NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
278990 | 2kjw | 16345 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 1HT MET 1 3.430 9.540 10.984 2 H2 MET 1 2HT MET 1 1.974 9.526 10.108 3 H3 MET 1 3HT MET 1 3.097 8.268 9.912 4 HA MET 1 HA MET 1 1.452 7.352 11.300 5 HB2 MET 1 2HB MET 1 3.800 8.480 12.863 6 HB3 MET 1 1HB MET 1 2.776 7.161 13.431 7 HG2 MET 1 2HG MET 1 3.468 5.728 11.651 8 HG3 MET 1 1HG MET 1 4.213 7.060 10.771 9 HE1 MET 1 2HE MET 1 6.675 6.095 10.495 10 HE2 MET 1 3HE MET 1 7.680 6.969 11.647 11 HE3 MET 1 1HE MET 1 6.329 7.786 10.848 12 H ASP 2 H ASP 2 2.670 10.228 13.059 13 HA ASP 2 HA ASP 2 0.209 10.516 14.581 14 HB2 ASP 2 2HB ASP 2 2.726 11.125 15.060 15 HB3 ASP 2 1HB ASP 2 2.306 12.640 14.259 16 HA PRO 3 HA PRO 3 -0.448 14.189 11.632 17 HB2 PRO 3 2HB PRO 3 0.975 14.271 9.302 18 HB3 PRO 3 1HB PRO 3 1.568 14.973 10.818 19 HG2 PRO 3 2HG PRO 3 2.396 12.510 9.439 20 HG3 PRO 3 1HG PRO 3 3.302 13.544 10.549 21 HD2 PRO 3 2HD PRO 3 2.066 11.074 11.144 22 HD3 PRO 3 1HD PRO 3 2.793 12.214 12.298 23 H GLN 4 H GLN 4 -0.642 10.996 11.086 24 HA GLN 4 HA GLN 4 -2.855 11.252 9.187 25 HB2 GLN 4 2HB GLN 4 -1.597 9.607 7.599 26 HB3 GLN 4 1HB GLN 4 -1.162 11.313 7.540 27 HG2 GLN 4 2HG GLN 4 0.704 10.862 9.131 28 HG3 GLN 4 1HG GLN 4 0.299 9.145 9.077 29 HE21 GLN 4 1HE2 GLN 4 0.904 11.811 6.704 30 HE22 GLN 4 2HE2 GLN 4 1.827 10.854 5.649 31 H GLY 5 H GLY 5 -3.099 8.642 8.376 32 HA2 GLY 5 2HA GLY 5 -2.757 6.982 10.820 33 HA3 GLY 5 1HA GLY 5 -4.374 7.158 10.145 34 H TYR 6 H TYR 6 -1.125 6.518 8.701 35 HA TYR 6 HA TYR 6 -2.179 4.844 6.629 36 HB2 TYR 6 2HB TYR 6 0.071 4.615 6.092 37 HB3 TYR 6 1HB TYR 6 0.153 6.045 7.118 38 HD1 TYR 6 1HD TYR 6 0.662 5.731 9.608 39 HD2 TYR 6 2HD TYR 6 1.208 2.625 6.697 40 HE1 TYR 6 1HE TYR 6 2.141 4.511 11.182 41 HE2 TYR 6 2HE TYR 6 2.690 1.410 8.263 42 HH TYR 6 HH TYR 6 4.136 2.718 10.813 43 H PHE 7 H PHE 7 -2.854 2.704 6.754 44 HA PHE 7 HA PHE 7 -1.740 0.874 8.709 45 HB2 PHE 7 2HB PHE 7 -4.210 2.395 9.167 46 HB3 PHE 7 1HB PHE 7 -4.391 0.661 9.411 47 HD1 PHE 7 2HD PHE 7 -2.366 -0.472 10.745 48 HD2 PHE 7 1HD PHE 7 -3.466 3.674 10.962 49 HE1 PHE 7 2HE PHE 7 -1.229 -0.285 12.941 50 HE2 PHE 7 1HE PHE 7 -2.328 3.860 13.158 51 HZ PHE 7 HZ PHE 7 -1.210 1.881 14.147 52 H LEU 8 H LEU 8 -1.831 0.667 5.928 53 HA LEU 8 HA LEU 8 -4.052 -1.195 5.377 54 HB2 LEU 8 2HB LEU 8 -2.086 0.256 3.592 55 HB3 LEU 8 1HB LEU 8 -3.364 -0.805 3.006 56 HG LEU 8 HG LEU 8 -4.387 1.281 2.834 57 HD11 LEU 8 1HD1 LEU 8 -5.037 0.669 5.723 58 HD12 LEU 8 2HD1 LEU 8 -5.648 -0.310 4.389 59 HD13 LEU 8 3HD1 LEU 8 -6.085 1.395 4.504 60 HD21 LEU 8 3HD2 LEU 8 -2.404 2.005 4.793 61 HD22 LEU 8 1HD2 LEU 8 -3.979 2.621 5.293 62 HD23 LEU 8 2HD2 LEU 8 -3.324 3.052 3.714 63 H TRP 9 H TRP 9 -3.584 -3.357 5.434 64 HA TRP 9 HA TRP 9 -0.711 -4.166 5.109 65 HB2 TRP 9 2HB TRP 9 -2.222 -4.457 7.296 66 HB3 TRP 9 1HB TRP 9 -2.766 -5.894 6.430 67 HD1 TRP 9 HD TRP 9 -0.013 -6.598 4.999 68 HE1 TRP 9 1HE TRP 9 1.919 -7.576 6.398 69 HE3 TRP 9 3HE TRP 9 -1.426 -5.051 9.656 70 HZ2 TRP 9 2HZ TRP 9 2.755 -7.687 9.135 71 HZ3 TRP 9 3HZ TRP 9 -0.048 -5.606 11.638 72 HH2 TRP 9 HH TRP 9 2.039 -6.920 11.385 73 H TYR 10 H TYR 10 -0.377 -5.181 3.180 74 HA TYR 10 HA TYR 10 -2.612 -6.834 2.049 75 HB2 TYR 10 2HB TYR 10 -0.619 -4.999 0.680 76 HB3 TYR 10 1HB TYR 10 -1.759 -6.039 -0.173 77 HD1 TYR 10 1HD TYR 10 -4.201 -5.856 1.376 78 HD2 TYR 10 2HD TYR 10 -1.351 -2.780 0.441 79 HE1 TYR 10 1HE TYR 10 -5.969 -4.137 1.639 80 HE2 TYR 10 2HE TYR 10 -3.121 -1.063 0.704 81 HH TYR 10 HH TYR 10 -5.481 -1.066 2.158 82 H GLN 11 H GLN 11 -2.016 -8.879 1.381 83 HA GLN 11 HA GLN 11 0.867 -9.567 1.388 84 HB2 GLN 11 2HB GLN 11 -0.556 -10.388 3.327 85 HB3 GLN 11 1HB GLN 11 -1.457 -11.348 2.153 86 HG2 GLN 11 2HG GLN 11 0.806 -12.319 1.440 87 HG3 GLN 11 1HG GLN 11 1.459 -11.593 2.908 88 HE21 GLN 11 1HE2 GLN 11 -1.093 -13.871 1.795 89 HE22 GLN 11 2HE2 GLN 11 -1.132 -14.768 3.235 90 H VAL 12 H VAL 12 1.406 -11.372 -0.131 91 HA VAL 12 HA VAL 12 -0.650 -11.766 -2.270 92 HB VAL 12 HB VAL 12 1.035 -11.284 -3.948 93 HG11 VAL 12 1HG1 VAL 12 1.390 -8.936 -3.514 94 HG12 VAL 12 2HG1 VAL 12 1.211 -9.186 -1.776 95 HG13 VAL 12 3HG1 VAL 12 -0.177 -9.391 -2.846 96 HG21 VAL 12 3HG2 VAL 12 2.858 -11.341 -1.559 97 HG22 VAL 12 1HG2 VAL 12 3.285 -10.329 -2.940 98 HG23 VAL 12 2HG2 VAL 12 3.082 -12.069 -3.150 99 H GLU 13 H GLU 13 0.450 -13.425 -3.921 100 HA GLU 13 HA GLU 13 1.959 -15.537 -2.456 101 HB2 GLU 13 2HB GLU 13 -0.483 -15.884 -2.097 102 HB3 GLU 13 1HB GLU 13 -0.709 -15.957 -3.845 103 HG2 GLU 13 2HG GLU 13 1.157 -17.812 -3.714 104 HG3 GLU 13 1HG GLU 13 0.653 -17.920 -2.027 105 H MET 14 H MET 14 3.163 -14.091 -4.363 106 HA MET 14 HA MET 14 3.123 -15.875 -6.772 107 HB2 MET 14 2HB MET 14 3.603 -12.880 -6.766 108 HB3 MET 14 1HB MET 14 3.279 -13.913 -8.158 109 HG2 MET 14 2HG MET 14 1.301 -13.544 -5.898 110 HG3 MET 14 1HG MET 14 1.298 -12.543 -7.348 111 HE1 MET 14 3HE MET 14 -0.429 -14.623 -5.699 112 HE2 MET 14 1HE MET 14 -1.108 -15.939 -6.666 113 HE3 MET 14 2HE MET 14 -1.545 -14.268 -7.016 114 HA PRO 15 HA PRO 15 7.412 -16.252 -5.938 115 HB2 PRO 15 2HB PRO 15 8.356 -16.659 -8.471 116 HB3 PRO 15 1HB PRO 15 7.558 -17.892 -7.509 117 HG2 PRO 15 2HG PRO 15 6.468 -16.191 -9.687 118 HG3 PRO 15 1HG PRO 15 6.143 -17.897 -9.334 119 HD2 PRO 15 2HD PRO 15 4.407 -15.917 -8.687 120 HD3 PRO 15 1HD PRO 15 4.567 -17.405 -7.727 121 H GLU 16 H GLU 16 9.507 -15.647 -7.336 122 HA GLU 16 HA GLU 16 9.885 -12.832 -7.061 123 HB2 GLU 16 2HB GLU 16 11.474 -14.930 -7.110 124 HB3 GLU 16 1HB GLU 16 11.504 -14.620 -8.846 125 HG2 GLU 16 2HG GLU 16 11.944 -12.294 -7.025 126 HG3 GLU 16 1HG GLU 16 13.258 -13.460 -7.188 127 H ASP 17 H ASP 17 8.802 -14.908 -9.611 128 HA ASP 17 HA ASP 17 9.323 -13.306 -11.893 129 HB2 ASP 17 2HB ASP 17 8.486 -15.735 -11.615 130 HB3 ASP 17 1HB ASP 17 6.877 -15.023 -11.487 131 H ARG 18 H ARG 18 6.437 -13.431 -9.796 132 HA ARG 18 HA ARG 18 5.208 -11.147 -11.228 133 HB2 ARG 18 2HB ARG 18 4.156 -12.359 -8.692 134 HB3 ARG 18 1HB ARG 18 3.268 -11.796 -10.106 135 HG2 ARG 18 2HG ARG 18 4.564 -13.751 -11.317 136 HG3 ARG 18 1HG ARG 18 4.701 -14.390 -9.679 137 HD2 ARG 18 2HD ARG 18 2.536 -15.067 -9.713 138 HD3 ARG 18 1HD ARG 18 1.994 -13.448 -10.201 139 HE ARG 18 HE ARG 18 3.153 -14.424 -12.501 140 HH11 ARG 18 1HH2 ARG 18 2.303 -17.083 -11.127 141 HH12 ARG 18 2HH2 ARG 18 0.797 -17.370 -11.933 142 HH21 ARG 18 1HH1 ARG 18 0.559 -14.149 -13.197 143 HH22 ARG 18 2HH1 ARG 18 -0.191 -15.707 -13.106 144 H VAL 19 H VAL 19 6.898 -11.821 -8.242 145 HA VAL 19 HA VAL 19 6.242 -9.688 -6.580 146 HB VAL 19 HB VAL 19 8.862 -11.047 -7.233 147 HG11 VAL 19 1HG1 VAL 19 8.985 -9.974 -4.636 148 HG12 VAL 19 2HG1 VAL 19 8.398 -8.659 -5.652 149 HG13 VAL 19 3HG1 VAL 19 9.923 -9.457 -6.036 150 HG21 VAL 19 3HG2 VAL 19 6.672 -12.073 -6.087 151 HG22 VAL 19 1HG2 VAL 19 7.364 -11.300 -4.664 152 HG23 VAL 19 2HG2 VAL 19 8.291 -12.516 -5.541 153 H ASN 20 H ASN 20 8.379 -9.601 -9.425 154 HA ASN 20 HA ASN 20 9.503 -7.036 -9.125 155 HB2 ASN 20 2HB ASN 20 8.463 -8.281 -11.689 156 HB3 ASN 20 1HB ASN 20 9.825 -7.172 -11.519 157 HD21 ASN 20 1HD2 ASN 20 11.429 -8.135 -9.617 158 HD22 ASN 20 2HD2 ASN 20 11.865 -9.754 -9.879 159 H ASP 21 H ASP 21 6.243 -7.977 -10.041 160 HA ASP 21 HA ASP 21 5.319 -5.576 -11.213 161 HB2 ASP 21 2HB ASP 21 4.256 -7.907 -10.967 162 HB3 ASP 21 1HB ASP 21 3.720 -7.359 -9.382 163 H LEU 22 H LEU 22 5.588 -6.538 -7.809 164 HA LEU 22 HA LEU 22 4.112 -4.418 -6.622 165 HB2 LEU 22 2HB LEU 22 6.493 -6.093 -5.821 166 HB3 LEU 22 1HB LEU 22 5.831 -4.882 -4.723 167 HG LEU 22 HG LEU 22 3.540 -6.011 -5.222 168 HD11 LEU 22 1HD1 LEU 22 5.514 -7.862 -6.460 169 HD12 LEU 22 2HD1 LEU 22 3.832 -7.562 -6.892 170 HD13 LEU 22 3HD1 LEU 22 4.219 -8.602 -5.521 171 HD21 LEU 22 3HD2 LEU 22 5.478 -6.345 -3.244 172 HD22 LEU 22 1HD2 LEU 22 5.052 -7.994 -3.699 173 HD23 LEU 22 2HD2 LEU 22 3.800 -6.879 -3.149 174 H ALA 23 H ALA 23 7.502 -4.551 -7.699 175 HA ALA 23 HA ALA 23 8.340 -2.027 -6.717 176 HB1 ALA 23 1HB ALA 23 9.156 -4.029 -8.743 177 HB2 ALA 23 2HB ALA 23 10.116 -3.260 -7.479 178 HB3 ALA 23 3HB ALA 23 9.797 -2.405 -8.988 179 H ARG 24 H ARG 24 7.160 -2.914 -9.982 180 HA ARG 24 HA ARG 24 7.048 -0.222 -10.948 181 HB2 ARG 24 2HB ARG 24 6.362 -2.950 -11.782 182 HB3 ARG 24 1HB ARG 24 5.289 -1.725 -12.461 183 HG2 ARG 24 2HG ARG 24 8.044 -0.832 -12.563 184 HG3 ARG 24 1HG ARG 24 7.866 -2.392 -13.368 185 HD2 ARG 24 2HD ARG 24 6.343 -1.555 -14.944 186 HD3 ARG 24 1HD ARG 24 5.882 -0.187 -13.912 187 HE ARG 24 HE ARG 24 8.558 0.257 -14.296 188 HH11 ARG 24 1HH2 ARG 24 5.891 1.257 -15.826 189 HH12 ARG 24 2HH2 ARG 24 6.558 1.364 -17.421 190 HH21 ARG 24 1HH1 ARG 24 9.458 -0.358 -16.608 191 HH22 ARG 24 2HH1 ARG 24 8.579 0.449 -17.864 192 H GLU 25 H GLU 25 4.590 -2.427 -9.604 193 HA GLU 25 HA GLU 25 2.279 -0.879 -9.995 194 HB2 GLU 25 2HB GLU 25 2.393 -3.207 -9.182 195 HB3 GLU 25 1HB GLU 25 3.094 -2.646 -7.669 196 HG2 GLU 25 2HG GLU 25 0.551 -1.346 -8.468 197 HG3 GLU 25 1HG GLU 25 0.434 -3.044 -8.001 198 H LEU 26 H LEU 26 4.474 -0.910 -7.185 199 HA LEU 26 HA LEU 26 3.135 1.182 -5.746 200 HB2 LEU 26 2HB LEU 26 4.858 0.854 -4.224 201 HB3 LEU 26 1HB LEU 26 4.966 -0.649 -5.133 202 HG LEU 26 HG LEU 26 6.635 0.644 -6.647 203 HD11 LEU 26 1HD1 LEU 26 6.847 2.826 -6.080 204 HD12 LEU 26 2HD1 LEU 26 7.789 2.252 -4.703 205 HD13 LEU 26 3HD1 LEU 26 6.065 2.573 -4.520 206 HD21 LEU 26 3HD2 LEU 26 6.924 -0.999 -4.426 207 HD22 LEU 26 1HD2 LEU 26 7.982 0.366 -4.065 208 HD23 LEU 26 2HD2 LEU 26 8.208 -0.557 -5.550 209 H ARG 27 H ARG 27 5.763 1.207 -8.142 210 HA ARG 27 HA ARG 27 6.554 3.920 -7.877 211 HB2 ARG 27 2HB ARG 27 7.411 1.794 -9.207 212 HB3 ARG 27 1HB ARG 27 6.449 2.493 -10.507 213 HG2 ARG 27 2HG ARG 27 8.419 4.149 -8.944 214 HG3 ARG 27 1HG ARG 27 8.924 3.205 -10.344 215 HD2 ARG 27 2HD ARG 27 7.009 4.376 -11.620 216 HD3 ARG 27 1HD ARG 27 6.969 5.515 -10.259 217 HE ARG 27 HE ARG 27 9.447 4.981 -11.860 218 HH11 ARG 27 1HH2 ARG 27 8.699 6.562 -9.103 219 HH12 ARG 27 2HH2 ARG 27 9.082 8.160 -9.653 220 HH21 ARG 27 1HH1 ARG 27 9.361 7.234 -12.983 221 HH22 ARG 27 2HH1 ARG 27 9.456 8.540 -11.850 222 H ILE 28 H ILE 28 3.943 2.430 -9.827 223 HA ILE 28 HA ILE 28 3.249 4.714 -11.341 224 HB ILE 28 HB ILE 28 1.549 2.460 -10.252 225 HG12 ILE 28 2HG1 ILE 28 2.817 2.616 -12.984 226 HG13 ILE 28 1HG1 ILE 28 3.695 1.937 -11.613 227 HG21 ILE 28 1HG2 ILE 28 1.156 4.495 -12.442 228 HG22 ILE 28 2HG2 ILE 28 0.062 4.081 -11.123 229 HG23 ILE 28 3HG2 ILE 28 0.301 2.953 -12.458 230 HD11 ILE 28 3HD1 ILE 28 0.952 0.927 -11.813 231 HD12 ILE 28 1HD1 ILE 28 2.466 0.038 -11.631 232 HD13 ILE 28 2HD1 ILE 28 1.928 0.545 -13.233 233 H ARG 29 H ARG 29 1.916 3.547 -8.216 234 HA ARG 29 HA ARG 29 0.158 5.840 -7.908 235 HB2 ARG 29 2HB ARG 29 -0.132 4.885 -5.631 236 HB3 ARG 29 1HB ARG 29 -0.258 3.645 -6.876 237 HG2 ARG 29 2HG ARG 29 2.166 3.099 -6.482 238 HG3 ARG 29 1HG ARG 29 2.149 4.223 -5.125 239 HD2 ARG 29 2HD ARG 29 -0.103 2.623 -4.696 240 HD3 ARG 29 1HD ARG 29 1.146 1.489 -5.246 241 HE ARG 29 HE ARG 29 2.216 3.402 -3.351 242 HH11 ARG 29 1HH2 ARG 29 2.700 0.363 -3.621 243 HH12 ARG 29 2HH2 ARG 29 2.080 -0.189 -2.100 244 HH21 ARG 29 1HH1 ARG 29 0.402 2.771 -1.416 245 HH22 ARG 29 2HH1 ARG 29 0.776 1.177 -0.850 246 H ASP 30 H ASP 30 2.140 7.309 -8.484 247 HA ASP 30 HA ASP 30 4.285 7.825 -6.735 248 HB2 ASP 30 2HB ASP 30 2.640 9.851 -8.277 249 HB3 ASP 30 1HB ASP 30 4.353 9.963 -7.869 250 H ASN 31 H ASN 31 0.882 8.625 -6.366 251 HA ASN 31 HA ASN 31 1.039 10.758 -4.502 252 HB2 ASN 31 2HB ASN 31 -1.232 10.148 -4.005 253 HB3 ASN 31 1HB ASN 31 -0.971 9.729 -5.699 254 HD21 ASN 31 1HD2 ASN 31 -1.391 7.582 -6.279 255 HD22 ASN 31 2HD2 ASN 31 -1.606 6.311 -5.176 256 H VAL 32 H VAL 32 1.999 7.473 -4.157 257 HA VAL 32 HA VAL 32 1.635 7.303 -1.262 258 HB VAL 32 HB VAL 32 1.714 5.484 -3.149 259 HG11 VAL 32 1HG1 VAL 32 4.056 6.318 -3.834 260 HG12 VAL 32 2HG1 VAL 32 3.842 4.574 -3.672 261 HG13 VAL 32 3HG1 VAL 32 4.637 5.490 -2.390 262 HG21 VAL 32 3HG2 VAL 32 1.927 3.936 -1.470 263 HG22 VAL 32 1HG2 VAL 32 1.824 5.383 -0.467 264 HG23 VAL 32 2HG2 VAL 32 3.397 4.675 -0.833 265 H ARG 33 H ARG 33 3.100 7.978 0.270 266 HA ARG 33 HA ARG 33 5.484 9.444 -0.560 267 HB2 ARG 33 2HB ARG 33 4.379 10.393 1.245 268 HB3 ARG 33 1HB ARG 33 3.934 8.829 1.925 269 HG2 ARG 33 2HG ARG 33 5.891 8.621 3.077 270 HG3 ARG 33 1HG ARG 33 6.837 9.414 1.817 271 HD2 ARG 33 2HD ARG 33 5.537 11.574 2.555 272 HD3 ARG 33 1HD ARG 33 5.258 10.664 4.055 273 HE ARG 33 HE ARG 33 8.002 10.384 3.308 274 HH11 ARG 33 1HH2 ARG 33 7.070 13.378 2.967 275 HH12 ARG 33 2HH2 ARG 33 7.660 14.023 4.462 276 HH21 ARG 33 1HH1 ARG 33 8.189 10.911 5.900 277 HH22 ARG 33 2HH1 ARG 33 8.294 12.625 6.124 278 H ARG 34 H ARG 34 4.906 6.430 1.339 279 HA ARG 34 HA ARG 34 7.565 5.449 0.462 280 HB2 ARG 34 2HB ARG 34 8.188 6.674 2.398 281 HB3 ARG 34 1HB ARG 34 6.759 6.147 3.288 282 HG2 ARG 34 2HG ARG 34 7.737 4.205 3.934 283 HG3 ARG 34 1HG ARG 34 8.437 3.927 2.338 284 HD2 ARG 34 2HD ARG 34 10.228 4.287 4.002 285 HD3 ARG 34 1HD ARG 34 10.194 5.639 2.853 286 HE ARG 34 HE ARG 34 9.708 6.981 4.728 287 HH11 ARG 34 1HH2 ARG 34 9.007 3.745 5.505 288 HH12 ARG 34 2HH2 ARG 34 7.906 4.129 6.786 289 HH21 ARG 34 1HH1 ARG 34 7.981 7.543 6.188 290 HH22 ARG 34 2HH1 ARG 34 7.325 6.279 7.173 291 H VAL 35 H VAL 35 7.261 3.343 -0.094 292 HA VAL 35 HA VAL 35 5.287 1.703 1.464 293 HB VAL 35 HB VAL 35 4.434 2.340 -0.755 294 HG11 VAL 35 1HG1 VAL 35 6.949 1.009 -1.810 295 HG12 VAL 35 2HG1 VAL 35 6.668 2.750 -1.777 296 HG13 VAL 35 3HG1 VAL 35 5.658 1.713 -2.783 297 HG21 VAL 35 3HG2 VAL 35 3.571 0.244 -0.463 298 HG22 VAL 35 1HG2 VAL 35 5.140 -0.449 -0.052 299 HG23 VAL 35 2HG2 VAL 35 4.705 -0.195 -1.741 300 H MET 36 H MET 36 6.127 -0.276 2.156 301 HA MET 36 HA MET 36 8.658 -1.210 0.946 302 HB2 MET 36 2HB MET 36 8.848 0.174 3.115 303 HB3 MET 36 1HB MET 36 8.129 -1.226 3.912 304 HG2 MET 36 2HG MET 36 9.987 -2.543 3.589 305 HG3 MET 36 1HG MET 36 10.424 -1.740 2.081 306 HE1 MET 36 3HE MET 36 10.771 1.655 3.193 307 HE2 MET 36 1HE MET 36 10.876 0.491 1.865 308 HE3 MET 36 2HE MET 36 12.344 1.097 2.628 309 H VAL 37 H VAL 37 8.355 -3.284 0.271 310 HA VAL 37 HA VAL 37 6.402 -5.000 1.770 311 HB VAL 37 HB VAL 37 7.366 -5.209 -1.100 312 HG11 VAL 37 1HG1 VAL 37 5.455 -6.688 0.630 313 HG12 VAL 37 2HG1 VAL 37 6.411 -7.262 -0.736 314 HG13 VAL 37 3HG1 VAL 37 4.921 -6.361 -1.019 315 HG21 VAL 37 3HG2 VAL 37 5.945 -3.551 -1.654 316 HG22 VAL 37 1HG2 VAL 37 5.675 -3.250 0.062 317 HG23 VAL 37 2HG2 VAL 37 4.624 -4.364 -0.814 318 H VAL 38 H VAL 38 7.285 -6.806 2.751 319 HA VAL 38 HA VAL 38 10.140 -7.444 2.141 320 HB VAL 38 HB VAL 38 8.393 -8.288 4.467 321 HG11 VAL 38 1HG1 VAL 38 10.938 -8.194 5.388 322 HG12 VAL 38 2HG1 VAL 38 11.243 -8.615 3.703 323 HG13 VAL 38 3HG1 VAL 38 10.219 -9.649 4.699 324 HG21 VAL 38 3HG2 VAL 38 9.556 -6.426 5.683 325 HG22 VAL 38 1HG2 VAL 38 8.490 -5.852 4.399 326 HG23 VAL 38 2HG2 VAL 38 10.234 -5.897 4.143 327 H ALA 39 H ALA 39 10.740 -9.742 2.098 328 HA ALA 39 HA ALA 39 8.839 -11.360 0.543 329 HB1 ALA 39 1HB ALA 39 10.922 -12.921 0.664 330 HB2 ALA 39 2HB ALA 39 11.719 -11.538 1.414 331 HB3 ALA 39 3HB ALA 39 11.070 -11.402 -0.221 332 H SER 40 H SER 40 8.178 -13.512 1.193 333 HA SER 40 HA SER 40 7.498 -13.745 4.005 334 HB2 SER 40 2HB SER 40 6.721 -16.045 3.125 335 HB3 SER 40 1HB SER 40 5.990 -14.624 2.388 336 HG SER 40 HG SER 40 7.138 -14.947 0.595 337 H THR 41 H THR 41 7.915 -16.268 4.794 338 HA THR 41 HA THR 41 10.861 -16.414 5.097 339 HB THR 41 HB THR 41 9.371 -16.416 7.059 340 HG1 THR 41 1HG THR 41 10.044 -18.628 7.811 341 HG21 THR 41 3HG2 THR 41 8.024 -18.507 5.453 342 HG22 THR 41 1HG2 THR 41 7.346 -17.362 6.612 343 HG23 THR 41 2HG2 THR 41 8.136 -18.832 7.183 344 H THR 42 H THR 42 8.589 -17.750 3.017 345 HA THR 42 HA THR 42 10.445 -19.871 2.217 346 HB THR 42 HB THR 42 7.935 -20.303 3.781 347 HG1 THR 42 1HG THR 42 9.338 -21.289 4.962 348 HG21 THR 42 3HG2 THR 42 7.694 -22.581 2.872 349 HG22 THR 42 1HG2 THR 42 8.969 -22.250 1.699 350 HG23 THR 42 2HG2 THR 42 7.442 -21.374 1.613 351 HA PRO 43 HA PRO 43 6.806 -19.879 -0.882 352 HB2 PRO 43 2HB PRO 43 4.566 -18.423 -0.275 353 HB3 PRO 43 1HB PRO 43 4.774 -20.125 0.185 354 HG2 PRO 43 2HG PRO 43 5.159 -17.661 1.820 355 HG3 PRO 43 1HG PRO 43 4.422 -19.208 2.268 356 HD2 PRO 43 2HD PRO 43 6.940 -18.533 2.985 357 HD3 PRO 43 1HD PRO 43 6.449 -20.212 2.670 358 H GLY 44 H GLY 44 5.254 -17.760 -1.897 359 HA2 GLY 44 2HA GLY 44 7.288 -15.651 -2.205 360 HA3 GLY 44 1HA GLY 44 6.105 -16.068 -3.437 361 H ARG 45 H ARG 45 5.489 -15.693 0.011 362 HA ARG 45 HA ARG 45 3.386 -13.693 -0.617 363 HB2 ARG 45 2HB ARG 45 4.128 -15.540 1.620 364 HB3 ARG 45 1HB ARG 45 3.148 -14.125 2.009 365 HG2 ARG 45 2HG ARG 45 1.335 -14.884 0.838 366 HG3 ARG 45 1HG ARG 45 2.325 -15.684 -0.383 367 HD2 ARG 45 2HD ARG 45 1.568 -17.572 0.721 368 HD3 ARG 45 1HD ARG 45 2.951 -17.209 1.773 369 HE ARG 45 HE ARG 45 0.191 -16.190 2.336 370 HH11 ARG 45 1HH1 ARG 45 2.388 -14.992 3.927 371 HH12 ARG 45 2HH1 ARG 45 2.445 -16.012 5.325 372 HH21 ARG 45 1HH2 ARG 45 0.633 -18.575 3.854 373 HH22 ARG 45 2HH2 ARG 45 1.452 -18.040 5.284 374 H TYR 46 H TYR 46 3.407 -11.572 0.270 375 HA TYR 46 HA TYR 46 5.916 -10.770 1.688 376 HB2 TYR 46 2HB TYR 46 4.456 -9.404 -0.569 377 HB3 TYR 46 1HB TYR 46 5.807 -8.709 0.299 378 HD1 TYR 46 1HD TYR 46 4.832 -11.730 -1.677 379 HD2 TYR 46 2HD TYR 46 8.014 -9.174 -0.342 380 HE1 TYR 46 1HE TYR 46 6.427 -12.962 -3.122 381 HE2 TYR 46 2HE TYR 46 9.610 -10.407 -1.779 382 HH TYR 46 HH TYR 46 8.550 -13.190 -3.739 383 H GLU 47 H GLU 47 5.685 -8.948 3.040 384 HA GLU 47 HA GLU 47 2.907 -8.494 4.042 385 HB2 GLU 47 2HB GLU 47 4.249 -7.550 6.020 386 HB3 GLU 47 1HB GLU 47 4.426 -9.279 5.725 387 HG2 GLU 47 2HG GLU 47 6.573 -9.040 4.824 388 HG3 GLU 47 1HG GLU 47 6.329 -7.336 4.438 389 H VAL 48 H VAL 48 2.081 -6.783 2.847 390 HA VAL 48 HA VAL 48 3.778 -4.548 2.003 391 HB VAL 48 HB VAL 48 0.849 -5.262 1.800 392 HG11 VAL 48 1HG1 VAL 48 0.867 -3.329 0.088 393 HG12 VAL 48 2HG1 VAL 48 2.329 -2.786 0.913 394 HG13 VAL 48 3HG1 VAL 48 0.806 -2.895 1.797 395 HG21 VAL 48 3HG2 VAL 48 2.574 -4.847 -0.573 396 HG22 VAL 48 1HG2 VAL 48 1.383 -6.108 -0.254 397 HG23 VAL 48 2HG2 VAL 48 3.001 -6.228 0.437 398 H ASN 49 H ASN 49 4.267 -2.928 3.393 399 HA ASN 49 HA ASN 49 2.150 -1.897 5.217 400 HB2 ASN 49 2HB ASN 49 4.256 -1.411 6.709 401 HB3 ASN 49 1HB ASN 49 3.609 -3.050 6.685 402 HD21 ASN 49 1HD2 ASN 49 4.854 -4.703 5.573 403 HD22 ASN 49 2HD2 ASN 49 6.449 -4.429 5.062 404 H ILE 50 H ILE 50 1.718 -0.107 3.944 405 HA ILE 50 HA ILE 50 4.032 1.644 3.185 406 HB ILE 50 HB ILE 50 2.704 0.544 1.384 407 HG12 ILE 50 2HG1 ILE 50 3.740 2.952 1.282 408 HG13 ILE 50 1HG1 ILE 50 2.682 2.409 -0.012 409 HG21 ILE 50 1HG2 ILE 50 0.354 1.985 1.251 410 HG22 ILE 50 2HG2 ILE 50 0.501 1.644 2.973 411 HG23 ILE 50 3HG2 ILE 50 0.501 0.320 1.813 412 HD11 ILE 50 3HD1 ILE 50 1.391 3.759 2.314 413 HD12 ILE 50 1HD1 ILE 50 0.970 3.817 0.604 414 HD13 ILE 50 2HD1 ILE 50 2.327 4.763 1.210 415 H VAL 51 H VAL 51 3.908 3.862 3.697 416 HA VAL 51 HA VAL 51 1.840 4.603 5.702 417 HB VAL 51 HB VAL 51 4.359 4.873 6.012 418 HG11 VAL 51 1HG1 VAL 51 4.105 7.344 4.329 419 HG12 VAL 51 2HG1 VAL 51 4.448 5.807 3.536 420 HG13 VAL 51 3HG1 VAL 51 5.552 6.433 4.760 421 HG21 VAL 51 3HG2 VAL 51 3.316 7.623 6.207 422 HG22 VAL 51 1HG2 VAL 51 3.899 6.551 7.479 423 HG23 VAL 51 2HG2 VAL 51 2.242 6.403 6.893 424 H LEU 52 H LEU 52 0.455 6.453 5.348 425 HA LEU 52 HA LEU 52 0.325 7.280 2.474 426 HB2 LEU 52 2HB LEU 52 -1.627 6.970 4.735 427 HB3 LEU 52 1HB LEU 52 -2.026 8.004 3.363 428 HG LEU 52 HG LEU 52 -1.020 5.191 2.960 429 HD11 LEU 52 1HD1 LEU 52 -3.505 4.655 2.626 430 HD12 LEU 52 2HD1 LEU 52 -3.837 6.154 3.492 431 HD13 LEU 52 3HD1 LEU 52 -2.967 4.847 4.294 432 HD21 LEU 52 3HD2 LEU 52 -2.979 6.480 1.152 433 HD22 LEU 52 1HD2 LEU 52 -1.526 5.559 0.764 434 HD23 LEU 52 2HD2 LEU 52 -1.397 7.258 1.218 435 H ASN 53 H ASN 53 -0.888 9.548 2.378 436 HA ASN 53 HA ASN 53 0.955 11.562 3.240 437 HB2 ASN 53 2HB ASN 53 -1.564 11.247 1.777 438 HB3 ASN 53 1HB ASN 53 -1.466 12.791 2.620 439 HD21 ASN 53 1HD2 ASN 53 0.748 10.690 0.675 440 HD22 ASN 53 2HD2 ASN 53 1.421 11.970 -0.212 441 HA PRO 54 HA PRO 54 -0.490 12.974 7.144 442 HB2 PRO 54 2HB PRO 54 -1.273 15.583 6.778 443 HB3 PRO 54 1HB PRO 54 0.426 15.065 6.818 444 HG2 PRO 54 2HG PRO 54 -1.333 15.579 4.456 445 HG3 PRO 54 1HG PRO 54 0.346 16.079 4.738 446 HD2 PRO 54 2HD PRO 54 -0.224 13.983 3.184 447 HD3 PRO 54 1HD PRO 54 1.194 13.972 4.256 448 H ASN 55 H ASN 55 -2.683 13.086 4.480 449 HA ASN 55 HA ASN 55 -4.986 12.796 6.361 450 HB2 ASN 55 2HB ASN 55 -4.687 15.159 5.490 451 HB3 ASN 55 1HB ASN 55 -4.952 14.521 3.868 452 HD21 ASN 55 1HD2 ASN 55 -6.735 16.427 5.182 453 HD22 ASN 55 2HD2 ASN 55 -8.233 15.656 5.386 454 H LEU 56 H LEU 56 -4.865 10.494 5.742 455 HA LEU 56 HA LEU 56 -5.317 9.889 2.866 456 HB2 LEU 56 2HB LEU 56 -5.123 7.491 3.833 457 HB3 LEU 56 1HB LEU 56 -3.689 8.508 3.853 458 HG LEU 56 HG LEU 56 -3.919 8.965 6.182 459 HD11 LEU 56 1HD1 LEU 56 -6.253 9.402 6.420 460 HD12 LEU 56 2HD1 LEU 56 -5.932 7.995 7.434 461 HD13 LEU 56 3HD1 LEU 56 -6.686 7.789 5.853 462 HD21 LEU 56 3HD2 LEU 56 -4.444 6.477 7.027 463 HD22 LEU 56 1HD2 LEU 56 -2.955 6.874 6.171 464 HD23 LEU 56 2HD2 LEU 56 -4.305 6.143 5.301 465 H ASP 57 H ASP 57 -6.960 8.031 2.496 466 HA ASP 57 HA ASP 57 -9.177 7.560 4.195 467 HB2 ASP 57 2HB ASP 57 -9.025 10.204 3.245 468 HB3 ASP 57 1HB ASP 57 -10.285 9.439 2.283 469 H GLN 58 H GLN 58 -11.273 7.394 2.469 470 HA GLN 58 HA GLN 58 -10.646 5.154 0.830 471 HB2 GLN 58 2HB GLN 58 -12.981 7.036 1.142 472 HB3 GLN 58 1HB GLN 58 -13.035 5.706 -0.014 473 HG2 GLN 58 2HG GLN 58 -12.834 4.068 1.683 474 HG3 GLN 58 1HG GLN 58 -12.270 5.246 2.869 475 HE21 GLN 58 1HE2 GLN 58 -13.956 5.107 4.419 476 HE22 GLN 58 2HE2 GLN 58 -15.583 5.434 4.067 477 H SER 59 H SER 59 -10.881 8.602 0.148 478 HA SER 59 HA SER 59 -10.968 8.412 -2.703 479 HB2 SER 59 2HB SER 59 -11.069 10.359 -0.688 480 HB3 SER 59 1HB SER 59 -9.659 10.781 -1.655 481 HG SER 59 HG SER 59 -11.307 10.243 -3.459 482 H GLN 60 H GLN 60 -8.298 8.830 -0.384 483 HA GLN 60 HA GLN 60 -6.215 9.067 -2.358 484 HB2 GLN 60 2HB GLN 60 -6.427 8.386 0.571 485 HB3 GLN 60 1HB GLN 60 -4.867 8.318 -0.244 486 HG2 GLN 60 2HG GLN 60 -6.456 10.761 -0.760 487 HG3 GLN 60 1HG GLN 60 -5.871 10.576 0.894 488 HE21 GLN 60 1HE2 GLN 60 -3.443 10.117 1.103 489 HE22 GLN 60 2HE2 GLN 60 -2.404 10.804 -0.051 490 H LEU 61 H LEU 61 -7.431 6.287 -0.451 491 HA LEU 61 HA LEU 61 -5.597 4.367 -1.542 492 HB2 LEU 61 2HB LEU 61 -8.416 4.056 -0.468 493 HB3 LEU 61 1HB LEU 61 -7.244 2.750 -0.665 494 HG LEU 61 HG LEU 61 -6.742 5.210 1.034 495 HD11 LEU 61 1HD1 LEU 61 -8.648 3.741 1.841 496 HD12 LEU 61 2HD1 LEU 61 -7.295 3.890 2.964 497 HD13 LEU 61 3HD1 LEU 61 -7.476 2.432 1.988 498 HD21 LEU 61 3HD2 LEU 61 -5.221 2.997 1.868 499 HD22 LEU 61 1HD2 LEU 61 -4.632 4.409 0.990 500 HD23 LEU 61 2HD2 LEU 61 -5.143 2.971 0.106 501 H ALA 62 H ALA 62 -8.759 5.558 -2.629 502 HA ALA 62 HA ALA 62 -9.382 3.647 -4.577 503 HB1 ALA 62 1HB ALA 62 -10.001 6.411 -3.906 504 HB2 ALA 62 2HB ALA 62 -11.049 5.189 -4.626 505 HB3 ALA 62 3HB ALA 62 -10.004 6.171 -5.653 506 H LEU 63 H LEU 63 -7.051 6.286 -4.616 507 HA LEU 63 HA LEU 63 -6.362 6.072 -7.392 508 HB2 LEU 63 2HB LEU 63 -5.233 7.288 -4.887 509 HB3 LEU 63 1HB LEU 63 -4.270 7.287 -6.361 510 HG LEU 63 HG LEU 63 -7.045 8.448 -6.034 511 HD11 LEU 63 1HD1 LEU 63 -5.892 10.279 -5.377 512 HD12 LEU 63 2HD1 LEU 63 -5.240 10.360 -7.013 513 HD13 LEU 63 3HD1 LEU 63 -4.349 9.510 -5.750 514 HD21 LEU 63 3HD2 LEU 63 -6.341 9.333 -8.425 515 HD22 LEU 63 1HD2 LEU 63 -7.063 7.733 -8.248 516 HD23 LEU 63 2HD2 LEU 63 -5.316 7.898 -8.423 517 H GLU 64 H GLU 64 -4.834 4.900 -4.371 518 HA GLU 64 HA GLU 64 -2.761 3.400 -5.714 519 HB2 GLU 64 2HB GLU 64 -4.014 3.036 -2.968 520 HB3 GLU 64 1HB GLU 64 -2.412 2.487 -3.464 521 HG2 GLU 64 2HG GLU 64 -1.729 4.823 -3.861 522 HG3 GLU 64 1HG GLU 64 -3.329 5.376 -3.365 523 H LYS 65 H LYS 65 -5.949 2.524 -4.345 524 HA LYS 65 HA LYS 65 -5.820 -0.271 -4.872 525 HB2 LYS 65 2HB LYS 65 -8.135 1.695 -4.805 526 HB3 LYS 65 1HB LYS 65 -8.330 -0.055 -4.778 527 HG2 LYS 65 2HG LYS 65 -7.199 1.753 -2.660 528 HG3 LYS 65 1HG LYS 65 -8.395 0.472 -2.502 529 HD2 LYS 65 2HD LYS 65 -6.372 -1.054 -3.288 530 HD3 LYS 65 1HD LYS 65 -5.416 0.279 -2.638 531 HE2 LYS 65 2HE LYS 65 -5.729 -1.207 -0.787 532 HE3 LYS 65 1HE LYS 65 -6.935 0.071 -0.536 533 HZ1 LYS 65 3HZ LYS 65 -7.362 -2.575 -1.815 534 HZ2 LYS 65 1HZ LYS 65 -8.498 -1.316 -1.865 535 HZ3 LYS 65 2HZ LYS 65 -8.062 -2.006 -0.375 536 H GLU 66 H GLU 66 -6.780 2.456 -6.980 537 HA GLU 66 HA GLU 66 -7.843 0.853 -9.090 538 HB2 GLU 66 2HB GLU 66 -7.074 3.608 -8.529 539 HB3 GLU 66 1HB GLU 66 -6.749 3.168 -10.206 540 HG2 GLU 66 2HG GLU 66 -9.384 2.440 -8.950 541 HG3 GLU 66 1HG GLU 66 -9.124 4.071 -9.571 542 H ILE 67 H ILE 67 -4.608 2.295 -8.632 543 HA ILE 67 HA ILE 67 -3.484 1.009 -10.982 544 HB ILE 67 HB ILE 67 -2.032 2.201 -8.620 545 HG12 ILE 67 2HG1 ILE 67 -3.548 3.593 -10.842 546 HG13 ILE 67 1HG1 ILE 67 -3.748 3.815 -9.107 547 HG21 ILE 67 1HG2 ILE 67 -1.311 2.736 -11.446 548 HG22 ILE 67 2HG2 ILE 67 -1.091 1.076 -10.893 549 HG23 ILE 67 3HG2 ILE 67 -0.273 2.398 -10.061 550 HD11 ILE 67 3HD1 ILE 67 -1.750 4.979 -10.915 551 HD12 ILE 67 1HD1 ILE 67 -1.076 4.315 -9.427 552 HD13 ILE 67 2HD1 ILE 67 -2.328 5.556 -9.350 553 H ILE 68 H ILE 68 -3.303 0.449 -7.450 554 HA ILE 68 HA ILE 68 -1.331 -1.584 -7.503 555 HB ILE 68 HB ILE 68 -3.678 -0.915 -5.717 556 HG12 ILE 68 2HG1 ILE 68 -0.669 -0.735 -5.357 557 HG13 ILE 68 1HG1 ILE 68 -1.724 0.614 -5.776 558 HG21 ILE 68 1HG2 ILE 68 -3.233 -3.366 -5.583 559 HG22 ILE 68 2HG2 ILE 68 -2.838 -2.526 -4.083 560 HG23 ILE 68 3HG2 ILE 68 -1.551 -3.012 -5.186 561 HD11 ILE 68 3HD1 ILE 68 -1.415 0.750 -3.413 562 HD12 ILE 68 1HD1 ILE 68 -1.682 -0.981 -3.208 563 HD13 ILE 68 2HD1 ILE 68 -3.027 0.072 -3.644 564 H GLN 69 H GLN 69 -4.905 -1.922 -7.553 565 HA GLN 69 HA GLN 69 -4.904 -4.775 -7.877 566 HB2 GLN 69 2HB GLN 69 -6.844 -2.546 -8.558 567 HB3 GLN 69 1HB GLN 69 -7.251 -4.249 -8.764 568 HG2 GLN 69 2HG GLN 69 -6.877 -4.672 -6.394 569 HG3 GLN 69 1HG GLN 69 -6.338 -3.008 -6.154 570 HE21 GLN 69 1HE2 GLN 69 -8.987 -4.904 -5.637 571 HE22 GLN 69 2HE2 GLN 69 -10.215 -3.742 -5.793 572 H ARG 70 H ARG 70 -5.158 -2.097 -10.218 573 HA ARG 70 HA ARG 70 -5.369 -3.607 -12.579 574 HB2 ARG 70 2HB ARG 70 -4.379 -0.892 -11.794 575 HB3 ARG 70 1HB ARG 70 -4.158 -1.426 -13.461 576 HG2 ARG 70 2HG ARG 70 -6.835 -2.045 -12.526 577 HG3 ARG 70 1HG ARG 70 -6.490 -0.324 -12.352 578 HD2 ARG 70 2HD ARG 70 -5.565 -0.477 -14.781 579 HD3 ARG 70 1HD ARG 70 -6.481 -1.995 -14.864 580 HE ARG 70 HE ARG 70 -7.914 0.385 -13.828 581 HH11 ARG 70 1HH1 ARG 70 -7.305 0.557 -16.809 582 HH12 ARG 70 2HH1 ARG 70 -8.738 -0.143 -17.485 583 HH21 ARG 70 1HH2 ARG 70 -9.771 -1.568 -14.495 584 HH22 ARG 70 2HH2 ARG 70 -10.135 -1.347 -16.174 585 H ALA 71 H ALA 71 -2.383 -2.360 -10.977 586 HA ALA 71 HA ALA 71 -0.626 -3.503 -12.933 587 HB1 ALA 71 1HB ALA 71 -0.464 -1.751 -10.833 588 HB2 ALA 71 2HB ALA 71 0.938 -2.429 -11.662 589 HB3 ALA 71 3HB ALA 71 0.353 -3.166 -10.170 590 H LEU 72 H LEU 72 -1.569 -4.597 -9.669 591 HA LEU 72 HA LEU 72 -0.083 -7.026 -9.708 592 HB2 LEU 72 2HB LEU 72 -2.509 -6.015 -8.221 593 HB3 LEU 72 1HB LEU 72 -1.772 -7.576 -7.859 594 HG LEU 72 HG LEU 72 -0.228 -4.969 -7.873 595 HD11 LEU 72 1HD1 LEU 72 -0.306 -5.385 -5.318 596 HD12 LEU 72 2HD1 LEU 72 -1.691 -6.420 -5.667 597 HD13 LEU 72 3HD1 LEU 72 -1.745 -4.705 -6.077 598 HD21 LEU 72 3HD2 LEU 72 1.581 -6.216 -7.190 599 HD22 LEU 72 1HD2 LEU 72 0.736 -7.479 -8.083 600 HD23 LEU 72 2HD2 LEU 72 0.580 -7.385 -6.329 601 H GLU 73 H GLU 73 -3.348 -6.217 -10.767 602 HA GLU 73 HA GLU 73 -4.237 -8.904 -11.227 603 HB2 GLU 73 2HB GLU 73 -5.105 -6.143 -12.085 604 HB3 GLU 73 1HB GLU 73 -5.965 -7.581 -12.625 605 HG2 GLU 73 2HG GLU 73 -5.491 -7.736 -9.780 606 HG3 GLU 73 1HG GLU 73 -6.305 -6.223 -10.174 607 H ASN 74 H ASN 74 -2.947 -6.333 -13.329 608 HA ASN 74 HA ASN 74 -3.090 -7.799 -15.763 609 HB2 ASN 74 2HB ASN 74 -1.899 -5.343 -14.673 610 HB3 ASN 74 1HB ASN 74 -0.967 -6.043 -15.998 611 HD21 ASN 74 1HD2 ASN 74 -3.711 -4.122 -15.275 612 HD22 ASN 74 2HD2 ASN 74 -4.421 -4.144 -16.817 613 H TYR 75 H TYR 75 -0.644 -7.544 -13.206 614 HA TYR 75 HA TYR 75 1.367 -9.080 -14.636 615 HB2 TYR 75 2HB TYR 75 1.204 -7.389 -12.495 616 HB3 TYR 75 1HB TYR 75 1.393 -8.945 -11.699 617 HD1 TYR 75 1HD TYR 75 3.402 -10.358 -12.160 618 HD2 TYR 75 2HD TYR 75 2.934 -6.438 -13.843 619 HE1 TYR 75 1HE TYR 75 5.811 -10.330 -12.763 620 HE2 TYR 75 2HE TYR 75 5.345 -6.405 -14.440 621 HH TYR 75 HH TYR 75 7.413 -9.244 -13.884 622 H GLY 76 H GLY 76 -1.121 -9.835 -12.214 623 HA2 GLY 76 2HA GLY 76 -2.166 -12.081 -12.376 624 HA3 GLY 76 1HA GLY 76 -0.547 -12.700 -12.659 625 H ALA 77 H ALA 77 -0.963 -10.180 -10.320 626 HA ALA 77 HA ALA 77 -0.352 -12.148 -8.146 627 HB1 ALA 77 1HB ALA 77 0.867 -9.791 -9.011 628 HB2 ALA 77 2HB ALA 77 1.164 -10.600 -7.472 629 HB3 ALA 77 3HB ALA 77 -0.024 -9.300 -7.570 630 H ARG 78 H ARG 78 -1.885 -12.412 -6.540 631 HA ARG 78 HA ARG 78 -4.130 -10.416 -6.437 632 HB2 ARG 78 2HB ARG 78 -4.260 -13.005 -7.204 633 HB3 ARG 78 1HB ARG 78 -4.475 -13.208 -5.464 634 HG2 ARG 78 2HG ARG 78 -6.071 -11.192 -7.052 635 HG3 ARG 78 1HG ARG 78 -6.612 -12.858 -6.836 636 HD2 ARG 78 2HD ARG 78 -5.845 -11.970 -4.263 637 HD3 ARG 78 1HD ARG 78 -6.805 -10.657 -4.974 638 HE ARG 78 HE ARG 78 -8.667 -12.152 -5.154 639 HH11 ARG 78 1HH2 ARG 78 -6.076 -14.214 -5.401 640 HH12 ARG 78 2HH2 ARG 78 -6.717 -15.454 -4.376 641 HH21 ARG 78 1HH1 ARG 78 -9.383 -13.533 -3.271 642 HH22 ARG 78 2HH1 ARG 78 -8.588 -15.069 -3.171 643 H VAL 79 H VAL 79 -4.816 -9.759 -4.338 644 HA VAL 79 HA VAL 79 -2.878 -10.226 -2.175 645 HB VAL 79 HB VAL 79 -5.434 -8.619 -2.064 646 HG11 VAL 79 1HG1 VAL 79 -3.875 -9.013 -0.060 647 HG12 VAL 79 2HG1 VAL 79 -4.275 -7.336 -0.434 648 HG13 VAL 79 3HG1 VAL 79 -2.711 -7.998 -0.912 649 HG21 VAL 79 3HG2 VAL 79 -4.669 -7.524 -3.917 650 HG22 VAL 79 1HG2 VAL 79 -3.045 -8.192 -3.757 651 HG23 VAL 79 2HG2 VAL 79 -3.523 -6.797 -2.791 652 H GLU 80 H GLU 80 -3.203 -11.878 -0.754 653 HA GLU 80 HA GLU 80 -5.714 -13.372 -0.716 654 HB2 GLU 80 2HB GLU 80 -2.962 -13.706 -0.112 655 HB3 GLU 80 1HB GLU 80 -3.838 -14.004 1.389 656 HG2 GLU 80 2HG GLU 80 -4.402 -15.301 -1.289 657 HG3 GLU 80 1HG GLU 80 -3.628 -16.082 0.091 658 H LYS 81 H LYS 81 -4.593 -10.589 0.859 659 HA LYS 81 HA LYS 81 -6.610 -10.924 3.030 660 HB2 LYS 81 2HB LYS 81 -4.917 -10.098 4.545 661 HB3 LYS 81 1HB LYS 81 -4.222 -11.418 3.606 662 HG2 LYS 81 2HG LYS 81 -2.620 -10.061 2.841 663 HG3 LYS 81 1HG LYS 81 -3.839 -9.008 2.131 664 HD2 LYS 81 2HD LYS 81 -2.471 -7.722 3.693 665 HD3 LYS 81 1HD LYS 81 -4.100 -7.887 4.351 666 HE2 LYS 81 2HE LYS 81 -2.526 -10.150 5.192 667 HE3 LYS 81 1HE LYS 81 -1.668 -8.651 5.602 668 HZ1 LYS 81 3HZ LYS 81 -4.409 -9.467 6.345 669 HZ2 LYS 81 1HZ LYS 81 -3.967 -7.830 6.324 670 HZ3 LYS 81 2HZ LYS 81 -3.158 -8.914 7.352 671 H VAL 82 H VAL 82 -7.545 -8.918 3.746 672 HA VAL 82 HA VAL 82 -6.768 -6.432 2.297 673 HB VAL 82 HB VAL 82 -9.451 -6.205 2.221 674 HG11 VAL 82 1HG1 VAL 82 -9.184 -6.357 -0.047 675 HG12 VAL 82 2HG1 VAL 82 -8.332 -7.898 0.051 676 HG13 VAL 82 3HG1 VAL 82 -7.478 -6.394 0.399 677 HG21 VAL 82 3HG2 VAL 82 -9.548 -8.596 3.232 678 HG22 VAL 82 1HG2 VAL 82 -9.076 -9.139 1.622 679 HG23 VAL 82 2HG2 VAL 82 -10.581 -8.247 1.845 680 H GLU 83 H GLU 83 -6.209 -5.180 4.077 681 HA GLU 83 HA GLU 83 -8.207 -5.064 6.316 682 HB2 GLU 83 2HB GLU 83 -5.476 -5.887 6.268 683 HB3 GLU 83 1HB GLU 83 -5.560 -4.372 7.168 684 HG2 GLU 83 2HG GLU 83 -5.918 -6.458 8.565 685 HG3 GLU 83 1HG GLU 83 -7.211 -5.263 8.672 686 H GLU 84 H GLU 84 -9.181 -3.078 5.985 687 HA GLU 84 HA GLU 84 -7.530 -0.759 5.224 688 HB2 GLU 84 2HB GLU 84 -9.477 -1.069 3.883 689 HB3 GLU 84 1HB GLU 84 -10.480 -1.387 5.298 690 HG2 GLU 84 2HG GLU 84 -9.276 1.168 5.668 691 HG3 GLU 84 1HG GLU 84 -9.942 1.128 4.035 692 H LEU 85 H LEU 85 -6.645 0.242 7.039 693 HA LEU 85 HA LEU 85 -8.525 0.956 9.242 694 HB2 LEU 85 2HB LEU 85 -5.851 -0.447 9.532 695 HB3 LEU 85 1HB LEU 85 -6.836 0.133 10.874 696 HG LEU 85 HG LEU 85 -8.697 -1.314 9.591 697 HD11 LEU 85 1HD1 LEU 85 -6.268 -3.032 9.179 698 HD12 LEU 85 2HD1 LEU 85 -6.746 -1.890 7.922 699 HD13 LEU 85 3HD1 LEU 85 -7.861 -3.158 8.431 700 HD21 LEU 85 3HD2 LEU 85 -6.594 -2.598 11.355 701 HD22 LEU 85 1HD2 LEU 85 -8.295 -3.046 11.224 702 HD23 LEU 85 2HD2 LEU 85 -7.841 -1.512 11.967 703 H GLY 86 H GLY 86 -7.249 2.443 10.856 704 HA2 GLY 86 2HA GLY 86 -5.913 4.336 11.256 705 HA3 GLY 86 1HA GLY 86 -4.997 3.938 9.807 706 H LEU 87 H LEU 87 -8.389 4.897 10.460 707 HA LEU 87 HA LEU 87 -8.403 6.514 8.034 708 HB2 LEU 87 2HB LEU 87 -10.238 5.117 9.701 709 HB3 LEU 87 1HB LEU 87 -10.734 6.810 9.664 710 HG LEU 87 HG LEU 87 -10.116 5.149 7.206 711 HD11 LEU 87 1HD1 LEU 87 -12.568 5.551 8.813 712 HD12 LEU 87 2HD1 LEU 87 -12.149 4.245 7.704 713 HD13 LEU 87 3HD1 LEU 87 -12.768 5.772 7.075 714 HD21 LEU 87 3HD2 LEU 87 -10.820 7.031 5.953 715 HD22 LEU 87 1HD2 LEU 87 -9.815 7.723 7.228 716 HD23 LEU 87 2HD2 LEU 87 -11.573 7.790 7.357 717 H ARG 88 H ARG 88 -6.578 7.896 9.227 718 HA ARG 88 HA ARG 88 -7.770 9.852 11.086 719 HB2 ARG 88 2HB ARG 88 -5.052 8.854 10.384 720 HB3 ARG 88 1HB ARG 88 -5.178 10.494 11.014 721 HG2 ARG 88 2HG ARG 88 -6.523 8.169 12.393 722 HG3 ARG 88 1HG ARG 88 -4.848 8.604 12.737 723 HD2 ARG 88 2HD ARG 88 -5.552 10.889 13.358 724 HD3 ARG 88 1HD ARG 88 -7.239 10.464 13.007 725 HE ARG 88 HE ARG 88 -6.533 8.478 14.734 726 HH11 ARG 88 1HH1 ARG 88 -8.157 10.976 15.496 727 HH12 ARG 88 2HH1 ARG 88 -7.293 11.503 16.902 728 HH21 ARG 88 1HH2 ARG 88 -4.509 9.540 16.250 729 HH22 ARG 88 2HH2 ARG 88 -5.226 10.689 17.328 730 H ARG 89 H ARG 89 -7.636 12.128 10.628 731 HA ARG 89 HA ARG 89 -6.795 12.899 7.872 732 HB2 ARG 89 2HB ARG 89 -9.443 13.498 9.213 733 HB3 ARG 89 1HB ARG 89 -8.950 14.097 7.630 734 HG2 ARG 89 2HG ARG 89 -8.873 11.854 6.730 735 HG3 ARG 89 1HG ARG 89 -9.137 11.155 8.328 736 HD2 ARG 89 2HD ARG 89 -11.206 13.105 7.565 737 HD3 ARG 89 1HD ARG 89 -11.148 11.675 6.514 738 HE ARG 89 HE ARG 89 -10.926 11.032 9.357 739 HH11 ARG 89 1HH2 ARG 89 -12.442 10.131 6.589 740 HH12 ARG 89 2HH2 ARG 89 -14.013 9.890 7.277 741 HH21 ARG 89 1HH1 ARG 89 -13.205 11.370 10.306 742 HH22 ARG 89 2HH1 ARG 89 -14.445 10.591 9.380 743 H LEU 90 H LEU 90 -5.532 13.343 10.362 744 HA LEU 90 HA LEU 90 -6.138 15.994 11.394 745 HB2 LEU 90 2HB LEU 90 -4.444 13.720 11.947 746 HB3 LEU 90 1HB LEU 90 -3.498 15.206 12.040 747 HG LEU 90 HG LEU 90 -4.528 14.674 14.221 748 HD11 LEU 90 1HD1 LEU 90 -4.411 16.936 14.311 749 HD12 LEU 90 2HD1 LEU 90 -6.150 16.905 14.015 750 HD13 LEU 90 3HD1 LEU 90 -5.030 17.114 12.669 751 HD21 LEU 90 3HD2 LEU 90 -6.829 14.203 12.495 752 HD22 LEU 90 1HD2 LEU 90 -7.229 15.302 13.815 753 HD23 LEU 90 2HD2 LEU 90 -6.571 13.704 14.166 754 H ALA 91 H ALA 91 -5.645 17.844 10.302 755 HA ALA 91 HA ALA 91 -3.070 17.974 8.788 756 HB1 ALA 91 1HB ALA 91 -5.369 17.508 7.512 757 HB2 ALA 91 2HB ALA 91 -4.151 18.580 6.822 758 HB3 ALA 91 3HB ALA 91 -5.537 19.255 7.677 759 H TYR 92 H TYR 92 -2.405 19.257 10.707 760 HA TYR 92 HA TYR 92 -3.739 21.927 10.916 761 HB2 TYR 92 2HB TYR 92 -2.389 20.026 12.735 762 HB3 TYR 92 1HB TYR 92 -1.999 21.722 13.021 763 HD1 TYR 92 1HD TYR 92 -5.167 20.254 11.704 764 HD2 TYR 92 2HD TYR 92 -3.231 22.265 14.968 765 HE1 TYR 92 1HE TYR 92 -7.363 20.574 12.810 766 HE2 TYR 92 2HE TYR 92 -5.428 22.586 16.075 767 HH TYR 92 HH TYR 92 -8.183 20.920 15.202 768 HA PRO 93 HA PRO 93 -0.191 23.983 9.367 769 HB2 PRO 93 2HB PRO 93 0.048 26.139 11.033 770 HB3 PRO 93 1HB PRO 93 -1.254 25.983 9.837 771 HG2 PRO 93 2HG PRO 93 -1.315 25.513 12.770 772 HG3 PRO 93 1HG PRO 93 -2.550 26.207 11.710 773 HD2 PRO 93 2HD PRO 93 -2.601 23.632 12.652 774 HD3 PRO 93 1HD PRO 93 -3.405 24.167 11.160 775 H ILE 94 H ILE 94 0.798 21.850 10.676 776 HA ILE 94 HA ILE 94 2.737 22.825 12.727 777 HB ILE 94 HB ILE 94 2.190 19.991 11.813 778 HG12 ILE 94 2HG1 ILE 94 0.055 21.118 12.436 779 HG13 ILE 94 1HG1 ILE 94 0.498 19.852 13.582 780 HG21 ILE 94 1HG2 ILE 94 3.630 19.452 13.457 781 HG22 ILE 94 2HG2 ILE 94 2.695 20.385 14.626 782 HG23 ILE 94 3HG2 ILE 94 3.962 21.170 13.683 783 HD11 ILE 94 3HD1 ILE 94 0.360 22.783 13.970 784 HD12 ILE 94 1HD1 ILE 94 1.763 21.995 14.691 785 HD13 ILE 94 2HD1 ILE 94 0.137 21.480 15.137 786 H ALA 95 H ALA 95 4.716 23.405 11.919 787 HA ALA 95 HA ALA 95 5.615 22.341 9.303 788 HB1 ALA 95 1HB ALA 95 6.962 24.327 11.150 789 HB2 ALA 95 2HB ALA 95 5.651 24.783 10.063 790 HB3 ALA 95 3HB ALA 95 7.167 24.168 9.405 791 H LYS 96 H LYS 96 7.265 20.848 9.110 792 HA LYS 96 HA LYS 96 9.074 20.323 11.399 793 HB2 LYS 96 2HB LYS 96 8.405 17.981 11.524 794 HB3 LYS 96 1HB LYS 96 6.965 18.983 11.704 795 HG2 LYS 96 2HG LYS 96 6.596 18.725 9.209 796 HG3 LYS 96 1HG LYS 96 7.886 17.521 9.216 797 HD2 LYS 96 2HD LYS 96 6.225 16.779 11.344 798 HD3 LYS 96 1HD LYS 96 5.113 17.246 10.057 799 HE2 LYS 96 2HE LYS 96 7.466 15.431 9.494 800 HE3 LYS 96 1HE LYS 96 5.910 14.787 10.056 801 HZ1 LYS 96 3HZ LYS 96 6.154 15.021 7.570 802 HZ2 LYS 96 1HZ LYS 96 6.129 16.701 7.803 803 HZ3 LYS 96 2HZ LYS 96 4.785 15.762 8.249 Start of MODEL 2 1 H1 MET 1 1HT MET 1 3.147 10.171 9.867 2 H2 MET 1 2HT MET 1 2.017 10.225 8.599 3 H3 MET 1 3HT MET 1 3.250 9.056 8.593 4 HA MET 1 HA MET 1 0.959 8.253 9.291 5 HB2 MET 1 2HB MET 1 3.276 7.226 9.622 6 HB3 MET 1 1HB MET 1 3.252 7.922 11.244 7 HG2 MET 1 2HG MET 1 2.162 6.057 11.902 8 HG3 MET 1 1HG MET 1 0.770 6.668 11.008 9 HE1 MET 1 2HE MET 1 4.335 5.177 9.931 10 HE2 MET 1 3HE MET 1 3.820 3.496 9.797 11 HE3 MET 1 1HE MET 1 3.647 4.359 11.332 12 H ASP 2 H ASP 2 2.808 10.130 11.716 13 HA ASP 2 HA ASP 2 0.807 10.128 13.748 14 HB2 ASP 2 2HB ASP 2 3.218 10.710 13.990 15 HB3 ASP 2 1HB ASP 2 2.925 12.199 13.093 16 HA PRO 3 HA PRO 3 -0.729 14.184 11.809 17 HB2 PRO 3 2HB PRO 3 0.035 14.788 9.255 18 HB3 PRO 3 1HB PRO 3 0.981 15.267 10.677 19 HG2 PRO 3 2HG PRO 3 1.504 13.152 8.698 20 HG3 PRO 3 1HG PRO 3 2.632 14.058 9.713 21 HD2 PRO 3 2HD PRO 3 1.699 11.424 10.136 22 HD3 PRO 3 1HD PRO 3 2.655 12.416 11.260 23 H GLN 4 H GLN 4 -0.756 11.122 10.614 24 HA GLN 4 HA GLN 4 -3.388 11.494 9.286 25 HB2 GLN 4 2HB GLN 4 -2.524 10.084 7.379 26 HB3 GLN 4 1HB GLN 4 -1.721 11.647 7.507 27 HG2 GLN 4 2HG GLN 4 0.201 10.682 8.560 28 HG3 GLN 4 1HG GLN 4 -0.622 9.139 8.791 29 HE21 GLN 4 1HE2 GLN 4 -1.643 8.426 6.417 30 HE22 GLN 4 2HE2 GLN 4 -0.471 8.403 5.192 31 H GLY 5 H GLY 5 -3.237 8.673 8.330 32 HA2 GLY 5 2HA GLY 5 -2.593 6.999 10.606 33 HA3 GLY 5 1HA GLY 5 -4.322 7.316 10.523 34 H TYR 6 H TYR 6 -1.963 6.787 7.871 35 HA TYR 6 HA TYR 6 -3.855 4.922 6.618 36 HB2 TYR 6 2HB TYR 6 -2.398 6.591 5.430 37 HB3 TYR 6 1HB TYR 6 -0.999 5.627 5.910 38 HD1 TYR 6 1HD TYR 6 -0.922 3.176 5.228 39 HD2 TYR 6 2HD TYR 6 -3.683 5.985 3.524 40 HE1 TYR 6 1HE TYR 6 -1.272 1.659 3.298 41 HE2 TYR 6 2HE TYR 6 -4.037 4.469 1.593 42 HH TYR 6 HH TYR 6 -2.016 1.777 0.980 43 H PHE 7 H PHE 7 -3.740 2.715 6.721 44 HA PHE 7 HA PHE 7 -1.292 1.327 7.450 45 HB2 PHE 7 2HB PHE 7 -3.337 2.087 9.383 46 HB3 PHE 7 1HB PHE 7 -3.077 0.343 9.359 47 HD1 PHE 7 1HD PHE 7 -0.757 -0.575 9.687 48 HD2 PHE 7 2HD PHE 7 -1.688 3.579 10.265 49 HE1 PHE 7 1HE PHE 7 1.353 -0.279 10.954 50 HE2 PHE 7 2HE PHE 7 0.422 3.874 11.535 51 HZ PHE 7 HZ PHE 7 1.943 1.945 11.878 52 H LEU 8 H LEU 8 -1.537 0.006 5.632 53 HA LEU 8 HA LEU 8 -3.889 -1.785 5.630 54 HB2 LEU 8 2HB LEU 8 -2.729 -0.122 3.393 55 HB3 LEU 8 1HB LEU 8 -3.811 -1.480 3.087 56 HG LEU 8 HG LEU 8 -5.393 -0.318 4.793 57 HD11 LEU 8 1HD1 LEU 8 -4.771 1.686 5.611 58 HD12 LEU 8 2HD1 LEU 8 -4.480 2.304 3.985 59 HD13 LEU 8 3HD1 LEU 8 -3.194 1.463 4.850 60 HD21 LEU 8 3HD2 LEU 8 -5.861 -0.495 2.386 61 HD22 LEU 8 1HD2 LEU 8 -4.823 0.895 2.069 62 HD23 LEU 8 2HD2 LEU 8 -6.321 1.103 2.975 63 H TRP 9 H TRP 9 -3.200 -3.890 5.578 64 HA TRP 9 HA TRP 9 -0.410 -4.462 4.685 65 HB2 TRP 9 2HB TRP 9 -2.071 -5.276 6.818 66 HB3 TRP 9 1HB TRP 9 -1.927 -6.688 5.773 67 HD1 TRP 9 HD TRP 9 0.892 -6.756 4.797 68 HE1 TRP 9 1HE TRP 9 2.936 -6.893 6.366 69 HE3 TRP 9 3HE TRP 9 -1.190 -4.978 9.107 70 HZ2 TRP 9 2HZ TRP 9 3.595 -6.320 9.095 71 HZ3 TRP 9 3HZ TRP 9 0.164 -4.783 11.173 72 HH2 TRP 9 HH TRP 9 2.551 -5.452 11.173 73 H TYR 10 H TYR 10 -0.085 -5.555 2.763 74 HA TYR 10 HA TYR 10 -2.465 -6.838 1.461 75 HB2 TYR 10 2HB TYR 10 -2.180 -4.870 0.256 76 HB3 TYR 10 1HB TYR 10 -0.449 -4.811 0.567 77 HD1 TYR 10 2HD TYR 10 1.041 -6.553 -0.599 78 HD2 TYR 10 1HD TYR 10 -3.012 -5.746 -1.760 79 HE1 TYR 10 2HE TYR 10 1.476 -7.568 -2.819 80 HE2 TYR 10 1HE TYR 10 -2.578 -6.755 -3.983 81 HH TYR 10 HH TYR 10 -1.122 -7.891 -5.233 82 H GLN 11 H GLN 11 -2.055 -8.999 0.918 83 HA GLN 11 HA GLN 11 0.793 -9.825 0.749 84 HB2 GLN 11 2HB GLN 11 -1.358 -10.649 2.420 85 HB3 GLN 11 1HB GLN 11 -0.954 -12.002 1.362 86 HG2 GLN 11 2HG GLN 11 1.504 -11.502 1.985 87 HG3 GLN 11 1HG GLN 11 0.833 -10.544 3.306 88 HE21 GLN 11 1HE2 GLN 11 1.472 -11.998 5.012 89 HE22 GLN 11 2HE2 GLN 11 0.809 -13.552 5.177 90 H VAL 12 H VAL 12 1.240 -11.593 -0.791 91 HA VAL 12 HA VAL 12 -0.882 -11.894 -2.887 92 HB VAL 12 HB VAL 12 0.917 -11.670 -4.557 93 HG11 VAL 12 1HG1 VAL 12 -0.283 -9.663 -3.731 94 HG12 VAL 12 2HG1 VAL 12 1.368 -9.297 -4.231 95 HG13 VAL 12 3HG1 VAL 12 0.977 -9.440 -2.517 96 HG21 VAL 12 3HG2 VAL 12 2.607 -11.573 -2.072 97 HG22 VAL 12 1HG2 VAL 12 3.136 -10.702 -3.514 98 HG23 VAL 12 2HG2 VAL 12 2.892 -12.449 -3.575 99 H GLU 13 H GLU 13 -0.045 -13.710 -4.486 100 HA GLU 13 HA GLU 13 1.090 -15.969 -2.881 101 HB2 GLU 13 2HB GLU 13 -0.623 -17.328 -4.274 102 HB3 GLU 13 1HB GLU 13 -1.248 -16.362 -2.940 103 HG2 GLU 13 2HG GLU 13 -1.732 -14.521 -4.557 104 HG3 GLU 13 1HG GLU 13 -1.215 -15.580 -5.869 105 H MET 14 H MET 14 2.752 -14.518 -4.491 106 HA MET 14 HA MET 14 3.159 -16.340 -6.833 107 HB2 MET 14 2HB MET 14 3.487 -13.320 -6.742 108 HB3 MET 14 1HB MET 14 3.719 -14.343 -8.160 109 HG2 MET 14 2HG MET 14 1.113 -14.075 -6.637 110 HG3 MET 14 1HG MET 14 1.486 -13.250 -8.150 111 HE1 MET 14 3HE MET 14 2.394 -15.534 -10.542 112 HE2 MET 14 1HE MET 14 1.814 -13.930 -10.074 113 HE3 MET 14 2HE MET 14 0.703 -15.100 -10.782 114 HA PRO 15 HA PRO 15 7.223 -16.688 -5.220 115 HB2 PRO 15 2HB PRO 15 8.626 -17.131 -7.523 116 HB3 PRO 15 1HB PRO 15 7.647 -18.346 -6.726 117 HG2 PRO 15 2HG PRO 15 7.035 -16.687 -9.100 118 HG3 PRO 15 1HG PRO 15 6.590 -18.367 -8.766 119 HD2 PRO 15 2HD PRO 15 4.853 -16.277 -8.525 120 HD3 PRO 15 1HD PRO 15 4.724 -17.776 -7.577 121 H GLU 16 H GLU 16 9.564 -16.135 -6.223 122 HA GLU 16 HA GLU 16 10.063 -13.394 -5.826 123 HB2 GLU 16 2HB GLU 16 11.573 -15.526 -5.989 124 HB3 GLU 16 1HB GLU 16 11.627 -15.149 -7.709 125 HG2 GLU 16 2HG GLU 16 12.692 -13.068 -7.342 126 HG3 GLU 16 1HG GLU 16 12.258 -13.052 -5.633 127 H ASP 17 H ASP 17 8.981 -15.212 -8.568 128 HA ASP 17 HA ASP 17 9.606 -13.498 -10.724 129 HB2 ASP 17 2HB ASP 17 8.700 -15.785 -10.879 130 HB3 ASP 17 1HB ASP 17 7.167 -15.223 -10.212 131 H ARG 18 H ARG 18 7.243 -13.134 -8.179 132 HA ARG 18 HA ARG 18 5.728 -11.058 -9.631 133 HB2 ARG 18 2HB ARG 18 4.253 -11.189 -7.763 134 HB3 ARG 18 1HB ARG 18 4.816 -12.833 -8.041 135 HG2 ARG 18 2HG ARG 18 5.768 -12.938 -6.002 136 HG3 ARG 18 1HG ARG 18 6.601 -11.404 -6.237 137 HD2 ARG 18 2HD ARG 18 3.720 -11.768 -5.336 138 HD3 ARG 18 1HD ARG 18 5.067 -11.157 -4.356 139 HE ARG 18 HE ARG 18 4.983 -9.569 -6.687 140 HH11 ARG 18 1HH2 ARG 18 4.495 -8.994 -3.597 141 HH12 ARG 18 2HH2 ARG 18 3.048 -8.052 -3.728 142 HH21 ARG 18 1HH1 ARG 18 2.457 -8.933 -7.030 143 HH22 ARG 18 2HH1 ARG 18 1.892 -8.020 -5.670 144 H VAL 19 H VAL 19 8.508 -11.192 -7.638 145 HA VAL 19 HA VAL 19 8.458 -8.874 -6.085 146 HB VAL 19 HB VAL 19 10.640 -10.047 -7.840 147 HG11 VAL 19 1HG1 VAL 19 11.338 -7.822 -7.292 148 HG12 VAL 19 2HG1 VAL 19 12.158 -8.891 -6.154 149 HG13 VAL 19 3HG1 VAL 19 10.744 -7.973 -5.638 150 HG21 VAL 19 3HG2 VAL 19 10.535 -10.325 -4.868 151 HG22 VAL 19 1HG2 VAL 19 11.114 -11.465 -6.082 152 HG23 VAL 19 2HG2 VAL 19 9.382 -11.268 -5.812 153 H ASN 20 H ASN 20 9.195 -9.144 -9.567 154 HA ASN 20 HA ASN 20 9.742 -6.411 -10.106 155 HB2 ASN 20 2HB ASN 20 8.785 -8.821 -11.589 156 HB3 ASN 20 1HB ASN 20 8.622 -7.261 -12.395 157 HD21 ASN 20 1HD2 ASN 20 11.239 -7.841 -10.092 158 HD22 ASN 20 2HD2 ASN 20 12.486 -7.853 -11.244 159 H ASP 21 H ASP 21 6.698 -8.111 -9.619 160 HA ASP 21 HA ASP 21 4.891 -6.271 -10.764 161 HB2 ASP 21 2HB ASP 21 4.617 -8.642 -9.726 162 HB3 ASP 21 1HB ASP 21 4.404 -7.781 -8.204 163 H LEU 22 H LEU 22 6.219 -6.445 -7.463 164 HA LEU 22 HA LEU 22 4.826 -4.212 -6.364 165 HB2 LEU 22 2HB LEU 22 7.535 -5.470 -5.838 166 HB3 LEU 22 1HB LEU 22 6.870 -4.199 -4.817 167 HG LEU 22 HG LEU 22 6.200 -6.140 -3.697 168 HD11 LEU 22 1HD1 LEU 22 3.897 -5.736 -5.620 169 HD12 LEU 22 2HD1 LEU 22 4.259 -4.640 -4.286 170 HD13 LEU 22 3HD1 LEU 22 3.812 -6.313 -3.956 171 HD21 LEU 22 3HD2 LEU 22 5.809 -8.210 -4.662 172 HD22 LEU 22 1HD2 LEU 22 6.905 -7.510 -5.852 173 HD23 LEU 22 2HD2 LEU 22 5.166 -7.515 -6.149 174 H ALA 23 H ALA 23 7.831 -4.400 -8.247 175 HA ALA 23 HA ALA 23 8.666 -1.704 -7.920 176 HB1 ALA 23 1HB ALA 23 9.918 -3.744 -8.806 177 HB2 ALA 23 2HB ALA 23 10.169 -2.247 -9.705 178 HB3 ALA 23 3HB ALA 23 9.074 -3.479 -10.332 179 H ARG 24 H ARG 24 6.771 -3.255 -10.535 180 HA ARG 24 HA ARG 24 6.386 -0.948 -12.120 181 HB2 ARG 24 2HB ARG 24 5.048 -3.590 -11.692 182 HB3 ARG 24 1HB ARG 24 4.214 -2.388 -12.678 183 HG2 ARG 24 2HG ARG 24 7.115 -2.876 -13.215 184 HG3 ARG 24 1HG ARG 24 5.953 -4.083 -13.769 185 HD2 ARG 24 2HD ARG 24 4.787 -2.477 -15.122 186 HD3 ARG 24 1HD ARG 24 5.660 -1.124 -14.377 187 HE ARG 24 HE ARG 24 6.985 -3.202 -16.081 188 HH11 ARG 24 1HH2 ARG 24 7.414 -0.459 -14.146 189 HH12 ARG 24 2HH2 ARG 24 8.448 0.368 -15.262 190 HH21 ARG 24 1HH1 ARG 24 8.022 -1.964 -17.793 191 HH22 ARG 24 2HH1 ARG 24 8.793 -0.485 -17.327 192 H GLU 25 H GLU 25 4.356 -2.336 -9.540 193 HA GLU 25 HA GLU 25 2.349 -0.292 -9.629 194 HB2 GLU 25 2HB GLU 25 2.379 -2.695 -8.625 195 HB3 GLU 25 1HB GLU 25 3.097 -1.924 -7.210 196 HG2 GLU 25 2HG GLU 25 0.425 -1.248 -8.473 197 HG3 GLU 25 1HG GLU 25 0.685 -2.020 -6.908 198 H LEU 26 H LEU 26 5.265 -0.788 -7.675 199 HA LEU 26 HA LEU 26 5.030 1.338 -5.833 200 HB2 LEU 26 2HB LEU 26 7.258 -0.142 -7.199 201 HB3 LEU 26 1HB LEU 26 7.652 1.224 -6.156 202 HG LEU 26 HG LEU 26 5.871 -1.054 -5.270 203 HD11 LEU 26 1HD1 LEU 26 8.147 -1.876 -5.859 204 HD12 LEU 26 2HD1 LEU 26 7.836 -1.968 -4.125 205 HD13 LEU 26 3HD1 LEU 26 8.839 -0.671 -4.773 206 HD21 LEU 26 3HD2 LEU 26 5.556 0.871 -3.905 207 HD22 LEU 26 1HD2 LEU 26 7.277 1.255 -3.918 208 HD23 LEU 26 2HD2 LEU 26 6.692 -0.140 -3.011 209 H ARG 27 H ARG 27 6.201 1.333 -9.185 210 HA ARG 27 HA ARG 27 7.118 4.068 -9.190 211 HB2 ARG 27 2HB ARG 27 8.057 2.799 -10.867 212 HB3 ARG 27 1HB ARG 27 6.606 1.826 -11.084 213 HG2 ARG 27 2HG ARG 27 6.960 3.212 -13.061 214 HG3 ARG 27 1HG ARG 27 5.516 3.759 -12.209 215 HD2 ARG 27 2HD ARG 27 6.707 5.624 -11.228 216 HD3 ARG 27 1HD ARG 27 8.259 5.012 -11.837 217 HE ARG 27 HE ARG 27 6.433 5.271 -14.027 218 HH11 ARG 27 1HH1 ARG 27 5.859 7.874 -12.748 219 HH12 ARG 27 2HH1 ARG 27 7.103 8.898 -13.383 220 HH21 ARG 27 1HH2 ARG 27 9.095 6.268 -14.448 221 HH22 ARG 27 2HH2 ARG 27 8.934 7.989 -14.344 222 H ILE 28 H ILE 28 4.031 2.528 -10.182 223 HA ILE 28 HA ILE 28 2.865 4.901 -11.255 224 HB ILE 28 HB ILE 28 1.518 2.488 -10.015 225 HG12 ILE 28 2HG1 ILE 28 2.399 2.889 -12.892 226 HG13 ILE 28 1HG1 ILE 28 3.291 1.915 -11.726 227 HG21 ILE 28 1HG2 ILE 28 0.696 4.704 -11.862 228 HG22 ILE 28 2HG2 ILE 28 -0.176 4.013 -10.494 229 HG23 ILE 28 3HG2 ILE 28 -0.069 3.123 -12.014 230 HD11 ILE 28 3HD1 ILE 28 0.508 1.174 -11.653 231 HD12 ILE 28 1HD1 ILE 28 1.905 0.174 -12.058 232 HD13 ILE 28 2HD1 ILE 28 1.091 1.104 -13.317 233 H ARG 29 H ARG 29 2.595 3.370 -8.031 234 HA ARG 29 HA ARG 29 0.777 5.326 -6.942 235 HB2 ARG 29 2HB ARG 29 1.658 4.310 -4.766 236 HB3 ARG 29 1HB ARG 29 1.005 3.158 -5.932 237 HG2 ARG 29 2HG ARG 29 2.976 2.067 -5.852 238 HG3 ARG 29 1HG ARG 29 3.718 3.468 -6.622 239 HD2 ARG 29 2HD ARG 29 3.266 3.835 -3.740 240 HD3 ARG 29 1HD ARG 29 4.411 2.536 -4.128 241 HE ARG 29 HE ARG 29 4.753 5.074 -5.609 242 HH11 ARG 29 1HH1 ARG 29 6.746 2.755 -5.081 243 HH12 ARG 29 2HH1 ARG 29 7.852 3.543 -4.006 244 HH21 ARG 29 1HH2 ARG 29 5.726 6.200 -3.342 245 HH22 ARG 29 2HH2 ARG 29 7.275 5.494 -3.020 246 H ASP 30 H ASP 30 2.482 7.017 -8.150 247 HA ASP 30 HA ASP 30 4.760 7.828 -6.540 248 HB2 ASP 30 2HB ASP 30 3.578 8.360 -9.068 249 HB3 ASP 30 1HB ASP 30 3.695 9.905 -8.227 250 H ASN 31 H ASN 31 1.330 8.598 -6.538 251 HA ASN 31 HA ASN 31 1.457 11.101 -5.129 252 HB2 ASN 31 2HB ASN 31 -0.473 10.064 -6.411 253 HB3 ASN 31 1HB ASN 31 -0.716 8.990 -5.032 254 HD21 ASN 31 1HD2 ASN 31 -1.326 10.014 -2.944 255 HD22 ASN 31 2HD2 ASN 31 -2.046 11.551 -2.930 256 H VAL 32 H VAL 32 1.874 7.808 -4.092 257 HA VAL 32 HA VAL 32 1.240 8.312 -1.280 258 HB VAL 32 HB VAL 32 1.274 6.139 -2.871 259 HG11 VAL 32 1HG1 VAL 32 3.206 4.698 -2.125 260 HG12 VAL 32 2HG1 VAL 32 3.962 6.144 -1.467 261 HG13 VAL 32 3HG1 VAL 32 3.666 6.016 -3.201 262 HG21 VAL 32 3HG2 VAL 32 1.994 5.289 -0.202 263 HG22 VAL 32 1HG2 VAL 32 0.418 5.252 -0.994 264 HG23 VAL 32 2HG2 VAL 32 0.943 6.702 -0.137 265 H ARG 33 H ARG 33 2.838 8.326 0.447 266 HA ARG 33 HA ARG 33 5.279 9.770 -0.252 267 HB2 ARG 33 2HB ARG 33 3.607 9.174 2.041 268 HB3 ARG 33 1HB ARG 33 5.312 8.975 2.446 269 HG2 ARG 33 2HG ARG 33 5.529 11.272 1.116 270 HG3 ARG 33 1HG ARG 33 3.840 11.435 1.597 271 HD2 ARG 33 2HD ARG 33 4.401 11.232 3.938 272 HD3 ARG 33 1HD ARG 33 6.073 10.784 3.549 273 HE ARG 33 HE ARG 33 6.510 13.058 2.926 274 HH11 ARG 33 1HH2 ARG 33 3.799 13.421 1.540 275 HH12 ARG 33 2HH2 ARG 33 3.095 14.661 2.526 276 HH21 ARG 33 1HH1 ARG 33 5.345 14.245 5.127 277 HH22 ARG 33 2HH1 ARG 33 3.969 15.126 4.552 278 H ARG 34 H ARG 34 4.610 6.544 1.228 279 HA ARG 34 HA ARG 34 7.168 5.569 0.092 280 HB2 ARG 34 2HB ARG 34 6.979 6.647 2.673 281 HB3 ARG 34 1HB ARG 34 7.007 4.899 2.912 282 HG2 ARG 34 2HG ARG 34 8.960 6.258 1.056 283 HG3 ARG 34 1HG ARG 34 9.284 6.115 2.783 284 HD2 ARG 34 2HD ARG 34 8.504 3.549 2.157 285 HD3 ARG 34 1HD ARG 34 9.381 4.039 0.693 286 HE ARG 34 HE ARG 34 10.577 4.470 3.401 287 HH11 ARG 34 1HH2 ARG 34 11.195 4.528 0.129 288 HH12 ARG 34 2HH2 ARG 34 12.621 3.548 0.189 289 HH21 ARG 34 1HH1 ARG 34 12.193 2.658 3.512 290 HH22 ARG 34 2HH1 ARG 34 13.187 2.490 2.104 291 H VAL 35 H VAL 35 7.229 3.319 -0.122 292 HA VAL 35 HA VAL 35 4.966 1.724 1.006 293 HB VAL 35 HB VAL 35 6.011 1.256 -1.778 294 HG11 VAL 35 1HG1 VAL 35 3.184 1.012 -0.763 295 HG12 VAL 35 2HG1 VAL 35 4.378 -0.243 -0.432 296 HG13 VAL 35 3HG1 VAL 35 3.955 0.153 -2.097 297 HG21 VAL 35 3HG2 VAL 35 4.440 3.596 -0.874 298 HG22 VAL 35 1HG2 VAL 35 3.740 2.722 -2.233 299 HG23 VAL 35 2HG2 VAL 35 5.375 3.372 -2.349 300 H MET 36 H MET 36 5.697 -0.257 1.819 301 HA MET 36 HA MET 36 8.433 -1.110 1.067 302 HB2 MET 36 2HB MET 36 8.389 0.075 3.234 303 HB3 MET 36 1HB MET 36 7.169 -1.056 3.818 304 HG2 MET 36 2HG MET 36 8.992 -2.181 4.619 305 HG3 MET 36 1HG MET 36 9.059 -2.805 2.971 306 HE1 MET 36 3HE MET 36 12.691 -2.320 4.076 307 HE2 MET 36 1HE MET 36 11.213 -3.223 4.431 308 HE3 MET 36 2HE MET 36 11.675 -1.853 5.438 309 H VAL 37 H VAL 37 8.265 -3.111 0.137 310 HA VAL 37 HA VAL 37 6.135 -4.967 1.147 311 HB VAL 37 HB VAL 37 7.573 -5.052 -1.515 312 HG11 VAL 37 1HG1 VAL 37 6.367 -6.966 -1.602 313 HG12 VAL 37 2HG1 VAL 37 4.956 -5.924 -1.797 314 HG13 VAL 37 3HG1 VAL 37 5.403 -6.516 -0.196 315 HG21 VAL 37 3HG2 VAL 37 5.038 -3.990 -1.963 316 HG22 VAL 37 1HG2 VAL 37 6.554 -3.092 -2.015 317 HG23 VAL 37 2HG2 VAL 37 5.601 -3.125 -0.532 318 H VAL 38 H VAL 38 6.881 -6.823 2.132 319 HA VAL 38 HA VAL 38 9.780 -7.508 1.769 320 HB VAL 38 HB VAL 38 9.338 -8.611 4.077 321 HG11 VAL 38 1HG1 VAL 38 10.541 -6.805 4.668 322 HG12 VAL 38 2HG1 VAL 38 9.042 -5.882 4.791 323 HG13 VAL 38 3HG1 VAL 38 9.936 -5.914 3.272 324 HG21 VAL 38 3HG2 VAL 38 6.749 -8.096 3.558 325 HG22 VAL 38 1HG2 VAL 38 7.163 -6.595 4.386 326 HG23 VAL 38 2HG2 VAL 38 7.384 -8.142 5.203 327 H ALA 39 H ALA 39 10.249 -9.546 1.035 328 HA ALA 39 HA ALA 39 8.090 -11.275 0.100 329 HB1 ALA 39 1HB ALA 39 10.184 -12.694 -0.477 330 HB2 ALA 39 2HB ALA 39 11.106 -11.309 0.110 331 HB3 ALA 39 3HB ALA 39 10.015 -11.124 -1.263 332 H SER 40 H SER 40 7.747 -13.475 0.806 333 HA SER 40 HA SER 40 7.946 -13.852 3.682 334 HB2 SER 40 2HB SER 40 6.835 -15.220 1.291 335 HB3 SER 40 1HB SER 40 7.206 -16.264 2.661 336 HG SER 40 HG SER 40 5.889 -13.851 3.158 337 H THR 41 H THR 41 9.053 -15.741 4.670 338 HA THR 41 HA THR 41 11.777 -16.047 3.624 339 HB THR 41 HB THR 41 12.053 -17.270 5.777 340 HG1 THR 41 1HG THR 41 9.571 -17.801 5.494 341 HG21 THR 41 3HG2 THR 41 12.154 -14.783 5.680 342 HG22 THR 41 1HG2 THR 41 11.568 -15.375 7.235 343 HG23 THR 41 2HG2 THR 41 10.431 -14.726 6.053 344 H THR 42 H THR 42 9.001 -17.521 2.702 345 HA THR 42 HA THR 42 10.429 -19.915 1.778 346 HB THR 42 HB THR 42 8.429 -19.845 4.001 347 HG1 THR 42 1HG THR 42 10.730 -21.336 3.313 348 HG21 THR 42 3HG2 THR 42 7.733 -22.142 3.586 349 HG22 THR 42 1HG2 THR 42 8.734 -22.214 2.136 350 HG23 THR 42 2HG2 THR 42 7.326 -21.156 2.183 351 HA PRO 43 HA PRO 43 6.118 -19.909 -0.259 352 HB2 PRO 43 2HB PRO 43 4.191 -18.224 0.713 353 HB3 PRO 43 1HB PRO 43 4.435 -19.874 1.323 354 HG2 PRO 43 2HG PRO 43 5.335 -17.279 2.476 355 HG3 PRO 43 1HG PRO 43 4.694 -18.715 3.291 356 HD2 PRO 43 2HD PRO 43 7.340 -18.117 3.216 357 HD3 PRO 43 1HD PRO 43 6.722 -19.781 3.303 358 H GLY 44 H GLY 44 4.677 -18.101 -1.508 359 HA2 GLY 44 2HA GLY 44 6.582 -15.993 -2.279 360 HA3 GLY 44 1HA GLY 44 5.283 -16.593 -3.299 361 H ARG 45 H ARG 45 4.763 -15.883 0.083 362 HA ARG 45 HA ARG 45 2.771 -13.819 -0.688 363 HB2 ARG 45 2HB ARG 45 3.354 -15.651 1.580 364 HB3 ARG 45 1HB ARG 45 2.600 -14.114 2.009 365 HG2 ARG 45 2HG ARG 45 0.668 -14.564 0.797 366 HG3 ARG 45 1HG ARG 45 1.487 -15.688 -0.288 367 HD2 ARG 45 2HD ARG 45 1.830 -17.143 1.860 368 HD3 ARG 45 1HD ARG 45 0.507 -16.165 2.522 369 HE ARG 45 HE ARG 45 -0.376 -16.902 -0.015 370 HH11 ARG 45 1HH2 ARG 45 1.418 -18.983 1.906 371 HH12 ARG 45 2HH2 ARG 45 0.189 -20.196 2.051 372 HH21 ARG 45 1HH1 ARG 45 -2.270 -18.264 0.557 373 HH22 ARG 45 2HH1 ARG 45 -1.896 -19.789 1.287 374 H TYR 46 H TYR 46 3.037 -11.636 -0.165 375 HA TYR 46 HA TYR 46 5.576 -10.906 1.249 376 HB2 TYR 46 2HB TYR 46 4.030 -9.531 -0.945 377 HB3 TYR 46 1HB TYR 46 5.449 -8.862 -0.171 378 HD1 TYR 46 2HD TYR 46 4.392 -12.109 -1.758 379 HD2 TYR 46 1HD TYR 46 7.489 -9.182 -1.211 380 HE1 TYR 46 2HE TYR 46 5.879 -13.397 -3.266 381 HE2 TYR 46 1HE TYR 46 8.971 -10.468 -2.718 382 HH TYR 46 HH TYR 46 9.252 -12.625 -3.621 383 H GLU 47 H GLU 47 5.493 -9.077 2.584 384 HA GLU 47 HA GLU 47 2.787 -8.450 3.702 385 HB2 GLU 47 2HB GLU 47 5.480 -8.921 4.744 386 HB3 GLU 47 1HB GLU 47 4.771 -7.443 5.392 387 HG2 GLU 47 2HG GLU 47 2.733 -8.716 6.014 388 HG3 GLU 47 1HG GLU 47 3.496 -10.193 5.428 389 H VAL 48 H VAL 48 2.168 -6.737 2.282 390 HA VAL 48 HA VAL 48 4.053 -4.527 1.777 391 HB VAL 48 HB VAL 48 1.300 -5.361 0.899 392 HG11 VAL 48 1HG1 VAL 48 0.719 -3.153 0.857 393 HG12 VAL 48 2HG1 VAL 48 1.734 -3.118 -0.585 394 HG13 VAL 48 3HG1 VAL 48 2.393 -2.608 0.970 395 HG21 VAL 48 3HG2 VAL 48 2.398 -5.170 -1.328 396 HG22 VAL 48 1HG2 VAL 48 3.249 -6.284 -0.260 397 HG23 VAL 48 2HG2 VAL 48 3.884 -4.660 -0.528 398 H ASN 49 H ASN 49 4.203 -2.819 3.139 399 HA ASN 49 HA ASN 49 1.808 -1.966 4.693 400 HB2 ASN 49 2HB ASN 49 3.691 -1.331 6.422 401 HB3 ASN 49 1HB ASN 49 3.143 -3.003 6.340 402 HD21 ASN 49 1HD2 ASN 49 4.598 -4.587 5.382 403 HD22 ASN 49 2HD2 ASN 49 6.228 -4.227 5.075 404 H ILE 50 H ILE 50 1.387 -0.207 3.422 405 HA ILE 50 HA ILE 50 3.598 1.753 2.930 406 HB ILE 50 HB ILE 50 2.537 0.588 0.978 407 HG12 ILE 50 2HG1 ILE 50 2.477 3.559 1.412 408 HG13 ILE 50 1HG1 ILE 50 3.518 2.611 0.354 409 HG21 ILE 50 1HG2 ILE 50 0.257 0.524 2.122 410 HG22 ILE 50 2HG2 ILE 50 0.237 1.020 0.429 411 HG23 ILE 50 3HG2 ILE 50 0.095 2.230 1.704 412 HD11 ILE 50 3HD1 ILE 50 1.155 2.080 -0.807 413 HD12 ILE 50 1HD1 ILE 50 2.122 3.487 -1.244 414 HD13 ILE 50 2HD1 ILE 50 0.777 3.658 -0.118 415 H VAL 51 H VAL 51 3.150 3.959 3.262 416 HA VAL 51 HA VAL 51 0.748 4.563 4.951 417 HB VAL 51 HB VAL 51 2.883 4.757 6.110 418 HG11 VAL 51 1HG1 VAL 51 4.475 4.960 4.376 419 HG12 VAL 51 2HG1 VAL 51 4.513 6.535 5.169 420 HG13 VAL 51 3HG1 VAL 51 3.639 6.334 3.651 421 HG21 VAL 51 3HG2 VAL 51 2.819 7.152 6.716 422 HG22 VAL 51 1HG2 VAL 51 1.187 6.495 6.580 423 HG23 VAL 51 2HG2 VAL 51 1.849 7.489 5.282 424 H LEU 52 H LEU 52 -0.339 6.612 4.518 425 HA LEU 52 HA LEU 52 0.005 7.529 1.701 426 HB2 LEU 52 2HB LEU 52 -2.159 7.138 3.616 427 HB3 LEU 52 1HB LEU 52 -2.241 8.726 2.857 428 HG LEU 52 HG LEU 52 -2.172 6.034 1.468 429 HD11 LEU 52 1HD1 LEU 52 -4.255 7.412 0.429 430 HD12 LEU 52 2HD1 LEU 52 -4.209 8.123 2.042 431 HD13 LEU 52 3HD1 LEU 52 -4.407 6.381 1.851 432 HD21 LEU 52 3HD2 LEU 52 -1.088 7.109 -0.206 433 HD22 LEU 52 1HD2 LEU 52 -1.298 8.679 0.569 434 HD23 LEU 52 2HD2 LEU 52 -2.580 8.016 -0.445 435 H ASN 53 H ASN 53 -1.117 10.020 1.860 436 HA ASN 53 HA ASN 53 1.056 11.703 2.739 437 HB2 ASN 53 2HB ASN 53 -1.499 11.820 1.340 438 HB3 ASN 53 1HB ASN 53 -1.264 13.237 2.360 439 HD21 ASN 53 1HD2 ASN 53 0.177 11.382 -0.326 440 HD22 ASN 53 2HD2 ASN 53 1.182 12.636 -0.874 441 HA PRO 54 HA PRO 54 -0.106 12.903 6.815 442 HB2 PRO 54 2HB PRO 54 -0.648 15.598 6.734 443 HB3 PRO 54 1HB PRO 54 0.995 14.926 6.654 444 HG2 PRO 54 2HG PRO 54 -0.783 15.833 4.429 445 HG3 PRO 54 1HG PRO 54 0.944 16.140 4.684 446 HD2 PRO 54 2HD PRO 54 0.114 14.271 2.965 447 HD3 PRO 54 1HD PRO 54 1.565 14.023 3.960 448 H ASN 55 H ASN 55 -2.363 13.433 4.267 449 HA ASN 55 HA ASN 55 -4.598 13.303 6.259 450 HB2 ASN 55 2HB ASN 55 -4.294 15.601 5.405 451 HB3 ASN 55 1HB ASN 55 -4.407 15.002 3.750 452 HD21 ASN 55 1HD2 ASN 55 -6.266 16.918 5.030 453 HD22 ASN 55 2HD2 ASN 55 -7.797 16.184 5.012 454 H LEU 56 H LEU 56 -4.397 10.922 5.614 455 HA LEU 56 HA LEU 56 -4.933 10.118 2.887 456 HB2 LEU 56 2HB LEU 56 -5.491 7.911 4.127 457 HB3 LEU 56 1HB LEU 56 -3.863 8.554 4.298 458 HG LEU 56 HG LEU 56 -4.242 9.282 6.500 459 HD11 LEU 56 1HD1 LEU 56 -7.199 9.056 5.872 460 HD12 LEU 56 2HD1 LEU 56 -6.294 10.531 6.211 461 HD13 LEU 56 3HD1 LEU 56 -6.565 9.351 7.491 462 HD21 LEU 56 3HD2 LEU 56 -4.203 6.834 6.342 463 HD22 LEU 56 1HD2 LEU 56 -5.951 6.807 6.117 464 HD23 LEU 56 2HD2 LEU 56 -5.264 7.344 7.652 465 H ASP 57 H ASP 57 -6.956 8.696 2.440 466 HA ASP 57 HA ASP 57 -9.419 9.113 3.824 467 HB2 ASP 57 2HB ASP 57 -9.182 11.424 3.265 468 HB3 ASP 57 1HB ASP 57 -8.703 11.046 1.613 469 H GLN 58 H GLN 58 -11.312 8.565 2.332 470 HA GLN 58 HA GLN 58 -10.865 6.140 0.973 471 HB2 GLN 58 2HB GLN 58 -13.101 8.137 0.534 472 HB3 GLN 58 1HB GLN 58 -13.186 6.390 0.312 473 HG2 GLN 58 2HG GLN 58 -12.342 6.456 2.871 474 HG3 GLN 58 1HG GLN 58 -13.225 7.983 2.822 475 HE21 GLN 58 1HE2 GLN 58 -13.576 4.466 2.525 476 HE22 GLN 58 2HE2 GLN 58 -15.272 4.454 2.604 477 H SER 59 H SER 59 -11.055 9.459 -0.280 478 HA SER 59 HA SER 59 -10.958 8.738 -3.052 479 HB2 SER 59 2HB SER 59 -11.119 11.063 -1.379 480 HB3 SER 59 1HB SER 59 -9.860 11.327 -2.582 481 HG SER 59 HG SER 59 -11.660 10.304 -4.000 482 H GLN 60 H GLN 60 -8.523 9.359 -0.582 483 HA GLN 60 HA GLN 60 -6.282 9.535 -2.421 484 HB2 GLN 60 2HB GLN 60 -6.509 8.936 0.549 485 HB3 GLN 60 1HB GLN 60 -5.011 9.351 -0.281 486 HG2 GLN 60 2HG GLN 60 -7.477 11.109 -0.154 487 HG3 GLN 60 1HG GLN 60 -6.017 11.334 0.809 488 HE21 GLN 60 1HE2 GLN 60 -3.925 11.571 -0.558 489 HE22 GLN 60 2HE2 GLN 60 -4.054 12.426 -2.017 490 H LEU 61 H LEU 61 -7.560 6.924 -0.309 491 HA LEU 61 HA LEU 61 -5.593 4.974 -1.133 492 HB2 LEU 61 2HB LEU 61 -8.384 4.777 0.029 493 HB3 LEU 61 1HB LEU 61 -7.325 3.385 -0.210 494 HG LEU 61 HG LEU 61 -5.703 5.248 1.092 495 HD11 LEU 61 1HD1 LEU 61 -8.518 5.720 1.720 496 HD12 LEU 61 2HD1 LEU 61 -7.100 6.671 2.161 497 HD13 LEU 61 3HD1 LEU 61 -7.580 5.294 3.152 498 HD21 LEU 61 3HD2 LEU 61 -5.621 3.606 2.787 499 HD22 LEU 61 1HD2 LEU 61 -6.087 2.687 1.356 500 HD23 LEU 61 2HD2 LEU 61 -7.306 3.144 2.545 501 H ALA 62 H ALA 62 -8.798 5.904 -2.334 502 HA ALA 62 HA ALA 62 -9.314 3.790 -4.098 503 HB1 ALA 62 1HB ALA 62 -10.806 5.718 -3.524 504 HB2 ALA 62 2HB ALA 62 -10.697 5.453 -5.263 505 HB3 ALA 62 3HB ALA 62 -9.784 6.762 -4.512 506 H LEU 63 H LEU 63 -7.152 6.556 -4.388 507 HA LEU 63 HA LEU 63 -6.496 6.185 -7.150 508 HB2 LEU 63 2HB LEU 63 -5.353 7.575 -4.742 509 HB3 LEU 63 1HB LEU 63 -4.409 7.507 -6.226 510 HG LEU 63 HG LEU 63 -7.261 8.510 -6.122 511 HD11 LEU 63 1HD1 LEU 63 -6.460 10.401 -5.193 512 HD12 LEU 63 2HD1 LEU 63 -5.449 10.627 -6.621 513 HD13 LEU 63 3HD1 LEU 63 -4.816 9.761 -5.219 514 HD21 LEU 63 3HD2 LEU 63 -6.153 7.649 -8.294 515 HD22 LEU 63 1HD2 LEU 63 -5.113 9.069 -8.175 516 HD23 LEU 63 2HD2 LEU 63 -6.858 9.265 -8.340 517 H GLU 64 H GLU 64 -4.827 5.274 -4.122 518 HA GLU 64 HA GLU 64 -2.773 3.756 -5.485 519 HB2 GLU 64 2HB GLU 64 -3.803 3.916 -2.637 520 HB3 GLU 64 1HB GLU 64 -2.402 2.943 -3.092 521 HG2 GLU 64 2HG GLU 64 -2.693 5.928 -3.542 522 HG3 GLU 64 1HG GLU 64 -1.699 5.169 -2.297 523 H LYS 65 H LYS 65 -5.823 2.873 -3.824 524 HA LYS 65 HA LYS 65 -5.458 0.037 -4.159 525 HB2 LYS 65 2HB LYS 65 -7.421 1.919 -3.172 526 HB3 LYS 65 1HB LYS 65 -8.216 0.659 -4.114 527 HG2 LYS 65 2HG LYS 65 -7.987 0.037 -1.714 528 HG3 LYS 65 1HG LYS 65 -7.123 -1.074 -2.778 529 HD2 LYS 65 2HD LYS 65 -5.174 0.759 -2.325 530 HD3 LYS 65 1HD LYS 65 -6.058 0.863 -0.802 531 HE2 LYS 65 2HE LYS 65 -4.570 -0.886 -0.338 532 HE3 LYS 65 1HE LYS 65 -5.963 -1.795 -0.956 533 HZ1 LYS 65 3HZ LYS 65 -5.022 -1.698 -3.168 534 HZ2 LYS 65 1HZ LYS 65 -3.909 -2.413 -2.108 535 HZ3 LYS 65 2HZ LYS 65 -3.695 -0.802 -2.601 536 H GLU 66 H GLU 66 -6.783 2.552 -6.295 537 HA GLU 66 HA GLU 66 -8.059 0.736 -8.113 538 HB2 GLU 66 2HB GLU 66 -7.157 3.582 -8.059 539 HB3 GLU 66 1HB GLU 66 -7.568 2.883 -9.626 540 HG2 GLU 66 2HG GLU 66 -9.503 2.262 -7.493 541 HG3 GLU 66 1HG GLU 66 -9.391 3.978 -7.886 542 H ILE 67 H ILE 67 -4.881 2.373 -8.178 543 HA ILE 67 HA ILE 67 -3.993 1.005 -10.580 544 HB ILE 67 HB ILE 67 -2.398 2.444 -8.455 545 HG12 ILE 67 2HG1 ILE 67 -4.168 3.513 -10.661 546 HG13 ILE 67 1HG1 ILE 67 -4.245 3.892 -8.951 547 HG21 ILE 67 1HG2 ILE 67 -0.726 2.302 -9.947 548 HG22 ILE 67 2HG2 ILE 67 -1.746 2.985 -11.213 549 HG23 ILE 67 3HG2 ILE 67 -1.746 1.245 -10.924 550 HD11 ILE 67 3HD1 ILE 67 -3.003 5.701 -9.509 551 HD12 ILE 67 1HD1 ILE 67 -2.453 4.974 -11.019 552 HD13 ILE 67 2HD1 ILE 67 -1.665 4.552 -9.499 553 H ILE 68 H ILE 68 -3.295 0.665 -7.080 554 HA ILE 68 HA ILE 68 -1.257 -1.294 -7.307 555 HB ILE 68 HB ILE 68 -3.382 -0.724 -5.218 556 HG12 ILE 68 2HG1 ILE 68 -0.421 -0.072 -5.273 557 HG13 ILE 68 1HG1 ILE 68 -1.677 1.052 -5.795 558 HG21 ILE 68 1HG2 ILE 68 -0.937 -2.510 -5.080 559 HG22 ILE 68 2HG2 ILE 68 -2.619 -2.995 -4.863 560 HG23 ILE 68 3HG2 ILE 68 -1.838 -1.962 -3.666 561 HD11 ILE 68 3HD1 ILE 68 -2.674 1.060 -3.591 562 HD12 ILE 68 1HD1 ILE 68 -0.949 1.374 -3.405 563 HD13 ILE 68 2HD1 ILE 68 -1.598 -0.227 -3.049 564 H GLN 69 H GLN 69 -4.791 -1.715 -6.924 565 HA GLN 69 HA GLN 69 -4.779 -4.581 -6.973 566 HB2 GLN 69 2HB GLN 69 -6.721 -2.343 -7.432 567 HB3 GLN 69 1HB GLN 69 -7.211 -3.977 -7.883 568 HG2 GLN 69 2HG GLN 69 -6.126 -4.433 -5.423 569 HG3 GLN 69 1HG GLN 69 -6.783 -2.810 -5.201 570 HE21 GLN 69 1HE2 GLN 69 -8.784 -3.085 -4.183 571 HE22 GLN 69 2HE2 GLN 69 -9.980 -4.180 -4.683 572 H ARG 70 H ARG 70 -5.205 -2.152 -9.557 573 HA ARG 70 HA ARG 70 -5.608 -4.027 -11.669 574 HB2 ARG 70 2HB ARG 70 -5.643 -1.262 -11.242 575 HB3 ARG 70 1HB ARG 70 -4.398 -1.512 -12.467 576 HG2 ARG 70 2HG ARG 70 -5.926 -2.669 -13.909 577 HG3 ARG 70 1HG ARG 70 -7.148 -2.767 -12.642 578 HD2 ARG 70 2HD ARG 70 -8.009 -0.845 -13.492 579 HD3 ARG 70 1HD ARG 70 -6.565 -0.024 -12.866 580 HE ARG 70 HE ARG 70 -6.950 -0.952 -15.651 581 HH11 ARG 70 1HH2 ARG 70 -5.886 1.721 -14.348 582 HH12 ARG 70 2HH2 ARG 70 -4.248 1.672 -14.910 583 HH21 ARG 70 1HH1 ARG 70 -4.409 -1.652 -15.889 584 HH22 ARG 70 2HH1 ARG 70 -3.412 -0.239 -15.784 585 H ALA 71 H ALA 71 -2.655 -2.307 -10.545 586 HA ALA 71 HA ALA 71 -0.944 -3.303 -12.592 587 HB1 ALA 71 1HB ALA 71 0.753 -2.328 -11.265 588 HB2 ALA 71 2HB ALA 71 -0.110 -2.677 -9.767 589 HB3 ALA 71 3HB ALA 71 -0.688 -1.404 -10.841 590 H LEU 72 H LEU 72 -1.496 -4.452 -9.260 591 HA LEU 72 HA LEU 72 0.261 -6.685 -9.369 592 HB2 LEU 72 2HB LEU 72 -2.238 -6.056 -7.783 593 HB3 LEU 72 1HB LEU 72 -1.175 -7.415 -7.419 594 HG LEU 72 HG LEU 72 -0.231 -4.540 -7.579 595 HD11 LEU 72 1HD1 LEU 72 -1.258 -4.281 -5.583 596 HD12 LEU 72 2HD1 LEU 72 -0.052 -5.397 -4.939 597 HD13 LEU 72 3HD1 LEU 72 -1.624 -6.002 -5.466 598 HD21 LEU 72 3HD2 LEU 72 1.412 -6.155 -5.946 599 HD22 LEU 72 1HD2 LEU 72 1.799 -5.521 -7.545 600 HD23 LEU 72 2HD2 LEU 72 1.071 -7.119 -7.383 601 H GLU 73 H GLU 73 -3.131 -6.304 -10.273 602 HA GLU 73 HA GLU 73 -3.756 -9.054 -10.656 603 HB2 GLU 73 2HB GLU 73 -5.580 -7.668 -10.411 604 HB3 GLU 73 1HB GLU 73 -4.791 -6.322 -11.197 605 HG2 GLU 73 2HG GLU 73 -5.325 -7.055 -13.317 606 HG3 GLU 73 1HG GLU 73 -5.571 -8.726 -12.811 607 H ASN 74 H ASN 74 -2.831 -6.396 -12.778 608 HA ASN 74 HA ASN 74 -2.853 -7.773 -15.246 609 HB2 ASN 74 2HB ASN 74 -2.067 -5.262 -14.165 610 HB3 ASN 74 1HB ASN 74 -0.683 -5.879 -15.070 611 HD21 ASN 74 1HD2 ASN 74 -4.206 -5.248 -15.406 612 HD22 ASN 74 2HD2 ASN 74 -4.155 -5.002 -17.085 613 H TYR 75 H TYR 75 -0.413 -7.504 -12.679 614 HA TYR 75 HA TYR 75 1.637 -8.967 -14.131 615 HB2 TYR 75 2HB TYR 75 1.499 -7.323 -11.975 616 HB3 TYR 75 1HB TYR 75 1.583 -8.890 -11.174 617 HD1 TYR 75 1HD TYR 75 3.222 -6.697 -13.655 618 HD2 TYR 75 2HD TYR 75 3.619 -10.176 -11.176 619 HE1 TYR 75 1HE TYR 75 5.647 -6.806 -14.199 620 HE2 TYR 75 2HE TYR 75 6.038 -10.290 -11.715 621 HH TYR 75 HH TYR 75 7.432 -9.040 -14.154 622 H GLY 76 H GLY 76 -1.076 -9.826 -12.083 623 HA2 GLY 76 2HA GLY 76 -1.990 -12.098 -12.314 624 HA3 GLY 76 1HA GLY 76 -0.330 -12.665 -12.394 625 H ALA 77 H ALA 77 -0.334 -10.267 -10.129 626 HA ALA 77 HA ALA 77 -0.459 -12.258 -7.919 627 HB1 ALA 77 1HB ALA 77 1.560 -10.844 -8.314 628 HB2 ALA 77 2HB ALA 77 0.847 -10.560 -6.725 629 HB3 ALA 77 3HB ALA 77 0.577 -9.408 -8.033 630 H ARG 78 H ARG 78 -2.302 -12.301 -6.704 631 HA ARG 78 HA ARG 78 -3.952 -9.798 -6.526 632 HB2 ARG 78 2HB ARG 78 -4.515 -12.665 -7.026 633 HB3 ARG 78 1HB ARG 78 -5.635 -11.866 -5.921 634 HG2 ARG 78 2HG ARG 78 -6.437 -10.438 -7.541 635 HG3 ARG 78 1HG ARG 78 -4.908 -10.412 -8.422 636 HD2 ARG 78 2HD ARG 78 -5.732 -11.965 -9.846 637 HD3 ARG 78 1HD ARG 78 -5.905 -13.097 -8.488 638 HE ARG 78 HE ARG 78 -7.993 -11.009 -8.898 639 HH11 ARG 78 1HH2 ARG 78 -7.320 -13.953 -7.505 640 HH12 ARG 78 2HH2 ARG 78 -8.752 -14.757 -8.056 641 HH21 ARG 78 1HH1 ARG 78 -9.700 -12.183 -10.177 642 HH22 ARG 78 2HH1 ARG 78 -10.100 -13.754 -9.569 643 H VAL 79 H VAL 79 -5.138 -9.586 -4.414 644 HA VAL 79 HA VAL 79 -3.402 -10.338 -2.170 645 HB VAL 79 HB VAL 79 -6.021 -8.921 -1.896 646 HG11 VAL 79 1HG1 VAL 79 -4.217 -9.409 -0.075 647 HG12 VAL 79 2HG1 VAL 79 -4.945 -7.804 -0.141 648 HG13 VAL 79 3HG1 VAL 79 -3.342 -8.074 -0.825 649 HG21 VAL 79 3HG2 VAL 79 -4.282 -6.869 -2.497 650 HG22 VAL 79 1HG2 VAL 79 -5.490 -7.515 -3.608 651 HG23 VAL 79 2HG2 VAL 79 -3.825 -8.093 -3.680 652 H GLU 80 H GLU 80 -3.759 -12.268 -1.151 653 HA GLU 80 HA GLU 80 -6.312 -13.684 -1.455 654 HB2 GLU 80 2HB GLU 80 -5.114 -15.456 -0.359 655 HB3 GLU 80 1HB GLU 80 -3.927 -14.646 -1.382 656 HG2 GLU 80 2HG GLU 80 -2.679 -14.508 0.507 657 HG3 GLU 80 1HG GLU 80 -3.761 -13.184 0.940 658 H LYS 81 H LYS 81 -4.978 -11.345 0.663 659 HA LYS 81 HA LYS 81 -7.090 -11.925 2.704 660 HB2 LYS 81 2HB LYS 81 -5.358 -11.321 4.329 661 HB3 LYS 81 1HB LYS 81 -4.775 -12.602 3.266 662 HG2 LYS 81 2HG LYS 81 -3.083 -11.318 2.570 663 HG3 LYS 81 1HG LYS 81 -4.218 -10.072 2.045 664 HD2 LYS 81 2HD LYS 81 -4.286 -9.725 4.753 665 HD3 LYS 81 1HD LYS 81 -2.612 -10.236 4.525 666 HE2 LYS 81 2HE LYS 81 -2.742 -7.797 4.317 667 HE3 LYS 81 1HE LYS 81 -2.401 -8.486 2.717 668 HZ1 LYS 81 3HZ LYS 81 -4.583 -8.237 2.044 669 HZ2 LYS 81 1HZ LYS 81 -4.347 -6.828 2.955 670 HZ3 LYS 81 2HZ LYS 81 -5.183 -8.144 3.631 671 H VAL 82 H VAL 82 -7.856 -9.999 3.820 672 HA VAL 82 HA VAL 82 -7.076 -7.366 2.649 673 HB VAL 82 HB VAL 82 -9.808 -8.663 2.752 674 HG11 VAL 82 1HG1 VAL 82 -10.510 -6.603 3.473 675 HG12 VAL 82 2HG1 VAL 82 -10.336 -6.202 1.765 676 HG13 VAL 82 3HG1 VAL 82 -9.051 -5.791 2.902 677 HG21 VAL 82 3HG2 VAL 82 -7.899 -8.435 0.754 678 HG22 VAL 82 1HG2 VAL 82 -8.988 -7.093 0.412 679 HG23 VAL 82 2HG2 VAL 82 -9.616 -8.739 0.494 680 H GLU 83 H GLU 83 -6.329 -6.378 4.532 681 HA GLU 83 HA GLU 83 -8.134 -6.500 6.929 682 HB2 GLU 83 2HB GLU 83 -5.109 -6.324 6.892 683 HB3 GLU 83 1HB GLU 83 -6.141 -6.638 8.288 684 HG2 GLU 83 2HG GLU 83 -6.803 -8.556 6.285 685 HG3 GLU 83 1HG GLU 83 -5.046 -8.526 6.431 686 H GLU 84 H GLU 84 -9.041 -4.454 7.006 687 HA GLU 84 HA GLU 84 -7.400 -2.098 6.334 688 HB2 GLU 84 2HB GLU 84 -10.350 -2.480 6.924 689 HB3 GLU 84 1HB GLU 84 -9.618 -0.964 6.399 690 HG2 GLU 84 2HG GLU 84 -9.507 -3.554 4.827 691 HG3 GLU 84 1HG GLU 84 -10.639 -2.238 4.511 692 H LEU 85 H LEU 85 -6.391 -1.058 8.013 693 HA LEU 85 HA LEU 85 -7.085 -1.666 10.794 694 HB2 LEU 85 2HB LEU 85 -5.034 -0.099 9.271 695 HB3 LEU 85 1HB LEU 85 -5.238 0.236 10.991 696 HG LEU 85 HG LEU 85 -5.205 -2.468 11.058 697 HD11 LEU 85 1HD1 LEU 85 -2.945 -2.289 9.256 698 HD12 LEU 85 2HD1 LEU 85 -4.434 -1.857 8.418 699 HD13 LEU 85 3HD1 LEU 85 -4.300 -3.418 9.227 700 HD21 LEU 85 3HD2 LEU 85 -2.657 -2.159 11.454 701 HD22 LEU 85 1HD2 LEU 85 -3.765 -1.251 12.484 702 HD23 LEU 85 2HD2 LEU 85 -2.959 -0.451 11.134 703 H GLY 86 H GLY 86 -8.211 0.552 8.482 704 HA2 GLY 86 2HA GLY 86 -9.908 2.184 8.781 705 HA3 GLY 86 1HA GLY 86 -9.748 1.985 10.526 706 H LEU 87 H LEU 87 -8.912 3.941 7.855 707 HA LEU 87 HA LEU 87 -6.514 5.175 8.548 708 HB2 LEU 87 2HB LEU 87 -7.484 7.134 7.364 709 HB3 LEU 87 1HB LEU 87 -7.839 5.624 6.526 710 HG LEU 87 HG LEU 87 -9.878 6.186 8.506 711 HD11 LEU 87 1HD1 LEU 87 -9.657 8.242 6.298 712 HD12 LEU 87 2HD1 LEU 87 -9.060 8.547 7.929 713 HD13 LEU 87 3HD1 LEU 87 -10.774 8.230 7.662 714 HD21 LEU 87 3HD2 LEU 87 -10.426 4.692 6.776 715 HD22 LEU 87 1HD2 LEU 87 -9.695 5.712 5.536 716 HD23 LEU 87 2HD2 LEU 87 -11.231 6.176 6.266 717 H ARG 88 H ARG 88 -6.039 7.070 9.841 718 HA ARG 88 HA ARG 88 -7.855 7.394 12.149 719 HB2 ARG 88 2HB ARG 88 -5.253 6.722 12.055 720 HB3 ARG 88 1HB ARG 88 -5.087 8.478 12.115 721 HG2 ARG 88 2HG ARG 88 -6.969 7.138 14.027 722 HG3 ARG 88 1HG ARG 88 -5.236 7.080 14.355 723 HD2 ARG 88 2HD ARG 88 -5.149 9.297 14.894 724 HD3 ARG 88 1HD ARG 88 -6.242 9.752 13.573 725 HE ARG 88 HE ARG 88 -8.134 9.014 14.985 726 HH11 ARG 88 1HH1 ARG 88 -5.494 10.471 16.415 727 HH12 ARG 88 2HH1 ARG 88 -5.894 10.027 18.040 728 HH21 ARG 88 1HH2 ARG 88 -8.465 7.897 17.103 729 HH22 ARG 88 2HH2 ARG 88 -7.577 8.568 18.430 730 H ARG 89 H ARG 89 -8.143 9.610 12.999 731 HA ARG 89 HA ARG 89 -8.063 11.652 10.819 732 HB2 ARG 89 2HB ARG 89 -9.896 12.677 12.037 733 HB3 ARG 89 1HB ARG 89 -10.241 10.955 11.881 734 HG2 ARG 89 2HG ARG 89 -9.059 10.736 14.186 735 HG3 ARG 89 1HG ARG 89 -9.317 12.477 14.311 736 HD2 ARG 89 2HD ARG 89 -11.428 10.319 14.004 737 HD3 ARG 89 1HD ARG 89 -11.247 11.484 15.330 738 HE ARG 89 HE ARG 89 -11.589 13.249 13.431 739 HH11 ARG 89 1HH1 ARG 89 -13.896 11.392 14.645 740 HH12 ARG 89 2HH1 ARG 89 -14.868 11.228 13.220 741 HH21 ARG 89 1HH2 ARG 89 -12.436 12.486 11.094 742 HH22 ARG 89 2HH2 ARG 89 -14.041 11.847 11.211 743 H LEU 90 H LEU 90 -6.206 12.836 11.027 744 HA LEU 90 HA LEU 90 -4.686 13.181 13.413 745 HB2 LEU 90 2HB LEU 90 -3.565 14.919 12.055 746 HB3 LEU 90 1HB LEU 90 -3.883 13.468 11.101 747 HG LEU 90 HG LEU 90 -6.204 14.945 10.778 748 HD11 LEU 90 1HD1 LEU 90 -4.247 16.980 10.014 749 HD12 LEU 90 2HD1 LEU 90 -4.330 16.753 11.761 750 HD13 LEU 90 3HD1 LEU 90 -5.785 17.165 10.855 751 HD21 LEU 90 3HD2 LEU 90 -5.438 15.201 8.493 752 HD22 LEU 90 1HD2 LEU 90 -4.838 13.654 9.091 753 HD23 LEU 90 2HD2 LEU 90 -3.755 15.042 8.992 754 H ALA 91 H ALA 91 -5.048 14.489 15.151 755 HA ALA 91 HA ALA 91 -7.315 16.388 15.091 756 HB1 ALA 91 1HB ALA 91 -5.422 15.725 17.361 757 HB2 ALA 91 2HB ALA 91 -6.756 14.663 16.911 758 HB3 ALA 91 3HB ALA 91 -7.086 16.301 17.473 759 H TYR 92 H TYR 92 -3.830 16.480 15.957 760 HA TYR 92 HA TYR 92 -3.754 19.374 16.155 761 HB2 TYR 92 2HB TYR 92 -1.604 17.254 15.823 762 HB3 TYR 92 1HB TYR 92 -1.302 18.929 16.292 763 HD1 TYR 92 2HD TYR 92 -2.045 19.786 18.474 764 HD2 TYR 92 1HD TYR 92 -2.632 15.680 17.360 765 HE1 TYR 92 2HE TYR 92 -2.525 19.213 20.839 766 HE2 TYR 92 1HE TYR 92 -3.111 15.106 19.724 767 HH TYR 92 HH TYR 92 -4.066 16.707 21.846 768 HA PRO 93 HA PRO 93 -3.434 20.041 11.768 769 HB2 PRO 93 2HB PRO 93 -2.978 22.735 11.887 770 HB3 PRO 93 1HB PRO 93 -4.585 22.017 12.128 771 HG2 PRO 93 2HG PRO 93 -2.646 23.035 14.136 772 HG3 PRO 93 1HG PRO 93 -4.414 23.123 14.124 773 HD2 PRO 93 2HD PRO 93 -2.971 21.333 15.622 774 HD3 PRO 93 1HD PRO 93 -4.649 21.072 15.095 775 H ILE 94 H ILE 94 -1.695 20.535 10.267 776 HA ILE 94 HA ILE 94 0.982 20.133 11.370 777 HB ILE 94 HB ILE 94 0.060 19.170 9.232 778 HG12 ILE 94 2HG1 ILE 94 2.119 19.522 7.937 779 HG13 ILE 94 1HG1 ILE 94 2.505 20.941 8.911 780 HG21 ILE 94 1HG2 ILE 94 -0.541 20.486 7.447 781 HG22 ILE 94 2HG2 ILE 94 0.625 21.747 7.849 782 HG23 ILE 94 3HG2 ILE 94 -0.895 21.636 8.737 783 HD11 ILE 94 3HD1 ILE 94 3.252 19.689 10.656 784 HD12 ILE 94 1HD1 ILE 94 3.381 18.399 9.460 785 HD13 ILE 94 2HD1 ILE 94 1.951 18.513 10.485 786 H ALA 95 H ALA 95 2.060 21.853 12.261 787 HA ALA 95 HA ALA 95 2.081 24.437 10.758 788 HB1 ALA 95 1HB ALA 95 0.524 24.997 12.382 789 HB2 ALA 95 2HB ALA 95 2.006 25.361 13.267 790 HB3 ALA 95 3HB ALA 95 1.167 23.834 13.542 791 H LYS 96 H LYS 96 4.272 23.469 10.196 792 HA LYS 96 HA LYS 96 6.266 24.278 12.256 793 HB2 LYS 96 2HB LYS 96 5.501 21.607 11.623 794 HB3 LYS 96 1HB LYS 96 7.122 21.856 10.971 795 HG2 LYS 96 2HG LYS 96 7.791 22.808 13.208 796 HG3 LYS 96 1HG LYS 96 6.218 22.306 13.827 797 HD2 LYS 96 2HD LYS 96 7.008 20.226 14.153 798 HD3 LYS 96 1HD LYS 96 7.354 20.090 12.429 799 HE2 LYS 96 2HE LYS 96 9.587 20.578 12.704 800 HE3 LYS 96 1HE LYS 96 9.281 21.689 14.053 801 HZ1 LYS 96 3HZ LYS 96 10.212 19.236 14.420 802 HZ2 LYS 96 1HZ LYS 96 8.550 18.899 14.459 803 HZ3 LYS 96 2HZ LYS 96 9.215 20.016 15.553 Start of MODEL 3 1 H1 MET 1 1HT MET 1 -0.322 11.988 9.162 2 H2 MET 1 2HT MET 1 0.362 11.808 10.707 3 H3 MET 1 3HT MET 1 -0.774 10.679 10.141 4 HA MET 1 HA MET 1 0.831 10.099 8.320 5 HB2 MET 1 2HB MET 1 1.964 12.328 8.587 6 HB3 MET 1 1HB MET 1 2.637 11.752 10.112 7 HG2 MET 1 2HG MET 1 3.026 9.960 7.784 8 HG3 MET 1 1HG MET 1 3.911 11.485 7.730 9 HE1 MET 1 2HE MET 1 6.458 9.551 8.116 10 HE2 MET 1 3HE MET 1 4.937 8.895 7.518 11 HE3 MET 1 1HE MET 1 5.767 8.118 8.873 12 H ASP 2 H ASP 2 2.311 10.588 11.534 13 HA ASP 2 HA ASP 2 2.958 7.764 11.778 14 HB2 ASP 2 2HB ASP 2 4.415 9.486 12.657 15 HB3 ASP 2 1HB ASP 2 3.109 10.153 13.636 16 HA PRO 3 HA PRO 3 -0.483 7.904 15.065 17 HB2 PRO 3 2HB PRO 3 -2.293 9.947 14.973 18 HB3 PRO 3 1HB PRO 3 -0.781 10.037 15.897 19 HG2 PRO 3 2HG PRO 3 -1.490 11.282 13.314 20 HG3 PRO 3 1HG PRO 3 -0.392 11.846 14.579 21 HD2 PRO 3 2HD PRO 3 0.351 10.633 12.179 22 HD3 PRO 3 1HD PRO 3 1.391 10.855 13.603 23 H GLN 4 H GLN 4 -0.681 8.094 11.781 24 HA GLN 4 HA GLN 4 -2.925 6.318 11.560 25 HB2 GLN 4 2HB GLN 4 -4.521 7.996 10.559 26 HB3 GLN 4 1HB GLN 4 -4.192 8.269 12.268 27 HG2 GLN 4 2HG GLN 4 -2.695 10.065 11.798 28 HG3 GLN 4 1HG GLN 4 -2.619 9.647 10.085 29 HE21 GLN 4 1HE2 GLN 4 -5.233 9.396 9.308 30 HE22 GLN 4 2HE2 GLN 4 -6.100 10.826 9.598 31 H GLY 5 H GLY 5 -3.880 7.271 8.996 32 HA2 GLY 5 2HA GLY 5 -3.310 7.220 6.727 33 HA3 GLY 5 1HA GLY 5 -1.750 7.897 7.193 34 H TYR 6 H TYR 6 -0.113 6.351 7.999 35 HA TYR 6 HA TYR 6 0.194 4.085 6.282 36 HB2 TYR 6 2HB TYR 6 2.109 5.173 7.145 37 HB3 TYR 6 1HB TYR 6 1.503 5.120 8.796 38 HD1 TYR 6 1HD TYR 6 1.227 2.230 6.526 39 HD2 TYR 6 2HD TYR 6 3.497 4.040 9.692 40 HE1 TYR 6 1HE TYR 6 2.414 0.085 6.904 41 HE2 TYR 6 2HE TYR 6 4.684 1.897 10.068 42 HH TYR 6 HH TYR 6 4.274 -0.523 9.662 43 H PHE 7 H PHE 7 -1.513 2.543 6.520 44 HA PHE 7 HA PHE 7 -1.241 0.745 8.772 45 HB2 PHE 7 2HB PHE 7 -3.234 2.883 8.695 46 HB3 PHE 7 1HB PHE 7 -3.934 1.295 9.010 47 HD1 PHE 7 1HD PHE 7 -2.680 -0.176 10.789 48 HD2 PHE 7 2HD PHE 7 -2.277 4.088 10.464 49 HE1 PHE 7 1HE PHE 7 -1.849 -0.075 13.125 50 HE2 PHE 7 2HE PHE 7 -1.449 4.187 12.799 51 HZ PHE 7 HZ PHE 7 -1.234 2.107 14.129 52 H LEU 8 H LEU 8 -1.338 0.854 5.732 53 HA LEU 8 HA LEU 8 -3.658 -0.845 5.136 54 HB2 LEU 8 2HB LEU 8 -1.668 0.808 3.663 55 HB3 LEU 8 1HB LEU 8 -2.374 -0.557 2.796 56 HG LEU 8 HG LEU 8 -4.645 0.286 3.401 57 HD11 LEU 8 1HD1 LEU 8 -3.043 2.626 4.478 58 HD12 LEU 8 2HD1 LEU 8 -4.055 1.530 5.420 59 HD13 LEU 8 3HD1 LEU 8 -4.793 2.627 4.253 60 HD21 LEU 8 3HD2 LEU 8 -4.269 2.551 2.030 61 HD22 LEU 8 1HD2 LEU 8 -4.133 0.973 1.254 62 HD23 LEU 8 2HD2 LEU 8 -2.681 1.833 1.764 63 H TRP 9 H TRP 9 -3.444 -3.068 4.884 64 HA TRP 9 HA TRP 9 -0.652 -4.168 4.705 65 HB2 TRP 9 2HB TRP 9 -2.466 -4.396 6.772 66 HB3 TRP 9 1HB TRP 9 -2.770 -5.870 5.851 67 HD1 TRP 9 HD TRP 9 0.171 -6.418 4.826 68 HE1 TRP 9 1HE TRP 9 1.970 -7.217 6.493 69 HE3 TRP 9 3HE TRP 9 -1.918 -4.832 9.209 70 HZ2 TRP 9 2HZ TRP 9 2.457 -7.187 9.311 71 HZ3 TRP 9 3HZ TRP 9 -0.768 -5.231 11.367 72 HH2 TRP 9 HH TRP 9 1.416 -6.405 11.423 73 H TYR 10 H TYR 10 -0.385 -5.101 2.718 74 HA TYR 10 HA TYR 10 -2.724 -6.523 1.488 75 HB2 TYR 10 2HB TYR 10 -0.679 -4.610 0.369 76 HB3 TYR 10 1HB TYR 10 -1.537 -5.731 -0.687 77 HD1 TYR 10 1HD TYR 10 -4.190 -5.846 -0.161 78 HD2 TYR 10 2HD TYR 10 -1.617 -2.503 0.640 79 HE1 TYR 10 1HE TYR 10 -6.154 -4.330 -0.177 80 HE2 TYR 10 2HE TYR 10 -3.580 -0.986 0.627 81 HH TYR 10 HH TYR 10 -6.842 -2.207 0.541 82 H GLN 11 H GLN 11 -2.234 -8.687 1.347 83 HA GLN 11 HA GLN 11 0.598 -9.497 1.058 84 HB2 GLN 11 2HB GLN 11 -1.003 -10.226 2.981 85 HB3 GLN 11 1HB GLN 11 -1.722 -11.280 1.763 86 HG2 GLN 11 2HG GLN 11 0.543 -12.239 1.319 87 HG3 GLN 11 1HG GLN 11 1.178 -11.264 2.645 88 HE21 GLN 11 1HE2 GLN 11 1.432 -12.588 4.448 89 HE22 GLN 11 2HE2 GLN 11 0.319 -13.762 4.961 90 H VAL 12 H VAL 12 1.063 -11.202 -0.551 91 HA VAL 12 HA VAL 12 -1.076 -11.468 -2.638 92 HB VAL 12 HB VAL 12 0.586 -11.062 -4.321 93 HG11 VAL 12 1HG1 VAL 12 1.170 -9.154 -2.051 94 HG12 VAL 12 2HG1 VAL 12 -0.292 -9.095 -3.036 95 HG13 VAL 12 3HG1 VAL 12 1.283 -8.820 -3.780 96 HG21 VAL 12 3HG2 VAL 12 2.984 -10.658 -3.647 97 HG22 VAL 12 1HG2 VAL 12 2.444 -12.321 -3.411 98 HG23 VAL 12 2HG2 VAL 12 2.567 -11.231 -2.030 99 H GLU 13 H GLU 13 -0.175 -13.224 -4.297 100 HA GLU 13 HA GLU 13 0.962 -15.514 -2.741 101 HB2 GLU 13 2HB GLU 13 -0.761 -16.856 -4.162 102 HB3 GLU 13 1HB GLU 13 -1.355 -15.963 -2.765 103 HG2 GLU 13 2HG GLU 13 -2.191 -14.195 -4.127 104 HG3 GLU 13 1HG GLU 13 -1.295 -14.759 -5.539 105 H MET 14 H MET 14 2.537 -13.967 -4.375 106 HA MET 14 HA MET 14 2.917 -15.695 -6.801 107 HB2 MET 14 2HB MET 14 3.520 -12.735 -6.491 108 HB3 MET 14 1HB MET 14 3.549 -13.667 -7.988 109 HG2 MET 14 2HG MET 14 1.129 -13.007 -6.295 110 HG3 MET 14 1HG MET 14 1.469 -12.453 -7.935 111 HE1 MET 14 3HE MET 14 2.444 -14.100 -9.498 112 HE2 MET 14 1HE MET 14 0.854 -14.277 -10.254 113 HE3 MET 14 2HE MET 14 1.805 -15.705 -9.846 114 HA PRO 15 HA PRO 15 6.967 -16.367 -5.235 115 HB2 PRO 15 2HB PRO 15 8.374 -16.633 -7.560 116 HB3 PRO 15 1HB PRO 15 7.337 -17.880 -6.899 117 HG2 PRO 15 2HG PRO 15 6.833 -15.976 -9.109 118 HG3 PRO 15 1HG PRO 15 6.291 -17.652 -8.929 119 HD2 PRO 15 2HD PRO 15 4.684 -15.474 -8.506 120 HD3 PRO 15 1HD PRO 15 4.429 -17.059 -7.744 121 H GLU 16 H GLU 16 9.341 -15.807 -6.189 122 HA GLU 16 HA GLU 16 9.902 -13.115 -5.531 123 HB2 GLU 16 2HB GLU 16 11.360 -15.276 -5.793 124 HB3 GLU 16 1HB GLU 16 11.504 -14.767 -7.474 125 HG2 GLU 16 2HG GLU 16 12.340 -12.548 -6.695 126 HG3 GLU 16 1HG GLU 16 12.290 -13.144 -5.035 127 H ASP 17 H ASP 17 8.917 -14.705 -8.455 128 HA ASP 17 HA ASP 17 9.661 -12.814 -10.425 129 HB2 ASP 17 2HB ASP 17 8.607 -15.175 -10.559 130 HB3 ASP 17 1HB ASP 17 7.059 -14.344 -10.392 131 H ARG 18 H ARG 18 7.376 -12.549 -7.879 132 HA ARG 18 HA ARG 18 5.563 -10.630 -9.099 133 HB2 ARG 18 2HB ARG 18 4.691 -10.521 -6.842 134 HB3 ARG 18 1HB ARG 18 5.159 -12.195 -7.147 135 HG2 ARG 18 2HG ARG 18 6.407 -12.050 -5.268 136 HG3 ARG 18 1HG ARG 18 7.500 -11.037 -6.207 137 HD2 ARG 18 2HD ARG 18 6.175 -9.026 -5.528 138 HD3 ARG 18 1HD ARG 18 5.186 -10.070 -4.491 139 HE ARG 18 HE ARG 18 6.971 -9.884 -2.958 140 HH11 ARG 18 1HH1 ARG 18 8.648 -7.967 -4.383 141 HH12 ARG 18 2HH1 ARG 18 10.082 -8.871 -4.740 142 HH21 ARG 18 1HH2 ARG 18 8.594 -11.956 -4.204 143 HH22 ARG 18 2HH2 ARG 18 10.051 -11.127 -4.638 144 H VAL 19 H VAL 19 8.714 -10.460 -7.732 145 HA VAL 19 HA VAL 19 8.878 -7.942 -6.526 146 HB VAL 19 HB VAL 19 10.702 -9.584 -6.755 147 HG11 VAL 19 1HG1 VAL 19 10.153 -10.211 -9.115 148 HG12 VAL 19 2HG1 VAL 19 11.869 -9.904 -8.848 149 HG13 VAL 19 3HG1 VAL 19 10.869 -8.686 -9.637 150 HG21 VAL 19 3HG2 VAL 19 11.437 -7.369 -6.218 151 HG22 VAL 19 1HG2 VAL 19 11.215 -6.824 -7.880 152 HG23 VAL 19 2HG2 VAL 19 12.518 -7.945 -7.486 153 H ASN 20 H ASN 20 8.979 -8.737 -9.974 154 HA ASN 20 HA ASN 20 9.317 -6.059 -10.953 155 HB2 ASN 20 2HB ASN 20 8.894 -8.747 -11.903 156 HB3 ASN 20 1HB ASN 20 7.827 -7.653 -12.783 157 HD21 ASN 20 1HD2 ASN 20 11.095 -8.736 -12.490 158 HD22 ASN 20 2HD2 ASN 20 11.793 -7.611 -13.552 159 H ASP 21 H ASP 21 6.528 -7.933 -9.920 160 HA ASP 21 HA ASP 21 4.458 -6.327 -11.034 161 HB2 ASP 21 2HB ASP 21 4.421 -8.676 -10.002 162 HB3 ASP 21 1HB ASP 21 4.396 -7.870 -8.436 163 H LEU 22 H LEU 22 5.816 -6.404 -7.721 164 HA LEU 22 HA LEU 22 4.372 -4.169 -6.705 165 HB2 LEU 22 2HB LEU 22 6.962 -5.573 -6.106 166 HB3 LEU 22 1HB LEU 22 6.568 -4.095 -5.229 167 HG LEU 22 HG LEU 22 4.620 -5.038 -4.274 168 HD11 LEU 22 1HD1 LEU 22 3.651 -6.010 -6.291 169 HD12 LEU 22 2HD1 LEU 22 3.712 -7.245 -5.034 170 HD13 LEU 22 3HD1 LEU 22 4.905 -7.249 -6.334 171 HD21 LEU 22 3HD2 LEU 22 5.405 -7.252 -3.356 172 HD22 LEU 22 1HD2 LEU 22 6.599 -5.960 -3.225 173 HD23 LEU 22 2HD2 LEU 22 6.755 -7.181 -4.489 174 H ALA 23 H ALA 23 7.416 -4.378 -8.499 175 HA ALA 23 HA ALA 23 8.310 -1.715 -8.282 176 HB1 ALA 23 1HB ALA 23 9.726 -2.326 -10.040 177 HB2 ALA 23 2HB ALA 23 8.462 -3.240 -10.864 178 HB3 ALA 23 3HB ALA 23 9.244 -3.909 -9.431 179 H ARG 24 H ARG 24 6.229 -3.162 -10.816 180 HA ARG 24 HA ARG 24 5.620 -0.727 -12.160 181 HB2 ARG 24 2HB ARG 24 5.053 -3.494 -12.313 182 HB3 ARG 24 1HB ARG 24 3.489 -2.682 -12.245 183 HG2 ARG 24 2HG ARG 24 3.728 -1.816 -14.320 184 HG3 ARG 24 1HG ARG 24 5.395 -1.328 -14.010 185 HD2 ARG 24 2HD ARG 24 5.606 -4.085 -14.112 186 HD3 ARG 24 1HD ARG 24 4.389 -3.738 -15.357 187 HE ARG 24 HE ARG 24 6.549 -1.838 -15.522 188 HH11 ARG 24 1HH1 ARG 24 6.949 -5.125 -15.448 189 HH12 ARG 24 2HH1 ARG 24 7.494 -5.294 -17.083 190 HH21 ARG 24 1HH2 ARG 24 6.708 -2.033 -17.963 191 HH22 ARG 24 2HH2 ARG 24 7.357 -3.544 -18.508 192 H GLU 25 H GLU 25 3.871 -2.551 -9.647 193 HA GLU 25 HA GLU 25 1.602 -0.913 -9.367 194 HB2 GLU 25 2HB GLU 25 2.149 -3.175 -8.349 195 HB3 GLU 25 1HB GLU 25 3.140 -2.321 -7.169 196 HG2 GLU 25 2HG GLU 25 0.539 -1.073 -7.381 197 HG3 GLU 25 1HG GLU 25 0.366 -2.791 -7.020 198 H LEU 26 H LEU 26 4.761 -0.716 -7.738 199 HA LEU 26 HA LEU 26 4.139 1.531 -6.066 200 HB2 LEU 26 2HB LEU 26 6.629 0.203 -7.123 201 HB3 LEU 26 1HB LEU 26 6.738 1.633 -6.095 202 HG LEU 26 HG LEU 26 4.874 -0.411 -5.095 203 HD11 LEU 26 1HD1 LEU 26 7.225 -1.407 -6.178 204 HD12 LEU 26 2HD1 LEU 26 6.259 -2.193 -4.929 205 HD13 LEU 26 3HD1 LEU 26 7.631 -1.182 -4.477 206 HD21 LEU 26 3HD2 LEU 26 5.338 1.280 -3.570 207 HD22 LEU 26 1HD2 LEU 26 7.018 1.425 -4.086 208 HD23 LEU 26 2HD2 LEU 26 6.520 0.067 -3.075 209 H ARG 27 H ARG 27 5.630 1.328 -9.317 210 HA ARG 27 HA ARG 27 6.341 4.085 -9.519 211 HB2 ARG 27 2HB ARG 27 6.915 3.489 -11.676 212 HB3 ARG 27 1HB ARG 27 6.760 1.877 -10.984 213 HG2 ARG 27 2HG ARG 27 4.263 2.067 -11.731 214 HG3 ARG 27 1HG ARG 27 4.848 3.354 -12.783 215 HD2 ARG 27 2HD ARG 27 6.449 0.852 -12.806 216 HD3 ARG 27 1HD ARG 27 4.833 0.751 -13.532 217 HE ARG 27 HE ARG 27 6.849 2.822 -14.323 218 HH11 ARG 27 1HH2 ARG 27 5.964 0.100 -15.721 219 HH12 ARG 27 2HH2 ARG 27 5.069 0.766 -17.047 220 HH21 ARG 27 1HH1 ARG 27 4.931 3.956 -15.696 221 HH22 ARG 27 2HH1 ARG 27 4.484 2.949 -17.031 222 H ILE 28 H ILE 28 3.279 2.414 -10.240 223 HA ILE 28 HA ILE 28 1.978 4.646 -11.455 224 HB ILE 28 HB ILE 28 0.959 2.198 -9.988 225 HG12 ILE 28 2HG1 ILE 28 1.590 2.803 -12.889 226 HG13 ILE 28 1HG1 ILE 28 2.305 1.552 -11.874 227 HG21 ILE 28 1HG2 ILE 28 -0.477 3.984 -11.970 228 HG22 ILE 28 2HG2 ILE 28 -0.724 4.041 -10.226 229 HG23 ILE 28 3HG2 ILE 28 -1.148 2.587 -11.128 230 HD11 ILE 28 3HD1 ILE 28 0.553 0.697 -13.472 231 HD12 ILE 28 1HD1 ILE 28 -0.637 1.655 -12.591 232 HD13 ILE 28 2HD1 ILE 28 0.215 0.341 -11.778 233 H ARG 29 H ARG 29 1.997 3.374 -8.120 234 HA ARG 29 HA ARG 29 0.295 5.548 -7.123 235 HB2 ARG 29 2HB ARG 29 0.721 4.407 -4.966 236 HB3 ARG 29 1HB ARG 29 0.276 3.244 -6.217 237 HG2 ARG 29 2HG ARG 29 2.314 2.246 -6.177 238 HG3 ARG 29 1HG ARG 29 3.163 3.789 -6.071 239 HD2 ARG 29 2HD ARG 29 3.627 2.963 -3.949 240 HD3 ARG 29 1HD ARG 29 2.077 3.755 -3.605 241 HE ARG 29 HE ARG 29 2.444 0.836 -4.073 242 HH11 ARG 29 1HH2 ARG 29 -0.160 1.674 -5.173 243 HH12 ARG 29 2HH2 ARG 29 -1.214 1.571 -3.803 244 HH21 ARG 29 1HH1 ARG 29 1.369 1.512 -1.489 245 HH22 ARG 29 2HH1 ARG 29 -0.348 1.478 -1.715 246 H ASP 30 H ASP 30 2.001 7.164 -8.119 247 HA ASP 30 HA ASP 30 4.526 7.514 -6.728 248 HB2 ASP 30 2HB ASP 30 4.503 9.657 -8.013 249 HB3 ASP 30 1HB ASP 30 4.109 8.267 -9.026 250 H ASN 31 H ASN 31 1.239 8.605 -6.208 251 HA ASN 31 HA ASN 31 1.663 10.883 -4.571 252 HB2 ASN 31 2HB ASN 31 -0.517 10.384 -5.367 253 HB3 ASN 31 1HB ASN 31 -0.447 8.730 -4.756 254 HD21 ASN 31 1HD2 ASN 31 -1.303 8.372 -2.689 255 HD22 ASN 31 2HD2 ASN 31 -1.732 9.601 -1.600 256 H VAL 32 H VAL 32 2.422 7.592 -3.957 257 HA VAL 32 HA VAL 32 2.142 7.659 -1.054 258 HB VAL 32 HB VAL 32 2.009 5.663 -2.597 259 HG11 VAL 32 1HG1 VAL 32 5.017 5.720 -2.569 260 HG12 VAL 32 2HG1 VAL 32 4.131 6.559 -3.843 261 HG13 VAL 32 3HG1 VAL 32 3.938 4.817 -3.635 262 HG21 VAL 32 3HG2 VAL 32 3.000 4.195 -1.009 263 HG22 VAL 32 1HG2 VAL 32 2.547 5.628 -0.088 264 HG23 VAL 32 2HG2 VAL 32 4.226 5.383 -0.566 265 H ARG 33 H ARG 33 3.767 8.074 0.453 266 HA ARG 33 HA ARG 33 6.136 9.538 -0.452 267 HB2 ARG 33 2HB ARG 33 4.555 9.115 1.948 268 HB3 ARG 33 1HB ARG 33 6.280 9.012 2.305 269 HG2 ARG 33 2HG ARG 33 5.888 11.196 0.506 270 HG3 ARG 33 1HG ARG 33 4.719 11.355 1.817 271 HD2 ARG 33 2HD ARG 33 6.422 11.401 3.480 272 HD3 ARG 33 1HD ARG 33 7.645 10.779 2.353 273 HE ARG 33 HE ARG 33 6.368 13.320 1.568 274 HH11 ARG 33 1HH2 ARG 33 9.214 11.605 1.682 275 HH12 ARG 33 2HH2 ARG 33 10.227 12.943 2.110 276 HH21 ARG 33 1HH1 ARG 33 7.579 15.098 2.707 277 HH22 ARG 33 2HH1 ARG 33 9.302 14.920 2.689 278 H ARG 34 H ARG 34 5.593 6.434 1.319 279 HA ARG 34 HA ARG 34 8.150 5.434 0.194 280 HB2 ARG 34 2HB ARG 34 8.204 6.769 2.553 281 HB3 ARG 34 1HB ARG 34 7.872 5.136 3.136 282 HG2 ARG 34 2HG ARG 34 9.795 4.378 1.610 283 HG3 ARG 34 1HG ARG 34 10.219 6.086 1.487 284 HD2 ARG 34 2HD ARG 34 10.849 6.229 3.726 285 HD3 ARG 34 1HD ARG 34 9.790 4.890 4.213 286 HE ARG 34 HE ARG 34 11.413 3.477 2.711 287 HH11 ARG 34 1HH2 ARG 34 12.945 6.310 2.858 288 HH12 ARG 34 2HH2 ARG 34 14.278 5.812 3.845 289 HH21 ARG 34 1HH1 ARG 34 12.834 2.788 4.734 290 HH22 ARG 34 2HH1 ARG 34 14.215 3.819 4.908 291 H VAL 35 H VAL 35 7.757 3.361 -0.428 292 HA VAL 35 HA VAL 35 5.617 1.801 0.969 293 HB VAL 35 HB VAL 35 6.907 1.331 -1.732 294 HG11 VAL 35 1HG1 VAL 35 4.281 0.462 -0.489 295 HG12 VAL 35 2HG1 VAL 35 5.663 -0.572 -0.840 296 HG13 VAL 35 3HG1 VAL 35 4.746 0.151 -2.160 297 HG21 VAL 35 3HG2 VAL 35 5.078 3.430 -0.869 298 HG22 VAL 35 1HG2 VAL 35 4.358 2.421 -2.124 299 HG23 VAL 35 2HG2 VAL 35 5.897 3.233 -2.418 300 H MET 36 H MET 36 6.223 -0.095 2.013 301 HA MET 36 HA MET 36 8.992 -1.073 1.597 302 HB2 MET 36 2HB MET 36 7.494 -0.225 3.990 303 HB3 MET 36 1HB MET 36 8.383 -1.737 4.182 304 HG2 MET 36 2HG MET 36 10.158 -0.053 2.825 305 HG3 MET 36 1HG MET 36 9.399 0.987 4.032 306 HE1 MET 36 3HE MET 36 8.902 0.122 6.434 307 HE2 MET 36 1HE MET 36 9.814 -1.136 7.280 308 HE3 MET 36 2HE MET 36 8.612 -1.577 6.070 309 H VAL 37 H VAL 37 8.853 -3.084 0.666 310 HA VAL 37 HA VAL 37 6.564 -4.850 1.469 311 HB VAL 37 HB VAL 37 8.263 -4.796 -1.045 312 HG11 VAL 37 1HG1 VAL 37 6.673 -6.846 0.036 313 HG12 VAL 37 2HG1 VAL 37 7.267 -6.736 -1.622 314 HG13 VAL 37 3HG1 VAL 37 5.674 -6.099 -1.211 315 HG21 VAL 37 3HG2 VAL 37 6.316 -2.994 -0.283 316 HG22 VAL 37 1HG2 VAL 37 5.391 -4.178 -1.208 317 HG23 VAL 37 2HG2 VAL 37 6.761 -3.353 -1.951 318 H VAL 38 H VAL 38 7.095 -6.758 2.476 319 HA VAL 38 HA VAL 38 9.987 -7.552 2.529 320 HB VAL 38 HB VAL 38 9.158 -8.727 4.680 321 HG11 VAL 38 1HG1 VAL 38 10.051 -6.111 4.147 322 HG12 VAL 38 2HG1 VAL 38 10.113 -6.960 5.692 323 HG13 VAL 38 3HG1 VAL 38 8.732 -5.933 5.304 324 HG21 VAL 38 3HG2 VAL 38 6.691 -8.118 3.748 325 HG22 VAL 38 1HG2 VAL 38 6.982 -6.707 4.766 326 HG23 VAL 38 2HG2 VAL 38 7.041 -8.324 5.465 327 H ALA 39 H ALA 39 10.477 -9.523 1.642 328 HA ALA 39 HA ALA 39 8.391 -11.134 0.400 329 HB1 ALA 39 1HB ALA 39 10.525 -12.593 0.002 330 HB2 ALA 39 2HB ALA 39 11.383 -11.211 0.686 331 HB3 ALA 39 3HB ALA 39 10.418 -11.014 -0.777 332 H SER 40 H SER 40 7.910 -13.375 0.948 333 HA SER 40 HA SER 40 7.849 -13.909 3.808 334 HB2 SER 40 2HB SER 40 6.802 -14.975 1.296 335 HB3 SER 40 1HB SER 40 7.260 -16.257 2.413 336 HG SER 40 HG SER 40 5.833 -15.516 3.867 337 H THR 41 H THR 41 8.777 -16.009 4.695 338 HA THR 41 HA THR 41 11.608 -16.209 3.949 339 HB THR 41 HB THR 41 10.551 -16.190 6.288 340 HG1 THR 41 1HG THR 41 12.202 -17.402 7.021 341 HG21 THR 41 3HG2 THR 41 9.001 -18.198 5.291 342 HG22 THR 41 1HG2 THR 41 9.287 -17.939 7.012 343 HG23 THR 41 2HG2 THR 41 10.247 -19.125 6.126 344 H THR 42 H THR 42 8.910 -17.595 2.616 345 HA THR 42 HA THR 42 10.475 -19.779 1.450 346 HB THR 42 HB THR 42 8.452 -20.109 3.623 347 HG1 THR 42 1HG THR 42 10.616 -20.474 4.035 348 HG21 THR 42 3HG2 THR 42 7.927 -22.393 2.902 349 HG22 THR 42 1HG2 THR 42 8.886 -22.167 1.441 350 HG23 THR 42 2HG2 THR 42 7.409 -21.237 1.676 351 HA PRO 43 HA PRO 43 6.185 -19.772 -0.636 352 HB2 PRO 43 2HB PRO 43 4.164 -18.318 0.502 353 HB3 PRO 43 1HB PRO 43 4.494 -20.012 0.919 354 HG2 PRO 43 2HG PRO 43 5.253 -17.523 2.373 355 HG3 PRO 43 1HG PRO 43 4.675 -19.071 3.012 356 HD2 PRO 43 2HD PRO 43 7.286 -18.345 3.044 357 HD3 PRO 43 1HD PRO 43 6.752 -20.035 2.921 358 H GLY 44 H GLY 44 4.564 -17.827 -1.537 359 HA2 GLY 44 2HA GLY 44 6.380 -15.581 -2.103 360 HA3 GLY 44 1HA GLY 44 5.116 -16.129 -3.193 361 H ARG 45 H ARG 45 4.512 -15.855 0.242 362 HA ARG 45 HA ARG 45 2.479 -13.760 -0.321 363 HB2 ARG 45 2HB ARG 45 3.018 -15.878 1.680 364 HB3 ARG 45 1HB ARG 45 2.310 -14.403 2.341 365 HG2 ARG 45 2HG ARG 45 0.317 -14.744 1.303 366 HG3 ARG 45 1HG ARG 45 1.081 -15.333 -0.173 367 HD2 ARG 45 2HD ARG 45 1.576 -17.244 1.912 368 HD3 ARG 45 1HD ARG 45 -0.163 -16.893 1.858 369 HE ARG 45 HE ARG 45 0.882 -17.155 -0.813 370 HH11 ARG 45 1HH1 ARG 45 -1.698 -18.347 0.215 371 HH12 ARG 45 2HH1 ARG 45 -1.354 -20.042 0.137 372 HH21 ARG 45 1HH2 ARG 45 2.074 -19.605 -0.152 373 HH22 ARG 45 2HH2 ARG 45 0.781 -20.755 -0.071 374 H TYR 46 H TYR 46 2.790 -11.623 0.384 375 HA TYR 46 HA TYR 46 5.228 -11.153 2.061 376 HB2 TYR 46 2HB TYR 46 4.181 -9.386 -0.145 377 HB3 TYR 46 1HB TYR 46 5.767 -9.353 0.609 378 HD1 TYR 46 1HD TYR 46 6.704 -11.985 0.730 379 HD2 TYR 46 2HD TYR 46 4.331 -10.185 -2.352 380 HE1 TYR 46 1HE TYR 46 7.537 -13.662 -0.874 381 HE2 TYR 46 2HE TYR 46 5.159 -11.866 -3.970 382 HH TYR 46 HH TYR 46 6.152 -14.031 -4.034 383 H GLU 47 H GLU 47 5.182 -9.412 3.432 384 HA GLU 47 HA GLU 47 2.472 -8.339 4.125 385 HB2 GLU 47 2HB GLU 47 5.061 -8.779 5.632 386 HB3 GLU 47 1HB GLU 47 3.756 -7.795 6.297 387 HG2 GLU 47 2HG GLU 47 2.294 -9.917 5.618 388 HG3 GLU 47 1HG GLU 47 3.843 -10.741 5.801 389 H VAL 48 H VAL 48 2.509 -6.613 2.543 390 HA VAL 48 HA VAL 48 4.772 -4.729 2.533 391 HB VAL 48 HB VAL 48 3.499 -3.709 0.711 392 HG11 VAL 48 1HG1 VAL 48 4.576 -6.198 0.671 393 HG12 VAL 48 2HG1 VAL 48 3.869 -5.432 -0.751 394 HG13 VAL 48 3HG1 VAL 48 2.919 -6.575 0.199 395 HG21 VAL 48 3HG2 VAL 48 1.258 -5.105 0.231 396 HG22 VAL 48 1HG2 VAL 48 1.257 -3.666 1.251 397 HG23 VAL 48 2HG2 VAL 48 1.299 -5.267 1.986 398 H ASN 49 H ASN 49 4.866 -2.981 3.856 399 HA ASN 49 HA ASN 49 2.336 -1.886 4.996 400 HB2 ASN 49 2HB ASN 49 5.107 -2.100 6.235 401 HB3 ASN 49 1HB ASN 49 3.679 -1.430 7.025 402 HD21 ASN 49 1HD2 ASN 49 5.111 -4.451 5.800 403 HD22 ASN 49 2HD2 ASN 49 4.075 -5.487 6.658 404 H ILE 50 H ILE 50 2.142 -0.209 3.595 405 HA ILE 50 HA ILE 50 4.464 1.637 3.196 406 HB ILE 50 HB ILE 50 3.569 0.524 1.213 407 HG12 ILE 50 2HG1 ILE 50 4.253 3.017 1.222 408 HG13 ILE 50 1HG1 ILE 50 3.325 2.434 -0.157 409 HG21 ILE 50 1HG2 ILE 50 1.005 1.333 2.451 410 HG22 ILE 50 2HG2 ILE 50 1.383 -0.073 1.457 411 HG23 ILE 50 3HG2 ILE 50 1.083 1.490 0.697 412 HD11 ILE 50 3HD1 ILE 50 1.679 3.897 0.286 413 HD12 ILE 50 1HD1 ILE 50 2.664 4.563 1.586 414 HD13 ILE 50 2HD1 ILE 50 1.516 3.270 1.921 415 H VAL 51 H VAL 51 4.130 3.897 3.536 416 HA VAL 51 HA VAL 51 1.744 4.552 5.214 417 HB VAL 51 HB VAL 51 3.873 4.952 6.249 418 HG11 VAL 51 1HG1 VAL 51 5.400 4.936 4.437 419 HG12 VAL 51 2HG1 VAL 51 5.477 6.587 5.054 420 HG13 VAL 51 3HG1 VAL 51 4.546 6.231 3.598 421 HG21 VAL 51 3HG2 VAL 51 3.150 7.680 5.189 422 HG22 VAL 51 1HG2 VAL 51 3.649 7.226 6.818 423 HG23 VAL 51 2HG2 VAL 51 2.037 6.807 6.242 424 H LEU 52 H LEU 52 0.177 5.894 4.409 425 HA LEU 52 HA LEU 52 0.590 7.174 1.761 426 HB2 LEU 52 2HB LEU 52 -1.727 6.577 3.602 427 HB3 LEU 52 1HB LEU 52 -1.921 7.652 2.222 428 HG LEU 52 HG LEU 52 -2.429 5.090 1.957 429 HD11 LEU 52 1HD1 LEU 52 -2.397 5.540 -0.264 430 HD12 LEU 52 2HD1 LEU 52 -0.671 5.902 -0.256 431 HD13 LEU 52 3HD1 LEU 52 -1.834 7.140 0.221 432 HD21 LEU 52 3HD2 LEU 52 0.587 5.213 1.753 433 HD22 LEU 52 1HD2 LEU 52 -0.377 3.909 1.062 434 HD23 LEU 52 2HD2 LEU 52 -0.375 4.175 2.805 435 H ASN 53 H ASN 53 -1.015 9.366 1.917 436 HA ASN 53 HA ASN 53 0.545 11.431 3.001 437 HB2 ASN 53 2HB ASN 53 -2.312 11.016 2.205 438 HB3 ASN 53 1HB ASN 53 -1.899 12.527 3.011 439 HD21 ASN 53 1HD2 ASN 53 0.145 10.612 0.765 440 HD22 ASN 53 2HD2 ASN 53 0.282 11.833 -0.404 441 HA PRO 54 HA PRO 54 -0.156 11.596 7.327 442 HB2 PRO 54 2HB PRO 54 -1.121 14.128 7.812 443 HB3 PRO 54 1HB PRO 54 0.579 13.782 7.431 444 HG2 PRO 54 2HG PRO 54 -1.610 14.706 5.617 445 HG3 PRO 54 1HG PRO 54 0.065 15.277 5.737 446 HD2 PRO 54 2HD PRO 54 -0.672 13.598 3.797 447 HD3 PRO 54 1HD PRO 54 0.914 13.445 4.585 448 H ASN 55 H ASN 55 -2.825 12.118 5.202 449 HA ASN 55 HA ASN 55 -4.675 11.115 7.314 450 HB2 ASN 55 2HB ASN 55 -4.968 13.455 7.507 451 HB3 ASN 55 1HB ASN 55 -4.817 13.704 5.768 452 HD21 ASN 55 1HD2 ASN 55 -6.717 13.510 4.484 453 HD22 ASN 55 2HD2 ASN 55 -8.247 13.164 5.132 454 H LEU 56 H LEU 56 -4.640 9.120 5.963 455 HA LEU 56 HA LEU 56 -5.238 9.053 3.189 456 HB2 LEU 56 2HB LEU 56 -5.291 7.245 5.552 457 HB3 LEU 56 1HB LEU 56 -6.211 6.715 4.143 458 HG LEU 56 HG LEU 56 -3.282 7.455 4.234 459 HD11 LEU 56 1HD1 LEU 56 -4.359 5.150 4.978 460 HD12 LEU 56 2HD1 LEU 56 -2.872 5.184 4.030 461 HD13 LEU 56 3HD1 LEU 56 -4.419 4.874 3.239 462 HD21 LEU 56 3HD2 LEU 56 -3.710 8.137 2.090 463 HD22 LEU 56 1HD2 LEU 56 -5.241 7.268 2.014 464 HD23 LEU 56 2HD2 LEU 56 -3.726 6.405 1.753 465 H ASP 57 H ASP 57 -7.401 7.569 2.703 466 HA ASP 57 HA ASP 57 -9.852 8.134 4.014 467 HB2 ASP 57 2HB ASP 57 -9.410 10.457 3.630 468 HB3 ASP 57 1HB ASP 57 -8.925 10.160 1.964 469 H GLN 58 H GLN 58 -11.749 7.882 2.410 470 HA GLN 58 HA GLN 58 -11.507 5.526 0.896 471 HB2 GLN 58 2HB GLN 58 -13.461 7.810 0.502 472 HB3 GLN 58 1HB GLN 58 -13.739 6.110 0.121 473 HG2 GLN 58 2HG GLN 58 -13.061 5.854 2.713 474 HG3 GLN 58 1HG GLN 58 -13.738 7.483 2.761 475 HE21 GLN 58 1HE2 GLN 58 -14.606 4.251 3.029 476 HE22 GLN 58 2HE2 GLN 58 -16.252 4.386 2.637 477 H SER 59 H SER 59 -11.127 8.908 -0.092 478 HA SER 59 HA SER 59 -11.075 8.450 -2.914 479 HB2 SER 59 2HB SER 59 -10.997 10.583 -1.095 480 HB3 SER 59 1HB SER 59 -9.478 10.693 -1.979 481 HG SER 59 HG SER 59 -11.572 11.677 -2.852 482 H GLN 60 H GLN 60 -8.611 8.425 -0.390 483 HA GLN 60 HA GLN 60 -6.330 8.297 -2.170 484 HB2 GLN 60 2HB GLN 60 -6.739 7.454 0.719 485 HB3 GLN 60 1HB GLN 60 -5.180 7.733 -0.052 486 HG2 GLN 60 2HG GLN 60 -7.362 9.820 0.207 487 HG3 GLN 60 1HG GLN 60 -5.955 9.704 1.264 488 HE21 GLN 60 1HE2 GLN 60 -3.799 9.403 -0.248 489 HE22 GLN 60 2HE2 GLN 60 -3.673 10.582 -1.458 490 H LEU 61 H LEU 61 -8.191 5.837 -0.354 491 HA LEU 61 HA LEU 61 -6.633 3.578 -1.174 492 HB2 LEU 61 2HB LEU 61 -9.500 3.968 -0.308 493 HB3 LEU 61 1HB LEU 61 -8.818 2.374 -0.647 494 HG LEU 61 HG LEU 61 -7.495 4.306 1.267 495 HD11 LEU 61 1HD1 LEU 61 -9.788 3.861 2.070 496 HD12 LEU 61 2HD1 LEU 61 -8.595 3.060 3.093 497 HD13 LEU 61 3HD1 LEU 61 -9.508 2.127 1.908 498 HD21 LEU 61 3HD2 LEU 61 -6.399 2.280 2.070 499 HD22 LEU 61 1HD2 LEU 61 -6.195 2.386 0.321 500 HD23 LEU 61 2HD2 LEU 61 -7.391 1.287 1.005 501 H ALA 62 H ALA 62 -9.345 5.289 -2.699 502 HA ALA 62 HA ALA 62 -10.060 3.424 -4.664 503 HB1 ALA 62 1HB ALA 62 -9.955 6.415 -4.425 504 HB2 ALA 62 2HB ALA 62 -11.361 5.368 -4.618 505 HB3 ALA 62 3HB ALA 62 -10.330 5.723 -6.004 506 H LEU 63 H LEU 63 -7.390 5.740 -4.531 507 HA LEU 63 HA LEU 63 -6.291 5.078 -7.106 508 HB2 LEU 63 2HB LEU 63 -5.351 6.431 -4.576 509 HB3 LEU 63 1HB LEU 63 -4.282 6.232 -5.960 510 HG LEU 63 HG LEU 63 -6.935 7.685 -5.923 511 HD11 LEU 63 1HD1 LEU 63 -5.630 9.664 -6.281 512 HD12 LEU 63 2HD1 LEU 63 -4.169 8.725 -6.591 513 HD13 LEU 63 3HD1 LEU 63 -4.843 8.796 -4.962 514 HD21 LEU 63 3HD2 LEU 63 -5.063 6.938 -8.181 515 HD22 LEU 63 1HD2 LEU 63 -6.221 8.261 -8.317 516 HD23 LEU 63 2HD2 LEU 63 -6.792 6.613 -8.054 517 H GLU 64 H GLU 64 -5.435 4.241 -3.740 518 HA GLU 64 HA GLU 64 -3.314 2.457 -4.333 519 HB2 GLU 64 2HB GLU 64 -5.369 2.430 -2.093 520 HB3 GLU 64 1HB GLU 64 -3.812 1.605 -2.050 521 HG2 GLU 64 2HG GLU 64 -4.182 4.595 -2.384 522 HG3 GLU 64 1HG GLU 64 -3.728 3.794 -0.879 523 H LYS 65 H LYS 65 -6.836 1.846 -4.039 524 HA LYS 65 HA LYS 65 -6.553 -1.002 -4.475 525 HB2 LYS 65 2HB LYS 65 -8.614 1.000 -4.043 526 HB3 LYS 65 1HB LYS 65 -9.119 -0.158 -5.276 527 HG2 LYS 65 2HG LYS 65 -9.802 -1.158 -3.244 528 HG3 LYS 65 1HG LYS 65 -8.286 -1.973 -3.634 529 HD2 LYS 65 2HD LYS 65 -7.192 -1.059 -1.861 530 HD3 LYS 65 1HD LYS 65 -7.974 0.509 -2.067 531 HE2 LYS 65 2HE LYS 65 -9.683 -1.765 -1.133 532 HE3 LYS 65 1HE LYS 65 -8.556 -1.043 0.031 533 HZ1 LYS 65 3HZ LYS 65 -10.969 -0.001 -0.655 534 HZ2 LYS 65 1HZ LYS 65 -9.896 0.896 -1.615 535 HZ3 LYS 65 2HZ LYS 65 -9.699 0.860 0.072 536 H GLU 66 H GLU 66 -7.461 1.701 -6.669 537 HA GLU 66 HA GLU 66 -7.669 -0.010 -8.969 538 HB2 GLU 66 2HB GLU 66 -7.719 2.873 -8.308 539 HB3 GLU 66 1HB GLU 66 -7.221 2.491 -9.953 540 HG2 GLU 66 2HG GLU 66 -9.599 1.042 -8.897 541 HG3 GLU 66 1HG GLU 66 -9.806 2.752 -9.277 542 H ILE 67 H ILE 67 -5.070 1.992 -7.577 543 HA ILE 67 HA ILE 67 -3.266 1.538 -9.802 544 HB ILE 67 HB ILE 67 -2.903 2.541 -6.963 545 HG12 ILE 67 2HG1 ILE 67 -4.359 4.048 -8.096 546 HG13 ILE 67 1HG1 ILE 67 -2.767 4.758 -8.297 547 HG21 ILE 67 1HG2 ILE 67 -1.033 2.100 -9.207 548 HG22 ILE 67 2HG2 ILE 67 -0.711 2.218 -7.478 549 HG23 ILE 67 3HG2 ILE 67 -0.923 3.682 -8.435 550 HD11 ILE 67 3HD1 ILE 67 -2.787 3.216 -10.481 551 HD12 ILE 67 1HD1 ILE 67 -3.484 4.836 -10.483 552 HD13 ILE 67 2HD1 ILE 67 -4.527 3.425 -10.294 553 H ILE 68 H ILE 68 -3.612 0.089 -6.525 554 HA ILE 68 HA ILE 68 -1.257 -1.573 -6.826 555 HB ILE 68 HB ILE 68 -3.732 -1.722 -5.076 556 HG12 ILE 68 2HG1 ILE 68 -0.884 -0.805 -4.549 557 HG13 ILE 68 1HG1 ILE 68 -2.285 0.251 -4.731 558 HG21 ILE 68 1HG2 ILE 68 -1.129 -3.187 -4.624 559 HG22 ILE 68 2HG2 ILE 68 -2.493 -3.933 -5.457 560 HG23 ILE 68 3HG2 ILE 68 -2.662 -3.408 -3.781 561 HD11 ILE 68 3HD1 ILE 68 -1.722 -0.167 -2.339 562 HD12 ILE 68 1HD1 ILE 68 -2.002 -1.889 -2.599 563 HD13 ILE 68 2HD1 ILE 68 -3.335 -0.744 -2.758 564 H GLN 69 H GLN 69 -4.753 -2.252 -7.141 565 HA GLN 69 HA GLN 69 -4.523 -4.969 -7.936 566 HB2 GLN 69 2HB GLN 69 -6.513 -2.756 -8.494 567 HB3 GLN 69 1HB GLN 69 -6.792 -4.421 -9.002 568 HG2 GLN 69 2HG GLN 69 -6.096 -3.738 -6.145 569 HG3 GLN 69 1HG GLN 69 -7.763 -3.719 -6.721 570 HE21 GLN 69 1HE2 GLN 69 -8.102 -5.590 -5.177 571 HE22 GLN 69 2HE2 GLN 69 -7.652 -7.149 -5.675 572 H ARG 70 H ARG 70 -4.411 -1.963 -9.854 573 HA ARG 70 HA ARG 70 -4.494 -3.066 -12.437 574 HB2 ARG 70 2HB ARG 70 -3.667 -0.608 -11.081 575 HB3 ARG 70 1HB ARG 70 -2.763 -0.901 -12.566 576 HG2 ARG 70 2HG ARG 70 -5.156 -1.455 -13.542 577 HG3 ARG 70 1HG ARG 70 -5.704 -0.455 -12.195 578 HD2 ARG 70 2HD ARG 70 -4.925 1.464 -13.155 579 HD3 ARG 70 1HD ARG 70 -3.438 0.681 -13.727 580 HE ARG 70 HE ARG 70 -4.621 -0.076 -15.682 581 HH11 ARG 70 1HH2 ARG 70 -5.854 2.739 -14.749 582 HH12 ARG 70 2HH2 ARG 70 -7.491 2.470 -15.248 583 HH21 ARG 70 1HH1 ARG 70 -7.054 -0.935 -15.749 584 HH22 ARG 70 2HH1 ARG 70 -8.172 0.387 -15.814 585 H ALA 71 H ALA 71 -1.590 -2.394 -10.413 586 HA ALA 71 HA ALA 71 0.233 -3.470 -12.356 587 HB1 ALA 71 1HB ALA 71 1.653 -3.530 -10.110 588 HB2 ALA 71 2HB ALA 71 0.278 -2.616 -9.488 589 HB3 ALA 71 3HB ALA 71 1.209 -1.993 -10.851 590 H LEU 72 H LEU 72 -1.090 -4.764 -9.315 591 HA LEU 72 HA LEU 72 0.158 -7.308 -9.422 592 HB2 LEU 72 2HB LEU 72 -2.453 -6.356 -8.216 593 HB3 LEU 72 1HB LEU 72 -1.636 -7.855 -7.781 594 HG LEU 72 HG LEU 72 -0.675 -5.020 -7.355 595 HD11 LEU 72 1HD1 LEU 72 -1.289 -5.396 -5.222 596 HD12 LEU 72 2HD1 LEU 72 -0.350 -6.888 -5.171 597 HD13 LEU 72 3HD1 LEU 72 -2.017 -6.913 -5.748 598 HD21 LEU 72 3HD2 LEU 72 0.886 -7.614 -7.137 599 HD22 LEU 72 1HD2 LEU 72 1.441 -6.057 -6.521 600 HD23 LEU 72 2HD2 LEU 72 1.208 -6.289 -8.254 601 H GLU 73 H GLU 73 -2.867 -6.113 -10.770 602 HA GLU 73 HA GLU 73 -3.932 -8.642 -11.567 603 HB2 GLU 73 2HB GLU 73 -4.394 -5.750 -12.316 604 HB3 GLU 73 1HB GLU 73 -5.304 -7.042 -13.084 605 HG2 GLU 73 2HG GLU 73 -5.198 -7.293 -10.163 606 HG3 GLU 73 1HG GLU 73 -5.999 -5.820 -10.711 607 H ASN 74 H ASN 74 -2.110 -6.099 -13.277 608 HA ASN 74 HA ASN 74 -2.013 -7.374 -15.809 609 HB2 ASN 74 2HB ASN 74 -1.318 -4.990 -14.947 610 HB3 ASN 74 1HB ASN 74 0.243 -5.754 -14.641 611 HD21 ASN 74 1HD2 ASN 74 -0.260 -3.684 -16.677 612 HD22 ASN 74 2HD2 ASN 74 0.083 -4.389 -18.182 613 H TYR 75 H TYR 75 0.019 -7.577 -12.897 614 HA TYR 75 HA TYR 75 1.901 -9.466 -14.074 615 HB2 TYR 75 2HB TYR 75 1.823 -7.742 -11.961 616 HB3 TYR 75 1HB TYR 75 1.549 -9.281 -11.150 617 HD1 TYR 75 2HD TYR 75 3.809 -7.412 -13.384 618 HD2 TYR 75 1HD TYR 75 3.312 -10.947 -11.001 619 HE1 TYR 75 2HE TYR 75 6.217 -7.948 -13.675 620 HE2 TYR 75 1HE TYR 75 5.707 -11.491 -11.298 621 HH TYR 75 HH TYR 75 7.521 -10.768 -13.308 622 H GLY 76 H GLY 76 -1.115 -9.661 -12.284 623 HA2 GLY 76 2HA GLY 76 -2.535 -11.610 -12.415 624 HA3 GLY 76 1HA GLY 76 -1.088 -12.580 -12.647 625 H ALA 77 H ALA 77 -0.858 -10.145 -10.241 626 HA ALA 77 HA ALA 77 -0.735 -12.227 -8.131 627 HB1 ALA 77 1HB ALA 77 -0.018 -9.284 -8.298 628 HB2 ALA 77 2HB ALA 77 1.097 -10.650 -8.319 629 HB3 ALA 77 3HB ALA 77 0.207 -10.261 -6.847 630 H ARG 78 H ARG 78 -2.435 -12.528 -6.745 631 HA ARG 78 HA ARG 78 -4.504 -10.362 -6.548 632 HB2 ARG 78 2HB ARG 78 -4.683 -13.014 -7.375 633 HB3 ARG 78 1HB ARG 78 -5.254 -13.067 -5.706 634 HG2 ARG 78 2HG ARG 78 -6.368 -10.749 -6.968 635 HG3 ARG 78 1HG ARG 78 -6.661 -12.146 -8.005 636 HD2 ARG 78 2HD ARG 78 -7.367 -11.925 -5.054 637 HD3 ARG 78 1HD ARG 78 -8.506 -11.978 -6.415 638 HE ARG 78 HE ARG 78 -6.725 -14.243 -5.612 639 HH11 ARG 78 1HH2 ARG 78 -9.640 -14.512 -5.167 640 HH12 ARG 78 2HH2 ARG 78 -10.172 -15.335 -6.597 641 HH21 ARG 78 1HH1 ARG 78 -7.295 -14.618 -8.396 642 HH22 ARG 78 2HH1 ARG 78 -8.842 -15.395 -8.427 643 H VAL 79 H VAL 79 -5.089 -9.697 -4.445 644 HA VAL 79 HA VAL 79 -3.347 -10.654 -2.252 645 HB VAL 79 HB VAL 79 -5.425 -8.468 -2.151 646 HG11 VAL 79 1HG1 VAL 79 -2.728 -8.227 -0.937 647 HG12 VAL 79 2HG1 VAL 79 -3.795 -9.439 -0.227 648 HG13 VAL 79 3HG1 VAL 79 -4.300 -7.751 -0.296 649 HG21 VAL 79 3HG2 VAL 79 -4.097 -8.122 -4.204 650 HG22 VAL 79 1HG2 VAL 79 -2.608 -8.274 -3.270 651 HG23 VAL 79 2HG2 VAL 79 -3.691 -6.910 -2.988 652 H GLU 80 H GLU 80 -4.108 -12.127 -0.805 653 HA GLU 80 HA GLU 80 -6.937 -12.924 -0.847 654 HB2 GLU 80 2HB GLU 80 -5.717 -14.820 -0.480 655 HB3 GLU 80 1HB GLU 80 -4.309 -13.899 0.046 656 HG2 GLU 80 2HG GLU 80 -5.120 -13.752 2.282 657 HG3 GLU 80 1HG GLU 80 -6.729 -14.304 1.816 658 H LYS 81 H LYS 81 -5.042 -10.614 0.781 659 HA LYS 81 HA LYS 81 -7.068 -10.376 2.969 660 HB2 LYS 81 2HB LYS 81 -5.189 -9.930 4.424 661 HB3 LYS 81 1HB LYS 81 -4.827 -11.391 3.505 662 HG2 LYS 81 2HG LYS 81 -2.876 -10.318 3.038 663 HG3 LYS 81 1HG LYS 81 -3.853 -9.506 1.811 664 HD2 LYS 81 2HD LYS 81 -2.674 -7.808 3.082 665 HD3 LYS 81 1HD LYS 81 -4.382 -7.732 3.520 666 HE2 LYS 81 2HE LYS 81 -2.909 -9.624 5.200 667 HE3 LYS 81 1HE LYS 81 -2.274 -7.971 5.323 668 HZ1 LYS 81 3HZ LYS 81 -4.182 -7.208 6.198 669 HZ2 LYS 81 1HZ LYS 81 -4.482 -8.829 6.595 670 HZ3 LYS 81 2HZ LYS 81 -5.159 -8.162 5.187 671 H VAL 82 H VAL 82 -7.918 -8.304 3.148 672 HA VAL 82 HA VAL 82 -6.331 -6.017 2.060 673 HB VAL 82 HB VAL 82 -7.759 -6.624 0.249 674 HG11 VAL 82 1HG1 VAL 82 -9.218 -8.211 1.288 675 HG12 VAL 82 2HG1 VAL 82 -10.261 -6.922 0.688 676 HG13 VAL 82 3HG1 VAL 82 -9.855 -7.001 2.402 677 HG21 VAL 82 3HG2 VAL 82 -7.884 -4.183 1.251 678 HG22 VAL 82 1HG2 VAL 82 -9.544 -4.643 1.628 679 HG23 VAL 82 2HG2 VAL 82 -8.982 -4.661 -0.043 680 H GLU 83 H GLU 83 -6.080 -4.875 4.001 681 HA GLU 83 HA GLU 83 -8.609 -4.247 5.493 682 HB2 GLU 83 2HB GLU 83 -7.305 -5.841 6.761 683 HB3 GLU 83 1HB GLU 83 -5.827 -4.911 6.503 684 HG2 GLU 83 2HG GLU 83 -6.445 -3.248 8.009 685 HG3 GLU 83 1HG GLU 83 -8.169 -3.575 7.820 686 H GLU 84 H GLU 84 -8.933 -2.125 4.864 687 HA GLU 84 HA GLU 84 -6.640 -0.262 4.836 688 HB2 GLU 84 2HB GLU 84 -9.487 0.226 3.947 689 HB3 GLU 84 1HB GLU 84 -8.032 1.077 3.427 690 HG2 GLU 84 2HG GLU 84 -7.828 -0.372 1.718 691 HG3 GLU 84 1HG GLU 84 -7.606 -1.677 2.882 692 H LEU 85 H LEU 85 -6.377 1.016 6.670 693 HA LEU 85 HA LEU 85 -8.454 1.049 8.719 694 HB2 LEU 85 2HB LEU 85 -6.759 1.888 10.042 695 HB3 LEU 85 1HB LEU 85 -5.776 1.201 8.755 696 HG LEU 85 HG LEU 85 -6.726 4.060 8.611 697 HD11 LEU 85 1HD1 LEU 85 -4.684 2.884 10.388 698 HD12 LEU 85 2HD1 LEU 85 -5.556 4.410 10.527 699 HD13 LEU 85 3HD1 LEU 85 -4.157 4.288 9.461 700 HD21 LEU 85 3HD2 LEU 85 -4.828 2.280 7.195 701 HD22 LEU 85 1HD2 LEU 85 -4.249 3.918 7.494 702 HD23 LEU 85 2HD2 LEU 85 -5.738 3.662 6.586 703 H GLY 86 H GLY 86 -7.496 3.127 6.067 704 HA2 GLY 86 2HA GLY 86 -8.536 5.046 5.191 705 HA3 GLY 86 1HA GLY 86 -9.927 4.654 6.201 706 H LEU 87 H LEU 87 -9.875 7.132 6.370 707 HA LEU 87 HA LEU 87 -7.856 8.535 7.768 708 HB2 LEU 87 2HB LEU 87 -10.141 9.159 6.497 709 HB3 LEU 87 1HB LEU 87 -10.726 9.238 8.160 710 HG LEU 87 HG LEU 87 -8.207 10.647 7.258 711 HD11 LEU 87 1HD1 LEU 87 -10.391 12.445 7.736 712 HD12 LEU 87 2HD1 LEU 87 -10.891 11.259 6.529 713 HD13 LEU 87 3HD1 LEU 87 -9.448 12.237 6.261 714 HD21 LEU 87 3HD2 LEU 87 -8.669 10.143 9.713 715 HD22 LEU 87 1HD2 LEU 87 -10.064 11.214 9.583 716 HD23 LEU 87 2HD2 LEU 87 -8.438 11.848 9.323 717 H ARG 88 H ARG 88 -7.432 6.695 9.426 718 HA ARG 88 HA ARG 88 -9.261 6.955 11.744 719 HB2 ARG 88 2HB ARG 88 -9.146 4.726 10.667 720 HB3 ARG 88 1HB ARG 88 -7.404 4.704 10.938 721 HG2 ARG 88 2HG ARG 88 -7.801 4.897 13.383 722 HG3 ARG 88 1HG ARG 88 -9.539 4.839 13.088 723 HD2 ARG 88 2HD ARG 88 -9.136 2.604 11.906 724 HD3 ARG 88 1HD ARG 88 -7.504 2.649 12.602 725 HE ARG 88 HE ARG 88 -8.461 2.448 14.791 726 HH11 ARG 88 1HH1 ARG 88 -10.833 3.266 12.447 727 HH12 ARG 88 2HH1 ARG 88 -12.161 2.645 13.369 728 HH21 ARG 88 1HH2 ARG 88 -10.162 1.448 15.938 729 HH22 ARG 88 2HH2 ARG 88 -11.781 1.616 15.346 730 H ARG 89 H ARG 89 -8.322 7.443 13.758 731 HA ARG 89 HA ARG 89 -5.457 8.282 13.670 732 HB2 ARG 89 2HB ARG 89 -7.859 8.939 15.390 733 HB3 ARG 89 1HB ARG 89 -6.231 9.478 15.806 734 HG2 ARG 89 2HG ARG 89 -6.044 10.621 13.632 735 HG3 ARG 89 1HG ARG 89 -7.664 10.072 13.201 736 HD2 ARG 89 2HD ARG 89 -8.108 11.245 15.655 737 HD3 ARG 89 1HD ARG 89 -6.861 12.296 14.956 738 HE ARG 89 HE ARG 89 -8.327 12.722 13.069 739 HH11 ARG 89 1HH2 ARG 89 -9.560 9.896 14.302 740 HH12 ARG 89 2HH2 ARG 89 -11.220 10.387 14.288 741 HH21 ARG 89 1HH1 ARG 89 -10.514 13.703 13.563 742 HH22 ARG 89 2HH1 ARG 89 -11.760 12.540 13.869 743 H LEU 90 H LEU 90 -3.954 7.183 14.918 744 HA LEU 90 HA LEU 90 -4.655 5.769 17.354 745 HB2 LEU 90 2HB LEU 90 -5.674 4.316 15.629 746 HB3 LEU 90 1HB LEU 90 -4.107 4.172 14.832 747 HG LEU 90 HG LEU 90 -3.680 3.546 17.560 748 HD11 LEU 90 1HD1 LEU 90 -6.014 2.011 16.379 749 HD12 LEU 90 2HD1 LEU 90 -6.150 3.193 17.679 750 HD13 LEU 90 3HD1 LEU 90 -5.239 1.704 17.933 751 HD21 LEU 90 3HD2 LEU 90 -2.326 2.300 16.219 752 HD22 LEU 90 1HD2 LEU 90 -3.491 2.293 14.894 753 HD23 LEU 90 2HD2 LEU 90 -3.659 1.146 16.224 754 H ALA 91 H ALA 91 -2.767 6.943 18.092 755 HA ALA 91 HA ALA 91 -0.167 6.525 16.794 756 HB1 ALA 91 1HB ALA 91 0.282 8.398 17.983 757 HB2 ALA 91 2HB ALA 91 -0.114 7.586 19.498 758 HB3 ALA 91 3HB ALA 91 -1.386 8.359 18.553 759 H TYR 92 H TYR 92 1.648 5.964 18.635 760 HA TYR 92 HA TYR 92 0.846 3.279 19.664 761 HB2 TYR 92 2HB TYR 92 3.275 4.563 18.550 762 HB3 TYR 92 1HB TYR 92 3.558 3.390 19.839 763 HD1 TYR 92 2HD TYR 92 1.126 3.660 16.992 764 HD2 TYR 92 1HD TYR 92 4.067 1.272 19.014 765 HE1 TYR 92 2HE TYR 92 0.711 1.803 15.403 766 HE2 TYR 92 1HE TYR 92 3.651 -0.587 17.427 767 HH TYR 92 HH TYR 92 2.178 -0.254 14.552 768 HA PRO 93 HA PRO 93 1.061 4.864 23.775 769 HB2 PRO 93 2HB PRO 93 1.149 2.459 25.080 770 HB3 PRO 93 1HB PRO 93 -0.332 3.109 24.351 771 HG2 PRO 93 2HG PRO 93 1.531 1.033 23.318 772 HG3 PRO 93 1HG PRO 93 -0.234 1.112 23.222 773 HD2 PRO 93 2HD PRO 93 1.421 1.746 21.146 774 HD3 PRO 93 1HD PRO 93 -0.204 2.434 21.356 775 H ILE 94 H ILE 94 3.552 3.313 22.133 776 HA ILE 94 HA ILE 94 5.402 3.497 24.487 777 HB ILE 94 HB ILE 94 5.466 1.908 21.904 778 HG12 ILE 94 2HG1 ILE 94 3.975 0.922 23.510 779 HG13 ILE 94 1HG1 ILE 94 5.475 -0.002 23.589 780 HG21 ILE 94 1HG2 ILE 94 7.465 0.951 23.587 781 HG22 ILE 94 2HG2 ILE 94 7.609 2.704 23.729 782 HG23 ILE 94 3HG2 ILE 94 7.714 1.935 22.145 783 HD11 ILE 94 3HD1 ILE 94 6.031 1.908 25.417 784 HD12 ILE 94 1HD1 ILE 94 5.246 0.385 25.835 785 HD13 ILE 94 2HD1 ILE 94 4.278 1.839 25.592 786 H ALA 95 H ALA 95 6.515 5.415 24.417 787 HA ALA 95 HA ALA 95 7.582 6.320 21.766 788 HB1 ALA 95 1HB ALA 95 5.651 7.540 23.514 789 HB2 ALA 95 2HB ALA 95 6.258 8.139 21.971 790 HB3 ALA 95 3HB ALA 95 7.094 8.552 23.467 791 H LYS 96 H LYS 96 9.621 7.461 21.925 792 HA LYS 96 HA LYS 96 11.495 6.483 23.807 793 HB2 LYS 96 2HB LYS 96 11.622 7.790 21.488 794 HB3 LYS 96 1HB LYS 96 11.819 9.185 22.550 795 HG2 LYS 96 2HG LYS 96 13.460 6.972 23.455 796 HG3 LYS 96 1HG LYS 96 13.821 7.372 21.775 797 HD2 LYS 96 2HD LYS 96 14.363 9.616 22.305 798 HD3 LYS 96 1HD LYS 96 13.594 9.513 23.890 799 HE2 LYS 96 2HE LYS 96 15.576 7.462 23.787 800 HE3 LYS 96 1HE LYS 96 16.330 8.969 23.229 801 HZ1 LYS 96 3HZ LYS 96 14.493 9.126 25.498 802 HZ2 LYS 96 1HZ LYS 96 15.889 10.032 25.175 803 HZ3 LYS 96 2HZ LYS 96 16.025 8.453 25.787 Start of MODEL 4 1 H1 MET 1 1HT MET 1 0.494 11.938 9.241 2 H2 MET 1 2HT MET 1 1.563 11.500 10.486 3 H3 MET 1 3HT MET 1 0.052 10.735 10.351 4 HA MET 1 HA MET 1 0.737 9.782 8.198 5 HB2 MET 1 2HB MET 1 2.286 11.719 7.787 6 HB3 MET 1 1HB MET 1 3.381 11.043 8.994 7 HG2 MET 1 2HG MET 1 2.621 8.988 7.120 8 HG3 MET 1 1HG MET 1 3.247 10.387 6.246 9 HE1 MET 1 2HE MET 1 5.246 11.106 6.004 10 HE2 MET 1 3HE MET 1 5.795 9.525 5.452 11 HE3 MET 1 1HE MET 1 6.777 10.459 6.588 12 H ASP 2 H ASP 2 2.958 10.123 10.991 13 HA ASP 2 HA ASP 2 3.573 7.279 11.046 14 HB2 ASP 2 2HB ASP 2 4.893 9.415 11.823 15 HB3 ASP 2 1HB ASP 2 3.988 9.199 13.321 16 HA PRO 3 HA PRO 3 0.635 7.389 14.804 17 HB2 PRO 3 2HB PRO 3 -1.040 9.533 15.076 18 HB3 PRO 3 1HB PRO 3 0.583 9.479 15.790 19 HG2 PRO 3 2HG PRO 3 -0.374 10.900 13.375 20 HG3 PRO 3 1HG PRO 3 0.879 11.357 14.535 21 HD2 PRO 3 2HD PRO 3 1.334 10.286 12.026 22 HD3 PRO 3 1HD PRO 3 2.505 10.301 13.359 23 H GLN 4 H GLN 4 0.019 7.835 11.596 24 HA GLN 4 HA GLN 4 -2.337 6.188 11.557 25 HB2 GLN 4 2HB GLN 4 -3.980 7.921 10.943 26 HB3 GLN 4 1HB GLN 4 -3.283 8.275 12.524 27 HG2 GLN 4 2HG GLN 4 -1.910 9.995 11.668 28 HG3 GLN 4 1HG GLN 4 -2.099 9.437 10.005 29 HE21 GLN 4 1HE2 GLN 4 -4.212 9.840 8.946 30 HE22 GLN 4 2HE2 GLN 4 -5.244 11.054 9.533 31 H GLY 5 H GLY 5 -3.357 7.881 9.170 32 HA2 GLY 5 2HA GLY 5 -3.006 7.907 6.856 33 HA3 GLY 5 1HA GLY 5 -1.300 8.143 7.232 34 H TYR 6 H TYR 6 -0.004 6.183 7.658 35 HA TYR 6 HA TYR 6 -0.489 4.123 5.720 36 HB2 TYR 6 2HB TYR 6 1.635 3.431 6.350 37 HB3 TYR 6 1HB TYR 6 1.659 5.081 6.962 38 HD1 TYR 6 2HD TYR 6 1.158 1.526 7.904 39 HD2 TYR 6 1HD TYR 6 1.774 5.536 9.316 40 HE1 TYR 6 2HE TYR 6 1.569 0.656 10.190 41 HE2 TYR 6 1HE TYR 6 2.186 4.666 11.602 42 HH TYR 6 HH TYR 6 2.625 1.298 12.236 43 H PHE 7 H PHE 7 -1.904 2.434 5.906 44 HA PHE 7 HA PHE 7 -2.065 0.835 8.296 45 HB2 PHE 7 2HB PHE 7 -3.783 3.142 7.942 46 HB3 PHE 7 1HB PHE 7 -4.740 1.665 8.023 47 HD1 PHE 7 2HD PHE 7 -4.412 0.082 9.972 48 HD2 PHE 7 1HD PHE 7 -2.730 4.033 9.877 49 HE1 PHE 7 2HE PHE 7 -4.086 0.003 12.430 50 HE2 PHE 7 1HE PHE 7 -2.404 3.954 12.334 51 HZ PHE 7 HZ PHE 7 -3.081 1.939 13.610 52 H LEU 8 H LEU 8 -1.528 0.291 5.568 53 HA LEU 8 HA LEU 8 -3.919 -1.276 4.793 54 HB2 LEU 8 2HB LEU 8 -1.874 -0.169 2.878 55 HB3 LEU 8 1HB LEU 8 -3.529 -0.668 2.535 56 HG LEU 8 HG LEU 8 -2.817 1.684 4.310 57 HD11 LEU 8 1HD1 LEU 8 -2.114 1.966 1.903 58 HD12 LEU 8 2HD1 LEU 8 -3.339 3.117 2.439 59 HD13 LEU 8 3HD1 LEU 8 -3.802 1.734 1.447 60 HD21 LEU 8 3HD2 LEU 8 -5.118 0.295 4.291 61 HD22 LEU 8 1HD2 LEU 8 -5.433 1.357 2.918 62 HD23 LEU 8 2HD2 LEU 8 -5.084 2.046 4.503 63 H TRP 9 H TRP 9 -3.505 -3.451 4.776 64 HA TRP 9 HA TRP 9 -0.649 -4.326 4.482 65 HB2 TRP 9 2HB TRP 9 -2.346 -4.650 6.598 66 HB3 TRP 9 1HB TRP 9 -2.670 -6.128 5.692 67 HD1 TRP 9 HD TRP 9 0.580 -5.758 4.603 68 HE1 TRP 9 1HE TRP 9 2.347 -6.849 6.131 69 HE3 TRP 9 3HE TRP 9 -2.154 -6.272 8.885 70 HZ2 TRP 9 2HZ TRP 9 2.570 -7.813 8.814 71 HZ3 TRP 9 3HZ TRP 9 -1.141 -7.278 10.910 72 HH2 TRP 9 HH TRP 9 1.216 -8.049 10.880 73 H TYR 10 H TYR 10 -0.319 -5.291 2.514 74 HA TYR 10 HA TYR 10 -2.595 -6.829 1.304 75 HB2 TYR 10 2HB TYR 10 -0.552 -4.928 0.156 76 HB3 TYR 10 1HB TYR 10 -1.393 -6.086 -0.874 77 HD1 TYR 10 2HD TYR 10 -4.076 -6.222 0.005 78 HD2 TYR 10 1HD TYR 10 -1.476 -2.802 -0.018 79 HE1 TYR 10 2HE TYR 10 -6.049 -4.723 -0.071 80 HE2 TYR 10 1HE TYR 10 -3.450 -1.303 -0.095 81 HH TYR 10 HH TYR 10 -6.613 -2.465 -0.738 82 H GLN 11 H GLN 11 -2.080 -8.969 1.285 83 HA GLN 11 HA GLN 11 0.755 -9.773 1.027 84 HB2 GLN 11 2HB GLN 11 -0.824 -10.338 3.044 85 HB3 GLN 11 1HB GLN 11 -1.494 -11.540 1.941 86 HG2 GLN 11 2HG GLN 11 0.713 -12.542 1.633 87 HG3 GLN 11 1HG GLN 11 1.444 -11.298 2.647 88 HE21 GLN 11 1HE2 GLN 11 1.979 -12.312 4.597 89 HE22 GLN 11 2HE2 GLN 11 0.935 -13.317 5.482 90 H VAL 12 H VAL 12 1.270 -11.364 -0.593 91 HA VAL 12 HA VAL 12 -0.985 -11.981 -2.479 92 HB VAL 12 HB VAL 12 0.570 -11.591 -4.292 93 HG11 VAL 12 1HG1 VAL 12 -0.517 -9.624 -3.185 94 HG12 VAL 12 2HG1 VAL 12 1.007 -9.235 -3.981 95 HG13 VAL 12 3HG1 VAL 12 0.949 -9.414 -2.226 96 HG21 VAL 12 3HG2 VAL 12 2.495 -12.194 -2.290 97 HG22 VAL 12 1HG2 VAL 12 2.829 -10.555 -2.849 98 HG23 VAL 12 2HG2 VAL 12 2.783 -11.889 -4.004 99 H GLU 13 H GLU 13 -0.094 -13.722 -4.103 100 HA GLU 13 HA GLU 13 1.335 -15.870 -2.579 101 HB2 GLU 13 2HB GLU 13 -0.344 -17.358 -3.943 102 HB3 GLU 13 1HB GLU 13 -0.929 -16.535 -2.500 103 HG2 GLU 13 2HG GLU 13 -1.920 -14.775 -3.813 104 HG3 GLU 13 1HG GLU 13 -1.145 -15.361 -5.284 105 H MET 14 H MET 14 2.604 -14.128 -4.335 106 HA MET 14 HA MET 14 3.031 -15.810 -6.784 107 HB2 MET 14 2HB MET 14 3.576 -12.847 -6.485 108 HB3 MET 14 1HB MET 14 3.368 -13.764 -7.977 109 HG2 MET 14 2HG MET 14 1.209 -13.246 -5.911 110 HG3 MET 14 1HG MET 14 1.349 -12.445 -7.476 111 HE1 MET 14 3HE MET 14 1.713 -13.534 -9.497 112 HE2 MET 14 1HE MET 14 0.595 -14.760 -10.108 113 HE3 MET 14 2HE MET 14 2.174 -15.234 -9.486 114 HA PRO 15 HA PRO 15 7.127 -16.393 -5.303 115 HB2 PRO 15 2HB PRO 15 8.415 -16.718 -7.698 116 HB3 PRO 15 1HB PRO 15 7.461 -17.964 -6.915 117 HG2 PRO 15 2HG PRO 15 6.730 -16.143 -9.139 118 HG3 PRO 15 1HG PRO 15 6.317 -17.849 -8.914 119 HD2 PRO 15 2HD PRO 15 4.559 -15.846 -8.434 120 HD3 PRO 15 1HD PRO 15 4.545 -17.372 -7.520 121 H GLU 16 H GLU 16 9.433 -15.833 -6.406 122 HA GLU 16 HA GLU 16 9.964 -13.104 -5.867 123 HB2 GLU 16 2HB GLU 16 11.420 -15.292 -6.061 124 HB3 GLU 16 1HB GLU 16 11.578 -14.802 -7.747 125 HG2 GLU 16 2HG GLU 16 12.004 -12.503 -6.086 126 HG3 GLU 16 1HG GLU 16 13.024 -13.814 -5.497 127 H ASP 17 H ASP 17 8.980 -14.846 -8.721 128 HA ASP 17 HA ASP 17 9.692 -12.984 -10.744 129 HB2 ASP 17 2HB ASP 17 8.980 -15.080 -11.477 130 HB3 ASP 17 1HB ASP 17 7.622 -15.117 -10.357 131 H ARG 18 H ARG 18 7.207 -12.852 -8.312 132 HA ARG 18 HA ARG 18 5.593 -10.821 -9.692 133 HB2 ARG 18 2HB ARG 18 4.193 -11.035 -7.775 134 HB3 ARG 18 1HB ARG 18 4.850 -12.649 -8.043 135 HG2 ARG 18 2HG ARG 18 5.594 -12.606 -5.917 136 HG3 ARG 18 1HG ARG 18 6.744 -11.364 -6.420 137 HD2 ARG 18 2HD ARG 18 4.146 -10.159 -6.049 138 HD3 ARG 18 1HD ARG 18 4.610 -11.052 -4.586 139 HE ARG 18 HE ARG 18 6.616 -9.264 -5.874 140 HH11 ARG 18 1HH1 ARG 18 4.092 -9.204 -3.644 141 HH12 ARG 18 2HH1 ARG 18 5.025 -8.534 -2.349 142 HH21 ARG 18 1HH2 ARG 18 8.042 -8.790 -4.038 143 HH22 ARG 18 2HH2 ARG 18 7.262 -8.300 -2.572 144 H VAL 19 H VAL 19 8.435 -10.834 -7.777 145 HA VAL 19 HA VAL 19 8.328 -8.538 -6.195 146 HB VAL 19 HB VAL 19 10.492 -9.664 -7.997 147 HG11 VAL 19 1HG1 VAL 19 11.797 -8.286 -6.011 148 HG12 VAL 19 2HG1 VAL 19 10.441 -7.214 -6.358 149 HG13 VAL 19 3HG1 VAL 19 11.549 -7.681 -7.649 150 HG21 VAL 19 3HG2 VAL 19 10.354 -9.745 -4.986 151 HG22 VAL 19 1HG2 VAL 19 11.222 -10.821 -6.080 152 HG23 VAL 19 2HG2 VAL 19 9.466 -10.922 -5.955 153 H ASN 20 H ASN 20 9.044 -8.704 -9.695 154 HA ASN 20 HA ASN 20 9.412 -5.928 -10.163 155 HB2 ASN 20 2HB ASN 20 8.921 -8.402 -11.629 156 HB3 ASN 20 1HB ASN 20 8.152 -7.022 -12.414 157 HD21 ASN 20 1HD2 ASN 20 11.316 -7.767 -10.819 158 HD22 ASN 20 2HD2 ASN 20 12.249 -6.925 -11.960 159 H ASP 21 H ASP 21 6.492 -7.850 -9.742 160 HA ASP 21 HA ASP 21 4.559 -6.065 -10.788 161 HB2 ASP 21 2HB ASP 21 4.446 -8.518 -9.931 162 HB3 ASP 21 1HB ASP 21 4.188 -7.794 -8.345 163 H LEU 22 H LEU 22 5.741 -6.470 -7.440 164 HA LEU 22 HA LEU 22 4.250 -4.334 -6.275 165 HB2 LEU 22 2HB LEU 22 6.764 -5.860 -5.679 166 HB3 LEU 22 1HB LEU 22 6.398 -4.433 -4.705 167 HG LEU 22 HG LEU 22 5.480 -6.632 -3.804 168 HD11 LEU 22 1HD1 LEU 22 4.547 -4.134 -3.575 169 HD12 LEU 22 2HD1 LEU 22 3.699 -5.507 -2.861 170 HD13 LEU 22 3HD1 LEU 22 3.165 -4.846 -4.407 171 HD21 LEU 22 3HD2 LEU 22 4.817 -7.423 -6.136 172 HD22 LEU 22 1HD2 LEU 22 3.480 -6.277 -6.055 173 HD23 LEU 22 2HD2 LEU 22 3.570 -7.608 -4.901 174 H ALA 23 H ALA 23 7.451 -4.410 -7.804 175 HA ALA 23 HA ALA 23 8.261 -1.754 -7.326 176 HB1 ALA 23 1HB ALA 23 9.398 -3.834 -8.453 177 HB2 ALA 23 2HB ALA 23 9.858 -2.219 -8.995 178 HB3 ALA 23 3HB ALA 23 8.719 -3.176 -9.942 179 H ARG 24 H ARG 24 6.497 -3.075 -10.151 180 HA ARG 24 HA ARG 24 5.985 -0.553 -11.387 181 HB2 ARG 24 2HB ARG 24 5.012 -3.375 -11.553 182 HB3 ARG 24 1HB ARG 24 4.058 -2.134 -12.364 183 HG2 ARG 24 2HG ARG 24 6.797 -1.626 -12.963 184 HG3 ARG 24 1HG ARG 24 6.505 -3.345 -13.237 185 HD2 ARG 24 2HD ARG 24 4.270 -1.814 -14.253 186 HD3 ARG 24 1HD ARG 24 5.787 -1.218 -14.957 187 HE ARG 24 HE ARG 24 5.561 -4.147 -14.857 188 HH11 ARG 24 1HH2 ARG 24 4.435 -1.402 -16.563 189 HH12 ARG 24 2HH2 ARG 24 4.698 -2.087 -18.132 190 HH21 ARG 24 1HH1 ARG 24 6.173 -4.980 -16.916 191 HH22 ARG 24 2HH1 ARG 24 5.682 -4.111 -18.331 192 H GLU 25 H GLU 25 4.080 -2.599 -9.182 193 HA GLU 25 HA GLU 25 1.666 -1.162 -9.135 194 HB2 GLU 25 2HB GLU 25 2.258 -3.401 -8.121 195 HB3 GLU 25 1HB GLU 25 3.045 -2.524 -6.809 196 HG2 GLU 25 2HG GLU 25 0.773 -1.257 -6.616 197 HG3 GLU 25 1HG GLU 25 0.124 -2.629 -7.515 198 H LEU 26 H LEU 26 4.509 -0.786 -6.997 199 HA LEU 26 HA LEU 26 3.410 1.428 -5.520 200 HB2 LEU 26 2HB LEU 26 5.417 1.298 -4.363 201 HB3 LEU 26 1HB LEU 26 5.376 -0.302 -5.096 202 HG LEU 26 HG LEU 26 6.679 0.798 -7.058 203 HD11 LEU 26 1HD1 LEU 26 6.353 3.025 -5.281 204 HD12 LEU 26 2HD1 LEU 26 7.156 2.988 -6.851 205 HD13 LEU 26 3HD1 LEU 26 8.070 2.636 -5.386 206 HD21 LEU 26 3HD2 LEU 26 8.458 -0.267 -6.155 207 HD22 LEU 26 1HD2 LEU 26 7.443 -0.542 -4.739 208 HD23 LEU 26 2HD2 LEU 26 8.524 0.851 -4.792 209 H ARG 27 H ARG 27 5.511 1.252 -8.391 210 HA ARG 27 HA ARG 27 6.243 3.989 -8.531 211 HB2 ARG 27 2HB ARG 27 6.900 1.751 -9.789 212 HB3 ARG 27 1HB ARG 27 5.710 2.321 -10.955 213 HG2 ARG 27 2HG ARG 27 7.466 4.469 -10.090 214 HG3 ARG 27 1HG ARG 27 8.378 3.129 -10.780 215 HD2 ARG 27 2HD ARG 27 7.070 3.209 -12.828 216 HD3 ARG 27 1HD ARG 27 5.987 4.430 -12.132 217 HE ARG 27 HE ARG 27 8.207 5.796 -11.855 218 HH11 ARG 27 1HH1 ARG 27 6.835 5.986 -14.540 219 HH12 ARG 27 2HH1 ARG 27 8.146 5.665 -15.626 220 HH21 ARG 27 1HH2 ARG 27 10.199 4.325 -13.174 221 HH22 ARG 27 2HH2 ARG 27 10.050 4.725 -14.853 222 H ILE 28 H ILE 28 3.324 2.312 -9.738 223 HA ILE 28 HA ILE 28 2.315 4.409 -11.351 224 HB ILE 28 HB ILE 28 0.982 2.209 -9.756 225 HG12 ILE 28 2HG1 ILE 28 1.717 2.431 -12.693 226 HG13 ILE 28 1HG1 ILE 28 2.615 1.497 -11.495 227 HG21 ILE 28 1HG2 ILE 28 -0.904 2.549 -11.371 228 HG22 ILE 28 2HG2 ILE 28 -0.094 4.006 -11.945 229 HG23 ILE 28 3HG2 ILE 28 -0.668 3.914 -10.283 230 HD11 ILE 28 3HD1 ILE 28 1.195 -0.229 -11.736 231 HD12 ILE 28 1HD1 ILE 28 0.347 0.670 -12.994 232 HD13 ILE 28 2HD1 ILE 28 -0.167 0.809 -11.313 233 H ARG 29 H ARG 29 1.689 3.662 -7.899 234 HA ARG 29 HA ARG 29 -0.029 6.027 -7.609 235 HB2 ARG 29 2HB ARG 29 -0.220 5.204 -5.307 236 HB3 ARG 29 1HB ARG 29 -0.387 3.860 -6.437 237 HG2 ARG 29 2HG ARG 29 2.323 3.906 -6.044 238 HG3 ARG 29 1HG ARG 29 1.730 4.395 -4.458 239 HD2 ARG 29 2HD ARG 29 0.044 2.379 -4.807 240 HD3 ARG 29 1HD ARG 29 1.305 1.807 -5.917 241 HE ARG 29 HE ARG 29 2.593 2.691 -3.549 242 HH11 ARG 29 1HH2 ARG 29 2.008 -0.091 -5.140 243 HH12 ARG 29 2HH2 ARG 29 1.793 -1.103 -3.752 244 HH21 ARG 29 1HH1 ARG 29 1.623 1.544 -1.518 245 HH22 ARG 29 2HH1 ARG 29 1.575 -0.178 -1.699 246 H ASP 30 H ASP 30 1.359 7.823 -8.026 247 HA ASP 30 HA ASP 30 3.918 8.172 -6.697 248 HB2 ASP 30 2HB ASP 30 1.985 9.934 -8.215 249 HB3 ASP 30 1HB ASP 30 3.506 10.554 -7.574 250 H ASN 31 H ASN 31 0.585 8.858 -5.885 251 HA ASN 31 HA ASN 31 0.894 10.923 -3.962 252 HB2 ASN 31 2HB ASN 31 -1.277 10.101 -3.168 253 HB3 ASN 31 1HB ASN 31 -1.226 10.003 -4.929 254 HD21 ASN 31 1HD2 ASN 31 -2.457 8.130 -5.370 255 HD22 ASN 31 2HD2 ASN 31 -2.146 6.607 -4.692 256 H VAL 32 H VAL 32 1.961 7.655 -3.882 257 HA VAL 32 HA VAL 32 1.927 7.350 -0.972 258 HB VAL 32 HB VAL 32 1.941 5.692 -3.123 259 HG11 VAL 32 1HG1 VAL 32 4.113 4.504 -3.178 260 HG12 VAL 32 2HG1 VAL 32 4.794 5.709 -2.085 261 HG13 VAL 32 3HG1 VAL 32 4.282 6.178 -3.707 262 HG21 VAL 32 3HG2 VAL 32 2.927 4.008 -1.265 263 HG22 VAL 32 1HG2 VAL 32 1.290 4.659 -1.191 264 HG23 VAL 32 2HG2 VAL 32 2.577 5.399 -0.239 265 H ARG 33 H ARG 33 3.576 7.901 0.433 266 HA ARG 33 HA ARG 33 5.794 9.513 -0.557 267 HB2 ARG 33 2HB ARG 33 4.917 10.257 1.461 268 HB3 ARG 33 1HB ARG 33 4.609 8.623 2.045 269 HG2 ARG 33 2HG ARG 33 6.730 8.370 2.868 270 HG3 ARG 33 1HG ARG 33 7.454 9.367 1.608 271 HD2 ARG 33 2HD ARG 33 5.743 10.495 3.851 272 HD3 ARG 33 1HD ARG 33 7.517 10.451 3.886 273 HE ARG 33 HE ARG 33 5.918 11.923 1.827 274 HH11 ARG 33 1HH2 ARG 33 7.302 13.541 3.875 275 HH12 ARG 33 2HH2 ARG 33 8.819 13.903 3.120 276 HH21 ARG 33 1HH1 ARG 33 8.521 11.422 0.721 277 HH22 ARG 33 2HH1 ARG 33 9.507 12.706 1.336 278 H ARG 34 H ARG 34 5.538 6.315 1.083 279 HA ARG 34 HA ARG 34 8.097 5.533 -0.199 280 HB2 ARG 34 2HB ARG 34 7.638 6.124 2.695 281 HB3 ARG 34 1HB ARG 34 8.730 4.801 2.285 282 HG2 ARG 34 2HG ARG 34 9.790 6.524 0.626 283 HG3 ARG 34 1HG ARG 34 8.983 7.727 1.634 284 HD2 ARG 34 2HD ARG 34 10.297 5.800 3.335 285 HD3 ARG 34 1HD ARG 34 11.459 6.458 2.165 286 HE ARG 34 HE ARG 34 10.221 8.729 2.897 287 HH11 ARG 34 1HH1 ARG 34 9.261 6.996 5.294 288 HH12 ARG 34 2HH1 ARG 34 10.401 7.492 6.501 289 HH21 ARG 34 1HH2 ARG 34 12.559 8.976 4.228 290 HH22 ARG 34 2HH2 ARG 34 12.269 8.613 5.896 291 H VAL 35 H VAL 35 8.059 3.367 -0.688 292 HA VAL 35 HA VAL 35 6.070 1.635 0.691 293 HB VAL 35 HB VAL 35 5.252 2.170 -1.500 294 HG11 VAL 35 1HG1 VAL 35 7.103 1.455 -3.389 295 HG12 VAL 35 2HG1 VAL 35 8.131 2.135 -2.127 296 HG13 VAL 35 3HG1 VAL 35 6.835 3.105 -2.828 297 HG21 VAL 35 3HG2 VAL 35 5.936 -0.070 -2.805 298 HG22 VAL 35 1HG2 VAL 35 4.838 -0.100 -1.428 299 HG23 VAL 35 2HG2 VAL 35 6.537 -0.515 -1.211 300 H MET 36 H MET 36 6.920 -0.211 1.534 301 HA MET 36 HA MET 36 9.452 -1.281 0.462 302 HB2 MET 36 2HB MET 36 9.639 0.319 2.505 303 HB3 MET 36 1HB MET 36 8.936 -1.016 3.419 304 HG2 MET 36 2HG MET 36 10.788 -2.387 3.109 305 HG3 MET 36 1HG MET 36 11.277 -1.566 1.626 306 HE1 MET 36 3HE MET 36 14.251 -0.050 2.773 307 HE2 MET 36 1HE MET 36 13.053 0.648 1.676 308 HE3 MET 36 2HE MET 36 13.324 -1.092 1.697 309 H VAL 37 H VAL 37 8.928 -3.376 -0.094 310 HA VAL 37 HA VAL 37 6.920 -4.815 1.605 311 HB VAL 37 HB VAL 37 7.815 -5.306 -1.253 312 HG11 VAL 37 1HG1 VAL 37 5.165 -6.213 -0.424 313 HG12 VAL 37 2HG1 VAL 37 6.449 -6.957 0.529 314 HG13 VAL 37 3HG1 VAL 37 6.453 -7.109 -1.229 315 HG21 VAL 37 3HG2 VAL 37 5.200 -4.413 -1.307 316 HG22 VAL 37 1HG2 VAL 37 6.613 -3.425 -1.674 317 HG23 VAL 37 2HG2 VAL 37 5.920 -3.402 -0.053 318 H VAL 38 H VAL 38 7.607 -6.616 2.706 319 HA VAL 38 HA VAL 38 10.383 -7.597 2.189 320 HB VAL 38 HB VAL 38 10.162 -8.448 4.513 321 HG11 VAL 38 1HG1 VAL 38 9.161 -5.607 4.512 322 HG12 VAL 38 2HG1 VAL 38 10.758 -5.991 3.868 323 HG13 VAL 38 3HG1 VAL 38 10.376 -6.350 5.552 324 HG21 VAL 38 3HG2 VAL 38 7.467 -7.067 4.530 325 HG22 VAL 38 1HG2 VAL 38 8.167 -8.083 5.791 326 HG23 VAL 38 2HG2 VAL 38 7.647 -8.801 4.267 327 H ALA 39 H ALA 39 10.728 -9.776 1.714 328 HA ALA 39 HA ALA 39 8.424 -11.347 0.782 329 HB1 ALA 39 1HB ALA 39 10.170 -12.802 -0.088 330 HB2 ALA 39 2HB ALA 39 11.378 -12.013 0.926 331 HB3 ALA 39 3HB ALA 39 10.626 -11.127 -0.401 332 H SER 40 H SER 40 7.939 -13.508 1.583 333 HA SER 40 HA SER 40 8.137 -13.761 4.475 334 HB2 SER 40 2HB SER 40 7.292 -16.193 3.387 335 HB3 SER 40 1HB SER 40 6.250 -14.861 3.877 336 HG SER 40 HG SER 40 6.842 -15.778 1.402 337 H THR 41 H THR 41 8.757 -16.245 5.164 338 HA THR 41 HA THR 41 11.604 -16.549 4.318 339 HB THR 41 HB THR 41 10.851 -16.163 6.722 340 HG1 THR 41 1HG THR 41 12.463 -17.414 7.413 341 HG21 THR 41 3HG2 THR 41 8.860 -17.559 6.714 342 HG22 THR 41 1HG2 THR 41 10.004 -18.202 7.892 343 HG23 THR 41 2HG2 THR 41 9.822 -18.984 6.321 344 H THR 42 H THR 42 8.806 -17.783 3.262 345 HA THR 42 HA THR 42 10.048 -20.333 2.478 346 HB THR 42 HB THR 42 7.858 -20.005 4.491 347 HG1 THR 42 1HG THR 42 9.935 -21.878 4.050 348 HG21 THR 42 3HG2 THR 42 6.781 -21.196 2.588 349 HG22 THR 42 1HG2 THR 42 6.962 -22.227 4.007 350 HG23 THR 42 2HG2 THR 42 8.069 -22.399 2.645 351 HA PRO 43 HA PRO 43 6.007 -19.825 0.015 352 HB2 PRO 43 2HB PRO 43 4.194 -17.931 0.801 353 HB3 PRO 43 1HB PRO 43 4.183 -19.594 1.422 354 HG2 PRO 43 2HG PRO 43 5.249 -17.113 2.680 355 HG3 PRO 43 1HG PRO 43 4.368 -18.463 3.415 356 HD2 PRO 43 2HD PRO 43 7.059 -18.167 3.612 357 HD3 PRO 43 1HD PRO 43 6.250 -19.746 3.632 358 H GLY 44 H GLY 44 4.984 -17.888 -1.397 359 HA2 GLY 44 2HA GLY 44 7.160 -15.954 -1.814 360 HA3 GLY 44 1HA GLY 44 6.042 -16.475 -3.065 361 H ARG 45 H ARG 45 4.994 -15.654 0.184 362 HA ARG 45 HA ARG 45 3.317 -13.505 -0.981 363 HB2 ARG 45 2HB ARG 45 2.228 -13.580 1.242 364 HB3 ARG 45 1HB ARG 45 2.292 -15.160 0.484 365 HG2 ARG 45 2HG ARG 45 4.283 -15.734 1.831 366 HG3 ARG 45 1HG ARG 45 4.231 -14.134 2.572 367 HD2 ARG 45 2HD ARG 45 1.654 -15.042 2.965 368 HD3 ARG 45 1HD ARG 45 2.620 -16.516 3.169 369 HE ARG 45 HE ARG 45 2.946 -14.018 4.758 370 HH11 ARG 45 1HH1 ARG 45 2.545 -17.230 5.169 371 HH12 ARG 45 2HH1 ARG 45 3.962 -17.512 6.125 372 HH21 ARG 45 1HH2 ARG 45 5.325 -14.383 5.497 373 HH22 ARG 45 2HH2 ARG 45 5.537 -15.897 6.311 374 H TYR 46 H TYR 46 3.200 -11.442 0.115 375 HA TYR 46 HA TYR 46 5.714 -10.683 1.546 376 HB2 TYR 46 2HB TYR 46 4.319 -9.233 -0.700 377 HB3 TYR 46 1HB TYR 46 5.751 -8.678 0.135 378 HD1 TYR 46 1HD TYR 46 4.420 -11.327 -2.082 379 HD2 TYR 46 2HD TYR 46 7.919 -9.565 -0.334 380 HE1 TYR 46 1HE TYR 46 5.847 -12.666 -3.600 381 HE2 TYR 46 2HE TYR 46 9.350 -10.901 -1.846 382 HH TYR 46 HH TYR 46 9.184 -12.043 -4.001 383 H GLU 47 H GLU 47 5.521 -8.867 2.876 384 HA GLU 47 HA GLU 47 2.760 -8.308 3.858 385 HB2 GLU 47 2HB GLU 47 5.566 -7.982 4.955 386 HB3 GLU 47 1HB GLU 47 4.163 -7.285 5.765 387 HG2 GLU 47 2HG GLU 47 4.080 -9.307 6.815 388 HG3 GLU 47 1HG GLU 47 3.279 -9.824 5.332 389 H VAL 48 H VAL 48 2.086 -6.739 2.311 390 HA VAL 48 HA VAL 48 3.799 -4.516 1.535 391 HB VAL 48 HB VAL 48 0.938 -5.367 1.142 392 HG11 VAL 48 1HG1 VAL 48 2.205 -2.711 0.519 393 HG12 VAL 48 2HG1 VAL 48 0.586 -3.052 1.130 394 HG13 VAL 48 3HG1 VAL 48 0.974 -3.370 -0.561 395 HG21 VAL 48 3HG2 VAL 48 3.489 -5.351 -0.383 396 HG22 VAL 48 1HG2 VAL 48 2.026 -5.013 -1.309 397 HG23 VAL 48 2HG2 VAL 48 2.171 -6.522 -0.407 398 H ASN 49 H ASN 49 4.242 -2.921 2.979 399 HA ASN 49 HA ASN 49 2.001 -1.774 4.578 400 HB2 ASN 49 2HB ASN 49 4.885 -2.278 5.410 401 HB3 ASN 49 1HB ASN 49 3.656 -1.504 6.411 402 HD21 ASN 49 1HD2 ASN 49 5.063 -4.509 5.687 403 HD22 ASN 49 2HD2 ASN 49 3.856 -5.510 6.339 404 H ILE 50 H ILE 50 1.767 0.024 3.264 405 HA ILE 50 HA ILE 50 4.212 1.676 2.748 406 HB ILE 50 HB ILE 50 1.823 0.873 1.182 407 HG12 ILE 50 2HG1 ILE 50 3.394 0.713 -0.570 408 HG13 ILE 50 1HG1 ILE 50 4.477 1.900 0.163 409 HG21 ILE 50 1HG2 ILE 50 1.748 2.869 -0.178 410 HG22 ILE 50 2HG2 ILE 50 3.064 3.602 0.740 411 HG23 ILE 50 3HG2 ILE 50 1.491 3.353 1.498 412 HD11 ILE 50 3HD1 ILE 50 3.854 -0.753 1.491 413 HD12 ILE 50 1HD1 ILE 50 5.169 0.363 1.857 414 HD13 ILE 50 2HD1 ILE 50 5.190 -0.567 0.359 415 H VAL 51 H VAL 51 4.136 3.873 3.202 416 HA VAL 51 HA VAL 51 1.881 4.740 4.959 417 HB VAL 51 HB VAL 51 4.257 4.642 5.794 418 HG11 VAL 51 1HG1 VAL 51 4.681 7.007 3.952 419 HG12 VAL 51 2HG1 VAL 51 5.204 5.371 3.550 420 HG13 VAL 51 3HG1 VAL 51 5.883 6.194 4.954 421 HG21 VAL 51 3HG2 VAL 51 3.922 7.481 6.022 422 HG22 VAL 51 1HG2 VAL 51 3.550 6.238 7.217 423 HG23 VAL 51 2HG2 VAL 51 2.327 6.729 6.044 424 H LEU 52 H LEU 52 0.459 6.159 4.082 425 HA LEU 52 HA LEU 52 1.245 7.688 1.642 426 HB2 LEU 52 2HB LEU 52 -1.240 6.607 2.886 427 HB3 LEU 52 1HB LEU 52 -1.407 8.087 1.943 428 HG LEU 52 HG LEU 52 0.280 6.289 0.492 429 HD11 LEU 52 1HD1 LEU 52 -1.108 4.361 0.219 430 HD12 LEU 52 2HD1 LEU 52 -2.423 5.093 1.136 431 HD13 LEU 52 3HD1 LEU 52 -0.947 4.592 1.960 432 HD21 LEU 52 3HD2 LEU 52 -1.477 8.182 -0.124 433 HD22 LEU 52 1HD2 LEU 52 -2.583 6.811 -0.219 434 HD23 LEU 52 2HD2 LEU 52 -1.150 6.861 -1.245 435 H ASN 53 H ASN 53 -0.435 9.820 1.769 436 HA ASN 53 HA ASN 53 0.796 11.841 3.181 437 HB2 ASN 53 2HB ASN 53 -2.195 11.488 2.788 438 HB3 ASN 53 1HB ASN 53 -1.336 13.021 2.924 439 HD21 ASN 53 1HD2 ASN 53 0.948 11.621 1.275 440 HD22 ASN 53 2HD2 ASN 53 0.396 11.759 -0.324 441 HA PRO 54 HA PRO 54 0.095 11.384 7.478 442 HB2 PRO 54 2HB PRO 54 -0.722 13.888 8.260 443 HB3 PRO 54 1HB PRO 54 0.957 13.492 7.836 444 HG2 PRO 54 2HG PRO 54 -1.164 14.763 6.158 445 HG3 PRO 54 1HG PRO 54 0.544 15.205 6.335 446 HD2 PRO 54 2HD PRO 54 -0.321 13.819 4.215 447 HD3 PRO 54 1HD PRO 54 1.269 13.497 4.942 448 H ASN 55 H ASN 55 -2.562 12.716 5.587 449 HA ASN 55 HA ASN 55 -4.468 11.515 7.572 450 HB2 ASN 55 2HB ASN 55 -4.605 13.890 7.773 451 HB3 ASN 55 1HB ASN 55 -4.527 14.114 6.024 452 HD21 ASN 55 1HD2 ASN 55 -6.654 13.059 8.678 453 HD22 ASN 55 2HD2 ASN 55 -8.093 13.144 7.782 454 H LEU 56 H LEU 56 -4.248 9.585 6.054 455 HA LEU 56 HA LEU 56 -4.999 9.676 3.307 456 HB2 LEU 56 2HB LEU 56 -4.851 7.680 5.524 457 HB3 LEU 56 1HB LEU 56 -5.700 7.208 4.051 458 HG LEU 56 HG LEU 56 -2.847 8.197 4.260 459 HD11 LEU 56 1HD1 LEU 56 -3.206 5.720 2.885 460 HD12 LEU 56 2HD1 LEU 56 -4.088 5.638 4.411 461 HD13 LEU 56 3HD1 LEU 56 -2.364 6.011 4.408 462 HD21 LEU 56 3HD2 LEU 56 -4.756 8.158 2.035 463 HD22 LEU 56 1HD2 LEU 56 -3.287 7.248 1.686 464 HD23 LEU 56 2HD2 LEU 56 -3.184 8.948 2.146 465 H ASP 57 H ASP 57 -7.052 7.919 2.979 466 HA ASP 57 HA ASP 57 -9.444 8.322 4.450 467 HB2 ASP 57 2HB ASP 57 -9.274 10.641 3.943 468 HB3 ASP 57 1HB ASP 57 -8.819 10.320 2.272 469 H GLN 58 H GLN 58 -11.406 7.805 3.001 470 HA GLN 58 HA GLN 58 -10.959 5.418 1.552 471 HB2 GLN 58 2HB GLN 58 -13.238 7.413 1.585 472 HB3 GLN 58 1HB GLN 58 -13.355 5.810 0.859 473 HG2 GLN 58 2HG GLN 58 -12.233 5.585 3.504 474 HG3 GLN 58 1HG GLN 58 -13.744 6.495 3.579 475 HE21 GLN 58 1HE2 GLN 58 -12.424 3.498 2.055 476 HE22 GLN 58 2HE2 GLN 58 -13.865 2.613 2.210 477 H SER 59 H SER 59 -11.107 8.781 0.503 478 HA SER 59 HA SER 59 -11.325 8.276 -2.307 479 HB2 SER 59 2HB SER 59 -11.014 10.476 -0.446 480 HB3 SER 59 1HB SER 59 -10.012 10.723 -1.872 481 HG SER 59 HG SER 59 -12.643 9.816 -2.197 482 H GLN 60 H GLN 60 -8.572 8.820 -0.119 483 HA GLN 60 HA GLN 60 -6.532 8.846 -2.142 484 HB2 GLN 60 2HB GLN 60 -6.646 8.259 0.826 485 HB3 GLN 60 1HB GLN 60 -5.124 8.283 -0.062 486 HG2 GLN 60 2HG GLN 60 -6.694 10.616 -0.729 487 HG3 GLN 60 1HG GLN 60 -6.494 10.499 1.019 488 HE21 GLN 60 1HE2 GLN 60 -4.862 12.102 1.307 489 HE22 GLN 60 2HE2 GLN 60 -3.322 11.995 0.602 490 H LEU 61 H LEU 61 -7.873 6.245 -0.101 491 HA LEU 61 HA LEU 61 -6.131 4.165 -1.029 492 HB2 LEU 61 2HB LEU 61 -8.989 4.080 -0.020 493 HB3 LEU 61 1HB LEU 61 -7.896 2.698 -0.127 494 HG LEU 61 HG LEU 61 -7.024 5.152 1.370 495 HD11 LEU 61 1HD1 LEU 61 -9.110 4.795 2.432 496 HD12 LEU 61 2HD1 LEU 61 -7.957 3.917 3.437 497 HD13 LEU 61 3HD1 LEU 61 -8.977 3.043 2.293 498 HD21 LEU 61 3HD2 LEU 61 -5.300 3.563 1.176 499 HD22 LEU 61 1HD2 LEU 61 -6.408 2.201 1.346 500 HD23 LEU 61 2HD2 LEU 61 -5.997 3.185 2.750 501 H ALA 62 H ALA 62 -9.157 5.509 -2.299 502 HA ALA 62 HA ALA 62 -9.879 3.522 -4.132 503 HB1 ALA 62 1HB ALA 62 -10.470 5.740 -5.510 504 HB2 ALA 62 2HB ALA 62 -10.026 6.514 -3.989 505 HB3 ALA 62 3HB ALA 62 -11.341 5.339 -4.029 506 H LEU 63 H LEU 63 -7.370 5.999 -4.277 507 HA LEU 63 HA LEU 63 -6.506 5.399 -6.953 508 HB2 LEU 63 2HB LEU 63 -5.373 6.809 -4.529 509 HB3 LEU 63 1HB LEU 63 -4.475 6.698 -6.036 510 HG LEU 63 HG LEU 63 -7.281 7.812 -5.867 511 HD11 LEU 63 1HD1 LEU 63 -5.112 9.710 -6.371 512 HD12 LEU 63 2HD1 LEU 63 -4.996 8.968 -4.774 513 HD13 LEU 63 3HD1 LEU 63 -6.464 9.829 -5.245 514 HD21 LEU 63 3HD2 LEU 63 -5.100 7.824 -7.973 515 HD22 LEU 63 1HD2 LEU 63 -6.539 8.842 -8.064 516 HD23 LEU 63 2HD2 LEU 63 -6.697 7.086 -8.093 517 H GLU 64 H GLU 64 -5.216 4.647 -3.700 518 HA GLU 64 HA GLU 64 -3.104 2.940 -4.576 519 HB2 GLU 64 2HB GLU 64 -4.650 3.482 -2.081 520 HB3 GLU 64 1HB GLU 64 -3.683 2.007 -2.117 521 HG2 GLU 64 2HG GLU 64 -2.268 4.348 -3.185 522 HG3 GLU 64 1HG GLU 64 -2.719 4.518 -1.489 523 H LYS 65 H LYS 65 -6.519 2.269 -3.836 524 HA LYS 65 HA LYS 65 -6.250 -0.610 -4.045 525 HB2 LYS 65 2HB LYS 65 -8.421 1.439 -3.908 526 HB3 LYS 65 1HB LYS 65 -8.861 -0.174 -4.467 527 HG2 LYS 65 2HG LYS 65 -8.759 -0.993 -2.375 528 HG3 LYS 65 1HG LYS 65 -7.131 -0.350 -2.156 529 HD2 LYS 65 2HD LYS 65 -8.201 0.921 -0.572 530 HD3 LYS 65 1HD LYS 65 -8.505 1.946 -1.975 531 HE2 LYS 65 2HE LYS 65 -10.586 0.139 -2.129 532 HE3 LYS 65 1HE LYS 65 -10.411 0.373 -0.379 533 HZ1 LYS 65 3HZ LYS 65 -10.045 2.862 -1.306 534 HZ2 LYS 65 1HZ LYS 65 -11.535 2.265 -0.760 535 HZ3 LYS 65 2HZ LYS 65 -11.185 2.274 -2.422 536 H GLU 66 H GLU 66 -7.445 1.901 -6.313 537 HA GLU 66 HA GLU 66 -7.904 0.029 -8.445 538 HB2 GLU 66 2HB GLU 66 -8.391 2.008 -9.699 539 HB3 GLU 66 1HB GLU 66 -8.889 2.362 -8.045 540 HG2 GLU 66 2HG GLU 66 -6.738 3.502 -7.635 541 HG3 GLU 66 1HG GLU 66 -6.238 3.152 -9.291 542 H ILE 67 H ILE 67 -5.206 2.059 -7.430 543 HA ILE 67 HA ILE 67 -3.600 1.561 -9.800 544 HB ILE 67 HB ILE 67 -3.071 2.671 -7.029 545 HG12 ILE 67 2HG1 ILE 67 -4.622 4.035 -8.308 546 HG13 ILE 67 1HG1 ILE 67 -3.055 4.834 -8.365 547 HG21 ILE 67 1HG2 ILE 67 -1.118 3.733 -8.520 548 HG22 ILE 67 2HG2 ILE 67 -1.293 2.195 -9.368 549 HG23 ILE 67 3HG2 ILE 67 -0.907 2.216 -7.647 550 HD11 ILE 67 3HD1 ILE 67 -4.494 3.294 -10.491 551 HD12 ILE 67 1HD1 ILE 67 -2.735 3.392 -10.533 552 HD13 ILE 67 2HD1 ILE 67 -3.702 4.865 -10.602 553 H ILE 68 H ILE 68 -3.602 0.273 -6.447 554 HA ILE 68 HA ILE 68 -1.312 -1.441 -6.876 555 HB ILE 68 HB ILE 68 -3.599 -1.405 -4.886 556 HG12 ILE 68 2HG1 ILE 68 -0.683 -0.579 -4.706 557 HG13 ILE 68 1HG1 ILE 68 -2.054 0.523 -4.813 558 HG21 ILE 68 1HG2 ILE 68 -1.479 -2.764 -3.724 559 HG22 ILE 68 2HG2 ILE 68 -1.516 -3.405 -5.366 560 HG23 ILE 68 3HG2 ILE 68 -2.952 -3.505 -4.348 561 HD11 ILE 68 3HD1 ILE 68 -1.072 -1.048 -2.506 562 HD12 ILE 68 1HD1 ILE 68 -2.824 -1.032 -2.711 563 HD13 ILE 68 2HD1 ILE 68 -1.943 0.485 -2.534 564 H GLN 69 H GLN 69 -4.840 -2.052 -6.915 565 HA GLN 69 HA GLN 69 -4.645 -4.847 -7.502 566 HB2 GLN 69 2HB GLN 69 -6.979 -4.682 -7.749 567 HB3 GLN 69 1HB GLN 69 -6.609 -3.309 -6.709 568 HG2 GLN 69 2HG GLN 69 -7.990 -2.346 -8.339 569 HG3 GLN 69 1HG GLN 69 -6.378 -1.991 -8.958 570 HE21 GLN 69 1HE2 GLN 69 -8.535 -4.892 -9.084 571 HE22 GLN 69 2HE2 GLN 69 -8.373 -5.115 -10.759 572 H ARG 70 H ARG 70 -4.640 -1.977 -9.594 573 HA ARG 70 HA ARG 70 -5.020 -3.288 -12.073 574 HB2 ARG 70 2HB ARG 70 -5.307 -0.964 -12.018 575 HB3 ARG 70 1HB ARG 70 -3.846 -0.715 -11.064 576 HG2 ARG 70 2HG ARG 70 -2.474 -0.773 -12.890 577 HG3 ARG 70 1HG ARG 70 -3.495 -1.919 -13.757 578 HD2 ARG 70 2HD ARG 70 -5.197 0.134 -13.779 579 HD3 ARG 70 1HD ARG 70 -3.695 1.067 -13.631 580 HE ARG 70 HE ARG 70 -4.475 -0.563 -15.941 581 HH11 ARG 70 1HH2 ARG 70 -2.817 2.113 -15.450 582 HH12 ARG 70 2HH2 ARG 70 -1.325 1.635 -16.188 583 HH21 ARG 70 1HH1 ARG 70 -2.166 -1.727 -16.330 584 HH22 ARG 70 2HH1 ARG 70 -0.956 -0.539 -16.686 585 H ALA 71 H ALA 71 -2.019 -2.370 -10.333 586 HA ALA 71 HA ALA 71 -0.232 -3.407 -12.307 587 HB1 ALA 71 1HB ALA 71 1.295 -3.367 -10.175 588 HB2 ALA 71 2HB ALA 71 -0.111 -2.630 -9.408 589 HB3 ALA 71 3HB ALA 71 0.648 -1.848 -10.793 590 H LEU 72 H LEU 72 -1.390 -4.763 -9.209 591 HA LEU 72 HA LEU 72 -0.032 -7.258 -9.413 592 HB2 LEU 72 2HB LEU 72 -2.552 -6.342 -8.003 593 HB3 LEU 72 1HB LEU 72 -1.796 -7.908 -7.710 594 HG LEU 72 HG LEU 72 -0.309 -5.286 -7.440 595 HD11 LEU 72 1HD1 LEU 72 -2.305 -5.567 -5.861 596 HD12 LEU 72 2HD1 LEU 72 -0.736 -5.329 -5.094 597 HD13 LEU 72 3HD1 LEU 72 -1.439 -6.944 -5.177 598 HD21 LEU 72 3HD2 LEU 72 0.253 -8.182 -6.907 599 HD22 LEU 72 1HD2 LEU 72 0.998 -6.973 -5.860 600 HD23 LEU 72 2HD2 LEU 72 1.308 -6.948 -7.597 601 H GLU 73 H GLU 73 -3.186 -6.157 -10.546 602 HA GLU 73 HA GLU 73 -4.183 -8.714 -11.362 603 HB2 GLU 73 2HB GLU 73 -4.817 -5.820 -11.935 604 HB3 GLU 73 1HB GLU 73 -5.701 -7.104 -12.742 605 HG2 GLU 73 2HG GLU 73 -5.392 -7.068 -9.743 606 HG3 GLU 73 1HG GLU 73 -6.702 -6.200 -10.546 607 H ASN 74 H ASN 74 -2.600 -6.022 -13.061 608 HA ASN 74 HA ASN 74 -2.594 -7.187 -15.651 609 HB2 ASN 74 2HB ASN 74 -1.260 -5.009 -14.152 610 HB3 ASN 74 1HB ASN 74 -0.364 -5.603 -15.552 611 HD21 ASN 74 1HD2 ASN 74 -3.477 -4.165 -14.563 612 HD22 ASN 74 2HD2 ASN 74 -3.909 -3.629 -16.114 613 H TYR 75 H TYR 75 -0.406 -7.402 -12.866 614 HA TYR 75 HA TYR 75 1.613 -8.971 -14.252 615 HB2 TYR 75 2HB TYR 75 1.394 -7.483 -11.967 616 HB3 TYR 75 1HB TYR 75 1.337 -9.118 -11.322 617 HD1 TYR 75 2HD TYR 75 3.260 -6.836 -13.522 618 HD2 TYR 75 1HD TYR 75 3.327 -10.471 -11.235 619 HE1 TYR 75 2HE TYR 75 5.709 -7.014 -13.878 620 HE2 TYR 75 1HE TYR 75 5.775 -10.651 -11.594 621 HH TYR 75 HH TYR 75 7.427 -9.710 -13.510 622 H GLY 76 H GLY 76 -1.109 -9.707 -12.073 623 HA2 GLY 76 2HA GLY 76 -2.383 -11.785 -12.546 624 HA3 GLY 76 1HA GLY 76 -0.829 -12.547 -12.840 625 H ALA 77 H ALA 77 -1.071 -10.295 -10.207 626 HA ALA 77 HA ALA 77 -0.641 -12.545 -8.302 627 HB1 ALA 77 1HB ALA 77 -0.344 -9.532 -8.069 628 HB2 ALA 77 2HB ALA 77 0.960 -10.670 -8.407 629 HB3 ALA 77 3HB ALA 77 0.149 -10.700 -6.842 630 H ARG 78 H ARG 78 -2.129 -13.003 -6.685 631 HA ARG 78 HA ARG 78 -4.574 -11.262 -6.552 632 HB2 ARG 78 2HB ARG 78 -4.975 -13.443 -7.577 633 HB3 ARG 78 1HB ARG 78 -4.193 -14.255 -6.221 634 HG2 ARG 78 2HG ARG 78 -5.957 -13.094 -4.741 635 HG3 ARG 78 1HG ARG 78 -6.818 -12.764 -6.245 636 HD2 ARG 78 2HD ARG 78 -6.730 -15.234 -6.761 637 HD3 ARG 78 1HD ARG 78 -6.071 -15.490 -5.133 638 HE ARG 78 HE ARG 78 -8.349 -13.859 -4.820 639 HH11 ARG 78 1HH2 ARG 78 -7.425 -16.994 -4.412 640 HH12 ARG 78 2HH2 ARG 78 -8.983 -17.705 -4.671 641 HH21 ARG 78 1HH1 ARG 78 -10.425 -14.773 -5.834 642 HH22 ARG 78 2HH1 ARG 78 -10.680 -16.449 -5.475 643 H VAL 79 H VAL 79 -4.747 -10.249 -4.580 644 HA VAL 79 HA VAL 79 -3.112 -11.107 -2.306 645 HB VAL 79 HB VAL 79 -5.271 -9.011 -2.239 646 HG11 VAL 79 1HG1 VAL 79 -3.563 -9.733 -0.354 647 HG12 VAL 79 2HG1 VAL 79 -3.951 -8.030 -0.602 648 HG13 VAL 79 3HG1 VAL 79 -2.457 -8.699 -1.260 649 HG21 VAL 79 3HG2 VAL 79 -4.385 -8.241 -4.223 650 HG22 VAL 79 1HG2 VAL 79 -2.836 -9.045 -3.964 651 HG23 VAL 79 2HG2 VAL 79 -3.201 -7.541 -3.118 652 H GLU 80 H GLU 80 -3.843 -12.499 -0.750 653 HA GLU 80 HA GLU 80 -6.627 -13.431 -0.792 654 HB2 GLU 80 2HB GLU 80 -5.341 -15.226 -0.213 655 HB3 GLU 80 1HB GLU 80 -3.987 -14.197 0.248 656 HG2 GLU 80 2HG GLU 80 -5.097 -13.741 2.421 657 HG3 GLU 80 1HG GLU 80 -6.411 -14.826 1.962 658 H LYS 81 H LYS 81 -4.794 -10.988 0.751 659 HA LYS 81 HA LYS 81 -6.959 -10.524 2.761 660 HB2 LYS 81 2HB LYS 81 -5.150 -9.961 4.281 661 HB3 LYS 81 1HB LYS 81 -4.783 -11.520 3.541 662 HG2 LYS 81 2HG LYS 81 -2.775 -10.551 3.076 663 HG3 LYS 81 1HG LYS 81 -3.661 -9.846 1.719 664 HD2 LYS 81 2HD LYS 81 -2.578 -8.010 2.806 665 HD3 LYS 81 1HD LYS 81 -4.268 -7.929 3.304 666 HE2 LYS 81 2HE LYS 81 -2.862 -9.658 5.124 667 HE3 LYS 81 1HE LYS 81 -1.994 -8.115 4.996 668 HZ1 LYS 81 3HZ LYS 81 -4.774 -8.617 5.812 669 HZ2 LYS 81 1HZ LYS 81 -4.403 -7.155 5.036 670 HZ3 LYS 81 2HZ LYS 81 -3.627 -7.564 6.491 671 H VAL 82 H VAL 82 -7.826 -8.446 2.547 672 HA VAL 82 HA VAL 82 -6.082 -6.302 1.430 673 HB VAL 82 HB VAL 82 -8.243 -5.685 0.104 674 HG11 VAL 82 1HG1 VAL 82 -5.957 -6.758 -0.651 675 HG12 VAL 82 2HG1 VAL 82 -7.323 -6.718 -1.766 676 HG13 VAL 82 3HG1 VAL 82 -6.947 -8.200 -0.886 677 HG21 VAL 82 3HG2 VAL 82 -9.879 -7.280 -0.173 678 HG22 VAL 82 1HG2 VAL 82 -9.362 -7.716 1.456 679 HG23 VAL 82 2HG2 VAL 82 -8.759 -8.620 0.067 680 H GLU 83 H GLU 83 -6.074 -4.897 3.181 681 HA GLU 83 HA GLU 83 -8.752 -4.114 4.296 682 HB2 GLU 83 2HB GLU 83 -6.124 -4.805 5.589 683 HB3 GLU 83 1HB GLU 83 -7.220 -3.688 6.403 684 HG2 GLU 83 2HG GLU 83 -7.856 -5.795 7.248 685 HG3 GLU 83 1HG GLU 83 -9.037 -5.489 5.973 686 H GLU 84 H GLU 84 -9.019 -2.103 3.313 687 HA GLU 84 HA GLU 84 -6.737 -0.225 3.238 688 HB2 GLU 84 2HB GLU 84 -9.471 0.108 1.995 689 HB3 GLU 84 1HB GLU 84 -7.952 0.851 1.494 690 HG2 GLU 84 2HG GLU 84 -7.722 -0.839 0.020 691 HG3 GLU 84 1HG GLU 84 -7.451 -1.902 1.403 692 H LEU 85 H LEU 85 -6.667 0.837 5.231 693 HA LEU 85 HA LEU 85 -9.251 1.832 6.361 694 HB2 LEU 85 2HB LEU 85 -6.524 1.791 7.663 695 HB3 LEU 85 1HB LEU 85 -8.100 1.821 8.450 696 HG LEU 85 HG LEU 85 -7.042 -0.473 6.771 697 HD11 LEU 85 1HD1 LEU 85 -7.050 0.101 9.715 698 HD12 LEU 85 2HD1 LEU 85 -5.801 -0.660 8.729 699 HD13 LEU 85 3HD1 LEU 85 -7.250 -1.564 9.167 700 HD21 LEU 85 3HD2 LEU 85 -9.161 -1.234 6.781 701 HD22 LEU 85 1HD2 LEU 85 -9.674 0.268 7.552 702 HD23 LEU 85 2HD2 LEU 85 -9.213 -1.118 8.541 703 H GLY 86 H GLY 86 -5.871 3.012 6.386 704 HA2 GLY 86 2HA GLY 86 -5.025 5.179 6.097 705 HA3 GLY 86 1HA GLY 86 -6.250 5.340 4.838 706 H LEU 87 H LEU 87 -6.573 4.924 8.355 707 HA LEU 87 HA LEU 87 -7.272 7.605 8.954 708 HB2 LEU 87 2HB LEU 87 -9.788 7.213 9.096 709 HB3 LEU 87 1HB LEU 87 -9.135 7.280 7.459 710 HG LEU 87 HG LEU 87 -8.885 4.687 7.728 711 HD11 LEU 87 1HD1 LEU 87 -10.696 5.478 9.991 712 HD12 LEU 87 2HD1 LEU 87 -9.414 4.267 9.964 713 HD13 LEU 87 3HD1 LEU 87 -10.952 3.941 9.167 714 HD21 LEU 87 3HD2 LEU 87 -11.361 6.305 7.216 715 HD22 LEU 87 1HD2 LEU 87 -11.474 4.546 7.203 716 HD23 LEU 87 2HD2 LEU 87 -10.390 5.367 6.080 717 H ARG 88 H ARG 88 -5.808 5.619 10.244 718 HA ARG 88 HA ARG 88 -7.477 5.013 12.617 719 HB2 ARG 88 2HB ARG 88 -5.156 3.523 11.372 720 HB3 ARG 88 1HB ARG 88 -5.933 3.057 12.885 721 HG2 ARG 88 2HG ARG 88 -8.004 3.456 10.984 722 HG3 ARG 88 1HG ARG 88 -6.769 2.472 10.201 723 HD2 ARG 88 2HD ARG 88 -8.393 1.038 11.407 724 HD3 ARG 88 1HD ARG 88 -6.792 0.928 12.165 725 HE ARG 88 HE ARG 88 -7.713 2.859 13.678 726 HH11 ARG 88 1HH1 ARG 88 -10.475 2.701 12.497 727 HH12 ARG 88 2HH1 ARG 88 -11.285 1.663 13.623 728 HH21 ARG 88 1HH2 ARG 88 -8.356 0.483 15.052 729 HH22 ARG 88 2HH2 ARG 88 -10.086 0.408 15.067 730 H ARG 89 H ARG 89 -6.847 6.216 14.370 731 HA ARG 89 HA ARG 89 -4.162 7.476 14.368 732 HB2 ARG 89 2HB ARG 89 -5.169 8.713 16.304 733 HB3 ARG 89 1HB ARG 89 -6.136 8.833 14.833 734 HG2 ARG 89 2HG ARG 89 -6.913 6.476 16.295 735 HG3 ARG 89 1HG ARG 89 -6.970 7.877 17.366 736 HD2 ARG 89 2HD ARG 89 -8.235 9.078 15.469 737 HD3 ARG 89 1HD ARG 89 -8.447 7.465 14.758 738 HE ARG 89 HE ARG 89 -9.516 6.783 16.925 739 HH11 ARG 89 1HH2 ARG 89 -8.559 10.011 17.112 740 HH12 ARG 89 2HH2 ARG 89 -10.057 10.594 17.757 741 HH21 ARG 89 1HH1 ARG 89 -11.711 7.572 17.356 742 HH22 ARG 89 2HH1 ARG 89 -11.843 9.213 17.895 743 H LEU 90 H LEU 90 -2.581 6.138 15.178 744 HA LEU 90 HA LEU 90 -3.171 4.166 17.288 745 HB2 LEU 90 2HB LEU 90 -0.898 3.473 16.851 746 HB3 LEU 90 1HB LEU 90 -1.621 3.874 15.291 747 HG LEU 90 HG LEU 90 -0.666 6.274 15.788 748 HD11 LEU 90 1HD1 LEU 90 0.749 6.489 17.530 749 HD12 LEU 90 2HD1 LEU 90 1.651 5.053 17.046 750 HD13 LEU 90 3HD1 LEU 90 0.219 4.892 18.062 751 HD21 LEU 90 3HD2 LEU 90 1.601 5.428 14.846 752 HD22 LEU 90 1HD2 LEU 90 0.148 5.121 13.893 753 HD23 LEU 90 2HD2 LEU 90 0.850 3.832 14.871 754 H ALA 91 H ALA 91 -2.232 4.257 19.416 755 HA ALA 91 HA ALA 91 -1.316 6.994 20.234 756 HB1 ALA 91 1HB ALA 91 -3.079 4.887 21.445 757 HB2 ALA 91 2HB ALA 91 -3.360 6.622 21.300 758 HB3 ALA 91 3HB ALA 91 -2.232 6.009 22.508 759 H TYR 92 H TYR 92 -1.212 4.205 22.339 760 HA TYR 92 HA TYR 92 1.727 4.497 22.568 761 HB2 TYR 92 2HB TYR 92 -0.298 2.804 24.070 762 HB3 TYR 92 1HB TYR 92 1.368 3.104 24.564 763 HD1 TYR 92 2HD TYR 92 2.016 5.728 24.551 764 HD2 TYR 92 1HD TYR 92 -1.938 4.128 25.060 765 HE1 TYR 92 2HE TYR 92 1.312 7.824 25.674 766 HE2 TYR 92 1HE TYR 92 -2.641 6.224 26.183 767 HH TYR 92 HH TYR 92 -1.408 8.100 27.508 768 HA PRO 93 HA PRO 93 2.590 0.896 20.205 769 HB2 PRO 93 2HB PRO 93 4.890 0.050 21.425 770 HB3 PRO 93 1HB PRO 93 4.825 1.475 20.369 771 HG2 PRO 93 2HG PRO 93 4.861 1.319 23.336 772 HG3 PRO 93 1HG PRO 93 5.636 2.488 22.257 773 HD2 PRO 93 2HD PRO 93 3.330 2.988 23.641 774 HD3 PRO 93 1HD PRO 93 3.767 3.793 22.119 775 H ILE 94 H ILE 94 0.676 -0.275 21.087 776 HA ILE 94 HA ILE 94 1.289 -2.137 23.341 777 HB ILE 94 HB ILE 94 -0.755 -0.557 23.195 778 HG12 ILE 94 2HG1 ILE 94 -0.472 -2.565 24.727 779 HG13 ILE 94 1HG1 ILE 94 -2.143 -2.140 24.356 780 HG21 ILE 94 1HG2 ILE 94 -2.611 -1.277 21.841 781 HG22 ILE 94 2HG2 ILE 94 -1.764 -2.749 21.363 782 HG23 ILE 94 3HG2 ILE 94 -1.205 -1.182 20.780 783 HD11 ILE 94 3HD1 ILE 94 -0.739 -4.606 23.812 784 HD12 ILE 94 1HD1 ILE 94 -1.320 -3.901 22.306 785 HD13 ILE 94 2HD1 ILE 94 -2.452 -4.240 23.612 786 H ALA 95 H ALA 95 1.884 -4.189 22.768 787 HA ALA 95 HA ALA 95 1.162 -5.169 20.037 788 HB1 ALA 95 1HB ALA 95 3.282 -5.940 22.065 789 HB2 ALA 95 2HB ALA 95 3.535 -5.070 20.552 790 HB3 ALA 95 3HB ALA 95 3.053 -6.766 20.523 791 H LYS 96 H LYS 96 0.714 -7.588 19.952 792 HA LYS 96 HA LYS 96 -0.175 -8.969 22.351 793 HB2 LYS 96 2HB LYS 96 -2.601 -8.875 21.749 794 HB3 LYS 96 1HB LYS 96 -1.946 -7.287 22.148 795 HG2 LYS 96 2HG LYS 96 -2.888 -6.661 20.171 796 HG3 LYS 96 1HG LYS 96 -1.450 -7.398 19.462 797 HD2 LYS 96 2HD LYS 96 -2.587 -9.428 18.994 798 HD3 LYS 96 1HD LYS 96 -3.928 -9.017 20.064 799 HE2 LYS 96 2HE LYS 96 -4.734 -8.623 17.835 800 HE3 LYS 96 1HE LYS 96 -4.350 -7.016 18.483 801 HZ1 LYS 96 3HZ LYS 96 -2.125 -7.222 17.516 802 HZ2 LYS 96 1HZ LYS 96 -3.327 -7.295 16.321 803 HZ3 LYS 96 2HZ LYS 96 -2.554 -8.718 16.834 Start of MODEL 5 1 H1 MET 1 1HT MET 1 2.647 8.759 9.078 2 H2 MET 1 2HT MET 1 1.446 8.697 10.277 3 H3 MET 1 3HT MET 1 1.130 8.089 8.722 4 HA MET 1 HA MET 1 2.967 6.428 9.112 5 HB2 MET 1 2HB MET 1 2.804 7.999 11.645 6 HB3 MET 1 1HB MET 1 3.137 6.274 11.792 7 HG2 MET 1 2HG MET 1 5.141 6.420 10.596 8 HG3 MET 1 1HG MET 1 4.671 7.923 9.804 9 HE1 MET 1 2HE MET 1 4.860 10.593 12.433 10 HE2 MET 1 3HE MET 1 3.498 9.500 12.667 11 HE3 MET 1 1HE MET 1 4.019 9.933 11.033 12 H ASP 2 H ASP 2 2.307 4.707 11.260 13 HA ASP 2 HA ASP 2 -0.141 3.556 10.365 14 HB2 ASP 2 2HB ASP 2 0.595 1.853 11.681 15 HB3 ASP 2 1HB ASP 2 2.038 2.840 11.875 16 HA PRO 3 HA PRO 3 -2.127 5.522 14.230 17 HB2 PRO 3 2HB PRO 3 -0.910 7.710 15.329 18 HB3 PRO 3 1HB PRO 3 -0.560 6.049 15.845 19 HG2 PRO 3 2HG PRO 3 1.028 7.875 14.150 20 HG3 PRO 3 1HG PRO 3 1.561 6.591 15.243 21 HD2 PRO 3 2HD PRO 3 1.412 6.425 12.467 22 HD3 PRO 3 1HD PRO 3 1.572 5.055 13.583 23 H GLN 4 H GLN 4 -1.013 6.902 11.439 24 HA GLN 4 HA GLN 4 -3.345 8.500 10.988 25 HB2 GLN 4 2HB GLN 4 -2.082 10.726 11.075 26 HB3 GLN 4 1HB GLN 4 -2.468 9.992 12.633 27 HG2 GLN 4 2HG GLN 4 -0.284 9.860 13.157 28 HG3 GLN 4 1HG GLN 4 0.042 8.951 11.682 29 HE21 GLN 4 1HE2 GLN 4 -0.330 10.701 9.636 30 HE22 GLN 4 2HE2 GLN 4 0.642 12.082 9.810 31 H GLY 5 H GLY 5 -3.461 8.192 8.809 32 HA2 GLY 5 2HA GLY 5 -2.493 9.108 6.662 33 HA3 GLY 5 1HA GLY 5 -0.947 8.478 7.223 34 H TYR 6 H TYR 6 -0.726 6.115 7.388 35 HA TYR 6 HA TYR 6 -2.490 4.735 5.403 36 HB2 TYR 6 2HB TYR 6 -0.563 3.560 4.748 37 HB3 TYR 6 1HB TYR 6 0.060 5.163 5.131 38 HD1 TYR 6 2HD TYR 6 1.258 5.572 7.274 39 HD2 TYR 6 1HD TYR 6 -0.022 1.640 6.111 40 HE1 TYR 6 2HE TYR 6 2.760 4.578 8.980 41 HE2 TYR 6 1HE TYR 6 1.481 0.646 7.815 42 HH TYR 6 HH TYR 6 3.944 2.312 9.287 43 H PHE 7 H PHE 7 -3.280 2.669 5.858 44 HA PHE 7 HA PHE 7 -2.627 1.299 8.336 45 HB2 PHE 7 2HB PHE 7 -4.622 3.259 8.296 46 HB3 PHE 7 1HB PHE 7 -5.512 1.746 8.146 47 HD1 PHE 7 2HD PHE 7 -2.254 2.059 9.916 48 HD2 PHE 7 1HD PHE 7 -6.522 1.777 10.327 49 HE1 PHE 7 2HE PHE 7 -1.993 1.642 12.343 50 HE2 PHE 7 1HE PHE 7 -6.259 1.368 12.756 51 HZ PHE 7 HZ PHE 7 -3.996 1.298 13.765 52 H LEU 8 H LEU 8 -2.182 0.413 5.801 53 HA LEU 8 HA LEU 8 -4.340 -1.551 5.343 54 HB2 LEU 8 2HB LEU 8 -2.607 -0.257 3.247 55 HB3 LEU 8 1HB LEU 8 -4.063 -1.218 2.981 56 HG LEU 8 HG LEU 8 -4.886 0.793 4.731 57 HD11 LEU 8 1HD1 LEU 8 -3.552 2.241 2.488 58 HD12 LEU 8 2HD1 LEU 8 -2.549 1.764 3.857 59 HD13 LEU 8 3HD1 LEU 8 -3.949 2.805 4.111 60 HD21 LEU 8 3HD2 LEU 8 -5.084 0.563 1.711 61 HD22 LEU 8 1HD2 LEU 8 -6.080 1.639 2.693 62 HD23 LEU 8 2HD2 LEU 8 -6.207 -0.109 2.892 63 H TRP 9 H TRP 9 -3.721 -3.645 5.118 64 HA TRP 9 HA TRP 9 -0.793 -4.238 4.845 65 HB2 TRP 9 2HB TRP 9 -1.947 -4.548 7.142 66 HB3 TRP 9 1HB TRP 9 -2.818 -5.882 6.386 67 HD1 TRP 9 HD TRP 9 -0.135 -6.565 4.518 68 HE1 TRP 9 1HE TRP 9 1.708 -7.976 5.644 69 HE3 TRP 9 3HE TRP 9 -1.327 -5.819 9.429 70 HZ2 TRP 9 2HZ TRP 9 2.560 -8.691 8.277 71 HZ3 TRP 9 3HZ TRP 9 0.014 -6.878 11.223 72 HH2 TRP 9 HH TRP 9 1.956 -8.310 10.654 73 H TYR 10 H TYR 10 -0.518 -5.282 2.892 74 HA TYR 10 HA TYR 10 -2.762 -7.024 1.920 75 HB2 TYR 10 2HB TYR 10 -1.271 -4.790 0.763 76 HB3 TYR 10 1HB TYR 10 -1.288 -6.206 -0.288 77 HD1 TYR 10 1HD TYR 10 -3.857 -5.011 2.157 78 HD2 TYR 10 2HD TYR 10 -2.871 -5.731 -1.962 79 HE1 TYR 10 1HE TYR 10 -6.198 -4.510 1.509 80 HE2 TYR 10 2HE TYR 10 -5.211 -5.226 -2.609 81 HH TYR 10 HH TYR 10 -7.408 -3.726 -0.540 82 H GLN 11 H GLN 11 -2.202 -9.054 1.190 83 HA GLN 11 HA GLN 11 0.671 -9.764 1.151 84 HB2 GLN 11 2HB GLN 11 -0.894 -10.574 3.062 85 HB3 GLN 11 1HB GLN 11 -1.575 -11.645 1.839 86 HG2 GLN 11 2HG GLN 11 0.524 -12.742 1.497 87 HG3 GLN 11 1HG GLN 11 1.391 -11.514 2.422 88 HE21 GLN 11 1HE2 GLN 11 2.131 -13.461 3.754 89 HE22 GLN 11 2HE2 GLN 11 1.108 -14.017 4.989 90 H VAL 12 H VAL 12 1.202 -11.512 -0.413 91 HA VAL 12 HA VAL 12 -0.873 -11.830 -2.549 92 HB VAL 12 HB VAL 12 0.872 -11.468 -4.205 93 HG11 VAL 12 1HG1 VAL 12 -0.004 -9.545 -2.318 94 HG12 VAL 12 2HG1 VAL 12 0.502 -9.275 -3.985 95 HG13 VAL 12 3HG1 VAL 12 1.685 -9.190 -2.676 96 HG21 VAL 12 3HG2 VAL 12 2.670 -11.427 -1.775 97 HG22 VAL 12 1HG2 VAL 12 3.161 -10.689 -3.302 98 HG23 VAL 12 2HG2 VAL 12 2.818 -12.419 -3.226 99 H GLU 13 H GLU 13 -0.018 -13.601 -4.142 100 HA GLU 13 HA GLU 13 1.218 -15.832 -2.569 101 HB2 GLU 13 2HB GLU 13 -0.493 -17.239 -3.908 102 HB3 GLU 13 1HB GLU 13 -1.110 -16.279 -2.565 103 HG2 GLU 13 2HG GLU 13 -1.859 -14.540 -4.072 104 HG3 GLU 13 1HG GLU 13 -1.075 -15.325 -5.443 105 H MET 14 H MET 14 2.806 -14.345 -4.202 106 HA MET 14 HA MET 14 3.203 -16.125 -6.579 107 HB2 MET 14 2HB MET 14 3.618 -13.121 -6.486 108 HB3 MET 14 1HB MET 14 3.608 -14.153 -7.918 109 HG2 MET 14 2HG MET 14 1.232 -13.714 -6.090 110 HG3 MET 14 1HG MET 14 1.471 -12.913 -7.642 111 HE1 MET 14 3HE MET 14 2.089 -15.090 -10.030 112 HE2 MET 14 1HE MET 14 1.299 -13.565 -9.603 113 HE3 MET 14 2HE MET 14 0.346 -14.913 -10.217 114 HA PRO 15 HA PRO 15 7.307 -16.462 -5.048 115 HB2 PRO 15 2HB PRO 15 8.699 -16.755 -7.380 116 HB3 PRO 15 1HB PRO 15 7.749 -18.032 -6.641 117 HG2 PRO 15 2HG PRO 15 7.080 -16.247 -8.914 118 HG3 PRO 15 1HG PRO 15 6.683 -17.958 -8.681 119 HD2 PRO 15 2HD PRO 15 4.886 -15.946 -8.305 120 HD3 PRO 15 1HD PRO 15 4.818 -17.491 -7.429 121 H GLU 16 H GLU 16 9.624 -15.820 -6.036 122 HA GLU 16 HA GLU 16 10.023 -13.057 -5.547 123 HB2 GLU 16 2HB GLU 16 11.597 -15.152 -5.603 124 HB3 GLU 16 1HB GLU 16 11.765 -14.766 -7.314 125 HG2 GLU 16 2HG GLU 16 13.115 -13.000 -6.886 126 HG3 GLU 16 1HG GLU 16 12.067 -12.414 -5.595 127 H ASP 17 H ASP 17 9.215 -14.916 -8.370 128 HA ASP 17 HA ASP 17 9.902 -13.118 -10.449 129 HB2 ASP 17 2HB ASP 17 9.051 -15.547 -10.477 130 HB3 ASP 17 1HB ASP 17 7.434 -14.854 -10.370 131 H ARG 18 H ARG 18 7.363 -12.965 -8.076 132 HA ARG 18 HA ARG 18 5.744 -11.030 -9.602 133 HB2 ARG 18 2HB ARG 18 4.214 -11.305 -7.798 134 HB3 ARG 18 1HB ARG 18 4.952 -12.889 -8.021 135 HG2 ARG 18 2HG ARG 18 5.603 -12.850 -5.873 136 HG3 ARG 18 1HG ARG 18 6.636 -11.469 -6.238 137 HD2 ARG 18 2HD ARG 18 3.785 -11.449 -5.216 138 HD3 ARG 18 1HD ARG 18 5.212 -10.668 -4.511 139 HE ARG 18 HE ARG 18 5.227 -9.152 -6.502 140 HH11 ARG 18 1HH2 ARG 18 2.547 -9.157 -4.841 141 HH12 ARG 18 2HH2 ARG 18 1.417 -8.953 -6.137 142 HH21 ARG 18 1HH1 ARG 18 3.723 -9.706 -8.614 143 HH22 ARG 18 2HH1 ARG 18 2.083 -9.264 -8.272 144 H VAL 19 H VAL 19 8.381 -10.951 -7.374 145 HA VAL 19 HA VAL 19 8.027 -8.611 -5.893 146 HB VAL 19 HB VAL 19 10.514 -9.486 -7.399 147 HG11 VAL 19 1HG1 VAL 19 9.976 -7.687 -5.049 148 HG12 VAL 19 2HG1 VAL 19 11.044 -7.423 -6.428 149 HG13 VAL 19 3HG1 VAL 19 11.508 -8.554 -5.157 150 HG21 VAL 19 3HG2 VAL 19 8.971 -10.960 -5.588 151 HG22 VAL 19 1HG2 VAL 19 10.280 -10.300 -4.608 152 HG23 VAL 19 2HG2 VAL 19 10.648 -11.278 -6.029 153 H ASN 20 H ASN 20 9.177 -8.873 -9.265 154 HA ASN 20 HA ASN 20 9.658 -6.143 -9.804 155 HB2 ASN 20 2HB ASN 20 9.413 -8.628 -11.175 156 HB3 ASN 20 1HB ASN 20 8.421 -7.456 -12.045 157 HD21 ASN 20 1HD2 ASN 20 10.806 -8.437 -13.234 158 HD22 ASN 20 2HD2 ASN 20 11.945 -7.180 -13.299 159 H ASP 21 H ASP 21 6.631 -7.917 -9.555 160 HA ASP 21 HA ASP 21 4.886 -6.120 -10.865 161 HB2 ASP 21 2HB ASP 21 4.531 -8.488 -9.914 162 HB3 ASP 21 1HB ASP 21 4.254 -7.691 -8.367 163 H LEU 22 H LEU 22 5.807 -6.317 -7.419 164 HA LEU 22 HA LEU 22 4.300 -4.078 -6.510 165 HB2 LEU 22 2HB LEU 22 6.835 -5.477 -5.666 166 HB3 LEU 22 1HB LEU 22 6.259 -4.069 -4.774 167 HG LEU 22 HG LEU 22 5.359 -6.061 -3.719 168 HD11 LEU 22 1HD1 LEU 22 3.838 -3.934 -4.655 169 HD12 LEU 22 2HD1 LEU 22 3.332 -5.101 -3.434 170 HD13 LEU 22 3HD1 LEU 22 2.895 -5.348 -5.126 171 HD21 LEU 22 3HD2 LEU 22 5.581 -7.434 -5.871 172 HD22 LEU 22 1HD2 LEU 22 4.031 -6.741 -6.352 173 HD23 LEU 22 2HD2 LEU 22 4.138 -7.741 -4.903 174 H ALA 23 H ALA 23 7.519 -4.274 -7.994 175 HA ALA 23 HA ALA 23 8.403 -1.628 -7.593 176 HB1 ALA 23 1HB ALA 23 9.028 -3.948 -9.178 177 HB2 ALA 23 2HB ALA 23 10.096 -2.622 -8.717 178 HB3 ALA 23 3HB ALA 23 9.143 -2.513 -10.196 179 H ARG 24 H ARG 24 6.610 -2.982 -10.386 180 HA ARG 24 HA ARG 24 6.157 -0.475 -11.677 181 HB2 ARG 24 2HB ARG 24 4.919 -3.226 -11.760 182 HB3 ARG 24 1HB ARG 24 4.305 -1.923 -12.778 183 HG2 ARG 24 2HG ARG 24 6.472 -1.641 -13.827 184 HG3 ARG 24 1HG ARG 24 7.205 -2.800 -12.717 185 HD2 ARG 24 2HD ARG 24 5.595 -4.545 -13.619 186 HD3 ARG 24 1HD ARG 24 5.145 -3.370 -14.872 187 HE ARG 24 HE ARG 24 8.015 -4.092 -14.465 188 HH11 ARG 24 1HH1 ARG 24 5.280 -4.931 -16.242 189 HH12 ARG 24 2HH1 ARG 24 6.030 -4.775 -17.795 190 HH21 ARG 24 1HH2 ARG 24 8.959 -3.409 -16.539 191 HH22 ARG 24 2HH2 ARG 24 8.113 -3.914 -17.964 192 H GLU 25 H GLU 25 4.173 -2.457 -9.475 193 HA GLU 25 HA GLU 25 1.826 -0.912 -9.437 194 HB2 GLU 25 2HB GLU 25 2.293 -3.155 -8.385 195 HB3 GLU 25 1HB GLU 25 3.180 -2.315 -7.116 196 HG2 GLU 25 2HG GLU 25 0.649 -1.021 -7.435 197 HG3 GLU 25 1HG GLU 25 0.368 -2.757 -7.286 198 H LEU 26 H LEU 26 4.776 -0.628 -7.486 199 HA LEU 26 HA LEU 26 3.943 1.596 -5.878 200 HB2 LEU 26 2HB LEU 26 6.664 0.604 -6.792 201 HB3 LEU 26 1HB LEU 26 6.414 1.765 -5.489 202 HG LEU 26 HG LEU 26 4.959 -0.859 -5.414 203 HD11 LEU 26 1HD1 LEU 26 7.520 -1.121 -5.841 204 HD12 LEU 26 2HD1 LEU 26 6.796 -2.018 -4.507 205 HD13 LEU 26 3HD1 LEU 26 7.693 -0.534 -4.187 206 HD21 LEU 26 3HD2 LEU 26 5.968 -0.069 -2.906 207 HD22 LEU 26 1HD2 LEU 26 4.307 0.094 -3.475 208 HD23 LEU 26 2HD2 LEU 26 5.446 1.424 -3.688 209 H ARG 27 H ARG 27 5.648 1.399 -9.006 210 HA ARG 27 HA ARG 27 6.278 4.190 -9.197 211 HB2 ARG 27 2HB ARG 27 7.174 3.557 -11.220 212 HB3 ARG 27 1HB ARG 27 6.994 1.962 -10.497 213 HG2 ARG 27 2HG ARG 27 5.986 1.604 -12.554 214 HG3 ARG 27 1HG ARG 27 4.587 2.097 -11.609 215 HD2 ARG 27 2HD ARG 27 4.261 3.800 -13.062 216 HD3 ARG 27 1HD ARG 27 5.823 4.480 -12.566 217 HE ARG 27 HE ARG 27 6.892 3.096 -14.320 218 HH11 ARG 27 1HH1 ARG 27 3.693 2.114 -14.168 219 HH12 ARG 27 2HH1 ARG 27 3.407 2.171 -15.875 220 HH21 ARG 27 1HH2 ARG 27 6.433 3.700 -16.599 221 HH22 ARG 27 2HH2 ARG 27 4.956 3.068 -17.250 222 H ILE 28 H ILE 28 3.365 2.385 -10.241 223 HA ILE 28 HA ILE 28 2.229 4.477 -11.790 224 HB ILE 28 HB ILE 28 0.950 2.245 -10.187 225 HG12 ILE 28 2HG1 ILE 28 1.919 2.391 -13.061 226 HG13 ILE 28 1HG1 ILE 28 2.638 1.426 -11.772 227 HG21 ILE 28 1HG2 ILE 28 -0.545 4.140 -11.024 228 HG22 ILE 28 2HG2 ILE 28 -0.967 2.522 -11.585 229 HG23 ILE 28 3HG2 ILE 28 -0.109 3.633 -12.654 230 HD11 ILE 28 3HD1 ILE 28 1.093 -0.209 -12.000 231 HD12 ILE 28 1HD1 ILE 28 0.657 0.569 -13.522 232 HD13 ILE 28 2HD1 ILE 28 -0.234 0.952 -12.048 233 H ARG 29 H ARG 29 1.760 3.602 -8.345 234 HA ARG 29 HA ARG 29 0.046 5.963 -7.923 235 HB2 ARG 29 2HB ARG 29 0.001 5.040 -5.600 236 HB3 ARG 29 1HB ARG 29 -0.441 3.844 -6.818 237 HG2 ARG 29 2HG ARG 29 1.429 2.590 -6.451 238 HG3 ARG 29 1HG ARG 29 2.448 4.006 -6.188 239 HD2 ARG 29 2HD ARG 29 2.376 3.316 -3.995 240 HD3 ARG 29 1HD ARG 29 0.802 4.136 -3.998 241 HE ARG 29 HE ARG 29 0.183 1.659 -5.012 242 HH11 ARG 29 1HH2 ARG 29 -0.641 2.475 -2.242 243 HH12 ARG 29 2HH2 ARG 29 0.084 1.236 -1.272 244 HH21 ARG 29 1HH1 ARG 29 2.238 0.170 -3.770 245 HH22 ARG 29 2HH1 ARG 29 1.713 -0.068 -2.137 246 H ASP 30 H ASP 30 1.793 7.552 -8.536 247 HA ASP 30 HA ASP 30 4.198 7.800 -6.941 248 HB2 ASP 30 2HB ASP 30 4.460 9.844 -8.188 249 HB3 ASP 30 1HB ASP 30 3.709 8.682 -9.282 250 H ASN 31 H ASN 31 0.886 8.889 -6.567 251 HA ASN 31 HA ASN 31 1.242 11.063 -4.772 252 HB2 ASN 31 2HB ASN 31 -0.862 10.364 -5.904 253 HB3 ASN 31 1HB ASN 31 -0.933 8.945 -4.857 254 HD21 ASN 31 1HD2 ASN 31 -1.375 9.302 -2.548 255 HD22 ASN 31 2HD2 ASN 31 -2.028 10.771 -2.003 256 H VAL 32 H VAL 32 1.903 7.722 -4.334 257 HA VAL 32 HA VAL 32 1.499 7.635 -1.441 258 HB VAL 32 HB VAL 32 1.462 5.773 -3.279 259 HG11 VAL 32 1HG1 VAL 32 3.921 6.515 -3.874 260 HG12 VAL 32 2HG1 VAL 32 3.487 4.807 -3.916 261 HG13 VAL 32 3HG1 VAL 32 4.352 5.463 -2.526 262 HG21 VAL 32 3HG2 VAL 32 2.944 4.441 -1.286 263 HG22 VAL 32 1HG2 VAL 32 1.191 4.617 -1.370 264 HG23 VAL 32 2HG2 VAL 32 2.153 5.792 -0.473 265 H ARG 33 H ARG 33 3.011 8.183 0.109 266 HA ARG 33 HA ARG 33 5.486 9.489 -0.720 267 HB2 ARG 33 2HB ARG 33 3.688 9.552 1.422 268 HB3 ARG 33 1HB ARG 33 5.186 8.930 2.119 269 HG2 ARG 33 2HG ARG 33 6.434 10.825 1.372 270 HG3 ARG 33 1HG ARG 33 5.117 11.367 0.331 271 HD2 ARG 33 2HD ARG 33 3.708 11.712 2.391 272 HD3 ARG 33 1HD ARG 33 5.142 11.346 3.370 273 HE ARG 33 HE ARG 33 5.480 13.413 1.282 274 HH11 ARG 33 1HH1 ARG 33 6.930 12.711 4.018 275 HH12 ARG 33 2HH1 ARG 33 6.588 14.171 4.885 276 HH21 ARG 33 1HH2 ARG 33 4.182 15.258 2.638 277 HH22 ARG 33 2HH2 ARG 33 5.034 15.611 4.105 278 H ARG 34 H ARG 34 4.744 6.496 1.168 279 HA ARG 34 HA ARG 34 7.380 5.427 0.309 280 HB2 ARG 34 2HB ARG 34 6.658 6.459 2.987 281 HB3 ARG 34 1HB ARG 34 7.485 4.900 2.983 282 HG2 ARG 34 2HG ARG 34 9.189 5.961 1.403 283 HG3 ARG 34 1HG ARG 34 8.452 7.512 1.804 284 HD2 ARG 34 2HD ARG 34 8.843 6.929 4.262 285 HD3 ARG 34 1HD ARG 34 9.857 5.593 3.681 286 HE ARG 34 HE ARG 34 11.493 7.250 3.317 287 HH11 ARG 34 1HH1 ARG 34 8.851 9.074 4.037 288 HH12 ARG 34 2HH1 ARG 34 9.163 10.350 2.907 289 HH21 ARG 34 1HH2 ARG 34 11.687 8.632 1.261 290 HH22 ARG 34 2HH2 ARG 34 10.768 10.099 1.335 291 H VAL 35 H VAL 35 7.186 3.281 -0.100 292 HA VAL 35 HA VAL 35 4.980 1.745 1.229 293 HB VAL 35 HB VAL 35 6.125 1.178 -1.511 294 HG11 VAL 35 1HG1 VAL 35 4.471 -0.361 -1.619 295 HG12 VAL 35 2HG1 VAL 35 3.272 0.774 -0.997 296 HG13 VAL 35 3HG1 VAL 35 4.295 -0.128 0.119 297 HG21 VAL 35 3HG2 VAL 35 4.445 3.441 -0.671 298 HG22 VAL 35 1HG2 VAL 35 3.730 2.481 -1.966 299 HG23 VAL 35 2HG2 VAL 35 5.328 3.197 -2.178 300 H MET 36 H MET 36 5.679 -0.166 2.220 301 HA MET 36 HA MET 36 8.490 -0.977 1.735 302 HB2 MET 36 2HB MET 36 6.931 -0.331 4.133 303 HB3 MET 36 1HB MET 36 7.834 -1.840 4.272 304 HG2 MET 36 2HG MET 36 9.622 -0.072 3.049 305 HG3 MET 36 1HG MET 36 8.818 0.900 4.282 306 HE1 MET 36 3HE MET 36 10.796 1.365 5.176 307 HE2 MET 36 1HE MET 36 11.833 0.372 6.210 308 HE3 MET 36 2HE MET 36 10.260 0.914 6.792 309 H VAL 37 H VAL 37 8.506 -2.920 0.678 310 HA VAL 37 HA VAL 37 6.348 -4.900 1.327 311 HB VAL 37 HB VAL 37 8.094 -4.688 -1.142 312 HG11 VAL 37 1HG1 VAL 37 6.945 -6.875 -0.611 313 HG12 VAL 37 2HG1 VAL 37 6.458 -6.151 -2.143 314 HG13 VAL 37 3HG1 VAL 37 5.406 -6.023 -0.734 315 HG21 VAL 37 3HG2 VAL 37 6.395 -3.407 -2.195 316 HG22 VAL 37 1HG2 VAL 37 6.583 -2.656 -0.610 317 HG23 VAL 37 2HG2 VAL 37 5.231 -3.747 -0.914 318 H VAL 38 H VAL 38 7.038 -6.770 2.313 319 HA VAL 38 HA VAL 38 9.965 -7.426 2.182 320 HB VAL 38 HB VAL 38 9.384 -8.521 4.456 321 HG11 VAL 38 1HG1 VAL 38 9.137 -5.973 5.388 322 HG12 VAL 38 2HG1 VAL 38 9.717 -5.667 3.751 323 HG13 VAL 38 3HG1 VAL 38 10.663 -6.673 4.847 324 HG21 VAL 38 3HG2 VAL 38 7.040 -6.613 4.226 325 HG22 VAL 38 1HG2 VAL 38 7.413 -7.684 5.577 326 HG23 VAL 38 2HG2 VAL 38 6.900 -8.360 4.032 327 H ALA 39 H ALA 39 10.379 -9.347 1.197 328 HA ALA 39 HA ALA 39 8.194 -11.152 0.445 329 HB1 ALA 39 1HB ALA 39 11.173 -11.542 0.121 330 HB2 ALA 39 2HB ALA 39 10.252 -10.453 -0.915 331 HB3 ALA 39 3HB ALA 39 9.880 -12.179 -0.894 332 H SER 40 H SER 40 8.099 -13.393 1.057 333 HA SER 40 HA SER 40 8.756 -13.912 3.844 334 HB2 SER 40 2HB SER 40 7.832 -16.206 3.129 335 HB3 SER 40 1HB SER 40 6.753 -14.831 2.925 336 HG SER 40 HG SER 40 7.928 -16.460 1.058 337 H THR 41 H THR 41 9.794 -16.292 4.197 338 HA THR 41 HA THR 41 12.443 -16.208 2.811 339 HB THR 41 HB THR 41 12.260 -15.963 5.302 340 HG1 THR 41 1HG THR 41 14.162 -16.787 4.631 341 HG21 THR 41 3HG2 THR 41 11.812 -18.741 5.899 342 HG22 THR 41 1HG2 THR 41 10.451 -18.116 4.969 343 HG23 THR 41 2HG2 THR 41 10.923 -17.332 6.476 344 H THR 42 H THR 42 9.599 -17.777 2.383 345 HA THR 42 HA THR 42 10.948 -20.145 1.222 346 HB THR 42 HB THR 42 9.093 -20.096 3.575 347 HG1 THR 42 1HG THR 42 10.530 -22.114 3.770 348 HG21 THR 42 3HG2 THR 42 9.260 -22.449 1.671 349 HG22 THR 42 1HG2 THR 42 7.880 -21.358 1.768 350 HG23 THR 42 2HG2 THR 42 8.315 -22.352 3.155 351 HA PRO 43 HA PRO 43 6.542 -20.017 -0.556 352 HB2 PRO 43 2HB PRO 43 4.677 -18.372 0.586 353 HB3 PRO 43 1HB PRO 43 4.949 -20.041 1.129 354 HG2 PRO 43 2HG PRO 43 5.926 -17.484 2.307 355 HG3 PRO 43 1HG PRO 43 5.319 -18.939 3.115 356 HD2 PRO 43 2HD PRO 43 7.960 -18.355 2.914 357 HD3 PRO 43 1HD PRO 43 7.338 -20.017 2.982 358 H GLY 44 H GLY 44 4.914 -17.900 -1.336 359 HA2 GLY 44 2HA GLY 44 6.861 -15.808 -2.092 360 HA3 GLY 44 1HA GLY 44 5.626 -16.388 -3.201 361 H ARG 45 H ARG 45 5.130 -15.794 0.242 362 HA ARG 45 HA ARG 45 2.987 -13.858 -0.465 363 HB2 ARG 45 2HB ARG 45 3.636 -15.771 1.694 364 HB3 ARG 45 1HB ARG 45 2.876 -14.275 2.239 365 HG2 ARG 45 2HG ARG 45 0.907 -14.701 1.117 366 HG3 ARG 45 1HG ARG 45 1.708 -15.623 -0.155 367 HD2 ARG 45 2HD ARG 45 2.218 -17.231 1.983 368 HD3 ARG 45 1HD ARG 45 0.645 -16.556 2.452 369 HE ARG 45 HE ARG 45 0.353 -17.191 -0.244 370 HH11 ARG 45 1HH1 ARG 45 2.302 -19.405 0.361 371 HH12 ARG 45 2HH1 ARG 45 1.244 -20.689 0.844 372 HH21 ARG 45 1HH2 ARG 45 -1.477 -18.602 1.368 373 HH22 ARG 45 2HH2 ARG 45 -0.898 -20.234 1.414 374 H TYR 46 H TYR 46 3.182 -11.693 0.004 375 HA TYR 46 HA TYR 46 5.602 -10.828 1.545 376 HB2 TYR 46 2HB TYR 46 4.055 -9.494 -0.678 377 HB3 TYR 46 1HB TYR 46 5.442 -8.798 0.135 378 HD1 TYR 46 2HD TYR 46 4.471 -11.995 -1.579 379 HD2 TYR 46 1HD TYR 46 7.525 -9.076 -0.817 380 HE1 TYR 46 2HE TYR 46 6.009 -13.208 -3.095 381 HE2 TYR 46 1HE TYR 46 9.060 -10.285 -2.332 382 HH TYR 46 HH TYR 46 8.540 -13.414 -3.365 383 H GLU 47 H GLU 47 5.323 -8.971 2.867 384 HA GLU 47 HA GLU 47 2.520 -8.596 3.845 385 HB2 GLU 47 2HB GLU 47 5.267 -8.094 5.031 386 HB3 GLU 47 1HB GLU 47 3.772 -7.628 5.836 387 HG2 GLU 47 2HG GLU 47 3.868 -9.713 6.740 388 HG3 GLU 47 1HG GLU 47 3.232 -10.229 5.178 389 H VAL 48 H VAL 48 1.746 -6.999 2.414 390 HA VAL 48 HA VAL 48 3.375 -4.719 1.624 391 HB VAL 48 HB VAL 48 0.454 -5.468 1.341 392 HG11 VAL 48 1HG1 VAL 48 1.573 -2.899 1.109 393 HG12 VAL 48 2HG1 VAL 48 0.006 -3.428 0.497 394 HG13 VAL 48 3HG1 VAL 48 1.428 -3.492 -0.545 395 HG21 VAL 48 3HG2 VAL 48 1.222 -6.716 -0.368 396 HG22 VAL 48 1HG2 VAL 48 2.874 -6.218 -0.000 397 HG23 VAL 48 2HG2 VAL 48 1.893 -5.266 -1.115 398 H ASN 49 H ASN 49 3.841 -3.179 3.101 399 HA ASN 49 HA ASN 49 1.633 -2.032 4.743 400 HB2 ASN 49 2HB ASN 49 4.527 -2.316 5.611 401 HB3 ASN 49 1HB ASN 49 3.131 -1.941 6.621 402 HD21 ASN 49 1HD2 ASN 49 5.082 -4.510 5.423 403 HD22 ASN 49 2HD2 ASN 49 4.108 -5.795 5.950 404 H ILE 50 H ILE 50 1.392 -0.213 3.464 405 HA ILE 50 HA ILE 50 3.874 1.321 2.755 406 HB ILE 50 HB ILE 50 2.558 0.472 0.894 407 HG12 ILE 50 2HG1 ILE 50 3.544 2.855 0.870 408 HG13 ILE 50 1HG1 ILE 50 2.319 2.484 -0.339 409 HG21 ILE 50 1HG2 ILE 50 0.160 1.879 0.939 410 HG22 ILE 50 2HG2 ILE 50 0.352 1.327 2.604 411 HG23 ILE 50 3HG2 ILE 50 0.360 0.160 1.282 412 HD11 ILE 50 3HD1 ILE 50 1.032 4.153 0.438 413 HD12 ILE 50 1HD1 ILE 50 2.264 4.536 1.637 414 HD13 ILE 50 2HD1 ILE 50 0.982 3.394 2.023 415 H VAL 51 H VAL 51 3.981 3.555 3.186 416 HA VAL 51 HA VAL 51 1.809 4.643 4.938 417 HB VAL 51 HB VAL 51 3.994 4.124 6.044 418 HG11 VAL 51 1HG1 VAL 51 5.982 4.874 5.225 419 HG12 VAL 51 2HG1 VAL 51 5.314 6.448 4.793 420 HG13 VAL 51 3HG1 VAL 51 5.095 5.071 3.712 421 HG21 VAL 51 3HG2 VAL 51 4.133 7.002 6.261 422 HG22 VAL 51 1HG2 VAL 51 3.484 5.839 7.418 423 HG23 VAL 51 2HG2 VAL 51 2.446 6.497 6.153 424 H LEU 52 H LEU 52 1.169 6.804 4.550 425 HA LEU 52 HA LEU 52 2.414 8.164 2.187 426 HB2 LEU 52 2HB LEU 52 -0.556 8.031 2.736 427 HB3 LEU 52 1HB LEU 52 0.252 8.497 1.239 428 HG LEU 52 HG LEU 52 1.263 6.062 1.409 429 HD11 LEU 52 1HD1 LEU 52 -0.680 6.130 3.533 430 HD12 LEU 52 2HD1 LEU 52 0.407 4.821 3.079 431 HD13 LEU 52 3HD1 LEU 52 -1.179 4.953 2.319 432 HD21 LEU 52 3HD2 LEU 52 0.022 5.935 -0.460 433 HD22 LEU 52 1HD2 LEU 52 -0.996 7.256 0.111 434 HD23 LEU 52 2HD2 LEU 52 -1.402 5.589 0.521 435 H ASN 53 H ASN 53 0.672 10.322 2.161 436 HA ASN 53 HA ASN 53 1.710 12.263 3.787 437 HB2 ASN 53 2HB ASN 53 -1.243 11.933 3.164 438 HB3 ASN 53 1HB ASN 53 -0.384 13.453 3.416 439 HD21 ASN 53 1HD2 ASN 53 -0.997 10.873 1.095 440 HD22 ASN 53 2HD2 ASN 53 -0.182 11.594 -0.208 441 HA PRO 54 HA PRO 54 0.696 11.529 7.979 442 HB2 PRO 54 2HB PRO 54 -0.004 14.037 8.853 443 HB3 PRO 54 1HB PRO 54 1.671 13.549 8.521 444 HG2 PRO 54 2HG PRO 54 -0.232 15.065 6.787 445 HG3 PRO 54 1HG PRO 54 1.486 15.366 7.102 446 HD2 PRO 54 2HD PRO 54 0.665 14.164 4.847 447 HD3 PRO 54 1HD PRO 54 2.185 13.701 5.649 448 H ASN 55 H ASN 55 -1.691 12.950 5.875 449 HA ASN 55 HA ASN 55 -3.833 11.737 7.561 450 HB2 ASN 55 2HB ASN 55 -3.532 14.140 8.143 451 HB3 ASN 55 1HB ASN 55 -3.816 14.563 6.454 452 HD21 ASN 55 1HD2 ASN 55 -5.443 12.405 8.861 453 HD22 ASN 55 2HD2 ASN 55 -7.006 12.979 8.530 454 H LEU 56 H LEU 56 -3.845 10.138 5.766 455 HA LEU 56 HA LEU 56 -4.327 10.891 3.023 456 HB2 LEU 56 2HB LEU 56 -4.714 8.411 4.705 457 HB3 LEU 56 1HB LEU 56 -5.092 8.435 2.983 458 HG LEU 56 HG LEU 56 -2.408 8.956 4.278 459 HD11 LEU 56 1HD1 LEU 56 -2.127 7.101 2.273 460 HD12 LEU 56 2HD1 LEU 56 -3.744 6.739 2.881 461 HD13 LEU 56 3HD1 LEU 56 -2.363 6.710 3.977 462 HD21 LEU 56 3HD2 LEU 56 -1.965 8.945 1.576 463 HD22 LEU 56 1HD2 LEU 56 -2.128 10.412 2.539 464 HD23 LEU 56 2HD2 LEU 56 -3.516 9.778 1.658 465 H ASP 57 H ASP 57 -6.524 9.376 2.289 466 HA ASP 57 HA ASP 57 -8.891 10.177 3.834 467 HB2 ASP 57 2HB ASP 57 -8.411 12.276 2.800 468 HB3 ASP 57 1HB ASP 57 -8.055 11.512 1.254 469 H GLN 58 H GLN 58 -10.913 9.592 2.516 470 HA GLN 58 HA GLN 58 -10.769 6.892 1.642 471 HB2 GLN 58 2HB GLN 58 -12.831 9.092 1.405 472 HB3 GLN 58 1HB GLN 58 -13.158 7.429 0.922 473 HG2 GLN 58 2HG GLN 58 -12.721 6.626 3.169 474 HG3 GLN 58 1HG GLN 58 -12.186 8.227 3.679 475 HE21 GLN 58 1HE2 GLN 58 -13.781 9.309 4.831 476 HE22 GLN 58 2HE2 GLN 58 -15.451 9.163 4.566 477 H SER 59 H SER 59 -11.058 9.938 -0.194 478 HA SER 59 HA SER 59 -11.316 8.769 -2.773 479 HB2 SER 59 2HB SER 59 -11.899 11.033 -2.559 480 HB3 SER 59 1HB SER 59 -10.448 11.412 -1.634 481 HG SER 59 HG SER 59 -10.649 11.970 -4.035 482 H GLN 60 H GLN 60 -8.550 9.425 -0.731 483 HA GLN 60 HA GLN 60 -6.485 9.295 -2.710 484 HB2 GLN 60 2HB GLN 60 -6.641 8.710 0.259 485 HB3 GLN 60 1HB GLN 60 -5.122 8.759 -0.632 486 HG2 GLN 60 2HG GLN 60 -7.111 11.042 -0.584 487 HG3 GLN 60 1HG GLN 60 -5.715 10.938 0.489 488 HE21 GLN 60 1HE2 GLN 60 -5.473 13.113 -0.971 489 HE22 GLN 60 2HE2 GLN 60 -4.470 12.912 -2.324 490 H LEU 61 H LEU 61 -8.021 6.765 -0.702 491 HA LEU 61 HA LEU 61 -6.286 4.627 -1.523 492 HB2 LEU 61 2HB LEU 61 -9.180 4.621 -0.632 493 HB3 LEU 61 1HB LEU 61 -8.126 3.206 -0.701 494 HG LEU 61 HG LEU 61 -7.524 5.691 0.934 495 HD11 LEU 61 1HD1 LEU 61 -8.110 3.219 2.385 496 HD12 LEU 61 2HD1 LEU 61 -9.493 3.801 1.458 497 HD13 LEU 61 3HD1 LEU 61 -8.728 4.848 2.652 498 HD21 LEU 61 3HD2 LEU 61 -5.512 4.497 0.384 499 HD22 LEU 61 1HD2 LEU 61 -6.273 2.940 0.712 500 HD23 LEU 61 2HD2 LEU 61 -5.923 4.048 2.040 501 H ALA 62 H ALA 62 -9.271 5.966 -2.921 502 HA ALA 62 HA ALA 62 -9.893 3.945 -4.756 503 HB1 ALA 62 1HB ALA 62 -11.405 5.581 -5.201 504 HB2 ALA 62 2HB ALA 62 -10.142 6.480 -6.042 505 HB3 ALA 62 3HB ALA 62 -10.418 6.747 -4.320 506 H LEU 63 H LEU 63 -7.421 6.453 -4.806 507 HA LEU 63 HA LEU 63 -6.440 5.862 -7.446 508 HB2 LEU 63 2HB LEU 63 -5.468 7.330 -4.995 509 HB3 LEU 63 1HB LEU 63 -4.457 7.191 -6.428 510 HG LEU 63 HG LEU 63 -7.282 8.269 -6.496 511 HD11 LEU 63 1HD1 LEU 63 -4.683 9.556 -5.819 512 HD12 LEU 63 2HD1 LEU 63 -6.321 9.997 -5.329 513 HD13 LEU 63 3HD1 LEU 63 -5.732 10.439 -6.931 514 HD21 LEU 63 3HD2 LEU 63 -6.961 8.205 -8.728 515 HD22 LEU 63 1HD2 LEU 63 -5.363 7.498 -8.483 516 HD23 LEU 63 2HD2 LEU 63 -5.550 9.251 -8.550 517 H GLU 64 H GLU 64 -5.270 5.114 -4.146 518 HA GLU 64 HA GLU 64 -3.084 3.456 -4.966 519 HB2 GLU 64 2HB GLU 64 -4.791 3.423 -2.454 520 HB3 GLU 64 1HB GLU 64 -3.172 2.737 -2.602 521 HG2 GLU 64 2HG GLU 64 -3.704 5.635 -3.247 522 HG3 GLU 64 1HG GLU 64 -3.367 5.109 -1.596 523 H LYS 65 H LYS 65 -6.506 2.768 -4.377 524 HA LYS 65 HA LYS 65 -6.223 -0.118 -4.467 525 HB2 LYS 65 2HB LYS 65 -8.316 1.942 -4.302 526 HB3 LYS 65 1HB LYS 65 -8.829 0.499 -5.174 527 HG2 LYS 65 2HG LYS 65 -9.293 0.284 -2.759 528 HG3 LYS 65 1HG LYS 65 -8.105 -0.909 -3.285 529 HD2 LYS 65 2HD LYS 65 -6.587 1.345 -2.614 530 HD3 LYS 65 1HD LYS 65 -7.812 1.241 -1.349 531 HE2 LYS 65 2HE LYS 65 -6.634 -0.438 -0.394 532 HE3 LYS 65 1HE LYS 65 -6.880 -1.413 -1.856 533 HZ1 LYS 65 3HZ LYS 65 -4.985 -0.478 -2.867 534 HZ2 LYS 65 1HZ LYS 65 -4.494 -0.888 -1.296 535 HZ3 LYS 65 2HZ LYS 65 -4.839 0.730 -1.682 536 H GLU 66 H GLU 66 -7.279 2.305 -6.893 537 HA GLU 66 HA GLU 66 -7.711 0.405 -8.980 538 HB2 GLU 66 2HB GLU 66 -7.145 3.368 -8.833 539 HB3 GLU 66 1HB GLU 66 -7.446 2.557 -10.371 540 HG2 GLU 66 2HG GLU 66 -9.330 2.407 -8.001 541 HG3 GLU 66 1HG GLU 66 -9.507 3.567 -9.318 542 H ILE 67 H ILE 67 -4.881 2.247 -7.917 543 HA ILE 67 HA ILE 67 -3.216 1.501 -10.175 544 HB ILE 67 HB ILE 67 -2.568 2.554 -7.409 545 HG12 ILE 67 2HG1 ILE 67 -4.299 3.800 -8.855 546 HG13 ILE 67 1HG1 ILE 67 -2.924 4.740 -8.273 547 HG21 ILE 67 1HG2 ILE 67 -0.982 1.972 -9.799 548 HG22 ILE 67 2HG2 ILE 67 -0.450 2.297 -8.150 549 HG23 ILE 67 3HG2 ILE 67 -0.801 3.636 -9.244 550 HD11 ILE 67 3HD1 ILE 67 -2.465 3.383 -10.833 551 HD12 ILE 67 1HD1 ILE 67 -2.132 5.050 -10.366 552 HD13 ILE 67 2HD1 ILE 67 -3.753 4.585 -10.878 553 H ILE 68 H ILE 68 -3.342 0.431 -6.739 554 HA ILE 68 HA ILE 68 -1.222 -1.494 -7.049 555 HB ILE 68 HB ILE 68 -3.519 -1.154 -5.099 556 HG12 ILE 68 2HG1 ILE 68 -0.547 -0.553 -4.940 557 HG13 ILE 68 1HG1 ILE 68 -1.833 0.642 -5.114 558 HG21 ILE 68 1HG2 ILE 68 -1.981 -2.647 -3.643 559 HG22 ILE 68 2HG2 ILE 68 -1.253 -3.144 -5.171 560 HG23 ILE 68 3HG2 ILE 68 -2.965 -3.440 -4.872 561 HD11 ILE 68 3HD1 ILE 68 -0.915 -0.777 -2.714 562 HD12 ILE 68 1HD1 ILE 68 -2.666 -0.819 -2.923 563 HD13 ILE 68 2HD1 ILE 68 -1.823 0.729 -2.851 564 H GLN 69 H GLN 69 -4.778 -1.849 -7.022 565 HA GLN 69 HA GLN 69 -4.835 -4.664 -7.485 566 HB2 GLN 69 2HB GLN 69 -6.735 -2.390 -8.130 567 HB3 GLN 69 1HB GLN 69 -7.173 -4.092 -8.285 568 HG2 GLN 69 2HG GLN 69 -6.338 -2.642 -5.759 569 HG3 GLN 69 1HG GLN 69 -7.913 -3.355 -6.108 570 HE21 GLN 69 1HE2 GLN 69 -8.172 -5.618 -5.770 571 HE22 GLN 69 2HE2 GLN 69 -6.934 -6.618 -5.178 572 H ARG 70 H ARG 70 -4.537 -1.905 -9.698 573 HA ARG 70 HA ARG 70 -5.057 -3.299 -12.119 574 HB2 ARG 70 2HB ARG 70 -5.140 -1.010 -12.333 575 HB3 ARG 70 1HB ARG 70 -3.832 -0.758 -11.180 576 HG2 ARG 70 2HG ARG 70 -2.167 -1.248 -12.803 577 HG3 ARG 70 1HG ARG 70 -3.347 -1.935 -13.920 578 HD2 ARG 70 2HD ARG 70 -4.146 0.757 -13.287 579 HD3 ARG 70 1HD ARG 70 -2.453 0.762 -13.819 580 HE ARG 70 HE ARG 70 -3.498 -0.888 -15.665 581 HH11 ARG 70 1HH1 ARG 70 -3.356 2.315 -15.644 582 HH12 ARG 70 2HH1 ARG 70 -4.841 2.638 -16.473 583 HH21 ARG 70 1HH2 ARG 70 -6.025 -0.608 -16.167 584 HH22 ARG 70 2HH2 ARG 70 -6.353 0.983 -16.770 585 H ALA 71 H ALA 71 -1.946 -2.558 -10.478 586 HA ALA 71 HA ALA 71 -0.335 -3.854 -12.461 587 HB1 ALA 71 1HB ALA 71 -0.083 -2.470 -9.911 588 HB2 ALA 71 2HB ALA 71 1.032 -2.502 -11.276 589 HB3 ALA 71 3HB ALA 71 1.085 -3.784 -10.065 590 H LEU 72 H LEU 72 -1.345 -4.893 -9.191 591 HA LEU 72 HA LEU 72 -0.051 -7.390 -9.156 592 HB2 LEU 72 2HB LEU 72 -2.659 -6.454 -7.934 593 HB3 LEU 72 1HB LEU 72 -1.787 -7.902 -7.430 594 HG LEU 72 HG LEU 72 -0.813 -5.039 -7.288 595 HD11 LEU 72 1HD1 LEU 72 -2.154 -6.781 -5.461 596 HD12 LEU 72 2HD1 LEU 72 -1.549 -5.151 -5.167 597 HD13 LEU 72 3HD1 LEU 72 -0.506 -6.544 -4.879 598 HD21 LEU 72 3HD2 LEU 72 1.142 -6.420 -6.081 599 HD22 LEU 72 1HD2 LEU 72 1.182 -6.077 -7.811 600 HD23 LEU 72 2HD2 LEU 72 0.633 -7.650 -7.237 601 H GLU 73 H GLU 73 -3.247 -6.545 -10.456 602 HA GLU 73 HA GLU 73 -4.075 -9.207 -11.051 603 HB2 GLU 73 2HB GLU 73 -5.783 -7.663 -10.884 604 HB3 GLU 73 1HB GLU 73 -4.817 -6.369 -11.548 605 HG2 GLU 73 2HG GLU 73 -5.011 -7.345 -13.774 606 HG3 GLU 73 1HG GLU 73 -6.020 -8.644 -13.137 607 H ASN 74 H ASN 74 -2.745 -6.537 -12.933 608 HA ASN 74 HA ASN 74 -2.648 -7.802 -15.459 609 HB2 ASN 74 2HB ASN 74 -2.172 -5.346 -14.570 610 HB3 ASN 74 1HB ASN 74 -0.503 -5.917 -14.540 611 HD21 ASN 74 1HD2 ASN 74 -1.897 -3.944 -16.418 612 HD22 ASN 74 2HD2 ASN 74 -1.580 -4.546 -17.973 613 H TYR 75 H TYR 75 -0.416 -7.820 -12.702 614 HA TYR 75 HA TYR 75 1.659 -9.330 -14.075 615 HB2 TYR 75 2HB TYR 75 1.405 -7.785 -11.831 616 HB3 TYR 75 1HB TYR 75 1.426 -9.400 -11.136 617 HD1 TYR 75 1HD TYR 75 3.230 -7.101 -13.416 618 HD2 TYR 75 2HD TYR 75 3.460 -10.673 -11.047 619 HE1 TYR 75 1HE TYR 75 5.683 -7.196 -13.798 620 HE2 TYR 75 2HE TYR 75 5.909 -10.771 -11.429 621 HH TYR 75 HH TYR 75 7.490 -9.698 -13.523 622 H GLY 76 H GLY 76 -1.114 -10.109 -12.015 623 HA2 GLY 76 2HA GLY 76 -2.235 -12.276 -12.408 624 HA3 GLY 76 1HA GLY 76 -0.628 -12.969 -12.571 625 H ALA 77 H ALA 77 -0.800 -10.608 -10.131 626 HA ALA 77 HA ALA 77 -0.714 -12.754 -8.060 627 HB1 ALA 77 1HB ALA 77 1.176 -11.128 -8.379 628 HB2 ALA 77 2HB ALA 77 0.477 -11.070 -6.760 629 HB3 ALA 77 3HB ALA 77 0.070 -9.826 -7.943 630 H ARG 78 H ARG 78 -2.471 -12.989 -6.752 631 HA ARG 78 HA ARG 78 -4.447 -10.737 -6.593 632 HB2 ARG 78 2HB ARG 78 -4.923 -13.110 -7.592 633 HB3 ARG 78 1HB ARG 78 -4.951 -13.631 -5.907 634 HG2 ARG 78 2HG ARG 78 -6.668 -11.875 -5.438 635 HG3 ARG 78 1HG ARG 78 -6.697 -11.491 -7.159 636 HD2 ARG 78 2HD ARG 78 -7.897 -13.373 -7.683 637 HD3 ARG 78 1HD ARG 78 -7.030 -14.369 -6.497 638 HE ARG 78 HE ARG 78 -8.862 -13.932 -5.081 639 HH11 ARG 78 1HH2 ARG 78 -9.978 -12.196 -7.472 640 HH12 ARG 78 2HH2 ARG 78 -10.384 -10.755 -6.600 641 HH21 ARG 78 1HH1 ARG 78 -8.596 -11.650 -3.768 642 HH22 ARG 78 2HH1 ARG 78 -9.601 -10.446 -4.502 643 H VAL 79 H VAL 79 -4.845 -9.885 -4.537 644 HA VAL 79 HA VAL 79 -3.135 -10.552 -2.341 645 HB VAL 79 HB VAL 79 -5.802 -9.147 -2.157 646 HG11 VAL 79 1HG1 VAL 79 -4.249 -9.566 -0.155 647 HG12 VAL 79 2HG1 VAL 79 -4.767 -7.901 -0.422 648 HG13 VAL 79 3HG1 VAL 79 -3.151 -8.412 -0.911 649 HG21 VAL 79 3HG2 VAL 79 -3.643 -8.521 -3.961 650 HG22 VAL 79 1HG2 VAL 79 -3.744 -7.268 -2.724 651 HG23 VAL 79 2HG2 VAL 79 -5.153 -7.647 -3.713 652 H GLU 80 H GLU 80 -3.353 -12.238 -0.950 653 HA GLU 80 HA GLU 80 -5.729 -13.949 -1.014 654 HB2 GLU 80 2HB GLU 80 -2.964 -14.057 -0.335 655 HB3 GLU 80 1HB GLU 80 -3.862 -14.486 1.120 656 HG2 GLU 80 2HG GLU 80 -4.192 -15.734 -1.620 657 HG3 GLU 80 1HG GLU 80 -3.431 -16.494 -0.222 658 H LYS 81 H LYS 81 -4.732 -11.166 0.678 659 HA LYS 81 HA LYS 81 -6.841 -11.558 2.748 660 HB2 LYS 81 2HB LYS 81 -5.205 -10.767 4.349 661 HB3 LYS 81 1HB LYS 81 -4.466 -12.063 3.409 662 HG2 LYS 81 2HG LYS 81 -2.788 -10.598 3.027 663 HG3 LYS 81 1HG LYS 81 -3.897 -9.860 1.869 664 HD2 LYS 81 2HD LYS 81 -3.840 -7.978 3.107 665 HD3 LYS 81 1HD LYS 81 -4.637 -8.860 4.409 666 HE2 LYS 81 2HE LYS 81 -1.793 -9.504 4.288 667 HE3 LYS 81 1HE LYS 81 -2.067 -7.767 4.524 668 HZ1 LYS 81 3HZ LYS 81 -2.205 -9.518 6.513 669 HZ2 LYS 81 1HZ LYS 81 -3.816 -9.575 5.989 670 HZ3 LYS 81 2HZ LYS 81 -3.134 -8.096 6.474 671 H VAL 82 H VAL 82 -7.964 -9.605 3.242 672 HA VAL 82 HA VAL 82 -6.943 -7.075 2.021 673 HB VAL 82 HB VAL 82 -9.573 -8.492 1.578 674 HG11 VAL 82 1HG1 VAL 82 -10.655 -6.518 1.766 675 HG12 VAL 82 2HG1 VAL 82 -9.771 -6.002 0.329 676 HG13 VAL 82 3HG1 VAL 82 -9.141 -5.629 1.934 677 HG21 VAL 82 3HG2 VAL 82 -8.829 -7.342 -0.773 678 HG22 VAL 82 1HG2 VAL 82 -8.324 -8.959 -0.280 679 HG23 VAL 82 2HG2 VAL 82 -7.249 -7.583 -0.026 680 H GLU 83 H GLU 83 -6.624 -5.972 3.970 681 HA GLU 83 HA GLU 83 -9.011 -5.751 5.773 682 HB2 GLU 83 2HB GLU 83 -7.057 -7.234 6.529 683 HB3 GLU 83 1HB GLU 83 -6.123 -5.744 6.670 684 HG2 GLU 83 2HG GLU 83 -8.276 -4.948 8.025 685 HG3 GLU 83 1HG GLU 83 -8.452 -6.683 8.293 686 H GLU 84 H GLU 84 -9.682 -3.647 5.385 687 HA GLU 84 HA GLU 84 -7.662 -1.508 5.118 688 HB2 GLU 84 2HB GLU 84 -10.366 -2.078 4.166 689 HB3 GLU 84 1HB GLU 84 -10.213 -0.439 4.800 690 HG2 GLU 84 2HG GLU 84 -9.574 -0.184 2.554 691 HG3 GLU 84 1HG GLU 84 -8.025 -0.350 3.383 692 H LEU 85 H LEU 85 -7.042 -1.013 7.254 693 HA LEU 85 HA LEU 85 -8.945 -0.944 9.452 694 HB2 LEU 85 2HB LEU 85 -6.143 0.181 9.136 695 HB3 LEU 85 1HB LEU 85 -6.974 -0.096 10.668 696 HG LEU 85 HG LEU 85 -6.657 -2.360 8.717 697 HD11 LEU 85 1HD1 LEU 85 -4.611 -2.322 10.785 698 HD12 LEU 85 2HD1 LEU 85 -4.470 -0.920 9.724 699 HD13 LEU 85 3HD1 LEU 85 -4.433 -2.548 9.045 700 HD21 LEU 85 3HD2 LEU 85 -8.080 -2.808 10.594 701 HD22 LEU 85 1HD2 LEU 85 -6.951 -2.051 11.717 702 HD23 LEU 85 2HD2 LEU 85 -6.540 -3.587 10.955 703 H GLY 86 H GLY 86 -8.549 1.115 6.863 704 HA2 GLY 86 2HA GLY 86 -9.397 3.269 6.461 705 HA3 GLY 86 1HA GLY 86 -10.139 3.204 8.060 706 H LEU 87 H LEU 87 -7.935 4.892 6.286 707 HA LEU 87 HA LEU 87 -5.632 5.314 7.746 708 HB2 LEU 87 2HB LEU 87 -5.698 7.563 6.808 709 HB3 LEU 87 1HB LEU 87 -6.393 6.442 5.638 710 HG LEU 87 HG LEU 87 -8.560 7.182 7.229 711 HD11 LEU 87 1HD1 LEU 87 -7.482 9.799 6.377 712 HD12 LEU 87 2HD1 LEU 87 -6.664 9.081 7.766 713 HD13 LEU 87 3HD1 LEU 87 -8.403 9.378 7.822 714 HD21 LEU 87 3HD2 LEU 87 -8.098 8.782 4.786 715 HD22 LEU 87 1HD2 LEU 87 -9.436 7.707 5.190 716 HD23 LEU 87 2HD2 LEU 87 -7.924 7.041 4.574 717 H ARG 88 H ARG 88 -5.154 6.147 9.769 718 HA ARG 88 HA ARG 88 -7.391 6.897 11.511 719 HB2 ARG 88 2HB ARG 88 -5.325 5.271 11.886 720 HB3 ARG 88 1HB ARG 88 -4.533 6.770 12.376 721 HG2 ARG 88 2HG ARG 88 -5.549 5.682 14.328 722 HG3 ARG 88 1HG ARG 88 -6.376 7.201 13.981 723 HD2 ARG 88 2HD ARG 88 -8.316 6.029 13.900 724 HD3 ARG 88 1HD ARG 88 -7.703 5.231 12.437 725 HE ARG 88 HE ARG 88 -6.493 4.048 14.753 726 HH11 ARG 88 1HH1 ARG 88 -9.559 4.371 13.204 727 HH12 ARG 88 2HH1 ARG 88 -10.082 2.773 13.618 728 HH21 ARG 88 1HH2 ARG 88 -7.127 1.929 15.220 729 HH22 ARG 88 2HH2 ARG 88 -8.708 1.392 14.759 730 H ARG 89 H ARG 89 -7.081 8.828 12.974 731 HA ARG 89 HA ARG 89 -5.507 10.996 11.640 732 HB2 ARG 89 2HB ARG 89 -7.377 12.457 12.004 733 HB3 ARG 89 1HB ARG 89 -8.035 10.969 11.323 734 HG2 ARG 89 2HG ARG 89 -8.156 10.331 13.936 735 HG3 ARG 89 1HG ARG 89 -8.323 12.082 14.063 736 HD2 ARG 89 2HD ARG 89 -10.002 10.397 12.177 737 HD3 ARG 89 1HD ARG 89 -10.529 10.862 13.807 738 HE ARG 89 HE ARG 89 -9.573 13.193 12.470 739 HH11 ARG 89 1HH2 ARG 89 -12.243 12.832 13.900 740 HH12 ARG 89 2HH2 ARG 89 -13.356 13.096 12.599 741 HH21 ARG 89 1HH1 ARG 89 -10.963 12.704 10.121 742 HH22 ARG 89 2HH1 ARG 89 -12.631 13.024 10.460 743 H LEU 90 H LEU 90 -3.856 11.433 13.042 744 HA LEU 90 HA LEU 90 -4.281 11.168 15.969 745 HB2 LEU 90 2HB LEU 90 -2.319 10.149 14.959 746 HB3 LEU 90 1HB LEU 90 -1.879 11.669 14.186 747 HG LEU 90 HG LEU 90 -1.439 12.704 16.336 748 HD11 LEU 90 1HD1 LEU 90 -2.380 10.077 17.526 749 HD12 LEU 90 2HD1 LEU 90 -3.251 11.608 17.602 750 HD13 LEU 90 3HD1 LEU 90 -1.708 11.430 18.436 751 HD21 LEU 90 3HD2 LEU 90 -0.220 10.011 15.803 752 HD22 LEU 90 1HD2 LEU 90 0.236 10.891 17.261 753 HD23 LEU 90 2HD2 LEU 90 0.514 11.610 15.675 754 H ALA 91 H ALA 91 -5.800 13.155 15.744 755 HA ALA 91 HA ALA 91 -4.162 15.646 16.058 756 HB1 ALA 91 1HB ALA 91 -6.190 14.934 14.109 757 HB2 ALA 91 2HB ALA 91 -5.168 16.370 14.165 758 HB3 ALA 91 3HB ALA 91 -6.698 16.342 15.042 759 H TYR 92 H TYR 92 -4.349 15.660 18.344 760 HA TYR 92 HA TYR 92 -7.073 15.463 19.525 761 HB2 TYR 92 2HB TYR 92 -4.264 15.568 20.664 762 HB3 TYR 92 1HB TYR 92 -5.720 15.430 21.650 763 HD1 TYR 92 1HD TYR 92 -7.448 13.576 20.483 764 HD2 TYR 92 2HD TYR 92 -3.153 13.546 20.381 765 HE1 TYR 92 1HE TYR 92 -7.474 11.127 20.099 766 HE2 TYR 92 2HE TYR 92 -3.179 11.096 19.998 767 HH TYR 92 HH TYR 92 -4.461 9.253 19.971 768 HA PRO 93 HA PRO 93 -7.277 19.867 19.752 769 HB2 PRO 93 2HB PRO 93 -9.390 20.032 21.486 770 HB3 PRO 93 1HB PRO 93 -9.575 19.606 19.773 771 HG2 PRO 93 2HG PRO 93 -9.557 17.845 22.170 772 HG3 PRO 93 1HG PRO 93 -10.535 17.740 20.698 773 HD2 PRO 93 2HD PRO 93 -8.339 16.183 21.179 774 HD3 PRO 93 1HD PRO 93 -8.917 16.603 19.552 775 H ILE 94 H ILE 94 -6.790 21.546 21.307 776 HA ILE 94 HA ILE 94 -5.704 20.524 23.912 777 HB ILE 94 HB ILE 94 -4.803 22.900 22.255 778 HG12 ILE 94 2HG1 ILE 94 -2.831 20.955 22.118 779 HG13 ILE 94 1HG1 ILE 94 -4.319 20.022 21.956 780 HG21 ILE 94 1HG2 ILE 94 -2.729 21.836 23.837 781 HG22 ILE 94 2HG2 ILE 94 -4.148 21.877 24.883 782 HG23 ILE 94 3HG2 ILE 94 -3.588 23.353 24.097 783 HD11 ILE 94 3HD1 ILE 94 -4.043 22.554 20.378 784 HD12 ILE 94 1HD1 ILE 94 -4.934 21.082 19.986 785 HD13 ILE 94 2HD1 ILE 94 -3.178 21.118 19.828 786 H ALA 95 H ALA 95 -7.053 21.200 25.539 787 HA ALA 95 HA ALA 95 -8.770 23.564 25.226 788 HB1 ALA 95 1HB ALA 95 -9.493 22.823 27.527 789 HB2 ALA 95 2HB ALA 95 -8.254 21.569 27.452 790 HB3 ALA 95 3HB ALA 95 -9.596 21.552 26.308 791 H LYS 96 H LYS 96 -8.292 25.590 26.002 792 HA LYS 96 HA LYS 96 -5.681 26.185 27.107 793 HB2 LYS 96 2HB LYS 96 -8.130 27.548 26.211 794 HB3 LYS 96 1HB LYS 96 -7.299 28.388 27.521 795 HG2 LYS 96 2HG LYS 96 -6.452 29.141 25.334 796 HG3 LYS 96 1HG LYS 96 -5.189 28.302 26.235 797 HD2 LYS 96 2HD LYS 96 -5.327 26.382 24.895 798 HD3 LYS 96 1HD LYS 96 -6.948 26.780 24.325 799 HE2 LYS 96 2HE LYS 96 -5.607 28.947 23.399 800 HE3 LYS 96 1HE LYS 96 -4.315 27.730 23.326 801 HZ1 LYS 96 3HZ LYS 96 -5.625 27.628 21.316 802 HZ2 LYS 96 1HZ LYS 96 -7.057 27.460 22.208 803 HZ3 LYS 96 2HZ LYS 96 -5.893 26.222 22.230 Start of MODEL 6 1 H1 MET 1 1HT MET 1 2.112 9.995 10.542 2 H2 MET 1 2HT MET 1 3.634 9.931 9.793 3 H3 MET 1 3HT MET 1 3.514 9.856 11.486 4 HA MET 1 HA MET 1 2.698 7.784 9.517 5 HB2 MET 1 2HB MET 1 4.694 8.042 11.785 6 HB3 MET 1 1HB MET 1 4.344 6.515 10.975 7 HG2 MET 1 2HG MET 1 4.852 8.634 9.049 8 HG3 MET 1 1HG MET 1 6.209 8.439 10.159 9 HE1 MET 1 2HE MET 1 7.477 5.124 9.994 10 HE2 MET 1 3HE MET 1 5.853 4.818 10.605 11 HE3 MET 1 1HE MET 1 6.719 6.286 11.082 12 H ASP 2 H ASP 2 3.203 7.846 13.039 13 HA ASP 2 HA ASP 2 1.053 6.038 13.590 14 HB2 ASP 2 2HB ASP 2 2.973 6.309 15.046 15 HB3 ASP 2 1HB ASP 2 2.598 8.015 15.291 16 HA PRO 3 HA PRO 3 -1.503 9.857 14.653 17 HB2 PRO 3 2HB PRO 3 -0.515 12.339 14.071 18 HB3 PRO 3 1HB PRO 3 -0.131 11.478 15.573 19 HG2 PRO 3 2HG PRO 3 1.574 12.038 13.274 20 HG3 PRO 3 1HG PRO 3 2.018 11.548 14.913 21 HD2 PRO 3 2HD PRO 3 1.845 9.924 12.531 22 HD3 PRO 3 1HD PRO 3 2.411 9.462 14.153 23 H GLN 4 H GLN 4 -0.723 8.723 11.884 24 HA GLN 4 HA GLN 4 -2.311 10.678 10.250 25 HB2 GLN 4 2HB GLN 4 0.120 8.981 9.634 26 HB3 GLN 4 1HB GLN 4 -0.839 9.747 8.373 27 HG2 GLN 4 2HG GLN 4 -0.493 11.948 9.543 28 HG3 GLN 4 1HG GLN 4 0.629 11.129 10.629 29 HE21 GLN 4 1HE2 GLN 4 1.543 9.321 8.349 30 HE22 GLN 4 2HE2 GLN 4 2.571 10.296 7.416 31 H GLY 5 H GLY 5 -2.432 8.940 7.980 32 HA2 GLY 5 2HA GLY 5 -4.369 6.924 9.001 33 HA3 GLY 5 1HA GLY 5 -4.365 7.589 7.368 34 H TYR 6 H TYR 6 -1.186 6.997 8.098 35 HA TYR 6 HA TYR 6 -0.892 4.860 6.246 36 HB2 TYR 6 2HB TYR 6 0.941 6.274 6.731 37 HB3 TYR 6 1HB TYR 6 0.747 6.081 8.468 38 HD1 TYR 6 2HD TYR 6 0.435 3.109 6.369 39 HD2 TYR 6 1HD TYR 6 3.177 5.525 8.625 40 HE1 TYR 6 2HE TYR 6 2.091 1.264 6.333 41 HE2 TYR 6 1HE TYR 6 4.833 3.681 8.587 42 HH TYR 6 HH TYR 6 4.012 0.496 7.471 43 H PHE 7 H PHE 7 -2.188 3.043 6.739 44 HA PHE 7 HA PHE 7 -1.168 1.255 8.782 45 HB2 PHE 7 2HB PHE 7 -3.239 3.077 9.414 46 HB3 PHE 7 1HB PHE 7 -4.002 1.494 9.265 47 HD1 PHE 7 2HD PHE 7 -2.320 -0.465 10.282 48 HD2 PHE 7 1HD PHE 7 -2.599 3.624 11.572 49 HE1 PHE 7 2HE PHE 7 -1.411 -1.102 12.502 50 HE2 PHE 7 1HE PHE 7 -1.689 2.987 13.789 51 HZ PHE 7 HZ PHE 7 -1.096 0.625 14.253 52 H LEU 8 H LEU 8 -1.812 1.466 5.823 53 HA LEU 8 HA LEU 8 -3.889 -0.549 5.428 54 HB2 LEU 8 2HB LEU 8 -2.144 1.171 3.667 55 HB3 LEU 8 1HB LEU 8 -3.228 -0.047 2.994 56 HG LEU 8 HG LEU 8 -5.137 1.040 4.171 57 HD11 LEU 8 1HD1 LEU 8 -4.638 3.427 4.995 58 HD12 LEU 8 2HD1 LEU 8 -2.943 2.940 5.013 59 HD13 LEU 8 3HD1 LEU 8 -4.111 2.104 6.035 60 HD21 LEU 8 3HD2 LEU 8 -3.628 3.104 2.555 61 HD22 LEU 8 1HD2 LEU 8 -5.369 2.837 2.625 62 HD23 LEU 8 2HD2 LEU 8 -4.330 1.669 1.809 63 H TRP 9 H TRP 9 -3.419 -2.716 5.178 64 HA TRP 9 HA TRP 9 -0.567 -3.447 4.590 65 HB2 TRP 9 2HB TRP 9 -1.810 -3.793 6.948 66 HB3 TRP 9 1HB TRP 9 -2.354 -5.264 6.140 67 HD1 TRP 9 HD TRP 9 0.326 -5.623 4.372 68 HE1 TRP 9 1HE TRP 9 2.438 -6.528 5.533 69 HE3 TRP 9 3HE TRP 9 -0.815 -4.556 9.232 70 HZ2 TRP 9 2HZ TRP 9 3.507 -6.771 8.179 71 HZ3 TRP 9 3HZ TRP 9 0.765 -5.134 11.051 72 HH2 TRP 9 HH TRP 9 2.922 -6.239 10.531 73 H TYR 10 H TYR 10 -0.396 -4.560 2.694 74 HA TYR 10 HA TYR 10 -2.736 -6.214 1.799 75 HB2 TYR 10 2HB TYR 10 -0.811 -4.566 0.125 76 HB3 TYR 10 1HB TYR 10 -2.223 -5.441 -0.470 77 HD1 TYR 10 1HD TYR 10 -4.363 -4.895 1.314 78 HD2 TYR 10 2HD TYR 10 -1.189 -2.262 0.110 79 HE1 TYR 10 1HE TYR 10 -5.798 -2.935 1.816 80 HE2 TYR 10 2HE TYR 10 -2.624 -0.303 0.613 81 HH TYR 10 HH TYR 10 -5.044 0.208 0.790 82 H GLN 11 H GLN 11 -2.199 -8.294 1.126 83 HA GLN 11 HA GLN 11 0.681 -8.993 0.989 84 HB2 GLN 11 2HB GLN 11 -0.884 -9.735 2.962 85 HB3 GLN 11 1HB GLN 11 -1.494 -10.904 1.790 86 HG2 GLN 11 2HG GLN 11 0.234 -12.209 2.452 87 HG3 GLN 11 1HG GLN 11 1.240 -11.130 1.482 88 HE21 GLN 11 1HE2 GLN 11 2.626 -12.184 3.538 89 HE22 GLN 11 2HE2 GLN 11 2.787 -11.097 4.832 90 H VAL 12 H VAL 12 1.160 -10.849 -0.488 91 HA VAL 12 HA VAL 12 -0.948 -11.272 -2.576 92 HB VAL 12 HB VAL 12 0.639 -10.815 -4.289 93 HG11 VAL 12 1HG1 VAL 12 -0.187 -8.847 -2.907 94 HG12 VAL 12 2HG1 VAL 12 1.273 -8.566 -3.855 95 HG13 VAL 12 3HG1 VAL 12 1.390 -8.861 -2.119 96 HG21 VAL 12 3HG2 VAL 12 2.654 -11.821 -3.822 97 HG22 VAL 12 1HG2 VAL 12 2.597 -11.378 -2.115 98 HG23 VAL 12 2HG2 VAL 12 3.076 -10.183 -3.321 99 H GLU 13 H GLU 13 0.086 -13.047 -4.170 100 HA GLU 13 HA GLU 13 1.376 -15.195 -2.535 101 HB2 GLU 13 2HB GLU 13 -0.350 -16.711 -3.717 102 HB3 GLU 13 1HB GLU 13 -0.935 -15.707 -2.396 103 HG2 GLU 13 2HG GLU 13 -1.557 -13.973 -4.160 104 HG3 GLU 13 1HG GLU 13 -1.230 -15.218 -5.367 105 H MET 14 H MET 14 2.928 -13.838 -4.281 106 HA MET 14 HA MET 14 3.167 -15.713 -6.602 107 HB2 MET 14 2HB MET 14 3.326 -12.681 -6.591 108 HB3 MET 14 1HB MET 14 3.670 -13.695 -7.989 109 HG2 MET 14 2HG MET 14 1.028 -13.474 -6.527 110 HG3 MET 14 1HG MET 14 1.383 -12.909 -8.160 111 HE1 MET 14 3HE MET 14 0.026 -15.386 -10.170 112 HE2 MET 14 1HE MET 14 0.181 -13.726 -9.581 113 HE3 MET 14 2HE MET 14 -1.018 -14.805 -8.875 114 HA PRO 15 HA PRO 15 7.391 -15.900 -5.377 115 HB2 PRO 15 2HB PRO 15 8.519 -16.512 -7.793 116 HB3 PRO 15 1HB PRO 15 7.677 -17.675 -6.788 117 HG2 PRO 15 2HG PRO 15 6.735 -16.216 -9.188 118 HG3 PRO 15 1HG PRO 15 6.385 -17.876 -8.680 119 HD2 PRO 15 2HD PRO 15 4.621 -15.824 -8.384 120 HD3 PRO 15 1HD PRO 15 4.668 -17.233 -7.302 121 H GLU 16 H GLU 16 9.571 -15.405 -6.708 122 HA GLU 16 HA GLU 16 9.929 -12.570 -6.691 123 HB2 GLU 16 2HB GLU 16 11.522 -14.642 -6.404 124 HB3 GLU 16 1HB GLU 16 11.670 -14.524 -8.157 125 HG2 GLU 16 2HG GLU 16 13.009 -12.711 -8.012 126 HG3 GLU 16 1HG GLU 16 11.922 -11.919 -6.869 127 H ASP 17 H ASP 17 9.061 -14.916 -9.098 128 HA ASP 17 HA ASP 17 9.750 -13.557 -11.482 129 HB2 ASP 17 2HB ASP 17 8.912 -15.917 -11.155 130 HB3 ASP 17 1HB ASP 17 7.293 -15.246 -10.954 131 H ARG 18 H ARG 18 6.754 -13.405 -9.560 132 HA ARG 18 HA ARG 18 5.677 -11.252 -11.291 133 HB2 ARG 18 2HB ARG 18 4.392 -12.142 -8.737 134 HB3 ARG 18 1HB ARG 18 3.651 -11.788 -10.296 135 HG2 ARG 18 2HG ARG 18 5.023 -13.902 -11.085 136 HG3 ARG 18 1HG ARG 18 5.000 -14.296 -9.367 137 HD2 ARG 18 2HD ARG 18 2.970 -15.246 -9.851 138 HD3 ARG 18 1HD ARG 18 2.373 -13.574 -9.823 139 HE ARG 18 HE ARG 18 3.475 -13.944 -12.379 140 HH11 ARG 18 1HH1 ARG 18 0.649 -13.173 -12.069 141 HH12 ARG 18 2HH1 ARG 18 -0.201 -14.554 -12.678 142 HH21 ARG 18 1HH2 ARG 18 2.538 -16.668 -12.453 143 HH22 ARG 18 2HH2 ARG 18 0.869 -16.533 -12.895 144 H VAL 19 H VAL 19 7.307 -11.651 -8.250 145 HA VAL 19 HA VAL 19 6.588 -9.410 -6.756 146 HB VAL 19 HB VAL 19 9.216 -10.793 -7.299 147 HG11 VAL 19 1HG1 VAL 19 9.954 -8.637 -6.631 148 HG12 VAL 19 2HG1 VAL 19 9.942 -9.581 -5.140 149 HG13 VAL 19 3HG1 VAL 19 8.629 -8.453 -5.481 150 HG21 VAL 19 3HG2 VAL 19 7.835 -10.722 -4.658 151 HG22 VAL 19 1HG2 VAL 19 8.678 -12.055 -5.447 152 HG23 VAL 19 2HG2 VAL 19 7.043 -11.627 -5.948 153 H ASN 20 H ASN 20 8.733 -9.523 -9.595 154 HA ASN 20 HA ASN 20 9.742 -6.890 -9.568 155 HB2 ASN 20 2HB ASN 20 10.410 -8.654 -11.144 156 HB3 ASN 20 1HB ASN 20 8.801 -8.642 -11.868 157 HD21 ASN 20 1HD2 ASN 20 11.542 -7.907 -13.038 158 HD22 ASN 20 2HD2 ASN 20 11.318 -6.351 -13.679 159 H ASP 21 H ASP 21 6.550 -8.108 -10.356 160 HA ASP 21 HA ASP 21 5.451 -5.906 -11.743 161 HB2 ASP 21 2HB ASP 21 4.535 -8.237 -11.341 162 HB3 ASP 21 1HB ASP 21 4.094 -7.702 -9.721 163 H LEU 22 H LEU 22 5.652 -6.602 -8.253 164 HA LEU 22 HA LEU 22 4.156 -4.383 -7.291 165 HB2 LEU 22 2HB LEU 22 6.476 -6.018 -6.253 166 HB3 LEU 22 1HB LEU 22 5.748 -4.742 -5.275 167 HG LEU 22 HG LEU 22 3.494 -5.947 -5.914 168 HD11 LEU 22 1HD1 LEU 22 5.602 -7.804 -6.809 169 HD12 LEU 22 2HD1 LEU 22 3.898 -7.733 -7.262 170 HD13 LEU 22 3HD1 LEU 22 4.382 -8.541 -5.770 171 HD21 LEU 22 3HD2 LEU 22 4.863 -7.679 -4.001 172 HD22 LEU 22 1HD2 LEU 22 3.538 -6.547 -3.731 173 HD23 LEU 22 2HD2 LEU 22 5.206 -5.974 -3.710 174 H ALA 23 H ALA 23 7.587 -4.645 -8.213 175 HA ALA 23 HA ALA 23 8.445 -2.089 -7.344 176 HB1 ALA 23 1HB ALA 23 10.380 -2.734 -8.400 177 HB2 ALA 23 2HB ALA 23 9.531 -3.190 -9.877 178 HB3 ALA 23 3HB ALA 23 9.553 -4.289 -8.496 179 H ARG 24 H ARG 24 7.353 -3.131 -10.597 180 HA ARG 24 HA ARG 24 7.316 -0.527 -11.750 181 HB2 ARG 24 2HB ARG 24 6.924 -3.175 -12.507 182 HB3 ARG 24 1HB ARG 24 5.343 -2.435 -12.769 183 HG2 ARG 24 2HG ARG 24 7.867 -1.104 -13.744 184 HG3 ARG 24 1HG ARG 24 7.052 -2.333 -14.711 185 HD2 ARG 24 2HD ARG 24 5.564 -0.784 -15.423 186 HD3 ARG 24 1HD ARG 24 5.082 -0.472 -13.743 187 HE ARG 24 HE ARG 24 7.267 0.969 -13.702 188 HH11 ARG 24 1HH1 ARG 24 4.525 1.476 -15.435 189 HH12 ARG 24 2HH1 ARG 24 5.221 2.514 -16.636 190 HH21 ARG 24 1HH2 ARG 24 8.490 1.867 -15.672 191 HH22 ARG 24 2HH2 ARG 24 7.469 2.736 -16.768 192 H GLU 25 H GLU 25 4.748 -2.527 -10.297 193 HA GLU 25 HA GLU 25 2.575 -0.744 -10.602 194 HB2 GLU 25 2HB GLU 25 2.434 -3.108 -9.937 195 HB3 GLU 25 1HB GLU 25 3.267 -2.744 -8.430 196 HG2 GLU 25 2HG GLU 25 0.869 -1.099 -8.984 197 HG3 GLU 25 1HG GLU 25 0.565 -2.806 -8.652 198 H LEU 26 H LEU 26 4.831 -1.200 -7.904 199 HA LEU 26 HA LEU 26 3.871 0.743 -6.107 200 HB2 LEU 26 2HB LEU 26 6.526 -0.492 -6.774 201 HB3 LEU 26 1HB LEU 26 6.468 0.807 -5.584 202 HG LEU 26 HG LEU 26 4.903 -1.785 -5.487 203 HD11 LEU 26 1HD1 LEU 26 7.400 -1.738 -4.876 204 HD12 LEU 26 2HD1 LEU 26 6.297 -2.366 -3.652 205 HD13 LEU 26 3HD1 LEU 26 6.929 -0.726 -3.512 206 HD21 LEU 26 3HD2 LEU 26 4.716 0.789 -3.964 207 HD22 LEU 26 1HD2 LEU 26 4.460 -0.722 -3.090 208 HD23 LEU 26 2HD2 LEU 26 3.431 -0.311 -4.461 209 H ARG 27 H ARG 27 5.995 1.135 -8.935 210 HA ARG 27 HA ARG 27 6.820 3.809 -8.521 211 HB2 ARG 27 2HB ARG 27 7.321 1.866 -10.263 212 HB3 ARG 27 1HB ARG 27 6.126 2.732 -11.225 213 HG2 ARG 27 2HG ARG 27 8.498 4.093 -9.939 214 HG3 ARG 27 1HG ARG 27 8.543 3.445 -11.579 215 HD2 ARG 27 2HD ARG 27 6.382 4.863 -11.957 216 HD3 ARG 27 1HD ARG 27 6.911 5.745 -10.511 217 HE ARG 27 HE ARG 27 8.707 5.354 -12.878 218 HH11 ARG 27 1HH1 ARG 27 6.839 7.818 -12.316 219 HH12 ARG 27 2HH1 ARG 27 8.022 8.948 -11.750 220 HH21 ARG 27 1HH2 ARG 27 10.480 6.548 -11.283 221 HH22 ARG 27 2HH2 ARG 27 10.084 8.230 -11.166 222 H ILE 28 H ILE 28 3.809 2.516 -9.927 223 HA ILE 28 HA ILE 28 2.762 4.892 -11.030 224 HB ILE 28 HB ILE 28 1.294 2.632 -9.650 225 HG12 ILE 28 2HG1 ILE 28 2.418 2.870 -12.457 226 HG13 ILE 28 1HG1 ILE 28 2.836 1.658 -11.243 227 HG21 ILE 28 1HG2 ILE 28 0.521 4.526 -11.883 228 HG22 ILE 28 2HG2 ILE 28 -0.119 4.543 -10.240 229 HG23 ILE 28 3HG2 ILE 28 -0.463 3.182 -11.308 230 HD11 ILE 28 3HD1 ILE 28 1.249 0.386 -12.252 231 HD12 ILE 28 1HD1 ILE 28 0.513 1.775 -13.051 232 HD13 ILE 28 2HD1 ILE 28 0.101 1.400 -11.376 233 H ARG 29 H ARG 29 2.772 3.722 -7.685 234 HA ARG 29 HA ARG 29 0.813 5.563 -6.652 235 HB2 ARG 29 2HB ARG 29 1.413 4.586 -4.600 236 HB3 ARG 29 1HB ARG 29 1.882 3.341 -5.758 237 HG2 ARG 29 2HG ARG 29 4.176 4.690 -5.749 238 HG3 ARG 29 1HG ARG 29 3.610 5.188 -4.161 239 HD2 ARG 29 2HD ARG 29 3.337 2.804 -3.513 240 HD3 ARG 29 1HD ARG 29 3.966 2.317 -5.096 241 HE ARG 29 HE ARG 29 5.683 2.863 -3.024 242 HH11 ARG 29 1HH1 ARG 29 6.848 2.597 -5.726 243 HH12 ARG 29 2HH1 ARG 29 7.563 4.149 -5.995 244 HH21 ARG 29 1HH2 ARG 29 5.780 5.712 -3.474 245 HH22 ARG 29 2HH2 ARG 29 6.960 5.909 -4.725 246 H ASP 30 H ASP 30 2.475 7.219 -8.233 247 HA ASP 30 HA ASP 30 4.661 8.475 -6.967 248 HB2 ASP 30 2HB ASP 30 2.701 9.005 -9.073 249 HB3 ASP 30 1HB ASP 30 3.231 10.486 -8.274 250 H ASN 31 H ASN 31 1.239 8.668 -6.279 251 HA ASN 31 HA ASN 31 1.276 11.121 -4.750 252 HB2 ASN 31 2HB ASN 31 -0.971 10.366 -4.117 253 HB3 ASN 31 1HB ASN 31 -0.699 10.060 -5.832 254 HD21 ASN 31 1HD2 ASN 31 -1.113 7.949 -6.519 255 HD22 ASN 31 2HD2 ASN 31 -1.210 6.599 -5.496 256 H VAL 32 H VAL 32 1.977 7.752 -3.948 257 HA VAL 32 HA VAL 32 1.813 8.235 -1.056 258 HB VAL 32 HB VAL 32 1.706 6.059 -2.829 259 HG11 VAL 32 1HG1 VAL 32 3.900 5.475 -0.848 260 HG12 VAL 32 2HG1 VAL 32 4.289 6.078 -2.459 261 HG13 VAL 32 3HG1 VAL 32 3.423 4.555 -2.275 262 HG21 VAL 32 3HG2 VAL 32 0.749 6.700 -0.406 263 HG22 VAL 32 1HG2 VAL 32 2.003 5.564 0.089 264 HG23 VAL 32 2HG2 VAL 32 0.732 5.046 -1.018 265 H ARG 33 H ARG 33 3.560 8.519 0.342 266 HA ARG 33 HA ARG 33 6.014 9.579 -0.830 267 HB2 ARG 33 2HB ARG 33 4.551 9.641 1.644 268 HB3 ARG 33 1HB ARG 33 6.234 9.230 1.977 269 HG2 ARG 33 2HG ARG 33 5.619 11.464 0.067 270 HG3 ARG 33 1HG ARG 33 5.526 11.761 1.803 271 HD2 ARG 33 2HD ARG 33 7.950 10.287 1.059 272 HD3 ARG 33 1HD ARG 33 7.854 11.884 0.290 273 HE ARG 33 HE ARG 33 7.605 11.437 3.242 274 HH11 ARG 33 1HH1 ARG 33 9.874 12.701 1.356 275 HH12 ARG 33 2HH1 ARG 33 9.739 14.349 1.872 276 HH21 ARG 33 1HH2 ARG 33 6.736 13.859 3.536 277 HH22 ARG 33 2HH2 ARG 33 7.962 15.005 3.106 278 H ARG 34 H ARG 34 5.235 6.667 1.168 279 HA ARG 34 HA ARG 34 7.700 5.409 0.072 280 HB2 ARG 34 2HB ARG 34 7.350 6.570 2.719 281 HB3 ARG 34 1HB ARG 34 7.791 4.865 2.811 282 HG2 ARG 34 2HG ARG 34 9.429 5.906 0.795 283 HG3 ARG 34 1HG ARG 34 9.428 7.144 2.052 284 HD2 ARG 34 2HD ARG 34 9.669 4.818 3.528 285 HD3 ARG 34 1HD ARG 34 10.646 4.469 2.087 286 HE ARG 34 HE ARG 34 11.496 6.963 2.610 287 HH11 ARG 34 1HH2 ARG 34 11.943 4.007 4.091 288 HH12 ARG 34 2HH2 ARG 34 12.603 4.636 5.564 289 HH21 ARG 34 1HH1 ARG 34 11.872 7.937 4.795 290 HH22 ARG 34 2HH1 ARG 34 12.563 6.859 5.962 291 H VAL 35 H VAL 35 7.686 3.135 0.202 292 HA VAL 35 HA VAL 35 5.315 1.794 1.430 293 HB VAL 35 HB VAL 35 4.966 2.324 -1.021 294 HG11 VAL 35 1HG1 VAL 35 7.272 0.380 -1.355 295 HG12 VAL 35 2HG1 VAL 35 7.347 2.112 -1.680 296 HG13 VAL 35 3HG1 VAL 35 6.308 1.076 -2.658 297 HG21 VAL 35 3HG2 VAL 35 5.137 -0.565 -1.202 298 HG22 VAL 35 1HG2 VAL 35 3.703 0.453 -1.070 299 HG23 VAL 35 2HG2 VAL 35 4.542 -0.081 0.385 300 H MET 36 H MET 36 5.982 -0.112 2.474 301 HA MET 36 HA MET 36 8.699 -1.107 1.833 302 HB2 MET 36 2HB MET 36 7.212 -0.774 4.437 303 HB3 MET 36 1HB MET 36 8.689 -1.724 4.309 304 HG2 MET 36 2HG MET 36 10.009 0.118 4.095 305 HG3 MET 36 1HG MET 36 8.837 0.955 3.077 306 HE1 MET 36 3HE MET 36 7.661 2.595 3.505 307 HE2 MET 36 1HE MET 36 7.245 3.400 5.024 308 HE3 MET 36 2HE MET 36 6.314 2.007 4.475 309 H VAL 37 H VAL 37 8.492 -3.059 0.829 310 HA VAL 37 HA VAL 37 6.355 -4.936 1.786 311 HB VAL 37 HB VAL 37 7.755 -4.924 -0.898 312 HG11 VAL 37 1HG1 VAL 37 5.175 -5.816 -1.222 313 HG12 VAL 37 2HG1 VAL 37 5.568 -6.415 0.390 314 HG13 VAL 37 3HG1 VAL 37 6.576 -6.863 -0.986 315 HG21 VAL 37 3HG2 VAL 37 5.858 -3.620 -1.759 316 HG22 VAL 37 1HG2 VAL 37 6.689 -2.713 -0.495 317 HG23 VAL 37 2HG2 VAL 37 5.168 -3.529 -0.139 318 H VAL 38 H VAL 38 7.098 -6.878 2.645 319 HA VAL 38 HA VAL 38 10.001 -7.523 2.224 320 HB VAL 38 HB VAL 38 8.258 -8.262 4.580 321 HG11 VAL 38 1HG1 VAL 38 11.010 -8.755 3.763 322 HG12 VAL 38 2HG1 VAL 38 10.072 -9.514 5.048 323 HG13 VAL 38 3HG1 VAL 38 10.917 -7.996 5.352 324 HG21 VAL 38 3HG2 VAL 38 8.615 -6.238 5.560 325 HG22 VAL 38 1HG2 VAL 38 8.908 -5.669 3.917 326 HG23 VAL 38 2HG2 VAL 38 10.263 -6.134 4.944 327 H ALA 39 H ALA 39 10.523 -9.803 2.145 328 HA ALA 39 HA ALA 39 8.493 -11.418 0.758 329 HB1 ALA 39 1HB ALA 39 11.415 -11.351 1.164 330 HB2 ALA 39 2HB ALA 39 10.489 -11.814 -0.263 331 HB3 ALA 39 3HB ALA 39 10.730 -12.972 1.044 332 H SER 40 H SER 40 7.878 -13.565 1.468 333 HA SER 40 HA SER 40 7.409 -13.776 4.331 334 HB2 SER 40 2HB SER 40 6.608 -16.118 3.441 335 HB3 SER 40 1HB SER 40 5.735 -14.666 2.958 336 HG SER 40 HG SER 40 6.519 -16.284 1.288 337 H THR 41 H THR 41 7.852 -16.360 5.034 338 HA THR 41 HA THR 41 10.831 -16.539 5.012 339 HB THR 41 HB THR 41 9.630 -16.324 7.159 340 HG1 THR 41 1HG THR 41 10.319 -18.646 7.856 341 HG21 THR 41 3HG2 THR 41 7.945 -18.341 5.899 342 HG22 THR 41 1HG2 THR 41 7.595 -17.290 7.272 343 HG23 THR 41 2HG2 THR 41 8.441 -18.818 7.522 344 H THR 42 H THR 42 8.239 -17.942 3.400 345 HA THR 42 HA THR 42 9.908 -20.265 2.659 346 HB THR 42 HB THR 42 7.391 -20.319 4.281 347 HG1 THR 42 1HG THR 42 8.971 -20.988 5.489 348 HG21 THR 42 3HG2 THR 42 6.878 -22.590 3.561 349 HG22 THR 42 1HG2 THR 42 8.231 -22.569 2.433 350 HG23 THR 42 2HG2 THR 42 6.841 -21.521 2.161 351 HA PRO 43 HA PRO 43 6.294 -20.120 -0.421 352 HB2 PRO 43 2HB PRO 43 4.144 -18.503 0.106 353 HB3 PRO 43 1HB PRO 43 4.249 -20.187 0.656 354 HG2 PRO 43 2HG PRO 43 4.769 -17.670 2.163 355 HG3 PRO 43 1HG PRO 43 3.953 -19.153 2.687 356 HD2 PRO 43 2HD PRO 43 6.512 -18.565 3.362 357 HD3 PRO 43 1HD PRO 43 5.920 -20.229 3.164 358 H GLY 44 H GLY 44 4.875 -17.897 -1.488 359 HA2 GLY 44 2HA GLY 44 7.052 -15.925 -1.791 360 HA3 GLY 44 1HA GLY 44 5.980 -16.380 -3.107 361 H ARG 45 H ARG 45 4.974 -15.796 0.226 362 HA ARG 45 HA ARG 45 3.108 -13.704 -0.757 363 HB2 ARG 45 2HB ARG 45 3.375 -15.572 1.545 364 HB3 ARG 45 1HB ARG 45 2.557 -14.043 1.872 365 HG2 ARG 45 2HG ARG 45 0.721 -14.689 0.741 366 HG3 ARG 45 1HG ARG 45 1.683 -15.197 -0.648 367 HD2 ARG 45 2HD ARG 45 2.237 -17.323 0.560 368 HD3 ARG 45 1HD ARG 45 1.131 -16.827 1.857 369 HE ARG 45 HE ARG 45 -0.667 -16.724 0.077 370 HH11 ARG 45 1HH1 ARG 45 1.356 -17.146 -2.185 371 HH12 ARG 45 2HH1 ARG 45 1.059 -18.805 -2.583 372 HH21 ARG 45 1HH2 ARG 45 -0.684 -19.470 0.337 373 HH22 ARG 45 2HH2 ARG 45 -0.095 -20.120 -1.157 374 H TYR 46 H TYR 46 3.367 -11.542 -0.221 375 HA TYR 46 HA TYR 46 5.700 -10.872 1.540 376 HB2 TYR 46 2HB TYR 46 4.455 -9.404 -0.781 377 HB3 TYR 46 1HB TYR 46 5.819 -8.827 0.154 378 HD1 TYR 46 2HD TYR 46 4.703 -11.770 -1.878 379 HD2 TYR 46 1HD TYR 46 7.995 -9.429 -0.421 380 HE1 TYR 46 2HE TYR 46 6.267 -13.096 -3.274 381 HE2 TYR 46 1HE TYR 46 9.555 -10.753 -1.814 382 HH TYR 46 HH TYR 46 9.762 -12.662 -3.036 383 H GLU 47 H GLU 47 5.484 -9.066 2.883 384 HA GLU 47 HA GLU 47 2.676 -8.400 3.667 385 HB2 GLU 47 2HB GLU 47 3.839 -7.695 5.797 386 HB3 GLU 47 1HB GLU 47 4.061 -9.397 5.401 387 HG2 GLU 47 2HG GLU 47 6.110 -7.819 4.120 388 HG3 GLU 47 1HG GLU 47 6.076 -7.473 5.850 389 H VAL 48 H VAL 48 2.046 -6.527 2.637 390 HA VAL 48 HA VAL 48 4.034 -4.468 1.927 391 HB VAL 48 HB VAL 48 1.041 -4.708 1.513 392 HG11 VAL 48 1HG1 VAL 48 1.083 -2.690 0.489 393 HG12 VAL 48 2HG1 VAL 48 2.595 -3.058 -0.340 394 HG13 VAL 48 3HG1 VAL 48 2.623 -2.437 1.310 395 HG21 VAL 48 3HG2 VAL 48 3.149 -6.164 0.386 396 HG22 VAL 48 1HG2 VAL 48 2.780 -4.927 -0.815 397 HG23 VAL 48 2HG2 VAL 48 1.516 -6.025 -0.263 398 H ASN 49 H ASN 49 4.462 -2.757 3.208 399 HA ASN 49 HA ASN 49 2.367 -1.738 5.070 400 HB2 ASN 49 2HB ASN 49 5.348 -1.918 5.625 401 HB3 ASN 49 1HB ASN 49 4.070 -1.533 6.777 402 HD21 ASN 49 1HD2 ASN 49 5.105 -4.207 4.585 403 HD22 ASN 49 2HD2 ASN 49 4.545 -5.449 5.598 404 H ILE 50 H ILE 50 1.900 0.061 3.822 405 HA ILE 50 HA ILE 50 4.189 1.867 3.111 406 HB ILE 50 HB ILE 50 3.064 0.731 1.215 407 HG12 ILE 50 2HG1 ILE 50 3.048 3.685 1.648 408 HG13 ILE 50 1HG1 ILE 50 3.952 2.733 0.474 409 HG21 ILE 50 1HG2 ILE 50 0.630 2.268 2.188 410 HG22 ILE 50 2HG2 ILE 50 0.839 0.521 2.306 411 HG23 ILE 50 3HG2 ILE 50 0.714 1.291 0.723 412 HD11 ILE 50 3HD1 ILE 50 1.173 3.808 0.318 413 HD12 ILE 50 1HD1 ILE 50 1.508 2.278 -0.489 414 HD13 ILE 50 2HD1 ILE 50 2.412 3.726 -0.933 415 H VAL 51 H VAL 51 3.888 4.102 3.424 416 HA VAL 51 HA VAL 51 1.607 4.858 5.210 417 HB VAL 51 HB VAL 51 3.904 5.113 6.071 418 HG11 VAL 51 1HG1 VAL 51 4.239 6.583 3.470 419 HG12 VAL 51 2HG1 VAL 51 5.278 5.355 4.192 420 HG13 VAL 51 3HG1 VAL 51 5.258 6.991 4.851 421 HG21 VAL 51 3HG2 VAL 51 2.064 7.363 5.633 422 HG22 VAL 51 1HG2 VAL 51 3.722 7.869 5.953 423 HG23 VAL 51 2HG2 VAL 51 2.873 6.850 7.113 424 H LEU 52 H LEU 52 0.420 6.821 4.717 425 HA LEU 52 HA LEU 52 0.958 7.920 1.974 426 HB2 LEU 52 2HB LEU 52 -1.709 7.182 3.200 427 HB3 LEU 52 1HB LEU 52 -1.471 7.852 1.589 428 HG LEU 52 HG LEU 52 0.183 5.793 1.347 429 HD11 LEU 52 1HD1 LEU 52 0.133 4.413 3.131 430 HD12 LEU 52 2HD1 LEU 52 -1.529 4.019 2.692 431 HD13 LEU 52 3HD1 LEU 52 -1.206 5.307 3.852 432 HD21 LEU 52 3HD2 LEU 52 -1.451 5.585 -0.215 433 HD22 LEU 52 1HD2 LEU 52 -2.691 6.192 0.883 434 HD23 LEU 52 2HD2 LEU 52 -2.221 4.493 0.937 435 H ASN 53 H ASN 53 -0.903 9.846 1.812 436 HA ASN 53 HA ASN 53 0.033 12.079 3.135 437 HB2 ASN 53 2HB ASN 53 -2.749 11.281 2.250 438 HB3 ASN 53 1HB ASN 53 -2.369 12.917 2.790 439 HD21 ASN 53 1HD2 ASN 53 -1.756 10.535 0.228 440 HD22 ASN 53 2HD2 ASN 53 -1.043 11.629 -0.856 441 HA PRO 54 HA PRO 54 -1.044 11.899 7.374 442 HB2 PRO 54 2HB PRO 54 -1.897 14.465 7.850 443 HB3 PRO 54 1HB PRO 54 -0.192 14.031 7.621 444 HG2 PRO 54 2HG PRO 54 -2.130 15.164 5.652 445 HG3 PRO 54 1HG PRO 54 -0.438 15.602 5.945 446 HD2 PRO 54 2HD PRO 54 -1.149 14.036 3.881 447 HD3 PRO 54 1HD PRO 54 0.379 13.789 4.760 448 H ASN 55 H ASN 55 -3.476 13.227 5.173 449 HA ASN 55 HA ASN 55 -5.623 12.324 7.063 450 HB2 ASN 55 2HB ASN 55 -5.392 14.764 6.363 451 HB3 ASN 55 1HB ASN 55 -5.809 14.249 4.729 452 HD21 ASN 55 1HD2 ASN 55 -7.303 15.832 7.020 453 HD22 ASN 55 2HD2 ASN 55 -8.838 15.109 7.027 454 H LEU 56 H LEU 56 -4.983 10.100 5.977 455 HA LEU 56 HA LEU 56 -5.577 9.574 3.235 456 HB2 LEU 56 2HB LEU 56 -5.775 7.831 5.709 457 HB3 LEU 56 1HB LEU 56 -5.719 7.236 4.053 458 HG LEU 56 HG LEU 56 -3.551 8.550 5.663 459 HD11 LEU 56 1HD1 LEU 56 -3.851 6.076 5.499 460 HD12 LEU 56 2HD1 LEU 56 -2.304 6.628 4.855 461 HD13 LEU 56 3HD1 LEU 56 -3.622 6.202 3.757 462 HD21 LEU 56 3HD2 LEU 56 -3.602 8.313 2.632 463 HD22 LEU 56 1HD2 LEU 56 -2.262 8.909 3.610 464 HD23 LEU 56 2HD2 LEU 56 -3.760 9.830 3.518 465 H ASP 57 H ASP 57 -7.404 7.607 3.094 466 HA ASP 57 HA ASP 57 -9.881 7.813 4.398 467 HB2 ASP 57 2HB ASP 57 -9.224 10.130 2.887 468 HB3 ASP 57 1HB ASP 57 -10.520 9.309 2.040 469 H GLN 58 H GLN 58 -11.743 7.354 2.610 470 HA GLN 58 HA GLN 58 -11.083 4.860 1.393 471 HB2 GLN 58 2HB GLN 58 -13.395 6.791 1.219 472 HB3 GLN 58 1HB GLN 58 -13.397 5.265 0.336 473 HG2 GLN 58 2HG GLN 58 -13.270 3.985 2.349 474 HG3 GLN 58 1HG GLN 58 -12.882 5.410 3.313 475 HE21 GLN 58 1HE2 GLN 58 -15.401 3.354 2.708 476 HE22 GLN 58 2HE2 GLN 58 -16.706 4.411 2.958 477 H SER 59 H SER 59 -11.216 8.156 0.181 478 HA SER 59 HA SER 59 -11.044 7.485 -2.608 479 HB2 SER 59 2HB SER 59 -10.034 10.070 -1.530 480 HB3 SER 59 1HB SER 59 -11.147 9.775 -2.862 481 HG SER 59 HG SER 59 -12.378 10.550 -1.216 482 H GLN 60 H GLN 60 -8.690 8.044 -0.034 483 HA GLN 60 HA GLN 60 -6.400 8.326 -1.798 484 HB2 GLN 60 2HB GLN 60 -6.806 7.684 1.136 485 HB3 GLN 60 1HB GLN 60 -5.210 7.904 0.421 486 HG2 GLN 60 2HG GLN 60 -7.414 9.970 0.208 487 HG3 GLN 60 1HG GLN 60 -6.198 9.986 1.485 488 HE21 GLN 60 1HE2 GLN 60 -4.006 10.570 0.906 489 HE22 GLN 60 2HE2 GLN 60 -3.611 11.186 -0.625 490 H LEU 61 H LEU 61 -7.708 5.605 0.157 491 HA LEU 61 HA LEU 61 -5.698 3.731 -0.745 492 HB2 LEU 61 2HB LEU 61 -7.304 2.051 0.133 493 HB3 LEU 61 1HB LEU 61 -6.996 3.356 1.283 494 HG LEU 61 HG LEU 61 -9.111 4.422 0.013 495 HD11 LEU 61 1HD1 LEU 61 -10.559 2.908 -0.936 496 HD12 LEU 61 2HD1 LEU 61 -10.022 1.586 0.098 497 HD13 LEU 61 3HD1 LEU 61 -9.049 2.069 -1.292 498 HD21 LEU 61 3HD2 LEU 61 -10.483 3.059 1.821 499 HD22 LEU 61 1HD2 LEU 61 -9.276 4.239 2.330 500 HD23 LEU 61 2HD2 LEU 61 -8.881 2.520 2.324 501 H ALA 62 H ALA 62 -8.877 4.710 -1.944 502 HA ALA 62 HA ALA 62 -9.370 2.684 -3.812 503 HB1 ALA 62 1HB ALA 62 -9.926 5.621 -3.574 504 HB2 ALA 62 2HB ALA 62 -11.064 4.275 -3.612 505 HB3 ALA 62 3HB ALA 62 -10.305 4.830 -5.105 506 H LEU 63 H LEU 63 -7.183 5.458 -3.936 507 HA LEU 63 HA LEU 63 -6.389 5.089 -6.669 508 HB2 LEU 63 2HB LEU 63 -5.418 6.538 -4.221 509 HB3 LEU 63 1HB LEU 63 -4.398 6.486 -5.654 510 HG LEU 63 HG LEU 63 -7.242 7.521 -5.526 511 HD11 LEU 63 1HD1 LEU 63 -4.639 8.739 -5.139 512 HD12 LEU 63 2HD1 LEU 63 -6.239 9.454 -4.947 513 HD13 LEU 63 3HD1 LEU 63 -5.459 9.453 -6.528 514 HD21 LEU 63 3HD2 LEU 63 -5.672 6.504 -7.717 515 HD22 LEU 63 1HD2 LEU 63 -5.924 8.235 -7.937 516 HD23 LEU 63 2HD2 LEU 63 -7.308 7.159 -7.750 517 H GLU 64 H GLU 64 -4.854 4.258 -3.535 518 HA GLU 64 HA GLU 64 -2.683 2.806 -4.726 519 HB2 GLU 64 2HB GLU 64 -4.040 2.684 -2.012 520 HB3 GLU 64 1HB GLU 64 -2.523 1.863 -2.382 521 HG2 GLU 64 2HG GLU 64 -2.792 4.797 -2.962 522 HG3 GLU 64 1HG GLU 64 -2.465 4.263 -1.313 523 H LYS 65 H LYS 65 -5.886 1.790 -3.514 524 HA LYS 65 HA LYS 65 -5.430 -1.012 -4.052 525 HB2 LYS 65 2HB LYS 65 -7.438 0.724 -2.971 526 HB3 LYS 65 1HB LYS 65 -8.203 -0.312 -4.176 527 HG2 LYS 65 2HG LYS 65 -8.175 -1.304 -1.868 528 HG3 LYS 65 1HG LYS 65 -7.364 -2.304 -3.075 529 HD2 LYS 65 2HD LYS 65 -5.377 -0.564 -2.132 530 HD3 LYS 65 1HD LYS 65 -6.268 -1.059 -0.692 531 HE2 LYS 65 2HE LYS 65 -5.042 -2.918 -2.763 532 HE3 LYS 65 1HE LYS 65 -4.498 -2.694 -1.089 533 HZ1 LYS 65 3HZ LYS 65 -5.930 -4.374 -0.690 534 HZ2 LYS 65 1HZ LYS 65 -6.834 -4.097 -2.098 535 HZ3 LYS 65 2HZ LYS 65 -7.098 -3.140 -0.720 536 H GLU 66 H GLU 66 -7.138 1.560 -5.895 537 HA GLU 66 HA GLU 66 -7.818 -0.185 -8.069 538 HB2 GLU 66 2HB GLU 66 -7.533 2.825 -7.854 539 HB3 GLU 66 1HB GLU 66 -8.293 1.991 -9.208 540 HG2 GLU 66 2HG GLU 66 -9.201 1.565 -6.358 541 HG3 GLU 66 1HG GLU 66 -9.866 2.847 -7.371 542 H ILE 67 H ILE 67 -5.114 2.057 -7.466 543 HA ILE 67 HA ILE 67 -3.946 1.632 -10.087 544 HB ILE 67 HB ILE 67 -2.885 2.830 -7.510 545 HG12 ILE 67 2HG1 ILE 67 -4.870 4.036 -8.160 546 HG13 ILE 67 1HG1 ILE 67 -3.521 4.988 -8.765 547 HG21 ILE 67 1HG2 ILE 67 -1.232 2.175 -9.356 548 HG22 ILE 67 2HG2 ILE 67 -1.205 3.858 -8.835 549 HG23 ILE 67 3HG2 ILE 67 -2.013 3.414 -10.337 550 HD11 ILE 67 3HD1 ILE 67 -5.080 4.846 -10.556 551 HD12 ILE 67 1HD1 ILE 67 -5.339 3.123 -10.286 552 HD13 ILE 67 2HD1 ILE 67 -3.807 3.692 -10.954 553 H ILE 68 H ILE 68 -3.226 0.363 -6.786 554 HA ILE 68 HA ILE 68 -0.881 -1.093 -7.688 555 HB ILE 68 HB ILE 68 -2.721 -1.374 -5.288 556 HG12 ILE 68 2HG1 ILE 68 -0.044 -0.015 -5.734 557 HG13 ILE 68 1HG1 ILE 68 -1.573 0.775 -5.354 558 HG21 ILE 68 1HG2 ILE 68 -1.601 -3.244 -4.751 559 HG22 ILE 68 2HG2 ILE 68 -0.087 -2.342 -4.790 560 HG23 ILE 68 3HG2 ILE 68 -0.681 -3.131 -6.250 561 HD11 ILE 68 3HD1 ILE 68 -1.455 -0.917 -3.269 562 HD12 ILE 68 1HD1 ILE 68 -0.711 0.681 -3.226 563 HD13 ILE 68 2HD1 ILE 68 0.273 -0.740 -3.575 564 H GLN 69 H GLN 69 -4.237 -2.121 -6.955 565 HA GLN 69 HA GLN 69 -3.934 -4.854 -7.662 566 HB2 GLN 69 2HB GLN 69 -6.242 -2.900 -7.732 567 HB3 GLN 69 1HB GLN 69 -6.453 -4.609 -8.104 568 HG2 GLN 69 2HG GLN 69 -4.942 -4.590 -5.749 569 HG3 GLN 69 1HG GLN 69 -6.151 -3.328 -5.513 570 HE21 GLN 69 1HE2 GLN 69 -5.697 -6.582 -5.024 571 HE22 GLN 69 2HE2 GLN 69 -7.309 -7.108 -5.104 572 H ARG 70 H ARG 70 -4.529 -1.990 -9.699 573 HA ARG 70 HA ARG 70 -5.286 -3.285 -12.078 574 HB2 ARG 70 2HB ARG 70 -4.472 -0.722 -11.170 575 HB3 ARG 70 1HB ARG 70 -3.498 -1.090 -12.594 576 HG2 ARG 70 2HG ARG 70 -5.261 -0.768 -13.955 577 HG3 ARG 70 1HG ARG 70 -6.237 -1.907 -13.027 578 HD2 ARG 70 2HD ARG 70 -7.025 -0.211 -11.558 579 HD3 ARG 70 1HD ARG 70 -5.757 0.924 -12.063 580 HE ARG 70 HE ARG 70 -8.251 0.554 -13.429 581 HH11 ARG 70 1HH2 ARG 70 -4.879 1.140 -13.822 582 HH12 ARG 70 2HH2 ARG 70 -5.030 1.708 -15.450 583 HH21 ARG 70 1HH1 ARG 70 -8.452 1.170 -15.605 584 HH22 ARG 70 2HH1 ARG 70 -7.052 1.726 -16.459 585 H ALA 71 H ALA 71 -1.983 -2.488 -10.921 586 HA ALA 71 HA ALA 71 -0.684 -3.756 -13.152 587 HB1 ALA 71 1HB ALA 71 0.016 -2.540 -10.529 588 HB2 ALA 71 2HB ALA 71 0.674 -2.200 -12.129 589 HB3 ALA 71 3HB ALA 71 1.211 -3.624 -11.239 590 H LEU 72 H LEU 72 -1.183 -4.739 -9.759 591 HA LEU 72 HA LEU 72 0.100 -7.238 -9.835 592 HB2 LEU 72 2HB LEU 72 -2.307 -6.230 -8.303 593 HB3 LEU 72 1HB LEU 72 -1.406 -7.688 -7.879 594 HG LEU 72 HG LEU 72 -0.140 -4.947 -8.132 595 HD11 LEU 72 1HD1 LEU 72 -1.747 -4.952 -6.276 596 HD12 LEU 72 2HD1 LEU 72 -0.098 -4.971 -5.650 597 HD13 LEU 72 3HD1 LEU 72 -1.053 -6.454 -5.662 598 HD21 LEU 72 3HD2 LEU 72 1.372 -6.565 -6.458 599 HD22 LEU 72 1HD2 LEU 72 1.723 -6.238 -8.155 600 HD23 LEU 72 2HD2 LEU 72 0.820 -7.684 -7.704 601 H GLU 73 H GLU 73 -3.310 -6.474 -10.550 602 HA GLU 73 HA GLU 73 -4.086 -9.186 -11.036 603 HB2 GLU 73 2HB GLU 73 -5.258 -6.614 -10.865 604 HB3 GLU 73 1HB GLU 73 -5.686 -7.242 -12.450 605 HG2 GLU 73 2HG GLU 73 -6.092 -8.669 -9.805 606 HG3 GLU 73 1HG GLU 73 -7.358 -7.906 -10.768 607 H ASN 74 H ASN 74 -3.157 -6.471 -13.157 608 HA ASN 74 HA ASN 74 -3.496 -7.820 -15.627 609 HB2 ASN 74 2HB ASN 74 -2.169 -5.442 -14.527 610 HB3 ASN 74 1HB ASN 74 -1.325 -6.109 -15.924 611 HD21 ASN 74 1HD2 ASN 74 -4.578 -5.012 -14.861 612 HD22 ASN 74 2HD2 ASN 74 -5.109 -4.587 -16.416 613 H TYR 75 H TYR 75 -0.871 -7.711 -13.254 614 HA TYR 75 HA TYR 75 0.989 -9.288 -14.840 615 HB2 TYR 75 2HB TYR 75 1.042 -7.626 -12.677 616 HB3 TYR 75 1HB TYR 75 1.185 -9.197 -11.902 617 HD1 TYR 75 2HD TYR 75 3.114 -10.661 -12.374 618 HD2 TYR 75 1HD TYR 75 2.711 -6.804 -14.205 619 HE1 TYR 75 2HE TYR 75 5.492 -10.751 -13.081 620 HE2 TYR 75 1HE TYR 75 5.090 -6.887 -14.914 621 HH TYR 75 HH TYR 75 7.180 -9.616 -13.992 622 H GLY 76 H GLY 76 -1.610 -9.977 -12.589 623 HA2 GLY 76 2HA GLY 76 -2.664 -12.191 -12.694 624 HA3 GLY 76 1HA GLY 76 -1.053 -12.858 -12.907 625 H ALA 77 H ALA 77 -0.669 -10.467 -10.693 626 HA ALA 77 HA ALA 77 -0.617 -12.397 -8.448 627 HB1 ALA 77 1HB ALA 77 0.381 -9.596 -8.984 628 HB2 ALA 77 2HB ALA 77 1.327 -11.055 -8.688 629 HB3 ALA 77 3HB ALA 77 0.445 -10.292 -7.364 630 H ARG 78 H ARG 78 -2.253 -12.471 -6.944 631 HA ARG 78 HA ARG 78 -4.117 -10.118 -6.802 632 HB2 ARG 78 2HB ARG 78 -4.942 -12.282 -7.836 633 HB3 ARG 78 1HB ARG 78 -4.724 -13.038 -6.257 634 HG2 ARG 78 2HG ARG 78 -6.212 -10.500 -6.170 635 HG3 ARG 78 1HG ARG 78 -7.023 -11.774 -7.081 636 HD2 ARG 78 2HD ARG 78 -7.193 -13.183 -5.216 637 HD3 ARG 78 1HD ARG 78 -5.839 -12.397 -4.379 638 HE ARG 78 HE ARG 78 -7.314 -10.424 -4.036 639 HH11 ARG 78 1HH2 ARG 78 -8.922 -12.799 -5.846 640 HH12 ARG 78 2HH2 ARG 78 -10.431 -12.642 -5.009 641 HH21 ARG 78 1HH1 ARG 78 -9.184 -10.457 -2.624 642 HH22 ARG 78 2HH1 ARG 78 -10.579 -11.316 -3.186 643 H VAL 79 H VAL 79 -4.788 -9.474 -4.700 644 HA VAL 79 HA VAL 79 -3.010 -10.292 -2.506 645 HB VAL 79 HB VAL 79 -5.365 -8.394 -2.428 646 HG11 VAL 79 1HG1 VAL 79 -3.839 -9.142 -0.402 647 HG12 VAL 79 2HG1 VAL 79 -4.315 -7.454 -0.583 648 HG13 VAL 79 3HG1 VAL 79 -2.712 -7.977 -1.097 649 HG21 VAL 79 3HG2 VAL 79 -2.585 -7.932 -3.548 650 HG22 VAL 79 1HG2 VAL 79 -3.680 -6.625 -3.097 651 HG23 VAL 79 2HG2 VAL 79 -4.122 -7.736 -4.391 652 H GLU 80 H GLU 80 -3.598 -11.889 -1.083 653 HA GLU 80 HA GLU 80 -6.274 -13.084 -1.228 654 HB2 GLU 80 2HB GLU 80 -5.253 -14.797 0.052 655 HB3 GLU 80 1HB GLU 80 -3.913 -14.154 -0.898 656 HG2 GLU 80 2HG GLU 80 -2.842 -13.888 1.073 657 HG3 GLU 80 1HG GLU 80 -3.927 -12.522 1.341 658 H LYS 81 H LYS 81 -4.838 -10.521 0.467 659 HA LYS 81 HA LYS 81 -6.992 -10.560 2.536 660 HB2 LYS 81 2HB LYS 81 -5.293 -9.934 4.113 661 HB3 LYS 81 1HB LYS 81 -4.643 -11.284 3.184 662 HG2 LYS 81 2HG LYS 81 -2.860 -9.936 2.810 663 HG3 LYS 81 1HG LYS 81 -3.909 -9.129 1.641 664 HD2 LYS 81 2HD LYS 81 -3.863 -7.251 2.880 665 HD3 LYS 81 1HD LYS 81 -4.536 -8.130 4.253 666 HE2 LYS 81 2HE LYS 81 -1.583 -8.069 3.533 667 HE3 LYS 81 1HE LYS 81 -2.337 -7.108 4.822 668 HZ1 LYS 81 3HZ LYS 81 -1.852 -8.957 6.022 669 HZ2 LYS 81 1HZ LYS 81 -1.889 -9.991 4.678 670 HZ3 LYS 81 2HZ LYS 81 -3.342 -9.475 5.392 671 H VAL 82 H VAL 82 -7.782 -8.444 3.087 672 HA VAL 82 HA VAL 82 -6.580 -6.119 1.651 673 HB VAL 82 HB VAL 82 -9.532 -6.822 1.660 674 HG11 VAL 82 1HG1 VAL 82 -9.803 -4.979 0.196 675 HG12 VAL 82 2HG1 VAL 82 -8.072 -4.876 -0.128 676 HG13 VAL 82 3HG1 VAL 82 -8.707 -4.383 1.442 677 HG21 VAL 82 3HG2 VAL 82 -8.469 -8.472 0.298 678 HG22 VAL 82 1HG2 VAL 82 -7.350 -7.292 -0.383 679 HG23 VAL 82 2HG2 VAL 82 -9.057 -7.245 -0.824 680 H GLU 83 H GLU 83 -6.012 -4.912 3.479 681 HA GLU 83 HA GLU 83 -8.206 -4.420 5.468 682 HB2 GLU 83 2HB GLU 83 -5.379 -5.295 5.738 683 HB3 GLU 83 1HB GLU 83 -5.947 -4.122 6.928 684 HG2 GLU 83 2HG GLU 83 -7.891 -5.595 7.414 685 HG3 GLU 83 1HG GLU 83 -7.244 -6.787 6.286 686 H GLU 84 H GLU 84 -8.803 -2.315 4.959 687 HA GLU 84 HA GLU 84 -6.699 -0.312 4.431 688 HB2 GLU 84 2HB GLU 84 -9.712 -0.357 4.119 689 HB3 GLU 84 1HB GLU 84 -8.716 1.050 3.746 690 HG2 GLU 84 2HG GLU 84 -8.544 0.160 1.669 691 HG3 GLU 84 1HG GLU 84 -7.407 -0.974 2.402 692 H LEU 85 H LEU 85 -5.976 -0.050 6.644 693 HA LEU 85 HA LEU 85 -8.043 1.040 8.521 694 HB2 LEU 85 2HB LEU 85 -5.281 -0.067 9.115 695 HB3 LEU 85 1HB LEU 85 -6.576 0.236 10.271 696 HG LEU 85 HG LEU 85 -7.174 -1.597 7.989 697 HD11 LEU 85 1HD1 LEU 85 -6.280 -3.453 9.610 698 HD12 LEU 85 2HD1 LEU 85 -5.256 -2.161 10.234 699 HD13 LEU 85 3HD1 LEU 85 -5.147 -2.630 8.538 700 HD21 LEU 85 3HD2 LEU 85 -8.865 -0.961 9.700 701 HD22 LEU 85 1HD2 LEU 85 -7.826 -1.640 10.954 702 HD23 LEU 85 2HD2 LEU 85 -8.526 -2.692 9.723 703 H GLY 86 H GLY 86 -6.854 2.606 10.175 704 HA2 GLY 86 2HA GLY 86 -5.581 4.554 10.544 705 HA3 GLY 86 1HA GLY 86 -4.667 4.178 9.085 706 H LEU 87 H LEU 87 -6.186 6.647 10.179 707 HA LEU 87 HA LEU 87 -6.847 7.801 7.682 708 HB2 LEU 87 2HB LEU 87 -9.381 7.863 8.124 709 HB3 LEU 87 1HB LEU 87 -8.720 6.310 7.613 710 HG LEU 87 HG LEU 87 -8.475 5.764 10.107 711 HD11 LEU 87 1HD1 LEU 87 -10.007 8.345 10.187 712 HD12 LEU 87 2HD1 LEU 87 -8.716 7.782 11.248 713 HD13 LEU 87 3HD1 LEU 87 -10.338 7.106 11.398 714 HD21 LEU 87 3HD2 LEU 87 -10.934 5.909 8.463 715 HD22 LEU 87 1HD2 LEU 87 -11.198 5.668 10.190 716 HD23 LEU 87 2HD2 LEU 87 -10.207 4.528 9.283 717 H ARG 88 H ARG 88 -5.432 8.530 9.992 718 HA ARG 88 HA ARG 88 -7.025 10.367 11.586 719 HB2 ARG 88 2HB ARG 88 -4.656 8.957 11.843 720 HB3 ARG 88 1HB ARG 88 -4.108 10.623 11.647 721 HG2 ARG 88 2HG ARG 88 -4.861 11.220 13.693 722 HG3 ARG 88 1HG ARG 88 -6.404 10.399 13.451 723 HD2 ARG 88 2HD ARG 88 -5.333 8.226 13.981 724 HD3 ARG 88 1HD ARG 88 -3.790 9.063 14.248 725 HE ARG 88 HE ARG 88 -4.764 10.168 16.180 726 HH11 ARG 88 1HH2 ARG 88 -5.609 7.225 16.477 727 HH12 ARG 88 2HH2 ARG 88 -7.268 7.412 16.937 728 HH21 ARG 88 1HH1 ARG 88 -7.442 10.735 15.964 729 HH22 ARG 88 2HH1 ARG 88 -8.304 9.396 16.647 730 H ARG 89 H ARG 89 -6.000 12.707 11.792 731 HA ARG 89 HA ARG 89 -5.377 13.726 9.041 732 HB2 ARG 89 2HB ARG 89 -7.057 15.125 11.129 733 HB3 ARG 89 1HB ARG 89 -6.920 15.509 9.414 734 HG2 ARG 89 2HG ARG 89 -7.934 13.293 8.872 735 HG3 ARG 89 1HG ARG 89 -8.164 13.010 10.598 736 HD2 ARG 89 2HD ARG 89 -9.411 15.315 10.563 737 HD3 ARG 89 1HD ARG 89 -9.540 15.014 8.819 738 HE ARG 89 HE ARG 89 -10.318 12.611 9.820 739 HH11 ARG 89 1HH2 ARG 89 -12.073 15.122 8.992 740 HH12 ARG 89 2HH2 ARG 89 -13.250 15.056 10.259 741 HH21 ARG 89 1HH1 ARG 89 -11.433 12.821 12.190 742 HH22 ARG 89 2HH1 ARG 89 -12.889 13.752 12.071 743 H LEU 90 H LEU 90 -3.179 14.097 9.406 744 HA LEU 90 HA LEU 90 -2.493 15.966 11.654 745 HB2 LEU 90 2HB LEU 90 -1.652 13.461 11.473 746 HB3 LEU 90 1HB LEU 90 -0.511 14.150 10.315 747 HG LEU 90 HG LEU 90 0.502 14.175 12.530 748 HD11 LEU 90 1HD1 LEU 90 0.497 16.256 10.860 749 HD12 LEU 90 2HD1 LEU 90 1.281 16.350 12.437 750 HD13 LEU 90 3HD1 LEU 90 -0.331 17.028 12.212 751 HD21 LEU 90 3HD2 LEU 90 -0.807 14.420 14.346 752 HD22 LEU 90 1HD2 LEU 90 -2.182 14.834 13.320 753 HD23 LEU 90 2HD2 LEU 90 -1.093 16.099 13.891 754 H ALA 91 H ALA 91 -2.752 17.870 10.356 755 HA ALA 91 HA ALA 91 -0.722 18.155 8.165 756 HB1 ALA 91 1HB ALA 91 -3.634 18.881 8.365 757 HB2 ALA 91 2HB ALA 91 -2.779 18.078 7.047 758 HB3 ALA 91 3HB ALA 91 -2.576 19.811 7.303 759 H TYR 92 H TYR 92 -0.416 20.646 7.738 760 HA TYR 92 HA TYR 92 0.214 21.890 10.348 761 HB2 TYR 92 2HB TYR 92 0.912 22.324 7.448 762 HB3 TYR 92 1HB TYR 92 1.263 23.578 8.639 763 HD1 TYR 92 1HD TYR 92 2.036 22.173 11.023 764 HD2 TYR 92 2HD TYR 92 2.898 21.189 6.931 765 HE1 TYR 92 1HE TYR 92 4.054 20.928 11.747 766 HE2 TYR 92 2HE TYR 92 4.917 19.942 7.658 767 HH TYR 92 HH TYR 92 6.049 19.143 9.412 768 HA PRO 93 HA PRO 93 -3.192 24.653 10.260 769 HB2 PRO 93 2HB PRO 93 -2.114 26.793 11.581 770 HB3 PRO 93 1HB PRO 93 -2.561 25.281 12.395 771 HG2 PRO 93 2HG PRO 93 0.119 26.244 11.532 772 HG3 PRO 93 1HG PRO 93 -0.346 25.356 12.991 773 HD2 PRO 93 2HD PRO 93 0.836 24.192 10.823 774 HD3 PRO 93 1HD PRO 93 -0.233 23.325 11.948 775 H ILE 94 H ILE 94 -2.089 24.675 7.757 776 HA ILE 94 HA ILE 94 -1.783 27.596 7.135 777 HB ILE 94 HB ILE 94 0.253 26.049 6.940 778 HG12 ILE 94 2HG1 ILE 94 0.027 28.247 5.774 779 HG13 ILE 94 1HG1 ILE 94 0.975 27.083 4.846 780 HG21 ILE 94 1HG2 ILE 94 0.349 24.500 5.130 781 HG22 ILE 94 2HG2 ILE 94 -1.156 25.104 4.436 782 HG23 ILE 94 3HG2 ILE 94 -1.185 24.180 5.938 783 HD11 ILE 94 3HD1 ILE 94 -0.509 27.989 3.249 784 HD12 ILE 94 1HD1 ILE 94 -1.863 27.990 4.379 785 HD13 ILE 94 2HD1 ILE 94 -1.272 26.468 3.711 786 H ALA 95 H ALA 95 -3.493 28.314 5.935 787 HA ALA 95 HA ALA 95 -5.671 26.906 4.981 788 HB1 ALA 95 1HB ALA 95 -4.340 29.194 3.505 789 HB2 ALA 95 2HB ALA 95 -5.199 29.408 5.029 790 HB3 ALA 95 3HB ALA 95 -6.064 28.840 3.603 791 H LYS 96 H LYS 96 -3.163 28.004 2.672 792 HA LYS 96 HA LYS 96 -3.654 25.494 1.106 793 HB2 LYS 96 2HB LYS 96 -4.327 27.540 -0.022 794 HB3 LYS 96 1HB LYS 96 -2.771 28.292 0.329 795 HG2 LYS 96 2HG LYS 96 -1.627 26.622 -1.065 796 HG3 LYS 96 1HG LYS 96 -3.166 25.823 -1.389 797 HD2 LYS 96 2HD LYS 96 -2.935 27.178 -3.277 798 HD3 LYS 96 1HD LYS 96 -3.914 28.198 -2.222 799 HE2 LYS 96 2HE LYS 96 -2.309 29.792 -2.322 800 HE3 LYS 96 1HE LYS 96 -1.166 28.663 -1.566 801 HZ1 LYS 96 3HZ LYS 96 -0.313 29.205 -3.710 802 HZ2 LYS 96 1HZ LYS 96 -1.808 28.905 -4.456 803 HZ3 LYS 96 2HZ LYS 96 -0.916 27.618 -3.798 Start of MODEL 7 1 H1 MET 1 1HT MET 1 2.827 6.193 10.363 2 H2 MET 1 2HT MET 1 3.080 7.477 11.446 3 H3 MET 1 3HT MET 1 2.146 7.714 10.047 4 HA MET 1 HA MET 1 0.387 6.362 10.863 5 HB2 MET 1 2HB MET 1 2.315 4.850 11.841 6 HB3 MET 1 1HB MET 1 2.023 5.776 13.315 7 HG2 MET 1 2HG MET 1 -0.371 4.705 11.902 8 HG3 MET 1 1HG MET 1 0.651 3.537 12.738 9 HE1 MET 1 2HE MET 1 1.520 4.010 15.302 10 HE2 MET 1 3HE MET 1 0.260 2.848 14.895 11 HE3 MET 1 1HE MET 1 0.079 3.896 16.310 12 H ASP 2 H ASP 2 2.550 8.118 13.124 13 HA ASP 2 HA ASP 2 0.352 9.245 14.646 14 HB2 ASP 2 2HB ASP 2 2.890 8.814 15.195 15 HB3 ASP 2 1HB ASP 2 3.117 10.412 14.489 16 HA PRO 3 HA PRO 3 1.223 13.083 11.986 17 HB2 PRO 3 2HB PRO 3 2.835 12.833 9.796 18 HB3 PRO 3 1HB PRO 3 3.463 13.202 11.414 19 HG2 PRO 3 2HG PRO 3 3.560 10.684 9.884 20 HG3 PRO 3 1HG PRO 3 4.659 11.299 11.125 21 HD2 PRO 3 2HD PRO 3 2.670 9.340 11.464 22 HD3 PRO 3 1HD PRO 3 3.582 10.160 12.747 23 H GLN 4 H GLN 4 0.029 10.185 11.148 24 HA GLN 4 HA GLN 4 -1.774 11.258 9.129 25 HB2 GLN 4 2HB GLN 4 -0.927 9.950 7.258 26 HB3 GLN 4 1HB GLN 4 0.394 10.925 7.901 27 HG2 GLN 4 2HG GLN 4 0.385 8.506 9.376 28 HG3 GLN 4 1HG GLN 4 0.217 8.059 7.677 29 HE21 GLN 4 1HE2 GLN 4 1.733 9.971 6.357 30 HE22 GLN 4 2HE2 GLN 4 3.347 9.907 6.876 31 H GLY 5 H GLY 5 -2.475 8.821 7.888 32 HA2 GLY 5 2HA GLY 5 -3.302 7.154 10.237 33 HA3 GLY 5 1HA GLY 5 -4.374 7.472 8.872 34 H TYR 6 H TYR 6 -0.909 6.626 8.838 35 HA TYR 6 HA TYR 6 -1.151 4.799 6.661 36 HB2 TYR 6 2HB TYR 6 0.986 5.624 7.008 37 HB3 TYR 6 1HB TYR 6 0.834 5.562 8.761 38 HD1 TYR 6 2HD TYR 6 0.179 2.814 6.319 39 HD2 TYR 6 1HD TYR 6 2.757 4.331 9.400 40 HE1 TYR 6 2HE TYR 6 1.411 0.661 6.350 41 HE2 TYR 6 1HE TYR 6 3.988 2.180 9.430 42 HH TYR 6 HH TYR 6 2.903 -0.587 7.514 43 H PHE 7 H PHE 7 -2.721 3.160 7.023 44 HA PHE 7 HA PHE 7 -1.935 1.103 8.978 45 HB2 PHE 7 2HB PHE 7 -3.943 2.983 9.443 46 HB3 PHE 7 1HB PHE 7 -4.814 1.540 8.927 47 HD1 PHE 7 2HD PHE 7 -3.251 -0.673 9.907 48 HD2 PHE 7 1HD PHE 7 -4.033 3.114 11.777 49 HE1 PHE 7 2HE PHE 7 -2.883 -1.698 12.134 50 HE2 PHE 7 1HE PHE 7 -3.665 2.088 14.005 51 HZ PHE 7 HZ PHE 7 -3.090 -0.319 14.184 52 H LEU 8 H LEU 8 -1.831 1.277 6.055 53 HA LEU 8 HA LEU 8 -3.940 -0.599 5.202 54 HB2 LEU 8 2HB LEU 8 -1.955 1.170 3.758 55 HB3 LEU 8 1HB LEU 8 -3.056 0.074 2.925 56 HG LEU 8 HG LEU 8 -4.153 2.193 2.934 57 HD11 LEU 8 1HD1 LEU 8 -6.168 1.665 4.004 58 HD12 LEU 8 2HD1 LEU 8 -5.353 0.918 5.378 59 HD13 LEU 8 3HD1 LEU 8 -5.408 0.083 3.825 60 HD21 LEU 8 3HD2 LEU 8 -4.071 2.503 5.901 61 HD22 LEU 8 1HD2 LEU 8 -4.067 3.738 4.643 62 HD23 LEU 8 2HD2 LEU 8 -2.585 2.857 5.019 63 H TRP 9 H TRP 9 -3.399 -2.753 4.984 64 HA TRP 9 HA TRP 9 -0.496 -3.435 4.616 65 HB2 TRP 9 2HB TRP 9 -1.835 -3.877 6.862 66 HB3 TRP 9 1HB TRP 9 -2.460 -5.262 5.965 67 HD1 TRP 9 HD TRP 9 -0.054 -6.275 4.397 68 HE1 TRP 9 1HE TRP 9 2.047 -7.211 5.565 69 HE3 TRP 9 3HE TRP 9 -0.566 -4.111 8.995 70 HZ2 TRP 9 2HZ TRP 9 3.337 -7.060 8.117 71 HZ3 TRP 9 3HZ TRP 9 1.112 -4.523 10.772 72 HH2 TRP 9 HH TRP 9 3.061 -5.993 10.339 73 H TYR 10 H TYR 10 -0.098 -4.680 2.818 74 HA TYR 10 HA TYR 10 -2.416 -6.096 1.540 75 HB2 TYR 10 2HB TYR 10 -0.689 -3.977 0.627 76 HB3 TYR 10 1HB TYR 10 -0.454 -5.398 -0.391 77 HD1 TYR 10 2HD TYR 10 -3.473 -4.133 1.419 78 HD2 TYR 10 1HD TYR 10 -1.673 -5.063 -2.368 79 HE1 TYR 10 2HE TYR 10 -5.631 -3.676 0.281 80 HE2 TYR 10 1HE TYR 10 -3.828 -4.605 -3.506 81 HH TYR 10 HH TYR 10 -6.115 -4.417 -3.101 82 H GLN 11 H GLN 11 -2.021 -8.239 1.042 83 HA GLN 11 HA GLN 11 0.776 -9.210 1.204 84 HB2 GLN 11 2HB GLN 11 -0.786 -9.783 3.116 85 HB3 GLN 11 1HB GLN 11 -1.747 -10.701 1.954 86 HG2 GLN 11 2HG GLN 11 0.295 -12.036 1.392 87 HG3 GLN 11 1HG GLN 11 1.159 -11.185 2.675 88 HE21 GLN 11 1HE2 GLN 11 1.349 -13.458 3.641 89 HE22 GLN 11 2HE2 GLN 11 0.051 -14.041 4.566 90 H VAL 12 H VAL 12 1.198 -11.122 -0.212 91 HA VAL 12 HA VAL 12 -0.826 -11.484 -2.378 92 HB VAL 12 HB VAL 12 0.854 -11.113 -4.063 93 HG11 VAL 12 1HG1 VAL 12 1.228 -9.004 -1.929 94 HG12 VAL 12 2HG1 VAL 12 -0.196 -9.122 -2.965 95 HG13 VAL 12 3HG1 VAL 12 1.386 -8.792 -3.674 96 HG21 VAL 12 3HG2 VAL 12 2.761 -11.049 -1.714 97 HG22 VAL 12 1HG2 VAL 12 3.193 -10.411 -3.302 98 HG23 VAL 12 2HG2 VAL 12 2.803 -12.122 -3.113 99 H GLU 13 H GLU 13 0.247 -13.267 -3.943 100 HA GLU 13 HA GLU 13 1.496 -15.413 -2.274 101 HB2 GLU 13 2HB GLU 13 -0.869 -15.798 -2.120 102 HB3 GLU 13 1HB GLU 13 -1.095 -15.497 -3.843 103 HG2 GLU 13 2HG GLU 13 -0.440 -17.599 -4.423 104 HG3 GLU 13 1HG GLU 13 0.832 -17.643 -3.201 105 H MET 14 H MET 14 3.006 -14.064 -4.076 106 HA MET 14 HA MET 14 3.177 -15.923 -6.417 107 HB2 MET 14 2HB MET 14 3.780 -13.946 -7.721 108 HB3 MET 14 1HB MET 14 2.232 -13.673 -6.929 109 HG2 MET 14 2HG MET 14 4.149 -12.839 -5.064 110 HG3 MET 14 1HG MET 14 4.739 -12.236 -6.613 111 HE1 MET 14 3HE MET 14 3.493 -10.125 -7.953 112 HE2 MET 14 1HE MET 14 4.649 -10.133 -6.614 113 HE3 MET 14 2HE MET 14 3.274 -9.032 -6.588 114 HA PRO 15 HA PRO 15 7.399 -16.334 -5.286 115 HB2 PRO 15 2HB PRO 15 8.588 -16.622 -7.721 116 HB3 PRO 15 1HB PRO 15 7.684 -17.888 -6.911 117 HG2 PRO 15 2HG PRO 15 6.898 -16.142 -9.162 118 HG3 PRO 15 1HG PRO 15 6.404 -17.804 -8.813 119 HD2 PRO 15 2HD PRO 15 4.849 -15.560 -8.363 120 HD3 PRO 15 1HD PRO 15 4.619 -17.133 -7.571 121 H GLU 16 H GLU 16 9.609 -15.674 -6.106 122 HA GLU 16 HA GLU 16 9.935 -12.841 -5.864 123 HB2 GLU 16 2HB GLU 16 11.418 -14.968 -5.353 124 HB3 GLU 16 1HB GLU 16 11.988 -14.687 -6.997 125 HG2 GLU 16 2HG GLU 16 13.371 -13.095 -6.200 126 HG3 GLU 16 1HG GLU 16 11.953 -12.155 -5.729 127 H ASP 17 H ASP 17 9.629 -15.024 -8.543 128 HA ASP 17 HA ASP 17 10.935 -13.600 -10.600 129 HB2 ASP 17 2HB ASP 17 10.117 -15.912 -10.734 130 HB3 ASP 17 1HB ASP 17 8.452 -15.335 -10.668 131 H ARG 18 H ARG 18 7.536 -13.404 -9.556 132 HA ARG 18 HA ARG 18 7.056 -11.202 -11.466 133 HB2 ARG 18 2HB ARG 18 4.843 -11.756 -11.215 134 HB3 ARG 18 1HB ARG 18 5.574 -13.277 -10.720 135 HG2 ARG 18 2HG ARG 18 5.161 -12.878 -8.443 136 HG3 ARG 18 1HG ARG 18 4.965 -11.142 -8.683 137 HD2 ARG 18 2HD ARG 18 2.755 -12.228 -8.363 138 HD3 ARG 18 1HD ARG 18 2.896 -11.583 -10.010 139 HE ARG 18 HE ARG 18 3.684 -14.415 -9.505 140 HH11 ARG 18 1HH2 ARG 18 0.689 -13.416 -9.802 141 HH12 ARG 18 2HH2 ARG 18 0.405 -13.905 -11.439 142 HH21 ARG 18 1HH1 ARG 18 3.755 -14.461 -12.137 143 HH22 ARG 18 2HH1 ARG 18 2.140 -14.498 -12.760 144 H VAL 19 H VAL 19 8.126 -11.449 -8.264 145 HA VAL 19 HA VAL 19 6.937 -9.433 -6.785 146 HB VAL 19 HB VAL 19 9.806 -10.289 -7.159 147 HG11 VAL 19 1HG1 VAL 19 8.779 -8.358 -5.053 148 HG12 VAL 19 2HG1 VAL 19 9.765 -7.891 -6.439 149 HG13 VAL 19 3HG1 VAL 19 10.429 -8.962 -5.206 150 HG21 VAL 19 3HG2 VAL 19 9.418 -11.268 -4.919 151 HG22 VAL 19 1HG2 VAL 19 8.234 -11.845 -6.089 152 HG23 VAL 19 2HG2 VAL 19 7.783 -10.607 -4.921 153 H ASN 20 H ASN 20 9.207 -9.015 -9.483 154 HA ASN 20 HA ASN 20 9.814 -6.283 -9.279 155 HB2 ASN 20 2HB ASN 20 9.639 -8.371 -11.343 156 HB3 ASN 20 1HB ASN 20 9.422 -6.742 -11.986 157 HD21 ASN 20 1HD2 ASN 20 11.213 -5.199 -11.706 158 HD22 ASN 20 2HD2 ASN 20 12.777 -5.743 -11.330 159 H ASP 21 H ASP 21 6.808 -7.846 -10.159 160 HA ASP 21 HA ASP 21 5.458 -5.760 -11.500 161 HB2 ASP 21 2HB ASP 21 4.742 -8.127 -11.200 162 HB3 ASP 21 1HB ASP 21 4.405 -7.785 -9.508 163 H LEU 22 H LEU 22 5.632 -6.521 -8.018 164 HA LEU 22 HA LEU 22 3.944 -4.441 -7.069 165 HB2 LEU 22 2HB LEU 22 6.441 -5.694 -5.876 166 HB3 LEU 22 1HB LEU 22 5.221 -4.806 -4.961 167 HG LEU 22 HG LEU 22 3.824 -6.718 -6.512 168 HD11 LEU 22 1HD1 LEU 22 5.302 -8.401 -6.778 169 HD12 LEU 22 2HD1 LEU 22 5.222 -8.619 -5.030 170 HD13 LEU 22 3HD1 LEU 22 6.490 -7.617 -5.737 171 HD21 LEU 22 3HD2 LEU 22 3.271 -5.802 -4.242 172 HD22 LEU 22 1HD2 LEU 22 4.554 -6.806 -3.568 173 HD23 LEU 22 2HD2 LEU 22 3.153 -7.559 -4.330 174 H ALA 23 H ALA 23 7.446 -4.416 -7.774 175 HA ALA 23 HA ALA 23 7.980 -1.770 -6.889 176 HB1 ALA 23 1HB ALA 23 10.045 -2.100 -8.027 177 HB2 ALA 23 2HB ALA 23 9.302 -3.171 -9.214 178 HB3 ALA 23 3HB ALA 23 9.537 -3.721 -7.555 179 H ARG 24 H ARG 24 7.316 -3.014 -10.179 180 HA ARG 24 HA ARG 24 7.237 -0.510 -11.499 181 HB2 ARG 24 2HB ARG 24 6.523 -3.314 -11.945 182 HB3 ARG 24 1HB ARG 24 5.456 -2.205 -12.809 183 HG2 ARG 24 2HG ARG 24 8.150 -1.257 -13.065 184 HG3 ARG 24 1HG ARG 24 8.111 -2.967 -13.502 185 HD2 ARG 24 2HD ARG 24 5.793 -1.782 -14.652 186 HD3 ARG 24 1HD ARG 24 7.168 -0.730 -15.041 187 HE ARG 24 HE ARG 24 8.349 -2.813 -15.847 188 HH11 ARG 24 1HH2 ARG 24 6.289 -2.273 -17.854 189 HH12 ARG 24 2HH2 ARG 24 5.404 -3.760 -17.935 190 HH21 ARG 24 1HH1 ARG 24 6.619 -4.954 -14.916 191 HH22 ARG 24 2HH1 ARG 24 5.591 -5.277 -16.272 192 H GLU 25 H GLU 25 4.636 -2.484 -10.085 193 HA GLU 25 HA GLU 25 2.447 -0.787 -10.674 194 HB2 GLU 25 2HB GLU 25 2.221 -3.078 -9.924 195 HB3 GLU 25 1HB GLU 25 3.054 -2.713 -8.418 196 HG2 GLU 25 2HG GLU 25 0.623 -1.115 -9.087 197 HG3 GLU 25 1HG GLU 25 0.395 -2.776 -8.540 198 H LEU 26 H LEU 26 4.446 -1.045 -7.754 199 HA LEU 26 HA LEU 26 3.261 0.959 -6.166 200 HB2 LEU 26 2HB LEU 26 6.058 -0.125 -6.496 201 HB3 LEU 26 1HB LEU 26 5.697 1.098 -5.275 202 HG LEU 26 HG LEU 26 4.170 -1.504 -5.533 203 HD11 LEU 26 1HD1 LEU 26 6.076 -2.432 -4.714 204 HD12 LEU 26 2HD1 LEU 26 5.595 -1.671 -3.198 205 HD13 LEU 26 3HD1 LEU 26 6.754 -0.869 -4.259 206 HD21 LEU 26 3HD2 LEU 26 2.881 -0.715 -3.847 207 HD22 LEU 26 1HD2 LEU 26 3.558 0.869 -4.228 208 HD23 LEU 26 2HD2 LEU 26 4.280 -0.116 -2.956 209 H ARG 27 H ARG 27 5.682 1.278 -8.754 210 HA ARG 27 HA ARG 27 6.318 4.027 -8.347 211 HB2 ARG 27 2HB ARG 27 7.514 3.740 -10.301 212 HB3 ARG 27 1HB ARG 27 7.211 2.048 -9.922 213 HG2 ARG 27 2HG ARG 27 4.993 2.487 -11.323 214 HG3 ARG 27 1HG ARG 27 5.968 3.772 -12.030 215 HD2 ARG 27 2HD ARG 27 7.520 1.334 -11.828 216 HD3 ARG 27 1HD ARG 27 6.017 1.051 -12.730 217 HE ARG 27 HE ARG 27 6.676 3.222 -13.995 218 HH11 ARG 27 1HH1 ARG 27 9.258 2.561 -12.092 219 HH12 ARG 27 2HH1 ARG 27 10.398 2.275 -13.365 220 HH21 ARG 27 1HH2 ARG 27 7.991 2.190 -15.860 221 HH22 ARG 27 2HH2 ARG 27 9.680 2.064 -15.497 222 H ILE 28 H ILE 28 3.619 2.502 -10.089 223 HA ILE 28 HA ILE 28 2.646 4.749 -11.487 224 HB ILE 28 HB ILE 28 1.037 2.553 -10.161 225 HG12 ILE 28 2HG1 ILE 28 2.701 2.538 -12.696 226 HG13 ILE 28 1HG1 ILE 28 2.815 1.432 -11.326 227 HG21 ILE 28 1HG2 ILE 28 -0.289 4.327 -11.189 228 HG22 ILE 28 2HG2 ILE 28 -0.395 2.867 -12.172 229 HG23 ILE 28 3HG2 ILE 28 0.647 4.198 -12.677 230 HD11 ILE 28 3HD1 ILE 28 0.660 1.602 -13.424 231 HD12 ILE 28 1HD1 ILE 28 0.341 0.853 -11.859 232 HD13 ILE 28 2HD1 ILE 28 1.591 0.194 -12.915 233 H ARG 29 H ARG 29 1.886 3.589 -8.203 234 HA ARG 29 HA ARG 29 0.102 5.855 -7.676 235 HB2 ARG 29 2HB ARG 29 -0.038 4.798 -5.437 236 HB3 ARG 29 1HB ARG 29 -0.264 3.615 -6.721 237 HG2 ARG 29 2HG ARG 29 2.163 3.016 -6.517 238 HG3 ARG 29 1HG ARG 29 2.271 4.094 -5.128 239 HD2 ARG 29 2HD ARG 29 -0.005 2.399 -4.744 240 HD3 ARG 29 1HD ARG 29 1.385 1.378 -5.164 241 HE ARG 29 HE ARG 29 2.541 3.053 -3.389 242 HH11 ARG 29 1HH1 ARG 29 1.842 0.378 -2.386 243 HH12 ARG 29 2HH1 ARG 29 0.744 0.717 -1.090 244 HH21 ARG 29 1HH2 ARG 29 0.105 3.963 -2.127 245 HH22 ARG 29 2HH2 ARG 29 -0.240 2.746 -0.944 246 H ASP 30 H ASP 30 2.108 7.295 -8.355 247 HA ASP 30 HA ASP 30 4.344 7.734 -6.693 248 HB2 ASP 30 2HB ASP 30 4.396 9.894 -7.772 249 HB3 ASP 30 1HB ASP 30 3.725 8.755 -8.941 250 H ASN 31 H ASN 31 0.976 8.474 -6.174 251 HA ASN 31 HA ASN 31 1.127 10.527 -4.223 252 HB2 ASN 31 2HB ASN 31 -0.977 9.944 -5.144 253 HB3 ASN 31 1HB ASN 31 -0.749 8.231 -4.795 254 HD21 ASN 31 1HD2 ASN 31 -1.402 7.462 -2.732 255 HD22 ASN 31 2HD2 ASN 31 -2.059 8.460 -1.527 256 H VAL 32 H VAL 32 2.233 7.282 -4.049 257 HA VAL 32 HA VAL 32 1.873 6.896 -1.184 258 HB VAL 32 HB VAL 32 2.125 5.235 -3.199 259 HG11 VAL 32 1HG1 VAL 32 4.439 4.445 -3.519 260 HG12 VAL 32 2HG1 VAL 32 5.021 5.713 -2.439 261 HG13 VAL 32 3HG1 VAL 32 4.284 6.140 -3.984 262 HG21 VAL 32 3HG2 VAL 32 3.319 3.597 -1.615 263 HG22 VAL 32 1HG2 VAL 32 1.833 4.343 -1.036 264 HG23 VAL 32 2HG2 VAL 32 3.394 4.944 -0.479 265 H ARG 33 H ARG 33 3.186 7.753 0.375 266 HA ARG 33 HA ARG 33 5.546 9.316 -0.336 267 HB2 ARG 33 2HB ARG 33 4.327 10.245 1.410 268 HB3 ARG 33 1HB ARG 33 3.877 8.673 2.067 269 HG2 ARG 33 2HG ARG 33 6.199 8.351 2.855 270 HG3 ARG 33 1HG ARG 33 6.620 9.950 2.241 271 HD2 ARG 33 2HD ARG 33 4.828 10.920 3.735 272 HD3 ARG 33 1HD ARG 33 4.642 9.308 4.454 273 HE ARG 33 HE ARG 33 7.424 10.064 4.379 274 HH11 ARG 33 1HH2 ARG 33 5.389 8.941 6.568 275 HH12 ARG 33 2HH2 ARG 33 5.705 10.090 7.826 276 HH21 ARG 33 1HH1 ARG 33 7.425 12.281 5.764 277 HH22 ARG 33 2HH1 ARG 33 6.856 11.979 7.372 278 H ARG 34 H ARG 34 4.921 6.295 1.487 279 HA ARG 34 HA ARG 34 7.663 5.369 0.828 280 HB2 ARG 34 2HB ARG 34 7.029 6.683 3.225 281 HB3 ARG 34 1HB ARG 34 7.072 4.971 3.648 282 HG2 ARG 34 2HG ARG 34 9.259 6.589 2.321 283 HG3 ARG 34 1HG ARG 34 9.312 5.807 3.902 284 HD2 ARG 34 2HD ARG 34 8.830 3.609 2.537 285 HD3 ARG 34 1HD ARG 34 9.464 4.552 1.172 286 HE ARG 34 HE ARG 34 10.992 4.270 3.734 287 HH11 ARG 34 1HH1 ARG 34 11.351 2.305 1.390 288 HH12 ARG 34 2HH1 ARG 34 12.759 2.971 0.630 289 HH21 ARG 34 1HH2 ARG 34 12.542 6.008 2.291 290 HH22 ARG 34 2HH2 ARG 34 13.433 5.069 1.141 291 H VAL 35 H VAL 35 7.417 3.273 0.185 292 HA VAL 35 HA VAL 35 5.390 1.562 1.581 293 HB VAL 35 HB VAL 35 4.573 2.378 -0.617 294 HG11 VAL 35 1HG1 VAL 35 5.975 2.567 -2.367 295 HG12 VAL 35 2HG1 VAL 35 6.334 0.841 -2.303 296 HG13 VAL 35 3HG1 VAL 35 7.283 1.976 -1.342 297 HG21 VAL 35 3HG2 VAL 35 5.253 -0.440 -1.248 298 HG22 VAL 35 1HG2 VAL 35 3.675 0.340 -1.151 299 HG23 VAL 35 2HG2 VAL 35 4.496 -0.176 0.323 300 H MET 36 H MET 36 6.224 -0.450 2.149 301 HA MET 36 HA MET 36 8.762 -1.306 0.898 302 HB2 MET 36 2HB MET 36 8.559 -0.134 3.364 303 HB3 MET 36 1HB MET 36 8.459 -1.846 3.776 304 HG2 MET 36 2HG MET 36 10.505 -1.587 1.826 305 HG3 MET 36 1HG MET 36 10.776 -0.322 3.025 306 HE1 MET 36 3HE MET 36 11.012 -0.632 5.483 307 HE2 MET 36 1HE MET 36 12.551 -0.845 4.636 308 HE3 MET 36 2HE MET 36 12.132 -1.896 5.987 309 H VAL 37 H VAL 37 8.511 -3.352 0.115 310 HA VAL 37 HA VAL 37 6.474 -5.132 1.414 311 HB VAL 37 HB VAL 37 7.590 -5.050 -1.411 312 HG11 VAL 37 1HG1 VAL 37 5.167 -6.442 -1.360 313 HG12 VAL 37 2HG1 VAL 37 6.032 -7.023 0.063 314 HG13 VAL 37 3HG1 VAL 37 6.773 -7.149 -1.531 315 HG21 VAL 37 3HG2 VAL 37 4.756 -4.553 -1.155 316 HG22 VAL 37 1HG2 VAL 37 5.998 -3.522 -1.865 317 HG23 VAL 37 2HG2 VAL 37 5.653 -3.424 -0.138 318 H VAL 38 H VAL 38 7.274 -7.000 2.341 319 HA VAL 38 HA VAL 38 10.103 -7.768 1.702 320 HB VAL 38 HB VAL 38 9.950 -8.760 4.051 321 HG11 VAL 38 1HG1 VAL 38 10.657 -6.760 4.973 322 HG12 VAL 38 2HG1 VAL 38 9.354 -5.836 4.225 323 HG13 VAL 38 3HG1 VAL 38 10.743 -6.341 3.262 324 HG21 VAL 38 3HG2 VAL 38 8.066 -8.487 5.330 325 HG22 VAL 38 1HG2 VAL 38 7.278 -8.438 3.753 326 HG23 VAL 38 2HG2 VAL 38 7.666 -6.936 4.591 327 H ALA 39 H ALA 39 10.529 -9.973 1.317 328 HA ALA 39 HA ALA 39 8.242 -11.608 0.455 329 HB1 ALA 39 1HB ALA 39 11.189 -12.292 0.548 330 HB2 ALA 39 2HB ALA 39 10.470 -11.318 -0.735 331 HB3 ALA 39 3HB ALA 39 9.957 -12.990 -0.503 332 H SER 40 H SER 40 7.814 -13.744 1.292 333 HA SER 40 HA SER 40 8.077 -13.978 4.181 334 HB2 SER 40 2HB SER 40 6.853 -15.450 1.896 335 HB3 SER 40 1HB SER 40 7.145 -16.375 3.365 336 HG SER 40 HG SER 40 5.082 -15.309 3.310 337 H THR 41 H THR 41 8.666 -16.575 4.729 338 HA THR 41 HA THR 41 11.543 -16.764 3.957 339 HB THR 41 HB THR 41 11.720 -18.038 6.032 340 HG1 THR 41 1HG THR 41 8.909 -17.728 6.205 341 HG21 THR 41 3HG2 THR 41 9.941 -16.038 7.143 342 HG22 THR 41 1HG2 THR 41 10.903 -15.360 5.829 343 HG23 THR 41 2HG2 THR 41 11.702 -16.119 7.206 344 H THR 42 H THR 42 8.619 -18.138 3.044 345 HA THR 42 HA THR 42 10.039 -20.527 1.993 346 HB THR 42 HB THR 42 7.767 -20.427 3.947 347 HG1 THR 42 1HG THR 42 10.135 -21.033 4.205 348 HG21 THR 42 3HG2 THR 42 8.237 -22.706 2.005 349 HG22 THR 42 1HG2 THR 42 6.867 -21.598 1.938 350 HG23 THR 42 2HG2 THR 42 7.058 -22.681 3.318 351 HA PRO 43 HA PRO 43 6.071 -20.099 -0.576 352 HB2 PRO 43 2HB PRO 43 4.074 -18.429 0.269 353 HB3 PRO 43 1HB PRO 43 4.187 -20.130 0.766 354 HG2 PRO 43 2HG PRO 43 4.968 -17.668 2.247 355 HG3 PRO 43 1HG PRO 43 4.205 -19.152 2.841 356 HD2 PRO 43 2HD PRO 43 6.853 -18.599 3.155 357 HD3 PRO 43 1HD PRO 43 6.197 -20.246 3.062 358 H GLY 44 H GLY 44 4.724 -17.982 -1.639 359 HA2 GLY 44 2HA GLY 44 6.831 -15.958 -2.037 360 HA3 GLY 44 1HA GLY 44 5.629 -16.381 -3.249 361 H ARG 45 H ARG 45 4.983 -15.896 0.179 362 HA ARG 45 HA ARG 45 2.987 -13.817 -0.524 363 HB2 ARG 45 2HB ARG 45 3.535 -15.763 1.633 364 HB3 ARG 45 1HB ARG 45 2.858 -14.231 2.184 365 HG2 ARG 45 2HG ARG 45 0.848 -14.594 1.156 366 HG3 ARG 45 1HG ARG 45 1.586 -15.416 -0.219 367 HD2 ARG 45 2HD ARG 45 0.301 -17.055 1.059 368 HD3 ARG 45 1HD ARG 45 2.027 -17.392 1.307 369 HE ARG 45 HE ARG 45 0.399 -15.786 3.245 370 HH11 ARG 45 1HH1 ARG 45 1.892 -18.747 2.771 371 HH12 ARG 45 2HH1 ARG 45 2.806 -18.725 4.242 372 HH21 ARG 45 1HH2 ARG 45 2.006 -15.439 5.004 373 HH22 ARG 45 2HH2 ARG 45 2.872 -16.853 5.505 374 H TYR 46 H TYR 46 3.293 -11.656 -0.041 375 HA TYR 46 HA TYR 46 5.743 -10.942 1.531 376 HB2 TYR 46 2HB TYR 46 4.347 -9.540 -0.747 377 HB3 TYR 46 1HB TYR 46 5.741 -8.910 0.106 378 HD1 TYR 46 2HD TYR 46 4.653 -12.065 -1.613 379 HD2 TYR 46 1HD TYR 46 7.845 -9.326 -0.754 380 HE1 TYR 46 2HE TYR 46 6.177 -13.386 -3.056 381 HE2 TYR 46 1HE TYR 46 9.367 -10.646 -2.192 382 HH TYR 46 HH TYR 46 9.382 -13.243 -2.958 383 H GLU 47 H GLU 47 5.582 -9.098 2.849 384 HA GLU 47 HA GLU 47 2.811 -8.469 3.779 385 HB2 GLU 47 2HB GLU 47 5.529 -8.070 5.074 386 HB3 GLU 47 1HB GLU 47 3.970 -7.825 5.854 387 HG2 GLU 47 2HG GLU 47 3.652 -10.045 6.193 388 HG3 GLU 47 1HG GLU 47 4.262 -10.466 4.591 389 H VAL 48 H VAL 48 2.222 -6.743 2.393 390 HA VAL 48 HA VAL 48 4.092 -4.593 1.744 391 HB VAL 48 HB VAL 48 1.087 -4.851 1.406 392 HG11 VAL 48 1HG1 VAL 48 3.099 -3.151 -0.096 393 HG12 VAL 48 2HG1 VAL 48 2.028 -2.541 1.165 394 HG13 VAL 48 3HG1 VAL 48 1.352 -3.173 -0.337 395 HG21 VAL 48 3HG2 VAL 48 2.832 -6.594 0.392 396 HG22 VAL 48 1HG2 VAL 48 3.068 -5.308 -0.791 397 HG23 VAL 48 2HG2 VAL 48 1.468 -6.014 -0.563 398 H ASN 49 H ASN 49 4.499 -2.867 3.038 399 HA ASN 49 HA ASN 49 2.410 -1.957 4.962 400 HB2 ASN 49 2HB ASN 49 5.411 -2.229 5.381 401 HB3 ASN 49 1HB ASN 49 4.263 -1.621 6.575 402 HD21 ASN 49 1HD2 ASN 49 5.887 -4.410 5.657 403 HD22 ASN 49 2HD2 ASN 49 4.843 -5.563 6.337 404 H ILE 50 H ILE 50 1.850 -0.146 3.778 405 HA ILE 50 HA ILE 50 4.036 1.769 3.029 406 HB ILE 50 HB ILE 50 2.646 0.619 1.243 407 HG12 ILE 50 2HG1 ILE 50 3.785 2.978 1.132 408 HG13 ILE 50 1HG1 ILE 50 2.655 2.512 -0.132 409 HG21 ILE 50 1HG2 ILE 50 0.508 0.589 2.405 410 HG22 ILE 50 2HG2 ILE 50 0.345 1.530 0.924 411 HG23 ILE 50 3HG2 ILE 50 0.487 2.351 2.478 412 HD11 ILE 50 3HD1 ILE 50 2.455 4.862 1.148 413 HD12 ILE 50 1HD1 ILE 50 1.507 3.878 2.260 414 HD13 ILE 50 2HD1 ILE 50 1.035 3.991 0.572 415 H VAL 51 H VAL 51 3.879 3.859 3.793 416 HA VAL 51 HA VAL 51 1.663 4.484 5.682 417 HB VAL 51 HB VAL 51 3.944 4.761 6.480 418 HG11 VAL 51 1HG1 VAL 51 4.320 5.792 3.771 419 HG12 VAL 51 2HG1 VAL 51 5.509 5.135 4.895 420 HG13 VAL 51 3HG1 VAL 51 5.048 6.835 4.993 421 HG21 VAL 51 3HG2 VAL 51 3.903 7.472 6.485 422 HG22 VAL 51 1HG2 VAL 51 2.850 6.494 7.507 423 HG23 VAL 51 2HG2 VAL 51 2.244 7.147 5.985 424 H LEU 52 H LEU 52 0.412 6.450 5.402 425 HA LEU 52 HA LEU 52 0.492 7.482 2.581 426 HB2 LEU 52 2HB LEU 52 -1.681 7.001 4.614 427 HB3 LEU 52 1HB LEU 52 -1.949 8.051 3.224 428 HG LEU 52 HG LEU 52 -0.672 5.557 2.439 429 HD11 LEU 52 1HD1 LEU 52 -2.157 3.974 3.193 430 HD12 LEU 52 2HD1 LEU 52 -3.499 5.117 3.266 431 HD13 LEU 52 3HD1 LEU 52 -2.288 5.096 4.547 432 HD21 LEU 52 3HD2 LEU 52 -1.997 7.374 1.116 433 HD22 LEU 52 1HD2 LEU 52 -3.429 6.516 1.686 434 HD23 LEU 52 2HD2 LEU 52 -2.240 5.682 0.685 435 H ASN 53 H ASN 53 -0.536 9.753 2.450 436 HA ASN 53 HA ASN 53 1.053 11.676 3.807 437 HB2 ASN 53 2HB ASN 53 -1.686 11.891 2.503 438 HB3 ASN 53 1HB ASN 53 -0.591 13.241 2.791 439 HD21 ASN 53 1HD2 ASN 53 -1.413 10.784 0.543 440 HD22 ASN 53 2HD2 ASN 53 -0.066 10.948 -0.476 441 HA PRO 54 HA PRO 54 -0.877 12.346 7.691 442 HB2 PRO 54 2HB PRO 54 -1.264 15.069 7.782 443 HB3 PRO 54 1HB PRO 54 0.322 14.296 7.989 444 HG2 PRO 54 2HG PRO 54 -0.878 15.514 5.535 445 HG3 PRO 54 1HG PRO 54 0.760 15.696 6.193 446 HD2 PRO 54 2HD PRO 54 0.288 14.043 4.155 447 HD3 PRO 54 1HD PRO 54 1.440 13.600 5.435 448 H ASN 55 H ASN 55 -2.509 13.286 4.801 449 HA ASN 55 HA ASN 55 -5.114 13.258 6.291 450 HB2 ASN 55 2HB ASN 55 -4.226 15.466 5.305 451 HB3 ASN 55 1HB ASN 55 -4.538 14.749 3.725 452 HD21 ASN 55 1HD2 ASN 55 -6.327 16.175 3.216 453 HD22 ASN 55 2HD2 ASN 55 -7.804 16.095 4.048 454 H LEU 56 H LEU 56 -4.579 10.808 5.641 455 HA LEU 56 HA LEU 56 -5.221 10.238 2.805 456 HB2 LEU 56 2HB LEU 56 -4.884 7.828 3.717 457 HB3 LEU 56 1HB LEU 56 -3.489 8.900 3.671 458 HG LEU 56 HG LEU 56 -3.572 9.287 6.011 459 HD11 LEU 56 1HD1 LEU 56 -5.507 8.294 7.367 460 HD12 LEU 56 2HD1 LEU 56 -6.350 8.102 5.829 461 HD13 LEU 56 3HD1 LEU 56 -5.894 9.710 6.390 462 HD21 LEU 56 3HD2 LEU 56 -3.537 6.645 4.943 463 HD22 LEU 56 1HD2 LEU 56 -4.371 6.579 6.495 464 HD23 LEU 56 2HD2 LEU 56 -2.737 7.236 6.399 465 H ASP 57 H ASP 57 -6.797 8.240 2.574 466 HA ASP 57 HA ASP 57 -8.949 7.912 4.453 467 HB2 ASP 57 2HB ASP 57 -9.516 10.173 3.949 468 HB3 ASP 57 1HB ASP 57 -9.221 9.937 2.229 469 H GLN 58 H GLN 58 -10.861 6.819 3.296 470 HA GLN 58 HA GLN 58 -9.977 4.612 1.762 471 HB2 GLN 58 2HB GLN 58 -12.650 5.912 2.290 472 HB3 GLN 58 1HB GLN 58 -12.517 4.427 1.347 473 HG2 GLN 58 2HG GLN 58 -12.243 3.192 3.210 474 HG3 GLN 58 1HG GLN 58 -10.939 4.239 3.771 475 HE21 GLN 58 1HE2 GLN 58 -14.288 5.301 3.143 476 HE22 GLN 58 2HE2 GLN 58 -14.636 5.703 4.755 477 H SER 59 H SER 59 -11.265 7.756 0.794 478 HA SER 59 HA SER 59 -11.735 7.173 -1.952 479 HB2 SER 59 2HB SER 59 -11.208 9.614 -0.283 480 HB3 SER 59 1HB SER 59 -11.332 9.763 -2.035 481 HG SER 59 HG SER 59 -13.354 10.012 -0.937 482 H GLN 60 H GLN 60 -8.892 8.521 -0.259 483 HA GLN 60 HA GLN 60 -7.258 8.890 -2.584 484 HB2 GLN 60 2HB GLN 60 -6.915 8.640 0.382 485 HB3 GLN 60 1HB GLN 60 -5.471 8.584 -0.628 486 HG2 GLN 60 2HG GLN 60 -7.533 10.751 -0.991 487 HG3 GLN 60 1HG GLN 60 -6.259 10.904 0.218 488 HE21 GLN 60 1HE2 GLN 60 -5.061 12.567 -0.883 489 HE22 GLN 60 2HE2 GLN 60 -4.278 12.297 -2.365 490 H LEU 61 H LEU 61 -7.524 6.173 -0.280 491 HA LEU 61 HA LEU 61 -5.504 4.543 -1.496 492 HB2 LEU 61 2HB LEU 61 -8.002 3.761 0.037 493 HB3 LEU 61 1HB LEU 61 -6.574 2.753 -0.206 494 HG LEU 61 HG LEU 61 -6.521 5.451 1.178 495 HD11 LEU 61 1HD1 LEU 61 -6.342 2.718 2.465 496 HD12 LEU 61 2HD1 LEU 61 -7.848 3.629 2.369 497 HD13 LEU 61 3HD1 LEU 61 -6.478 4.280 3.269 498 HD21 LEU 61 3HD2 LEU 61 -4.354 3.968 2.003 499 HD22 LEU 61 1HD2 LEU 61 -4.309 5.172 0.715 500 HD23 LEU 61 2HD2 LEU 61 -4.518 3.465 0.322 501 H ALA 62 H ALA 62 -9.013 4.868 -2.084 502 HA ALA 62 HA ALA 62 -9.408 2.666 -3.774 503 HB1 ALA 62 1HB ALA 62 -11.392 3.771 -3.524 504 HB2 ALA 62 2HB ALA 62 -10.873 4.729 -4.912 505 HB3 ALA 62 3HB ALA 62 -10.583 5.319 -3.275 506 H LEU 63 H LEU 63 -7.898 5.787 -4.371 507 HA LEU 63 HA LEU 63 -7.569 5.515 -7.193 508 HB2 LEU 63 2HB LEU 63 -7.317 7.674 -6.512 509 HB3 LEU 63 1HB LEU 63 -6.858 7.210 -4.900 510 HG LEU 63 HG LEU 63 -4.585 6.814 -5.578 511 HD11 LEU 63 1HD1 LEU 63 -5.747 6.476 -8.141 512 HD12 LEU 63 2HD1 LEU 63 -4.047 6.297 -7.709 513 HD13 LEU 63 3HD1 LEU 63 -4.654 7.854 -8.273 514 HD21 LEU 63 3HD2 LEU 63 -4.159 9.022 -5.398 515 HD22 LEU 63 1HD2 LEU 63 -5.874 9.325 -5.679 516 HD23 LEU 63 2HD2 LEU 63 -4.747 9.311 -7.035 517 H GLU 64 H GLU 64 -5.380 5.111 -4.425 518 HA GLU 64 HA GLU 64 -3.180 4.054 -5.959 519 HB2 GLU 64 2HB GLU 64 -2.143 3.963 -3.885 520 HB3 GLU 64 1HB GLU 64 -3.465 5.058 -3.491 521 HG2 GLU 64 2HG GLU 64 -4.779 3.212 -2.587 522 HG3 GLU 64 1HG GLU 64 -3.550 2.053 -3.088 523 H LYS 65 H LYS 65 -5.800 2.498 -4.072 524 HA LYS 65 HA LYS 65 -4.962 -0.208 -4.445 525 HB2 LYS 65 2HB LYS 65 -7.259 1.291 -3.517 526 HB3 LYS 65 1HB LYS 65 -7.792 -0.086 -4.477 527 HG2 LYS 65 2HG LYS 65 -7.587 -0.872 -2.222 528 HG3 LYS 65 1HG LYS 65 -6.199 -1.512 -3.103 529 HD2 LYS 65 2HD LYS 65 -4.881 0.491 -2.297 530 HD3 LYS 65 1HD LYS 65 -6.248 0.884 -1.253 531 HE2 LYS 65 2HE LYS 65 -5.259 -0.490 0.274 532 HE3 LYS 65 1HE LYS 65 -5.810 -1.827 -0.756 533 HZ1 LYS 65 3HZ LYS 65 -3.439 -1.976 -0.514 534 HZ2 LYS 65 1HZ LYS 65 -3.237 -0.358 -0.978 535 HZ3 LYS 65 2HZ LYS 65 -3.788 -1.502 -2.107 536 H GLU 66 H GLU 66 -7.017 1.925 -6.456 537 HA GLU 66 HA GLU 66 -7.770 0.010 -8.403 538 HB2 GLU 66 2HB GLU 66 -7.582 2.948 -8.100 539 HB3 GLU 66 1HB GLU 66 -7.593 2.373 -9.767 540 HG2 GLU 66 2HG GLU 66 -9.559 0.867 -8.401 541 HG3 GLU 66 1HG GLU 66 -9.790 2.545 -7.906 542 H ILE 67 H ILE 67 -4.863 1.965 -8.010 543 HA ILE 67 HA ILE 67 -3.684 1.287 -10.571 544 HB ILE 67 HB ILE 67 -2.320 2.185 -8.026 545 HG12 ILE 67 2HG1 ILE 67 -4.565 3.445 -9.174 546 HG13 ILE 67 1HG1 ILE 67 -3.446 4.145 -8.013 547 HG21 ILE 67 1HG2 ILE 67 -0.806 3.308 -9.551 548 HG22 ILE 67 2HG2 ILE 67 -1.811 2.863 -10.930 549 HG23 ILE 67 3HG2 ILE 67 -0.951 1.616 -10.027 550 HD11 ILE 67 3HD1 ILE 67 -2.147 5.160 -9.729 551 HD12 ILE 67 1HD1 ILE 67 -3.826 5.462 -10.175 552 HD13 ILE 67 2HD1 ILE 67 -2.913 4.190 -10.987 553 H ILE 68 H ILE 68 -3.063 0.283 -7.189 554 HA ILE 68 HA ILE 68 -1.069 -1.654 -7.767 555 HB ILE 68 HB ILE 68 -3.169 -1.594 -5.573 556 HG12 ILE 68 2HG1 ILE 68 -0.374 -0.586 -5.226 557 HG13 ILE 68 1HG1 ILE 68 -1.515 0.438 -6.096 558 HG21 ILE 68 1HG2 ILE 68 -0.471 -2.954 -5.809 559 HG22 ILE 68 2HG2 ILE 68 -2.041 -3.727 -5.588 560 HG23 ILE 68 3HG2 ILE 68 -1.338 -2.769 -4.284 561 HD11 ILE 68 3HD1 ILE 68 -1.967 1.146 -3.948 562 HD12 ILE 68 1HD1 ILE 68 -1.527 -0.406 -3.233 563 HD13 ILE 68 2HD1 ILE 68 -3.087 -0.213 -4.034 564 H GLN 69 H GLN 69 -4.602 -2.024 -7.415 565 HA GLN 69 HA GLN 69 -4.720 -4.830 -7.902 566 HB2 GLN 69 2HB GLN 69 -6.564 -2.466 -8.172 567 HB3 GLN 69 1HB GLN 69 -7.101 -4.057 -8.714 568 HG2 GLN 69 2HG GLN 69 -6.687 -5.000 -6.505 569 HG3 GLN 69 1HG GLN 69 -6.007 -3.471 -5.947 570 HE21 GLN 69 1HE2 GLN 69 -7.464 -2.019 -5.006 571 HE22 GLN 69 2HE2 GLN 69 -9.153 -2.127 -5.136 572 H ARG 70 H ARG 70 -5.046 -2.067 -10.164 573 HA ARG 70 HA ARG 70 -5.470 -3.534 -12.531 574 HB2 ARG 70 2HB ARG 70 -4.478 -0.851 -11.725 575 HB3 ARG 70 1HB ARG 70 -4.149 -1.342 -13.387 576 HG2 ARG 70 2HG ARG 70 -6.846 -2.062 -12.771 577 HG3 ARG 70 1HG ARG 70 -6.604 -0.382 -12.293 578 HD2 ARG 70 2HD ARG 70 -5.814 0.210 -14.511 579 HD3 ARG 70 1HD ARG 70 -5.826 -1.493 -15.013 580 HE ARG 70 HE ARG 70 -8.383 -0.408 -13.996 581 HH11 ARG 70 1HH2 ARG 70 -6.791 0.250 -16.791 582 HH12 ARG 70 2HH2 ARG 70 -7.899 -0.546 -17.858 583 HH21 ARG 70 1HH1 ARG 70 -9.648 -2.109 -15.305 584 HH22 ARG 70 2HH1 ARG 70 -9.518 -1.882 -17.017 585 H ALA 71 H ALA 71 -2.365 -2.382 -11.128 586 HA ALA 71 HA ALA 71 -0.746 -3.537 -13.195 587 HB1 ALA 71 1HB ALA 71 1.016 -2.705 -11.891 588 HB2 ALA 71 2HB ALA 71 0.172 -3.042 -10.380 589 HB3 ALA 71 3HB ALA 71 -0.329 -1.682 -11.384 590 H LEU 72 H LEU 72 -1.480 -4.594 -9.863 591 HA LEU 72 HA LEU 72 -0.027 -7.036 -9.951 592 HB2 LEU 72 2HB LEU 72 -2.440 -6.084 -8.389 593 HB3 LEU 72 1HB LEU 72 -1.559 -7.562 -8.008 594 HG LEU 72 HG LEU 72 -0.450 -4.742 -8.010 595 HD11 LEU 72 1HD1 LEU 72 -0.233 -5.023 -5.648 596 HD12 LEU 72 2HD1 LEU 72 -0.585 -6.749 -5.751 597 HD13 LEU 72 3HD1 LEU 72 -1.862 -5.569 -6.047 598 HD21 LEU 72 3HD2 LEU 72 0.870 -7.449 -7.808 599 HD22 LEU 72 1HD2 LEU 72 1.597 -6.027 -7.058 600 HD23 LEU 72 2HD2 LEU 72 1.338 -6.069 -8.803 601 H GLU 73 H GLU 73 -3.317 -6.199 -10.882 602 HA GLU 73 HA GLU 73 -4.290 -8.860 -11.278 603 HB2 GLU 73 2HB GLU 73 -5.069 -6.085 -12.166 604 HB3 GLU 73 1HB GLU 73 -5.974 -7.491 -12.715 605 HG2 GLU 73 2HG GLU 73 -5.481 -7.570 -9.840 606 HG3 GLU 73 1HG GLU 73 -6.382 -6.132 -10.320 607 H ASN 74 H ASN 74 -2.962 -6.379 -13.451 608 HA ASN 74 HA ASN 74 -3.130 -7.880 -15.857 609 HB2 ASN 74 2HB ASN 74 -2.639 -5.378 -15.393 610 HB3 ASN 74 1HB ASN 74 -0.973 -5.889 -15.137 611 HD21 ASN 74 1HD2 ASN 74 -1.928 -4.184 -17.355 612 HD22 ASN 74 2HD2 ASN 74 -1.583 -5.024 -18.789 613 H TYR 75 H TYR 75 -0.671 -7.603 -13.311 614 HA TYR 75 HA TYR 75 1.258 -9.331 -14.640 615 HB2 TYR 75 2HB TYR 75 1.189 -7.485 -12.609 616 HB3 TYR 75 1HB TYR 75 1.329 -8.997 -11.723 617 HD1 TYR 75 2HD TYR 75 2.896 -6.761 -14.167 618 HD2 TYR 75 1HD TYR 75 3.319 -10.440 -11.987 619 HE1 TYR 75 2HE TYR 75 5.295 -6.859 -14.797 620 HE2 TYR 75 1HE TYR 75 5.714 -10.541 -12.622 621 HH TYR 75 HH TYR 75 7.138 -8.138 -14.818 622 H GLY 76 H GLY 76 -1.254 -9.763 -12.168 623 HA2 GLY 76 2HA GLY 76 -2.429 -11.950 -12.165 624 HA3 GLY 76 1HA GLY 76 -0.848 -12.681 -12.389 625 H ALA 77 H ALA 77 -1.016 -9.975 -10.248 626 HA ALA 77 HA ALA 77 -0.415 -11.779 -7.963 627 HB1 ALA 77 1HB ALA 77 0.296 -9.122 -8.883 628 HB2 ALA 77 2HB ALA 77 1.069 -10.104 -7.638 629 HB3 ALA 77 3HB ALA 77 -0.288 -9.058 -7.220 630 H ARG 78 H ARG 78 -2.038 -12.294 -6.560 631 HA ARG 78 HA ARG 78 -4.409 -10.459 -6.395 632 HB2 ARG 78 2HB ARG 78 -4.117 -13.209 -7.028 633 HB3 ARG 78 1HB ARG 78 -4.869 -13.143 -5.434 634 HG2 ARG 78 2HG ARG 78 -6.734 -13.004 -6.826 635 HG3 ARG 78 1HG ARG 78 -6.385 -11.300 -6.540 636 HD2 ARG 78 2HD ARG 78 -5.063 -11.246 -8.664 637 HD3 ARG 78 1HD ARG 78 -5.552 -12.925 -8.969 638 HE ARG 78 HE ARG 78 -7.708 -10.962 -8.420 639 HH11 ARG 78 1HH2 ARG 78 -5.721 -11.842 -10.980 640 HH12 ARG 78 2HH2 ARG 78 -7.005 -12.276 -12.059 641 HH21 ARG 78 1HH1 ARG 78 -9.481 -11.998 -9.643 642 HH22 ARG 78 2HH1 ARG 78 -9.136 -12.364 -11.301 643 H VAL 79 H VAL 79 -4.883 -9.656 -4.360 644 HA VAL 79 HA VAL 79 -3.106 -10.398 -2.123 645 HB VAL 79 HB VAL 79 -5.378 -8.417 -2.036 646 HG11 VAL 79 1HG1 VAL 79 -2.585 -8.045 -0.989 647 HG12 VAL 79 2HG1 VAL 79 -3.725 -9.062 -0.106 648 HG13 VAL 79 3HG1 VAL 79 -4.097 -7.362 -0.391 649 HG21 VAL 79 3HG2 VAL 79 -2.881 -8.290 -3.684 650 HG22 VAL 79 1HG2 VAL 79 -3.399 -6.818 -2.860 651 HG23 VAL 79 2HG2 VAL 79 -4.475 -7.610 -4.013 652 H GLU 80 H GLU 80 -3.738 -11.944 -0.685 653 HA GLU 80 HA GLU 80 -6.471 -13.001 -0.742 654 HB2 GLU 80 2HB GLU 80 -5.489 -14.783 0.398 655 HB3 GLU 80 1HB GLU 80 -4.069 -14.101 -0.396 656 HG2 GLU 80 2HG GLU 80 -3.460 -12.884 1.617 657 HG3 GLU 80 1HG GLU 80 -4.945 -13.394 2.420 658 H LYS 81 H LYS 81 -4.864 -10.493 0.902 659 HA LYS 81 HA LYS 81 -6.947 -10.468 3.054 660 HB2 LYS 81 2HB LYS 81 -5.176 -9.700 4.503 661 HB3 LYS 81 1HB LYS 81 -4.561 -11.100 3.625 662 HG2 LYS 81 2HG LYS 81 -2.810 -9.710 3.157 663 HG3 LYS 81 1HG LYS 81 -3.891 -9.124 1.891 664 HD2 LYS 81 2HD LYS 81 -3.054 -7.206 3.121 665 HD3 LYS 81 1HD LYS 81 -4.760 -7.414 3.515 666 HE2 LYS 81 2HE LYS 81 -3.761 -8.924 5.481 667 HE3 LYS 81 1HE LYS 81 -2.356 -7.867 5.239 668 HZ1 LYS 81 3HZ LYS 81 -4.059 -5.993 5.178 669 HZ2 LYS 81 1HZ LYS 81 -3.720 -6.675 6.694 670 HZ3 LYS 81 2HZ LYS 81 -5.144 -7.102 5.871 671 H VAL 82 H VAL 82 -7.974 -8.458 3.353 672 HA VAL 82 HA VAL 82 -6.813 -6.068 1.984 673 HB VAL 82 HB VAL 82 -9.568 -7.285 1.659 674 HG11 VAL 82 1HG1 VAL 82 -10.323 -5.137 1.686 675 HG12 VAL 82 2HG1 VAL 82 -9.576 -5.038 0.091 676 HG13 VAL 82 3HG1 VAL 82 -8.702 -4.465 1.511 677 HG21 VAL 82 3HG2 VAL 82 -7.232 -6.653 -0.138 678 HG22 VAL 82 1HG2 VAL 82 -8.858 -6.799 -0.803 679 HG23 VAL 82 2HG2 VAL 82 -8.119 -8.168 0.028 680 H GLU 83 H GLU 83 -6.448 -4.860 3.858 681 HA GLU 83 HA GLU 83 -8.833 -4.379 5.613 682 HB2 GLU 83 2HB GLU 83 -6.643 -5.830 6.304 683 HB3 GLU 83 1HB GLU 83 -6.108 -4.216 6.778 684 HG2 GLU 83 2HG GLU 83 -7.344 -4.400 8.647 685 HG3 GLU 83 1HG GLU 83 -8.793 -4.445 7.643 686 H GLU 84 H GLU 84 -9.367 -2.264 5.025 687 HA GLU 84 HA GLU 84 -7.190 -0.308 4.643 688 HB2 GLU 84 2HB GLU 84 -10.169 -0.231 4.087 689 HB3 GLU 84 1HB GLU 84 -9.032 1.047 3.655 690 HG2 GLU 84 2HG GLU 84 -7.729 -0.919 2.478 691 HG3 GLU 84 1HG GLU 84 -9.305 -1.710 2.504 692 H LEU 85 H LEU 85 -6.648 0.053 6.876 693 HA LEU 85 HA LEU 85 -8.821 1.346 8.492 694 HB2 LEU 85 2HB LEU 85 -6.265 0.170 9.580 695 HB3 LEU 85 1HB LEU 85 -7.808 0.392 10.402 696 HG LEU 85 HG LEU 85 -7.113 -1.654 8.284 697 HD11 LEU 85 1HD1 LEU 85 -8.544 -2.692 10.512 698 HD12 LEU 85 2HD1 LEU 85 -7.281 -1.639 11.151 699 HD13 LEU 85 3HD1 LEU 85 -6.858 -2.977 10.083 700 HD21 LEU 85 3HD2 LEU 85 -9.629 -0.318 8.747 701 HD22 LEU 85 1HD2 LEU 85 -9.769 -2.016 9.204 702 HD23 LEU 85 2HD2 LEU 85 -9.251 -1.581 7.575 703 H GLY 86 H GLY 86 -7.651 2.865 10.223 704 HA2 GLY 86 2HA GLY 86 -6.022 4.558 10.671 705 HA3 GLY 86 1HA GLY 86 -5.307 4.256 9.089 706 H LEU 87 H LEU 87 -6.316 6.769 10.450 707 HA LEU 87 HA LEU 87 -7.302 8.113 8.157 708 HB2 LEU 87 2HB LEU 87 -9.205 6.486 9.172 709 HB3 LEU 87 1HB LEU 87 -9.492 7.913 10.169 710 HG LEU 87 HG LEU 87 -10.874 8.033 8.155 711 HD11 LEU 87 1HD1 LEU 87 -8.505 9.927 8.046 712 HD12 LEU 87 2HD1 LEU 87 -9.945 10.136 9.043 713 HD13 LEU 87 3HD1 LEU 87 -10.072 10.206 7.286 714 HD21 LEU 87 3HD2 LEU 87 -10.059 7.724 6.001 715 HD22 LEU 87 1HD2 LEU 87 -9.007 6.625 6.896 716 HD23 LEU 87 2HD2 LEU 87 -8.426 8.225 6.438 717 H ARG 88 H ARG 88 -5.347 8.652 10.051 718 HA ARG 88 HA ARG 88 -6.361 10.515 12.047 719 HB2 ARG 88 2HB ARG 88 -4.020 8.986 11.513 720 HB3 ARG 88 1HB ARG 88 -3.535 10.678 11.648 721 HG2 ARG 88 2HG ARG 88 -4.165 10.830 13.854 722 HG3 ARG 88 1HG ARG 88 -5.477 9.666 13.668 723 HD2 ARG 88 2HD ARG 88 -3.095 8.222 13.158 724 HD3 ARG 88 1HD ARG 88 -2.791 9.191 14.613 725 HE ARG 88 HE ARG 88 -4.816 8.206 15.613 726 HH11 ARG 88 1HH1 ARG 88 -6.196 7.426 13.059 727 HH12 ARG 88 2HH1 ARG 88 -5.980 5.708 13.047 728 HH21 ARG 88 1HH2 ARG 88 -3.456 5.740 15.424 729 HH22 ARG 88 2HH2 ARG 88 -4.429 4.753 14.385 730 H ARG 89 H ARG 89 -5.307 12.752 12.150 731 HA ARG 89 HA ARG 89 -4.743 13.935 9.478 732 HB2 ARG 89 2HB ARG 89 -7.082 14.350 11.266 733 HB3 ARG 89 1HB ARG 89 -6.412 15.789 10.503 734 HG2 ARG 89 2HG ARG 89 -6.452 14.160 8.361 735 HG3 ARG 89 1HG ARG 89 -7.793 13.460 9.266 736 HD2 ARG 89 2HD ARG 89 -8.669 15.215 7.800 737 HD3 ARG 89 1HD ARG 89 -8.764 15.790 9.477 738 HE ARG 89 HE ARG 89 -6.546 16.533 7.602 739 HH11 ARG 89 1HH2 ARG 89 -9.175 17.944 8.939 740 HH12 ARG 89 2HH2 ARG 89 -8.334 19.153 9.852 741 HH21 ARG 89 1HH1 ARG 89 -5.209 17.726 9.368 742 HH22 ARG 89 2HH1 ARG 89 -6.089 19.029 10.096 743 H LEU 90 H LEU 90 -3.043 13.401 11.670 744 HA LEU 90 HA LEU 90 -2.617 15.969 13.087 745 HB2 LEU 90 2HB LEU 90 -2.022 13.138 13.422 746 HB3 LEU 90 1HB LEU 90 -0.590 14.128 13.698 747 HG LEU 90 HG LEU 90 -2.490 15.576 15.028 748 HD11 LEU 90 1HD1 LEU 90 -3.119 12.789 15.904 749 HD12 LEU 90 2HD1 LEU 90 -3.944 13.401 14.471 750 HD13 LEU 90 3HD1 LEU 90 -4.106 14.246 16.010 751 HD21 LEU 90 3HD2 LEU 90 -1.445 14.742 17.040 752 HD22 LEU 90 1HD2 LEU 90 -0.208 14.772 15.783 753 HD23 LEU 90 2HD2 LEU 90 -0.970 13.247 16.235 754 H ALA 91 H ALA 91 -1.431 17.492 11.991 755 HA ALA 91 HA ALA 91 1.167 16.715 10.819 756 HB1 ALA 91 1HB ALA 91 -1.094 17.952 9.213 757 HB2 ALA 91 2HB ALA 91 -0.478 16.309 9.030 758 HB3 ALA 91 3HB ALA 91 0.546 17.684 8.618 759 H TYR 92 H TYR 92 0.858 18.279 13.040 760 HA TYR 92 HA TYR 92 0.792 21.131 12.239 761 HB2 TYR 92 2HB TYR 92 1.028 19.602 14.843 762 HB3 TYR 92 1HB TYR 92 1.096 21.362 14.764 763 HD1 TYR 92 1HD TYR 92 -0.866 22.677 14.087 764 HD2 TYR 92 2HD TYR 92 -1.042 18.396 14.403 765 HE1 TYR 92 1HE TYR 92 -3.343 22.776 14.034 766 HE2 TYR 92 2HE TYR 92 -3.521 18.495 14.347 767 HH TYR 92 HH TYR 92 -5.228 21.353 13.503 768 HA PRO 93 HA PRO 93 5.159 21.602 12.109 769 HB2 PRO 93 2HB PRO 93 5.446 24.130 13.119 770 HB3 PRO 93 1HB PRO 93 4.789 23.805 11.503 771 HG2 PRO 93 2HG PRO 93 3.364 24.474 14.025 772 HG3 PRO 93 1HG PRO 93 3.016 24.975 12.363 773 HD2 PRO 93 2HD PRO 93 1.648 23.005 13.675 774 HD3 PRO 93 1HD PRO 93 1.816 23.087 11.907 775 H ILE 94 H ILE 94 7.087 22.026 13.572 776 HA ILE 94 HA ILE 94 6.554 20.923 16.267 777 HB ILE 94 HB ILE 94 9.105 21.581 14.757 778 HG12 ILE 94 2HG1 ILE 94 7.738 18.907 15.186 779 HG13 ILE 94 1HG1 ILE 94 7.604 19.853 13.703 780 HG21 ILE 94 1HG2 ILE 94 9.557 19.530 16.603 781 HG22 ILE 94 2HG2 ILE 94 8.570 20.699 17.481 782 HG23 ILE 94 3HG2 ILE 94 10.093 21.204 16.750 783 HD11 ILE 94 3HD1 ILE 94 9.864 19.559 13.156 784 HD12 ILE 94 1HD1 ILE 94 9.441 17.995 13.854 785 HD13 ILE 94 2HD1 ILE 94 10.316 19.185 14.818 786 H ALA 95 H ALA 95 6.554 22.198 18.083 787 HA ALA 95 HA ALA 95 7.772 24.936 17.887 788 HB1 ALA 95 1HB ALA 95 5.354 25.076 17.818 789 HB2 ALA 95 2HB ALA 95 5.868 25.581 19.429 790 HB3 ALA 95 3HB ALA 95 5.204 23.966 19.181 791 H LYS 96 H LYS 96 8.291 22.026 19.194 792 HA LYS 96 HA LYS 96 8.538 22.554 22.028 793 HB2 LYS 96 2HB LYS 96 8.368 20.334 20.773 794 HB3 LYS 96 1HB LYS 96 10.064 20.555 20.342 795 HG2 LYS 96 2HG LYS 96 10.098 19.231 22.318 796 HG3 LYS 96 1HG LYS 96 10.501 20.865 22.849 797 HD2 LYS 96 2HD LYS 96 7.948 21.138 23.238 798 HD3 LYS 96 1HD LYS 96 7.899 19.376 23.164 799 HE2 LYS 96 2HE LYS 96 8.211 19.810 25.472 800 HE3 LYS 96 1HE LYS 96 9.864 19.504 24.902 801 HZ1 LYS 96 3HZ LYS 96 9.654 21.596 26.182 802 HZ2 LYS 96 1HZ LYS 96 8.592 22.186 24.999 803 HZ3 LYS 96 2HZ LYS 96 10.206 21.839 24.593 Start of MODEL 8 1 H1 MET 1 1HT MET 1 -0.585 10.539 12.592 2 H2 MET 1 2HT MET 1 -1.043 12.004 13.319 3 H3 MET 1 3HT MET 1 0.473 11.319 13.665 4 HA MET 1 HA MET 1 -0.410 12.755 11.250 5 HB2 MET 1 2HB MET 1 0.783 14.038 12.840 6 HB3 MET 1 1HB MET 1 1.870 12.706 13.228 7 HG2 MET 1 2HG MET 1 3.290 13.245 11.553 8 HG3 MET 1 1HG MET 1 1.972 13.444 10.398 9 HE1 MET 1 2HE MET 1 4.175 15.529 13.216 10 HE2 MET 1 3HE MET 1 4.680 16.432 11.789 11 HE3 MET 1 1HE MET 1 4.716 14.663 11.780 12 H ASP 2 H ASP 2 2.505 10.916 12.201 13 HA ASP 2 HA ASP 2 3.066 10.165 9.444 14 HB2 ASP 2 2HB ASP 2 4.597 10.647 11.525 15 HB3 ASP 2 1HB ASP 2 4.331 8.938 11.876 16 HA PRO 3 HA PRO 3 1.630 5.906 10.920 17 HB2 PRO 3 2HB PRO 3 0.457 5.671 13.374 18 HB3 PRO 3 1HB PRO 3 2.216 5.634 13.151 19 HG2 PRO 3 2HG PRO 3 0.534 7.727 14.307 20 HG3 PRO 3 1HG PRO 3 2.270 7.452 14.482 21 HD2 PRO 3 2HD PRO 3 0.925 9.343 12.790 22 HD3 PRO 3 1HD PRO 3 2.675 9.098 12.998 23 H GLN 4 H GLN 4 -0.043 8.616 10.582 24 HA GLN 4 HA GLN 4 -2.740 8.128 11.261 25 HB2 GLN 4 2HB GLN 4 -3.155 9.937 9.747 26 HB3 GLN 4 1HB GLN 4 -1.562 10.228 10.432 27 HG2 GLN 4 2HG GLN 4 -2.269 9.298 7.649 28 HG3 GLN 4 1HG GLN 4 -1.240 10.630 8.140 29 HE21 GLN 4 1HE2 GLN 4 0.972 10.222 8.159 30 HE22 GLN 4 2HE2 GLN 4 1.671 8.678 8.094 31 H GLY 5 H GLY 5 -3.636 8.519 8.382 32 HA2 GLY 5 2HA GLY 5 -4.873 6.209 7.741 33 HA3 GLY 5 1HA GLY 5 -4.187 7.223 6.482 34 H TYR 6 H TYR 6 -1.356 6.602 7.475 35 HA TYR 6 HA TYR 6 -0.843 4.404 5.736 36 HB2 TYR 6 2HB TYR 6 0.958 5.844 6.246 37 HB3 TYR 6 1HB TYR 6 0.619 5.798 7.972 38 HD1 TYR 6 1HD TYR 6 0.667 2.792 5.822 39 HD2 TYR 6 2HD TYR 6 2.826 5.144 8.697 40 HE1 TYR 6 1HE TYR 6 2.299 0.947 6.108 41 HE2 TYR 6 2HE TYR 6 4.458 3.299 8.982 42 HH TYR 6 HH TYR 6 5.274 1.353 7.671 43 H PHE 7 H PHE 7 -2.131 2.590 6.250 44 HA PHE 7 HA PHE 7 -1.145 0.885 8.358 45 HB2 PHE 7 2HB PHE 7 -3.279 2.732 8.893 46 HB3 PHE 7 1HB PHE 7 -3.913 1.089 8.976 47 HD1 PHE 7 2HD PHE 7 -1.350 -0.309 9.825 48 HD2 PHE 7 1HD PHE 7 -3.247 3.282 11.226 49 HE1 PHE 7 2HE PHE 7 -0.282 -0.609 12.044 50 HE2 PHE 7 1HE PHE 7 -2.178 2.981 13.443 51 HZ PHE 7 HZ PHE 7 -0.697 1.036 13.853 52 H LEU 8 H LEU 8 -1.416 0.608 5.556 53 HA LEU 8 HA LEU 8 -3.708 -1.212 5.198 54 HB2 LEU 8 2HB LEU 8 -1.781 -0.048 3.179 55 HB3 LEU 8 1HB LEU 8 -3.323 -0.833 2.830 56 HG LEU 8 HG LEU 8 -3.210 1.579 4.631 57 HD11 LEU 8 1HD1 LEU 8 -3.781 2.911 2.548 58 HD12 LEU 8 2HD1 LEU 8 -3.263 1.515 1.603 59 HD13 LEU 8 3HD1 LEU 8 -2.109 2.356 2.638 60 HD21 LEU 8 3HD2 LEU 8 -5.301 0.345 2.812 61 HD22 LEU 8 1HD2 LEU 8 -5.531 1.837 3.723 62 HD23 LEU 8 2HD2 LEU 8 -5.293 0.310 4.575 63 H TRP 9 H TRP 9 -3.351 -3.405 5.021 64 HA TRP 9 HA TRP 9 -0.511 -4.318 4.666 65 HB2 TRP 9 2HB TRP 9 -1.485 -4.523 6.973 66 HB3 TRP 9 1HB TRP 9 -2.740 -5.566 6.307 67 HD1 TRP 9 HD TRP 9 0.047 -6.480 4.316 68 HE1 TRP 9 1HE TRP 9 1.327 -8.506 5.263 69 HE3 TRP 9 3HE TRP 9 -1.791 -6.529 9.076 70 HZ2 TRP 9 2HZ TRP 9 1.543 -9.958 7.722 71 HZ3 TRP 9 3HZ TRP 9 -1.032 -8.240 10.701 72 HH2 TRP 9 HH TRP 9 0.630 -9.953 10.030 73 H TYR 10 H TYR 10 -0.349 -5.365 2.719 74 HA TYR 10 HA TYR 10 -2.683 -7.016 1.802 75 HB2 TYR 10 2HB TYR 10 -0.750 -5.296 0.212 76 HB3 TYR 10 1HB TYR 10 -2.036 -6.280 -0.485 77 HD1 TYR 10 2HD TYR 10 -4.264 -5.891 1.364 78 HD2 TYR 10 1HD TYR 10 -1.382 -3.055 -0.087 79 HE1 TYR 10 2HE TYR 10 -5.883 -4.050 1.744 80 HE2 TYR 10 1HE TYR 10 -3.001 -1.214 0.292 81 HH TYR 10 HH TYR 10 -5.847 -1.266 0.410 82 H GLN 11 H GLN 11 -2.142 -9.112 1.247 83 HA GLN 11 HA GLN 11 0.738 -9.797 1.087 84 HB2 GLN 11 2HB GLN 11 -0.682 -10.589 3.062 85 HB3 GLN 11 1HB GLN 11 -1.542 -11.602 1.902 86 HG2 GLN 11 2HG GLN 11 0.217 -13.037 1.645 87 HG3 GLN 11 1HG GLN 11 1.418 -11.754 1.801 88 HE21 GLN 11 1HE2 GLN 11 1.341 -10.736 4.207 89 HE22 GLN 11 2HE2 GLN 11 1.316 -11.889 5.451 90 H VAL 12 H VAL 12 1.256 -11.577 -0.447 91 HA VAL 12 HA VAL 12 -0.862 -12.004 -2.523 92 HB VAL 12 HB VAL 12 0.824 -11.574 -4.241 93 HG11 VAL 12 1HG1 VAL 12 -0.452 -9.686 -3.091 94 HG12 VAL 12 2HG1 VAL 12 1.013 -9.222 -3.958 95 HG13 VAL 12 3HG1 VAL 12 1.034 -9.362 -2.198 96 HG21 VAL 12 3HG2 VAL 12 2.927 -10.424 -2.688 97 HG22 VAL 12 1HG2 VAL 12 3.012 -11.814 -3.769 98 HG23 VAL 12 2HG2 VAL 12 2.623 -12.045 -2.064 99 H GLU 13 H GLU 13 0.195 -13.698 -4.187 100 HA GLU 13 HA GLU 13 1.532 -15.865 -2.604 101 HB2 GLU 13 2HB GLU 13 -0.970 -16.095 -2.747 102 HB3 GLU 13 1HB GLU 13 -0.814 -16.181 -4.502 103 HG2 GLU 13 2HG GLU 13 -0.815 -18.444 -3.914 104 HG3 GLU 13 1HG GLU 13 0.913 -18.090 -3.979 105 H MET 14 H MET 14 3.011 -14.283 -4.283 106 HA MET 14 HA MET 14 3.473 -16.075 -6.641 107 HB2 MET 14 2HB MET 14 4.284 -13.718 -7.617 108 HB3 MET 14 1HB MET 14 2.597 -14.216 -7.705 109 HG2 MET 14 2HG MET 14 2.106 -12.964 -5.641 110 HG3 MET 14 1HG MET 14 3.799 -12.488 -5.519 111 HE1 MET 14 3HE MET 14 1.536 -11.524 -9.390 112 HE2 MET 14 1HE MET 14 1.008 -12.757 -8.237 113 HE3 MET 14 2HE MET 14 2.552 -12.927 -9.070 114 HA PRO 15 HA PRO 15 7.591 -16.298 -5.166 115 HB2 PRO 15 2HB PRO 15 8.947 -16.584 -7.522 116 HB3 PRO 15 1HB PRO 15 8.032 -17.867 -6.755 117 HG2 PRO 15 2HG PRO 15 7.289 -16.120 -9.029 118 HG3 PRO 15 1HG PRO 15 6.938 -17.837 -8.776 119 HD2 PRO 15 2HD PRO 15 5.099 -15.868 -8.381 120 HD3 PRO 15 1HD PRO 15 5.086 -17.408 -7.491 121 H GLU 16 H GLU 16 9.875 -15.604 -6.262 122 HA GLU 16 HA GLU 16 10.311 -12.884 -5.720 123 HB2 GLU 16 2HB GLU 16 11.875 -14.933 -6.139 124 HB3 GLU 16 1HB GLU 16 11.779 -14.455 -7.831 125 HG2 GLU 16 2HG GLU 16 12.772 -12.336 -7.404 126 HG3 GLU 16 1HG GLU 16 12.532 -12.488 -5.663 127 H ASP 17 H ASP 17 9.071 -14.530 -8.507 128 HA ASP 17 HA ASP 17 9.517 -12.640 -10.560 129 HB2 ASP 17 2HB ASP 17 8.514 -15.001 -10.602 130 HB3 ASP 17 1HB ASP 17 6.983 -14.241 -10.164 131 H ARG 18 H ARG 18 7.353 -12.521 -7.828 132 HA ARG 18 HA ARG 18 5.492 -10.550 -8.836 133 HB2 ARG 18 2HB ARG 18 4.855 -10.415 -6.482 134 HB3 ARG 18 1HB ARG 18 5.169 -12.102 -6.897 135 HG2 ARG 18 2HG ARG 18 6.441 -11.981 -4.982 136 HG3 ARG 18 1HG ARG 18 7.646 -11.398 -6.132 137 HD2 ARG 18 2HD ARG 18 6.459 -9.049 -5.611 138 HD3 ARG 18 1HD ARG 18 6.104 -9.872 -4.078 139 HE ARG 18 HE ARG 18 8.820 -10.399 -4.749 140 HH11 ARG 18 1HH2 ARG 18 6.936 -7.565 -4.384 141 HH12 ARG 18 2HH2 ARG 18 8.079 -6.760 -3.362 142 HH21 ARG 18 1HH1 ARG 18 10.237 -9.469 -3.188 143 HH22 ARG 18 2HH1 ARG 18 9.948 -7.837 -2.686 144 H VAL 19 H VAL 19 8.763 -10.328 -7.810 145 HA VAL 19 HA VAL 19 8.947 -7.834 -6.537 146 HB VAL 19 HB VAL 19 10.732 -9.080 -8.655 147 HG11 VAL 19 1HG1 VAL 19 11.028 -6.729 -6.833 148 HG12 VAL 19 2HG1 VAL 19 11.662 -6.975 -8.460 149 HG13 VAL 19 3HG1 VAL 19 12.439 -7.757 -7.084 150 HG21 VAL 19 3HG2 VAL 19 9.993 -10.164 -6.265 151 HG22 VAL 19 1HG2 VAL 19 11.395 -9.217 -5.767 152 HG23 VAL 19 2HG2 VAL 19 11.561 -10.448 -7.019 153 H ASN 20 H ASN 20 8.961 -8.464 -10.062 154 HA ASN 20 HA ASN 20 9.134 -5.759 -10.919 155 HB2 ASN 20 2HB ASN 20 8.953 -8.288 -12.028 156 HB3 ASN 20 1HB ASN 20 7.433 -7.542 -12.524 157 HD21 ASN 20 1HD2 ASN 20 10.722 -7.795 -13.334 158 HD22 ASN 20 2HD2 ASN 20 10.819 -6.462 -14.381 159 H ASP 21 H ASP 21 6.392 -7.680 -9.801 160 HA ASP 21 HA ASP 21 4.317 -5.937 -10.701 161 HB2 ASP 21 2HB ASP 21 4.335 -8.395 -9.833 162 HB3 ASP 21 1HB ASP 21 4.218 -7.662 -8.234 163 H LEU 22 H LEU 22 5.751 -6.372 -7.446 164 HA LEU 22 HA LEU 22 4.422 -4.123 -6.261 165 HB2 LEU 22 2HB LEU 22 6.875 -5.780 -5.705 166 HB3 LEU 22 1HB LEU 22 6.525 -4.372 -4.698 167 HG LEU 22 HG LEU 22 5.525 -6.414 -3.731 168 HD11 LEU 22 1HD1 LEU 22 3.659 -5.277 -3.079 169 HD12 LEU 22 2HD1 LEU 22 3.102 -5.056 -4.737 170 HD13 LEU 22 3HD1 LEU 22 4.324 -3.975 -4.066 171 HD21 LEU 22 3HD2 LEU 22 3.898 -6.488 -6.293 172 HD22 LEU 22 1HD2 LEU 22 3.774 -7.613 -4.940 173 HD23 LEU 22 2HD2 LEU 22 5.234 -7.581 -5.931 174 H ALA 23 H ALA 23 7.481 -4.467 -7.997 175 HA ALA 23 HA ALA 23 8.528 -1.871 -7.529 176 HB1 ALA 23 1HB ALA 23 9.455 -4.096 -8.628 177 HB2 ALA 23 2HB ALA 23 10.110 -2.529 -9.106 178 HB3 ALA 23 3HB ALA 23 8.908 -3.329 -10.119 179 H ARG 24 H ARG 24 6.653 -3.117 -10.338 180 HA ARG 24 HA ARG 24 6.372 -0.542 -11.564 181 HB2 ARG 24 2HB ARG 24 6.149 -2.348 -13.016 182 HB3 ARG 24 1HB ARG 24 5.258 -3.308 -11.835 183 HG2 ARG 24 2HG ARG 24 3.780 -2.576 -13.660 184 HG3 ARG 24 1HG ARG 24 3.296 -1.855 -12.126 185 HD2 ARG 24 2HD ARG 24 3.416 -0.279 -14.189 186 HD3 ARG 24 1HD ARG 24 4.234 0.268 -12.712 187 HE ARG 24 HE ARG 24 6.343 -0.218 -13.733 188 HH11 ARG 24 1HH1 ARG 24 5.233 0.902 -16.211 189 HH12 ARG 24 2HH1 ARG 24 5.468 -0.373 -17.361 190 HH21 ARG 24 1HH2 ARG 24 5.972 -2.815 -14.954 191 HH22 ARG 24 2HH2 ARG 24 5.886 -2.476 -16.650 192 H GLU 25 H GLU 25 4.308 -2.523 -9.462 193 HA GLU 25 HA GLU 25 1.949 -1.002 -9.470 194 HB2 GLU 25 2HB GLU 25 2.329 -3.236 -8.461 195 HB3 GLU 25 1HB GLU 25 3.304 -2.486 -7.201 196 HG2 GLU 25 2HG GLU 25 0.855 -1.054 -7.311 197 HG3 GLU 25 1HG GLU 25 0.449 -2.771 -7.309 198 H LEU 26 H LEU 26 4.746 -0.736 -7.269 199 HA LEU 26 HA LEU 26 3.730 1.510 -5.795 200 HB2 LEU 26 2HB LEU 26 5.762 1.349 -4.673 201 HB3 LEU 26 1HB LEU 26 5.657 -0.258 -5.383 202 HG LEU 26 HG LEU 26 6.946 0.787 -7.386 203 HD11 LEU 26 1HD1 LEU 26 8.275 2.611 -5.515 204 HD12 LEU 26 2HD1 LEU 26 6.615 3.086 -5.875 205 HD13 LEU 26 3HD1 LEU 26 7.779 2.884 -7.185 206 HD21 LEU 26 3HD2 LEU 26 7.815 -0.851 -5.653 207 HD22 LEU 26 1HD2 LEU 26 8.417 0.540 -4.750 208 HD23 LEU 26 2HD2 LEU 26 9.044 0.197 -6.362 209 H ARG 27 H ARG 27 5.775 1.274 -8.700 210 HA ARG 27 HA ARG 27 6.585 3.988 -8.878 211 HB2 ARG 27 2HB ARG 27 7.119 1.719 -10.155 212 HB3 ARG 27 1HB ARG 27 5.914 2.339 -11.280 213 HG2 ARG 27 2HG ARG 27 7.738 4.441 -10.508 214 HG3 ARG 27 1HG ARG 27 8.632 3.058 -11.135 215 HD2 ARG 27 2HD ARG 27 7.793 3.316 -13.260 216 HD3 ARG 27 1HD ARG 27 6.204 3.844 -12.671 217 HE ARG 27 HE ARG 27 7.105 6.073 -12.341 218 HH11 ARG 27 1HH2 ARG 27 9.609 3.846 -13.016 219 HH12 ARG 27 2HH2 ARG 27 10.609 4.995 -13.839 220 HH21 ARG 27 1HH1 ARG 27 8.264 7.547 -13.676 221 HH22 ARG 27 2HH1 ARG 27 9.847 7.093 -14.213 222 H ILE 28 H ILE 28 3.638 2.363 -10.107 223 HA ILE 28 HA ILE 28 2.605 4.518 -11.613 224 HB ILE 28 HB ILE 28 1.209 2.341 -10.035 225 HG12 ILE 28 2HG1 ILE 28 2.013 2.393 -12.959 226 HG13 ILE 28 1HG1 ILE 28 2.971 1.611 -11.702 227 HG21 ILE 28 1HG2 ILE 28 -0.407 3.990 -10.690 228 HG22 ILE 28 2HG2 ILE 28 -0.540 2.663 -11.843 229 HG23 ILE 28 3HG2 ILE 28 0.308 4.141 -12.294 230 HD11 ILE 28 3HD1 ILE 28 0.710 0.561 -13.089 231 HD12 ILE 28 1HD1 ILE 28 0.251 0.777 -11.400 232 HD13 ILE 28 2HD1 ILE 28 1.654 -0.209 -11.813 233 H ARG 29 H ARG 29 2.080 3.661 -8.176 234 HA ARG 29 HA ARG 29 0.381 6.023 -7.757 235 HB2 ARG 29 2HB ARG 29 0.344 5.111 -5.429 236 HB3 ARG 29 1HB ARG 29 -0.085 3.907 -6.643 237 HG2 ARG 29 2HG ARG 29 2.021 2.834 -6.492 238 HG3 ARG 29 1HG ARG 29 2.757 4.210 -5.667 239 HD2 ARG 29 2HD ARG 29 1.252 3.799 -3.710 240 HD3 ARG 29 1HD ARG 29 0.638 2.350 -4.528 241 HE ARG 29 HE ARG 29 3.577 2.554 -4.249 242 HH11 ARG 29 1HH2 ARG 29 0.762 1.734 -2.516 243 HH12 ARG 29 2HH2 ARG 29 1.366 0.214 -1.950 244 HH21 ARG 29 1HH1 ARG 29 4.290 0.383 -3.807 245 HH22 ARG 29 2HH1 ARG 29 3.364 -0.551 -2.680 246 H ASP 30 H ASP 30 2.374 7.387 -8.553 247 HA ASP 30 HA ASP 30 4.704 7.780 -6.996 248 HB2 ASP 30 2HB ASP 30 2.999 9.791 -8.506 249 HB3 ASP 30 1HB ASP 30 4.707 9.987 -8.104 250 H ASN 31 H ASN 31 1.385 8.790 -6.442 251 HA ASN 31 HA ASN 31 1.775 10.878 -4.555 252 HB2 ASN 31 2HB ASN 31 -0.375 10.375 -5.547 253 HB3 ASN 31 1HB ASN 31 -0.358 8.744 -4.873 254 HD21 ASN 31 1HD2 ASN 31 -2.335 9.146 -3.630 255 HD22 ASN 31 2HD2 ASN 31 -2.321 10.147 -2.260 256 H VAL 32 H VAL 32 2.509 7.527 -4.297 257 HA VAL 32 HA VAL 32 2.183 7.334 -1.396 258 HB VAL 32 HB VAL 32 2.174 5.570 -3.404 259 HG11 VAL 32 1HG1 VAL 32 5.049 5.557 -2.431 260 HG12 VAL 32 2HG1 VAL 32 4.506 5.920 -4.069 261 HG13 VAL 32 3HG1 VAL 32 4.312 4.293 -3.417 262 HG21 VAL 32 3HG2 VAL 32 3.440 4.798 -0.773 263 HG22 VAL 32 1HG2 VAL 32 2.330 3.855 -1.767 264 HG23 VAL 32 2HG2 VAL 32 1.746 5.273 -0.896 265 H ARG 33 H ARG 33 3.688 8.006 0.096 266 HA ARG 33 HA ARG 33 6.167 9.258 -0.802 267 HB2 ARG 33 2HB ARG 33 4.442 9.130 1.525 268 HB3 ARG 33 1HB ARG 33 6.138 9.000 1.997 269 HG2 ARG 33 2HG ARG 33 6.689 11.086 1.091 270 HG3 ARG 33 1HG ARG 33 5.302 11.087 0.000 271 HD2 ARG 33 2HD ARG 33 3.841 11.177 2.127 272 HD3 ARG 33 1HD ARG 33 5.335 11.618 2.978 273 HE ARG 33 HE ARG 33 5.321 13.697 1.832 274 HH11 ARG 33 1HH2 ARG 33 2.274 12.944 1.694 275 HH12 ARG 33 2HH2 ARG 33 1.938 13.417 0.061 276 HH21 ARG 33 1HH1 ARG 33 5.278 13.659 -0.835 277 HH22 ARG 33 2HH1 ARG 33 3.640 13.822 -1.370 278 H ARG 34 H ARG 34 5.429 6.330 1.191 279 HA ARG 34 HA ARG 34 8.034 5.213 0.315 280 HB2 ARG 34 2HB ARG 34 7.586 6.562 2.807 281 HB3 ARG 34 1HB ARG 34 7.914 4.860 3.134 282 HG2 ARG 34 2HG ARG 34 10.093 5.137 2.650 283 HG3 ARG 34 1HG ARG 34 9.691 5.812 1.071 284 HD2 ARG 34 2HD ARG 34 9.563 8.030 1.927 285 HD3 ARG 34 1HD ARG 34 9.516 7.458 3.607 286 HE ARG 34 HE ARG 34 11.898 6.700 2.027 287 HH11 ARG 34 1HH2 ARG 34 10.771 7.530 5.036 288 HH12 ARG 34 2HH2 ARG 34 12.084 8.579 5.452 289 HH21 ARG 34 1HH1 ARG 34 13.452 8.566 2.266 290 HH22 ARG 34 2HH1 ARG 34 13.604 9.166 3.883 291 H VAL 35 H VAL 35 7.672 3.120 -0.175 292 HA VAL 35 HA VAL 35 5.659 1.563 1.409 293 HB VAL 35 HB VAL 35 4.821 2.113 -0.821 294 HG11 VAL 35 1HG1 VAL 35 6.614 0.720 -2.521 295 HG12 VAL 35 2HG1 VAL 35 7.595 1.780 -1.507 296 HG13 VAL 35 3HG1 VAL 35 6.293 2.454 -2.487 297 HG21 VAL 35 3HG2 VAL 35 5.258 -0.524 0.140 298 HG22 VAL 35 1HG2 VAL 35 5.531 -0.565 -1.602 299 HG23 VAL 35 2HG2 VAL 35 3.995 0.021 -0.963 300 H MET 36 H MET 36 6.513 -0.373 2.229 301 HA MET 36 HA MET 36 9.094 -1.303 1.104 302 HB2 MET 36 2HB MET 36 8.211 -0.674 3.883 303 HB3 MET 36 1HB MET 36 9.360 -1.995 3.664 304 HG2 MET 36 2HG MET 36 10.442 -0.084 2.037 305 HG3 MET 36 1HG MET 36 9.747 0.912 3.315 306 HE1 MET 36 3HE MET 36 11.125 -2.891 4.111 307 HE2 MET 36 1HE MET 36 12.770 -2.466 3.622 308 HE3 MET 36 2HE MET 36 11.430 -2.252 2.498 309 H VAL 37 H VAL 37 8.712 -3.287 0.190 310 HA VAL 37 HA VAL 37 6.773 -5.121 1.562 311 HB VAL 37 HB VAL 37 7.684 -5.074 -1.330 312 HG11 VAL 37 1HG1 VAL 37 5.165 -6.197 -1.171 313 HG12 VAL 37 2HG1 VAL 37 5.940 -6.789 0.297 314 HG13 VAL 37 3HG1 VAL 37 6.673 -7.103 -1.276 315 HG21 VAL 37 3HG2 VAL 37 6.505 -2.977 -0.659 316 HG22 VAL 37 1HG2 VAL 37 5.142 -3.952 -0.108 317 HG23 VAL 37 2HG2 VAL 37 5.579 -3.934 -1.817 318 H VAL 38 H VAL 38 7.616 -7.033 2.329 319 HA VAL 38 HA VAL 38 10.367 -7.809 1.417 320 HB VAL 38 HB VAL 38 10.391 -8.851 3.791 321 HG11 VAL 38 1HG1 VAL 38 11.804 -7.025 3.589 322 HG12 VAL 38 2HG1 VAL 38 10.645 -6.389 4.757 323 HG13 VAL 38 3HG1 VAL 38 10.511 -5.952 3.053 324 HG21 VAL 38 3HG2 VAL 38 8.848 -7.874 5.392 325 HG22 VAL 38 1HG2 VAL 38 7.910 -8.596 4.084 326 HG23 VAL 38 2HG2 VAL 38 8.141 -6.849 4.141 327 H ALA 39 H ALA 39 10.741 -10.098 1.200 328 HA ALA 39 HA ALA 39 8.372 -11.633 0.387 329 HB1 ALA 39 1HB ALA 39 10.187 -13.291 -0.216 330 HB2 ALA 39 2HB ALA 39 11.358 -12.143 0.437 331 HB3 ALA 39 3HB ALA 39 10.375 -11.703 -0.960 332 H SER 40 H SER 40 7.799 -13.701 1.293 333 HA SER 40 HA SER 40 8.039 -13.873 4.188 334 HB2 SER 40 2HB SER 40 6.673 -15.893 3.830 335 HB3 SER 40 1HB SER 40 6.067 -14.565 2.844 336 HG SER 40 HG SER 40 6.231 -16.322 1.515 337 H THR 41 H THR 41 8.431 -16.548 4.710 338 HA THR 41 HA THR 41 11.323 -16.874 4.035 339 HB THR 41 HB THR 41 10.404 -16.638 6.414 340 HG1 THR 41 1HG THR 41 12.328 -17.472 6.559 341 HG21 THR 41 3HG2 THR 41 8.974 -18.179 7.273 342 HG22 THR 41 1HG2 THR 41 9.774 -19.518 6.449 343 HG23 THR 41 2HG2 THR 41 8.602 -18.524 5.583 344 H THR 42 H THR 42 8.395 -18.081 2.965 345 HA THR 42 HA THR 42 9.728 -20.527 1.964 346 HB THR 42 HB THR 42 7.423 -20.369 3.881 347 HG1 THR 42 1HG THR 42 8.961 -21.242 4.976 348 HG21 THR 42 3HG2 THR 42 6.212 -21.791 2.603 349 HG22 THR 42 1HG2 THR 42 7.440 -22.993 2.992 350 HG23 THR 42 2HG2 THR 42 7.558 -22.061 1.500 351 HA PRO 43 HA PRO 43 5.789 -19.969 -0.626 352 HB2 PRO 43 2HB PRO 43 3.881 -18.173 0.158 353 HB3 PRO 43 1HB PRO 43 3.894 -19.864 0.695 354 HG2 PRO 43 2HG PRO 43 4.816 -17.419 2.124 355 HG3 PRO 43 1HG PRO 43 3.944 -18.828 2.747 356 HD2 PRO 43 2HD PRO 43 6.613 -18.461 3.095 357 HD3 PRO 43 1HD PRO 43 5.851 -20.060 3.003 358 H GLY 44 H GLY 44 4.597 -17.817 -1.770 359 HA2 GLY 44 2HA GLY 44 6.816 -15.920 -2.161 360 HA3 GLY 44 1HA GLY 44 5.634 -16.319 -3.397 361 H ARG 45 H ARG 45 4.795 -15.701 -0.028 362 HA ARG 45 HA ARG 45 3.083 -13.467 -0.964 363 HB2 ARG 45 2HB ARG 45 2.096 -13.658 1.287 364 HB3 ARG 45 1HB ARG 45 2.121 -15.201 0.461 365 HG2 ARG 45 2HG ARG 45 4.520 -15.318 1.715 366 HG3 ARG 45 1HG ARG 45 3.628 -14.307 2.849 367 HD2 ARG 45 2HD ARG 45 2.717 -17.022 1.828 368 HD3 ARG 45 1HD ARG 45 3.343 -16.679 3.453 369 HE ARG 45 HE ARG 45 1.220 -14.849 2.843 370 HH11 ARG 45 1HH1 ARG 45 1.644 -16.555 5.364 371 HH12 ARG 45 2HH1 ARG 45 0.208 -17.524 5.340 372 HH21 ARG 45 1HH2 ARG 45 -0.556 -16.782 2.039 373 HH22 ARG 45 2HH2 ARG 45 -1.037 -17.652 3.458 374 H TYR 46 H TYR 46 3.046 -11.473 0.252 375 HA TYR 46 HA TYR 46 5.603 -10.808 1.652 376 HB2 TYR 46 2HB TYR 46 4.241 -9.333 -0.599 377 HB3 TYR 46 1HB TYR 46 5.595 -8.708 0.311 378 HD1 TYR 46 2HD TYR 46 4.576 -11.678 -1.729 379 HD2 TYR 46 1HD TYR 46 7.783 -9.181 -0.347 380 HE1 TYR 46 2HE TYR 46 6.162 -12.893 -3.201 381 HE2 TYR 46 1HE TYR 46 9.365 -10.395 -1.815 382 HH TYR 46 HH TYR 46 9.057 -13.174 -2.944 383 H GLU 47 H GLU 47 5.433 -8.983 3.018 384 HA GLU 47 HA GLU 47 2.664 -8.377 3.961 385 HB2 GLU 47 2HB GLU 47 4.015 -7.475 5.952 386 HB3 GLU 47 1HB GLU 47 4.116 -9.216 5.682 387 HG2 GLU 47 2HG GLU 47 6.288 -9.100 4.854 388 HG3 GLU 47 1HG GLU 47 6.121 -7.413 4.365 389 H VAL 48 H VAL 48 2.077 -6.729 2.469 390 HA VAL 48 HA VAL 48 3.900 -4.574 1.767 391 HB VAL 48 HB VAL 48 0.921 -5.002 1.403 392 HG11 VAL 48 1HG1 VAL 48 2.012 -2.593 1.235 393 HG12 VAL 48 2HG1 VAL 48 0.857 -3.137 0.018 394 HG13 VAL 48 3HG1 VAL 48 2.586 -3.200 -0.319 395 HG21 VAL 48 3HG2 VAL 48 1.556 -6.465 -0.191 396 HG22 VAL 48 1HG2 VAL 48 3.251 -6.172 0.197 397 HG23 VAL 48 2HG2 VAL 48 2.436 -5.174 -1.007 398 H ASN 49 H ASN 49 4.376 -2.954 3.152 399 HA ASN 49 HA ASN 49 2.197 -1.773 4.808 400 HB2 ASN 49 2HB ASN 49 5.097 -2.163 5.624 401 HB3 ASN 49 1HB ASN 49 3.771 -1.621 6.652 402 HD21 ASN 49 1HD2 ASN 49 5.455 -4.405 5.515 403 HD22 ASN 49 2HD2 ASN 49 4.400 -5.575 6.149 404 H ILE 50 H ILE 50 1.960 0.021 3.499 405 HA ILE 50 HA ILE 50 4.404 1.694 3.011 406 HB ILE 50 HB ILE 50 3.628 0.779 0.951 407 HG12 ILE 50 2HG1 ILE 50 3.933 3.363 1.143 408 HG13 ILE 50 1HG1 ILE 50 3.157 2.714 -0.299 409 HG21 ILE 50 1HG2 ILE 50 1.551 -0.129 1.125 410 HG22 ILE 50 2HG2 ILE 50 1.014 1.435 0.515 411 HG23 ILE 50 3HG2 ILE 50 0.995 1.112 2.248 412 HD11 ILE 50 3HD1 ILE 50 1.230 3.793 0.149 413 HD12 ILE 50 1HD1 ILE 50 2.096 4.655 1.418 414 HD13 ILE 50 2HD1 ILE 50 1.201 3.187 1.802 415 H VAL 51 H VAL 51 4.250 3.866 3.583 416 HA VAL 51 HA VAL 51 1.764 4.692 5.008 417 HB VAL 51 HB VAL 51 3.871 4.835 6.227 418 HG11 VAL 51 1HG1 VAL 51 5.596 6.518 5.272 419 HG12 VAL 51 2HG1 VAL 51 4.767 6.274 3.735 420 HG13 VAL 51 3HG1 VAL 51 5.528 4.910 4.553 421 HG21 VAL 51 3HG2 VAL 51 3.987 7.464 6.382 422 HG22 VAL 51 1HG2 VAL 51 2.523 6.624 6.903 423 HG23 VAL 51 2HG2 VAL 51 2.584 7.390 5.316 424 H LEU 52 H LEU 52 0.620 6.557 4.359 425 HA LEU 52 HA LEU 52 1.544 7.792 1.780 426 HB2 LEU 52 2HB LEU 52 -1.072 6.742 2.771 427 HB3 LEU 52 1HB LEU 52 -1.092 8.092 1.636 428 HG LEU 52 HG LEU 52 0.806 6.078 0.786 429 HD11 LEU 52 1HD1 LEU 52 -0.743 4.578 2.048 430 HD12 LEU 52 2HD1 LEU 52 -0.761 4.268 0.313 431 HD13 LEU 52 3HD1 LEU 52 -2.077 5.174 1.060 432 HD21 LEU 52 3HD2 LEU 52 -0.579 7.987 -0.425 433 HD22 LEU 52 1HD2 LEU 52 -1.771 6.701 -0.616 434 HD23 LEU 52 2HD2 LEU 52 -0.153 6.510 -1.291 435 H ASN 53 H ASN 53 -0.269 9.821 1.600 436 HA ASN 53 HA ASN 53 0.721 11.996 2.929 437 HB2 ASN 53 2HB ASN 53 -2.147 11.305 2.231 438 HB3 ASN 53 1HB ASN 53 -1.613 12.934 2.647 439 HD21 ASN 53 1HD2 ASN 53 -1.355 10.383 0.189 440 HD22 ASN 53 2HD2 ASN 53 -0.648 11.363 -1.002 441 HA PRO 54 HA PRO 54 -0.132 11.792 7.210 442 HB2 PRO 54 2HB PRO 54 -0.857 14.383 7.757 443 HB3 PRO 54 1HB PRO 54 0.817 13.882 7.438 444 HG2 PRO 54 2HG PRO 54 -1.172 15.116 5.582 445 HG3 PRO 54 1HG PRO 54 0.551 15.479 5.789 446 HD2 PRO 54 2HD PRO 54 -0.333 13.967 3.752 447 HD3 PRO 54 1HD PRO 54 1.226 13.645 4.547 448 H ASN 55 H ASN 55 -2.634 12.704 4.994 449 HA ASN 55 HA ASN 55 -4.671 11.929 7.044 450 HB2 ASN 55 2HB ASN 55 -4.367 14.419 6.825 451 HB3 ASN 55 1HB ASN 55 -4.857 14.277 5.136 452 HD21 ASN 55 1HD2 ASN 55 -7.053 14.637 4.816 453 HD22 ASN 55 2HD2 ASN 55 -8.267 14.352 5.968 454 H LEU 56 H LEU 56 -4.389 9.879 5.563 455 HA LEU 56 HA LEU 56 -5.295 9.945 2.835 456 HB2 LEU 56 2HB LEU 56 -4.981 7.887 5.009 457 HB3 LEU 56 1HB LEU 56 -5.746 7.443 3.487 458 HG LEU 56 HG LEU 56 -2.963 8.570 3.872 459 HD11 LEU 56 1HD1 LEU 56 -2.858 6.266 2.370 460 HD12 LEU 56 2HD1 LEU 56 -4.188 5.930 3.478 461 HD13 LEU 56 3HD1 LEU 56 -2.598 6.349 4.114 462 HD21 LEU 56 3HD2 LEU 56 -2.932 8.079 1.302 463 HD22 LEU 56 1HD2 LEU 56 -3.675 9.580 1.856 464 HD23 LEU 56 2HD2 LEU 56 -4.688 8.204 1.417 465 H ASP 57 H ASP 57 -7.294 8.072 2.677 466 HA ASP 57 HA ASP 57 -9.564 8.443 4.366 467 HB2 ASP 57 2HB ASP 57 -9.507 10.738 3.696 468 HB3 ASP 57 1HB ASP 57 -9.236 10.314 2.010 469 H GLN 58 H GLN 58 -11.631 7.769 3.101 470 HA GLN 58 HA GLN 58 -11.172 5.306 1.762 471 HB2 GLN 58 2HB GLN 58 -13.411 7.095 2.458 472 HB3 GLN 58 1HB GLN 58 -13.718 6.054 1.068 473 HG2 GLN 58 2HG GLN 58 -12.473 4.830 3.499 474 HG3 GLN 58 1HG GLN 58 -14.198 5.199 3.541 475 HE21 GLN 58 1HE2 GLN 58 -15.106 3.114 3.266 476 HE22 GLN 58 2HE2 GLN 58 -14.788 2.117 1.931 477 H SER 59 H SER 59 -11.748 8.573 0.541 478 HA SER 59 HA SER 59 -12.111 7.836 -2.205 479 HB2 SER 59 2HB SER 59 -11.313 10.393 -0.801 480 HB3 SER 59 1HB SER 59 -11.716 10.306 -2.513 481 HG SER 59 HG SER 59 -13.512 10.863 -1.166 482 H GLN 60 H GLN 60 -9.287 8.509 -0.208 483 HA GLN 60 HA GLN 60 -7.436 8.887 -2.412 484 HB2 GLN 60 2HB GLN 60 -7.265 8.325 0.549 485 HB3 GLN 60 1HB GLN 60 -5.810 8.413 -0.445 486 HG2 GLN 60 2HG GLN 60 -7.910 10.592 -0.356 487 HG3 GLN 60 1HG GLN 60 -6.455 10.599 0.639 488 HE21 GLN 60 1HE2 GLN 60 -4.356 10.805 -0.485 489 HE22 GLN 60 2HE2 GLN 60 -4.282 11.409 -2.070 490 H LEU 61 H LEU 61 -8.364 6.109 -0.374 491 HA LEU 61 HA LEU 61 -6.426 4.285 -1.452 492 HB2 LEU 61 2HB LEU 61 -9.162 3.819 -0.244 493 HB3 LEU 61 1HB LEU 61 -7.925 2.582 -0.482 494 HG LEU 61 HG LEU 61 -7.345 5.100 1.080 495 HD11 LEU 61 1HD1 LEU 61 -7.911 3.908 3.126 496 HD12 LEU 61 2HD1 LEU 61 -8.347 2.468 2.205 497 HD13 LEU 61 3HD1 LEU 61 -9.323 3.931 2.071 498 HD21 LEU 61 3HD2 LEU 61 -6.086 2.407 0.653 499 HD22 LEU 61 1HD2 LEU 61 -5.802 3.250 2.177 500 HD23 LEU 61 2HD2 LEU 61 -5.334 4.003 0.652 501 H ALA 62 H ALA 62 -9.755 5.137 -2.446 502 HA ALA 62 HA ALA 62 -10.197 3.096 -4.323 503 HB1 ALA 62 1HB ALA 62 -10.824 6.029 -4.759 504 HB2 ALA 62 2HB ALA 62 -11.686 5.058 -3.565 505 HB3 ALA 62 3HB ALA 62 -11.776 4.638 -5.275 506 H LEU 63 H LEU 63 -8.301 6.064 -4.530 507 HA LEU 63 HA LEU 63 -7.516 5.777 -7.265 508 HB2 LEU 63 2HB LEU 63 -7.261 7.919 -6.501 509 HB3 LEU 63 1HB LEU 63 -7.069 7.408 -4.846 510 HG LEU 63 HG LEU 63 -4.760 6.826 -5.227 511 HD11 LEU 63 1HD1 LEU 63 -4.745 7.971 -7.983 512 HD12 LEU 63 2HD1 LEU 63 -5.432 6.357 -7.796 513 HD13 LEU 63 3HD1 LEU 63 -3.767 6.670 -7.303 514 HD21 LEU 63 3HD2 LEU 63 -4.298 9.314 -6.461 515 HD22 LEU 63 1HD2 LEU 63 -4.403 8.998 -4.728 516 HD23 LEU 63 2HD2 LEU 63 -5.841 9.490 -5.624 517 H GLU 64 H GLU 64 -5.893 5.230 -4.159 518 HA GLU 64 HA GLU 64 -3.493 4.077 -5.194 519 HB2 GLU 64 2HB GLU 64 -5.008 3.884 -2.583 520 HB3 GLU 64 1HB GLU 64 -3.448 3.094 -2.811 521 HG2 GLU 64 2HG GLU 64 -4.013 6.058 -3.123 522 HG3 GLU 64 1HG GLU 64 -3.116 5.302 -1.804 523 H LYS 65 H LYS 65 -6.604 2.614 -4.250 524 HA LYS 65 HA LYS 65 -5.797 -0.125 -4.496 525 HB2 LYS 65 2HB LYS 65 -8.251 1.475 -4.254 526 HB3 LYS 65 1HB LYS 65 -8.482 -0.045 -5.116 527 HG2 LYS 65 2HG LYS 65 -8.448 -1.146 -3.159 528 HG3 LYS 65 1HG LYS 65 -6.794 -0.589 -2.892 529 HD2 LYS 65 2HD LYS 65 -7.631 0.538 -1.118 530 HD3 LYS 65 1HD LYS 65 -8.293 1.658 -2.310 531 HE2 LYS 65 2HE LYS 65 -10.431 0.643 -2.257 532 HE3 LYS 65 1HE LYS 65 -9.801 -0.843 -1.519 533 HZ1 LYS 65 3HZ LYS 65 -9.607 1.808 -0.207 534 HZ2 LYS 65 1HZ LYS 65 -9.334 0.284 0.485 535 HZ3 LYS 65 2HZ LYS 65 -10.910 0.752 0.059 536 H GLU 66 H GLU 66 -7.416 2.035 -6.913 537 HA GLU 66 HA GLU 66 -7.552 0.029 -8.930 538 HB2 GLU 66 2HB GLU 66 -8.157 1.836 -10.353 539 HB3 GLU 66 1HB GLU 66 -8.699 2.328 -8.751 540 HG2 GLU 66 2HG GLU 66 -6.904 3.835 -8.478 541 HG3 GLU 66 1HG GLU 66 -5.970 3.105 -9.782 542 H ILE 67 H ILE 67 -4.974 2.090 -7.817 543 HA ILE 67 HA ILE 67 -3.218 1.707 -10.110 544 HB ILE 67 HB ILE 67 -2.667 2.522 -7.243 545 HG12 ILE 67 2HG1 ILE 67 -4.513 3.733 -8.734 546 HG13 ILE 67 1HG1 ILE 67 -3.420 4.657 -7.709 547 HG21 ILE 67 1HG2 ILE 67 -0.551 2.460 -8.044 548 HG22 ILE 67 2HG2 ILE 67 -0.990 3.970 -8.839 549 HG23 ILE 67 3HG2 ILE 67 -1.082 2.447 -9.724 550 HD11 ILE 67 3HD1 ILE 67 -2.231 5.474 -9.499 551 HD12 ILE 67 1HD1 ILE 67 -3.790 5.242 -10.290 552 HD13 ILE 67 2HD1 ILE 67 -2.516 4.037 -10.481 553 H ILE 68 H ILE 68 -3.118 0.530 -6.727 554 HA ILE 68 HA ILE 68 -0.996 -1.335 -7.132 555 HB ILE 68 HB ILE 68 -3.287 -1.139 -5.156 556 HG12 ILE 68 2HG1 ILE 68 -0.452 -0.698 -4.394 557 HG13 ILE 68 1HG1 ILE 68 -1.145 0.503 -5.483 558 HG21 ILE 68 1HG2 ILE 68 -2.162 -3.480 -5.496 559 HG22 ILE 68 2HG2 ILE 68 -2.339 -2.847 -3.858 560 HG23 ILE 68 3HG2 ILE 68 -0.783 -2.741 -4.682 561 HD11 ILE 68 3HD1 ILE 68 -1.839 -0.116 -2.657 562 HD12 ILE 68 1HD1 ILE 68 -3.178 0.297 -3.729 563 HD13 ILE 68 2HD1 ILE 68 -1.846 1.430 -3.504 564 H GLN 69 H GLN 69 -4.539 -1.734 -7.277 565 HA GLN 69 HA GLN 69 -4.547 -4.558 -7.749 566 HB2 GLN 69 2HB GLN 69 -6.389 -2.235 -8.298 567 HB3 GLN 69 1HB GLN 69 -6.814 -3.853 -8.855 568 HG2 GLN 69 2HG GLN 69 -5.939 -3.456 -6.009 569 HG3 GLN 69 1HG GLN 69 -7.594 -3.061 -6.472 570 HE21 GLN 69 1HE2 GLN 69 -5.978 -5.514 -5.075 571 HE22 GLN 69 2HE2 GLN 69 -6.823 -6.848 -5.697 572 H ARG 70 H ARG 70 -4.400 -1.768 -9.980 573 HA ARG 70 HA ARG 70 -4.634 -3.151 -12.422 574 HB2 ARG 70 2HB ARG 70 -3.576 -0.590 -11.397 575 HB3 ARG 70 1HB ARG 70 -2.911 -1.091 -12.952 576 HG2 ARG 70 2HG ARG 70 -5.649 -1.625 -13.162 577 HG3 ARG 70 1HG ARG 70 -5.566 -0.071 -12.331 578 HD2 ARG 70 2HD ARG 70 -3.614 -0.082 -14.447 579 HD3 ARG 70 1HD ARG 70 -5.194 -0.548 -15.109 580 HE ARG 70 HE ARG 70 -4.665 1.964 -13.579 581 HH11 ARG 70 1HH2 ARG 70 -7.455 1.105 -13.210 582 HH12 ARG 70 2HH2 ARG 70 -8.268 1.818 -14.565 583 HH21 ARG 70 1HH1 ARG 70 -5.355 2.395 -16.350 584 HH22 ARG 70 2HH1 ARG 70 -7.080 2.547 -16.339 585 H ALA 71 H ALA 71 -1.667 -2.353 -10.567 586 HA ALA 71 HA ALA 71 0.113 -3.656 -12.396 587 HB1 ALA 71 1HB ALA 71 0.487 -3.130 -9.438 588 HB2 ALA 71 2HB ALA 71 0.598 -1.862 -10.659 589 HB3 ALA 71 3HB ALA 71 1.741 -3.205 -10.677 590 H LEU 72 H LEU 72 -1.244 -4.636 -9.247 591 HA LEU 72 HA LEU 72 -0.080 -7.225 -9.153 592 HB2 LEU 72 2HB LEU 72 -2.618 -6.048 -7.989 593 HB3 LEU 72 1HB LEU 72 -1.909 -7.576 -7.469 594 HG LEU 72 HG LEU 72 -0.551 -4.866 -7.360 595 HD11 LEU 72 1HD1 LEU 72 -1.418 -6.660 -5.080 596 HD12 LEU 72 2HD1 LEU 72 -2.405 -5.330 -5.685 597 HD13 LEU 72 3HD1 LEU 72 -0.824 -5.003 -4.978 598 HD21 LEU 72 3HD2 LEU 72 0.353 -7.680 -6.763 599 HD22 LEU 72 1HD2 LEU 72 1.074 -6.310 -5.917 600 HD23 LEU 72 2HD2 LEU 72 1.188 -6.421 -7.673 601 H GLU 73 H GLU 73 -3.085 -6.018 -10.544 602 HA GLU 73 HA GLU 73 -4.229 -8.569 -11.172 603 HB2 GLU 73 2HB GLU 73 -4.635 -5.715 -12.078 604 HB3 GLU 73 1HB GLU 73 -5.605 -7.030 -12.728 605 HG2 GLU 73 2HG GLU 73 -5.361 -6.970 -9.778 606 HG3 GLU 73 1HG GLU 73 -6.289 -5.652 -10.495 607 H ASN 74 H ASN 74 -2.417 -6.149 -13.053 608 HA ASN 74 HA ASN 74 -2.390 -7.558 -15.517 609 HB2 ASN 74 2HB ASN 74 -0.875 -5.381 -14.157 610 HB3 ASN 74 1HB ASN 74 -0.092 -6.130 -15.549 611 HD21 ASN 74 1HD2 ASN 74 -1.462 -3.386 -15.187 612 HD22 ASN 74 2HD2 ASN 74 -2.560 -3.307 -16.480 613 H TYR 75 H TYR 75 -0.295 -7.611 -12.654 614 HA TYR 75 HA TYR 75 1.625 -9.484 -13.786 615 HB2 TYR 75 2HB TYR 75 1.479 -7.702 -11.709 616 HB3 TYR 75 1HB TYR 75 1.300 -9.239 -10.871 617 HD1 TYR 75 1HD TYR 75 3.424 -7.319 -13.205 618 HD2 TYR 75 2HD TYR 75 3.163 -10.772 -10.666 619 HE1 TYR 75 1HE TYR 75 5.855 -7.724 -13.502 620 HE2 TYR 75 2HE TYR 75 5.584 -11.180 -10.964 621 HH TYR 75 HH TYR 75 7.650 -9.617 -11.554 622 H GLY 76 H GLY 76 -1.486 -9.730 -12.322 623 HA2 GLY 76 2HA GLY 76 -2.817 -11.688 -12.212 624 HA3 GLY 76 1HA GLY 76 -1.364 -12.641 -12.481 625 H ALA 77 H ALA 77 -1.142 -10.162 -10.092 626 HA ALA 77 HA ALA 77 -0.790 -12.199 -7.983 627 HB1 ALA 77 1HB ALA 77 -0.690 -9.223 -7.577 628 HB2 ALA 77 2HB ALA 77 0.560 -9.994 -8.554 629 HB3 ALA 77 3HB ALA 77 0.334 -10.475 -6.873 630 H ARG 78 H ARG 78 -2.390 -12.704 -6.527 631 HA ARG 78 HA ARG 78 -4.744 -10.849 -6.349 632 HB2 ARG 78 2HB ARG 78 -4.468 -13.613 -7.037 633 HB3 ARG 78 1HB ARG 78 -5.351 -13.517 -5.513 634 HG2 ARG 78 2HG ARG 78 -6.845 -13.403 -7.522 635 HG3 ARG 78 1HG ARG 78 -6.965 -11.980 -6.486 636 HD2 ARG 78 2HD ARG 78 -5.983 -10.596 -8.045 637 HD3 ARG 78 1HD ARG 78 -4.920 -11.880 -8.657 638 HE ARG 78 HE ARG 78 -7.735 -11.444 -9.465 639 HH11 ARG 78 1HH1 ARG 78 -4.746 -12.339 -10.547 640 HH12 ARG 78 2HH1 ARG 78 -5.264 -13.723 -11.451 641 HH21 ARG 78 1HH2 ARG 78 -8.486 -13.683 -10.173 642 HH22 ARG 78 2HH2 ARG 78 -7.381 -14.484 -11.240 643 H VAL 79 H VAL 79 -4.829 -9.872 -4.360 644 HA VAL 79 HA VAL 79 -3.280 -10.862 -2.102 645 HB VAL 79 HB VAL 79 -5.459 -8.778 -2.020 646 HG11 VAL 79 1HG1 VAL 79 -2.706 -8.795 -0.770 647 HG12 VAL 79 2HG1 VAL 79 -4.118 -9.493 0.021 648 HG13 VAL 79 3HG1 VAL 79 -4.077 -7.769 -0.348 649 HG21 VAL 79 3HG2 VAL 79 -4.423 -7.888 -3.871 650 HG22 VAL 79 1HG2 VAL 79 -2.919 -8.759 -3.574 651 HG23 VAL 79 2HG2 VAL 79 -3.290 -7.300 -2.656 652 H GLU 80 H GLU 80 -3.993 -12.470 -0.778 653 HA GLU 80 HA GLU 80 -6.805 -13.309 -0.806 654 HB2 GLU 80 2HB GLU 80 -5.520 -15.183 -0.537 655 HB3 GLU 80 1HB GLU 80 -4.146 -14.252 0.055 656 HG2 GLU 80 2HG GLU 80 -5.071 -14.177 2.282 657 HG3 GLU 80 1HG GLU 80 -6.589 -14.889 1.734 658 H LYS 81 H LYS 81 -4.971 -10.989 0.846 659 HA LYS 81 HA LYS 81 -6.952 -10.882 3.080 660 HB2 LYS 81 2HB LYS 81 -5.077 -10.377 4.508 661 HB3 LYS 81 1HB LYS 81 -4.636 -11.785 3.545 662 HG2 LYS 81 2HG LYS 81 -2.769 -10.607 3.038 663 HG3 LYS 81 1HG LYS 81 -3.817 -9.735 1.919 664 HD2 LYS 81 2HD LYS 81 -2.624 -8.127 3.317 665 HD3 LYS 81 1HD LYS 81 -4.335 -8.106 3.747 666 HE2 LYS 81 2HE LYS 81 -3.263 -10.101 5.387 667 HE3 LYS 81 1HE LYS 81 -2.043 -8.813 5.408 668 HZ1 LYS 81 3HZ LYS 81 -4.034 -7.255 5.638 669 HZ2 LYS 81 1HZ LYS 81 -3.585 -8.147 7.009 670 HZ3 LYS 81 2HZ LYS 81 -4.919 -8.635 6.078 671 H VAL 82 H VAL 82 -7.889 -8.840 3.317 672 HA VAL 82 HA VAL 82 -6.475 -6.495 2.117 673 HB VAL 82 HB VAL 82 -8.059 -7.435 0.470 674 HG11 VAL 82 1HG1 VAL 82 -10.090 -8.220 1.067 675 HG12 VAL 82 2HG1 VAL 82 -10.494 -6.717 1.899 676 HG13 VAL 82 3HG1 VAL 82 -9.599 -7.981 2.743 677 HG21 VAL 82 3HG2 VAL 82 -8.634 -4.790 1.783 678 HG22 VAL 82 1HG2 VAL 82 -9.642 -5.334 0.442 679 HG23 VAL 82 2HG2 VAL 82 -7.908 -5.114 0.208 680 H GLU 83 H GLU 83 -6.181 -5.286 3.987 681 HA GLU 83 HA GLU 83 -8.633 -4.747 5.635 682 HB2 GLU 83 2HB GLU 83 -6.610 -6.257 6.485 683 HB3 GLU 83 1HB GLU 83 -5.872 -4.686 6.802 684 HG2 GLU 83 2HG GLU 83 -7.044 -5.352 8.803 685 HG3 GLU 83 1HG GLU 83 -7.967 -4.047 8.057 686 H GLU 84 H GLU 84 -9.126 -2.657 4.988 687 HA GLU 84 HA GLU 84 -6.953 -0.696 4.639 688 HB2 GLU 84 2HB GLU 84 -9.904 -0.728 3.966 689 HB3 GLU 84 1HB GLU 84 -8.836 0.634 3.625 690 HG2 GLU 84 2HG GLU 84 -8.053 -0.372 1.771 691 HG3 GLU 84 1HG GLU 84 -7.637 -1.821 2.686 692 H LEU 85 H LEU 85 -6.431 0.302 6.583 693 HA LEU 85 HA LEU 85 -8.358 0.618 8.741 694 HB2 LEU 85 2HB LEU 85 -5.530 1.416 8.113 695 HB3 LEU 85 1HB LEU 85 -6.329 2.102 9.528 696 HG LEU 85 HG LEU 85 -5.015 -0.046 9.937 697 HD11 LEU 85 1HD1 LEU 85 -7.984 0.046 10.545 698 HD12 LEU 85 2HD1 LEU 85 -6.690 0.729 11.528 699 HD13 LEU 85 3HD1 LEU 85 -6.834 -1.020 11.353 700 HD21 LEU 85 3HD2 LEU 85 -5.955 -2.128 9.201 701 HD22 LEU 85 1HD2 LEU 85 -5.860 -1.097 7.772 702 HD23 LEU 85 2HD2 LEU 85 -7.404 -1.329 8.591 703 H GLY 86 H GLY 86 -7.555 2.422 5.919 704 HA2 GLY 86 2HA GLY 86 -8.327 4.481 5.114 705 HA3 GLY 86 1HA GLY 86 -9.618 4.344 6.307 706 H LEU 87 H LEU 87 -9.114 6.788 6.235 707 HA LEU 87 HA LEU 87 -6.802 7.977 7.281 708 HB2 LEU 87 2HB LEU 87 -8.643 9.170 6.223 709 HB3 LEU 87 1HB LEU 87 -9.735 8.699 7.525 710 HG LEU 87 HG LEU 87 -8.511 10.026 9.127 711 HD11 LEU 87 1HD1 LEU 87 -6.551 11.436 8.186 712 HD12 LEU 87 2HD1 LEU 87 -6.516 10.256 6.874 713 HD13 LEU 87 3HD1 LEU 87 -6.243 9.736 8.537 714 HD21 LEU 87 3HD2 LEU 87 -8.409 12.261 7.552 715 HD22 LEU 87 1HD2 LEU 87 -9.895 11.605 8.233 716 HD23 LEU 87 2HD2 LEU 87 -9.433 11.209 6.578 717 H ARG 88 H ARG 88 -6.207 6.352 9.019 718 HA ARG 88 HA ARG 88 -7.827 6.225 11.419 719 HB2 ARG 88 2HB ARG 88 -6.411 4.375 10.559 720 HB3 ARG 88 1HB ARG 88 -4.979 5.368 10.829 721 HG2 ARG 88 2HG ARG 88 -5.071 4.055 12.776 722 HG3 ARG 88 1HG ARG 88 -5.859 5.551 13.279 723 HD2 ARG 88 2HD ARG 88 -8.044 4.586 13.064 724 HD3 ARG 88 1HD ARG 88 -7.405 3.173 12.200 725 HE ARG 88 HE ARG 88 -5.989 3.073 14.529 726 HH11 ARG 88 1HH1 ARG 88 -9.314 3.165 13.656 727 HH12 ARG 88 2HH1 ARG 88 -9.874 2.594 15.193 728 HH21 ARG 88 1HH2 ARG 88 -6.709 2.488 16.605 729 HH22 ARG 88 2HH2 ARG 88 -8.399 2.210 16.863 730 H ARG 89 H ARG 89 -7.076 7.068 13.524 731 HA ARG 89 HA ARG 89 -5.190 9.380 13.285 732 HB2 ARG 89 2HB ARG 89 -6.733 10.651 14.623 733 HB3 ARG 89 1HB ARG 89 -7.686 9.868 13.364 734 HG2 ARG 89 2HG ARG 89 -7.788 7.944 15.255 735 HG3 ARG 89 1HG ARG 89 -7.651 9.366 16.289 736 HD2 ARG 89 2HD ARG 89 -9.619 9.383 14.009 737 HD3 ARG 89 1HD ARG 89 -10.043 8.588 15.539 738 HE ARG 89 HE ARG 89 -9.392 10.795 16.649 739 HH11 ARG 89 1HH1 ARG 89 -11.467 10.473 14.067 740 HH12 ARG 89 2HH1 ARG 89 -11.513 12.153 13.650 741 HH21 ARG 89 1HH2 ARG 89 -8.946 13.032 15.806 742 HH22 ARG 89 2HH2 ARG 89 -10.087 13.601 14.634 743 H LEU 90 H LEU 90 -3.434 8.896 14.527 744 HA LEU 90 HA LEU 90 -3.463 6.897 16.620 745 HB2 LEU 90 2HB LEU 90 -1.421 7.135 15.537 746 HB3 LEU 90 1HB LEU 90 -1.581 8.884 15.411 747 HG LEU 90 HG LEU 90 -1.091 9.146 17.784 748 HD11 LEU 90 1HD1 LEU 90 -1.876 6.387 17.851 749 HD12 LEU 90 2HD1 LEU 90 -1.569 7.472 19.207 750 HD13 LEU 90 3HD1 LEU 90 -0.248 6.528 18.516 751 HD21 LEU 90 3HD2 LEU 90 0.887 9.086 16.434 752 HD22 LEU 90 1HD2 LEU 90 0.804 7.331 16.272 753 HD23 LEU 90 2HD2 LEU 90 1.220 8.055 17.825 754 H ALA 91 H ALA 91 -4.736 7.398 18.401 755 HA ALA 91 HA ALA 91 -3.842 9.503 20.204 756 HB1 ALA 91 1HB ALA 91 -5.088 10.824 18.564 757 HB2 ALA 91 2HB ALA 91 -6.002 10.768 20.073 758 HB3 ALA 91 3HB ALA 91 -6.476 9.747 18.715 759 H TYR 92 H TYR 92 -6.472 7.275 19.298 760 HA TYR 92 HA TYR 92 -7.013 6.780 22.198 761 HB2 TYR 92 2HB TYR 92 -8.553 6.194 19.648 762 HB3 TYR 92 1HB TYR 92 -9.114 5.772 21.266 763 HD1 TYR 92 2HD TYR 92 -8.413 8.537 18.930 764 HD2 TYR 92 1HD TYR 92 -9.825 7.484 22.848 765 HE1 TYR 92 2HE TYR 92 -9.304 10.833 19.226 766 HE2 TYR 92 1HE TYR 92 -10.716 9.779 23.143 767 HH TYR 92 HH TYR 92 -11.521 11.688 21.319 768 HA PRO 93 HA PRO 93 -5.282 2.759 21.939 769 HB2 PRO 93 2HB PRO 93 -6.982 1.307 23.518 770 HB3 PRO 93 1HB PRO 93 -5.822 2.481 24.169 771 HG2 PRO 93 2HG PRO 93 -8.746 2.766 23.707 772 HG3 PRO 93 1HG PRO 93 -7.746 3.387 25.029 773 HD2 PRO 93 2HD PRO 93 -8.613 4.914 22.934 774 HD3 PRO 93 1HD PRO 93 -7.137 5.255 23.863 775 H ILE 94 H ILE 94 -5.999 0.352 21.485 776 HA ILE 94 HA ILE 94 -7.799 0.423 19.123 777 HB ILE 94 HB ILE 94 -5.432 -0.522 19.181 778 HG12 ILE 94 2HG1 ILE 94 -7.142 -1.114 17.447 779 HG13 ILE 94 1HG1 ILE 94 -5.996 -2.417 17.758 780 HG21 ILE 94 1HG2 ILE 94 -6.645 -2.949 20.468 781 HG22 ILE 94 2HG2 ILE 94 -6.027 -1.647 21.483 782 HG23 ILE 94 3HG2 ILE 94 -4.949 -2.475 20.359 783 HD11 ILE 94 3HD1 ILE 94 -7.892 -3.035 19.588 784 HD12 ILE 94 1HD1 ILE 94 -7.909 -3.663 17.941 785 HD13 ILE 94 2HD1 ILE 94 -8.899 -2.266 18.362 786 H ALA 95 H ALA 95 -9.910 -0.155 19.437 787 HA ALA 95 HA ALA 95 -10.580 -2.526 21.051 788 HB1 ALA 95 1HB ALA 95 -11.019 0.311 21.893 789 HB2 ALA 95 2HB ALA 95 -10.640 -1.101 22.881 790 HB3 ALA 95 3HB ALA 95 -12.279 -0.861 22.277 791 H LYS 96 H LYS 96 -11.005 -2.405 18.392 792 HA LYS 96 HA LYS 96 -13.894 -1.643 18.086 793 HB2 LYS 96 2HB LYS 96 -11.851 -0.546 16.780 794 HB3 LYS 96 1HB LYS 96 -12.017 -1.987 15.775 795 HG2 LYS 96 2HG LYS 96 -13.469 -0.503 14.708 796 HG3 LYS 96 1HG LYS 96 -14.569 -1.363 15.785 797 HD2 LYS 96 2HD LYS 96 -14.616 0.424 17.347 798 HD3 LYS 96 1HD LYS 96 -13.196 1.191 16.633 799 HE2 LYS 96 2HE LYS 96 -14.403 1.991 14.775 800 HE3 LYS 96 1HE LYS 96 -15.703 0.804 14.993 801 HZ1 LYS 96 3HZ LYS 96 -16.717 2.103 16.476 802 HZ2 LYS 96 1HZ LYS 96 -15.682 3.354 15.986 803 HZ3 LYS 96 2HZ LYS 96 -15.281 2.399 17.332 Start of MODEL 9 1 H1 MET 1 1HT MET 1 3.158 8.947 14.615 2 H2 MET 1 2HT MET 1 3.956 9.431 13.194 3 H3 MET 1 3HT MET 1 2.353 8.872 13.123 4 HA MET 1 HA MET 1 1.707 10.812 14.562 5 HB2 MET 1 2HB MET 1 4.638 11.011 14.320 6 HB3 MET 1 1HB MET 1 3.796 12.538 14.057 7 HG2 MET 1 2HG MET 1 4.036 12.572 16.369 8 HG3 MET 1 1HG MET 1 2.453 11.810 16.215 9 HE1 MET 1 2HE MET 1 2.077 10.841 17.915 10 HE2 MET 1 3HE MET 1 3.087 9.864 18.977 11 HE3 MET 1 1HE MET 1 2.182 9.101 17.663 12 H ASP 2 H ASP 2 4.043 11.451 11.920 13 HA ASP 2 HA ASP 2 2.370 13.242 10.486 14 HB2 ASP 2 2HB ASP 2 4.726 13.163 10.080 15 HB3 ASP 2 1HB ASP 2 4.674 11.438 9.719 16 HA PRO 3 HA PRO 3 1.012 9.555 7.778 17 HB2 PRO 3 2HB PRO 3 1.343 7.039 8.808 18 HB3 PRO 3 1HB PRO 3 2.555 7.824 7.778 19 HG2 PRO 3 2HG PRO 3 2.482 7.561 10.741 20 HG3 PRO 3 1HG PRO 3 3.851 7.399 9.630 21 HD2 PRO 3 2HD PRO 3 3.417 9.628 11.094 22 HD3 PRO 3 1HD PRO 3 4.179 9.671 9.490 23 H GLN 4 H GLN 4 -0.438 10.965 9.453 24 HA GLN 4 HA GLN 4 -1.871 10.533 11.547 25 HB2 GLN 4 2HB GLN 4 -3.924 11.098 10.391 26 HB3 GLN 4 1HB GLN 4 -2.578 11.917 9.612 27 HG2 GLN 4 2HG GLN 4 -3.909 9.369 8.647 28 HG3 GLN 4 1HG GLN 4 -4.091 10.966 7.937 29 HE21 GLN 4 1HE2 GLN 4 -2.747 8.299 6.945 30 HE22 GLN 4 2HE2 GLN 4 -1.249 8.831 6.356 31 H GLY 5 H GLY 5 -2.572 8.189 8.852 32 HA2 GLY 5 2HA GLY 5 -2.669 6.023 10.735 33 HA3 GLY 5 1HA GLY 5 -4.299 6.570 10.380 34 H TYR 6 H TYR 6 -1.673 6.546 7.934 35 HA TYR 6 HA TYR 6 -3.399 4.774 6.313 36 HB2 TYR 6 2HB TYR 6 -1.871 6.876 5.678 37 HB3 TYR 6 1HB TYR 6 -0.655 5.609 5.480 38 HD1 TYR 6 1HD TYR 6 -4.285 6.158 4.703 39 HD2 TYR 6 2HD TYR 6 -0.502 4.619 3.377 40 HE1 TYR 6 1HE TYR 6 -5.313 5.492 2.551 41 HE2 TYR 6 2HE TYR 6 -1.530 3.953 1.221 42 HH TYR 6 HH TYR 6 -3.751 3.423 0.334 43 H PHE 7 H PHE 7 -3.206 2.578 6.568 44 HA PHE 7 HA PHE 7 -0.579 1.334 6.615 45 HB2 PHE 7 2HB PHE 7 -2.322 1.650 9.034 46 HB3 PHE 7 1HB PHE 7 -1.325 0.203 8.884 47 HD1 PHE 7 2HD PHE 7 1.163 0.890 7.841 48 HD2 PHE 7 1HD PHE 7 -1.361 3.312 10.335 49 HE1 PHE 7 2HE PHE 7 3.142 2.179 8.594 50 HE2 PHE 7 1HE PHE 7 0.619 4.601 11.087 51 HZ PHE 7 HZ PHE 7 2.873 4.035 10.218 52 H LEU 8 H LEU 8 -2.170 0.736 4.655 53 HA LEU 8 HA LEU 8 -4.133 -1.312 5.309 54 HB2 LEU 8 2HB LEU 8 -3.017 -0.249 2.701 55 HB3 LEU 8 1HB LEU 8 -4.410 -1.320 2.834 56 HG LEU 8 HG LEU 8 -5.421 0.794 2.705 57 HD11 LEU 8 1HD1 LEU 8 -5.057 0.820 5.680 58 HD12 LEU 8 2HD1 LEU 8 -5.836 -0.574 4.933 59 HD13 LEU 8 3HD1 LEU 8 -6.528 1.034 4.731 60 HD21 LEU 8 3HD2 LEU 8 -2.961 1.797 3.233 61 HD22 LEU 8 1HD2 LEU 8 -3.757 2.134 4.770 62 HD23 LEU 8 2HD2 LEU 8 -4.426 2.779 3.271 63 H TRP 9 H TRP 9 -3.792 -3.544 5.099 64 HA TRP 9 HA TRP 9 -0.994 -4.386 4.443 65 HB2 TRP 9 2HB TRP 9 -2.501 -4.776 6.674 66 HB3 TRP 9 1HB TRP 9 -2.917 -6.226 5.759 67 HD1 TRP 9 HD TRP 9 -0.417 -7.208 4.485 68 HE1 TRP 9 1HE TRP 9 1.698 -7.855 5.810 69 HE3 TRP 9 3HE TRP 9 -1.245 -4.602 8.799 70 HZ2 TRP 9 2HZ TRP 9 2.883 -7.335 8.363 71 HZ3 TRP 9 3HZ TRP 9 0.390 -4.696 10.658 72 HH2 TRP 9 HH TRP 9 2.451 -6.058 10.447 73 H TYR 10 H TYR 10 -0.793 -5.295 2.439 74 HA TYR 10 HA TYR 10 -3.075 -6.941 1.397 75 HB2 TYR 10 2HB TYR 10 -1.227 -4.983 -0.002 76 HB3 TYR 10 1HB TYR 10 -2.348 -6.050 -0.852 77 HD1 TYR 10 1HD TYR 10 -4.747 -6.061 0.720 78 HD2 TYR 10 2HD TYR 10 -2.062 -2.797 -0.046 79 HE1 TYR 10 1HE TYR 10 -6.589 -4.451 1.127 80 HE2 TYR 10 2HE TYR 10 -3.904 -1.186 0.361 81 HH TYR 10 HH TYR 10 -6.766 -2.012 1.860 82 H GLN 11 H GLN 11 -2.352 -9.053 1.366 83 HA GLN 11 HA GLN 11 0.512 -9.606 1.020 84 HB2 GLN 11 2HB GLN 11 -0.986 -10.599 2.827 85 HB3 GLN 11 1HB GLN 11 -1.750 -11.537 1.543 86 HG2 GLN 11 2HG GLN 11 0.029 -12.938 1.339 87 HG3 GLN 11 1HG GLN 11 1.197 -11.629 1.513 88 HE21 GLN 11 1HE2 GLN 11 2.380 -11.730 3.422 89 HE22 GLN 11 2HE2 GLN 11 1.851 -12.453 4.863 90 H VAL 12 H VAL 12 1.172 -11.306 -0.554 91 HA VAL 12 HA VAL 12 -0.704 -11.534 -2.878 92 HB VAL 12 HB VAL 12 1.273 -11.163 -4.317 93 HG11 VAL 12 1HG1 VAL 12 0.265 -9.124 -4.026 94 HG12 VAL 12 2HG1 VAL 12 1.801 -8.769 -3.232 95 HG13 VAL 12 3HG1 VAL 12 0.387 -9.198 -2.269 96 HG21 VAL 12 3HG2 VAL 12 2.844 -10.366 -1.881 97 HG22 VAL 12 1HG2 VAL 12 3.431 -10.827 -3.479 98 HG23 VAL 12 2HG2 VAL 12 2.816 -12.059 -2.376 99 H GLU 13 H GLU 13 0.368 -13.249 -4.474 100 HA GLU 13 HA GLU 13 1.473 -15.522 -2.873 101 HB2 GLU 13 2HB GLU 13 -0.149 -16.908 -4.329 102 HB3 GLU 13 1HB GLU 13 -0.854 -15.969 -3.017 103 HG2 GLU 13 2HG GLU 13 -1.362 -14.146 -4.621 104 HG3 GLU 13 1HG GLU 13 -0.702 -15.129 -5.927 105 H MET 14 H MET 14 3.183 -14.029 -4.396 106 HA MET 14 HA MET 14 3.658 -15.796 -6.763 107 HB2 MET 14 2HB MET 14 4.612 -13.511 -7.711 108 HB3 MET 14 1HB MET 14 2.892 -13.870 -7.819 109 HG2 MET 14 2HG MET 14 2.455 -12.557 -5.807 110 HG3 MET 14 1HG MET 14 4.181 -12.272 -5.585 111 HE1 MET 14 3HE MET 14 1.703 -10.027 -5.911 112 HE2 MET 14 1HE MET 14 2.773 -8.801 -6.604 113 HE3 MET 14 2HE MET 14 3.348 -9.847 -5.308 114 HA PRO 15 HA PRO 15 7.719 -16.173 -5.141 115 HB2 PRO 15 2HB PRO 15 9.102 -16.601 -7.461 116 HB3 PRO 15 1HB PRO 15 8.104 -17.816 -6.691 117 HG2 PRO 15 2HG PRO 15 7.528 -16.101 -9.030 118 HG3 PRO 15 1HG PRO 15 7.046 -17.776 -8.725 119 HD2 PRO 15 2HD PRO 15 5.366 -15.635 -8.446 120 HD3 PRO 15 1HD PRO 15 5.178 -17.163 -7.558 121 H GLU 16 H GLU 16 10.060 -15.613 -6.281 122 HA GLU 16 HA GLU 16 10.605 -12.899 -5.835 123 HB2 GLU 16 2HB GLU 16 12.100 -14.998 -6.242 124 HB3 GLU 16 1HB GLU 16 11.956 -14.579 -7.946 125 HG2 GLU 16 2HG GLU 16 12.727 -12.421 -6.019 126 HG3 GLU 16 1HG GLU 16 13.949 -13.610 -6.476 127 H ASP 17 H ASP 17 9.264 -14.607 -8.546 128 HA ASP 17 HA ASP 17 9.616 -12.739 -10.646 129 HB2 ASP 17 2HB ASP 17 8.667 -15.134 -10.605 130 HB3 ASP 17 1HB ASP 17 7.132 -14.390 -10.159 131 H ARG 18 H ARG 18 7.716 -12.534 -7.781 132 HA ARG 18 HA ARG 18 5.590 -10.810 -8.625 133 HB2 ARG 18 2HB ARG 18 5.413 -10.382 -6.219 134 HB3 ARG 18 1HB ARG 18 5.804 -12.083 -6.474 135 HG2 ARG 18 2HG ARG 18 7.489 -11.707 -4.999 136 HG3 ARG 18 1HG ARG 18 8.300 -10.945 -6.367 137 HD2 ARG 18 2HD ARG 18 6.675 -8.904 -5.472 138 HD3 ARG 18 1HD ARG 18 7.154 -9.700 -3.959 139 HE ARG 18 HE ARG 18 9.162 -8.886 -6.029 140 HH11 ARG 18 1HH2 ARG 18 8.107 -7.383 -3.402 141 HH12 ARG 18 2HH2 ARG 18 9.519 -7.576 -2.417 142 HH21 ARG 18 1HH1 ARG 18 10.969 -9.940 -4.499 143 HH22 ARG 18 2HH1 ARG 18 11.139 -9.025 -3.039 144 H VAL 19 H VAL 19 8.956 -10.272 -8.341 145 HA VAL 19 HA VAL 19 9.201 -7.604 -7.499 146 HB VAL 19 HB VAL 19 10.640 -9.125 -9.698 147 HG11 VAL 19 1HG1 VAL 19 12.354 -7.326 -8.332 148 HG12 VAL 19 2HG1 VAL 19 10.908 -6.411 -8.761 149 HG13 VAL 19 3HG1 VAL 19 11.832 -7.241 -10.014 150 HG21 VAL 19 3HG2 VAL 19 11.765 -8.735 -6.965 151 HG22 VAL 19 1HG2 VAL 19 11.900 -10.120 -8.049 152 HG23 VAL 19 2HG2 VAL 19 10.424 -9.872 -7.115 153 H ASN 20 H ASN 20 8.422 -8.842 -10.759 154 HA ASN 20 HA ASN 20 8.353 -6.320 -12.094 155 HB2 ASN 20 2HB ASN 20 7.376 -9.096 -12.477 156 HB3 ASN 20 1HB ASN 20 6.522 -7.864 -13.405 157 HD21 ASN 20 1HD2 ASN 20 9.648 -9.462 -12.971 158 HD22 ASN 20 2HD2 ASN 20 10.379 -8.801 -14.353 159 H ASP 21 H ASP 21 5.916 -8.049 -10.176 160 HA ASP 21 HA ASP 21 3.725 -6.320 -10.823 161 HB2 ASP 21 2HB ASP 21 4.002 -8.729 -9.684 162 HB3 ASP 21 1HB ASP 21 3.958 -7.761 -8.219 163 H LEU 22 H LEU 22 5.762 -6.596 -7.905 164 HA LEU 22 HA LEU 22 4.758 -4.229 -6.635 165 HB2 LEU 22 2HB LEU 22 7.239 -5.943 -6.440 166 HB3 LEU 22 1HB LEU 22 7.044 -4.517 -5.419 167 HG LEU 22 HG LEU 22 6.217 -6.554 -4.277 168 HD11 LEU 22 1HD1 LEU 22 3.614 -5.411 -4.636 169 HD12 LEU 22 2HD1 LEU 22 4.808 -4.113 -4.698 170 HD13 LEU 22 3HD1 LEU 22 4.733 -5.179 -3.293 171 HD21 LEU 22 3HD2 LEU 22 4.319 -7.785 -5.141 172 HD22 LEU 22 1HD2 LEU 22 5.534 -7.718 -6.416 173 HD23 LEU 22 2HD2 LEU 22 4.130 -6.652 -6.479 174 H ALA 23 H ALA 23 7.418 -4.837 -8.904 175 HA ALA 23 HA ALA 23 8.667 -2.294 -8.798 176 HB1 ALA 23 1HB ALA 23 8.333 -4.436 -10.903 177 HB2 ALA 23 2HB ALA 23 9.753 -4.098 -9.911 178 HB3 ALA 23 3HB ALA 23 9.297 -2.990 -11.207 179 H ARG 24 H ARG 24 6.160 -3.518 -11.062 180 HA ARG 24 HA ARG 24 5.710 -0.963 -12.292 181 HB2 ARG 24 2HB ARG 24 4.493 -3.682 -12.242 182 HB3 ARG 24 1HB ARG 24 3.492 -2.366 -12.857 183 HG2 ARG 24 2HG ARG 24 5.921 -1.883 -14.076 184 HG3 ARG 24 1HG ARG 24 5.842 -3.645 -14.069 185 HD2 ARG 24 2HD ARG 24 3.558 -3.515 -15.085 186 HD3 ARG 24 1HD ARG 24 3.744 -1.753 -15.191 187 HE ARG 24 HE ARG 24 6.006 -3.207 -16.329 188 HH11 ARG 24 1HH2 ARG 24 2.805 -3.316 -17.213 189 HH12 ARG 24 2HH2 ARG 24 3.007 -2.566 -18.762 190 HH21 ARG 24 1HH1 ARG 24 6.298 -1.639 -18.180 191 HH22 ARG 24 2HH1 ARG 24 4.986 -1.617 -19.310 192 H GLU 25 H GLU 25 3.934 -2.828 -9.823 193 HA GLU 25 HA GLU 25 1.785 -1.071 -9.378 194 HB2 GLU 25 2HB GLU 25 2.307 -3.437 -8.499 195 HB3 GLU 25 1HB GLU 25 3.244 -2.632 -7.240 196 HG2 GLU 25 2HG GLU 25 0.586 -1.454 -7.603 197 HG3 GLU 25 1HG GLU 25 0.525 -3.153 -7.131 198 H LEU 26 H LEU 26 4.993 -1.143 -7.808 199 HA LEU 26 HA LEU 26 4.572 1.052 -6.025 200 HB2 LEU 26 2HB LEU 26 7.004 -0.173 -7.356 201 HB3 LEU 26 1HB LEU 26 7.125 1.072 -6.111 202 HG LEU 26 HG LEU 26 5.565 -1.486 -5.701 203 HD11 LEU 26 1HD1 LEU 26 8.485 -0.941 -5.533 204 HD12 LEU 26 2HD1 LEU 26 7.639 -2.457 -5.837 205 HD13 LEU 26 3HD1 LEU 26 7.775 -1.839 -4.191 206 HD21 LEU 26 3HD2 LEU 26 6.864 0.164 -3.562 207 HD22 LEU 26 1HD2 LEU 26 5.396 -0.811 -3.483 208 HD23 LEU 26 2HD2 LEU 26 5.373 0.757 -4.293 209 H ARG 27 H ARG 27 5.762 0.921 -9.383 210 HA ARG 27 HA ARG 27 6.584 3.637 -9.620 211 HB2 ARG 27 2HB ARG 27 7.290 2.370 -11.393 212 HB3 ARG 27 1HB ARG 27 5.873 1.326 -11.335 213 HG2 ARG 27 2HG ARG 27 5.947 2.677 -13.417 214 HG3 ARG 27 1HG ARG 27 4.529 3.051 -12.438 215 HD2 ARG 27 2HD ARG 27 6.144 4.895 -11.397 216 HD3 ARG 27 1HD ARG 27 6.950 4.732 -12.971 217 HE ARG 27 HE ARG 27 4.514 4.985 -13.903 218 HH11 ARG 27 1HH2 ARG 27 6.250 6.903 -11.711 219 HH12 ARG 27 2HH2 ARG 27 4.976 8.048 -11.455 220 HH21 ARG 27 1HH1 ARG 27 2.643 6.260 -13.295 221 HH22 ARG 27 2HH1 ARG 27 2.933 7.683 -12.352 222 H ILE 28 H ILE 28 3.402 2.123 -10.330 223 HA ILE 28 HA ILE 28 2.124 4.506 -11.214 224 HB ILE 28 HB ILE 28 0.937 2.089 -9.824 225 HG12 ILE 28 2HG1 ILE 28 1.766 2.526 -12.708 226 HG13 ILE 28 1HG1 ILE 28 2.354 1.278 -11.607 227 HG21 ILE 28 1HG2 ILE 28 -1.026 2.615 -11.207 228 HG22 ILE 28 2HG2 ILE 28 -0.175 3.992 -11.903 229 HG23 ILE 28 3HG2 ILE 28 -0.597 3.992 -10.193 230 HD11 ILE 28 3HD1 ILE 28 -0.441 1.012 -11.577 231 HD12 ILE 28 1HD1 ILE 28 0.712 -0.059 -12.376 232 HD13 ILE 28 2HD1 ILE 28 -0.024 1.270 -13.272 233 H ARG 29 H ARG 29 2.321 2.935 -8.029 234 HA ARG 29 HA ARG 29 0.642 4.836 -6.654 235 HB2 ARG 29 2HB ARG 29 2.617 2.677 -5.972 236 HB3 ARG 29 1HB ARG 29 1.985 3.706 -4.688 237 HG2 ARG 29 2HG ARG 29 -0.241 2.987 -6.270 238 HG3 ARG 29 1HG ARG 29 0.694 1.508 -6.057 239 HD2 ARG 29 2HD ARG 29 -1.060 2.048 -4.233 240 HD3 ARG 29 1HD ARG 29 0.577 1.665 -3.667 241 HE ARG 29 HE ARG 29 0.831 3.926 -3.015 242 HH11 ARG 29 1HH2 ARG 29 -1.717 3.554 -5.314 243 HH12 ARG 29 2HH2 ARG 29 -2.333 5.155 -5.083 244 HH21 ARG 29 1HH1 ARG 29 -0.010 5.988 -2.649 245 HH22 ARG 29 2HH1 ARG 29 -1.366 6.533 -3.578 246 H ASP 30 H ASP 30 2.241 6.535 -8.047 247 HA ASP 30 HA ASP 30 4.686 7.297 -6.680 248 HB2 ASP 30 2HB ASP 30 4.430 9.302 -8.162 249 HB3 ASP 30 1HB ASP 30 4.229 7.785 -9.042 250 H ASN 31 H ASN 31 1.286 8.134 -6.397 251 HA ASN 31 HA ASN 31 1.482 10.526 -4.857 252 HB2 ASN 31 2HB ASN 31 -0.585 9.819 -5.871 253 HB3 ASN 31 1HB ASN 31 -0.539 8.273 -5.024 254 HD21 ASN 31 1HD2 ASN 31 -1.111 8.250 -2.740 255 HD22 ASN 31 2HD2 ASN 31 -1.861 9.580 -1.999 256 H VAL 32 H VAL 32 2.336 7.306 -4.078 257 HA VAL 32 HA VAL 32 1.802 7.424 -1.217 258 HB VAL 32 HB VAL 32 1.970 5.418 -2.846 259 HG11 VAL 32 1HG1 VAL 32 4.318 6.315 -3.586 260 HG12 VAL 32 2HG1 VAL 32 4.084 4.576 -3.407 261 HG13 VAL 32 3HG1 VAL 32 4.892 5.494 -2.135 262 HG21 VAL 32 3HG2 VAL 32 1.796 5.247 -0.371 263 HG22 VAL 32 1HG2 VAL 32 3.554 5.331 -0.264 264 HG23 VAL 32 2HG2 VAL 32 2.783 3.961 -1.064 265 H ARG 33 H ARG 33 3.209 8.083 0.376 266 HA ARG 33 HA ARG 33 5.572 9.624 -0.375 267 HB2 ARG 33 2HB ARG 33 3.705 9.488 1.713 268 HB3 ARG 33 1HB ARG 33 5.240 9.030 2.452 269 HG2 ARG 33 2HG ARG 33 5.220 11.378 0.601 270 HG3 ARG 33 1HG ARG 33 4.543 11.589 2.216 271 HD2 ARG 33 2HD ARG 33 6.597 11.105 3.276 272 HD3 ARG 33 1HD ARG 33 7.253 10.307 1.832 273 HE ARG 33 HE ARG 33 7.425 12.512 0.761 274 HH11 ARG 33 1HH2 ARG 33 8.238 12.417 3.920 275 HH12 ARG 33 2HH2 ARG 33 7.919 14.081 4.281 276 HH21 ARG 33 1HH1 ARG 33 6.273 14.690 1.291 277 HH22 ARG 33 2HH1 ARG 33 6.805 15.368 2.792 278 H ARG 34 H ARG 34 4.991 6.550 1.386 279 HA ARG 34 HA ARG 34 7.791 5.753 0.744 280 HB2 ARG 34 2HB ARG 34 6.573 6.298 3.425 281 HB3 ARG 34 1HB ARG 34 7.756 4.997 3.294 282 HG2 ARG 34 2HG ARG 34 9.261 6.685 2.095 283 HG3 ARG 34 1HG ARG 34 8.139 7.924 2.656 284 HD2 ARG 34 2HD ARG 34 9.038 7.880 4.736 285 HD3 ARG 34 1HD ARG 34 8.862 6.115 4.823 286 HE ARG 34 HE ARG 34 10.971 6.627 3.019 287 HH11 ARG 34 1HH2 ARG 34 10.168 6.546 6.347 288 HH12 ARG 34 2HH2 ARG 34 11.803 6.721 6.893 289 HH21 ARG 34 1HH1 ARG 34 13.104 7.108 3.699 290 HH22 ARG 34 2HH1 ARG 34 13.468 7.041 5.391 291 H VAL 35 H VAL 35 7.650 3.704 -0.071 292 HA VAL 35 HA VAL 35 5.507 1.918 0.934 293 HB VAL 35 HB VAL 35 5.580 0.947 -1.334 294 HG11 VAL 35 1HG1 VAL 35 4.828 3.643 -0.688 295 HG12 VAL 35 2HG1 VAL 35 4.087 2.548 -1.855 296 HG13 VAL 35 3HG1 VAL 35 5.416 3.596 -2.349 297 HG21 VAL 35 3HG2 VAL 35 7.998 1.317 -1.720 298 HG22 VAL 35 1HG2 VAL 35 7.706 3.052 -1.832 299 HG23 VAL 35 2HG2 VAL 35 7.032 1.965 -3.045 300 H MET 36 H MET 36 6.157 -0.035 1.773 301 HA MET 36 HA MET 36 8.902 -0.976 1.250 302 HB2 MET 36 2HB MET 36 7.859 0.223 3.651 303 HB3 MET 36 1HB MET 36 8.313 -1.450 3.980 304 HG2 MET 36 2HG MET 36 10.403 -0.509 2.405 305 HG3 MET 36 1HG MET 36 10.020 0.863 3.445 306 HE1 MET 36 3HE MET 36 9.096 0.353 5.732 307 HE2 MET 36 1HE MET 36 10.723 0.816 6.252 308 HE3 MET 36 2HE MET 36 9.949 -0.615 6.930 309 H VAL 37 H VAL 37 8.615 -3.024 0.447 310 HA VAL 37 HA VAL 37 6.346 -4.663 1.520 311 HB VAL 37 HB VAL 37 7.892 -4.637 -1.087 312 HG11 VAL 37 1HG1 VAL 37 6.388 -6.783 0.198 313 HG12 VAL 37 2HG1 VAL 37 7.395 -6.833 -1.249 314 HG13 VAL 37 3HG1 VAL 37 5.705 -6.343 -1.367 315 HG21 VAL 37 3HG2 VAL 37 5.009 -4.524 -1.257 316 HG22 VAL 37 1HG2 VAL 37 6.195 -3.348 -1.822 317 HG23 VAL 37 2HG2 VAL 37 5.595 -3.269 -0.166 318 H VAL 38 H VAL 38 6.882 -6.518 2.652 319 HA VAL 38 HA VAL 38 9.771 -7.290 2.735 320 HB VAL 38 HB VAL 38 7.595 -8.219 4.602 321 HG11 VAL 38 1HG1 VAL 38 10.126 -7.507 5.785 322 HG12 VAL 38 2HG1 VAL 38 10.394 -8.574 4.407 323 HG13 VAL 38 3HG1 VAL 38 9.340 -9.085 5.724 324 HG21 VAL 38 3HG2 VAL 38 8.886 -5.510 4.415 325 HG22 VAL 38 1HG2 VAL 38 8.482 -6.167 6.001 326 HG23 VAL 38 2HG2 VAL 38 7.215 -5.920 4.801 327 H ALA 39 H ALA 39 10.333 -9.520 2.569 328 HA ALA 39 HA ALA 39 8.593 -11.104 0.797 329 HB1 ALA 39 1HB ALA 39 11.336 -11.569 2.012 330 HB2 ALA 39 2HB ALA 39 11.010 -10.898 0.414 331 HB3 ALA 39 3HB ALA 39 10.600 -12.578 0.767 332 H SER 40 H SER 40 7.899 -13.287 1.340 333 HA SER 40 HA SER 40 7.010 -13.592 4.090 334 HB2 SER 40 2HB SER 40 6.674 -16.020 2.806 335 HB3 SER 40 1HB SER 40 5.530 -14.683 2.752 336 HG SER 40 HG SER 40 7.541 -15.403 0.903 337 H THR 41 H THR 41 7.490 -15.801 5.216 338 HA THR 41 HA THR 41 10.426 -16.057 5.421 339 HB THR 41 HB THR 41 9.037 -15.820 7.415 340 HG1 THR 41 1HG THR 41 10.413 -17.126 8.271 341 HG21 THR 41 3HG2 THR 41 6.997 -16.752 7.500 342 HG22 THR 41 1HG2 THR 41 7.721 -18.359 7.469 343 HG23 THR 41 2HG2 THR 41 7.304 -17.551 5.958 344 H THR 42 H THR 42 8.143 -17.501 3.472 345 HA THR 42 HA THR 42 9.897 -19.797 2.957 346 HB THR 42 HB THR 42 7.306 -19.917 4.443 347 HG1 THR 42 1HG THR 42 9.268 -20.285 5.485 348 HG21 THR 42 3HG2 THR 42 6.837 -21.170 2.361 349 HG22 THR 42 1HG2 THR 42 6.944 -22.249 3.752 350 HG23 THR 42 2HG2 THR 42 8.292 -22.130 2.621 351 HA PRO 43 HA PRO 43 6.432 -19.859 -0.308 352 HB2 PRO 43 2HB PRO 43 4.224 -18.283 0.063 353 HB3 PRO 43 1HB PRO 43 4.342 -19.943 0.681 354 HG2 PRO 43 2HG PRO 43 4.737 -17.359 2.111 355 HG3 PRO 43 1HG PRO 43 3.925 -18.836 2.655 356 HD2 PRO 43 2HD PRO 43 6.436 -18.169 3.428 357 HD3 PRO 43 1HD PRO 43 5.889 -19.852 3.265 358 H GLY 44 H GLY 44 5.020 -17.739 -1.529 359 HA2 GLY 44 2HA GLY 44 7.143 -15.715 -1.836 360 HA3 GLY 44 1HA GLY 44 6.067 -16.203 -3.138 361 H ARG 45 H ARG 45 5.130 -15.591 0.204 362 HA ARG 45 HA ARG 45 3.133 -13.617 -0.744 363 HB2 ARG 45 2HB ARG 45 3.628 -15.383 1.593 364 HB3 ARG 45 1HB ARG 45 2.773 -13.878 1.933 365 HG2 ARG 45 2HG ARG 45 0.971 -14.432 0.562 366 HG3 ARG 45 1HG ARG 45 1.925 -15.563 -0.401 367 HD2 ARG 45 2HD ARG 45 2.108 -16.698 2.094 368 HD3 ARG 45 1HD ARG 45 0.461 -16.035 2.118 369 HE ARG 45 HE ARG 45 0.692 -17.205 -0.394 370 HH11 ARG 45 1HH2 ARG 45 -0.115 -18.029 2.753 371 HH12 ARG 45 2HH2 ARG 45 -0.031 -19.742 2.517 372 HH21 ARG 45 1HH1 ARG 45 1.337 -19.504 -0.660 373 HH22 ARG 45 2HH1 ARG 45 0.790 -20.577 0.584 374 H TYR 46 H TYR 46 3.324 -11.436 -0.355 375 HA TYR 46 HA TYR 46 5.609 -10.530 1.357 376 HB2 TYR 46 2HB TYR 46 4.371 -9.321 -1.115 377 HB3 TYR 46 1HB TYR 46 5.671 -8.596 -0.191 378 HD1 TYR 46 1HD TYR 46 4.781 -11.792 -1.934 379 HD2 TYR 46 2HD TYR 46 7.889 -9.101 -0.693 380 HE1 TYR 46 1HE TYR 46 6.455 -13.163 -3.147 381 HE2 TYR 46 2HE TYR 46 9.559 -10.468 -1.904 382 HH TYR 46 HH TYR 46 8.971 -13.571 -2.974 383 H GLU 47 H GLU 47 5.253 -8.604 2.535 384 HA GLU 47 HA GLU 47 2.388 -8.127 3.239 385 HB2 GLU 47 2HB GLU 47 5.029 -7.589 4.633 386 HB3 GLU 47 1HB GLU 47 3.460 -7.132 5.297 387 HG2 GLU 47 2HG GLU 47 2.768 -9.559 5.062 388 HG3 GLU 47 1HG GLU 47 4.453 -9.926 4.689 389 H VAL 48 H VAL 48 1.522 -6.345 2.241 390 HA VAL 48 HA VAL 48 3.316 -4.155 1.346 391 HB VAL 48 HB VAL 48 0.383 -4.813 0.934 392 HG11 VAL 48 1HG1 VAL 48 0.958 -2.337 0.873 393 HG12 VAL 48 2HG1 VAL 48 0.294 -2.984 -0.628 394 HG13 VAL 48 3HG1 VAL 48 2.027 -2.697 -0.481 395 HG21 VAL 48 3HG2 VAL 48 1.019 -5.664 -1.154 396 HG22 VAL 48 1HG2 VAL 48 2.358 -6.178 -0.128 397 HG23 VAL 48 2HG2 VAL 48 2.537 -4.764 -1.167 398 H ASN 49 H ASN 49 3.701 -2.609 2.890 399 HA ASN 49 HA ASN 49 1.376 -1.573 4.448 400 HB2 ASN 49 2HB ASN 49 4.192 -2.293 5.315 401 HB3 ASN 49 1HB ASN 49 3.156 -1.239 6.279 402 HD21 ASN 49 1HD2 ASN 49 4.007 -4.475 5.830 403 HD22 ASN 49 2HD2 ASN 49 2.649 -5.198 6.548 404 H ILE 50 H ILE 50 1.150 0.272 3.217 405 HA ILE 50 HA ILE 50 3.568 1.995 2.846 406 HB ILE 50 HB ILE 50 1.256 1.193 1.194 407 HG12 ILE 50 2HG1 ILE 50 2.873 1.397 -0.568 408 HG13 ILE 50 1HG1 ILE 50 3.922 2.417 0.424 409 HG21 ILE 50 1HG2 ILE 50 0.580 3.506 1.498 410 HG22 ILE 50 2HG2 ILE 50 1.292 3.341 -0.107 411 HG23 ILE 50 3HG2 ILE 50 2.225 4.067 1.202 412 HD11 ILE 50 3HD1 ILE 50 4.655 -0.004 0.276 413 HD12 ILE 50 1HD1 ILE 50 3.185 -0.433 1.155 414 HD13 ILE 50 2HD1 ILE 50 4.402 0.592 1.920 415 H VAL 51 H VAL 51 3.521 4.068 3.579 416 HA VAL 51 HA VAL 51 1.141 4.925 5.178 417 HB VAL 51 HB VAL 51 4.078 5.163 5.327 418 HG11 VAL 51 1HG1 VAL 51 2.345 7.588 5.888 419 HG12 VAL 51 2HG1 VAL 51 3.695 7.490 4.757 420 HG13 VAL 51 3HG1 VAL 51 3.991 7.392 6.494 421 HG21 VAL 51 3HG2 VAL 51 3.148 5.770 7.782 422 HG22 VAL 51 1HG2 VAL 51 3.221 4.114 7.182 423 HG23 VAL 51 2HG2 VAL 51 1.702 5.009 7.116 424 H LEU 52 H LEU 52 0.214 7.062 4.721 425 HA LEU 52 HA LEU 52 1.081 8.120 2.044 426 HB2 LEU 52 2HB LEU 52 -1.500 7.396 3.248 427 HB3 LEU 52 1HB LEU 52 -1.512 8.950 2.415 428 HG LEU 52 HG LEU 52 -0.572 6.314 1.247 429 HD11 LEU 52 1HD1 LEU 52 -2.801 7.926 0.093 430 HD12 LEU 52 2HD1 LEU 52 -3.138 7.046 1.584 431 HD13 LEU 52 3HD1 LEU 52 -2.593 6.176 0.150 432 HD21 LEU 52 3HD2 LEU 52 -0.598 7.792 -0.884 433 HD22 LEU 52 1HD2 LEU 52 0.756 7.990 0.227 434 HD23 LEU 52 2HD2 LEU 52 -0.565 9.159 0.230 435 H ASN 53 H ASN 53 -0.221 10.424 1.898 436 HA ASN 53 HA ASN 53 1.279 12.413 3.057 437 HB2 ASN 53 2HB ASN 53 -1.720 12.413 2.573 438 HB3 ASN 53 1HB ASN 53 -0.676 13.828 2.544 439 HD21 ASN 53 1HD2 ASN 53 1.452 11.906 1.222 440 HD22 ASN 53 2HD2 ASN 53 0.979 11.896 -0.408 441 HA PRO 54 HA PRO 54 0.419 12.886 7.329 442 HB2 PRO 54 2HB PRO 54 -0.417 15.501 7.588 443 HB3 PRO 54 1HB PRO 54 1.277 15.021 7.349 444 HG2 PRO 54 2HG PRO 54 -0.730 15.924 5.319 445 HG3 PRO 54 1HG PRO 54 0.957 16.429 5.529 446 HD2 PRO 54 2HD PRO 54 0.330 14.661 3.661 447 HD3 PRO 54 1HD PRO 54 1.800 14.442 4.631 448 H ASN 55 H ASN 55 -2.103 13.314 5.045 449 HA ASN 55 HA ASN 55 -4.099 12.659 7.167 450 HB2 ASN 55 2HB ASN 55 -4.198 15.059 6.858 451 HB3 ASN 55 1HB ASN 55 -4.225 14.877 5.103 452 HD21 ASN 55 1HD2 ASN 55 -6.074 12.892 7.438 453 HD22 ASN 55 2HD2 ASN 55 -7.602 13.392 6.895 454 H LEU 56 H LEU 56 -4.046 10.457 6.173 455 HA LEU 56 HA LEU 56 -4.472 9.983 3.384 456 HB2 LEU 56 2HB LEU 56 -5.360 7.744 4.292 457 HB3 LEU 56 1HB LEU 56 -3.731 8.197 4.780 458 HG LEU 56 HG LEU 56 -4.499 8.899 6.956 459 HD11 LEU 56 1HD1 LEU 56 -6.561 9.992 6.557 460 HD12 LEU 56 2HD1 LEU 56 -6.998 8.563 7.493 461 HD13 LEU 56 3HD1 LEU 56 -7.244 8.582 5.747 462 HD21 LEU 56 3HD2 LEU 56 -5.834 6.315 6.117 463 HD22 LEU 56 1HD2 LEU 56 -5.531 6.795 7.787 464 HD23 LEU 56 2HD2 LEU 56 -4.179 6.494 6.696 465 H ASP 57 H ASP 57 -6.692 8.668 2.794 466 HA ASP 57 HA ASP 57 -9.135 9.642 3.988 467 HB2 ASP 57 2HB ASP 57 -8.452 11.764 3.119 468 HB3 ASP 57 1HB ASP 57 -7.991 11.058 1.573 469 H GLN 58 H GLN 58 -11.030 9.220 2.459 470 HA GLN 58 HA GLN 58 -10.958 6.568 1.470 471 HB2 GLN 58 2HB GLN 58 -12.797 8.937 1.222 472 HB3 GLN 58 1HB GLN 58 -13.166 7.436 0.371 473 HG2 GLN 58 2HG GLN 58 -12.919 6.226 2.573 474 HG3 GLN 58 1HG GLN 58 -12.806 7.804 3.355 475 HE21 GLN 58 1HE2 GLN 58 -15.007 5.511 3.115 476 HE22 GLN 58 2HE2 GLN 58 -16.424 6.410 2.858 477 H SER 59 H SER 59 -10.724 9.692 -0.225 478 HA SER 59 HA SER 59 -10.737 8.617 -2.870 479 HB2 SER 59 2HB SER 59 -10.766 11.097 -1.617 480 HB3 SER 59 1HB SER 59 -9.219 11.086 -2.459 481 HG SER 59 HG SER 59 -11.247 11.776 -3.626 482 H GLN 60 H GLN 60 -8.230 9.103 -0.459 483 HA GLN 60 HA GLN 60 -5.960 8.809 -2.219 484 HB2 GLN 60 2HB GLN 60 -6.296 8.227 0.744 485 HB3 GLN 60 1HB GLN 60 -4.774 8.548 -0.082 486 HG2 GLN 60 2HG GLN 60 -6.965 10.562 -0.347 487 HG3 GLN 60 1HG GLN 60 -6.079 10.493 1.176 488 HE21 GLN 60 1HE2 GLN 60 -4.031 11.484 1.221 489 HE22 GLN 60 2HE2 GLN 60 -3.219 12.063 -0.152 490 H LEU 61 H LEU 61 -7.730 6.498 -0.126 491 HA LEU 61 HA LEU 61 -6.101 4.221 -0.799 492 HB2 LEU 61 2HB LEU 61 -8.894 4.630 0.269 493 HB3 LEU 61 1HB LEU 61 -8.255 3.013 -0.053 494 HG LEU 61 HG LEU 61 -6.225 4.385 1.354 495 HD11 LEU 61 1HD1 LEU 61 -7.247 5.824 2.750 496 HD12 LEU 61 2HD1 LEU 61 -8.225 4.499 3.380 497 HD13 LEU 61 3HD1 LEU 61 -8.804 5.449 2.012 498 HD21 LEU 61 3HD2 LEU 61 -6.738 2.683 3.091 499 HD22 LEU 61 1HD2 LEU 61 -6.713 1.981 1.473 500 HD23 LEU 61 2HD2 LEU 61 -8.253 2.318 2.265 501 H ALA 62 H ALA 62 -8.974 5.683 -2.273 502 HA ALA 62 HA ALA 62 -9.756 3.630 -4.009 503 HB1 ALA 62 1HB ALA 62 -9.752 6.630 -4.036 504 HB2 ALA 62 2HB ALA 62 -11.125 5.523 -4.028 505 HB3 ALA 62 3HB ALA 62 -10.215 5.789 -5.515 506 H LEU 63 H LEU 63 -7.151 6.005 -4.263 507 HA LEU 63 HA LEU 63 -6.257 5.186 -6.871 508 HB2 LEU 63 2HB LEU 63 -5.146 6.735 -4.528 509 HB3 LEU 63 1HB LEU 63 -4.182 6.453 -5.971 510 HG LEU 63 HG LEU 63 -6.908 7.774 -5.935 511 HD11 LEU 63 1HD1 LEU 63 -5.069 9.611 -6.859 512 HD12 LEU 63 2HD1 LEU 63 -4.169 8.787 -5.585 513 HD13 LEU 63 3HD1 LEU 63 -5.710 9.561 -5.216 514 HD21 LEU 63 3HD2 LEU 63 -6.187 8.385 -8.302 515 HD22 LEU 63 1HD2 LEU 63 -6.562 6.681 -8.046 516 HD23 LEU 63 2HD2 LEU 63 -4.882 7.213 -8.117 517 H GLU 64 H GLU 64 -5.074 4.607 -3.545 518 HA GLU 64 HA GLU 64 -3.003 2.785 -4.235 519 HB2 GLU 64 2HB GLU 64 -4.747 2.961 -1.754 520 HB3 GLU 64 1HB GLU 64 -3.168 2.179 -1.839 521 HG2 GLU 64 2HG GLU 64 -2.869 4.793 -2.925 522 HG3 GLU 64 1HG GLU 64 -3.759 4.958 -1.412 523 H LYS 65 H LYS 65 -6.451 2.221 -3.488 524 HA LYS 65 HA LYS 65 -6.225 -0.672 -3.686 525 HB2 LYS 65 2HB LYS 65 -8.238 1.405 -3.229 526 HB3 LYS 65 1HB LYS 65 -8.866 0.075 -4.204 527 HG2 LYS 65 2HG LYS 65 -9.226 -0.888 -2.163 528 HG3 LYS 65 1HG LYS 65 -7.524 -1.325 -2.311 529 HD2 LYS 65 2HD LYS 65 -7.085 -0.124 -0.463 530 HD3 LYS 65 1HD LYS 65 -7.596 1.330 -1.322 531 HE2 LYS 65 2HE LYS 65 -9.310 1.465 0.165 532 HE3 LYS 65 1HE LYS 65 -9.992 0.026 -0.620 533 HZ1 LYS 65 3HZ LYS 65 -9.677 -0.732 1.516 534 HZ2 LYS 65 1HZ LYS 65 -8.284 0.200 1.768 535 HZ3 LYS 65 2HZ LYS 65 -8.209 -1.191 0.795 536 H GLU 66 H GLU 66 -7.395 1.879 -5.892 537 HA GLU 66 HA GLU 66 -7.980 0.095 -8.053 538 HB2 GLU 66 2HB GLU 66 -7.426 3.065 -7.848 539 HB3 GLU 66 1HB GLU 66 -7.994 2.286 -9.324 540 HG2 GLU 66 2HG GLU 66 -9.453 2.014 -6.688 541 HG3 GLU 66 1HG GLU 66 -9.803 3.308 -7.836 542 H ILE 67 H ILE 67 -5.128 2.053 -7.174 543 HA ILE 67 HA ILE 67 -3.675 1.405 -9.598 544 HB ILE 67 HB ILE 67 -2.900 2.547 -6.898 545 HG12 ILE 67 2HG1 ILE 67 -4.462 4.012 -7.992 546 HG13 ILE 67 1HG1 ILE 67 -2.873 4.683 -8.325 547 HG21 ILE 67 1HG2 ILE 67 -1.011 3.504 -8.462 548 HG22 ILE 67 2HG2 ILE 67 -1.374 2.073 -9.428 549 HG23 ILE 67 3HG2 ILE 67 -0.846 1.898 -7.755 550 HD11 ILE 67 3HD1 ILE 67 -3.067 3.050 -10.432 551 HD12 ILE 67 1HD1 ILE 67 -3.732 4.685 -10.459 552 HD13 ILE 67 2HD1 ILE 67 -4.788 3.307 -10.139 553 H ILE 68 H ILE 68 -3.678 0.113 -6.255 554 HA ILE 68 HA ILE 68 -1.392 -1.612 -6.669 555 HB ILE 68 HB ILE 68 -3.718 -1.546 -4.729 556 HG12 ILE 68 2HG1 ILE 68 -0.781 -1.075 -4.192 557 HG13 ILE 68 1HG1 ILE 68 -1.829 0.221 -4.771 558 HG21 ILE 68 1HG2 ILE 68 -1.624 -3.077 -3.637 559 HG22 ILE 68 2HG2 ILE 68 -1.859 -3.702 -5.269 560 HG23 ILE 68 3HG2 ILE 68 -3.211 -3.659 -4.138 561 HD11 ILE 68 3HD1 ILE 68 -3.345 -0.835 -2.746 562 HD12 ILE 68 1HD1 ILE 68 -2.275 0.555 -2.565 563 HD13 ILE 68 2HD1 ILE 68 -1.713 -1.055 -2.113 564 H GLN 69 H GLN 69 -4.919 -2.228 -6.728 565 HA GLN 69 HA GLN 69 -4.757 -4.993 -7.407 566 HB2 GLN 69 2HB GLN 69 -7.093 -4.738 -7.864 567 HB3 GLN 69 1HB GLN 69 -6.727 -3.558 -6.604 568 HG2 GLN 69 2HG GLN 69 -6.525 -1.786 -8.293 569 HG3 GLN 69 1HG GLN 69 -6.840 -2.957 -9.575 570 HE21 GLN 69 1HE2 GLN 69 -8.371 -1.867 -6.486 571 HE22 GLN 69 2HE2 GLN 69 -9.959 -1.946 -7.080 572 H ARG 70 H ARG 70 -4.825 -2.067 -9.452 573 HA ARG 70 HA ARG 70 -5.106 -3.295 -11.973 574 HB2 ARG 70 2HB ARG 70 -4.478 -0.758 -10.825 575 HB3 ARG 70 1HB ARG 70 -3.311 -1.070 -12.109 576 HG2 ARG 70 2HG ARG 70 -6.297 -1.415 -12.471 577 HG3 ARG 70 1HG ARG 70 -5.442 0.076 -12.868 578 HD2 ARG 70 2HD ARG 70 -4.161 -0.985 -14.577 579 HD3 ARG 70 1HD ARG 70 -4.600 -2.605 -14.001 580 HE ARG 70 HE ARG 70 -6.553 -0.695 -15.232 581 HH11 ARG 70 1HH2 ARG 70 -6.854 -3.378 -13.432 582 HH12 ARG 70 2HH2 ARG 70 -7.508 -4.409 -14.660 583 HH21 ARG 70 1HH1 ARG 70 -6.794 -2.218 -17.251 584 HH22 ARG 70 2HH1 ARG 70 -7.474 -3.753 -16.822 585 H ALA 71 H ALA 71 -2.101 -2.546 -10.152 586 HA ALA 71 HA ALA 71 -0.335 -3.601 -12.147 587 HB1 ALA 71 1HB ALA 71 -0.238 -2.241 -9.676 588 HB2 ALA 71 2HB ALA 71 1.117 -2.584 -10.752 589 HB3 ALA 71 3HB ALA 71 0.709 -3.712 -9.460 590 H LEU 72 H LEU 72 -1.525 -4.956 -9.063 591 HA LEU 72 HA LEU 72 -0.179 -7.426 -9.174 592 HB2 LEU 72 2HB LEU 72 -2.874 -6.631 -8.041 593 HB3 LEU 72 1HB LEU 72 -2.025 -8.120 -7.625 594 HG LEU 72 HG LEU 72 -0.986 -5.303 -7.195 595 HD11 LEU 72 1HD1 LEU 72 -2.356 -7.330 -5.485 596 HD12 LEU 72 2HD1 LEU 72 -2.448 -5.570 -5.433 597 HD13 LEU 72 3HD1 LEU 72 -1.049 -6.399 -4.751 598 HD21 LEU 72 3HD2 LEU 72 0.330 -7.894 -7.341 599 HD22 LEU 72 1HD2 LEU 72 0.535 -7.166 -5.748 600 HD23 LEU 72 2HD2 LEU 72 1.046 -6.290 -7.192 601 H GLU 73 H GLU 73 -3.367 -6.530 -10.474 602 HA GLU 73 HA GLU 73 -4.005 -9.140 -11.471 603 HB2 GLU 73 2HB GLU 73 -5.205 -6.592 -11.168 604 HB3 GLU 73 1HB GLU 73 -5.312 -6.993 -12.881 605 HG2 GLU 73 2HG GLU 73 -6.082 -8.939 -10.700 606 HG3 GLU 73 1HG GLU 73 -7.238 -7.822 -11.425 607 H ASN 74 H ASN 74 -2.761 -6.159 -12.958 608 HA ASN 74 HA ASN 74 -2.562 -7.149 -15.611 609 HB2 ASN 74 2HB ASN 74 -1.303 -4.972 -13.965 610 HB3 ASN 74 1HB ASN 74 -0.701 -5.275 -15.595 611 HD21 ASN 74 1HD2 ASN 74 -2.143 -2.854 -14.778 612 HD22 ASN 74 2HD2 ASN 74 -3.583 -2.808 -15.677 613 H TYR 75 H TYR 75 -0.376 -7.276 -12.806 614 HA TYR 75 HA TYR 75 1.807 -8.491 -14.333 615 HB2 TYR 75 2HB TYR 75 2.482 -7.279 -12.445 616 HB3 TYR 75 1HB TYR 75 1.147 -7.884 -11.462 617 HD1 TYR 75 2HD TYR 75 1.128 -10.292 -10.786 618 HD2 TYR 75 1HD TYR 75 4.587 -8.410 -12.475 619 HE1 TYR 75 2HE TYR 75 2.555 -12.133 -9.908 620 HE2 TYR 75 1HE TYR 75 6.015 -10.241 -11.617 621 HH TYR 75 HH TYR 75 5.085 -13.078 -10.810 622 H GLY 76 H GLY 76 -0.870 -9.633 -12.316 623 HA2 GLY 76 2HA GLY 76 -1.846 -11.825 -12.944 624 HA3 GLY 76 1HA GLY 76 -0.195 -12.392 -13.130 625 H ALA 77 H ALA 77 -0.731 -10.287 -10.453 626 HA ALA 77 HA ALA 77 -0.542 -12.653 -8.622 627 HB1 ALA 77 1HB ALA 77 0.091 -9.789 -7.930 628 HB2 ALA 77 2HB ALA 77 1.241 -10.758 -8.852 629 HB3 ALA 77 3HB ALA 77 0.759 -11.265 -7.233 630 H ARG 78 H ARG 78 -2.132 -12.929 -7.079 631 HA ARG 78 HA ARG 78 -4.263 -10.818 -6.906 632 HB2 ARG 78 2HB ARG 78 -4.588 -13.195 -8.002 633 HB3 ARG 78 1HB ARG 78 -4.677 -13.739 -6.326 634 HG2 ARG 78 2HG ARG 78 -6.928 -13.260 -7.042 635 HG3 ARG 78 1HG ARG 78 -6.440 -11.970 -5.940 636 HD2 ARG 78 2HD ARG 78 -5.589 -11.109 -8.483 637 HD3 ARG 78 1HD ARG 78 -7.221 -11.764 -8.725 638 HE ARG 78 HE ARG 78 -7.113 -10.184 -6.312 639 HH11 ARG 78 1HH2 ARG 78 -7.569 -10.194 -9.720 640 HH12 ARG 78 2HH2 ARG 78 -8.183 -8.577 -9.781 641 HH21 ARG 78 1HH1 ARG 78 -7.749 -7.999 -6.389 642 HH22 ARG 78 2HH1 ARG 78 -8.285 -7.334 -7.896 643 H VAL 79 H VAL 79 -4.682 -10.058 -4.830 644 HA VAL 79 HA VAL 79 -3.035 -10.958 -2.609 645 HB VAL 79 HB VAL 79 -5.489 -9.196 -2.522 646 HG11 VAL 79 1HG1 VAL 79 -3.867 -10.008 -0.518 647 HG12 VAL 79 2HG1 VAL 79 -4.653 -8.428 -0.535 648 HG13 VAL 79 3HG1 VAL 79 -2.977 -8.584 -1.060 649 HG21 VAL 79 3HG2 VAL 79 -2.720 -8.618 -3.586 650 HG22 VAL 79 1HG2 VAL 79 -3.759 -7.333 -2.969 651 HG23 VAL 79 2HG2 VAL 79 -4.272 -8.293 -4.357 652 H GLU 80 H GLU 80 -3.542 -12.644 -1.291 653 HA GLU 80 HA GLU 80 -6.151 -13.966 -1.514 654 HB2 GLU 80 2HB GLU 80 -5.026 -15.720 -0.446 655 HB3 GLU 80 1HB GLU 80 -3.687 -14.876 -1.225 656 HG2 GLU 80 2HG GLU 80 -3.742 -13.508 1.088 657 HG3 GLU 80 1HG GLU 80 -4.393 -15.044 1.664 658 H LYS 81 H LYS 81 -4.902 -11.408 0.323 659 HA LYS 81 HA LYS 81 -7.002 -11.789 2.420 660 HB2 LYS 81 2HB LYS 81 -5.337 -11.053 3.998 661 HB3 LYS 81 1HB LYS 81 -4.603 -12.309 3.002 662 HG2 LYS 81 2HG LYS 81 -2.943 -10.746 2.789 663 HG3 LYS 81 1HG LYS 81 -3.992 -10.168 1.492 664 HD2 LYS 81 2HD LYS 81 -4.169 -8.200 2.567 665 HD3 LYS 81 1HD LYS 81 -4.974 -9.031 3.898 666 HE2 LYS 81 2HE LYS 81 -1.967 -8.690 3.586 667 HE3 LYS 81 1HE LYS 81 -2.998 -7.841 4.755 668 HZ1 LYS 81 3HZ LYS 81 -3.690 -10.467 5.036 669 HZ2 LYS 81 1HZ LYS 81 -2.681 -9.591 6.081 670 HZ3 LYS 81 2HZ LYS 81 -2.003 -10.528 4.837 671 H VAL 82 H VAL 82 -7.840 -9.785 3.293 672 HA VAL 82 HA VAL 82 -7.079 -7.266 1.883 673 HB VAL 82 HB VAL 82 -8.968 -8.296 0.677 674 HG11 VAL 82 1HG1 VAL 82 -10.877 -9.106 1.719 675 HG12 VAL 82 2HG1 VAL 82 -10.699 -8.033 3.108 676 HG13 VAL 82 3HG1 VAL 82 -9.671 -9.458 2.957 677 HG21 VAL 82 3HG2 VAL 82 -10.353 -6.395 0.630 678 HG22 VAL 82 1HG2 VAL 82 -8.837 -5.755 1.264 679 HG23 VAL 82 2HG2 VAL 82 -10.173 -6.106 2.360 680 H GLU 83 H GLU 83 -6.361 -6.145 3.720 681 HA GLU 83 HA GLU 83 -8.282 -5.994 6.023 682 HB2 GLU 83 2HB GLU 83 -5.416 -6.697 5.837 683 HB3 GLU 83 1HB GLU 83 -5.820 -5.574 7.136 684 HG2 GLU 83 2HG GLU 83 -7.850 -7.419 7.331 685 HG3 GLU 83 1HG GLU 83 -6.483 -8.427 6.853 686 H GLU 84 H GLU 84 -9.099 -3.911 5.836 687 HA GLU 84 HA GLU 84 -7.282 -1.711 5.085 688 HB2 GLU 84 2HB GLU 84 -9.506 -2.112 3.967 689 HB3 GLU 84 1HB GLU 84 -10.281 -1.753 5.510 690 HG2 GLU 84 2HG GLU 84 -8.776 0.432 5.367 691 HG3 GLU 84 1HG GLU 84 -8.841 0.083 3.638 692 H LEU 85 H LEU 85 -6.140 -1.536 7.130 693 HA LEU 85 HA LEU 85 -7.843 -0.676 9.441 694 HB2 LEU 85 2HB LEU 85 -5.764 -1.329 10.736 695 HB3 LEU 85 1HB LEU 85 -6.536 -2.665 9.883 696 HG LEU 85 HG LEU 85 -4.614 -1.281 8.191 697 HD11 LEU 85 1HD1 LEU 85 -3.704 -1.053 10.647 698 HD12 LEU 85 2HD1 LEU 85 -2.624 -1.615 9.371 699 HD13 LEU 85 3HD1 LEU 85 -3.359 -2.775 10.478 700 HD21 LEU 85 3HD2 LEU 85 -5.037 -4.108 9.192 701 HD22 LEU 85 1HD2 LEU 85 -3.741 -3.679 8.075 702 HD23 LEU 85 2HD2 LEU 85 -5.424 -3.457 7.599 703 H GLY 86 H GLY 86 -6.427 0.881 10.915 704 HA2 GLY 86 2HA GLY 86 -5.421 2.989 11.126 705 HA3 GLY 86 1HA GLY 86 -4.460 2.564 9.708 706 H LEU 87 H LEU 87 -6.645 4.763 10.800 707 HA LEU 87 HA LEU 87 -7.120 5.876 8.181 708 HB2 LEU 87 2HB LEU 87 -8.862 3.864 9.068 709 HB3 LEU 87 1HB LEU 87 -9.726 5.368 9.386 710 HG LEU 87 HG LEU 87 -10.308 4.746 7.156 711 HD11 LEU 87 1HD1 LEU 87 -9.997 6.851 6.424 712 HD12 LEU 87 2HD1 LEU 87 -8.287 6.528 6.135 713 HD13 LEU 87 3HD1 LEU 87 -8.823 7.093 7.717 714 HD21 LEU 87 3HD2 LEU 87 -8.306 3.150 6.979 715 HD22 LEU 87 1HD2 LEU 87 -7.371 4.551 6.459 716 HD23 LEU 87 2HD2 LEU 87 -8.751 4.009 5.504 717 H ARG 88 H ARG 88 -5.915 7.304 9.933 718 HA ARG 88 HA ARG 88 -7.928 8.842 11.475 719 HB2 ARG 88 2HB ARG 88 -4.962 8.427 11.916 720 HB3 ARG 88 1HB ARG 88 -6.021 9.362 12.972 721 HG2 ARG 88 2HG ARG 88 -7.062 6.682 12.412 722 HG3 ARG 88 1HG ARG 88 -5.493 6.651 13.217 723 HD2 ARG 88 2HD ARG 88 -6.470 8.364 14.868 724 HD3 ARG 88 1HD ARG 88 -8.054 7.950 14.181 725 HE ARG 88 HE ARG 88 -6.831 5.492 14.695 726 HH11 ARG 88 1HH2 ARG 88 -9.098 7.339 16.110 727 HH12 ARG 88 2HH2 ARG 88 -8.737 6.928 17.753 728 HH21 ARG 88 1HH1 ARG 88 -5.738 5.369 16.982 729 HH22 ARG 88 2HH1 ARG 88 -6.835 5.812 18.247 730 H ARG 89 H ARG 89 -6.863 11.187 11.924 731 HA ARG 89 HA ARG 89 -5.557 12.217 9.455 732 HB2 ARG 89 2HB ARG 89 -8.139 13.306 10.615 733 HB3 ARG 89 1HB ARG 89 -7.357 13.809 9.114 734 HG2 ARG 89 2HG ARG 89 -7.596 11.360 8.365 735 HG3 ARG 89 1HG ARG 89 -8.708 11.177 9.722 736 HD2 ARG 89 2HD ARG 89 -10.355 12.402 8.697 737 HD3 ARG 89 1HD ARG 89 -9.193 13.534 7.975 738 HE ARG 89 HE ARG 89 -8.588 11.317 6.582 739 HH11 ARG 89 1HH2 ARG 89 -10.938 13.508 6.160 740 HH12 ARG 89 2HH2 ARG 89 -12.098 12.464 5.409 741 HH21 ARG 89 1HH1 ARG 89 -10.385 9.554 6.209 742 HH22 ARG 89 2HH1 ARG 89 -11.785 10.222 5.437 743 H LEU 90 H LEU 90 -3.816 13.280 10.315 744 HA LEU 90 HA LEU 90 -4.304 15.172 12.586 745 HB2 LEU 90 2HB LEU 90 -3.100 12.772 12.893 746 HB3 LEU 90 1HB LEU 90 -1.702 13.730 12.400 747 HG LEU 90 HG LEU 90 -3.501 14.920 14.457 748 HD11 LEU 90 1HD1 LEU 90 -1.391 13.132 15.517 749 HD12 LEU 90 2HD1 LEU 90 -2.799 12.315 14.840 750 HD13 LEU 90 3HD1 LEU 90 -2.999 13.475 16.153 751 HD21 LEU 90 3HD2 LEU 90 -1.732 16.326 14.383 752 HD22 LEU 90 1HD2 LEU 90 -0.780 15.181 13.438 753 HD23 LEU 90 2HD2 LEU 90 -0.808 15.064 15.198 754 H ALA 91 H ALA 91 -3.569 17.199 12.051 755 HA ALA 91 HA ALA 91 -1.136 17.554 10.445 756 HB1 ALA 91 1HB ALA 91 -2.170 18.305 8.484 757 HB2 ALA 91 2HB ALA 91 -3.678 18.692 9.316 758 HB3 ALA 91 3HB ALA 91 -3.259 17.011 8.988 759 H TYR 92 H TYR 92 -4.102 19.505 10.988 760 HA TYR 92 HA TYR 92 -2.360 21.627 12.186 761 HB2 TYR 92 2HB TYR 92 -4.945 21.553 10.645 762 HB3 TYR 92 1HB TYR 92 -4.546 22.962 11.628 763 HD1 TYR 92 2HD TYR 92 -1.812 23.498 11.372 764 HD2 TYR 92 1HD TYR 92 -4.432 21.847 8.395 765 HE1 TYR 92 2HE TYR 92 -0.298 24.317 9.586 766 HE2 TYR 92 1HE TYR 92 -2.916 22.664 6.609 767 HH TYR 92 HH TYR 92 0.082 23.400 6.940 768 HA PRO 93 HA PRO 93 -4.400 21.284 16.054 769 HB2 PRO 93 2HB PRO 93 -4.695 23.899 16.806 770 HB3 PRO 93 1HB PRO 93 -3.123 23.075 16.781 771 HG2 PRO 93 2HG PRO 93 -4.293 24.980 14.824 772 HG3 PRO 93 1HG PRO 93 -2.618 24.801 15.363 773 HD2 PRO 93 2HD PRO 93 -3.573 23.847 12.976 774 HD3 PRO 93 1HD PRO 93 -2.162 23.178 13.825 775 H ILE 94 H ILE 94 -6.471 20.435 15.384 776 HA ILE 94 HA ILE 94 -8.606 22.459 14.845 777 HB ILE 94 HB ILE 94 -7.990 20.460 13.304 778 HG12 ILE 94 2HG1 ILE 94 -10.075 21.856 13.168 779 HG13 ILE 94 1HG1 ILE 94 -10.313 20.185 12.651 780 HG21 ILE 94 1HG2 ILE 94 -9.722 18.945 15.264 781 HG22 ILE 94 2HG2 ILE 94 -7.961 18.876 15.330 782 HG23 ILE 94 3HG2 ILE 94 -8.811 18.309 13.893 783 HD11 ILE 94 3HD1 ILE 94 -11.065 19.692 15.039 784 HD12 ILE 94 1HD1 ILE 94 -12.157 20.694 14.085 785 HD13 ILE 94 2HD1 ILE 94 -11.105 21.437 15.290 786 H ALA 95 H ALA 95 -9.955 22.906 16.537 787 HA ALA 95 HA ALA 95 -10.905 20.793 18.334 788 HB1 ALA 95 1HB ALA 95 -9.163 23.040 19.395 789 HB2 ALA 95 2HB ALA 95 -8.604 21.386 19.148 790 HB3 ALA 95 3HB ALA 95 -9.865 21.725 20.335 791 H LYS 96 H LYS 96 -12.616 21.612 19.752 792 HA LYS 96 HA LYS 96 -13.709 24.255 18.845 793 HB2 LYS 96 2HB LYS 96 -14.749 21.723 18.619 794 HB3 LYS 96 1HB LYS 96 -15.489 22.273 20.123 795 HG2 LYS 96 2HG LYS 96 -16.760 23.851 19.074 796 HG3 LYS 96 1HG LYS 96 -15.483 24.257 17.925 797 HD2 LYS 96 2HD LYS 96 -15.940 22.067 16.764 798 HD3 LYS 96 1HD LYS 96 -17.340 21.865 17.820 799 HE2 LYS 96 2HE LYS 96 -18.497 23.036 16.245 800 HE3 LYS 96 1HE LYS 96 -17.625 24.465 16.836 801 HZ1 LYS 96 3HZ LYS 96 -17.361 23.890 14.383 802 HZ2 LYS 96 1HZ LYS 96 -16.405 22.590 14.902 803 HZ3 LYS 96 2HZ LYS 96 -15.940 24.184 15.266 Start of MODEL 10 1 H1 MET 1 1HT MET 1 3.287 10.408 9.961 2 H2 MET 1 2HT MET 1 3.765 9.851 11.493 3 H3 MET 1 3HT MET 1 2.129 9.791 11.036 4 HA MET 1 HA MET 1 3.076 8.318 9.086 5 HB2 MET 1 2HB MET 1 5.091 8.320 11.344 6 HB3 MET 1 1HB MET 1 4.992 6.992 10.186 7 HG2 MET 1 2HG MET 1 5.341 8.575 8.328 8 HG3 MET 1 1HG MET 1 5.430 9.910 9.478 9 HE1 MET 1 2HE MET 1 8.088 8.313 7.297 10 HE2 MET 1 3HE MET 1 6.729 7.251 7.656 11 HE3 MET 1 1HE MET 1 8.358 6.824 8.199 12 H ASP 2 H ASP 2 3.931 6.884 12.156 13 HA ASP 2 HA ASP 2 1.951 4.858 12.057 14 HB2 ASP 2 2HB ASP 2 3.994 4.704 13.365 15 HB3 ASP 2 1HB ASP 2 3.507 6.079 14.357 16 HA PRO 3 HA PRO 3 -0.728 7.592 14.846 17 HB2 PRO 3 2HB PRO 3 -0.011 10.198 15.245 18 HB3 PRO 3 1HB PRO 3 0.621 8.868 16.234 19 HG2 PRO 3 2HG PRO 3 1.968 10.472 14.191 20 HG3 PRO 3 1HG PRO 3 2.654 9.495 15.493 21 HD2 PRO 3 2HD PRO 3 2.411 8.826 12.715 22 HD3 PRO 3 1HD PRO 3 3.111 7.851 14.024 23 H GLN 4 H GLN 4 -0.030 7.875 11.782 24 HA GLN 4 HA GLN 4 -1.976 10.087 11.217 25 HB2 GLN 4 2HB GLN 4 0.602 9.160 10.024 26 HB3 GLN 4 1HB GLN 4 -0.585 9.873 8.936 27 HG2 GLN 4 2HG GLN 4 -0.691 11.891 10.287 28 HG3 GLN 4 1HG GLN 4 0.372 11.176 11.498 29 HE21 GLN 4 1HE2 GLN 4 1.095 10.451 8.156 30 HE22 GLN 4 2HE2 GLN 4 2.437 11.481 8.020 31 H GLY 5 H GLY 5 -2.212 9.351 8.429 32 HA2 GLY 5 2HA GLY 5 -4.283 7.345 8.648 33 HA3 GLY 5 1HA GLY 5 -3.750 8.116 7.157 34 H TYR 6 H TYR 6 -1.093 6.773 8.799 35 HA TYR 6 HA TYR 6 -0.687 4.774 6.750 36 HB2 TYR 6 2HB TYR 6 1.215 5.767 7.767 37 HB3 TYR 6 1HB TYR 6 0.582 5.512 9.391 38 HD1 TYR 6 2HD TYR 6 0.310 2.898 6.821 39 HD2 TYR 6 1HD TYR 6 2.614 4.350 10.143 40 HE1 TYR 6 2HE TYR 6 1.502 0.726 6.944 41 HE2 TYR 6 1HE TYR 6 3.805 2.179 10.267 42 HH TYR 6 HH TYR 6 2.866 -0.494 9.218 43 H PHE 7 H PHE 7 -2.371 3.206 6.776 44 HA PHE 7 HA PHE 7 -2.228 1.222 8.889 45 HB2 PHE 7 2HB PHE 7 -4.099 3.404 9.000 46 HB3 PHE 7 1HB PHE 7 -4.988 1.896 8.788 47 HD1 PHE 7 2HD PHE 7 -3.146 -0.009 10.164 48 HD2 PHE 7 1HD PHE 7 -4.467 3.921 11.284 49 HE1 PHE 7 2HE PHE 7 -2.780 -0.567 12.553 50 HE2 PHE 7 1HE PHE 7 -4.104 3.364 13.672 51 HZ PHE 7 HZ PHE 7 -3.260 1.120 14.307 52 H LEU 8 H LEU 8 -1.639 0.638 6.374 53 HA LEU 8 HA LEU 8 -4.009 -0.807 5.364 54 HB2 LEU 8 2HB LEU 8 -2.179 0.258 3.305 55 HB3 LEU 8 1HB LEU 8 -3.939 0.231 3.323 56 HG LEU 8 HG LEU 8 -2.268 2.156 4.966 57 HD11 LEU 8 1HD1 LEU 8 -3.621 3.596 3.014 58 HD12 LEU 8 2HD1 LEU 8 -3.036 2.178 2.144 59 HD13 LEU 8 3HD1 LEU 8 -1.900 3.215 3.006 60 HD21 LEU 8 3HD2 LEU 8 -4.233 2.817 5.867 61 HD22 LEU 8 1HD2 LEU 8 -4.967 1.393 5.128 62 HD23 LEU 8 2HD2 LEU 8 -4.984 2.935 4.276 63 H TRP 9 H TRP 9 -3.507 -2.934 4.895 64 HA TRP 9 HA TRP 9 -0.600 -3.614 4.568 65 HB2 TRP 9 2HB TRP 9 -2.114 -4.155 6.745 66 HB3 TRP 9 1HB TRP 9 -2.486 -5.577 5.772 67 HD1 TRP 9 HD TRP 9 0.223 -6.092 4.366 68 HE1 TRP 9 1HE TRP 9 2.287 -6.861 5.705 69 HE3 TRP 9 3HE TRP 9 -1.115 -4.513 9.038 70 HZ2 TRP 9 2HZ TRP 9 3.244 -6.814 8.400 71 HZ3 TRP 9 3HZ TRP 9 0.392 -4.888 10.970 72 HH2 TRP 9 HH TRP 9 2.568 -6.035 10.657 73 H TYR 10 H TYR 10 -0.198 -4.683 2.674 74 HA TYR 10 HA TYR 10 -2.460 -6.158 1.358 75 HB2 TYR 10 2HB TYR 10 -0.256 -4.454 0.149 76 HB3 TYR 10 1HB TYR 10 -1.464 -5.344 -0.777 77 HD1 TYR 10 1HD TYR 10 -3.942 -4.955 0.632 78 HD2 TYR 10 2HD TYR 10 -0.732 -2.168 0.018 79 HE1 TYR 10 1HE TYR 10 -5.531 -3.067 0.888 80 HE2 TYR 10 2HE TYR 10 -2.321 -0.281 0.273 81 HH TYR 10 HH TYR 10 -5.118 -0.414 1.673 82 H GLN 11 H GLN 11 -1.920 -8.318 1.430 83 HA GLN 11 HA GLN 11 0.927 -9.094 1.223 84 HB2 GLN 11 2HB GLN 11 -0.833 -9.696 3.130 85 HB3 GLN 11 1HB GLN 11 -1.270 -10.969 1.989 86 HG2 GLN 11 2HG GLN 11 1.350 -11.332 1.884 87 HG3 GLN 11 1HG GLN 11 1.303 -10.549 3.465 88 HE21 GLN 11 1HE2 GLN 11 1.934 -12.676 4.426 89 HE22 GLN 11 2HE2 GLN 11 0.760 -13.885 4.630 90 H VAL 12 H VAL 12 1.519 -10.723 -0.346 91 HA VAL 12 HA VAL 12 -0.605 -11.326 -2.381 92 HB VAL 12 HB VAL 12 1.066 -10.957 -4.086 93 HG11 VAL 12 1HG1 VAL 12 1.413 -8.769 -2.032 94 HG12 VAL 12 2HG1 VAL 12 -0.061 -8.981 -2.979 95 HG13 VAL 12 3HG1 VAL 12 1.462 -8.615 -3.789 96 HG21 VAL 12 3HG2 VAL 12 3.095 -11.775 -3.304 97 HG22 VAL 12 1HG2 VAL 12 2.906 -11.023 -1.721 98 HG23 VAL 12 2HG2 VAL 12 3.362 -10.043 -3.114 99 H GLU 13 H GLU 13 0.468 -13.103 -3.945 100 HA GLU 13 HA GLU 13 1.939 -15.155 -2.358 101 HB2 GLU 13 2HB GLU 13 -0.354 -15.644 -1.866 102 HB3 GLU 13 1HB GLU 13 -0.834 -15.404 -3.545 103 HG2 GLU 13 2HG GLU 13 -0.235 -17.509 -4.135 104 HG3 GLU 13 1HG GLU 13 1.267 -17.429 -3.213 105 H MET 14 H MET 14 3.265 -13.956 -4.323 106 HA MET 14 HA MET 14 3.030 -15.795 -6.675 107 HB2 MET 14 2HB MET 14 3.744 -13.844 -8.004 108 HB3 MET 14 1HB MET 14 2.252 -13.506 -7.135 109 HG2 MET 14 2HG MET 14 4.340 -12.817 -5.370 110 HG3 MET 14 1HG MET 14 4.808 -12.165 -6.941 111 HE1 MET 14 3HE MET 14 4.604 -10.119 -7.285 112 HE2 MET 14 1HE MET 14 3.251 -9.004 -7.055 113 HE3 MET 14 2HE MET 14 3.178 -10.234 -8.313 114 HA PRO 15 HA PRO 15 7.228 -16.820 -5.859 115 HB2 PRO 15 2HB PRO 15 7.982 -17.539 -8.385 116 HB3 PRO 15 1HB PRO 15 7.009 -18.549 -7.332 117 HG2 PRO 15 2HG PRO 15 6.179 -16.819 -9.592 118 HG3 PRO 15 1HG PRO 15 5.554 -18.403 -9.106 119 HD2 PRO 15 2HD PRO 15 4.262 -16.070 -8.574 120 HD3 PRO 15 1HD PRO 15 4.129 -17.514 -7.548 121 H GLU 16 H GLU 16 9.311 -16.725 -7.419 122 HA GLU 16 HA GLU 16 10.328 -14.070 -7.336 123 HB2 GLU 16 2HB GLU 16 11.372 -16.490 -7.411 124 HB3 GLU 16 1HB GLU 16 11.331 -16.230 -9.153 125 HG2 GLU 16 2HG GLU 16 12.403 -13.940 -7.646 126 HG3 GLU 16 1HG GLU 16 13.372 -15.406 -7.489 127 H ASP 17 H ASP 17 8.556 -15.887 -9.681 128 HA ASP 17 HA ASP 17 9.316 -14.483 -12.051 129 HB2 ASP 17 2HB ASP 17 8.104 -16.724 -11.682 130 HB3 ASP 17 1HB ASP 17 6.638 -15.757 -11.512 131 H ARG 18 H ARG 18 6.475 -14.050 -9.920 132 HA ARG 18 HA ARG 18 5.677 -11.616 -11.415 133 HB2 ARG 18 2HB ARG 18 4.258 -12.385 -8.933 134 HB3 ARG 18 1HB ARG 18 3.607 -11.986 -10.517 135 HG2 ARG 18 2HG ARG 18 4.523 -14.246 -11.302 136 HG3 ARG 18 1HG ARG 18 4.755 -14.620 -9.593 137 HD2 ARG 18 2HD ARG 18 2.595 -15.397 -9.745 138 HD3 ARG 18 1HD ARG 18 2.176 -13.679 -9.583 139 HE ARG 18 HE ARG 18 2.449 -13.672 -12.184 140 HH11 ARG 18 1HH2 ARG 18 0.558 -15.636 -10.195 141 HH12 ARG 18 2HH2 ARG 18 -0.033 -16.648 -11.470 142 HH21 ARG 18 1HH1 ARG 18 2.044 -15.266 -13.882 143 HH22 ARG 18 2HH1 ARG 18 0.810 -16.438 -13.560 144 H VAL 19 H VAL 19 7.527 -12.389 -8.645 145 HA VAL 19 HA VAL 19 7.084 -10.382 -6.777 146 HB VAL 19 HB VAL 19 8.816 -12.178 -6.766 147 HG11 VAL 19 1HG1 VAL 19 10.503 -10.322 -8.428 148 HG12 VAL 19 2HG1 VAL 19 9.496 -11.569 -9.164 149 HG13 VAL 19 3HG1 VAL 19 10.785 -12.022 -8.049 150 HG21 VAL 19 3HG2 VAL 19 8.878 -9.860 -5.432 151 HG22 VAL 19 1HG2 VAL 19 10.347 -9.640 -6.383 152 HG23 VAL 19 2HG2 VAL 19 10.196 -11.027 -5.303 153 H ASN 20 H ASN 20 8.725 -10.085 -9.895 154 HA ASN 20 HA ASN 20 9.761 -7.470 -9.718 155 HB2 ASN 20 2HB ASN 20 8.533 -9.098 -11.957 156 HB3 ASN 20 1HB ASN 20 9.278 -7.527 -12.249 157 HD21 ASN 20 1HD2 ASN 20 9.936 -10.895 -11.704 158 HD22 ASN 20 2HD2 ASN 20 11.629 -10.773 -11.671 159 H ASP 21 H ASP 21 6.455 -8.585 -10.095 160 HA ASP 21 HA ASP 21 5.179 -6.264 -11.058 161 HB2 ASP 21 2HB ASP 21 4.378 -8.685 -10.535 162 HB3 ASP 21 1HB ASP 21 4.060 -8.064 -8.920 163 H LEU 22 H LEU 22 6.290 -7.116 -7.822 164 HA LEU 22 HA LEU 22 4.926 -5.125 -6.313 165 HB2 LEU 22 2HB LEU 22 7.533 -6.624 -6.084 166 HB3 LEU 22 1HB LEU 22 7.101 -5.410 -4.877 167 HG LEU 22 HG LEU 22 6.338 -7.638 -4.161 168 HD11 LEU 22 1HD1 LEU 22 3.699 -6.629 -4.800 169 HD12 LEU 22 2HD1 LEU 22 4.773 -5.301 -4.363 170 HD13 LEU 22 3HD1 LEU 22 4.532 -6.645 -3.246 171 HD21 LEU 22 3HD2 LEU 22 4.570 -7.596 -6.625 172 HD22 LEU 22 1HD2 LEU 22 4.751 -8.910 -5.462 173 HD23 LEU 22 2HD2 LEU 22 6.085 -8.494 -6.538 174 H ALA 23 H ALA 23 7.925 -4.995 -8.203 175 HA ALA 23 HA ALA 23 8.837 -2.432 -7.441 176 HB1 ALA 23 1HB ALA 23 9.868 -4.305 -8.911 177 HB2 ALA 23 2HB ALA 23 10.208 -2.635 -9.365 178 HB3 ALA 23 3HB ALA 23 8.982 -3.553 -10.239 179 H ARG 24 H ARG 24 6.738 -3.352 -10.195 180 HA ARG 24 HA ARG 24 6.179 -0.660 -10.994 181 HB2 ARG 24 2HB ARG 24 5.010 -3.390 -11.488 182 HB3 ARG 24 1HB ARG 24 4.251 -1.954 -12.175 183 HG2 ARG 24 2HG ARG 24 7.147 -2.768 -12.568 184 HG3 ARG 24 1HG ARG 24 5.861 -2.948 -13.763 185 HD2 ARG 24 2HD ARG 24 6.392 -0.856 -14.476 186 HD3 ARG 24 1HD ARG 24 5.717 -0.257 -12.948 187 HE ARG 24 HE ARG 24 7.937 -0.210 -12.017 188 HH11 ARG 24 1HH1 ARG 24 8.377 0.787 -14.904 189 HH12 ARG 24 2HH1 ARG 24 9.814 -0.086 -15.322 190 HH21 ARG 24 1HH2 ARG 24 9.536 -2.321 -12.685 191 HH22 ARG 24 2HH2 ARG 24 10.469 -1.846 -14.064 192 H GLU 25 H GLU 25 4.312 -3.056 -9.108 193 HA GLU 25 HA GLU 25 1.995 -1.537 -8.627 194 HB2 GLU 25 2HB GLU 25 2.523 -3.975 -8.119 195 HB3 GLU 25 1HB GLU 25 3.372 -3.404 -6.681 196 HG2 GLU 25 2HG GLU 25 0.984 -2.062 -6.483 197 HG3 GLU 25 1HG GLU 25 0.476 -3.591 -7.200 198 H LEU 26 H LEU 26 4.971 -1.749 -6.652 199 HA LEU 26 HA LEU 26 4.125 0.182 -4.691 200 HB2 LEU 26 2HB LEU 26 6.225 -0.238 -3.781 201 HB3 LEU 26 1HB LEU 26 6.033 -1.666 -4.792 202 HG LEU 26 HG LEU 26 7.202 -0.250 -6.629 203 HD11 LEU 26 1HD1 LEU 26 7.533 1.897 -5.963 204 HD12 LEU 26 2HD1 LEU 26 8.906 1.238 -5.075 205 HD13 LEU 26 3HD1 LEU 26 7.364 1.487 -4.256 206 HD21 LEU 26 3HD2 LEU 26 8.181 -2.202 -5.399 207 HD22 LEU 26 1HD2 LEU 26 8.795 -1.077 -4.188 208 HD23 LEU 26 2HD2 LEU 26 9.382 -0.991 -5.849 209 H ARG 27 H ARG 27 5.934 0.439 -7.736 210 HA ARG 27 HA ARG 27 6.667 3.213 -7.437 211 HB2 ARG 27 2HB ARG 27 7.946 2.149 -9.026 212 HB3 ARG 27 1HB ARG 27 6.641 1.061 -9.488 213 HG2 ARG 27 2HG ARG 27 7.114 2.542 -11.353 214 HG3 ARG 27 1HG ARG 27 5.543 2.975 -10.679 215 HD2 ARG 27 2HD ARG 27 6.331 5.097 -10.491 216 HD3 ARG 27 1HD ARG 27 7.410 4.498 -9.215 217 HE ARG 27 HE ARG 27 8.139 4.767 -12.091 218 HH11 ARG 27 1HH1 ARG 27 9.251 5.706 -9.199 219 HH12 ARG 27 2HH1 ARG 27 10.802 4.940 -9.284 220 HH21 ARG 27 1HH2 ARG 27 9.995 3.014 -12.053 221 HH22 ARG 27 2HH2 ARG 27 11.224 3.416 -10.898 222 H ILE 28 H ILE 28 3.890 1.544 -8.930 223 HA ILE 28 HA ILE 28 2.687 3.747 -10.212 224 HB ILE 28 HB ILE 28 1.776 1.151 -9.004 225 HG12 ILE 28 2HG1 ILE 28 1.841 2.281 -11.821 226 HG13 ILE 28 1HG1 ILE 28 2.990 1.128 -11.141 227 HG21 ILE 28 1HG2 ILE 28 -0.477 1.539 -9.922 228 HG22 ILE 28 2HG2 ILE 28 -0.012 3.178 -10.380 229 HG23 ILE 28 3HG2 ILE 28 -0.095 2.728 -8.677 230 HD11 ILE 28 3HD1 ILE 28 0.668 -0.162 -10.608 231 HD12 ILE 28 1HD1 ILE 28 1.588 -0.406 -12.094 232 HD13 ILE 28 2HD1 ILE 28 0.209 0.696 -12.079 233 H ARG 29 H ARG 29 2.199 2.526 -6.879 234 HA ARG 29 HA ARG 29 0.310 4.623 -6.186 235 HB2 ARG 29 2HB ARG 29 0.560 3.650 -3.936 236 HB3 ARG 29 1HB ARG 29 0.402 2.374 -5.142 237 HG2 ARG 29 2HG ARG 29 2.914 2.221 -5.202 238 HG3 ARG 29 1HG ARG 29 2.962 3.347 -3.847 239 HD2 ARG 29 2HD ARG 29 1.432 0.724 -3.789 240 HD3 ARG 29 1HD ARG 29 3.066 0.933 -3.128 241 HE ARG 29 HE ARG 29 2.025 2.828 -1.735 242 HH11 ARG 29 1HH1 ARG 29 1.228 -0.219 -1.259 243 HH12 ARG 29 2HH1 ARG 29 -0.423 0.011 -0.788 244 HH21 ARG 29 1HH2 ARG 29 -0.548 3.304 -1.863 245 HH22 ARG 29 2HH2 ARG 29 -1.428 2.006 -1.130 246 H ASP 30 H ASP 30 2.281 6.086 -7.257 247 HA ASP 30 HA ASP 30 4.405 6.867 -5.453 248 HB2 ASP 30 2HB ASP 30 4.090 7.113 -8.032 249 HB3 ASP 30 1HB ASP 30 3.198 8.579 -7.622 250 H ASN 31 H ASN 31 1.047 7.818 -5.834 251 HA ASN 31 HA ASN 31 1.084 10.388 -4.625 252 HB2 ASN 31 2HB ASN 31 -0.800 9.160 -5.808 253 HB3 ASN 31 1HB ASN 31 -1.032 8.238 -4.322 254 HD21 ASN 31 1HD2 ASN 31 -2.386 9.179 -2.772 255 HD22 ASN 31 2HD2 ASN 31 -2.860 10.809 -2.765 256 H VAL 32 H VAL 32 1.679 7.273 -3.255 257 HA VAL 32 HA VAL 32 0.945 8.002 -0.513 258 HB VAL 32 HB VAL 32 1.205 5.685 -1.917 259 HG11 VAL 32 1HG1 VAL 32 3.135 4.447 -0.912 260 HG12 VAL 32 2HG1 VAL 32 3.734 5.975 -0.269 261 HG13 VAL 32 3HG1 VAL 32 3.635 5.731 -2.014 262 HG21 VAL 32 3HG2 VAL 32 0.659 4.620 0.095 263 HG22 VAL 32 1HG2 VAL 32 0.194 6.291 0.414 264 HG23 VAL 32 2HG2 VAL 32 1.716 5.663 1.047 265 H ARG 33 H ARG 33 2.622 8.021 1.242 266 HA ARG 33 HA ARG 33 4.827 9.789 0.523 267 HB2 ARG 33 2HB ARG 33 3.254 9.123 2.770 268 HB3 ARG 33 1HB ARG 33 4.919 8.734 3.208 269 HG2 ARG 33 2HG ARG 33 5.258 11.132 1.940 270 HG3 ARG 33 1HG ARG 33 3.677 11.364 2.687 271 HD2 ARG 33 2HD ARG 33 4.521 11.168 4.853 272 HD3 ARG 33 1HD ARG 33 5.907 10.189 4.332 273 HE ARG 33 HE ARG 33 6.735 12.317 3.180 274 HH11 ARG 33 1HH2 ARG 33 6.990 12.402 6.211 275 HH12 ARG 33 2HH2 ARG 33 6.356 13.976 6.560 276 HH21 ARG 33 1HH1 ARG 33 4.856 14.352 3.457 277 HH22 ARG 33 2HH1 ARG 33 5.149 15.079 5.001 278 H ARG 34 H ARG 34 4.646 6.421 1.798 279 HA ARG 34 HA ARG 34 7.363 5.955 0.673 280 HB2 ARG 34 2HB ARG 34 6.928 6.734 3.303 281 HB3 ARG 34 1HB ARG 34 7.090 4.982 3.416 282 HG2 ARG 34 2HG ARG 34 9.214 5.077 2.191 283 HG3 ARG 34 1HG ARG 34 9.052 6.827 2.026 284 HD2 ARG 34 2HD ARG 34 8.711 6.206 4.792 285 HD3 ARG 34 1HD ARG 34 10.176 5.375 4.225 286 HE ARG 34 HE ARG 34 9.890 8.231 4.476 287 HH11 ARG 34 1HH1 ARG 34 12.487 6.681 4.340 288 HH12 ARG 34 2HH1 ARG 34 13.144 7.238 2.836 289 HH21 ARG 34 1HH2 ARG 34 10.141 8.558 1.713 290 HH22 ARG 34 2HH2 ARG 34 11.815 8.302 1.349 291 H VAL 35 H VAL 35 7.761 3.775 0.226 292 HA VAL 35 HA VAL 35 5.683 1.796 0.951 293 HB VAL 35 HB VAL 35 7.065 1.999 -1.726 294 HG11 VAL 35 1HG1 VAL 35 5.206 0.578 -2.463 295 HG12 VAL 35 2HG1 VAL 35 4.506 0.630 -0.846 296 HG13 VAL 35 3HG1 VAL 35 6.049 -0.182 -1.113 297 HG21 VAL 35 3HG2 VAL 35 5.169 3.198 -2.579 298 HG22 VAL 35 1HG2 VAL 35 5.681 4.056 -1.125 299 HG23 VAL 35 2HG2 VAL 35 4.279 2.988 -1.072 300 H MET 36 H MET 36 6.545 0.009 1.869 301 HA MET 36 HA MET 36 9.274 -0.833 1.131 302 HB2 MET 36 2HB MET 36 8.796 0.628 3.356 303 HB3 MET 36 1HB MET 36 8.494 -0.988 3.993 304 HG2 MET 36 2HG MET 36 10.831 -0.536 4.331 305 HG3 MET 36 1HG MET 36 10.719 -1.687 3.000 306 HE1 MET 36 3HE MET 36 12.972 -1.293 2.340 307 HE2 MET 36 1HE MET 36 13.416 0.048 3.405 308 HE3 MET 36 2HE MET 36 13.680 0.173 1.667 309 H VAL 37 H VAL 37 8.978 -2.917 0.396 310 HA VAL 37 HA VAL 37 6.911 -4.601 1.771 311 HB VAL 37 HB VAL 37 8.060 -4.667 -1.034 312 HG11 VAL 37 1HG1 VAL 37 7.300 -6.785 -1.126 313 HG12 VAL 37 2HG1 VAL 37 5.674 -6.174 -0.822 314 HG13 VAL 37 3HG1 VAL 37 6.695 -6.673 0.526 315 HG21 VAL 37 3HG2 VAL 37 5.973 -3.133 0.172 316 HG22 VAL 37 1HG2 VAL 37 5.221 -4.317 -0.897 317 HG23 VAL 37 2HG2 VAL 37 6.426 -3.196 -1.531 318 H VAL 38 H VAL 38 7.629 -6.428 2.793 319 HA VAL 38 HA VAL 38 10.506 -7.168 2.505 320 HB VAL 38 HB VAL 38 10.190 -8.186 4.681 321 HG11 VAL 38 1HG1 VAL 38 8.919 -6.162 5.845 322 HG12 VAL 38 2HG1 VAL 38 9.055 -5.452 4.238 323 HG13 VAL 38 3HG1 VAL 38 10.506 -5.935 5.114 324 HG21 VAL 38 3HG2 VAL 38 7.796 -7.971 5.686 325 HG22 VAL 38 1HG2 VAL 38 8.115 -9.288 4.556 326 HG23 VAL 38 2HG2 VAL 38 7.274 -7.838 4.006 327 H ALA 39 H ALA 39 11.077 -9.233 1.782 328 HA ALA 39 HA ALA 39 9.021 -10.797 0.397 329 HB1 ALA 39 1HB ALA 39 11.057 -12.186 -0.173 330 HB2 ALA 39 2HB ALA 39 12.005 -11.094 0.838 331 HB3 ALA 39 3HB ALA 39 11.199 -10.482 -0.606 332 H SER 40 H SER 40 8.521 -13.015 0.882 333 HA SER 40 HA SER 40 8.372 -13.636 3.718 334 HB2 SER 40 2HB SER 40 7.746 -15.919 2.244 335 HB3 SER 40 1HB SER 40 6.608 -14.669 2.735 336 HG SER 40 HG SER 40 8.116 -14.787 0.329 337 H THR 41 H THR 41 9.432 -15.425 4.781 338 HA THR 41 HA THR 41 12.186 -15.863 3.957 339 HB THR 41 HB THR 41 12.264 -17.135 6.041 340 HG1 THR 41 1HG THR 41 10.424 -18.314 5.974 341 HG21 THR 41 3HG2 THR 41 12.114 -14.641 6.142 342 HG22 THR 41 1HG2 THR 41 11.460 -15.431 7.575 343 HG23 THR 41 2HG2 THR 41 10.370 -14.791 6.346 344 H THR 42 H THR 42 9.236 -17.402 3.161 345 HA THR 42 HA THR 42 10.759 -19.676 1.990 346 HB THR 42 HB THR 42 8.561 -19.723 4.029 347 HG1 THR 42 1HG THR 42 10.012 -21.761 4.310 348 HG21 THR 42 3HG2 THR 42 9.067 -21.948 2.031 349 HG22 THR 42 1HG2 THR 42 7.639 -20.914 2.043 350 HG23 THR 42 2HG2 THR 42 7.947 -22.005 3.393 351 HA PRO 43 HA PRO 43 6.673 -19.452 -0.410 352 HB2 PRO 43 2HB PRO 43 4.648 -17.852 0.508 353 HB3 PRO 43 1HB PRO 43 4.838 -19.549 0.993 354 HG2 PRO 43 2HG PRO 43 5.602 -17.068 2.451 355 HG3 PRO 43 1HG PRO 43 4.896 -18.569 3.070 356 HD2 PRO 43 2HD PRO 43 7.530 -17.967 3.308 357 HD3 PRO 43 1HD PRO 43 6.921 -19.630 3.192 358 H GLY 44 H GLY 44 5.352 -17.519 -1.618 359 HA2 GLY 44 2HA GLY 44 7.323 -15.376 -2.018 360 HA3 GLY 44 1HA GLY 44 6.127 -15.872 -3.207 361 H ARG 45 H ARG 45 5.445 -15.386 0.197 362 HA ARG 45 HA ARG 45 3.400 -13.362 -0.531 363 HB2 ARG 45 2HB ARG 45 4.002 -15.259 1.670 364 HB3 ARG 45 1HB ARG 45 3.216 -13.758 2.159 365 HG2 ARG 45 2HG ARG 45 1.280 -14.235 1.016 366 HG3 ARG 45 1HG ARG 45 2.120 -15.147 -0.238 367 HD2 ARG 45 2HD ARG 45 2.481 -17.013 1.355 368 HD3 ARG 45 1HD ARG 45 1.607 -16.103 2.603 369 HE ARG 45 HE ARG 45 0.186 -16.466 0.039 370 HH11 ARG 45 1HH2 ARG 45 0.387 -19.171 1.165 371 HH12 ARG 45 2HH2 ARG 45 -0.962 -19.251 2.246 372 HH21 ARG 45 1HH1 ARG 45 -1.418 -15.815 2.355 373 HH22 ARG 45 2HH1 ARG 45 -1.985 -17.351 2.920 374 H TYR 46 H TYR 46 3.629 -11.200 -0.034 375 HA TYR 46 HA TYR 46 6.062 -10.404 1.524 376 HB2 TYR 46 2HB TYR 46 4.574 -9.021 -0.711 377 HB3 TYR 46 1HB TYR 46 5.973 -8.367 0.116 378 HD1 TYR 46 1HD TYR 46 4.863 -11.393 -1.792 379 HD2 TYR 46 2HD TYR 46 8.125 -8.854 -0.630 380 HE1 TYR 46 1HE TYR 46 6.385 -12.660 -3.287 381 HE2 TYR 46 2HE TYR 46 9.643 -10.115 -2.120 382 HH TYR 46 HH TYR 46 9.650 -12.565 -3.091 383 H GLU 47 H GLU 47 5.828 -8.561 2.863 384 HA GLU 47 HA GLU 47 3.044 -8.119 3.854 385 HB2 GLU 47 2HB GLU 47 5.767 -7.576 5.084 386 HB3 GLU 47 1HB GLU 47 4.219 -7.392 5.905 387 HG2 GLU 47 2HG GLU 47 3.870 -9.899 5.147 388 HG3 GLU 47 1HG GLU 47 5.632 -9.900 5.072 389 H VAL 48 H VAL 48 2.368 -6.471 2.388 390 HA VAL 48 HA VAL 48 4.043 -4.153 1.806 391 HB VAL 48 HB VAL 48 1.112 -4.797 1.366 392 HG11 VAL 48 1HG1 VAL 48 1.801 -3.022 -0.581 393 HG12 VAL 48 2HG1 VAL 48 2.767 -2.418 0.765 394 HG13 VAL 48 3HG1 VAL 48 1.017 -2.560 0.929 395 HG21 VAL 48 3HG2 VAL 48 3.475 -4.909 -0.532 396 HG22 VAL 48 1HG2 VAL 48 1.819 -5.403 -0.885 397 HG23 VAL 48 2HG2 VAL 48 2.783 -6.315 0.276 398 H ASN 49 H ASN 49 4.365 -2.600 3.345 399 HA ASN 49 HA ASN 49 2.044 -1.725 4.995 400 HB2 ASN 49 2HB ASN 49 4.927 -2.255 5.794 401 HB3 ASN 49 1HB ASN 49 3.769 -1.417 6.829 402 HD21 ASN 49 1HD2 ASN 49 4.943 -4.512 5.966 403 HD22 ASN 49 2HD2 ASN 49 3.714 -5.437 6.682 404 H ILE 50 H ILE 50 1.697 0.170 3.878 405 HA ILE 50 HA ILE 50 4.029 1.993 3.442 406 HB ILE 50 HB ILE 50 1.466 1.391 2.015 407 HG12 ILE 50 2HG1 ILE 50 2.863 1.224 0.135 408 HG13 ILE 50 1HG1 ILE 50 4.085 2.302 0.823 409 HG21 ILE 50 1HG2 ILE 50 2.148 3.644 0.717 410 HG22 ILE 50 2HG2 ILE 50 2.644 4.109 2.343 411 HG23 ILE 50 3HG2 ILE 50 0.973 3.638 2.032 412 HD11 ILE 50 3HD1 ILE 50 4.750 0.613 2.427 413 HD12 ILE 50 1HD1 ILE 50 4.752 -0.136 0.829 414 HD13 ILE 50 2HD1 ILE 50 3.421 -0.443 1.946 415 H VAL 51 H VAL 51 3.974 4.044 4.264 416 HA VAL 51 HA VAL 51 1.913 4.615 6.324 417 HB VAL 51 HB VAL 51 4.418 4.808 6.673 418 HG11 VAL 51 1HG1 VAL 51 4.095 7.267 4.928 419 HG12 VAL 51 2HG1 VAL 51 4.851 5.768 4.389 420 HG13 VAL 51 3HG1 VAL 51 5.579 6.702 5.696 421 HG21 VAL 51 3HG2 VAL 51 3.217 5.975 8.296 422 HG22 VAL 51 1HG2 VAL 51 2.474 7.056 7.115 423 HG23 VAL 51 2HG2 VAL 51 4.162 7.279 7.576 424 H LEU 52 H LEU 52 0.327 6.139 6.004 425 HA LEU 52 HA LEU 52 0.148 7.433 3.355 426 HB2 LEU 52 2HB LEU 52 -1.689 7.301 5.768 427 HB3 LEU 52 1HB LEU 52 -2.138 7.963 4.197 428 HG LEU 52 HG LEU 52 -1.382 5.104 4.843 429 HD11 LEU 52 1HD1 LEU 52 -3.751 5.542 3.240 430 HD12 LEU 52 2HD1 LEU 52 -3.836 6.489 4.725 431 HD13 LEU 52 3HD1 LEU 52 -3.604 4.742 4.804 432 HD21 LEU 52 3HD2 LEU 52 -0.323 5.360 2.781 433 HD22 LEU 52 1HD2 LEU 52 -1.445 6.613 2.247 434 HD23 LEU 52 2HD2 LEU 52 -1.953 4.925 2.264 435 H ASN 53 H ASN 53 -0.762 9.775 3.454 436 HA ASN 53 HA ASN 53 1.204 11.510 4.609 437 HB2 ASN 53 2HB ASN 53 -1.602 12.274 3.758 438 HB3 ASN 53 1HB ASN 53 -0.117 13.209 3.586 439 HD21 ASN 53 1HD2 ASN 53 0.774 13.155 1.532 440 HD22 ASN 53 2HD2 ASN 53 0.555 11.903 0.405 441 HA PRO 54 HA PRO 54 -0.519 12.652 8.517 442 HB2 PRO 54 2HB PRO 54 -2.189 14.829 8.512 443 HB3 PRO 54 1HB PRO 54 -0.423 14.939 8.380 444 HG2 PRO 54 2HG PRO 54 -2.494 15.101 6.256 445 HG3 PRO 54 1HG PRO 54 -0.988 16.013 6.439 446 HD2 PRO 54 2HD PRO 54 -1.283 13.944 4.727 447 HD3 PRO 54 1HD PRO 54 0.279 14.372 5.455 448 H ASN 55 H ASN 55 -3.221 12.712 6.183 449 HA ASN 55 HA ASN 55 -4.669 10.774 7.851 450 HB2 ASN 55 2HB ASN 55 -5.249 12.742 9.045 451 HB3 ASN 55 1HB ASN 55 -5.440 13.673 7.559 452 HD21 ASN 55 1HD2 ASN 55 -7.646 14.142 7.380 453 HD22 ASN 55 2HD2 ASN 55 -8.895 13.011 7.586 454 H LEU 56 H LEU 56 -4.272 9.766 5.595 455 HA LEU 56 HA LEU 56 -5.754 10.803 3.315 456 HB2 LEU 56 2HB LEU 56 -4.494 8.136 4.012 457 HB3 LEU 56 1HB LEU 56 -5.138 8.535 2.418 458 HG LEU 56 HG LEU 56 -2.802 9.798 3.853 459 HD11 LEU 56 1HD1 LEU 56 -3.185 7.859 1.784 460 HD12 LEU 56 2HD1 LEU 56 -1.668 8.453 2.463 461 HD13 LEU 56 3HD1 LEU 56 -2.401 9.277 1.087 462 HD21 LEU 56 3HD2 LEU 56 -4.111 11.654 2.993 463 HD22 LEU 56 1HD2 LEU 56 -4.357 10.825 1.456 464 HD23 LEU 56 2HD2 LEU 56 -2.750 11.398 1.901 465 H ASP 57 H ASP 57 -7.009 8.493 2.374 466 HA ASP 57 HA ASP 57 -8.858 7.365 4.311 467 HB2 ASP 57 2HB ASP 57 -9.391 9.932 3.854 468 HB3 ASP 57 1HB ASP 57 -10.194 9.270 2.432 469 H GLN 58 H GLN 58 -11.050 6.899 2.701 470 HA GLN 58 HA GLN 58 -10.196 4.774 1.018 471 HB2 GLN 58 2HB GLN 58 -12.818 6.292 1.075 472 HB3 GLN 58 1HB GLN 58 -12.581 4.648 0.482 473 HG2 GLN 58 2HG GLN 58 -11.507 4.932 3.160 474 HG3 GLN 58 1HG GLN 58 -13.205 5.408 3.115 475 HE21 GLN 58 1HE2 GLN 58 -11.503 2.787 3.882 476 HE22 GLN 58 2HE2 GLN 58 -12.486 1.552 3.253 477 H SER 59 H SER 59 -11.007 8.149 0.307 478 HA SER 59 HA SER 59 -11.214 7.879 -2.527 479 HB2 SER 59 2HB SER 59 -11.495 9.845 -0.555 480 HB3 SER 59 1HB SER 59 -10.195 10.437 -1.584 481 HG SER 59 HG SER 59 -12.818 9.657 -2.332 482 H GLN 60 H GLN 60 -8.505 8.463 -0.342 483 HA GLN 60 HA GLN 60 -6.567 9.038 -2.427 484 HB2 GLN 60 2HB GLN 60 -6.351 8.137 0.466 485 HB3 GLN 60 1HB GLN 60 -5.004 8.743 -0.493 486 HG2 GLN 60 2HG GLN 60 -7.442 10.440 -0.430 487 HG3 GLN 60 1HG GLN 60 -6.510 10.350 1.064 488 HE21 GLN 60 1HE2 GLN 60 -6.090 12.744 0.473 489 HE22 GLN 60 2HE2 GLN 60 -4.781 13.070 -0.558 490 H LEU 61 H LEU 61 -7.407 6.134 -0.525 491 HA LEU 61 HA LEU 61 -5.400 4.424 -1.662 492 HB2 LEU 61 2HB LEU 61 -8.120 3.935 -0.426 493 HB3 LEU 61 1HB LEU 61 -7.003 2.638 -0.858 494 HG LEU 61 HG LEU 61 -5.621 4.691 0.640 495 HD11 LEU 61 1HD1 LEU 61 -7.340 3.419 2.591 496 HD12 LEU 61 2HD1 LEU 61 -8.303 4.355 1.446 497 HD13 LEU 61 3HD1 LEU 61 -7.011 5.136 2.356 498 HD21 LEU 61 3HD2 LEU 61 -5.929 1.787 0.500 499 HD22 LEU 61 1HD2 LEU 61 -5.754 2.360 2.158 500 HD23 LEU 61 2HD2 LEU 61 -4.519 2.741 0.959 501 H ALA 62 H ALA 62 -8.676 5.314 -2.667 502 HA ALA 62 HA ALA 62 -9.195 3.371 -4.609 503 HB1 ALA 62 1HB ALA 62 -9.792 6.214 -5.262 504 HB2 ALA 62 2HB ALA 62 -10.386 5.631 -3.708 505 HB3 ALA 62 3HB ALA 62 -10.883 4.830 -5.198 506 H LEU 63 H LEU 63 -7.076 6.191 -4.714 507 HA LEU 63 HA LEU 63 -6.504 6.141 -7.502 508 HB2 LEU 63 2HB LEU 63 -5.216 7.138 -4.977 509 HB3 LEU 63 1HB LEU 63 -4.315 7.221 -6.483 510 HG LEU 63 HG LEU 63 -7.085 8.379 -6.089 511 HD11 LEU 63 1HD1 LEU 63 -4.599 9.333 -5.142 512 HD12 LEU 63 2HD1 LEU 63 -6.119 10.225 -5.228 513 HD13 LEU 63 3HD1 LEU 63 -4.976 10.299 -6.568 514 HD21 LEU 63 3HD2 LEU 63 -7.005 9.012 -8.288 515 HD22 LEU 63 1HD2 LEU 63 -5.890 7.654 -8.425 516 HD23 LEU 63 2HD2 LEU 63 -5.265 9.294 -8.247 517 H GLU 64 H GLU 64 -4.770 4.769 -4.694 518 HA GLU 64 HA GLU 64 -2.874 3.296 -6.332 519 HB2 GLU 64 2HB GLU 64 -3.732 2.809 -3.461 520 HB3 GLU 64 1HB GLU 64 -2.176 2.411 -4.189 521 HG2 GLU 64 2HG GLU 64 -1.381 4.506 -3.882 522 HG3 GLU 64 1HG GLU 64 -2.868 5.243 -4.482 523 H LYS 65 H LYS 65 -5.861 2.467 -4.569 524 HA LYS 65 HA LYS 65 -5.854 -0.331 -5.141 525 HB2 LYS 65 2HB LYS 65 -7.563 1.690 -3.993 526 HB3 LYS 65 1HB LYS 65 -8.520 0.640 -5.034 527 HG2 LYS 65 2HG LYS 65 -8.288 -0.137 -2.622 528 HG3 LYS 65 1HG LYS 65 -7.827 -1.321 -3.846 529 HD2 LYS 65 2HD LYS 65 -5.576 0.373 -3.156 530 HD3 LYS 65 1HD LYS 65 -6.240 -0.403 -1.718 531 HE2 LYS 65 2HE LYS 65 -5.901 -2.105 -4.156 532 HE3 LYS 65 1HE LYS 65 -4.443 -1.665 -3.244 533 HZ1 LYS 65 3HZ LYS 65 -6.095 -2.214 -1.250 534 HZ2 LYS 65 1HZ LYS 65 -5.099 -3.390 -1.957 535 HZ3 LYS 65 2HZ LYS 65 -6.730 -3.273 -2.419 536 H GLU 66 H GLU 66 -7.043 2.458 -7.039 537 HA GLU 66 HA GLU 66 -8.475 0.922 -8.972 538 HB2 GLU 66 2HB GLU 66 -7.248 3.644 -8.750 539 HB3 GLU 66 1HB GLU 66 -7.805 3.108 -10.336 540 HG2 GLU 66 2HG GLU 66 -9.528 3.008 -7.846 541 HG3 GLU 66 1HG GLU 66 -9.541 4.357 -8.983 542 H ILE 67 H ILE 67 -5.161 2.245 -8.987 543 HA ILE 67 HA ILE 67 -4.449 0.908 -11.478 544 HB ILE 67 HB ILE 67 -2.584 2.096 -9.427 545 HG12 ILE 67 2HG1 ILE 67 -4.451 3.529 -11.339 546 HG13 ILE 67 1HG1 ILE 67 -4.363 3.727 -9.594 547 HG21 ILE 67 1HG2 ILE 67 -1.434 2.837 -11.523 548 HG22 ILE 67 2HG2 ILE 67 -2.652 1.967 -12.452 549 HG23 ILE 67 3HG2 ILE 67 -1.561 1.085 -11.387 550 HD11 ILE 67 3HD1 ILE 67 -3.160 5.571 -10.464 551 HD12 ILE 67 1HD1 ILE 67 -2.330 4.564 -11.652 552 HD13 ILE 67 2HD1 ILE 67 -1.930 4.420 -9.940 553 H ILE 68 H ILE 68 -3.739 0.389 -8.011 554 HA ILE 68 HA ILE 68 -1.855 -1.710 -8.300 555 HB ILE 68 HB ILE 68 -3.920 -0.988 -6.210 556 HG12 ILE 68 2HG1 ILE 68 -0.891 -0.769 -6.297 557 HG13 ILE 68 1HG1 ILE 68 -2.013 0.561 -6.585 558 HG21 ILE 68 1HG2 ILE 68 -3.454 -3.417 -6.072 559 HG22 ILE 68 2HG2 ILE 68 -2.782 -2.551 -4.692 560 HG23 ILE 68 3HG2 ILE 68 -1.726 -3.072 -6.004 561 HD11 ILE 68 3HD1 ILE 68 -2.050 -1.063 -4.035 562 HD12 ILE 68 1HD1 ILE 68 -2.827 0.490 -4.341 563 HD13 ILE 68 2HD1 ILE 68 -1.070 0.393 -4.215 564 H GLN 69 H GLN 69 -5.410 -1.920 -7.876 565 HA GLN 69 HA GLN 69 -5.612 -4.752 -8.027 566 HB2 GLN 69 2HB GLN 69 -7.402 -2.410 -8.679 567 HB3 GLN 69 1HB GLN 69 -7.964 -4.063 -8.931 568 HG2 GLN 69 2HG GLN 69 -6.927 -4.286 -6.430 569 HG3 GLN 69 1HG GLN 69 -7.463 -2.605 -6.401 570 HE21 GLN 69 1HE2 GLN 69 -8.883 -4.207 -4.724 571 HE22 GLN 69 2HE2 GLN 69 -10.405 -4.593 -5.367 572 H ARG 70 H ARG 70 -5.885 -2.300 -10.628 573 HA ARG 70 HA ARG 70 -6.209 -4.155 -12.760 574 HB2 ARG 70 2HB ARG 70 -5.886 -1.314 -12.293 575 HB3 ARG 70 1HB ARG 70 -4.994 -1.813 -13.731 576 HG2 ARG 70 2HG ARG 70 -7.421 -3.186 -13.917 577 HG3 ARG 70 1HG ARG 70 -7.871 -1.581 -13.340 578 HD2 ARG 70 2HD ARG 70 -6.257 -0.717 -15.213 579 HD3 ARG 70 1HD ARG 70 -6.476 -2.338 -15.902 580 HE ARG 70 HE ARG 70 -8.541 -0.273 -15.711 581 HH11 ARG 70 1HH2 ARG 70 -8.314 -2.159 -18.006 582 HH12 ARG 70 2HH2 ARG 70 -9.627 -3.251 -17.724 583 HH21 ARG 70 1HH1 ARG 70 -10.036 -2.322 -14.408 584 HH22 ARG 70 2HH1 ARG 70 -10.603 -3.343 -15.687 585 H ALA 71 H ALA 71 -3.274 -2.432 -11.576 586 HA ALA 71 HA ALA 71 -1.501 -3.583 -13.487 587 HB1 ALA 71 1HB ALA 71 -1.400 -1.637 -11.609 588 HB2 ALA 71 2HB ALA 71 0.047 -2.338 -12.333 589 HB3 ALA 71 3HB ALA 71 -0.520 -2.913 -10.765 590 H LEU 72 H LEU 72 -2.215 -4.506 -10.112 591 HA LEU 72 HA LEU 72 -0.507 -6.788 -10.047 592 HB2 LEU 72 2HB LEU 72 -2.956 -5.886 -8.523 593 HB3 LEU 72 1HB LEU 72 -2.088 -7.362 -8.097 594 HG LEU 72 HG LEU 72 -0.920 -4.566 -8.201 595 HD11 LEU 72 1HD1 LEU 72 -0.774 -4.722 -5.819 596 HD12 LEU 72 2HD1 LEU 72 -1.194 -6.435 -5.836 597 HD13 LEU 72 3HD1 LEU 72 -2.412 -5.224 -6.235 598 HD21 LEU 72 3HD2 LEU 72 1.067 -5.596 -8.474 599 HD22 LEU 72 1HD2 LEU 72 0.301 -7.183 -8.402 600 HD23 LEU 72 2HD2 LEU 72 0.817 -6.384 -6.916 601 H GLU 73 H GLU 73 -3.867 -6.339 -11.020 602 HA GLU 73 HA GLU 73 -4.541 -9.113 -11.265 603 HB2 GLU 73 2HB GLU 73 -5.639 -6.468 -12.173 604 HB3 GLU 73 1HB GLU 73 -6.341 -7.948 -12.810 605 HG2 GLU 73 2HG GLU 73 -5.977 -8.167 -9.947 606 HG3 GLU 73 1HG GLU 73 -6.936 -6.740 -10.341 607 H ASN 74 H ASN 74 -3.514 -6.612 -13.584 608 HA ASN 74 HA ASN 74 -3.552 -8.261 -15.900 609 HB2 ASN 74 2HB ASN 74 -2.898 -5.611 -15.135 610 HB3 ASN 74 1HB ASN 74 -1.465 -6.260 -15.935 611 HD21 ASN 74 1HD2 ASN 74 -4.762 -5.197 -16.439 612 HD22 ASN 74 2HD2 ASN 74 -4.792 -5.445 -18.118 613 H TYR 75 H TYR 75 -1.139 -7.635 -13.385 614 HA TYR 75 HA TYR 75 0.998 -9.114 -14.682 615 HB2 TYR 75 2HB TYR 75 0.681 -7.292 -12.672 616 HB3 TYR 75 1HB TYR 75 0.952 -8.769 -11.758 617 HD1 TYR 75 2HD TYR 75 3.057 -10.054 -12.033 618 HD2 TYR 75 1HD TYR 75 2.373 -6.352 -14.089 619 HE1 TYR 75 2HE TYR 75 5.476 -9.911 -12.571 620 HE2 TYR 75 1HE TYR 75 4.792 -6.203 -14.631 621 HH TYR 75 HH TYR 75 7.130 -8.223 -13.154 622 H GLY 76 H GLY 76 -1.436 -9.876 -12.193 623 HA2 GLY 76 2HA GLY 76 -2.324 -12.196 -12.192 624 HA3 GLY 76 1HA GLY 76 -0.666 -12.718 -12.452 625 H ALA 77 H ALA 77 -1.163 -10.069 -10.292 626 HA ALA 77 HA ALA 77 -0.370 -11.827 -8.009 627 HB1 ALA 77 1HB ALA 77 -0.453 -8.838 -7.883 628 HB2 ALA 77 2HB ALA 77 0.751 -9.579 -8.938 629 HB3 ALA 77 3HB ALA 77 0.740 -9.951 -7.214 630 H ARG 78 H ARG 78 -1.964 -12.354 -6.558 631 HA ARG 78 HA ARG 78 -4.354 -10.542 -6.386 632 HB2 ARG 78 2HB ARG 78 -4.584 -12.851 -7.432 633 HB3 ARG 78 1HB ARG 78 -4.206 -13.519 -5.843 634 HG2 ARG 78 2HG ARG 78 -6.133 -11.776 -5.127 635 HG3 ARG 78 1HG ARG 78 -6.664 -12.125 -6.772 636 HD2 ARG 78 2HD ARG 78 -6.365 -14.619 -6.152 637 HD3 ARG 78 1HD ARG 78 -6.319 -14.055 -4.469 638 HE ARG 78 HE ARG 78 -8.517 -12.766 -5.290 639 HH11 ARG 78 1HH1 ARG 78 -8.190 -14.918 -7.602 640 HH12 ARG 78 2HH1 ARG 78 -9.441 -16.016 -7.125 641 HH21 ARG 78 1HH2 ARG 78 -9.820 -14.630 -3.968 642 HH22 ARG 78 2HH2 ARG 78 -10.364 -15.853 -5.068 643 H VAL 79 H VAL 79 -4.504 -9.550 -4.401 644 HA VAL 79 HA VAL 79 -2.881 -10.461 -2.149 645 HB VAL 79 HB VAL 79 -5.054 -8.374 -2.068 646 HG11 VAL 79 1HG1 VAL 79 -2.272 -8.112 -0.983 647 HG12 VAL 79 2HG1 VAL 79 -3.435 -9.129 -0.135 648 HG13 VAL 79 3HG1 VAL 79 -3.775 -7.416 -0.380 649 HG21 VAL 79 3HG2 VAL 79 -3.107 -6.815 -2.887 650 HG22 VAL 79 1HG2 VAL 79 -4.049 -7.704 -4.085 651 HG23 VAL 79 2HG2 VAL 79 -2.459 -8.292 -3.598 652 H GLU 80 H GLU 80 -3.613 -11.841 -0.573 653 HA GLU 80 HA GLU 80 -6.366 -12.856 -0.692 654 HB2 GLU 80 2HB GLU 80 -5.073 -14.612 -0.025 655 HB3 GLU 80 1HB GLU 80 -3.745 -13.545 0.424 656 HG2 GLU 80 2HG GLU 80 -4.623 -13.203 2.611 657 HG3 GLU 80 1HG GLU 80 -6.194 -13.873 2.170 658 H LYS 81 H LYS 81 -4.618 -10.393 0.939 659 HA LYS 81 HA LYS 81 -6.887 -9.939 2.835 660 HB2 LYS 81 2HB LYS 81 -5.160 -9.320 4.426 661 HB3 LYS 81 1HB LYS 81 -4.726 -10.880 3.727 662 HG2 LYS 81 2HG LYS 81 -2.719 -9.872 3.340 663 HG3 LYS 81 1HG LYS 81 -3.556 -9.206 1.933 664 HD2 LYS 81 2HD LYS 81 -2.918 -7.202 2.819 665 HD3 LYS 81 1HD LYS 81 -4.317 -7.436 3.867 666 HE2 LYS 81 2HE LYS 81 -1.981 -8.861 4.885 667 HE3 LYS 81 1HE LYS 81 -1.675 -7.120 4.727 668 HZ1 LYS 81 3HZ LYS 81 -2.769 -7.175 6.726 669 HZ2 LYS 81 1HZ LYS 81 -3.730 -8.506 6.303 670 HZ3 LYS 81 2HZ LYS 81 -4.087 -6.969 5.674 671 H VAL 82 H VAL 82 -7.780 -7.877 2.550 672 HA VAL 82 HA VAL 82 -6.001 -5.723 1.494 673 HB VAL 82 HB VAL 82 -8.605 -6.763 0.368 674 HG11 VAL 82 1HG1 VAL 82 -7.398 -4.021 0.199 675 HG12 VAL 82 2HG1 VAL 82 -9.095 -4.488 0.310 676 HG13 VAL 82 3HG1 VAL 82 -8.225 -4.681 -1.212 677 HG21 VAL 82 3HG2 VAL 82 -5.966 -6.044 -0.946 678 HG22 VAL 82 1HG2 VAL 82 -7.328 -6.876 -1.697 679 HG23 VAL 82 2HG2 VAL 82 -6.399 -7.673 -0.427 680 H GLU 83 H GLU 83 -6.098 -4.365 3.295 681 HA GLU 83 HA GLU 83 -8.842 -3.507 4.149 682 HB2 GLU 83 2HB GLU 83 -6.774 -4.855 5.611 683 HB3 GLU 83 1HB GLU 83 -6.972 -3.237 6.288 684 HG2 GLU 83 2HG GLU 83 -8.771 -4.036 7.394 685 HG3 GLU 83 1HG GLU 83 -9.586 -4.114 5.832 686 H GLU 84 H GLU 84 -8.911 -1.446 3.241 687 HA GLU 84 HA GLU 84 -6.523 0.278 3.447 688 HB2 GLU 84 2HB GLU 84 -7.931 1.705 1.867 689 HB3 GLU 84 1HB GLU 84 -7.470 0.120 1.247 690 HG2 GLU 84 2HG GLU 84 -9.611 -0.685 1.323 691 HG3 GLU 84 1HG GLU 84 -10.014 0.233 2.775 692 H LEU 85 H LEU 85 -6.709 0.833 5.705 693 HA LEU 85 HA LEU 85 -9.220 2.182 6.560 694 HB2 LEU 85 2HB LEU 85 -6.688 1.301 7.988 695 HB3 LEU 85 1HB LEU 85 -8.073 2.043 8.793 696 HG LEU 85 HG LEU 85 -9.478 0.175 7.708 697 HD11 LEU 85 1HD1 LEU 85 -7.811 -1.910 7.522 698 HD12 LEU 85 2HD1 LEU 85 -6.686 -0.642 7.039 699 HD13 LEU 85 3HD1 LEU 85 -8.177 -0.890 6.131 700 HD21 LEU 85 3HD2 LEU 85 -8.161 -1.494 9.465 701 HD22 LEU 85 1HD2 LEU 85 -9.378 -0.303 9.928 702 HD23 LEU 85 2HD2 LEU 85 -7.665 0.104 10.026 703 H GLY 86 H GLY 86 -5.949 2.979 7.624 704 HA2 GLY 86 2HA GLY 86 -4.928 5.083 7.843 705 HA3 GLY 86 1HA GLY 86 -5.343 5.245 6.135 706 H LEU 87 H LEU 87 -6.066 6.291 9.326 707 HA LEU 87 HA LEU 87 -7.672 8.467 8.362 708 HB2 LEU 87 2HB LEU 87 -9.044 6.165 8.459 709 HB3 LEU 87 1HB LEU 87 -9.217 6.640 10.149 710 HG LEU 87 HG LEU 87 -11.077 7.483 8.706 711 HD11 LEU 87 1HD1 LEU 87 -10.127 8.670 10.794 712 HD12 LEU 87 2HD1 LEU 87 -11.146 9.623 9.714 713 HD13 LEU 87 3HD1 LEU 87 -9.392 9.799 9.655 714 HD21 LEU 87 3HD2 LEU 87 -9.600 9.659 7.508 715 HD22 LEU 87 1HD2 LEU 87 -10.634 8.463 6.724 716 HD23 LEU 87 2HD2 LEU 87 -8.924 8.118 6.983 717 H ARG 88 H ARG 88 -5.383 8.421 9.921 718 HA ARG 88 HA ARG 88 -6.367 9.062 12.645 719 HB2 ARG 88 2HB ARG 88 -4.520 7.226 11.894 720 HB3 ARG 88 1HB ARG 88 -3.481 8.631 12.136 721 HG2 ARG 88 2HG ARG 88 -4.400 8.935 14.400 722 HG3 ARG 88 1HG ARG 88 -5.460 7.545 14.162 723 HD2 ARG 88 2HD ARG 88 -3.606 6.023 14.072 724 HD3 ARG 88 1HD ARG 88 -2.439 7.355 13.943 725 HE ARG 88 HE ARG 88 -3.723 7.971 16.274 726 HH11 ARG 88 1HH2 ARG 88 -1.884 5.350 15.041 727 HH12 ARG 88 2HH2 ARG 88 -1.678 4.586 16.582 728 HH21 ARG 88 1HH1 ARG 88 -3.664 6.866 18.277 729 HH22 ARG 88 2HH1 ARG 88 -2.685 5.443 18.413 730 H ARG 89 H ARG 89 -5.285 10.931 13.701 731 HA ARG 89 HA ARG 89 -3.943 12.826 11.828 732 HB2 ARG 89 2HB ARG 89 -6.547 13.144 13.302 733 HB3 ARG 89 1HB ARG 89 -5.570 14.562 12.921 734 HG2 ARG 89 2HG ARG 89 -5.555 13.877 10.528 735 HG3 ARG 89 1HG ARG 89 -6.609 12.522 10.933 736 HD2 ARG 89 2HD ARG 89 -7.618 15.078 11.967 737 HD3 ARG 89 1HD ARG 89 -7.496 15.039 10.197 738 HE ARG 89 HE ARG 89 -8.586 12.559 11.168 739 HH11 ARG 89 1HH2 ARG 89 -9.231 15.549 9.715 740 HH12 ARG 89 2HH2 ARG 89 -10.953 15.439 9.876 741 HH21 ARG 89 1HH1 ARG 89 -10.855 12.542 11.779 742 HH22 ARG 89 2HH1 ARG 89 -11.871 13.736 11.045 743 H LEU 90 H LEU 90 -2.030 13.129 12.917 744 HA LEU 90 HA LEU 90 -1.941 14.544 15.414 745 HB2 LEU 90 2HB LEU 90 -2.755 12.249 16.110 746 HB3 LEU 90 1HB LEU 90 -1.208 11.606 15.558 747 HG LEU 90 HG LEU 90 -0.115 13.342 17.096 748 HD11 LEU 90 1HD1 LEU 90 -2.870 14.030 17.431 749 HD12 LEU 90 2HD1 LEU 90 -1.462 14.781 18.180 750 HD13 LEU 90 3HD1 LEU 90 -2.267 13.428 18.975 751 HD21 LEU 90 3HD2 LEU 90 0.194 11.425 18.243 752 HD22 LEU 90 1HD2 LEU 90 -1.337 10.775 17.658 753 HD23 LEU 90 2HD2 LEU 90 -1.301 11.772 19.113 754 H ALA 91 H ALA 91 -0.454 15.626 13.834 755 HA ALA 91 HA ALA 91 2.310 14.663 14.184 756 HB1 ALA 91 1HB ALA 91 2.113 15.152 11.416 757 HB2 ALA 91 2HB ALA 91 0.704 14.171 11.817 758 HB3 ALA 91 3HB ALA 91 2.324 13.585 12.195 759 H TYR 92 H TYR 92 3.594 16.294 12.385 760 HA TYR 92 HA TYR 92 3.288 18.923 13.564 761 HB2 TYR 92 2HB TYR 92 4.925 17.628 11.396 762 HB3 TYR 92 1HB TYR 92 4.988 19.377 11.614 763 HD1 TYR 92 2HD TYR 92 5.636 20.323 13.866 764 HD2 TYR 92 1HD TYR 92 6.029 16.153 12.910 765 HE1 TYR 92 2HE TYR 92 7.184 20.030 15.781 766 HE2 TYR 92 1HE TYR 92 7.579 15.860 14.824 767 HH TYR 92 HH TYR 92 9.239 17.877 16.168 768 HA PRO 93 HA PRO 93 0.240 20.462 10.770 769 HB2 PRO 93 2HB PRO 93 0.581 23.130 11.284 770 HB3 PRO 93 1HB PRO 93 -0.243 22.028 12.404 771 HG2 PRO 93 2HG PRO 93 2.535 23.086 12.493 772 HG3 PRO 93 1HG PRO 93 1.395 22.794 13.815 773 HD2 PRO 93 2HD PRO 93 3.465 21.120 13.201 774 HD3 PRO 93 1HD PRO 93 1.966 20.586 13.992 775 H ILE 94 H ILE 94 1.289 19.908 8.757 776 HA ILE 94 HA ILE 94 3.258 21.872 7.676 777 HB ILE 94 HB ILE 94 2.405 19.044 7.060 778 HG12 ILE 94 2HG1 ILE 94 4.200 19.604 8.750 779 HG13 ILE 94 1HG1 ILE 94 4.748 18.577 7.424 780 HG21 ILE 94 1HG2 ILE 94 4.120 20.829 5.302 781 HG22 ILE 94 2HG2 ILE 94 2.511 20.235 4.895 782 HG23 ILE 94 3HG2 ILE 94 3.852 19.102 5.060 783 HD11 ILE 94 3HD1 ILE 94 6.054 20.825 8.186 784 HD12 ILE 94 1HD1 ILE 94 4.970 21.501 6.971 785 HD13 ILE 94 2HD1 ILE 94 6.085 20.206 6.536 786 H ALA 95 H ALA 95 2.385 23.493 6.447 787 HA ALA 95 HA ALA 95 -0.305 23.177 5.259 788 HB1 ALA 95 1HB ALA 95 0.946 25.214 6.498 789 HB2 ALA 95 2HB ALA 95 -0.296 25.487 5.275 790 HB3 ALA 95 3HB ALA 95 1.410 25.584 4.837 791 H LYS 96 H LYS 96 2.941 22.710 4.310 792 HA LYS 96 HA LYS 96 2.188 22.087 1.574 793 HB2 LYS 96 2HB LYS 96 2.435 24.734 2.030 794 HB3 LYS 96 1HB LYS 96 4.124 24.351 1.702 795 HG2 LYS 96 2HG LYS 96 2.985 22.988 -0.321 796 HG3 LYS 96 1HG LYS 96 1.774 24.253 -0.120 797 HD2 LYS 96 2HD LYS 96 4.323 25.505 0.033 798 HD3 LYS 96 1HD LYS 96 4.349 24.438 -1.372 799 HE2 LYS 96 2HE LYS 96 2.248 25.459 -2.194 800 HE3 LYS 96 1HE LYS 96 2.233 26.542 -0.788 801 HZ1 LYS 96 3HZ LYS 96 4.617 26.313 -2.519 802 HZ2 LYS 96 1HZ LYS 96 4.201 27.563 -1.450 803 HZ3 LYS 96 2HZ LYS 96 3.355 27.382 -2.913 Start of MODEL 11 1 H1 MET 1 1HT MET 1 1.072 9.063 8.456 2 H2 MET 1 2HT MET 1 2.111 9.362 7.145 3 H3 MET 1 3HT MET 1 1.664 10.629 8.185 4 HA MET 1 HA MET 1 3.946 9.151 8.391 5 HB2 MET 1 2HB MET 1 2.290 10.923 10.189 6 HB3 MET 1 1HB MET 1 3.857 10.318 10.726 7 HG2 MET 1 2HG MET 1 4.870 11.247 8.629 8 HG3 MET 1 1HG MET 1 3.310 11.975 8.251 9 HE1 MET 1 2HE MET 1 2.980 14.549 8.850 10 HE2 MET 1 3HE MET 1 4.398 14.038 7.937 11 HE3 MET 1 1HE MET 1 4.553 15.257 9.208 12 H ASP 2 H ASP 2 4.157 8.584 11.196 13 HA ASP 2 HA ASP 2 3.212 5.844 11.236 14 HB2 ASP 2 2HB ASP 2 5.348 6.604 12.201 15 HB3 ASP 2 1HB ASP 2 4.472 7.618 13.350 16 HA PRO 3 HA PRO 3 0.153 7.485 14.433 17 HB2 PRO 3 2HB PRO 3 -0.074 10.182 14.809 18 HB3 PRO 3 1HB PRO 3 1.141 9.196 15.645 19 HG2 PRO 3 2HG PRO 3 1.493 11.155 13.512 20 HG3 PRO 3 1HG PRO 3 2.688 10.466 14.617 21 HD2 PRO 3 2HD PRO 3 2.145 9.749 11.869 22 HD3 PRO 3 1HD PRO 3 3.432 9.147 12.942 23 H GLN 4 H GLN 4 0.284 8.069 11.286 24 HA GLN 4 HA GLN 4 -2.571 8.353 10.942 25 HB2 GLN 4 2HB GLN 4 -2.436 10.651 9.915 26 HB3 GLN 4 1HB GLN 4 -2.106 10.624 11.648 27 HG2 GLN 4 2HG GLN 4 0.332 10.550 11.152 28 HG3 GLN 4 1HG GLN 4 -0.037 10.677 9.432 29 HE21 GLN 4 1HE2 GLN 4 -2.292 12.547 9.790 30 HE22 GLN 4 2HE2 GLN 4 -1.617 14.038 10.243 31 H GLY 5 H GLY 5 -3.154 8.239 8.654 32 HA2 GLY 5 2HA GLY 5 -2.734 7.952 6.334 33 HA3 GLY 5 1HA GLY 5 -1.014 8.158 6.648 34 H TYR 6 H TYR 6 -0.249 6.177 8.249 35 HA TYR 6 HA TYR 6 -0.315 3.851 6.593 36 HB2 TYR 6 2HB TYR 6 1.111 2.945 8.243 37 HB3 TYR 6 1HB TYR 6 1.379 4.680 8.360 38 HD1 TYR 6 2HD TYR 6 -0.907 5.664 9.873 39 HD2 TYR 6 1HD TYR 6 1.325 2.028 10.371 40 HE1 TYR 6 2HE TYR 6 -1.561 5.591 12.261 41 HE2 TYR 6 1HE TYR 6 0.667 1.955 12.760 42 HH TYR 6 HH TYR 6 -1.791 3.925 14.050 43 H PHE 7 H PHE 7 -2.380 3.027 6.229 44 HA PHE 7 HA PHE 7 -3.645 1.583 8.416 45 HB2 PHE 7 2HB PHE 7 -4.584 3.879 8.448 46 HB3 PHE 7 1HB PHE 7 -5.049 3.689 6.757 47 HD1 PHE 7 2HD PHE 7 -5.258 1.386 9.715 48 HD2 PHE 7 1HD PHE 7 -7.368 3.481 6.613 49 HE1 PHE 7 2HE PHE 7 -7.372 0.292 10.412 50 HE2 PHE 7 1HE PHE 7 -9.481 2.387 7.312 51 HZ PHE 7 HZ PHE 7 -9.484 0.793 9.210 52 H LEU 8 H LEU 8 -2.255 0.777 5.960 53 HA LEU 8 HA LEU 8 -4.463 -0.706 4.686 54 HB2 LEU 8 2HB LEU 8 -2.319 0.291 2.897 55 HB3 LEU 8 1HB LEU 8 -4.042 0.133 2.585 56 HG LEU 8 HG LEU 8 -2.932 2.267 4.430 57 HD11 LEU 8 1HD1 LEU 8 -2.287 3.526 2.681 58 HD12 LEU 8 2HD1 LEU 8 -3.789 3.198 1.816 59 HD13 LEU 8 3HD1 LEU 8 -2.433 2.078 1.684 60 HD21 LEU 8 3HD2 LEU 8 -5.563 1.430 3.467 61 HD22 LEU 8 1HD2 LEU 8 -5.241 3.129 3.122 62 HD23 LEU 8 2HD2 LEU 8 -5.156 2.537 4.778 63 H TRP 9 H TRP 9 -3.949 -2.862 4.659 64 HA TRP 9 HA TRP 9 -1.047 -3.603 4.470 65 HB2 TRP 9 2HB TRP 9 -2.117 -3.837 6.761 66 HB3 TRP 9 1HB TRP 9 -3.195 -5.043 6.057 67 HD1 TRP 9 HD TRP 9 -0.202 -5.548 4.204 68 HE1 TRP 9 1HE TRP 9 1.292 -7.392 5.207 69 HE3 TRP 9 3HE TRP 9 -2.282 -5.938 8.854 70 HZ2 TRP 9 2HZ TRP 9 1.570 -8.841 7.653 71 HZ3 TRP 9 3HZ TRP 9 -1.380 -7.560 10.499 72 HH2 TRP 9 HH TRP 9 0.540 -9.010 9.903 73 H TYR 10 H TYR 10 -0.738 -4.725 2.590 74 HA TYR 10 HA TYR 10 -2.962 -6.488 1.610 75 HB2 TYR 10 2HB TYR 10 -1.028 -4.700 0.106 76 HB3 TYR 10 1HB TYR 10 -2.136 -5.826 -0.674 77 HD1 TYR 10 2HD TYR 10 -4.662 -5.618 0.007 78 HD2 TYR 10 1HD TYR 10 -1.737 -2.524 0.577 79 HE1 TYR 10 2HE TYR 10 -6.475 -3.930 0.147 80 HE2 TYR 10 1HE TYR 10 -3.549 -0.837 0.717 81 HH TYR 10 HH TYR 10 -5.840 -0.633 1.098 82 H GLN 11 H GLN 11 -2.346 -8.557 1.035 83 HA GLN 11 HA GLN 11 0.549 -9.199 1.027 84 HB2 GLN 11 2HB GLN 11 -1.202 -10.000 2.885 85 HB3 GLN 11 1HB GLN 11 -1.520 -11.244 1.675 86 HG2 GLN 11 2HG GLN 11 0.250 -12.325 2.594 87 HG3 GLN 11 1HG GLN 11 1.230 -11.162 1.700 88 HE21 GLN 11 1HE2 GLN 11 2.623 -11.826 3.803 89 HE22 GLN 11 2HE2 GLN 11 2.460 -10.761 5.115 90 H VAL 12 H VAL 12 1.091 -11.059 -0.437 91 HA VAL 12 HA VAL 12 -0.919 -11.392 -2.636 92 HB VAL 12 HB VAL 12 0.954 -11.172 -4.210 93 HG11 VAL 12 1HG1 VAL 12 1.465 -8.799 -3.817 94 HG12 VAL 12 2HG1 VAL 12 0.911 -8.953 -2.150 95 HG13 VAL 12 3HG1 VAL 12 -0.233 -9.138 -3.480 96 HG21 VAL 12 3HG2 VAL 12 3.196 -10.784 -3.500 97 HG22 VAL 12 1HG2 VAL 12 2.622 -12.117 -2.496 98 HG23 VAL 12 2HG2 VAL 12 2.697 -10.483 -1.835 99 H GLU 13 H GLU 13 0.065 -13.218 -4.170 100 HA GLU 13 HA GLU 13 1.223 -15.421 -2.521 101 HB2 GLU 13 2HB GLU 13 -0.578 -16.856 -3.674 102 HB3 GLU 13 1HB GLU 13 -1.120 -15.793 -2.380 103 HG2 GLU 13 2HG GLU 13 -2.431 -14.622 -3.794 104 HG3 GLU 13 1HG GLU 13 -1.109 -14.420 -4.944 105 H MET 14 H MET 14 2.848 -14.158 -4.246 106 HA MET 14 HA MET 14 2.967 -16.002 -6.598 107 HB2 MET 14 2HB MET 14 3.924 -13.775 -7.695 108 HB3 MET 14 1HB MET 14 2.192 -14.080 -7.642 109 HG2 MET 14 2HG MET 14 2.579 -11.813 -6.887 110 HG3 MET 14 1HG MET 14 2.112 -12.772 -5.485 111 HE1 MET 14 3HE MET 14 5.008 -10.668 -7.187 112 HE2 MET 14 1HE MET 14 5.337 -9.964 -5.600 113 HE3 MET 14 2HE MET 14 3.684 -10.043 -6.208 114 HA PRO 15 HA PRO 15 7.161 -16.527 -5.441 115 HB2 PRO 15 2HB PRO 15 8.305 -16.975 -7.876 116 HB3 PRO 15 1HB PRO 15 7.348 -18.167 -7.013 117 HG2 PRO 15 2HG PRO 15 6.593 -16.417 -9.283 118 HG3 PRO 15 1HG PRO 15 6.098 -18.082 -8.943 119 HD2 PRO 15 2HD PRO 15 4.507 -15.907 -8.486 120 HD3 PRO 15 1HD PRO 15 4.378 -17.429 -7.581 121 H GLU 16 H GLU 16 9.393 -16.051 -6.665 122 HA GLU 16 HA GLU 16 9.920 -13.254 -6.383 123 HB2 GLU 16 2HB GLU 16 11.365 -15.453 -6.223 124 HB3 GLU 16 1HB GLU 16 11.614 -15.166 -7.945 125 HG2 GLU 16 2HG GLU 16 12.331 -12.809 -7.348 126 HG3 GLU 16 1HG GLU 16 12.305 -13.304 -5.656 127 H ASP 17 H ASP 17 9.011 -15.327 -9.011 128 HA ASP 17 HA ASP 17 9.900 -13.841 -11.250 129 HB2 ASP 17 2HB ASP 17 9.049 -16.107 -11.380 130 HB3 ASP 17 1HB ASP 17 7.471 -15.589 -10.785 131 H ARG 18 H ARG 18 6.893 -13.559 -9.375 132 HA ARG 18 HA ARG 18 5.927 -11.339 -11.084 133 HB2 ARG 18 2HB ARG 18 4.621 -12.121 -8.510 134 HB3 ARG 18 1HB ARG 18 3.887 -11.759 -10.072 135 HG2 ARG 18 2HG ARG 18 5.078 -13.946 -10.861 136 HG3 ARG 18 1HG ARG 18 5.179 -14.303 -9.136 137 HD2 ARG 18 2HD ARG 18 3.035 -15.062 -9.239 138 HD3 ARG 18 1HD ARG 18 2.518 -13.410 -9.635 139 HE ARG 18 HE ARG 18 3.576 -14.412 -12.014 140 HH11 ARG 18 1HH2 ARG 18 0.730 -13.615 -11.826 141 HH12 ARG 18 2HH2 ARG 18 -0.103 -15.107 -12.110 142 HH21 ARG 18 1HH1 ARG 18 2.681 -17.083 -11.498 143 HH22 ARG 18 2HH1 ARG 18 1.002 -17.071 -11.924 144 H VAL 19 H VAL 19 7.801 -11.756 -8.263 145 HA VAL 19 HA VAL 19 7.214 -9.596 -6.601 146 HB VAL 19 HB VAL 19 9.794 -10.851 -7.540 147 HG11 VAL 19 1HG1 VAL 19 10.367 -8.541 -6.974 148 HG12 VAL 19 2HG1 VAL 19 10.923 -9.613 -5.688 149 HG13 VAL 19 3HG1 VAL 19 9.456 -8.658 -5.469 150 HG21 VAL 19 3HG2 VAL 19 9.759 -11.716 -5.218 151 HG22 VAL 19 1HG2 VAL 19 8.289 -12.149 -6.091 152 HG23 VAL 19 2HG2 VAL 19 8.264 -10.828 -4.920 153 H ASN 20 H ASN 20 8.904 -9.531 -9.733 154 HA ASN 20 HA ASN 20 9.806 -6.862 -9.757 155 HB2 ASN 20 2HB ASN 20 9.113 -8.991 -11.640 156 HB3 ASN 20 1HB ASN 20 8.787 -7.394 -12.314 157 HD21 ASN 20 1HD2 ASN 20 11.401 -9.041 -10.429 158 HD22 ASN 20 2HD2 ASN 20 12.671 -8.283 -11.259 159 H ASP 21 H ASP 21 6.568 -8.191 -10.039 160 HA ASP 21 HA ASP 21 5.166 -5.950 -11.054 161 HB2 ASP 21 2HB ASP 21 4.465 -8.402 -10.544 162 HB3 ASP 21 1HB ASP 21 4.144 -7.814 -8.916 163 H LEU 22 H LEU 22 6.141 -6.846 -7.756 164 HA LEU 22 HA LEU 22 4.803 -4.784 -6.319 165 HB2 LEU 22 2HB LEU 22 7.303 -6.434 -5.972 166 HB3 LEU 22 1HB LEU 22 6.901 -5.190 -4.788 167 HG LEU 22 HG LEU 22 5.998 -7.440 -4.174 168 HD11 LEU 22 1HD1 LEU 22 3.448 -6.225 -4.557 169 HD12 LEU 22 2HD1 LEU 22 4.617 -4.928 -4.306 170 HD13 LEU 22 3HD1 LEU 22 4.447 -6.207 -3.103 171 HD21 LEU 22 3HD2 LEU 22 5.588 -8.188 -6.519 172 HD22 LEU 22 1HD2 LEU 22 4.270 -7.022 -6.635 173 HD23 LEU 22 2HD2 LEU 22 4.159 -8.366 -5.500 174 H ALA 23 H ALA 23 8.000 -4.869 -7.895 175 HA ALA 23 HA ALA 23 8.939 -2.313 -7.163 176 HB1 ALA 23 1HB ALA 23 9.264 -3.596 -9.884 177 HB2 ALA 23 2HB ALA 23 10.053 -4.252 -8.448 178 HB3 ALA 23 3HB ALA 23 10.440 -2.623 -9.001 179 H ARG 24 H ARG 24 7.083 -3.292 -10.055 180 HA ARG 24 HA ARG 24 6.648 -0.656 -11.058 181 HB2 ARG 24 2HB ARG 24 6.150 -3.326 -11.763 182 HB3 ARG 24 1HB ARG 24 4.552 -2.588 -11.650 183 HG2 ARG 24 2HG ARG 24 5.710 -0.634 -13.010 184 HG3 ARG 24 1HG ARG 24 6.820 -1.920 -13.489 185 HD2 ARG 24 2HD ARG 24 4.521 -3.236 -13.906 186 HD3 ARG 24 1HD ARG 24 3.928 -1.580 -14.151 187 HE ARG 24 HE ARG 24 6.069 -2.895 -15.742 188 HH11 ARG 24 1HH2 ARG 24 4.650 0.061 -14.762 189 HH12 ARG 24 2HH2 ARG 24 4.749 0.797 -16.327 190 HH21 ARG 24 1HH1 ARG 24 5.965 -2.056 -17.882 191 HH22 ARG 24 2HH1 ARG 24 5.495 -0.403 -18.095 192 H GLU 25 H GLU 25 4.627 -2.844 -9.085 193 HA GLU 25 HA GLU 25 2.359 -1.205 -8.784 194 HB2 GLU 25 2HB GLU 25 2.756 -3.624 -8.103 195 HB3 GLU 25 1HB GLU 25 3.613 -3.004 -6.693 196 HG2 GLU 25 2HG GLU 25 1.235 -1.554 -6.711 197 HG3 GLU 25 1HG GLU 25 0.741 -3.183 -7.176 198 H LEU 26 H LEU 26 5.278 -1.433 -6.734 199 HA LEU 26 HA LEU 26 4.580 0.595 -4.852 200 HB2 LEU 26 2HB LEU 26 7.221 -0.419 -5.954 201 HB3 LEU 26 1HB LEU 26 7.098 0.640 -4.550 202 HG LEU 26 HG LEU 26 5.658 -2.015 -4.750 203 HD11 LEU 26 1HD1 LEU 26 8.089 -2.390 -4.824 204 HD12 LEU 26 2HD1 LEU 26 7.440 -2.880 -3.260 205 HD13 LEU 26 3HD1 LEU 26 8.302 -1.350 -3.416 206 HD21 LEU 26 3HD2 LEU 26 5.483 0.198 -2.976 207 HD22 LEU 26 1HD2 LEU 26 6.301 -1.095 -2.098 208 HD23 LEU 26 2HD2 LEU 26 4.711 -1.379 -2.807 209 H ARG 27 H ARG 27 6.231 0.733 -7.999 210 HA ARG 27 HA ARG 27 6.833 3.559 -7.910 211 HB2 ARG 27 2HB ARG 27 8.139 2.419 -9.434 212 HB3 ARG 27 1HB ARG 27 6.859 1.271 -9.820 213 HG2 ARG 27 2HG ARG 27 7.433 2.820 -11.713 214 HG3 ARG 27 1HG ARG 27 5.740 2.892 -11.221 215 HD2 ARG 27 2HD ARG 27 5.926 5.078 -10.635 216 HD3 ARG 27 1HD ARG 27 7.402 4.764 -9.701 217 HE ARG 27 HE ARG 27 8.129 4.503 -12.404 218 HH11 ARG 27 1HH1 ARG 27 7.854 6.765 -9.920 219 HH12 ARG 27 2HH1 ARG 27 8.112 8.152 -10.925 220 HH21 ARG 27 1HH2 ARG 27 8.022 6.350 -13.887 221 HH22 ARG 27 2HH2 ARG 27 8.209 7.917 -13.172 222 H ILE 28 H ILE 28 4.136 1.622 -9.198 223 HA ILE 28 HA ILE 28 2.728 3.654 -10.566 224 HB ILE 28 HB ILE 28 2.175 1.018 -9.275 225 HG12 ILE 28 2HG1 ILE 28 2.985 1.122 -11.574 226 HG13 ILE 28 1HG1 ILE 28 1.315 0.550 -11.575 227 HG21 ILE 28 1HG2 ILE 28 0.213 2.260 -8.553 228 HG22 ILE 28 2HG2 ILE 28 -0.249 1.212 -9.893 229 HG23 ILE 28 3HG2 ILE 28 0.003 2.936 -10.166 230 HD11 ILE 28 3HD1 ILE 28 2.439 3.007 -12.704 231 HD12 ILE 28 1HD1 ILE 28 1.028 3.302 -11.689 232 HD13 ILE 28 2HD1 ILE 28 0.911 2.204 -13.065 233 H ARG 29 H ARG 29 2.788 2.680 -7.176 234 HA ARG 29 HA ARG 29 0.673 4.401 -6.250 235 HB2 ARG 29 2HB ARG 29 3.055 3.007 -5.006 236 HB3 ARG 29 1HB ARG 29 1.867 3.882 -4.045 237 HG2 ARG 29 2HG ARG 29 0.091 2.435 -4.773 238 HG3 ARG 29 1HG ARG 29 1.129 1.681 -5.984 239 HD2 ARG 29 2HD ARG 29 1.377 0.093 -4.324 240 HD3 ARG 29 1HD ARG 29 2.614 1.229 -3.750 241 HE ARG 29 HE ARG 29 0.510 2.303 -2.529 242 HH11 ARG 29 1HH1 ARG 29 2.149 -0.518 -2.007 243 HH12 ARG 29 2HH1 ARG 29 0.916 -1.297 -1.073 244 HH21 ARG 29 1HH2 ARG 29 -1.498 1.089 -1.778 245 HH22 ARG 29 2HH2 ARG 29 -1.148 -0.388 -0.943 246 H ASP 30 H ASP 30 1.796 6.255 -7.736 247 HA ASP 30 HA ASP 30 4.081 7.631 -6.601 248 HB2 ASP 30 2HB ASP 30 2.116 7.910 -8.773 249 HB3 ASP 30 1HB ASP 30 2.655 9.456 -8.115 250 H ASN 31 H ASN 31 0.562 7.964 -6.306 251 HA ASN 31 HA ASN 31 0.530 10.403 -4.792 252 HB2 ASN 31 2HB ASN 31 -1.383 9.348 -5.994 253 HB3 ASN 31 1HB ASN 31 -1.381 8.043 -4.807 254 HD21 ASN 31 1HD2 ASN 31 -1.698 8.776 -2.453 255 HD22 ASN 31 2HD2 ASN 31 -2.705 10.113 -2.174 256 H VAL 32 H VAL 32 1.519 7.227 -3.977 257 HA VAL 32 HA VAL 32 0.880 7.345 -1.130 258 HB VAL 32 HB VAL 32 1.252 5.369 -2.861 259 HG11 VAL 32 1HG1 VAL 32 3.410 4.541 -3.086 260 HG12 VAL 32 2HG1 VAL 32 3.969 5.309 -1.600 261 HG13 VAL 32 3HG1 VAL 32 3.737 6.274 -3.056 262 HG21 VAL 32 3HG2 VAL 32 2.492 4.872 -0.188 263 HG22 VAL 32 1HG2 VAL 32 1.260 3.945 -1.044 264 HG23 VAL 32 2HG2 VAL 32 0.827 5.455 -0.245 265 H ARG 33 H ARG 33 2.248 8.039 0.524 266 HA ARG 33 HA ARG 33 4.565 9.664 -0.206 267 HB2 ARG 33 2HB ARG 33 3.203 8.827 2.362 268 HB3 ARG 33 1HB ARG 33 4.632 9.863 2.351 269 HG2 ARG 33 2HG ARG 33 2.316 10.569 0.581 270 HG3 ARG 33 1HG ARG 33 2.218 10.938 2.304 271 HD2 ARG 33 2HD ARG 33 3.805 12.587 2.169 272 HD3 ARG 33 1HD ARG 33 4.771 11.693 0.977 273 HE ARG 33 HE ARG 33 2.303 13.252 0.329 274 HH11 ARG 33 1HH2 ARG 33 5.235 13.855 -0.516 275 HH12 ARG 33 2HH2 ARG 33 5.178 13.360 -2.175 276 HH21 ARG 33 1HH1 ARG 33 2.199 11.623 -1.834 277 HH22 ARG 33 2HH1 ARG 33 3.463 12.098 -2.919 278 H ARG 34 H ARG 34 4.108 6.606 1.633 279 HA ARG 34 HA ARG 34 6.863 5.818 0.872 280 HB2 ARG 34 2HB ARG 34 6.357 7.175 3.232 281 HB3 ARG 34 1HB ARG 34 6.356 5.487 3.744 282 HG2 ARG 34 2HG ARG 34 8.620 5.861 3.860 283 HG3 ARG 34 1HG ARG 34 8.522 5.432 2.152 284 HD2 ARG 34 2HD ARG 34 9.730 7.457 2.094 285 HD3 ARG 34 1HD ARG 34 8.067 8.013 1.823 286 HE ARG 34 HE ARG 34 9.176 7.893 4.597 287 HH11 ARG 34 1HH2 ARG 34 8.836 9.980 1.990 288 HH12 ARG 34 2HH2 ARG 34 8.002 11.220 2.865 289 HH21 ARG 34 1HH1 ARG 34 7.613 9.302 5.729 290 HH22 ARG 34 2HH1 ARG 34 7.308 10.836 4.983 291 H VAL 35 H VAL 35 6.725 3.717 0.273 292 HA VAL 35 HA VAL 35 4.848 1.898 1.739 293 HB VAL 35 HB VAL 35 3.867 2.466 -0.394 294 HG11 VAL 35 1HG1 VAL 35 6.575 1.780 -1.579 295 HG12 VAL 35 2HG1 VAL 35 5.908 3.405 -1.418 296 HG13 VAL 35 3HG1 VAL 35 5.141 2.240 -2.498 297 HG21 VAL 35 3HG2 VAL 35 3.839 0.054 0.212 298 HG22 VAL 35 1HG2 VAL 35 5.346 -0.171 -0.676 299 HG23 VAL 35 2HG2 VAL 35 3.877 0.288 -1.535 300 H MET 36 H MET 36 5.870 0.010 2.415 301 HA MET 36 HA MET 36 8.506 -0.637 1.219 302 HB2 MET 36 2HB MET 36 8.067 0.404 3.696 303 HB3 MET 36 1HB MET 36 8.004 -1.323 4.049 304 HG2 MET 36 2HG MET 36 10.208 -0.638 2.257 305 HG3 MET 36 1HG MET 36 10.317 0.198 3.806 306 HE1 MET 36 3HE MET 36 10.116 -2.161 6.448 307 HE2 MET 36 1HE MET 36 10.209 -0.522 5.790 308 HE3 MET 36 2HE MET 36 11.676 -1.470 6.013 309 H VAL 37 H VAL 37 8.361 -2.625 0.233 310 HA VAL 37 HA VAL 37 6.492 -4.649 1.421 311 HB VAL 37 HB VAL 37 7.551 -4.417 -1.412 312 HG11 VAL 37 1HG1 VAL 37 6.662 -6.498 -1.515 313 HG12 VAL 37 2HG1 VAL 37 5.093 -5.699 -1.417 314 HG13 VAL 37 3HG1 VAL 37 5.858 -6.320 0.045 315 HG21 VAL 37 3HG2 VAL 37 5.535 -3.272 -1.992 316 HG22 VAL 37 1HG2 VAL 37 6.143 -2.450 -0.555 317 HG23 VAL 37 2HG2 VAL 37 4.813 -3.598 -0.416 318 H VAL 38 H VAL 38 7.417 -6.543 2.150 319 HA VAL 38 HA VAL 38 10.264 -7.092 1.374 320 HB VAL 38 HB VAL 38 10.254 -8.194 3.712 321 HG11 VAL 38 1HG1 VAL 38 11.231 -5.915 3.008 322 HG12 VAL 38 2HG1 VAL 38 10.912 -6.155 4.726 323 HG13 VAL 38 3HG1 VAL 38 9.789 -5.212 3.744 324 HG21 VAL 38 3HG2 VAL 38 8.560 -7.367 5.261 325 HG22 VAL 38 1HG2 VAL 38 7.764 -8.180 3.914 326 HG23 VAL 38 2HG2 VAL 38 7.810 -6.418 3.978 327 H ALA 39 H ALA 39 10.833 -9.404 1.345 328 HA ALA 39 HA ALA 39 8.692 -11.064 0.205 329 HB1 ALA 39 1HB ALA 39 10.993 -10.898 -0.725 330 HB2 ALA 39 2HB ALA 39 10.567 -12.557 -0.302 331 HB3 ALA 39 3HB ALA 39 11.619 -11.620 0.759 332 H SER 40 H SER 40 8.113 -13.171 1.017 333 HA SER 40 HA SER 40 7.921 -13.328 3.914 334 HB2 SER 40 2HB SER 40 7.171 -15.765 2.966 335 HB3 SER 40 1HB SER 40 6.124 -14.351 2.916 336 HG SER 40 HG SER 40 6.386 -14.236 0.822 337 H THR 41 H THR 41 8.584 -15.603 4.910 338 HA THR 41 HA THR 41 11.489 -15.901 4.406 339 HB THR 41 HB THR 41 11.425 -17.033 6.573 340 HG1 THR 41 1HG THR 41 8.617 -16.707 6.477 341 HG21 THR 41 3HG2 THR 41 9.446 -14.856 7.020 342 HG22 THR 41 1HG2 THR 41 10.941 -14.417 6.192 343 HG23 THR 41 2HG2 THR 41 11.002 -15.139 7.800 344 H THR 42 H THR 42 8.668 -17.390 3.305 345 HA THR 42 HA THR 42 10.228 -19.770 2.480 346 HB THR 42 HB THR 42 7.882 -19.683 4.346 347 HG1 THR 42 1HG THR 42 9.847 -21.653 4.260 348 HG21 THR 42 3HG2 THR 42 7.136 -21.002 2.352 349 HG22 THR 42 1HG2 THR 42 7.274 -21.975 3.813 350 HG23 THR 42 2HG2 THR 42 8.530 -22.058 2.578 351 HA PRO 43 HA PRO 43 6.344 -19.683 -0.253 352 HB2 PRO 43 2HB PRO 43 4.236 -18.082 0.426 353 HB3 PRO 43 1HB PRO 43 4.417 -19.743 1.028 354 HG2 PRO 43 2HG PRO 43 5.043 -17.163 2.379 355 HG3 PRO 43 1HG PRO 43 4.301 -18.630 3.037 356 HD2 PRO 43 2HD PRO 43 6.910 -17.984 3.435 357 HD3 PRO 43 1HD PRO 43 6.318 -19.658 3.377 358 H GLY 44 H GLY 44 4.939 -17.730 -1.478 359 HA2 GLY 44 2HA GLY 44 6.910 -15.590 -1.922 360 HA3 GLY 44 1HA GLY 44 5.767 -16.151 -3.136 361 H ARG 45 H ARG 45 4.946 -15.590 0.231 362 HA ARG 45 HA ARG 45 2.898 -13.613 -0.621 363 HB2 ARG 45 2HB ARG 45 3.404 -15.523 1.575 364 HB3 ARG 45 1HB ARG 45 2.667 -14.008 2.094 365 HG2 ARG 45 2HG ARG 45 0.742 -14.355 0.842 366 HG3 ARG 45 1HG ARG 45 1.561 -15.402 -0.319 367 HD2 ARG 45 2HD ARG 45 1.860 -17.041 1.679 368 HD3 ARG 45 1HD ARG 45 0.588 -16.081 2.458 369 HE ARG 45 HE ARG 45 -0.692 -16.494 0.218 370 HH11 ARG 45 1HH1 ARG 45 0.245 -18.713 2.464 371 HH12 ARG 45 2HH1 ARG 45 0.149 -20.103 1.436 372 HH21 ARG 45 1HH2 ARG 45 -0.238 -18.253 -1.472 373 HH22 ARG 45 2HH2 ARG 45 -0.124 -19.843 -0.792 374 H TYR 46 H TYR 46 3.135 -11.407 -0.141 375 HA TYR 46 HA TYR 46 5.526 -10.682 1.514 376 HB2 TYR 46 2HB TYR 46 4.147 -9.259 -0.756 377 HB3 TYR 46 1HB TYR 46 5.514 -8.620 0.130 378 HD1 TYR 46 2HD TYR 46 4.523 -11.794 -1.631 379 HD2 TYR 46 1HD TYR 46 7.631 -8.973 -0.717 380 HE1 TYR 46 2HE TYR 46 6.111 -13.086 -3.030 381 HE2 TYR 46 1HE TYR 46 9.214 -10.267 -2.112 382 HH TYR 46 HH TYR 46 9.435 -12.652 -2.900 383 H GLU 47 H GLU 47 5.332 -8.992 2.932 384 HA GLU 47 HA GLU 47 2.555 -8.259 3.767 385 HB2 GLU 47 2HB GLU 47 3.747 -7.741 5.939 386 HB3 GLU 47 1HB GLU 47 3.860 -9.431 5.448 387 HG2 GLU 47 2HG GLU 47 5.998 -7.779 4.322 388 HG3 GLU 47 1HG GLU 47 6.005 -7.795 6.086 389 H VAL 48 H VAL 48 2.354 -6.466 2.256 390 HA VAL 48 HA VAL 48 4.411 -4.378 2.205 391 HB VAL 48 HB VAL 48 2.841 -3.337 0.619 392 HG11 VAL 48 1HG1 VAL 48 2.449 -6.064 -0.308 393 HG12 VAL 48 2HG1 VAL 48 4.069 -5.849 0.354 394 HG13 VAL 48 3HG1 VAL 48 3.507 -4.811 -0.956 395 HG21 VAL 48 3HG2 VAL 48 0.986 -5.129 2.035 396 HG22 VAL 48 1HG2 VAL 48 0.782 -5.121 0.284 397 HG23 VAL 48 2HG2 VAL 48 0.659 -3.614 1.192 398 H ASN 49 H ASN 49 4.497 -2.725 3.629 399 HA ASN 49 HA ASN 49 2.035 -1.924 5.106 400 HB2 ASN 49 2HB ASN 49 3.840 -1.255 6.866 401 HB3 ASN 49 1HB ASN 49 3.476 -2.971 6.691 402 HD21 ASN 49 1HD2 ASN 49 5.136 -4.352 5.868 403 HD22 ASN 49 2HD2 ASN 49 6.696 -3.801 5.492 404 H ILE 50 H ILE 50 1.531 -0.179 3.852 405 HA ILE 50 HA ILE 50 3.683 1.803 3.223 406 HB ILE 50 HB ILE 50 2.526 0.756 1.345 407 HG12 ILE 50 2HG1 ILE 50 3.082 3.284 1.380 408 HG13 ILE 50 1HG1 ILE 50 1.966 2.709 0.145 409 HG21 ILE 50 1HG2 ILE 50 0.027 1.263 1.111 410 HG22 ILE 50 2HG2 ILE 50 0.061 1.684 2.823 411 HG23 ILE 50 3HG2 ILE 50 0.472 0.048 2.308 412 HD11 ILE 50 3HD1 ILE 50 1.493 4.726 2.079 413 HD12 ILE 50 1HD1 ILE 50 0.481 3.358 2.532 414 HD13 ILE 50 2HD1 ILE 50 0.339 4.057 0.926 415 H VAL 51 H VAL 51 3.444 3.940 3.846 416 HA VAL 51 HA VAL 51 1.139 4.583 5.649 417 HB VAL 51 HB VAL 51 3.391 4.637 6.639 418 HG11 VAL 51 1HG1 VAL 51 4.071 5.682 4.075 419 HG12 VAL 51 2HG1 VAL 51 5.157 5.276 5.403 420 HG13 VAL 51 3HG1 VAL 51 4.492 6.905 5.275 421 HG21 VAL 51 3HG2 VAL 51 2.806 7.542 6.243 422 HG22 VAL 51 1HG2 VAL 51 3.112 6.655 7.735 423 HG23 VAL 51 2HG2 VAL 51 1.538 6.543 6.950 424 H LEU 52 H LEU 52 -0.369 5.899 4.690 425 HA LEU 52 HA LEU 52 0.301 7.416 2.252 426 HB2 LEU 52 2HB LEU 52 -2.034 6.381 3.682 427 HB3 LEU 52 1HB LEU 52 -2.300 8.006 3.049 428 HG LEU 52 HG LEU 52 -1.340 5.604 1.467 429 HD11 LEU 52 1HD1 LEU 52 -3.878 7.218 1.132 430 HD12 LEU 52 2HD1 LEU 52 -3.803 5.769 2.134 431 HD13 LEU 52 3HD1 LEU 52 -3.480 5.661 0.404 432 HD21 LEU 52 3HD2 LEU 52 -2.181 7.973 -0.021 433 HD22 LEU 52 1HD2 LEU 52 -0.706 7.019 -0.182 434 HD23 LEU 52 2HD2 LEU 52 -0.795 8.307 1.018 435 H ASN 53 H ASN 53 -0.769 9.734 2.223 436 HA ASN 53 HA ASN 53 0.676 11.580 3.683 437 HB2 ASN 53 2HB ASN 53 -2.208 11.633 2.737 438 HB3 ASN 53 1HB ASN 53 -1.327 13.075 3.235 439 HD21 ASN 53 1HD2 ASN 53 -1.899 10.931 0.596 440 HD22 ASN 53 2HD2 ASN 53 -0.722 11.557 -0.456 441 HA PRO 54 HA PRO 54 -0.658 11.597 7.860 442 HB2 PRO 54 2HB PRO 54 -1.144 14.257 8.374 443 HB3 PRO 54 1HB PRO 54 0.487 13.568 8.235 444 HG2 PRO 54 2HG PRO 54 -1.129 15.026 6.189 445 HG3 PRO 54 1HG PRO 54 0.588 15.199 6.600 446 HD2 PRO 54 2HD PRO 54 -0.192 13.810 4.449 447 HD3 PRO 54 1HD PRO 54 1.199 13.292 5.428 448 H ASN 55 H ASN 55 -2.723 12.775 5.381 449 HA ASN 55 HA ASN 55 -5.106 12.284 7.132 450 HB2 ASN 55 2HB ASN 55 -4.721 14.698 6.828 451 HB3 ASN 55 1HB ASN 55 -4.657 14.478 5.078 452 HD21 ASN 55 1HD2 ASN 55 -6.814 14.682 7.848 453 HD22 ASN 55 2HD2 ASN 55 -8.262 14.621 6.965 454 H LEU 56 H LEU 56 -4.449 10.128 5.775 455 HA LEU 56 HA LEU 56 -5.022 10.007 2.979 456 HB2 LEU 56 2HB LEU 56 -5.319 7.564 3.470 457 HB3 LEU 56 1HB LEU 56 -3.867 8.239 4.190 458 HG LEU 56 HG LEU 56 -5.180 8.545 6.336 459 HD11 LEU 56 1HD1 LEU 56 -7.445 8.475 5.808 460 HD12 LEU 56 2HD1 LEU 56 -7.186 6.809 6.327 461 HD13 LEU 56 3HD1 LEU 56 -7.230 7.201 4.607 462 HD21 LEU 56 3HD2 LEU 56 -5.454 5.753 6.262 463 HD22 LEU 56 1HD2 LEU 56 -4.028 6.657 6.775 464 HD23 LEU 56 2HD2 LEU 56 -4.177 6.118 5.101 465 H ASP 57 H ASP 57 -6.960 8.564 2.206 466 HA ASP 57 HA ASP 57 -9.462 8.790 3.670 467 HB2 ASP 57 2HB ASP 57 -8.555 10.831 1.725 468 HB3 ASP 57 1HB ASP 57 -10.216 10.300 1.555 469 H GLN 58 H GLN 58 -11.313 8.319 1.987 470 HA GLN 58 HA GLN 58 -10.766 5.821 0.727 471 HB2 GLN 58 2HB GLN 58 -13.039 7.811 0.624 472 HB3 GLN 58 1HB GLN 58 -13.116 6.246 -0.186 473 HG2 GLN 58 2HG GLN 58 -12.185 6.009 2.571 474 HG3 GLN 58 1HG GLN 58 -13.787 6.741 2.472 475 HE21 GLN 58 1HE2 GLN 58 -12.870 3.907 3.279 476 HE22 GLN 58 2HE2 GLN 58 -13.826 2.882 2.323 477 H SER 59 H SER 59 -11.013 9.128 -0.521 478 HA SER 59 HA SER 59 -10.963 8.447 -3.297 479 HB2 SER 59 2HB SER 59 -11.759 10.583 -2.343 480 HB3 SER 59 1HB SER 59 -10.122 10.948 -1.804 481 HG SER 59 HG SER 59 -10.862 10.444 -4.501 482 H GLN 60 H GLN 60 -8.461 8.975 -0.873 483 HA GLN 60 HA GLN 60 -6.264 9.207 -2.750 484 HB2 GLN 60 2HB GLN 60 -6.487 8.519 0.198 485 HB3 GLN 60 1HB GLN 60 -4.958 8.828 -0.622 486 HG2 GLN 60 2HG GLN 60 -7.215 10.818 -0.776 487 HG3 GLN 60 1HG GLN 60 -6.105 10.815 0.595 488 HE21 GLN 60 1HE2 GLN 60 -5.161 12.887 -0.070 489 HE22 GLN 60 2HE2 GLN 60 -4.131 12.987 -1.415 490 H LEU 61 H LEU 61 -7.518 6.503 -0.743 491 HA LEU 61 HA LEU 61 -5.594 4.575 -1.699 492 HB2 LEU 61 2HB LEU 61 -8.298 4.493 -0.378 493 HB3 LEU 61 1HB LEU 61 -7.540 3.003 -0.951 494 HG LEU 61 HG LEU 61 -5.449 4.163 0.355 495 HD11 LEU 61 1HD1 LEU 61 -6.316 5.017 2.505 496 HD12 LEU 61 2HD1 LEU 61 -7.966 4.862 1.901 497 HD13 LEU 61 3HD1 LEU 61 -6.861 6.022 1.161 498 HD21 LEU 61 3HD2 LEU 61 -5.633 2.097 1.238 499 HD22 LEU 61 1HD2 LEU 61 -7.329 2.012 0.764 500 HD23 LEU 61 2HD2 LEU 61 -6.882 2.711 2.321 501 H ALA 62 H ALA 62 -8.794 5.609 -2.806 502 HA ALA 62 HA ALA 62 -9.367 3.608 -4.676 503 HB1 ALA 62 1HB ALA 62 -10.552 5.857 -3.859 504 HB2 ALA 62 2HB ALA 62 -10.960 5.140 -5.417 505 HB3 ALA 62 3HB ALA 62 -9.834 6.494 -5.339 506 H LEU 63 H LEU 63 -7.160 6.348 -4.854 507 HA LEU 63 HA LEU 63 -6.553 6.104 -7.642 508 HB2 LEU 63 2HB LEU 63 -5.412 7.399 -5.193 509 HB3 LEU 63 1HB LEU 63 -4.428 7.350 -6.651 510 HG LEU 63 HG LEU 63 -7.223 8.489 -6.429 511 HD11 LEU 63 1HD1 LEU 63 -5.302 10.361 -7.373 512 HD12 LEU 63 2HD1 LEU 63 -4.609 9.591 -5.946 513 HD13 LEU 63 3HD1 LEU 63 -6.176 10.396 -5.842 514 HD21 LEU 63 3HD2 LEU 63 -5.630 7.579 -8.689 515 HD22 LEU 63 1HD2 LEU 63 -6.000 9.299 -8.823 516 HD23 LEU 63 2HD2 LEU 63 -7.307 8.126 -8.659 517 H GLU 64 H GLU 64 -4.852 5.030 -4.682 518 HA GLU 64 HA GLU 64 -2.844 3.539 -6.146 519 HB2 GLU 64 2HB GLU 64 -3.744 3.092 -3.291 520 HB3 GLU 64 1HB GLU 64 -2.125 2.901 -3.960 521 HG2 GLU 64 2HG GLU 64 -3.618 5.456 -3.364 522 HG3 GLU 64 1HG GLU 64 -2.026 4.958 -2.795 523 H LYS 65 H LYS 65 -5.874 2.654 -4.461 524 HA LYS 65 HA LYS 65 -5.633 -0.173 -4.914 525 HB2 LYS 65 2HB LYS 65 -7.708 1.803 -4.115 526 HB3 LYS 65 1HB LYS 65 -8.309 0.275 -4.751 527 HG2 LYS 65 2HG LYS 65 -8.047 0.115 -2.322 528 HG3 LYS 65 1HG LYS 65 -6.882 -0.941 -3.122 529 HD2 LYS 65 2HD LYS 65 -5.818 1.745 -2.764 530 HD3 LYS 65 1HD LYS 65 -6.295 1.024 -1.226 531 HE2 LYS 65 2HE LYS 65 -4.966 -1.005 -1.776 532 HE3 LYS 65 1HE LYS 65 -4.444 -0.230 -3.285 533 HZ1 LYS 65 3HZ LYS 65 -4.187 1.196 -0.720 534 HZ2 LYS 65 1HZ LYS 65 -3.318 1.423 -2.159 535 HZ3 LYS 65 2HZ LYS 65 -3.002 0.069 -1.182 536 H GLU 66 H GLU 66 -6.869 2.479 -6.939 537 HA GLU 66 HA GLU 66 -8.228 0.796 -8.820 538 HB2 GLU 66 2HB GLU 66 -7.209 3.599 -8.660 539 HB3 GLU 66 1HB GLU 66 -7.676 2.982 -10.244 540 HG2 GLU 66 2HG GLU 66 -9.632 2.278 -8.206 541 HG3 GLU 66 1HG GLU 66 -9.399 4.024 -8.308 542 H ILE 67 H ILE 67 -4.989 2.320 -8.886 543 HA ILE 67 HA ILE 67 -4.239 0.965 -11.354 544 HB ILE 67 HB ILE 67 -2.393 2.284 -9.367 545 HG12 ILE 67 2HG1 ILE 67 -4.345 3.601 -11.278 546 HG13 ILE 67 1HG1 ILE 67 -4.278 3.809 -9.537 547 HG21 ILE 67 1HG2 ILE 67 -1.305 3.020 -11.483 548 HG22 ILE 67 2HG2 ILE 67 -2.531 2.137 -12.391 549 HG23 ILE 67 3HG2 ILE 67 -1.402 1.263 -11.359 550 HD11 ILE 67 3HD1 ILE 67 -2.712 5.397 -9.705 551 HD12 ILE 67 1HD1 ILE 67 -2.933 5.350 -11.455 552 HD13 ILE 67 2HD1 ILE 67 -1.695 4.349 -10.695 553 H ILE 68 H ILE 68 -3.556 0.493 -7.878 554 HA ILE 68 HA ILE 68 -1.523 -1.474 -8.154 555 HB ILE 68 HB ILE 68 -3.638 -0.872 -6.076 556 HG12 ILE 68 2HG1 ILE 68 -0.623 -0.532 -6.053 557 HG13 ILE 68 1HG1 ILE 68 -1.749 0.741 -6.526 558 HG21 ILE 68 1HG2 ILE 68 -3.075 -3.253 -5.878 559 HG22 ILE 68 2HG2 ILE 68 -2.349 -2.349 -4.548 560 HG23 ILE 68 3HG2 ILE 68 -1.355 -2.864 -5.911 561 HD11 ILE 68 3HD1 ILE 68 -2.894 0.225 -4.229 562 HD12 ILE 68 1HD1 ILE 68 -1.421 1.196 -4.252 563 HD13 ILE 68 2HD1 ILE 68 -1.345 -0.513 -3.822 564 H GLN 69 H GLN 69 -5.071 -1.921 -7.781 565 HA GLN 69 HA GLN 69 -5.013 -4.779 -7.970 566 HB2 GLN 69 2HB GLN 69 -7.434 -4.467 -8.466 567 HB3 GLN 69 1HB GLN 69 -6.906 -3.467 -7.113 568 HG2 GLN 69 2HG GLN 69 -8.068 -1.892 -8.346 569 HG3 GLN 69 1HG GLN 69 -6.459 -1.694 -9.038 570 HE21 GLN 69 1HE2 GLN 69 -8.438 -0.924 -10.731 571 HE22 GLN 69 2HE2 GLN 69 -8.728 -2.088 -11.931 572 H ARG 70 H ARG 70 -5.399 -2.243 -10.453 573 HA ARG 70 HA ARG 70 -5.804 -4.040 -12.639 574 HB2 ARG 70 2HB ARG 70 -5.820 -1.280 -12.111 575 HB3 ARG 70 1HB ARG 70 -4.582 -1.507 -13.347 576 HG2 ARG 70 2HG ARG 70 -6.091 -2.287 -14.914 577 HG3 ARG 70 1HG ARG 70 -7.177 -2.951 -13.693 578 HD2 ARG 70 2HD ARG 70 -8.318 -0.976 -13.452 579 HD3 ARG 70 1HD ARG 70 -6.854 0.007 -13.658 580 HE ARG 70 HE ARG 70 -7.904 -1.454 -16.027 581 HH11 ARG 70 1HH1 ARG 70 -5.787 0.545 -16.418 582 HH12 ARG 70 2HH1 ARG 70 -6.666 1.969 -16.862 583 HH21 ARG 70 1HH2 ARG 70 -9.706 0.781 -15.687 584 HH22 ARG 70 2HH2 ARG 70 -8.887 2.104 -16.448 585 H ALA 71 H ALA 71 -2.887 -2.295 -11.463 586 HA ALA 71 HA ALA 71 -1.108 -3.266 -13.449 587 HB1 ALA 71 1HB ALA 71 -0.964 -2.117 -10.696 588 HB2 ALA 71 2HB ALA 71 -0.266 -1.507 -12.196 589 HB3 ALA 71 3HB ALA 71 0.503 -2.848 -11.347 590 H LEU 72 H LEU 72 -1.830 -4.497 -10.183 591 HA LEU 72 HA LEU 72 -0.109 -6.766 -10.298 592 HB2 LEU 72 2HB LEU 72 -2.630 -6.119 -8.752 593 HB3 LEU 72 1HB LEU 72 -1.595 -7.500 -8.393 594 HG LEU 72 HG LEU 72 -0.636 -4.626 -8.454 595 HD11 LEU 72 1HD1 LEU 72 -2.252 -5.041 -6.616 596 HD12 LEU 72 2HD1 LEU 72 -0.621 -4.771 -6.004 597 HD13 LEU 72 3HD1 LEU 72 -1.274 -6.407 -6.082 598 HD21 LEU 72 3HD2 LEU 72 1.192 -6.105 -8.874 599 HD22 LEU 72 1HD2 LEU 72 0.615 -7.272 -7.683 600 HD23 LEU 72 2HD2 LEU 72 1.281 -5.727 -7.153 601 H GLU 73 H GLU 73 -3.465 -6.256 -11.257 602 HA GLU 73 HA GLU 73 -4.160 -8.985 -11.729 603 HB2 GLU 73 2HB GLU 73 -5.193 -6.272 -12.272 604 HB3 GLU 73 1HB GLU 73 -5.726 -7.496 -13.418 605 HG2 GLU 73 2HG GLU 73 -5.824 -8.317 -10.578 606 HG3 GLU 73 1HG GLU 73 -6.952 -7.037 -11.031 607 H ASN 74 H ASN 74 -2.973 -6.373 -13.841 608 HA ASN 74 HA ASN 74 -2.905 -7.868 -16.253 609 HB2 ASN 74 2HB ASN 74 -2.555 -5.318 -15.644 610 HB3 ASN 74 1HB ASN 74 -0.858 -5.787 -15.529 611 HD21 ASN 74 1HD2 ASN 74 -1.488 -4.007 -17.552 612 HD22 ASN 74 2HD2 ASN 74 -1.455 -4.787 -19.059 613 H TYR 75 H TYR 75 -0.666 -7.492 -13.539 614 HA TYR 75 HA TYR 75 1.503 -9.014 -14.735 615 HB2 TYR 75 2HB TYR 75 1.088 -7.265 -12.664 616 HB3 TYR 75 1HB TYR 75 1.254 -8.796 -11.814 617 HD1 TYR 75 1HD TYR 75 3.333 -10.176 -12.112 618 HD2 TYR 75 2HD TYR 75 2.910 -6.258 -13.816 619 HE1 TYR 75 1HE TYR 75 5.784 -10.077 -12.489 620 HE2 TYR 75 2HE TYR 75 5.363 -6.155 -14.190 621 HH TYR 75 HH TYR 75 7.381 -8.902 -13.916 622 H GLY 76 H GLY 76 -1.100 -9.741 -12.400 623 HA2 GLY 76 2HA GLY 76 -2.143 -11.991 -12.558 624 HA3 GLY 76 1HA GLY 76 -0.516 -12.613 -12.792 625 H ALA 77 H ALA 77 -0.970 -10.065 -10.487 626 HA ALA 77 HA ALA 77 -0.512 -12.040 -8.276 627 HB1 ALA 77 1HB ALA 77 0.286 -9.690 -7.249 628 HB2 ALA 77 2HB ALA 77 0.471 -9.302 -8.959 629 HB3 ALA 77 3HB ALA 77 1.350 -10.664 -8.264 630 H ARG 78 H ARG 78 -2.210 -12.237 -6.852 631 HA ARG 78 HA ARG 78 -4.182 -9.972 -6.714 632 HB2 ARG 78 2HB ARG 78 -4.382 -12.854 -7.156 633 HB3 ARG 78 1HB ARG 78 -5.425 -12.310 -5.842 634 HG2 ARG 78 2HG ARG 78 -6.852 -11.341 -7.287 635 HG3 ARG 78 1HG ARG 78 -5.539 -10.454 -8.064 636 HD2 ARG 78 2HD ARG 78 -6.325 -11.825 -9.816 637 HD3 ARG 78 1HD ARG 78 -4.992 -12.797 -9.158 638 HE ARG 78 HE ARG 78 -7.736 -13.186 -8.061 639 HH11 ARG 78 1HH1 ARG 78 -4.841 -14.667 -8.049 640 HH12 ARG 78 2HH1 ARG 78 -5.351 -16.167 -8.748 641 HH21 ARG 78 1HH2 ARG 78 -8.459 -14.971 -9.707 642 HH22 ARG 78 2HH2 ARG 78 -7.397 -16.339 -9.685 643 H VAL 79 H VAL 79 -4.972 -9.422 -4.623 644 HA VAL 79 HA VAL 79 -3.271 -10.321 -2.371 645 HB VAL 79 HB VAL 79 -5.430 -8.234 -2.221 646 HG11 VAL 79 1HG1 VAL 79 -4.202 -7.427 -0.457 647 HG12 VAL 79 2HG1 VAL 79 -2.661 -7.877 -1.186 648 HG13 VAL 79 3HG1 VAL 79 -3.659 -9.103 -0.404 649 HG21 VAL 79 3HG2 VAL 79 -4.535 -7.236 -4.076 650 HG22 VAL 79 1HG2 VAL 79 -3.045 -8.172 -3.980 651 HG23 VAL 79 2HG2 VAL 79 -3.259 -6.749 -2.960 652 H GLU 80 H GLU 80 -4.074 -12.071 -1.299 653 HA GLU 80 HA GLU 80 -6.913 -12.778 -1.422 654 HB2 GLU 80 2HB GLU 80 -5.699 -14.709 -1.366 655 HB3 GLU 80 1HB GLU 80 -4.292 -13.894 -0.679 656 HG2 GLU 80 2HG GLU 80 -5.157 -14.089 1.543 657 HG3 GLU 80 1HG GLU 80 -6.743 -14.599 0.959 658 H LYS 81 H LYS 81 -5.094 -10.665 0.479 659 HA LYS 81 HA LYS 81 -7.111 -10.777 2.677 660 HB2 LYS 81 2HB LYS 81 -5.247 -10.650 4.209 661 HB3 LYS 81 1HB LYS 81 -4.930 -11.953 3.064 662 HG2 LYS 81 2HG LYS 81 -2.932 -10.905 2.818 663 HG3 LYS 81 1HG LYS 81 -3.845 -9.876 1.710 664 HD2 LYS 81 2HD LYS 81 -2.674 -8.404 3.210 665 HD3 LYS 81 1HD LYS 81 -4.364 -8.393 3.713 666 HE2 LYS 81 2HE LYS 81 -3.940 -9.716 5.616 667 HE3 LYS 81 1HE LYS 81 -2.410 -10.331 4.959 668 HZ1 LYS 81 3HZ LYS 81 -1.834 -8.639 6.488 669 HZ2 LYS 81 1HZ LYS 81 -3.011 -7.579 5.886 670 HZ3 LYS 81 2HZ LYS 81 -1.646 -7.953 4.946 671 H VAL 82 H VAL 82 -7.535 -8.738 3.652 672 HA VAL 82 HA VAL 82 -6.077 -6.351 2.611 673 HB VAL 82 HB VAL 82 -7.998 -6.607 1.162 674 HG11 VAL 82 1HG1 VAL 82 -9.139 -7.780 3.494 675 HG12 VAL 82 2HG1 VAL 82 -9.825 -7.711 1.871 676 HG13 VAL 82 3HG1 VAL 82 -10.168 -6.426 3.030 677 HG21 VAL 82 3HG2 VAL 82 -8.382 -4.395 1.348 678 HG22 VAL 82 1HG2 VAL 82 -7.700 -4.418 2.974 679 HG23 VAL 82 2HG2 VAL 82 -9.427 -4.688 2.738 680 H GLU 83 H GLU 83 -5.259 -5.642 4.595 681 HA GLU 83 HA GLU 83 -7.245 -5.290 6.819 682 HB2 GLU 83 2HB GLU 83 -5.254 -7.116 6.778 683 HB3 GLU 83 1HB GLU 83 -4.367 -5.737 7.429 684 HG2 GLU 83 2HG GLU 83 -5.343 -7.052 9.258 685 HG3 GLU 83 1HG GLU 83 -6.106 -5.463 9.178 686 H GLU 84 H GLU 84 -7.442 -3.143 7.323 687 HA GLU 84 HA GLU 84 -5.340 -1.248 6.522 688 HB2 GLU 84 2HB GLU 84 -8.152 -0.959 7.613 689 HB3 GLU 84 1HB GLU 84 -7.137 0.400 7.126 690 HG2 GLU 84 2HG GLU 84 -6.937 -0.695 4.850 691 HG3 GLU 84 1HG GLU 84 -8.174 -1.838 5.371 692 H LEU 85 H LEU 85 -3.743 -0.888 8.080 693 HA LEU 85 HA LEU 85 -4.628 -0.895 10.941 694 HB2 LEU 85 2HB LEU 85 -2.432 -1.868 11.416 695 HB3 LEU 85 1HB LEU 85 -3.283 -2.848 10.228 696 HG LEU 85 HG LEU 85 -1.974 -1.071 8.614 697 HD11 LEU 85 1HD1 LEU 85 -0.134 -0.199 9.580 698 HD12 LEU 85 2HD1 LEU 85 0.331 -1.767 10.241 699 HD13 LEU 85 3HD1 LEU 85 -0.785 -0.732 11.131 700 HD21 LEU 85 3HD2 LEU 85 -2.105 -3.664 8.672 701 HD22 LEU 85 1HD2 LEU 85 -0.612 -3.575 9.607 702 HD23 LEU 85 2HD2 LEU 85 -0.666 -2.929 7.966 703 H GLY 86 H GLY 86 -4.420 1.067 11.841 704 HA2 GLY 86 2HA GLY 86 -3.098 2.892 12.681 705 HA3 GLY 86 1HA GLY 86 -2.054 2.748 11.271 706 H LEU 87 H LEU 87 -5.595 3.021 11.508 707 HA LEU 87 HA LEU 87 -6.080 4.644 9.314 708 HB2 LEU 87 2HB LEU 87 -7.887 3.746 10.578 709 HB3 LEU 87 1HB LEU 87 -7.293 4.456 12.077 710 HG LEU 87 HG LEU 87 -7.729 6.730 11.090 711 HD11 LEU 87 1HD1 LEU 87 -8.846 6.981 9.040 712 HD12 LEU 87 2HD1 LEU 87 -9.423 5.314 9.042 713 HD13 LEU 87 3HD1 LEU 87 -7.728 5.659 8.701 714 HD21 LEU 87 3HD2 LEU 87 -9.353 5.306 12.537 715 HD22 LEU 87 1HD2 LEU 87 -10.251 5.078 11.038 716 HD23 LEU 87 2HD2 LEU 87 -10.010 6.702 11.684 717 H ARG 88 H ARG 88 -6.545 7.083 9.317 718 HA ARG 88 HA ARG 88 -4.295 8.507 10.438 719 HB2 ARG 88 2HB ARG 88 -5.301 10.401 9.202 720 HB3 ARG 88 1HB ARG 88 -5.209 8.956 8.198 721 HG2 ARG 88 2HG ARG 88 -7.433 9.011 7.888 722 HG3 ARG 88 1HG ARG 88 -7.692 8.899 9.628 723 HD2 ARG 88 2HD ARG 88 -6.913 11.552 8.432 724 HD3 ARG 88 1HD ARG 88 -8.600 11.011 8.342 725 HE ARG 88 HE ARG 88 -7.084 11.247 10.915 726 HH11 ARG 88 1HH2 ARG 88 -10.001 10.397 9.407 727 HH12 ARG 88 2HH2 ARG 88 -11.015 11.210 10.553 728 HH21 ARG 88 1HH1 ARG 88 -8.374 12.671 12.258 729 HH22 ARG 88 2HH1 ARG 88 -10.096 12.494 12.167 730 H ARG 89 H ARG 89 -4.286 9.344 12.487 731 HA ARG 89 HA ARG 89 -6.670 10.696 13.525 732 HB2 ARG 89 2HB ARG 89 -5.726 8.004 14.378 733 HB3 ARG 89 1HB ARG 89 -6.283 9.094 15.646 734 HG2 ARG 89 2HG ARG 89 -8.341 9.485 14.116 735 HG3 ARG 89 1HG ARG 89 -7.821 8.016 13.291 736 HD2 ARG 89 2HD ARG 89 -8.273 6.658 15.128 737 HD3 ARG 89 1HD ARG 89 -8.044 7.982 16.287 738 HE ARG 89 HE ARG 89 -10.254 8.503 14.477 739 HH11 ARG 89 1HH2 ARG 89 -10.143 9.203 17.414 740 HH12 ARG 89 2HH2 ARG 89 -11.324 8.120 18.076 741 HH21 ARG 89 1HH1 ARG 89 -11.397 6.071 15.278 742 HH22 ARG 89 2HH1 ARG 89 -12.033 6.346 16.866 743 H LEU 90 H LEU 90 -3.849 11.238 12.888 744 HA LEU 90 HA LEU 90 -2.444 11.676 15.419 745 HB2 LEU 90 2HB LEU 90 -1.115 11.311 13.489 746 HB3 LEU 90 1HB LEU 90 -2.065 12.434 12.519 747 HG LEU 90 HG LEU 90 0.268 13.208 13.367 748 HD11 LEU 90 1HD1 LEU 90 -1.939 14.556 12.575 749 HD12 LEU 90 2HD1 LEU 90 -0.442 15.358 13.048 750 HD13 LEU 90 3HD1 LEU 90 -1.763 15.204 14.206 751 HD21 LEU 90 3HD2 LEU 90 0.591 13.546 15.585 752 HD22 LEU 90 1HD2 LEU 90 -0.815 12.506 15.816 753 HD23 LEU 90 2HD2 LEU 90 -1.009 14.259 15.793 754 H ALA 91 H ALA 91 -2.742 13.434 16.753 755 HA ALA 91 HA ALA 91 -4.129 15.837 15.606 756 HB1 ALA 91 1HB ALA 91 -4.273 14.780 18.442 757 HB2 ALA 91 2HB ALA 91 -5.415 14.312 17.182 758 HB3 ALA 91 3HB ALA 91 -5.313 15.995 17.698 759 H TYR 92 H TYR 92 -3.679 16.883 18.516 760 HA TYR 92 HA TYR 92 -0.985 18.024 17.949 761 HB2 TYR 92 2HB TYR 92 -1.784 19.694 19.664 762 HB3 TYR 92 1HB TYR 92 -2.831 19.571 18.249 763 HD1 TYR 92 1HD TYR 92 -2.390 18.264 21.726 764 HD2 TYR 92 2HD TYR 92 -5.109 19.015 18.485 765 HE1 TYR 92 1HE TYR 92 -4.300 17.651 23.185 766 HE2 TYR 92 2HE TYR 92 -7.017 18.401 19.943 767 HH TYR 92 HH TYR 92 -7.145 18.441 22.915 768 HA PRO 93 HA PRO 93 0.746 15.757 21.316 769 HB2 PRO 93 2HB PRO 93 2.970 17.289 21.736 770 HB3 PRO 93 1HB PRO 93 2.797 16.202 20.344 771 HG2 PRO 93 2HG PRO 93 2.523 19.149 20.489 772 HG3 PRO 93 1HG PRO 93 3.132 18.132 19.176 773 HD2 PRO 93 2HD PRO 93 0.615 19.279 19.263 774 HD3 PRO 93 1HD PRO 93 1.071 17.888 18.258 775 H ILE 94 H ILE 94 2.040 18.865 22.280 776 HA ILE 94 HA ILE 94 0.481 18.701 24.814 777 HB ILE 94 HB ILE 94 2.993 18.807 24.764 778 HG12 ILE 94 2HG1 ILE 94 2.330 21.394 26.002 779 HG13 ILE 94 1HG1 ILE 94 1.227 20.093 26.451 780 HG21 ILE 94 1HG2 ILE 94 4.126 20.477 23.703 781 HG22 ILE 94 2HG2 ILE 94 2.938 21.700 24.151 782 HG23 ILE 94 3HG2 ILE 94 2.636 20.639 22.774 783 HD11 ILE 94 3HD1 ILE 94 4.175 19.553 26.482 784 HD12 ILE 94 1HD1 ILE 94 2.898 18.839 27.467 785 HD13 ILE 94 2HD1 ILE 94 3.466 20.471 27.811 786 H ALA 95 H ALA 95 -1.170 20.131 25.166 787 HA ALA 95 HA ALA 95 -1.107 22.868 24.143 788 HB1 ALA 95 1HB ALA 95 -2.726 20.670 22.872 789 HB2 ALA 95 2HB ALA 95 -1.787 21.943 22.093 790 HB3 ALA 95 3HB ALA 95 -3.333 22.325 22.849 791 H LYS 96 H LYS 96 -3.042 20.218 25.511 792 HA LYS 96 HA LYS 96 -4.177 22.145 27.484 793 HB2 LYS 96 2HB LYS 96 -5.519 21.278 25.214 794 HB3 LYS 96 1HB LYS 96 -6.097 20.174 26.462 795 HG2 LYS 96 2HG LYS 96 -7.549 21.837 26.986 796 HG3 LYS 96 1HG LYS 96 -6.162 22.589 27.773 797 HD2 LYS 96 2HD LYS 96 -5.950 24.182 26.160 798 HD3 LYS 96 1HD LYS 96 -6.328 23.052 24.861 799 HE2 LYS 96 2HE LYS 96 -8.450 23.833 24.778 800 HE3 LYS 96 1HE LYS 96 -8.679 23.438 26.493 801 HZ1 LYS 96 3HZ LYS 96 -7.434 25.890 25.372 802 HZ2 LYS 96 1HZ LYS 96 -7.384 25.479 27.016 803 HZ3 LYS 96 2HZ LYS 96 -8.876 25.793 26.263 Start of MODEL 12 1 H1 MET 1 1HT MET 1 -1.689 4.724 13.364 2 H2 MET 1 2HT MET 1 -2.579 5.915 12.541 3 H3 MET 1 3HT MET 1 -3.374 4.800 13.547 4 HA MET 1 HA MET 1 -3.268 6.799 14.786 5 HB2 MET 1 2HB MET 1 -1.213 4.678 15.441 6 HB3 MET 1 1HB MET 1 -1.575 5.993 16.559 7 HG2 MET 1 2HG MET 1 -3.225 4.637 17.325 8 HG3 MET 1 1HG MET 1 -4.093 5.114 15.866 9 HE1 MET 1 2HE MET 1 -4.056 1.253 17.107 10 HE2 MET 1 3HE MET 1 -3.898 2.807 17.921 11 HE3 MET 1 1HE MET 1 -2.472 1.795 17.655 12 H ASP 2 H ASP 2 0.147 6.130 15.126 13 HA ASP 2 HA ASP 2 0.877 8.898 14.822 14 HB2 ASP 2 2HB ASP 2 1.972 7.003 16.162 15 HB3 ASP 2 1HB ASP 2 2.693 6.488 14.638 16 HA PRO 3 HA PRO 3 2.489 7.581 10.565 17 HB2 PRO 3 2HB PRO 3 1.747 5.163 9.546 18 HB3 PRO 3 1HB PRO 3 3.160 5.369 10.594 19 HG2 PRO 3 2HG PRO 3 0.526 4.198 11.198 20 HG3 PRO 3 1HG PRO 3 2.101 3.886 11.939 21 HD2 PRO 3 2HD PRO 3 0.019 5.493 12.974 22 HD3 PRO 3 1HD PRO 3 1.674 5.345 13.604 23 H GLN 4 H GLN 4 -0.060 8.691 11.301 24 HA GLN 4 HA GLN 4 -2.449 8.228 10.250 25 HB2 GLN 4 2HB GLN 4 -1.434 10.667 8.952 26 HB3 GLN 4 1HB GLN 4 -2.729 10.483 10.123 27 HG2 GLN 4 2HG GLN 4 -1.070 11.808 11.197 28 HG3 GLN 4 1HG GLN 4 -0.904 10.198 11.891 29 HE21 GLN 4 1HE2 GLN 4 0.280 9.817 8.814 30 HE22 GLN 4 2HE2 GLN 4 1.915 10.165 9.094 31 H GLY 5 H GLY 5 -3.485 7.805 8.288 32 HA2 GLY 5 2HA GLY 5 -3.716 7.619 5.929 33 HA3 GLY 5 1HA GLY 5 -2.051 8.170 5.750 34 H TYR 6 H TYR 6 -1.153 6.090 7.766 35 HA TYR 6 HA TYR 6 -0.847 3.899 5.809 36 HB2 TYR 6 2HB TYR 6 1.132 4.642 6.913 37 HB3 TYR 6 1HB TYR 6 0.340 4.632 8.487 38 HD1 TYR 6 2HD TYR 6 -0.147 1.961 5.994 39 HD2 TYR 6 1HD TYR 6 1.944 3.139 9.557 40 HE1 TYR 6 2HE TYR 6 0.565 -0.386 6.351 41 HE2 TYR 6 1HE TYR 6 2.655 0.791 9.915 42 HH TYR 6 HH TYR 6 2.523 -1.299 9.194 43 H PHE 7 H PHE 7 -2.823 2.693 5.857 44 HA PHE 7 HA PHE 7 -3.208 1.072 8.248 45 HB2 PHE 7 2HB PHE 7 -5.671 1.600 8.139 46 HB3 PHE 7 1HB PHE 7 -4.670 2.950 8.650 47 HD1 PHE 7 1HD PHE 7 -3.800 4.486 6.695 48 HD2 PHE 7 2HD PHE 7 -7.212 1.905 6.424 49 HE1 PHE 7 1HE PHE 7 -4.667 5.842 4.806 50 HE2 PHE 7 2HE PHE 7 -8.085 3.253 4.534 51 HZ PHE 7 HZ PHE 7 -6.813 5.222 3.725 52 H LEU 8 H LEU 8 -2.272 0.621 5.449 53 HA LEU 8 HA LEU 8 -4.405 -1.216 4.531 54 HB2 LEU 8 2HB LEU 8 -2.231 0.078 2.882 55 HB3 LEU 8 1HB LEU 8 -3.614 -0.822 2.274 56 HG LEU 8 HG LEU 8 -4.301 1.380 1.963 57 HD11 LEU 8 1HD1 LEU 8 -5.639 -0.069 3.861 58 HD12 LEU 8 2HD1 LEU 8 -6.204 1.457 3.190 59 HD13 LEU 8 3HD1 LEU 8 -5.331 1.437 4.719 60 HD21 LEU 8 3HD2 LEU 8 -2.975 2.968 2.841 61 HD22 LEU 8 1HD2 LEU 8 -2.407 1.879 4.104 62 HD23 LEU 8 2HD2 LEU 8 -3.889 2.803 4.339 63 H TRP 9 H TRP 9 -3.884 -3.348 4.651 64 HA TRP 9 HA TRP 9 -0.984 -4.097 4.463 65 HB2 TRP 9 2HB TRP 9 -2.313 -4.200 6.755 66 HB3 TRP 9 1HB TRP 9 -2.987 -5.675 6.059 67 HD1 TRP 9 HD TRP 9 -0.483 -6.753 4.527 68 HE1 TRP 9 1HE TRP 9 1.551 -7.662 5.827 69 HE3 TRP 9 3HE TRP 9 -1.231 -4.473 9.034 70 HZ2 TRP 9 2HZ TRP 9 2.701 -7.452 8.439 71 HZ3 TRP 9 3HZ TRP 9 0.347 -4.844 10.908 72 HH2 TRP 9 HH TRP 9 2.310 -6.329 10.617 73 H TYR 10 H TYR 10 -0.773 -5.209 2.559 74 HA TYR 10 HA TYR 10 -3.011 -7.031 1.725 75 HB2 TYR 10 2HB TYR 10 -1.594 -4.809 0.419 76 HB3 TYR 10 1HB TYR 10 -1.690 -6.260 -0.577 77 HD1 TYR 10 1HD TYR 10 -4.079 -4.861 1.952 78 HD2 TYR 10 2HD TYR 10 -3.381 -5.895 -2.154 79 HE1 TYR 10 1HE TYR 10 -6.444 -4.339 1.421 80 HE2 TYR 10 2HE TYR 10 -5.745 -5.372 -2.688 81 HH TYR 10 HH TYR 10 -7.682 -4.629 -1.913 82 H GLN 11 H GLN 11 -2.375 -9.089 1.088 83 HA GLN 11 HA GLN 11 0.533 -9.651 0.975 84 HB2 GLN 11 2HB GLN 11 -1.662 -10.724 2.528 85 HB3 GLN 11 1HB GLN 11 -0.867 -12.000 1.606 86 HG2 GLN 11 2HG GLN 11 1.251 -10.489 2.579 87 HG3 GLN 11 1HG GLN 11 0.106 -10.504 3.920 88 HE21 GLN 11 1HE2 GLN 11 -1.039 -12.995 3.822 89 HE22 GLN 11 2HE2 GLN 11 0.137 -14.213 3.947 90 H VAL 12 H VAL 12 1.094 -11.467 -0.545 91 HA VAL 12 HA VAL 12 -1.009 -11.909 -2.635 92 HB VAL 12 HB VAL 12 0.739 -11.518 -4.327 93 HG11 VAL 12 1HG1 VAL 12 0.678 -9.284 -2.290 94 HG12 VAL 12 2HG1 VAL 12 -0.644 -9.644 -3.403 95 HG13 VAL 12 3HG1 VAL 12 0.921 -9.126 -4.031 96 HG21 VAL 12 3HG2 VAL 12 2.552 -12.210 -2.514 97 HG22 VAL 12 1HG2 VAL 12 2.580 -10.474 -2.205 98 HG23 VAL 12 2HG2 VAL 12 2.963 -11.090 -3.814 99 H GLU 13 H GLU 13 -0.216 -13.681 -4.201 100 HA GLU 13 HA GLU 13 1.241 -15.824 -2.698 101 HB2 GLU 13 2HB GLU 13 -0.429 -17.365 -3.567 102 HB3 GLU 13 1HB GLU 13 -1.263 -16.039 -2.766 103 HG2 GLU 13 2HG GLU 13 -2.323 -15.509 -4.676 104 HG3 GLU 13 1HG GLU 13 -0.779 -15.337 -5.514 105 H MET 14 H MET 14 2.735 -14.295 -4.375 106 HA MET 14 HA MET 14 3.011 -16.003 -6.824 107 HB2 MET 14 2HB MET 14 3.456 -13.008 -6.588 108 HB3 MET 14 1HB MET 14 3.478 -13.960 -8.072 109 HG2 MET 14 2HG MET 14 1.045 -13.899 -6.293 110 HG3 MET 14 1HG MET 14 1.312 -12.666 -7.525 111 HE1 MET 14 3HE MET 14 0.729 -14.165 -10.802 112 HE2 MET 14 1HE MET 14 2.257 -13.634 -10.088 113 HE3 MET 14 2HE MET 14 0.766 -12.764 -9.734 114 HA PRO 15 HA PRO 15 7.177 -16.507 -5.579 115 HB2 PRO 15 2HB PRO 15 8.457 -16.573 -7.991 116 HB3 PRO 15 1HB PRO 15 7.522 -17.909 -7.344 117 HG2 PRO 15 2HG PRO 15 6.777 -15.890 -9.387 118 HG3 PRO 15 1HG PRO 15 6.366 -17.611 -9.315 119 HD2 PRO 15 2HD PRO 15 4.620 -15.632 -8.648 120 HD3 PRO 15 1HD PRO 15 4.568 -17.260 -7.935 121 H GLU 16 H GLU 16 9.452 -15.778 -6.621 122 HA GLU 16 HA GLU 16 9.829 -13.038 -5.903 123 HB2 GLU 16 2HB GLU 16 11.420 -15.119 -6.036 124 HB3 GLU 16 1HB GLU 16 11.628 -14.633 -7.716 125 HG2 GLU 16 2HG GLU 16 13.388 -13.555 -6.511 126 HG3 GLU 16 1HG GLU 16 12.189 -12.301 -6.834 127 H ASP 17 H ASP 17 9.125 -14.752 -8.858 128 HA ASP 17 HA ASP 17 9.829 -12.793 -10.787 129 HB2 ASP 17 2HB ASP 17 9.128 -15.194 -11.132 130 HB3 ASP 17 1HB ASP 17 7.466 -14.693 -10.818 131 H ARG 18 H ARG 18 7.323 -12.847 -8.425 132 HA ARG 18 HA ARG 18 5.608 -10.886 -9.804 133 HB2 ARG 18 2HB ARG 18 4.069 -11.611 -8.271 134 HB3 ARG 18 1HB ARG 18 5.207 -12.930 -8.046 135 HG2 ARG 18 2HG ARG 18 4.936 -12.243 -5.840 136 HG3 ARG 18 1HG ARG 18 6.316 -11.257 -6.312 137 HD2 ARG 18 2HD ARG 18 4.394 -10.018 -5.127 138 HD3 ARG 18 1HD ARG 18 4.927 -9.324 -6.667 139 HE ARG 18 HE ARG 18 2.628 -11.237 -6.563 140 HH11 ARG 18 1HH1 ARG 18 2.174 -8.231 -6.105 141 HH12 ARG 18 2HH1 ARG 18 1.708 -7.729 -7.696 142 HH21 ARG 18 1HH2 ARG 18 2.860 -10.613 -9.235 143 HH22 ARG 18 2HH2 ARG 18 2.098 -9.075 -9.465 144 H VAL 19 H VAL 19 8.187 -10.934 -7.470 145 HA VAL 19 HA VAL 19 7.836 -8.621 -5.960 146 HB VAL 19 HB VAL 19 10.339 -9.647 -7.340 147 HG11 VAL 19 1HG1 VAL 19 10.260 -8.192 -4.709 148 HG12 VAL 19 2HG1 VAL 19 10.284 -7.279 -6.218 149 HG13 VAL 19 3HG1 VAL 19 11.606 -8.380 -5.834 150 HG21 VAL 19 3HG2 VAL 19 9.706 -10.204 -4.481 151 HG22 VAL 19 1HG2 VAL 19 10.512 -11.224 -5.673 152 HG23 VAL 19 2HG2 VAL 19 8.754 -11.071 -5.688 153 H ASN 20 H ASN 20 9.080 -8.841 -9.299 154 HA ASN 20 HA ASN 20 9.714 -6.098 -9.679 155 HB2 ASN 20 2HB ASN 20 10.301 -8.019 -11.160 156 HB3 ASN 20 1HB ASN 20 8.610 -8.125 -11.653 157 HD21 ASN 20 1HD2 ASN 20 11.573 -6.245 -12.006 158 HD22 ASN 20 2HD2 ASN 20 10.991 -5.210 -13.218 159 H ASP 21 H ASP 21 6.620 -7.791 -9.754 160 HA ASP 21 HA ASP 21 5.057 -5.849 -11.101 161 HB2 ASP 21 2HB ASP 21 4.496 -8.239 -10.453 162 HB3 ASP 21 1HB ASP 21 4.227 -7.650 -8.812 163 H LEU 22 H LEU 22 5.590 -6.340 -7.598 164 HA LEU 22 HA LEU 22 4.101 -4.077 -6.700 165 HB2 LEU 22 2HB LEU 22 6.429 -5.690 -5.651 166 HB3 LEU 22 1HB LEU 22 5.777 -4.338 -4.724 167 HG LEU 22 HG LEU 22 3.480 -5.429 -5.028 168 HD11 LEU 22 1HD1 LEU 22 5.320 -7.530 -6.130 169 HD12 LEU 22 2HD1 LEU 22 3.743 -7.007 -6.721 170 HD13 LEU 22 3HD1 LEU 22 3.854 -8.020 -5.282 171 HD21 LEU 22 3HD2 LEU 22 4.391 -5.567 -2.863 172 HD22 LEU 22 1HD2 LEU 22 5.733 -6.581 -3.391 173 HD23 LEU 22 2HD2 LEU 22 4.109 -7.258 -3.277 174 H ALA 23 H ALA 23 7.550 -4.399 -7.575 175 HA ALA 23 HA ALA 23 8.405 -1.789 -6.932 176 HB1 ALA 23 1HB ALA 23 10.257 -2.327 -8.380 177 HB2 ALA 23 2HB ALA 23 9.276 -3.472 -9.295 178 HB3 ALA 23 3HB ALA 23 9.740 -3.840 -7.634 179 H ARG 24 H ARG 24 7.124 -3.063 -10.024 180 HA ARG 24 HA ARG 24 7.156 -0.551 -11.382 181 HB2 ARG 24 2HB ARG 24 7.144 -2.492 -12.703 182 HB3 ARG 24 1HB ARG 24 5.914 -3.267 -11.706 183 HG2 ARG 24 2HG ARG 24 4.190 -2.220 -12.775 184 HG3 ARG 24 1HG ARG 24 5.121 -0.751 -13.063 185 HD2 ARG 24 2HD ARG 24 6.504 -2.190 -14.730 186 HD3 ARG 24 1HD ARG 24 5.137 -3.320 -14.651 187 HE ARG 24 HE ARG 24 3.669 -1.388 -15.323 188 HH11 ARG 24 1HH2 ARG 24 6.688 -0.071 -14.984 189 HH12 ARG 24 2HH2 ARG 24 6.786 0.615 -16.571 190 HH21 ARG 24 1HH1 ARG 24 3.944 -1.002 -17.730 191 HH22 ARG 24 2HH1 ARG 24 5.231 0.088 -18.128 192 H GLU 25 H GLU 25 4.589 -2.408 -9.739 193 HA GLU 25 HA GLU 25 2.442 -0.608 -10.155 194 HB2 GLU 25 2HB GLU 25 2.224 -2.908 -9.344 195 HB3 GLU 25 1HB GLU 25 3.110 -2.502 -7.884 196 HG2 GLU 25 2HG GLU 25 0.499 -2.564 -7.791 197 HG3 GLU 25 1HG GLU 25 1.349 -1.237 -7.002 198 H LEU 26 H LEU 26 4.723 -0.919 -7.451 199 HA LEU 26 HA LEU 26 3.797 1.142 -5.767 200 HB2 LEU 26 2HB LEU 26 6.544 0.065 -6.447 201 HB3 LEU 26 1HB LEU 26 6.298 1.246 -5.161 202 HG LEU 26 HG LEU 26 4.655 -1.275 -5.247 203 HD11 LEU 26 1HD1 LEU 26 7.315 -0.972 -3.827 204 HD12 LEU 26 2HD1 LEU 26 7.117 -1.842 -5.347 205 HD13 LEU 26 3HD1 LEU 26 6.299 -2.412 -3.893 206 HD21 LEU 26 3HD2 LEU 26 5.437 -0.396 -2.646 207 HD22 LEU 26 1HD2 LEU 26 3.826 -0.358 -3.365 208 HD23 LEU 26 2HD2 LEU 26 4.909 1.020 -3.554 209 H ARG 27 H ARG 27 5.895 1.318 -8.622 210 HA ARG 27 HA ARG 27 6.592 4.080 -8.436 211 HB2 ARG 27 2HB ARG 27 7.895 2.823 -9.883 212 HB3 ARG 27 1HB ARG 27 6.517 1.898 -10.481 213 HG2 ARG 27 2HG ARG 27 7.329 3.398 -12.230 214 HG3 ARG 27 1HG ARG 27 5.730 3.912 -11.695 215 HD2 ARG 27 2HD ARG 27 6.571 5.776 -10.534 216 HD3 ARG 27 1HD ARG 27 8.201 5.083 -10.420 217 HE ARG 27 HE ARG 27 8.128 5.281 -13.035 218 HH11 ARG 27 1HH2 ARG 27 5.602 6.995 -11.745 219 HH12 ARG 27 2HH2 ARG 27 6.088 8.545 -12.347 220 HH21 ARG 27 1HH1 ARG 27 9.205 7.453 -13.404 221 HH22 ARG 27 2HH1 ARG 27 8.126 8.804 -13.288 222 H ILE 28 H ILE 28 3.756 2.447 -9.849 223 HA ILE 28 HA ILE 28 2.720 4.632 -11.326 224 HB ILE 28 HB ILE 28 1.114 2.532 -9.854 225 HG12 ILE 28 2HG1 ILE 28 2.794 2.276 -12.365 226 HG13 ILE 28 1HG1 ILE 28 2.865 1.275 -10.915 227 HG21 ILE 28 1HG2 ILE 28 -0.408 2.773 -11.708 228 HG22 ILE 28 2HG2 ILE 28 0.744 3.779 -12.587 229 HG23 ILE 28 3HG2 ILE 28 -0.026 4.392 -11.123 230 HD11 ILE 28 3HD1 ILE 28 1.114 1.028 -13.227 231 HD12 ILE 28 1HD1 ILE 28 0.196 1.115 -11.722 232 HD13 ILE 28 2HD1 ILE 28 1.429 -0.130 -11.936 233 H ARG 29 H ARG 29 2.165 3.576 -7.984 234 HA ARG 29 HA ARG 29 0.287 5.657 -7.312 235 HB2 ARG 29 2HB ARG 29 2.169 4.011 -5.596 236 HB3 ARG 29 1HB ARG 29 0.692 4.795 -5.058 237 HG2 ARG 29 2HG ARG 29 -0.641 3.172 -5.925 238 HG3 ARG 29 1HG ARG 29 0.338 3.029 -7.386 239 HD2 ARG 29 2HD ARG 29 0.584 0.945 -6.188 240 HD3 ARG 29 1HD ARG 29 2.089 1.848 -5.928 241 HE ARG 29 HE ARG 29 -0.147 2.058 -3.956 242 HH11 ARG 29 1HH1 ARG 29 2.977 2.966 -4.301 243 HH12 ARG 29 2HH1 ARG 29 3.595 2.154 -2.902 244 HH21 ARG 29 1HH2 ARG 29 0.712 0.306 -2.369 245 HH22 ARG 29 2HH2 ARG 29 2.317 0.645 -1.814 246 H ASP 30 H ASP 30 1.643 7.492 -8.301 247 HA ASP 30 HA ASP 30 4.137 8.327 -7.158 248 HB2 ASP 30 2HB ASP 30 1.869 9.684 -8.628 249 HB3 ASP 30 1HB ASP 30 3.331 10.557 -8.165 250 H ASN 31 H ASN 31 0.761 9.006 -6.292 251 HA ASN 31 HA ASN 31 1.213 11.071 -4.369 252 HB2 ASN 31 2HB ASN 31 -1.045 10.480 -3.648 253 HB3 ASN 31 1HB ASN 31 -0.959 10.348 -5.405 254 HD21 ASN 31 1HD2 ASN 31 -1.234 8.258 -6.348 255 HD22 ASN 31 2HD2 ASN 31 -1.569 6.868 -5.434 256 H VAL 32 H VAL 32 2.028 7.763 -4.316 257 HA VAL 32 HA VAL 32 1.841 7.325 -1.440 258 HB VAL 32 HB VAL 32 1.949 5.816 -3.722 259 HG11 VAL 32 1HG1 VAL 32 4.648 5.461 -2.386 260 HG12 VAL 32 2HG1 VAL 32 4.405 6.258 -3.941 261 HG13 VAL 32 3HG1 VAL 32 4.020 4.548 -3.758 262 HG21 VAL 32 3HG2 VAL 32 1.630 5.424 -0.996 263 HG22 VAL 32 1HG2 VAL 32 2.936 4.320 -1.422 264 HG23 VAL 32 2HG2 VAL 32 1.382 4.210 -2.251 265 H ARG 33 H ARG 33 3.323 8.097 0.027 266 HA ARG 33 HA ARG 33 5.770 9.406 -0.873 267 HB2 ARG 33 2HB ARG 33 3.999 9.561 1.248 268 HB3 ARG 33 1HB ARG 33 5.450 8.883 1.989 269 HG2 ARG 33 2HG ARG 33 6.573 10.802 0.443 270 HG3 ARG 33 1HG ARG 33 5.017 11.559 0.783 271 HD2 ARG 33 2HD ARG 33 5.727 12.097 2.863 272 HD3 ARG 33 1HD ARG 33 6.026 10.383 3.213 273 HE ARG 33 HE ARG 33 8.106 11.326 1.506 274 HH11 ARG 33 1HH1 ARG 33 8.055 13.688 3.271 275 HH12 ARG 33 2HH1 ARG 33 9.064 13.209 4.596 276 HH21 ARG 33 1HH2 ARG 33 8.915 9.829 3.831 277 HH22 ARG 33 2HH2 ARG 33 9.552 11.024 4.912 278 H ARG 34 H ARG 34 5.130 6.478 1.173 279 HA ARG 34 HA ARG 34 7.730 5.400 0.243 280 HB2 ARG 34 2HB ARG 34 8.592 5.213 2.529 281 HB3 ARG 34 1HB ARG 34 8.202 6.896 2.177 282 HG2 ARG 34 2HG ARG 34 5.954 6.510 3.260 283 HG3 ARG 34 1HG ARG 34 6.545 4.930 3.775 284 HD2 ARG 34 2HD ARG 34 8.497 6.977 4.420 285 HD3 ARG 34 1HD ARG 34 6.919 7.369 5.133 286 HE ARG 34 HE ARG 34 7.153 4.676 5.636 287 HH11 ARG 34 1HH1 ARG 34 10.011 6.340 5.489 288 HH12 ARG 34 2HH1 ARG 34 10.434 6.155 7.158 289 HH21 ARG 34 1HH2 ARG 34 7.343 4.888 8.079 290 HH22 ARG 34 2HH2 ARG 34 8.926 5.333 8.623 291 H VAL 35 H VAL 35 7.711 3.169 0.223 292 HA VAL 35 HA VAL 35 5.527 1.767 1.714 293 HB VAL 35 HB VAL 35 4.936 2.224 -0.675 294 HG11 VAL 35 1HG1 VAL 35 7.542 1.886 -1.212 295 HG12 VAL 35 2HG1 VAL 35 6.297 1.610 -2.431 296 HG13 VAL 35 3HG1 VAL 35 6.989 0.247 -1.552 297 HG21 VAL 35 3HG2 VAL 35 5.457 -0.711 -0.600 298 HG22 VAL 35 1HG2 VAL 35 3.957 0.155 -0.933 299 HG23 VAL 35 2HG2 VAL 35 4.515 -0.037 0.729 300 H MET 36 H MET 36 6.266 -0.116 2.692 301 HA MET 36 HA MET 36 8.997 -1.030 1.997 302 HB2 MET 36 2HB MET 36 7.474 -0.741 4.572 303 HB3 MET 36 1HB MET 36 8.837 -1.857 4.471 304 HG2 MET 36 2HG MET 36 10.197 0.084 3.535 305 HG3 MET 36 1HG MET 36 8.860 1.132 4.006 306 HE1 MET 36 3HE MET 36 11.682 -1.330 6.582 307 HE2 MET 36 1HE MET 36 12.262 -0.247 5.309 308 HE3 MET 36 2HE MET 36 11.184 -1.582 4.912 309 H VAL 37 H VAL 37 8.869 -2.951 0.903 310 HA VAL 37 HA VAL 37 6.656 -4.836 1.636 311 HB VAL 37 HB VAL 37 8.234 -4.398 -0.919 312 HG11 VAL 37 1HG1 VAL 37 7.701 -6.608 -1.208 313 HG12 VAL 37 2HG1 VAL 37 6.132 -5.933 -1.647 314 HG13 VAL 37 3HG1 VAL 37 6.399 -6.557 -0.019 315 HG21 VAL 37 3HG2 VAL 37 5.267 -4.057 -0.542 316 HG22 VAL 37 1HG2 VAL 37 6.322 -3.321 -1.749 317 HG23 VAL 37 2HG2 VAL 37 6.369 -2.760 -0.076 318 H VAL 38 H VAL 38 7.289 -6.746 2.548 319 HA VAL 38 HA VAL 38 10.172 -7.535 2.342 320 HB VAL 38 HB VAL 38 9.868 -8.423 4.563 321 HG11 VAL 38 1HG1 VAL 38 9.819 -5.806 4.055 322 HG12 VAL 38 2HG1 VAL 38 9.637 -6.420 5.698 323 HG13 VAL 38 3HG1 VAL 38 8.214 -5.943 4.772 324 HG21 VAL 38 3HG2 VAL 38 7.750 -9.478 4.477 325 HG22 VAL 38 1HG2 VAL 38 6.945 -8.003 3.944 326 HG23 VAL 38 2HG2 VAL 38 7.513 -8.144 5.607 327 H ALA 39 H ALA 39 10.594 -9.547 1.473 328 HA ALA 39 HA ALA 39 8.357 -11.122 0.400 329 HB1 ALA 39 1HB ALA 39 10.108 -12.297 -0.751 330 HB2 ALA 39 2HB ALA 39 11.328 -11.706 0.380 331 HB3 ALA 39 3HB ALA 39 10.557 -10.591 -0.751 332 H SER 40 H SER 40 8.002 -13.361 0.925 333 HA SER 40 HA SER 40 8.306 -13.995 3.745 334 HB2 SER 40 2HB SER 40 7.096 -15.155 1.285 335 HB3 SER 40 1HB SER 40 7.458 -16.288 2.583 336 HG SER 40 HG SER 40 6.125 -15.183 3.924 337 H THR 41 H THR 41 9.597 -15.690 4.639 338 HA THR 41 HA THR 41 12.180 -16.083 3.359 339 HB THR 41 HB THR 41 12.556 -17.422 5.455 340 HG1 THR 41 1HG THR 41 10.467 -16.854 6.839 341 HG21 THR 41 3HG2 THR 41 12.989 -15.449 6.449 342 HG22 THR 41 1HG2 THR 41 11.268 -15.115 6.638 343 HG23 THR 41 2HG2 THR 41 12.094 -14.663 5.148 344 H THR 42 H THR 42 9.289 -17.551 2.709 345 HA THR 42 HA THR 42 10.666 -19.953 1.660 346 HB THR 42 HB THR 42 8.628 -19.847 3.854 347 HG1 THR 42 1HG THR 42 9.957 -21.448 4.645 348 HG21 THR 42 3HG2 THR 42 8.906 -22.174 1.932 349 HG22 THR 42 1HG2 THR 42 7.512 -21.099 2.014 350 HG23 THR 42 2HG2 THR 42 7.905 -22.137 3.384 351 HA PRO 43 HA PRO 43 6.427 -19.726 -0.469 352 HB2 PRO 43 2HB PRO 43 4.498 -18.064 0.528 353 HB3 PRO 43 1HB PRO 43 4.704 -19.740 1.075 354 HG2 PRO 43 2HG PRO 43 5.596 -17.207 2.361 355 HG3 PRO 43 1HG PRO 43 4.928 -18.672 3.097 356 HD2 PRO 43 2HD PRO 43 7.582 -18.078 3.099 357 HD3 PRO 43 1HD PRO 43 6.948 -19.736 3.133 358 H GLY 44 H GLY 44 5.149 -17.907 -1.771 359 HA2 GLY 44 2HA GLY 44 7.051 -15.720 -2.260 360 HA3 GLY 44 1HA GLY 44 5.869 -16.301 -3.425 361 H ARG 45 H ARG 45 5.170 -15.699 -0.044 362 HA ARG 45 HA ARG 45 3.065 -13.763 -0.841 363 HB2 ARG 45 2HB ARG 45 3.734 -15.564 1.421 364 HB3 ARG 45 1HB ARG 45 2.886 -14.080 1.857 365 HG2 ARG 45 2HG ARG 45 0.985 -14.656 0.689 366 HG3 ARG 45 1HG ARG 45 1.871 -15.630 -0.483 367 HD2 ARG 45 2HD ARG 45 2.351 -17.003 1.862 368 HD3 ARG 45 1HD ARG 45 0.681 -16.445 2.085 369 HE ARG 45 HE ARG 45 0.525 -17.319 -0.451 370 HH11 ARG 45 1HH2 ARG 45 -0.159 -19.058 2.016 371 HH12 ARG 45 2HH2 ARG 45 0.670 -20.523 1.602 372 HH21 ARG 45 1HH1 ARG 45 2.583 -19.047 -0.887 373 HH22 ARG 45 2HH1 ARG 45 2.223 -20.516 -0.042 374 H TYR 46 H TYR 46 3.247 -11.555 -0.434 375 HA TYR 46 HA TYR 46 5.616 -10.677 1.188 376 HB2 TYR 46 2HB TYR 46 4.250 -9.378 -1.167 377 HB3 TYR 46 1HB TYR 46 5.629 -8.724 -0.312 378 HD1 TYR 46 1HD TYR 46 4.520 -11.767 -2.184 379 HD2 TYR 46 2HD TYR 46 7.801 -9.305 -0.918 380 HE1 TYR 46 1HE TYR 46 6.069 -13.112 -3.578 381 HE2 TYR 46 2HE TYR 46 9.348 -10.645 -2.304 382 HH TYR 46 HH TYR 46 8.242 -12.888 -4.650 383 H GLU 47 H GLU 47 5.317 -8.864 2.490 384 HA GLU 47 HA GLU 47 2.477 -8.236 3.193 385 HB2 GLU 47 2HB GLU 47 5.035 -7.833 4.772 386 HB3 GLU 47 1HB GLU 47 3.390 -7.706 5.384 387 HG2 GLU 47 2HG GLU 47 3.373 -10.212 4.261 388 HG3 GLU 47 1HG GLU 47 5.018 -10.105 4.888 389 H VAL 48 H VAL 48 2.040 -6.461 1.796 390 HA VAL 48 HA VAL 48 4.019 -4.292 1.548 391 HB VAL 48 HB VAL 48 2.389 -3.390 -0.033 392 HG11 VAL 48 1HG1 VAL 48 3.741 -5.742 -0.314 393 HG12 VAL 48 2HG1 VAL 48 2.819 -4.977 -1.608 394 HG13 VAL 48 3HG1 VAL 48 2.091 -6.267 -0.650 395 HG21 VAL 48 3HG2 VAL 48 0.266 -4.882 -0.345 396 HG22 VAL 48 1HG2 VAL 48 0.281 -3.697 0.961 397 HG23 VAL 48 2HG2 VAL 48 0.589 -5.396 1.309 398 H ASN 49 H ASN 49 4.108 -2.657 2.981 399 HA ASN 49 HA ASN 49 1.634 -1.756 4.371 400 HB2 ASN 49 2HB ASN 49 3.249 -1.363 6.319 401 HB3 ASN 49 1HB ASN 49 2.910 -3.053 5.957 402 HD21 ASN 49 1HD2 ASN 49 4.605 -4.276 4.777 403 HD22 ASN 49 2HD2 ASN 49 6.213 -3.733 4.788 404 H ILE 50 H ILE 50 1.394 0.113 3.178 405 HA ILE 50 HA ILE 50 3.798 1.869 2.831 406 HB ILE 50 HB ILE 50 2.376 0.854 0.914 407 HG12 ILE 50 2HG1 ILE 50 4.055 2.833 0.870 408 HG13 ILE 50 1HG1 ILE 50 2.931 2.672 -0.475 409 HG21 ILE 50 1HG2 ILE 50 0.185 1.431 1.918 410 HG22 ILE 50 2HG2 ILE 50 0.378 2.142 0.316 411 HG23 ILE 50 3HG2 ILE 50 0.573 3.144 1.754 412 HD11 ILE 50 3HD1 ILE 50 2.536 4.488 1.920 413 HD12 ILE 50 1HD1 ILE 50 1.431 4.328 0.562 414 HD13 ILE 50 2HD1 ILE 50 3.039 5.010 0.320 415 H VAL 51 H VAL 51 3.757 3.980 3.589 416 HA VAL 51 HA VAL 51 1.290 4.843 5.072 417 HB VAL 51 HB VAL 51 3.258 4.401 6.488 418 HG11 VAL 51 1HG1 VAL 51 5.276 5.945 6.104 419 HG12 VAL 51 2HG1 VAL 51 4.595 6.252 4.507 420 HG13 VAL 51 3HG1 VAL 51 5.072 4.617 4.961 421 HG21 VAL 51 3HG2 VAL 51 3.520 7.282 6.608 422 HG22 VAL 51 1HG2 VAL 51 2.700 6.199 7.733 423 HG23 VAL 51 2HG2 VAL 51 1.836 6.837 6.333 424 H LEU 52 H LEU 52 0.668 7.096 4.743 425 HA LEU 52 HA LEU 52 2.181 8.511 2.574 426 HB2 LEU 52 2HB LEU 52 -0.822 8.191 2.683 427 HB3 LEU 52 1HB LEU 52 0.132 8.852 1.358 428 HG LEU 52 HG LEU 52 1.311 6.519 1.371 429 HD11 LEU 52 1HD1 LEU 52 -1.164 5.220 2.113 430 HD12 LEU 52 2HD1 LEU 52 -0.552 6.171 3.466 431 HD13 LEU 52 3HD1 LEU 52 0.463 4.932 2.728 432 HD21 LEU 52 3HD2 LEU 52 -0.509 7.613 -0.232 433 HD22 LEU 52 1HD2 LEU 52 -1.536 6.354 0.452 434 HD23 LEU 52 2HD2 LEU 52 -0.058 5.918 -0.406 435 H ASN 53 H ASN 53 0.298 10.528 2.257 436 HA ASN 53 HA ASN 53 1.002 12.600 3.878 437 HB2 ASN 53 2HB ASN 53 -1.826 11.999 2.950 438 HB3 ASN 53 1HB ASN 53 -1.133 13.598 3.230 439 HD21 ASN 53 1HD2 ASN 53 -1.226 10.879 0.975 440 HD22 ASN 53 2HD2 ASN 53 -0.314 11.617 -0.254 441 HA PRO 54 HA PRO 54 -0.346 12.009 7.983 442 HB2 PRO 54 2HB PRO 54 -1.342 14.482 8.642 443 HB3 PRO 54 1HB PRO 54 0.392 14.126 8.493 444 HG2 PRO 54 2HG PRO 54 -1.456 15.388 6.515 445 HG3 PRO 54 1HG PRO 54 0.201 15.839 6.956 446 HD2 PRO 54 2HD PRO 54 -0.335 14.461 4.711 447 HD3 PRO 54 1HD PRO 54 1.147 14.177 5.654 448 H ASN 55 H ASN 55 -2.697 12.972 5.604 449 HA ASN 55 HA ASN 55 -4.812 11.699 7.271 450 HB2 ASN 55 2HB ASN 55 -4.755 14.157 7.691 451 HB3 ASN 55 1HB ASN 55 -5.012 14.429 5.967 452 HD21 ASN 55 1HD2 ASN 55 -6.877 15.266 8.062 453 HD22 ASN 55 2HD2 ASN 55 -8.323 14.413 7.811 454 H LEU 56 H LEU 56 -4.435 10.020 5.508 455 HA LEU 56 HA LEU 56 -4.968 10.626 2.741 456 HB2 LEU 56 2HB LEU 56 -4.977 8.162 4.481 457 HB3 LEU 56 1HB LEU 56 -5.378 8.073 2.766 458 HG LEU 56 HG LEU 56 -2.793 9.057 3.992 459 HD11 LEU 56 1HD1 LEU 56 -3.774 6.576 2.844 460 HD12 LEU 56 2HD1 LEU 56 -2.270 6.889 3.711 461 HD13 LEU 56 3HD1 LEU 56 -2.361 7.174 1.974 462 HD21 LEU 56 3HD2 LEU 56 -2.165 9.249 1.484 463 HD22 LEU 56 1HD2 LEU 56 -3.152 10.537 2.173 464 HD23 LEU 56 2HD2 LEU 56 -3.903 9.282 1.189 465 H ASP 57 H ASP 57 -6.892 8.820 1.956 466 HA ASP 57 HA ASP 57 -9.378 8.988 3.409 467 HB2 ASP 57 2HB ASP 57 -9.222 11.339 2.980 468 HB3 ASP 57 1HB ASP 57 -8.758 11.069 1.303 469 H GLN 58 H GLN 58 -11.261 8.464 1.890 470 HA GLN 58 HA GLN 58 -10.804 6.123 0.417 471 HB2 GLN 58 2HB GLN 58 -12.947 8.178 0.680 472 HB3 GLN 58 1HB GLN 58 -13.096 7.028 -0.649 473 HG2 GLN 58 2HG GLN 58 -12.361 5.441 1.519 474 HG3 GLN 58 1HG GLN 58 -13.491 6.605 2.211 475 HE21 GLN 58 1HE2 GLN 58 -14.169 3.817 1.890 476 HE22 GLN 58 2HE2 GLN 58 -15.415 3.712 0.742 477 H SER 59 H SER 59 -10.847 9.496 -0.675 478 HA SER 59 HA SER 59 -10.790 8.958 -3.479 479 HB2 SER 59 2HB SER 59 -9.778 11.313 -1.860 480 HB3 SER 59 1HB SER 59 -10.129 11.337 -3.586 481 HG SER 59 HG SER 59 -12.226 11.277 -3.174 482 H GLN 60 H GLN 60 -8.238 9.496 -1.066 483 HA GLN 60 HA GLN 60 -6.048 9.412 -2.952 484 HB2 GLN 60 2HB GLN 60 -6.411 9.136 0.032 485 HB3 GLN 60 1HB GLN 60 -4.821 8.960 -0.703 486 HG2 GLN 60 2HG GLN 60 -6.564 11.354 -1.281 487 HG3 GLN 60 1HG GLN 60 -5.486 11.313 0.115 488 HE21 GLN 60 1HE2 GLN 60 -3.327 11.884 -0.265 489 HE22 GLN 60 2HE2 GLN 60 -2.621 12.007 -1.804 490 H LEU 61 H LEU 61 -7.495 6.978 -0.765 491 HA LEU 61 HA LEU 61 -5.695 4.856 -1.505 492 HB2 LEU 61 2HB LEU 61 -8.420 5.064 -0.246 493 HB3 LEU 61 1HB LEU 61 -7.753 3.486 -0.672 494 HG LEU 61 HG LEU 61 -7.299 4.379 1.720 495 HD11 LEU 61 1HD1 LEU 61 -4.917 3.496 1.591 496 HD12 LEU 61 2HD1 LEU 61 -5.145 3.383 -0.154 497 HD13 LEU 61 3HD1 LEU 61 -6.158 2.430 0.932 498 HD21 LEU 61 3HD2 LEU 61 -6.624 6.662 0.962 499 HD22 LEU 61 1HD2 LEU 61 -5.220 5.952 0.165 500 HD23 LEU 61 2HD2 LEU 61 -5.372 5.871 1.921 501 H ALA 62 H ALA 62 -8.775 6.017 -2.849 502 HA ALA 62 HA ALA 62 -9.440 3.869 -4.513 503 HB1 ALA 62 1HB ALA 62 -10.982 5.416 -5.129 504 HB2 ALA 62 2HB ALA 62 -9.730 6.403 -5.883 505 HB3 ALA 62 3HB ALA 62 -10.102 6.607 -4.170 506 H LEU 63 H LEU 63 -6.988 6.380 -4.865 507 HA LEU 63 HA LEU 63 -6.185 5.638 -7.524 508 HB2 LEU 63 2HB LEU 63 -5.102 7.262 -5.229 509 HB3 LEU 63 1HB LEU 63 -4.127 7.004 -6.672 510 HG LEU 63 HG LEU 63 -6.903 8.215 -6.604 511 HD11 LEU 63 1HD1 LEU 63 -5.527 9.943 -5.886 512 HD12 LEU 63 2HD1 LEU 63 -5.409 10.145 -7.634 513 HD13 LEU 63 3HD1 LEU 63 -4.122 9.322 -6.753 514 HD21 LEU 63 3HD2 LEU 63 -6.986 7.566 -8.767 515 HD22 LEU 63 1HD2 LEU 63 -5.313 7.010 -8.729 516 HD23 LEU 63 2HD2 LEU 63 -5.672 8.703 -9.071 517 H GLU 64 H GLU 64 -4.821 5.031 -4.267 518 HA GLU 64 HA GLU 64 -2.731 3.292 -5.216 519 HB2 GLU 64 2HB GLU 64 -4.127 3.461 -2.521 520 HB3 GLU 64 1HB GLU 64 -2.541 2.747 -2.816 521 HG2 GLU 64 2HG GLU 64 -1.512 4.780 -3.017 522 HG3 GLU 64 1HG GLU 64 -2.912 5.525 -3.792 523 H LYS 65 H LYS 65 -6.070 2.738 -4.145 524 HA LYS 65 HA LYS 65 -5.855 -0.161 -4.155 525 HB2 LYS 65 2HB LYS 65 -7.762 1.912 -3.539 526 HB3 LYS 65 1HB LYS 65 -8.537 0.698 -4.553 527 HG2 LYS 65 2HG LYS 65 -8.788 0.045 -2.223 528 HG3 LYS 65 1HG LYS 65 -7.668 -1.071 -3.006 529 HD2 LYS 65 2HD LYS 65 -6.039 1.008 -2.097 530 HD3 LYS 65 1HD LYS 65 -7.194 0.757 -0.789 531 HE2 LYS 65 2HE LYS 65 -6.398 -1.823 -1.728 532 HE3 LYS 65 1HE LYS 65 -4.931 -0.862 -1.454 533 HZ1 LYS 65 3HZ LYS 65 -6.037 -0.118 0.672 534 HZ2 LYS 65 1HZ LYS 65 -5.506 -1.729 0.642 535 HZ3 LYS 65 2HZ LYS 65 -7.155 -1.375 0.437 536 H GLU 66 H GLU 66 -7.169 2.238 -6.474 537 HA GLU 66 HA GLU 66 -7.933 0.271 -8.417 538 HB2 GLU 66 2HB GLU 66 -7.398 3.245 -8.452 539 HB3 GLU 66 1HB GLU 66 -7.961 2.377 -9.880 540 HG2 GLU 66 2HG GLU 66 -9.882 1.508 -8.469 541 HG3 GLU 66 1HG GLU 66 -9.378 2.647 -7.219 542 H ILE 67 H ILE 67 -5.024 2.253 -7.918 543 HA ILE 67 HA ILE 67 -3.733 1.384 -10.367 544 HB ILE 67 HB ILE 67 -2.755 2.734 -7.833 545 HG12 ILE 67 2HG1 ILE 67 -4.567 3.966 -8.944 546 HG13 ILE 67 1HG1 ILE 67 -3.042 4.806 -9.216 547 HG21 ILE 67 1HG2 ILE 67 -1.455 1.979 -10.382 548 HG22 ILE 67 2HG2 ILE 67 -0.739 2.288 -8.801 549 HG23 ILE 67 3HG2 ILE 67 -1.171 3.636 -9.852 550 HD11 ILE 67 3HD1 ILE 67 -3.095 3.083 -11.325 551 HD12 ILE 67 1HD1 ILE 67 -3.702 4.738 -11.390 552 HD13 ILE 67 2HD1 ILE 67 -4.815 3.401 -11.099 553 H ILE 68 H ILE 68 -3.515 0.423 -6.923 554 HA ILE 68 HA ILE 68 -1.274 -1.361 -7.311 555 HB ILE 68 HB ILE 68 -3.464 -1.081 -5.239 556 HG12 ILE 68 2HG1 ILE 68 -0.485 -0.512 -5.127 557 HG13 ILE 68 1HG1 ILE 68 -1.711 0.710 -5.466 558 HG21 ILE 68 1HG2 ILE 68 -2.752 -3.414 -5.234 559 HG22 ILE 68 2HG2 ILE 68 -2.068 -2.594 -3.830 560 HG23 ILE 68 3HG2 ILE 68 -1.058 -2.925 -5.237 561 HD11 ILE 68 3HD1 ILE 68 -2.776 -0.323 -3.227 562 HD12 ILE 68 1HD1 ILE 68 -1.592 0.983 -3.186 563 HD13 ILE 68 2HD1 ILE 68 -1.079 -0.681 -2.908 564 H GLN 69 H GLN 69 -4.804 -1.914 -7.114 565 HA GLN 69 HA GLN 69 -4.760 -4.736 -7.448 566 HB2 GLN 69 2HB GLN 69 -6.714 -2.520 -8.078 567 HB3 GLN 69 1HB GLN 69 -7.120 -4.208 -8.392 568 HG2 GLN 69 2HG GLN 69 -6.220 -4.487 -5.885 569 HG3 GLN 69 1HG GLN 69 -6.736 -2.803 -5.787 570 HE21 GLN 69 1HE2 GLN 69 -8.551 -3.425 -4.369 571 HE22 GLN 69 2HE2 GLN 69 -9.920 -4.202 -5.005 572 H ARG 70 H ARG 70 -4.782 -2.107 -9.865 573 HA ARG 70 HA ARG 70 -5.187 -3.667 -12.181 574 HB2 ARG 70 2HB ARG 70 -4.327 -1.012 -11.412 575 HB3 ARG 70 1HB ARG 70 -3.415 -1.575 -12.814 576 HG2 ARG 70 2HG ARG 70 -5.867 -2.382 -13.566 577 HG3 ARG 70 1HG ARG 70 -6.329 -1.016 -12.550 578 HD2 ARG 70 2HD ARG 70 -4.176 -0.045 -14.059 579 HD3 ARG 70 1HD ARG 70 -5.145 -0.988 -15.209 580 HE ARG 70 HE ARG 70 -6.737 0.712 -13.432 581 HH11 ARG 70 1HH1 ARG 70 -4.705 2.320 -15.133 582 HH12 ARG 70 2HH1 ARG 70 -5.705 2.748 -16.481 583 HH21 ARG 70 1HH2 ARG 70 -8.175 0.435 -15.725 584 HH22 ARG 70 2HH2 ARG 70 -7.669 1.681 -16.816 585 H ALA 71 H ALA 71 -2.112 -2.793 -10.556 586 HA ALA 71 HA ALA 71 -0.424 -4.101 -12.457 587 HB1 ALA 71 1HB ALA 71 -0.260 -2.910 -9.746 588 HB2 ALA 71 2HB ALA 71 0.752 -2.619 -11.161 589 HB3 ALA 71 3HB ALA 71 1.018 -4.050 -10.166 590 H LEU 72 H LEU 72 -1.604 -5.119 -9.244 591 HA LEU 72 HA LEU 72 -0.380 -7.655 -9.144 592 HB2 LEU 72 2HB LEU 72 -3.025 -6.641 -8.064 593 HB3 LEU 72 1HB LEU 72 -2.223 -8.111 -7.510 594 HG LEU 72 HG LEU 72 -0.738 -5.496 -7.515 595 HD11 LEU 72 1HD1 LEU 72 -1.497 -5.098 -5.215 596 HD12 LEU 72 2HD1 LEU 72 -2.537 -6.521 -5.297 597 HD13 LEU 72 3HD1 LEU 72 -2.880 -5.120 -6.311 598 HD21 LEU 72 3HD2 LEU 72 -0.081 -8.122 -6.897 599 HD22 LEU 72 1HD2 LEU 72 -0.407 -7.408 -5.318 600 HD23 LEU 72 2HD2 LEU 72 0.813 -6.694 -6.374 601 H GLU 73 H GLU 73 -3.484 -6.674 -10.545 602 HA GLU 73 HA GLU 73 -4.363 -9.316 -11.229 603 HB2 GLU 73 2HB GLU 73 -5.303 -6.636 -11.268 604 HB3 GLU 73 1HB GLU 73 -5.465 -7.254 -12.910 605 HG2 GLU 73 2HG GLU 73 -6.612 -8.438 -10.372 606 HG3 GLU 73 1HG GLU 73 -7.496 -7.822 -11.768 607 H ASN 74 H ASN 74 -2.845 -6.670 -13.057 608 HA ASN 74 HA ASN 74 -2.725 -7.979 -15.568 609 HB2 ASN 74 2HB ASN 74 -1.540 -5.669 -14.173 610 HB3 ASN 74 1HB ASN 74 -0.509 -6.337 -15.437 611 HD21 ASN 74 1HD2 ASN 74 -3.329 -4.416 -14.845 612 HD22 ASN 74 2HD2 ASN 74 -3.807 -4.234 -16.463 613 H TYR 75 H TYR 75 -0.571 -7.959 -12.738 614 HA TYR 75 HA TYR 75 1.479 -9.591 -14.009 615 HB2 TYR 75 2HB TYR 75 1.214 -7.933 -11.830 616 HB3 TYR 75 1HB TYR 75 1.251 -9.523 -11.081 617 HD1 TYR 75 2HD TYR 75 3.069 -7.131 -13.196 618 HD2 TYR 75 1HD TYR 75 3.254 -10.941 -11.222 619 HE1 TYR 75 2HE TYR 75 5.515 -7.227 -13.611 620 HE2 TYR 75 1HE TYR 75 5.693 -11.040 -11.644 621 HH TYR 75 HH TYR 75 7.391 -8.361 -13.269 622 H GLY 76 H GLY 76 -1.380 -10.191 -12.027 623 HA2 GLY 76 2HA GLY 76 -2.539 -12.340 -12.267 624 HA3 GLY 76 1HA GLY 76 -0.957 -13.087 -12.418 625 H ALA 77 H ALA 77 -1.160 -10.603 -10.075 626 HA ALA 77 HA ALA 77 -0.990 -12.648 -7.912 627 HB1 ALA 77 1HB ALA 77 0.069 -10.792 -6.675 628 HB2 ALA 77 2HB ALA 77 -0.301 -9.695 -8.006 629 HB3 ALA 77 3HB ALA 77 0.842 -11.015 -8.244 630 H ARG 78 H ARG 78 -2.765 -12.917 -6.628 631 HA ARG 78 HA ARG 78 -4.742 -10.664 -6.432 632 HB2 ARG 78 2HB ARG 78 -5.051 -13.192 -7.473 633 HB3 ARG 78 1HB ARG 78 -5.597 -13.420 -5.811 634 HG2 ARG 78 2HG ARG 78 -7.567 -12.518 -6.420 635 HG3 ARG 78 1HG ARG 78 -6.727 -10.981 -6.620 636 HD2 ARG 78 2HD ARG 78 -7.990 -11.729 -8.682 637 HD3 ARG 78 1HD ARG 78 -6.253 -11.497 -8.964 638 HE ARG 78 HE ARG 78 -6.664 -14.177 -8.086 639 HH11 ARG 78 1HH2 ARG 78 -7.961 -12.256 -10.594 640 HH12 ARG 78 2HH2 ARG 78 -7.688 -13.429 -11.837 641 HH21 ARG 78 1HH1 ARG 78 -6.031 -15.646 -9.748 642 HH22 ARG 78 2HH1 ARG 78 -6.595 -15.350 -11.359 643 H VAL 79 H VAL 79 -4.851 -9.826 -4.359 644 HA VAL 79 HA VAL 79 -3.418 -10.987 -2.164 645 HB VAL 79 HB VAL 79 -5.692 -9.007 -2.000 646 HG11 VAL 79 1HG1 VAL 79 -4.226 -10.008 -0.017 647 HG12 VAL 79 2HG1 VAL 79 -4.697 -8.308 -0.036 648 HG13 VAL 79 3HG1 VAL 79 -3.084 -8.782 -0.569 649 HG21 VAL 79 3HG2 VAL 79 -3.140 -7.728 -2.310 650 HG22 VAL 79 1HG2 VAL 79 -4.574 -7.555 -3.321 651 HG23 VAL 79 2HG2 VAL 79 -3.391 -8.814 -3.675 652 H GLU 80 H GLU 80 -4.060 -12.627 -0.868 653 HA GLU 80 HA GLU 80 -6.761 -13.741 -1.112 654 HB2 GLU 80 2HB GLU 80 -5.500 -15.568 -0.646 655 HB3 GLU 80 1HB GLU 80 -4.102 -14.534 -0.369 656 HG2 GLU 80 2HG GLU 80 -4.650 -14.293 1.968 657 HG3 GLU 80 1HG GLU 80 -6.208 -15.086 1.741 658 H LYS 81 H LYS 81 -5.267 -11.338 0.787 659 HA LYS 81 HA LYS 81 -7.446 -11.534 2.823 660 HB2 LYS 81 2HB LYS 81 -5.741 -11.034 4.459 661 HB3 LYS 81 1HB LYS 81 -5.162 -12.363 3.455 662 HG2 LYS 81 2HG LYS 81 -3.303 -11.054 3.282 663 HG3 LYS 81 1HG LYS 81 -4.245 -10.283 2.000 664 HD2 LYS 81 2HD LYS 81 -4.086 -8.352 3.155 665 HD3 LYS 81 1HD LYS 81 -5.110 -9.078 4.394 666 HE2 LYS 81 2HE LYS 81 -2.647 -10.183 4.975 667 HE3 LYS 81 1HE LYS 81 -2.218 -8.541 4.455 668 HZ1 LYS 81 3HZ LYS 81 -3.771 -9.401 6.747 669 HZ2 LYS 81 1HZ LYS 81 -4.434 -8.094 5.894 670 HZ3 LYS 81 2HZ LYS 81 -2.860 -7.985 6.525 671 H VAL 82 H VAL 82 -8.143 -9.506 3.669 672 HA VAL 82 HA VAL 82 -7.004 -7.021 2.473 673 HB VAL 82 HB VAL 82 -9.806 -8.127 2.266 674 HG11 VAL 82 1HG1 VAL 82 -10.356 -6.010 3.111 675 HG12 VAL 82 2HG1 VAL 82 -10.310 -5.717 1.373 676 HG13 VAL 82 3HG1 VAL 82 -8.944 -5.246 2.382 677 HG21 VAL 82 3HG2 VAL 82 -8.783 -8.524 0.245 678 HG22 VAL 82 1HG2 VAL 82 -7.629 -7.206 0.454 679 HG23 VAL 82 2HG2 VAL 82 -9.281 -6.858 -0.057 680 H GLU 83 H GLU 83 -6.340 -6.086 4.425 681 HA GLU 83 HA GLU 83 -8.414 -5.897 6.584 682 HB2 GLU 83 2HB GLU 83 -5.449 -6.483 6.681 683 HB3 GLU 83 1HB GLU 83 -6.355 -5.984 8.111 684 HG2 GLU 83 2HG GLU 83 -7.439 -8.227 6.447 685 HG3 GLU 83 1HG GLU 83 -6.080 -8.555 7.522 686 H GLU 84 H GLU 84 -9.024 -3.747 6.534 687 HA GLU 84 HA GLU 84 -7.030 -1.655 5.999 688 HB2 GLU 84 2HB GLU 84 -9.063 -0.230 5.910 689 HB3 GLU 84 1HB GLU 84 -9.226 -1.645 4.871 690 HG2 GLU 84 2HG GLU 84 -11.128 -2.134 5.973 691 HG3 GLU 84 1HG GLU 84 -10.138 -2.486 7.391 692 H LEU 85 H LEU 85 -5.963 -0.780 7.750 693 HA LEU 85 HA LEU 85 -6.826 -1.313 10.476 694 HB2 LEU 85 2HB LEU 85 -4.696 0.451 9.232 695 HB3 LEU 85 1HB LEU 85 -4.837 0.155 10.965 696 HG LEU 85 HG LEU 85 -4.635 -2.101 8.963 697 HD11 LEU 85 1HD1 LEU 85 -2.634 -0.210 9.458 698 HD12 LEU 85 2HD1 LEU 85 -2.408 -1.813 8.761 699 HD13 LEU 85 3HD1 LEU 85 -2.220 -1.572 10.498 700 HD21 LEU 85 3HD2 LEU 85 -3.551 -2.353 11.690 701 HD22 LEU 85 1HD2 LEU 85 -4.606 -3.447 10.797 702 HD23 LEU 85 2HD2 LEU 85 -5.288 -2.057 11.640 703 H GLY 86 H GLY 86 -8.024 0.824 8.242 704 HA2 GLY 86 2HA GLY 86 -9.612 2.545 8.568 705 HA3 GLY 86 1HA GLY 86 -9.351 2.404 10.308 706 H LEU 87 H LEU 87 -8.905 4.433 7.713 707 HA LEU 87 HA LEU 87 -6.380 5.597 7.988 708 HB2 LEU 87 2HB LEU 87 -7.930 6.219 6.251 709 HB3 LEU 87 1HB LEU 87 -9.128 6.745 7.434 710 HG LEU 87 HG LEU 87 -7.361 8.434 8.226 711 HD11 LEU 87 1HD1 LEU 87 -5.336 7.833 7.277 712 HD12 LEU 87 2HD1 LEU 87 -5.894 8.997 6.076 713 HD13 LEU 87 3HD1 LEU 87 -6.087 7.268 5.784 714 HD21 LEU 87 3HD2 LEU 87 -8.233 10.037 6.770 715 HD22 LEU 87 1HD2 LEU 87 -9.415 8.739 6.597 716 HD23 LEU 87 2HD2 LEU 87 -8.159 8.956 5.378 717 H ARG 88 H ARG 88 -5.460 6.258 9.923 718 HA ARG 88 HA ARG 88 -7.216 7.572 11.914 719 HB2 ARG 88 2HB ARG 88 -5.797 5.316 12.219 720 HB3 ARG 88 1HB ARG 88 -4.537 6.482 12.624 721 HG2 ARG 88 2HG ARG 88 -5.534 6.119 14.707 722 HG3 ARG 88 1HG ARG 88 -6.390 7.553 14.142 723 HD2 ARG 88 2HD ARG 88 -8.306 6.375 14.484 724 HD3 ARG 88 1HD ARG 88 -7.847 5.406 13.068 725 HE ARG 88 HE ARG 88 -6.615 3.897 14.648 726 HH11 ARG 88 1HH2 ARG 88 -9.450 3.493 15.310 727 HH12 ARG 88 2HH2 ARG 88 -9.499 3.770 17.019 728 HH21 ARG 88 1HH1 ARG 88 -6.445 5.405 17.114 729 HH22 ARG 88 2HH1 ARG 88 -7.801 4.853 18.038 730 H ARG 89 H ARG 89 -6.392 9.493 12.941 731 HA ARG 89 HA ARG 89 -4.041 10.725 11.541 732 HB2 ARG 89 2HB ARG 89 -6.702 11.867 12.427 733 HB3 ARG 89 1HB ARG 89 -5.337 12.879 11.955 734 HG2 ARG 89 2HG ARG 89 -6.079 12.667 9.832 735 HG3 ARG 89 1HG ARG 89 -5.496 11.004 9.907 736 HD2 ARG 89 2HD ARG 89 -7.825 10.935 9.214 737 HD3 ARG 89 1HD ARG 89 -7.760 10.374 10.897 738 HE ARG 89 HE ARG 89 -8.038 13.160 11.046 739 HH11 ARG 89 1HH2 ARG 89 -9.678 11.906 8.559 740 HH12 ARG 89 2HH2 ARG 89 -11.266 12.007 9.246 741 HH21 ARG 89 1HH1 ARG 89 -10.126 12.687 12.450 742 HH22 ARG 89 2HH1 ARG 89 -11.519 12.447 11.448 743 H LEU 90 H LEU 90 -2.478 10.485 13.118 744 HA LEU 90 HA LEU 90 -3.075 11.693 15.799 745 HB2 LEU 90 2HB LEU 90 -2.726 9.018 15.261 746 HB3 LEU 90 1HB LEU 90 -1.088 9.513 15.692 747 HG LEU 90 HG LEU 90 -2.325 10.747 17.678 748 HD11 LEU 90 1HD1 LEU 90 -4.596 10.325 17.109 749 HD12 LEU 90 2HD1 LEU 90 -4.242 9.203 18.424 750 HD13 LEU 90 3HD1 LEU 90 -4.272 8.627 16.757 751 HD21 LEU 90 3HD2 LEU 90 -2.311 8.310 18.821 752 HD22 LEU 90 1HD2 LEU 90 -0.822 9.166 18.418 753 HD23 LEU 90 2HD2 LEU 90 -1.444 7.918 17.336 754 H ALA 91 H ALA 91 -2.039 13.632 14.805 755 HA ALA 91 HA ALA 91 0.857 13.648 15.292 756 HB1 ALA 91 1HB ALA 91 0.630 14.744 12.702 757 HB2 ALA 91 2HB ALA 91 -0.301 13.248 12.664 758 HB3 ALA 91 3HB ALA 91 1.397 13.218 13.140 759 H TYR 92 H TYR 92 1.325 16.076 13.808 760 HA TYR 92 HA TYR 92 -0.318 17.961 15.444 761 HB2 TYR 92 2HB TYR 92 2.473 17.693 14.607 762 HB3 TYR 92 1HB TYR 92 1.844 19.317 14.326 763 HD1 TYR 92 1HD TYR 92 0.881 16.869 16.973 764 HD2 TYR 92 2HD TYR 92 2.793 20.608 16.069 765 HE1 TYR 92 1HE TYR 92 1.069 17.358 19.397 766 HE2 TYR 92 2HE TYR 92 2.983 21.097 18.494 767 HH TYR 92 HH TYR 92 3.023 19.877 20.616 768 HA PRO 93 HA PRO 93 -2.205 19.580 11.827 769 HB2 PRO 93 2HB PRO 93 -2.621 22.169 12.620 770 HB3 PRO 93 1HB PRO 93 -3.574 20.802 13.234 771 HG2 PRO 93 2HG PRO 93 -1.304 22.249 14.501 772 HG3 PRO 93 1HG PRO 93 -2.782 21.604 15.233 773 HD2 PRO 93 2HD PRO 93 -0.360 20.363 15.395 774 HD3 PRO 93 1HD PRO 93 -1.911 19.499 15.455 775 H ILE 94 H ILE 94 -0.631 19.627 10.197 776 HA ILE 94 HA ILE 94 1.534 21.629 10.249 777 HB ILE 94 HB ILE 94 0.657 19.358 8.460 778 HG12 ILE 94 2HG1 ILE 94 3.353 19.732 9.733 779 HG13 ILE 94 1HG1 ILE 94 1.996 19.191 10.722 780 HG21 ILE 94 1HG2 ILE 94 2.287 21.678 7.766 781 HG22 ILE 94 2HG2 ILE 94 1.667 20.396 6.726 782 HG23 ILE 94 3HG2 ILE 94 3.184 20.169 7.598 783 HD11 ILE 94 3HD1 ILE 94 2.263 17.104 9.927 784 HD12 ILE 94 1HD1 ILE 94 3.590 17.652 8.903 785 HD13 ILE 94 2HD1 ILE 94 1.933 17.693 8.299 786 H ALA 95 H ALA 95 1.462 23.556 9.151 787 HA ALA 95 HA ALA 95 -0.857 24.021 7.301 788 HB1 ALA 95 1HB ALA 95 -1.293 25.657 8.808 789 HB2 ALA 95 2HB ALA 95 0.138 26.479 8.189 790 HB3 ALA 95 3HB ALA 95 0.266 25.429 9.600 791 H LYS 96 H LYS 96 2.568 23.917 7.605 792 HA LYS 96 HA LYS 96 2.864 24.837 4.800 793 HB2 LYS 96 2HB LYS 96 3.111 26.644 6.791 794 HB3 LYS 96 1HB LYS 96 4.754 26.003 6.786 795 HG2 LYS 96 2HG LYS 96 5.073 27.551 5.139 796 HG3 LYS 96 1HG LYS 96 4.344 26.311 4.116 797 HD2 LYS 96 2HD LYS 96 2.373 27.450 3.909 798 HD3 LYS 96 1HD LYS 96 2.445 28.076 5.557 799 HE2 LYS 96 2HE LYS 96 3.105 30.058 4.672 800 HE3 LYS 96 1HE LYS 96 4.623 29.266 4.205 801 HZ1 LYS 96 3HZ LYS 96 3.503 28.434 2.208 802 HZ2 LYS 96 1HZ LYS 96 3.526 30.130 2.249 803 HZ3 LYS 96 2HZ LYS 96 2.099 29.291 2.635 Start of MODEL 13 1 H1 MET 1 1HT MET 1 1.495 10.613 8.356 2 H2 MET 1 2HT MET 1 1.487 9.260 7.328 3 H3 MET 1 3HT MET 1 2.351 10.658 6.892 4 HA MET 1 HA MET 1 4.093 9.444 7.686 5 HB2 MET 1 2HB MET 1 2.668 10.916 9.895 6 HB3 MET 1 1HB MET 1 4.193 10.096 10.228 7 HG2 MET 1 2HG MET 1 5.413 11.587 9.006 8 HG3 MET 1 1HG MET 1 4.157 11.762 7.780 9 HE1 MET 1 2HE MET 1 5.182 14.308 7.938 10 HE2 MET 1 3HE MET 1 3.871 15.366 8.450 11 HE3 MET 1 1HE MET 1 3.547 14.018 7.351 12 H ASP 2 H ASP 2 4.527 8.276 10.214 13 HA ASP 2 HA ASP 2 3.327 5.656 9.839 14 HB2 ASP 2 2HB ASP 2 5.663 6.462 10.733 15 HB3 ASP 2 1HB ASP 2 4.827 6.548 12.283 16 HA PRO 3 HA PRO 3 0.926 6.830 13.746 17 HB2 PRO 3 2HB PRO 3 0.920 9.438 14.566 18 HB3 PRO 3 1HB PRO 3 2.179 8.285 15.044 19 HG2 PRO 3 2HG PRO 3 2.333 10.540 13.196 20 HG3 PRO 3 1HG PRO 3 3.630 9.662 14.013 21 HD2 PRO 3 2HD PRO 3 2.722 9.391 11.295 22 HD3 PRO 3 1HD PRO 3 4.070 8.555 12.098 23 H GLN 4 H GLN 4 0.675 7.987 10.750 24 HA GLN 4 HA GLN 4 -2.181 8.347 10.821 25 HB2 GLN 4 2HB GLN 4 -1.968 10.843 10.136 26 HB3 GLN 4 1HB GLN 4 -1.775 10.437 11.840 27 HG2 GLN 4 2HG GLN 4 0.507 10.812 11.818 28 HG3 GLN 4 1HG GLN 4 0.660 10.419 10.105 29 HE21 GLN 4 1HE2 GLN 4 -0.906 12.089 8.740 30 HE22 GLN 4 2HE2 GLN 4 -0.629 13.720 9.124 31 H GLY 5 H GLY 5 -3.019 8.392 8.674 32 HA2 GLY 5 2HA GLY 5 -2.849 8.662 6.285 33 HA3 GLY 5 1HA GLY 5 -1.094 8.735 6.444 34 H TYR 6 H TYR 6 -0.318 6.506 7.652 35 HA TYR 6 HA TYR 6 -0.633 4.436 5.711 36 HB2 TYR 6 2HB TYR 6 0.814 3.245 7.156 37 HB3 TYR 6 1HB TYR 6 1.171 4.928 7.538 38 HD1 TYR 6 1HD TYR 6 -0.443 5.980 9.418 39 HD2 TYR 6 2HD TYR 6 0.402 1.796 8.927 40 HE1 TYR 6 1HE TYR 6 -1.093 5.573 11.774 41 HE2 TYR 6 2HE TYR 6 -0.246 1.390 11.285 42 HH TYR 6 HH TYR 6 -1.022 2.283 13.156 43 H PHE 7 H PHE 7 -2.266 2.928 5.487 44 HA PHE 7 HA PHE 7 -3.763 1.879 7.711 45 HB2 PHE 7 2HB PHE 7 -4.844 3.981 7.718 46 HB3 PHE 7 1HB PHE 7 -4.839 4.082 5.959 47 HD1 PHE 7 1HD PHE 7 -6.134 1.813 8.664 48 HD2 PHE 7 2HD PHE 7 -6.837 3.662 4.853 49 HE1 PHE 7 1HE PHE 7 -8.402 0.816 8.600 50 HE2 PHE 7 2HE PHE 7 -9.107 2.662 4.787 51 HZ PHE 7 HZ PHE 7 -9.889 1.240 6.662 52 H LEU 8 H LEU 8 -2.378 1.161 4.994 53 HA LEU 8 HA LEU 8 -4.544 -0.651 4.145 54 HB2 LEU 8 2HB LEU 8 -3.018 -0.147 1.836 55 HB3 LEU 8 1HB LEU 8 -4.670 0.359 2.139 56 HG LEU 8 HG LEU 8 -3.244 2.245 1.464 57 HD11 LEU 8 1HD1 LEU 8 -3.598 3.105 4.206 58 HD12 LEU 8 2HD1 LEU 8 -4.973 2.146 3.664 59 HD13 LEU 8 3HD1 LEU 8 -4.488 3.580 2.761 60 HD21 LEU 8 3HD2 LEU 8 -1.701 2.758 3.751 61 HD22 LEU 8 1HD2 LEU 8 -1.113 2.269 2.164 62 HD23 LEU 8 2HD2 LEU 8 -1.442 1.051 3.394 63 H TRP 9 H TRP 9 -3.917 -2.717 4.284 64 HA TRP 9 HA TRP 9 -1.021 -3.373 3.868 65 HB2 TRP 9 2HB TRP 9 -2.254 -3.367 6.268 66 HB3 TRP 9 1HB TRP 9 -2.701 -4.987 5.732 67 HD1 TRP 9 HD TRP 9 0.110 -5.292 4.014 68 HE1 TRP 9 1HE TRP 9 2.224 -5.920 5.346 69 HE3 TRP 9 3HE TRP 9 -1.362 -3.918 8.706 70 HZ2 TRP 9 2HZ TRP 9 3.169 -5.847 8.043 71 HZ3 TRP 9 3HZ TRP 9 0.163 -4.207 10.637 72 HH2 TRP 9 HH TRP 9 2.426 -5.169 10.312 73 H TYR 10 H TYR 10 -0.912 -4.685 2.057 74 HA TYR 10 HA TYR 10 -3.154 -6.637 1.634 75 HB2 TYR 10 2HB TYR 10 -1.578 -5.009 -0.387 76 HB3 TYR 10 1HB TYR 10 -2.820 -6.195 -0.793 77 HD1 TYR 10 1HD TYR 10 -5.182 -5.848 0.138 78 HD2 TYR 10 2HD TYR 10 -2.168 -2.787 0.179 79 HE1 TYR 10 1HE TYR 10 -6.937 -4.124 0.451 80 HE2 TYR 10 2HE TYR 10 -3.923 -1.063 0.489 81 HH TYR 10 HH TYR 10 -6.221 -0.917 1.347 82 H GLN 11 H GLN 11 -2.502 -8.742 1.207 83 HA GLN 11 HA GLN 11 0.407 -9.239 1.007 84 HB2 GLN 11 2HB GLN 11 -1.257 -10.114 2.889 85 HB3 GLN 11 1HB GLN 11 -1.601 -11.344 1.673 86 HG2 GLN 11 2HG GLN 11 0.832 -11.841 1.519 87 HG3 GLN 11 1HG GLN 11 1.131 -10.666 2.799 88 HE21 GLN 11 1HE2 GLN 11 -1.852 -12.388 3.178 89 HE22 GLN 11 2HE2 GLN 11 -1.315 -13.485 4.353 90 H VAL 12 H VAL 12 1.025 -11.059 -0.488 91 HA VAL 12 HA VAL 12 -0.999 -11.442 -2.668 92 HB VAL 12 HB VAL 12 0.829 -11.150 -4.261 93 HG11 VAL 12 1HG1 VAL 12 -0.327 -9.166 -2.859 94 HG12 VAL 12 2HG1 VAL 12 0.869 -8.871 -4.122 95 HG13 VAL 12 3HG1 VAL 12 1.359 -8.880 -2.426 96 HG21 VAL 12 3HG2 VAL 12 2.655 -10.491 -1.948 97 HG22 VAL 12 1HG2 VAL 12 3.087 -10.822 -3.625 98 HG23 VAL 12 2HG2 VAL 12 2.538 -12.132 -2.580 99 H GLU 13 H GLU 13 0.056 -13.201 -4.235 100 HA GLU 13 HA GLU 13 1.255 -15.428 -2.642 101 HB2 GLU 13 2HB GLU 13 -1.125 -15.799 -2.551 102 HB3 GLU 13 1HB GLU 13 -1.304 -15.441 -4.270 103 HG2 GLU 13 2HG GLU 13 -1.043 -17.638 -4.689 104 HG3 GLU 13 1HG GLU 13 0.620 -17.496 -4.118 105 H MET 14 H MET 14 2.867 -14.107 -4.221 106 HA MET 14 HA MET 14 3.099 -15.756 -6.706 107 HB2 MET 14 2HB MET 14 2.178 -13.202 -6.651 108 HB3 MET 14 1HB MET 14 3.904 -12.890 -6.745 109 HG2 MET 14 2HG MET 14 2.851 -13.012 -8.991 110 HG3 MET 14 1HG MET 14 4.074 -14.259 -8.770 111 HE1 MET 14 3HE MET 14 1.730 -15.493 -11.164 112 HE2 MET 14 1HE MET 14 2.733 -16.734 -10.397 113 HE3 MET 14 2HE MET 14 3.371 -15.111 -10.650 114 HA PRO 15 HA PRO 15 7.197 -16.377 -5.210 115 HB2 PRO 15 2HB PRO 15 8.498 -16.725 -7.597 116 HB3 PRO 15 1HB PRO 15 7.530 -17.960 -6.814 117 HG2 PRO 15 2HG PRO 15 6.802 -16.112 -9.030 118 HG3 PRO 15 1HG PRO 15 6.419 -17.832 -8.841 119 HD2 PRO 15 2HD PRO 15 4.596 -15.930 -8.331 120 HD3 PRO 15 1HD PRO 15 4.672 -17.423 -7.373 121 H GLU 16 H GLU 16 9.509 -15.833 -6.309 122 HA GLU 16 HA GLU 16 10.021 -13.081 -5.796 123 HB2 GLU 16 2HB GLU 16 11.489 -15.265 -5.861 124 HB3 GLU 16 1HB GLU 16 11.702 -14.841 -7.558 125 HG2 GLU 16 2HG GLU 16 12.497 -12.584 -6.860 126 HG3 GLU 16 1HG GLU 16 12.374 -13.091 -5.175 127 H ASP 17 H ASP 17 9.141 -14.912 -8.622 128 HA ASP 17 HA ASP 17 9.951 -13.175 -10.703 129 HB2 ASP 17 2HB ASP 17 9.069 -15.457 -10.976 130 HB3 ASP 17 1HB ASP 17 7.483 -14.916 -10.424 131 H ARG 18 H ARG 18 7.457 -12.808 -8.329 132 HA ARG 18 HA ARG 18 5.972 -10.759 -9.844 133 HB2 ARG 18 2HB ARG 18 4.422 -10.960 -8.073 134 HB3 ARG 18 1HB ARG 18 5.101 -12.580 -8.221 135 HG2 ARG 18 2HG ARG 18 5.507 -12.394 -5.991 136 HG3 ARG 18 1HG ARG 18 6.870 -11.390 -6.486 137 HD2 ARG 18 2HD ARG 18 5.626 -9.370 -6.168 138 HD3 ARG 18 1HD ARG 18 4.097 -10.257 -6.006 139 HE ARG 18 HE ARG 18 5.404 -11.382 -3.991 140 HH11 ARG 18 1HH2 ARG 18 7.649 -9.499 -3.942 141 HH12 ARG 18 2HH2 ARG 18 7.097 -8.246 -2.882 142 HH21 ARG 18 1HH1 ARG 18 3.762 -9.164 -3.101 143 HH22 ARG 18 2HH1 ARG 18 4.897 -8.057 -2.405 144 H VAL 19 H VAL 19 8.690 -10.844 -7.756 145 HA VAL 19 HA VAL 19 8.544 -8.592 -6.139 146 HB VAL 19 HB VAL 19 10.779 -9.672 -7.876 147 HG11 VAL 19 1HG1 VAL 19 12.026 -8.401 -5.806 148 HG12 VAL 19 2HG1 VAL 19 10.674 -7.307 -6.100 149 HG13 VAL 19 3HG1 VAL 19 11.800 -7.688 -7.403 150 HG21 VAL 19 3HG2 VAL 19 10.731 -9.887 -4.908 151 HG22 VAL 19 1HG2 VAL 19 11.255 -11.065 -6.111 152 HG23 VAL 19 2HG2 VAL 19 9.536 -10.844 -5.782 153 H ASN 20 H ASN 20 9.359 -8.618 -9.632 154 HA ASN 20 HA ASN 20 9.839 -5.838 -9.948 155 HB2 ASN 20 2HB ASN 20 9.284 -8.199 -11.559 156 HB3 ASN 20 1HB ASN 20 8.540 -6.763 -12.262 157 HD21 ASN 20 1HD2 ASN 20 11.141 -8.425 -12.887 158 HD22 ASN 20 2HD2 ASN 20 12.318 -7.216 -13.075 159 H ASP 21 H ASP 21 6.827 -7.651 -9.676 160 HA ASP 21 HA ASP 21 5.014 -5.687 -10.628 161 HB2 ASP 21 2HB ASP 21 4.723 -8.183 -10.039 162 HB3 ASP 21 1HB ASP 21 4.506 -7.633 -8.378 163 H LEU 22 H LEU 22 6.181 -6.376 -7.318 164 HA LEU 22 HA LEU 22 4.702 -4.366 -5.950 165 HB2 LEU 22 2HB LEU 22 7.303 -5.831 -5.557 166 HB3 LEU 22 1HB LEU 22 6.852 -4.555 -4.427 167 HG LEU 22 HG LEU 22 6.112 -6.936 -3.816 168 HD11 LEU 22 1HD1 LEU 22 5.051 -5.311 -2.543 169 HD12 LEU 22 2HD1 LEU 22 3.665 -6.004 -3.386 170 HD13 LEU 22 3HD1 LEU 22 4.380 -4.496 -3.956 171 HD21 LEU 22 3HD2 LEU 22 4.108 -6.336 -6.015 172 HD22 LEU 22 1HD2 LEU 22 4.083 -7.739 -4.947 173 HD23 LEU 22 2HD2 LEU 22 5.388 -7.542 -6.116 174 H ALA 23 H ALA 23 7.902 -4.240 -7.503 175 HA ALA 23 HA ALA 23 8.588 -1.581 -6.822 176 HB1 ALA 23 1HB ALA 23 10.354 -1.996 -8.246 177 HB2 ALA 23 2HB ALA 23 9.312 -2.678 -9.495 178 HB3 ALA 23 3HB ALA 23 9.758 -3.649 -8.091 179 H ARG 24 H ARG 24 6.949 -2.847 -9.743 180 HA ARG 24 HA ARG 24 6.490 -0.296 -10.945 181 HB2 ARG 24 2HB ARG 24 6.042 -3.068 -11.436 182 HB3 ARG 24 1HB ARG 24 4.506 -2.233 -11.667 183 HG2 ARG 24 2HG ARG 24 6.545 -0.623 -12.846 184 HG3 ARG 24 1HG ARG 24 6.776 -2.279 -13.412 185 HD2 ARG 24 2HD ARG 24 4.427 -2.393 -14.130 186 HD3 ARG 24 1HD ARG 24 4.149 -0.750 -13.519 187 HE ARG 24 HE ARG 24 6.383 -0.564 -15.210 188 HH11 ARG 24 1HH2 ARG 24 3.560 -2.330 -15.808 189 HH12 ARG 24 2HH2 ARG 24 3.163 -1.509 -17.281 190 HH21 ARG 24 1HH1 ARG 24 5.670 0.863 -16.951 191 HH22 ARG 24 2HH1 ARG 24 4.357 0.296 -17.929 192 H GLU 25 H GLU 25 4.507 -2.378 -8.842 193 HA GLU 25 HA GLU 25 2.074 -0.975 -8.913 194 HB2 GLU 25 2HB GLU 25 2.562 -3.178 -7.852 195 HB3 GLU 25 1HB GLU 25 3.434 -2.340 -6.573 196 HG2 GLU 25 2HG GLU 25 1.256 -0.990 -6.234 197 HG3 GLU 25 1HG GLU 25 0.482 -2.259 -7.186 198 H LEU 26 H LEU 26 4.808 -0.546 -6.652 199 HA LEU 26 HA LEU 26 3.633 1.713 -5.290 200 HB2 LEU 26 2HB LEU 26 5.606 1.647 -4.046 201 HB3 LEU 26 1HB LEU 26 5.551 0.004 -4.676 202 HG LEU 26 HG LEU 26 6.940 0.967 -6.658 203 HD11 LEU 26 1HD1 LEU 26 8.423 2.827 -5.233 204 HD12 LEU 26 2HD1 LEU 26 6.758 3.236 -4.819 205 HD13 LEU 26 3HD1 LEU 26 7.264 3.201 -6.508 206 HD21 LEU 26 3HD2 LEU 26 7.636 -0.520 -4.602 207 HD22 LEU 26 1HD2 LEU 26 8.441 0.952 -4.056 208 HD23 LEU 26 2HD2 LEU 26 8.887 0.224 -5.600 209 H ARG 27 H ARG 27 5.857 1.402 -8.044 210 HA ARG 27 HA ARG 27 6.587 4.151 -8.282 211 HB2 ARG 27 2HB ARG 27 7.370 1.827 -9.317 212 HB3 ARG 27 1HB ARG 27 6.300 2.321 -10.625 213 HG2 ARG 27 2HG ARG 27 8.024 4.488 -9.679 214 HG3 ARG 27 1HG ARG 27 8.929 3.117 -10.317 215 HD2 ARG 27 2HD ARG 27 6.577 3.915 -11.936 216 HD3 ARG 27 1HD ARG 27 7.914 5.083 -11.907 217 HE ARG 27 HE ARG 27 9.043 2.498 -12.220 218 HH11 ARG 27 1HH1 ARG 27 7.441 5.041 -13.875 219 HH12 ARG 27 2HH1 ARG 27 7.726 4.383 -15.452 220 HH21 ARG 27 1HH2 ARG 27 9.240 1.498 -14.264 221 HH22 ARG 27 2HH2 ARG 27 8.746 2.378 -15.673 222 H ILE 28 H ILE 28 3.853 2.293 -9.670 223 HA ILE 28 HA ILE 28 2.928 4.180 -11.525 224 HB ILE 28 HB ILE 28 2.337 1.691 -10.723 225 HG12 ILE 28 2HG1 ILE 28 0.243 3.422 -12.037 226 HG13 ILE 28 1HG1 ILE 28 1.724 2.912 -12.856 227 HG21 ILE 28 1HG2 ILE 28 0.139 3.426 -9.571 228 HG22 ILE 28 2HG2 ILE 28 1.185 2.324 -8.686 229 HG23 ILE 28 3HG2 ILE 28 0.006 1.686 -9.826 230 HD11 ILE 28 3HD1 ILE 28 0.955 0.547 -11.849 231 HD12 ILE 28 1HD1 ILE 28 0.424 1.114 -13.433 232 HD13 ILE 28 2HD1 ILE 28 -0.632 1.299 -12.031 233 H ARG 29 H ARG 29 2.034 3.849 -8.066 234 HA ARG 29 HA ARG 29 0.303 6.226 -8.218 235 HB2 ARG 29 2HB ARG 29 0.027 5.666 -5.761 236 HB3 ARG 29 1HB ARG 29 -0.399 4.363 -6.868 237 HG2 ARG 29 2HG ARG 29 2.399 4.165 -6.294 238 HG3 ARG 29 1HG ARG 29 1.530 4.321 -4.770 239 HD2 ARG 29 2HD ARG 29 0.675 2.373 -6.925 240 HD3 ARG 29 1HD ARG 29 1.763 1.929 -5.596 241 HE ARG 29 HE ARG 29 -1.090 2.411 -5.346 242 HH11 ARG 29 1HH1 ARG 29 1.439 1.130 -3.726 243 HH12 ARG 29 2HH1 ARG 29 1.049 1.772 -2.165 244 HH21 ARG 29 1HH2 ARG 29 -1.372 3.941 -3.370 245 HH22 ARG 29 2HH2 ARG 29 -0.541 3.364 -1.964 246 H ASP 30 H ASP 30 1.364 8.175 -8.304 247 HA ASP 30 HA ASP 30 3.971 8.646 -7.096 248 HB2 ASP 30 2HB ASP 30 1.954 10.008 -8.742 249 HB3 ASP 30 1HB ASP 30 2.784 11.097 -7.628 250 H ASN 31 H ASN 31 0.617 9.143 -6.152 251 HA ASN 31 HA ASN 31 0.934 10.972 -4.003 252 HB2 ASN 31 2HB ASN 31 -1.222 9.941 -3.260 253 HB3 ASN 31 1HB ASN 31 -1.206 10.307 -4.985 254 HD21 ASN 31 1HD2 ASN 31 -2.794 8.585 -5.400 255 HD22 ASN 31 2HD2 ASN 31 -2.337 6.952 -5.355 256 H VAL 32 H VAL 32 2.030 7.744 -4.305 257 HA VAL 32 HA VAL 32 1.921 7.025 -1.481 258 HB VAL 32 HB VAL 32 2.218 5.798 -3.953 259 HG11 VAL 32 1HG1 VAL 32 4.824 5.613 -2.420 260 HG12 VAL 32 2HG1 VAL 32 4.601 6.171 -4.079 261 HG13 VAL 32 3HG1 VAL 32 4.346 4.472 -3.677 262 HG21 VAL 32 3HG2 VAL 32 3.007 4.020 -1.828 263 HG22 VAL 32 1HG2 VAL 32 1.466 4.109 -2.680 264 HG23 VAL 32 2HG2 VAL 32 1.748 5.115 -1.258 265 H ARG 33 H ARG 33 3.312 7.804 0.039 266 HA ARG 33 HA ARG 33 5.683 9.331 -0.708 267 HB2 ARG 33 2HB ARG 33 4.616 10.203 1.145 268 HB3 ARG 33 1HB ARG 33 4.094 8.620 1.716 269 HG2 ARG 33 2HG ARG 33 5.781 9.547 3.231 270 HG3 ARG 33 1HG ARG 33 6.421 8.124 2.412 271 HD2 ARG 33 2HD ARG 33 8.110 9.913 2.382 272 HD3 ARG 33 1HD ARG 33 7.511 9.652 0.731 273 HE ARG 33 HE ARG 33 5.794 11.555 1.902 274 HH11 ARG 33 1HH1 ARG 33 9.019 11.740 2.554 275 HH12 ARG 33 2HH1 ARG 33 9.330 13.188 1.656 276 HH21 ARG 33 1HH2 ARG 33 6.230 13.206 0.104 277 HH22 ARG 33 2HH2 ARG 33 7.752 14.017 0.269 278 H ARG 34 H ARG 34 5.123 6.209 1.011 279 HA ARG 34 HA ARG 34 7.808 5.321 0.113 280 HB2 ARG 34 2HB ARG 34 7.812 6.683 2.348 281 HB3 ARG 34 1HB ARG 34 7.139 5.209 3.045 282 HG2 ARG 34 2HG ARG 34 9.323 4.604 3.274 283 HG3 ARG 34 1HG ARG 34 9.192 4.187 1.565 284 HD2 ARG 34 2HD ARG 34 9.852 6.640 1.089 285 HD3 ARG 34 1HD ARG 34 10.354 6.697 2.790 286 HE ARG 34 HE ARG 34 12.237 5.457 2.108 287 HH11 ARG 34 1HH2 ARG 34 10.067 5.406 -0.462 288 HH12 ARG 34 2HH2 ARG 34 10.616 3.901 -1.121 289 HH21 ARG 34 1HH1 ARG 34 12.707 3.190 1.550 290 HH22 ARG 34 2HH1 ARG 34 12.111 2.647 0.018 291 H VAL 35 H VAL 35 7.889 3.094 -0.120 292 HA VAL 35 HA VAL 35 5.699 1.462 1.104 293 HB VAL 35 HB VAL 35 5.101 2.095 -1.208 294 HG11 VAL 35 1HG1 VAL 35 7.912 1.685 -1.609 295 HG12 VAL 35 2HG1 VAL 35 6.729 2.356 -2.731 296 HG13 VAL 35 3HG1 VAL 35 7.022 0.616 -2.694 297 HG21 VAL 35 3HG2 VAL 35 4.817 -0.172 -2.123 298 HG22 VAL 35 1HG2 VAL 35 4.505 -0.170 -0.387 299 HG23 VAL 35 2HG2 VAL 35 6.036 -0.787 -1.008 300 H MET 36 H MET 36 6.511 -0.418 1.998 301 HA MET 36 HA MET 36 9.056 -1.498 0.966 302 HB2 MET 36 2HB MET 36 9.157 0.110 3.043 303 HB3 MET 36 1HB MET 36 8.554 -1.297 3.918 304 HG2 MET 36 2HG MET 36 10.778 -1.801 4.091 305 HG3 MET 36 1HG MET 36 10.536 -2.455 2.472 306 HE1 MET 36 3HE MET 36 12.562 -2.355 1.430 307 HE2 MET 36 1HE MET 36 13.202 -0.907 0.642 308 HE3 MET 36 2HE MET 36 11.566 -1.459 0.287 309 H VAL 37 H VAL 37 8.487 -3.552 0.365 310 HA VAL 37 HA VAL 37 6.623 -5.075 2.156 311 HB VAL 37 HB VAL 37 7.183 -5.412 -0.807 312 HG11 VAL 37 1HG1 VAL 37 4.813 -6.390 0.788 313 HG12 VAL 37 2HG1 VAL 37 6.281 -7.353 0.629 314 HG13 VAL 37 3HG1 VAL 37 5.351 -6.920 -0.806 315 HG21 VAL 37 3HG2 VAL 37 5.171 -3.775 0.721 316 HG22 VAL 37 1HG2 VAL 37 4.751 -4.434 -0.860 317 HG23 VAL 37 2HG2 VAL 37 6.115 -3.327 -0.699 318 H VAL 38 H VAL 38 7.458 -6.956 3.052 319 HA VAL 38 HA VAL 38 10.164 -7.826 2.125 320 HB VAL 38 HB VAL 38 10.225 -8.885 4.384 321 HG11 VAL 38 1HG1 VAL 38 9.493 -6.328 5.371 322 HG12 VAL 38 2HG1 VAL 38 10.133 -6.082 3.747 323 HG13 VAL 38 3HG1 VAL 38 11.111 -6.901 4.964 324 HG21 VAL 38 3HG2 VAL 38 8.354 -9.140 5.623 325 HG22 VAL 38 1HG2 VAL 38 7.448 -8.642 4.194 326 HG23 VAL 38 2HG2 VAL 38 7.905 -7.448 5.409 327 H ALA 39 H ALA 39 10.530 -10.042 1.658 328 HA ALA 39 HA ALA 39 8.249 -11.530 0.613 329 HB1 ALA 39 1HB ALA 39 9.968 -13.028 -0.172 330 HB2 ALA 39 2HB ALA 39 11.123 -12.402 1.005 331 HB3 ALA 39 3HB ALA 39 10.595 -11.387 -0.338 332 H SER 40 H SER 40 7.599 -13.664 1.335 333 HA SER 40 HA SER 40 7.504 -13.962 4.223 334 HB2 SER 40 2HB SER 40 6.460 -16.211 3.433 335 HB3 SER 40 1HB SER 40 5.643 -14.722 2.968 336 HG SER 40 HG SER 40 6.075 -16.336 1.260 337 H THR 41 H THR 41 8.024 -16.461 4.947 338 HA THR 41 HA THR 41 10.925 -16.795 4.351 339 HB THR 41 HB THR 41 9.905 -16.462 6.686 340 HG1 THR 41 1HG THR 41 11.956 -17.203 6.599 341 HG21 THR 41 3HG2 THR 41 8.578 -18.067 7.626 342 HG22 THR 41 1HG2 THR 41 9.378 -19.380 6.763 343 HG23 THR 41 2HG2 THR 41 8.168 -18.394 5.943 344 H THR 42 H THR 42 8.147 -18.020 3.097 345 HA THR 42 HA THR 42 9.499 -20.527 2.324 346 HB THR 42 HB THR 42 7.142 -20.278 4.152 347 HG1 THR 42 1HG THR 42 8.773 -21.062 5.225 348 HG21 THR 42 3HG2 THR 42 6.297 -21.474 2.117 349 HG22 THR 42 1HG2 THR 42 6.320 -22.483 3.561 350 HG23 THR 42 2HG2 THR 42 7.577 -22.664 2.338 351 HA PRO 43 HA PRO 43 5.693 -20.078 -0.477 352 HB2 PRO 43 2HB PRO 43 3.722 -18.303 0.189 353 HB3 PRO 43 1HB PRO 43 3.744 -19.981 0.769 354 HG2 PRO 43 2HG PRO 43 4.555 -17.483 2.172 355 HG3 PRO 43 1HG PRO 43 3.694 -18.899 2.795 356 HD2 PRO 43 2HD PRO 43 6.343 -18.453 3.229 357 HD3 PRO 43 1HD PRO 43 5.616 -20.074 3.162 358 H GLY 44 H GLY 44 4.440 -17.910 -1.616 359 HA2 GLY 44 2HA GLY 44 6.635 -15.976 -1.990 360 HA3 GLY 44 1HA GLY 44 5.494 -16.414 -3.258 361 H ARG 45 H ARG 45 4.672 -15.821 0.113 362 HA ARG 45 HA ARG 45 2.748 -13.737 -0.753 363 HB2 ARG 45 2HB ARG 45 3.191 -15.571 1.552 364 HB3 ARG 45 1HB ARG 45 2.353 -14.055 1.894 365 HG2 ARG 45 2HG ARG 45 0.520 -14.623 0.635 366 HG3 ARG 45 1HG ARG 45 1.471 -15.566 -0.514 367 HD2 ARG 45 2HD ARG 45 1.537 -17.459 0.905 368 HD3 ARG 45 1HD ARG 45 1.096 -16.506 2.336 369 HE ARG 45 HE ARG 45 -0.946 -16.297 0.305 370 HH11 ARG 45 1HH1 ARG 45 -1.507 -16.610 3.228 371 HH12 ARG 45 2HH1 ARG 45 -2.158 -18.214 3.306 372 HH21 ARG 45 1HH2 ARG 45 -0.977 -19.132 0.179 373 HH22 ARG 45 2HH2 ARG 45 -1.858 -19.640 1.581 374 H TYR 46 H TYR 46 2.976 -11.590 -0.202 375 HA TYR 46 HA TYR 46 5.332 -10.851 1.496 376 HB2 TYR 46 2HB TYR 46 4.188 -9.558 -0.978 377 HB3 TYR 46 1HB TYR 46 5.500 -8.898 -0.028 378 HD1 TYR 46 1HD TYR 46 4.541 -12.143 -1.660 379 HD2 TYR 46 2HD TYR 46 7.667 -9.377 -0.653 380 HE1 TYR 46 1HE TYR 46 6.186 -13.563 -2.855 381 HE2 TYR 46 2HE TYR 46 9.308 -10.793 -1.844 382 HH TYR 46 HH TYR 46 8.952 -13.830 -2.547 383 H GLU 47 H GLU 47 5.055 -8.923 2.708 384 HA GLU 47 HA GLU 47 2.202 -8.277 3.311 385 HB2 GLU 47 2HB GLU 47 3.071 -7.584 5.472 386 HB3 GLU 47 1HB GLU 47 3.764 -9.156 5.084 387 HG2 GLU 47 2HG GLU 47 5.747 -7.844 4.096 388 HG3 GLU 47 1HG GLU 47 5.085 -6.447 4.948 389 H VAL 48 H VAL 48 1.593 -6.547 2.045 390 HA VAL 48 HA VAL 48 3.525 -4.434 1.347 391 HB VAL 48 HB VAL 48 0.568 -4.779 0.765 392 HG11 VAL 48 1HG1 VAL 48 0.852 -3.129 -0.921 393 HG12 VAL 48 2HG1 VAL 48 2.610 -3.211 -0.819 394 HG13 VAL 48 3HG1 VAL 48 1.683 -2.471 0.488 395 HG21 VAL 48 3HG2 VAL 48 1.119 -6.187 -0.943 396 HG22 VAL 48 1HG2 VAL 48 2.587 -6.462 -0.005 397 HG23 VAL 48 2HG2 VAL 48 2.592 -5.296 -1.328 398 H ASN 49 H ASN 49 3.865 -2.815 2.786 399 HA ASN 49 HA ASN 49 1.534 -1.678 4.253 400 HB2 ASN 49 2HB ASN 49 3.416 -1.261 6.044 401 HB3 ASN 49 1HB ASN 49 2.690 -2.863 5.934 402 HD21 ASN 49 1HD2 ASN 49 3.989 -4.595 5.013 403 HD22 ASN 49 2HD2 ASN 49 5.658 -4.418 4.755 404 H ILE 50 H ILE 50 1.361 0.131 2.958 405 HA ILE 50 HA ILE 50 3.840 1.769 2.556 406 HB ILE 50 HB ILE 50 2.494 0.638 0.637 407 HG12 ILE 50 2HG1 ILE 50 4.277 2.385 0.400 408 HG13 ILE 50 1HG1 ILE 50 3.047 2.459 -0.857 409 HG21 ILE 50 1HG2 ILE 50 0.736 3.029 1.260 410 HG22 ILE 50 2HG2 ILE 50 0.267 1.332 1.360 411 HG23 ILE 50 3HG2 ILE 50 0.633 2.055 -0.206 412 HD11 ILE 50 3HD1 ILE 50 3.349 4.256 1.550 413 HD12 ILE 50 1HD1 ILE 50 1.864 4.198 0.605 414 HD13 ILE 50 2HD1 ILE 50 3.375 4.716 -0.144 415 H VAL 51 H VAL 51 3.867 3.790 3.428 416 HA VAL 51 HA VAL 51 1.404 4.822 4.742 417 HB VAL 51 HB VAL 51 3.698 4.601 5.853 418 HG11 VAL 51 1HG1 VAL 51 4.562 7.150 4.658 419 HG12 VAL 51 2HG1 VAL 51 4.579 5.791 3.534 420 HG13 VAL 51 3HG1 VAL 51 5.504 5.707 5.033 421 HG21 VAL 51 3HG2 VAL 51 3.455 7.351 6.321 422 HG22 VAL 51 1HG2 VAL 51 2.644 6.064 7.215 423 HG23 VAL 51 2HG2 VAL 51 1.833 6.840 5.855 424 H LEU 52 H LEU 52 0.630 6.977 4.191 425 HA LEU 52 HA LEU 52 1.822 8.183 1.721 426 HB2 LEU 52 2HB LEU 52 -1.063 7.444 2.257 427 HB3 LEU 52 1HB LEU 52 -0.531 8.391 0.873 428 HG LEU 52 HG LEU 52 1.165 6.266 0.707 429 HD11 LEU 52 1HD1 LEU 52 -1.207 5.450 2.282 430 HD12 LEU 52 2HD1 LEU 52 0.391 4.710 2.188 431 HD13 LEU 52 3HD1 LEU 52 -0.803 4.396 0.928 432 HD21 LEU 52 3HD2 LEU 52 -1.495 6.936 -0.494 433 HD22 LEU 52 1HD2 LEU 52 -0.792 5.362 -0.866 434 HD23 LEU 52 2HD2 LEU 52 0.087 6.836 -1.264 435 H ASN 53 H ASN 53 -0.221 10.097 1.429 436 HA ASN 53 HA ASN 53 0.543 12.361 2.698 437 HB2 ASN 53 2HB ASN 53 -2.352 11.510 2.380 438 HB3 ASN 53 1HB ASN 53 -1.736 13.162 2.360 439 HD21 ASN 53 1HD2 ASN 53 -2.074 10.222 0.458 440 HD22 ASN 53 2HD2 ASN 53 -1.456 10.859 -0.989 441 HA PRO 54 HA PRO 54 -0.027 12.154 7.024 442 HB2 PRO 54 2HB PRO 54 -0.927 14.693 7.565 443 HB3 PRO 54 1HB PRO 54 0.762 14.318 7.157 444 HG2 PRO 54 2HG PRO 54 -1.424 15.346 5.399 445 HG3 PRO 54 1HG PRO 54 0.270 15.856 5.501 446 HD2 PRO 54 2HD PRO 54 -0.590 14.235 3.544 447 HD3 PRO 54 1HD PRO 54 1.028 14.054 4.259 448 H ASN 55 H ASN 55 -2.746 13.227 5.054 449 HA ASN 55 HA ASN 55 -4.594 12.088 7.126 450 HB2 ASN 55 2HB ASN 55 -4.796 14.457 7.271 451 HB3 ASN 55 1HB ASN 55 -4.712 14.648 5.519 452 HD21 ASN 55 1HD2 ASN 55 -6.748 15.295 4.802 453 HD22 ASN 55 2HD2 ASN 55 -8.218 14.624 5.317 454 H LEU 56 H LEU 56 -4.439 10.106 5.711 455 HA LEU 56 HA LEU 56 -5.324 10.217 2.947 456 HB2 LEU 56 2HB LEU 56 -4.837 8.138 5.059 457 HB3 LEU 56 1HB LEU 56 -5.562 7.675 3.521 458 HG LEU 56 HG LEU 56 -2.882 9.014 3.945 459 HD11 LEU 56 1HD1 LEU 56 -2.093 6.917 3.811 460 HD12 LEU 56 2HD1 LEU 56 -2.955 6.654 2.293 461 HD13 LEU 56 3HD1 LEU 56 -3.756 6.333 3.832 462 HD21 LEU 56 3HD2 LEU 56 -3.416 10.003 1.937 463 HD22 LEU 56 1HD2 LEU 56 -4.663 8.812 1.565 464 HD23 LEU 56 2HD2 LEU 56 -2.963 8.422 1.301 465 H ASP 57 H ASP 57 -7.153 8.210 2.722 466 HA ASP 57 HA ASP 57 -9.417 8.204 4.419 467 HB2 ASP 57 2HB ASP 57 -8.995 10.690 3.205 468 HB3 ASP 57 1HB ASP 57 -10.291 9.958 2.270 469 H GLN 58 H GLN 58 -11.523 7.993 2.785 470 HA GLN 58 HA GLN 58 -11.122 5.555 1.367 471 HB2 GLN 58 2HB GLN 58 -13.296 7.607 1.652 472 HB3 GLN 58 1HB GLN 58 -13.500 6.272 0.516 473 HG2 GLN 58 2HG GLN 58 -12.738 4.791 2.552 474 HG3 GLN 58 1HG GLN 58 -13.246 6.184 3.508 475 HE21 GLN 58 1HE2 GLN 58 -15.554 7.035 2.856 476 HE22 GLN 58 2HE2 GLN 58 -16.720 5.848 2.526 477 H SER 59 H SER 59 -11.207 8.929 0.312 478 HA SER 59 HA SER 59 -11.407 8.435 -2.494 479 HB2 SER 59 2HB SER 59 -11.910 10.571 -1.353 480 HB3 SER 59 1HB SER 59 -10.209 10.738 -0.927 481 HG SER 59 HG SER 59 -9.711 10.919 -3.088 482 H GLN 60 H GLN 60 -8.689 8.684 -0.257 483 HA GLN 60 HA GLN 60 -6.617 8.755 -2.272 484 HB2 GLN 60 2HB GLN 60 -6.633 7.890 0.639 485 HB3 GLN 60 1HB GLN 60 -5.195 8.292 -0.294 486 HG2 GLN 60 2HG GLN 60 -7.439 10.275 -0.129 487 HG3 GLN 60 1HG GLN 60 -6.314 10.127 1.220 488 HE21 GLN 60 1HE2 GLN 60 -5.370 12.255 0.758 489 HE22 GLN 60 2HE2 GLN 60 -4.352 12.487 -0.579 490 H LEU 61 H LEU 61 -8.083 6.137 -0.340 491 HA LEU 61 HA LEU 61 -6.380 4.036 -1.277 492 HB2 LEU 61 2HB LEU 61 -9.248 4.064 -0.303 493 HB3 LEU 61 1HB LEU 61 -8.286 2.601 -0.526 494 HG LEU 61 HG LEU 61 -7.094 4.797 1.109 495 HD11 LEU 61 1HD1 LEU 61 -8.797 4.844 2.584 496 HD12 LEU 61 2HD1 LEU 61 -8.484 3.141 2.915 497 HD13 LEU 61 3HD1 LEU 61 -9.665 3.598 1.688 498 HD21 LEU 61 3HD2 LEU 61 -5.633 3.065 1.250 499 HD22 LEU 61 1HD2 LEU 61 -6.828 1.901 0.678 500 HD23 LEU 61 2HD2 LEU 61 -6.788 2.360 2.381 501 H ALA 62 H ALA 62 -9.361 5.455 -2.598 502 HA ALA 62 HA ALA 62 -10.025 3.513 -4.500 503 HB1 ALA 62 1HB ALA 62 -11.248 5.273 -5.521 504 HB2 ALA 62 2HB ALA 62 -10.038 6.478 -5.076 505 HB3 ALA 62 3HB ALA 62 -11.100 5.798 -3.844 506 H LEU 63 H LEU 63 -7.536 6.017 -4.543 507 HA LEU 63 HA LEU 63 -6.680 5.535 -7.239 508 HB2 LEU 63 2HB LEU 63 -5.609 6.875 -4.763 509 HB3 LEU 63 1HB LEU 63 -4.615 6.754 -6.208 510 HG LEU 63 HG LEU 63 -7.340 8.052 -6.006 511 HD11 LEU 63 1HD1 LEU 63 -5.563 9.891 -7.022 512 HD12 LEU 63 2HD1 LEU 63 -4.546 8.999 -5.890 513 HD13 LEU 63 3HD1 LEU 63 -6.021 9.781 -5.322 514 HD21 LEU 63 3HD2 LEU 63 -5.835 6.984 -8.274 515 HD22 LEU 63 1HD2 LEU 63 -6.176 8.706 -8.456 516 HD23 LEU 63 2HD2 LEU 63 -7.499 7.565 -8.211 517 H GLU 64 H GLU 64 -5.390 4.575 -4.039 518 HA GLU 64 HA GLU 64 -3.321 2.921 -5.151 519 HB2 GLU 64 2HB GLU 64 -2.832 2.509 -2.913 520 HB3 GLU 64 1HB GLU 64 -3.794 3.975 -2.748 521 HG2 GLU 64 2HG GLU 64 -5.806 2.601 -2.317 522 HG3 GLU 64 1HG GLU 64 -4.835 1.138 -2.469 523 H LYS 65 H LYS 65 -6.657 2.221 -4.069 524 HA LYS 65 HA LYS 65 -6.386 -0.634 -4.486 525 HB2 LYS 65 2HB LYS 65 -8.317 1.278 -3.552 526 HB3 LYS 65 1HB LYS 65 -9.093 0.232 -4.741 527 HG2 LYS 65 2HG LYS 65 -9.368 -0.936 -2.709 528 HG3 LYS 65 1HG LYS 65 -7.973 -1.718 -3.452 529 HD2 LYS 65 2HD LYS 65 -6.909 -1.290 -1.499 530 HD3 LYS 65 1HD LYS 65 -6.819 0.375 -2.073 531 HE2 LYS 65 2HE LYS 65 -7.796 0.373 0.171 532 HE3 LYS 65 1HE LYS 65 -9.071 0.787 -0.992 533 HZ1 LYS 65 3HZ LYS 65 -9.224 -1.843 -1.082 534 HZ2 LYS 65 1HZ LYS 65 -10.111 -0.930 0.039 535 HZ3 LYS 65 2HZ LYS 65 -8.663 -1.683 0.512 536 H GLU 66 H GLU 66 -7.669 2.033 -6.509 537 HA GLU 66 HA GLU 66 -8.438 0.228 -8.629 538 HB2 GLU 66 2HB GLU 66 -8.022 3.218 -8.420 539 HB3 GLU 66 1HB GLU 66 -8.641 2.434 -9.872 540 HG2 GLU 66 2HG GLU 66 -10.130 1.400 -7.688 541 HG3 GLU 66 1HG GLU 66 -10.072 3.152 -7.485 542 H ILE 67 H ILE 67 -5.655 2.354 -7.994 543 HA ILE 67 HA ILE 67 -4.376 1.711 -10.520 544 HB ILE 67 HB ILE 67 -3.367 3.058 -8.001 545 HG12 ILE 67 2HG1 ILE 67 -5.331 4.241 -8.722 546 HG13 ILE 67 1HG1 ILE 67 -3.977 5.146 -9.382 547 HG21 ILE 67 1HG2 ILE 67 -1.761 2.262 -9.901 548 HG22 ILE 67 2HG2 ILE 67 -1.618 3.912 -9.295 549 HG23 ILE 67 3HG2 ILE 67 -2.459 3.599 -10.813 550 HD11 ILE 67 3HD1 ILE 67 -4.296 3.630 -11.472 551 HD12 ILE 67 1HD1 ILE 67 -5.447 4.941 -11.206 552 HD13 ILE 67 2HD1 ILE 67 -5.883 3.285 -10.779 553 H ILE 68 H ILE 68 -3.963 0.546 -7.128 554 HA ILE 68 HA ILE 68 -1.538 -0.930 -7.749 555 HB ILE 68 HB ILE 68 -3.625 -1.220 -5.567 556 HG12 ILE 68 2HG1 ILE 68 -0.854 0.012 -5.477 557 HG13 ILE 68 1HG1 ILE 68 -2.321 0.956 -5.740 558 HG21 ILE 68 1HG2 ILE 68 -0.932 -2.516 -5.983 559 HG22 ILE 68 2HG2 ILE 68 -2.477 -3.297 -5.641 560 HG23 ILE 68 3HG2 ILE 68 -1.658 -2.368 -4.383 561 HD11 ILE 68 3HD1 ILE 68 -3.232 0.117 -3.595 562 HD12 ILE 68 1HD1 ILE 68 -1.711 0.977 -3.360 563 HD13 ILE 68 2HD1 ILE 68 -1.740 -0.786 -3.326 564 H GLN 69 H GLN 69 -4.973 -1.859 -7.536 565 HA GLN 69 HA GLN 69 -4.706 -4.628 -8.008 566 HB2 GLN 69 2HB GLN 69 -6.755 -2.499 -8.409 567 HB3 GLN 69 1HB GLN 69 -7.039 -4.036 -9.226 568 HG2 GLN 69 2HG GLN 69 -6.531 -3.654 -6.261 569 HG3 GLN 69 1HG GLN 69 -8.069 -4.090 -7.008 570 HE21 GLN 69 1HE2 GLN 69 -6.725 -5.889 -9.012 571 HE22 GLN 69 2HE2 GLN 69 -6.274 -7.275 -8.141 572 H ARG 70 H ARG 70 -4.819 -1.935 -10.356 573 HA ARG 70 HA ARG 70 -5.022 -3.434 -12.725 574 HB2 ARG 70 2HB ARG 70 -4.030 -0.786 -11.842 575 HB3 ARG 70 1HB ARG 70 -3.476 -1.318 -13.431 576 HG2 ARG 70 2HG ARG 70 -5.904 -1.843 -13.973 577 HG3 ARG 70 1HG ARG 70 -6.332 -0.996 -12.485 578 HD2 ARG 70 2HD ARG 70 -4.535 0.722 -13.813 579 HD3 ARG 70 1HD ARG 70 -5.646 0.132 -15.065 580 HE ARG 70 HE ARG 70 -6.775 1.075 -12.473 581 HH11 ARG 70 1HH1 ARG 70 -5.745 2.453 -15.325 582 HH12 ARG 70 2HH1 ARG 70 -7.281 3.112 -15.783 583 HH21 ARG 70 1HH2 ARG 70 -9.032 1.451 -13.294 584 HH22 ARG 70 2HH2 ARG 70 -9.143 2.545 -14.632 585 H ALA 71 H ALA 71 -2.020 -2.388 -11.043 586 HA ALA 71 HA ALA 71 -0.288 -3.704 -12.916 587 HB1 ALA 71 1HB ALA 71 0.040 -2.599 -10.124 588 HB2 ALA 71 2HB ALA 71 0.475 -1.821 -11.645 589 HB3 ALA 71 3HB ALA 71 1.393 -3.213 -11.074 590 H LEU 72 H LEU 72 -1.281 -4.567 -9.586 591 HA LEU 72 HA LEU 72 0.186 -6.967 -9.384 592 HB2 LEU 72 2HB LEU 72 -2.395 -5.973 -8.173 593 HB3 LEU 72 1HB LEU 72 -1.631 -7.476 -7.655 594 HG LEU 72 HG LEU 72 -0.431 -4.694 -7.556 595 HD11 LEU 72 1HD1 LEU 72 -1.161 -6.729 -5.428 596 HD12 LEU 72 2HD1 LEU 72 -1.962 -5.186 -5.721 597 HD13 LEU 72 3HD1 LEU 72 -0.305 -5.219 -5.118 598 HD21 LEU 72 3HD2 LEU 72 1.445 -6.071 -6.360 599 HD22 LEU 72 1HD2 LEU 72 1.411 -6.039 -8.123 600 HD23 LEU 72 2HD2 LEU 72 0.778 -7.437 -7.254 601 H GLU 73 H GLU 73 -3.132 -6.459 -10.592 602 HA GLU 73 HA GLU 73 -3.670 -9.237 -11.043 603 HB2 GLU 73 2HB GLU 73 -5.015 -6.756 -11.158 604 HB3 GLU 73 1HB GLU 73 -5.156 -7.457 -12.766 605 HG2 GLU 73 2HG GLU 73 -5.875 -8.807 -10.150 606 HG3 GLU 73 1HG GLU 73 -7.015 -8.211 -11.357 607 H ASN 74 H ASN 74 -2.575 -6.556 -13.112 608 HA ASN 74 HA ASN 74 -2.464 -7.977 -15.560 609 HB2 ASN 74 2HB ASN 74 -2.160 -5.464 -14.963 610 HB3 ASN 74 1HB ASN 74 -0.479 -5.891 -14.651 611 HD21 ASN 74 1HD2 ASN 74 -1.276 -4.124 -16.809 612 HD22 ASN 74 2HD2 ASN 74 -0.887 -4.893 -18.272 613 H TYR 75 H TYR 75 -0.235 -7.678 -12.826 614 HA TYR 75 HA TYR 75 1.928 -9.167 -14.072 615 HB2 TYR 75 2HB TYR 75 1.564 -7.481 -11.958 616 HB3 TYR 75 1HB TYR 75 1.658 -9.034 -11.139 617 HD1 TYR 75 1HD TYR 75 3.695 -10.439 -11.321 618 HD2 TYR 75 2HD TYR 75 3.421 -6.583 -13.184 619 HE1 TYR 75 1HE TYR 75 6.149 -10.441 -11.678 620 HE2 TYR 75 2HE TYR 75 5.881 -6.578 -13.536 621 HH TYR 75 HH TYR 75 7.855 -9.409 -12.693 622 H GLY 76 H GLY 76 -0.893 -9.980 -12.133 623 HA2 GLY 76 2HA GLY 76 -1.813 -12.251 -12.347 624 HA3 GLY 76 1HA GLY 76 -0.154 -12.829 -12.366 625 H ALA 77 H ALA 77 -0.342 -10.333 -10.172 626 HA ALA 77 HA ALA 77 -0.411 -12.263 -7.904 627 HB1 ALA 77 1HB ALA 77 1.525 -10.733 -8.282 628 HB2 ALA 77 2HB ALA 77 0.745 -10.445 -6.728 629 HB3 ALA 77 3HB ALA 77 0.443 -9.355 -8.081 630 H ARG 78 H ARG 78 -2.337 -12.423 -6.840 631 HA ARG 78 HA ARG 78 -4.092 -9.991 -6.690 632 HB2 ARG 78 2HB ARG 78 -4.538 -12.888 -7.222 633 HB3 ARG 78 1HB ARG 78 -5.766 -12.068 -6.255 634 HG2 ARG 78 2HG ARG 78 -6.296 -10.560 -7.975 635 HG3 ARG 78 1HG ARG 78 -4.767 -10.827 -8.811 636 HD2 ARG 78 2HD ARG 78 -5.509 -12.762 -9.835 637 HD3 ARG 78 1HD ARG 78 -6.580 -13.187 -8.484 638 HE ARG 78 HE ARG 78 -7.479 -10.738 -9.676 639 HH11 ARG 78 1HH2 ARG 78 -6.732 -13.232 -11.623 640 HH12 ARG 78 2HH2 ARG 78 -8.349 -13.695 -12.032 641 HH21 ARG 78 1HH1 ARG 78 -9.816 -11.713 -9.595 642 HH22 ARG 78 2HH1 ARG 78 -10.096 -12.835 -10.884 643 H VAL 79 H VAL 79 -4.691 -9.354 -4.607 644 HA VAL 79 HA VAL 79 -3.314 -10.556 -2.360 645 HB VAL 79 HB VAL 79 -5.583 -8.586 -2.184 646 HG11 VAL 79 1HG1 VAL 79 -3.030 -8.126 -0.793 647 HG12 VAL 79 2HG1 VAL 79 -3.834 -9.628 -0.338 648 HG13 VAL 79 3HG1 VAL 79 -4.678 -8.091 -0.165 649 HG21 VAL 79 3HG2 VAL 79 -4.540 -7.253 -3.694 650 HG22 VAL 79 1HG2 VAL 79 -3.137 -8.320 -3.764 651 HG23 VAL 79 2HG2 VAL 79 -3.245 -7.088 -2.508 652 H GLU 80 H GLU 80 -4.020 -12.337 -1.321 653 HA GLU 80 HA GLU 80 -6.793 -13.267 -1.609 654 HB2 GLU 80 2HB GLU 80 -5.437 -15.110 -1.595 655 HB3 GLU 80 1HB GLU 80 -4.124 -14.235 -0.809 656 HG2 GLU 80 2HG GLU 80 -5.354 -14.449 1.360 657 HG3 GLU 80 1HG GLU 80 -6.550 -15.457 0.543 658 H LYS 81 H LYS 81 -5.169 -11.111 0.423 659 HA LYS 81 HA LYS 81 -7.177 -11.519 2.601 660 HB2 LYS 81 2HB LYS 81 -5.363 -11.174 4.140 661 HB3 LYS 81 1HB LYS 81 -4.816 -12.352 2.950 662 HG2 LYS 81 2HG LYS 81 -3.015 -10.956 2.823 663 HG3 LYS 81 1HG LYS 81 -4.060 -10.086 1.698 664 HD2 LYS 81 2HD LYS 81 -3.160 -8.497 3.304 665 HD3 LYS 81 1HD LYS 81 -4.881 -8.707 3.631 666 HE2 LYS 81 2HE LYS 81 -4.465 -9.530 5.705 667 HE3 LYS 81 1HE LYS 81 -3.241 -10.654 5.082 668 HZ1 LYS 81 3HZ LYS 81 -1.586 -9.169 5.374 669 HZ2 LYS 81 1HZ LYS 81 -2.629 -8.509 6.537 670 HZ3 LYS 81 2HZ LYS 81 -2.555 -7.831 4.980 671 H VAL 82 H VAL 82 -7.608 -9.547 3.841 672 HA VAL 82 HA VAL 82 -6.825 -6.983 2.510 673 HB VAL 82 HB VAL 82 -9.010 -7.493 1.663 674 HG11 VAL 82 1HG1 VAL 82 -10.106 -9.130 2.781 675 HG12 VAL 82 2HG1 VAL 82 -10.719 -7.841 3.817 676 HG13 VAL 82 3HG1 VAL 82 -9.287 -8.752 4.296 677 HG21 VAL 82 3HG2 VAL 82 -9.272 -5.720 4.113 678 HG22 VAL 82 1HG2 VAL 82 -10.457 -5.809 2.811 679 HG23 VAL 82 2HG2 VAL 82 -8.836 -5.197 2.485 680 H GLU 83 H GLU 83 -5.592 -6.104 4.184 681 HA GLU 83 HA GLU 83 -6.854 -6.060 6.907 682 HB2 GLU 83 2HB GLU 83 -4.408 -7.210 5.964 683 HB3 GLU 83 1HB GLU 83 -4.009 -5.879 7.052 684 HG2 GLU 83 2HG GLU 83 -6.217 -7.404 8.125 685 HG3 GLU 83 1HG GLU 83 -4.857 -8.471 7.776 686 H GLU 84 H GLU 84 -7.045 -4.042 7.774 687 HA GLU 84 HA GLU 84 -6.038 -1.724 6.310 688 HB2 GLU 84 2HB GLU 84 -7.928 -2.322 8.551 689 HB3 GLU 84 1HB GLU 84 -7.297 -0.681 8.412 690 HG2 GLU 84 2HG GLU 84 -9.442 -0.994 7.169 691 HG3 GLU 84 1HG GLU 84 -8.108 -0.515 6.120 692 H LEU 85 H LEU 85 -4.090 -0.776 6.825 693 HA LEU 85 HA LEU 85 -2.507 -1.700 9.086 694 HB2 LEU 85 2HB LEU 85 -2.250 -0.150 6.651 695 HB3 LEU 85 1HB LEU 85 -1.405 0.643 7.981 696 HG LEU 85 HG LEU 85 -1.076 -2.278 7.236 697 HD11 LEU 85 1HD1 LEU 85 1.137 -1.577 6.383 698 HD12 LEU 85 2HD1 LEU 85 0.733 0.106 6.725 699 HD13 LEU 85 3HD1 LEU 85 -0.167 -0.786 5.497 700 HD21 LEU 85 3HD2 LEU 85 -0.691 -1.576 9.647 701 HD22 LEU 85 1HD2 LEU 85 0.601 -0.530 9.060 702 HD23 LEU 85 2HD2 LEU 85 0.716 -2.276 8.848 703 H GLY 86 H GLY 86 -5.098 -0.237 9.764 704 HA2 GLY 86 2HA GLY 86 -5.668 1.109 11.617 705 HA3 GLY 86 1HA GLY 86 -3.957 1.478 11.831 706 H LEU 87 H LEU 87 -6.905 2.754 10.827 707 HA LEU 87 HA LEU 87 -6.345 4.479 8.703 708 HB2 LEU 87 2HB LEU 87 -8.428 3.996 10.318 709 HB3 LEU 87 1HB LEU 87 -7.876 5.500 11.053 710 HG LEU 87 HG LEU 87 -7.767 6.033 8.326 711 HD11 LEU 87 1HD1 LEU 87 -10.532 5.226 8.423 712 HD12 LEU 87 2HD1 LEU 87 -9.502 3.820 8.697 713 HD13 LEU 87 3HD1 LEU 87 -9.301 4.791 7.239 714 HD21 LEU 87 3HD2 LEU 87 -8.529 7.553 10.115 715 HD22 LEU 87 1HD2 LEU 87 -9.994 6.592 10.312 716 HD23 LEU 87 2HD2 LEU 87 -9.718 7.480 8.814 717 H ARG 88 H ARG 88 -6.426 7.103 9.410 718 HA ARG 88 HA ARG 88 -3.753 7.606 10.368 719 HB2 ARG 88 2HB ARG 88 -5.897 9.675 9.948 720 HB3 ARG 88 1HB ARG 88 -4.169 9.806 9.621 721 HG2 ARG 88 2HG ARG 88 -4.616 9.274 7.481 722 HG3 ARG 88 1HG ARG 88 -5.053 7.659 8.037 723 HD2 ARG 88 2HD ARG 88 -6.909 8.688 6.741 724 HD3 ARG 88 1HD ARG 88 -7.385 8.450 8.435 725 HE ARG 88 HE ARG 88 -6.179 11.059 7.665 726 HH11 ARG 88 1HH1 ARG 88 -9.112 9.354 7.886 727 HH12 ARG 88 2HH1 ARG 88 -9.956 10.607 8.734 728 HH21 ARG 88 1HH2 ARG 88 -7.146 12.604 9.115 729 HH22 ARG 88 2HH2 ARG 88 -8.841 12.448 9.430 730 H ARG 89 H ARG 89 -3.175 8.125 12.458 731 HA ARG 89 HA ARG 89 -5.383 8.714 14.397 732 HB2 ARG 89 2HB ARG 89 -2.830 7.148 14.475 733 HB3 ARG 89 1HB ARG 89 -3.451 7.835 15.975 734 HG2 ARG 89 2HG ARG 89 -5.719 6.756 15.222 735 HG3 ARG 89 1HG ARG 89 -4.691 5.750 14.200 736 HD2 ARG 89 2HD ARG 89 -3.419 4.993 16.153 737 HD3 ARG 89 1HD ARG 89 -4.367 6.063 17.206 738 HE ARG 89 HE ARG 89 -6.060 4.327 15.600 739 HH11 ARG 89 1HH2 ARG 89 -6.010 5.321 18.620 740 HH12 ARG 89 2HH2 ARG 89 -6.041 3.779 19.407 741 HH21 ARG 89 1HH1 ARG 89 -5.289 1.999 16.527 742 HH22 ARG 89 2HH1 ARG 89 -5.633 1.898 18.222 743 H LEU 90 H LEU 90 -4.112 10.675 12.785 744 HA LEU 90 HA LEU 90 -1.950 12.120 13.717 745 HB2 LEU 90 2HB LEU 90 -4.084 12.509 12.019 746 HB3 LEU 90 1HB LEU 90 -4.357 13.753 13.239 747 HG LEU 90 HG LEU 90 -1.631 13.361 12.013 748 HD11 LEU 90 1HD1 LEU 90 -3.787 15.225 10.980 749 HD12 LEU 90 2HD1 LEU 90 -3.354 13.702 10.206 750 HD13 LEU 90 3HD1 LEU 90 -2.168 15.003 10.316 751 HD21 LEU 90 3HD2 LEU 90 -2.686 16.024 12.753 752 HD22 LEU 90 1HD2 LEU 90 -1.117 15.298 13.104 753 HD23 LEU 90 2HD2 LEU 90 -2.517 14.897 14.099 754 H ALA 91 H ALA 91 -1.433 12.650 15.800 755 HA ALA 91 HA ALA 91 -3.644 13.369 17.689 756 HB1 ALA 91 1HB ALA 91 -2.532 11.869 18.968 757 HB2 ALA 91 2HB ALA 91 -1.201 13.023 19.054 758 HB3 ALA 91 3HB ALA 91 -1.213 11.782 17.801 759 H TYR 92 H TYR 92 -0.371 14.330 16.630 760 HA TYR 92 HA TYR 92 -0.809 17.026 17.851 761 HB2 TYR 92 2HB TYR 92 1.608 15.425 16.975 762 HB3 TYR 92 1HB TYR 92 1.721 17.135 17.397 763 HD1 TYR 92 1HD TYR 92 1.000 17.893 19.699 764 HD2 TYR 92 2HD TYR 92 1.431 13.747 18.658 765 HE1 TYR 92 1HE TYR 92 1.076 17.297 22.105 766 HE2 TYR 92 2HE TYR 92 1.507 13.152 21.064 767 HH TYR 92 HH TYR 92 1.942 14.116 23.183 768 HA PRO 93 HA PRO 93 -1.398 18.649 13.799 769 HB2 PRO 93 2HB PRO 93 -0.730 21.259 14.288 770 HB3 PRO 93 1HB PRO 93 -2.260 20.532 14.818 771 HG2 PRO 93 2HG PRO 93 0.226 21.049 16.373 772 HG3 PRO 93 1HG PRO 93 -1.467 21.234 16.857 773 HD2 PRO 93 2HD PRO 93 0.065 19.113 17.596 774 HD3 PRO 93 1HD PRO 93 -1.698 19.014 17.385 775 H ILE 94 H ILE 94 1.514 20.085 15.360 776 HA ILE 94 HA ILE 94 2.986 19.544 12.799 777 HB ILE 94 HB ILE 94 3.373 21.738 14.861 778 HG12 ILE 94 2HG1 ILE 94 2.072 21.763 12.118 779 HG13 ILE 94 1HG1 ILE 94 1.250 22.000 13.660 780 HG21 ILE 94 1HG2 ILE 94 4.451 22.323 12.278 781 HG22 ILE 94 2HG2 ILE 94 5.047 20.739 12.771 782 HG23 ILE 94 3HG2 ILE 94 5.317 22.144 13.803 783 HD11 ILE 94 3HD1 ILE 94 2.100 24.125 13.948 784 HD12 ILE 94 1HD1 ILE 94 2.061 24.073 12.186 785 HD13 ILE 94 2HD1 ILE 94 3.572 23.772 13.042 786 H ALA 95 H ALA 95 4.526 17.993 13.065 787 HA ALA 95 HA ALA 95 5.355 16.988 15.642 788 HB1 ALA 95 1HB ALA 95 5.341 15.561 13.713 789 HB2 ALA 95 2HB ALA 95 7.040 15.790 14.127 790 HB3 ALA 95 3HB ALA 95 6.328 16.692 12.789 791 H LYS 96 H LYS 96 7.349 18.566 13.107 792 HA LYS 96 HA LYS 96 9.592 19.103 14.771 793 HB2 LYS 96 2HB LYS 96 10.013 20.848 12.935 794 HB3 LYS 96 1HB LYS 96 9.774 19.189 12.389 795 HG2 LYS 96 2HG LYS 96 7.640 19.620 11.564 796 HG3 LYS 96 1HG LYS 96 7.394 20.998 12.637 797 HD2 LYS 96 2HD LYS 96 7.919 22.281 10.851 798 HD3 LYS 96 1HD LYS 96 9.586 21.772 11.131 799 HE2 LYS 96 2HE LYS 96 8.599 19.624 9.729 800 HE3 LYS 96 1HE LYS 96 7.728 20.977 8.980 801 HZ1 LYS 96 3HZ LYS 96 10.660 20.731 9.380 802 HZ2 LYS 96 1HZ LYS 96 9.897 22.169 8.903 803 HZ3 LYS 96 2HZ LYS 96 9.828 20.800 7.900 Start of MODEL 14 1 H1 MET 1 1HT MET 1 1.902 9.738 10.629 2 H2 MET 1 2HT MET 1 1.265 9.592 9.063 3 H3 MET 1 3HT MET 1 0.248 9.440 10.415 4 HA MET 1 HA MET 1 1.750 11.934 9.877 5 HB2 MET 1 2HB MET 1 -0.248 12.694 8.668 6 HB3 MET 1 1HB MET 1 0.429 11.264 7.895 7 HG2 MET 1 2HG MET 1 -1.284 10.112 9.667 8 HG3 MET 1 1HG MET 1 -2.152 11.595 9.303 9 HE1 MET 1 2HE MET 1 0.289 9.948 6.486 10 HE2 MET 1 3HE MET 1 -0.653 8.470 6.318 11 HE3 MET 1 1HE MET 1 0.020 8.921 7.889 12 H ASP 2 H ASP 2 0.737 13.706 11.044 13 HA ASP 2 HA ASP 2 -0.179 12.917 13.677 14 HB2 ASP 2 2HB ASP 2 1.395 14.768 13.138 15 HB3 ASP 2 1HB ASP 2 0.059 15.642 12.389 16 HA PRO 3 HA PRO 3 -4.236 14.873 12.349 17 HB2 PRO 3 2HB PRO 3 -4.888 14.906 9.694 18 HB3 PRO 3 1HB PRO 3 -3.993 16.216 10.486 19 HG2 PRO 3 2HG PRO 3 -3.053 14.187 8.606 20 HG3 PRO 3 1HG PRO 3 -2.349 15.752 9.017 21 HD2 PRO 3 2HD PRO 3 -1.536 13.165 9.933 22 HD3 PRO 3 1HD PRO 3 -0.859 14.749 10.384 23 H GLN 4 H GLN 4 -2.901 11.993 11.263 24 HA GLN 4 HA GLN 4 -5.119 10.382 11.989 25 HB2 GLN 4 2HB GLN 4 -5.628 9.675 9.522 26 HB3 GLN 4 1HB GLN 4 -6.343 11.149 10.161 27 HG2 GLN 4 2HG GLN 4 -3.982 12.114 9.161 28 HG3 GLN 4 1HG GLN 4 -4.334 10.815 8.026 29 HE21 GLN 4 1HE2 GLN 4 -6.191 11.027 6.653 30 HE22 GLN 4 2HE2 GLN 4 -7.120 12.446 6.586 31 H GLY 5 H GLY 5 -3.690 9.394 8.978 32 HA2 GLY 5 2HA GLY 5 -1.373 8.365 8.950 33 HA3 GLY 5 1HA GLY 5 -1.757 7.721 10.546 34 H TYR 6 H TYR 6 -2.285 7.365 7.113 35 HA TYR 6 HA TYR 6 -4.289 5.233 7.515 36 HB2 TYR 6 2HB TYR 6 -3.383 6.957 5.438 37 HB3 TYR 6 1HB TYR 6 -3.183 5.296 4.876 38 HD1 TYR 6 2HD TYR 6 -5.654 7.583 6.512 39 HD2 TYR 6 1HD TYR 6 -5.041 4.052 4.146 40 HE1 TYR 6 2HE TYR 6 -8.099 7.406 6.142 41 HE2 TYR 6 1HE TYR 6 -7.486 3.874 3.779 42 HH TYR 6 HH TYR 6 -9.611 6.340 4.317 43 H PHE 7 H PHE 7 -3.913 3.027 7.213 44 HA PHE 7 HA PHE 7 -1.176 2.110 6.647 45 HB2 PHE 7 2HB PHE 7 -2.769 1.711 9.177 46 HB3 PHE 7 1HB PHE 7 -1.468 0.607 8.731 47 HD1 PHE 7 2HD PHE 7 0.862 1.520 8.371 48 HD2 PHE 7 1HD PHE 7 -2.302 3.861 10.089 49 HE1 PHE 7 2HE PHE 7 2.533 3.120 9.265 50 HE2 PHE 7 1HE PHE 7 -0.632 5.461 10.986 51 HZ PHE 7 HZ PHE 7 1.784 5.090 10.574 52 H LEU 8 H LEU 8 -1.364 0.438 5.197 53 HA LEU 8 HA LEU 8 -3.749 -1.297 5.377 54 HB2 LEU 8 2HB LEU 8 -2.540 -0.003 2.921 55 HB3 LEU 8 1HB LEU 8 -3.867 -1.164 2.887 56 HG LEU 8 HG LEU 8 -5.051 0.457 4.530 57 HD11 LEU 8 1HD1 LEU 8 -2.572 1.828 4.101 58 HD12 LEU 8 2HD1 LEU 8 -3.933 2.324 5.106 59 HD13 LEU 8 3HD1 LEU 8 -3.869 2.802 3.409 60 HD21 LEU 8 3HD2 LEU 8 -4.877 1.924 2.002 61 HD22 LEU 8 1HD2 LEU 8 -6.248 1.070 2.709 62 HD23 LEU 8 2HD2 LEU 8 -5.052 0.186 1.761 63 H TRP 9 H TRP 9 -3.169 -3.431 5.409 64 HA TRP 9 HA TRP 9 -0.369 -4.156 4.709 65 HB2 TRP 9 2HB TRP 9 -2.095 -4.768 6.785 66 HB3 TRP 9 1HB TRP 9 -2.199 -6.205 5.768 67 HD1 TRP 9 HD TRP 9 0.816 -6.088 4.673 68 HE1 TRP 9 1HE TRP 9 2.733 -6.776 6.253 69 HE3 TRP 9 3HE TRP 9 -1.502 -5.488 9.187 70 HZ2 TRP 9 2HZ TRP 9 3.219 -7.038 9.062 71 HZ3 TRP 9 3HZ TRP 9 -0.289 -5.966 11.295 72 HH2 TRP 9 HH TRP 9 2.066 -6.738 11.238 73 H TYR 10 H TYR 10 0.037 -5.190 2.772 74 HA TYR 10 HA TYR 10 -2.267 -6.534 1.400 75 HB2 TYR 10 2HB TYR 10 -1.960 -4.587 0.169 76 HB3 TYR 10 1HB TYR 10 -0.239 -4.506 0.533 77 HD1 TYR 10 1HD TYR 10 1.333 -6.113 -0.596 78 HD2 TYR 10 2HD TYR 10 -2.762 -5.679 -1.787 79 HE1 TYR 10 1HE TYR 10 1.860 -7.183 -2.769 80 HE2 TYR 10 2HE TYR 10 -2.242 -6.750 -3.963 81 HH TYR 10 HH TYR 10 1.047 -7.433 -4.936 82 H GLN 11 H GLN 11 -1.826 -8.692 1.182 83 HA GLN 11 HA GLN 11 1.000 -9.570 1.008 84 HB2 GLN 11 2HB GLN 11 -0.467 -10.273 2.959 85 HB3 GLN 11 1HB GLN 11 -1.441 -11.171 1.794 86 HG2 GLN 11 2HG GLN 11 0.144 -12.790 1.512 87 HG3 GLN 11 1HG GLN 11 1.480 -11.647 1.649 88 HE21 GLN 11 1HE2 GLN 11 0.474 -14.304 3.168 89 HE22 GLN 11 2HE2 GLN 11 0.800 -13.907 4.786 90 H VAL 12 H VAL 12 1.402 -11.427 -0.486 91 HA VAL 12 HA VAL 12 -0.685 -11.697 -2.617 92 HB VAL 12 HB VAL 12 1.060 -11.400 -4.297 93 HG11 VAL 12 1HG1 VAL 12 1.170 -9.267 -2.153 94 HG12 VAL 12 2HG1 VAL 12 -0.055 -9.399 -3.418 95 HG13 VAL 12 3HG1 VAL 12 1.619 -9.046 -3.845 96 HG21 VAL 12 3HG2 VAL 12 3.001 -12.329 -3.291 97 HG22 VAL 12 1HG2 VAL 12 2.852 -11.304 -1.864 98 HG23 VAL 12 2HG2 VAL 12 3.347 -10.604 -3.405 99 H GLU 13 H GLU 13 0.140 -13.479 -4.213 100 HA GLU 13 HA GLU 13 1.380 -15.732 -2.674 101 HB2 GLU 13 2HB GLU 13 -0.389 -17.109 -3.978 102 HB3 GLU 13 1HB GLU 13 -0.958 -16.151 -2.614 103 HG2 GLU 13 2HG GLU 13 -1.851 -14.471 -4.023 104 HG3 GLU 13 1HG GLU 13 -0.926 -15.031 -5.416 105 H MET 14 H MET 14 3.031 -14.348 -4.290 106 HA MET 14 HA MET 14 3.246 -16.068 -6.725 107 HB2 MET 14 2HB MET 14 4.105 -13.762 -7.721 108 HB3 MET 14 1HB MET 14 2.388 -14.138 -7.697 109 HG2 MET 14 2HG MET 14 2.630 -11.902 -6.850 110 HG3 MET 14 1HG MET 14 2.274 -12.926 -5.462 111 HE1 MET 14 3HE MET 14 4.372 -9.839 -4.924 112 HE2 MET 14 1HE MET 14 3.517 -10.241 -6.419 113 HE3 MET 14 2HE MET 14 5.273 -10.103 -6.414 114 HA PRO 15 HA PRO 15 7.448 -16.441 -5.509 115 HB2 PRO 15 2HB PRO 15 8.607 -16.840 -7.951 116 HB3 PRO 15 1HB PRO 15 7.715 -18.077 -7.081 117 HG2 PRO 15 2HG PRO 15 6.861 -16.369 -9.350 118 HG3 PRO 15 1HG PRO 15 6.456 -18.058 -9.006 119 HD2 PRO 15 2HD PRO 15 4.747 -15.981 -8.545 120 HD3 PRO 15 1HD PRO 15 4.720 -17.498 -7.621 121 H GLU 16 H GLU 16 9.653 -15.861 -6.742 122 HA GLU 16 HA GLU 16 10.064 -13.044 -6.462 123 HB2 GLU 16 2HB GLU 16 11.627 -15.114 -6.275 124 HB3 GLU 16 1HB GLU 16 11.773 -14.969 -8.024 125 HG2 GLU 16 2HG GLU 16 12.179 -12.377 -7.236 126 HG3 GLU 16 1HG GLU 16 12.912 -13.266 -5.900 127 H ASP 17 H ASP 17 9.210 -15.153 -9.067 128 HA ASP 17 HA ASP 17 9.996 -13.639 -11.323 129 HB2 ASP 17 2HB ASP 17 9.112 -16.016 -11.138 130 HB3 ASP 17 1HB ASP 17 7.497 -15.317 -11.023 131 H ARG 18 H ARG 18 7.003 -13.507 -9.411 132 HA ARG 18 HA ARG 18 5.921 -11.330 -11.099 133 HB2 ARG 18 2HB ARG 18 4.634 -12.201 -8.552 134 HB3 ARG 18 1HB ARG 18 3.901 -11.885 -10.124 135 HG2 ARG 18 2HG ARG 18 5.207 -13.995 -10.907 136 HG3 ARG 18 1HG ARG 18 5.355 -14.347 -9.185 137 HD2 ARG 18 2HD ARG 18 3.208 -15.089 -9.105 138 HD3 ARG 18 1HD ARG 18 2.618 -13.603 -9.876 139 HE ARG 18 HE ARG 18 3.912 -15.740 -11.517 140 HH11 ARG 18 1HH2 ARG 18 2.943 -13.345 -12.927 141 HH12 ARG 18 2HH2 ARG 18 1.345 -13.799 -13.417 142 HH21 ARG 18 1HH1 ARG 18 1.139 -16.466 -11.211 143 HH22 ARG 18 2HH1 ARG 18 0.324 -15.566 -12.447 144 H VAL 19 H VAL 19 7.763 -11.661 -8.234 145 HA VAL 19 HA VAL 19 7.051 -9.532 -6.580 146 HB VAL 19 HB VAL 19 9.703 -10.657 -7.481 147 HG11 VAL 19 1HG1 VAL 19 10.221 -9.349 -5.105 148 HG12 VAL 19 2HG1 VAL 19 9.193 -8.197 -5.956 149 HG13 VAL 19 3HG1 VAL 19 10.685 -8.765 -6.703 150 HG21 VAL 19 3HG2 VAL 19 8.466 -12.165 -6.124 151 HG22 VAL 19 1HG2 VAL 19 7.935 -10.881 -5.042 152 HG23 VAL 19 2HG2 VAL 19 9.617 -11.410 -5.024 153 H ASN 20 H ASN 20 8.828 -9.357 -9.655 154 HA ASN 20 HA ASN 20 9.667 -6.670 -9.622 155 HB2 ASN 20 2HB ASN 20 10.091 -8.520 -11.316 156 HB3 ASN 20 1HB ASN 20 8.495 -8.173 -11.982 157 HD21 ASN 20 1HD2 ASN 20 10.912 -7.784 -13.506 158 HD22 ASN 20 2HD2 ASN 20 11.087 -6.120 -13.793 159 H ASP 21 H ASP 21 6.457 -8.018 -10.117 160 HA ASP 21 HA ASP 21 5.143 -5.808 -11.292 161 HB2 ASP 21 2HB ASP 21 4.378 -8.219 -10.833 162 HB3 ASP 21 1HB ASP 21 3.989 -7.667 -9.206 163 H LEU 22 H LEU 22 5.803 -6.571 -7.889 164 HA LEU 22 HA LEU 22 4.280 -4.500 -6.670 165 HB2 LEU 22 2HB LEU 22 6.763 -6.066 -6.005 166 HB3 LEU 22 1HB LEU 22 6.220 -4.787 -4.916 167 HG LEU 22 HG LEU 22 5.304 -7.057 -4.340 168 HD11 LEU 22 1HD1 LEU 22 2.780 -6.053 -4.693 169 HD12 LEU 22 2HD1 LEU 22 3.760 -4.598 -4.870 170 HD13 LEU 22 3HD1 LEU 22 3.870 -5.561 -3.396 171 HD21 LEU 22 3HD2 LEU 22 3.564 -7.991 -5.799 172 HD22 LEU 22 1HD2 LEU 22 5.080 -7.845 -6.689 173 HD23 LEU 22 2HD2 LEU 22 3.792 -6.666 -6.942 174 H ALA 23 H ALA 23 7.615 -4.479 -7.916 175 HA ALA 23 HA ALA 23 8.422 -1.925 -7.066 176 HB1 ALA 23 1HB ALA 23 9.224 -2.698 -9.791 177 HB2 ALA 23 2HB ALA 23 9.400 -3.993 -8.606 178 HB3 ALA 23 3HB ALA 23 10.223 -2.452 -8.360 179 H ARG 24 H ARG 24 6.897 -2.808 -10.196 180 HA ARG 24 HA ARG 24 6.598 -0.110 -11.090 181 HB2 ARG 24 2HB ARG 24 6.604 -1.744 -12.755 182 HB3 ARG 24 1HB ARG 24 5.610 -2.848 -11.807 183 HG2 ARG 24 2HG ARG 24 3.639 -1.805 -12.402 184 HG3 ARG 24 1HG ARG 24 4.417 -0.246 -12.662 185 HD2 ARG 24 2HD ARG 24 3.694 -1.361 -14.807 186 HD3 ARG 24 1HD ARG 24 5.443 -1.069 -14.738 187 HE ARG 24 HE ARG 24 5.455 -3.508 -13.721 188 HH11 ARG 24 1HH1 ARG 24 2.509 -3.792 -14.478 189 HH12 ARG 24 2HH1 ARG 24 2.635 -4.641 -15.982 190 HH21 ARG 24 1HH2 ARG 24 6.007 -3.939 -16.398 191 HH22 ARG 24 2HH2 ARG 24 4.618 -4.724 -17.070 192 H GLU 25 H GLU 25 4.409 -2.410 -9.471 193 HA GLU 25 HA GLU 25 2.021 -0.925 -9.524 194 HB2 GLU 25 2HB GLU 25 2.358 -3.278 -8.775 195 HB3 GLU 25 1HB GLU 25 3.160 -2.679 -7.326 196 HG2 GLU 25 2HG GLU 25 0.834 -1.236 -7.280 197 HG3 GLU 25 1HG GLU 25 0.284 -2.757 -7.983 198 H LEU 26 H LEU 26 4.603 -0.932 -7.068 199 HA LEU 26 HA LEU 26 3.455 1.079 -5.371 200 HB2 LEU 26 2HB LEU 26 6.294 0.127 -5.852 201 HB3 LEU 26 1HB LEU 26 5.816 1.154 -4.500 202 HG LEU 26 HG LEU 26 4.315 -1.398 -4.973 203 HD11 LEU 26 1HD1 LEU 26 6.142 -2.674 -4.655 204 HD12 LEU 26 2HD1 LEU 26 6.358 -1.912 -3.078 205 HD13 LEU 26 3HD1 LEU 26 7.155 -1.238 -4.500 206 HD21 LEU 26 3HD2 LEU 26 4.167 0.632 -3.115 207 HD22 LEU 26 1HD2 LEU 26 5.162 -0.558 -2.276 208 HD23 LEU 26 2HD2 LEU 26 3.560 -1.005 -2.862 209 H ARG 27 H ARG 27 5.749 1.271 -8.096 210 HA ARG 27 HA ARG 27 6.476 4.005 -7.800 211 HB2 ARG 27 2HB ARG 27 7.724 3.441 -9.604 212 HB3 ARG 27 1HB ARG 27 6.998 1.845 -9.479 213 HG2 ARG 27 2HG ARG 27 6.641 2.517 -11.733 214 HG3 ARG 27 1HG ARG 27 5.091 2.774 -10.933 215 HD2 ARG 27 2HD ARG 27 6.436 5.177 -10.505 216 HD3 ARG 27 1HD ARG 27 6.865 4.741 -12.170 217 HE ARG 27 HE ARG 27 4.149 4.186 -12.004 218 HH11 ARG 27 1HH2 ARG 27 3.784 6.341 -10.070 219 HH12 ARG 27 2HH2 ARG 27 3.626 7.754 -11.061 220 HH21 ARG 27 1HH1 ARG 27 4.982 6.252 -13.878 221 HH22 ARG 27 2HH1 ARG 27 4.304 7.703 -13.219 222 H ILE 28 H ILE 28 3.662 2.566 -9.478 223 HA ILE 28 HA ILE 28 2.779 4.911 -10.792 224 HB ILE 28 HB ILE 28 1.187 2.608 -9.627 225 HG12 ILE 28 2HG1 ILE 28 2.206 2.869 -12.459 226 HG13 ILE 28 1HG1 ILE 28 3.188 2.111 -11.205 227 HG21 ILE 28 1HG2 ILE 28 -0.480 3.171 -11.273 228 HG22 ILE 28 2HG2 ILE 28 0.578 4.370 -12.011 229 HG23 ILE 28 3HG2 ILE 28 -0.087 4.654 -10.404 230 HD11 ILE 28 3HD1 ILE 28 1.183 0.875 -12.724 231 HD12 ILE 28 1HD1 ILE 28 0.457 1.118 -11.135 232 HD13 ILE 28 2HD1 ILE 28 1.967 0.217 -11.288 233 H ARG 29 H ARG 29 1.970 3.641 -7.545 234 HA ARG 29 HA ARG 29 0.182 5.847 -6.909 235 HB2 ARG 29 2HB ARG 29 0.271 4.793 -4.661 236 HB3 ARG 29 1HB ARG 29 0.026 3.589 -5.928 237 HG2 ARG 29 2HG ARG 29 2.217 2.784 -5.773 238 HG3 ARG 29 1HG ARG 29 2.814 4.270 -5.031 239 HD2 ARG 29 2HD ARG 29 2.703 2.567 -3.298 240 HD3 ARG 29 1HD ARG 29 1.374 3.707 -3.006 241 HE ARG 29 HE ARG 29 -0.177 2.075 -3.861 242 HH11 ARG 29 1HH1 ARG 29 1.250 0.155 -2.178 243 HH12 ARG 29 2HH1 ARG 29 1.715 -1.090 -3.289 244 HH21 ARG 29 1HH2 ARG 29 1.221 0.876 -6.105 245 HH22 ARG 29 2HH2 ARG 29 1.698 -0.681 -5.514 246 H ASP 30 H ASP 30 2.258 7.267 -7.773 247 HA ASP 30 HA ASP 30 4.475 7.809 -6.123 248 HB2 ASP 30 2HB ASP 30 3.234 8.836 -8.402 249 HB3 ASP 30 1HB ASP 30 3.229 10.190 -7.271 250 H ASN 31 H ASN 31 1.100 8.626 -5.652 251 HA ASN 31 HA ASN 31 1.307 10.794 -3.834 252 HB2 ASN 31 2HB ASN 31 -0.940 10.040 -3.150 253 HB3 ASN 31 1HB ASN 31 -0.763 9.912 -4.896 254 HD21 ASN 31 1HD2 ASN 31 -2.649 8.322 -3.466 255 HD22 ASN 31 2HD2 ASN 31 -2.163 6.707 -3.585 256 H VAL 32 H VAL 32 2.202 7.479 -3.449 257 HA VAL 32 HA VAL 32 1.947 7.399 -0.537 258 HB VAL 32 HB VAL 32 1.829 5.509 -2.288 259 HG11 VAL 32 1HG1 VAL 32 3.920 4.526 -2.985 260 HG12 VAL 32 2HG1 VAL 32 4.838 5.648 -1.980 261 HG13 VAL 32 3HG1 VAL 32 3.980 6.239 -3.402 262 HG21 VAL 32 3HG2 VAL 32 2.203 5.404 0.311 263 HG22 VAL 32 1HG2 VAL 32 3.826 4.882 -0.140 264 HG23 VAL 32 2HG2 VAL 32 2.424 3.953 -0.667 265 H ARG 33 H ARG 33 3.562 7.904 0.945 266 HA ARG 33 HA ARG 33 5.905 9.368 -0.005 267 HB2 ARG 33 2HB ARG 33 4.530 8.708 2.551 268 HB3 ARG 33 1HB ARG 33 6.246 9.105 2.665 269 HG2 ARG 33 2HG ARG 33 4.574 10.875 0.950 270 HG3 ARG 33 1HG ARG 33 4.329 10.996 2.693 271 HD2 ARG 33 2HD ARG 33 6.448 11.841 3.069 272 HD3 ARG 33 1HD ARG 33 7.153 10.957 1.700 273 HE ARG 33 HE ARG 33 5.323 12.734 0.552 274 HH11 ARG 33 1HH1 ARG 33 8.553 12.556 1.018 275 HH12 ARG 33 2HH1 ARG 33 8.852 14.257 1.137 276 HH21 ARG 33 1HH2 ARG 33 5.498 15.101 1.384 277 HH22 ARG 33 2HH2 ARG 33 7.124 15.698 1.345 278 H ARG 34 H ARG 34 5.413 6.259 1.754 279 HA ARG 34 HA ARG 34 7.954 5.285 0.573 280 HB2 ARG 34 2HB ARG 34 8.672 6.451 2.576 281 HB3 ARG 34 1HB ARG 34 7.438 5.639 3.539 282 HG2 ARG 34 2HG ARG 34 9.491 4.470 3.948 283 HG3 ARG 34 1HG ARG 34 8.534 3.441 2.882 284 HD2 ARG 34 2HD ARG 34 9.940 3.776 1.075 285 HD3 ARG 34 1HD ARG 34 10.388 5.412 1.598 286 HE ARG 34 HE ARG 34 11.472 2.890 2.771 287 HH11 ARG 34 1HH1 ARG 34 12.842 5.290 1.245 288 HH12 ARG 34 2HH1 ARG 34 13.722 5.990 2.562 289 HH21 ARG 34 1HH2 ARG 34 11.990 4.233 4.998 290 HH22 ARG 34 2HH2 ARG 34 13.239 5.392 4.689 291 H VAL 35 H VAL 35 7.492 3.243 -0.111 292 HA VAL 35 HA VAL 35 5.442 1.649 1.362 293 HB VAL 35 HB VAL 35 5.016 0.620 -0.754 294 HG11 VAL 35 1HG1 VAL 35 3.964 2.463 -1.495 295 HG12 VAL 35 2HG1 VAL 35 5.487 3.095 -2.120 296 HG13 VAL 35 3HG1 VAL 35 4.999 3.450 -0.464 297 HG21 VAL 35 3HG2 VAL 35 7.341 0.210 -1.411 298 HG22 VAL 35 1HG2 VAL 35 7.587 1.935 -1.682 299 HG23 VAL 35 2HG2 VAL 35 6.490 1.026 -2.721 300 H MET 36 H MET 36 6.127 -0.282 2.304 301 HA MET 36 HA MET 36 8.873 -1.204 1.672 302 HB2 MET 36 2HB MET 36 8.561 -0.027 3.868 303 HB3 MET 36 1HB MET 36 7.437 -1.306 4.330 304 HG2 MET 36 2HG MET 36 9.152 -2.975 4.230 305 HG3 MET 36 1HG MET 36 10.273 -1.867 3.436 306 HE1 MET 36 3HE MET 36 8.800 -1.925 7.738 307 HE2 MET 36 1HE MET 36 8.034 -2.550 6.270 308 HE3 MET 36 2HE MET 36 7.924 -0.836 6.665 309 H VAL 37 H VAL 37 8.735 -3.164 0.656 310 HA VAL 37 HA VAL 37 6.540 -5.038 1.483 311 HB VAL 37 HB VAL 37 8.128 -4.940 -1.102 312 HG11 VAL 37 1HG1 VAL 37 6.452 -6.896 -0.021 313 HG12 VAL 37 2HG1 VAL 37 6.935 -6.755 -1.712 314 HG13 VAL 37 3HG1 VAL 37 5.424 -6.027 -1.162 315 HG21 VAL 37 3HG2 VAL 37 6.521 -2.923 -0.355 316 HG22 VAL 37 1HG2 VAL 37 5.289 -4.029 -0.958 317 HG23 VAL 37 2HG2 VAL 37 6.586 -3.491 -2.022 318 H VAL 38 H VAL 38 7.258 -6.853 2.550 319 HA VAL 38 HA VAL 38 10.140 -7.622 2.254 320 HB VAL 38 HB VAL 38 9.924 -8.435 4.534 321 HG11 VAL 38 1HG1 VAL 38 8.728 -5.702 4.043 322 HG12 VAL 38 2HG1 VAL 38 10.397 -6.096 4.455 323 HG13 VAL 38 3HG1 VAL 38 9.123 -6.287 5.660 324 HG21 VAL 38 3HG2 VAL 38 6.991 -7.814 4.121 325 HG22 VAL 38 1HG2 VAL 38 7.698 -8.082 5.713 326 HG23 VAL 38 2HG2 VAL 38 7.715 -9.373 4.511 327 H ALA 39 H ALA 39 10.571 -9.682 1.528 328 HA ALA 39 HA ALA 39 8.334 -11.388 0.663 329 HB1 ALA 39 1HB ALA 39 10.714 -10.804 -0.401 330 HB2 ALA 39 2HB ALA 39 9.932 -12.361 -0.685 331 HB3 ALA 39 3HB ALA 39 11.197 -12.222 0.535 332 H SER 40 H SER 40 8.085 -13.596 1.338 333 HA SER 40 HA SER 40 8.505 -14.040 4.184 334 HB2 SER 40 2HB SER 40 7.659 -16.410 3.241 335 HB3 SER 40 1HB SER 40 6.569 -15.035 3.406 336 HG SER 40 HG SER 40 6.719 -16.204 1.284 337 H THR 41 H THR 41 9.296 -16.582 4.552 338 HA THR 41 HA THR 41 12.123 -16.569 3.595 339 HB THR 41 HB THR 41 11.652 -16.565 6.015 340 HG1 THR 41 1HG THR 41 12.951 -18.305 6.506 341 HG21 THR 41 3HG2 THR 41 9.899 -18.844 5.209 342 HG22 THR 41 1HG2 THR 41 9.616 -17.577 6.401 343 HG23 THR 41 2HG2 THR 41 10.682 -18.927 6.787 344 H THR 42 H THR 42 9.354 -17.850 2.464 345 HA THR 42 HA THR 42 10.726 -20.119 1.207 346 HB THR 42 HB THR 42 8.747 -20.337 3.439 347 HG1 THR 42 1HG THR 42 11.207 -21.260 2.739 348 HG21 THR 42 3HG2 THR 42 8.968 -22.385 1.215 349 HG22 THR 42 1HG2 THR 42 7.573 -21.347 1.503 350 HG23 THR 42 2HG2 THR 42 8.030 -22.560 2.697 351 HA PRO 43 HA PRO 43 6.371 -19.769 -0.715 352 HB2 PRO 43 2HB PRO 43 4.534 -18.123 0.481 353 HB3 PRO 43 1HB PRO 43 4.714 -19.841 0.894 354 HG2 PRO 43 2HG PRO 43 5.759 -17.434 2.309 355 HG3 PRO 43 1HG PRO 43 5.053 -18.915 2.975 356 HD2 PRO 43 2HD PRO 43 7.719 -18.464 2.929 357 HD3 PRO 43 1HD PRO 43 7.018 -20.091 2.806 358 H GLY 44 H GLY 44 4.992 -17.771 -1.722 359 HA2 GLY 44 2HA GLY 44 6.956 -15.632 -2.224 360 HA3 GLY 44 1HA GLY 44 5.725 -16.133 -3.375 361 H ARG 45 H ARG 45 5.139 -15.681 0.059 362 HA ARG 45 HA ARG 45 3.101 -13.620 -0.605 363 HB2 ARG 45 2HB ARG 45 3.701 -15.542 1.604 364 HB3 ARG 45 1HB ARG 45 2.774 -14.096 2.006 365 HG2 ARG 45 2HG ARG 45 0.983 -14.701 0.678 366 HG3 ARG 45 1HG ARG 45 1.983 -15.652 -0.421 367 HD2 ARG 45 2HD ARG 45 2.360 -17.200 1.669 368 HD3 ARG 45 1HD ARG 45 0.877 -16.432 2.269 369 HE ARG 45 HE ARG 45 0.513 -17.198 -0.472 370 HH11 ARG 45 1HH1 ARG 45 0.640 -18.362 2.774 371 HH12 ARG 45 2HH1 ARG 45 -0.240 -19.813 2.427 372 HH21 ARG 45 1HH2 ARG 45 -0.560 -19.133 -0.956 373 HH22 ARG 45 2HH2 ARG 45 -0.919 -20.249 0.318 374 H TYR 46 H TYR 46 3.239 -11.491 0.216 375 HA TYR 46 HA TYR 46 5.745 -10.867 1.736 376 HB2 TYR 46 2HB TYR 46 4.334 -9.328 -0.437 377 HB3 TYR 46 1HB TYR 46 5.723 -8.742 0.449 378 HD1 TYR 46 1HD TYR 46 4.644 -11.770 -1.492 379 HD2 TYR 46 2HD TYR 46 7.843 -9.123 -0.400 380 HE1 TYR 46 1HE TYR 46 6.179 -13.003 -3.002 381 HE2 TYR 46 2HE TYR 46 9.378 -10.351 -1.905 382 HH TYR 46 HH TYR 46 8.299 -13.256 -3.657 383 H GLU 47 H GLU 47 5.615 -9.162 3.187 384 HA GLU 47 HA GLU 47 2.874 -8.509 4.194 385 HB2 GLU 47 2HB GLU 47 5.633 -8.721 5.402 386 HB3 GLU 47 1HB GLU 47 4.349 -7.856 6.246 387 HG2 GLU 47 2HG GLU 47 3.653 -9.847 7.041 388 HG3 GLU 47 1HG GLU 47 3.167 -10.253 5.395 389 H VAL 48 H VAL 48 2.475 -6.713 2.782 390 HA VAL 48 HA VAL 48 4.447 -4.587 2.462 391 HB VAL 48 HB VAL 48 1.596 -5.099 1.639 392 HG11 VAL 48 1HG1 VAL 48 2.987 -2.524 1.829 393 HG12 VAL 48 2HG1 VAL 48 1.282 -2.858 1.526 394 HG13 VAL 48 3HG1 VAL 48 2.437 -2.886 0.193 395 HG21 VAL 48 3HG2 VAL 48 2.834 -4.789 -0.632 396 HG22 VAL 48 1HG2 VAL 48 3.125 -6.272 0.277 397 HG23 VAL 48 2HG2 VAL 48 4.307 -4.965 0.324 398 H ASN 49 H ASN 49 4.734 -2.915 3.812 399 HA ASN 49 HA ASN 49 2.474 -1.971 5.518 400 HB2 ASN 49 2HB ASN 49 5.367 -1.933 6.390 401 HB3 ASN 49 1HB ASN 49 3.918 -1.903 7.394 402 HD21 ASN 49 1HD2 ASN 49 5.992 -4.039 5.434 403 HD22 ASN 49 2HD2 ASN 49 5.402 -5.489 6.091 404 H ILE 50 H ILE 50 2.078 -0.153 4.262 405 HA ILE 50 HA ILE 50 4.375 1.739 3.873 406 HB ILE 50 HB ILE 50 3.929 0.696 1.785 407 HG12 ILE 50 2HG1 ILE 50 3.886 3.302 1.915 408 HG13 ILE 50 1HG1 ILE 50 3.366 2.529 0.423 409 HG21 ILE 50 1HG2 ILE 50 1.154 0.728 2.791 410 HG22 ILE 50 2HG2 ILE 50 1.972 -0.458 1.775 411 HG23 ILE 50 3HG2 ILE 50 1.318 1.015 1.059 412 HD11 ILE 50 3HD1 ILE 50 1.271 3.356 0.636 413 HD12 ILE 50 1HD1 ILE 50 1.891 4.359 1.946 414 HD13 ILE 50 2HD1 ILE 50 1.153 2.800 2.302 415 H VAL 51 H VAL 51 3.916 3.928 4.120 416 HA VAL 51 HA VAL 51 1.207 4.622 5.208 417 HB VAL 51 HB VAL 51 3.180 4.797 6.732 418 HG11 VAL 51 1HG1 VAL 51 5.019 5.256 5.356 419 HG12 VAL 51 2HG1 VAL 51 4.720 6.819 6.116 420 HG13 VAL 51 3HG1 VAL 51 4.164 6.518 4.470 421 HG21 VAL 51 3HG2 VAL 51 1.186 6.679 6.292 422 HG22 VAL 51 1HG2 VAL 51 2.658 7.649 6.326 423 HG23 VAL 51 2HG2 VAL 51 2.248 6.620 7.698 424 H LEU 52 H LEU 52 0.258 6.654 4.380 425 HA LEU 52 HA LEU 52 1.552 7.526 1.799 426 HB2 LEU 52 2HB LEU 52 -1.328 7.310 2.671 427 HB3 LEU 52 1HB LEU 52 -0.821 7.974 1.123 428 HG LEU 52 HG LEU 52 0.557 5.608 1.175 429 HD11 LEU 52 1HD1 LEU 52 -2.159 4.731 2.033 430 HD12 LEU 52 2HD1 LEU 52 -1.049 5.250 3.302 431 HD13 LEU 52 3HD1 LEU 52 -0.603 3.925 2.228 432 HD21 LEU 52 3HD2 LEU 52 -0.790 5.059 -0.639 433 HD22 LEU 52 1HD2 LEU 52 -1.131 6.784 -0.504 434 HD23 LEU 52 2HD2 LEU 52 -2.265 5.606 0.158 435 H ASN 53 H ASN 53 -0.184 9.663 1.333 436 HA ASN 53 HA ASN 53 1.014 11.930 2.232 437 HB2 ASN 53 2HB ASN 53 -1.945 11.354 1.905 438 HB3 ASN 53 1HB ASN 53 -1.272 12.983 1.990 439 HD21 ASN 53 1HD2 ASN 53 -1.497 10.084 -0.026 440 HD22 ASN 53 2HD2 ASN 53 -0.834 10.786 -1.422 441 HA PRO 54 HA PRO 54 0.520 12.500 6.524 442 HB2 PRO 54 2HB PRO 54 -0.223 15.140 6.700 443 HB3 PRO 54 1HB PRO 54 1.430 14.609 6.329 444 HG2 PRO 54 2HG PRO 54 -0.733 15.492 4.464 445 HG3 PRO 54 1HG PRO 54 0.991 15.912 4.467 446 HD2 PRO 54 2HD PRO 54 0.008 14.072 2.785 447 HD3 PRO 54 1HD PRO 54 1.622 13.894 3.513 448 H ASN 55 H ASN 55 -2.163 13.011 4.410 449 HA ASN 55 HA ASN 55 -4.021 12.310 6.614 450 HB2 ASN 55 2HB ASN 55 -3.921 14.724 6.709 451 HB3 ASN 55 1HB ASN 55 -4.075 14.849 4.958 452 HD21 ASN 55 1HD2 ASN 55 -5.877 15.738 7.361 453 HD22 ASN 55 2HD2 ASN 55 -7.416 15.178 6.914 454 H LEU 56 H LEU 56 -4.352 10.311 5.352 455 HA LEU 56 HA LEU 56 -5.132 10.477 2.549 456 HB2 LEU 56 2HB LEU 56 -4.969 8.424 4.716 457 HB3 LEU 56 1HB LEU 56 -5.845 8.029 3.240 458 HG LEU 56 HG LEU 56 -2.950 8.845 3.507 459 HD11 LEU 56 1HD1 LEU 56 -2.755 6.608 3.602 460 HD12 LEU 56 2HD1 LEU 56 -3.280 6.573 1.919 461 HD13 LEU 56 3HD1 LEU 56 -4.459 6.382 3.216 462 HD21 LEU 56 3HD2 LEU 56 -4.831 9.004 1.210 463 HD22 LEU 56 1HD2 LEU 56 -3.274 8.246 0.872 464 HD23 LEU 56 2HD2 LEU 56 -3.335 9.893 1.501 465 H ASP 57 H ASP 57 -7.234 8.982 2.128 466 HA ASP 57 HA ASP 57 -9.535 9.559 3.829 467 HB2 ASP 57 2HB ASP 57 -8.755 11.220 1.506 468 HB3 ASP 57 1HB ASP 57 -10.447 10.763 1.575 469 H GLN 58 H GLN 58 -11.584 8.943 2.408 470 HA GLN 58 HA GLN 58 -11.262 6.247 1.534 471 HB2 GLN 58 2HB GLN 58 -13.503 8.246 1.121 472 HB3 GLN 58 1HB GLN 58 -13.656 6.496 0.952 473 HG2 GLN 58 2HG GLN 58 -12.969 6.222 3.320 474 HG3 GLN 58 1HG GLN 58 -12.881 7.977 3.483 475 HE21 GLN 58 1HE2 GLN 58 -15.194 5.343 2.682 476 HE22 GLN 58 2HE2 GLN 58 -16.569 6.182 3.218 477 H SER 59 H SER 59 -11.736 9.279 -0.285 478 HA SER 59 HA SER 59 -11.890 8.100 -2.869 479 HB2 SER 59 2HB SER 59 -11.716 10.365 -3.605 480 HB3 SER 59 1HB SER 59 -12.504 10.447 -2.030 481 HG SER 59 HG SER 59 -10.272 10.702 -1.205 482 H GLN 60 H GLN 60 -9.165 9.130 -0.877 483 HA GLN 60 HA GLN 60 -7.116 9.077 -2.865 484 HB2 GLN 60 2HB GLN 60 -7.304 8.746 0.121 485 HB3 GLN 60 1HB GLN 60 -5.750 8.543 -0.686 486 HG2 GLN 60 2HG GLN 60 -7.426 10.960 -1.298 487 HG3 GLN 60 1HG GLN 60 -6.458 10.925 0.175 488 HE21 GLN 60 1HE2 GLN 60 -4.729 12.310 -0.399 489 HE22 GLN 60 2HE2 GLN 60 -3.713 12.046 -1.733 490 H LEU 61 H LEU 61 -8.481 6.503 -0.814 491 HA LEU 61 HA LEU 61 -6.608 4.449 -1.445 492 HB2 LEU 61 2HB LEU 61 -9.561 4.410 -0.783 493 HB3 LEU 61 1HB LEU 61 -8.562 2.957 -0.880 494 HG LEU 61 HG LEU 61 -7.462 5.157 0.777 495 HD11 LEU 61 1HD1 LEU 61 -10.130 3.965 1.253 496 HD12 LEU 61 2HD1 LEU 61 -9.446 5.474 1.858 497 HD13 LEU 61 3HD1 LEU 61 -9.038 3.946 2.639 498 HD21 LEU 61 3HD2 LEU 61 -6.171 3.312 1.114 499 HD22 LEU 61 1HD2 LEU 61 -7.442 2.212 0.580 500 HD23 LEU 61 2HD2 LEU 61 -7.448 2.830 2.231 501 H ALA 62 H ALA 62 -9.421 5.668 -3.210 502 HA ALA 62 HA ALA 62 -9.838 3.611 -5.052 503 HB1 ALA 62 1HB ALA 62 -10.788 5.359 -6.432 504 HB2 ALA 62 2HB ALA 62 -9.767 6.579 -5.671 505 HB3 ALA 62 3HB ALA 62 -11.070 5.821 -4.753 506 H LEU 63 H LEU 63 -7.313 6.067 -4.898 507 HA LEU 63 HA LEU 63 -6.127 5.466 -7.443 508 HB2 LEU 63 2HB LEU 63 -5.355 6.858 -4.882 509 HB3 LEU 63 1HB LEU 63 -4.170 6.644 -6.165 510 HG LEU 63 HG LEU 63 -6.837 8.054 -6.409 511 HD11 LEU 63 1HD1 LEU 63 -4.004 8.909 -6.017 512 HD12 LEU 63 2HD1 LEU 63 -5.494 9.663 -5.450 513 HD13 LEU 63 3HD1 LEU 63 -4.985 9.869 -7.126 514 HD21 LEU 63 3HD2 LEU 63 -5.346 8.620 -8.665 515 HD22 LEU 63 1HD2 LEU 63 -6.649 7.433 -8.591 516 HD23 LEU 63 2HD2 LEU 63 -4.974 6.919 -8.386 517 H GLU 64 H GLU 64 -5.267 4.652 -4.070 518 HA GLU 64 HA GLU 64 -3.123 2.893 -4.730 519 HB2 GLU 64 2HB GLU 64 -4.855 3.568 -2.426 520 HB3 GLU 64 1HB GLU 64 -4.142 1.958 -2.360 521 HG2 GLU 64 2HG GLU 64 -2.070 3.654 -3.227 522 HG3 GLU 64 1HG GLU 64 -2.878 4.528 -1.925 523 H LYS 65 H LYS 65 -6.603 2.298 -4.239 524 HA LYS 65 HA LYS 65 -6.360 -0.568 -4.602 525 HB2 LYS 65 2HB LYS 65 -8.372 1.459 -4.064 526 HB3 LYS 65 1HB LYS 65 -8.977 0.268 -5.215 527 HG2 LYS 65 2HG LYS 65 -9.471 -0.517 -2.970 528 HG3 LYS 65 1HG LYS 65 -8.210 -1.542 -3.657 529 HD2 LYS 65 2HD LYS 65 -6.613 0.260 -2.529 530 HD3 LYS 65 1HD LYS 65 -8.014 0.503 -1.485 531 HE2 LYS 65 2HE LYS 65 -6.624 -2.152 -2.002 532 HE3 LYS 65 1HE LYS 65 -6.571 -1.217 -0.493 533 HZ1 LYS 65 3HZ LYS 65 -8.309 -2.801 -0.263 534 HZ2 LYS 65 1HZ LYS 65 -8.955 -2.425 -1.785 535 HZ3 LYS 65 2HZ LYS 65 -9.054 -1.296 -0.520 536 H GLU 66 H GLU 66 -7.421 2.088 -6.776 537 HA GLU 66 HA GLU 66 -7.886 0.355 -9.009 538 HB2 GLU 66 2HB GLU 66 -7.310 3.315 -8.726 539 HB3 GLU 66 1HB GLU 66 -7.799 2.564 -10.244 540 HG2 GLU 66 2HG GLU 66 -9.895 1.817 -9.261 541 HG3 GLU 66 1HG GLU 66 -9.401 2.408 -7.674 542 H ILE 67 H ILE 67 -5.075 2.222 -7.877 543 HA ILE 67 HA ILE 67 -3.479 1.615 -10.225 544 HB ILE 67 HB ILE 67 -2.858 2.701 -7.464 545 HG12 ILE 67 2HG1 ILE 67 -4.394 4.171 -8.594 546 HG13 ILE 67 1HG1 ILE 67 -2.804 4.881 -8.821 547 HG21 ILE 67 1HG2 ILE 67 -0.950 3.728 -9.059 548 HG22 ILE 67 2HG2 ILE 67 -1.196 2.180 -9.868 549 HG23 ILE 67 3HG2 ILE 67 -0.735 2.223 -8.167 550 HD11 ILE 67 3HD1 ILE 67 -3.507 4.924 -11.004 551 HD12 ILE 67 1HD1 ILE 67 -4.615 3.572 -10.772 552 HD13 ILE 67 2HD1 ILE 67 -2.889 3.272 -10.980 553 H ILE 68 H ILE 68 -3.496 0.374 -6.837 554 HA ILE 68 HA ILE 68 -1.286 -1.430 -7.327 555 HB ILE 68 HB ILE 68 -3.496 -1.315 -5.252 556 HG12 ILE 68 2HG1 ILE 68 -0.568 -0.709 -4.864 557 HG13 ILE 68 1HG1 ILE 68 -1.650 0.517 -5.528 558 HG21 ILE 68 1HG2 ILE 68 -1.651 -2.734 -3.993 559 HG22 ILE 68 2HG2 ILE 68 -1.202 -3.204 -5.632 560 HG23 ILE 68 3HG2 ILE 68 -2.829 -3.529 -5.037 561 HD11 ILE 68 3HD1 ILE 68 -1.553 -0.641 -2.785 562 HD12 ILE 68 1HD1 ILE 68 -3.147 -0.261 -3.435 563 HD13 ILE 68 2HD1 ILE 68 -1.926 1.004 -3.298 564 H GLN 69 H GLN 69 -4.823 -1.837 -7.353 565 HA GLN 69 HA GLN 69 -4.820 -4.655 -7.831 566 HB2 GLN 69 2HB GLN 69 -7.137 -4.311 -8.227 567 HB3 GLN 69 1HB GLN 69 -6.690 -3.014 -7.121 568 HG2 GLN 69 2HG GLN 69 -6.375 -1.503 -9.089 569 HG3 GLN 69 1HG GLN 69 -6.964 -2.797 -10.132 570 HE21 GLN 69 1HE2 GLN 69 -8.971 -1.835 -10.752 571 HE22 GLN 69 2HE2 GLN 69 -10.207 -1.481 -9.643 572 H ARG 70 H ARG 70 -4.807 -1.861 -10.056 573 HA ARG 70 HA ARG 70 -5.167 -3.225 -12.482 574 HB2 ARG 70 2HB ARG 70 -5.310 -0.933 -12.662 575 HB3 ARG 70 1HB ARG 70 -4.015 -0.663 -11.497 576 HG2 ARG 70 2HG ARG 70 -2.329 -1.061 -13.105 577 HG3 ARG 70 1HG ARG 70 -3.456 -1.827 -14.222 578 HD2 ARG 70 2HD ARG 70 -4.642 0.419 -14.406 579 HD3 ARG 70 1HD ARG 70 -3.269 1.119 -13.525 580 HE ARG 70 HE ARG 70 -2.397 -0.562 -15.727 581 HH11 ARG 70 1HH2 ARG 70 -2.398 2.526 -14.431 582 HH12 ARG 70 2HH2 ARG 70 -2.193 3.352 -15.939 583 HH21 ARG 70 1HH1 ARG 70 -2.640 0.505 -17.866 584 HH22 ARG 70 2HH1 ARG 70 -2.330 2.210 -17.883 585 H ALA 71 H ALA 71 -2.091 -2.447 -10.784 586 HA ALA 71 HA ALA 71 -0.429 -3.646 -12.785 587 HB1 ALA 71 1HB ALA 71 1.105 -3.647 -10.583 588 HB2 ALA 71 2HB ALA 71 -0.204 -2.620 -9.998 589 HB3 ALA 71 3HB ALA 71 0.705 -2.156 -11.436 590 H LEU 72 H LEU 72 -1.521 -4.819 -9.594 591 HA LEU 72 HA LEU 72 -0.278 -7.370 -9.725 592 HB2 LEU 72 2HB LEU 72 -2.778 -6.381 -8.329 593 HB3 LEU 72 1HB LEU 72 -1.913 -7.859 -7.914 594 HG LEU 72 HG LEU 72 -0.776 -5.050 -7.826 595 HD11 LEU 72 1HD1 LEU 72 -0.607 -5.667 -5.346 596 HD12 LEU 72 2HD1 LEU 72 -1.698 -7.003 -5.713 597 HD13 LEU 72 3HD1 LEU 72 -2.228 -5.340 -5.959 598 HD21 LEU 72 3HD2 LEU 72 0.416 -7.791 -7.470 599 HD22 LEU 72 1HD2 LEU 72 1.076 -6.427 -6.566 600 HD23 LEU 72 2HD2 LEU 72 1.073 -6.399 -8.329 601 H GLU 73 H GLU 73 -3.427 -6.224 -10.821 602 HA GLU 73 HA GLU 73 -4.534 -8.781 -11.468 603 HB2 GLU 73 2HB GLU 73 -5.089 -5.894 -12.050 604 HB3 GLU 73 1HB GLU 73 -5.961 -7.111 -12.962 605 HG2 GLU 73 2HG GLU 73 -7.046 -6.278 -10.773 606 HG3 GLU 73 1HG GLU 73 -6.973 -8.021 -11.029 607 H ASN 74 H ASN 74 -2.907 -6.253 -13.373 608 HA ASN 74 HA ASN 74 -3.037 -7.616 -15.873 609 HB2 ASN 74 2HB ASN 74 -1.313 -5.466 -14.643 610 HB3 ASN 74 1HB ASN 74 -1.038 -6.016 -16.296 611 HD21 ASN 74 1HD2 ASN 74 -2.319 -3.445 -14.952 612 HD22 ASN 74 2HD2 ASN 74 -3.719 -3.209 -15.883 613 H TYR 75 H TYR 75 -0.722 -7.613 -13.177 614 HA TYR 75 HA TYR 75 1.230 -9.280 -14.544 615 HB2 TYR 75 2HB TYR 75 1.074 -7.619 -12.349 616 HB3 TYR 75 1HB TYR 75 1.189 -9.211 -11.619 617 HD1 TYR 75 1HD TYR 75 3.143 -10.711 -12.200 618 HD2 TYR 75 2HD TYR 75 2.881 -6.638 -13.532 619 HE1 TYR 75 1HE TYR 75 5.554 -10.743 -12.778 620 HE2 TYR 75 2HE TYR 75 5.297 -6.666 -14.097 621 HH TYR 75 HH TYR 75 7.098 -9.522 -14.298 622 H GLY 76 H GLY 76 -1.378 -9.853 -12.186 623 HA2 GLY 76 2HA GLY 76 -2.630 -11.981 -12.402 624 HA3 GLY 76 1HA GLY 76 -1.078 -12.747 -12.705 625 H ALA 77 H ALA 77 -1.447 -10.268 -10.262 626 HA ALA 77 HA ALA 77 -0.894 -12.348 -8.175 627 HB1 ALA 77 1HB ALA 77 -0.463 -9.553 -7.450 628 HB2 ALA 77 2HB ALA 77 0.407 -9.986 -8.922 629 HB3 ALA 77 3HB ALA 77 0.681 -10.895 -7.436 630 H ARG 78 H ARG 78 -2.450 -12.650 -6.621 631 HA ARG 78 HA ARG 78 -4.606 -10.572 -6.378 632 HB2 ARG 78 2HB ARG 78 -4.752 -13.215 -7.205 633 HB3 ARG 78 1HB ARG 78 -5.214 -13.310 -5.505 634 HG2 ARG 78 2HG ARG 78 -6.942 -11.632 -5.826 635 HG3 ARG 78 1HG ARG 78 -6.422 -11.363 -7.489 636 HD2 ARG 78 2HD ARG 78 -6.865 -14.148 -7.277 637 HD3 ARG 78 1HD ARG 78 -8.248 -13.365 -6.486 638 HE ARG 78 HE ARG 78 -7.710 -11.892 -8.838 639 HH11 ARG 78 1HH2 ARG 78 -10.385 -13.064 -8.260 640 HH12 ARG 78 2HH2 ARG 78 -10.562 -14.235 -9.523 641 HH21 ARG 78 1HH1 ARG 78 -7.187 -14.267 -10.325 642 HH22 ARG 78 2HH1 ARG 78 -8.749 -14.916 -10.694 643 H VAL 79 H VAL 79 -4.956 -9.784 -4.313 644 HA VAL 79 HA VAL 79 -3.124 -10.566 -2.175 645 HB VAL 79 HB VAL 79 -5.543 -8.803 -1.858 646 HG11 VAL 79 1HG1 VAL 79 -2.677 -8.431 -0.959 647 HG12 VAL 79 2HG1 VAL 79 -3.880 -9.295 -0.002 648 HG13 VAL 79 3HG1 VAL 79 -4.108 -7.585 -0.369 649 HG21 VAL 79 3HG2 VAL 79 -3.204 -8.387 -3.673 650 HG22 VAL 79 1HG2 VAL 79 -3.773 -7.002 -2.741 651 HG23 VAL 79 2HG2 VAL 79 -4.869 -7.832 -3.848 652 H GLU 80 H GLU 80 -3.546 -12.235 -0.795 653 HA GLU 80 HA GLU 80 -6.204 -13.478 -0.711 654 HB2 GLU 80 2HB GLU 80 -5.043 -15.209 0.397 655 HB3 GLU 80 1HB GLU 80 -3.789 -14.505 -0.623 656 HG2 GLU 80 2HG GLU 80 -3.067 -13.092 1.302 657 HG3 GLU 80 1HG GLU 80 -4.254 -13.914 2.315 658 H LYS 81 H LYS 81 -4.630 -10.941 0.926 659 HA LYS 81 HA LYS 81 -6.528 -11.143 3.232 660 HB2 LYS 81 2HB LYS 81 -4.715 -10.267 4.560 661 HB3 LYS 81 1HB LYS 81 -4.067 -11.591 3.593 662 HG2 LYS 81 2HG LYS 81 -2.495 -10.122 2.910 663 HG3 LYS 81 1HG LYS 81 -3.769 -9.415 1.917 664 HD2 LYS 81 2HD LYS 81 -2.731 -7.656 3.239 665 HD3 LYS 81 1HD LYS 81 -4.368 -7.926 3.838 666 HE2 LYS 81 2HE LYS 81 -3.204 -7.952 5.854 667 HE3 LYS 81 1HE LYS 81 -3.077 -9.671 5.425 668 HZ1 LYS 81 3HZ LYS 81 -1.057 -8.882 4.058 669 HZ2 LYS 81 1HZ LYS 81 -0.876 -9.080 5.732 670 HZ3 LYS 81 2HZ LYS 81 -1.083 -7.525 5.079 671 H VAL 82 H VAL 82 -7.582 -9.208 3.808 672 HA VAL 82 HA VAL 82 -6.857 -6.710 2.338 673 HB VAL 82 HB VAL 82 -9.491 -8.197 2.380 674 HG11 VAL 82 1HG1 VAL 82 -8.949 -5.278 1.793 675 HG12 VAL 82 2HG1 VAL 82 -10.123 -5.952 2.922 676 HG13 VAL 82 3HG1 VAL 82 -10.375 -6.120 1.185 677 HG21 VAL 82 3HG2 VAL 82 -9.310 -7.803 -0.080 678 HG22 VAL 82 1HG2 VAL 82 -7.955 -8.737 0.554 679 HG23 VAL 82 2HG2 VAL 82 -7.750 -7.024 0.188 680 H GLU 83 H GLU 83 -6.361 -5.419 4.121 681 HA GLU 83 HA GLU 83 -8.410 -5.299 6.314 682 HB2 GLU 83 2HB GLU 83 -5.613 -5.988 6.332 683 HB3 GLU 83 1HB GLU 83 -5.853 -4.514 7.270 684 HG2 GLU 83 2HG GLU 83 -7.998 -6.187 7.977 685 HG3 GLU 83 1HG GLU 83 -6.582 -7.239 7.942 686 H GLU 84 H GLU 84 -9.419 -3.331 5.952 687 HA GLU 84 HA GLU 84 -7.815 -1.022 5.076 688 HB2 GLU 84 2HB GLU 84 -10.792 -1.496 5.366 689 HB3 GLU 84 1HB GLU 84 -10.071 -0.039 4.683 690 HG2 GLU 84 2HG GLU 84 -9.214 -2.663 3.548 691 HG3 GLU 84 1HG GLU 84 -10.826 -2.078 3.131 692 H LEU 85 H LEU 85 -6.836 -0.095 6.899 693 HA LEU 85 HA LEU 85 -8.142 -0.017 9.501 694 HB2 LEU 85 2HB LEU 85 -5.666 1.103 8.207 695 HB3 LEU 85 1HB LEU 85 -6.139 1.662 9.813 696 HG LEU 85 HG LEU 85 -6.419 -1.024 10.129 697 HD11 LEU 85 1HD1 LEU 85 -5.359 -1.056 7.690 698 HD12 LEU 85 2HD1 LEU 85 -4.903 -2.262 8.893 699 HD13 LEU 85 3HD1 LEU 85 -3.855 -0.874 8.593 700 HD21 LEU 85 3HD2 LEU 85 -5.201 0.326 11.690 701 HD22 LEU 85 1HD2 LEU 85 -3.985 0.741 10.483 702 HD23 LEU 85 2HD2 LEU 85 -4.068 -0.901 11.121 703 H GLY 86 H GLY 86 -8.056 2.080 6.694 704 HA2 GLY 86 2HA GLY 86 -9.215 4.069 6.245 705 HA3 GLY 86 1HA GLY 86 -10.218 3.700 7.649 706 H LEU 87 H LEU 87 -9.578 6.321 7.231 707 HA LEU 87 HA LEU 87 -7.282 7.504 8.167 708 HB2 LEU 87 2HB LEU 87 -9.525 8.493 7.447 709 HB3 LEU 87 1HB LEU 87 -10.054 8.258 9.114 710 HG LEU 87 HG LEU 87 -7.463 9.677 8.592 711 HD11 LEU 87 1HD1 LEU 87 -9.732 10.534 7.322 712 HD12 LEU 87 2HD1 LEU 87 -8.431 11.602 7.853 713 HD13 LEU 87 3HD1 LEU 87 -9.860 11.383 8.864 714 HD21 LEU 87 3HD2 LEU 87 -9.125 10.826 10.613 715 HD22 LEU 87 1HD2 LEU 87 -7.620 9.931 10.827 716 HD23 LEU 87 2HD2 LEU 87 -9.161 9.075 10.821 717 H ARG 88 H ARG 88 -6.067 6.780 9.905 718 HA ARG 88 HA ARG 88 -7.385 5.747 12.304 719 HB2 ARG 88 2HB ARG 88 -4.546 6.037 11.332 720 HB3 ARG 88 1HB ARG 88 -4.919 5.438 12.948 721 HG2 ARG 88 2HG ARG 88 -6.184 4.231 10.485 722 HG3 ARG 88 1HG ARG 88 -4.625 3.672 11.094 723 HD2 ARG 88 2HD ARG 88 -6.895 3.912 13.041 724 HD3 ARG 88 1HD ARG 88 -6.862 2.521 11.940 725 HE ARG 88 HE ARG 88 -4.304 2.506 12.798 726 HH11 ARG 88 1HH2 ARG 88 -6.409 4.016 14.883 727 HH12 ARG 88 2HH2 ARG 88 -6.199 2.911 16.200 728 HH21 ARG 88 1HH1 ARG 88 -4.385 0.619 14.335 729 HH22 ARG 88 2HH1 ARG 88 -5.053 0.988 15.889 730 H ARG 89 H ARG 89 -6.209 6.574 14.456 731 HA ARG 89 HA ARG 89 -6.026 9.567 14.335 732 HB2 ARG 89 2HB ARG 89 -7.810 7.734 15.779 733 HB3 ARG 89 1HB ARG 89 -7.045 8.925 16.831 734 HG2 ARG 89 2HG ARG 89 -7.826 10.287 14.464 735 HG3 ARG 89 1HG ARG 89 -9.202 9.308 14.976 736 HD2 ARG 89 2HD ARG 89 -7.928 10.601 17.262 737 HD3 ARG 89 1HD ARG 89 -8.472 11.786 16.055 738 HE ARG 89 HE ARG 89 -10.719 11.034 16.373 739 HH11 ARG 89 1HH2 ARG 89 -9.441 8.116 16.640 740 HH12 ARG 89 2HH2 ARG 89 -10.145 7.666 18.157 741 HH21 ARG 89 1HH1 ARG 89 -11.195 10.881 18.926 742 HH22 ARG 89 2HH1 ARG 89 -11.139 9.230 19.450 743 H LEU 90 H LEU 90 -4.076 10.251 15.129 744 HA LEU 90 HA LEU 90 -2.892 8.995 17.507 745 HB2 LEU 90 2HB LEU 90 -2.389 7.751 15.180 746 HB3 LEU 90 1HB LEU 90 -1.137 8.991 15.093 747 HG LEU 90 HG LEU 90 -1.112 7.980 17.746 748 HD11 LEU 90 1HD1 LEU 90 -2.281 6.039 16.293 749 HD12 LEU 90 2HD1 LEU 90 -1.158 5.687 17.606 750 HD13 LEU 90 3HD1 LEU 90 -0.592 5.674 15.935 751 HD21 LEU 90 3HD2 LEU 90 0.666 8.011 15.342 752 HD22 LEU 90 1HD2 LEU 90 1.117 6.960 16.684 753 HD23 LEU 90 2HD2 LEU 90 0.936 8.694 16.945 754 H ALA 91 H ALA 91 -1.516 10.448 18.539 755 HA ALA 91 HA ALA 91 -1.344 13.170 17.416 756 HB1 ALA 91 1HB ALA 91 -0.248 13.504 19.729 757 HB2 ALA 91 2HB ALA 91 -0.655 11.814 20.029 758 HB3 ALA 91 3HB ALA 91 -1.933 12.987 19.716 759 H TYR 92 H TYR 92 1.245 11.830 19.360 760 HA TYR 92 HA TYR 92 3.129 12.302 17.076 761 HB2 TYR 92 2HB TYR 92 3.246 12.664 20.063 762 HB3 TYR 92 1HB TYR 92 4.738 12.501 19.137 763 HD1 TYR 92 2HD TYR 92 5.002 14.032 17.052 764 HD2 TYR 92 1HD TYR 92 2.174 14.752 20.204 765 HE1 TYR 92 2HE TYR 92 4.833 16.407 16.359 766 HE2 TYR 92 1HE TYR 92 2.006 17.126 19.510 767 HH TYR 92 HH TYR 92 2.806 18.709 18.169 768 HA PRO 93 HA PRO 93 4.264 8.069 17.237 769 HB2 PRO 93 2HB PRO 93 6.885 8.222 16.459 770 HB3 PRO 93 1HB PRO 93 5.525 8.456 15.341 771 HG2 PRO 93 2HG PRO 93 7.252 10.483 16.672 772 HG3 PRO 93 1HG PRO 93 6.589 10.467 15.030 773 HD2 PRO 93 2HD PRO 93 5.540 11.952 17.064 774 HD3 PRO 93 1HD PRO 93 4.583 11.351 15.691 775 H ILE 94 H ILE 94 7.517 9.105 17.988 776 HA ILE 94 HA ILE 94 7.243 7.842 20.688 777 HB ILE 94 HB ILE 94 8.797 6.923 18.909 778 HG12 ILE 94 2HG1 ILE 94 10.571 7.865 21.105 779 HG13 ILE 94 1HG1 ILE 94 9.105 7.011 21.592 780 HG21 ILE 94 1HG2 ILE 94 9.416 9.526 18.441 781 HG22 ILE 94 2HG2 ILE 94 10.475 8.184 18.005 782 HG23 ILE 94 3HG2 ILE 94 10.750 9.074 19.503 783 HD11 ILE 94 3HD1 ILE 94 10.320 5.638 19.369 784 HD12 ILE 94 1HD1 ILE 94 10.009 5.039 20.998 785 HD13 ILE 94 2HD1 ILE 94 11.520 5.877 20.639 786 H ALA 95 H ALA 95 7.218 9.264 22.379 787 HA ALA 95 HA ALA 95 7.489 12.034 22.311 788 HB1 ALA 95 1HB ALA 95 8.295 11.587 24.780 789 HB2 ALA 95 2HB ALA 95 7.992 9.898 24.369 790 HB3 ALA 95 3HB ALA 95 6.679 11.074 24.291 791 H LYS 96 H LYS 96 10.078 10.147 23.868 792 HA LYS 96 HA LYS 96 12.093 11.759 22.340 793 HB2 LYS 96 2HB LYS 96 11.446 11.638 25.197 794 HB3 LYS 96 1HB LYS 96 13.156 11.341 24.873 795 HG2 LYS 96 2HG LYS 96 13.402 13.424 23.731 796 HG3 LYS 96 1HG LYS 96 11.656 13.667 23.653 797 HD2 LYS 96 2HD LYS 96 12.509 15.068 25.428 798 HD3 LYS 96 1HD LYS 96 11.635 13.730 26.174 799 HE2 LYS 96 2HE LYS 96 13.592 12.684 26.914 800 HE3 LYS 96 1HE LYS 96 14.593 13.463 25.673 801 HZ1 LYS 96 3HZ LYS 96 14.730 14.429 28.001 802 HZ2 LYS 96 1HZ LYS 96 13.161 15.019 27.744 803 HZ3 LYS 96 2HZ LYS 96 14.433 15.528 26.739 Start of MODEL 15 1 H1 MET 1 1HT MET 1 2.109 8.963 8.593 2 H2 MET 1 2HT MET 1 2.765 10.254 9.484 3 H3 MET 1 3HT MET 1 1.154 10.317 8.949 4 HA MET 1 HA MET 1 0.747 8.264 10.364 5 HB2 MET 1 2HB MET 1 3.243 7.863 10.426 6 HB3 MET 1 1HB MET 1 3.377 9.246 11.510 7 HG2 MET 1 2HG MET 1 1.821 8.138 13.093 8 HG3 MET 1 1HG MET 1 1.748 6.739 12.021 9 HE1 MET 1 2HE MET 1 4.484 9.208 13.371 10 HE2 MET 1 3HE MET 1 5.226 8.200 14.611 11 HE3 MET 1 1HE MET 1 3.516 8.637 14.727 12 H ASP 2 H ASP 2 2.451 11.259 11.370 13 HA ASP 2 HA ASP 2 0.612 11.753 13.570 14 HB2 ASP 2 2HB ASP 2 3.115 12.431 13.129 15 HB3 ASP 2 1HB ASP 2 2.396 13.812 12.302 16 HA PRO 3 HA PRO 3 -1.150 14.991 10.574 17 HB2 PRO 3 2HB PRO 3 -0.404 14.905 7.948 18 HB3 PRO 3 1HB PRO 3 0.509 15.801 9.178 19 HG2 PRO 3 2HG PRO 3 1.145 13.250 7.853 20 HG3 PRO 3 1HG PRO 3 2.223 14.456 8.566 21 HD2 PRO 3 2HD PRO 3 1.429 12.001 9.711 22 HD3 PRO 3 1HD PRO 3 2.319 13.317 10.510 23 H GLN 4 H GLN 4 -1.172 11.760 10.408 24 HA GLN 4 HA GLN 4 -3.842 11.511 9.373 25 HB2 GLN 4 2HB GLN 4 -3.193 10.341 7.248 26 HB3 GLN 4 1HB GLN 4 -2.695 12.028 7.269 27 HG2 GLN 4 2HG GLN 4 -0.546 11.422 7.001 28 HG3 GLN 4 1HG GLN 4 -0.626 10.468 8.480 29 HE21 GLN 4 1HE2 GLN 4 0.731 9.792 5.868 30 HE22 GLN 4 2HE2 GLN 4 0.056 8.309 5.389 31 H GLY 5 H GLY 5 -2.758 8.792 8.146 32 HA2 GLY 5 2HA GLY 5 -1.435 7.287 10.083 33 HA3 GLY 5 1HA GLY 5 -3.125 7.275 10.582 34 H TYR 6 H TYR 6 -0.957 6.458 7.877 35 HA TYR 6 HA TYR 6 -2.894 5.149 6.239 36 HB2 TYR 6 2HB TYR 6 -0.956 4.388 5.101 37 HB3 TYR 6 1HB TYR 6 -0.433 5.879 5.881 38 HD1 TYR 6 1HD TYR 6 -0.224 2.203 5.949 39 HD2 TYR 6 2HD TYR 6 1.060 5.856 7.809 40 HE1 TYR 6 1HE TYR 6 1.540 0.961 7.171 41 HE2 TYR 6 2HE TYR 6 2.824 4.613 9.032 42 HH TYR 6 HH TYR 6 2.967 1.862 9.755 43 H PHE 7 H PHE 7 -3.759 3.063 6.364 44 HA PHE 7 HA PHE 7 -2.642 1.158 8.308 45 HB2 PHE 7 2HB PHE 7 -5.078 2.753 8.519 46 HB3 PHE 7 1HB PHE 7 -5.402 1.028 8.663 47 HD1 PHE 7 1HD PHE 7 -3.250 -0.157 10.051 48 HD2 PHE 7 2HD PHE 7 -4.867 3.786 10.587 49 HE1 PHE 7 1HE PHE 7 -2.379 -0.115 12.374 50 HE2 PHE 7 2HE PHE 7 -3.998 3.829 12.908 51 HZ PHE 7 HZ PHE 7 -2.755 1.878 13.802 52 H LEU 8 H LEU 8 -2.069 -0.027 6.302 53 HA LEU 8 HA LEU 8 -4.353 -1.552 5.265 54 HB2 LEU 8 2HB LEU 8 -2.546 0.287 3.734 55 HB3 LEU 8 1HB LEU 8 -3.307 -1.082 2.922 56 HG LEU 8 HG LEU 8 -5.384 0.058 4.386 57 HD11 LEU 8 1HD1 LEU 8 -4.935 2.460 3.095 58 HD12 LEU 8 2HD1 LEU 8 -3.339 2.065 3.736 59 HD13 LEU 8 3HD1 LEU 8 -4.723 2.182 4.825 60 HD21 LEU 8 3HD2 LEU 8 -4.500 -0.057 1.543 61 HD22 LEU 8 1HD2 LEU 8 -5.792 1.081 1.924 62 HD23 LEU 8 2HD2 LEU 8 -5.995 -0.635 2.278 63 H TRP 9 H TRP 9 -3.800 -3.667 5.282 64 HA TRP 9 HA TRP 9 -0.901 -4.391 5.019 65 HB2 TRP 9 2HB TRP 9 -2.645 -4.855 7.078 66 HB3 TRP 9 1HB TRP 9 -2.858 -6.323 6.125 67 HD1 TRP 9 HD TRP 9 -0.688 -7.848 5.708 68 HE1 TRP 9 1HE TRP 9 1.491 -8.095 7.062 69 HE3 TRP 9 3HE TRP 9 -0.943 -3.628 8.576 70 HZ2 TRP 9 2HZ TRP 9 2.935 -6.691 9.091 71 HZ3 TRP 9 3HZ TRP 9 0.847 -3.111 10.210 72 HH2 TRP 9 HH TRP 9 2.784 -4.636 10.470 73 H TYR 10 H TYR 10 -0.489 -5.304 3.023 74 HA TYR 10 HA TYR 10 -2.707 -6.863 1.730 75 HB2 TYR 10 2HB TYR 10 -1.076 -4.589 0.886 76 HB3 TYR 10 1HB TYR 10 -1.018 -5.917 -0.272 77 HD1 TYR 10 2HD TYR 10 -3.702 -4.572 1.989 78 HD2 TYR 10 1HD TYR 10 -2.509 -5.558 -2.018 79 HE1 TYR 10 2HE TYR 10 -5.959 -3.960 1.164 80 HE2 TYR 10 1HE TYR 10 -4.766 -4.945 -2.842 81 HH TYR 10 HH TYR 10 -6.680 -3.273 -1.880 82 H GLN 11 H GLN 11 -2.156 -8.947 1.232 83 HA GLN 11 HA GLN 11 0.722 -9.645 1.072 84 HB2 GLN 11 2HB GLN 11 -0.773 -10.384 3.089 85 HB3 GLN 11 1HB GLN 11 -1.450 -11.537 1.937 86 HG2 GLN 11 2HG GLN 11 1.058 -12.101 1.429 87 HG3 GLN 11 1HG GLN 11 1.356 -11.360 3.001 88 HE21 GLN 11 1HE2 GLN 11 1.781 -13.253 4.241 89 HE22 GLN 11 2HE2 GLN 11 0.651 -14.502 4.454 90 H VAL 12 H VAL 12 1.243 -11.244 -0.562 91 HA VAL 12 HA VAL 12 -0.967 -11.758 -2.529 92 HB VAL 12 HB VAL 12 0.516 -11.211 -4.286 93 HG11 VAL 12 1HG1 VAL 12 -0.161 -9.239 -2.962 94 HG12 VAL 12 2HG1 VAL 12 1.421 -9.017 -3.711 95 HG13 VAL 12 3HG1 VAL 12 1.305 -9.403 -1.993 96 HG21 VAL 12 3HG2 VAL 12 2.912 -11.087 -4.081 97 HG22 VAL 12 1HG2 VAL 12 2.413 -12.598 -3.328 98 HG23 VAL 12 2HG2 VAL 12 2.826 -11.209 -2.322 99 H GLU 13 H GLU 13 0.097 -13.466 -4.200 100 HA GLU 13 HA GLU 13 1.463 -15.612 -2.637 101 HB2 GLU 13 2HB GLU 13 -0.237 -17.150 -3.832 102 HB3 GLU 13 1HB GLU 13 -0.823 -16.210 -2.462 103 HG2 GLU 13 2HG GLU 13 -1.833 -14.582 -3.907 104 HG3 GLU 13 1HG GLU 13 -1.027 -15.252 -5.326 105 H MET 14 H MET 14 2.817 -14.038 -4.466 106 HA MET 14 HA MET 14 3.028 -15.839 -6.864 107 HB2 MET 14 2HB MET 14 3.707 -12.893 -6.740 108 HB3 MET 14 1HB MET 14 3.440 -13.882 -8.175 109 HG2 MET 14 2HG MET 14 1.376 -13.021 -6.134 110 HG3 MET 14 1HG MET 14 1.446 -12.574 -7.838 111 HE1 MET 14 3HE MET 14 -0.421 -14.712 -9.679 112 HE2 MET 14 1HE MET 14 1.260 -15.233 -9.830 113 HE3 MET 14 2HE MET 14 0.886 -13.535 -9.556 114 HA PRO 15 HA PRO 15 7.232 -16.446 -5.771 115 HB2 PRO 15 2HB PRO 15 8.378 -16.622 -8.245 116 HB3 PRO 15 1HB PRO 15 7.457 -17.916 -7.501 117 HG2 PRO 15 2HG PRO 15 6.635 -15.954 -9.571 118 HG3 PRO 15 1HG PRO 15 6.197 -17.662 -9.415 119 HD2 PRO 15 2HD PRO 15 4.521 -15.633 -8.721 120 HD3 PRO 15 1HD PRO 15 4.490 -17.229 -7.941 121 H GLU 16 H GLU 16 9.463 -15.793 -6.780 122 HA GLU 16 HA GLU 16 9.887 -13.012 -6.280 123 HB2 GLU 16 2HB GLU 16 11.441 -15.081 -6.160 124 HB3 GLU 16 1HB GLU 16 11.655 -14.848 -7.892 125 HG2 GLU 16 2HG GLU 16 13.149 -13.212 -7.518 126 HG3 GLU 16 1HG GLU 16 11.953 -12.310 -6.586 127 H ASP 17 H ASP 17 9.187 -14.916 -9.100 128 HA ASP 17 HA ASP 17 10.050 -13.197 -11.174 129 HB2 ASP 17 2HB ASP 17 9.163 -15.571 -11.277 130 HB3 ASP 17 1HB ASP 17 7.542 -14.894 -11.109 131 H ARG 18 H ARG 18 6.935 -13.332 -9.464 132 HA ARG 18 HA ARG 18 5.979 -10.893 -10.846 133 HB2 ARG 18 2HB ARG 18 4.575 -12.294 -8.586 134 HB3 ARG 18 1HB ARG 18 3.885 -11.541 -10.023 135 HG2 ARG 18 2HG ARG 18 5.254 -13.411 -11.286 136 HG3 ARG 18 1HG ARG 18 5.175 -14.228 -9.726 137 HD2 ARG 18 2HD ARG 18 3.036 -14.844 -10.135 138 HD3 ARG 18 1HD ARG 18 2.573 -13.149 -10.392 139 HE ARG 18 HE ARG 18 3.807 -13.608 -12.722 140 HH11 ARG 18 1HH2 ARG 18 3.370 -16.574 -11.681 141 HH12 ARG 18 2HH2 ARG 18 2.048 -17.025 -12.706 142 HH21 ARG 18 1HH1 ARG 18 1.384 -13.777 -13.724 143 HH22 ARG 18 2HH1 ARG 18 0.923 -15.440 -13.862 144 H VAL 19 H VAL 19 7.122 -11.911 -7.658 145 HA VAL 19 HA VAL 19 6.356 -9.782 -6.020 146 HB VAL 19 HB VAL 19 8.992 -11.269 -6.248 147 HG11 VAL 19 1HG1 VAL 19 7.917 -9.635 -3.929 148 HG12 VAL 19 2HG1 VAL 19 9.236 -9.134 -4.988 149 HG13 VAL 19 3HG1 VAL 19 9.426 -10.547 -3.947 150 HG21 VAL 19 3HG2 VAL 19 6.517 -12.237 -5.644 151 HG22 VAL 19 1HG2 VAL 19 7.076 -11.757 -4.041 152 HG23 VAL 19 2HG2 VAL 19 8.013 -12.908 -4.993 153 H ASN 20 H ASN 20 9.024 -9.872 -8.373 154 HA ASN 20 HA ASN 20 10.210 -7.355 -7.856 155 HB2 ASN 20 2HB ASN 20 11.267 -8.831 -9.379 156 HB3 ASN 20 1HB ASN 20 9.784 -9.075 -10.302 157 HD21 ASN 20 1HD2 ASN 20 10.145 -8.156 -12.335 158 HD22 ASN 20 2HD2 ASN 20 10.809 -6.615 -12.596 159 H ASP 21 H ASP 21 7.210 -8.215 -9.435 160 HA ASP 21 HA ASP 21 6.613 -5.879 -10.888 161 HB2 ASP 21 2HB ASP 21 5.442 -8.120 -10.787 162 HB3 ASP 21 1HB ASP 21 4.716 -7.591 -9.276 163 H LEU 22 H LEU 22 6.203 -6.629 -7.452 164 HA LEU 22 HA LEU 22 4.553 -4.459 -6.684 165 HB2 LEU 22 2HB LEU 22 6.687 -6.149 -5.423 166 HB3 LEU 22 1HB LEU 22 6.094 -4.752 -4.522 167 HG LEU 22 HG LEU 22 4.844 -6.909 -4.068 168 HD11 LEU 22 1HD1 LEU 22 3.820 -4.739 -3.595 169 HD12 LEU 22 2HD1 LEU 22 2.602 -5.827 -4.261 170 HD13 LEU 22 3HD1 LEU 22 3.322 -4.579 -5.279 171 HD21 LEU 22 3HD2 LEU 22 4.860 -7.852 -6.304 172 HD22 LEU 22 1HD2 LEU 22 4.026 -6.439 -6.951 173 HD23 LEU 22 2HD2 LEU 22 3.181 -7.536 -5.859 174 H ALA 23 H ALA 23 8.086 -4.610 -7.079 175 HA ALA 23 HA ALA 23 8.705 -1.979 -6.222 176 HB1 ALA 23 1HB ALA 23 9.980 -3.740 -8.339 177 HB2 ALA 23 2HB ALA 23 10.338 -3.789 -6.613 178 HB3 ALA 23 3HB ALA 23 10.762 -2.364 -7.561 179 H ARG 24 H ARG 24 8.091 -3.239 -9.516 180 HA ARG 24 HA ARG 24 8.160 -0.694 -10.808 181 HB2 ARG 24 2HB ARG 24 8.540 -2.525 -12.190 182 HB3 ARG 24 1HB ARG 24 7.317 -3.506 -11.387 183 HG2 ARG 24 2HG ARG 24 6.481 -2.940 -13.575 184 HG3 ARG 24 1HG ARG 24 5.566 -2.003 -12.396 185 HD2 ARG 24 2HD ARG 24 6.390 -0.017 -13.170 186 HD3 ARG 24 1HD ARG 24 8.028 -0.675 -13.359 187 HE ARG 24 HE ARG 24 7.113 -1.861 -15.426 188 HH11 ARG 24 1HH2 ARG 24 4.274 -0.825 -14.830 189 HH12 ARG 24 2HH2 ARG 24 4.148 0.447 -15.999 190 HH21 ARG 24 1HH1 ARG 24 7.554 0.553 -16.640 191 HH22 ARG 24 2HH1 ARG 24 6.006 1.227 -17.024 192 H GLU 25 H GLU 25 5.496 -2.781 -9.688 193 HA GLU 25 HA GLU 25 3.343 -1.111 -10.486 194 HB2 GLU 25 2HB GLU 25 3.674 -3.607 -9.580 195 HB3 GLU 25 1HB GLU 25 3.212 -2.839 -8.065 196 HG2 GLU 25 2HG GLU 25 1.077 -3.147 -8.767 197 HG3 GLU 25 1HG GLU 25 1.387 -1.792 -9.855 198 H LEU 26 H LEU 26 5.340 -1.225 -7.580 199 HA LEU 26 HA LEU 26 3.728 0.528 -5.956 200 HB2 LEU 26 2HB LEU 26 6.565 -0.473 -5.982 201 HB3 LEU 26 1HB LEU 26 6.069 0.739 -4.803 202 HG LEU 26 HG LEU 26 4.556 -1.848 -5.215 203 HD11 LEU 26 1HD1 LEU 26 5.725 -2.665 -3.195 204 HD12 LEU 26 2HD1 LEU 26 6.716 -1.205 -3.182 205 HD13 LEU 26 3HD1 LEU 26 6.860 -2.360 -4.509 206 HD21 LEU 26 3HD2 LEU 26 4.545 0.392 -3.190 207 HD22 LEU 26 1HD2 LEU 26 3.913 -1.204 -2.782 208 HD23 LEU 26 2HD2 LEU 26 3.187 -0.278 -4.095 209 H ARG 27 H ARG 27 6.429 1.097 -8.211 210 HA ARG 27 HA ARG 27 6.829 3.852 -7.515 211 HB2 ARG 27 2HB ARG 27 8.374 3.808 -9.264 212 HB3 ARG 27 1HB ARG 27 8.264 2.106 -8.824 213 HG2 ARG 27 2HG ARG 27 6.291 2.178 -10.643 214 HG3 ARG 27 1HG ARG 27 7.274 3.502 -11.265 215 HD2 ARG 27 2HD ARG 27 8.743 1.036 -10.491 216 HD3 ARG 27 1HD ARG 27 7.729 0.929 -11.943 217 HE ARG 27 HE ARG 27 8.933 3.089 -12.668 218 HH11 ARG 27 1HH2 ARG 27 10.347 1.937 -9.873 219 HH12 ARG 27 2HH2 ARG 27 11.955 1.830 -10.508 220 HH21 ARG 27 1HH1 ARG 27 10.989 2.453 -13.779 221 HH22 ARG 27 2HH1 ARG 27 12.318 2.122 -12.720 222 H ILE 28 H ILE 28 4.643 2.387 -9.962 223 HA ILE 28 HA ILE 28 4.057 4.738 -11.376 224 HB ILE 28 HB ILE 28 3.490 2.621 -12.258 225 HG12 ILE 28 2HG1 ILE 28 1.791 4.549 -12.431 226 HG13 ILE 28 1HG1 ILE 28 1.271 2.935 -12.900 227 HG21 ILE 28 1HG2 ILE 28 1.670 1.246 -10.982 228 HG22 ILE 28 2HG2 ILE 28 2.206 2.170 -9.581 229 HG23 ILE 28 3HG2 ILE 28 3.348 1.149 -10.453 230 HD11 ILE 28 3HD1 ILE 28 -0.315 2.908 -11.296 231 HD12 ILE 28 1HD1 ILE 28 0.046 4.610 -11.004 232 HD13 ILE 28 2HD1 ILE 28 0.860 3.360 -10.062 233 H ARG 29 H ARG 29 2.657 3.472 -8.352 234 HA ARG 29 HA ARG 29 0.557 5.523 -8.281 235 HB2 ARG 29 2HB ARG 29 0.113 4.505 -6.078 236 HB3 ARG 29 1HB ARG 29 0.349 3.249 -7.296 237 HG2 ARG 29 2HG ARG 29 2.010 2.397 -6.048 238 HG3 ARG 29 1HG ARG 29 2.908 3.895 -6.294 239 HD2 ARG 29 2HD ARG 29 0.931 4.444 -4.325 240 HD3 ARG 29 1HD ARG 29 1.740 2.933 -3.862 241 HE ARG 29 HE ARG 29 3.023 5.564 -4.087 242 HH11 ARG 29 1HH2 ARG 29 3.450 2.169 -4.447 243 HH12 ARG 29 2HH2 ARG 29 5.074 2.175 -3.850 244 HH21 ARG 29 1HH1 ARG 29 5.093 5.571 -3.159 245 HH22 ARG 29 2HH1 ARG 29 6.004 4.099 -3.116 246 H ASP 30 H ASP 30 2.605 7.086 -8.668 247 HA ASP 30 HA ASP 30 4.370 7.825 -6.592 248 HB2 ASP 30 2HB ASP 30 3.893 8.564 -9.136 249 HB3 ASP 30 1HB ASP 30 3.149 9.931 -8.305 250 H ASN 31 H ASN 31 0.938 8.431 -6.890 251 HA ASN 31 HA ASN 31 0.618 10.770 -5.347 252 HB2 ASN 31 2HB ASN 31 -1.124 9.571 -6.641 253 HB3 ASN 31 1HB ASN 31 -1.104 8.274 -5.446 254 HD21 ASN 31 1HD2 ASN 31 -1.589 9.033 -3.105 255 HD22 ASN 31 2HD2 ASN 31 -2.732 10.273 -2.917 256 H VAL 32 H VAL 32 1.330 7.481 -4.243 257 HA VAL 32 HA VAL 32 0.694 8.131 -1.453 258 HB VAL 32 HB VAL 32 1.065 5.834 -3.074 259 HG11 VAL 32 1HG1 VAL 32 2.870 5.775 -0.637 260 HG12 VAL 32 2HG1 VAL 32 3.457 5.885 -2.294 261 HG13 VAL 32 3HG1 VAL 32 2.577 4.452 -1.766 262 HG21 VAL 32 3HG2 VAL 32 -0.194 4.847 -1.395 263 HG22 VAL 32 1HG2 VAL 32 -0.521 6.551 -1.084 264 HG23 VAL 32 2HG2 VAL 32 0.672 5.691 -0.110 265 H ARG 33 H ARG 33 2.303 8.179 0.264 266 HA ARG 33 HA ARG 33 4.697 9.669 -0.488 267 HB2 ARG 33 2HB ARG 33 2.986 9.297 1.739 268 HB3 ARG 33 1HB ARG 33 4.603 8.827 2.263 269 HG2 ARG 33 2HG ARG 33 4.467 11.292 0.627 270 HG3 ARG 33 1HG ARG 33 3.730 11.403 2.226 271 HD2 ARG 33 2HD ARG 33 5.897 11.873 2.861 272 HD3 ARG 33 1HD ARG 33 6.048 10.105 2.848 273 HE ARG 33 HE ARG 33 6.430 11.144 0.192 274 HH11 ARG 33 1HH1 ARG 33 7.993 9.318 2.363 275 HH12 ARG 33 2HH1 ARG 33 9.569 10.009 2.161 276 HH21 ARG 33 1HH2 ARG 33 8.433 12.717 0.318 277 HH22 ARG 33 2HH2 ARG 33 9.818 11.934 1.003 278 H ARG 34 H ARG 34 4.165 6.465 1.114 279 HA ARG 34 HA ARG 34 6.782 5.586 0.021 280 HB2 ARG 34 2HB ARG 34 6.580 6.802 2.505 281 HB3 ARG 34 1HB ARG 34 6.581 5.082 2.895 282 HG2 ARG 34 2HG ARG 34 8.585 4.873 1.318 283 HG3 ARG 34 1HG ARG 34 8.660 6.635 1.347 284 HD2 ARG 34 2HD ARG 34 9.145 6.690 3.671 285 HD3 ARG 34 1HD ARG 34 8.624 5.008 3.900 286 HE ARG 34 HE ARG 34 10.891 5.517 2.047 287 HH11 ARG 34 1HH2 ARG 34 11.352 5.787 5.120 288 HH12 ARG 34 2HH2 ARG 34 12.000 4.218 5.461 289 HH21 ARG 34 1HH1 ARG 34 10.993 2.851 2.438 290 HH22 ARG 34 2HH1 ARG 34 11.797 2.557 3.944 291 H VAL 35 H VAL 35 7.133 3.288 0.230 292 HA VAL 35 HA VAL 35 4.856 1.651 1.233 293 HB VAL 35 HB VAL 35 4.674 2.205 -1.245 294 HG11 VAL 35 1HG1 VAL 35 7.197 2.063 -1.559 295 HG12 VAL 35 2HG1 VAL 35 6.237 1.216 -2.772 296 HG13 VAL 35 3HG1 VAL 35 7.022 0.310 -1.480 297 HG21 VAL 35 3HG2 VAL 35 4.280 -0.212 0.145 298 HG22 VAL 35 1HG2 VAL 35 5.040 -0.670 -1.379 299 HG23 VAL 35 2HG2 VAL 35 3.540 0.259 -1.385 300 H MET 36 H MET 36 5.592 -0.205 2.261 301 HA MET 36 HA MET 36 8.438 -0.946 1.877 302 HB2 MET 36 2HB MET 36 7.532 0.287 4.042 303 HB3 MET 36 1HB MET 36 7.014 -1.343 4.475 304 HG2 MET 36 2HG MET 36 9.708 -1.425 3.447 305 HG3 MET 36 1HG MET 36 9.605 -0.240 4.750 306 HE1 MET 36 3HE MET 36 11.357 -2.526 6.317 307 HE2 MET 36 1HE MET 36 10.243 -1.971 7.575 308 HE3 MET 36 2HE MET 36 10.739 -0.877 6.284 309 H VAL 37 H VAL 37 8.524 -2.976 0.982 310 HA VAL 37 HA VAL 37 6.351 -4.925 1.681 311 HB VAL 37 HB VAL 37 8.168 -4.781 -0.744 312 HG11 VAL 37 1HG1 VAL 37 7.359 -6.853 -1.115 313 HG12 VAL 37 2HG1 VAL 37 5.773 -6.113 -1.329 314 HG13 VAL 37 3HG1 VAL 37 6.252 -6.728 0.253 315 HG21 VAL 37 3HG2 VAL 37 6.829 -3.136 -1.500 316 HG22 VAL 37 1HG2 VAL 37 5.893 -3.188 -0.006 317 HG23 VAL 37 2HG2 VAL 37 5.446 -4.220 -1.366 318 H VAL 38 H VAL 38 6.983 -6.795 2.717 319 HA VAL 38 HA VAL 38 9.923 -7.383 2.883 320 HB VAL 38 HB VAL 38 9.117 -8.581 5.022 321 HG11 VAL 38 1HG1 VAL 38 8.514 -5.637 5.121 322 HG12 VAL 38 2HG1 VAL 38 10.144 -6.180 4.722 323 HG13 VAL 38 3HG1 VAL 38 9.419 -6.626 6.268 324 HG21 VAL 38 3HG2 VAL 38 6.763 -6.765 4.992 325 HG22 VAL 38 1HG2 VAL 38 6.942 -8.362 5.719 326 HG23 VAL 38 2HG2 VAL 38 6.644 -8.209 3.986 327 H ALA 39 H ALA 39 10.541 -9.271 1.884 328 HA ALA 39 HA ALA 39 8.538 -11.069 0.737 329 HB1 ALA 39 1HB ALA 39 11.549 -11.333 0.887 330 HB2 ALA 39 2HB ALA 39 10.709 -10.353 -0.315 331 HB3 ALA 39 3HB ALA 39 10.471 -12.100 -0.279 332 H SER 40 H SER 40 8.319 -13.313 1.226 333 HA SER 40 HA SER 40 8.597 -14.006 4.049 334 HB2 SER 40 2HB SER 40 7.660 -16.198 3.113 335 HB3 SER 40 1HB SER 40 6.684 -14.762 2.816 336 HG SER 40 HG SER 40 7.212 -14.816 0.744 337 H THR 41 H THR 41 9.369 -16.628 4.083 338 HA THR 41 HA THR 41 12.241 -16.468 3.255 339 HB THR 41 HB THR 41 11.441 -16.670 5.695 340 HG1 THR 41 1HG THR 41 13.100 -18.774 4.793 341 HG21 THR 41 3HG2 THR 41 10.951 -19.520 4.783 342 HG22 THR 41 1HG2 THR 41 9.689 -18.368 5.223 343 HG23 THR 41 2HG2 THR 41 10.841 -18.922 6.439 344 H THR 42 H THR 42 9.350 -18.520 3.113 345 HA THR 42 HA THR 42 10.887 -20.456 1.430 346 HB THR 42 HB THR 42 8.552 -20.635 3.305 347 HG1 THR 42 1HG THR 42 10.851 -21.119 3.745 348 HG21 THR 42 3HG2 THR 42 8.159 -22.964 2.429 349 HG22 THR 42 1HG2 THR 42 9.170 -22.555 1.043 350 HG23 THR 42 2HG2 THR 42 7.657 -21.692 1.314 351 HA PRO 43 HA PRO 43 6.971 -19.912 -1.188 352 HB2 PRO 43 2HB PRO 43 4.904 -18.376 -0.270 353 HB3 PRO 43 1HB PRO 43 5.054 -20.107 0.092 354 HG2 PRO 43 2HG PRO 43 5.734 -17.756 1.787 355 HG3 PRO 43 1HG PRO 43 4.983 -19.294 2.239 356 HD2 PRO 43 2HD PRO 43 7.603 -18.725 2.681 357 HD3 PRO 43 1HD PRO 43 6.990 -20.372 2.425 358 H GLY 44 H GLY 44 5.478 -17.628 -1.896 359 HA2 GLY 44 2HA GLY 44 7.564 -15.538 -2.073 360 HA3 GLY 44 1HA GLY 44 6.493 -15.916 -3.417 361 H ARG 45 H ARG 45 5.462 -15.839 -0.068 362 HA ARG 45 HA ARG 45 3.476 -13.741 -0.748 363 HB2 ARG 45 2HB ARG 45 3.877 -15.894 1.273 364 HB3 ARG 45 1HB ARG 45 2.941 -14.491 1.787 365 HG2 ARG 45 2HG ARG 45 1.190 -15.013 0.449 366 HG3 ARG 45 1HG ARG 45 2.235 -15.495 -0.887 367 HD2 ARG 45 2HD ARG 45 2.545 -17.686 -0.003 368 HD3 ARG 45 1HD ARG 45 1.924 -17.212 1.591 369 HE ARG 45 HE ARG 45 -0.025 -16.727 -0.501 370 HH11 ARG 45 1HH2 ARG 45 0.491 -18.316 2.361 371 HH12 ARG 45 2HH2 ARG 45 -0.494 -19.695 2.000 372 HH21 ARG 45 1HH1 ARG 45 -0.913 -18.855 -1.337 373 HH22 ARG 45 2HH1 ARG 45 -1.288 -20.000 -0.092 374 H TYR 46 H TYR 46 3.612 -11.665 0.087 375 HA TYR 46 HA TYR 46 5.561 -11.220 2.305 376 HB2 TYR 46 2HB TYR 46 6.138 -9.044 1.040 377 HB3 TYR 46 1HB TYR 46 6.819 -10.549 0.459 378 HD1 TYR 46 2HD TYR 46 4.322 -7.938 -0.141 379 HD2 TYR 46 1HD TYR 46 6.095 -11.547 -1.639 380 HE1 TYR 46 2HE TYR 46 3.285 -7.527 -2.346 381 HE2 TYR 46 1HE TYR 46 5.057 -11.143 -3.854 382 HH TYR 46 HH TYR 46 4.104 -9.445 -5.150 383 H GLU 47 H GLU 47 5.140 -9.387 3.553 384 HA GLU 47 HA GLU 47 2.279 -8.645 3.683 385 HB2 GLU 47 2HB GLU 47 4.703 -8.321 5.471 386 HB3 GLU 47 1HB GLU 47 3.134 -7.623 5.873 387 HG2 GLU 47 2HG GLU 47 2.743 -9.628 6.870 388 HG3 GLU 47 1HG GLU 47 2.429 -10.190 5.228 389 H VAL 48 H VAL 48 2.044 -7.092 2.012 390 HA VAL 48 HA VAL 48 3.920 -4.891 1.665 391 HB VAL 48 HB VAL 48 1.181 -5.643 0.630 392 HG11 VAL 48 1HG1 VAL 48 2.518 -3.020 0.574 393 HG12 VAL 48 2HG1 VAL 48 0.833 -3.431 0.252 394 HG13 VAL 48 3HG1 VAL 48 2.044 -3.617 -1.017 395 HG21 VAL 48 3HG2 VAL 48 2.450 -6.743 -0.871 396 HG22 VAL 48 1HG2 VAL 48 3.919 -6.121 -0.122 397 HG23 VAL 48 2HG2 VAL 48 3.121 -5.199 -1.394 398 H ASN 49 H ASN 49 3.957 -3.085 2.899 399 HA ASN 49 HA ASN 49 1.455 -2.151 4.222 400 HB2 ASN 49 2HB ASN 49 4.266 -2.075 5.373 401 HB3 ASN 49 1HB ASN 49 2.760 -1.712 6.216 402 HD21 ASN 49 1HD2 ASN 49 5.032 -4.144 5.796 403 HD22 ASN 49 2HD2 ASN 49 4.068 -5.482 6.201 404 H ILE 50 H ILE 50 1.114 -0.450 2.841 405 HA ILE 50 HA ILE 50 3.401 1.400 2.301 406 HB ILE 50 HB ILE 50 2.153 0.135 0.471 407 HG12 ILE 50 2HG1 ILE 50 3.486 2.361 0.270 408 HG13 ILE 50 1HG1 ILE 50 2.414 1.913 -1.052 409 HG21 ILE 50 1HG2 ILE 50 -0.023 1.159 -0.206 410 HG22 ILE 50 2HG2 ILE 50 -0.004 2.106 1.282 411 HG23 ILE 50 3HG2 ILE 50 -0.103 0.347 1.357 412 HD11 ILE 50 3HD1 ILE 50 1.120 3.713 -0.722 413 HD12 ILE 50 1HD1 ILE 50 2.372 4.315 0.360 414 HD13 ILE 50 2HD1 ILE 50 1.006 3.410 1.010 415 H VAL 51 H VAL 51 3.247 3.532 2.900 416 HA VAL 51 HA VAL 51 0.939 4.325 4.580 417 HB VAL 51 HB VAL 51 3.215 4.599 5.435 418 HG11 VAL 51 1HG1 VAL 51 3.683 5.462 2.719 419 HG12 VAL 51 2HG1 VAL 51 4.861 5.058 3.967 420 HG13 VAL 51 3HG1 VAL 51 4.236 6.701 3.843 421 HG21 VAL 51 3HG2 VAL 51 1.270 6.527 5.458 422 HG22 VAL 51 1HG2 VAL 51 2.636 7.429 4.802 423 HG23 VAL 51 2HG2 VAL 51 2.775 6.635 6.370 424 H LEU 52 H LEU 52 -0.248 6.301 4.152 425 HA LEU 52 HA LEU 52 -0.269 7.020 1.261 426 HB2 LEU 52 2HB LEU 52 -2.136 7.155 3.601 427 HB3 LEU 52 1HB LEU 52 -2.408 8.250 2.245 428 HG LEU 52 HG LEU 52 -1.917 5.846 0.981 429 HD11 LEU 52 1HD1 LEU 52 -2.085 4.873 3.377 430 HD12 LEU 52 2HD1 LEU 52 -3.042 4.103 2.111 431 HD13 LEU 52 3HD1 LEU 52 -3.809 5.216 3.244 432 HD21 LEU 52 3HD2 LEU 52 -4.044 6.166 0.159 433 HD22 LEU 52 1HD2 LEU 52 -3.845 7.730 0.950 434 HD23 LEU 52 2HD2 LEU 52 -4.732 6.439 1.761 435 H ASN 53 H ASN 53 -0.989 9.478 0.999 436 HA ASN 53 HA ASN 53 1.167 11.186 1.486 437 HB2 ASN 53 2HB ASN 53 -1.577 11.282 0.589 438 HB3 ASN 53 1HB ASN 53 -1.223 12.718 1.551 439 HD21 ASN 53 1HD2 ASN 53 0.618 10.753 -0.869 440 HD22 ASN 53 2HD2 ASN 53 1.133 12.094 -1.773 441 HA PRO 54 HA PRO 54 0.963 12.712 5.609 442 HB2 PRO 54 2HB PRO 54 0.418 15.405 5.451 443 HB3 PRO 54 1HB PRO 54 2.001 14.703 5.054 444 HG2 PRO 54 2HG PRO 54 -0.232 15.481 3.228 445 HG3 PRO 54 1HG PRO 54 1.509 15.769 3.060 446 HD2 PRO 54 2HD PRO 54 0.297 13.799 1.719 447 HD3 PRO 54 1HD PRO 54 1.939 13.595 2.367 448 H ASN 55 H ASN 55 -1.781 13.099 3.586 449 HA ASN 55 HA ASN 55 -3.585 12.978 5.959 450 HB2 ASN 55 2HB ASN 55 -3.355 15.341 5.272 451 HB3 ASN 55 1HB ASN 55 -3.792 14.908 3.619 452 HD21 ASN 55 1HD2 ASN 55 -5.221 16.637 5.736 453 HD22 ASN 55 2HD2 ASN 55 -6.793 15.998 5.794 454 H LEU 56 H LEU 56 -3.769 10.697 5.197 455 HA LEU 56 HA LEU 56 -4.597 10.029 2.532 456 HB2 LEU 56 2HB LEU 56 -5.361 7.882 3.765 457 HB3 LEU 56 1HB LEU 56 -3.653 8.304 3.827 458 HG LEU 56 HG LEU 56 -3.808 9.075 6.056 459 HD11 LEU 56 1HD1 LEU 56 -6.011 9.351 7.213 460 HD12 LEU 56 2HD1 LEU 56 -6.814 9.043 5.673 461 HD13 LEU 56 3HD1 LEU 56 -5.793 10.468 5.867 462 HD21 LEU 56 3HD2 LEU 56 -4.842 7.204 7.272 463 HD22 LEU 56 1HD2 LEU 56 -3.980 6.616 5.850 464 HD23 LEU 56 2HD2 LEU 56 -5.738 6.749 5.822 465 H ASP 57 H ASP 57 -6.779 8.624 2.430 466 HA ASP 57 HA ASP 57 -9.115 9.427 3.827 467 HB2 ASP 57 2HB ASP 57 -8.680 11.648 3.041 468 HB3 ASP 57 1HB ASP 57 -8.324 11.075 1.415 469 H GLN 58 H GLN 58 -11.117 8.932 2.416 470 HA GLN 58 HA GLN 58 -10.836 6.374 1.213 471 HB2 GLN 58 2HB GLN 58 -12.943 8.491 1.445 472 HB3 GLN 58 1HB GLN 58 -13.233 7.139 0.351 473 HG2 GLN 58 2HG GLN 58 -12.361 5.765 2.495 474 HG3 GLN 58 1HG GLN 58 -13.044 7.165 3.322 475 HE21 GLN 58 1HE2 GLN 58 -14.561 5.193 4.016 476 HE22 GLN 58 2HE2 GLN 58 -15.939 4.969 3.049 477 H SER 59 H SER 59 -11.134 9.619 -0.208 478 HA SER 59 HA SER 59 -11.183 8.711 -2.930 479 HB2 SER 59 2HB SER 59 -11.709 11.021 -1.581 480 HB3 SER 59 1HB SER 59 -10.137 11.403 -2.277 481 HG SER 59 HG SER 59 -10.975 10.883 -4.311 482 H GLN 60 H GLN 60 -8.644 9.605 -0.654 483 HA GLN 60 HA GLN 60 -6.522 9.742 -2.630 484 HB2 GLN 60 2HB GLN 60 -6.547 9.342 0.381 485 HB3 GLN 60 1HB GLN 60 -5.121 9.761 -0.565 486 HG2 GLN 60 2HG GLN 60 -7.508 11.482 -0.971 487 HG3 GLN 60 1HG GLN 60 -6.706 11.619 0.595 488 HE21 GLN 60 1HE2 GLN 60 -4.232 11.949 0.457 489 HE22 GLN 60 2HE2 GLN 60 -3.645 12.896 -0.824 490 H LEU 61 H LEU 61 -7.545 7.226 -0.264 491 HA LEU 61 HA LEU 61 -5.522 5.343 -1.122 492 HB2 LEU 61 2HB LEU 61 -6.943 3.714 0.079 493 HB3 LEU 61 1HB LEU 61 -6.661 5.170 1.040 494 HG LEU 61 HG LEU 61 -8.901 5.967 -0.152 495 HD11 LEU 61 1HD1 LEU 61 -8.657 3.304 -1.056 496 HD12 LEU 61 2HD1 LEU 61 -10.051 4.367 -1.240 497 HD13 LEU 61 3HD1 LEU 61 -9.942 3.289 0.152 498 HD21 LEU 61 3HD2 LEU 61 -8.411 4.279 2.266 499 HD22 LEU 61 1HD2 LEU 61 -10.086 4.564 1.796 500 HD23 LEU 61 2HD2 LEU 61 -9.028 5.928 2.158 501 H ALA 62 H ALA 62 -8.842 6.038 -2.141 502 HA ALA 62 HA ALA 62 -9.384 3.792 -3.711 503 HB1 ALA 62 1HB ALA 62 -9.974 6.746 -4.008 504 HB2 ALA 62 2HB ALA 62 -11.050 5.482 -3.410 505 HB3 ALA 62 3HB ALA 62 -10.643 5.555 -5.125 506 H LEU 63 H LEU 63 -7.290 6.558 -4.305 507 HA LEU 63 HA LEU 63 -6.728 5.943 -7.050 508 HB2 LEU 63 2HB LEU 63 -5.589 7.628 -4.843 509 HB3 LEU 63 1HB LEU 63 -4.675 7.444 -6.335 510 HG LEU 63 HG LEU 63 -7.541 8.411 -6.159 511 HD11 LEU 63 1HD1 LEU 63 -5.606 10.276 -7.241 512 HD12 LEU 63 2HD1 LEU 63 -5.131 9.772 -5.619 513 HD13 LEU 63 3HD1 LEU 63 -6.718 10.493 -5.889 514 HD21 LEU 63 3HD2 LEU 63 -6.152 7.242 -8.290 515 HD22 LEU 63 1HD2 LEU 63 -6.036 8.976 -8.593 516 HD23 LEU 63 2HD2 LEU 63 -7.617 8.217 -8.413 517 H GLU 64 H GLU 64 -4.883 5.417 -4.021 518 HA GLU 64 HA GLU 64 -2.837 3.862 -5.354 519 HB2 GLU 64 2HB GLU 64 -3.711 4.398 -2.517 520 HB3 GLU 64 1HB GLU 64 -2.439 3.222 -2.843 521 HG2 GLU 64 2HG GLU 64 -1.681 5.629 -2.385 522 HG3 GLU 64 1HG GLU 64 -1.030 4.864 -3.834 523 H LYS 65 H LYS 65 -5.845 3.076 -3.651 524 HA LYS 65 HA LYS 65 -5.367 0.210 -3.658 525 HB2 LYS 65 2HB LYS 65 -7.283 2.112 -2.673 526 HB3 LYS 65 1HB LYS 65 -8.141 0.816 -3.499 527 HG2 LYS 65 2HG LYS 65 -7.677 0.406 -1.034 528 HG3 LYS 65 1HG LYS 65 -7.106 -0.857 -2.126 529 HD2 LYS 65 2HD LYS 65 -5.047 1.120 -1.899 530 HD3 LYS 65 1HD LYS 65 -5.573 0.683 -0.273 531 HE2 LYS 65 2HE LYS 65 -5.251 -1.712 -0.800 532 HE3 LYS 65 1HE LYS 65 -4.719 -1.279 -2.436 533 HZ1 LYS 65 3HZ LYS 65 -3.059 -1.468 -0.347 534 HZ2 LYS 65 1HZ LYS 65 -3.445 0.182 -0.278 535 HZ3 LYS 65 2HZ LYS 65 -2.769 -0.473 -1.692 536 H GLU 66 H GLU 66 -7.191 2.431 -5.808 537 HA GLU 66 HA GLU 66 -8.230 0.275 -7.414 538 HB2 GLU 66 2HB GLU 66 -9.159 2.027 -8.709 539 HB3 GLU 66 1HB GLU 66 -9.076 2.695 -7.081 540 HG2 GLU 66 2HG GLU 66 -6.937 3.803 -7.647 541 HG3 GLU 66 1HG GLU 66 -7.028 3.135 -9.277 542 H ILE 67 H ILE 67 -5.413 2.426 -7.628 543 HA ILE 67 HA ILE 67 -4.598 1.426 -10.240 544 HB ILE 67 HB ILE 67 -3.063 2.965 -8.128 545 HG12 ILE 67 2HG1 ILE 67 -5.333 3.922 -8.675 546 HG13 ILE 67 1HG1 ILE 67 -3.999 4.982 -9.122 547 HG21 ILE 67 1HG2 ILE 67 -1.488 2.564 -9.752 548 HG22 ILE 67 2HG2 ILE 67 -2.272 3.959 -10.494 549 HG23 ILE 67 3HG2 ILE 67 -2.698 2.328 -11.013 550 HD11 ILE 67 3HD1 ILE 67 -4.164 4.242 -11.429 551 HD12 ILE 67 1HD1 ILE 67 -5.750 4.779 -10.874 552 HD13 ILE 67 2HD1 ILE 67 -5.394 3.055 -10.984 553 H ILE 68 H ILE 68 -3.634 0.769 -6.857 554 HA ILE 68 HA ILE 68 -1.400 -0.927 -7.550 555 HB ILE 68 HB ILE 68 -3.188 -0.582 -5.130 556 HG12 ILE 68 2HG1 ILE 68 -0.269 0.085 -5.636 557 HG13 ILE 68 1HG1 ILE 68 -1.596 1.242 -5.747 558 HG21 ILE 68 1HG2 ILE 68 -0.994 -2.560 -5.650 559 HG22 ILE 68 2HG2 ILE 68 -2.505 -2.776 -4.766 560 HG23 ILE 68 3HG2 ILE 68 -1.173 -1.883 -4.031 561 HD11 ILE 68 3HD1 ILE 68 -2.180 0.586 -3.345 562 HD12 ILE 68 1HD1 ILE 68 -0.695 1.515 -3.554 563 HD13 ILE 68 2HD1 ILE 68 -0.616 -0.228 -3.293 564 H GLN 69 H GLN 69 -4.826 -1.566 -6.817 565 HA GLN 69 HA GLN 69 -4.690 -4.424 -6.941 566 HB2 GLN 69 2HB GLN 69 -6.798 -2.296 -7.246 567 HB3 GLN 69 1HB GLN 69 -7.214 -3.987 -7.525 568 HG2 GLN 69 2HG GLN 69 -5.944 -4.335 -5.222 569 HG3 GLN 69 1HG GLN 69 -6.366 -2.637 -4.990 570 HE21 GLN 69 1HE2 GLN 69 -7.482 -5.219 -3.725 571 HE22 GLN 69 2HE2 GLN 69 -9.160 -5.088 -3.946 572 H ARG 70 H ARG 70 -5.598 -2.008 -9.436 573 HA ARG 70 HA ARG 70 -6.050 -3.877 -11.529 574 HB2 ARG 70 2HB ARG 70 -5.650 -0.971 -11.155 575 HB3 ARG 70 1HB ARG 70 -5.309 -1.573 -12.777 576 HG2 ARG 70 2HG ARG 70 -7.494 -2.243 -13.141 577 HG3 ARG 70 1HG ARG 70 -7.811 -2.496 -11.425 578 HD2 ARG 70 2HD ARG 70 -7.342 0.182 -11.420 579 HD3 ARG 70 1HD ARG 70 -8.056 -0.016 -13.033 580 HE ARG 70 HE ARG 70 -9.378 -1.187 -10.618 581 HH11 ARG 70 1HH1 ARG 70 -10.274 -1.358 -13.598 582 HH12 ARG 70 2HH1 ARG 70 -11.580 -0.218 -13.581 583 HH21 ARG 70 1HH2 ARG 70 -10.669 1.176 -10.538 584 HH22 ARG 70 2HH2 ARG 70 -11.803 1.218 -11.846 585 H ALA 71 H ALA 71 -3.127 -2.084 -10.551 586 HA ALA 71 HA ALA 71 -1.489 -2.901 -12.736 587 HB1 ALA 71 1HB ALA 71 -0.559 -2.287 -9.933 588 HB2 ALA 71 2HB ALA 71 -1.252 -1.031 -10.958 589 HB3 ALA 71 3HB ALA 71 0.219 -1.861 -11.458 590 H LEU 72 H LEU 72 -1.798 -4.163 -9.407 591 HA LEU 72 HA LEU 72 0.026 -6.335 -9.721 592 HB2 LEU 72 2HB LEU 72 -2.276 -5.686 -7.880 593 HB3 LEU 72 1HB LEU 72 -1.327 -7.159 -7.684 594 HG LEU 72 HG LEU 72 -0.192 -4.348 -7.717 595 HD11 LEU 72 1HD1 LEU 72 0.026 -4.519 -5.361 596 HD12 LEU 72 2HD1 LEU 72 -0.309 -6.250 -5.373 597 HD13 LEU 72 3HD1 LEU 72 -1.606 -5.098 -5.694 598 HD21 LEU 72 3HD2 LEU 72 0.974 -6.998 -7.995 599 HD22 LEU 72 1HD2 LEU 72 1.608 -6.170 -6.573 600 HD23 LEU 72 2HD2 LEU 72 1.744 -5.421 -8.163 601 H GLU 73 H GLU 73 -3.441 -6.008 -10.278 602 HA GLU 73 HA GLU 73 -3.995 -8.785 -10.708 603 HB2 GLU 73 2HB GLU 73 -5.321 -6.148 -11.037 604 HB3 GLU 73 1HB GLU 73 -5.955 -7.453 -12.032 605 HG2 GLU 73 2HG GLU 73 -5.471 -7.828 -9.080 606 HG3 GLU 73 1HG GLU 73 -6.987 -7.161 -9.686 607 H ASN 74 H ASN 74 -3.278 -6.035 -12.832 608 HA ASN 74 HA ASN 74 -3.533 -7.348 -15.323 609 HB2 ASN 74 2HB ASN 74 -2.254 -4.950 -14.158 610 HB3 ASN 74 1HB ASN 74 -1.493 -5.525 -15.641 611 HD21 ASN 74 1HD2 ASN 74 -3.901 -3.476 -14.559 612 HD22 ASN 74 2HD2 ASN 74 -4.885 -3.457 -15.941 613 H TYR 75 H TYR 75 -0.926 -7.179 -12.931 614 HA TYR 75 HA TYR 75 1.036 -8.572 -14.561 615 HB2 TYR 75 2HB TYR 75 1.011 -7.023 -12.333 616 HB3 TYR 75 1HB TYR 75 1.161 -8.620 -11.609 617 HD1 TYR 75 1HD TYR 75 2.632 -6.275 -14.048 618 HD2 TYR 75 2HD TYR 75 3.195 -9.895 -11.817 619 HE1 TYR 75 1HE TYR 75 5.028 -6.308 -14.710 620 HE2 TYR 75 2HE TYR 75 5.589 -9.935 -12.475 621 HH TYR 75 HH TYR 75 6.911 -8.836 -14.658 622 H GLY 76 H GLY 76 -1.441 -9.553 -12.237 623 HA2 GLY 76 2HA GLY 76 -2.365 -11.840 -12.543 624 HA3 GLY 76 1HA GLY 76 -0.703 -12.367 -12.760 625 H ALA 77 H ALA 77 -0.601 -10.047 -10.416 626 HA ALA 77 HA ALA 77 -0.458 -12.109 -8.278 627 HB1 ALA 77 1HB ALA 77 1.354 -10.396 -8.811 628 HB2 ALA 77 2HB ALA 77 0.839 -10.441 -7.125 629 HB3 ALA 77 3HB ALA 77 0.254 -9.164 -8.193 630 H ARG 78 H ARG 78 -2.161 -12.339 -6.878 631 HA ARG 78 HA ARG 78 -4.041 -10.016 -6.576 632 HB2 ARG 78 2HB ARG 78 -5.022 -11.871 -7.813 633 HB3 ARG 78 1HB ARG 78 -4.517 -13.013 -6.566 634 HG2 ARG 78 2HG ARG 78 -5.979 -10.924 -5.284 635 HG3 ARG 78 1HG ARG 78 -6.921 -11.463 -6.674 636 HD2 ARG 78 2HD ARG 78 -5.855 -13.185 -4.411 637 HD3 ARG 78 1HD ARG 78 -7.553 -12.891 -4.837 638 HE ARG 78 HE ARG 78 -6.173 -13.903 -7.133 639 HH11 ARG 78 1HH1 ARG 78 -8.825 -14.897 -6.067 640 HH12 ARG 78 2HH1 ARG 78 -8.426 -16.518 -5.605 641 HH21 ARG 78 1HH2 ARG 78 -5.003 -15.977 -5.662 642 HH22 ARG 78 2HH2 ARG 78 -6.264 -17.129 -5.377 643 H VAL 79 H VAL 79 -4.861 -9.652 -4.438 644 HA VAL 79 HA VAL 79 -3.108 -10.700 -2.296 645 HB VAL 79 HB VAL 79 -5.356 -8.696 -2.048 646 HG11 VAL 79 1HG1 VAL 79 -3.884 -9.707 -0.108 647 HG12 VAL 79 2HG1 VAL 79 -4.245 -7.981 -0.134 648 HG13 VAL 79 3HG1 VAL 79 -2.679 -8.564 -0.700 649 HG21 VAL 79 3HG2 VAL 79 -4.300 -7.309 -3.482 650 HG22 VAL 79 1HG2 VAL 79 -3.025 -8.500 -3.740 651 HG23 VAL 79 2HG2 VAL 79 -2.892 -7.339 -2.420 652 H GLU 80 H GLU 80 -3.786 -12.506 -1.233 653 HA GLU 80 HA GLU 80 -6.568 -13.410 -1.410 654 HB2 GLU 80 2HB GLU 80 -5.266 -15.278 -1.379 655 HB3 GLU 80 1HB GLU 80 -3.895 -14.397 -0.712 656 HG2 GLU 80 2HG GLU 80 -4.959 -14.534 1.544 657 HG3 GLU 80 1HG GLU 80 -6.241 -15.526 0.847 658 H LYS 81 H LYS 81 -4.927 -11.217 0.546 659 HA LYS 81 HA LYS 81 -6.859 -11.642 2.791 660 HB2 LYS 81 2HB LYS 81 -5.048 -11.136 4.263 661 HB3 LYS 81 1HB LYS 81 -4.389 -12.251 3.069 662 HG2 LYS 81 2HG LYS 81 -2.755 -10.636 2.964 663 HG3 LYS 81 1HG LYS 81 -3.878 -9.958 1.785 664 HD2 LYS 81 2HD LYS 81 -3.850 -8.092 3.069 665 HD3 LYS 81 1HD LYS 81 -4.860 -9.003 4.193 666 HE2 LYS 81 2HE LYS 81 -1.831 -9.130 4.267 667 HE3 LYS 81 1HE LYS 81 -2.770 -7.974 5.233 668 HZ1 LYS 81 3HZ LYS 81 -4.140 -9.960 5.936 669 HZ2 LYS 81 1HZ LYS 81 -2.572 -9.880 6.577 670 HZ3 LYS 81 2HZ LYS 81 -2.908 -10.934 5.287 671 H VAL 82 H VAL 82 -7.832 -9.750 3.592 672 HA VAL 82 HA VAL 82 -6.948 -7.124 2.467 673 HB VAL 82 HB VAL 82 -9.680 -8.431 2.380 674 HG11 VAL 82 1HG1 VAL 82 -9.769 -6.057 3.267 675 HG12 VAL 82 2HG1 VAL 82 -10.651 -6.320 1.764 676 HG13 VAL 82 3HG1 VAL 82 -9.072 -5.536 1.734 677 HG21 VAL 82 3HG2 VAL 82 -8.913 -7.006 0.016 678 HG22 VAL 82 1HG2 VAL 82 -9.141 -8.744 0.216 679 HG23 VAL 82 2HG2 VAL 82 -7.559 -8.022 0.511 680 H GLU 83 H GLU 83 -6.332 -6.173 4.421 681 HA GLU 83 HA GLU 83 -8.361 -6.229 6.632 682 HB2 GLU 83 2HB GLU 83 -5.617 -7.123 6.484 683 HB3 GLU 83 1HB GLU 83 -5.774 -5.857 7.702 684 HG2 GLU 83 2HG GLU 83 -6.297 -7.779 8.929 685 HG3 GLU 83 1HG GLU 83 -7.894 -7.204 8.448 686 H GLU 84 H GLU 84 -9.185 -4.142 6.595 687 HA GLU 84 HA GLU 84 -7.349 -1.865 6.194 688 HB2 GLU 84 2HB GLU 84 -9.645 -2.310 5.014 689 HB3 GLU 84 1HB GLU 84 -10.338 -1.734 6.530 690 HG2 GLU 84 2HG GLU 84 -8.157 -0.043 5.512 691 HG3 GLU 84 1HG GLU 84 -9.561 -0.112 4.445 692 H LEU 85 H LEU 85 -6.424 -1.218 8.129 693 HA LEU 85 HA LEU 85 -7.773 -1.673 10.687 694 HB2 LEU 85 2HB LEU 85 -5.198 -0.440 9.725 695 HB3 LEU 85 1HB LEU 85 -5.670 -0.318 11.420 696 HG LEU 85 HG LEU 85 -6.119 -3.001 10.737 697 HD11 LEU 85 1HD1 LEU 85 -4.763 -2.586 8.685 698 HD12 LEU 85 2HD1 LEU 85 -3.995 -3.737 9.778 699 HD13 LEU 85 3HD1 LEU 85 -3.421 -2.071 9.707 700 HD21 LEU 85 3HD2 LEU 85 -5.120 -3.078 12.753 701 HD22 LEU 85 1HD2 LEU 85 -4.549 -1.421 12.559 702 HD23 LEU 85 2HD2 LEU 85 -3.571 -2.765 11.970 703 H GLY 86 H GLY 86 -8.634 0.428 8.424 704 HA2 GLY 86 2HA GLY 86 -9.935 2.380 8.545 705 HA3 GLY 86 1HA GLY 86 -9.807 2.293 10.300 706 H LEU 87 H LEU 87 -9.039 4.211 7.755 707 HA LEU 87 HA LEU 87 -6.364 5.037 8.237 708 HB2 LEU 87 2HB LEU 87 -7.211 7.124 7.071 709 HB3 LEU 87 1HB LEU 87 -7.569 5.619 6.224 710 HG LEU 87 HG LEU 87 -9.711 5.991 8.007 711 HD11 LEU 87 1HD1 LEU 87 -9.147 8.305 8.356 712 HD12 LEU 87 2HD1 LEU 87 -10.508 8.269 7.234 713 HD13 LEU 87 3HD1 LEU 87 -8.875 8.557 6.632 714 HD21 LEU 87 3HD2 LEU 87 -10.175 5.021 5.928 715 HD22 LEU 87 1HD2 LEU 87 -9.269 6.250 5.044 716 HD23 LEU 87 2HD2 LEU 87 -10.848 6.639 5.725 717 H ARG 88 H ARG 88 -5.694 7.069 9.355 718 HA ARG 88 HA ARG 88 -7.504 7.786 11.589 719 HB2 ARG 88 2HB ARG 88 -4.702 6.876 11.454 720 HB3 ARG 88 1HB ARG 88 -4.998 8.214 12.565 721 HG2 ARG 88 2HG ARG 88 -6.885 5.894 12.609 722 HG3 ARG 88 1HG ARG 88 -5.298 5.693 13.354 723 HD2 ARG 88 2HD ARG 88 -5.900 6.957 15.139 724 HD3 ARG 88 1HD ARG 88 -6.525 8.244 14.091 725 HE ARG 88 HE ARG 88 -8.650 7.357 14.603 726 HH11 ARG 88 1HH1 ARG 88 -6.451 5.021 15.574 727 HH12 ARG 88 2HH1 ARG 88 -7.487 3.665 15.278 728 HH21 ARG 88 1HH2 ARG 88 -9.935 5.543 13.693 729 HH22 ARG 88 2HH2 ARG 88 -9.460 3.960 14.213 730 H ARG 89 H ARG 89 -7.367 9.996 12.319 731 HA ARG 89 HA ARG 89 -5.777 11.869 10.623 732 HB2 ARG 89 2HB ARG 89 -8.762 11.697 10.990 733 HB3 ARG 89 1HB ARG 89 -8.004 13.251 10.641 734 HG2 ARG 89 2HG ARG 89 -7.422 10.810 8.964 735 HG3 ARG 89 1HG ARG 89 -8.808 11.846 8.626 736 HD2 ARG 89 2HD ARG 89 -6.152 13.177 9.013 737 HD3 ARG 89 1HD ARG 89 -6.449 12.331 7.480 738 HE ARG 89 HE ARG 89 -7.988 14.035 6.941 739 HH11 ARG 89 1HH2 ARG 89 -6.614 15.310 9.537 740 HH12 ARG 89 2HH2 ARG 89 -8.033 15.984 10.269 741 HH21 ARG 89 1HH1 ARG 89 -10.232 14.248 8.224 742 HH22 ARG 89 2HH1 ARG 89 -10.082 15.381 9.526 743 H LEU 90 H LEU 90 -4.547 12.849 12.204 744 HA LEU 90 HA LEU 90 -5.973 13.807 14.666 745 HB2 LEU 90 2HB LEU 90 -4.012 11.885 14.476 746 HB3 LEU 90 1HB LEU 90 -3.065 13.334 14.811 747 HG LEU 90 HG LEU 90 -5.534 12.801 16.432 748 HD11 LEU 90 1HD1 LEU 90 -4.617 11.117 17.663 749 HD12 LEU 90 2HD1 LEU 90 -2.989 11.787 17.544 750 HD13 LEU 90 3HD1 LEU 90 -3.648 10.831 16.217 751 HD21 LEU 90 3HD2 LEU 90 -4.545 14.889 16.911 752 HD22 LEU 90 1HD2 LEU 90 -2.908 14.252 16.751 753 HD23 LEU 90 2HD2 LEU 90 -3.882 13.836 18.161 754 H ALA 91 H ALA 91 -5.427 15.924 15.352 755 HA ALA 91 HA ALA 91 -4.334 17.700 13.300 756 HB1 ALA 91 1HB ALA 91 -5.000 18.331 16.184 757 HB2 ALA 91 2HB ALA 91 -6.252 18.100 14.964 758 HB3 ALA 91 3HB ALA 91 -5.084 19.410 14.792 759 H TYR 92 H TYR 92 -3.170 19.419 15.556 760 HA TYR 92 HA TYR 92 -0.414 18.459 15.295 761 HB2 TYR 92 2HB TYR 92 -1.815 20.809 16.580 762 HB3 TYR 92 1HB TYR 92 -0.075 20.573 16.737 763 HD1 TYR 92 2HD TYR 92 -2.819 20.878 14.223 764 HD2 TYR 92 1HD TYR 92 1.395 21.202 14.997 765 HE1 TYR 92 2HE TYR 92 -2.482 21.868 11.975 766 HE2 TYR 92 1HE TYR 92 1.732 22.193 12.749 767 HH TYR 92 HH TYR 92 0.708 22.385 10.656 768 HA PRO 93 HA PRO 93 -0.228 16.307 19.126 769 HB2 PRO 93 2HB PRO 93 2.441 16.564 19.670 770 HB3 PRO 93 1HB PRO 93 1.816 15.492 18.402 771 HG2 PRO 93 2HG PRO 93 3.048 18.186 18.165 772 HG3 PRO 93 1HG PRO 93 3.195 16.779 17.101 773 HD2 PRO 93 2HD PRO 93 1.591 18.943 16.583 774 HD3 PRO 93 1HD PRO 93 1.310 17.313 15.931 775 H ILE 94 H ILE 94 0.853 16.706 21.441 776 HA ILE 94 HA ILE 94 0.024 19.422 22.279 777 HB ILE 94 HB ILE 94 0.822 16.866 23.704 778 HG12 ILE 94 2HG1 ILE 94 -1.758 17.566 24.409 779 HG13 ILE 94 1HG1 ILE 94 -1.677 18.062 22.719 780 HG21 ILE 94 1HG2 ILE 94 1.079 18.047 25.601 781 HG22 ILE 94 2HG2 ILE 94 -0.539 18.721 25.406 782 HG23 ILE 94 3HG2 ILE 94 0.850 19.543 24.694 783 HD11 ILE 94 3HD1 ILE 94 -1.521 15.918 21.965 784 HD12 ILE 94 1HD1 ILE 94 -2.217 15.511 23.533 785 HD13 ILE 94 2HD1 ILE 94 -0.471 15.426 23.294 786 H ALA 95 H ALA 95 1.601 20.985 22.208 787 HA ALA 95 HA ALA 95 4.442 20.355 22.210 788 HB1 ALA 95 1HB ALA 95 3.682 22.237 20.963 789 HB2 ALA 95 2HB ALA 95 4.512 22.928 22.357 790 HB3 ALA 95 3HB ALA 95 2.751 22.857 22.327 791 H LYS 96 H LYS 96 5.811 21.844 23.833 792 HA LYS 96 HA LYS 96 5.026 20.982 26.560 793 HB2 LYS 96 2HB LYS 96 7.324 20.766 25.287 794 HB3 LYS 96 1HB LYS 96 7.549 22.436 25.812 795 HG2 LYS 96 2HG LYS 96 7.172 21.766 28.149 796 HG3 LYS 96 1HG LYS 96 6.918 20.097 27.635 797 HD2 LYS 96 2HD LYS 96 9.182 20.129 28.294 798 HD3 LYS 96 1HD LYS 96 9.260 20.297 26.540 799 HE2 LYS 96 2HE LYS 96 10.406 22.230 26.826 800 HE3 LYS 96 1HE LYS 96 8.975 22.924 27.614 801 HZ1 LYS 96 3HZ LYS 96 10.777 21.074 29.051 802 HZ2 LYS 96 1HZ LYS 96 9.661 22.174 29.697 803 HZ3 LYS 96 2HZ LYS 96 11.102 22.740 28.997 Start of MODEL 16 1 H1 MET 1 1HT MET 1 -6.760 5.645 7.377 2 H2 MET 1 2HT MET 1 -6.838 7.111 8.229 3 H3 MET 1 3HT MET 1 -6.165 7.068 6.674 4 HA MET 1 HA MET 1 -8.319 6.516 5.721 5 HB2 MET 1 2HB MET 1 -8.677 5.805 8.478 6 HB3 MET 1 1HB MET 1 -9.923 6.971 8.045 7 HG2 MET 1 2HG MET 1 -9.860 5.304 5.842 8 HG3 MET 1 1HG MET 1 -9.602 4.191 7.186 9 HE1 MET 1 2HE MET 1 -10.997 3.115 8.094 10 HE2 MET 1 3HE MET 1 -12.400 2.971 7.038 11 HE3 MET 1 1HE MET 1 -12.602 3.504 8.711 12 H ASP 2 H ASP 2 -10.446 8.247 6.843 13 HA ASP 2 HA ASP 2 -9.451 10.788 5.890 14 HB2 ASP 2 2HB ASP 2 -11.709 10.184 5.440 15 HB3 ASP 2 1HB ASP 2 -12.017 9.802 7.135 16 HA PRO 3 HA PRO 3 -9.566 11.978 10.448 17 HB2 PRO 3 2HB PRO 3 -9.158 10.003 12.299 18 HB3 PRO 3 1HB PRO 3 -10.768 10.453 11.708 19 HG2 PRO 3 2HG PRO 3 -9.188 8.057 11.155 20 HG3 PRO 3 1HG PRO 3 -10.923 8.333 10.971 21 HD2 PRO 3 2HD PRO 3 -8.900 8.343 8.937 22 HD3 PRO 3 1HD PRO 3 -10.649 8.611 8.752 23 H GLN 4 H GLN 4 -7.425 9.788 8.953 24 HA GLN 4 HA GLN 4 -5.077 11.272 9.589 25 HB2 GLN 4 2HB GLN 4 -4.254 10.261 11.487 26 HB3 GLN 4 1HB GLN 4 -5.959 9.956 11.786 27 HG2 GLN 4 2HG GLN 4 -4.228 7.991 10.277 28 HG3 GLN 4 1HG GLN 4 -4.374 7.956 12.030 29 HE21 GLN 4 1HE2 GLN 4 -5.454 6.161 9.690 30 HE22 GLN 4 2HE2 GLN 4 -7.083 5.939 10.113 31 H GLY 5 H GLY 5 -3.058 9.868 9.008 32 HA2 GLY 5 2HA GLY 5 -3.185 8.900 6.437 33 HA3 GLY 5 1HA GLY 5 -1.986 8.325 7.590 34 H TYR 6 H TYR 6 -3.664 6.934 5.449 35 HA TYR 6 HA TYR 6 -5.081 4.922 7.145 36 HB2 TYR 6 2HB TYR 6 -6.045 6.219 5.067 37 HB3 TYR 6 1HB TYR 6 -5.110 5.052 4.136 38 HD1 TYR 6 2HD TYR 6 -5.492 2.945 6.559 39 HD2 TYR 6 1HD TYR 6 -8.124 5.230 4.047 40 HE1 TYR 6 2HE TYR 6 -7.273 1.251 6.883 41 HE2 TYR 6 1HE TYR 6 -9.904 3.533 4.370 42 HH TYR 6 HH TYR 6 -10.441 1.583 5.274 43 H PHE 7 H PHE 7 -3.605 3.347 7.740 44 HA PHE 7 HA PHE 7 -1.494 2.509 5.888 45 HB2 PHE 7 2HB PHE 7 -1.874 2.703 8.677 46 HB3 PHE 7 1HB PHE 7 -1.713 0.981 8.329 47 HD1 PHE 7 2HD PHE 7 0.187 0.468 6.464 48 HD2 PHE 7 1HD PHE 7 0.097 3.869 9.086 49 HE1 PHE 7 2HE PHE 7 2.634 0.754 6.176 50 HE2 PHE 7 1HE PHE 7 2.544 4.155 8.798 51 HZ PHE 7 HZ PHE 7 3.813 2.597 7.343 52 H LEU 8 H LEU 8 -1.873 0.817 4.482 53 HA LEU 8 HA LEU 8 -3.979 -1.141 5.201 54 HB2 LEU 8 2HB LEU 8 -3.004 -0.047 2.556 55 HB3 LEU 8 1HB LEU 8 -4.129 -1.399 2.681 56 HG LEU 8 HG LEU 8 -5.464 0.574 2.399 57 HD11 LEU 8 1HD1 LEU 8 -5.683 0.451 5.346 58 HD12 LEU 8 2HD1 LEU 8 -5.758 -1.108 4.524 59 HD13 LEU 8 3HD1 LEU 8 -6.909 0.162 4.112 60 HD21 LEU 8 3HD2 LEU 8 -4.939 2.622 3.250 61 HD22 LEU 8 1HD2 LEU 8 -3.344 1.911 3.492 62 HD23 LEU 8 2HD2 LEU 8 -4.499 1.961 4.824 63 H TRP 9 H TRP 9 -3.487 -3.348 4.965 64 HA TRP 9 HA TRP 9 -0.653 -3.999 4.220 65 HB2 TRP 9 2HB TRP 9 -0.848 -4.213 6.578 66 HB3 TRP 9 1HB TRP 9 -2.467 -4.901 6.460 67 HD1 TRP 9 HD TRP 9 0.212 -6.201 4.126 68 HE1 TRP 9 1HE TRP 9 0.825 -8.616 4.796 69 HE3 TRP 9 3HE TRP 9 -2.326 -6.560 8.542 70 HZ2 TRP 9 2HZ TRP 9 0.300 -10.457 6.926 71 HZ3 TRP 9 3HZ TRP 9 -2.253 -8.650 9.870 72 HH2 TRP 9 HH TRP 9 -0.945 -10.598 9.068 73 H TYR 10 H TYR 10 -0.687 -5.219 2.365 74 HA TYR 10 HA TYR 10 -2.944 -7.165 2.008 75 HB2 TYR 10 2HB TYR 10 -1.733 -5.078 0.244 76 HB3 TYR 10 1HB TYR 10 -2.316 -6.560 -0.516 77 HD1 TYR 10 2HD TYR 10 -3.398 -4.059 2.065 78 HD2 TYR 10 1HD TYR 10 -4.554 -6.655 -1.154 79 HE1 TYR 10 2HE TYR 10 -5.729 -3.231 2.234 80 HE2 TYR 10 1HE TYR 10 -6.884 -5.827 -0.985 81 HH TYR 10 HH TYR 10 -7.772 -3.110 0.410 82 H GLN 11 H GLN 11 -2.261 -9.240 1.646 83 HA GLN 11 HA GLN 11 0.610 -9.719 1.153 84 HB2 GLN 11 2HB GLN 11 -0.923 -10.680 3.080 85 HB3 GLN 11 1HB GLN 11 -1.413 -11.825 1.833 86 HG2 GLN 11 2HG GLN 11 0.555 -12.936 1.936 87 HG3 GLN 11 1HG GLN 11 1.487 -11.439 1.929 88 HE21 GLN 11 1HE2 GLN 11 2.639 -13.050 3.644 89 HE22 GLN 11 2HE2 GLN 11 2.166 -12.799 5.255 90 H VAL 12 H VAL 12 1.144 -11.427 -0.484 91 HA VAL 12 HA VAL 12 -1.003 -11.767 -2.546 92 HB VAL 12 HB VAL 12 0.573 -11.262 -4.270 93 HG11 VAL 12 1HG1 VAL 12 -0.300 -9.313 -2.965 94 HG12 VAL 12 2HG1 VAL 12 1.243 -9.005 -3.769 95 HG13 VAL 12 3HG1 VAL 12 1.198 -9.329 -2.035 96 HG21 VAL 12 3HG2 VAL 12 2.818 -10.891 -2.309 97 HG22 VAL 12 1HG2 VAL 12 2.893 -11.204 -4.041 98 HG23 VAL 12 2HG2 VAL 12 2.463 -12.501 -2.931 99 H GLU 13 H GLU 13 0.073 -13.414 -4.267 100 HA GLU 13 HA GLU 13 1.406 -15.646 -2.812 101 HB2 GLU 13 2HB GLU 13 -0.348 -17.101 -4.059 102 HB3 GLU 13 1HB GLU 13 -0.872 -16.243 -2.613 103 HG2 GLU 13 2HG GLU 13 -2.191 -14.785 -3.794 104 HG3 GLU 13 1HG GLU 13 -1.102 -14.761 -5.181 105 H MET 14 H MET 14 2.830 -14.099 -4.543 106 HA MET 14 HA MET 14 2.851 -15.676 -7.101 107 HB2 MET 14 2HB MET 14 2.884 -12.807 -6.439 108 HB3 MET 14 1HB MET 14 4.120 -13.271 -7.607 109 HG2 MET 14 2HG MET 14 1.900 -12.631 -8.631 110 HG3 MET 14 1HG MET 14 2.479 -14.235 -9.081 111 HE1 MET 14 3HE MET 14 -0.500 -15.282 -9.517 112 HE2 MET 14 1HE MET 14 0.142 -16.548 -8.463 113 HE3 MET 14 2HE MET 14 1.223 -15.647 -9.522 114 HA PRO 15 HA PRO 15 6.969 -16.880 -6.123 115 HB2 PRO 15 2HB PRO 15 7.991 -17.058 -8.658 116 HB3 PRO 15 1HB PRO 15 6.926 -18.255 -7.954 117 HG2 PRO 15 2HG PRO 15 6.314 -16.066 -9.855 118 HG3 PRO 15 1HG PRO 15 5.672 -17.715 -9.807 119 HD2 PRO 15 2HD PRO 15 4.275 -15.567 -8.920 120 HD3 PRO 15 1HD PRO 15 4.084 -17.195 -8.230 121 H GLU 16 H GLU 16 9.220 -16.419 -7.507 122 HA GLU 16 HA GLU 16 10.232 -13.936 -6.701 123 HB2 GLU 16 2HB GLU 16 11.317 -16.069 -7.725 124 HB3 GLU 16 1HB GLU 16 10.972 -15.319 -9.281 125 HG2 GLU 16 2HG GLU 16 12.873 -14.132 -9.069 126 HG3 GLU 16 1HG GLU 16 12.141 -13.297 -7.698 127 H ASP 17 H ASP 17 8.252 -14.879 -9.395 128 HA ASP 17 HA ASP 17 8.570 -12.694 -11.165 129 HB2 ASP 17 2HB ASP 17 7.315 -14.849 -11.499 130 HB3 ASP 17 1HB ASP 17 6.038 -14.208 -10.465 131 H ARG 18 H ARG 18 7.238 -12.781 -7.998 132 HA ARG 18 HA ARG 18 5.332 -10.611 -8.205 133 HB2 ARG 18 2HB ARG 18 5.481 -10.723 -5.732 134 HB3 ARG 18 1HB ARG 18 5.356 -12.338 -6.434 135 HG2 ARG 18 2HG ARG 18 7.146 -12.700 -5.024 136 HG3 ARG 18 1HG ARG 18 8.024 -12.127 -6.440 137 HD2 ARG 18 2HD ARG 18 8.188 -9.889 -5.527 138 HD3 ARG 18 1HD ARG 18 7.106 -10.309 -4.186 139 HE ARG 18 HE ARG 18 9.907 -11.206 -4.486 140 HH11 ARG 18 1HH1 ARG 18 8.181 -13.525 -3.660 141 HH12 ARG 18 2HH1 ARG 18 8.224 -13.405 -1.933 142 HH21 ARG 18 1HH2 ARG 18 9.393 -10.139 -1.926 143 HH22 ARG 18 2HH2 ARG 18 8.909 -11.486 -0.950 144 H VAL 19 H VAL 19 8.779 -10.734 -8.063 145 HA VAL 19 HA VAL 19 9.328 -8.251 -6.732 146 HB VAL 19 HB VAL 19 10.801 -9.819 -8.878 147 HG11 VAL 19 1HG1 VAL 19 11.367 -7.259 -8.244 148 HG12 VAL 19 2HG1 VAL 19 12.619 -8.440 -8.630 149 HG13 VAL 19 3HG1 VAL 19 12.242 -8.072 -6.946 150 HG21 VAL 19 3HG2 VAL 19 10.534 -11.198 -6.958 151 HG22 VAL 19 1HG2 VAL 19 10.812 -9.851 -5.855 152 HG23 VAL 19 2HG2 VAL 19 12.150 -10.508 -6.798 153 H ASN 20 H ASN 20 9.030 -9.055 -10.197 154 HA ASN 20 HA ASN 20 9.369 -6.368 -11.147 155 HB2 ASN 20 2HB ASN 20 7.737 -8.579 -12.421 156 HB3 ASN 20 1HB ASN 20 8.677 -7.323 -13.228 157 HD21 ASN 20 1HD2 ASN 20 8.791 -10.564 -12.284 158 HD22 ASN 20 2HD2 ASN 20 10.474 -10.781 -12.324 159 H ASP 21 H ASP 21 6.608 -8.185 -9.925 160 HA ASP 21 HA ASP 21 4.526 -6.466 -10.832 161 HB2 ASP 21 2HB ASP 21 4.346 -8.804 -9.918 162 HB3 ASP 21 1HB ASP 21 4.701 -8.155 -8.320 163 H LEU 22 H LEU 22 6.129 -6.696 -7.634 164 HA LEU 22 HA LEU 22 4.928 -4.377 -6.485 165 HB2 LEU 22 2HB LEU 22 7.419 -6.008 -6.102 166 HB3 LEU 22 1HB LEU 22 7.252 -4.500 -5.200 167 HG LEU 22 HG LEU 22 6.362 -6.578 -4.025 168 HD11 LEU 22 1HD1 LEU 22 4.644 -5.349 -3.008 169 HD12 LEU 22 2HD1 LEU 22 4.158 -4.593 -4.527 170 HD13 LEU 22 3HD1 LEU 22 5.644 -4.085 -3.725 171 HD21 LEU 22 3HD2 LEU 22 5.326 -7.724 -5.885 172 HD22 LEU 22 1HD2 LEU 22 4.333 -6.318 -6.265 173 HD23 LEU 22 2HD2 LEU 22 4.037 -7.227 -4.789 174 H ALA 23 H ALA 23 7.797 -4.788 -8.500 175 HA ALA 23 HA ALA 23 8.926 -2.216 -8.329 176 HB1 ALA 23 1HB ALA 23 8.780 -3.701 -10.930 177 HB2 ALA 23 2HB ALA 23 9.567 -4.480 -9.558 178 HB3 ALA 23 3HB ALA 23 10.173 -2.938 -10.163 179 H ARG 24 H ARG 24 6.550 -3.452 -10.711 180 HA ARG 24 HA ARG 24 6.078 -0.953 -11.996 181 HB2 ARG 24 2HB ARG 24 4.776 -3.633 -11.757 182 HB3 ARG 24 1HB ARG 24 3.827 -2.324 -12.462 183 HG2 ARG 24 2HG ARG 24 6.451 -2.221 -13.592 184 HG3 ARG 24 1HG ARG 24 5.870 -3.883 -13.706 185 HD2 ARG 24 2HD ARG 24 4.673 -3.218 -15.517 186 HD3 ARG 24 1HD ARG 24 3.648 -2.299 -14.396 187 HE ARG 24 HE ARG 24 6.007 -0.782 -14.835 188 HH11 ARG 24 1HH1 ARG 24 5.140 -2.055 -17.578 189 HH12 ARG 24 2HH1 ARG 24 4.280 -0.712 -18.253 190 HH21 ARG 24 1HH2 ARG 24 4.081 1.013 -15.251 191 HH22 ARG 24 2HH2 ARG 24 3.679 1.025 -16.936 192 H GLU 25 H GLU 25 4.304 -2.668 -9.418 193 HA GLU 25 HA GLU 25 2.278 -0.719 -9.008 194 HB2 GLU 25 2HB GLU 25 2.509 -3.169 -8.232 195 HB3 GLU 25 1HB GLU 25 3.479 -2.525 -6.908 196 HG2 GLU 25 2HG GLU 25 0.875 -1.180 -7.415 197 HG3 GLU 25 1HG GLU 25 0.803 -2.806 -6.737 198 H LEU 26 H LEU 26 5.436 -1.218 -7.434 199 HA LEU 26 HA LEU 26 5.305 0.784 -5.450 200 HB2 LEU 26 2HB LEU 26 7.471 -0.473 -7.122 201 HB3 LEU 26 1HB LEU 26 7.880 0.805 -5.978 202 HG LEU 26 HG LEU 26 6.223 -1.576 -5.147 203 HD11 LEU 26 1HD1 LEU 26 8.422 -2.323 -6.117 204 HD12 LEU 26 2HD1 LEU 26 8.245 -2.683 -4.400 205 HD13 LEU 26 3HD1 LEU 26 9.235 -1.318 -4.918 206 HD21 LEU 26 3HD2 LEU 26 7.567 0.743 -3.863 207 HD22 LEU 26 1HD2 LEU 26 7.680 -0.791 -3.001 208 HD23 LEU 26 2HD2 LEU 26 6.100 -0.112 -3.386 209 H ARG 27 H ARG 27 6.210 1.056 -8.893 210 HA ARG 27 HA ARG 27 6.904 3.860 -8.759 211 HB2 ARG 27 2HB ARG 27 7.271 1.770 -10.446 212 HB3 ARG 27 1HB ARG 27 5.943 2.587 -11.263 213 HG2 ARG 27 2HG ARG 27 8.317 4.155 -10.297 214 HG3 ARG 27 1HG ARG 27 8.398 3.285 -11.828 215 HD2 ARG 27 2HD ARG 27 6.802 4.646 -12.842 216 HD3 ARG 27 1HD ARG 27 6.028 5.056 -11.298 217 HE ARG 27 HE ARG 27 8.605 6.061 -11.049 218 HH11 ARG 27 1HH2 ARG 27 5.635 6.803 -12.503 219 HH12 ARG 27 2HH2 ARG 27 6.199 8.235 -13.297 220 HH21 ARG 27 1HH1 ARG 27 9.515 7.740 -12.406 221 HH22 ARG 27 2HH1 ARG 27 8.399 8.767 -13.242 222 H ILE 28 H ILE 28 3.952 2.049 -9.586 223 HA ILE 28 HA ILE 28 2.383 4.164 -10.603 224 HB ILE 28 HB ILE 28 1.994 1.494 -9.333 225 HG12 ILE 28 2HG1 ILE 28 0.636 2.504 -11.806 226 HG13 ILE 28 1HG1 ILE 28 2.372 2.201 -11.854 227 HG21 ILE 28 1HG2 ILE 28 -0.313 3.387 -9.879 228 HG22 ILE 28 2HG2 ILE 28 0.213 2.856 -8.281 229 HG23 ILE 28 3HG2 ILE 28 -0.453 1.690 -9.421 230 HD11 ILE 28 3HD1 ILE 28 0.748 0.250 -12.460 231 HD12 ILE 28 1HD1 ILE 28 0.504 0.134 -10.717 232 HD13 ILE 28 2HD1 ILE 28 2.115 -0.087 -11.398 233 H ARG 29 H ARG 29 2.738 2.998 -7.242 234 HA ARG 29 HA ARG 29 0.868 4.866 -6.086 235 HB2 ARG 29 2HB ARG 29 2.062 4.111 -3.987 236 HB3 ARG 29 1HB ARG 29 1.512 2.786 -5.013 237 HG2 ARG 29 2HG ARG 29 3.662 2.291 -5.767 238 HG3 ARG 29 1HG ARG 29 4.262 3.912 -5.423 239 HD2 ARG 29 2HD ARG 29 3.736 3.266 -2.918 240 HD3 ARG 29 1HD ARG 29 3.867 1.609 -3.537 241 HE ARG 29 HE ARG 29 6.172 1.990 -3.965 242 HH11 ARG 29 1HH1 ARG 29 5.493 4.138 -1.710 243 HH12 ARG 29 2HH1 ARG 29 6.468 5.443 -2.293 244 HH21 ARG 29 1HH2 ARG 29 6.995 4.020 -5.407 245 HH22 ARG 29 2HH2 ARG 29 7.315 5.380 -4.382 246 H ASP 30 H ASP 30 2.070 6.661 -7.581 247 HA ASP 30 HA ASP 30 4.521 7.798 -6.512 248 HB2 ASP 30 2HB ASP 30 2.423 8.449 -8.539 249 HB3 ASP 30 1HB ASP 30 3.473 9.761 -8.001 250 H ASN 31 H ASN 31 1.054 8.557 -6.156 251 HA ASN 31 HA ASN 31 1.330 10.990 -4.693 252 HB2 ASN 31 2HB ASN 31 -0.753 10.327 -5.696 253 HB3 ASN 31 1HB ASN 31 -0.778 8.820 -4.782 254 HD21 ASN 31 1HD2 ASN 31 -1.736 8.865 -2.712 255 HD22 ASN 31 2HD2 ASN 31 -2.274 10.281 -1.948 256 H VAL 32 H VAL 32 1.989 7.740 -3.715 257 HA VAL 32 HA VAL 32 1.437 8.145 -0.875 258 HB VAL 32 HB VAL 32 1.390 5.980 -2.227 259 HG11 VAL 32 1HG1 VAL 32 3.321 5.087 -3.063 260 HG12 VAL 32 2HG1 VAL 32 4.268 5.602 -1.669 261 HG13 VAL 32 3HG1 VAL 32 3.920 6.742 -2.969 262 HG21 VAL 32 3HG2 VAL 32 2.155 6.557 0.441 263 HG22 VAL 32 1HG2 VAL 32 3.165 5.218 -0.099 264 HG23 VAL 32 2HG2 VAL 32 1.408 5.083 -0.166 265 H ARG 33 H ARG 33 3.015 8.338 0.783 266 HA ARG 33 HA ARG 33 5.401 9.873 0.068 267 HB2 ARG 33 2HB ARG 33 3.756 9.198 2.399 268 HB3 ARG 33 1HB ARG 33 5.478 9.273 2.774 269 HG2 ARG 33 2HG ARG 33 4.539 11.456 1.035 270 HG3 ARG 33 1HG ARG 33 3.814 11.457 2.644 271 HD2 ARG 33 2HD ARG 33 6.804 11.210 2.189 272 HD3 ARG 33 1HD ARG 33 5.987 12.755 2.498 273 HE ARG 33 HE ARG 33 5.255 10.689 4.420 274 HH11 ARG 33 1HH2 ARG 33 6.111 13.821 4.303 275 HH12 ARG 33 2HH2 ARG 33 7.277 13.789 5.582 276 HH21 ARG 33 1HH1 ARG 33 7.379 10.327 5.759 277 HH22 ARG 33 2HH1 ARG 33 7.995 11.810 6.408 278 H ARG 34 H ARG 34 4.800 6.664 1.600 279 HA ARG 34 HA ARG 34 7.463 5.772 0.623 280 HB2 ARG 34 2HB ARG 34 7.791 6.907 2.805 281 HB3 ARG 34 1HB ARG 34 6.629 5.804 3.540 282 HG2 ARG 34 2HG ARG 34 8.272 4.306 3.871 283 HG3 ARG 34 1HG ARG 34 8.541 4.225 2.131 284 HD2 ARG 34 2HD ARG 34 10.557 5.195 2.474 285 HD3 ARG 34 1HD ARG 34 9.702 6.665 2.984 286 HE ARG 34 HE ARG 34 9.566 4.994 5.200 287 HH11 ARG 34 1HH1 ARG 34 11.253 7.596 4.707 288 HH12 ARG 34 2HH1 ARG 34 12.792 7.052 5.286 289 HH21 ARG 34 1HH2 ARG 34 11.902 3.701 5.297 290 HH22 ARG 34 2HH2 ARG 34 13.160 4.847 5.620 291 H VAL 35 H VAL 35 7.702 3.443 0.705 292 HA VAL 35 HA VAL 35 5.264 1.877 1.433 293 HB VAL 35 HB VAL 35 5.304 2.454 -0.995 294 HG11 VAL 35 1HG1 VAL 35 7.641 0.666 -1.435 295 HG12 VAL 35 2HG1 VAL 35 7.989 2.276 -0.804 296 HG13 VAL 35 3HG1 VAL 35 7.134 2.096 -2.334 297 HG21 VAL 35 3HG2 VAL 35 4.272 0.461 -1.200 298 HG22 VAL 35 1HG2 VAL 35 5.176 -0.174 0.176 299 HG23 VAL 35 2HG2 VAL 35 5.847 -0.294 -1.450 300 H MET 36 H MET 36 5.792 -0.045 2.460 301 HA MET 36 HA MET 36 8.634 -0.892 2.423 302 HB2 MET 36 2HB MET 36 6.805 -0.147 4.561 303 HB3 MET 36 1HB MET 36 7.486 -1.754 4.818 304 HG2 MET 36 2HG MET 36 9.589 -0.053 3.902 305 HG3 MET 36 1HG MET 36 8.749 0.782 5.210 306 HE1 MET 36 3HE MET 36 12.133 -1.369 6.197 307 HE2 MET 36 1HE MET 36 11.596 0.252 5.742 308 HE3 MET 36 2HE MET 36 11.660 -1.030 4.535 309 H VAL 37 H VAL 37 8.785 -2.865 1.426 310 HA VAL 37 HA VAL 37 6.456 -4.742 1.654 311 HB VAL 37 HB VAL 37 8.645 -4.597 -0.440 312 HG11 VAL 37 1HG1 VAL 37 5.929 -5.781 -0.861 313 HG12 VAL 37 2HG1 VAL 37 7.112 -6.712 0.057 314 HG13 VAL 37 3HG1 VAL 37 7.469 -6.221 -1.600 315 HG21 VAL 37 3HG2 VAL 37 7.184 -3.305 -1.794 316 HG22 VAL 37 1HG2 VAL 37 7.090 -2.549 -0.203 317 HG23 VAL 37 2HG2 VAL 37 5.802 -3.623 -0.746 318 H VAL 38 H VAL 38 6.841 -6.684 2.659 319 HA VAL 38 HA VAL 38 9.696 -7.427 3.207 320 HB VAL 38 HB VAL 38 8.557 -8.604 5.206 321 HG11 VAL 38 1HG1 VAL 38 8.199 -6.268 6.336 322 HG12 VAL 38 2HG1 VAL 38 8.782 -5.632 4.797 323 HG13 VAL 38 3HG1 VAL 38 9.808 -6.700 5.755 324 HG21 VAL 38 3HG2 VAL 38 6.261 -8.008 3.881 325 HG22 VAL 38 1HG2 VAL 38 6.361 -6.622 4.966 326 HG23 VAL 38 2HG2 VAL 38 6.334 -8.258 5.625 327 H ALA 39 H ALA 39 10.323 -9.349 2.306 328 HA ALA 39 HA ALA 39 8.406 -11.011 0.850 329 HB1 ALA 39 1HB ALA 39 10.598 -10.602 -0.061 330 HB2 ALA 39 2HB ALA 39 10.529 -12.308 0.385 331 HB3 ALA 39 3HB ALA 39 11.374 -11.159 1.423 332 H SER 40 H SER 40 7.992 -13.265 1.295 333 HA SER 40 HA SER 40 7.736 -13.894 4.125 334 HB2 SER 40 2HB SER 40 6.915 -14.913 1.501 335 HB3 SER 40 1HB SER 40 7.263 -16.201 2.651 336 HG SER 40 HG SER 40 5.679 -13.948 3.304 337 H THR 41 H THR 41 8.477 -16.313 4.710 338 HA THR 41 HA THR 41 11.416 -16.408 4.187 339 HB THR 41 HB THR 41 11.391 -17.768 6.272 340 HG1 THR 41 1HG THR 41 9.214 -18.563 5.820 341 HG21 THR 41 3HG2 THR 41 10.630 -15.963 7.787 342 HG22 THR 41 1HG2 THR 41 9.822 -15.180 6.429 343 HG23 THR 41 2HG2 THR 41 11.580 -15.328 6.443 344 H THR 42 H THR 42 8.882 -17.651 2.672 345 HA THR 42 HA THR 42 10.295 -20.107 1.907 346 HB THR 42 HB THR 42 7.893 -19.986 3.684 347 HG1 THR 42 1HG THR 42 9.100 -21.295 4.802 348 HG21 THR 42 3HG2 THR 42 8.387 -22.240 1.718 349 HG22 THR 42 1HG2 THR 42 7.053 -21.091 1.626 350 HG23 THR 42 2HG2 THR 42 7.156 -22.215 2.980 351 HA PRO 43 HA PRO 43 6.486 -19.619 -0.925 352 HB2 PRO 43 2HB PRO 43 4.565 -17.789 -0.243 353 HB3 PRO 43 1HB PRO 43 4.529 -19.479 0.299 354 HG2 PRO 43 2HG PRO 43 5.422 -17.042 1.762 355 HG3 PRO 43 1HG PRO 43 4.493 -18.432 2.346 356 HD2 PRO 43 2HD PRO 43 7.138 -18.123 2.834 357 HD3 PRO 43 1HD PRO 43 6.365 -19.713 2.679 358 H GLY 44 H GLY 44 5.397 -17.493 -2.185 359 HA2 GLY 44 2HA GLY 44 7.645 -15.595 -2.429 360 HA3 GLY 44 1HA GLY 44 6.571 -16.019 -3.756 361 H ARG 45 H ARG 45 5.198 -15.581 -0.619 362 HA ARG 45 HA ARG 45 3.734 -13.197 -1.598 363 HB2 ARG 45 2HB ARG 45 2.385 -13.681 0.473 364 HB3 ARG 45 1HB ARG 45 2.464 -15.025 -0.661 365 HG2 ARG 45 2HG ARG 45 4.056 -16.189 0.648 366 HG3 ARG 45 1HG ARG 45 4.447 -14.741 1.577 367 HD2 ARG 45 2HD ARG 45 2.991 -16.439 2.778 368 HD3 ARG 45 1HD ARG 45 2.303 -14.807 2.688 369 HE ARG 45 HE ARG 45 1.566 -16.373 0.372 370 HH11 ARG 45 1HH1 ARG 45 0.525 -14.928 3.241 371 HH12 ARG 45 2HH1 ARG 45 -0.953 -15.824 3.350 372 HH21 ARG 45 1HH2 ARG 45 -0.184 -17.931 0.706 373 HH22 ARG 45 2HH2 ARG 45 -1.354 -17.524 1.916 374 H TYR 46 H TYR 46 3.443 -11.416 -0.110 375 HA TYR 46 HA TYR 46 5.451 -11.036 2.026 376 HB2 TYR 46 2HB TYR 46 6.008 -8.777 0.783 377 HB3 TYR 46 1HB TYR 46 6.816 -10.261 0.311 378 HD1 TYR 46 1HD TYR 46 6.094 -11.504 -1.709 379 HD2 TYR 46 2HD TYR 46 4.409 -7.709 -0.635 380 HE1 TYR 46 1HE TYR 46 5.138 -11.290 -3.981 381 HE2 TYR 46 2HE TYR 46 3.458 -7.486 -2.897 382 HH TYR 46 HH TYR 46 2.906 -8.721 -4.798 383 H GLU 47 H GLU 47 4.973 -9.221 3.329 384 HA GLU 47 HA GLU 47 2.119 -8.446 3.298 385 HB2 GLU 47 2HB GLU 47 2.770 -9.149 5.420 386 HB3 GLU 47 1HB GLU 47 4.405 -8.521 5.236 387 HG2 GLU 47 2HG GLU 47 3.828 -6.428 5.947 388 HG3 GLU 47 1HG GLU 47 2.229 -6.504 5.210 389 H VAL 48 H VAL 48 1.996 -6.823 1.704 390 HA VAL 48 HA VAL 48 3.931 -4.648 1.534 391 HB VAL 48 HB VAL 48 1.215 -5.267 0.350 392 HG11 VAL 48 1HG1 VAL 48 3.010 -2.940 -0.390 393 HG12 VAL 48 2HG1 VAL 48 1.580 -2.784 0.629 394 HG13 VAL 48 3HG1 VAL 48 1.415 -3.308 -1.046 395 HG21 VAL 48 3HG2 VAL 48 2.571 -6.517 -0.968 396 HG22 VAL 48 1HG2 VAL 48 4.025 -5.735 -0.349 397 HG23 VAL 48 2HG2 VAL 48 3.109 -4.986 -1.656 398 H ASN 49 H ASN 49 3.950 -2.974 2.980 399 HA ASN 49 HA ASN 49 1.364 -2.009 4.098 400 HB2 ASN 49 2HB ASN 49 2.874 -1.523 6.157 401 HB3 ASN 49 1HB ASN 49 2.405 -3.200 5.877 402 HD21 ASN 49 1HD2 ASN 49 4.064 -4.704 5.267 403 HD22 ASN 49 2HD2 ASN 49 5.708 -4.286 5.218 404 H ILE 50 H ILE 50 1.245 -0.219 2.808 405 HA ILE 50 HA ILE 50 3.554 1.692 2.845 406 HB ILE 50 HB ILE 50 2.999 0.605 0.665 407 HG12 ILE 50 2HG1 ILE 50 2.738 3.560 1.142 408 HG13 ILE 50 1HG1 ILE 50 4.039 2.676 0.353 409 HG21 ILE 50 1HG2 ILE 50 0.552 0.382 1.160 410 HG22 ILE 50 2HG2 ILE 50 0.869 1.122 -0.409 411 HG23 ILE 50 3HG2 ILE 50 0.388 2.126 0.959 412 HD11 ILE 50 3HD1 ILE 50 1.313 3.332 -0.750 413 HD12 ILE 50 1HD1 ILE 50 2.374 2.139 -1.499 414 HD13 ILE 50 2HD1 ILE 50 2.884 3.824 -1.381 415 H VAL 51 H VAL 51 3.055 3.892 3.193 416 HA VAL 51 HA VAL 51 0.226 4.492 4.006 417 HB VAL 51 HB VAL 51 1.773 4.182 5.919 418 HG11 VAL 51 1HG1 VAL 51 3.295 6.636 5.400 419 HG12 VAL 51 2HG1 VAL 51 3.631 5.357 4.233 420 HG13 VAL 51 3HG1 VAL 51 3.861 5.060 5.956 421 HG21 VAL 51 3HG2 VAL 51 0.954 7.058 5.395 422 HG22 VAL 51 1HG2 VAL 51 1.386 6.405 6.976 423 HG23 VAL 51 2HG2 VAL 51 -0.048 5.810 6.138 424 H LEU 52 H LEU 52 -0.517 6.620 3.457 425 HA LEU 52 HA LEU 52 1.281 8.091 1.549 426 HB2 LEU 52 2HB LEU 52 -1.734 8.075 1.807 427 HB3 LEU 52 1HB LEU 52 -0.808 8.838 0.522 428 HG LEU 52 HG LEU 52 0.133 6.226 0.555 429 HD11 LEU 52 1HD1 LEU 52 -2.884 6.123 0.679 430 HD12 LEU 52 2HD1 LEU 52 -1.870 5.775 2.078 431 HD13 LEU 52 3HD1 LEU 52 -1.754 4.770 0.635 432 HD21 LEU 52 3HD2 LEU 52 -0.310 7.587 -1.438 433 HD22 LEU 52 1HD2 LEU 52 -2.045 7.494 -1.136 434 HD23 LEU 52 2HD2 LEU 52 -1.148 6.041 -1.574 435 H ASN 53 H ASN 53 -0.290 10.440 1.522 436 HA ASN 53 HA ASN 53 0.826 12.189 3.287 437 HB2 ASN 53 2HB ASN 53 -2.120 12.112 2.555 438 HB3 ASN 53 1HB ASN 53 -1.191 13.548 2.984 439 HD21 ASN 53 1HD2 ASN 53 -1.920 11.311 0.393 440 HD22 ASN 53 2HD2 ASN 53 -0.964 12.064 -0.789 441 HA PRO 54 HA PRO 54 -0.292 11.313 7.422 442 HB2 PRO 54 2HB PRO 54 -0.747 13.829 8.426 443 HB3 PRO 54 1HB PRO 54 0.872 13.188 8.078 444 HG2 PRO 54 2HG PRO 54 -0.846 14.983 6.419 445 HG3 PRO 54 1HG PRO 54 0.892 15.087 6.759 446 HD2 PRO 54 2HD PRO 54 -0.028 14.100 4.437 447 HD3 PRO 54 1HD PRO 54 1.428 13.440 5.220 448 H ASN 55 H ASN 55 -2.532 13.078 5.414 449 HA ASN 55 HA ASN 55 -4.767 12.184 7.211 450 HB2 ASN 55 2HB ASN 55 -4.268 14.645 7.248 451 HB3 ASN 55 1HB ASN 55 -4.597 14.695 5.515 452 HD21 ASN 55 1HD2 ASN 55 -6.069 15.518 8.289 453 HD22 ASN 55 2HD2 ASN 55 -7.683 15.144 7.920 454 H LEU 56 H LEU 56 -4.666 10.244 5.685 455 HA LEU 56 HA LEU 56 -5.247 10.593 2.870 456 HB2 LEU 56 2HB LEU 56 -5.500 8.280 4.804 457 HB3 LEU 56 1HB LEU 56 -5.657 8.129 3.055 458 HG LEU 56 HG LEU 56 -3.226 8.704 4.696 459 HD11 LEU 56 1HD1 LEU 56 -2.361 6.917 3.512 460 HD12 LEU 56 2HD1 LEU 56 -3.386 7.221 2.109 461 HD13 LEU 56 3HD1 LEU 56 -4.071 6.499 3.563 462 HD21 LEU 56 3HD2 LEU 56 -3.438 10.631 3.105 463 HD22 LEU 56 1HD2 LEU 56 -3.514 9.475 1.773 464 HD23 LEU 56 2HD2 LEU 56 -2.054 9.604 2.753 465 H ASP 57 H ASP 57 -7.175 9.035 2.148 466 HA ASP 57 HA ASP 57 -9.684 9.277 3.569 467 HB2 ASP 57 2HB ASP 57 -10.514 10.746 1.537 468 HB3 ASP 57 1HB ASP 57 -9.748 11.517 2.917 469 H GLN 58 H GLN 58 -11.484 8.486 1.992 470 HA GLN 58 HA GLN 58 -10.672 6.069 0.750 471 HB2 GLN 58 2HB GLN 58 -13.138 7.806 0.640 472 HB3 GLN 58 1HB GLN 58 -13.053 6.264 -0.212 473 HG2 GLN 58 2HG GLN 58 -13.348 5.096 1.693 474 HG3 GLN 58 1HG GLN 58 -12.102 6.023 2.530 475 HE21 GLN 58 1HE2 GLN 58 -13.714 5.920 4.409 476 HE22 GLN 58 2HE2 GLN 58 -14.951 7.081 4.460 477 H SER 59 H SER 59 -11.121 9.322 -0.561 478 HA SER 59 HA SER 59 -11.071 8.578 -3.325 479 HB2 SER 59 2HB SER 59 -11.568 10.777 -3.482 480 HB3 SER 59 1HB SER 59 -11.436 10.858 -1.728 481 HG SER 59 HG SER 59 -9.622 11.891 -1.956 482 H GLN 60 H GLN 60 -8.552 9.540 -1.013 483 HA GLN 60 HA GLN 60 -6.409 9.698 -2.931 484 HB2 GLN 60 2HB GLN 60 -6.676 9.386 0.056 485 HB3 GLN 60 1HB GLN 60 -5.088 9.378 -0.708 486 HG2 GLN 60 2HG GLN 60 -6.951 11.552 -1.519 487 HG3 GLN 60 1HG GLN 60 -6.272 11.650 0.105 488 HE21 GLN 60 1HE2 GLN 60 -4.381 12.848 0.137 489 HE22 GLN 60 2HE2 GLN 60 -3.236 12.904 -1.115 490 H LEU 61 H LEU 61 -7.501 7.066 -0.750 491 HA LEU 61 HA LEU 61 -5.438 5.210 -1.502 492 HB2 LEU 61 2HB LEU 61 -8.275 4.823 -0.501 493 HB3 LEU 61 1HB LEU 61 -7.060 3.545 -0.584 494 HG LEU 61 HG LEU 61 -6.992 6.057 1.108 495 HD11 LEU 61 1HD1 LEU 61 -7.165 3.093 1.597 496 HD12 LEU 61 2HD1 LEU 61 -8.133 4.392 2.296 497 HD13 LEU 61 3HD1 LEU 61 -6.469 4.149 2.828 498 HD21 LEU 61 3HD2 LEU 61 -4.732 4.817 1.820 499 HD22 LEU 61 1HD2 LEU 61 -4.759 5.985 0.498 500 HD23 LEU 61 2HD2 LEU 61 -4.803 4.257 0.149 501 H ALA 62 H ALA 62 -8.619 5.970 -2.853 502 HA ALA 62 HA ALA 62 -8.994 3.811 -4.586 503 HB1 ALA 62 1HB ALA 62 -10.712 5.143 -5.268 504 HB2 ALA 62 2HB ALA 62 -9.610 6.434 -5.748 505 HB3 ALA 62 3HB ALA 62 -10.129 6.296 -4.068 506 H LEU 63 H LEU 63 -6.878 6.615 -4.848 507 HA LEU 63 HA LEU 63 -6.115 6.248 -7.571 508 HB2 LEU 63 2HB LEU 63 -4.984 7.561 -5.110 509 HB3 LEU 63 1HB LEU 63 -4.051 7.538 -6.600 510 HG LEU 63 HG LEU 63 -6.869 8.607 -6.351 511 HD11 LEU 63 1HD1 LEU 63 -5.113 10.664 -7.057 512 HD12 LEU 63 2HD1 LEU 63 -4.252 9.775 -5.799 513 HD13 LEU 63 3HD1 LEU 63 -5.858 10.430 -5.475 514 HD21 LEU 63 3HD2 LEU 63 -6.455 7.820 -8.589 515 HD22 LEU 63 1HD2 LEU 63 -4.840 8.531 -8.601 516 HD23 LEU 63 2HD2 LEU 63 -6.262 9.573 -8.623 517 H GLU 64 H GLU 64 -4.532 5.257 -4.522 518 HA GLU 64 HA GLU 64 -2.538 3.688 -5.946 519 HB2 GLU 64 2HB GLU 64 -1.720 3.236 -3.762 520 HB3 GLU 64 1HB GLU 64 -2.454 4.831 -3.609 521 HG2 GLU 64 2HG GLU 64 -4.479 3.868 -2.669 522 HG3 GLU 64 1HG GLU 64 -3.874 2.234 -2.949 523 H LYS 65 H LYS 65 -5.559 2.972 -4.193 524 HA LYS 65 HA LYS 65 -5.346 0.116 -4.447 525 HB2 LYS 65 2HB LYS 65 -7.274 2.149 -3.585 526 HB3 LYS 65 1HB LYS 65 -8.044 0.730 -4.288 527 HG2 LYS 65 2HG LYS 65 -7.794 0.259 -1.956 528 HG3 LYS 65 1HG LYS 65 -6.547 -0.677 -2.782 529 HD2 LYS 65 2HD LYS 65 -4.828 0.735 -2.074 530 HD3 LYS 65 1HD LYS 65 -5.919 2.097 -1.813 531 HE2 LYS 65 2HE LYS 65 -5.385 1.324 0.384 532 HE3 LYS 65 1HE LYS 65 -6.982 0.626 0.050 533 HZ1 LYS 65 3HZ LYS 65 -4.894 -0.852 0.767 534 HZ2 LYS 65 1HZ LYS 65 -4.685 -0.877 -0.915 535 HZ3 LYS 65 2HZ LYS 65 -6.137 -1.435 -0.232 536 H GLU 66 H GLU 66 -6.720 2.600 -6.647 537 HA GLU 66 HA GLU 66 -8.064 0.662 -8.289 538 HB2 GLU 66 2HB GLU 66 -8.376 2.516 -9.789 539 HB3 GLU 66 1HB GLU 66 -8.467 3.162 -8.152 540 HG2 GLU 66 2HG GLU 66 -6.052 3.759 -8.314 541 HG3 GLU 66 1HG GLU 66 -6.068 3.244 -9.998 542 H ILE 67 H ILE 67 -4.869 2.281 -8.575 543 HA ILE 67 HA ILE 67 -4.174 0.757 -10.965 544 HB ILE 67 HB ILE 67 -2.302 2.247 -9.126 545 HG12 ILE 67 2HG1 ILE 67 -4.332 3.346 -11.092 546 HG13 ILE 67 1HG1 ILE 67 -4.192 3.733 -9.385 547 HG21 ILE 67 1HG2 ILE 67 -1.319 2.840 -11.379 548 HG22 ILE 67 2HG2 ILE 67 -2.480 1.731 -12.105 549 HG23 ILE 67 3HG2 ILE 67 -1.259 1.121 -10.992 550 HD11 ILE 67 3HD1 ILE 67 -3.032 5.157 -11.460 551 HD12 ILE 67 1HD1 ILE 67 -1.697 4.204 -10.814 552 HD13 ILE 67 2HD1 ILE 67 -2.605 5.279 -9.753 553 H ILE 68 H ILE 68 -3.313 0.577 -7.493 554 HA ILE 68 HA ILE 68 -1.327 -1.448 -7.717 555 HB ILE 68 HB ILE 68 -3.312 -0.665 -5.570 556 HG12 ILE 68 2HG1 ILE 68 -0.313 -0.262 -5.781 557 HG13 ILE 68 1HG1 ILE 68 -1.500 0.938 -6.298 558 HG21 ILE 68 1HG2 ILE 68 -2.806 -2.864 -4.929 559 HG22 ILE 68 2HG2 ILE 68 -1.568 -1.928 -4.092 560 HG23 ILE 68 3HG2 ILE 68 -1.171 -2.779 -5.584 561 HD11 ILE 68 3HD1 ILE 68 -1.814 -0.184 -3.554 562 HD12 ILE 68 1HD1 ILE 68 -2.127 1.448 -4.144 563 HD13 ILE 68 2HD1 ILE 68 -0.473 0.931 -3.818 564 H GLN 69 H GLN 69 -4.838 -1.771 -7.051 565 HA GLN 69 HA GLN 69 -4.886 -4.621 -6.986 566 HB2 GLN 69 2HB GLN 69 -7.255 -4.318 -7.120 567 HB3 GLN 69 1HB GLN 69 -6.647 -2.877 -6.304 568 HG2 GLN 69 2HG GLN 69 -6.648 -1.669 -8.474 569 HG3 GLN 69 1HG GLN 69 -7.319 -3.104 -9.254 570 HE21 GLN 69 1HE2 GLN 69 -8.110 -1.471 -6.129 571 HE22 GLN 69 2HE2 GLN 69 -9.764 -1.304 -6.471 572 H ARG 70 H ARG 70 -5.374 -2.338 -9.684 573 HA ARG 70 HA ARG 70 -5.888 -4.303 -11.685 574 HB2 ARG 70 2HB ARG 70 -5.001 -1.421 -11.625 575 HB3 ARG 70 1HB ARG 70 -5.220 -2.277 -13.151 576 HG2 ARG 70 2HG ARG 70 -7.548 -2.815 -12.512 577 HG3 ARG 70 1HG ARG 70 -7.329 -1.935 -10.998 578 HD2 ARG 70 2HD ARG 70 -8.268 -0.249 -12.304 579 HD3 ARG 70 1HD ARG 70 -6.553 0.007 -12.686 580 HE ARG 70 HE ARG 70 -8.482 -1.483 -14.411 581 HH11 ARG 70 1HH2 ARG 70 -6.302 1.003 -14.413 582 HH12 ARG 70 2HH2 ARG 70 -5.387 0.469 -15.783 583 HH21 ARG 70 1HH1 ARG 70 -6.921 -2.639 -15.928 584 HH22 ARG 70 2HH1 ARG 70 -5.738 -1.594 -16.641 585 H ALA 71 H ALA 71 -2.898 -2.492 -10.829 586 HA ALA 71 HA ALA 71 -1.243 -3.669 -12.812 587 HB1 ALA 71 1HB ALA 71 0.551 -2.976 -11.069 588 HB2 ALA 71 2HB ALA 71 -0.813 -2.405 -10.108 589 HB3 ALA 71 3HB ALA 71 -0.504 -1.711 -11.699 590 H LEU 72 H LEU 72 -1.751 -4.564 -9.397 591 HA LEU 72 HA LEU 72 -0.016 -6.813 -9.356 592 HB2 LEU 72 2HB LEU 72 -2.518 -6.072 -7.817 593 HB3 LEU 72 1HB LEU 72 -1.455 -7.404 -7.358 594 HG LEU 72 HG LEU 72 -0.585 -4.514 -7.655 595 HD11 LEU 72 1HD1 LEU 72 -0.250 -4.883 -5.093 596 HD12 LEU 72 2HD1 LEU 72 -1.405 -6.200 -5.297 597 HD13 LEU 72 3HD1 LEU 72 -1.875 -4.546 -5.689 598 HD21 LEU 72 3HD2 LEU 72 0.824 -7.044 -6.763 599 HD22 LEU 72 1HD2 LEU 72 1.459 -5.428 -6.456 600 HD23 LEU 72 2HD2 LEU 72 1.257 -5.995 -8.113 601 H GLU 73 H GLU 73 -3.440 -6.502 -10.197 602 HA GLU 73 HA GLU 73 -3.968 -9.306 -10.463 603 HB2 GLU 73 2HB GLU 73 -5.275 -6.713 -10.901 604 HB3 GLU 73 1HB GLU 73 -5.801 -7.949 -12.030 605 HG2 GLU 73 2HG GLU 73 -5.669 -9.190 -9.485 606 HG3 GLU 73 1HG GLU 73 -6.495 -7.650 -9.255 607 H ASN 74 H ASN 74 -3.234 -6.704 -12.776 608 HA ASN 74 HA ASN 74 -3.334 -8.285 -15.127 609 HB2 ASN 74 2HB ASN 74 -3.127 -5.697 -14.648 610 HB3 ASN 74 1HB ASN 74 -1.396 -6.022 -14.731 611 HD21 ASN 74 1HD2 ASN 74 -3.514 -4.697 -16.666 612 HD22 ASN 74 2HD2 ASN 74 -3.138 -5.403 -18.162 613 H TYR 75 H TYR 75 -0.788 -7.655 -12.735 614 HA TYR 75 HA TYR 75 1.282 -9.057 -14.226 615 HB2 TYR 75 2HB TYR 75 1.105 -7.268 -12.155 616 HB3 TYR 75 1HB TYR 75 1.517 -8.757 -11.313 617 HD1 TYR 75 2HD TYR 75 2.477 -6.564 -14.144 618 HD2 TYR 75 1HD TYR 75 3.756 -9.656 -11.446 619 HE1 TYR 75 2HE TYR 75 4.795 -6.346 -14.996 620 HE2 TYR 75 1HE TYR 75 6.073 -9.438 -12.303 621 HH TYR 75 HH TYR 75 6.829 -7.281 -15.019 622 H GLY 76 H GLY 76 -1.317 -10.036 -12.176 623 HA2 GLY 76 2HA GLY 76 -1.972 -12.370 -12.077 624 HA3 GLY 76 1HA GLY 76 -0.271 -12.790 -12.212 625 H ALA 77 H ALA 77 -0.446 -10.207 -10.146 626 HA ALA 77 HA ALA 77 -0.201 -11.995 -7.782 627 HB1 ALA 77 1HB ALA 77 0.506 -9.531 -6.932 628 HB2 ALA 77 2HB ALA 77 0.755 -9.317 -8.665 629 HB3 ALA 77 3HB ALA 77 1.622 -10.586 -7.800 630 H ARG 78 H ARG 78 -2.145 -12.302 -6.747 631 HA ARG 78 HA ARG 78 -3.975 -9.937 -6.462 632 HB2 ARG 78 2HB ARG 78 -4.448 -12.301 -7.715 633 HB3 ARG 78 1HB ARG 78 -4.955 -12.718 -6.078 634 HG2 ARG 78 2HG ARG 78 -6.306 -10.535 -6.112 635 HG3 ARG 78 1HG ARG 78 -6.022 -10.521 -7.853 636 HD2 ARG 78 2HD ARG 78 -6.968 -12.887 -7.918 637 HD3 ARG 78 1HD ARG 78 -7.483 -12.630 -6.238 638 HE ARG 78 HE ARG 78 -8.291 -10.371 -7.778 639 HH11 ARG 78 1HH1 ARG 78 -9.692 -12.692 -6.035 640 HH12 ARG 78 2HH1 ARG 78 -11.006 -13.043 -7.107 641 HH21 ARG 78 1HH2 ARG 78 -9.655 -11.270 -9.766 642 HH22 ARG 78 2HH2 ARG 78 -10.984 -12.237 -9.221 643 H VAL 79 H VAL 79 -4.755 -9.508 -4.335 644 HA VAL 79 HA VAL 79 -3.225 -10.784 -2.171 645 HB VAL 79 HB VAL 79 -5.347 -8.654 -1.927 646 HG11 VAL 79 1HG1 VAL 79 -4.450 -8.283 0.131 647 HG12 VAL 79 2HG1 VAL 79 -2.800 -8.522 -0.439 648 HG13 VAL 79 3HG1 VAL 79 -3.810 -9.915 -0.053 649 HG21 VAL 79 3HG2 VAL 79 -4.132 -7.261 -3.221 650 HG22 VAL 79 1HG2 VAL 79 -2.946 -8.534 -3.513 651 HG23 VAL 79 2HG2 VAL 79 -2.769 -7.468 -2.121 652 H GLU 80 H GLU 80 -4.026 -12.441 -1.007 653 HA GLU 80 HA GLU 80 -6.832 -13.280 -1.346 654 HB2 GLU 80 2HB GLU 80 -5.567 -15.183 -1.299 655 HB3 GLU 80 1HB GLU 80 -4.209 -14.352 -0.537 656 HG2 GLU 80 2HG GLU 80 -5.196 -14.609 1.653 657 HG3 GLU 80 1HG GLU 80 -6.703 -15.215 0.965 658 H LYS 81 H LYS 81 -5.146 -11.180 0.688 659 HA LYS 81 HA LYS 81 -7.169 -11.525 2.864 660 HB2 LYS 81 2HB LYS 81 -5.362 -11.203 4.400 661 HB3 LYS 81 1HB LYS 81 -4.786 -12.355 3.199 662 HG2 LYS 81 2HG LYS 81 -3.009 -10.942 3.035 663 HG3 LYS 81 1HG LYS 81 -4.096 -10.000 2.010 664 HD2 LYS 81 2HD LYS 81 -3.709 -8.316 3.487 665 HD3 LYS 81 1HD LYS 81 -4.836 -9.181 4.532 666 HE2 LYS 81 2HE LYS 81 -2.023 -10.149 4.595 667 HE3 LYS 81 1HE LYS 81 -2.324 -8.558 5.325 668 HZ1 LYS 81 3HZ LYS 81 -4.198 -9.527 6.534 669 HZ2 LYS 81 1HZ LYS 81 -2.743 -10.299 6.939 670 HZ3 LYS 81 2HZ LYS 81 -3.839 -11.055 5.883 671 H VAL 82 H VAL 82 -7.886 -9.569 3.842 672 HA VAL 82 HA VAL 82 -6.848 -7.006 2.714 673 HB VAL 82 HB VAL 82 -9.398 -6.386 2.779 674 HG11 VAL 82 1HG1 VAL 82 -9.605 -7.020 0.456 675 HG12 VAL 82 2HG1 VAL 82 -8.406 -8.299 0.653 676 HG13 VAL 82 3HG1 VAL 82 -7.916 -6.607 0.756 677 HG21 VAL 82 3HG2 VAL 82 -10.860 -8.321 2.283 678 HG22 VAL 82 1HG2 VAL 82 -10.133 -8.460 3.883 679 HG23 VAL 82 2HG2 VAL 82 -9.495 -9.408 2.540 680 H GLU 83 H GLU 83 -5.989 -6.167 4.596 681 HA GLU 83 HA GLU 83 -7.791 -6.069 6.993 682 HB2 GLU 83 2HB GLU 83 -4.964 -6.930 6.607 683 HB3 GLU 83 1HB GLU 83 -5.336 -6.056 8.093 684 HG2 GLU 83 2HG GLU 83 -7.272 -7.667 8.424 685 HG3 GLU 83 1HG GLU 83 -6.601 -8.619 7.100 686 H GLU 84 H GLU 84 -8.237 -3.971 7.527 687 HA GLU 84 HA GLU 84 -6.467 -1.822 6.564 688 HB2 GLU 84 2HB GLU 84 -9.224 -1.826 7.827 689 HB3 GLU 84 1HB GLU 84 -8.420 -0.406 7.155 690 HG2 GLU 84 2HG GLU 84 -8.380 -1.424 4.940 691 HG3 GLU 84 1HG GLU 84 -9.068 -2.916 5.582 692 H LEU 85 H LEU 85 -4.746 -2.072 8.151 693 HA LEU 85 HA LEU 85 -5.571 -1.336 10.945 694 HB2 LEU 85 2HB LEU 85 -3.157 -2.996 10.197 695 HB3 LEU 85 1HB LEU 85 -3.972 -2.897 11.757 696 HG LEU 85 HG LEU 85 -5.241 -4.035 9.249 697 HD11 LEU 85 1HD1 LEU 85 -3.381 -5.456 9.957 698 HD12 LEU 85 2HD1 LEU 85 -4.906 -6.234 10.378 699 HD13 LEU 85 3HD1 LEU 85 -3.957 -5.421 11.623 700 HD21 LEU 85 3HD2 LEU 85 -6.186 -4.690 11.988 701 HD22 LEU 85 1HD2 LEU 85 -7.115 -4.408 10.516 702 HD23 LEU 85 2HD2 LEU 85 -6.490 -3.042 11.441 703 H GLY 86 H GLY 86 -3.219 -0.733 12.084 704 HA2 GLY 86 2HA GLY 86 -1.624 0.979 12.260 705 HA3 GLY 86 1HA GLY 86 -1.257 0.635 10.569 706 H LEU 87 H LEU 87 -1.211 3.280 11.575 707 HA LEU 87 HA LEU 87 -2.857 4.629 9.683 708 HB2 LEU 87 2HB LEU 87 -4.511 5.593 11.239 709 HB3 LEU 87 1HB LEU 87 -4.611 3.833 11.253 710 HG LEU 87 HG LEU 87 -2.772 4.175 13.192 711 HD11 LEU 87 1HD1 LEU 87 -4.623 6.486 13.719 712 HD12 LEU 87 2HD1 LEU 87 -3.158 6.739 12.769 713 HD13 LEU 87 3HD1 LEU 87 -3.044 6.143 14.427 714 HD21 LEU 87 3HD2 LEU 87 -5.108 3.055 13.178 715 HD22 LEU 87 1HD2 LEU 87 -5.697 4.589 13.820 716 HD23 LEU 87 2HD2 LEU 87 -4.503 3.655 14.721 717 H ARG 88 H ARG 88 -1.867 6.590 9.355 718 HA ARG 88 HA ARG 88 0.169 7.517 11.218 719 HB2 ARG 88 2HB ARG 88 0.004 7.477 8.564 720 HB3 ARG 88 1HB ARG 88 -0.764 9.045 8.820 721 HG2 ARG 88 2HG ARG 88 1.499 9.626 8.624 722 HG3 ARG 88 1HG ARG 88 1.287 9.515 10.371 723 HD2 ARG 88 2HD ARG 88 1.896 6.891 9.572 724 HD3 ARG 88 1HD ARG 88 3.005 7.925 8.649 725 HE ARG 88 HE ARG 88 2.660 8.421 11.569 726 HH11 ARG 88 1HH2 ARG 88 4.497 6.869 9.145 727 HH12 ARG 88 2HH2 ARG 88 6.031 7.281 9.836 728 HH21 ARG 88 1HH1 ARG 88 4.673 9.250 12.345 729 HH22 ARG 88 2HH1 ARG 88 6.131 8.629 11.646 730 H ARG 89 H ARG 89 -0.365 8.885 12.902 731 HA ARG 89 HA ARG 89 -2.953 10.335 12.813 732 HB2 ARG 89 2HB ARG 89 -1.216 9.125 14.770 733 HB3 ARG 89 1HB ARG 89 -1.518 10.807 15.212 734 HG2 ARG 89 2HG ARG 89 -3.991 10.335 14.770 735 HG3 ARG 89 1HG ARG 89 -3.554 8.627 14.715 736 HD2 ARG 89 2HD ARG 89 -4.110 8.889 16.979 737 HD3 ARG 89 1HD ARG 89 -2.361 9.190 17.022 738 HE ARG 89 HE ARG 89 -3.930 11.589 16.449 739 HH11 ARG 89 1HH2 ARG 89 -1.406 10.564 18.239 740 HH12 ARG 89 2HH2 ARG 89 -1.865 11.319 19.728 741 HH21 ARG 89 1HH1 ARG 89 -5.058 12.126 18.641 742 HH22 ARG 89 2HH1 ARG 89 -3.934 12.203 19.956 743 H LEU 90 H LEU 90 -3.053 12.494 12.351 744 HA LEU 90 HA LEU 90 -1.089 14.427 13.177 745 HB2 LEU 90 2HB LEU 90 -0.245 12.842 11.098 746 HB3 LEU 90 1HB LEU 90 -0.941 14.216 10.236 747 HG LEU 90 HG LEU 90 0.988 14.566 12.537 748 HD11 LEU 90 1HD1 LEU 90 1.729 14.695 9.611 749 HD12 LEU 90 2HD1 LEU 90 1.905 13.211 10.547 750 HD13 LEU 90 3HD1 LEU 90 2.803 14.656 11.010 751 HD21 LEU 90 3HD2 LEU 90 1.039 16.575 10.473 752 HD22 LEU 90 1HD2 LEU 90 0.598 16.756 12.171 753 HD23 LEU 90 2HD2 LEU 90 -0.629 16.313 10.984 754 H ALA 91 H ALA 91 -3.325 15.244 13.692 755 HA ALA 91 HA ALA 91 -4.791 16.325 11.323 756 HB1 ALA 91 1HB ALA 91 -5.570 14.974 13.618 757 HB2 ALA 91 2HB ALA 91 -6.644 15.895 12.565 758 HB3 ALA 91 3HB ALA 91 -5.952 16.653 13.999 759 H TYR 92 H TYR 92 -3.418 18.168 10.929 760 HA TYR 92 HA TYR 92 -2.823 20.062 13.094 761 HB2 TYR 92 2HB TYR 92 -2.187 19.599 10.243 762 HB3 TYR 92 1HB TYR 92 -2.219 21.295 10.724 763 HD1 TYR 92 1HD TYR 92 -1.340 21.121 13.550 764 HD2 TYR 92 2HD TYR 92 0.111 19.086 10.055 765 HE1 TYR 92 1HE TYR 92 0.882 20.864 14.621 766 HE2 TYR 92 2HE TYR 92 2.333 18.829 11.128 767 HH TYR 92 HH TYR 92 2.850 19.554 14.478 768 HA PRO 93 HA PRO 93 -6.340 22.629 12.529 769 HB2 PRO 93 2HB PRO 93 -5.294 25.087 13.129 770 HB3 PRO 93 1HB PRO 93 -5.602 23.839 14.352 771 HG2 PRO 93 2HG PRO 93 -3.047 24.691 13.124 772 HG3 PRO 93 1HG PRO 93 -3.375 24.076 14.748 773 HD2 PRO 93 2HD PRO 93 -2.270 22.606 12.669 774 HD3 PRO 93 1HD PRO 93 -3.027 21.926 14.124 775 H ILE 94 H ILE 94 -3.753 24.833 11.432 776 HA ILE 94 HA ILE 94 -5.118 24.966 8.763 777 HB ILE 94 HB ILE 94 -3.826 27.106 10.483 778 HG12 ILE 94 2HG1 ILE 94 -6.513 27.616 9.529 779 HG13 ILE 94 1HG1 ILE 94 -6.450 26.072 10.379 780 HG21 ILE 94 1HG2 ILE 94 -3.591 28.396 8.652 781 HG22 ILE 94 2HG2 ILE 94 -5.254 28.074 8.160 782 HG23 ILE 94 3HG2 ILE 94 -3.961 26.979 7.669 783 HD11 ILE 94 3HD1 ILE 94 -4.910 27.690 11.994 784 HD12 ILE 94 1HD1 ILE 94 -6.610 27.312 12.270 785 HD13 ILE 94 2HD1 ILE 94 -6.163 28.799 11.434 786 H ALA 95 H ALA 95 -3.756 24.793 6.982 787 HA ALA 95 HA ALA 95 -0.930 24.098 7.487 788 HB1 ALA 95 1HB ALA 95 -2.925 23.280 5.750 789 HB2 ALA 95 2HB ALA 95 -1.210 22.908 5.568 790 HB3 ALA 95 3HB ALA 95 -1.908 24.288 4.720 791 H LYS 96 H LYS 96 0.505 25.784 7.608 792 HA LYS 96 HA LYS 96 0.024 28.438 6.649 793 HB2 LYS 96 2HB LYS 96 1.631 27.624 8.435 794 HB3 LYS 96 1HB LYS 96 2.681 27.057 7.135 795 HG2 LYS 96 2HG LYS 96 3.335 29.165 6.564 796 HG3 LYS 96 1HG LYS 96 1.737 29.849 6.865 797 HD2 LYS 96 2HD LYS 96 2.241 29.456 9.366 798 HD3 LYS 96 1HD LYS 96 3.919 29.246 8.862 799 HE2 LYS 96 2HE LYS 96 2.470 31.651 7.827 800 HE3 LYS 96 1HE LYS 96 2.986 31.660 9.526 801 HZ1 LYS 96 3HZ LYS 96 5.159 30.684 8.541 802 HZ2 LYS 96 1HZ LYS 96 4.893 32.357 8.466 803 HZ3 LYS 96 2HZ LYS 96 4.622 31.393 7.093 Start of MODEL 17 1 H1 MET 1 1HT MET 1 -1.113 8.581 10.380 2 H2 MET 1 2HT MET 1 -0.472 7.377 11.394 3 H3 MET 1 3HT MET 1 0.121 7.564 9.814 4 HA MET 1 HA MET 1 1.512 8.518 11.740 5 HB2 MET 1 2HB MET 1 0.650 9.927 9.200 6 HB3 MET 1 1HB MET 1 2.038 10.450 10.155 7 HG2 MET 1 2HG MET 1 2.367 7.681 9.875 8 HG3 MET 1 1HG MET 1 1.832 8.236 8.288 9 HE1 MET 1 2HE MET 1 4.658 8.188 10.943 10 HE2 MET 1 3HE MET 1 5.927 8.162 9.721 11 HE3 MET 1 1HE MET 1 4.579 7.021 9.626 12 H ASP 2 H ASP 2 1.721 11.276 11.905 13 HA ASP 2 HA ASP 2 -0.345 11.910 13.859 14 HB2 ASP 2 2HB ASP 2 2.177 12.498 13.814 15 HB3 ASP 2 1HB ASP 2 1.713 13.796 12.714 16 HA PRO 3 HA PRO 3 -1.584 15.109 10.576 17 HB2 PRO 3 2HB PRO 3 -0.633 14.815 8.034 18 HB3 PRO 3 1HB PRO 3 0.228 15.731 9.281 19 HG2 PRO 3 2HG PRO 3 0.779 13.035 8.206 20 HG3 PRO 3 1HG PRO 3 1.893 14.249 8.845 21 HD2 PRO 3 2HD PRO 3 0.984 11.986 10.195 22 HD3 PRO 3 1HD PRO 3 1.777 13.394 10.933 23 H GLN 4 H GLN 4 -1.631 11.789 10.392 24 HA GLN 4 HA GLN 4 -4.306 11.680 9.303 25 HB2 GLN 4 2HB GLN 4 -3.666 10.479 7.194 26 HB3 GLN 4 1HB GLN 4 -3.103 12.149 7.232 27 HG2 GLN 4 2HG GLN 4 -0.935 11.521 7.183 28 HG3 GLN 4 1HG GLN 4 -1.183 10.307 8.441 29 HE21 GLN 4 1HE2 GLN 4 0.130 8.748 7.186 30 HE22 GLN 4 2HE2 GLN 4 -0.516 7.992 5.810 31 H GLY 5 H GLY 5 -3.914 8.930 8.181 32 HA2 GLY 5 2HA GLY 5 -2.642 7.392 10.322 33 HA3 GLY 5 1HA GLY 5 -4.401 7.338 10.375 34 H TYR 6 H TYR 6 -1.629 6.681 8.196 35 HA TYR 6 HA TYR 6 -3.118 5.255 6.208 36 HB2 TYR 6 2HB TYR 6 -0.983 4.813 5.376 37 HB3 TYR 6 1HB TYR 6 -0.639 6.187 6.424 38 HD1 TYR 6 2HD TYR 6 -0.393 2.521 6.062 39 HD2 TYR 6 1HD TYR 6 0.574 5.912 8.517 40 HE1 TYR 6 2HE TYR 6 1.175 1.121 7.377 41 HE2 TYR 6 1HE TYR 6 2.143 4.511 9.831 42 HH TYR 6 HH TYR 6 2.182 1.658 10.215 43 H PHE 7 H PHE 7 -3.905 3.132 6.245 44 HA PHE 7 HA PHE 7 -2.837 1.232 8.195 45 HB2 PHE 7 2HB PHE 7 -5.531 2.534 8.248 46 HB3 PHE 7 1HB PHE 7 -5.379 0.877 8.824 47 HD1 PHE 7 1HD PHE 7 -3.076 0.559 10.303 48 HD2 PHE 7 2HD PHE 7 -5.381 4.161 9.900 49 HE1 PHE 7 1HE PHE 7 -2.147 1.393 12.445 50 HE2 PHE 7 2HE PHE 7 -4.453 4.995 12.043 51 HZ PHE 7 HZ PHE 7 -2.836 3.611 13.316 52 H LEU 8 H LEU 8 -2.216 0.208 6.116 53 HA LEU 8 HA LEU 8 -4.426 -1.402 5.029 54 HB2 LEU 8 2HB LEU 8 -2.510 0.351 3.484 55 HB3 LEU 8 1HB LEU 8 -3.510 -0.884 2.722 56 HG LEU 8 HG LEU 8 -5.381 0.434 4.203 57 HD11 LEU 8 1HD1 LEU 8 -3.444 2.085 4.750 58 HD12 LEU 8 2HD1 LEU 8 -4.992 2.759 4.239 59 HD13 LEU 8 3HD1 LEU 8 -3.658 2.644 3.090 60 HD21 LEU 8 3HD2 LEU 8 -4.473 0.395 1.410 61 HD22 LEU 8 1HD2 LEU 8 -5.370 1.855 1.825 62 HD23 LEU 8 2HD2 LEU 8 -6.108 0.269 2.057 63 H TRP 9 H TRP 9 -3.795 -3.506 5.062 64 HA TRP 9 HA TRP 9 -0.871 -4.121 4.751 65 HB2 TRP 9 2HB TRP 9 -2.120 -4.397 7.041 66 HB3 TRP 9 1HB TRP 9 -2.849 -5.810 6.279 67 HD1 TRP 9 HD TRP 9 0.313 -5.723 4.681 68 HE1 TRP 9 1HE TRP 9 2.075 -7.183 5.870 69 HE3 TRP 9 3HE TRP 9 -1.987 -6.386 9.192 70 HZ2 TRP 9 2HZ TRP 9 2.458 -8.462 8.400 71 HZ3 TRP 9 3HZ TRP 9 -0.902 -7.728 10.971 72 HH2 TRP 9 HH TRP 9 1.316 -8.766 10.581 73 H TYR 10 H TYR 10 -0.604 -5.156 2.807 74 HA TYR 10 HA TYR 10 -2.799 -6.982 1.876 75 HB2 TYR 10 2HB TYR 10 -1.333 -4.723 0.630 76 HB3 TYR 10 1HB TYR 10 -1.582 -6.127 -0.407 77 HD1 TYR 10 2HD TYR 10 -3.624 -4.368 2.223 78 HD2 TYR 10 1HD TYR 10 -3.440 -5.909 -1.777 79 HE1 TYR 10 2HE TYR 10 -5.979 -3.693 1.857 80 HE2 TYR 10 1HE TYR 10 -5.796 -5.233 -2.147 81 HH TYR 10 HH TYR 10 -7.549 -4.156 -1.307 82 H GLN 11 H GLN 11 -2.121 -9.024 1.295 83 HA GLN 11 HA GLN 11 0.796 -9.503 1.090 84 HB2 GLN 11 2HB GLN 11 -0.947 -10.430 2.983 85 HB3 GLN 11 1HB GLN 11 -0.984 -11.743 1.807 86 HG2 GLN 11 2HG GLN 11 1.594 -11.604 1.847 87 HG3 GLN 11 1HG GLN 11 1.391 -10.653 3.319 88 HE21 GLN 11 1HE2 GLN 11 2.447 -12.498 4.497 89 HE22 GLN 11 2HE2 GLN 11 1.526 -13.870 4.887 90 H VAL 12 H VAL 12 1.375 -11.287 -0.420 91 HA VAL 12 HA VAL 12 -0.720 -11.753 -2.516 92 HB VAL 12 HB VAL 12 1.049 -11.400 -4.178 93 HG11 VAL 12 1HG1 VAL 12 1.329 -9.038 -3.901 94 HG12 VAL 12 2HG1 VAL 12 1.178 -9.166 -2.147 95 HG13 VAL 12 3HG1 VAL 12 -0.226 -9.453 -3.178 96 HG21 VAL 12 3HG2 VAL 12 2.864 -10.697 -1.858 97 HG22 VAL 12 1HG2 VAL 12 3.302 -10.848 -3.559 98 HG23 VAL 12 2HG2 VAL 12 2.868 -12.283 -2.629 99 H GLU 13 H GLU 13 0.253 -13.506 -4.093 100 HA GLU 13 HA GLU 13 1.663 -15.640 -2.550 101 HB2 GLU 13 2HB GLU 13 -0.084 -17.161 -3.778 102 HB3 GLU 13 1HB GLU 13 -0.590 -16.296 -2.331 103 HG2 GLU 13 2HG GLU 13 -1.698 -14.612 -3.614 104 HG3 GLU 13 1HG GLU 13 -0.944 -15.160 -5.112 105 H MET 14 H MET 14 3.172 -14.279 -4.217 106 HA MET 14 HA MET 14 3.279 -15.901 -6.726 107 HB2 MET 14 2HB MET 14 3.913 -13.772 -7.841 108 HB3 MET 14 1HB MET 14 2.297 -13.702 -7.157 109 HG2 MET 14 2HG MET 14 3.798 -12.814 -5.053 110 HG3 MET 14 1HG MET 14 4.742 -12.211 -6.411 111 HE1 MET 14 3HE MET 14 4.544 -10.486 -7.479 112 HE2 MET 14 1HE MET 14 3.275 -9.254 -7.522 113 HE3 MET 14 2HE MET 14 3.185 -10.654 -8.587 114 HA PRO 15 HA PRO 15 7.509 -16.455 -5.607 115 HB2 PRO 15 2HB PRO 15 8.513 -17.014 -8.084 116 HB3 PRO 15 1HB PRO 15 7.610 -18.167 -7.119 117 HG2 PRO 15 2HG PRO 15 6.728 -16.516 -9.415 118 HG3 PRO 15 1HG PRO 15 6.256 -18.164 -8.978 119 HD2 PRO 15 2HD PRO 15 4.686 -15.975 -8.528 120 HD3 PRO 15 1HD PRO 15 4.614 -17.456 -7.552 121 H GLU 16 H GLU 16 9.663 -16.018 -7.014 122 HA GLU 16 HA GLU 16 10.196 -13.216 -6.876 123 HB2 GLU 16 2HB GLU 16 11.671 -15.375 -6.759 124 HB3 GLU 16 1HB GLU 16 11.728 -15.212 -8.512 125 HG2 GLU 16 2HG GLU 16 12.874 -13.174 -8.422 126 HG3 GLU 16 1HG GLU 16 12.348 -12.840 -6.771 127 H ASP 17 H ASP 17 9.074 -15.367 -9.358 128 HA ASP 17 HA ASP 17 9.770 -13.931 -11.698 129 HB2 ASP 17 2HB ASP 17 8.866 -16.247 -11.532 130 HB3 ASP 17 1HB ASP 17 7.290 -15.574 -11.110 131 H ARG 18 H ARG 18 6.904 -13.648 -9.616 132 HA ARG 18 HA ARG 18 5.828 -11.434 -11.269 133 HB2 ARG 18 2HB ARG 18 4.635 -12.258 -8.654 134 HB3 ARG 18 1HB ARG 18 3.838 -11.895 -10.184 135 HG2 ARG 18 2HG ARG 18 4.980 -14.049 -11.057 136 HG3 ARG 18 1HG ARG 18 5.245 -14.422 -9.355 137 HD2 ARG 18 2HD ARG 18 3.096 -15.120 -9.145 138 HD3 ARG 18 1HD ARG 18 2.500 -13.571 -9.776 139 HE ARG 18 HE ARG 18 3.061 -14.535 -12.088 140 HH11 ARG 18 1HH2 ARG 18 4.042 -17.065 -10.447 141 HH12 ARG 18 2HH2 ARG 18 2.782 -18.173 -10.880 142 HH21 ARG 18 1HH1 ARG 18 0.706 -15.720 -12.183 143 HH22 ARG 18 2HH1 ARG 18 0.896 -17.411 -11.862 144 H VAL 19 H VAL 19 7.844 -11.841 -8.543 145 HA VAL 19 HA VAL 19 7.314 -9.713 -6.824 146 HB VAL 19 HB VAL 19 9.839 -10.928 -7.935 147 HG11 VAL 19 1HG1 VAL 19 10.978 -9.062 -7.335 148 HG12 VAL 19 2HG1 VAL 19 10.632 -9.540 -5.673 149 HG13 VAL 19 3HG1 VAL 19 9.584 -8.384 -6.495 150 HG21 VAL 19 3HG2 VAL 19 8.556 -10.878 -5.187 151 HG22 VAL 19 1HG2 VAL 19 9.996 -11.793 -5.632 152 HG23 VAL 19 2HG2 VAL 19 8.437 -12.199 -6.347 153 H ASN 20 H ASN 20 8.788 -9.569 -10.045 154 HA ASN 20 HA ASN 20 9.686 -6.909 -10.118 155 HB2 ASN 20 2HB ASN 20 9.363 -9.029 -11.849 156 HB3 ASN 20 1HB ASN 20 8.220 -7.853 -12.494 157 HD21 ASN 20 1HD2 ASN 20 9.084 -6.156 -13.731 158 HD22 ASN 20 2HD2 ASN 20 10.740 -5.803 -13.846 159 H ASP 21 H ASP 21 6.413 -8.181 -10.151 160 HA ASP 21 HA ASP 21 4.989 -5.956 -11.160 161 HB2 ASP 21 2HB ASP 21 4.229 -8.334 -10.545 162 HB3 ASP 21 1HB ASP 21 4.120 -7.749 -8.886 163 H LEU 22 H LEU 22 6.001 -6.746 -7.832 164 HA LEU 22 HA LEU 22 4.839 -4.501 -6.518 165 HB2 LEU 22 2HB LEU 22 7.215 -6.304 -6.066 166 HB3 LEU 22 1HB LEU 22 6.894 -4.971 -4.956 167 HG LEU 22 HG LEU 22 5.809 -6.984 -4.112 168 HD11 LEU 22 1HD1 LEU 22 3.577 -5.383 -5.346 169 HD12 LEU 22 2HD1 LEU 22 4.643 -4.645 -4.150 170 HD13 LEU 22 3HD1 LEU 22 3.684 -6.063 -3.723 171 HD21 LEU 22 3HD2 LEU 22 4.234 -7.043 -6.698 172 HD22 LEU 22 1HD2 LEU 22 4.229 -8.246 -5.409 173 HD23 LEU 22 2HD2 LEU 22 5.659 -8.043 -6.421 174 H ALA 23 H ALA 23 7.960 -4.894 -8.174 175 HA ALA 23 HA ALA 23 9.166 -2.433 -7.527 176 HB1 ALA 23 1HB ALA 23 9.493 -4.634 -9.330 177 HB2 ALA 23 2HB ALA 23 10.704 -3.451 -8.836 178 HB3 ALA 23 3HB ALA 23 9.696 -3.142 -10.249 179 H ARG 24 H ARG 24 7.166 -3.250 -10.387 180 HA ARG 24 HA ARG 24 6.989 -0.579 -11.375 181 HB2 ARG 24 2HB ARG 24 6.134 -3.205 -12.033 182 HB3 ARG 24 1HB ARG 24 4.688 -2.195 -12.015 183 HG2 ARG 24 2HG ARG 24 6.513 -0.578 -13.302 184 HG3 ARG 24 1HG ARG 24 6.952 -2.183 -13.889 185 HD2 ARG 24 2HD ARG 24 4.047 -1.769 -13.827 186 HD3 ARG 24 1HD ARG 24 4.889 -0.642 -14.910 187 HE ARG 24 HE ARG 24 6.131 -2.954 -15.555 188 HH11 ARG 24 1HH1 ARG 24 3.896 -4.538 -14.377 189 HH12 ARG 24 2HH1 ARG 24 2.831 -4.739 -15.727 190 HH21 ARG 24 1HH2 ARG 24 4.292 -2.205 -17.592 191 HH22 ARG 24 2HH2 ARG 24 3.055 -3.416 -17.550 192 H GLU 25 H GLU 25 4.891 -2.547 -9.286 193 HA GLU 25 HA GLU 25 2.761 -0.730 -8.934 194 HB2 GLU 25 2HB GLU 25 3.153 -3.200 -8.200 195 HB3 GLU 25 1HB GLU 25 3.894 -2.493 -6.764 196 HG2 GLU 25 2HG GLU 25 1.873 -2.054 -5.878 197 HG3 GLU 25 1HG GLU 25 1.390 -1.170 -7.327 198 H LEU 26 H LEU 26 5.769 -1.160 -7.058 199 HA LEU 26 HA LEU 26 5.404 0.868 -5.122 200 HB2 LEU 26 2HB LEU 26 7.785 -0.301 -6.575 201 HB3 LEU 26 1HB LEU 26 7.995 0.917 -5.317 202 HG LEU 26 HG LEU 26 6.222 -1.391 -4.680 203 HD11 LEU 26 1HD1 LEU 26 8.698 -2.300 -3.873 204 HD12 LEU 26 2HD1 LEU 26 9.045 -1.643 -5.471 205 HD13 LEU 26 3HD1 LEU 26 7.817 -2.894 -5.280 206 HD21 LEU 26 3HD2 LEU 26 7.620 0.733 -3.345 207 HD22 LEU 26 1HD2 LEU 26 8.197 -0.810 -2.714 208 HD23 LEU 26 2HD2 LEU 26 6.477 -0.424 -2.662 209 H ARG 27 H ARG 27 6.642 1.038 -8.455 210 HA ARG 27 HA ARG 27 7.296 3.845 -8.405 211 HB2 ARG 27 2HB ARG 27 7.807 1.707 -9.967 212 HB3 ARG 27 1HB ARG 27 6.496 2.428 -10.895 213 HG2 ARG 27 2HG ARG 27 8.747 4.147 -9.902 214 HG3 ARG 27 1HG ARG 27 8.961 3.180 -11.360 215 HD2 ARG 27 2HD ARG 27 6.404 4.502 -11.492 216 HD3 ARG 27 1HD ARG 27 7.671 5.701 -11.162 217 HE ARG 27 HE ARG 27 8.673 3.912 -13.126 218 HH11 ARG 27 1HH1 ARG 27 8.508 6.946 -13.325 219 HH12 ARG 27 2HH1 ARG 27 7.484 7.137 -14.708 220 HH21 ARG 27 1HH2 ARG 27 6.350 3.861 -14.653 221 HH22 ARG 27 2HH2 ARG 27 6.262 5.391 -15.461 222 H ILE 28 H ILE 28 4.394 1.985 -9.286 223 HA ILE 28 HA ILE 28 2.913 4.090 -10.480 224 HB ILE 28 HB ILE 28 2.694 1.371 -9.948 225 HG12 ILE 28 2HG1 ILE 28 0.348 3.000 -10.899 226 HG13 ILE 28 1HG1 ILE 28 1.827 2.901 -11.858 227 HG21 ILE 28 1HG2 ILE 28 0.388 1.192 -8.924 228 HG22 ILE 28 2HG2 ILE 28 0.551 2.875 -8.425 229 HG23 ILE 28 3HG2 ILE 28 1.659 1.657 -7.793 230 HD11 ILE 28 3HD1 ILE 28 1.574 0.312 -11.404 231 HD12 ILE 28 1HD1 ILE 28 0.653 1.081 -12.699 232 HD13 ILE 28 2HD1 ILE 28 -0.121 0.737 -11.151 233 H ARG 29 H ARG 29 3.082 2.906 -7.135 234 HA ARG 29 HA ARG 29 1.157 4.765 -6.050 235 HB2 ARG 29 2HB ARG 29 3.400 3.063 -4.932 236 HB3 ARG 29 1HB ARG 29 2.295 3.972 -3.910 237 HG2 ARG 29 2HG ARG 29 0.378 2.776 -4.889 238 HG3 ARG 29 1HG ARG 29 1.474 1.875 -5.938 239 HD2 ARG 29 2HD ARG 29 2.399 1.656 -3.214 240 HD3 ARG 29 1HD ARG 29 0.690 1.184 -3.300 241 HE ARG 29 HE ARG 29 1.851 0.001 -5.539 242 HH11 ARG 29 1HH1 ARG 29 0.815 -1.182 -2.779 243 HH12 ARG 29 2HH1 ARG 29 2.113 -2.283 -2.457 244 HH21 ARG 29 1HH2 ARG 29 4.220 -0.927 -4.850 245 HH22 ARG 29 2HH2 ARG 29 4.037 -2.139 -3.626 246 H ASP 30 H ASP 30 2.675 6.441 -7.571 247 HA ASP 30 HA ASP 30 4.957 7.586 -6.186 248 HB2 ASP 30 2HB ASP 30 4.383 7.609 -8.672 249 HB3 ASP 30 1HB ASP 30 3.168 8.829 -8.293 250 H ASN 31 H ASN 31 1.510 8.437 -6.479 251 HA ASN 31 HA ASN 31 1.581 10.933 -5.109 252 HB2 ASN 31 2HB ASN 31 -0.260 9.820 -6.489 253 HB3 ASN 31 1HB ASN 31 -0.641 8.878 -5.045 254 HD21 ASN 31 1HD2 ASN 31 -1.709 9.956 -3.292 255 HD22 ASN 31 2HD2 ASN 31 -2.240 11.565 -3.392 256 H VAL 32 H VAL 32 1.999 7.719 -3.903 257 HA VAL 32 HA VAL 32 1.085 8.303 -1.182 258 HB VAL 32 HB VAL 32 1.299 6.074 -2.658 259 HG11 VAL 32 1HG1 VAL 32 3.255 4.891 -2.456 260 HG12 VAL 32 2HG1 VAL 32 3.635 5.585 -0.880 261 HG13 VAL 32 3HG1 VAL 32 3.938 6.513 -2.348 262 HG21 VAL 32 3HG2 VAL 32 0.760 6.728 0.011 263 HG22 VAL 32 1HG2 VAL 32 1.894 5.380 0.096 264 HG23 VAL 32 2HG2 VAL 32 0.383 5.210 -0.798 265 H ARG 33 H ARG 33 2.578 8.305 0.688 266 HA ARG 33 HA ARG 33 4.951 9.929 0.182 267 HB2 ARG 33 2HB ARG 33 3.176 9.180 2.330 268 HB3 ARG 33 1HB ARG 33 4.851 8.993 2.853 269 HG2 ARG 33 2HG ARG 33 5.259 11.233 2.776 270 HG3 ARG 33 1HG ARG 33 4.286 11.458 1.321 271 HD2 ARG 33 2HD ARG 33 2.458 12.053 2.531 272 HD3 ARG 33 1HD ARG 33 2.671 10.695 3.653 273 HE ARG 33 HE ARG 33 4.025 12.089 5.032 274 HH11 ARG 33 1HH2 ARG 33 4.118 13.306 1.857 275 HH12 ARG 33 2HH2 ARG 33 4.377 14.951 2.330 276 HH21 ARG 33 1HH1 ARG 33 4.017 14.312 5.718 277 HH22 ARG 33 2HH1 ARG 33 4.322 15.520 4.517 278 H ARG 34 H ARG 34 4.409 6.632 1.510 279 HA ARG 34 HA ARG 34 7.080 5.839 0.507 280 HB2 ARG 34 2HB ARG 34 6.533 6.690 3.196 281 HB3 ARG 34 1HB ARG 34 6.956 4.977 3.214 282 HG2 ARG 34 2HG ARG 34 8.596 6.906 1.591 283 HG3 ARG 34 1HG ARG 34 8.874 6.757 3.327 284 HD2 ARG 34 2HD ARG 34 9.333 4.377 3.111 285 HD3 ARG 34 1HD ARG 34 8.891 4.413 1.391 286 HE ARG 34 HE ARG 34 11.431 5.241 2.452 287 HH11 ARG 34 1HH2 ARG 34 10.498 7.902 1.635 288 HH12 ARG 34 2HH2 ARG 34 10.895 7.961 -0.050 289 HH21 ARG 34 1HH1 ARG 34 11.290 4.529 -0.351 290 HH22 ARG 34 2HH1 ARG 34 11.344 6.051 -1.175 291 H VAL 35 H VAL 35 7.302 3.564 0.332 292 HA VAL 35 HA VAL 35 5.011 1.864 1.207 293 HB VAL 35 HB VAL 35 4.599 2.579 -1.106 294 HG11 VAL 35 1HG1 VAL 35 7.404 1.538 -1.587 295 HG12 VAL 35 2HG1 VAL 35 6.856 3.207 -1.743 296 HG13 VAL 35 3HG1 VAL 35 6.276 1.979 -2.869 297 HG21 VAL 35 3HG2 VAL 35 5.641 -0.260 -0.869 298 HG22 VAL 35 1HG2 VAL 35 4.685 0.329 -2.229 299 HG23 VAL 35 2HG2 VAL 35 3.983 0.282 -0.611 300 H MET 36 H MET 36 5.766 -0.084 2.041 301 HA MET 36 HA MET 36 8.557 -0.854 1.406 302 HB2 MET 36 2HB MET 36 7.150 -0.342 3.968 303 HB3 MET 36 1HB MET 36 8.271 -1.703 3.949 304 HG2 MET 36 2HG MET 36 9.880 0.019 2.770 305 HG3 MET 36 1HG MET 36 8.830 1.214 3.533 306 HE1 MET 36 3HE MET 36 9.315 2.210 5.377 307 HE2 MET 36 1HE MET 36 9.937 1.575 6.906 308 HE3 MET 36 2HE MET 36 8.328 1.121 6.349 309 H VAL 37 H VAL 37 8.455 -2.788 0.347 310 HA VAL 37 HA VAL 37 6.384 -4.779 1.216 311 HB VAL 37 HB VAL 37 7.843 -4.471 -1.429 312 HG11 VAL 37 1HG1 VAL 37 6.107 -6.008 -2.258 313 HG12 VAL 37 2HG1 VAL 37 5.413 -6.106 -0.639 314 HG13 VAL 37 3HG1 VAL 37 7.024 -6.754 -0.949 315 HG21 VAL 37 3HG2 VAL 37 4.940 -3.909 -1.214 316 HG22 VAL 37 1HG2 VAL 37 6.178 -3.083 -2.161 317 HG23 VAL 37 2HG2 VAL 37 5.996 -2.727 -0.443 318 H VAL 38 H VAL 38 7.205 -6.674 2.097 319 HA VAL 38 HA VAL 38 10.137 -7.186 1.720 320 HB VAL 38 HB VAL 38 9.801 -6.688 3.979 321 HG11 VAL 38 1HG1 VAL 38 7.788 -8.010 5.151 322 HG12 VAL 38 2HG1 VAL 38 7.132 -7.936 3.514 323 HG13 VAL 38 3HG1 VAL 38 7.540 -6.449 4.369 324 HG21 VAL 38 3HG2 VAL 38 9.311 -9.676 3.874 325 HG22 VAL 38 1HG2 VAL 38 10.056 -8.778 5.197 326 HG23 VAL 38 2HG2 VAL 38 10.888 -8.920 3.648 327 H ALA 39 H ALA 39 10.789 -9.397 1.605 328 HA ALA 39 HA ALA 39 8.888 -11.116 0.147 329 HB1 ALA 39 1HB ALA 39 11.390 -10.638 -0.339 330 HB2 ALA 39 2HB ALA 39 10.831 -12.307 -0.470 331 HB3 ALA 39 3HB ALA 39 11.712 -11.782 0.965 332 H SER 40 H SER 40 8.377 -13.277 0.821 333 HA SER 40 HA SER 40 8.018 -13.591 3.705 334 HB2 SER 40 2HB SER 40 7.352 -15.980 2.572 335 HB3 SER 40 1HB SER 40 6.275 -14.587 2.596 336 HG SER 40 HG SER 40 7.964 -15.518 0.532 337 H THR 41 H THR 41 8.620 -16.058 4.446 338 HA THR 41 HA THR 41 11.570 -16.232 4.085 339 HB THR 41 HB THR 41 11.398 -17.629 6.131 340 HG1 THR 41 1HG THR 41 8.731 -17.020 6.464 341 HG21 THR 41 3HG2 THR 41 10.378 -14.873 5.899 342 HG22 THR 41 1HG2 THR 41 11.630 -15.524 6.956 343 HG23 THR 41 2HG2 THR 41 9.931 -15.693 7.394 344 H THR 42 H THR 42 8.693 -18.378 4.051 345 HA THR 42 HA THR 42 10.326 -20.440 2.653 346 HB THR 42 HB THR 42 7.830 -20.366 4.310 347 HG1 THR 42 1HG THR 42 8.926 -22.067 5.298 348 HG21 THR 42 3HG2 THR 42 8.535 -22.636 2.423 349 HG22 THR 42 1HG2 THR 42 7.155 -21.555 2.232 350 HG23 THR 42 2HG2 THR 42 7.236 -22.644 3.615 351 HA PRO 43 HA PRO 43 6.702 -20.124 -0.398 352 HB2 PRO 43 2HB PRO 43 4.606 -18.457 0.152 353 HB3 PRO 43 1HB PRO 43 4.669 -20.141 0.709 354 HG2 PRO 43 2HG PRO 43 5.267 -17.633 2.199 355 HG3 PRO 43 1HG PRO 43 4.421 -19.092 2.739 356 HD2 PRO 43 2HD PRO 43 7.006 -18.552 3.375 357 HD3 PRO 43 1HD PRO 43 6.363 -20.202 3.221 358 H GLY 44 H GLY 44 5.366 -17.924 -1.503 359 HA2 GLY 44 2HA GLY 44 7.512 -15.910 -1.730 360 HA3 GLY 44 1HA GLY 44 6.504 -16.392 -3.089 361 H ARG 45 H ARG 45 5.506 -15.755 0.245 362 HA ARG 45 HA ARG 45 3.450 -13.860 -0.751 363 HB2 ARG 45 2HB ARG 45 3.959 -15.611 1.576 364 HB3 ARG 45 1HB ARG 45 3.160 -14.089 1.969 365 HG2 ARG 45 2HG ARG 45 1.261 -14.620 0.792 366 HG3 ARG 45 1HG ARG 45 2.141 -15.571 -0.404 367 HD2 ARG 45 2HD ARG 45 2.372 -17.427 1.147 368 HD3 ARG 45 1HD ARG 45 1.672 -16.463 2.464 369 HE ARG 45 HE ARG 45 -0.225 -16.309 0.448 370 HH11 ARG 45 1HH1 ARG 45 1.486 -18.888 1.977 371 HH12 ARG 45 2HH1 ARG 45 0.155 -19.994 1.891 372 HH21 ARG 45 1HH2 ARG 45 -1.989 -17.718 0.390 373 HH22 ARG 45 2HH2 ARG 45 -1.811 -19.333 0.993 374 H TYR 46 H TYR 46 3.587 -11.644 -0.402 375 HA TYR 46 HA TYR 46 5.922 -10.670 1.202 376 HB2 TYR 46 2HB TYR 46 4.441 -9.453 -1.129 377 HB3 TYR 46 1HB TYR 46 5.801 -8.714 -0.306 378 HD1 TYR 46 2HD TYR 46 4.816 -11.847 -2.097 379 HD2 TYR 46 1HD TYR 46 7.994 -9.196 -0.955 380 HE1 TYR 46 2HE TYR 46 6.405 -13.155 -3.481 381 HE2 TYR 46 1HE TYR 46 9.582 -10.504 -2.332 382 HH TYR 46 HH TYR 46 9.334 -13.352 -3.211 383 H GLU 47 H GLU 47 5.609 -8.777 2.432 384 HA GLU 47 HA GLU 47 2.826 -8.411 3.443 385 HB2 GLU 47 2HB GLU 47 5.403 -7.333 4.603 386 HB3 GLU 47 1HB GLU 47 3.895 -7.684 5.442 387 HG2 GLU 47 2HG GLU 47 5.604 -9.802 4.114 388 HG3 GLU 47 1HG GLU 47 5.702 -9.396 5.826 389 H VAL 48 H VAL 48 1.769 -6.692 2.475 390 HA VAL 48 HA VAL 48 3.352 -4.433 1.391 391 HB VAL 48 HB VAL 48 0.432 -5.237 1.299 392 HG11 VAL 48 1HG1 VAL 48 1.852 -2.880 0.029 393 HG12 VAL 48 2HG1 VAL 48 0.550 -2.811 1.217 394 HG13 VAL 48 3HG1 VAL 48 0.229 -3.418 -0.408 395 HG21 VAL 48 3HG2 VAL 48 2.345 -6.454 -0.012 396 HG22 VAL 48 1HG2 VAL 48 2.334 -5.007 -1.021 397 HG23 VAL 48 2HG2 VAL 48 0.879 -5.992 -0.876 398 H ASN 49 H ASN 49 3.860 -2.878 2.878 399 HA ASN 49 HA ASN 49 1.706 -1.902 4.693 400 HB2 ASN 49 2HB ASN 49 4.650 -2.424 5.246 401 HB3 ASN 49 1HB ASN 49 3.586 -1.555 6.353 402 HD21 ASN 49 1HD2 ASN 49 4.611 -4.701 5.359 403 HD22 ASN 49 2HD2 ASN 49 3.487 -5.591 6.266 404 H ILE 50 H ILE 50 1.276 -0.074 3.500 405 HA ILE 50 HA ILE 50 3.579 1.771 2.959 406 HB ILE 50 HB ILE 50 2.514 0.673 0.972 407 HG12 ILE 50 2HG1 ILE 50 2.521 3.642 1.447 408 HG13 ILE 50 1HG1 ILE 50 3.585 2.684 0.424 409 HG21 ILE 50 1HG2 ILE 50 0.177 1.102 2.348 410 HG22 ILE 50 2HG2 ILE 50 0.260 0.745 0.624 411 HG23 ILE 50 3HG2 ILE 50 0.137 2.417 1.173 412 HD11 ILE 50 3HD1 ILE 50 2.188 3.842 -1.090 413 HD12 ILE 50 1HD1 ILE 50 0.751 3.545 -0.112 414 HD13 ILE 50 2HD1 ILE 50 1.494 2.222 -1.007 415 H VAL 51 H VAL 51 3.228 3.980 3.301 416 HA VAL 51 HA VAL 51 0.959 4.650 5.112 417 HB VAL 51 HB VAL 51 3.236 5.098 5.880 418 HG11 VAL 51 1HG1 VAL 51 4.436 6.987 4.472 419 HG12 VAL 51 2HG1 VAL 51 3.444 6.349 3.162 420 HG13 VAL 51 3HG1 VAL 51 4.586 5.296 3.995 421 HG21 VAL 51 3HG2 VAL 51 1.664 6.742 6.633 422 HG22 VAL 51 1HG2 VAL 51 1.645 7.542 5.062 423 HG23 VAL 51 2HG2 VAL 51 3.078 7.641 6.084 424 H LEU 52 H LEU 52 -0.367 6.532 4.647 425 HA LEU 52 HA LEU 52 -0.536 7.132 1.741 426 HB2 LEU 52 2HB LEU 52 -2.301 7.352 4.164 427 HB3 LEU 52 1HB LEU 52 -2.685 8.297 2.725 428 HG LEU 52 HG LEU 52 -2.009 5.575 1.998 429 HD11 LEU 52 1HD1 LEU 52 -3.083 4.372 3.565 430 HD12 LEU 52 2HD1 LEU 52 -4.572 5.243 3.199 431 HD13 LEU 52 3HD1 LEU 52 -3.481 5.849 4.444 432 HD21 LEU 52 3HD2 LEU 52 -4.582 7.175 1.789 433 HD22 LEU 52 1HD2 LEU 52 -4.180 5.733 0.856 434 HD23 LEU 52 2HD2 LEU 52 -3.263 7.221 0.620 435 H ASN 53 H ASN 53 -1.268 9.540 1.339 436 HA ASN 53 HA ASN 53 0.838 11.326 1.742 437 HB2 ASN 53 2HB ASN 53 -2.014 11.380 1.018 438 HB3 ASN 53 1HB ASN 53 -1.431 12.912 1.663 439 HD21 ASN 53 1HD2 ASN 53 1.249 12.867 0.707 440 HD22 ASN 53 2HD2 ASN 53 1.228 12.919 -0.989 441 HA PRO 54 HA PRO 54 0.608 12.979 5.814 442 HB2 PRO 54 2HB PRO 54 0.069 15.666 5.544 443 HB3 PRO 54 1HB PRO 54 1.659 14.951 5.202 444 HG2 PRO 54 2HG PRO 54 -0.548 15.638 3.301 445 HG3 PRO 54 1HG PRO 54 1.194 15.948 3.160 446 HD2 PRO 54 2HD PRO 54 0.068 13.907 1.862 447 HD3 PRO 54 1HD PRO 54 1.676 13.740 2.599 448 H ASN 55 H ASN 55 -2.059 13.450 3.676 449 HA ASN 55 HA ASN 55 -3.949 13.260 5.975 450 HB2 ASN 55 2HB ASN 55 -3.753 15.632 5.419 451 HB3 ASN 55 1HB ASN 55 -3.990 15.281 3.706 452 HD21 ASN 55 1HD2 ASN 55 -5.743 14.206 6.682 453 HD22 ASN 55 2HD2 ASN 55 -7.274 14.676 6.121 454 H LEU 56 H LEU 56 -4.131 11.007 5.165 455 HA LEU 56 HA LEU 56 -4.892 10.444 2.432 456 HB2 LEU 56 2HB LEU 56 -5.185 8.199 3.282 457 HB3 LEU 56 1HB LEU 56 -3.805 8.905 4.117 458 HG LEU 56 HG LEU 56 -5.559 9.635 5.904 459 HD11 LEU 56 1HD1 LEU 56 -7.274 7.530 5.840 460 HD12 LEU 56 2HD1 LEU 56 -7.094 7.839 4.113 461 HD13 LEU 56 3HD1 LEU 56 -7.666 9.119 5.183 462 HD21 LEU 56 3HD2 LEU 56 -5.340 7.410 7.014 463 HD22 LEU 56 1HD2 LEU 56 -3.817 7.971 6.327 464 HD23 LEU 56 2HD2 LEU 56 -4.760 6.739 5.490 465 H ASP 57 H ASP 57 -7.038 8.900 2.409 466 HA ASP 57 HA ASP 57 -9.361 9.608 3.859 467 HB2 ASP 57 2HB ASP 57 -9.046 11.853 3.087 468 HB3 ASP 57 1HB ASP 57 -8.726 11.314 1.444 469 H GLN 58 H GLN 58 -11.383 9.039 2.539 470 HA GLN 58 HA GLN 58 -11.191 6.488 1.392 471 HB2 GLN 58 2HB GLN 58 -13.451 7.265 0.311 472 HB3 GLN 58 1HB GLN 58 -13.332 7.162 2.065 473 HG2 GLN 58 2HG GLN 58 -13.829 9.352 2.224 474 HG3 GLN 58 1HG GLN 58 -12.435 9.762 1.232 475 HE21 GLN 58 1HE2 GLN 58 -13.572 11.400 -0.002 476 HE22 GLN 58 2HE2 GLN 58 -14.795 10.998 -1.109 477 H SER 59 H SER 59 -11.650 9.552 -0.381 478 HA SER 59 HA SER 59 -11.414 8.485 -2.988 479 HB2 SER 59 2HB SER 59 -11.792 10.964 -1.717 480 HB3 SER 59 1HB SER 59 -10.361 11.178 -2.719 481 HG SER 59 HG SER 59 -12.698 11.396 -3.594 482 H GLN 60 H GLN 60 -8.988 9.549 -0.658 483 HA GLN 60 HA GLN 60 -6.739 9.612 -2.451 484 HB2 GLN 60 2HB GLN 60 -7.260 9.447 0.499 485 HB3 GLN 60 1HB GLN 60 -5.619 9.176 -0.079 486 HG2 GLN 60 2HG GLN 60 -7.214 11.570 -0.981 487 HG3 GLN 60 1HG GLN 60 -6.285 11.602 0.518 488 HE21 GLN 60 1HE2 GLN 60 -4.616 13.039 -0.203 489 HE22 GLN 60 2HE2 GLN 60 -3.530 12.637 -1.444 490 H LEU 61 H LEU 61 -8.015 7.055 -0.281 491 HA LEU 61 HA LEU 61 -5.992 5.113 -0.920 492 HB2 LEU 61 2HB LEU 61 -8.800 5.048 0.160 493 HB3 LEU 61 1HB LEU 61 -7.948 3.545 -0.211 494 HG LEU 61 HG LEU 61 -6.004 4.615 1.186 495 HD11 LEU 61 1HD1 LEU 61 -6.991 6.835 1.428 496 HD12 LEU 61 2HD1 LEU 61 -6.894 6.069 3.013 497 HD13 LEU 61 3HD1 LEU 61 -8.437 6.142 2.163 498 HD21 LEU 61 3HD2 LEU 61 -8.303 3.895 2.940 499 HD22 LEU 61 1HD2 LEU 61 -6.663 3.249 2.918 500 HD23 LEU 61 2HD2 LEU 61 -7.838 2.716 1.714 501 H ALA 62 H ALA 62 -9.074 5.982 -2.437 502 HA ALA 62 HA ALA 62 -9.468 3.795 -4.131 503 HB1 ALA 62 1HB ALA 62 -10.997 5.718 -3.878 504 HB2 ALA 62 2HB ALA 62 -10.604 5.475 -5.581 505 HB3 ALA 62 3HB ALA 62 -9.818 6.765 -4.669 506 H LEU 63 H LEU 63 -7.205 6.486 -4.348 507 HA LEU 63 HA LEU 63 -6.268 5.935 -6.991 508 HB2 LEU 63 2HB LEU 63 -5.288 7.389 -4.539 509 HB3 LEU 63 1HB LEU 63 -4.266 7.267 -5.965 510 HG LEU 63 HG LEU 63 -7.105 8.291 -6.082 511 HD11 LEU 63 1HD1 LEU 63 -5.868 10.554 -6.312 512 HD12 LEU 63 2HD1 LEU 63 -4.505 9.729 -5.552 513 HD13 LEU 63 3HD1 LEU 63 -6.037 9.878 -4.691 514 HD21 LEU 63 3HD2 LEU 63 -6.424 7.697 -8.250 515 HD22 LEU 63 1HD2 LEU 63 -4.746 8.155 -7.951 516 HD23 LEU 63 2HD2 LEU 63 -5.976 9.401 -8.168 517 H GLU 64 H GLU 64 -4.985 5.113 -3.747 518 HA GLU 64 HA GLU 64 -2.880 3.443 -4.825 519 HB2 GLU 64 2HB GLU 64 -4.213 3.663 -2.105 520 HB3 GLU 64 1HB GLU 64 -2.761 2.711 -2.407 521 HG2 GLU 64 2HG GLU 64 -1.585 4.736 -3.181 522 HG3 GLU 64 1HG GLU 64 -3.035 5.694 -2.881 523 H LYS 65 H LYS 65 -6.201 2.878 -3.709 524 HA LYS 65 HA LYS 65 -6.007 -0.018 -3.848 525 HB2 LYS 65 2HB LYS 65 -7.884 2.043 -3.111 526 HB3 LYS 65 1HB LYS 65 -8.690 0.872 -4.152 527 HG2 LYS 65 2HG LYS 65 -8.790 0.277 -1.715 528 HG3 LYS 65 1HG LYS 65 -8.018 -0.960 -2.709 529 HD2 LYS 65 2HD LYS 65 -6.052 0.968 -1.854 530 HD3 LYS 65 1HD LYS 65 -6.926 0.348 -0.453 531 HE2 LYS 65 2HE LYS 65 -6.093 -1.778 -0.711 532 HE3 LYS 65 1HE LYS 65 -6.107 -1.675 -2.483 533 HZ1 LYS 65 3HZ LYS 65 -4.352 0.218 -1.934 534 HZ2 LYS 65 1HZ LYS 65 -3.893 -1.399 -2.159 535 HZ3 LYS 65 2HZ LYS 65 -4.076 -0.778 -0.587 536 H GLU 66 H GLU 66 -7.317 2.483 -6.068 537 HA GLU 66 HA GLU 66 -8.149 0.550 -8.031 538 HB2 GLU 66 2HB GLU 66 -8.795 2.464 -9.248 539 HB3 GLU 66 1HB GLU 66 -8.874 3.013 -7.576 540 HG2 GLU 66 2HG GLU 66 -6.591 3.964 -7.792 541 HG3 GLU 66 1HG GLU 66 -6.550 3.448 -9.478 542 H ILE 67 H ILE 67 -5.246 2.530 -7.552 543 HA ILE 67 HA ILE 67 -4.027 1.753 -10.067 544 HB ILE 67 HB ILE 67 -2.966 3.031 -7.530 545 HG12 ILE 67 2HG1 ILE 67 -4.842 4.279 -8.477 546 HG13 ILE 67 1HG1 ILE 67 -3.352 5.144 -8.847 547 HG21 ILE 67 1HG2 ILE 67 -1.314 2.045 -9.264 548 HG22 ILE 67 2HG2 ILE 67 -1.091 3.727 -8.785 549 HG23 ILE 67 3HG2 ILE 67 -1.868 3.344 -10.321 550 HD11 ILE 67 3HD1 ILE 67 -4.678 5.067 -10.846 551 HD12 ILE 67 1HD1 ILE 67 -4.957 3.338 -10.655 552 HD13 ILE 67 2HD1 ILE 67 -3.345 3.931 -11.064 553 H ILE 68 H ILE 68 -3.667 0.686 -6.656 554 HA ILE 68 HA ILE 68 -1.446 -1.090 -7.221 555 HB ILE 68 HB ILE 68 -3.520 -0.918 -5.014 556 HG12 ILE 68 2HG1 ILE 68 -0.576 -0.215 -4.959 557 HG13 ILE 68 1HG1 ILE 68 -1.818 0.960 -5.393 558 HG21 ILE 68 1HG2 ILE 68 -1.409 -2.906 -5.567 559 HG22 ILE 68 2HG2 ILE 68 -2.827 -3.030 -4.526 560 HG23 ILE 68 3HG2 ILE 68 -1.370 -2.230 -3.939 561 HD11 ILE 68 3HD1 ILE 68 -2.968 0.244 -3.182 562 HD12 ILE 68 1HD1 ILE 68 -1.550 1.287 -3.075 563 HD13 ILE 68 2HD1 ILE 68 -1.401 -0.442 -2.759 564 H GLN 69 H GLN 69 -4.959 -1.628 -6.819 565 HA GLN 69 HA GLN 69 -4.956 -4.445 -7.240 566 HB2 GLN 69 2HB GLN 69 -6.922 -2.185 -7.565 567 HB3 GLN 69 1HB GLN 69 -7.384 -3.831 -8.000 568 HG2 GLN 69 2HG GLN 69 -6.094 -3.305 -5.338 569 HG3 GLN 69 1HG GLN 69 -7.815 -2.986 -5.555 570 HE21 GLN 69 1HE2 GLN 69 -8.727 -4.770 -4.442 571 HE22 GLN 69 2HE2 GLN 69 -8.413 -6.388 -4.845 572 H ARG 70 H ARG 70 -5.011 -1.738 -9.546 573 HA ARG 70 HA ARG 70 -5.687 -3.269 -11.856 574 HB2 ARG 70 2HB ARG 70 -5.042 -0.600 -11.108 575 HB3 ARG 70 1HB ARG 70 -4.020 -1.028 -12.481 576 HG2 ARG 70 2HG ARG 70 -5.792 -1.211 -13.917 577 HG3 ARG 70 1HG ARG 70 -6.862 -1.862 -12.676 578 HD2 ARG 70 2HD ARG 70 -7.826 0.206 -12.677 579 HD3 ARG 70 1HD ARG 70 -6.378 0.735 -11.796 580 HE ARG 70 HE ARG 70 -5.366 1.336 -13.974 581 HH11 ARG 70 1HH1 ARG 70 -8.157 2.689 -13.634 582 HH12 ARG 70 2HH1 ARG 70 -8.759 2.533 -15.251 583 HH21 ARG 70 1HH2 ARG 70 -6.378 0.201 -16.199 584 HH22 ARG 70 2HH2 ARG 70 -7.753 1.127 -16.702 585 H ALA 71 H ALA 71 -2.519 -2.342 -10.475 586 HA ALA 71 HA ALA 71 -0.969 -3.463 -12.606 587 HB1 ALA 71 1HB ALA 71 -0.622 -2.226 -9.976 588 HB2 ALA 71 2HB ALA 71 0.359 -2.055 -11.431 589 HB3 ALA 71 3HB ALA 71 0.623 -3.420 -10.345 590 H LEU 72 H LEU 72 -1.736 -4.698 -9.340 591 HA LEU 72 HA LEU 72 -0.323 -7.129 -9.483 592 HB2 LEU 72 2HB LEU 72 -2.881 -6.307 -8.092 593 HB3 LEU 72 1HB LEU 72 -2.025 -7.808 -7.735 594 HG LEU 72 HG LEU 72 -0.565 -5.181 -7.683 595 HD11 LEU 72 1HD1 LEU 72 -2.484 -4.845 -6.216 596 HD12 LEU 72 2HD1 LEU 72 -1.043 -5.098 -5.231 597 HD13 LEU 72 3HD1 LEU 72 -2.205 -6.409 -5.446 598 HD21 LEU 72 3HD2 LEU 72 0.615 -6.589 -5.821 599 HD22 LEU 72 1HD2 LEU 72 0.922 -6.992 -7.510 600 HD23 LEU 72 2HD2 LEU 72 -0.214 -7.954 -6.566 601 H GLU 73 H GLU 73 -3.576 -6.341 -10.640 602 HA GLU 73 HA GLU 73 -4.386 -9.002 -11.261 603 HB2 GLU 73 2HB GLU 73 -6.118 -7.516 -11.019 604 HB3 GLU 73 1HB GLU 73 -5.186 -6.169 -11.624 605 HG2 GLU 73 2HG GLU 73 -5.534 -6.788 -13.868 606 HG3 GLU 73 1HG GLU 73 -6.143 -8.386 -13.435 607 H ASN 74 H ASN 74 -3.189 -6.277 -13.144 608 HA ASN 74 HA ASN 74 -3.139 -7.530 -15.684 609 HB2 ASN 74 2HB ASN 74 -2.766 -5.048 -14.772 610 HB3 ASN 74 1HB ASN 74 -1.071 -5.522 -14.885 611 HD21 ASN 74 1HD2 ASN 74 -2.316 -3.523 -16.606 612 HD22 ASN 74 2HD2 ASN 74 -2.261 -4.120 -18.194 613 H TYR 75 H TYR 75 -0.735 -7.346 -13.060 614 HA TYR 75 HA TYR 75 1.313 -8.750 -14.574 615 HB2 TYR 75 2HB TYR 75 1.136 -7.159 -12.350 616 HB3 TYR 75 1HB TYR 75 1.402 -8.747 -11.641 617 HD1 TYR 75 2HD TYR 75 3.455 -10.040 -12.179 618 HD2 TYR 75 1HD TYR 75 2.767 -6.114 -13.770 619 HE1 TYR 75 2HE TYR 75 5.833 -9.911 -12.885 620 HE2 TYR 75 1HE TYR 75 5.141 -5.983 -14.480 621 HH TYR 75 HH TYR 75 6.978 -7.458 -14.999 622 H GLY 76 H GLY 76 -1.170 -9.683 -12.225 623 HA2 GLY 76 2HA GLY 76 -2.129 -11.953 -12.487 624 HA3 GLY 76 1HA GLY 76 -0.485 -12.506 -12.767 625 H ALA 77 H ALA 77 -1.057 -10.098 -10.342 626 HA ALA 77 HA ALA 77 -0.373 -12.120 -8.243 627 HB1 ALA 77 1HB ALA 77 1.241 -10.349 -8.452 628 HB2 ALA 77 2HB ALA 77 0.298 -9.989 -7.006 629 HB3 ALA 77 3HB ALA 77 -0.025 -9.122 -8.506 630 H ARG 78 H ARG 78 -1.974 -12.627 -6.802 631 HA ARG 78 HA ARG 78 -4.301 -10.744 -6.572 632 HB2 ARG 78 2HB ARG 78 -4.016 -13.749 -6.602 633 HB3 ARG 78 1HB ARG 78 -5.462 -12.980 -5.947 634 HG2 ARG 78 2HG ARG 78 -5.759 -11.769 -8.101 635 HG3 ARG 78 1HG ARG 78 -4.362 -12.629 -8.751 636 HD2 ARG 78 2HD ARG 78 -5.625 -14.793 -8.075 637 HD3 ARG 78 1HD ARG 78 -7.058 -13.750 -7.975 638 HE ARG 78 HE ARG 78 -5.763 -13.115 -10.402 639 HH11 ARG 78 1HH1 ARG 78 -6.947 -15.981 -8.913 640 HH12 ARG 78 2HH1 ARG 78 -7.642 -16.612 -10.369 641 HH21 ARG 78 1HH2 ARG 78 -6.807 -13.848 -12.284 642 HH22 ARG 78 2HH2 ARG 78 -7.563 -15.406 -12.276 643 H VAL 79 H VAL 79 -4.872 -10.115 -4.497 644 HA VAL 79 HA VAL 79 -3.097 -10.925 -2.279 645 HB VAL 79 HB VAL 79 -5.424 -9.035 -2.060 646 HG11 VAL 79 1HG1 VAL 79 -4.128 -8.019 -0.413 647 HG12 VAL 79 2HG1 VAL 79 -2.610 -8.549 -1.138 648 HG13 VAL 79 3HG1 VAL 79 -3.615 -9.699 -0.258 649 HG21 VAL 79 3HG2 VAL 79 -3.490 -7.348 -2.903 650 HG22 VAL 79 1HG2 VAL 79 -4.681 -8.045 -3.998 651 HG23 VAL 79 2HG2 VAL 79 -3.075 -8.760 -3.869 652 H GLU 80 H GLU 80 -3.711 -12.695 -1.104 653 HA GLU 80 HA GLU 80 -6.472 -13.674 -1.168 654 HB2 GLU 80 2HB GLU 80 -5.072 -15.477 -1.081 655 HB3 GLU 80 1HB GLU 80 -3.751 -14.521 -0.413 656 HG2 GLU 80 2HG GLU 80 -4.527 -14.793 1.803 657 HG3 GLU 80 1HG GLU 80 -6.122 -15.332 1.275 658 H LYS 81 H LYS 81 -4.796 -11.364 0.644 659 HA LYS 81 HA LYS 81 -6.757 -11.574 2.886 660 HB2 LYS 81 2HB LYS 81 -4.874 -11.125 4.349 661 HB3 LYS 81 1HB LYS 81 -4.459 -12.470 3.286 662 HG2 LYS 81 2HG LYS 81 -2.603 -11.282 2.801 663 HG3 LYS 81 1HG LYS 81 -3.671 -10.315 1.785 664 HD2 LYS 81 2HD LYS 81 -2.459 -8.796 3.222 665 HD3 LYS 81 1HD LYS 81 -4.124 -8.861 3.801 666 HE2 LYS 81 2HE LYS 81 -2.624 -10.961 5.078 667 HE3 LYS 81 1HE LYS 81 -1.773 -9.418 5.294 668 HZ1 LYS 81 3HZ LYS 81 -3.361 -9.378 6.970 669 HZ2 LYS 81 1HZ LYS 81 -4.553 -10.108 6.008 670 HZ3 LYS 81 2HZ LYS 81 -4.110 -8.491 5.730 671 H VAL 82 H VAL 82 -7.709 -9.614 3.397 672 HA VAL 82 HA VAL 82 -6.390 -7.075 2.546 673 HB VAL 82 HB VAL 82 -7.907 -7.622 0.748 674 HG11 VAL 82 1HG1 VAL 82 -9.386 -8.860 2.875 675 HG12 VAL 82 2HG1 VAL 82 -9.636 -9.008 1.136 676 HG13 VAL 82 3HG1 VAL 82 -10.443 -7.725 2.036 677 HG21 VAL 82 3HG2 VAL 82 -9.498 -5.774 2.535 678 HG22 VAL 82 1HG2 VAL 82 -9.340 -5.723 0.781 679 HG23 VAL 82 2HG2 VAL 82 -7.973 -5.276 1.801 680 H GLU 83 H GLU 83 -6.121 -6.166 4.587 681 HA GLU 83 HA GLU 83 -8.524 -6.136 6.387 682 HB2 GLU 83 2HB GLU 83 -6.230 -7.521 6.783 683 HB3 GLU 83 1HB GLU 83 -5.792 -5.987 7.535 684 HG2 GLU 83 2HG GLU 83 -8.225 -6.246 8.606 685 HG3 GLU 83 1HG GLU 83 -7.890 -7.956 8.329 686 H GLU 84 H GLU 84 -9.241 -4.013 6.299 687 HA GLU 84 HA GLU 84 -7.421 -1.769 5.967 688 HB2 GLU 84 2HB GLU 84 -9.745 -1.915 5.044 689 HB3 GLU 84 1HB GLU 84 -10.363 -1.895 6.697 690 HG2 GLU 84 2HG GLU 84 -10.391 0.358 6.508 691 HG3 GLU 84 1HG GLU 84 -8.633 0.275 6.638 692 H LEU 85 H LEU 85 -6.181 -1.174 7.743 693 HA LEU 85 HA LEU 85 -7.114 -1.774 10.464 694 HB2 LEU 85 2HB LEU 85 -4.631 -0.749 9.129 695 HB3 LEU 85 1HB LEU 85 -4.810 -0.558 10.875 696 HG LEU 85 HG LEU 85 -5.576 -3.143 10.601 697 HD11 LEU 85 1HD1 LEU 85 -4.494 -2.485 8.081 698 HD12 LEU 85 2HD1 LEU 85 -4.879 -4.098 8.684 699 HD13 LEU 85 3HD1 LEU 85 -3.256 -3.440 8.896 700 HD21 LEU 85 3HD2 LEU 85 -3.727 -2.002 12.017 701 HD22 LEU 85 1HD2 LEU 85 -2.642 -2.432 10.694 702 HD23 LEU 85 2HD2 LEU 85 -3.493 -3.695 11.582 703 H GLY 86 H GLY 86 -8.597 0.297 8.873 704 HA2 GLY 86 2HA GLY 86 -9.806 2.158 9.825 705 HA3 GLY 86 1HA GLY 86 -8.463 2.430 10.930 706 H LEU 87 H LEU 87 -8.883 4.706 10.102 707 HA LEU 87 HA LEU 87 -7.145 5.243 7.773 708 HB2 LEU 87 2HB LEU 87 -10.015 5.907 8.246 709 HB3 LEU 87 1HB LEU 87 -9.033 7.098 7.397 710 HG LEU 87 HG LEU 87 -8.287 4.797 6.121 711 HD11 LEU 87 1HD1 LEU 87 -10.810 3.966 5.616 712 HD12 LEU 87 2HD1 LEU 87 -10.985 4.417 7.312 713 HD13 LEU 87 3HD1 LEU 87 -9.784 3.215 6.839 714 HD21 LEU 87 3HD2 LEU 87 -10.276 6.966 5.609 715 HD22 LEU 87 1HD2 LEU 87 -10.277 5.590 4.507 716 HD23 LEU 87 2HD2 LEU 87 -8.813 6.550 4.715 717 H ARG 88 H ARG 88 -7.471 8.012 7.786 718 HA ARG 88 HA ARG 88 -5.849 8.790 10.043 719 HB2 ARG 88 2HB ARG 88 -5.950 10.984 8.864 720 HB3 ARG 88 1HB ARG 88 -5.548 9.663 7.768 721 HG2 ARG 88 2HG ARG 88 -7.265 10.412 6.497 722 HG3 ARG 88 1HG ARG 88 -8.313 9.682 7.713 723 HD2 ARG 88 2HD ARG 88 -8.261 11.851 8.985 724 HD3 ARG 88 1HD ARG 88 -7.371 12.568 7.626 725 HE ARG 88 HE ARG 88 -9.713 11.181 6.676 726 HH11 ARG 88 1HH1 ARG 88 -8.885 13.809 5.597 727 HH12 ARG 88 2HH1 ARG 88 -10.090 14.880 6.230 728 HH21 ARG 88 1HH2 ARG 88 -11.176 12.649 8.653 729 HH22 ARG 88 2HH2 ARG 88 -11.388 14.222 7.961 730 H ARG 89 H ARG 89 -6.535 9.832 11.902 731 HA ARG 89 HA ARG 89 -9.330 10.897 11.984 732 HB2 ARG 89 2HB ARG 89 -8.009 8.741 13.515 733 HB3 ARG 89 1HB ARG 89 -8.941 9.879 14.485 734 HG2 ARG 89 2HG ARG 89 -10.163 8.792 11.974 735 HG3 ARG 89 1HG ARG 89 -10.123 7.767 13.409 736 HD2 ARG 89 2HD ARG 89 -11.467 9.259 14.662 737 HD3 ARG 89 1HD ARG 89 -11.150 10.608 13.552 738 HE ARG 89 HE ARG 89 -12.312 8.830 11.867 739 HH11 ARG 89 1HH1 ARG 89 -13.179 8.245 14.981 740 HH12 ARG 89 2HH1 ARG 89 -14.845 8.691 14.824 741 HH21 ARG 89 1HH2 ARG 89 -14.450 10.098 11.680 742 HH22 ARG 89 2HH2 ARG 89 -15.564 9.739 12.957 743 H LEU 90 H LEU 90 -6.926 12.327 11.625 744 HA LEU 90 HA LEU 90 -5.553 13.398 13.779 745 HB2 LEU 90 2HB LEU 90 -5.313 13.980 11.367 746 HB3 LEU 90 1HB LEU 90 -6.803 14.920 11.467 747 HG LEU 90 HG LEU 90 -4.815 15.574 13.544 748 HD11 LEU 90 1HD1 LEU 90 -3.317 16.784 12.076 749 HD12 LEU 90 2HD1 LEU 90 -4.284 16.358 10.665 750 HD13 LEU 90 3HD1 LEU 90 -3.381 15.111 11.524 751 HD21 LEU 90 3HD2 LEU 90 -6.080 17.438 13.528 752 HD22 LEU 90 1HD2 LEU 90 -7.053 16.728 12.240 753 HD23 LEU 90 2HD2 LEU 90 -5.664 17.738 11.840 754 H ALA 91 H ALA 91 -6.546 13.832 15.742 755 HA ALA 91 HA ALA 91 -8.556 16.013 15.799 756 HB1 ALA 91 1HB ALA 91 -9.240 13.274 15.877 757 HB2 ALA 91 2HB ALA 91 -10.294 14.637 16.252 758 HB3 ALA 91 3HB ALA 91 -9.384 13.846 17.539 759 H TYR 92 H TYR 92 -8.788 16.897 18.008 760 HA TYR 92 HA TYR 92 -6.327 16.460 19.627 761 HB2 TYR 92 2HB TYR 92 -8.063 18.659 18.885 762 HB3 TYR 92 1HB TYR 92 -7.892 18.579 20.639 763 HD1 TYR 92 1HD TYR 92 -5.516 17.699 17.879 764 HD2 TYR 92 2HD TYR 92 -6.322 20.196 21.280 765 HE1 TYR 92 1HE TYR 92 -3.241 18.670 17.706 766 HE2 TYR 92 2HE TYR 92 -4.047 21.168 21.106 767 HH TYR 92 HH TYR 92 -2.260 21.230 18.650 768 HA PRO 93 HA PRO 93 -8.829 14.206 22.525 769 HB2 PRO 93 2HB PRO 93 -6.912 13.932 24.457 770 HB3 PRO 93 1HB PRO 93 -6.929 12.961 22.972 771 HG2 PRO 93 2HG PRO 93 -5.278 15.333 23.665 772 HG3 PRO 93 1HG PRO 93 -4.846 13.884 22.743 773 HD2 PRO 93 2HD PRO 93 -5.443 16.309 21.608 774 HD3 PRO 93 1HD PRO 93 -5.628 14.746 20.782 775 H ILE 94 H ILE 94 -10.225 16.068 23.010 776 HA ILE 94 HA ILE 94 -9.300 17.947 25.112 777 HB ILE 94 HB ILE 94 -11.376 19.114 24.552 778 HG12 ILE 94 2HG1 ILE 94 -11.995 16.775 22.724 779 HG13 ILE 94 1HG1 ILE 94 -12.720 16.983 24.318 780 HG21 ILE 94 1HG2 ILE 94 -10.088 19.878 22.859 781 HG22 ILE 94 2HG2 ILE 94 -10.955 18.738 21.830 782 HG23 ILE 94 3HG2 ILE 94 -9.414 18.278 22.551 783 HD11 ILE 94 3HD1 ILE 94 -14.221 18.431 23.485 784 HD12 ILE 94 1HD1 ILE 94 -13.564 18.147 21.874 785 HD13 ILE 94 2HD1 ILE 94 -12.926 19.456 22.869 786 H ALA 95 H ALA 95 -10.048 17.860 27.229 787 HA ALA 95 HA ALA 95 -11.375 15.418 28.129 788 HB1 ALA 95 1HB ALA 95 -10.802 17.956 29.679 789 HB2 ALA 95 2HB ALA 95 -9.542 16.788 29.280 790 HB3 ALA 95 3HB ALA 95 -10.896 16.309 30.303 791 H LYS 96 H LYS 96 -13.563 15.288 27.642 792 HA LYS 96 HA LYS 96 -15.280 17.680 27.708 793 HB2 LYS 96 2HB LYS 96 -15.393 15.777 26.039 794 HB3 LYS 96 1HB LYS 96 -15.982 14.751 27.347 795 HG2 LYS 96 2HG LYS 96 -18.055 15.658 27.268 796 HG3 LYS 96 1HG LYS 96 -17.419 17.300 27.157 797 HD2 LYS 96 2HD LYS 96 -17.574 15.324 24.860 798 HD3 LYS 96 1HD LYS 96 -18.670 16.682 25.113 799 HE2 LYS 96 2HE LYS 96 -15.791 17.389 25.146 800 HE3 LYS 96 1HE LYS 96 -16.426 16.858 23.577 801 HZ1 LYS 96 3HZ LYS 96 -16.772 19.259 24.003 802 HZ2 LYS 96 1HZ LYS 96 -17.752 18.857 25.329 803 HZ3 LYS 96 2HZ LYS 96 -18.222 18.408 23.759 Start of MODEL 18 1 H1 MET 1 1HT MET 1 4.076 10.426 13.135 2 H2 MET 1 2HT MET 1 2.658 9.995 13.966 3 H3 MET 1 3HT MET 1 3.855 10.916 14.744 4 HA MET 1 HA MET 1 1.803 12.161 13.913 5 HB2 MET 1 2HB MET 1 4.285 12.852 14.552 6 HB3 MET 1 1HB MET 1 4.392 13.218 12.829 7 HG2 MET 1 2HG MET 1 2.649 14.817 12.943 8 HG3 MET 1 1HG MET 1 2.103 14.232 14.515 9 HE1 MET 1 2HE MET 1 5.107 14.197 16.346 10 HE2 MET 1 3HE MET 1 3.352 14.054 16.400 11 HE3 MET 1 1HE MET 1 4.152 15.467 17.104 12 H ASP 2 H ASP 2 4.260 11.243 11.461 13 HA ASP 2 HA ASP 2 2.684 12.288 9.255 14 HB2 ASP 2 2HB ASP 2 4.456 11.196 7.914 15 HB3 ASP 2 1HB ASP 2 5.136 12.136 9.242 16 HA PRO 3 HA PRO 3 1.446 7.734 8.756 17 HB2 PRO 3 2HB PRO 3 1.430 6.157 10.985 18 HB3 PRO 3 1HB PRO 3 2.862 6.350 9.957 19 HG2 PRO 3 2HG PRO 3 2.334 7.403 12.633 20 HG3 PRO 3 1HG PRO 3 3.873 7.163 11.798 21 HD2 PRO 3 2HD PRO 3 2.410 9.593 12.149 22 HD3 PRO 3 1HD PRO 3 3.953 9.357 11.307 23 H GLN 4 H GLN 4 -0.083 9.996 9.611 24 HA GLN 4 HA GLN 4 -1.943 9.802 11.634 25 HB2 GLN 4 2HB GLN 4 -1.850 10.838 8.888 26 HB3 GLN 4 1HB GLN 4 -3.482 10.501 9.444 27 HG2 GLN 4 2HG GLN 4 -3.161 12.698 10.185 28 HG3 GLN 4 1HG GLN 4 -2.760 11.749 11.613 29 HE21 GLN 4 1HE2 GLN 4 -0.521 11.925 8.834 30 HE22 GLN 4 2HE2 GLN 4 0.648 12.850 9.639 31 H GLY 5 H GLY 5 -2.776 8.599 8.387 32 HA2 GLY 5 2HA GLY 5 -4.484 6.539 9.692 33 HA3 GLY 5 1HA GLY 5 -4.726 7.159 8.063 34 H TYR 6 H TYR 6 -1.480 6.339 9.116 35 HA TYR 6 HA TYR 6 -1.084 4.535 6.927 36 HB2 TYR 6 2HB TYR 6 0.826 5.538 7.870 37 HB3 TYR 6 1HB TYR 6 0.310 5.196 9.517 38 HD1 TYR 6 2HD TYR 6 0.139 2.697 6.796 39 HD2 TYR 6 1HD TYR 6 2.364 4.090 10.196 40 HE1 TYR 6 2HE TYR 6 1.466 0.603 6.785 41 HE2 TYR 6 1HE TYR 6 3.690 1.994 10.185 42 HH TYR 6 HH TYR 6 4.305 0.213 8.715 43 H PHE 7 H PHE 7 -2.673 2.871 6.923 44 HA PHE 7 HA PHE 7 -2.225 0.762 8.909 45 HB2 PHE 7 2HB PHE 7 -4.480 2.639 8.916 46 HB3 PHE 7 1HB PHE 7 -4.972 0.946 8.984 47 HD1 PHE 7 2HD PHE 7 -2.703 -0.275 10.441 48 HD2 PHE 7 1HD PHE 7 -4.770 3.429 11.124 49 HE1 PHE 7 2HE PHE 7 -2.069 -0.363 12.838 50 HE2 PHE 7 1HE PHE 7 -4.136 3.341 13.519 51 HZ PHE 7 HZ PHE 7 -2.785 1.446 14.377 52 H LEU 8 H LEU 8 -1.989 1.073 5.953 53 HA LEU 8 HA LEU 8 -4.076 -0.798 5.029 54 HB2 LEU 8 2HB LEU 8 -2.229 1.189 3.733 55 HB3 LEU 8 1HB LEU 8 -3.051 -0.040 2.768 56 HG LEU 8 HG LEU 8 -5.191 0.771 4.041 57 HD11 LEU 8 1HD1 LEU 8 -4.848 3.376 4.319 58 HD12 LEU 8 2HD1 LEU 8 -3.165 2.920 4.580 59 HD13 LEU 8 3HD1 LEU 8 -4.425 2.285 5.639 60 HD21 LEU 8 3HD2 LEU 8 -4.831 1.019 1.630 61 HD22 LEU 8 1HD2 LEU 8 -3.815 2.433 1.908 62 HD23 LEU 8 2HD2 LEU 8 -5.536 2.494 2.284 63 H TRP 9 H TRP 9 -3.488 -2.922 4.773 64 HA TRP 9 HA TRP 9 -0.572 -3.532 4.390 65 HB2 TRP 9 2HB TRP 9 -2.061 -4.046 6.595 66 HB3 TRP 9 1HB TRP 9 -2.387 -5.508 5.667 67 HD1 TRP 9 HD TRP 9 0.316 -6.054 4.299 68 HE1 TRP 9 1HE TRP 9 2.411 -6.683 5.667 69 HE3 TRP 9 3HE TRP 9 -1.021 -4.199 8.867 70 HZ2 TRP 9 2HZ TRP 9 3.387 -6.434 8.343 71 HZ3 TRP 9 3HZ TRP 9 0.508 -4.408 10.805 72 HH2 TRP 9 HH TRP 9 2.709 -5.522 10.549 73 H TYR 10 H TYR 10 -0.178 -4.620 2.506 74 HA TYR 10 HA TYR 10 -2.442 -6.139 1.245 75 HB2 TYR 10 2HB TYR 10 -0.200 -4.491 0.033 76 HB3 TYR 10 1HB TYR 10 -1.359 -5.433 -0.904 77 HD1 TYR 10 1HD TYR 10 -3.890 -4.961 -0.434 78 HD2 TYR 10 2HD TYR 10 -0.703 -2.278 0.612 79 HE1 TYR 10 1HE TYR 10 -5.507 -3.083 -0.326 80 HE2 TYR 10 2HE TYR 10 -2.318 -0.401 0.723 81 HH TYR 10 HH TYR 10 -4.460 0.222 -0.017 82 H GLN 11 H GLN 11 -1.979 -8.299 1.146 83 HA GLN 11 HA GLN 11 0.854 -9.160 1.102 84 HB2 GLN 11 2HB GLN 11 -0.734 -9.762 3.014 85 HB3 GLN 11 1HB GLN 11 -1.584 -10.776 1.848 86 HG2 GLN 11 2HG GLN 11 0.343 -12.149 1.496 87 HG3 GLN 11 1HG GLN 11 1.389 -11.017 2.353 88 HE21 GLN 11 1HE2 GLN 11 -1.812 -12.447 3.210 89 HE22 GLN 11 2HE2 GLN 11 -1.302 -13.055 4.711 90 H VAL 12 H VAL 12 1.313 -11.082 -0.300 91 HA VAL 12 HA VAL 12 -0.708 -11.471 -2.474 92 HB VAL 12 HB VAL 12 1.025 -11.155 -4.134 93 HG11 VAL 12 1HG1 VAL 12 1.529 -8.826 -3.806 94 HG12 VAL 12 2HG1 VAL 12 1.363 -8.985 -2.056 95 HG13 VAL 12 3HG1 VAL 12 -0.055 -9.133 -3.096 96 HG21 VAL 12 3HG2 VAL 12 3.346 -10.564 -3.437 97 HG22 VAL 12 1HG2 VAL 12 2.888 -12.194 -2.942 98 HG23 VAL 12 2HG2 VAL 12 2.896 -10.885 -1.761 99 H GLU 13 H GLU 13 0.364 -13.278 -4.011 100 HA GLU 13 HA GLU 13 1.674 -15.394 -2.367 101 HB2 GLU 13 2HB GLU 13 -0.803 -15.573 -2.132 102 HB3 GLU 13 1HB GLU 13 -0.933 -15.736 -3.884 103 HG2 GLU 13 2HG GLU 13 0.817 -17.682 -3.523 104 HG3 GLU 13 1HG GLU 13 0.178 -17.667 -1.878 105 H MET 14 H MET 14 3.014 -14.079 -4.333 106 HA MET 14 HA MET 14 3.021 -16.052 -6.591 107 HB2 MET 14 2HB MET 14 3.504 -13.053 -6.699 108 HB3 MET 14 1HB MET 14 3.504 -14.154 -8.078 109 HG2 MET 14 2HG MET 14 1.079 -14.503 -6.559 110 HG3 MET 14 1HG MET 14 1.283 -12.801 -6.977 111 HE1 MET 14 3HE MET 14 1.526 -16.281 -7.893 112 HE2 MET 14 1HE MET 14 2.385 -16.112 -9.430 113 HE3 MET 14 2HE MET 14 0.663 -16.483 -9.416 114 HA PRO 15 HA PRO 15 7.243 -16.633 -5.606 115 HB2 PRO 15 2HB PRO 15 8.278 -17.119 -8.089 116 HB3 PRO 15 1HB PRO 15 7.342 -18.287 -7.173 117 HG2 PRO 15 2HG PRO 15 6.494 -16.508 -9.395 118 HG3 PRO 15 1HG PRO 15 6.033 -18.187 -9.071 119 HD2 PRO 15 2HD PRO 15 4.410 -16.092 -8.507 120 HD3 PRO 15 1HD PRO 15 4.413 -17.590 -7.548 121 H GLU 16 H GLU 16 9.439 -16.217 -6.952 122 HA GLU 16 HA GLU 16 10.099 -13.470 -6.642 123 HB2 GLU 16 2HB GLU 16 11.497 -15.686 -6.769 124 HB3 GLU 16 1HB GLU 16 11.490 -15.383 -8.505 125 HG2 GLU 16 2HG GLU 16 12.369 -13.316 -6.471 126 HG3 GLU 16 1HG GLU 16 13.489 -14.422 -7.268 127 H ASP 17 H ASP 17 8.812 -15.385 -9.237 128 HA ASP 17 HA ASP 17 9.397 -13.789 -11.496 129 HB2 ASP 17 2HB ASP 17 8.286 -16.093 -11.273 130 HB3 ASP 17 1HB ASP 17 6.785 -15.219 -10.963 131 H ARG 18 H ARG 18 7.088 -13.323 -8.906 132 HA ARG 18 HA ARG 18 5.648 -11.169 -10.316 133 HB2 ARG 18 2HB ARG 18 4.155 -11.344 -8.497 134 HB3 ARG 18 1HB ARG 18 4.767 -12.985 -8.684 135 HG2 ARG 18 2HG ARG 18 5.339 -12.883 -6.500 136 HG3 ARG 18 1HG ARG 18 6.625 -11.783 -6.995 137 HD2 ARG 18 2HD ARG 18 5.087 -9.856 -6.705 138 HD3 ARG 18 1HD ARG 18 3.818 -10.969 -6.158 139 HE ARG 18 HE ARG 18 5.121 -11.434 -4.181 140 HH11 ARG 18 1HH1 ARG 18 7.834 -11.214 -5.538 141 HH12 ARG 18 2HH1 ARG 18 8.475 -9.790 -4.786 142 HH21 ARG 18 1HH2 ARG 18 5.405 -8.733 -3.564 143 HH22 ARG 18 2HH2 ARG 18 7.099 -8.385 -3.667 144 H VAL 19 H VAL 19 8.438 -11.433 -8.317 145 HA VAL 19 HA VAL 19 8.446 -9.162 -6.703 146 HB VAL 19 HB VAL 19 10.608 -10.350 -8.468 147 HG11 VAL 19 1HG1 VAL 19 12.133 -8.900 -7.610 148 HG12 VAL 19 2HG1 VAL 19 11.396 -8.933 -6.009 149 HG13 VAL 19 3HG1 VAL 19 10.737 -7.881 -7.261 150 HG21 VAL 19 3HG2 VAL 19 11.200 -11.624 -6.534 151 HG22 VAL 19 1HG2 VAL 19 9.446 -11.745 -6.662 152 HG23 VAL 19 2HG2 VAL 19 10.170 -10.647 -5.489 153 H ASN 20 H ASN 20 9.070 -9.314 -10.208 154 HA ASN 20 HA ASN 20 9.750 -6.567 -10.595 155 HB2 ASN 20 2HB ASN 20 8.880 -8.917 -12.165 156 HB3 ASN 20 1HB ASN 20 8.520 -7.360 -12.914 157 HD21 ASN 20 1HD2 ASN 20 10.186 -7.375 -14.520 158 HD22 ASN 20 2HD2 ASN 20 11.839 -7.375 -14.134 159 H ASP 21 H ASP 21 6.659 -8.212 -10.233 160 HA ASP 21 HA ASP 21 4.913 -6.246 -11.269 161 HB2 ASP 21 2HB ASP 21 4.522 -8.664 -10.504 162 HB3 ASP 21 1HB ASP 21 4.413 -8.013 -8.870 163 H LEU 22 H LEU 22 6.099 -6.736 -7.934 164 HA LEU 22 HA LEU 22 4.726 -4.560 -6.718 165 HB2 LEU 22 2HB LEU 22 7.255 -6.109 -6.213 166 HB3 LEU 22 1HB LEU 22 6.852 -4.741 -5.175 167 HG LEU 22 HG LEU 22 5.959 -6.832 -4.232 168 HD11 LEU 22 1HD1 LEU 22 3.490 -5.534 -5.260 169 HD12 LEU 22 2HD1 LEU 22 4.647 -4.477 -4.452 170 HD13 LEU 22 3HD1 LEU 22 3.978 -5.867 -3.598 171 HD21 LEU 22 3HD2 LEU 22 5.719 -7.915 -6.531 172 HD22 LEU 22 1HD2 LEU 22 4.227 -6.993 -6.710 173 HD23 LEU 22 2HD2 LEU 22 4.376 -8.186 -5.420 174 H ALA 23 H ALA 23 7.832 -4.681 -8.427 175 HA ALA 23 HA ALA 23 8.802 -2.100 -7.872 176 HB1 ALA 23 1HB ALA 23 9.006 -3.340 -10.600 177 HB2 ALA 23 2HB ALA 23 9.713 -4.180 -9.218 178 HB3 ALA 23 3HB ALA 23 10.264 -2.558 -9.643 179 H ARG 24 H ARG 24 6.656 -3.179 -10.516 180 HA ARG 24 HA ARG 24 6.269 -0.583 -11.657 181 HB2 ARG 24 2HB ARG 24 5.598 -3.291 -12.128 182 HB3 ARG 24 1HB ARG 24 4.071 -2.411 -12.073 183 HG2 ARG 24 2HG ARG 24 4.784 -0.897 -13.796 184 HG3 ARG 24 1HG ARG 24 6.443 -1.496 -13.718 185 HD2 ARG 24 2HD ARG 24 5.844 -2.894 -15.416 186 HD3 ARG 24 1HD ARG 24 4.940 -3.802 -14.188 187 HE ARG 24 HE ARG 24 3.781 -1.718 -15.976 188 HH11 ARG 24 1HH1 ARG 24 3.236 -4.814 -15.208 189 HH12 ARG 24 2HH1 ARG 24 1.633 -4.624 -14.580 190 HH21 ARG 24 1HH2 ARG 24 1.813 -1.164 -14.439 191 HH22 ARG 24 2HH2 ARG 24 0.828 -2.557 -14.145 192 H GLU 25 H GLU 25 4.348 -2.557 -9.397 193 HA GLU 25 HA GLU 25 2.135 -0.815 -9.120 194 HB2 GLU 25 2HB GLU 25 2.501 -3.249 -8.401 195 HB3 GLU 25 1HB GLU 25 3.308 -2.592 -6.978 196 HG2 GLU 25 2HG GLU 25 0.794 -1.227 -7.419 197 HG3 GLU 25 1HG GLU 25 0.538 -2.970 -7.329 198 H LEU 26 H LEU 26 5.084 -1.092 -7.102 199 HA LEU 26 HA LEU 26 4.389 0.981 -5.263 200 HB2 LEU 26 2HB LEU 26 6.559 0.635 -4.449 201 HB3 LEU 26 1HB LEU 26 6.225 -0.889 -5.264 202 HG LEU 26 HG LEU 26 7.303 0.258 -7.341 203 HD11 LEU 26 1HD1 LEU 26 8.231 2.294 -7.067 204 HD12 LEU 26 2HD1 LEU 26 9.109 1.750 -5.638 205 HD13 LEU 26 3HD1 LEU 26 7.463 2.364 -5.480 206 HD21 LEU 26 3HD2 LEU 26 9.480 -0.572 -6.675 207 HD22 LEU 26 1HD2 LEU 26 8.255 -1.625 -5.966 208 HD23 LEU 26 2HD2 LEU 26 9.063 -0.416 -4.969 209 H ARG 27 H ARG 27 6.092 1.097 -8.392 210 HA ARG 27 HA ARG 27 6.859 3.872 -8.176 211 HB2 ARG 27 2HB ARG 27 7.535 1.727 -9.667 212 HB3 ARG 27 1HB ARG 27 6.432 2.521 -10.787 213 HG2 ARG 27 2HG ARG 27 8.264 4.395 -9.497 214 HG3 ARG 27 1HG ARG 27 9.107 3.156 -10.427 215 HD2 ARG 27 2HD ARG 27 6.882 3.990 -11.998 216 HD3 ARG 27 1HD ARG 27 7.702 5.455 -11.425 217 HE ARG 27 HE ARG 27 9.226 3.206 -12.684 218 HH11 ARG 27 1HH1 ARG 27 10.177 5.945 -11.392 219 HH12 ARG 27 2HH1 ARG 27 10.643 6.776 -12.839 220 HH21 ARG 27 1HH2 ARG 27 9.073 4.522 -14.955 221 HH22 ARG 27 2HH2 ARG 27 10.017 5.970 -14.856 222 H ILE 28 H ILE 28 4.164 2.154 -9.765 223 HA ILE 28 HA ILE 28 3.008 4.339 -11.070 224 HB ILE 28 HB ILE 28 2.705 1.652 -10.950 225 HG12 ILE 28 2HG1 ILE 28 2.018 2.834 -12.873 226 HG13 ILE 28 1HG1 ILE 28 0.530 2.096 -12.273 227 HG21 ILE 28 1HG2 ILE 28 0.378 1.195 -10.159 228 HG22 ILE 28 2HG2 ILE 28 0.325 2.821 -9.478 229 HG23 ILE 28 3HG2 ILE 28 1.471 1.640 -8.851 230 HD11 ILE 28 3HD1 ILE 28 0.031 4.200 -11.045 231 HD12 ILE 28 1HD1 ILE 28 0.107 4.443 -12.791 232 HD13 ILE 28 2HD1 ILE 28 1.462 4.926 -11.768 233 H ARG 29 H ARG 29 2.345 3.030 -7.806 234 HA ARG 29 HA ARG 29 0.182 4.858 -7.224 235 HB2 ARG 29 2HB ARG 29 0.655 4.023 -4.878 236 HB3 ARG 29 1HB ARG 29 0.429 2.746 -6.073 237 HG2 ARG 29 2HG ARG 29 2.444 1.931 -5.494 238 HG3 ARG 29 1HG ARG 29 3.168 3.391 -6.166 239 HD2 ARG 29 2HD ARG 29 2.512 4.440 -3.830 240 HD3 ARG 29 1HD ARG 29 2.527 2.748 -3.302 241 HE ARG 29 HE ARG 29 4.854 2.607 -4.248 242 HH11 ARG 29 1HH1 ARG 29 3.661 5.729 -4.694 243 HH12 ARG 29 2HH1 ARG 29 5.067 6.535 -4.082 244 HH21 ARG 29 1HH2 ARG 29 6.600 3.625 -3.003 245 HH22 ARG 29 2HH2 ARG 29 6.724 5.347 -3.126 246 H ASP 30 H ASP 30 1.645 6.773 -8.130 247 HA ASP 30 HA ASP 30 3.773 7.841 -6.532 248 HB2 ASP 30 2HB ASP 30 1.742 9.259 -8.288 249 HB3 ASP 30 1HB ASP 30 3.348 9.852 -7.861 250 H ASN 31 H ASN 31 0.288 7.958 -6.197 251 HA ASN 31 HA ASN 31 0.047 10.276 -4.542 252 HB2 ASN 31 2HB ASN 31 -2.143 9.273 -4.011 253 HB3 ASN 31 1HB ASN 31 -1.783 9.117 -5.730 254 HD21 ASN 31 1HD2 ASN 31 -2.364 7.076 -6.469 255 HD22 ASN 31 2HD2 ASN 31 -2.196 5.633 -5.590 256 H VAL 32 H VAL 32 1.061 6.984 -3.770 257 HA VAL 32 HA VAL 32 0.642 7.322 -0.888 258 HB VAL 32 HB VAL 32 1.053 5.233 -2.739 259 HG11 VAL 32 1HG1 VAL 32 3.498 5.453 -2.339 260 HG12 VAL 32 2HG1 VAL 32 2.863 3.921 -1.746 261 HG13 VAL 32 3HG1 VAL 32 3.219 5.223 -0.614 262 HG21 VAL 32 3HG2 VAL 32 0.823 3.864 -0.538 263 HG22 VAL 32 1HG2 VAL 32 -0.492 4.947 -0.994 264 HG23 VAL 32 2HG2 VAL 32 0.670 5.439 0.239 265 H ARG 33 H ARG 33 2.304 7.632 0.682 266 HA ARG 33 HA ARG 33 4.539 9.282 -0.220 267 HB2 ARG 33 2HB ARG 33 3.070 8.605 2.197 268 HB3 ARG 33 1HB ARG 33 4.807 8.671 2.499 269 HG2 ARG 33 2HG ARG 33 4.180 10.871 0.817 270 HG3 ARG 33 1HG ARG 33 2.978 10.853 2.109 271 HD2 ARG 33 2HD ARG 33 4.564 11.870 3.388 272 HD3 ARG 33 1HD ARG 33 5.379 10.294 3.427 273 HE ARG 33 HE ARG 33 6.025 11.542 0.956 274 HH11 ARG 33 1HH2 ARG 33 7.222 10.886 4.006 275 HH12 ARG 33 2HH2 ARG 33 8.437 12.122 3.995 276 HH21 ARG 33 1HH1 ARG 33 7.293 13.594 1.071 277 HH22 ARG 33 2HH1 ARG 33 8.477 13.654 2.335 278 H ARG 34 H ARG 34 4.321 6.093 1.460 279 HA ARG 34 HA ARG 34 6.912 5.336 0.229 280 HB2 ARG 34 2HB ARG 34 6.836 6.620 2.670 281 HB3 ARG 34 1HB ARG 34 6.880 4.920 3.137 282 HG2 ARG 34 2HG ARG 34 9.053 4.768 2.580 283 HG3 ARG 34 1HG ARG 34 8.722 5.391 0.963 284 HD2 ARG 34 2HD ARG 34 10.176 7.025 1.859 285 HD3 ARG 34 1HD ARG 34 8.577 7.720 2.189 286 HE ARG 34 HE ARG 34 8.876 7.219 4.494 287 HH11 ARG 34 1HH2 ARG 34 11.774 6.894 2.902 288 HH12 ARG 34 2HH2 ARG 34 12.497 5.807 4.040 289 HH21 ARG 34 1HH1 ARG 34 9.558 5.272 5.803 290 HH22 ARG 34 2HH1 ARG 34 11.243 4.888 5.682 291 H VAL 35 H VAL 35 7.039 3.112 -0.060 292 HA VAL 35 HA VAL 35 5.006 1.418 1.360 293 HB VAL 35 HB VAL 35 6.045 0.836 -1.407 294 HG11 VAL 35 1HG1 VAL 35 3.226 0.427 -0.540 295 HG12 VAL 35 2HG1 VAL 35 4.451 -0.585 0.228 296 HG13 VAL 35 3HG1 VAL 35 4.261 -0.606 -1.526 297 HG21 VAL 35 3HG2 VAL 35 3.593 2.086 -1.787 298 HG22 VAL 35 1HG2 VAL 35 5.170 2.782 -2.156 299 HG23 VAL 35 2HG2 VAL 35 4.400 3.123 -0.609 300 H MET 36 H MET 36 5.903 -0.351 2.384 301 HA MET 36 HA MET 36 8.699 -1.075 1.711 302 HB2 MET 36 2HB MET 36 8.620 -0.041 3.868 303 HB3 MET 36 1HB MET 36 7.177 -0.950 4.316 304 HG2 MET 36 2HG MET 36 8.397 -3.001 4.463 305 HG3 MET 36 1HG MET 36 9.809 -2.293 3.678 306 HE1 MET 36 3HE MET 36 11.858 -2.429 5.750 307 HE2 MET 36 1HE MET 36 11.842 -0.681 6.017 308 HE3 MET 36 2HE MET 36 11.451 -1.336 4.429 309 H VAL 37 H VAL 37 8.694 -3.042 0.675 310 HA VAL 37 HA VAL 37 6.629 -5.056 1.498 311 HB VAL 37 HB VAL 37 8.188 -4.855 -1.093 312 HG11 VAL 37 1HG1 VAL 37 5.825 -6.044 -1.676 313 HG12 VAL 37 2HG1 VAL 37 6.027 -6.579 -0.007 314 HG13 VAL 37 3HG1 VAL 37 7.266 -6.946 -1.208 315 HG21 VAL 37 3HG2 VAL 37 6.838 -3.177 -1.760 316 HG22 VAL 37 1HG2 VAL 37 6.218 -3.073 -0.111 317 HG23 VAL 37 2HG2 VAL 37 5.407 -4.098 -1.296 318 H VAL 38 H VAL 38 7.392 -6.931 2.399 319 HA VAL 38 HA VAL 38 10.304 -7.585 2.060 320 HB VAL 38 HB VAL 38 9.850 -8.664 4.414 321 HG11 VAL 38 1HG1 VAL 38 10.765 -6.126 3.539 322 HG12 VAL 38 2HG1 VAL 38 11.153 -6.949 5.049 323 HG13 VAL 38 3HG1 VAL 38 9.780 -5.845 4.974 324 HG21 VAL 38 3HG2 VAL 38 7.387 -8.308 4.296 325 HG22 VAL 38 1HG2 VAL 38 7.662 -6.566 4.289 326 HG23 VAL 38 2HG2 VAL 38 8.110 -7.525 5.701 327 H ALA 39 H ALA 39 10.642 -9.595 1.183 328 HA ALA 39 HA ALA 39 8.388 -11.318 0.517 329 HB1 ALA 39 1HB ALA 39 10.743 -10.811 -0.622 330 HB2 ALA 39 2HB ALA 39 9.944 -12.371 -0.829 331 HB3 ALA 39 3HB ALA 39 11.241 -12.194 0.353 332 H SER 40 H SER 40 8.102 -13.497 1.254 333 HA SER 40 HA SER 40 8.609 -13.892 4.096 334 HB2 SER 40 2HB SER 40 7.674 -16.263 3.175 335 HB3 SER 40 1HB SER 40 6.631 -14.876 3.469 336 HG SER 40 HG SER 40 7.858 -15.623 1.018 337 H THR 41 H THR 41 9.288 -16.531 4.368 338 HA THR 41 HA THR 41 12.074 -16.583 3.272 339 HB THR 41 HB THR 41 11.852 -16.414 5.701 340 HG1 THR 41 1HG THR 41 13.265 -18.109 4.486 341 HG21 THR 41 3HG2 THR 41 9.822 -18.511 5.218 342 HG22 THR 41 1HG2 THR 41 9.881 -17.263 6.465 343 HG23 THR 41 2HG2 THR 41 10.824 -18.743 6.651 344 H THR 42 H THR 42 9.256 -17.832 2.342 345 HA THR 42 HA THR 42 10.505 -20.255 1.246 346 HB THR 42 HB THR 42 8.505 -20.202 3.470 347 HG1 THR 42 1HG THR 42 9.968 -21.442 4.307 348 HG21 THR 42 3HG2 THR 42 8.642 -22.420 1.408 349 HG22 THR 42 1HG2 THR 42 7.305 -21.285 1.576 350 HG23 THR 42 2HG2 THR 42 7.664 -22.421 2.875 351 HA PRO 43 HA PRO 43 6.240 -19.758 -0.796 352 HB2 PRO 43 2HB PRO 43 4.406 -18.060 0.315 353 HB3 PRO 43 1HB PRO 43 4.553 -19.764 0.793 354 HG2 PRO 43 2HG PRO 43 5.590 -17.324 2.148 355 HG3 PRO 43 1HG PRO 43 4.863 -18.780 2.847 356 HD2 PRO 43 2HD PRO 43 7.544 -18.323 2.815 357 HD3 PRO 43 1HD PRO 43 6.829 -19.949 2.791 358 H GLY 44 H GLY 44 4.853 -17.629 -1.714 359 HA2 GLY 44 2HA GLY 44 6.924 -15.596 -2.254 360 HA3 GLY 44 1HA GLY 44 5.658 -16.030 -3.394 361 H ARG 45 H ARG 45 5.170 -15.581 0.061 362 HA ARG 45 HA ARG 45 3.147 -13.491 -0.532 363 HB2 ARG 45 2HB ARG 45 3.845 -15.387 1.670 364 HB3 ARG 45 1HB ARG 45 2.979 -13.915 2.112 365 HG2 ARG 45 2HG ARG 45 1.100 -14.480 0.870 366 HG3 ARG 45 1HG ARG 45 2.010 -15.531 -0.218 367 HD2 ARG 45 2HD ARG 45 2.406 -16.767 2.216 368 HD3 ARG 45 1HD ARG 45 0.736 -16.184 2.355 369 HE ARG 45 HE ARG 45 1.174 -17.321 -0.253 370 HH11 ARG 45 1HH2 ARG 45 0.382 -17.936 3.039 371 HH12 ARG 45 2HH2 ARG 45 -0.161 -19.554 2.749 372 HH21 ARG 45 1HH1 ARG 45 0.631 -19.497 -0.629 373 HH22 ARG 45 2HH1 ARG 45 -0.020 -20.439 0.670 374 H TYR 46 H TYR 46 3.376 -11.358 0.173 375 HA TYR 46 HA TYR 46 5.928 -10.698 1.597 376 HB2 TYR 46 2HB TYR 46 4.455 -9.250 -0.598 377 HB3 TYR 46 1HB TYR 46 5.860 -8.615 0.231 378 HD1 TYR 46 1HD TYR 46 4.750 -11.708 -1.579 379 HD2 TYR 46 2HD TYR 46 7.978 -9.038 -0.628 380 HE1 TYR 46 1HE TYR 46 6.250 -12.989 -3.081 381 HE2 TYR 46 2HE TYR 46 9.479 -10.318 -2.125 382 HH TYR 46 HH TYR 46 9.217 -11.827 -4.136 383 H GLU 47 H GLU 47 5.826 -8.904 2.979 384 HA GLU 47 HA GLU 47 3.107 -8.314 4.059 385 HB2 GLU 47 2HB GLU 47 5.831 -7.781 5.276 386 HB3 GLU 47 1HB GLU 47 4.281 -7.852 6.108 387 HG2 GLU 47 2HG GLU 47 4.091 -10.261 5.399 388 HG3 GLU 47 1HG GLU 47 5.744 -10.152 4.791 389 H VAL 48 H VAL 48 2.545 -6.649 2.560 390 HA VAL 48 HA VAL 48 4.334 -4.425 1.988 391 HB VAL 48 HB VAL 48 1.377 -4.944 1.560 392 HG11 VAL 48 1HG1 VAL 48 2.061 -2.494 1.595 393 HG12 VAL 48 2HG1 VAL 48 1.353 -3.054 0.081 394 HG13 VAL 48 3HG1 VAL 48 3.099 -2.851 0.215 395 HG21 VAL 48 3HG2 VAL 48 1.961 -5.874 -0.465 396 HG22 VAL 48 1HG2 VAL 48 3.426 -6.267 0.435 397 HG23 VAL 48 2HG2 VAL 48 3.397 -4.863 -0.631 398 H ASN 49 H ASN 49 4.639 -2.695 3.301 399 HA ASN 49 HA ASN 49 2.485 -1.922 5.212 400 HB2 ASN 49 2HB ASN 49 5.502 -1.935 5.609 401 HB3 ASN 49 1HB ASN 49 4.313 -1.417 6.805 402 HD21 ASN 49 1HD2 ASN 49 6.214 -4.021 6.035 403 HD22 ASN 49 2HD2 ASN 49 5.261 -5.270 6.680 404 H ILE 50 H ILE 50 1.777 -0.201 4.025 405 HA ILE 50 HA ILE 50 3.771 1.846 3.142 406 HB ILE 50 HB ILE 50 2.142 0.519 1.588 407 HG12 ILE 50 2HG1 ILE 50 3.487 2.468 0.875 408 HG13 ILE 50 1HG1 ILE 50 1.891 2.477 0.123 409 HG21 ILE 50 1HG2 ILE 50 0.135 0.881 2.974 410 HG22 ILE 50 2HG2 ILE 50 -0.078 1.555 1.358 411 HG23 ILE 50 3HG2 ILE 50 0.272 2.620 2.719 412 HD11 ILE 50 3HD1 ILE 50 2.845 4.153 2.451 413 HD12 ILE 50 1HD1 ILE 50 1.139 3.981 2.044 414 HD13 ILE 50 2HD1 ILE 50 2.254 4.709 0.890 415 H VAL 51 H VAL 51 3.707 3.811 4.184 416 HA VAL 51 HA VAL 51 1.560 4.298 6.170 417 HB VAL 51 HB VAL 51 4.030 4.567 6.637 418 HG11 VAL 51 1HG1 VAL 51 5.188 6.481 5.694 419 HG12 VAL 51 2HG1 VAL 51 3.728 6.999 4.852 420 HG13 VAL 51 3HG1 VAL 51 4.545 5.514 4.366 421 HG21 VAL 51 3HG2 VAL 51 1.981 6.725 6.986 422 HG22 VAL 51 1HG2 VAL 51 3.644 7.076 7.459 423 HG23 VAL 51 2HG2 VAL 51 2.780 5.731 8.203 424 H LEU 52 H LEU 52 0.239 6.195 6.066 425 HA LEU 52 HA LEU 52 -0.162 7.176 3.309 426 HB2 LEU 52 2HB LEU 52 -1.702 7.552 5.897 427 HB3 LEU 52 1HB LEU 52 -2.273 8.021 4.300 428 HG LEU 52 HG LEU 52 -1.823 5.248 5.390 429 HD11 LEU 52 1HD1 LEU 52 -4.086 4.973 5.038 430 HD12 LEU 52 2HD1 LEU 52 -4.113 6.085 3.668 431 HD13 LEU 52 3HD1 LEU 52 -4.055 6.715 5.315 432 HD21 LEU 52 3HD2 LEU 52 -1.875 6.153 2.505 433 HD22 LEU 52 1HD2 LEU 52 -2.336 4.518 2.975 434 HD23 LEU 52 2HD2 LEU 52 -0.703 5.100 3.293 435 H ASN 53 H ASN 53 -0.674 9.546 3.056 436 HA ASN 53 HA ASN 53 1.517 11.186 3.923 437 HB2 ASN 53 2HB ASN 53 -1.160 12.080 2.818 438 HB3 ASN 53 1HB ASN 53 0.420 12.823 2.564 439 HD21 ASN 53 1HD2 ASN 53 -0.901 12.243 0.254 440 HD22 ASN 53 2HD2 ASN 53 -0.256 10.864 -0.497 441 HA PRO 54 HA PRO 54 -0.120 13.356 7.432 442 HB2 PRO 54 2HB PRO 54 -1.705 15.540 6.950 443 HB3 PRO 54 1HB PRO 54 0.062 15.547 6.788 444 HG2 PRO 54 2HG PRO 54 -2.029 15.304 4.691 445 HG3 PRO 54 1HG PRO 54 -0.494 16.188 4.660 446 HD2 PRO 54 2HD PRO 54 -0.856 13.807 3.447 447 HD3 PRO 54 1HD PRO 54 0.718 14.326 4.082 448 H ASN 55 H ASN 55 -2.848 12.998 5.161 449 HA ASN 55 HA ASN 55 -4.350 11.547 7.228 450 HB2 ASN 55 2HB ASN 55 -4.878 13.722 7.978 451 HB3 ASN 55 1HB ASN 55 -4.961 14.356 6.334 452 HD21 ASN 55 1HD2 ASN 55 -7.100 14.829 5.821 453 HD22 ASN 55 2HD2 ASN 55 -8.441 13.887 6.260 454 H LEU 56 H LEU 56 -4.086 10.002 5.328 455 HA LEU 56 HA LEU 56 -5.503 10.627 2.852 456 HB2 LEU 56 2HB LEU 56 -4.247 8.132 4.046 457 HB3 LEU 56 1HB LEU 56 -4.913 8.217 2.409 458 HG LEU 56 HG LEU 56 -2.575 9.764 3.540 459 HD11 LEU 56 1HD1 LEU 56 -1.977 8.783 1.035 460 HD12 LEU 56 2HD1 LEU 56 -3.047 7.541 1.687 461 HD13 LEU 56 3HD1 LEU 56 -1.584 7.990 2.558 462 HD21 LEU 56 3HD2 LEU 56 -4.250 10.297 1.070 463 HD22 LEU 56 1HD2 LEU 56 -2.577 10.840 1.201 464 HD23 LEU 56 2HD2 LEU 56 -3.790 11.436 2.335 465 H ASP 57 H ASP 57 -6.829 8.319 2.264 466 HA ASP 57 HA ASP 57 -8.642 7.325 4.241 467 HB2 ASP 57 2HB ASP 57 -9.027 9.994 3.714 468 HB3 ASP 57 1HB ASP 57 -10.169 9.243 2.602 469 H GLN 58 H GLN 58 -10.970 7.070 2.725 470 HA GLN 58 HA GLN 58 -10.297 4.993 0.907 471 HB2 GLN 58 2HB GLN 58 -12.825 6.642 1.172 472 HB3 GLN 58 1HB GLN 58 -12.712 5.045 0.433 473 HG2 GLN 58 2HG GLN 58 -11.879 4.147 2.617 474 HG3 GLN 58 1HG GLN 58 -12.163 5.735 3.334 475 HE21 GLN 58 1HE2 GLN 58 -14.623 6.357 1.932 476 HE22 GLN 58 2HE2 GLN 58 -15.823 5.299 2.501 477 H SER 59 H SER 59 -10.858 8.442 0.410 478 HA SER 59 HA SER 59 -11.195 8.302 -2.435 479 HB2 SER 59 2HB SER 59 -10.590 10.400 -0.375 480 HB3 SER 59 1HB SER 59 -10.489 10.814 -2.083 481 HG SER 59 HG SER 59 -12.610 10.414 -2.316 482 H GLN 60 H GLN 60 -8.416 9.002 -0.332 483 HA GLN 60 HA GLN 60 -6.553 9.364 -2.530 484 HB2 GLN 60 2HB GLN 60 -6.252 8.796 0.438 485 HB3 GLN 60 1HB GLN 60 -4.927 9.273 -0.619 486 HG2 GLN 60 2HG GLN 60 -7.347 10.987 -0.710 487 HG3 GLN 60 1HG GLN 60 -6.398 11.061 0.774 488 HE21 GLN 60 1HE2 GLN 60 -4.639 12.468 0.715 489 HE22 GLN 60 2HE2 GLN 60 -3.901 13.043 -0.702 490 H LEU 61 H LEU 61 -7.282 6.689 -0.274 491 HA LEU 61 HA LEU 61 -5.318 4.876 -1.347 492 HB2 LEU 61 2HB LEU 61 -7.957 4.301 0.023 493 HB3 LEU 61 1HB LEU 61 -6.573 3.214 -0.095 494 HG LEU 61 HG LEU 61 -6.357 5.949 1.172 495 HD11 LEU 61 1HD1 LEU 61 -6.315 3.920 3.158 496 HD12 LEU 61 2HD1 LEU 61 -7.760 3.651 2.182 497 HD13 LEU 61 3HD1 LEU 61 -7.499 5.211 2.964 498 HD21 LEU 61 3HD2 LEU 61 -4.603 3.631 0.706 499 HD22 LEU 61 1HD2 LEU 61 -4.544 4.261 2.353 500 HD23 LEU 61 2HD2 LEU 61 -4.185 5.321 0.990 501 H ALA 62 H ALA 62 -8.669 5.645 -2.202 502 HA ALA 62 HA ALA 62 -9.299 3.471 -3.847 503 HB1 ALA 62 1HB ALA 62 -10.057 6.277 -3.496 504 HB2 ALA 62 2HB ALA 62 -11.081 4.897 -3.890 505 HB3 ALA 62 3HB ALA 62 -10.225 5.757 -5.170 506 H LEU 63 H LEU 63 -7.184 6.229 -4.335 507 HA LEU 63 HA LEU 63 -6.671 5.774 -7.117 508 HB2 LEU 63 2HB LEU 63 -5.126 7.181 -4.919 509 HB3 LEU 63 1HB LEU 63 -4.819 7.369 -6.640 510 HG LEU 63 HG LEU 63 -7.469 7.986 -5.317 511 HD11 LEU 63 1HD1 LEU 63 -5.596 10.058 -6.413 512 HD12 LEU 63 2HD1 LEU 63 -5.320 9.430 -4.788 513 HD13 LEU 63 3HD1 LEU 63 -6.845 10.227 -5.179 514 HD21 LEU 63 3HD2 LEU 63 -6.421 8.804 -8.039 515 HD22 LEU 63 1HD2 LEU 63 -8.072 8.943 -7.434 516 HD23 LEU 63 2HD2 LEU 63 -7.394 7.355 -7.788 517 H GLU 64 H GLU 64 -4.799 5.024 -4.138 518 HA GLU 64 HA GLU 64 -2.791 3.535 -5.600 519 HB2 GLU 64 2HB GLU 64 -1.835 3.263 -3.489 520 HB3 GLU 64 1HB GLU 64 -2.846 4.677 -3.204 521 HG2 GLU 64 2HG GLU 64 -3.478 3.362 -1.406 522 HG3 GLU 64 1HG GLU 64 -4.662 2.830 -2.599 523 H LYS 65 H LYS 65 -5.849 2.720 -4.056 524 HA LYS 65 HA LYS 65 -5.476 -0.161 -4.182 525 HB2 LYS 65 2HB LYS 65 -7.554 1.824 -3.493 526 HB3 LYS 65 1HB LYS 65 -8.177 0.283 -4.081 527 HG2 LYS 65 2HG LYS 65 -7.910 -0.373 -1.913 528 HG3 LYS 65 1HG LYS 65 -6.223 -0.577 -2.389 529 HD2 LYS 65 2HD LYS 65 -5.538 1.212 -1.173 530 HD3 LYS 65 1HD LYS 65 -6.932 2.182 -1.644 531 HE2 LYS 65 2HE LYS 65 -7.155 -0.101 0.337 532 HE3 LYS 65 1HE LYS 65 -6.833 1.572 0.835 533 HZ1 LYS 65 3HZ LYS 65 -9.285 0.699 0.515 534 HZ2 LYS 65 1HZ LYS 65 -8.974 1.104 -1.103 535 HZ3 LYS 65 2HZ LYS 65 -8.851 2.290 0.105 536 H GLU 66 H GLU 66 -7.233 2.201 -6.228 537 HA GLU 66 HA GLU 66 -8.248 0.299 -8.089 538 HB2 GLU 66 2HB GLU 66 -7.657 3.247 -8.046 539 HB3 GLU 66 1HB GLU 66 -8.227 2.489 -9.533 540 HG2 GLU 66 2HG GLU 66 -10.101 1.479 -8.058 541 HG3 GLU 66 1HG GLU 66 -9.637 2.704 -6.878 542 H ILE 67 H ILE 67 -5.236 2.158 -7.961 543 HA ILE 67 HA ILE 67 -4.298 1.268 -10.567 544 HB ILE 67 HB ILE 67 -2.810 2.521 -8.246 545 HG12 ILE 67 2HG1 ILE 67 -5.033 3.638 -8.983 546 HG13 ILE 67 1HG1 ILE 67 -3.595 4.652 -8.944 547 HG21 ILE 67 1HG2 ILE 67 -2.405 2.671 -11.245 548 HG22 ILE 67 2HG2 ILE 67 -1.429 1.712 -10.135 549 HG23 ILE 67 3HG2 ILE 67 -1.413 3.472 -10.028 550 HD11 ILE 67 3HD1 ILE 67 -5.093 4.789 -11.019 551 HD12 ILE 67 1HD1 ILE 67 -4.465 3.196 -11.432 552 HD13 ILE 67 2HD1 ILE 67 -3.365 4.568 -11.298 553 H ILE 68 H ILE 68 -3.487 0.423 -7.181 554 HA ILE 68 HA ILE 68 -1.377 -1.404 -7.814 555 HB ILE 68 HB ILE 68 -3.288 -1.015 -5.508 556 HG12 ILE 68 2HG1 ILE 68 -0.328 -0.514 -5.959 557 HG13 ILE 68 1HG1 ILE 68 -1.592 0.703 -5.781 558 HG21 ILE 68 1HG2 ILE 68 -0.948 -2.943 -5.617 559 HG22 ILE 68 2HG2 ILE 68 -2.645 -3.422 -5.643 560 HG23 ILE 68 3HG2 ILE 68 -1.975 -2.624 -4.220 561 HD11 ILE 68 3HD1 ILE 68 -1.932 -0.811 -3.508 562 HD12 ILE 68 1HD1 ILE 68 -1.025 0.700 -3.584 563 HD13 ILE 68 2HD1 ILE 68 -0.180 -0.843 -3.715 564 H GLN 69 H GLN 69 -4.885 -1.928 -7.360 565 HA GLN 69 HA GLN 69 -4.864 -4.770 -7.510 566 HB2 GLN 69 2HB GLN 69 -7.262 -4.412 -8.160 567 HB3 GLN 69 1HB GLN 69 -6.774 -3.456 -6.761 568 HG2 GLN 69 2HG GLN 69 -7.704 -1.739 -7.939 569 HG3 GLN 69 1HG GLN 69 -6.145 -1.737 -8.764 570 HE21 GLN 69 1HE2 GLN 69 -9.046 -3.882 -9.016 571 HE22 GLN 69 2HE2 GLN 69 -9.185 -3.733 -10.701 572 H ARG 70 H ARG 70 -4.975 -2.313 -10.088 573 HA ARG 70 HA ARG 70 -5.451 -4.130 -12.239 574 HB2 ARG 70 2HB ARG 70 -5.293 -1.393 -11.787 575 HB3 ARG 70 1HB ARG 70 -3.940 -1.714 -12.873 576 HG2 ARG 70 2HG ARG 70 -6.512 -3.045 -13.542 577 HG3 ARG 70 1HG ARG 70 -6.452 -1.296 -13.765 578 HD2 ARG 70 2HD ARG 70 -4.108 -2.831 -14.785 579 HD3 ARG 70 1HD ARG 70 -5.628 -2.997 -15.686 580 HE ARG 70 HE ARG 70 -5.469 -0.281 -15.225 581 HH11 ARG 70 1HH2 ARG 70 -2.455 -1.219 -15.267 582 HH12 ARG 70 2HH2 ARG 70 -2.043 -0.757 -16.883 583 HH21 ARG 70 1HH1 ARG 70 -5.331 -0.294 -17.876 584 HH22 ARG 70 2HH1 ARG 70 -3.668 -0.235 -18.360 585 H ALA 71 H ALA 71 -2.430 -2.666 -10.976 586 HA ALA 71 HA ALA 71 -0.693 -3.850 -12.895 587 HB1 ALA 71 1HB ALA 71 0.092 -2.008 -11.641 588 HB2 ALA 71 2HB ALA 71 0.986 -3.372 -10.971 589 HB3 ALA 71 3HB ALA 71 -0.414 -2.727 -10.112 590 H LEU 72 H LEU 72 -1.515 -4.852 -9.564 591 HA LEU 72 HA LEU 72 0.033 -7.237 -9.551 592 HB2 LEU 72 2HB LEU 72 -2.373 -6.197 -8.069 593 HB3 LEU 72 1HB LEU 72 -1.726 -7.799 -7.718 594 HG LEU 72 HG LEU 72 -0.090 -5.247 -7.662 595 HD11 LEU 72 1HD1 LEU 72 -1.905 -5.459 -5.885 596 HD12 LEU 72 2HD1 LEU 72 -0.259 -5.316 -5.272 597 HD13 LEU 72 3HD1 LEU 72 -1.053 -6.890 -5.308 598 HD21 LEU 72 3HD2 LEU 72 0.707 -7.891 -7.922 599 HD22 LEU 72 1HD2 LEU 72 0.826 -7.609 -6.184 600 HD23 LEU 72 2HD2 LEU 72 1.711 -6.577 -7.308 601 H GLU 73 H GLU 73 -3.258 -6.545 -10.606 602 HA GLU 73 HA GLU 73 -4.092 -9.252 -11.017 603 HB2 GLU 73 2HB GLU 73 -4.969 -6.483 -11.727 604 HB3 GLU 73 1HB GLU 73 -5.721 -7.821 -12.580 605 HG2 GLU 73 2HG GLU 73 -6.862 -7.029 -10.412 606 HG3 GLU 73 1HG GLU 73 -6.588 -8.762 -10.585 607 H ASN 74 H ASN 74 -2.847 -6.701 -13.165 608 HA ASN 74 HA ASN 74 -2.909 -8.174 -15.582 609 HB2 ASN 74 2HB ASN 74 -1.885 -5.697 -14.510 610 HB3 ASN 74 1HB ASN 74 -0.660 -6.437 -15.541 611 HD21 ASN 74 1HD2 ASN 74 -4.192 -5.695 -15.567 612 HD22 ASN 74 2HD2 ASN 74 -4.252 -5.350 -17.228 613 H TYR 75 H TYR 75 -0.536 -7.951 -12.947 614 HA TYR 75 HA TYR 75 1.471 -9.585 -14.279 615 HB2 TYR 75 2HB TYR 75 1.306 -7.839 -12.174 616 HB3 TYR 75 1HB TYR 75 1.406 -9.386 -11.344 617 HD1 TYR 75 2HD TYR 75 3.369 -10.900 -11.741 618 HD2 TYR 75 1HD TYR 75 3.114 -6.970 -13.449 619 HE1 TYR 75 2HE TYR 75 5.793 -10.973 -12.267 620 HE2 TYR 75 1HE TYR 75 5.540 -7.039 -13.975 621 HH TYR 75 HH TYR 75 7.465 -9.961 -13.363 622 H GLY 76 H GLY 76 -1.330 -10.197 -12.270 623 HA2 GLY 76 2HA GLY 76 -2.382 -12.392 -12.277 624 HA3 GLY 76 1HA GLY 76 -0.778 -13.087 -12.460 625 H ALA 77 H ALA 77 -0.764 -10.510 -10.279 626 HA ALA 77 HA ALA 77 -0.471 -12.389 -7.998 627 HB1 ALA 77 1HB ALA 77 1.306 -10.905 -8.027 628 HB2 ALA 77 2HB ALA 77 0.191 -9.988 -7.013 629 HB3 ALA 77 3HB ALA 77 0.340 -9.607 -8.729 630 H ARG 78 H ARG 78 -2.128 -12.638 -6.550 631 HA ARG 78 HA ARG 78 -4.260 -10.523 -6.462 632 HB2 ARG 78 2HB ARG 78 -4.539 -13.027 -7.360 633 HB3 ARG 78 1HB ARG 78 -4.731 -13.360 -5.640 634 HG2 ARG 78 2HG ARG 78 -6.918 -12.844 -6.076 635 HG3 ARG 78 1HG ARG 78 -6.336 -11.192 -5.866 636 HD2 ARG 78 2HD ARG 78 -6.265 -10.784 -8.183 637 HD3 ARG 78 1HD ARG 78 -6.213 -12.514 -8.578 638 HE ARG 78 HE ARG 78 -8.571 -12.672 -8.046 639 HH11 ARG 78 1HH1 ARG 78 -7.871 -10.107 -6.170 640 HH12 ARG 78 2HH1 ARG 78 -9.101 -9.044 -6.770 641 HH21 ARG 78 1HH2 ARG 78 -9.887 -11.051 -9.484 642 HH22 ARG 78 2HH2 ARG 78 -10.241 -9.579 -8.642 643 H VAL 79 H VAL 79 -4.599 -9.602 -4.451 644 HA VAL 79 HA VAL 79 -3.015 -10.547 -2.159 645 HB VAL 79 HB VAL 79 -5.067 -8.328 -2.237 646 HG11 VAL 79 1HG1 VAL 79 -4.103 -7.645 -0.304 647 HG12 VAL 79 2HG1 VAL 79 -2.474 -7.951 -0.904 648 HG13 VAL 79 3HG1 VAL 79 -3.430 -9.274 -0.235 649 HG21 VAL 79 3HG2 VAL 79 -2.708 -7.067 -2.780 650 HG22 VAL 79 1HG2 VAL 79 -3.879 -7.522 -4.018 651 HG23 VAL 79 2HG2 VAL 79 -2.495 -8.563 -3.689 652 H GLU 80 H GLU 80 -3.849 -11.983 -0.701 653 HA GLU 80 HA GLU 80 -6.676 -12.760 -0.835 654 HB2 GLU 80 2HB GLU 80 -5.483 -14.636 -0.324 655 HB3 GLU 80 1HB GLU 80 -4.104 -13.695 0.238 656 HG2 GLU 80 2HG GLU 80 -5.033 -13.454 2.420 657 HG3 GLU 80 1HG GLU 80 -6.618 -14.022 1.892 658 H LYS 81 H LYS 81 -4.907 -10.358 0.783 659 HA LYS 81 HA LYS 81 -7.048 -10.072 2.852 660 HB2 LYS 81 2HB LYS 81 -5.271 -9.548 4.391 661 HB3 LYS 81 1HB LYS 81 -4.811 -11.020 3.539 662 HG2 LYS 81 2HG LYS 81 -2.864 -9.903 3.159 663 HG3 LYS 81 1HG LYS 81 -3.787 -9.145 1.858 664 HD2 LYS 81 2HD LYS 81 -2.681 -7.430 3.236 665 HD3 LYS 81 1HD LYS 81 -4.434 -7.318 3.406 666 HE2 LYS 81 2HE LYS 81 -3.053 -7.232 5.592 667 HE3 LYS 81 1HE LYS 81 -4.385 -8.401 5.552 668 HZ1 LYS 81 3HZ LYS 81 -2.143 -9.298 6.263 669 HZ2 LYS 81 1HZ LYS 81 -1.647 -9.088 4.656 670 HZ3 LYS 81 2HZ LYS 81 -2.928 -10.145 5.017 671 H VAL 82 H VAL 82 -7.983 -8.028 2.815 672 HA VAL 82 HA VAL 82 -6.362 -5.750 1.771 673 HB VAL 82 HB VAL 82 -7.782 -6.846 -0.016 674 HG11 VAL 82 1HG1 VAL 82 -10.133 -6.791 0.099 675 HG12 VAL 82 2HG1 VAL 82 -10.132 -5.601 1.400 676 HG13 VAL 82 3HG1 VAL 82 -9.661 -7.268 1.730 677 HG21 VAL 82 3HG2 VAL 82 -7.999 -4.811 -1.007 678 HG22 VAL 82 1HG2 VAL 82 -7.270 -4.189 0.473 679 HG23 VAL 82 2HG2 VAL 82 -9.024 -4.189 0.286 680 H GLU 83 H GLU 83 -6.329 -4.461 3.601 681 HA GLU 83 HA GLU 83 -8.971 -3.860 4.894 682 HB2 GLU 83 2HB GLU 83 -7.288 -5.353 6.144 683 HB3 GLU 83 1HB GLU 83 -6.285 -3.909 6.283 684 HG2 GLU 83 2HG GLU 83 -7.566 -3.930 8.280 685 HG3 GLU 83 1HG GLU 83 -8.381 -2.760 7.244 686 H GLU 84 H GLU 84 -9.384 -1.796 4.137 687 HA GLU 84 HA GLU 84 -7.173 0.138 3.916 688 HB2 GLU 84 2HB GLU 84 -8.709 1.343 2.499 689 HB3 GLU 84 1HB GLU 84 -8.830 -0.364 2.067 690 HG2 GLU 84 2HG GLU 84 -10.730 -0.407 3.877 691 HG3 GLU 84 1HG GLU 84 -10.770 1.336 3.609 692 H LEU 85 H LEU 85 -6.832 1.452 5.658 693 HA LEU 85 HA LEU 85 -9.187 2.184 7.364 694 HB2 LEU 85 2HB LEU 85 -6.213 1.954 7.932 695 HB3 LEU 85 1HB LEU 85 -7.398 2.537 9.103 696 HG LEU 85 HG LEU 85 -8.655 0.319 8.588 697 HD11 LEU 85 1HD1 LEU 85 -6.283 -1.191 8.178 698 HD12 LEU 85 2HD1 LEU 85 -6.323 0.061 6.935 699 HD13 LEU 85 3HD1 LEU 85 -7.675 -1.054 7.106 700 HD21 LEU 85 3HD2 LEU 85 -7.139 1.063 10.636 701 HD22 LEU 85 1HD2 LEU 85 -6.054 -0.172 9.996 702 HD23 LEU 85 2HD2 LEU 85 -7.689 -0.606 10.489 703 H GLY 86 H GLY 86 -5.937 3.570 6.795 704 HA2 GLY 86 2HA GLY 86 -5.334 5.855 6.634 705 HA3 GLY 86 1HA GLY 86 -6.428 5.773 5.253 706 H LEU 87 H LEU 87 -6.481 6.243 8.797 707 HA LEU 87 HA LEU 87 -8.034 8.610 8.663 708 HB2 LEU 87 2HB LEU 87 -10.211 7.534 9.474 709 HB3 LEU 87 1HB LEU 87 -9.792 7.225 7.789 710 HG LEU 87 HG LEU 87 -8.602 5.100 8.699 711 HD11 LEU 87 1HD1 LEU 87 -10.170 6.076 11.056 712 HD12 LEU 87 2HD1 LEU 87 -8.595 5.283 11.011 713 HD13 LEU 87 3HD1 LEU 87 -10.066 4.338 10.775 714 HD21 LEU 87 3HD2 LEU 87 -10.667 3.828 8.507 715 HD22 LEU 87 1HD2 LEU 87 -10.723 5.164 7.356 716 HD23 LEU 87 2HD2 LEU 87 -11.626 5.263 8.868 717 H ARG 88 H ARG 88 -5.832 7.799 10.171 718 HA ARG 88 HA ARG 88 -6.963 7.642 12.912 719 HB2 ARG 88 2HB ARG 88 -4.814 6.215 11.497 720 HB3 ARG 88 1HB ARG 88 -4.371 6.765 13.113 721 HG2 ARG 88 2HG ARG 88 -6.995 5.366 12.661 722 HG3 ARG 88 1HG ARG 88 -5.510 4.431 12.848 723 HD2 ARG 88 2HD ARG 88 -5.517 6.432 14.889 724 HD3 ARG 88 1HD ARG 88 -7.095 5.619 14.914 725 HE ARG 88 HE ARG 88 -5.586 3.457 14.722 726 HH11 ARG 88 1HH2 ARG 88 -3.805 6.113 15.644 727 HH12 ARG 88 2HH2 ARG 88 -3.282 5.472 17.166 728 HH21 ARG 88 1HH1 ARG 88 -5.388 2.720 17.029 729 HH22 ARG 88 2HH1 ARG 88 -4.179 3.549 17.950 730 H ARG 89 H ARG 89 -6.228 9.185 14.391 731 HA ARG 89 HA ARG 89 -4.093 11.072 13.450 732 HB2 ARG 89 2HB ARG 89 -6.781 11.635 14.743 733 HB3 ARG 89 1HB ARG 89 -5.532 12.858 14.508 734 HG2 ARG 89 2HG ARG 89 -5.822 12.920 12.226 735 HG3 ARG 89 1HG ARG 89 -6.303 11.226 12.135 736 HD2 ARG 89 2HD ARG 89 -8.516 11.718 12.946 737 HD3 ARG 89 1HD ARG 89 -8.051 13.377 13.377 738 HE ARG 89 HE ARG 89 -7.428 13.342 10.736 739 HH11 ARG 89 1HH2 ARG 89 -10.137 14.198 12.188 740 HH12 ARG 89 2HH2 ARG 89 -11.260 13.593 11.016 741 HH21 ARG 89 1HH1 ARG 89 -8.896 11.704 9.327 742 HH22 ARG 89 2HH1 ARG 89 -10.558 12.184 9.398 743 H LEU 90 H LEU 90 -2.440 11.050 14.925 744 HA LEU 90 HA LEU 90 -3.123 10.801 17.828 745 HB2 LEU 90 2HB LEU 90 -2.543 8.587 17.094 746 HB3 LEU 90 1HB LEU 90 -1.163 9.189 16.175 747 HG LEU 90 HG LEU 90 -0.811 10.109 18.827 748 HD11 LEU 90 1HD1 LEU 90 -1.129 7.124 18.890 749 HD12 LEU 90 2HD1 LEU 90 -2.532 8.150 19.186 750 HD13 LEU 90 3HD1 LEU 90 -1.116 8.270 20.231 751 HD21 LEU 90 3HD2 LEU 90 0.595 7.666 17.822 752 HD22 LEU 90 1HD2 LEU 90 1.265 9.119 18.565 753 HD23 LEU 90 2HD2 LEU 90 0.748 9.150 16.879 754 H ALA 91 H ALA 91 -2.604 13.106 17.951 755 HA ALA 91 HA ALA 91 0.333 13.666 17.685 756 HB1 ALA 91 1HB ALA 91 -1.498 15.956 17.566 757 HB2 ALA 91 2HB ALA 91 -1.799 14.773 16.293 758 HB3 ALA 91 3HB ALA 91 -0.201 15.503 16.459 759 H TYR 92 H TYR 92 -2.641 14.163 19.539 760 HA TYR 92 HA TYR 92 -1.104 15.549 21.690 761 HB2 TYR 92 2HB TYR 92 -3.496 16.078 20.528 762 HB3 TYR 92 1HB TYR 92 -4.033 15.067 21.869 763 HD1 TYR 92 2HD TYR 92 -1.245 17.555 21.548 764 HD2 TYR 92 1HD TYR 92 -4.862 16.434 23.570 765 HE1 TYR 92 2HE TYR 92 -0.964 19.464 23.104 766 HE2 TYR 92 1HE TYR 92 -4.583 18.343 25.127 767 HH TYR 92 HH TYR 92 -2.375 19.738 25.948 768 HA PRO 93 HA PRO 93 -1.083 11.870 24.105 769 HB2 PRO 93 2HB PRO 93 -0.817 12.975 26.591 770 HB3 PRO 93 1HB PRO 93 0.509 12.918 25.412 771 HG2 PRO 93 2HG PRO 93 -1.268 15.181 26.156 772 HG3 PRO 93 1HG PRO 93 0.451 15.184 25.735 773 HD2 PRO 93 2HD PRO 93 -1.562 15.929 24.022 774 HD3 PRO 93 1HD PRO 93 0.031 15.339 23.500 775 H ILE 94 H ILE 94 -3.672 12.310 23.348 776 HA ILE 94 HA ILE 94 -5.415 12.790 25.662 777 HB ILE 94 HB ILE 94 -5.816 11.880 22.799 778 HG12 ILE 94 2HG1 ILE 94 -5.107 14.243 23.208 779 HG13 ILE 94 1HG1 ILE 94 -6.723 14.132 22.507 780 HG21 ILE 94 1HG2 ILE 94 -8.252 12.334 23.267 781 HG22 ILE 94 2HG2 ILE 94 -7.848 12.429 24.981 782 HG23 ILE 94 3HG2 ILE 94 -7.615 10.917 24.103 783 HD11 ILE 94 3HD1 ILE 94 -6.003 15.452 24.887 784 HD12 ILE 94 1HD1 ILE 94 -6.867 14.002 25.397 785 HD13 ILE 94 2HD1 ILE 94 -7.636 15.147 24.299 786 H ALA 95 H ALA 95 -5.945 11.209 27.118 787 HA ALA 95 HA ALA 95 -5.762 8.350 26.222 788 HB1 ALA 95 1HB ALA 95 -4.637 7.840 28.213 789 HB2 ALA 95 2HB ALA 95 -5.277 9.255 29.050 790 HB3 ALA 95 3HB ALA 95 -3.999 9.444 27.847 791 H LYS 96 H LYS 96 -6.771 7.342 28.721 792 HA LYS 96 HA LYS 96 -9.563 8.445 28.737 793 HB2 LYS 96 2HB LYS 96 -9.357 6.358 27.430 794 HB3 LYS 96 1HB LYS 96 -8.617 5.559 28.818 795 HG2 LYS 96 2HG LYS 96 -10.954 4.958 28.802 796 HG3 LYS 96 1HG LYS 96 -10.709 6.094 30.130 797 HD2 LYS 96 2HD LYS 96 -11.273 7.528 27.683 798 HD3 LYS 96 1HD LYS 96 -12.541 6.343 28.002 799 HE2 LYS 96 2HE LYS 96 -12.488 7.259 30.442 800 HE3 LYS 96 1HE LYS 96 -11.654 8.654 29.728 801 HZ1 LYS 96 3HZ LYS 96 -13.926 7.703 28.216 802 HZ2 LYS 96 1HZ LYS 96 -13.480 9.289 28.616 803 HZ3 LYS 96 2HZ LYS 96 -14.327 8.338 29.740 Start of MODEL 19 1 H1 MET 1 1HT MET 1 -1.688 9.041 13.947 2 H2 MET 1 2HT MET 1 -2.269 9.852 15.324 3 H3 MET 1 3HT MET 1 -0.796 9.010 15.388 4 HA MET 1 HA MET 1 -1.326 11.441 13.753 5 HB2 MET 1 2HB MET 1 -0.437 10.859 16.499 6 HB3 MET 1 1HB MET 1 0.640 11.945 15.622 7 HG2 MET 1 2HG MET 1 -0.852 13.515 16.390 8 HG3 MET 1 1HG MET 1 -1.712 13.044 14.924 9 HE1 MET 1 2HE MET 1 -1.422 11.191 18.650 10 HE2 MET 1 3HE MET 1 -2.611 12.336 19.267 11 HE3 MET 1 1HE MET 1 -1.142 12.923 18.479 12 H ASP 2 H ASP 2 1.318 9.490 15.199 13 HA ASP 2 HA ASP 2 3.298 10.259 13.294 14 HB2 ASP 2 2HB ASP 2 3.577 9.220 15.583 15 HB3 ASP 2 1HB ASP 2 3.118 7.676 14.866 16 HA PRO 3 HA PRO 3 2.155 6.321 10.918 17 HB2 PRO 3 2HB PRO 3 -0.147 4.999 11.560 18 HB3 PRO 3 1HB PRO 3 1.403 4.679 12.358 19 HG2 PRO 3 2HG PRO 3 -0.970 6.081 13.368 20 HG3 PRO 3 1HG PRO 3 0.330 5.275 14.252 21 HD2 PRO 3 2HD PRO 3 -0.003 8.062 13.826 22 HD3 PRO 3 1HD PRO 3 1.365 7.243 14.605 23 H GLN 4 H GLN 4 0.579 9.071 11.216 24 HA GLN 4 HA GLN 4 -1.896 9.055 10.004 25 HB2 GLN 4 2HB GLN 4 -1.380 11.257 9.273 26 HB3 GLN 4 1HB GLN 4 -0.465 10.998 10.756 27 HG2 GLN 4 2HG GLN 4 0.627 10.735 7.936 28 HG3 GLN 4 1HG GLN 4 0.947 12.066 9.043 29 HE21 GLN 4 1HE2 GLN 4 1.553 8.603 8.487 30 HE22 GLN 4 2HE2 GLN 4 2.866 8.492 9.563 31 H GLY 5 H GLY 5 -2.651 8.123 8.111 32 HA2 GLY 5 2HA GLY 5 -2.502 7.973 5.656 33 HA3 GLY 5 1HA GLY 5 -0.749 8.013 5.805 34 H TYR 6 H TYR 6 -0.543 6.082 7.936 35 HA TYR 6 HA TYR 6 -0.525 3.653 6.391 36 HB2 TYR 6 2HB TYR 6 0.360 4.658 8.920 37 HB3 TYR 6 1HB TYR 6 -0.497 3.143 9.206 38 HD1 TYR 6 1HD TYR 6 0.013 1.381 7.115 39 HD2 TYR 6 2HD TYR 6 2.657 4.388 8.670 40 HE1 TYR 6 1HE TYR 6 1.963 0.113 6.254 41 HE2 TYR 6 2HE TYR 6 4.607 3.118 7.810 42 HH TYR 6 HH TYR 6 4.613 1.062 5.573 43 H PHE 7 H PHE 7 -2.355 2.532 5.853 44 HA PHE 7 HA PHE 7 -4.289 1.756 7.839 45 HB2 PHE 7 2HB PHE 7 -4.909 4.106 7.406 46 HB3 PHE 7 1HB PHE 7 -5.010 3.761 5.681 47 HD1 PHE 7 1HD PHE 7 -6.518 3.003 8.995 48 HD2 PHE 7 2HD PHE 7 -6.941 2.729 4.729 49 HE1 PHE 7 1HE PHE 7 -8.882 2.303 9.273 50 HE2 PHE 7 2HE PHE 7 -9.302 2.024 5.008 51 HZ PHE 7 HZ PHE 7 -10.273 1.814 7.280 52 H LEU 8 H LEU 8 -2.524 0.642 5.620 53 HA LEU 8 HA LEU 8 -4.562 -1.082 4.442 54 HB2 LEU 8 2HB LEU 8 -3.156 -0.477 2.191 55 HB3 LEU 8 1HB LEU 8 -4.669 0.303 2.637 56 HG LEU 8 HG LEU 8 -2.102 1.396 3.742 57 HD11 LEU 8 1HD1 LEU 8 -1.660 1.111 1.334 58 HD12 LEU 8 2HD1 LEU 8 -1.857 2.818 1.732 59 HD13 LEU 8 3HD1 LEU 8 -3.171 1.936 0.954 60 HD21 LEU 8 3HD2 LEU 8 -3.934 3.357 2.782 61 HD22 LEU 8 1HD2 LEU 8 -3.573 2.955 4.460 62 HD23 LEU 8 2HD2 LEU 8 -4.882 2.129 3.617 63 H TRP 9 H TRP 9 -3.832 -3.121 4.540 64 HA TRP 9 HA TRP 9 -0.894 -3.650 4.210 65 HB2 TRP 9 2HB TRP 9 -1.766 -3.789 6.577 66 HB3 TRP 9 1HB TRP 9 -2.865 -5.062 6.044 67 HD1 TRP 9 HD TRP 9 0.111 -5.527 4.072 68 HE1 TRP 9 1HE TRP 9 1.671 -7.314 5.081 69 HE3 TRP 9 3HE TRP 9 -1.889 -5.903 8.761 70 HZ2 TRP 9 2HZ TRP 9 2.024 -8.718 7.548 71 HZ3 TRP 9 3HZ TRP 9 -0.919 -7.474 10.416 72 HH2 TRP 9 HH TRP 9 1.032 -8.881 9.816 73 H TYR 10 H TYR 10 -0.672 -4.873 2.333 74 HA TYR 10 HA TYR 10 -2.853 -6.844 1.710 75 HB2 TYR 10 2HB TYR 10 -1.276 -4.981 -0.085 76 HB3 TYR 10 1HB TYR 10 -2.329 -6.257 -0.694 77 HD1 TYR 10 1HD TYR 10 -4.755 -6.288 0.493 78 HD2 TYR 10 2HD TYR 10 -2.196 -2.857 0.120 79 HE1 TYR 10 1HE TYR 10 -6.717 -4.794 0.760 80 HE2 TYR 10 2HE TYR 10 -4.159 -1.365 0.387 81 HH TYR 10 HH TYR 10 -6.749 -1.946 1.669 82 H GLN 11 H GLN 11 -2.177 -8.857 0.915 83 HA GLN 11 HA GLN 11 0.746 -9.339 0.765 84 HB2 GLN 11 2HB GLN 11 -0.493 -10.243 2.790 85 HB3 GLN 11 1HB GLN 11 -1.396 -11.268 1.673 86 HG2 GLN 11 2HG GLN 11 0.462 -12.541 1.107 87 HG3 GLN 11 1HG GLN 11 1.600 -11.272 1.563 88 HE21 GLN 11 1HE2 GLN 11 2.268 -11.155 3.781 89 HE22 GLN 11 2HE2 GLN 11 1.800 -12.302 4.942 90 H VAL 12 H VAL 12 1.329 -11.127 -0.759 91 HA VAL 12 HA VAL 12 -0.789 -11.600 -2.825 92 HB VAL 12 HB VAL 12 0.879 -11.223 -4.527 93 HG11 VAL 12 1HG1 VAL 12 -0.179 -9.262 -3.228 94 HG12 VAL 12 2HG1 VAL 12 1.222 -8.915 -4.241 95 HG13 VAL 12 3HG1 VAL 12 1.412 -9.073 -2.494 96 HG21 VAL 12 3HG2 VAL 12 3.128 -10.307 -3.044 97 HG22 VAL 12 1HG2 VAL 12 3.037 -11.711 -4.107 98 HG23 VAL 12 2HG2 VAL 12 2.682 -11.884 -2.389 99 H GLU 13 H GLU 13 0.236 -13.359 -4.416 100 HA GLU 13 HA GLU 13 1.494 -15.532 -2.784 101 HB2 GLU 13 2HB GLU 13 -0.876 -15.940 -2.755 102 HB3 GLU 13 1HB GLU 13 -1.020 -15.598 -4.478 103 HG2 GLU 13 2HG GLU 13 -0.221 -17.659 -5.091 104 HG3 GLU 13 1HG GLU 13 0.873 -17.758 -3.710 105 H MET 14 H MET 14 2.972 -14.001 -4.500 106 HA MET 14 HA MET 14 3.392 -15.822 -6.844 107 HB2 MET 14 2HB MET 14 3.555 -12.792 -6.652 108 HB3 MET 14 1HB MET 14 4.024 -13.719 -8.077 109 HG2 MET 14 2HG MET 14 1.266 -13.635 -6.822 110 HG3 MET 14 1HG MET 14 1.737 -12.919 -8.363 111 HE1 MET 14 3HE MET 14 -0.747 -15.282 -9.042 112 HE2 MET 14 1HE MET 14 -0.438 -14.639 -7.421 113 HE3 MET 14 2HE MET 14 -0.398 -16.376 -7.705 114 HA PRO 15 HA PRO 15 7.449 -16.247 -5.241 115 HB2 PRO 15 2HB PRO 15 8.854 -16.589 -7.564 116 HB3 PRO 15 1HB PRO 15 7.882 -17.838 -6.807 117 HG2 PRO 15 2HG PRO 15 7.213 -16.044 -9.081 118 HG3 PRO 15 1HG PRO 15 6.851 -17.767 -8.878 119 HD2 PRO 15 2HD PRO 15 4.986 -15.860 -8.482 120 HD3 PRO 15 1HD PRO 15 5.020 -17.360 -7.526 121 H GLU 16 H GLU 16 9.789 -15.644 -6.247 122 HA GLU 16 HA GLU 16 10.289 -12.932 -5.704 123 HB2 GLU 16 2HB GLU 16 11.799 -15.042 -6.025 124 HB3 GLU 16 1HB GLU 16 11.817 -14.564 -7.721 125 HG2 GLU 16 2HG GLU 16 12.301 -12.236 -6.115 126 HG3 GLU 16 1HG GLU 16 13.402 -13.513 -5.598 127 H ASP 17 H ASP 17 9.133 -14.574 -8.520 128 HA ASP 17 HA ASP 17 9.718 -12.710 -10.568 129 HB2 ASP 17 2HB ASP 17 8.715 -15.058 -10.660 130 HB3 ASP 17 1HB ASP 17 7.167 -14.306 -10.270 131 H ARG 18 H ARG 18 7.689 -12.341 -7.833 132 HA ARG 18 HA ARG 18 5.693 -10.555 -8.921 133 HB2 ARG 18 2HB ARG 18 5.230 -10.164 -6.539 134 HB3 ARG 18 1HB ARG 18 5.494 -11.883 -6.836 135 HG2 ARG 18 2HG ARG 18 6.915 -11.648 -5.052 136 HG3 ARG 18 1HG ARG 18 8.030 -11.149 -6.321 137 HD2 ARG 18 2HD ARG 18 6.588 -8.819 -5.684 138 HD3 ARG 18 1HD ARG 18 6.976 -9.573 -4.124 139 HE ARG 18 HE ARG 18 9.187 -9.553 -6.055 140 HH11 ARG 18 1HH1 ARG 18 7.870 -6.848 -4.910 141 HH12 ARG 18 2HH1 ARG 18 9.110 -6.435 -3.773 142 HH21 ARG 18 1HH2 ARG 18 10.677 -9.523 -3.960 143 HH22 ARG 18 2HH2 ARG 18 10.698 -7.950 -3.236 144 H VAL 19 H VAL 19 9.004 -10.128 -8.191 145 HA VAL 19 HA VAL 19 9.236 -7.530 -7.187 146 HB VAL 19 HB VAL 19 10.797 -9.038 -9.301 147 HG11 VAL 19 1HG1 VAL 19 12.076 -7.218 -9.641 148 HG12 VAL 19 2HG1 VAL 19 12.360 -7.073 -7.907 149 HG13 VAL 19 3HG1 VAL 19 10.969 -6.277 -8.641 150 HG21 VAL 19 3HG2 VAL 19 12.314 -9.491 -7.425 151 HG22 VAL 19 1HG2 VAL 19 10.682 -10.014 -7.012 152 HG23 VAL 19 2HG2 VAL 19 11.314 -8.504 -6.358 153 H ASN 20 H ASN 20 8.812 -8.489 -10.611 154 HA ASN 20 HA ASN 20 8.809 -5.865 -11.722 155 HB2 ASN 20 2HB ASN 20 8.639 -8.442 -12.618 156 HB3 ASN 20 1HB ASN 20 6.982 -7.898 -12.874 157 HD21 ASN 20 1HD2 ASN 20 7.110 -5.365 -13.772 158 HD22 ASN 20 2HD2 ASN 20 8.119 -5.209 -15.128 159 H ASP 21 H ASP 21 6.294 -7.727 -10.084 160 HA ASP 21 HA ASP 21 4.074 -6.088 -10.840 161 HB2 ASP 21 2HB ASP 21 4.332 -8.485 -9.743 162 HB3 ASP 21 1HB ASP 21 4.271 -7.569 -8.241 163 H LEU 22 H LEU 22 5.923 -6.290 -7.788 164 HA LEU 22 HA LEU 22 4.734 -4.001 -6.554 165 HB2 LEU 22 2HB LEU 22 7.274 -5.592 -6.283 166 HB3 LEU 22 1HB LEU 22 7.064 -4.127 -5.322 167 HG LEU 22 HG LEU 22 6.271 -6.228 -4.173 168 HD11 LEU 22 1HD1 LEU 22 4.832 -4.895 -3.055 169 HD12 LEU 22 2HD1 LEU 22 3.749 -4.800 -4.444 170 HD13 LEU 22 3HD1 LEU 22 5.110 -3.685 -4.309 171 HD21 LEU 22 3HD2 LEU 22 4.237 -7.290 -4.967 172 HD22 LEU 22 1HD2 LEU 22 5.395 -7.268 -6.297 173 HD23 LEU 22 2HD2 LEU 22 4.073 -6.102 -6.261 174 H ALA 23 H ALA 23 7.550 -4.390 -8.673 175 HA ALA 23 HA ALA 23 8.567 -1.749 -8.515 176 HB1 ALA 23 1HB ALA 23 9.985 -3.228 -9.592 177 HB2 ALA 23 2HB ALA 23 9.226 -2.501 -11.008 178 HB3 ALA 23 3HB ALA 23 8.659 -4.058 -10.405 179 H ARG 24 H ARG 24 6.320 -3.196 -10.912 180 HA ARG 24 HA ARG 24 5.751 -0.716 -12.223 181 HB2 ARG 24 2HB ARG 24 5.427 -2.675 -13.466 182 HB3 ARG 24 1HB ARG 24 4.653 -3.509 -12.121 183 HG2 ARG 24 2HG ARG 24 2.618 -2.808 -12.757 184 HG3 ARG 24 1HG ARG 24 3.163 -1.136 -12.870 185 HD2 ARG 24 2HD ARG 24 2.712 -1.489 -15.114 186 HD3 ARG 24 1HD ARG 24 4.362 -2.144 -15.084 187 HE ARG 24 HE ARG 24 1.873 -3.746 -15.111 188 HH11 ARG 24 1HH2 ARG 24 4.901 -3.675 -16.348 189 HH12 ARG 24 2HH2 ARG 24 5.349 -5.292 -15.922 190 HH21 ARG 24 1HH1 ARG 24 2.608 -5.791 -13.857 191 HH22 ARG 24 2HH1 ARG 24 4.052 -6.491 -14.511 192 H GLU 25 H GLU 25 3.973 -2.682 -9.829 193 HA GLU 25 HA GLU 25 1.658 -1.110 -9.565 194 HB2 GLU 25 2HB GLU 25 2.049 -3.344 -8.607 195 HB3 GLU 25 1HB GLU 25 3.236 -2.667 -7.498 196 HG2 GLU 25 2HG GLU 25 1.328 -1.099 -6.726 197 HG3 GLU 25 1HG GLU 25 0.253 -2.238 -7.534 198 H LEU 26 H LEU 26 4.662 -0.923 -7.655 199 HA LEU 26 HA LEU 26 3.878 1.301 -6.039 200 HB2 LEU 26 2HB LEU 26 6.074 1.156 -5.242 201 HB3 LEU 26 1HB LEU 26 5.821 -0.460 -5.893 202 HG LEU 26 HG LEU 26 6.793 0.537 -8.097 203 HD11 LEU 26 1HD1 LEU 26 7.235 2.750 -7.939 204 HD12 LEU 26 2HD1 LEU 26 8.626 2.278 -6.964 205 HD13 LEU 26 3HD1 LEU 26 7.111 2.726 -6.179 206 HD21 LEU 26 3HD2 LEU 26 8.679 0.250 -5.749 207 HD22 LEU 26 1HD2 LEU 26 8.995 -0.146 -7.438 208 HD23 LEU 26 2HD2 LEU 26 7.870 -1.126 -6.498 209 H ARG 27 H ARG 27 5.488 1.140 -9.205 210 HA ARG 27 HA ARG 27 6.310 3.840 -9.430 211 HB2 ARG 27 2HB ARG 27 6.624 1.613 -10.822 212 HB3 ARG 27 1HB ARG 27 5.260 2.249 -11.737 213 HG2 ARG 27 2HG ARG 27 7.587 4.033 -11.110 214 HG3 ARG 27 1HG ARG 27 7.705 2.886 -12.445 215 HD2 ARG 27 2HD ARG 27 5.241 3.973 -12.931 216 HD3 ARG 27 1HD ARG 27 6.102 5.364 -12.242 217 HE ARG 27 HE ARG 27 7.960 4.760 -13.924 218 HH11 ARG 27 1HH2 ARG 27 5.442 6.113 -15.058 219 HH12 ARG 27 2HH2 ARG 27 5.179 5.158 -16.480 220 HH21 ARG 27 1HH1 ARG 27 7.285 2.595 -15.471 221 HH22 ARG 27 2HH1 ARG 27 6.222 3.168 -16.713 222 H ILE 28 H ILE 28 3.179 2.320 -10.323 223 HA ILE 28 HA ILE 28 2.055 4.670 -11.488 224 HB ILE 28 HB ILE 28 0.656 2.348 -10.135 225 HG12 ILE 28 2HG1 ILE 28 1.766 2.601 -12.950 226 HG13 ILE 28 1HG1 ILE 28 2.318 1.475 -11.709 227 HG21 ILE 28 1HG2 ILE 28 -0.120 4.201 -12.404 228 HG22 ILE 28 2HG2 ILE 28 -0.805 4.210 -10.781 229 HG23 ILE 28 3HG2 ILE 28 -1.078 2.831 -11.847 230 HD11 ILE 28 3HD1 ILE 28 -0.082 1.350 -13.428 231 HD12 ILE 28 1HD1 ILE 28 -0.355 0.933 -11.736 232 HD13 ILE 28 2HD1 ILE 28 0.839 0.044 -12.684 233 H ARG 29 H ARG 29 1.942 3.276 -8.231 234 HA ARG 29 HA ARG 29 0.153 5.286 -7.150 235 HB2 ARG 29 2HB ARG 29 2.097 3.327 -5.887 236 HB3 ARG 29 1HB ARG 29 0.809 4.170 -5.033 237 HG2 ARG 29 2HG ARG 29 -0.868 2.927 -6.032 238 HG3 ARG 29 1HG ARG 29 0.087 2.619 -7.482 239 HD2 ARG 29 2HD ARG 29 -0.061 0.535 -6.231 240 HD3 ARG 29 1HD ARG 29 1.595 1.149 -6.053 241 HE ARG 29 HE ARG 29 -0.383 1.988 -4.009 242 HH11 ARG 29 1HH1 ARG 29 1.786 -0.491 -4.899 243 HH12 ARG 29 2HH1 ARG 29 2.502 -0.633 -3.329 244 HH21 ARG 29 1HH2 ARG 29 0.757 2.052 -1.998 245 HH22 ARG 29 2HH2 ARG 29 1.920 0.807 -1.685 246 H ASP 30 H ASP 30 1.754 7.012 -8.278 247 HA ASP 30 HA ASP 30 4.241 7.665 -7.002 248 HB2 ASP 30 2HB ASP 30 2.594 8.565 -9.108 249 HB3 ASP 30 1HB ASP 30 2.777 9.949 -8.031 250 H ASN 31 H ASN 31 0.887 8.405 -6.237 251 HA ASN 31 HA ASN 31 1.277 10.570 -4.419 252 HB2 ASN 31 2HB ASN 31 -0.896 10.011 -5.289 253 HB3 ASN 31 1HB ASN 31 -0.787 8.364 -4.664 254 HD21 ASN 31 1HD2 ASN 31 -2.078 8.128 -2.843 255 HD22 ASN 31 2HD2 ASN 31 -2.316 9.313 -1.652 256 H VAL 32 H VAL 32 2.146 7.253 -4.137 257 HA VAL 32 HA VAL 32 1.910 7.082 -1.231 258 HB VAL 32 HB VAL 32 1.873 5.257 -3.109 259 HG11 VAL 32 1HG1 VAL 32 4.842 5.380 -2.516 260 HG12 VAL 32 2HG1 VAL 32 4.118 5.968 -4.011 261 HG13 VAL 32 3HG1 VAL 32 4.025 4.255 -3.600 262 HG21 VAL 32 3HG2 VAL 32 3.586 4.106 -1.109 263 HG22 VAL 32 1HG2 VAL 32 1.839 3.941 -1.289 264 HG23 VAL 32 2HG2 VAL 32 2.507 5.277 -0.349 265 H ARG 33 H ARG 33 3.374 7.890 0.190 266 HA ARG 33 HA ARG 33 5.846 9.139 -0.733 267 HB2 ARG 33 2HB ARG 33 4.791 10.315 0.966 268 HB3 ARG 33 1HB ARG 33 4.241 8.852 1.778 269 HG2 ARG 33 2HG ARG 33 6.236 8.554 2.896 270 HG3 ARG 33 1HG ARG 33 7.183 9.356 1.643 271 HD2 ARG 33 2HD ARG 33 6.613 11.512 2.413 272 HD3 ARG 33 1HD ARG 33 5.200 10.914 3.307 273 HE ARG 33 HE ARG 33 7.213 9.545 4.523 274 HH11 ARG 33 1HH1 ARG 33 9.082 11.690 3.492 275 HH12 ARG 33 2HH1 ARG 33 9.098 12.803 4.818 276 HH21 ARG 33 1HH2 ARG 33 6.261 11.477 6.308 277 HH22 ARG 33 2HH2 ARG 33 7.500 12.683 6.414 278 H ARG 34 H ARG 34 5.023 6.324 1.351 279 HA ARG 34 HA ARG 34 7.663 5.144 0.670 280 HB2 ARG 34 2HB ARG 34 7.513 6.743 2.811 281 HB3 ARG 34 1HB ARG 34 6.923 5.260 3.560 282 HG2 ARG 34 2HG ARG 34 8.921 4.064 2.966 283 HG3 ARG 34 1HG ARG 34 9.474 5.385 1.934 284 HD2 ARG 34 2HD ARG 34 8.999 6.514 4.501 285 HD3 ARG 34 1HD ARG 34 9.935 5.028 4.752 286 HE ARG 34 HE ARG 34 11.729 6.002 3.543 287 HH11 ARG 34 1HH2 ARG 34 10.012 8.535 4.469 288 HH12 ARG 34 2HH2 ARG 34 10.207 9.509 3.051 289 HH21 ARG 34 1HH1 ARG 34 11.455 6.917 1.114 290 HH22 ARG 34 2HH1 ARG 34 11.023 8.594 1.151 291 H VAL 35 H VAL 35 7.291 3.034 0.221 292 HA VAL 35 HA VAL 35 5.202 1.548 1.776 293 HB VAL 35 HB VAL 35 4.336 2.082 -0.435 294 HG11 VAL 35 1HG1 VAL 35 6.060 0.773 -2.222 295 HG12 VAL 35 2HG1 VAL 35 7.124 1.693 -1.159 296 HG13 VAL 35 3HG1 VAL 35 5.847 2.516 -2.054 297 HG21 VAL 35 3HG2 VAL 35 3.535 -0.020 -0.587 298 HG22 VAL 35 1HG2 VAL 35 4.831 -0.570 0.474 299 HG23 VAL 35 2HG2 VAL 35 5.064 -0.571 -1.274 300 H MET 36 H MET 36 6.113 -0.276 2.724 301 HA MET 36 HA MET 36 8.707 -1.223 1.651 302 HB2 MET 36 2HB MET 36 8.036 -0.211 4.128 303 HB3 MET 36 1HB MET 36 8.001 -1.954 4.395 304 HG2 MET 36 2HG MET 36 10.252 -1.499 4.775 305 HG3 MET 36 1HG MET 36 10.276 -1.899 3.057 306 HE1 MET 36 3HE MET 36 10.551 2.187 5.070 307 HE2 MET 36 1HE MET 36 10.182 0.608 5.779 308 HE3 MET 36 2HE MET 36 8.950 1.478 4.867 309 H VAL 37 H VAL 37 8.463 -3.140 0.586 310 HA VAL 37 HA VAL 37 6.431 -5.089 1.617 311 HB VAL 37 HB VAL 37 7.652 -4.857 -1.148 312 HG11 VAL 37 1HG1 VAL 37 5.044 -5.958 -1.164 313 HG12 VAL 37 2HG1 VAL 37 5.908 -6.751 0.154 314 HG13 VAL 37 3HG1 VAL 37 6.562 -6.798 -1.483 315 HG21 VAL 37 3HG2 VAL 37 4.870 -4.036 -0.885 316 HG22 VAL 37 1HG2 VAL 37 6.214 -3.188 -1.647 317 HG23 VAL 37 2HG2 VAL 37 5.936 -3.023 0.087 318 H VAL 38 H VAL 38 7.335 -6.915 2.522 319 HA VAL 38 HA VAL 38 10.157 -7.592 1.759 320 HB VAL 38 HB VAL 38 8.725 -8.323 4.320 321 HG11 VAL 38 1HG1 VAL 38 10.717 -9.202 4.901 322 HG12 VAL 38 2HG1 VAL 38 11.561 -7.719 4.451 323 HG13 VAL 38 3HG1 VAL 38 11.239 -8.954 3.236 324 HG21 VAL 38 3HG2 VAL 38 9.991 -6.285 5.244 325 HG22 VAL 38 1HG2 VAL 38 8.552 -5.947 4.282 326 HG23 VAL 38 2HG2 VAL 38 10.154 -5.766 3.567 327 H ALA 39 H ALA 39 10.671 -9.913 1.763 328 HA ALA 39 HA ALA 39 8.583 -11.535 0.517 329 HB1 ALA 39 1HB ALA 39 11.502 -11.740 1.174 330 HB2 ALA 39 2HB ALA 39 10.703 -11.855 -0.394 331 HB3 ALA 39 3HB ALA 39 10.624 -13.206 0.737 332 H SER 40 H SER 40 7.834 -13.584 1.362 333 HA SER 40 HA SER 40 7.334 -13.582 4.226 334 HB2 SER 40 2HB SER 40 6.522 -16.009 3.352 335 HB3 SER 40 1HB SER 40 5.595 -14.538 3.068 336 HG SER 40 HG SER 40 7.561 -15.628 1.327 337 H THR 41 H THR 41 7.619 -16.128 5.107 338 HA THR 41 HA THR 41 10.575 -16.468 5.183 339 HB THR 41 HB THR 41 9.297 -16.185 7.275 340 HG1 THR 41 1HG THR 41 11.073 -17.490 7.457 341 HG21 THR 41 3HG2 THR 41 7.287 -17.151 7.550 342 HG22 THR 41 1HG2 THR 41 7.996 -18.754 7.348 343 HG23 THR 41 2HG2 THR 41 7.441 -17.851 5.938 344 H THR 42 H THR 42 8.083 -17.714 3.377 345 HA THR 42 HA THR 42 9.636 -20.106 2.699 346 HB THR 42 HB THR 42 7.156 -20.092 4.370 347 HG1 THR 42 1HG THR 42 9.227 -20.577 5.206 348 HG21 THR 42 3HG2 THR 42 6.470 -21.275 2.315 349 HG22 THR 42 1HG2 THR 42 6.615 -22.389 3.673 350 HG23 THR 42 2HG2 THR 42 7.884 -22.319 2.449 351 HA PRO 43 HA PRO 43 5.893 -19.908 -0.260 352 HB2 PRO 43 2HB PRO 43 3.893 -18.111 0.285 353 HB3 PRO 43 1HB PRO 43 3.891 -19.782 0.884 354 HG2 PRO 43 2HG PRO 43 4.681 -17.272 2.287 355 HG3 PRO 43 1HG PRO 43 3.751 -18.655 2.889 356 HD2 PRO 43 2HD PRO 43 6.358 -18.308 3.481 357 HD3 PRO 43 1HD PRO 43 5.632 -19.919 3.296 358 H GLY 44 H GLY 44 4.747 -17.834 -1.615 359 HA2 GLY 44 2HA GLY 44 7.004 -15.977 -1.980 360 HA3 GLY 44 1HA GLY 44 5.874 -16.426 -3.248 361 H ARG 45 H ARG 45 4.793 -15.630 0.002 362 HA ARG 45 HA ARG 45 3.277 -13.361 -1.165 363 HB2 ARG 45 2HB ARG 45 2.071 -13.442 0.984 364 HB3 ARG 45 1HB ARG 45 2.105 -15.009 0.203 365 HG2 ARG 45 2HG ARG 45 4.382 -15.140 1.699 366 HG3 ARG 45 1HG ARG 45 3.367 -14.126 2.721 367 HD2 ARG 45 2HD ARG 45 1.523 -15.884 2.392 368 HD3 ARG 45 1HD ARG 45 2.798 -16.935 1.744 369 HE ARG 45 HE ARG 45 3.884 -15.928 4.093 370 HH11 ARG 45 1HH1 ARG 45 0.624 -16.718 3.793 371 HH12 ARG 45 2HH1 ARG 45 0.623 -17.913 5.046 372 HH21 ARG 45 1HH2 ARG 45 4.065 -17.862 5.463 373 HH22 ARG 45 2HH2 ARG 45 2.571 -18.561 5.991 374 H TYR 46 H TYR 46 3.211 -11.332 -0.011 375 HA TYR 46 HA TYR 46 5.705 -10.718 1.527 376 HB2 TYR 46 2HB TYR 46 4.413 -9.183 -0.725 377 HB3 TYR 46 1HB TYR 46 5.787 -8.623 0.204 378 HD1 TYR 46 1HD TYR 46 4.638 -11.404 -2.004 379 HD2 TYR 46 2HD TYR 46 7.981 -9.316 -0.304 380 HE1 TYR 46 1HE TYR 46 6.184 -12.695 -3.452 381 HE2 TYR 46 2HE TYR 46 9.525 -10.606 -1.747 382 HH TYR 46 HH TYR 46 8.364 -12.637 -4.325 383 H GLU 47 H GLU 47 5.524 -8.920 2.924 384 HA GLU 47 HA GLU 47 2.749 -8.388 3.883 385 HB2 GLU 47 2HB GLU 47 4.070 -7.499 5.876 386 HB3 GLU 47 1HB GLU 47 4.294 -9.216 5.543 387 HG2 GLU 47 2HG GLU 47 6.469 -8.941 4.890 388 HG3 GLU 47 1HG GLU 47 6.152 -7.377 4.139 389 H VAL 48 H VAL 48 2.062 -6.715 2.459 390 HA VAL 48 HA VAL 48 3.796 -4.445 1.843 391 HB VAL 48 HB VAL 48 0.893 -5.143 1.380 392 HG11 VAL 48 1HG1 VAL 48 0.623 -2.872 1.260 393 HG12 VAL 48 2HG1 VAL 48 1.349 -3.098 -0.332 394 HG13 VAL 48 3HG1 VAL 48 2.348 -2.579 1.026 395 HG21 VAL 48 3HG2 VAL 48 1.612 -5.449 -0.911 396 HG22 VAL 48 1HG2 VAL 48 2.727 -6.344 0.122 397 HG23 VAL 48 2HG2 VAL 48 3.204 -4.785 -0.550 398 H ASN 49 H ASN 49 4.143 -2.824 3.262 399 HA ASN 49 HA ASN 49 1.915 -1.914 5.024 400 HB2 ASN 49 2HB ASN 49 4.855 -1.984 5.769 401 HB3 ASN 49 1HB ASN 49 3.476 -1.766 6.846 402 HD21 ASN 49 1HD2 ASN 49 5.627 -4.103 5.590 403 HD22 ASN 49 2HD2 ASN 49 4.765 -5.492 6.049 404 H ILE 50 H ILE 50 1.477 -0.074 3.793 405 HA ILE 50 HA ILE 50 3.810 1.710 3.179 406 HB ILE 50 HB ILE 50 2.578 0.674 1.286 407 HG12 ILE 50 2HG1 ILE 50 3.649 3.024 1.254 408 HG13 ILE 50 1HG1 ILE 50 2.510 2.634 -0.032 409 HG21 ILE 50 1HG2 ILE 50 0.358 0.417 1.722 410 HG22 ILE 50 2HG2 ILE 50 0.242 2.027 1.011 411 HG23 ILE 50 3HG2 ILE 50 0.291 1.838 2.763 412 HD11 ILE 50 3HD1 ILE 50 2.372 4.798 1.795 413 HD12 ILE 50 1HD1 ILE 50 1.058 3.701 2.216 414 HD13 ILE 50 2HD1 ILE 50 1.182 4.340 0.580 415 H VAL 51 H VAL 51 3.672 3.900 3.658 416 HA VAL 51 HA VAL 51 1.438 4.712 5.478 417 HB VAL 51 HB VAL 51 3.632 4.785 6.489 418 HG11 VAL 51 1HG1 VAL 51 5.149 6.614 5.062 419 HG12 VAL 51 2HG1 VAL 51 4.388 5.655 3.792 420 HG13 VAL 51 3HG1 VAL 51 5.365 4.864 5.031 421 HG21 VAL 51 3HG2 VAL 51 2.684 7.513 5.571 422 HG22 VAL 51 1HG2 VAL 51 3.942 7.288 6.787 423 HG23 VAL 51 2HG2 VAL 51 2.306 6.704 7.092 424 H LEU 52 H LEU 52 -0.039 6.056 4.523 425 HA LEU 52 HA LEU 52 0.579 7.362 1.959 426 HB2 LEU 52 2HB LEU 52 -1.777 6.791 3.696 427 HB3 LEU 52 1HB LEU 52 -1.919 8.133 2.559 428 HG LEU 52 HG LEU 52 -0.693 5.748 1.374 429 HD11 LEU 52 1HD1 LEU 52 -3.034 4.657 1.212 430 HD12 LEU 52 2HD1 LEU 52 -3.436 5.631 2.626 431 HD13 LEU 52 3HD1 LEU 52 -2.138 4.440 2.715 432 HD21 LEU 52 3HD2 LEU 52 -1.411 7.056 -0.333 433 HD22 LEU 52 1HD2 LEU 52 -2.515 7.948 0.712 434 HD23 LEU 52 2HD2 LEU 52 -3.018 6.412 0.006 435 H ASN 53 H ASN 53 -0.470 9.683 1.811 436 HA ASN 53 HA ASN 53 1.137 11.609 2.980 437 HB2 ASN 53 2HB ASN 53 -1.652 11.477 1.900 438 HB3 ASN 53 1HB ASN 53 -1.119 12.993 2.622 439 HD21 ASN 53 1HD2 ASN 53 0.973 10.682 0.880 440 HD22 ASN 53 2HD2 ASN 53 1.354 11.732 -0.398 441 HA PRO 54 HA PRO 54 0.010 12.264 7.157 442 HB2 PRO 54 2HB PRO 54 -0.684 14.918 7.330 443 HB3 PRO 54 1HB PRO 54 0.990 14.348 7.179 444 HG2 PRO 54 2HG PRO 54 -0.856 15.362 5.059 445 HG3 PRO 54 1HG PRO 54 0.860 15.724 5.326 446 HD2 PRO 54 2HD PRO 54 0.089 13.982 3.451 447 HD3 PRO 54 1HD PRO 54 1.568 13.719 4.400 448 H ASN 55 H ASN 55 -2.332 12.885 4.716 449 HA ASN 55 HA ASN 55 -4.504 12.351 6.695 450 HB2 ASN 55 2HB ASN 55 -4.165 14.806 6.175 451 HB3 ASN 55 1HB ASN 55 -4.591 14.439 4.503 452 HD21 ASN 55 1HD2 ASN 55 -5.883 15.081 7.653 453 HD22 ASN 55 2HD2 ASN 55 -7.513 14.797 7.276 454 H LEU 56 H LEU 56 -4.102 10.160 5.517 455 HA LEU 56 HA LEU 56 -4.717 9.841 2.739 456 HB2 LEU 56 2HB LEU 56 -5.216 7.427 3.538 457 HB3 LEU 56 1HB LEU 56 -3.610 8.061 3.843 458 HG LEU 56 HG LEU 56 -4.146 8.499 6.171 459 HD11 LEU 56 1HD1 LEU 56 -6.360 9.293 6.186 460 HD12 LEU 56 2HD1 LEU 56 -6.524 7.692 6.906 461 HD13 LEU 56 3HD1 LEU 56 -6.952 7.945 5.214 462 HD21 LEU 56 3HD2 LEU 56 -4.153 5.955 5.003 463 HD22 LEU 56 1HD2 LEU 56 -5.514 5.928 6.121 464 HD23 LEU 56 2HD2 LEU 56 -3.901 6.323 6.709 465 H ASP 57 H ASP 57 -6.727 8.733 1.910 466 HA ASP 57 HA ASP 57 -9.183 8.965 3.471 467 HB2 ASP 57 2HB ASP 57 -10.002 10.673 1.657 468 HB3 ASP 57 1HB ASP 57 -9.071 11.254 3.030 469 H GLN 58 H GLN 58 -11.122 8.458 2.033 470 HA GLN 58 HA GLN 58 -10.778 6.098 0.555 471 HB2 GLN 58 2HB GLN 58 -12.885 8.260 0.624 472 HB3 GLN 58 1HB GLN 58 -13.093 6.804 -0.350 473 HG2 GLN 58 2HG GLN 58 -12.479 5.534 1.843 474 HG3 GLN 58 1HG GLN 58 -12.884 7.053 2.644 475 HE21 GLN 58 1HE2 GLN 58 -15.140 7.872 2.347 476 HE22 GLN 58 2HE2 GLN 58 -16.384 6.786 1.953 477 H SER 59 H SER 59 -10.843 9.474 -0.562 478 HA SER 59 HA SER 59 -10.838 8.938 -3.357 479 HB2 SER 59 2HB SER 59 -10.794 11.128 -1.583 480 HB3 SER 59 1HB SER 59 -9.371 11.317 -2.603 481 HG SER 59 HG SER 59 -11.490 12.179 -3.374 482 H GLN 60 H GLN 60 -8.192 9.521 -1.038 483 HA GLN 60 HA GLN 60 -6.066 9.203 -2.973 484 HB2 GLN 60 2HB GLN 60 -6.363 9.174 0.031 485 HB3 GLN 60 1HB GLN 60 -4.811 8.801 -0.711 486 HG2 GLN 60 2HG GLN 60 -6.214 11.230 -1.703 487 HG3 GLN 60 1HG GLN 60 -5.529 11.314 -0.081 488 HE21 GLN 60 1HE2 GLN 60 -3.221 11.353 0.126 489 HE22 GLN 60 2HE2 GLN 60 -2.179 11.409 -1.214 490 H LEU 61 H LEU 61 -7.652 7.027 -0.641 491 HA LEU 61 HA LEU 61 -6.000 4.734 -1.093 492 HB2 LEU 61 2HB LEU 61 -8.834 5.185 -0.160 493 HB3 LEU 61 1HB LEU 61 -8.151 3.562 -0.291 494 HG LEU 61 HG LEU 61 -6.548 5.640 1.140 495 HD11 LEU 61 1HD1 LEU 61 -9.245 5.054 1.855 496 HD12 LEU 61 2HD1 LEU 61 -8.061 5.988 2.770 497 HD13 LEU 61 3HD1 LEU 61 -8.202 4.249 3.026 498 HD21 LEU 61 3HD2 LEU 61 -6.421 3.371 2.597 499 HD22 LEU 61 1HD2 LEU 61 -5.400 3.647 1.184 500 HD23 LEU 61 2HD2 LEU 61 -6.868 2.681 1.037 501 H ALA 62 H ALA 62 -8.869 5.982 -2.771 502 HA ALA 62 HA ALA 62 -9.581 3.776 -4.344 503 HB1 ALA 62 1HB ALA 62 -10.663 5.400 -5.688 504 HB2 ALA 62 2HB ALA 62 -9.389 6.589 -5.418 505 HB3 ALA 62 3HB ALA 62 -10.525 6.204 -4.124 506 H LEU 63 H LEU 63 -7.098 6.244 -4.854 507 HA LEU 63 HA LEU 63 -6.102 5.205 -7.308 508 HB2 LEU 63 2HB LEU 63 -5.017 6.898 -5.050 509 HB3 LEU 63 1HB LEU 63 -4.068 6.564 -6.493 510 HG LEU 63 HG LEU 63 -6.846 7.761 -6.563 511 HD11 LEU 63 1HD1 LEU 63 -5.459 9.857 -7.225 512 HD12 LEU 63 2HD1 LEU 63 -4.117 9.036 -6.426 513 HD13 LEU 63 3HD1 LEU 63 -5.572 9.442 -5.514 514 HD21 LEU 63 3HD2 LEU 63 -6.622 7.213 -8.748 515 HD22 LEU 63 1HD2 LEU 63 -4.918 6.807 -8.545 516 HD23 LEU 63 2HD2 LEU 63 -5.398 8.479 -8.831 517 H GLU 64 H GLU 64 -5.052 4.774 -3.909 518 HA GLU 64 HA GLU 64 -2.956 2.928 -4.539 519 HB2 GLU 64 2HB GLU 64 -4.515 3.810 -2.151 520 HB3 GLU 64 1HB GLU 64 -3.590 2.316 -1.997 521 HG2 GLU 64 2HG GLU 64 -2.047 4.402 -3.325 522 HG3 GLU 64 1HG GLU 64 -2.588 4.909 -1.724 523 H LYS 65 H LYS 65 -6.385 2.338 -3.544 524 HA LYS 65 HA LYS 65 -5.994 -0.545 -3.722 525 HB2 LYS 65 2HB LYS 65 -8.482 -0.570 -3.466 526 HB3 LYS 65 1HB LYS 65 -7.677 0.415 -2.249 527 HG2 LYS 65 2HG LYS 65 -8.120 2.237 -4.265 528 HG3 LYS 65 1HG LYS 65 -9.552 1.214 -4.362 529 HD2 LYS 65 2HD LYS 65 -8.632 2.073 -1.651 530 HD3 LYS 65 1HD LYS 65 -9.458 3.262 -2.654 531 HE2 LYS 65 2HE LYS 65 -11.376 1.742 -2.925 532 HE3 LYS 65 1HE LYS 65 -10.545 0.513 -1.951 533 HZ1 LYS 65 3HZ LYS 65 -10.600 3.153 -0.772 534 HZ2 LYS 65 1HZ LYS 65 -10.902 1.644 -0.060 535 HZ3 LYS 65 2HZ LYS 65 -12.131 2.434 -0.927 536 H GLU 66 H GLU 66 -7.196 1.950 -5.959 537 HA GLU 66 HA GLU 66 -8.065 0.009 -7.920 538 HB2 GLU 66 2HB GLU 66 -7.479 2.978 -8.071 539 HB3 GLU 66 1HB GLU 66 -8.290 2.050 -9.331 540 HG2 GLU 66 2HG GLU 66 -10.167 1.597 -7.949 541 HG3 GLU 66 1HG GLU 66 -9.310 2.096 -6.489 542 H ILE 67 H ILE 67 -5.162 2.048 -7.452 543 HA ILE 67 HA ILE 67 -3.938 1.160 -9.933 544 HB ILE 67 HB ILE 67 -2.867 2.567 -7.467 545 HG12 ILE 67 2HG1 ILE 67 -4.571 3.972 -8.344 546 HG13 ILE 67 1HG1 ILE 67 -3.122 4.565 -9.130 547 HG21 ILE 67 1HG2 ILE 67 -1.177 3.425 -9.148 548 HG22 ILE 67 2HG2 ILE 67 -1.768 2.184 -10.252 549 HG23 ILE 67 3HG2 ILE 67 -1.019 1.720 -8.726 550 HD11 ILE 67 3HD1 ILE 67 -5.388 2.975 -10.250 551 HD12 ILE 67 1HD1 ILE 67 -3.784 2.746 -10.948 552 HD13 ILE 67 2HD1 ILE 67 -4.528 4.346 -10.954 553 H ILE 68 H ILE 68 -3.692 0.192 -6.503 554 HA ILE 68 HA ILE 68 -1.410 -1.547 -6.889 555 HB ILE 68 HB ILE 68 -3.643 -1.355 -4.846 556 HG12 ILE 68 2HG1 ILE 68 -0.686 -0.759 -4.566 557 HG13 ILE 68 1HG1 ILE 68 -1.853 0.460 -5.079 558 HG21 ILE 68 1HG2 ILE 68 -3.056 -3.385 -4.076 559 HG22 ILE 68 2HG2 ILE 68 -1.438 -2.756 -3.763 560 HG23 ILE 68 3HG2 ILE 68 -1.800 -3.528 -5.306 561 HD11 ILE 68 3HD1 ILE 68 -1.221 -0.251 -2.435 562 HD12 ILE 68 1HD1 ILE 68 -2.812 -0.952 -2.734 563 HD13 ILE 68 2HD1 ILE 68 -2.553 0.778 -2.961 564 H GLN 69 H GLN 69 -4.936 -2.117 -6.809 565 HA GLN 69 HA GLN 69 -4.880 -4.936 -7.200 566 HB2 GLN 69 2HB GLN 69 -6.779 -2.665 -7.673 567 HB3 GLN 69 1HB GLN 69 -7.187 -4.246 -8.340 568 HG2 GLN 69 2HG GLN 69 -6.684 -5.176 -5.994 569 HG3 GLN 69 1HG GLN 69 -6.751 -3.501 -5.447 570 HE21 GLN 69 1HE2 GLN 69 -8.666 -6.159 -5.589 571 HE22 GLN 69 2HE2 GLN 69 -10.183 -5.431 -5.817 572 H ARG 70 H ARG 70 -5.158 -2.290 -9.601 573 HA ARG 70 HA ARG 70 -5.268 -3.888 -11.921 574 HB2 ARG 70 2HB ARG 70 -5.271 -1.202 -11.206 575 HB3 ARG 70 1HB ARG 70 -3.824 -1.362 -12.203 576 HG2 ARG 70 2HG ARG 70 -5.656 -2.845 -13.620 577 HG3 ARG 70 1HG ARG 70 -6.660 -1.546 -12.973 578 HD2 ARG 70 2HD ARG 70 -4.031 -0.716 -14.103 579 HD3 ARG 70 1HD ARG 70 -5.252 -1.270 -15.265 580 HE ARG 70 HE ARG 70 -6.476 0.479 -13.343 581 HH11 ARG 70 1HH1 ARG 70 -4.069 0.575 -15.795 582 HH12 ARG 70 2HH1 ARG 70 -4.571 2.109 -16.422 583 HH21 ARG 70 1HH2 ARG 70 -7.258 2.417 -14.254 584 HH22 ARG 70 2HH2 ARG 70 -6.375 3.152 -15.550 585 H ALA 71 H ALA 71 -2.413 -2.472 -10.273 586 HA ALA 71 HA ALA 71 -0.499 -3.371 -12.179 587 HB1 ALA 71 1HB ALA 71 1.074 -2.918 -10.281 588 HB2 ALA 71 2HB ALA 71 -0.326 -2.744 -9.223 589 HB3 ALA 71 3HB ALA 71 -0.080 -1.611 -10.551 590 H LEU 72 H LEU 72 -1.505 -4.781 -9.052 591 HA LEU 72 HA LEU 72 0.159 -7.092 -9.219 592 HB2 LEU 72 2HB LEU 72 -2.444 -6.497 -7.791 593 HB3 LEU 72 1HB LEU 72 -1.450 -7.917 -7.464 594 HG LEU 72 HG LEU 72 -0.672 -5.014 -7.099 595 HD11 LEU 72 1HD1 LEU 72 -1.181 -7.364 -5.282 596 HD12 LEU 72 2HD1 LEU 72 -1.860 -5.739 -5.196 597 HD13 LEU 72 3HD1 LEU 72 -0.174 -6.015 -4.758 598 HD21 LEU 72 3HD2 LEU 72 1.483 -6.155 -6.197 599 HD22 LEU 72 1HD2 LEU 72 1.303 -5.997 -7.944 600 HD23 LEU 72 2HD2 LEU 72 0.975 -7.542 -7.160 601 H GLU 73 H GLU 73 -3.144 -6.446 -10.277 602 HA GLU 73 HA GLU 73 -3.762 -9.127 -11.085 603 HB2 GLU 73 2HB GLU 73 -4.872 -6.365 -11.421 604 HB3 GLU 73 1HB GLU 73 -5.507 -7.645 -12.448 605 HG2 GLU 73 2HG GLU 73 -5.255 -8.152 -9.506 606 HG3 GLU 73 1HG GLU 73 -6.602 -7.176 -10.090 607 H ASN 74 H ASN 74 -2.674 -6.197 -12.781 608 HA ASN 74 HA ASN 74 -2.580 -7.268 -15.403 609 HB2 ASN 74 2HB ASN 74 -2.339 -4.860 -14.500 610 HB3 ASN 74 1HB ASN 74 -0.647 -5.266 -14.228 611 HD21 ASN 74 1HD2 ASN 74 -1.947 -3.377 -16.263 612 HD22 ASN 74 2HD2 ASN 74 -1.331 -3.891 -17.760 613 H TYR 75 H TYR 75 -0.286 -7.307 -12.696 614 HA TYR 75 HA TYR 75 1.842 -8.568 -14.248 615 HB2 TYR 75 2HB TYR 75 2.530 -7.279 -12.392 616 HB3 TYR 75 1HB TYR 75 1.269 -7.944 -11.352 617 HD1 TYR 75 1HD TYR 75 1.367 -10.378 -10.747 618 HD2 TYR 75 2HD TYR 75 4.678 -8.299 -12.488 619 HE1 TYR 75 1HE TYR 75 2.890 -12.197 -10.002 620 HE2 TYR 75 2HE TYR 75 6.204 -10.105 -11.762 621 HH TYR 75 HH TYR 75 5.142 -13.112 -10.749 622 H GLY 76 H GLY 76 -0.802 -9.650 -12.169 623 HA2 GLY 76 2HA GLY 76 -1.758 -11.883 -12.717 624 HA3 GLY 76 1HA GLY 76 -0.098 -12.441 -12.835 625 H ALA 77 H ALA 77 -0.402 -10.221 -10.311 626 HA ALA 77 HA ALA 77 -0.409 -12.452 -8.323 627 HB1 ALA 77 1HB ALA 77 1.491 -10.740 -8.612 628 HB2 ALA 77 2HB ALA 77 0.874 -10.948 -6.973 629 HB3 ALA 77 3HB ALA 77 0.378 -9.554 -7.932 630 H ARG 78 H ARG 78 -2.178 -12.642 -6.979 631 HA ARG 78 HA ARG 78 -4.110 -10.346 -6.883 632 HB2 ARG 78 2HB ARG 78 -4.312 -13.171 -7.468 633 HB3 ARG 78 1HB ARG 78 -5.331 -12.770 -6.086 634 HG2 ARG 78 2HG ARG 78 -6.192 -10.800 -7.480 635 HG3 ARG 78 1HG ARG 78 -5.403 -11.569 -8.858 636 HD2 ARG 78 2HD ARG 78 -7.572 -12.795 -7.115 637 HD3 ARG 78 1HD ARG 78 -7.721 -12.317 -8.818 638 HE ARG 78 HE ARG 78 -5.717 -14.373 -7.976 639 HH11 ARG 78 1HH1 ARG 78 -8.304 -15.632 -8.500 640 HH12 ARG 78 2HH1 ARG 78 -8.273 -15.926 -10.206 641 HH21 ARG 78 1HH2 ARG 78 -5.669 -13.716 -10.806 642 HH22 ARG 78 2HH2 ARG 78 -6.781 -14.841 -11.511 643 H VAL 79 H VAL 79 -4.687 -9.579 -4.841 644 HA VAL 79 HA VAL 79 -3.164 -10.516 -2.531 645 HB VAL 79 HB VAL 79 -5.496 -8.615 -2.440 646 HG11 VAL 79 1HG1 VAL 79 -3.629 -9.414 -0.599 647 HG12 VAL 79 2HG1 VAL 79 -4.501 -7.882 -0.534 648 HG13 VAL 79 3HG1 VAL 79 -2.887 -7.949 -1.240 649 HG21 VAL 79 3HG2 VAL 79 -3.005 -8.335 -4.034 650 HG22 VAL 79 1HG2 VAL 79 -3.428 -6.949 -3.028 651 HG23 VAL 79 2HG2 VAL 79 -4.566 -7.540 -4.241 652 H GLU 80 H GLU 80 -3.828 -12.318 -1.451 653 HA GLU 80 HA GLU 80 -6.598 -13.264 -1.611 654 HB2 GLU 80 2HB GLU 80 -5.244 -15.102 -1.526 655 HB3 GLU 80 1HB GLU 80 -3.908 -14.178 -0.838 656 HG2 GLU 80 2HG GLU 80 -4.796 -14.401 1.384 657 HG3 GLU 80 1HG GLU 80 -6.313 -15.070 0.780 658 H LYS 81 H LYS 81 -4.991 -10.983 0.275 659 HA LYS 81 HA LYS 81 -6.923 -11.356 2.528 660 HB2 LYS 81 2HB LYS 81 -5.104 -10.839 3.992 661 HB3 LYS 81 1HB LYS 81 -4.476 -12.000 2.826 662 HG2 LYS 81 2HG LYS 81 -2.840 -10.503 2.415 663 HG3 LYS 81 1HG LYS 81 -4.066 -9.555 1.574 664 HD2 LYS 81 2HD LYS 81 -3.173 -8.031 3.133 665 HD3 LYS 81 1HD LYS 81 -4.630 -8.620 3.936 666 HE2 LYS 81 2HE LYS 81 -3.340 -9.286 5.673 667 HE3 LYS 81 1HE LYS 81 -2.537 -10.440 4.590 668 HZ1 LYS 81 3HZ LYS 81 -0.859 -8.980 5.349 669 HZ2 LYS 81 1HZ LYS 81 -1.814 -7.606 5.076 670 HZ3 LYS 81 2HZ LYS 81 -1.212 -8.495 3.759 671 H VAL 82 H VAL 82 -7.603 -9.404 3.558 672 HA VAL 82 HA VAL 82 -6.851 -6.815 2.282 673 HB VAL 82 HB VAL 82 -9.705 -7.703 2.827 674 HG11 VAL 82 1HG1 VAL 82 -8.567 -5.419 1.185 675 HG12 VAL 82 2HG1 VAL 82 -9.245 -5.255 2.805 676 HG13 VAL 82 3HG1 VAL 82 -10.276 -5.750 1.463 677 HG21 VAL 82 3HG2 VAL 82 -9.866 -7.933 0.339 678 HG22 VAL 82 1HG2 VAL 82 -8.774 -9.115 1.061 679 HG23 VAL 82 2HG2 VAL 82 -8.121 -7.699 0.236 680 H GLU 83 H GLU 83 -5.955 -5.861 4.118 681 HA GLU 83 HA GLU 83 -7.610 -5.954 6.619 682 HB2 GLU 83 2HB GLU 83 -4.596 -6.017 6.272 683 HB3 GLU 83 1HB GLU 83 -5.442 -6.020 7.820 684 HG2 GLU 83 2HG GLU 83 -5.613 -8.141 5.662 685 HG3 GLU 83 1HG GLU 83 -4.868 -8.312 7.251 686 H GLU 84 H GLU 84 -8.426 -3.895 6.840 687 HA GLU 84 HA GLU 84 -6.786 -1.577 6.060 688 HB2 GLU 84 2HB GLU 84 -8.967 -0.389 6.523 689 HB3 GLU 84 1HB GLU 84 -9.098 -1.657 5.303 690 HG2 GLU 84 2HG GLU 84 -9.495 -2.649 8.035 691 HG3 GLU 84 1HG GLU 84 -10.688 -1.442 7.558 692 H LEU 85 H LEU 85 -5.240 -1.672 7.830 693 HA LEU 85 HA LEU 85 -6.398 -1.269 10.555 694 HB2 LEU 85 2HB LEU 85 -4.198 -2.053 11.303 695 HB3 LEU 85 1HB LEU 85 -4.858 -3.184 10.123 696 HG LEU 85 HG LEU 85 -3.296 -1.011 8.912 697 HD11 LEU 85 1HD1 LEU 85 -1.646 -3.090 10.294 698 HD12 LEU 85 2HD1 LEU 85 -2.195 -1.703 11.235 699 HD13 LEU 85 3HD1 LEU 85 -1.204 -1.456 9.797 700 HD21 LEU 85 3HD2 LEU 85 -3.298 -2.622 7.333 701 HD22 LEU 85 1HD2 LEU 85 -4.016 -3.766 8.468 702 HD23 LEU 85 2HD2 LEU 85 -2.263 -3.602 8.371 703 H GLY 86 H GLY 86 -3.487 -0.267 11.121 704 HA2 GLY 86 2HA GLY 86 -2.643 1.885 11.564 705 HA3 GLY 86 1HA GLY 86 -2.833 2.079 9.822 706 H LEU 87 H LEU 87 -3.233 4.395 10.722 707 HA LEU 87 HA LEU 87 -5.983 5.039 10.402 708 HB2 LEU 87 2HB LEU 87 -6.632 5.523 12.675 709 HB3 LEU 87 1HB LEU 87 -5.961 3.893 12.675 710 HG LEU 87 HG LEU 87 -3.703 5.334 13.097 711 HD11 LEU 87 1HD1 LEU 87 -5.285 7.395 13.179 712 HD12 LEU 87 2HD1 LEU 87 -4.083 7.224 14.458 713 HD13 LEU 87 3HD1 LEU 87 -5.763 6.780 14.760 714 HD21 LEU 87 3HD2 LEU 87 -5.570 3.762 14.667 715 HD22 LEU 87 1HD2 LEU 87 -4.803 4.996 15.667 716 HD23 LEU 87 2HD2 LEU 87 -3.812 3.835 14.783 717 H ARG 88 H ARG 88 -5.863 7.094 9.585 718 HA ARG 88 HA ARG 88 -3.526 8.719 9.944 719 HB2 ARG 88 2HB ARG 88 -4.632 10.138 8.349 720 HB3 ARG 88 1HB ARG 88 -4.990 8.471 7.899 721 HG2 ARG 88 2HG ARG 88 -7.157 9.206 7.892 722 HG3 ARG 88 1HG ARG 88 -7.034 8.964 9.631 723 HD2 ARG 88 2HD ARG 88 -6.674 11.269 10.047 724 HD3 ARG 88 1HD ARG 88 -6.232 11.589 8.359 725 HE ARG 88 HE ARG 88 -8.967 10.560 8.884 726 HH11 ARG 88 1HH1 ARG 88 -7.780 11.915 6.353 727 HH12 ARG 88 2HH1 ARG 88 -8.593 13.443 6.417 728 HH21 ARG 88 1HH2 ARG 88 -9.625 13.055 9.705 729 HH22 ARG 88 2HH2 ARG 88 -9.637 14.087 8.315 730 H ARG 89 H ARG 89 -3.227 10.262 11.521 731 HA ARG 89 HA ARG 89 -5.627 11.473 12.789 732 HB2 ARG 89 2HB ARG 89 -3.555 9.715 13.974 733 HB3 ARG 89 1HB ARG 89 -3.998 11.126 14.934 734 HG2 ARG 89 2HG ARG 89 -6.088 9.297 13.749 735 HG3 ARG 89 1HG ARG 89 -5.367 8.981 15.328 736 HD2 ARG 89 2HD ARG 89 -5.991 11.596 15.653 737 HD3 ARG 89 1HD ARG 89 -7.274 11.120 14.523 738 HE ARG 89 HE ARG 89 -8.165 9.702 16.201 739 HH11 ARG 89 1HH1 ARG 89 -6.730 11.697 18.076 740 HH12 ARG 89 2HH1 ARG 89 -5.951 10.597 19.165 741 HH21 ARG 89 1HH2 ARG 89 -6.396 7.835 17.117 742 HH22 ARG 89 2HH2 ARG 89 -5.762 8.411 18.623 743 H LEU 90 H LEU 90 -3.486 12.304 10.916 744 HA LEU 90 HA LEU 90 -1.820 14.214 12.409 745 HB2 LEU 90 2HB LEU 90 -1.830 12.933 9.898 746 HB3 LEU 90 1HB LEU 90 -2.003 14.651 9.546 747 HG LEU 90 HG LEU 90 0.388 13.918 9.687 748 HD11 LEU 90 1HD1 LEU 90 0.686 15.626 11.856 749 HD12 LEU 90 2HD1 LEU 90 -0.891 16.071 11.204 750 HD13 LEU 90 3HD1 LEU 90 0.536 16.123 10.170 751 HD21 LEU 90 3HD2 LEU 90 0.394 13.798 12.611 752 HD22 LEU 90 1HD2 LEU 90 1.164 12.723 11.445 753 HD23 LEU 90 2HD2 LEU 90 -0.525 12.480 11.887 754 H ALA 91 H ALA 91 -4.423 14.802 13.070 755 HA ALA 91 HA ALA 91 -4.912 17.355 11.573 756 HB1 ALA 91 1HB ALA 91 -7.389 16.772 12.123 757 HB2 ALA 91 2HB ALA 91 -6.786 15.138 12.398 758 HB3 ALA 91 3HB ALA 91 -6.604 15.889 10.813 759 H TYR 92 H TYR 92 -6.191 18.933 12.927 760 HA TYR 92 HA TYR 92 -5.145 18.984 15.675 761 HB2 TYR 92 2HB TYR 92 -6.282 20.787 13.665 762 HB3 TYR 92 1HB TYR 92 -6.862 21.135 15.294 763 HD1 TYR 92 1HD TYR 92 -3.588 19.562 14.641 764 HD2 TYR 92 2HD TYR 92 -5.640 23.231 15.531 765 HE1 TYR 92 1HE TYR 92 -1.422 20.645 15.182 766 HE2 TYR 92 2HE TYR 92 -3.475 24.311 16.071 767 HH TYR 92 HH TYR 92 -0.868 23.721 15.226 768 HA PRO 93 HA PRO 93 -8.775 17.645 17.745 769 HB2 PRO 93 2HB PRO 93 -8.882 19.346 19.884 770 HB3 PRO 93 1HB PRO 93 -7.670 18.058 19.734 771 HG2 PRO 93 2HG PRO 93 -7.405 20.974 19.207 772 HG3 PRO 93 1HG PRO 93 -6.251 19.850 19.941 773 HD2 PRO 93 2HD PRO 93 -6.089 20.711 17.355 774 HD3 PRO 93 1HD PRO 93 -5.446 19.154 17.919 775 H ILE 94 H ILE 94 -11.030 18.164 18.020 776 HA ILE 94 HA ILE 94 -11.839 20.869 16.992 777 HB ILE 94 HB ILE 94 -13.043 18.113 16.574 778 HG12 ILE 94 2HG1 ILE 94 -11.861 20.100 14.607 779 HG13 ILE 94 1HG1 ILE 94 -11.003 18.693 15.238 780 HG21 ILE 94 1HG2 ILE 94 -13.997 20.636 15.241 781 HG22 ILE 94 2HG2 ILE 94 -14.618 20.188 16.830 782 HG23 ILE 94 3HG2 ILE 94 -14.847 19.105 15.457 783 HD11 ILE 94 3HD1 ILE 94 -12.401 18.600 12.945 784 HD12 ILE 94 1HD1 ILE 94 -13.701 18.213 14.072 785 HD13 ILE 94 2HD1 ILE 94 -12.256 17.204 14.013 786 H ALA 95 H ALA 95 -12.743 21.986 18.686 787 HA ALA 95 HA ALA 95 -14.220 20.457 20.790 788 HB1 ALA 95 1HB ALA 95 -13.083 23.272 20.698 789 HB2 ALA 95 2HB ALA 95 -12.317 21.878 21.461 790 HB3 ALA 95 3HB ALA 95 -13.825 22.521 22.111 791 H LYS 96 H LYS 96 -15.634 20.781 18.385 792 HA LYS 96 HA LYS 96 -17.838 22.549 19.290 793 HB2 LYS 96 2HB LYS 96 -15.906 23.158 17.209 794 HB3 LYS 96 1HB LYS 96 -17.538 23.089 16.543 795 HG2 LYS 96 2HG LYS 96 -17.962 25.116 17.414 796 HG3 LYS 96 1HG LYS 96 -17.707 24.456 19.031 797 HD2 LYS 96 2HD LYS 96 -15.253 24.827 18.747 798 HD3 LYS 96 1HD LYS 96 -15.583 25.601 17.197 799 HE2 LYS 96 2HE LYS 96 -15.665 27.508 18.480 800 HE3 LYS 96 1HE LYS 96 -17.316 26.957 18.826 801 HZ1 LYS 96 3HZ LYS 96 -14.869 26.573 20.431 802 HZ2 LYS 96 1HZ LYS 96 -16.175 25.502 20.586 803 HZ3 LYS 96 2HZ LYS 96 -16.387 27.153 20.927 Start of MODEL 20 1 H1 MET 1 1HT MET 1 -7.280 6.607 9.029 2 H2 MET 1 2HT MET 1 -6.425 7.381 7.782 3 H3 MET 1 3HT MET 1 -6.690 5.704 7.720 4 HA MET 1 HA MET 1 -8.397 6.256 6.373 5 HB2 MET 1 2HB MET 1 -9.503 7.058 9.084 6 HB3 MET 1 1HB MET 1 -10.423 6.413 7.724 7 HG2 MET 1 2HG MET 1 -9.801 4.274 8.164 8 HG3 MET 1 1HG MET 1 -8.139 4.737 8.532 9 HE1 MET 1 2HE MET 1 -10.911 2.877 10.443 10 HE2 MET 1 3HE MET 1 -9.477 2.644 11.441 11 HE3 MET 1 1HE MET 1 -9.350 2.587 9.677 12 H ASP 2 H ASP 2 -10.424 8.352 7.469 13 HA ASP 2 HA ASP 2 -9.461 10.556 5.844 14 HB2 ASP 2 2HB ASP 2 -11.797 9.855 5.925 15 HB3 ASP 2 1HB ASP 2 -11.857 10.189 7.656 16 HA PRO 3 HA PRO 3 -9.045 12.672 10.072 17 HB2 PRO 3 2HB PRO 3 -8.344 11.117 12.203 18 HB3 PRO 3 1HB PRO 3 -10.030 11.444 11.763 19 HG2 PRO 3 2HG PRO 3 -8.436 8.995 11.413 20 HG3 PRO 3 1HG PRO 3 -10.186 9.196 11.575 21 HD2 PRO 3 2HD PRO 3 -8.743 8.748 9.194 22 HD3 PRO 3 1HD PRO 3 -10.461 9.172 9.336 23 H GLN 4 H GLN 4 -7.062 10.349 8.640 24 HA GLN 4 HA GLN 4 -4.681 11.911 8.849 25 HB2 GLN 4 2HB GLN 4 -3.532 10.097 10.379 26 HB3 GLN 4 1HB GLN 4 -4.472 11.402 11.095 27 HG2 GLN 4 2HG GLN 4 -4.965 9.080 12.005 28 HG3 GLN 4 1HG GLN 4 -6.366 9.986 11.441 29 HE21 GLN 4 1HE2 GLN 4 -3.886 8.005 9.708 30 HE22 GLN 4 2HE2 GLN 4 -5.022 7.024 8.917 31 H GLY 5 H GLY 5 -2.688 10.124 8.554 32 HA2 GLY 5 2HA GLY 5 -3.140 8.995 5.954 33 HA3 GLY 5 1HA GLY 5 -1.691 8.765 6.930 34 H TYR 6 H TYR 6 -3.961 7.067 5.437 35 HA TYR 6 HA TYR 6 -4.738 5.111 7.472 36 HB2 TYR 6 2HB TYR 6 -5.763 5.948 5.139 37 HB3 TYR 6 1HB TYR 6 -4.820 4.592 4.529 38 HD1 TYR 6 1HD TYR 6 -5.048 2.806 6.996 39 HD2 TYR 6 2HD TYR 6 -7.960 5.084 4.817 40 HE1 TYR 6 1HE TYR 6 -6.821 1.245 7.741 41 HE2 TYR 6 2HE TYR 6 -9.736 3.526 5.562 42 HH TYR 6 HH TYR 6 -8.992 0.799 7.737 43 H PHE 7 H PHE 7 -3.568 3.285 8.004 44 HA PHE 7 HA PHE 7 -1.098 2.700 6.495 45 HB2 PHE 7 2HB PHE 7 -1.541 3.080 9.141 46 HB3 PHE 7 1HB PHE 7 -1.757 1.332 9.049 47 HD1 PHE 7 1HD PHE 7 0.119 0.581 6.909 48 HD2 PHE 7 2HD PHE 7 0.585 3.398 10.120 49 HE1 PHE 7 1HE PHE 7 2.578 0.274 6.821 50 HE2 PHE 7 2HE PHE 7 3.045 3.090 10.031 51 HZ PHE 7 HZ PHE 7 4.042 1.527 8.382 52 H LEU 8 H LEU 8 -1.999 1.435 4.763 53 HA LEU 8 HA LEU 8 -3.759 -0.810 5.405 54 HB2 LEU 8 2HB LEU 8 -2.650 0.456 2.906 55 HB3 LEU 8 1HB LEU 8 -3.597 -1.030 2.846 56 HG LEU 8 HG LEU 8 -5.088 0.859 2.504 57 HD11 LEU 8 1HD1 LEU 8 -5.567 -1.139 4.216 58 HD12 LEU 8 2HD1 LEU 8 -6.727 0.168 3.976 59 HD13 LEU 8 3HD1 LEU 8 -5.642 0.198 5.365 60 HD21 LEU 8 3HD2 LEU 8 -4.354 1.898 5.240 61 HD22 LEU 8 1HD2 LEU 8 -5.195 2.733 3.933 62 HD23 LEU 8 2HD2 LEU 8 -3.464 2.418 3.807 63 H TRP 9 H TRP 9 -3.220 -3.004 5.048 64 HA TRP 9 HA TRP 9 -0.322 -3.600 4.540 65 HB2 TRP 9 2HB TRP 9 -1.281 -3.751 6.955 66 HB3 TRP 9 1HB TRP 9 -2.132 -5.181 6.373 67 HD1 TRP 9 HD TRP 9 0.570 -5.664 4.339 68 HE1 TRP 9 1HE TRP 9 2.523 -6.960 5.413 69 HE3 TRP 9 3HE TRP 9 -0.611 -5.105 9.275 70 HZ2 TRP 9 2HZ TRP 9 3.460 -7.665 8.021 71 HZ3 TRP 9 3HZ TRP 9 0.827 -6.099 11.032 72 HH2 TRP 9 HH TRP 9 2.859 -7.377 10.411 73 H TYR 10 H TYR 10 -0.202 -4.802 2.657 74 HA TYR 10 HA TYR 10 -2.495 -6.642 2.047 75 HB2 TYR 10 2HB TYR 10 -0.836 -4.760 0.381 76 HB3 TYR 10 1HB TYR 10 -1.666 -6.121 -0.375 77 HD1 TYR 10 1HD TYR 10 -4.161 -6.341 -0.150 78 HD2 TYR 10 2HD TYR 10 -2.038 -2.830 1.121 79 HE1 TYR 10 1HE TYR 10 -6.287 -5.063 -0.127 80 HE2 TYR 10 2HE TYR 10 -4.163 -1.553 1.143 81 HH TYR 10 HH TYR 10 -6.377 -1.656 0.125 82 H GLN 11 H GLN 11 -1.961 -8.715 1.331 83 HA GLN 11 HA GLN 11 0.920 -9.420 1.251 84 HB2 GLN 11 2HB GLN 11 -0.556 -10.170 3.224 85 HB3 GLN 11 1HB GLN 11 -1.350 -11.232 2.059 86 HG2 GLN 11 2HG GLN 11 1.020 -12.060 1.470 87 HG3 GLN 11 1HG GLN 11 1.529 -11.275 2.965 88 HE21 GLN 11 1HE2 GLN 11 -1.163 -13.451 1.904 89 HE22 GLN 11 2HE2 GLN 11 -1.088 -14.447 3.277 90 H VAL 12 H VAL 12 1.400 -11.280 -0.225 91 HA VAL 12 HA VAL 12 -0.685 -11.682 -2.338 92 HB VAL 12 HB VAL 12 1.073 -11.332 -4.015 93 HG11 VAL 12 1HG1 VAL 12 -0.157 -9.362 -3.257 94 HG12 VAL 12 2HG1 VAL 12 1.522 -8.931 -3.587 95 HG13 VAL 12 3HG1 VAL 12 0.976 -9.146 -1.922 96 HG21 VAL 12 3HG2 VAL 12 2.913 -10.552 -1.748 97 HG22 VAL 12 1HG2 VAL 12 3.325 -10.837 -3.439 98 HG23 VAL 12 2HG2 VAL 12 2.884 -12.191 -2.399 99 H GLU 13 H GLU 13 0.366 -13.431 -3.949 100 HA GLU 13 HA GLU 13 1.825 -15.514 -2.380 101 HB2 GLU 13 2HB GLU 13 -0.642 -15.818 -2.123 102 HB3 GLU 13 1HB GLU 13 -0.776 -15.972 -3.875 103 HG2 GLU 13 2HG GLU 13 0.860 -17.887 -3.750 104 HG3 GLU 13 1HG GLU 13 0.752 -17.790 -1.993 105 H MET 14 H MET 14 3.078 -14.089 -4.319 106 HA MET 14 HA MET 14 3.059 -15.907 -6.699 107 HB2 MET 14 2HB MET 14 3.710 -13.900 -7.957 108 HB3 MET 14 1HB MET 14 2.208 -13.608 -7.089 109 HG2 MET 14 2HG MET 14 4.188 -12.910 -5.258 110 HG3 MET 14 1HG MET 14 4.797 -12.297 -6.796 111 HE1 MET 14 3HE MET 14 4.596 -9.724 -6.152 112 HE2 MET 14 1HE MET 14 3.253 -9.093 -7.116 113 HE3 MET 14 2HE MET 14 4.294 -10.353 -7.770 114 HA PRO 15 HA PRO 15 7.233 -16.805 -5.684 115 HB2 PRO 15 2HB PRO 15 8.206 -17.312 -8.189 116 HB3 PRO 15 1HB PRO 15 7.223 -18.440 -7.269 117 HG2 PRO 15 2HG PRO 15 6.436 -16.597 -9.462 118 HG3 PRO 15 1HG PRO 15 5.888 -18.250 -9.142 119 HD2 PRO 15 2HD PRO 15 4.393 -16.075 -8.532 120 HD3 PRO 15 1HD PRO 15 4.331 -17.579 -7.586 121 H GLU 16 H GLU 16 9.418 -16.494 -7.026 122 HA GLU 16 HA GLU 16 10.225 -13.774 -6.715 123 HB2 GLU 16 2HB GLU 16 11.457 -16.087 -6.692 124 HB3 GLU 16 1HB GLU 16 11.591 -15.822 -8.428 125 HG2 GLU 16 2HG GLU 16 12.305 -13.450 -6.861 126 HG3 GLU 16 1HG GLU 16 13.344 -14.835 -6.517 127 H ASP 17 H ASP 17 8.918 -15.634 -9.329 128 HA ASP 17 HA ASP 17 9.868 -14.053 -11.521 129 HB2 ASP 17 2HB ASP 17 9.041 -16.321 -11.760 130 HB3 ASP 17 1HB ASP 17 7.456 -15.843 -11.152 131 H ARG 18 H ARG 18 6.877 -13.847 -9.597 132 HA ARG 18 HA ARG 18 5.873 -11.587 -11.230 133 HB2 ARG 18 2HB ARG 18 4.549 -12.465 -8.708 134 HB3 ARG 18 1HB ARG 18 3.835 -12.097 -10.276 135 HG2 ARG 18 2HG ARG 18 5.056 -14.244 -11.088 136 HG3 ARG 18 1HG ARG 18 5.187 -14.631 -9.374 137 HD2 ARG 18 2HD ARG 18 2.937 -15.074 -9.180 138 HD3 ARG 18 1HD ARG 18 2.489 -13.781 -10.311 139 HE ARG 18 HE ARG 18 2.544 -15.406 -12.012 140 HH11 ARG 18 1HH2 ARG 18 2.874 -17.402 -9.587 141 HH12 ARG 18 2HH2 ARG 18 4.148 -18.392 -10.215 142 HH21 ARG 18 1HH1 ARG 18 4.959 -16.190 -12.768 143 HH22 ARG 18 2HH1 ARG 18 5.329 -17.707 -12.016 144 H VAL 19 H VAL 19 7.676 -12.082 -8.365 145 HA VAL 19 HA VAL 19 7.053 -10.008 -6.625 146 HB VAL 19 HB VAL 19 8.871 -11.758 -6.524 147 HG11 VAL 19 1HG1 VAL 19 10.938 -11.404 -7.617 148 HG12 VAL 19 2HG1 VAL 19 10.530 -9.736 -8.018 149 HG13 VAL 19 3HG1 VAL 19 9.712 -11.067 -8.837 150 HG21 VAL 19 3HG2 VAL 19 10.307 -10.438 -5.110 151 HG22 VAL 19 1HG2 VAL 19 8.684 -9.762 -4.958 152 HG23 VAL 19 2HG2 VAL 19 9.884 -8.958 -5.971 153 H ASN 20 H ASN 20 8.780 -9.775 -9.699 154 HA ASN 20 HA ASN 20 9.778 -7.155 -9.597 155 HB2 ASN 20 2HB ASN 20 9.554 -9.185 -11.428 156 HB3 ASN 20 1HB ASN 20 8.476 -7.975 -12.120 157 HD21 ASN 20 1HD2 ASN 20 9.531 -6.526 -13.475 158 HD22 ASN 20 2HD2 ASN 20 11.161 -6.071 -13.341 159 H ASP 21 H ASP 21 6.472 -8.277 -9.973 160 HA ASP 21 HA ASP 21 5.232 -5.961 -11.010 161 HB2 ASP 21 2HB ASP 21 4.345 -8.325 -10.519 162 HB3 ASP 21 1HB ASP 21 4.105 -7.765 -8.867 163 H LEU 22 H LEU 22 6.117 -6.844 -7.695 164 HA LEU 22 HA LEU 22 4.848 -4.728 -6.285 165 HB2 LEU 22 2HB LEU 22 7.322 -6.420 -5.916 166 HB3 LEU 22 1HB LEU 22 6.902 -5.186 -4.728 167 HG LEU 22 HG LEU 22 4.907 -6.269 -4.118 168 HD11 LEU 22 1HD1 LEU 22 3.799 -7.980 -5.452 169 HD12 LEU 22 2HD1 LEU 22 5.138 -7.999 -6.599 170 HD13 LEU 22 3HD1 LEU 22 4.105 -6.576 -6.474 171 HD21 LEU 22 3HD2 LEU 22 6.807 -7.561 -3.330 172 HD22 LEU 22 1HD2 LEU 22 6.920 -8.407 -4.872 173 HD23 LEU 22 2HD2 LEU 22 5.538 -8.685 -3.814 174 H ALA 23 H ALA 23 8.036 -4.884 -7.864 175 HA ALA 23 HA ALA 23 9.065 -2.383 -7.092 176 HB1 ALA 23 1HB ALA 23 10.227 -4.244 -8.307 177 HB2 ALA 23 2HB ALA 23 10.485 -2.672 -9.063 178 HB3 ALA 23 3HB ALA 23 9.327 -3.806 -9.759 179 H ARG 24 H ARG 24 7.155 -3.212 -10.006 180 HA ARG 24 HA ARG 24 6.908 -0.514 -10.928 181 HB2 ARG 24 2HB ARG 24 5.320 -3.051 -11.414 182 HB3 ARG 24 1HB ARG 24 5.113 -1.572 -12.352 183 HG2 ARG 24 2HG ARG 24 7.905 -2.131 -12.248 184 HG3 ARG 24 1HG ARG 24 7.082 -3.627 -12.693 185 HD2 ARG 24 2HD ARG 24 5.758 -1.688 -14.202 186 HD3 ARG 24 1HD ARG 24 7.463 -1.203 -14.280 187 HE ARG 24 HE ARG 24 7.851 -3.739 -14.794 188 HH11 ARG 24 1HH2 ARG 24 4.811 -4.154 -14.889 189 HH12 ARG 24 2HH2 ARG 24 4.536 -4.127 -16.599 190 HH21 ARG 24 1HH1 ARG 24 7.618 -2.725 -17.341 191 HH22 ARG 24 2HH1 ARG 24 6.125 -3.319 -17.986 192 H GLU 25 H GLU 25 4.818 -2.632 -8.968 193 HA GLU 25 HA GLU 25 2.560 -0.950 -8.776 194 HB2 GLU 25 2HB GLU 25 2.983 -3.393 -8.058 195 HB3 GLU 25 1HB GLU 25 3.616 -2.705 -6.561 196 HG2 GLU 25 2HG GLU 25 1.501 -2.559 -5.804 197 HG3 GLU 25 1HG GLU 25 1.189 -1.355 -7.057 198 H LEU 26 H LEU 26 5.383 -1.196 -6.563 199 HA LEU 26 HA LEU 26 4.530 0.854 -4.769 200 HB2 LEU 26 2HB LEU 26 6.636 0.540 -3.821 201 HB3 LEU 26 1HB LEU 26 6.476 -0.953 -4.739 202 HG LEU 26 HG LEU 26 7.618 0.372 -6.661 203 HD11 LEU 26 1HD1 LEU 26 8.407 2.443 -6.229 204 HD12 LEU 26 2HD1 LEU 26 9.138 1.912 -4.714 205 HD13 LEU 26 3HD1 LEU 26 7.446 2.406 -4.751 206 HD21 LEU 26 3HD2 LEU 26 9.861 -0.179 -5.717 207 HD22 LEU 26 1HD2 LEU 26 8.694 -1.483 -5.495 208 HD23 LEU 26 2HD2 LEU 26 9.103 -0.427 -4.143 209 H ARG 27 H ARG 27 6.350 0.957 -7.811 210 HA ARG 27 HA ARG 27 7.010 3.768 -7.688 211 HB2 ARG 27 2HB ARG 27 8.305 2.700 -9.252 212 HB3 ARG 27 1HB ARG 27 7.070 1.492 -9.583 213 HG2 ARG 27 2HG ARG 27 7.438 2.874 -11.572 214 HG3 ARG 27 1HG ARG 27 5.823 3.170 -10.931 215 HD2 ARG 27 2HD ARG 27 6.301 5.365 -10.656 216 HD3 ARG 27 1HD ARG 27 7.723 4.962 -9.673 217 HE ARG 27 HE ARG 27 7.793 4.917 -12.670 218 HH11 ARG 27 1HH2 ARG 27 8.637 6.984 -10.269 219 HH12 ARG 27 2HH2 ARG 27 10.344 6.972 -10.563 220 HH21 ARG 27 1HH1 ARG 27 10.211 4.298 -12.768 221 HH22 ARG 27 2HH1 ARG 27 11.236 5.450 -11.979 222 H ILE 28 H ILE 28 4.268 1.937 -9.051 223 HA ILE 28 HA ILE 28 2.973 4.027 -10.426 224 HB ILE 28 HB ILE 28 2.628 1.346 -9.881 225 HG12 ILE 28 2HG1 ILE 28 0.372 2.970 -11.026 226 HG13 ILE 28 1HG1 ILE 28 1.927 2.896 -11.859 227 HG21 ILE 28 1HG2 ILE 28 0.330 1.115 -8.986 228 HG22 ILE 28 2HG2 ILE 28 0.296 2.845 -8.649 229 HG23 ILE 28 3HG2 ILE 28 1.425 1.802 -7.787 230 HD11 ILE 28 3HD1 ILE 28 -0.043 0.702 -11.329 231 HD12 ILE 28 1HD1 ILE 28 1.672 0.301 -11.431 232 HD13 ILE 28 2HD1 ILE 28 0.861 1.061 -12.801 233 H ARG 29 H ARG 29 2.628 2.992 -7.022 234 HA ARG 29 HA ARG 29 0.674 5.071 -6.404 235 HB2 ARG 29 2HB ARG 29 0.978 4.162 -4.112 236 HB3 ARG 29 1HB ARG 29 0.745 2.874 -5.295 237 HG2 ARG 29 2HG ARG 29 3.079 2.352 -5.329 238 HG3 ARG 29 1HG ARG 29 3.488 3.823 -4.445 239 HD2 ARG 29 2HD ARG 29 3.557 2.158 -2.765 240 HD3 ARG 29 1HD ARG 29 1.922 2.826 -2.583 241 HE ARG 29 HE ARG 29 1.999 0.687 -4.544 242 HH11 ARG 29 1HH1 ARG 29 0.127 1.549 -2.106 243 HH12 ARG 29 2HH1 ARG 29 0.113 0.045 -1.246 244 HH21 ARG 29 1HH2 ARG 29 2.747 -1.312 -3.046 245 HH22 ARG 29 2HH2 ARG 29 1.596 -1.575 -1.778 246 H ASP 30 H ASP 30 2.756 6.452 -7.520 247 HA ASP 30 HA ASP 30 4.846 7.303 -5.764 248 HB2 ASP 30 2HB ASP 30 3.543 8.118 -8.287 249 HB3 ASP 30 1HB ASP 30 4.322 9.438 -7.414 250 H ASN 31 H ASN 31 1.466 8.228 -6.031 251 HA ASN 31 HA ASN 31 1.488 10.729 -4.681 252 HB2 ASN 31 2HB ASN 31 -0.887 10.072 -4.176 253 HB3 ASN 31 1HB ASN 31 -0.443 9.799 -5.859 254 HD21 ASN 31 1HD2 ASN 31 -2.563 8.320 -4.777 255 HD22 ASN 31 2HD2 ASN 31 -2.086 6.704 -4.616 256 H VAL 32 H VAL 32 2.099 7.535 -3.518 257 HA VAL 32 HA VAL 32 1.384 8.045 -0.733 258 HB VAL 32 HB VAL 32 1.420 5.853 -2.111 259 HG11 VAL 32 1HG1 VAL 32 4.238 5.569 -1.152 260 HG12 VAL 32 2HG1 VAL 32 3.966 6.452 -2.655 261 HG13 VAL 32 3HG1 VAL 32 3.429 4.778 -2.505 262 HG21 VAL 32 3HG2 VAL 32 2.830 5.048 0.246 263 HG22 VAL 32 1HG2 VAL 32 1.095 5.007 -0.063 264 HG23 VAL 32 2HG2 VAL 32 1.830 6.446 0.637 265 H ARG 33 H ARG 33 2.949 8.195 1.011 266 HA ARG 33 HA ARG 33 5.296 9.799 0.343 267 HB2 ARG 33 2HB ARG 33 4.005 8.698 2.838 268 HB3 ARG 33 1HB ARG 33 5.537 9.568 2.914 269 HG2 ARG 33 2HG ARG 33 4.474 11.486 1.737 270 HG3 ARG 33 1HG ARG 33 2.936 10.625 1.771 271 HD2 ARG 33 2HD ARG 33 2.613 11.687 3.767 272 HD3 ARG 33 1HD ARG 33 3.756 10.495 4.417 273 HE ARG 33 HE ARG 33 5.051 12.787 3.135 274 HH11 ARG 33 1HH1 ARG 33 3.119 12.416 5.868 275 HH12 ARG 33 2HH1 ARG 33 4.305 12.986 6.994 276 HH21 ARG 33 1HH2 ARG 33 6.855 13.117 4.650 277 HH22 ARG 33 2HH2 ARG 33 6.419 13.384 6.304 278 H ARG 34 H ARG 34 4.802 6.539 1.780 279 HA ARG 34 HA ARG 34 7.468 5.745 0.741 280 HB2 ARG 34 2HB ARG 34 6.669 6.032 3.634 281 HB3 ARG 34 1HB ARG 34 7.932 4.895 3.160 282 HG2 ARG 34 2HG ARG 34 9.051 6.827 1.940 283 HG3 ARG 34 1HG ARG 34 7.897 7.893 2.744 284 HD2 ARG 34 2HD ARG 34 8.935 7.688 4.779 285 HD3 ARG 34 1HD ARG 34 9.315 5.974 4.519 286 HE ARG 34 HE ARG 34 10.830 8.218 3.237 287 HH11 ARG 34 1HH1 ARG 34 10.481 4.916 3.058 288 HH12 ARG 34 2HH1 ARG 34 12.139 4.531 3.380 289 HH21 ARG 34 1HH2 ARG 34 12.999 7.777 4.248 290 HH22 ARG 34 2HH2 ARG 34 13.565 6.151 4.054 291 H VAL 35 H VAL 35 7.450 3.598 0.154 292 HA VAL 35 HA VAL 35 5.331 1.817 1.300 293 HB VAL 35 HB VAL 35 4.648 2.712 -0.905 294 HG11 VAL 35 1HG1 VAL 35 7.100 3.037 -1.616 295 HG12 VAL 35 2HG1 VAL 35 5.987 2.458 -2.855 296 HG13 VAL 35 3HG1 VAL 35 7.079 1.329 -2.053 297 HG21 VAL 35 3HG2 VAL 35 5.453 -0.192 -0.711 298 HG22 VAL 35 1HG2 VAL 35 4.619 0.427 -2.137 299 HG23 VAL 35 2HG2 VAL 35 3.845 0.514 -0.555 300 H MET 36 H MET 36 6.175 -0.167 1.903 301 HA MET 36 HA MET 36 8.745 -1.023 0.732 302 HB2 MET 36 2HB MET 36 8.487 0.230 3.178 303 HB3 MET 36 1HB MET 36 8.492 -1.479 3.614 304 HG2 MET 36 2HG MET 36 10.721 -1.525 3.333 305 HG3 MET 36 1HG MET 36 10.496 -1.118 1.632 306 HE1 MET 36 3HE MET 36 13.310 0.230 2.834 307 HE2 MET 36 1HE MET 36 12.450 -0.718 4.055 308 HE3 MET 36 2HE MET 36 12.900 0.952 4.389 309 H VAL 37 H VAL 37 8.418 -3.070 -0.026 310 HA VAL 37 HA VAL 37 6.486 -4.826 1.449 311 HB VAL 37 HB VAL 37 7.393 -4.807 -1.450 312 HG11 VAL 37 1HG1 VAL 37 4.942 -6.224 -0.913 313 HG12 VAL 37 2HG1 VAL 37 6.225 -6.856 0.119 314 HG13 VAL 37 3HG1 VAL 37 6.433 -6.835 -1.633 315 HG21 VAL 37 3HG2 VAL 37 5.063 -3.640 0.036 316 HG22 VAL 37 1HG2 VAL 37 4.802 -4.240 -1.602 317 HG23 VAL 37 2HG2 VAL 37 5.982 -2.962 -1.308 318 H VAL 38 H VAL 38 7.356 -6.662 2.363 319 HA VAL 38 HA VAL 38 10.174 -7.375 1.640 320 HB VAL 38 HB VAL 38 10.089 -8.410 3.963 321 HG11 VAL 38 1HG1 VAL 38 10.526 -5.805 3.156 322 HG12 VAL 38 2HG1 VAL 38 10.880 -6.439 4.763 323 HG13 VAL 38 3HG1 VAL 38 9.354 -5.608 4.458 324 HG21 VAL 38 3HG2 VAL 38 7.477 -8.423 3.812 325 HG22 VAL 38 1HG2 VAL 38 7.608 -6.749 4.353 326 HG23 VAL 38 2HG2 VAL 38 8.236 -8.053 5.360 327 H ALA 39 H ALA 39 10.661 -9.537 1.159 328 HA ALA 39 HA ALA 39 8.427 -11.225 0.265 329 HB1 ALA 39 1HB ALA 39 11.446 -11.487 0.249 330 HB2 ALA 39 2HB ALA 39 10.420 -10.993 -1.098 331 HB3 ALA 39 3HB ALA 39 10.357 -12.653 -0.503 332 H SER 40 H SER 40 8.074 -13.408 1.034 333 HA SER 40 HA SER 40 8.402 -13.737 3.907 334 HB2 SER 40 2HB SER 40 7.508 -16.117 3.049 335 HB3 SER 40 1HB SER 40 6.457 -14.705 3.110 336 HG SER 40 HG SER 40 7.144 -16.139 1.003 337 H THR 41 H THR 41 9.127 -16.257 4.427 338 HA THR 41 HA THR 41 11.946 -16.412 3.443 339 HB THR 41 HB THR 41 11.346 -16.135 5.898 340 HG1 THR 41 1HG THR 41 12.571 -18.623 5.589 341 HG21 THR 41 3HG2 THR 41 9.465 -18.053 5.355 342 HG22 THR 41 1HG2 THR 41 10.023 -17.635 6.975 343 HG23 THR 41 2HG2 THR 41 10.733 -19.007 6.125 344 H THR 42 H THR 42 8.894 -18.019 3.323 345 HA THR 42 HA THR 42 10.221 -20.425 2.137 346 HB THR 42 HB THR 42 7.986 -20.079 4.105 347 HG1 THR 42 1HG THR 42 9.598 -22.300 4.086 348 HG21 THR 42 3HG2 THR 42 7.177 -22.355 3.634 349 HG22 THR 42 1HG2 THR 42 8.296 -22.483 2.277 350 HG23 THR 42 2HG2 THR 42 6.966 -21.327 2.218 351 HA PRO 43 HA PRO 43 6.258 -19.986 -0.414 352 HB2 PRO 43 2HB PRO 43 4.347 -18.164 0.311 353 HB3 PRO 43 1HB PRO 43 4.381 -19.833 0.919 354 HG2 PRO 43 2HG PRO 43 5.281 -17.321 2.233 355 HG3 PRO 43 1HG PRO 43 4.454 -18.724 2.926 356 HD2 PRO 43 2HD PRO 43 7.122 -18.270 3.200 357 HD3 PRO 43 1HD PRO 43 6.395 -19.889 3.221 358 H GLY 44 H GLY 44 5.015 -17.899 -1.646 359 HA2 GLY 44 2HA GLY 44 7.224 -16.018 -2.173 360 HA3 GLY 44 1HA GLY 44 6.047 -16.507 -3.381 361 H ARG 45 H ARG 45 5.189 -15.695 -0.065 362 HA ARG 45 HA ARG 45 3.457 -13.530 -1.122 363 HB2 ARG 45 2HB ARG 45 2.457 -13.637 1.125 364 HB3 ARG 45 1HB ARG 45 2.529 -15.224 0.386 365 HG2 ARG 45 2HG ARG 45 4.930 -15.190 1.656 366 HG3 ARG 45 1HG ARG 45 3.987 -14.166 2.736 367 HD2 ARG 45 2HD ARG 45 3.000 -16.875 1.791 368 HD3 ARG 45 1HD ARG 45 3.905 -16.646 3.301 369 HE ARG 45 HE ARG 45 1.493 -14.968 2.808 370 HH11 ARG 45 1HH1 ARG 45 0.659 -17.679 3.645 371 HH12 ARG 45 2HH1 ARG 45 0.676 -17.570 5.373 372 HH21 ARG 45 1HH2 ARG 45 2.611 -14.696 5.441 373 HH22 ARG 45 2HH2 ARG 45 1.780 -15.883 6.390 374 H TYR 46 H TYR 46 3.392 -11.486 0.006 375 HA TYR 46 HA TYR 46 5.974 -10.734 1.319 376 HB2 TYR 46 2HB TYR 46 4.425 -9.308 -0.837 377 HB3 TYR 46 1HB TYR 46 5.801 -8.632 -0.002 378 HD1 TYR 46 2HD TYR 46 4.831 -11.725 -1.889 379 HD2 TYR 46 1HD TYR 46 7.934 -8.933 -0.877 380 HE1 TYR 46 2HE TYR 46 6.380 -12.882 -3.441 381 HE2 TYR 46 1HE TYR 46 9.480 -10.090 -2.426 382 HH TYR 46 HH TYR 46 9.007 -13.108 -3.585 383 H GLU 47 H GLU 47 5.814 -8.963 2.736 384 HA GLU 47 HA GLU 47 3.079 -8.489 3.843 385 HB2 GLU 47 2HB GLU 47 5.885 -8.177 4.963 386 HB3 GLU 47 1HB GLU 47 4.415 -7.800 5.860 387 HG2 GLU 47 2HG GLU 47 3.737 -10.260 5.133 388 HG3 GLU 47 1HG GLU 47 5.484 -10.463 5.007 389 H VAL 48 H VAL 48 2.444 -6.774 2.407 390 HA VAL 48 HA VAL 48 4.189 -4.490 1.905 391 HB VAL 48 HB VAL 48 1.236 -4.991 1.436 392 HG11 VAL 48 1HG1 VAL 48 1.434 -3.188 -0.230 393 HG12 VAL 48 2HG1 VAL 48 3.123 -2.949 0.218 394 HG13 VAL 48 3HG1 VAL 48 1.843 -2.591 1.378 395 HG21 VAL 48 3HG2 VAL 48 3.459 -6.261 0.332 396 HG22 VAL 48 1HG2 VAL 48 3.056 -5.020 -0.854 397 HG23 VAL 48 2HG2 VAL 48 1.844 -6.209 -0.374 398 H ASN 49 H ASN 49 4.455 -2.810 3.278 399 HA ASN 49 HA ASN 49 2.208 -2.010 5.067 400 HB2 ASN 49 2HB ASN 49 5.182 -2.134 5.697 401 HB3 ASN 49 1HB ASN 49 3.918 -1.604 6.807 402 HD21 ASN 49 1HD2 ASN 49 5.830 -4.204 6.303 403 HD22 ASN 49 2HD2 ASN 49 4.784 -5.456 6.775 404 H ILE 50 H ILE 50 1.661 -0.222 3.842 405 HA ILE 50 HA ILE 50 3.773 1.871 3.497 406 HB ILE 50 HB ILE 50 3.400 0.654 1.404 407 HG12 ILE 50 2HG1 ILE 50 2.568 3.498 1.765 408 HG13 ILE 50 1HG1 ILE 50 3.885 2.833 0.805 409 HG21 ILE 50 1HG2 ILE 50 1.145 0.647 0.382 410 HG22 ILE 50 2HG2 ILE 50 0.500 1.473 1.801 411 HG23 ILE 50 3HG2 ILE 50 1.132 -0.168 1.946 412 HD11 ILE 50 3HD1 ILE 50 2.445 3.512 -0.874 413 HD12 ILE 50 1HD1 ILE 50 1.006 3.180 0.089 414 HD13 ILE 50 2HD1 ILE 50 1.903 1.850 -0.644 415 H VAL 51 H VAL 51 3.043 4.001 3.683 416 HA VAL 51 HA VAL 51 0.179 4.383 4.494 417 HB VAL 51 HB VAL 51 1.951 4.427 6.328 418 HG11 VAL 51 1HG1 VAL 51 3.341 6.489 6.418 419 HG12 VAL 51 2HG1 VAL 51 2.754 6.931 4.815 420 HG13 VAL 51 3HG1 VAL 51 3.738 5.483 5.024 421 HG21 VAL 51 3HG2 VAL 51 0.998 7.175 6.427 422 HG22 VAL 51 1HG2 VAL 51 0.527 5.798 7.422 423 HG23 VAL 51 2HG2 VAL 51 -0.274 6.082 5.877 424 H LEU 52 H LEU 52 -0.753 6.392 3.757 425 HA LEU 52 HA LEU 52 0.788 7.685 1.535 426 HB2 LEU 52 2HB LEU 52 -2.139 7.463 2.239 427 HB3 LEU 52 1HB LEU 52 -1.546 8.414 0.883 428 HG LEU 52 HG LEU 52 -0.310 6.184 0.241 429 HD11 LEU 52 1HD1 LEU 52 -0.845 4.353 1.438 430 HD12 LEU 52 2HD1 LEU 52 -2.564 4.639 1.164 431 HD13 LEU 52 3HD1 LEU 52 -1.756 5.385 2.542 432 HD21 LEU 52 3HD2 LEU 52 -2.232 7.394 -0.942 433 HD22 LEU 52 1HD2 LEU 52 -3.316 6.293 -0.091 434 HD23 LEU 52 2HD2 LEU 52 -2.122 5.657 -1.222 435 H ASN 53 H ASN 53 -0.802 10.004 1.423 436 HA ASN 53 HA ASN 53 0.503 11.932 2.860 437 HB2 ASN 53 2HB ASN 53 -2.378 11.623 2.024 438 HB3 ASN 53 1HB ASN 53 -1.823 13.108 2.798 439 HD21 ASN 53 1HD2 ASN 53 0.519 11.394 0.849 440 HD22 ASN 53 2HD2 ASN 53 0.477 12.449 -0.480 441 HA PRO 54 HA PRO 54 -0.328 11.623 7.134 442 HB2 PRO 54 2HB PRO 54 -0.895 14.222 7.825 443 HB3 PRO 54 1HB PRO 54 0.742 13.642 7.453 444 HG2 PRO 54 2HG PRO 54 -1.200 15.072 5.687 445 HG3 PRO 54 1HG PRO 54 0.541 15.341 5.893 446 HD2 PRO 54 2HD PRO 54 -0.420 13.982 3.792 447 HD3 PRO 54 1HD PRO 54 1.115 13.523 4.571 448 H ASN 55 H ASN 55 -2.774 12.795 4.999 449 HA ASN 55 HA ASN 55 -4.866 12.007 6.986 450 HB2 ASN 55 2HB ASN 55 -4.402 14.513 6.824 451 HB3 ASN 55 1HB ASN 55 -4.993 14.422 5.164 452 HD21 ASN 55 1HD2 ASN 55 -6.977 15.582 5.470 453 HD22 ASN 55 2HD2 ASN 55 -8.223 15.023 6.478 454 H LEU 56 H LEU 56 -4.695 10.010 5.463 455 HA LEU 56 HA LEU 56 -5.347 10.157 2.698 456 HB2 LEU 56 2HB LEU 56 -5.413 8.146 4.904 457 HB3 LEU 56 1HB LEU 56 -6.275 7.743 3.417 458 HG LEU 56 HG LEU 56 -3.349 8.440 3.714 459 HD11 LEU 56 1HD1 LEU 56 -3.337 6.187 3.978 460 HD12 LEU 56 2HD1 LEU 56 -3.602 6.146 2.235 461 HD13 LEU 56 3HD1 LEU 56 -4.971 6.018 3.339 462 HD21 LEU 56 3HD2 LEU 56 -3.649 9.426 1.664 463 HD22 LEU 56 1HD2 LEU 56 -5.184 8.606 1.385 464 HD23 LEU 56 2HD2 LEU 56 -3.666 7.757 1.093 465 H ASP 57 H ASP 57 -7.464 8.762 2.052 466 HA ASP 57 HA ASP 57 -9.912 9.210 3.465 467 HB2 ASP 57 2HB ASP 57 -8.774 11.432 2.027 468 HB3 ASP 57 1HB ASP 57 -10.293 10.965 1.280 469 H GLN 58 H GLN 58 -11.763 9.247 1.579 470 HA GLN 58 HA GLN 58 -11.551 6.741 0.238 471 HB2 GLN 58 2HB GLN 58 -13.449 9.015 -0.371 472 HB3 GLN 58 1HB GLN 58 -13.755 7.286 -0.544 473 HG2 GLN 58 2HG GLN 58 -13.167 7.262 2.042 474 HG3 GLN 58 1HG GLN 58 -13.661 8.953 1.939 475 HE21 GLN 58 1HE2 GLN 58 -15.769 8.899 0.143 476 HE22 GLN 58 2HE2 GLN 58 -17.018 7.908 0.726 477 H SER 59 H SER 59 -11.222 10.087 -0.931 478 HA SER 59 HA SER 59 -11.041 9.471 -3.705 479 HB2 SER 59 2HB SER 59 -10.133 11.741 -1.936 480 HB3 SER 59 1HB SER 59 -9.899 11.782 -3.681 481 HG SER 59 HG SER 59 -12.230 11.922 -2.163 482 H GLN 60 H GLN 60 -8.616 9.687 -1.136 483 HA GLN 60 HA GLN 60 -6.306 9.495 -2.855 484 HB2 GLN 60 2HB GLN 60 -6.889 8.985 0.071 485 HB3 GLN 60 1HB GLN 60 -5.266 8.869 -0.600 486 HG2 GLN 60 2HG GLN 60 -7.004 11.324 -0.915 487 HG3 GLN 60 1HG GLN 60 -5.848 11.127 0.403 488 HE21 GLN 60 1HE2 GLN 60 -3.513 10.887 -0.232 489 HE22 GLN 60 2HE2 GLN 60 -2.982 11.540 -1.706 490 H LEU 61 H LEU 61 -8.127 7.067 -0.953 491 HA LEU 61 HA LEU 61 -6.463 4.837 -1.663 492 HB2 LEU 61 2HB LEU 61 -9.399 5.011 -0.926 493 HB3 LEU 61 1HB LEU 61 -8.442 3.529 -0.941 494 HG LEU 61 HG LEU 61 -7.934 5.973 0.787 495 HD11 LEU 61 1HD1 LEU 61 -9.383 4.949 2.179 496 HD12 LEU 61 2HD1 LEU 61 -8.188 3.662 2.349 497 HD13 LEU 61 3HD1 LEU 61 -9.467 3.526 1.141 498 HD21 LEU 61 3HD2 LEU 61 -5.780 5.180 0.485 499 HD22 LEU 61 1HD2 LEU 61 -6.321 3.534 0.149 500 HD23 LEU 61 2HD2 LEU 61 -6.293 4.132 1.808 501 H ALA 62 H ALA 62 -9.213 6.398 -3.241 502 HA ALA 62 HA ALA 62 -9.936 4.460 -5.123 503 HB1 ALA 62 1HB ALA 62 -10.844 6.837 -4.627 504 HB2 ALA 62 2HB ALA 62 -10.860 6.316 -6.312 505 HB3 ALA 62 3HB ALA 62 -9.596 7.404 -5.736 506 H LEU 63 H LEU 63 -7.195 6.682 -5.044 507 HA LEU 63 HA LEU 63 -6.210 6.050 -7.664 508 HB2 LEU 63 2HB LEU 63 -5.140 7.301 -5.132 509 HB3 LEU 63 1HB LEU 63 -4.115 7.092 -6.546 510 HG LEU 63 HG LEU 63 -6.787 8.501 -6.645 511 HD11 LEU 63 1HD1 LEU 63 -4.060 9.465 -5.893 512 HD12 LEU 63 2HD1 LEU 63 -5.640 10.020 -5.337 513 HD13 LEU 63 3HD1 LEU 63 -5.041 10.511 -6.921 514 HD21 LEU 63 3HD2 LEU 63 -4.404 8.601 -8.519 515 HD22 LEU 63 1HD2 LEU 63 -6.004 9.289 -8.798 516 HD23 LEU 63 2HD2 LEU 63 -5.790 7.538 -8.760 517 H GLU 64 H GLU 64 -5.268 5.042 -4.367 518 HA GLU 64 HA GLU 64 -3.303 3.148 -5.268 519 HB2 GLU 64 2HB GLU 64 -4.786 3.826 -2.764 520 HB3 GLU 64 1HB GLU 64 -3.957 2.271 -2.818 521 HG2 GLU 64 2HG GLU 64 -2.014 3.842 -3.835 522 HG3 GLU 64 1HG GLU 64 -2.830 5.019 -2.807 523 H LYS 65 H LYS 65 -6.771 2.865 -4.478 524 HA LYS 65 HA LYS 65 -6.800 -0.015 -4.757 525 HB2 LYS 65 2HB LYS 65 -8.598 2.187 -4.174 526 HB3 LYS 65 1HB LYS 65 -9.370 1.037 -5.267 527 HG2 LYS 65 2HG LYS 65 -9.875 0.109 -3.186 528 HG3 LYS 65 1HG LYS 65 -8.398 -0.757 -3.608 529 HD2 LYS 65 2HD LYS 65 -7.544 -0.023 -1.653 530 HD3 LYS 65 1HD LYS 65 -7.487 1.581 -2.385 531 HE2 LYS 65 2HE LYS 65 -8.725 1.780 -0.307 532 HE3 LYS 65 1HE LYS 65 -9.908 1.882 -1.625 533 HZ1 LYS 65 3HZ LYS 65 -9.283 -0.415 0.118 534 HZ2 LYS 65 1HZ LYS 65 -9.963 -0.660 -1.416 535 HZ3 LYS 65 2HZ LYS 65 -10.799 0.255 -0.255 536 H GLU 66 H GLU 66 -7.605 2.657 -7.018 537 HA GLU 66 HA GLU 66 -8.357 0.817 -9.116 538 HB2 GLU 66 2HB GLU 66 -7.803 3.761 -8.860 539 HB3 GLU 66 1HB GLU 66 -8.038 3.044 -10.451 540 HG2 GLU 66 2HG GLU 66 -9.990 2.783 -8.146 541 HG3 GLU 66 1HG GLU 66 -10.165 3.916 -9.487 542 H ILE 67 H ILE 67 -5.441 2.658 -8.271 543 HA ILE 67 HA ILE 67 -3.988 1.807 -10.635 544 HB ILE 67 HB ILE 67 -3.114 3.084 -8.027 545 HG12 ILE 67 2HG1 ILE 67 -4.832 4.455 -9.033 546 HG13 ILE 67 1HG1 ILE 67 -3.296 5.194 -9.465 547 HG21 ILE 67 1HG2 ILE 67 -1.303 2.105 -9.474 548 HG22 ILE 67 2HG2 ILE 67 -1.192 3.854 -9.282 549 HG23 ILE 67 3HG2 ILE 67 -1.838 3.172 -10.773 550 HD11 ILE 67 3HD1 ILE 67 -4.202 5.120 -11.562 551 HD12 ILE 67 1HD1 ILE 67 -5.286 3.791 -11.147 552 HD13 ILE 67 2HD1 ILE 67 -3.593 3.464 -11.524 553 H ILE 68 H ILE 68 -3.978 0.769 -7.171 554 HA ILE 68 HA ILE 68 -1.769 -1.073 -7.579 555 HB ILE 68 HB ILE 68 -3.964 -0.969 -5.483 556 HG12 ILE 68 2HG1 ILE 68 -1.113 0.052 -5.335 557 HG13 ILE 68 1HG1 ILE 68 -2.475 1.082 -5.781 558 HG21 ILE 68 1HG2 ILE 68 -3.049 -2.835 -4.633 559 HG22 ILE 68 2HG2 ILE 68 -1.490 -2.018 -4.524 560 HG23 ILE 68 3HG2 ILE 68 -1.921 -2.904 -5.987 561 HD11 ILE 68 3HD1 ILE 68 -1.836 -0.178 -3.142 562 HD12 ILE 68 1HD1 ILE 68 -3.530 0.067 -3.567 563 HD13 ILE 68 2HD1 ILE 68 -2.431 1.444 -3.494 564 H GLN 69 H GLN 69 -5.312 -1.443 -7.564 565 HA GLN 69 HA GLN 69 -5.348 -4.286 -7.858 566 HB2 GLN 69 2HB GLN 69 -7.665 -3.953 -8.259 567 HB3 GLN 69 1HB GLN 69 -7.198 -2.599 -7.232 568 HG2 GLN 69 2HG GLN 69 -8.412 -1.533 -8.924 569 HG3 GLN 69 1HG GLN 69 -6.755 -1.367 -9.499 570 HE21 GLN 69 1HE2 GLN 69 -8.319 -1.203 -11.597 571 HE22 GLN 69 2HE2 GLN 69 -8.514 -2.665 -12.435 572 H ARG 70 H ARG 70 -5.113 -1.673 -10.269 573 HA ARG 70 HA ARG 70 -5.568 -3.325 -12.557 574 HB2 ARG 70 2HB ARG 70 -4.944 -0.606 -11.878 575 HB3 ARG 70 1HB ARG 70 -3.888 -1.127 -13.192 576 HG2 ARG 70 2HG ARG 70 -6.246 -2.170 -14.038 577 HG3 ARG 70 1HG ARG 70 -6.829 -0.749 -13.168 578 HD2 ARG 70 2HD ARG 70 -4.795 -0.788 -15.426 579 HD3 ARG 70 1HD ARG 70 -6.409 -0.051 -15.448 580 HE ARG 70 HE ARG 70 -5.134 1.078 -13.236 581 HH11 ARG 70 1HH2 ARG 70 -2.732 0.690 -15.117 582 HH12 ARG 70 2HH2 ARG 70 -2.680 2.237 -15.893 583 HH21 ARG 70 1HH1 ARG 70 -5.870 3.145 -14.881 584 HH22 ARG 70 2HH1 ARG 70 -4.457 3.627 -15.759 585 H ALA 71 H ALA 71 -2.578 -2.292 -10.896 586 HA ALA 71 HA ALA 71 -0.785 -3.482 -12.778 587 HB1 ALA 71 1HB ALA 71 -0.734 -1.916 -10.426 588 HB2 ALA 71 2HB ALA 71 0.630 -2.307 -11.474 589 HB3 ALA 71 3HB ALA 71 0.256 -3.337 -10.092 590 H LEU 72 H LEU 72 -1.956 -4.603 -9.587 591 HA LEU 72 HA LEU 72 -0.572 -7.069 -9.534 592 HB2 LEU 72 2HB LEU 72 -3.158 -6.048 -8.351 593 HB3 LEU 72 1HB LEU 72 -2.534 -7.650 -7.966 594 HG LEU 72 HG LEU 72 -0.884 -5.137 -7.655 595 HD11 LEU 72 1HD1 LEU 72 -2.488 -4.698 -6.049 596 HD12 LEU 72 2HD1 LEU 72 -1.435 -5.767 -5.122 597 HD13 LEU 72 3HD1 LEU 72 -2.908 -6.400 -5.855 598 HD21 LEU 72 3HD2 LEU 72 0.447 -6.613 -6.168 599 HD22 LEU 72 1HD2 LEU 72 0.361 -7.257 -7.808 600 HD23 LEU 72 2HD2 LEU 72 -0.645 -7.949 -6.535 601 H GLU 73 H GLU 73 -3.718 -6.218 -10.922 602 HA GLU 73 HA GLU 73 -4.488 -8.894 -11.610 603 HB2 GLU 73 2HB GLU 73 -5.535 -6.246 -11.659 604 HB3 GLU 73 1HB GLU 73 -5.704 -6.900 -13.279 605 HG2 GLU 73 2HG GLU 73 -6.495 -8.531 -10.873 606 HG3 GLU 73 1HG GLU 73 -7.608 -7.351 -11.563 607 H ASN 74 H ASN 74 -3.107 -6.170 -13.431 608 HA ASN 74 HA ASN 74 -2.941 -7.456 -15.950 609 HB2 ASN 74 2HB ASN 74 -2.532 -4.983 -15.068 610 HB3 ASN 74 1HB ASN 74 -0.859 -5.529 -14.976 611 HD21 ASN 74 1HD2 ASN 74 -1.636 -3.515 -16.849 612 HD22 ASN 74 2HD2 ASN 74 -1.498 -4.154 -18.416 613 H TYR 75 H TYR 75 -0.731 -7.321 -13.161 614 HA TYR 75 HA TYR 75 1.347 -8.893 -14.466 615 HB2 TYR 75 2HB TYR 75 1.061 -7.201 -12.313 616 HB3 TYR 75 1HB TYR 75 1.231 -8.773 -11.544 617 HD1 TYR 75 1HD TYR 75 3.237 -10.231 -12.135 618 HD2 TYR 75 2HD TYR 75 2.867 -6.142 -13.388 619 HE1 TYR 75 1HE TYR 75 5.665 -10.167 -12.641 620 HE2 TYR 75 2HE TYR 75 5.298 -6.074 -13.889 621 HH TYR 75 HH TYR 75 7.088 -7.817 -14.500 622 H GLY 76 H GLY 76 -1.181 -9.569 -12.039 623 HA2 GLY 76 2HA GLY 76 -2.343 -11.761 -12.222 624 HA3 GLY 76 1HA GLY 76 -0.761 -12.448 -12.555 625 H ALA 77 H ALA 77 -1.352 -9.986 -10.116 626 HA ALA 77 HA ALA 77 -0.567 -11.987 -8.019 627 HB1 ALA 77 1HB ALA 77 1.095 -10.317 -8.150 628 HB2 ALA 77 2HB ALA 77 0.063 -9.735 -6.844 629 HB3 ALA 77 3HB ALA 77 -0.083 -9.043 -8.460 630 H ARG 78 H ARG 78 -2.155 -12.436 -6.513 631 HA ARG 78 HA ARG 78 -4.408 -10.460 -6.270 632 HB2 ARG 78 2HB ARG 78 -4.285 -13.272 -6.929 633 HB3 ARG 78 1HB ARG 78 -5.238 -13.043 -5.462 634 HG2 ARG 78 2HG ARG 78 -6.479 -11.196 -6.694 635 HG3 ARG 78 1HG ARG 78 -5.673 -11.748 -8.163 636 HD2 ARG 78 2HD ARG 78 -7.651 -12.999 -8.249 637 HD3 ARG 78 1HD ARG 78 -6.597 -14.121 -7.365 638 HE ARG 78 HE ARG 78 -7.893 -12.240 -5.575 639 HH11 ARG 78 1HH1 ARG 78 -9.587 -14.066 -7.679 640 HH12 ARG 78 2HH1 ARG 78 -10.239 -15.185 -6.530 641 HH21 ARG 78 1HH2 ARG 78 -8.171 -14.147 -3.948 642 HH22 ARG 78 2HH2 ARG 78 -9.438 -15.231 -4.418 643 H VAL 79 H VAL 79 -4.702 -9.657 -4.212 644 HA VAL 79 HA VAL 79 -2.997 -10.546 -2.039 645 HB VAL 79 HB VAL 79 -5.436 -8.802 -1.760 646 HG11 VAL 79 1HG1 VAL 79 -2.886 -7.902 -0.666 647 HG12 VAL 79 2HG1 VAL 79 -3.316 -9.516 -0.098 648 HG13 VAL 79 3HG1 VAL 79 -4.424 -8.169 0.155 649 HG21 VAL 79 3HG2 VAL 79 -4.600 -7.782 -3.688 650 HG22 VAL 79 1HG2 VAL 79 -2.939 -8.264 -3.345 651 HG23 VAL 79 2HG2 VAL 79 -3.677 -6.940 -2.443 652 H GLU 80 H GLU 80 -3.453 -12.324 -0.834 653 HA GLU 80 HA GLU 80 -6.115 -13.551 -0.895 654 HB2 GLU 80 2HB GLU 80 -4.964 -15.382 0.027 655 HB3 GLU 80 1HB GLU 80 -3.676 -14.556 -0.855 656 HG2 GLU 80 2HG GLU 80 -2.672 -14.891 1.221 657 HG3 GLU 80 1HG GLU 80 -3.336 -13.268 1.411 658 H LYS 81 H LYS 81 -4.667 -11.103 0.937 659 HA LYS 81 HA LYS 81 -6.584 -11.545 3.193 660 HB2 LYS 81 2HB LYS 81 -4.769 -10.903 4.645 661 HB3 LYS 81 1HB LYS 81 -4.156 -12.129 3.537 662 HG2 LYS 81 2HG LYS 81 -2.486 -10.530 3.360 663 HG3 LYS 81 1HG LYS 81 -3.554 -10.044 2.039 664 HD2 LYS 81 2HD LYS 81 -3.834 -8.035 3.012 665 HD3 LYS 81 1HD LYS 81 -4.513 -8.823 4.438 666 HE2 LYS 81 2HE LYS 81 -1.535 -8.464 3.942 667 HE3 LYS 81 1HE LYS 81 -2.512 -7.436 5.009 668 HZ1 LYS 81 3HZ LYS 81 -3.065 -9.261 6.363 669 HZ2 LYS 81 1HZ LYS 81 -1.395 -9.401 6.104 670 HZ3 LYS 81 2HZ LYS 81 -2.474 -10.390 5.240 671 H VAL 82 H VAL 82 -7.482 -9.613 4.078 672 HA VAL 82 HA VAL 82 -6.645 -7.018 2.862 673 HB VAL 82 HB VAL 82 -9.525 -7.928 3.104 674 HG11 VAL 82 1HG1 VAL 82 -10.070 -5.968 1.998 675 HG12 VAL 82 2HG1 VAL 82 -8.510 -5.871 1.182 676 HG13 VAL 82 3HG1 VAL 82 -8.643 -5.426 2.884 677 HG21 VAL 82 3HG2 VAL 82 -7.490 -8.358 0.947 678 HG22 VAL 82 1HG2 VAL 82 -9.154 -8.013 0.472 679 HG23 VAL 82 2HG2 VAL 82 -8.797 -9.416 1.479 680 H GLU 83 H GLU 83 -5.948 -6.069 4.785 681 HA GLU 83 HA GLU 83 -7.948 -5.943 7.016 682 HB2 GLU 83 2HB GLU 83 -5.755 -7.441 7.147 683 HB3 GLU 83 1HB GLU 83 -4.997 -5.893 7.528 684 HG2 GLU 83 2HG GLU 83 -6.551 -5.541 9.377 685 HG3 GLU 83 1HG GLU 83 -7.414 -7.024 8.967 686 H GLU 84 H GLU 84 -8.573 -3.800 7.153 687 HA GLU 84 HA GLU 84 -6.654 -1.695 6.388 688 HB2 GLU 84 2HB GLU 84 -9.574 -1.453 7.134 689 HB3 GLU 84 1HB GLU 84 -8.614 -0.329 6.170 690 HG2 GLU 84 2HG GLU 84 -8.265 -2.499 4.656 691 HG3 GLU 84 1HG GLU 84 -9.800 -2.958 5.392 692 H LEU 85 H LEU 85 -5.322 -1.760 8.321 693 HA LEU 85 HA LEU 85 -6.674 -0.632 10.735 694 HB2 LEU 85 2HB LEU 85 -5.281 -2.119 12.060 695 HB3 LEU 85 1HB LEU 85 -6.133 -3.083 10.863 696 HG LEU 85 HG LEU 85 -3.747 -2.220 9.622 697 HD11 LEU 85 1HD1 LEU 85 -2.214 -2.028 11.263 698 HD12 LEU 85 2HD1 LEU 85 -2.527 -3.705 11.710 699 HD13 LEU 85 3HD1 LEU 85 -3.433 -2.404 12.481 700 HD21 LEU 85 3HD2 LEU 85 -5.002 -4.747 10.562 701 HD22 LEU 85 1HD2 LEU 85 -3.271 -4.819 10.230 702 HD23 LEU 85 2HD2 LEU 85 -4.392 -4.322 8.962 703 H GLY 86 H GLY 86 -4.400 -0.222 12.263 704 HA2 GLY 86 2HA GLY 86 -2.618 1.274 12.554 705 HA3 GLY 86 1HA GLY 86 -2.154 0.882 10.898 706 H LEU 87 H LEU 87 -1.889 3.492 11.892 707 HA LEU 87 HA LEU 87 -3.239 5.017 9.896 708 HB2 LEU 87 2HB LEU 87 -4.898 6.135 11.265 709 HB3 LEU 87 1HB LEU 87 -5.113 4.399 11.486 710 HG LEU 87 HG LEU 87 -3.349 4.817 13.450 711 HD11 LEU 87 1HD1 LEU 87 -2.969 6.999 13.852 712 HD12 LEU 87 2HD1 LEU 87 -4.677 7.187 14.247 713 HD13 LEU 87 3HD1 LEU 87 -4.118 7.463 12.597 714 HD21 LEU 87 3HD2 LEU 87 -5.127 4.202 14.696 715 HD22 LEU 87 1HD2 LEU 87 -6.111 4.392 13.246 716 HD23 LEU 87 2HD2 LEU 87 -5.949 5.732 14.382 717 H ARG 88 H ARG 88 -2.143 6.974 9.688 718 HA ARG 88 HA ARG 88 0.075 7.501 11.480 719 HB2 ARG 88 2HB ARG 88 -0.996 8.439 8.878 720 HB3 ARG 88 1HB ARG 88 -0.009 9.599 9.768 721 HG2 ARG 88 2HG ARG 88 0.848 6.750 9.196 722 HG3 ARG 88 1HG ARG 88 1.312 8.133 8.204 723 HD2 ARG 88 2HD ARG 88 1.885 7.885 11.181 724 HD3 ARG 88 1HD ARG 88 3.068 7.600 9.888 725 HE ARG 88 HE ARG 88 1.906 10.222 10.613 726 HH11 ARG 88 1HH2 ARG 88 4.853 9.368 10.085 727 HH12 ARG 88 2HH2 ARG 88 5.147 10.213 8.602 728 HH21 ARG 88 1HH1 ARG 88 1.797 10.852 7.988 729 HH22 ARG 88 2HH1 ARG 88 3.418 11.052 7.415 730 H ARG 89 H ARG 89 0.362 9.878 12.243 731 HA ARG 89 HA ARG 89 -2.228 10.812 13.412 732 HB2 ARG 89 2HB ARG 89 -0.780 11.655 15.225 733 HB3 ARG 89 1HB ARG 89 -0.535 9.927 14.967 734 HG2 ARG 89 2HG ARG 89 1.237 11.281 13.209 735 HG3 ARG 89 1HG ARG 89 1.398 12.046 14.790 736 HD2 ARG 89 2HD ARG 89 1.295 9.348 15.429 737 HD3 ARG 89 1HD ARG 89 2.253 9.377 13.934 738 HE ARG 89 HE ARG 89 3.778 10.973 15.011 739 HH11 ARG 89 1HH1 ARG 89 1.114 10.918 17.007 740 HH12 ARG 89 2HH1 ARG 89 1.988 10.701 18.487 741 HH21 ARG 89 1HH2 ARG 89 5.022 10.104 16.915 742 HH22 ARG 89 2HH2 ARG 89 4.201 10.240 18.435 743 H LEU 90 H LEU 90 -2.861 12.424 11.978 744 HA LEU 90 HA LEU 90 -0.972 14.294 10.771 745 HB2 LEU 90 2HB LEU 90 -2.900 13.793 9.514 746 HB3 LEU 90 1HB LEU 90 -3.955 13.908 10.921 747 HG LEU 90 HG LEU 90 -2.523 16.405 10.375 748 HD11 LEU 90 1HD1 LEU 90 -3.163 15.134 8.070 749 HD12 LEU 90 2HD1 LEU 90 -3.220 16.888 8.250 750 HD13 LEU 90 3HD1 LEU 90 -4.697 15.936 8.410 751 HD21 LEU 90 3HD2 LEU 90 -4.357 16.374 11.921 752 HD22 LEU 90 1HD2 LEU 90 -5.403 15.551 10.763 753 HD23 LEU 90 2HD2 LEU 90 -4.935 17.230 10.491 754 H ALA 91 H ALA 91 -0.458 16.354 11.523 755 HA ALA 91 HA ALA 91 -1.716 17.190 14.117 756 HB1 ALA 91 1HB ALA 91 0.758 16.524 13.964 757 HB2 ALA 91 2HB ALA 91 0.425 18.102 14.678 758 HB3 ALA 91 3HB ALA 91 0.987 17.989 13.010 759 H TYR 92 H TYR 92 -0.576 18.293 10.939 760 HA TYR 92 HA TYR 92 -1.438 21.061 11.401 761 HB2 TYR 92 2HB TYR 92 0.246 19.588 9.652 762 HB3 TYR 92 1HB TYR 92 -0.978 20.359 8.645 763 HD1 TYR 92 1HD TYR 92 0.563 21.477 11.867 764 HD2 TYR 92 2HD TYR 92 0.050 22.232 7.669 765 HE1 TYR 92 1HE TYR 92 1.726 23.651 12.115 766 HE2 TYR 92 2HE TYR 92 1.214 24.407 7.917 767 HH TYR 92 HH TYR 92 3.136 25.202 10.237 768 HA PRO 93 HA PRO 93 -5.590 20.424 10.058 769 HB2 PRO 93 2HB PRO 93 -6.200 23.016 9.426 770 HB3 PRO 93 1HB PRO 93 -6.076 22.434 11.097 771 HG2 PRO 93 2HG PRO 93 -4.112 23.976 9.481 772 HG3 PRO 93 1HG PRO 93 -4.511 24.108 11.201 773 HD2 PRO 93 2HD PRO 93 -2.288 22.834 10.253 774 HD3 PRO 93 1HD PRO 93 -3.075 22.433 11.796 775 H ILE 94 H ILE 94 -4.929 23.180 7.998 776 HA ILE 94 HA ILE 94 -5.207 21.400 5.608 777 HB ILE 94 HB ILE 94 -5.898 24.263 6.271 778 HG12 ILE 94 2HG1 ILE 94 -7.474 21.992 5.015 779 HG13 ILE 94 1HG1 ILE 94 -7.516 22.413 6.727 780 HG21 ILE 94 1HG2 ILE 94 -6.679 24.157 3.726 781 HG22 ILE 94 2HG2 ILE 94 -5.320 23.042 3.601 782 HG23 ILE 94 3HG2 ILE 94 -5.057 24.695 4.157 783 HD11 ILE 94 3HD1 ILE 94 -8.455 24.070 4.382 784 HD12 ILE 94 1HD1 ILE 94 -8.175 24.773 5.974 785 HD13 ILE 94 2HD1 ILE 94 -9.395 23.516 5.768 786 H ALA 95 H ALA 95 -3.276 21.025 4.598 787 HA ALA 95 HA ALA 95 -0.957 22.770 5.021 788 HB1 ALA 95 1HB ALA 95 0.202 20.964 4.139 789 HB2 ALA 95 2HB ALA 95 -1.066 20.595 2.970 790 HB3 ALA 95 3HB ALA 95 -1.267 20.140 4.662 791 H LYS 96 H LYS 96 0.065 24.018 3.374 792 HA LYS 96 HA LYS 96 -1.620 24.542 0.944 793 HB2 LYS 96 2HB LYS 96 -0.894 26.870 1.178 794 HB3 LYS 96 1HB LYS 96 -1.588 26.321 2.704 795 HG2 LYS 96 2HG LYS 96 1.035 25.603 3.022 796 HG3 LYS 96 1HG LYS 96 1.192 27.080 2.072 797 HD2 LYS 96 2HD LYS 96 -0.396 26.804 4.640 798 HD3 LYS 96 1HD LYS 96 1.179 27.583 4.489 799 HE2 LYS 96 2HE LYS 96 0.238 29.260 2.958 800 HE3 LYS 96 1HE LYS 96 -1.344 28.459 3.034 801 HZ1 LYS 96 3HZ LYS 96 -1.164 30.286 4.645 802 HZ2 LYS 96 1HZ LYS 96 0.151 29.507 5.380 803 HZ3 LYS 96 2HZ LYS 96 -1.387 28.786 5.411
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