 10.049 59 HG2 PRO 7 2HG PRO 7 14.600 7.860 9.468 60 HG3 PRO 7 3HG PRO 7 15.777 6.733 8.768 61 HD2 PRO 7 2HD PRO 7 13.495 7.435 7.491 62 HD3 PRO 7 3HD PRO 7 14.237 5.833 7.309 63 H GLY 8 H GLY 8 11.264 4.960 11.868 64 HA2 GLY 8 2HA GLY 8 10.420 6.092 13.741 65 HA3 GLY 8 3HA GLY 8 11.183 7.567 13.167 66 H ASP 9 H ASP 9 9.126 5.530 11.187 67 HA ASP 9 HA ASP 9 7.261 7.777 10.933 68 HB2 ASP 9 2HB ASP 9 8.154 5.593 9.155 69 HB3 ASP 9 3HB ASP 9 6.445 6.006 9.045 70 H LEU 10 H LEU 10 5.139 7.636 11.466 71 HA LEU 10 HA LEU 10 4.353 5.459 13.182 72 HB2 LEU 10 2HB LEU 10 2.846 7.895 12.245 73 HB3 LEU 10 3HB LEU 10 2.268 6.754 13.458 74 HG LEU 10 HG LEU 10 3.057 8.571 14.692 75 HD11 LEU 10 1HD1 LEU 10 5.575 6.983 14.720 76 HD12 LEU 10 2HD1 LEU 10 4.063 6.196 15.172 77 HD13 LEU 10 3HD1 LEU 10 4.620 7.613 16.063 78 HD21 LEU 10 3HD2 LEU 10 4.413 9.331 12.524 79 HD22 LEU 10 1HD2 LEU 10 5.751 8.680 13.471 80 HD23 LEU 10 2HD2 LEU 10 4.750 9.972 14.133 81 H ILE 11 H ILE 11 3.534 3.629 12.433 82 HA ILE 11 HA ILE 11 1.476 3.693 10.384 83 HB ILE 11 HB ILE 11 2.547 1.913 9.043 84 HG12 ILE 11 2HG1 ILE 11 5.213 2.041 9.479 85 HG13 ILE 11 3HG1 ILE 11 4.627 2.240 11.126 86 HG21 ILE 11 1HG2 ILE 11 4.435 4.233 9.113 87 HG22 ILE 11 2HG2 ILE 11 3.788 3.361 7.724 88 HG23 ILE 11 3HG2 ILE 11 2.752 4.458 8.637 89 HD11 ILE 11 3HD1 ILE 11 4.654 0.010 11.164 90 HD12 ILE 11 1HD1 ILE 11 3.136 0.139 10.276 91 HD13 ILE 11 2HD1 ILE 11 4.648 -0.120 9.406 92 H PHE 12 H PHE 12 0.055 1.988 10.499 93 HA PHE 12 HA PHE 12 0.106 0.468 12.942 94 HB2 PHE 12 2HB PHE 12 -1.846 0.923 10.739 95 HB3 PHE 12 3HB PHE 12 -2.034 -0.536 11.707 96 HD1 PHE 12 HD2 PHE 12 -0.875 2.815 12.798 97 HD2 PHE 12 HD1 PHE 12 -3.960 -0.115 12.942 98 HE1 PHE 12 HE2 PHE 12 -2.030 4.122 14.533 99 HE2 PHE 12 HE1 PHE 12 -5.120 1.188 14.678 100 HZ PHE 12 HZ PHE 12 -4.155 3.308 15.477 101 H ALA 13 H ALA 13 1.294 -1.309 13.114 102 HA ALA 13 HA ALA 13 2.073 -2.853 10.812 103 HB1 ALA 13 1HB ALA 13 2.649 -4.163 13.304 104 HB2 ALA 13 2HB ALA 13 3.758 -3.473 12.118 105 HB3 ALA 13 3HB ALA 13 3.084 -2.455 13.391 106 H LYS 14 H LYS 14 1.118 -4.617 10.026 107 HA LYS 14 HA LYS 14 -1.021 -5.863 11.624 108 HB2 LYS 14 2HB LYS 14 -1.837 -4.731 9.598 109 HB3 LYS 14 3HB LYS 14 -0.753 -5.707 8.615 110 HG2 LYS 14 2HG LYS 14 -2.865 -6.705 8.410 111 HG3 LYS 14 3HG LYS 14 -1.968 -7.731 9.531 112 HD2 LYS 14 2HD LYS 14 -3.135 -6.872 11.400 113 HD3 LYS 14 3HD LYS 14 -3.801 -5.533 10.461 114 HE2 LYS 14 2HE LYS 14 -4.462 -8.458 10.123 115 HE3 LYS 14 3HE LYS 14 -5.494 -7.235 10.863 116 HZ1 LYS 14 3HZ LYS 14 -6.343 -7.062 8.816 117 HZ2 LYS 14 1HZ LYS 14 -5.012 -7.795 8.074 118 HZ3 LYS 14 2HZ LYS 14 -4.963 -6.150 8.463 119 H MET 15 H MET 15 -0.193 -7.647 12.526 120 HA MET 15 HA MET 15 1.765 -9.260 11.124 121 HB2 MET 15 2HB MET 15 0.697 -9.105 13.883 122 HB3 MET 15 3HB MET 15 1.230 -10.693 13.345 123 HG2 MET 15 2HG MET 15 3.014 -8.341 12.944 124 HG3 MET 15 3HG MET 15 2.877 -9.067 14.544 125 HE1 MET 15 3HE MET 15 5.017 -11.546 14.868 126 HE2 MET 15 1HE MET 15 3.357 -11.079 15.239 127 HE3 MET 15 2HE MET 15 3.672 -12.520 14.272 128 H LYS 16 H LYS 16 1.451 -11.274 10.283 129 HA LYS 16 HA LYS 16 -0.998 -11.974 9.212 130 HB2 LYS 16 2HB LYS 16 1.401 -13.689 9.856 131 HB3 LYS 16 3HB LYS 16 0.018 -14.275 8.942 132 HG2 LYS 16 2HG LYS 16 0.464 -12.270 7.391 133 HG3 LYS 16 3HG LYS 16 2.046 -12.215 8.172 134 HD2 LYS 16 2HD LYS 16 0.897 -14.677 6.865 135 HD3 LYS 16 3HD LYS 16 1.976 -13.542 6.051 136 HE2 LYS 16 2HE LYS 16 3.494 -13.971 8.147 137 HE3 LYS 16 3HE LYS 16 2.545 -15.451 8.273 138 HZ1 LYS 16 3HZ LYS 16 4.336 -16.059 6.963 139 HZ2 LYS 16 1HZ LYS 16 4.357 -14.600 6.108 140 HZ3 LYS 16 2HZ LYS 16 3.140 -15.736 5.811 141 H GLY 17 H GLY 17 -2.814 -12.385 10.295 142 HA2 GLY 17 2HA GLY 17 -4.219 -13.791 11.543 143 HA3 GLY 17 3HA GLY 17 -2.800 -14.511 12.288 144 H TYR 18 H TYR 18 -3.026 -11.068 12.167 145 HA TYR 18 HA TYR 18 -4.134 -10.905 14.859 146 HB2 TYR 18 2HB TYR 18 -1.444 -9.695 14.198 147 HB3 TYR 18 3HB TYR 18 -2.266 -9.664 15.755 148 HD1 TYR 18 HD2 TYR 18 -0.517 -11.837 13.334 149 HD2 TYR 18 HD1 TYR 18 -2.114 -11.499 17.263 150 HE1 TYR 18 HE2 TYR 18 0.627 -13.918 13.972 151 HE2 TYR 18 HE1 TYR 18 -0.973 -13.579 17.912 152 HH TYR 18 HH TYR 18 0.486 -15.667 15.617 153 HA PRO 19 HA PRO 19 -5.931 -7.187 13.368 154 HB2 PRO 19 2HB PRO 19 -6.143 -5.757 15.667 155 HB3 PRO 19 3HB PRO 19 -7.166 -7.153 15.305 156 HG2 PRO 19 2HG PRO 19 -4.717 -6.992 17.019 157 HG3 PRO 19 3HG PRO 19 -6.244 -7.838 17.328 158 HD2 PRO 19 2HD PRO 19 -4.026 -9.114 16.444 159 HD3 PRO 19 3HD PRO 19 -5.665 -9.631 16.000 160 H HIS 20 H HIS 20 -5.666 -4.741 13.475 161 HA HIS 20 HA HIS 20 -2.938 -4.104 12.869 162 HB2 HIS 20 2HB HIS 20 -5.281 -2.208 13.095 163 HB3 HIS 20 3HB HIS 20 -3.768 -1.928 12.238 164 HD1 HIS 20 HD1 HIS 20 -6.810 -4.187 12.049 165 HD2 HIS 20 HD2 HIS 20 -3.809 -2.658 9.616 166 HE1 HIS 20 HE1 HIS 20 -7.414 -4.893 9.712 167 H TRP 21 H TRP 21 -1.575 -2.663 13.929 168 HA TRP 21 HA TRP 21 -2.402 -1.563 16.492 169 HB2 TRP 21 2HB TRP 21 -1.611 -3.794 17.097 170 HB3 TRP 21 3HB TRP 21 -0.099 -3.509 16.240 171 HD1 TRP 21 HD1 TRP 21 1.699 -1.913 17.413 172 HE1 TRP 21 HE1 TRP 21 1.979 -1.140 19.852 173 HE3 TRP 21 HE3 TRP 21 -2.930 -3.153 19.192 174 HZ2 TRP 21 HZ2 TRP 21 0.440 -1.067 22.218 175 HZ3 TRP 21 HZ3 TRP 21 -3.446 -2.699 21.555 176 HH2 TRP 21 HH2 TRP 21 -1.794 -1.678 23.035 177 HA PRO 22 HA PRO 22 0.178 1.710 15.040 178 HB2 PRO 22 2HB PRO 22 0.362 3.109 17.359 179 HB3 PRO 22 3HB PRO 22 -1.098 3.088 16.364 180 HG2 PRO 22 2HG PRO 22 -0.466 1.518 18.833 181 HG3 PRO 22 3HG PRO 22 -1.973 2.338 18.383 182 HD2 PRO 22 2HD PRO 22 -1.626 -0.333 18.101 183 HD3 PRO 22 3HD PRO 22 -2.641 0.620 16.999 184 H ALA 23 H ALA 23 2.293 1.591 14.669 185 HA ALA 23 HA ALA 23 4.135 1.210 16.901 186 HB1 ALA 23 1HB ALA 23 4.683 -0.874 16.381 187 HB2 ALA 23 2HB ALA 23 3.507 -0.865 15.065 188 HB3 ALA 23 3HB ALA 23 5.166 -0.346 14.769 189 H ARG 24 H ARG 24 6.503 1.096 15.659 190 HA ARG 24 HA ARG 24 6.544 3.382 13.807 191 HB2 ARG 24 2HB ARG 24 8.364 4.388 14.950 192 HB3 ARG 24 3HB ARG 24 7.172 3.992 16.181 193 HG2 ARG 24 2HG ARG 24 8.949 3.156 17.263 194 HG3 ARG 24 3HG ARG 24 8.673 1.754 16.228 195 HD2 ARG 24 2HD ARG 24 11.017 2.391 16.194 196 HD3 ARG 24 3HD ARG 24 10.285 2.642 14.610 197 HE ARG 24 HE ARG 24 10.076 5.055 15.907 198 HH11 ARG 24 1HH1 ARG 24 12.658 2.912 14.980 199 HH12 ARG 24 2HH1 ARG 24 13.820 4.183 14.789 200 HH21 ARG 24 1HH2 ARG 24 11.596 6.737 15.659 201 HH22 ARG 24 2HH2 ARG 24 13.215 6.359 15.176 202 H VAL 25 H VAL 25 8.613 3.559 12.596 203 HA VAL 25 HA VAL 25 9.525 0.878 11.829 204 HB VAL 25 HB VAL 25 9.779 3.508 10.363 205 HG11 VAL 25 1HG1 VAL 25 11.571 2.382 9.514 206 HG12 VAL 25 2HG1 VAL 25 10.877 0.795 9.852 207 HG13 VAL 25 3HG1 VAL 25 10.304 1.734 8.473 208 HG21 VAL 25 3HG2 VAL 25 7.735 1.416 10.427 209 HG22 VAL 25 1HG2 VAL 25 7.636 3.084 9.863 210 HG23 VAL 25 2HG2 VAL 25 8.285 1.832 8.804 211 H ASP 26 H ASP 26 11.581 0.229 12.076 212 HA ASP 26 HA ASP 26 13.454 2.123 13.312 213 HB2 ASP 26 2HB ASP 26 12.859 -0.020 14.509 214 HB3 ASP 26 3HB ASP 26 13.689 -0.887 13.220 215 H GLU 27 H GLU 27 15.735 1.967 12.712 216 HA GLU 27 HA GLU 27 16.017 1.844 9.840 217 HB2 GLU 27 2HB GLU 27 17.126 3.445 11.728 218 HB3 GLU 27 3HB GLU 27 18.419 2.275 11.503 219 HG2 GLU 27 2HG GLU 27 18.584 2.787 9.184 220 HG3 GLU 27 3HG GLU 27 17.126 3.776 9.243 221 H VAL 28 H VAL 28 18.192 0.879 9.030 222 HA VAL 28 HA VAL 28 18.055 -1.906 9.305 223 HB VAL 28 HB VAL 28 20.314 -1.891 8.152 224 HG11 VAL 28 1HG1 VAL 28 17.809 -1.548 7.175 225 HG12 VAL 28 2HG1 VAL 28 18.630 -0.138 6.503 226 HG13 VAL 28 3HG1 VAL 28 19.247 -1.758 6.177 227 HG21 VAL 28 3HG2 VAL 28 21.511 -0.022 7.961 228 HG22 VAL 28 1HG2 VAL 28 20.120 0.885 7.368 229 HG23 VAL 28 2HG2 VAL 28 20.392 0.721 9.103 230 HA PRO 29 HA PRO 29 20.466 -2.875 12.843 231 HB2 PRO 29 2HB PRO 29 21.637 -5.199 12.068 232 HB3 PRO 29 3HB PRO 29 19.919 -5.075 12.468 233 HG2 PRO 29 2HG PRO 29 21.244 -5.082 9.783 234 HG3 PRO 29 3HG PRO 29 19.773 -5.922 10.307 235 HD2 PRO 29 2HD PRO 29 19.707 -3.619 8.885 236 HD3 PRO 29 3HD PRO 29 18.466 -4.037 10.083 237 H ASP 30 H ASP 30 22.758 -3.616 13.473 238 HA ASP 30 HA ASP 30 24.607 -1.714 12.570 239 HB2 ASP 30 2HB ASP 30 24.694 -2.821 14.791 240 HB3 ASP 30 3HB ASP 30 25.195 -4.314 14.001 241 H GLY 31 H GLY 31 23.716 -4.755 11.277 242 HA2 GLY 31 2HA GLY 31 24.461 -5.008 8.905 243 HA3 GLY 31 3HA GLY 31 26.084 -4.701 9.507 244 H ALA 32 H ALA 32 25.158 -6.359 11.963 245 HA ALA 32 HA ALA 32 25.348 -9.019 10.725 246 HB1 ALA 32 1HB ALA 32 27.590 -8.192 11.506 247 HB2 ALA 32 2HB ALA 32 26.950 -8.235 13.150 248 HB3 ALA 32 3HB ALA 32 27.063 -9.722 12.208 249 H VAL 33 H VAL 33 23.182 -7.412 12.036 250 HA VAL 33 HA VAL 33 22.636 -9.040 14.411 251 HB VAL 33 HB VAL 33 20.910 -6.781 13.436 252 HG11 VAL 33 1HG1 VAL 33 21.309 -7.131 16.293 253 HG12 VAL 33 2HG1 VAL 33 19.813 -7.042 15.362 254 HG13 VAL 33 3HG1 VAL 33 20.667 -8.578 15.516 255 HG21 VAL 33 3HG2 VAL 33 23.384 -6.566 15.149 256 HG22 VAL 33 1HG2 VAL 33 23.149 -5.874 13.544 257 HG23 VAL 33 2HG2 VAL 33 22.204 -5.278 14.909 258 H LYS 34 H LYS 34 22.477 -10.112 11.686 259 HA LYS 34 HA LYS 34 21.113 -11.371 10.365 260 HB2 LYS 34 2HB LYS 34 19.449 -11.640 12.873 261 HB3 LYS 34 3HB LYS 34 19.497 -12.753 11.511 262 HG2 LYS 34 2HG LYS 34 21.795 -12.170 13.369 263 HG3 LYS 34 3HG LYS 34 20.750 -13.591 13.436 264 HD2 LYS 34 2HD LYS 34 21.466 -13.934 10.971 265 HD3 LYS 34 3HD LYS 34 22.787 -12.835 11.372 266 HE2 LYS 34 2HE LYS 34 23.478 -15.150 11.651 267 HE3 LYS 34 3HE LYS 34 23.456 -14.316 13.204 268 HZ1 LYS 34 3HZ LYS 34 21.873 -15.661 13.982 269 HZ2 LYS 34 1HZ LYS 34 22.280 -16.690 12.703 270 HZ3 LYS 34 2HZ LYS 34 20.976 -15.624 12.548 271 HA PRO 35 HA PRO 35 18.152 -7.856 9.731 272 HB2 PRO 35 2HB PRO 35 18.820 -7.461 7.129 273 HB3 PRO 35 3HB PRO 35 19.688 -6.703 8.470 274 HG2 PRO 35 2HG PRO 35 20.407 -9.137 6.883 275 HG3 PRO 35 3HG PRO 35 21.446 -7.804 7.419 276 HD2 PRO 35 2HD PRO 35 21.360 -10.189 8.699 277 HD3 PRO 35 3HD PRO 35 21.658 -8.660 9.549 278 HA PRO 36 HA PRO 36 15.005 -10.180 7.725 279 HB2 PRO 36 2HB PRO 36 13.692 -8.292 6.282 280 HB3 PRO 36 3HB PRO 36 13.600 -8.391 8.045 281 HG2 PRO 36 2HG PRO 36 15.279 -6.599 6.333 282 HG3 PRO 36 3HG PRO 36 14.363 -6.208 7.800 283 HD2 PRO 36 2HD PRO 36 17.039 -6.623 7.821 284 HD3 PRO 36 3HD PRO 36 15.996 -7.045 9.195 285 H THR 37 H THR 37 13.970 -10.618 5.534 286 HA THR 37 HA THR 37 16.054 -10.535 3.450 287 HB THR 37 HB THR 37 15.746 -12.808 4.059 288 HG1 THR 37 HG1 THR 37 15.627 -13.298 2.012 289 HG21 THR 37 3HG2 THR 37 12.774 -12.360 3.766 290 HG22 THR 37 1HG2 THR 37 13.641 -12.572 5.286 291 HG23 THR 37 2HG2 THR 37 13.553 -13.900 4.128 292 H ASN 38 H ASN 38 12.684 -10.022 4.198 293 HA ASN 38 HA ASN 38 12.363 -8.462 1.788 294 HB2 ASN 38 2HB ASN 38 11.795 -10.958 1.295 295 HB3 ASN 38 3HB ASN 38 10.328 -10.629 2.213 296 HD21 ASN 38 1HD2 ASN 38 12.255 -8.970 -0.268 297 HD22 ASN 38 2HD2 ASN 38 10.914 -8.577 -1.285 298 H LYS 39 H LYS 39 12.272 -8.189 4.755 299 HA LYS 39 HA LYS 39 9.739 -6.735 4.869 300 HB2 LYS 39 2HB LYS 39 10.617 -8.476 7.169 301 HB3 LYS 39 3HB LYS 39 9.082 -7.640 6.970 302 HG2 LYS 39 2HG LYS 39 8.488 -9.125 5.142 303 HG3 LYS 39 3HG LYS 39 10.044 -9.946 5.288 304 HD2 LYS 39 2HD LYS 39 9.311 -10.321 7.756 305 HD3 LYS 39 3HD LYS 39 7.690 -9.997 7.135 306 HE2 LYS 39 2HE LYS 39 7.874 -12.310 6.977 307 HE3 LYS 39 3HE LYS 39 8.257 -11.760 5.347 308 HZ1 LYS 39 3HZ LYS 39 9.890 -13.183 7.206 309 HZ2 LYS 39 1HZ LYS 39 10.662 -11.788 6.642 310 HZ3 LYS 39 2HZ LYS 39 10.107 -12.949 5.545 311 H LEU 40 H LEU 40 9.692 -5.467 7.066 312 HA LEU 40 HA LEU 40 12.390 -4.393 7.563 313 HB2 LEU 40 2HB LEU 40 11.012 -2.221 8.045 314 HB3 LEU 40 3HB LEU 40 11.490 -2.646 6.403 315 HG LEU 40 HG LEU 40 8.813 -3.522 7.369 316 HD11 LEU 40 1HD1 LEU 40 9.687 -0.744 7.188 317 HD12 LEU 40 2HD1 LEU 40 8.240 -1.436 7.921 318 HD13 LEU 40 3HD1 LEU 40 8.282 -1.112 6.188 319 HD21 LEU 40 3HD2 LEU 40 10.022 -3.937 5.069 320 HD22 LEU 40 1HD2 LEU 40 9.418 -2.318 4.714 321 HD23 LEU 40 2HD2 LEU 40 8.290 -3.605 5.141 322 HA PRO 41 HA PRO 41 11.702 -4.897 11.867 323 HB2 PRO 41 2HB PRO 41 12.931 -2.707 12.899 324 HB3 PRO 41 3HB PRO 41 13.818 -4.066 12.199 325 HG2 PRO 41 2HG PRO 41 13.117 -1.428 10.970 326 HG3 PRO 41 3HG PRO 41 14.643 -2.328 10.893 327 HD2 PRO 41 2HD PRO 41 12.840 -2.340 8.873 328 HD3 PRO 41 3HD PRO 41 13.874 -3.737 9.239 329 H ILE 42 H ILE 42 9.854 -4.658 12.941 330 HA ILE 42 HA ILE 42 8.591 -1.994 12.999 331 HB ILE 42 HB ILE 42 7.106 -4.614 13.155 332 HG12 ILE 42 2HG1 ILE 42 8.142 -4.431 10.952 333 HG13 ILE 42 3HG1 ILE 42 6.405 -4.174 10.827 334 HG21 ILE 42 1HG2 ILE 42 6.383 -1.954 13.732 335 HG22 ILE 42 2HG2 ILE 42 5.575 -2.389 12.227 336 HG23 ILE 42 3HG2 ILE 42 5.340 -3.375 13.670 337 HD11 ILE 42 3HD1 ILE 42 8.509 -2.503 9.950 338 HD12 ILE 42 1HD1 ILE 42 6.769 -2.251 9.810 339 HD13 ILE 42 2HD1 ILE 42 7.636 -1.654 11.225 340 H PHE 43 H PHE 43 9.035 -1.197 14.960 341 HA PHE 43 HA PHE 43 9.185 -2.900 17.288 342 HB2 PHE 43 2HB PHE 43 10.692 -0.923 16.917 343 HB3 PHE 43 3HB PHE 43 9.295 0.119 17.172 344 HD1 PHE 43 HD2 PHE 43 10.946 -2.775 18.861 345 HD2 PHE 43 HD1 PHE 43 9.082 1.031 19.257 346 HE1 PHE 43 HE2 PHE 43 11.354 -2.831 21.286 347 HE2 PHE 43 HE1 PHE 43 9.488 0.981 21.683 348 HZ PHE 43 HZ PHE 43 10.624 -0.952 22.701 349 H PHE 44 H PHE 44 7.340 -3.622 18.131 350 HA PHE 44 HA PHE 44 4.857 -2.240 17.889 351 HB2 PHE 44 2HB PHE 44 5.801 -4.781 19.061 352 HB3 PHE 44 3HB PHE 44 4.379 -4.082 19.827 353 HD1 PHE 44 HD2 PHE 44 5.749 -5.306 16.626 354 HD2 PHE 44 HD1 PHE 44 2.266 -4.162 18.789 355 HE1 PHE 44 HE2 PHE 44 4.337 -6.225 14.832 356 HE2 PHE 44 HE1 PHE 44 0.849 -5.080 16.999 357 HZ PHE 44 HZ PHE 44 1.884 -6.112 15.017 358 H PHE 45 H PHE 45 4.303 -0.508 19.017 359 HA PHE 45 HA PHE 45 5.649 0.197 21.460 360 HB2 PHE 45 2HB PHE 45 3.740 1.491 19.606 361 HB3 PHE 45 3HB PHE 45 3.646 2.008 21.286 362 HD1 PHE 45 HD2 PHE 45 6.351 2.044 22.210 363 HD2 PHE 45 HD1 PHE 45 4.819 3.103 18.382 364 HE1 PHE 45 HE2 PHE 45 8.274 3.538 21.858 365 HE2 PHE 45 HE1 PHE 45 6.740 4.598 18.023 366 HZ PHE 45 HZ PHE 45 8.470 4.818 19.763 367 H GLY 46 H GLY 46 4.823 0.243 23.523 368 HA2 GLY 46 2HA GLY 46 3.176 0.006 25.186 369 HA3 GLY 46 3HA GLY 46 2.073 -0.624 23.972 370 H THR 47 H THR 47 3.827 -2.609 22.909 371 HA THR 47 HA THR 47 3.770 -4.518 25.147 372 HB THR 47 HB THR 47 3.661 -6.290 23.430 373 HG1 THR 47 HG1 THR 47 4.672 -5.169 21.711 374 HG21 THR 47 3HG2 THR 47 1.371 -5.822 22.645 375 HG22 THR 47 1HG2 THR 47 1.556 -4.142 23.146 376 HG23 THR 47 2HG2 THR 47 1.580 -5.429 24.351 377 H HIS 48 H HIS 48 5.896 -2.690 23.399 378 HA HIS 48 HA HIS 48 8.136 -2.759 22.980 379 HB2 HIS 48 2HB HIS 48 7.942 -4.467 25.461 380 HB3 HIS 48 3HB HIS 48 9.480 -3.981 24.754 381 HD1 HIS 48 HD1 HIS 48 8.714 -1.033 24.080 382 HD2 HIS 48 HD2 HIS 48 8.001 -2.915 27.715 383 HE1 HIS 48 HE1 HIS 48 8.524 0.819 25.770 384 H GLU 49 H GLU 49 6.541 -4.649 21.526 385 HA GLU 49 HA GLU 49 8.282 -6.999 21.339 386 HB2 GLU 49 2HB GLU 49 5.571 -6.437 20.127 387 HB3 GLU 49 3HB GLU 49 6.490 -7.913 19.869 388 HG2 GLU 49 2HG GLU 49 6.438 -8.266 22.348 389 HG3 GLU 49 3HG GLU 49 5.313 -6.914 22.447 390 H THR 50 H THR 50 8.418 -7.826 18.944 391 HA THR 50 HA THR 50 8.770 -5.685 17.013 392 HB THR 50 HB THR 50 10.924 -5.522 17.961 393 HG1 THR 50 HG1 THR 50 11.800 -5.695 16.050 394 HG21 THR 50 3HG2 THR 50 12.156 -7.998 17.856 395 HG22 THR 50 1HG2 THR 50 10.552 -8.357 18.492 396 HG23 THR 50 2HG2 THR 50 11.581 -7.182 19.310 397 H ALA 51 H ALA 51 8.115 -6.381 15.090 398 HA ALA 51 HA ALA 51 8.463 -9.214 14.398 399 HB1 ALA 51 1HB ALA 51 6.003 -8.214 13.297 400 HB2 ALA 51 2HB ALA 51 6.284 -9.633 14.306 401 HB3 ALA 51 3HB ALA 51 6.001 -8.061 15.054 402 H PHE 52 H PHE 52 8.785 -9.645 12.224 403 HA PHE 52 HA PHE 52 9.538 -7.323 10.622 404 HB2 PHE 52 2HB PHE 52 10.172 -10.258 10.468 405 HB3 PHE 52 3HB PHE 52 10.470 -9.197 9.095 406 HD1 PHE 52 HD2 PHE 52 11.588 -6.826 10.063 407 HD2 PHE 52 HD1 PHE 52 12.085 -10.760 11.609 408 HE1 PHE 52 HE2 PHE 52 13.745 -6.164 11.043 409 HE2 PHE 52 HE1 PHE 52 14.243 -10.104 12.592 410 HZ PHE 52 HZ PHE 52 15.076 -7.804 12.309 411 H LEU 53 H LEU 53 8.185 -6.536 9.163 412 HA LEU 53 HA LEU 53 6.529 -8.352 7.592 413 HB2 LEU 53 2HB LEU 53 5.314 -5.907 8.842 414 HB3 LEU 53 3HB LEU 53 4.498 -7.223 8.000 415 HG LEU 53 HG LEU 53 5.908 -7.620 10.628 416 HD11 LEU 53 1HD1 LEU 53 4.131 -6.916 11.820 417 HD12 LEU 53 2HD1 LEU 53 2.969 -7.412 10.590 418 HD13 LEU 53 3HD1 LEU 53 3.854 -5.898 10.406 419 HD21 LEU 53 3HD2 LEU 53 3.602 -9.256 10.071 420 HD22 LEU 53 1HD2 LEU 53 5.261 -9.736 10.430 421 HD23 LEU 53 2HD2 LEU 53 4.788 -9.375 8.770 422 H GLY 54 H GLY 54 6.483 -7.790 5.504 423 HA2 GLY 54 2HA GLY 54 8.065 -5.720 4.485 424 HA3 GLY 54 3HA GLY 54 6.840 -6.595 3.578 425 HA PRO 55 HA PRO 55 5.625 -2.090 4.139 426 HB2 PRO 55 2HB PRO 55 5.526 -1.478 1.496 427 HB3 PRO 55 3HB PRO 55 6.995 -1.316 2.465 428 HG2 PRO 55 2HG PRO 55 6.185 -3.518 0.605 429 HG3 PRO 55 3HG PRO 55 7.766 -2.737 0.793 430 HD2 PRO 55 2HD PRO 55 7.189 -5.142 1.895 431 HD3 PRO 55 3HD PRO 55 8.302 -3.987 2.654 432 H LYS 56 H LYS 56 4.598 -4.601 1.877 433 HA LYS 56 HA LYS 56 2.003 -3.521 1.417 434 HB2 LYS 56 2HB LYS 56 3.216 -6.242 0.962 435 HB3 LYS 56 3HB LYS 56 1.534 -5.892 0.585 436 HG2 LYS 56 2HG LYS 56 3.747 -4.213 -0.530 437 HG3 LYS 56 3HG LYS 56 3.271 -5.732 -1.294 438 HD2 LYS 56 2HD LYS 56 1.141 -3.768 -0.614 439 HD3 LYS 56 3HD LYS 56 2.185 -3.423 -1.995 440 HE2 LYS 56 2HE LYS 56 1.646 -5.835 -2.723 441 HE3 LYS 56 3HE LYS 56 0.317 -5.731 -1.570 442 HZ1 LYS 56 3HZ LYS 56 0.705 -4.289 -4.094 443 HZ2 LYS 56 1HZ LYS 56 -0.153 -3.523 -2.853 444 HZ3 LYS 56 2HZ LYS 56 -0.694 -5.003 -3.466 445 H ASP 57 H ASP 57 3.376 -5.004 4.088 446 HA ASP 57 HA ASP 57 0.841 -6.131 5.028 447 HB2 ASP 57 2HB ASP 57 3.701 -6.516 5.734 448 HB3 ASP 57 3HB ASP 57 2.530 -6.682 7.040 449 H ILE 58 H ILE 58 3.032 -3.486 5.547 450 HA ILE 58 HA ILE 58 1.594 -2.654 7.957 451 HB ILE 58 HB ILE 58 3.339 -0.873 8.099 452 HG12 ILE 58 2HG1 ILE 58 4.640 -2.417 5.845 453 HG13 ILE 58 3HG1 ILE 58 3.878 -0.840 5.668 454 HG21 ILE 58 1HG2 ILE 58 5.195 -2.963 8.154 455 HG22 ILE 58 2HG2 ILE 58 4.210 -2.368 9.489 456 HG23 ILE 58 3HG2 ILE 58 3.632 -3.705 8.495 457 HD11 ILE 58 3HD1 ILE 58 6.266 -1.457 7.391 458 HD12 ILE 58 1HD1 ILE 58 6.295 -0.653 5.822 459 HD13 ILE 58 2HD1 ILE 58 5.509 0.123 7.197 460 H PHE 59 H PHE 59 0.288 -0.907 8.040 461 HA PHE 59 HA PHE 59 -0.061 0.629 5.549 462 HB2 PHE 59 2HB PHE 59 -2.015 -0.649 7.362 463 HB3 PHE 59 3HB PHE 59 -2.437 0.968 6.810 464 HD1 PHE 59 HD1 PHE 59 -1.269 -2.318 5.506 465 HD2 PHE 59 HD2 PHE 59 -3.520 1.223 4.792 466 HE1 PHE 59 HE1 PHE 59 -2.070 -3.259 3.378 467 HE2 PHE 59 HE2 PHE 59 -4.325 0.287 2.664 468 HZ PHE 59 HZ PHE 59 -3.601 -1.957 1.955 469 HA PRO 60 HA PRO 60 0.649 4.378 7.711 470 HB2 PRO 60 2HB PRO 60 -1.182 6.052 6.607 471 HB3 PRO 60 3HB PRO 60 0.248 5.484 5.737 472 HG2 PRO 60 2HG PRO 60 -2.572 4.489 5.599 473 HG3 PRO 60 3HG PRO 60 -1.420 4.774 4.281 474 HD2 PRO 60 2HD PRO 60 -1.914 2.304 5.276 475 HD3 PRO 60 3HD PRO 60 -0.327 2.776 4.636 476 H TYR 61 H TYR 61 0.152 5.031 9.704 477 HA TYR 61 HA TYR 61 -2.164 4.185 11.058 478 HB2 TYR 61 2HB TYR 61 -1.135 4.981 12.910 479 HB3 TYR 61 3HB TYR 61 0.252 5.148 11.839 480 HD1 TYR 61 HD1 TYR 61 0.664 7.398 10.745 481 HD2 TYR 61 HD2 TYR 61 -2.099 6.864 13.937 482 HE1 TYR 61 HE1 TYR 61 0.729 9.815 11.198 483 HE2 TYR 61 HE2 TYR 61 -2.042 9.280 14.397 484 HH TYR 61 HH TYR 61 -1.016 11.520 12.348 485 H SER 62 H SER 62 -1.639 6.799 8.955 486 HA SER 62 HA SER 62 -3.497 8.657 10.032 487 HB2 SER 62 2HB SER 62 -1.625 9.011 8.251 488 HB3 SER 62 3HB SER 62 -2.860 8.500 7.100 489 HG SER 62 HG SER 62 -2.550 10.884 8.288 490 H GLU 63 H GLU 63 -3.849 5.733 8.301 491 HA GLU 63 HA GLU 63 -6.530 6.394 7.359 492 HB2 GLU 63 2HB GLU 63 -4.592 4.187 6.854 493 HB3 GLU 63 3HB GLU 63 -6.304 3.844 6.646 494 HG2 GLU 63 2HG GLU 63 -6.429 5.804 5.106 495 HG3 GLU 63 3HG GLU 63 -4.674 5.924 5.213 496 H ASN 64 H ASN 64 -4.921 4.632 9.881 497 HA ASN 64 HA ASN 64 -7.343 3.246 10.691 498 HB2 ASN 64 2HB ASN 64 -4.588 3.316 11.942 499 HB3 ASN 64 3HB ASN 64 -5.919 2.294 12.478 500 HD21 ASN 64 1HD2 ASN 64 -6.598 0.583 11.161 501 HD22 ASN 64 2HD2 ASN 64 -5.580 -0.063 9.923 502 H LYS 65 H LYS 65 -5.255 5.857 11.830 503 HA LYS 65 HA LYS 65 -6.434 6.320 14.311 504 HB2 LYS 65 2HB LYS 65 -5.398 8.467 14.266 505 HB3 LYS 65 3HB LYS 65 -4.320 7.360 13.426 506 HG2 LYS 65 2HG LYS 65 -4.971 8.215 11.301 507 HG3 LYS 65 3HG LYS 65 -6.276 9.162 12.020 508 HD2 LYS 65 2HD LYS 65 -3.827 9.848 13.311 509 HD3 LYS 65 3HD LYS 65 -3.588 9.931 11.564 510 HE2 LYS 65 2HE LYS 65 -4.448 11.999 11.798 511 HE3 LYS 65 3HE LYS 65 -5.991 11.145 11.794 512 HZ1 LYS 65 3HZ LYS 65 -5.267 12.826 13.709 513 HZ2 LYS 65 1HZ LYS 65 -4.666 11.390 14.370 514 HZ3 LYS 65 2HZ LYS 65 -6.306 11.519 13.979 515 H GLU 66 H GLU 66 -7.599 6.976 11.131 516 HA GLU 66 HA GLU 66 -9.593 8.882 12.033 517 HB2 GLU 66 2HB GLU 66 -10.274 8.986 9.697 518 HB3 GLU 66 3HB GLU 66 -8.532 9.170 9.834 519 HG2 GLU 66 2HG GLU 66 -8.099 7.128 8.882 520 HG3 GLU 66 3HG GLU 66 -9.670 6.465 9.330 521 H LYS 67 H LYS 67 -9.284 5.505 11.635 522 HA LYS 67 HA LYS 67 -12.051 4.916 11.191 523 HB2 LYS 67 2HB LYS 67 -9.600 3.331 11.815 524 HB3 LYS 67 3HB LYS 67 -11.169 2.584 12.086 525 HG2 LYS 67 2HG LYS 67 -10.815 3.901 9.476 526 HG3 LYS 67 3HG LYS 67 -9.828 2.465 9.761 527 HD2 LYS 67 2HD LYS 67 -11.846 1.723 8.752 528 HD3 LYS 67 3HD LYS 67 -11.941 1.286 10.459 529 HE2 LYS 67 2HE LYS 67 -14.056 2.201 9.733 530 HE3 LYS 67 3HE LYS 67 -13.291 3.307 10.872 531 HZ1 LYS 67 3HZ LYS 67 -12.597 4.698 9.067 532 HZ2 LYS 67 1HZ LYS 67 -14.261 4.428 8.923 533 HZ3 LYS 67 2HZ LYS 67 -13.180 3.600 7.920 534 H TYR 68 H TYR 68 -9.934 4.325 14.005 535 HA TYR 68 HA TYR 68 -12.251 4.842 15.742 536 HB2 TYR 68 2HB TYR 68 -10.323 2.832 16.718 537 HB3 TYR 68 3HB TYR 68 -12.077 2.869 16.848 538 HD1 TYR 68 HD2 TYR 68 -13.476 1.925 15.084 539 HD2 TYR 68 HD1 TYR 68 -9.232 1.772 14.835 540 HE1 TYR 68 HE2 TYR 68 -13.648 0.234 13.307 541 HE2 TYR 68 HE1 TYR 68 -9.391 0.081 13.056 542 HH TYR 68 HH TYR 68 -10.742 -1.188 11.837 543 H GLY 69 H GLY 69 -8.848 5.078 15.145 544 HA2 GLY 69 2HA GLY 69 -7.299 6.533 16.044 545 HA3 GLY 69 3HA GLY 69 -8.582 7.210 17.037 546 H LYS 70 H LYS 70 -9.037 4.244 17.875 547 HA LYS 70 HA LYS 70 -6.716 3.828 19.580 548 HB2 LYS 70 2HB LYS 70 -9.490 4.211 20.721 549 HB3 LYS 70 3HB LYS 70 -8.066 3.727 21.632 550 HG2 LYS 70 2HG LYS 70 -8.097 5.951 22.104 551 HG3 LYS 70 3HG LYS 70 -7.094 5.971 20.652 552 HD2 LYS 70 2HD LYS 70 -8.542 7.461 19.834 553 HD3 LYS 70 3HD LYS 70 -9.675 6.118 19.669 554 HE2 LYS 70 2HE LYS 70 -10.622 6.588 21.831 555 HE3 LYS 70 3HE LYS 70 -9.401 7.821 22.142 556 HZ1 LYS 70 3HZ LYS 70 -11.684 7.915 20.276 557 HZ2 LYS 70 1HZ LYS 70 -10.342 8.920 20.046 558 HZ3 LYS 70 2HZ LYS 70 -11.244 9.027 21.473 559 HA PRO 71 HA PRO 71 -7.661 -0.415 18.966 560 HB2 PRO 71 2HB PRO 71 -6.703 -1.509 21.259 561 HB3 PRO 71 3HB PRO 71 -5.654 -0.888 19.979 562 HG2 PRO 71 2HG PRO 71 -6.491 0.415 22.541 563 HG3 PRO 71 3HG PRO 71 -4.892 0.375 21.777 564 HD2 PRO 71 2HD PRO 71 -6.538 2.517 21.599 565 HD3 PRO 71 3HD PRO 71 -5.416 2.065 20.300 566 H ASN 72 H ASN 72 -9.288 -1.851 19.315 567 HA ASN 72 HA ASN 72 -11.251 -1.140 21.366 568 HB2 ASN 72 2HB ASN 72 -11.383 -2.235 18.675 569 HB3 ASN 72 3HB ASN 72 -12.324 -3.192 19.816 570 HD21 ASN 72 1HD2 ASN 72 -13.193 -1.475 17.619 571 HD22 ASN 72 2HD2 ASN 72 -14.257 -0.309 18.321 572 H LYS 73 H LYS 73 -9.886 -4.134 19.983 573 HA LYS 73 HA LYS 73 -10.061 -5.333 22.670 574 HB2 LYS 73 2HB LYS 73 -10.628 -6.530 19.968 575 HB3 LYS 73 3HB LYS 73 -10.233 -7.540 21.352 576 HG2 LYS 73 2HG LYS 73 -12.156 -6.753 22.550 577 HG3 LYS 73 3HG LYS 73 -12.511 -5.574 21.285 578 HD2 LYS 73 2HD LYS 73 -12.360 -8.004 19.946 579 HD3 LYS 73 3HD LYS 73 -13.206 -8.383 21.448 580 HE2 LYS 73 2HE LYS 73 -14.815 -6.612 21.007 581 HE3 LYS 73 3HE LYS 73 -13.949 -6.169 19.537 582 HZ1 LYS 73 3HZ LYS 73 -15.284 -7.588 18.500 583 HZ2 LYS 73 1HZ LYS 73 -15.873 -8.234 19.948 584 HZ3 LYS 73 2HZ LYS 73 -14.451 -8.845 19.267 585 H ARG 74 H ARG 74 -7.855 -3.899 21.221 586 HA ARG 74 HA ARG 74 -5.892 -6.030 20.865 587 HB2 ARG 74 2HB ARG 74 -5.973 -3.108 20.215 588 HB3 ARG 74 3HB ARG 74 -4.418 -3.918 20.355 589 HG2 ARG 74 2HG ARG 74 -5.241 -3.801 18.040 590 HG3 ARG 74 3HG ARG 74 -5.006 -5.458 18.602 591 HD2 ARG 74 2HD ARG 74 -7.689 -4.185 18.888 592 HD3 ARG 74 3HD ARG 74 -7.181 -4.772 17.305 593 HE ARG 74 HE ARG 74 -6.774 -6.749 19.298 594 HH11 ARG 74 1HH1 ARG 74 -9.253 -5.221 17.389 595 HH12 ARG 74 2HH1 ARG 74 -10.311 -6.592 17.429 596 HH21 ARG 74 1HH2 ARG 74 -8.159 -8.560 19.358 597 HH22 ARG 74 2HH2 ARG 74 -9.689 -8.491 18.550 598 H LYS 75 H LYS 75 -4.853 -6.734 22.601 599 HA LYS 75 HA LYS 75 -4.840 -5.605 25.119 600 HB2 LYS 75 2HB LYS 75 -4.183 -7.928 24.657 601 HB3 LYS 75 3HB LYS 75 -2.707 -7.360 23.887 602 HG2 LYS 75 2HG LYS 75 -1.994 -6.384 26.032 603 HG3 LYS 75 3HG LYS 75 -3.448 -7.038 26.788 604 HD2 LYS 75 2HD LYS 75 -2.744 -9.293 26.298 605 HD3 LYS 75 3HD LYS 75 -1.353 -8.697 25.388 606 HE2 LYS 75 2HE LYS 75 -0.357 -9.170 27.394 607 HE3 LYS 75 3HE LYS 75 -0.804 -7.485 27.656 608 HZ1 LYS 75 3HZ LYS 75 -2.697 -8.152 28.904 609 HZ2 LYS 75 1HZ LYS 75 -1.371 -9.006 29.518 610 HZ3 LYS 75 2HZ LYS 75 -2.481 -9.781 28.504 611 H GLY 76 H GLY 76 -3.309 -4.425 26.324 612 HA2 GLY 76 2HA GLY 76 -1.459 -3.038 26.647 613 HA3 GLY 76 3HA GLY 76 -1.044 -3.236 24.951 614 H PHE 77 H PHE 77 -4.290 -2.469 25.285 615 HA PHE 77 HA PHE 77 -4.125 -0.053 23.924 616 HB2 PHE 77 2HB PHE 77 -6.465 0.293 24.561 617 HB3 PHE 77 3HB PHE 77 -6.189 -1.380 24.085 618 HD1 PHE 77 HD1 PHE 77 -6.872 0.875 26.891 619 HD2 PHE 77 HD2 PHE 77 -6.376 -3.171 25.667 620 HE1 PHE 77 HE1 PHE 77 -7.828 0.116 29.027 621 HE2 PHE 77 HE2 PHE 77 -7.333 -3.937 27.801 622 HZ PHE 77 HZ PHE 77 -8.061 -2.293 29.484 623 H ASN 78 H ASN 78 -4.205 2.097 24.534 624 HA ASN 78 HA ASN 78 -3.802 3.942 25.803 625 HB2 ASN 78 2HB ASN 78 -5.514 2.313 27.373 626 HB3 ASN 78 3HB ASN 78 -4.290 2.972 28.455 627 HD21 ASN 78 1HD2 ASN 78 -3.803 5.414 27.631 628 HD22 ASN 78 2HD2 ASN 78 -5.227 6.391 27.617 629 H GLU 79 H GLU 79 -1.769 1.810 25.391 630 HA GLU 79 HA GLU 79 0.021 2.536 27.616 631 HB2 GLU 79 2HB GLU 79 -0.739 0.078 27.434 632 HB3 GLU 79 3HB GLU 79 0.311 -0.001 26.027 633 HG2 GLU 79 2HG GLU 79 1.357 -0.811 28.120 634 HG3 GLU 79 3HG GLU 79 2.234 0.505 27.341 635 H GLY 80 H GLY 80 0.150 4.355 25.835 636 HA2 GLY 80 2HA GLY 80 2.256 5.201 24.885 637 HA3 GLY 80 3HA GLY 80 2.426 3.645 24.088 638 H LEU 81 H LEU 81 -0.736 4.156 23.842 639 HA LEU 81 HA LEU 81 -0.747 4.674 21.109 640 HB2 LEU 81 2HB LEU 81 -2.637 3.649 22.129 641 HB3 LEU 81 3HB LEU 81 -2.881 5.026 23.201 642 HG LEU 81 HG LEU 81 -3.164 6.200 20.767 643 HD11 LEU 81 1HD1 LEU 81 -4.858 4.540 19.680 644 HD12 LEU 81 2HD1 LEU 81 -3.892 3.319 20.508 645 HD13 LEU 81 3HD1 LEU 81 -3.133 4.399 19.339 646 HD21 LEU 81 3HD2 LEU 81 -4.636 6.025 22.943 647 HD22 LEU 81 1HD2 LEU 81 -5.547 4.877 21.963 648 HD23 LEU 81 2HD2 LEU 81 -5.336 6.537 21.407 649 H TRP 82 H TRP 82 -0.806 6.865 23.832 650 HA TRP 82 HA TRP 82 -1.410 9.174 22.201 651 HB2 TRP 82 2HB TRP 82 -2.246 9.194 24.454 652 HB3 TRP 82 3HB TRP 82 -0.643 8.870 25.108 653 HD1 TRP 82 HD1 TRP 82 -2.792 11.694 23.706 654 HE1 TRP 82 HE1 TRP 82 -1.646 13.941 24.218 655 HE3 TRP 82 HE3 TRP 82 1.662 9.942 25.503 656 HZ2 TRP 82 HZ2 TRP 82 0.820 14.850 25.248 657 HZ3 TRP 82 HZ3 TRP 82 3.361 11.566 26.230 658 HH2 TRP 82 HH2 TRP 82 2.948 13.969 26.104 659 H GLU 83 H GLU 83 1.353 7.388 23.005 660 HA GLU 83 HA GLU 83 3.220 9.588 22.828 661 HB2 GLU 83 2HB GLU 83 3.531 6.602 23.069 662 HB3 GLU 83 3HB GLU 83 4.910 7.657 22.791 663 HG2 GLU 83 2HG GLU 83 4.535 8.801 24.858 664 HG3 GLU 83 3HG GLU 83 3.018 7.939 25.112 665 H ILE 84 H ILE 84 1.713 7.347 20.689 666 HA ILE 84 HA ILE 84 3.615 7.300 18.613 667 HB ILE 84 HB ILE 84 1.594 5.791 18.850 668 HG12 ILE 84 2HG1 ILE 84 2.091 7.131 16.183 669 HG13 ILE 84 3HG1 ILE 84 2.999 5.778 16.850 670 HG21 ILE 84 1HG2 ILE 84 0.003 7.674 17.228 671 HG22 ILE 84 2HG2 ILE 84 -0.513 6.496 18.433 672 HG23 ILE 84 3HG2 ILE 84 0.148 8.048 18.945 673 HD11 ILE 84 3HD1 ILE 84 0.678 5.726 15.241 674 HD12 ILE 84 1HD1 ILE 84 1.589 4.370 15.905 675 HD13 ILE 84 2HD1 ILE 84 0.255 5.070 16.822 676 H ASP 85 H ASP 85 1.351 9.700 19.627 677 HA ASP 85 HA ASP 85 1.925 11.274 17.203 678 HB2 ASP 85 2HB ASP 85 -0.525 10.590 17.918 679 HB3 ASP 85 3HB ASP 85 -0.353 11.959 19.013 680 H ASN 86 H ASN 86 3.029 10.929 20.182 681 HA ASN 86 HA ASN 86 3.572 13.802 20.486 682 HB2 ASN 86 2HB ASN 86 2.682 11.849 22.594 683 HB3 ASN 86 3HB ASN 86 3.607 13.285 23.021 684 HD21 ASN 86 1HD2 ASN 86 0.648 12.148 21.513 685 HD22 ASN 86 2HD2 ASN 86 -0.267 13.586 21.794 686 H ASN 87 H ASN 87 4.556 10.793 22.126 687 HA ASN 87 HA ASN 87 7.357 11.570 21.653 688 HB2 ASN 87 2HB ASN 87 6.692 11.488 24.034 689 HB3 ASN 87 3HB ASN 87 6.240 9.797 23.836 690 HD21 ASN 87 1HD2 ASN 87 7.876 9.912 25.716 691 HD22 ASN 87 2HD2 ASN 87 9.516 9.583 25.283 692 HA PRO 88 HA PRO 88 6.653 7.782 19.098 693 HB2 PRO 88 2HB PRO 88 8.165 8.641 17.014 694 HB3 PRO 88 3HB PRO 88 6.456 9.054 17.195 695 HG2 PRO 88 2HG PRO 88 8.879 10.676 17.871 696 HG3 PRO 88 3HG PRO 88 7.378 11.185 17.077 697 HD2 PRO 88 2HD PRO 88 7.868 11.650 19.699 698 HD3 PRO 88 3HD PRO 88 6.234 11.359 19.070 699 H LYS 89 H LYS 89 9.269 9.342 20.576 700 HA LYS 89 HA LYS 89 11.016 7.029 20.038 701 HB2 LYS 89 2HB LYS 89 12.032 9.763 20.788 702 HB3 LYS 89 3HB LYS 89 12.931 8.415 20.105 703 HG2 LYS 89 2HG LYS 89 11.304 8.743 18.084 704 HG3 LYS 89 3HG LYS 89 11.120 10.361 18.764 705 HD2 LYS 89 2HD LYS 89 13.841 9.191 18.305 706 HD3 LYS 89 3HD LYS 89 12.951 9.950 16.983 707 HE2 LYS 89 2HE LYS 89 14.181 11.721 17.801 708 HE3 LYS 89 3HE LYS 89 12.659 11.911 18.669 709 HZ1 LYS 89 3HZ LYS 89 13.860 11.880 20.518 710 HZ2 LYS 89 1HZ LYS 89 15.265 11.420 19.697 711 HZ3 LYS 89 2HZ LYS 89 14.176 10.243 20.234 712 H VAL 90 H VAL 90 9.129 6.988 22.082 713 HA VAL 90 HA VAL 90 10.132 7.847 24.581 714 HB VAL 90 HB VAL 90 7.766 7.263 24.220 715 HG11 VAL 90 1HG1 VAL 90 7.226 5.375 23.188 716 HG12 VAL 90 2HG1 VAL 90 8.901 4.824 23.256 717 HG13 VAL 90 3HG1 VAL 90 7.799 4.470 24.588 718 HG21 VAL 90 3HG2 VAL 90 7.513 6.814 26.402 719 HG22 VAL 90 1HG2 VAL 90 8.433 5.313 26.294 720 HG23 VAL 90 2HG2 VAL 90 9.275 6.853 26.466 721 H LYS 91 H LYS 91 11.170 5.408 22.512 722 HA LYS 91 HA LYS 91 11.885 3.282 24.092 723 HB2 LYS 91 2HB LYS 91 13.757 4.429 22.030 724 HB3 LYS 91 3HB LYS 91 13.532 2.743 22.475 725 HG2 LYS 91 2HG LYS 91 11.057 3.293 21.629 726 HG3 LYS 91 3HG LYS 91 11.962 4.452 20.652 727 HD2 LYS 91 2HD LYS 91 13.500 2.322 20.249 728 HD3 LYS 91 3HD LYS 91 11.987 1.482 20.598 729 HE2 LYS 91 2HE LYS 91 12.197 1.840 18.216 730 HE3 LYS 91 3HE LYS 91 10.874 2.816 18.852 731 HZ1 LYS 91 3HZ LYS 91 13.161 3.661 17.446 732 HZ2 LYS 91 1HZ LYS 91 13.176 4.367 18.983 733 HZ3 LYS 91 2HZ LYS 91 11.841 4.582 17.967 734 H PHE 92 H PHE 92 13.607 6.351 23.696 735 HA PHE 92 HA PHE 92 15.312 7.312 24.860 736 HB2 PHE 92 2HB PHE 92 13.495 7.053 26.630 737 HB3 PHE 92 3HB PHE 92 14.391 5.650 27.203 738 HD1 PHE 92 HD2 PHE 92 14.819 9.271 26.461 739 HD2 PHE 92 HD1 PHE 92 16.057 5.922 28.778 740 HE1 PHE 92 HE2 PHE 92 16.244 10.744 27.822 741 HE2 PHE 92 HE1 PHE 92 17.484 7.389 30.143 742 HZ PHE 92 HZ PHE 92 17.580 9.804 29.665 743 H SER 93 H SER 93 16.189 5.239 23.345 744 HA SER 93 HA SER 93 18.279 4.055 25.046 745 HB2 SER 93 2HB SER 93 16.682 2.295 24.481 746 HB3 SER 93 3HB SER 93 16.820 2.692 22.769 747 HG SER 93 HG SER 93 18.395 1.113 24.283 Start of MODEL 20 1 H MET 1 H MET 1 1.928 -0.011 1.665 2 HA MET 1 HA MET 1 1.520 -0.158 -1.237 3 HB2 MET 1 2HB MET 1 2.922 2.025 0.288 4 HB3 MET 1 3HB MET 1 3.302 1.691 -1.396 5 HG2 MET 1 2HG MET 1 1.748 3.365 -1.587 6 HG3 MET 1 3HG MET 1 0.747 1.924 -1.754 7 HE1 MET 1 3HE MET 1 1.536 5.104 0.335 8 HE2 MET 1 1HE MET 1 0.207 5.128 -0.825 9 HE3 MET 1 2HE MET 1 -0.124 5.298 0.899 10 H THR 2 H THR 2 3.854 -0.102 -2.300 11 HA THR 2 HA THR 2 5.313 -2.286 -1.022 12 HB THR 2 HB THR 2 6.407 -2.624 -3.157 13 HG1 THR 2 HG1 THR 2 6.654 -0.893 -4.346 14 HG21 THR 2 3HG2 THR 2 3.893 -3.265 -2.690 15 HG22 THR 2 1HG2 THR 2 4.613 -3.523 -4.278 16 HG23 THR 2 2HG2 THR 2 3.590 -2.115 -3.992 17 H ARG 3 H ARG 3 5.631 1.076 -1.798 18 HA ARG 3 HA ARG 3 8.386 1.403 -1.839 19 HB2 ARG 3 2HB ARG 3 6.388 3.302 -0.599 20 HB3 ARG 3 3HB ARG 3 7.988 3.710 -1.202 21 HG2 ARG 3 2HG ARG 3 5.692 2.707 -2.872 22 HG3 ARG 3 3HG ARG 3 6.229 4.384 -2.753 23 HD2 ARG 3 2HD ARG 3 8.417 3.736 -3.652 24 HD3 ARG 3 3HD ARG 3 7.861 2.068 -3.787 25 HE ARG 3 HE ARG 3 6.141 3.845 -5.184 26 HH11 ARG 3 1HH1 ARG 3 9.226 2.244 -5.378 27 HH12 ARG 3 2HH1 ARG 3 9.258 2.234 -7.110 28 HH21 ARG 3 1HH2 ARG 3 6.172 3.839 -7.465 29 HH22 ARG 3 2HH2 ARG 3 7.522 3.142 -8.296 30 H ASP 4 H ASP 4 9.892 2.041 -0.227 31 HA ASP 4 HA ASP 4 9.543 0.630 2.258 32 HB2 ASP 4 2HB ASP 4 11.795 2.081 0.927 33 HB3 ASP 4 3HB ASP 4 11.894 1.754 2.655 34 H PHE 5 H PHE 5 10.241 1.726 4.337 35 HA PHE 5 HA PHE 5 9.026 4.408 4.478 36 HB2 PHE 5 2HB PHE 5 8.733 2.000 6.202 37 HB3 PHE 5 3HB PHE 5 8.736 3.569 7.001 38 HD1 PHE 5 HD1 PHE 5 7.010 5.250 6.420 39 HD2 PHE 5 HD2 PHE 5 6.873 1.260 4.945 40 HE1 PHE 5 HE1 PHE 5 4.635 5.546 5.851 41 HE2 PHE 5 HE2 PHE 5 4.498 1.550 4.373 42 HZ PHE 5 HZ PHE 5 3.376 3.695 4.825 43 H LYS 6 H LYS 6 9.705 5.398 6.772 44 HA LYS 6 HA LYS 6 12.647 5.244 6.871 45 HB2 LYS 6 2HB LYS 6 10.754 7.543 6.969 46 HB3 LYS 6 3HB LYS 6 12.226 7.652 7.926 47 HG2 LYS 6 2HG LYS 6 13.592 7.416 5.984 48 HG3 LYS 6 3HG LYS 6 12.188 7.045 4.979 49 HD2 LYS 6 2HD LYS 6 11.330 9.275 5.264 50 HD3 LYS 6 3HD LYS 6 12.598 9.658 6.430 51 HE2 LYS 6 2HE LYS 6 13.178 8.856 3.589 52 HE3 LYS 6 3HE LYS 6 12.930 10.532 4.076 53 HZ1 LYS 6 3HZ LYS 6 15.255 8.945 4.311 54 HZ2 LYS 6 1HZ LYS 6 14.766 9.457 5.848 55 HZ3 LYS 6 2HZ LYS 6 15.058 10.595 4.632 56 HA PRO 7 HA PRO 7 12.545 4.244 11.142 57 HB2 PRO 7 2HB PRO 7 14.606 5.703 12.139 58 HB3 PRO 7 3HB PRO 7 14.842 4.283 11.112 59 HG2 PRO 7 2HG PRO 7 14.914 7.184 10.378 60 HG3 PRO 7 3HG PRO 7 15.999 5.875 9.874 61 HD2 PRO 7 2HD PRO 7 14.005 6.805 8.295 62 HD3 PRO 7 3HD PRO 7 14.533 5.110 8.267 63 H GLY 8 H GLY 8 11.083 4.860 12.600 64 HA2 GLY 8 2HA GLY 8 10.262 6.240 14.319 65 HA3 GLY 8 3HA GLY 8 11.124 7.598 13.612 66 H ASP 9 H ASP 9 9.201 5.595 11.554 67 HA ASP 9 HA ASP 9 7.394 7.842 11.102 68 HB2 ASP 9 2HB ASP 9 8.246 5.461 9.546 69 HB3 ASP 9 3HB ASP 9 6.608 6.044 9.267 70 H LEU 10 H LEU 10 5.178 7.736 11.323 71 HA LEU 10 HA LEU 10 4.219 5.739 13.194 72 HB2 LEU 10 2HB LEU 10 2.783 8.094 11.978 73 HB3 LEU 10 3HB LEU 10 2.218 7.112 13.328 74 HG LEU 10 HG LEU 10 3.004 9.028 14.364 75 HD11 LEU 10 1HD1 LEU 10 4.802 8.344 15.686 76 HD12 LEU 10 2HD1 LEU 10 5.535 7.420 14.376 77 HD13 LEU 10 3HD1 LEU 10 4.063 6.835 15.150 78 HD21 LEU 10 3HD2 LEU 10 4.318 9.529 12.038 79 HD22 LEU 10 1HD2 LEU 10 5.660 9.197 13.132 80 HD23 LEU 10 2HD2 LEU 10 4.502 10.470 13.518 81 H ILE 11 H ILE 11 3.666 3.838 12.330 82 HA ILE 11 HA ILE 11 1.637 3.828 10.228 83 HB ILE 11 HB ILE 11 2.780 2.013 9.008 84 HG12 ILE 11 2HG1 ILE 11 5.392 2.060 9.548 85 HG13 ILE 11 3HG1 ILE 11 4.796 2.455 11.157 86 HG21 ILE 11 1HG2 ILE 11 2.992 4.475 8.436 87 HG22 ILE 11 2HG2 ILE 11 4.593 4.403 9.170 88 HG23 ILE 11 3HG2 ILE 11 4.221 3.403 7.766 89 HD11 ILE 11 3HD1 ILE 11 3.243 0.304 10.331 90 HD12 ILE 11 1HD1 ILE 11 4.880 -0.078 9.798 91 HD13 ILE 11 2HD1 ILE 11 4.567 0.282 11.496 92 H PHE 12 H PHE 12 0.203 2.143 10.350 93 HA PHE 12 HA PHE 12 0.196 0.666 12.834 94 HB2 PHE 12 2HB PHE 12 -1.755 1.211 10.658 95 HB3 PHE 12 3HB PHE 12 -1.983 -0.269 11.585 96 HD1 PHE 12 HD2 PHE 12 -0.985 3.226 12.443 97 HD2 PHE 12 HD1 PHE 12 -3.619 -0.039 13.166 98 HE1 PHE 12 HE2 PHE 12 -2.090 4.517 14.222 99 HE2 PHE 12 HE1 PHE 12 -4.729 1.247 14.946 100 HZ PHE 12 HZ PHE 12 -3.964 3.527 15.477 101 H ALA 13 H ALA 13 1.264 -1.182 13.023 102 HA ALA 13 HA ALA 13 2.016 -2.743 10.723 103 HB1 ALA 13 1HB ALA 13 2.583 -4.201 13.053 104 HB2 ALA 13 2HB ALA 13 3.698 -3.237 12.084 105 HB3 ALA 13 3HB ALA 13 2.861 -2.505 13.453 106 H LYS 14 H LYS 14 1.027 -4.490 9.928 107 HA LYS 14 HA LYS 14 -1.302 -5.533 11.389 108 HB2 LYS 14 2HB LYS 14 -1.956 -4.692 9.260 109 HB3 LYS 14 3HB LYS 14 -0.611 -5.491 8.454 110 HG2 LYS 14 2HG LYS 14 -2.772 -6.591 8.042 111 HG3 LYS 14 3HG LYS 14 -1.603 -7.651 8.833 112 HD2 LYS 14 2HD LYS 14 -2.725 -7.587 10.861 113 HD3 LYS 14 3HD LYS 14 -3.550 -6.076 10.471 114 HE2 LYS 14 2HE LYS 14 -5.081 -7.990 10.431 115 HE3 LYS 14 3HE LYS 14 -4.939 -7.230 8.847 116 HZ1 LYS 14 3HZ LYS 14 -3.076 -9.387 9.321 117 HZ2 LYS 14 1HZ LYS 14 -4.031 -9.058 7.963 118 HZ3 LYS 14 2HZ LYS 14 -4.700 -9.861 9.293 119 H MET 15 H MET 15 -0.694 -7.237 12.581 120 HA MET 15 HA MET 15 1.304 -9.098 11.593 121 HB2 MET 15 2HB MET 15 -0.013 -8.564 14.199 122 HB3 MET 15 3HB MET 15 0.522 -10.213 13.905 123 HG2 MET 15 2HG MET 15 2.486 -8.121 13.274 124 HG3 MET 15 3HG MET 15 2.059 -8.277 14.977 125 HE1 MET 15 3HE MET 15 3.128 -11.624 16.083 126 HE2 MET 15 1HE MET 15 1.808 -10.454 16.093 127 HE3 MET 15 2HE MET 15 1.723 -11.870 15.044 128 H LYS 16 H LYS 16 0.915 -11.083 10.796 129 HA LYS 16 HA LYS 16 -1.544 -11.790 9.738 130 HB2 LYS 16 2HB LYS 16 0.748 -12.737 9.171 131 HB3 LYS 16 3HB LYS 16 0.557 -13.789 10.568 132 HG2 LYS 16 2HG LYS 16 -0.164 -15.144 8.864 133 HG3 LYS 16 3HG LYS 16 -1.686 -14.447 9.424 134 HD2 LYS 16 2HD LYS 16 -1.900 -14.138 7.162 135 HD3 LYS 16 3HD LYS 16 -1.130 -12.616 7.616 136 HE2 LYS 16 2HE LYS 16 0.926 -13.255 6.758 137 HE3 LYS 16 3HE LYS 16 0.541 -14.973 6.844 138 HZ1 LYS 16 3HZ LYS 16 0.260 -14.671 4.638 139 HZ2 LYS 16 1HZ LYS 16 -0.107 -13.026 4.777 140 HZ3 LYS 16 2HZ LYS 16 -1.290 -14.187 5.112 141 H GLY 17 H GLY 17 -3.370 -12.110 10.833 142 HA2 GLY 17 2HA GLY 17 -4.746 -13.572 12.113 143 HA3 GLY 17 3HA GLY 17 -3.331 -14.043 13.042 144 H TYR 18 H TYR 18 -3.491 -10.706 12.547 145 HA TYR 18 HA TYR 18 -5.070 -10.190 14.939 146 HB2 TYR 18 2HB TYR 18 -2.264 -9.103 14.754 147 HB3 TYR 18 3HB TYR 18 -3.354 -9.068 16.136 148 HD1 TYR 18 HD1 TYR 18 -1.179 -11.233 14.088 149 HD2 TYR 18 HD2 TYR 18 -3.506 -10.918 17.636 150 HE1 TYR 18 HE1 TYR 18 -0.173 -13.315 14.925 151 HE2 TYR 18 HE2 TYR 18 -2.505 -12.999 18.483 152 HH TYR 18 HH TYR 18 -1.237 -14.777 17.963 153 HA PRO 19 HA PRO 19 -6.251 -6.566 12.759 154 HB2 PRO 19 2HB PRO 19 -6.820 -4.892 14.819 155 HB3 PRO 19 3HB PRO 19 -7.848 -6.262 14.383 156 HG2 PRO 19 2HG PRO 19 -5.793 -6.050 16.549 157 HG3 PRO 19 3HG PRO 19 -7.409 -6.776 16.608 158 HD2 PRO 19 2HD PRO 19 -5.158 -8.254 16.330 159 HD3 PRO 19 3HD PRO 19 -6.706 -8.728 15.603 160 H HIS 20 H HIS 20 -5.831 -4.144 12.684 161 HA HIS 20 HA HIS 20 -3.039 -3.698 12.481 162 HB2 HIS 20 2HB HIS 20 -5.173 -1.565 12.461 163 HB3 HIS 20 3HB HIS 20 -3.596 -1.520 11.679 164 HD1 HIS 20 HD1 HIS 20 -3.620 -4.152 10.153 165 HD2 HIS 20 HD2 HIS 20 -6.884 -1.590 10.358 166 HE1 HIS 20 HE1 HIS 20 -5.024 -4.690 8.137 167 H TRP 21 H TRP 21 -1.691 -2.331 13.662 168 HA TRP 21 HA TRP 21 -2.700 -1.146 16.121 169 HB2 TRP 21 2HB TRP 21 -2.141 -3.366 16.882 170 HB3 TRP 21 3HB TRP 21 -0.575 -3.296 16.080 171 HD1 TRP 21 HD1 TRP 21 1.264 -1.580 17.181 172 HE1 TRP 21 HE1 TRP 21 1.574 -0.847 19.629 173 HE3 TRP 21 HE3 TRP 21 -3.331 -2.879 19.006 174 HZ2 TRP 21 HZ2 TRP 21 0.071 -0.824 22.018 175 HZ3 TRP 21 HZ3 TRP 21 -3.815 -2.469 21.384 176 HH2 TRP 21 HH2 TRP 21 -2.148 -1.463 22.857 177 HA PRO 22 HA PRO 22 0.223 1.943 14.953 178 HB2 PRO 22 2HB PRO 22 0.312 3.308 17.298 179 HB3 PRO 22 3HB PRO 22 -1.059 3.397 16.186 180 HG2 PRO 22 2HG PRO 22 -0.745 1.769 18.678 181 HG3 PRO 22 3HG PRO 22 -2.148 2.695 18.117 182 HD2 PRO 22 2HD PRO 22 -1.966 0.009 17.829 183 HD3 PRO 22 3HD PRO 22 -2.817 1.039 16.660 184 H ALA 23 H ALA 23 2.298 1.399 14.686 185 HA ALA 23 HA ALA 23 3.908 0.844 17.087 186 HB1 ALA 23 1HB ALA 23 3.731 -1.283 16.150 187 HB2 ALA 23 2HB ALA 23 3.853 -0.670 14.500 188 HB3 ALA 23 3HB ALA 23 5.275 -0.684 15.543 189 H ARG 24 H ARG 24 6.383 0.785 16.170 190 HA ARG 24 HA ARG 24 6.730 3.278 14.638 191 HB2 ARG 24 2HB ARG 24 7.238 3.809 16.911 192 HB3 ARG 24 3HB ARG 24 8.196 2.346 17.104 193 HG2 ARG 24 2HG ARG 24 9.079 4.218 15.002 194 HG3 ARG 24 3HG ARG 24 9.259 4.760 16.672 195 HD2 ARG 24 2HD ARG 24 10.410 2.580 17.149 196 HD3 ARG 24 3HD ARG 24 10.393 2.270 15.413 197 HE ARG 24 HE ARG 24 12.086 3.800 15.150 198 HH11 ARG 24 1HH1 ARG 24 10.742 4.084 18.349 199 HH12 ARG 24 2HH1 ARG 24 11.984 5.150 18.917 200 HH21 ARG 24 1HH2 ARG 24 13.726 5.203 15.886 201 HH22 ARG 24 2HH2 ARG 24 13.680 5.787 17.515 202 H VAL 25 H VAL 25 8.231 3.270 13.046 203 HA VAL 25 HA VAL 25 9.370 0.708 12.312 204 HB VAL 25 HB VAL 25 9.527 3.371 10.892 205 HG11 VAL 25 1HG1 VAL 25 11.229 2.281 9.869 206 HG12 VAL 25 2HG1 VAL 25 10.620 0.685 10.312 207 HG13 VAL 25 3HG1 VAL 25 9.901 1.560 8.960 208 HG21 VAL 25 3HG2 VAL 25 7.454 3.008 10.181 209 HG22 VAL 25 1HG2 VAL 25 7.935 1.438 9.536 210 HG23 VAL 25 2HG2 VAL 25 7.363 1.571 11.199 211 H ASP 26 H ASP 26 11.493 0.162 12.313 212 HA ASP 26 HA ASP 26 13.327 2.051 13.619 213 HB2 ASP 26 2HB ASP 26 12.804 -0.353 14.517 214 HB3 ASP 26 3HB ASP 26 13.932 -0.864 13.265 215 H GLU 27 H GLU 27 15.568 2.086 12.895 216 HA GLU 27 HA GLU 27 15.725 2.281 10.040 217 HB2 GLU 27 2HB GLU 27 16.930 3.659 11.966 218 HB3 GLU 27 3HB GLU 27 18.168 2.431 11.741 219 HG2 GLU 27 2HG GLU 27 18.402 3.020 9.421 220 HG3 GLU 27 3HG GLU 27 17.062 4.159 9.541 221 H VAL 28 H VAL 28 17.603 1.329 8.836 222 HA VAL 28 HA VAL 28 17.500 -1.486 8.962 223 HB VAL 28 HB VAL 28 19.416 -1.385 7.316 224 HG11 VAL 28 1HG1 VAL 28 17.005 0.314 6.682 225 HG12 VAL 28 2HG1 VAL 28 18.041 -0.511 5.516 226 HG13 VAL 28 3HG1 VAL 28 17.054 -1.448 6.637 227 HG21 VAL 28 3HG2 VAL 28 20.172 0.879 8.305 228 HG22 VAL 28 1HG2 VAL 28 20.275 0.639 6.560 229 HG23 VAL 28 2HG2 VAL 28 18.946 1.574 7.245 230 HA PRO 29 HA PRO 29 20.665 -2.589 11.798 231 HB2 PRO 29 2HB PRO 29 21.630 -4.856 10.658 232 HB3 PRO 29 3HB PRO 29 20.051 -4.775 11.449 233 HG2 PRO 29 2HG PRO 29 20.719 -4.635 8.534 234 HG3 PRO 29 3HG PRO 29 19.411 -5.520 9.341 235 HD2 PRO 29 2HD PRO 29 19.013 -3.152 8.090 236 HD3 PRO 29 3HD PRO 29 18.083 -3.645 9.520 237 H ASP 30 H ASP 30 23.042 -3.324 11.846 238 HA ASP 30 HA ASP 30 24.627 -1.355 10.637 239 HB2 ASP 30 2HB ASP 30 25.638 -4.007 11.670 240 HB3 ASP 30 3HB ASP 30 26.512 -2.480 11.590 241 H GLY 31 H GLY 31 23.483 -4.358 9.442 242 HA2 GLY 31 2HA GLY 31 23.649 -4.490 6.952 243 HA3 GLY 31 3HA GLY 31 25.364 -4.168 7.169 244 H ALA 32 H ALA 32 25.730 -5.856 9.451 245 HA ALA 32 HA ALA 32 25.340 -8.503 8.212 246 HB1 ALA 32 1HB ALA 32 27.687 -7.696 8.137 247 HB2 ALA 32 2HB ALA 32 27.690 -7.663 9.901 248 HB3 ALA 32 3HB ALA 32 27.481 -9.192 9.049 249 H VAL 33 H VAL 33 23.796 -6.951 10.300 250 HA VAL 33 HA VAL 33 24.146 -8.661 12.646 251 HB VAL 33 HB VAL 33 22.131 -6.443 12.393 252 HG11 VAL 33 1HG1 VAL 33 23.375 -7.999 14.614 253 HG12 VAL 33 2HG1 VAL 33 22.819 -6.352 14.916 254 HG13 VAL 33 3HG1 VAL 33 21.685 -7.576 14.345 255 HG21 VAL 33 3HG2 VAL 33 25.064 -6.232 13.034 256 HG22 VAL 33 1HG2 VAL 33 24.153 -5.365 11.797 257 HG23 VAL 33 2HG2 VAL 33 23.888 -5.005 13.503 258 H LYS 34 H LYS 34 23.177 -9.912 10.305 259 HA LYS 34 HA LYS 34 21.500 -11.245 9.528 260 HB2 LYS 34 2HB LYS 34 20.767 -11.247 12.462 261 HB3 LYS 34 3HB LYS 34 20.157 -12.386 11.268 262 HG2 LYS 34 2HG LYS 34 22.459 -13.163 10.869 263 HG3 LYS 34 3HG LYS 34 23.025 -12.065 12.130 264 HD2 LYS 34 2HD LYS 34 22.062 -13.300 13.823 265 HD3 LYS 34 3HD LYS 34 20.853 -14.016 12.755 266 HE2 LYS 34 2HE LYS 34 23.801 -14.634 12.633 267 HE3 LYS 34 3HE LYS 34 22.627 -15.598 13.526 268 HZ1 LYS 34 3HZ LYS 34 23.198 -15.578 10.729 269 HZ2 LYS 34 1HZ LYS 34 21.548 -15.352 11.029 270 HZ3 LYS 34 2HZ LYS 34 22.340 -16.714 11.643 271 HA PRO 35 HA PRO 35 18.468 -7.729 9.452 272 HB2 PRO 35 2HB PRO 35 18.402 -7.539 6.744 273 HB3 PRO 35 3HB PRO 35 19.598 -6.697 7.738 274 HG2 PRO 35 2HG PRO 35 19.872 -9.253 6.204 275 HG3 PRO 35 3HG PRO 35 21.011 -7.900 6.336 276 HD2 PRO 35 2HD PRO 35 21.287 -10.182 7.768 277 HD3 PRO 35 3HD PRO 35 21.797 -8.598 8.387 278 HA PRO 36 HA PRO 36 14.906 -10.146 8.555 279 HB2 PRO 36 2HB PRO 36 13.243 -8.351 7.380 280 HB3 PRO 36 3HB PRO 36 13.631 -8.315 9.104 281 HG2 PRO 36 2HG PRO 36 14.776 -6.684 6.870 282 HG3 PRO 36 3HG PRO 36 14.289 -6.169 8.495 283 HD2 PRO 36 2HD PRO 36 16.873 -6.625 7.824 284 HD3 PRO 36 3HD PRO 36 16.243 -6.926 9.457 285 H THR 37 H THR 37 13.548 -11.042 6.867 286 HA THR 37 HA THR 37 14.929 -11.076 4.279 287 HB THR 37 HB THR 37 12.926 -13.024 5.437 288 HG1 THR 37 HG1 THR 37 15.685 -13.425 4.870 289 HG21 THR 37 3HG2 THR 37 13.710 -12.566 2.734 290 HG22 THR 37 1HG2 THR 37 12.641 -13.814 3.374 291 HG23 THR 37 2HG2 THR 37 14.375 -14.113 3.257 292 H ASN 38 H ASN 38 14.083 -9.347 3.184 293 HA ASN 38 HA ASN 38 12.614 -8.195 1.884 294 HB2 ASN 38 2HB ASN 38 12.089 -10.645 1.200 295 HB3 ASN 38 3HB ASN 38 10.626 -10.433 2.157 296 HD21 ASN 38 1HD2 ASN 38 8.949 -9.356 1.310 297 HD22 ASN 38 2HD2 ASN 38 8.950 -8.602 -0.245 298 H LYS 39 H LYS 39 12.540 -8.029 4.821 299 HA LYS 39 HA LYS 39 9.945 -6.703 5.040 300 HB2 LYS 39 2HB LYS 39 10.993 -8.626 7.125 301 HB3 LYS 39 3HB LYS 39 9.532 -7.656 7.260 302 HG2 LYS 39 2HG LYS 39 8.576 -8.857 5.344 303 HG3 LYS 39 3HG LYS 39 10.031 -9.853 5.261 304 HD2 LYS 39 2HD LYS 39 9.405 -10.213 7.840 305 HD3 LYS 39 3HD LYS 39 7.790 -9.912 7.195 306 HE2 LYS 39 2HE LYS 39 8.047 -12.231 7.045 307 HE3 LYS 39 3HE LYS 39 8.380 -11.651 5.414 308 HZ1 LYS 39 3HZ LYS 39 9.960 -13.358 6.477 309 HZ2 LYS 39 1HZ LYS 39 10.584 -12.037 7.330 310 HZ3 LYS 39 2HZ LYS 39 10.629 -12.049 5.640 311 H LEU 40 H LEU 40 9.903 -5.546 7.319 312 HA LEU 40 HA LEU 40 12.562 -4.408 7.852 313 HB2 LEU 40 2HB LEU 40 11.138 -2.236 8.267 314 HB3 LEU 40 3HB LEU 40 11.738 -2.652 6.663 315 HG LEU 40 HG LEU 40 9.004 -3.550 7.431 316 HD11 LEU 40 1HD1 LEU 40 9.868 -0.771 7.336 317 HD12 LEU 40 2HD1 LEU 40 8.360 -1.472 7.923 318 HD13 LEU 40 3HD1 LEU 40 8.565 -1.134 6.204 319 HD21 LEU 40 3HD2 LEU 40 9.456 -4.288 5.324 320 HD22 LEU 40 1HD2 LEU 40 10.553 -2.954 4.970 321 HD23 LEU 40 2HD2 LEU 40 8.809 -2.695 4.931 322 HA PRO 41 HA PRO 41 11.678 -4.894 12.122 323 HB2 PRO 41 2HB PRO 41 12.889 -2.715 13.198 324 HB3 PRO 41 3HB PRO 41 13.788 -4.089 12.544 325 HG2 PRO 41 2HG PRO 41 13.177 -1.448 11.275 326 HG3 PRO 41 3HG PRO 41 14.692 -2.368 11.268 327 HD2 PRO 41 2HD PRO 41 12.980 -2.366 9.171 328 HD3 PRO 41 3HD PRO 41 13.978 -3.774 9.587 329 H ILE 42 H ILE 42 9.793 -4.622 13.124 330 HA ILE 42 HA ILE 42 8.585 -1.934 13.153 331 HB ILE 42 HB ILE 42 7.012 -4.506 13.134 332 HG12 ILE 42 2HG1 ILE 42 8.201 -4.318 11.013 333 HG13 ILE 42 3HG1 ILE 42 6.489 -3.987 10.774 334 HG21 ILE 42 1HG2 ILE 42 5.328 -3.172 13.693 335 HG22 ILE 42 2HG2 ILE 42 6.366 -1.751 13.588 336 HG23 ILE 42 3HG2 ILE 42 5.527 -2.337 12.152 337 HD11 ILE 42 3HD1 ILE 42 7.048 -2.103 9.771 338 HD12 ILE 42 1HD1 ILE 42 7.697 -1.514 11.301 339 HD13 ILE 42 2HD1 ILE 42 8.749 -2.356 10.162 340 H PHE 43 H PHE 43 8.966 -1.229 15.168 341 HA PHE 43 HA PHE 43 8.888 -3.009 17.438 342 HB2 PHE 43 2HB PHE 43 10.506 -1.112 17.258 343 HB3 PHE 43 3HB PHE 43 9.152 0.003 17.406 344 HD1 PHE 43 HD2 PHE 43 10.255 -3.081 19.203 345 HD2 PHE 43 HD1 PHE 43 9.037 0.989 19.464 346 HE1 PHE 43 HE2 PHE 43 10.444 -3.185 21.653 347 HE2 PHE 43 HE1 PHE 43 9.224 0.892 21.915 348 HZ PHE 43 HZ PHE 43 9.927 -1.198 23.013 349 H PHE 44 H PHE 44 6.964 -3.676 18.138 350 HA PHE 44 HA PHE 44 4.564 -2.172 17.794 351 HB2 PHE 44 2HB PHE 44 5.296 -4.766 19.076 352 HB3 PHE 44 3HB PHE 44 3.759 -4.026 19.512 353 HD1 PHE 44 HD2 PHE 44 2.727 -2.918 17.101 354 HD2 PHE 44 HD1 PHE 44 4.932 -6.518 17.645 355 HE1 PHE 44 HE2 PHE 44 1.702 -3.849 15.068 356 HE2 PHE 44 HE1 PHE 44 3.911 -7.455 15.612 357 HZ PHE 44 HZ PHE 44 2.293 -6.121 14.321 358 H PHE 45 H PHE 45 4.001 -0.470 18.963 359 HA PHE 45 HA PHE 45 5.234 0.107 21.491 360 HB2 PHE 45 2HB PHE 45 4.776 2.169 20.748 361 HB3 PHE 45 3HB PHE 45 3.690 1.539 19.513 362 HD1 PHE 45 HD2 PHE 45 1.304 1.356 19.929 363 HD2 PHE 45 HD1 PHE 45 3.942 2.958 22.860 364 HE1 PHE 45 HE2 PHE 45 -0.620 2.284 21.149 365 HE2 PHE 45 HE1 PHE 45 2.022 3.888 24.085 366 HZ PHE 45 HZ PHE 45 -0.263 3.553 23.229 367 H GLY 46 H GLY 46 4.175 0.350 23.504 368 HA2 GLY 46 2HA GLY 46 2.441 0.045 25.048 369 HA3 GLY 46 3HA GLY 46 1.460 -0.663 23.774 370 H THR 47 H THR 47 3.359 -2.602 22.902 371 HA THR 47 HA THR 47 3.291 -4.422 25.219 372 HB THR 47 HB THR 47 3.031 -6.269 23.722 373 HG1 THR 47 HG1 THR 47 3.758 -4.369 21.785 374 HG21 THR 47 3HG2 THR 47 0.923 -5.708 22.574 375 HG22 THR 47 1HG2 THR 47 1.241 -3.997 22.853 376 HG23 THR 47 2HG2 THR 47 0.969 -5.078 24.220 377 H HIS 48 H HIS 48 5.368 -2.627 23.393 378 HA HIS 48 HA HIS 48 7.607 -2.666 22.966 379 HB2 HIS 48 2HB HIS 48 7.404 -4.235 25.527 380 HB3 HIS 48 3HB HIS 48 8.961 -3.893 24.779 381 HD1 HIS 48 HD1 HIS 48 7.746 -0.936 23.890 382 HD2 HIS 48 HD2 HIS 48 8.200 -2.560 27.687 383 HE1 HIS 48 HE1 HIS 48 7.843 1.030 25.455 384 H GLU 49 H GLU 49 6.041 -4.630 21.581 385 HA GLU 49 HA GLU 49 7.791 -6.973 21.475 386 HB2 GLU 49 2HB GLU 49 5.136 -6.434 20.131 387 HB3 GLU 49 3HB GLU 49 6.044 -7.934 20.008 388 HG2 GLU 49 2HG GLU 49 5.753 -8.381 22.337 389 HG3 GLU 49 3HG GLU 49 5.030 -6.795 22.599 390 H THR 50 H THR 50 7.984 -7.854 19.099 391 HA THR 50 HA THR 50 8.488 -5.713 17.182 392 HB THR 50 HB THR 50 10.639 -5.757 18.117 393 HG1 THR 50 HG1 THR 50 11.081 -7.732 16.169 394 HG21 THR 50 3HG2 THR 50 10.967 -7.468 19.553 395 HG22 THR 50 1HG2 THR 50 11.713 -8.247 18.158 396 HG23 THR 50 2HG2 THR 50 10.037 -8.603 18.575 397 H ALA 51 H ALA 51 7.839 -6.302 15.218 398 HA ALA 51 HA ALA 51 7.871 -9.152 14.501 399 HB1 ALA 51 1HB ALA 51 5.602 -8.644 15.185 400 HB2 ALA 51 2HB ALA 51 5.550 -7.275 14.074 401 HB3 ALA 51 3HB ALA 51 5.665 -8.917 13.443 402 H PHE 52 H PHE 52 8.503 -9.589 12.453 403 HA PHE 52 HA PHE 52 9.425 -7.337 10.851 404 HB2 PHE 52 2HB PHE 52 9.984 -10.285 10.854 405 HB3 PHE 52 3HB PHE 52 10.374 -9.315 9.437 406 HD1 PHE 52 HD2 PHE 52 11.442 -6.879 10.411 407 HD2 PHE 52 HD1 PHE 52 11.885 -10.794 12.022 408 HE1 PHE 52 HE2 PHE 52 13.565 -6.205 11.457 409 HE2 PHE 52 HE1 PHE 52 14.008 -10.125 13.072 410 HZ PHE 52 HZ PHE 52 14.851 -7.829 12.789 411 H LEU 53 H LEU 53 8.047 -6.493 9.440 412 HA LEU 53 HA LEU 53 6.512 -8.302 7.720 413 HB2 LEU 53 2HB LEU 53 5.282 -5.799 8.827 414 HB3 LEU 53 3HB LEU 53 4.492 -7.131 7.986 415 HG LEU 53 HG LEU 53 5.727 -7.433 10.714 416 HD11 LEU 53 1HD1 LEU 53 4.067 -5.745 10.974 417 HD12 LEU 53 2HD1 LEU 53 3.377 -7.261 11.550 418 HD13 LEU 53 3HD1 LEU 53 2.922 -6.632 9.967 419 HD21 LEU 53 3HD2 LEU 53 4.329 -9.162 8.827 420 HD22 LEU 53 1HD2 LEU 53 3.627 -9.179 10.445 421 HD23 LEU 53 2HD2 LEU 53 5.330 -9.576 10.220 422 H GLY 54 H GLY 54 6.481 -7.719 5.619 423 HA2 GLY 54 2HA GLY 54 8.242 -5.739 4.672 424 HA3 GLY 54 3HA GLY 54 7.038 -6.579 3.707 425 HA PRO 55 HA PRO 55 5.954 -2.034 4.111 426 HB2 PRO 55 2HB PRO 55 5.935 -1.508 1.448 427 HB3 PRO 55 3HB PRO 55 7.388 -1.370 2.444 428 HG2 PRO 55 2HG PRO 55 6.534 -3.600 0.640 429 HG3 PRO 55 3HG PRO 55 8.140 -2.874 0.838 430 HD2 PRO 55 2HD PRO 55 7.447 -5.217 2.005 431 HD3 PRO 55 3HD PRO 55 8.588 -4.079 2.750 432 H LYS 56 H LYS 56 4.891 -4.527 1.830 433 HA LYS 56 HA LYS 56 2.340 -3.374 1.329 434 HB2 LYS 56 2HB LYS 56 3.034 -6.295 1.056 435 HB3 LYS 56 3HB LYS 56 1.829 -5.381 0.159 436 HG2 LYS 56 2HG LYS 56 3.671 -4.068 -0.866 437 HG3 LYS 56 3HG LYS 56 4.821 -5.136 -0.058 438 HD2 LYS 56 2HD LYS 56 2.657 -6.264 -1.796 439 HD3 LYS 56 3HD LYS 56 4.142 -5.632 -2.510 440 HE2 LYS 56 2HE LYS 56 5.462 -7.256 -1.517 441 HE3 LYS 56 3HE LYS 56 4.282 -7.583 -0.249 442 HZ1 LYS 56 3HZ LYS 56 3.471 -8.152 -2.991 443 HZ2 LYS 56 1HZ LYS 56 3.120 -8.988 -1.563 444 HZ3 LYS 56 2HZ LYS 56 4.625 -9.183 -2.309 445 H ASP 57 H ASP 57 3.617 -4.916 4.023 446 HA ASP 57 HA ASP 57 1.037 -5.962 4.920 447 HB2 ASP 57 2HB ASP 57 3.871 -6.385 5.710 448 HB3 ASP 57 3HB ASP 57 2.657 -6.529 6.977 449 H ILE 58 H ILE 58 3.294 -3.376 5.503 450 HA ILE 58 HA ILE 58 1.829 -2.491 7.870 451 HB ILE 58 HB ILE 58 3.578 -0.716 7.997 452 HG12 ILE 58 2HG1 ILE 58 4.887 -2.278 5.761 453 HG13 ILE 58 3HG1 ILE 58 4.108 -0.713 5.558 454 HG21 ILE 58 1HG2 ILE 58 5.433 -2.807 8.063 455 HG22 ILE 58 2HG2 ILE 58 4.449 -2.204 9.396 456 HG23 ILE 58 3HG2 ILE 58 3.870 -3.546 8.411 457 HD11 ILE 58 3HD1 ILE 58 6.436 -1.209 7.394 458 HD12 ILE 58 1HD1 ILE 58 6.580 -0.617 5.739 459 HD13 ILE 58 2HD1 ILE 58 5.732 0.346 6.950 460 H PHE 59 H PHE 59 0.549 -0.718 7.941 461 HA PHE 59 HA PHE 59 0.207 0.790 5.433 462 HB2 PHE 59 2HB PHE 59 -1.764 -0.475 7.238 463 HB3 PHE 59 3HB PHE 59 -2.181 1.136 6.664 464 HD1 PHE 59 HD2 PHE 59 -0.992 -2.161 5.405 465 HD2 PHE 59 HD1 PHE 59 -3.249 1.365 4.637 466 HE1 PHE 59 HE2 PHE 59 -1.770 -3.126 3.279 467 HE2 PHE 59 HE1 PHE 59 -4.031 0.405 2.510 468 HZ PHE 59 HZ PHE 59 -3.291 -1.842 1.828 469 HA PRO 60 HA PRO 60 0.883 4.553 7.581 470 HB2 PRO 60 2HB PRO 60 -0.959 6.212 6.474 471 HB3 PRO 60 3HB PRO 60 0.475 5.651 5.605 472 HG2 PRO 60 2HG PRO 60 -2.339 4.638 5.472 473 HG3 PRO 60 3HG PRO 60 -1.190 4.926 4.152 474 HD2 PRO 60 2HD PRO 60 -1.667 2.456 5.153 475 HD3 PRO 60 3HD PRO 60 -0.083 2.937 4.512 476 H TYR 61 H TYR 61 0.372 5.271 9.552 477 HA TYR 61 HA TYR 61 -1.931 4.393 10.923 478 HB2 TYR 61 2HB TYR 61 -0.936 5.254 12.775 479 HB3 TYR 61 3HB TYR 61 0.466 5.345 11.715 480 HD1 TYR 61 HD2 TYR 61 0.828 7.564 10.449 481 HD2 TYR 61 HD1 TYR 61 -1.740 7.177 13.819 482 HE1 TYR 61 HE2 TYR 61 0.954 9.993 10.816 483 HE2 TYR 61 HE1 TYR 61 -1.622 9.605 14.195 484 HH TYR 61 HH TYR 61 -0.726 11.528 13.544 485 H SER 62 H SER 62 -1.457 6.964 8.771 486 HA SER 62 HA SER 62 -3.291 8.850 9.829 487 HB2 SER 62 2HB SER 62 -2.903 10.077 7.913 488 HB3 SER 62 3HB SER 62 -1.468 9.053 7.920 489 HG SER 62 HG SER 62 -2.262 7.891 6.290 490 H GLU 63 H GLU 63 -3.697 5.861 8.230 491 HA GLU 63 HA GLU 63 -6.420 6.492 7.378 492 HB2 GLU 63 2HB GLU 63 -4.469 4.327 6.781 493 HB3 GLU 63 3HB GLU 63 -6.177 3.921 6.696 494 HG2 GLU 63 2HG GLU 63 -6.398 5.981 5.194 495 HG3 GLU 63 3HG GLU 63 -4.641 5.908 5.067 496 H ASN 64 H ASN 64 -4.658 4.536 9.702 497 HA ASN 64 HA ASN 64 -7.023 3.205 10.672 498 HB2 ASN 64 2HB ASN 64 -4.213 3.322 11.790 499 HB3 ASN 64 3HB ASN 64 -5.500 2.285 12.399 500 HD21 ASN 64 1HD2 ASN 64 -3.522 2.996 9.580 501 HD22 ASN 64 2HD2 ASN 64 -3.607 1.413 8.894 502 H LYS 65 H LYS 65 -4.928 5.844 11.735 503 HA LYS 65 HA LYS 65 -6.008 6.282 14.264 504 HB2 LYS 65 2HB LYS 65 -4.978 8.413 14.206 505 HB3 LYS 65 3HB LYS 65 -3.955 7.363 13.234 506 HG2 LYS 65 2HG LYS 65 -4.939 8.262 11.198 507 HG3 LYS 65 3HG LYS 65 -6.001 9.295 12.159 508 HD2 LYS 65 2HD LYS 65 -3.744 10.120 13.204 509 HD3 LYS 65 3HD LYS 65 -3.056 9.492 11.705 510 HE2 LYS 65 2HE LYS 65 -4.624 10.894 10.426 511 HE3 LYS 65 3HE LYS 65 -5.255 11.545 11.938 512 HZ1 LYS 65 3HZ LYS 65 -2.823 12.193 10.531 513 HZ2 LYS 65 1HZ LYS 65 -2.610 11.964 12.194 514 HZ3 LYS 65 2HZ LYS 65 -3.714 13.116 11.633 515 H GLU 66 H GLU 66 -7.316 6.939 11.137 516 HA GLU 66 HA GLU 66 -9.315 8.788 12.149 517 HB2 GLU 66 2HB GLU 66 -8.417 9.236 9.949 518 HB3 GLU 66 3HB GLU 66 -8.846 7.621 9.402 519 HG2 GLU 66 2HG GLU 66 -11.192 8.136 9.573 520 HG3 GLU 66 3HG GLU 66 -10.826 9.718 10.258 521 H LYS 67 H LYS 67 -8.942 5.430 11.680 522 HA LYS 67 HA LYS 67 -11.708 4.785 11.309 523 HB2 LYS 67 2HB LYS 67 -9.183 3.283 11.725 524 HB3 LYS 67 3HB LYS 67 -10.669 2.470 12.200 525 HG2 LYS 67 2HG LYS 67 -10.649 3.744 9.534 526 HG3 LYS 67 3HG LYS 67 -9.639 2.312 9.746 527 HD2 LYS 67 2HD LYS 67 -11.728 1.509 9.003 528 HD3 LYS 67 3HD LYS 67 -11.691 1.193 10.740 529 HE2 LYS 67 2HE LYS 67 -13.853 2.096 10.036 530 HE3 LYS 67 3HE LYS 67 -13.026 3.188 11.146 531 HZ1 LYS 67 3HZ LYS 67 -14.105 3.962 8.839 532 HZ2 LYS 67 1HZ LYS 67 -12.523 3.650 8.327 533 HZ3 LYS 67 2HZ LYS 67 -12.806 4.758 9.573 534 H TYR 68 H TYR 68 -9.493 4.149 14.037 535 HA TYR 68 HA TYR 68 -11.749 4.619 15.864 536 HB2 TYR 68 2HB TYR 68 -9.797 2.567 16.704 537 HB3 TYR 68 3HB TYR 68 -11.544 2.617 16.915 538 HD1 TYR 68 HD2 TYR 68 -13.033 1.785 15.149 539 HD2 TYR 68 HD1 TYR 68 -8.803 1.507 14.785 540 HE1 TYR 68 HE2 TYR 68 -13.303 0.148 13.333 541 HE2 TYR 68 HE1 TYR 68 -9.061 -0.130 12.967 542 HH TYR 68 HH TYR 68 -10.802 -1.775 12.204 543 H GLY 69 H GLY 69 -8.380 4.886 15.143 544 HA2 GLY 69 2HA GLY 69 -6.810 6.332 16.027 545 HA3 GLY 69 3HA GLY 69 -8.043 6.928 17.129 546 H LYS 70 H LYS 70 -8.406 3.911 17.817 547 HA LYS 70 HA LYS 70 -5.982 3.408 19.335 548 HB2 LYS 70 2HB LYS 70 -6.797 3.728 21.434 549 HB3 LYS 70 3HB LYS 70 -7.812 4.900 20.603 550 HG2 LYS 70 2HG LYS 70 -9.509 3.019 20.364 551 HG3 LYS 70 3HG LYS 70 -8.530 2.144 21.543 552 HD2 LYS 70 2HD LYS 70 -8.962 3.699 23.232 553 HD3 LYS 70 3HD LYS 70 -9.480 4.937 22.085 554 HE2 LYS 70 2HE LYS 70 -11.344 3.907 23.372 555 HE3 LYS 70 3HE LYS 70 -11.509 3.750 21.624 556 HZ1 LYS 70 3HZ LYS 70 -10.113 1.541 22.781 557 HZ2 LYS 70 1HZ LYS 70 -11.472 1.547 21.773 558 HZ3 LYS 70 2HZ LYS 70 -11.659 1.724 23.445 559 HA PRO 71 HA PRO 71 -7.023 -0.810 18.724 560 HB2 PRO 71 2HB PRO 71 -6.140 -1.971 21.014 561 HB3 PRO 71 3HB PRO 71 -5.049 -1.352 19.768 562 HG2 PRO 71 2HG PRO 71 -5.907 -0.078 22.338 563 HG3 PRO 71 3HG PRO 71 -4.293 -0.144 21.606 564 HD2 PRO 71 2HD PRO 71 -5.881 2.042 21.436 565 HD3 PRO 71 3HD PRO 71 -4.744 1.586 20.152 566 H ASN 72 H ASN 72 -8.643 -2.277 19.067 567 HA ASN 72 HA ASN 72 -10.666 -1.520 21.043 568 HB2 ASN 72 2HB ASN 72 -11.212 -1.836 18.568 569 HB3 ASN 72 3HB ASN 72 -10.982 -3.560 18.843 570 HD21 ASN 72 1HD2 ASN 72 -12.949 -4.400 18.759 571 HD22 ASN 72 2HD2 ASN 72 -14.310 -3.865 19.679 572 H LYS 73 H LYS 73 -9.238 -4.526 19.755 573 HA LYS 73 HA LYS 73 -9.564 -5.708 22.435 574 HB2 LYS 73 2HB LYS 73 -11.018 -6.655 20.573 575 HB3 LYS 73 3HB LYS 73 -9.533 -7.259 19.848 576 HG2 LYS 73 2HG LYS 73 -9.807 -9.090 21.066 577 HG3 LYS 73 3HG LYS 73 -9.406 -8.116 22.482 578 HD2 LYS 73 2HD LYS 73 -11.554 -8.020 23.187 579 HD3 LYS 73 3HD LYS 73 -12.199 -7.943 21.546 580 HE2 LYS 73 2HE LYS 73 -12.916 -10.018 22.342 581 HE3 LYS 73 3HE LYS 73 -11.501 -10.402 21.363 582 HZ1 LYS 73 3HZ LYS 73 -11.896 -10.658 24.220 583 HZ2 LYS 73 1HZ LYS 73 -10.392 -10.031 23.764 584 HZ3 LYS 73 2HZ LYS 73 -10.893 -11.538 23.181 585 H ARG 74 H ARG 74 -7.285 -4.215 21.476 586 HA ARG 74 HA ARG 74 -5.259 -6.355 21.400 587 HB2 ARG 74 2HB ARG 74 -5.175 -3.561 20.257 588 HB3 ARG 74 3HB ARG 74 -3.762 -4.600 20.384 589 HG2 ARG 74 2HG ARG 74 -6.206 -5.563 18.964 590 HG3 ARG 74 3HG ARG 74 -5.069 -4.482 18.156 591 HD2 ARG 74 2HD ARG 74 -3.718 -6.653 19.519 592 HD3 ARG 74 3HD ARG 74 -4.892 -7.246 18.345 593 HE ARG 74 HE ARG 74 -3.520 -5.326 16.993 594 HH11 ARG 74 1HH1 ARG 74 -2.610 -8.178 18.769 595 HH12 ARG 74 2HH1 ARG 74 -1.200 -8.484 17.811 596 HH21 ARG 74 1HH2 ARG 74 -1.665 -5.718 15.724 597 HH22 ARG 74 2HH2 ARG 74 -0.663 -7.083 16.079 598 H LYS 75 H LYS 75 -4.147 -6.575 23.214 599 HA LYS 75 HA LYS 75 -4.376 -5.020 25.477 600 HB2 LYS 75 2HB LYS 75 -2.223 -6.890 24.531 601 HB3 LYS 75 3HB LYS 75 -2.068 -6.043 26.065 602 HG2 LYS 75 2HG LYS 75 -4.568 -7.559 25.513 603 HG3 LYS 75 3HG LYS 75 -3.103 -8.446 25.941 604 HD2 LYS 75 2HD LYS 75 -2.927 -7.311 28.024 605 HD3 LYS 75 3HD LYS 75 -4.174 -6.148 27.569 606 HE2 LYS 75 2HE LYS 75 -4.764 -9.084 27.717 607 HE3 LYS 75 3HE LYS 75 -4.803 -8.074 29.161 608 HZ1 LYS 75 3HZ LYS 75 -6.818 -7.397 28.597 609 HZ2 LYS 75 1HZ LYS 75 -6.791 -8.390 27.228 610 HZ3 LYS 75 2HZ LYS 75 -6.246 -6.793 27.125 611 H GLY 76 H GLY 76 -3.249 -3.329 26.385 612 HA2 GLY 76 2HA GLY 76 -1.424 -1.794 26.492 613 HA3 GLY 76 3HA GLY 76 -1.095 -2.117 24.796 614 H PHE 77 H PHE 77 -4.393 -1.699 25.504 615 HA PHE 77 HA PHE 77 -4.614 0.590 23.865 616 HB2 PHE 77 2HB PHE 77 -6.967 0.609 24.523 617 HB3 PHE 77 3HB PHE 77 -6.444 -1.034 24.166 618 HD1 PHE 77 HD2 PHE 77 -7.395 1.306 26.828 619 HD2 PHE 77 HD1 PHE 77 -6.377 -2.713 25.863 620 HE1 PHE 77 HE2 PHE 77 -8.202 0.575 29.035 621 HE2 PHE 77 HE1 PHE 77 -7.183 -3.450 28.068 622 HZ PHE 77 HZ PHE 77 -8.096 -1.805 29.658 623 H ASN 78 H ASN 78 -4.742 2.728 24.318 624 HA ASN 78 HA ASN 78 -4.419 4.676 25.447 625 HB2 ASN 78 2HB ASN 78 -6.008 3.065 27.428 626 HB3 ASN 78 3HB ASN 78 -5.461 4.693 27.820 627 HD21 ASN 78 1HD2 ASN 78 -5.792 6.107 25.610 628 HD22 ASN 78 2HD2 ASN 78 -7.444 6.115 25.102 629 H GLU 79 H GLU 79 -2.396 2.504 25.625 630 HA GLU 79 HA GLU 79 -1.144 3.144 28.202 631 HB2 GLU 79 2HB GLU 79 -0.501 0.972 26.200 632 HB3 GLU 79 3HB GLU 79 0.356 1.234 27.713 633 HG2 GLU 79 2HG GLU 79 -2.503 0.382 27.350 634 HG3 GLU 79 3HG GLU 79 -1.175 -0.554 28.033 635 H GLY 80 H GLY 80 -1.183 5.115 26.167 636 HA2 GLY 80 2HA GLY 80 0.733 6.640 25.959 637 HA3 GLY 80 3HA GLY 80 1.697 5.238 25.519 638 H LEU 81 H LEU 81 -1.545 5.687 24.312 639 HA LEU 81 HA LEU 81 -0.748 5.408 21.622 640 HB2 LEU 81 2HB LEU 81 -2.948 4.756 22.288 641 HB3 LEU 81 3HB LEU 81 -3.311 6.381 22.866 642 HG LEU 81 HG LEU 81 -2.784 6.861 20.243 643 HD11 LEU 81 1HD1 LEU 81 -3.550 5.192 18.847 644 HD12 LEU 81 2HD1 LEU 81 -4.422 4.365 20.137 645 HD13 LEU 81 3HD1 LEU 81 -2.663 4.272 20.062 646 HD21 LEU 81 3HD2 LEU 81 -4.775 7.412 21.822 647 HD22 LEU 81 1HD2 LEU 81 -5.530 6.011 21.062 648 HD23 LEU 81 2HD2 LEU 81 -5.027 7.384 20.076 649 H TRP 82 H TRP 82 -1.158 8.176 23.684 650 HA TRP 82 HA TRP 82 -1.290 10.123 21.601 651 HB2 TRP 82 2HB TRP 82 -2.170 10.867 23.636 652 HB3 TRP 82 3HB TRP 82 -0.814 10.233 24.564 653 HD1 TRP 82 HD1 TRP 82 -1.902 13.275 22.548 654 HE1 TRP 82 HE1 TRP 82 -0.208 15.175 22.928 655 HE3 TRP 82 HE3 TRP 82 1.677 10.673 25.109 656 HZ2 TRP 82 HZ2 TRP 82 2.312 15.525 24.150 657 HZ3 TRP 82 HZ3 TRP 82 3.699 11.865 25.847 658 HH2 TRP 82 HH2 TRP 82 4.008 14.240 25.376 659 H GLU 83 H GLU 83 1.218 8.233 22.848 660 HA GLU 83 HA GLU 83 3.368 10.087 22.489 661 HB2 GLU 83 2HB GLU 83 3.286 7.088 22.805 662 HB3 GLU 83 3HB GLU 83 4.784 7.990 22.624 663 HG2 GLU 83 2HG GLU 83 4.555 9.033 24.683 664 HG3 GLU 83 3HG GLU 83 2.827 8.699 24.769 665 H ILE 84 H ILE 84 1.732 7.736 20.487 666 HA ILE 84 HA ILE 84 3.628 7.503 18.430 667 HB ILE 84 HB ILE 84 1.544 6.091 18.764 668 HG12 ILE 84 2HG1 ILE 84 2.219 7.190 16.029 669 HG13 ILE 84 3HG1 ILE 84 2.940 5.790 16.815 670 HG21 ILE 84 1HG2 ILE 84 -0.506 6.902 18.410 671 HG22 ILE 84 2HG2 ILE 84 0.242 8.495 18.508 672 HG23 ILE 84 3HG2 ILE 84 -0.015 7.737 16.937 673 HD11 ILE 84 3HD1 ILE 84 1.461 4.542 15.749 674 HD12 ILE 84 1HD1 ILE 84 0.208 5.262 16.759 675 HD13 ILE 84 2HD1 ILE 84 0.584 5.963 15.185 676 H ASP 85 H ASP 85 1.656 10.121 19.345 677 HA ASP 85 HA ASP 85 2.124 11.440 16.750 678 HB2 ASP 85 2HB ASP 85 -0.296 11.050 17.690 679 HB3 ASP 85 3HB ASP 85 0.087 12.437 18.706 680 H ASN 86 H ASN 86 3.480 11.222 19.633 681 HA ASN 86 HA ASN 86 4.426 13.990 19.563 682 HB2 ASN 86 2HB ASN 86 3.252 12.597 21.965 683 HB3 ASN 86 3HB ASN 86 4.369 13.948 22.131 684 HD21 ASN 86 1HD2 ASN 86 1.361 13.015 20.521 685 HD22 ASN 86 2HD2 ASN 86 0.618 14.572 20.626 686 H ASN 87 H ASN 87 4.849 11.112 21.631 687 HA ASN 87 HA ASN 87 7.749 11.328 21.164 688 HB2 ASN 87 2HB ASN 87 6.861 11.634 23.531 689 HB3 ASN 87 3HB ASN 87 6.435 9.926 23.491 690 HD21 ASN 87 1HD2 ASN 87 7.877 9.666 25.269 691 HD22 ASN 87 2HD2 ASN 87 9.579 9.546 25.000 692 HA PRO 88 HA PRO 88 6.352 7.400 19.124 693 HB2 PRO 88 2HB PRO 88 7.862 7.750 16.895 694 HB3 PRO 88 3HB PRO 88 6.238 8.425 17.071 695 HG2 PRO 88 2HG PRO 88 8.894 9.756 17.442 696 HG3 PRO 88 3HG PRO 88 7.440 10.367 16.632 697 HD2 PRO 88 2HD PRO 88 8.121 11.097 19.149 698 HD3 PRO 88 3HD PRO 88 6.432 10.965 18.617 699 H LYS 89 H LYS 89 9.251 8.763 20.251 700 HA LYS 89 HA LYS 89 10.673 6.206 19.903 701 HB2 LYS 89 2HB LYS 89 12.758 7.469 20.154 702 HB3 LYS 89 3HB LYS 89 11.804 8.079 18.809 703 HG2 LYS 89 2HG LYS 89 11.369 10.067 19.833 704 HG3 LYS 89 3HG LYS 89 11.469 9.380 21.456 705 HD2 LYS 89 2HD LYS 89 13.358 10.824 21.117 706 HD3 LYS 89 3HD LYS 89 13.927 9.154 21.144 707 HE2 LYS 89 2HE LYS 89 15.004 10.410 19.357 708 HE3 LYS 89 3HE LYS 89 13.981 9.135 18.699 709 HZ1 LYS 89 3HZ LYS 89 12.913 11.860 19.020 710 HZ2 LYS 89 1HZ LYS 89 12.435 10.645 17.943 711 HZ3 LYS 89 2HZ LYS 89 13.879 11.486 17.682 712 H VAL 90 H VAL 90 8.748 6.683 21.968 713 HA VAL 90 HA VAL 90 9.935 7.419 24.416 714 HB VAL 90 HB VAL 90 7.481 7.251 24.038 715 HG11 VAL 90 1HG1 VAL 90 7.113 4.509 24.705 716 HG12 VAL 90 2HG1 VAL 90 6.564 5.381 23.272 717 HG13 VAL 90 3HG1 VAL 90 8.149 4.607 23.281 718 HG21 VAL 90 3HG2 VAL 90 8.166 5.458 26.331 719 HG22 VAL 90 1HG2 VAL 90 8.724 7.131 26.317 720 HG23 VAL 90 2HG2 VAL 90 6.998 6.777 26.251 721 H LYS 91 H LYS 91 10.337 4.661 22.478 722 HA LYS 91 HA LYS 91 10.725 2.587 24.254 723 HB2 LYS 91 2HB LYS 91 12.399 1.726 22.580 724 HB3 LYS 91 3HB LYS 91 10.825 2.142 21.915 725 HG2 LYS 91 2HG LYS 91 11.774 3.514 20.467 726 HG3 LYS 91 3HG LYS 91 12.498 4.441 21.783 727 HD2 LYS 91 2HD LYS 91 14.508 3.385 21.602 728 HD3 LYS 91 3HD LYS 91 13.785 1.866 21.067 729 HE2 LYS 91 2HE LYS 91 13.364 2.841 18.866 730 HE3 LYS 91 3HE LYS 91 14.066 4.367 19.402 731 HZ1 LYS 91 3HZ LYS 91 15.824 2.162 19.847 732 HZ2 LYS 91 1HZ LYS 91 16.105 3.612 19.022 733 HZ3 LYS 91 2HZ LYS 91 15.403 2.303 18.215 734 H PHE 92 H PHE 92 12.836 5.291 23.523 735 HA PHE 92 HA PHE 92 14.808 5.999 24.418 736 HB2 PHE 92 2HB PHE 92 13.297 6.112 26.410 737 HB3 PHE 92 3HB PHE 92 13.863 4.511 26.874 738 HD1 PHE 92 HD1 PHE 92 15.656 7.520 25.598 739 HD2 PHE 92 HD2 PHE 92 15.163 4.711 28.758 740 HE1 PHE 92 HE1 PHE 92 17.547 8.541 26.796 741 HE2 PHE 92 HE2 PHE 92 17.053 5.729 29.961 742 HZ PHE 92 HZ PHE 92 18.247 7.647 28.981 743 H SER 93 H SER 93 16.206 4.803 23.115 744 HA SER 93 HA SER 93 17.409 2.461 24.439 745 HB2 SER 93 2HB SER 93 17.465 1.246 22.492 746 HB3 SER 93 3HB SER 93 16.016 2.201 22.177 747 HG SER 93 HG SER 93 18.288 2.140 20.793
Contact the webmaster for help, if required. Wednesday, June 5, 2024 5:56:33 AM GMT (wattos1)