NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
515558 | 1lud | 5396 | cing | 1-original | 10 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H THR 1 1H THR 1 -5.269 9.606 4.838 2 2H THR 1 2H THR 1 -6.856 9.485 4.243 3 3H THR 1 3H THR 1 -5.940 10.886 3.949 4 HA THR 1 HA THR 1 -5.830 8.276 2.648 5 HB THR 1 HB THR 1 -4.899 10.765 1.349 6 HG1 THR 1 HG1 THR 1 -7.592 10.379 2.151 7 1HG2 THR 1 1HG2 THR 1 -7.075 9.539 0.025 8 2HG2 THR 1 2HG2 THR 1 -6.105 8.225 0.693 9 3HG2 THR 1 3HG2 THR 1 -5.364 9.408 -0.383 10 H ALA 2 HN ALA 2 -4.017 7.111 2.965 11 HA ALA 2 HA ALA 2 -1.409 8.559 2.841 12 1HB ALA 2 1HB ALA 2 -0.530 7.041 4.566 13 2HB ALA 2 2HB ALA 2 -2.104 6.256 4.688 14 3HB ALA 2 3HB ALA 2 -1.917 7.937 5.185 15 H PHE 3 HN PHE 3 0.352 7.235 2.032 16 HA PHE 3 HA PHE 3 -0.610 4.999 0.298 17 1HB PHE 3 2HB PHE 3 1.617 7.003 0.071 18 2HB PHE 3 1HB PHE 3 1.778 5.441 -0.730 19 HD1 PHE 3 HD1 PHE 3 -1.197 7.658 -0.181 20 HD2 PHE 3 HD2 PHE 3 1.400 5.737 -2.991 21 HE1 PHE 3 HE1 PHE 3 -2.632 8.438 -2.044 22 HE2 PHE 3 HE2 PHE 3 -0.030 6.511 -4.855 23 HZ PHE 3 HZ PHE 3 -2.046 7.861 -4.380 24 H LEU 4 HN LEU 4 0.163 2.930 0.749 25 HA LEU 4 HA LEU 4 2.529 2.743 2.562 26 1HB LEU 4 2HB LEU 4 0.567 2.396 3.950 27 2HB LEU 4 1HB LEU 4 -0.105 1.256 2.787 28 HG LEU 4 HG LEU 4 1.812 -0.263 3.180 29 1HD1 LEU 4 1HD1 LEU 4 3.518 1.347 3.799 30 2HD1 LEU 4 2HD1 LEU 4 3.285 0.242 5.154 31 3HD1 LEU 4 3HD1 LEU 4 2.582 1.859 5.204 32 1HD2 LEU 4 1HD2 LEU 4 0.056 -0.910 4.543 33 2HD2 LEU 4 2HD2 LEU 4 0.001 0.639 5.384 34 3HD2 LEU 4 3HD2 LEU 4 1.261 -0.532 5.774 35 H TRP 5 HN TRP 5 3.926 2.028 0.903 36 HA TRP 5 HA TRP 5 3.269 -0.672 -0.169 37 1HB TRP 5 2HB TRP 5 3.942 -0.112 -2.382 38 2HB TRP 5 1HB TRP 5 2.816 1.143 -1.878 39 HD1 TRP 5 HD1 TRP 5 6.308 0.598 -3.068 40 HE1 TRP 5 HE1 TRP 5 7.556 2.851 -3.182 41 HE3 TRP 5 HE3 TRP 5 3.021 3.562 -0.512 42 HZ2 TRP 5 HZ2 TRP 5 7.207 5.544 -2.305 43 HZ3 TRP 5 HZ3 TRP 5 3.515 5.967 -0.164 44 HH2 TRP 5 HH2 TRP 5 5.599 6.961 -1.057 45 H ALA 6 HN ALA 6 5.377 -1.518 -1.331 46 HA ALA 6 HA ALA 6 7.770 -0.757 0.283 47 1HB ALA 6 1HB ALA 6 7.521 -3.622 -0.407 48 2HB ALA 6 2HB ALA 6 6.354 -3.046 0.783 49 3HB ALA 6 3HB ALA 6 8.082 -2.870 1.086 50 H GLN 7 HN GLN 7 9.644 -0.666 -0.942 51 HA GLN 7 HA GLN 7 9.615 -1.911 -3.633 52 1HB GLN 7 2HB GLN 7 10.493 0.260 -4.598 53 2HB GLN 7 1HB GLN 7 8.798 0.298 -4.115 54 1HG GLN 7 2HG GLN 7 9.194 1.686 -2.321 55 2HG GLN 7 1HG GLN 7 10.821 1.058 -2.058 56 1HE2 GLN 7 1HE2 GLN 7 12.575 1.983 -3.323 57 2HE2 GLN 7 2HE2 GLN 7 12.370 3.409 -4.221 58 H ASP 8 HN ASP 8 11.742 -2.134 -4.558 59 HA ASP 8 HA ASP 8 13.805 -2.473 -2.509 60 1HB ASP 8 2HB ASP 8 15.137 -3.446 -4.360 61 2HB ASP 8 1HB ASP 8 13.536 -4.172 -4.252 62 H ARG 9 HN ARG 9 16.131 -1.888 -3.884 63 HA ARG 9 HA ARG 9 16.463 0.879 -3.353 64 1HB ARG 9 2HB ARG 9 18.627 0.657 -4.604 65 2HB ARG 9 1HB ARG 9 18.390 -0.569 -3.362 66 1HG ARG 9 2HG ARG 9 18.715 -2.150 -4.927 67 2HG ARG 9 1HG ARG 9 17.231 -1.623 -5.714 68 1HD ARG 9 2HD ARG 9 18.441 -0.888 -7.462 69 2HD ARG 9 1HD ARG 9 19.255 0.260 -6.402 70 HE ARG 9 HE ARG 9 20.323 -2.325 -7.302 71 1HH1 ARG 9 1HH1 ARG 9 20.499 0.288 -5.014 72 2HH1 ARG 9 2HH1 ARG 9 22.139 -0.050 -4.585 73 1HH2 ARG 9 1HH2 ARG 9 22.448 -2.751 -6.726 74 2HH2 ARG 9 2HH2 ARG 9 23.237 -1.759 -5.545 75 H ASP 10 HN ASP 10 15.857 -0.759 -6.482 76 HA ASP 10 HA ASP 10 16.061 1.685 -8.017 77 1HB ASP 10 2HB ASP 10 14.940 -1.060 -8.574 78 2HB ASP 10 1HB ASP 10 14.795 0.247 -9.749 79 H GLY 11 HN GLY 11 13.429 0.020 -6.395 80 1HA GLY 11 2HA GLY 11 11.536 1.435 -5.607 81 2HA GLY 11 1HA GLY 11 11.658 2.325 -7.122 82 H LEU 12 HN LEU 12 11.749 -1.189 -6.707 83 HA LEU 12 HA LEU 12 9.586 -1.481 -8.693 84 1HB LEU 12 2HB LEU 12 11.608 -2.938 -8.741 85 2HB LEU 12 1HB LEU 12 11.179 -3.552 -7.147 86 HG LEU 12 HG LEU 12 9.034 -4.401 -8.072 87 1HD1 LEU 12 1HD1 LEU 12 8.383 -3.287 -9.947 88 2HD1 LEU 12 2HD1 LEU 12 9.360 -4.496 -10.779 89 3HD1 LEU 12 3HD1 LEU 12 10.038 -2.907 -10.419 90 1HD2 LEU 12 1HD2 LEU 12 10.472 -6.174 -8.121 91 2HD2 LEU 12 2HD2 LEU 12 11.729 -5.262 -8.953 92 3HD2 LEU 12 3HD2 LEU 12 10.381 -5.944 -9.866 93 H ILE 13 HN ILE 13 7.719 -3.020 -8.107 94 HA ILE 13 HA ILE 13 7.155 -2.951 -5.187 95 HB ILE 13 HB ILE 13 4.674 -2.617 -5.895 96 1HG1 ILE 13 2HG1 ILE 13 5.681 -0.925 -8.101 97 2HG1 ILE 13 1HG1 ILE 13 5.675 -2.653 -8.432 98 1HG2 ILE 13 1HG2 ILE 13 5.504 -0.893 -4.608 99 2HG2 ILE 13 2HG2 ILE 13 5.271 -0.033 -6.128 100 3HG2 ILE 13 3HG2 ILE 13 6.874 -0.613 -5.679 101 1HD1 ILE 13 1HD1 ILE 13 3.405 -0.800 -8.068 102 2HD1 ILE 13 2HD1 ILE 13 3.239 -2.336 -7.219 103 3HD1 ILE 13 3HD1 ILE 13 3.483 -2.316 -8.966 104 H GLY 14 HN GLY 14 5.523 -4.235 -8.147 105 1HA GLY 14 2HA GLY 14 5.994 -6.969 -7.124 106 2HA GLY 14 1HA GLY 14 4.313 -6.455 -7.241 107 H LYS 15 HN LYS 15 5.987 -8.504 -8.797 108 HA LYS 15 HA LYS 15 5.371 -7.417 -11.516 109 1HB LYS 15 2HB LYS 15 7.813 -7.784 -11.071 110 2HB LYS 15 1HB LYS 15 7.464 -9.492 -10.803 111 1HG LYS 15 2HG LYS 15 6.208 -8.978 -13.221 112 2HG LYS 15 1HG LYS 15 7.677 -8.008 -13.324 113 1HD LYS 15 2HD LYS 15 8.680 -10.317 -12.283 114 2HD LYS 15 1HD LYS 15 7.359 -10.951 -13.265 115 1HE LYS 15 2HE LYS 15 8.289 -10.203 -15.250 116 2HE LYS 15 1HE LYS 15 9.145 -8.874 -14.469 117 1HZ LYS 15 1HE LYS 15 10.798 -10.406 -14.988 118 2HZ LYS 15 2HE LYS 15 9.856 -11.741 -14.523 119 3HZ LYS 15 3HE LYS 15 10.493 -10.696 -13.345 120 H ASP 16 HN ASP 16 3.876 -8.560 -12.649 121 HA ASP 16 HA ASP 16 2.292 -10.196 -13.125 122 1HB ASP 16 2HB ASP 16 4.703 -11.862 -12.377 123 2HB ASP 16 1HB ASP 16 3.235 -12.542 -13.081 124 H GLY 17 HN GLY 17 1.556 -9.208 -10.717 125 1HA GLY 17 2HA GLY 17 0.104 -9.858 -9.007 126 2HA GLY 17 1HA GLY 17 0.369 -11.533 -9.466 127 H HIS 18 HN HIS 18 2.300 -12.598 -8.608 128 HA HIS 18 HA HIS 18 2.644 -12.101 -5.821 129 1HB HIS 18 2HB HIS 18 4.421 -13.849 -5.971 130 2HB HIS 18 1HB HIS 18 2.903 -14.332 -6.728 131 HD1 HIS 18 HD1 HIS 18 6.346 -13.020 -7.634 132 HD2 HIS 18 HD2 HIS 18 3.087 -14.862 -9.468 133 HE1 HIS 18 HE1 HIS 18 7.083 -13.602 -9.986 134 H LEU 19 HN LEU 19 4.161 -11.027 -4.668 135 HA LEU 19 HA LEU 19 5.730 -8.950 -5.766 136 1HB LEU 19 2HB LEU 19 5.636 -10.400 -3.168 137 2HB LEU 19 1HB LEU 19 7.124 -9.519 -3.510 138 HG LEU 19 HG LEU 19 4.627 -8.043 -4.107 139 1HD1 LEU 19 1HD1 LEU 19 3.843 -7.790 -1.952 140 2HD1 LEU 19 2HD1 LEU 19 5.420 -8.111 -1.229 141 3HD1 LEU 19 3HD1 LEU 19 4.437 -9.446 -1.835 142 1HD2 LEU 19 1HD2 LEU 19 5.920 -6.218 -3.092 143 2HD2 LEU 19 2HD2 LEU 19 6.914 -7.078 -4.266 144 3HD2 LEU 19 3HD2 LEU 19 7.139 -7.367 -2.542 145 HA PRO 20 HA PRO 20 9.345 -11.048 -7.297 146 1HB PRO 20 2HB PRO 20 11.134 -8.909 -6.905 147 2HB PRO 20 1HB PRO 20 10.119 -9.182 -8.330 148 1HG PRO 20 2HG PRO 20 9.904 -7.073 -6.459 149 2HG PRO 20 1HG PRO 20 8.787 -7.452 -7.777 150 1HD PRO 20 2HD PRO 20 8.546 -8.031 -4.884 151 2HD PRO 20 1HD PRO 20 7.279 -7.863 -6.116 152 H TRP 21 HN TRP 21 9.655 -9.394 -4.171 153 HA TRP 21 HA TRP 21 11.834 -11.311 -3.455 154 1HB TRP 21 2HB TRP 21 12.452 -9.593 -1.728 155 2HB TRP 21 1HB TRP 21 12.603 -9.003 -3.384 156 HD1 TRP 21 HD1 TRP 21 10.138 -8.883 -0.422 157 HE1 TRP 21 HE1 TRP 21 8.725 -6.736 -0.629 158 HE3 TRP 21 HE3 TRP 21 11.872 -7.120 -4.891 159 HZ2 TRP 21 HZ2 TRP 21 8.384 -4.554 -2.447 160 HZ3 TRP 21 HZ3 TRP 21 10.987 -5.005 -5.835 161 HH2 TRP 21 HH2 TRP 21 9.247 -3.724 -4.619 162 H HIS 22 HN HIS 22 11.535 -12.577 -1.648 163 HA HIS 22 HA HIS 22 8.855 -12.499 -0.392 164 1HB HIS 22 2HB HIS 22 9.978 -14.651 -1.199 165 2HB HIS 22 1HB HIS 22 11.087 -14.469 0.160 166 HD1 HIS 22 HD1 HIS 22 10.342 -15.774 2.136 167 HD2 HIS 22 HD2 HIS 22 7.093 -14.365 -0.064 168 HE1 HIS 22 HE1 HIS 22 8.262 -16.579 3.336 169 H LEU 23 HN LEU 23 8.919 -10.765 1.070 170 HA LEU 23 HA LEU 23 11.041 -10.919 3.174 171 1HB LEU 23 2HB LEU 23 10.961 -8.843 1.632 172 2HB LEU 23 1HB LEU 23 9.490 -8.417 2.505 173 HG LEU 23 HG LEU 23 10.827 -8.674 4.655 174 1HD1 LEU 23 1HD1 LEU 23 12.660 -9.934 3.205 175 2HD1 LEU 23 2HD1 LEU 23 13.119 -8.979 4.612 176 3HD1 LEU 23 3HD1 LEU 23 13.284 -8.300 2.993 177 1HD2 LEU 23 1HD2 LEU 23 12.348 -6.531 3.547 178 2HD2 LEU 23 2HD2 LEU 23 10.865 -6.424 4.493 179 3HD2 LEU 23 3HD2 LEU 23 10.783 -6.531 2.735 180 HA PRO 24 HA PRO 24 7.285 -12.015 5.505 181 1HB PRO 24 2HB PRO 24 8.982 -12.755 7.686 182 2HB PRO 24 1HB PRO 24 8.092 -13.822 6.592 183 1HG PRO 24 2HG PRO 24 10.898 -13.416 6.720 184 2HG PRO 24 1HG PRO 24 9.997 -14.414 5.572 185 1HD PRO 24 2HD PRO 24 11.290 -11.865 5.122 186 2HD PRO 24 1HD PRO 24 10.534 -12.948 3.944 187 H ASP 25 HN ASP 25 10.136 -10.251 6.676 188 HA ASP 25 HA ASP 25 8.842 -9.027 8.929 189 1HB ASP 25 2HB ASP 25 11.410 -9.151 8.076 190 2HB ASP 25 1HB ASP 25 10.995 -7.520 7.546 191 H ASP 26 HN ASP 26 8.821 -8.327 5.508 192 HA ASP 26 HA ASP 26 7.919 -5.574 5.794 193 1HB ASP 26 2HB ASP 26 9.045 -6.238 3.749 194 2HB ASP 26 1HB ASP 26 7.854 -7.499 3.451 195 H LEU 27 HN LEU 27 6.315 -8.712 5.165 196 HA LEU 27 HA LEU 27 3.686 -7.782 4.774 197 1HB LEU 27 2HB LEU 27 4.595 -10.269 6.258 198 2HB LEU 27 1HB LEU 27 2.961 -9.988 5.656 199 HG LEU 27 HG LEU 27 5.332 -9.814 3.804 200 1HD1 LEU 27 1HD1 LEU 27 3.789 -12.294 4.623 201 2HD1 LEU 27 2HD1 LEU 27 5.517 -12.010 4.823 202 3HD1 LEU 27 3HD1 LEU 27 4.838 -12.205 3.208 203 1HD2 LEU 27 1HD2 LEU 27 3.147 -8.956 3.038 204 2HD2 LEU 27 2HD2 LEU 27 2.399 -10.505 3.428 205 3HD2 LEU 27 3HD2 LEU 27 3.597 -10.404 2.138 206 H HIS 28 HN HIS 28 5.292 -8.628 7.860 207 HA HIS 28 HA HIS 28 3.140 -7.964 9.585 208 1HB HIS 28 2HB HIS 28 6.130 -7.695 10.033 209 2HB HIS 28 1HB HIS 28 4.917 -7.589 11.308 210 HD1 HIS 28 HD1 HIS 28 3.058 -9.855 10.737 211 HD2 HIS 28 HD2 HIS 28 7.180 -10.240 10.251 212 HE1 HIS 28 HE1 HIS 28 3.564 -12.334 10.851 213 H TYR 29 HN TYR 29 5.638 -5.943 8.099 214 HA TYR 29 HA TYR 29 4.991 -3.514 9.486 215 1HB TYR 29 2HB TYR 29 7.073 -3.908 8.119 216 2HB TYR 29 1HB TYR 29 6.079 -3.781 6.667 217 HD1 TYR 29 HD1 TYR 29 7.122 -1.944 9.741 218 HD2 TYR 29 HD2 TYR 29 5.451 -1.668 5.794 219 HE1 TYR 29 HE1 TYR 29 7.279 0.529 9.848 220 HE2 TYR 29 HE2 TYR 29 5.608 0.804 5.900 221 HH TYR 29 HH TYR 29 5.780 2.569 7.486 222 H PHE 30 HN PHE 30 3.745 -5.039 6.554 223 HA PHE 30 HA PHE 30 2.091 -2.833 5.717 224 1HB PHE 30 2HB PHE 30 2.730 -4.735 4.234 225 2HB PHE 30 1HB PHE 30 1.703 -5.798 5.196 226 HD1 PHE 30 HD1 PHE 30 1.405 -2.380 3.653 227 HD2 PHE 30 HD2 PHE 30 -0.375 -6.241 4.261 228 HE1 PHE 30 HE1 PHE 30 -0.568 -1.681 2.322 229 HE2 PHE 30 HE2 PHE 30 -2.348 -5.543 2.933 230 HZ PHE 30 HZ PHE 30 -2.444 -3.264 1.961 231 H ARG 31 HN ARG 31 1.368 -5.809 7.561 232 HA ARG 31 HA ARG 31 -1.388 -5.198 8.035 233 1HB ARG 31 2HB ARG 31 -0.251 -7.438 8.348 234 2HB ARG 31 1HB ARG 31 0.460 -6.796 9.827 235 1HG ARG 31 2HG ARG 31 -1.973 -6.200 10.493 236 2HG ARG 31 1HG ARG 31 -2.444 -7.323 9.215 237 1HD ARG 31 2HD ARG 31 -2.336 -8.595 11.256 238 2HD ARG 31 1HD ARG 31 -0.926 -9.034 10.297 239 HE ARG 31 HE ARG 31 -0.697 -6.951 12.419 240 1HH1 ARG 31 1HH2 ARG 31 0.217 -10.005 11.017 241 2HH1 ARG 31 2HH2 ARG 31 1.593 -10.191 12.047 242 1HH2 ARG 31 1HH1 ARG 31 1.090 -7.224 13.752 243 2HH2 ARG 31 2HH1 ARG 31 2.084 -8.632 13.583 244 H ALA 32 HN ALA 32 1.354 -4.995 10.319 245 HA ALA 32 HA ALA 32 0.109 -3.633 12.407 246 1HB ALA 32 1HB ALA 32 2.533 -2.466 12.519 247 2HB ALA 32 2HB ALA 32 2.898 -3.766 11.384 248 3HB ALA 32 3HB ALA 32 2.266 -4.146 12.986 249 H GLN 33 HN GLN 33 1.439 -2.238 9.422 250 HA GLN 33 HA GLN 33 1.020 0.506 10.212 251 1HB GLN 33 2HB GLN 33 1.637 -0.913 7.647 252 2HB GLN 33 1HB GLN 33 1.155 0.782 7.597 253 1HG GLN 33 2HG GLN 33 3.131 0.255 9.689 254 2HG GLN 33 1HG GLN 33 3.727 -0.165 8.082 255 1HE2 GLN 33 1HE2 GLN 33 1.850 2.517 9.623 256 2HE2 GLN 33 2HE2 GLN 33 2.634 3.750 8.758 257 H THR 34 HN THR 34 -1.140 -1.916 8.995 258 HA THR 34 HA THR 34 -3.146 0.244 8.452 259 HB THR 34 HB THR 34 -4.278 -1.494 6.980 260 HG1 THR 34 HG1 THR 34 -2.445 -3.033 8.028 261 1HG2 THR 34 1HG2 THR 34 -1.482 -0.796 6.079 262 2HG2 THR 34 2HG2 THR 34 -2.754 0.417 6.228 263 3HG2 THR 34 3HG2 THR 34 -2.942 -0.924 5.097 264 H VAL 35 HN VAL 35 -2.574 -1.102 11.039 265 HA VAL 35 HA VAL 35 -4.833 -2.917 11.477 266 HB VAL 35 HB VAL 35 -4.126 -2.764 13.876 267 1HG1 VAL 35 1HG1 VAL 35 -1.644 -3.187 12.257 268 2HG1 VAL 35 2HG1 VAL 35 -3.041 -4.216 11.947 269 3HG1 VAL 35 3HG1 VAL 35 -2.312 -4.178 13.554 270 1HG2 VAL 35 1HG2 VAL 35 -2.826 -0.401 12.878 271 2HG2 VAL 35 2HG2 VAL 35 -1.597 -1.498 13.508 272 3HG2 VAL 35 3HG2 VAL 35 -2.925 -0.976 14.543 273 H GLY 36 HN GLY 36 -6.869 -2.136 11.652 274 1HA GLY 36 2HA GLY 36 -8.634 -0.839 12.541 275 2HA GLY 36 1HA GLY 36 -7.443 0.106 13.433 276 H LYS 37 HN LYS 37 -6.699 -0.178 10.098 277 HA LYS 37 HA LYS 37 -7.883 2.533 9.621 278 1HB LYS 37 2HB LYS 37 -5.196 1.382 8.876 279 2HB LYS 37 1HB LYS 37 -5.884 2.737 7.981 280 1HG LYS 37 2HG LYS 37 -5.844 4.160 9.850 281 2HG LYS 37 1HG LYS 37 -5.742 2.815 10.987 282 1HD LYS 37 2HD LYS 37 -3.520 3.025 9.030 283 2HD LYS 37 1HD LYS 37 -3.593 4.294 10.253 284 1HE LYS 37 2HE LYS 37 -3.935 2.309 11.924 285 2HE LYS 37 1HE LYS 37 -3.249 1.329 10.628 286 1HZ LYS 37 1HE LYS 37 -1.927 3.811 11.526 287 2HZ LYS 37 2HE LYS 37 -1.258 2.490 10.692 288 3HZ LYS 37 3HE LYS 37 -1.666 2.343 12.335 289 H ILE 38 HN ILE 38 -8.339 2.979 7.280 290 HA ILE 38 HA ILE 38 -9.652 0.667 6.065 291 HB ILE 38 HB ILE 38 -9.277 3.495 5.026 292 1HG1 ILE 38 2HG1 ILE 38 -11.639 2.197 6.428 293 2HG1 ILE 38 1HG1 ILE 38 -10.515 3.322 7.192 294 1HG2 ILE 38 1HG2 ILE 38 -11.510 2.632 3.836 295 2HG2 ILE 38 2HG2 ILE 38 -10.709 1.073 4.034 296 3HG2 ILE 38 3HG2 ILE 38 -9.920 2.361 3.124 297 1HD1 ILE 38 1HD1 ILE 38 -12.575 4.468 6.410 298 2HD1 ILE 38 2HD1 ILE 38 -12.219 3.950 4.761 299 3HD1 ILE 38 3HD1 ILE 38 -11.135 5.070 5.587 300 H MET 39 HN MET 39 -8.677 -0.709 4.653 301 HA MET 39 HA MET 39 -6.078 0.124 3.453 302 1HB MET 39 2HB MET 39 -6.358 -2.031 4.849 303 2HB MET 39 1HB MET 39 -7.218 -2.670 3.448 304 1HG MET 39 2HG MET 39 -5.213 -2.035 2.043 305 2HG MET 39 1HG MET 39 -4.361 -1.668 3.543 306 1HE MET 39 1HE MET 39 -6.489 -3.993 1.656 307 2HE MET 39 2HE MET 39 -7.011 -4.796 3.135 308 3HE MET 39 3HE MET 39 -5.951 -5.641 2.009 309 H VAL 40 HN VAL 40 -6.358 0.988 1.438 310 HA VAL 40 HA VAL 40 -8.578 0.039 -0.262 311 HB VAL 40 HB VAL 40 -6.500 2.169 -0.837 312 1HG1 VAL 40 1HG1 VAL 40 -7.923 1.096 -2.708 313 2HG1 VAL 40 2HG1 VAL 40 -7.939 2.855 -2.584 314 3HG1 VAL 40 3HG1 VAL 40 -9.289 1.914 -1.952 315 1HG2 VAL 40 1HG2 VAL 40 -7.678 2.801 1.175 316 2HG2 VAL 40 2HG2 VAL 40 -9.226 2.316 0.483 317 3HG2 VAL 40 3HG2 VAL 40 -8.379 3.725 -0.154 318 H VAL 41 HN VAL 41 -8.236 -1.686 -1.529 319 HA VAL 41 HA VAL 41 -5.590 -1.970 -2.884 320 HB VAL 41 HB VAL 41 -6.047 -4.496 -2.750 321 1HG1 VAL 41 1HG1 VAL 41 -5.607 -3.234 -0.047 322 2HG1 VAL 41 2HG1 VAL 41 -4.417 -3.065 -1.337 323 3HG1 VAL 41 3HG1 VAL 41 -4.838 -4.666 -0.731 324 1HG2 VAL 41 1HG2 VAL 41 -7.833 -3.596 -0.470 325 2HG2 VAL 41 2HG2 VAL 41 -7.511 -5.254 -0.976 326 3HG2 VAL 41 3HG2 VAL 41 -8.440 -4.178 -2.020 327 H GLY 42 HN GLY 42 -5.817 -2.089 -5.074 328 1HA GLY 42 2HA GLY 42 -8.399 -1.888 -6.307 329 2HA GLY 42 1HA GLY 42 -6.882 -2.140 -7.156 330 H ARG 43 HN ARG 43 -9.365 -3.385 -7.818 331 HA ARG 43 HA ARG 43 -9.858 -5.953 -6.874 332 1HB ARG 43 2HB ARG 43 -11.089 -4.664 -8.698 333 2HB ARG 43 1HB ARG 43 -9.859 -5.255 -9.815 334 1HG ARG 43 2HG ARG 43 -10.833 -7.447 -8.212 335 2HG ARG 43 1HG ARG 43 -12.195 -6.610 -8.957 336 1HD ARG 43 2HD ARG 43 -9.735 -7.581 -10.442 337 2HD ARG 43 1HD ARG 43 -11.292 -8.407 -10.420 338 HE ARG 43 HE ARG 43 -11.588 -5.664 -11.285 339 1HH1 ARG 43 1HH2 ARG 43 -10.577 -8.839 -12.257 340 2HH1 ARG 43 2HH2 ARG 43 -10.905 -8.560 -13.933 341 1HH2 ARG 43 1HH1 ARG 43 -12.009 -5.314 -13.473 342 2HH2 ARG 43 2HH1 ARG 43 -11.715 -6.578 -14.618 343 H ARG 44 HN ARG 44 -7.072 -4.911 -8.757 344 HA ARG 44 HA ARG 44 -6.360 -7.576 -9.656 345 1HB ARG 44 2HB ARG 44 -5.074 -4.881 -9.633 346 2HB ARG 44 1HB ARG 44 -4.023 -6.285 -9.815 347 1HG ARG 44 2HG ARG 44 -5.023 -6.930 -11.835 348 2HG ARG 44 1HG ARG 44 -6.505 -6.033 -11.498 349 1HD ARG 44 2HD ARG 44 -5.052 -3.918 -11.602 350 2HD ARG 44 1HD ARG 44 -3.814 -4.935 -12.327 351 HE ARG 44 HE ARG 44 -6.431 -4.246 -13.552 352 1HH1 ARG 44 1HH1 ARG 44 -3.357 -5.870 -13.700 353 2HH1 ARG 44 2HH1 ARG 44 -3.433 -6.089 -15.413 354 1HH2 ARG 44 1HH2 ARG 44 -6.501 -4.530 -15.772 355 2HH2 ARG 44 2HH2 ARG 44 -5.199 -5.338 -16.580 356 H THR 45 HN THR 45 -5.222 -5.457 -7.007 357 HA THR 45 HA THR 45 -3.372 -7.416 -5.964 358 HB THR 45 HB THR 45 -4.646 -5.230 -4.323 359 HG1 THR 45 HG1 THR 45 -2.731 -5.056 -6.393 360 1HG2 THR 45 1HG2 THR 45 -2.914 -7.025 -3.503 361 2HG2 THR 45 2HG2 THR 45 -2.689 -5.334 -3.055 362 3HG2 THR 45 3HG2 THR 45 -1.752 -6.028 -4.377 363 H TYR 46 HN TYR 46 -6.603 -6.349 -4.820 364 HA TYR 46 HA TYR 46 -6.881 -8.116 -2.659 365 1HB TYR 46 2HB TYR 46 -8.517 -6.307 -3.405 366 2HB TYR 46 1HB TYR 46 -9.139 -7.478 -4.569 367 HD1 TYR 46 HD1 TYR 46 -10.487 -9.346 -3.875 368 HD2 TYR 46 HD2 TYR 46 -8.661 -6.777 -0.958 369 HE1 TYR 46 HE1 TYR 46 -11.857 -10.394 -2.092 370 HE2 TYR 46 HE2 TYR 46 -10.030 -7.823 0.824 371 HH TYR 46 HH TYR 46 -12.674 -9.375 0.435 372 H GLU 47 HN GLU 47 -7.170 -8.782 -6.105 373 HA GLU 47 HA GLU 47 -8.222 -11.484 -5.657 374 1HB GLU 47 2HB GLU 47 -7.544 -9.789 -8.007 375 2HB GLU 47 1HB GLU 47 -7.439 -11.535 -8.236 376 1HG GLU 47 HG2 GLU 47 -9.810 -11.314 -6.879 377 2HG GLU 47 HG1 GLU 47 -9.816 -9.831 -7.833 378 H SER 48 HN SER 48 -5.112 -9.983 -5.787 379 HA SER 48 HA SER 48 -3.773 -12.580 -6.326 380 1HB SER 48 2HB SER 48 -3.049 -9.749 -6.624 381 2HB SER 48 1HB SER 48 -1.768 -10.728 -5.916 382 HG SER 48 HG SER 48 -1.611 -11.848 -7.724 383 H PHE 49 HN PHE 49 -4.559 -10.433 -3.710 384 HA PHE 49 HA PHE 49 -2.559 -10.874 -1.819 385 1HB PHE 49 2HB PHE 49 -5.398 -10.206 -1.761 386 2HB PHE 49 1HB PHE 49 -4.923 -11.160 -0.360 387 HD1 PHE 49 HD1 PHE 49 -3.276 -10.336 1.240 388 HD2 PHE 49 HD2 PHE 49 -4.455 -7.980 -2.148 389 HE1 PHE 49 HE1 PHE 49 -2.236 -8.345 2.268 390 HE2 PHE 49 HE2 PHE 49 -3.410 -5.980 -1.115 391 HZ PHE 49 HZ PHE 49 -2.299 -6.164 1.093 392 HA PRO 50 HA PRO 50 -2.710 -15.226 -0.845 393 1HB PRO 50 2HB PRO 50 -1.533 -15.003 1.683 394 2HB PRO 50 1HB PRO 50 -0.668 -15.124 0.144 395 1HG PRO 50 2HG PRO 50 -0.791 -12.887 1.910 396 2HG PRO 50 1HG PRO 50 0.035 -12.999 0.349 397 1HD PRO 50 2HD PRO 50 -2.537 -11.741 1.005 398 2HD PRO 50 1HD PRO 50 -1.488 -11.484 -0.399 399 H LYS 51 HN LYS 51 -3.411 -13.274 2.101 400 HA LYS 51 HA LYS 51 -5.684 -15.154 2.629 401 1HB LYS 51 2HB LYS 51 -3.848 -13.713 4.558 402 2HB LYS 51 1HB LYS 51 -5.330 -14.529 5.056 403 1HG LYS 51 2HG LYS 51 -4.326 -16.565 3.736 404 2HG LYS 51 1HG LYS 51 -2.797 -15.714 3.960 405 1HD LYS 51 2HD LYS 51 -2.742 -16.802 5.958 406 2HD LYS 51 1HD LYS 51 -3.866 -15.543 6.472 407 1HE LYS 51 2HE LYS 51 -4.865 -18.060 5.148 408 2HE LYS 51 1HE LYS 51 -4.544 -18.015 6.881 409 1HZ LYS 51 1HE LYS 51 -6.650 -16.733 5.351 410 2HZ LYS 51 2HE LYS 51 -5.955 -15.777 6.572 411 3HZ LYS 51 3HE LYS 51 -6.651 -17.278 6.957 412 H ARG 52 HN ARG 52 -7.435 -13.994 1.869 413 HA ARG 52 HA ARG 52 -7.770 -11.223 2.955 414 1HB ARG 52 2HB ARG 52 -9.202 -12.214 0.496 415 2HB ARG 52 1HB ARG 52 -8.857 -10.554 0.979 416 1HG ARG 52 2HG ARG 52 -7.114 -10.689 -0.463 417 2HG ARG 52 1HG ARG 52 -6.334 -11.642 0.800 418 1HD ARG 52 2HD ARG 52 -6.224 -12.889 -1.282 419 2HD ARG 52 1HD ARG 52 -7.354 -13.702 -0.200 420 HE ARG 52 HE ARG 52 -8.897 -11.928 -1.736 421 1HH1 ARG 52 1HH1 ARG 52 -6.791 -14.640 -2.237 422 2HH1 ARG 52 2HH1 ARG 52 -7.615 -15.166 -3.665 423 1HH2 ARG 52 1HH2 ARG 52 -9.962 -12.620 -3.593 424 2HH2 ARG 52 2HH2 ARG 52 -9.402 -14.029 -4.430 425 HA PRO 53 HA PRO 53 -9.057 -9.821 3.396 426 1HB PRO 53 2HB PRO 53 -10.618 -8.893 5.488 427 2HB PRO 53 1HB PRO 53 -11.072 -8.813 3.779 428 1HG PRO 53 2HG PRO 53 -12.261 -10.393 5.866 429 2HG PRO 53 1HG PRO 53 -12.755 -10.255 4.172 430 1HD PRO 53 2HD PRO 53 -11.216 -12.387 5.482 431 2HD PRO 53 1HD PRO 53 -12.057 -12.405 3.921 432 H LEU 54 HN LEU 54 -8.202 -8.458 5.361 433 HA LEU 54 HA LEU 54 -6.489 -10.207 6.942 434 1HB LEU 54 2HB LEU 54 -6.883 -7.204 6.903 435 2HB LEU 54 1HB LEU 54 -5.720 -8.011 7.956 436 HG LEU 54 HG LEU 54 -5.647 -8.767 5.082 437 1HD1 LEU 54 1HD1 LEU 54 -4.529 -6.798 4.355 438 2HD1 LEU 54 2HD1 LEU 54 -4.377 -6.183 6.002 439 3HD1 LEU 54 3HD1 LEU 54 -5.956 -6.220 5.215 440 1HD2 LEU 54 1HD2 LEU 54 -3.109 -8.095 6.058 441 2HD2 LEU 54 2HD2 LEU 54 -3.794 -9.717 5.966 442 3HD2 LEU 54 3HD2 LEU 54 -3.944 -8.780 7.452 443 HA PRO 55 HA PRO 55 -8.956 -10.512 10.612 444 1HB PRO 55 2HB PRO 55 -6.794 -10.752 12.404 445 2HB PRO 55 1HB PRO 55 -7.626 -12.071 11.570 446 1HG PRO 55 2HG PRO 55 -4.962 -11.137 11.159 447 2HG PRO 55 1HG PRO 55 -5.806 -12.440 10.311 448 1HD PRO 55 2HD PRO 55 -5.224 -9.733 9.394 449 2HD PRO 55 1HD PRO 55 -5.794 -11.130 8.468 450 H GLU 56 HN GLU 56 -9.856 -9.036 11.974 451 HA GLU 56 HA GLU 56 -10.202 -6.965 13.034 452 1HB GLU 56 2HB GLU 56 -7.432 -7.786 13.907 453 2HB GLU 56 1HB GLU 56 -8.214 -6.336 14.538 454 1HG GLU 56 HG2 GLU 56 -9.983 -7.578 15.513 455 2HG GLU 56 HG1 GLU 56 -9.595 -9.020 14.574 456 H ARG 57 HN ARG 57 -9.360 -6.694 10.297 457 HA ARG 57 HA ARG 57 -8.087 -4.011 10.504 458 1HB ARG 57 2HB ARG 57 -7.040 -6.370 9.012 459 2HB ARG 57 1HB ARG 57 -6.958 -4.807 8.199 460 1HG ARG 57 2HG ARG 57 -5.123 -4.326 9.405 461 2HG ARG 57 1HG ARG 57 -6.123 -4.333 10.856 462 1HD ARG 57 2HD ARG 57 -5.658 -7.048 10.220 463 2HD ARG 57 1HD ARG 57 -4.106 -6.232 10.041 464 HE ARG 57 HE ARG 57 -5.074 -5.264 12.444 465 1HH1 ARG 57 1HH2 ARG 57 -4.553 -8.416 11.082 466 2HH1 ARG 57 2HH2 ARG 57 -4.220 -9.149 12.614 467 1HH2 ARG 57 1HH1 ARG 57 -4.641 -6.230 14.426 468 2HH2 ARG 57 2HH1 ARG 57 -4.268 -7.920 14.497 469 H THR 58 HN THR 58 -8.956 -2.527 9.075 470 HA THR 58 HA THR 58 -11.394 -3.328 7.662 471 HB THR 58 HB THR 58 -10.101 -0.615 7.466 472 HG1 THR 58 HG1 THR 58 -10.276 -0.430 9.530 473 1HG2 THR 58 1HG2 THR 58 -12.078 -0.868 6.144 474 2HG2 THR 58 2HG2 THR 58 -12.559 0.029 7.585 475 3HG2 THR 58 3HG2 THR 58 -12.925 -1.692 7.453 476 H ASN 59 HN ASN 59 -11.377 -4.044 5.591 477 HA ASN 59 HA ASN 59 -9.142 -3.139 3.815 478 1HB ASN 59 2HB ASN 59 -10.580 -5.788 3.554 479 2HB ASN 59 1HB ASN 59 -9.058 -5.300 2.809 480 1HD2 ASN 59 1HD2 ASN 59 -7.800 -4.139 5.126 481 2HD2 ASN 59 2HD2 ASN 59 -7.493 -5.384 6.239 482 H VAL 60 HN VAL 60 -9.788 -2.219 1.891 483 HA VAL 60 HA VAL 60 -12.662 -2.529 1.123 484 HB VAL 60 HB VAL 60 -10.907 -0.067 0.831 485 1HG1 VAL 60 1HG1 VAL 60 -13.481 0.730 0.382 486 2HG1 VAL 60 2HG1 VAL 60 -13.503 -0.887 -0.323 487 3HG1 VAL 60 3HG1 VAL 60 -12.342 0.310 -0.897 488 1HG2 VAL 60 1HG2 VAL 60 -11.969 -0.822 3.144 489 2HG2 VAL 60 2HG2 VAL 60 -13.440 -0.164 2.427 490 3HG2 VAL 60 3HG2 VAL 60 -12.030 0.864 2.634 491 H VAL 61 HN VAL 61 -12.997 -3.106 -1.011 492 HA VAL 61 HA VAL 61 -10.555 -3.463 -2.676 493 HB VAL 61 HB VAL 61 -13.314 -4.575 -3.228 494 1HG1 VAL 61 1HG1 VAL 61 -10.583 -5.652 -3.964 495 2HG1 VAL 61 2HG1 VAL 61 -11.479 -4.540 -4.999 496 3HG1 VAL 61 3HG1 VAL 61 -12.147 -6.128 -4.625 497 1HG2 VAL 61 1HG2 VAL 61 -11.073 -5.758 -1.555 498 2HG2 VAL 61 2HG2 VAL 61 -12.475 -6.665 -2.124 499 3HG2 VAL 61 3HG2 VAL 61 -12.689 -5.327 -0.994 500 H LEU 62 HN LEU 62 -10.524 -2.696 -4.848 501 HA LEU 62 HA LEU 62 -12.629 -0.662 -5.481 502 1HB LEU 62 2HB LEU 62 -9.743 -0.408 -5.311 503 2HB LEU 62 1HB LEU 62 -10.300 -0.019 -6.938 504 HG LEU 62 HG LEU 62 -12.149 1.355 -5.647 505 1HD1 LEU 62 1HD1 LEU 62 -11.798 1.776 -3.446 506 2HD1 LEU 62 2HD1 LEU 62 -10.063 1.968 -3.674 507 3HD1 LEU 62 3HD1 LEU 62 -10.753 0.356 -3.486 508 1HD2 LEU 62 1HD2 LEU 62 -10.904 2.815 -6.869 509 2HD2 LEU 62 2HD2 LEU 62 -9.396 1.979 -6.499 510 3HD2 LEU 62 3HD2 LEU 62 -10.067 3.139 -5.352 511 H THR 63 HN THR 63 -13.725 -1.106 -7.326 512 HA THR 63 HA THR 63 -12.355 -2.516 -9.538 513 HB THR 63 HB THR 63 -13.253 -4.347 -8.180 514 HG1 THR 63 HG1 THR 63 -13.408 -4.398 -10.499 515 1HG2 THR 63 1HG2 THR 63 -15.876 -4.400 -8.124 516 2HG2 THR 63 2HG2 THR 63 -15.728 -2.652 -8.297 517 3HG2 THR 63 3HG2 THR 63 -15.003 -3.464 -6.910 518 H HIS 64 HN HIS 64 -13.640 -2.475 -11.541 519 HA HIS 64 HA HIS 64 -15.381 -0.068 -11.637 520 1HB HIS 64 2HB HIS 64 -13.504 -1.370 -13.466 521 2HB HIS 64 1HB HIS 64 -15.040 -0.996 -14.243 522 HD1 HIS 64 HD1 HIS 64 -15.683 1.492 -14.502 523 HD2 HIS 64 HD2 HIS 64 -12.026 0.918 -12.585 524 HE1 HIS 64 HE1 HIS 64 -14.560 3.760 -14.409 525 H GLN 65 HN GLN 65 -15.850 -3.272 -11.123 526 HA GLN 65 HA GLN 65 -18.080 -3.670 -13.004 527 1HB GLN 65 2HB GLN 65 -16.777 -5.338 -10.860 528 2HB GLN 65 1HB GLN 65 -18.338 -5.807 -11.534 529 1HG GLN 65 2HG GLN 65 -16.608 -6.921 -12.807 530 2HG GLN 65 1HG GLN 65 -17.312 -5.665 -13.826 531 1HE2 GLN 65 1HE2 GLN 65 -14.567 -6.156 -11.540 532 2HE2 GLN 65 2HE2 GLN 65 -13.511 -5.103 -12.351 533 H GLU 66 HN GLU 66 -20.168 -4.586 -11.883 534 HA GLU 66 HA GLU 66 -20.842 -2.778 -9.597 535 1HB GLU 66 2HB GLU 66 -21.948 -2.737 -12.131 536 2HB GLU 66 1HB GLU 66 -23.099 -3.718 -11.224 537 1HG GLU 66 HG2 GLU 66 -23.264 -1.961 -9.508 538 2HG GLU 66 HG1 GLU 66 -22.096 -0.979 -10.393 539 H ASP 67 HN ASP 67 -20.585 -6.013 -10.638 540 HA ASP 67 HA ASP 67 -22.502 -6.925 -8.541 541 1HB ASP 67 2HB ASP 67 -21.380 -8.227 -11.017 542 2HB ASP 67 1HB ASP 67 -22.080 -9.198 -9.722 543 H TYR 68 HN TYR 68 -19.601 -5.951 -8.230 544 HA TYR 68 HA TYR 68 -17.945 -8.194 -7.589 545 1HB TYR 68 2HB TYR 68 -17.360 -5.648 -7.765 546 2HB TYR 68 1HB TYR 68 -17.811 -5.603 -6.062 547 HD1 TYR 68 HD1 TYR 68 -15.476 -7.070 -8.532 548 HD2 TYR 68 HD2 TYR 68 -16.446 -6.656 -4.368 549 HE1 TYR 68 HE1 TYR 68 -13.262 -8.005 -7.922 550 HE2 TYR 68 HE2 TYR 68 -14.232 -7.590 -3.759 551 HH TYR 68 HH TYR 68 -12.514 -9.227 -5.038 552 H GLN 69 HN GLN 69 -18.624 -9.755 -6.178 553 HA GLN 69 HA GLN 69 -20.178 -8.911 -3.781 554 1HB GLN 69 2HB GLN 69 -19.811 -11.588 -5.142 555 2HB GLN 69 1HB GLN 69 -20.612 -11.407 -3.581 556 1HG GLN 69 2HG GLN 69 -21.529 -9.588 -5.744 557 2HG GLN 69 1HG GLN 69 -21.946 -11.292 -5.928 558 1HE2 GLN 69 1HE2 GLN 69 -23.209 -8.495 -4.722 559 2HE2 GLN 69 2HE2 GLN 69 -24.159 -9.120 -3.461 560 H ALA 70 HN ALA 70 -18.892 -8.522 -2.049 561 HA ALA 70 HA ALA 70 -16.852 -10.571 -1.347 562 1HB ALA 70 1HB ALA 70 -16.401 -7.652 -1.816 563 2HB ALA 70 2HB ALA 70 -15.337 -9.017 -2.152 564 3HB ALA 70 3HB ALA 70 -15.516 -8.424 -0.501 565 H GLN 71 HN GLN 71 -18.296 -11.282 0.299 566 HA GLN 71 HA GLN 71 -19.409 -9.407 2.233 567 1HB GLN 71 2HB GLN 71 -19.183 -12.432 2.313 568 2HB GLN 71 1HB GLN 71 -20.147 -11.451 3.418 569 1HG GLN 71 2HG GLN 71 -21.788 -11.102 1.880 570 2HG GLN 71 1HG GLN 71 -20.638 -10.915 0.555 571 1HE2 GLN 71 1HE2 GLN 71 -20.468 -12.662 -0.869 572 2HE2 GLN 71 2HE2 GLN 71 -21.059 -14.223 -0.558 573 H GLY 72 HN GLY 72 -18.408 -8.664 4.035 574 1HA GLY 72 2HA GLY 72 -17.061 -9.092 6.048 575 2HA GLY 72 1HA GLY 72 -16.071 -10.194 5.088 576 H ALA 73 HN ALA 73 -15.912 -8.422 2.772 577 HA ALA 73 HA ALA 73 -14.054 -6.385 3.921 578 1HB ALA 73 1HB ALA 73 -13.362 -6.597 1.271 579 2HB ALA 73 2HB ALA 73 -13.873 -8.244 1.640 580 3HB ALA 73 3HB ALA 73 -12.587 -7.489 2.580 581 H VAL 74 HN VAL 74 -14.232 -4.285 3.244 582 HA VAL 74 HA VAL 74 -16.758 -3.310 2.312 583 HB VAL 74 HB VAL 74 -14.095 -1.883 2.123 584 1HG1 VAL 74 1HG1 VAL 74 -16.956 -1.102 1.911 585 2HG1 VAL 74 2HG1 VAL 74 -15.540 -0.408 1.123 586 3HG1 VAL 74 3HG1 VAL 74 -15.903 -0.004 2.802 587 1HG2 VAL 74 1HG2 VAL 74 -14.234 -2.639 4.376 588 2HG2 VAL 74 2HG2 VAL 74 -15.968 -2.331 4.451 589 3HG2 VAL 74 3HG2 VAL 74 -14.834 -0.981 4.412 590 H VAL 75 HN VAL 75 -17.146 -2.146 0.195 591 HA VAL 75 HA VAL 75 -15.341 -2.932 -2.010 592 HB VAL 75 HB VAL 75 -18.300 -3.619 -1.963 593 1HG1 VAL 75 1HG1 VAL 75 -17.311 -4.893 -4.119 594 2HG1 VAL 75 2HG1 VAL 75 -16.219 -3.508 -4.091 595 3HG1 VAL 75 3HG1 VAL 75 -17.961 -3.256 -4.207 596 1HG2 VAL 75 1HG2 VAL 75 -15.786 -5.200 -1.549 597 2HG2 VAL 75 2HG2 VAL 75 -17.146 -5.968 -2.368 598 3HG2 VAL 75 3HG2 VAL 75 -17.343 -5.344 -0.730 599 H VAL 76 HN VAL 76 -15.192 -1.222 -3.423 600 HA VAL 76 HA VAL 76 -17.481 0.663 -3.637 601 HB VAL 76 HB VAL 76 -15.902 2.594 -3.424 602 1HG1 VAL 76 1HG1 VAL 76 -15.433 1.307 -0.842 603 2HG1 VAL 76 2HG1 VAL 76 -17.086 1.075 -1.408 604 3HG1 VAL 76 3HG1 VAL 76 -16.436 2.704 -1.231 605 1HG2 VAL 76 1HG2 VAL 76 -13.681 2.230 -3.392 606 2HG2 VAL 76 2HG2 VAL 76 -13.980 0.500 -3.549 607 3HG2 VAL 76 3HG2 VAL 76 -13.839 1.229 -1.949 608 H HIS 77 HN HIS 77 -17.229 2.109 -5.559 609 HA HIS 77 HA HIS 77 -15.281 1.075 -7.571 610 1HB HIS 77 2HB HIS 77 -18.111 1.768 -8.350 611 2HB HIS 77 1HB HIS 77 -16.927 0.813 -9.240 612 HD1 HIS 77 HD1 HIS 77 -16.077 -1.170 -7.043 613 HD2 HIS 77 HD2 HIS 77 -20.045 -0.151 -7.810 614 HE1 HIS 77 HE1 HIS 77 -17.490 -3.079 -6.162 615 H ASP 78 HN ASP 78 -15.376 3.547 -5.913 616 HA ASP 78 HA ASP 78 -14.807 5.438 -8.026 617 1HB ASP 78 2HB ASP 78 -17.471 5.298 -7.535 618 2HB ASP 78 1HB ASP 78 -17.000 6.501 -6.334 619 H VAL 79 HN VAL 79 -12.956 6.164 -7.083 620 HA VAL 79 HA VAL 79 -12.161 6.236 -4.454 621 HB VAL 79 HB VAL 79 -11.671 8.420 -6.499 622 1HG1 VAL 79 1HG1 VAL 79 -9.431 8.358 -5.029 623 2HG1 VAL 79 2HG1 VAL 79 -10.573 7.831 -3.790 624 3HG1 VAL 79 3HG1 VAL 79 -10.802 9.382 -4.600 625 1HG2 VAL 79 1HG2 VAL 79 -10.976 5.684 -6.529 626 2HG2 VAL 79 2HG2 VAL 79 -9.511 6.542 -6.056 627 3HG2 VAL 79 3HG2 VAL 79 -10.326 6.956 -7.562 628 H ALA 80 HN ALA 80 -14.443 8.459 -5.965 629 HA ALA 80 HA ALA 80 -14.470 10.496 -3.985 630 1HB ALA 80 1HB ALA 80 -16.020 9.785 -6.268 631 2HB ALA 80 2HB ALA 80 -16.019 11.317 -5.395 632 3HB ALA 80 3HB ALA 80 -17.140 10.038 -4.929 633 H ALA 81 HN ALA 81 -16.327 7.460 -4.189 634 HA ALA 81 HA ALA 81 -17.821 7.875 -1.774 635 1HB ALA 81 1HB ALA 81 -18.771 6.163 -2.983 636 2HB ALA 81 2HB ALA 81 -17.752 5.190 -1.923 637 3HB ALA 81 3HB ALA 81 -17.214 5.568 -3.559 638 H VAL 82 HN VAL 82 -14.788 6.094 -2.419 639 HA VAL 82 HA VAL 82 -14.334 5.129 0.199 640 HB VAL 82 HB VAL 82 -12.139 6.133 -1.626 641 1HG1 VAL 82 1HG1 VAL 82 -11.362 3.728 -0.602 642 2HG1 VAL 82 2HG1 VAL 82 -12.370 4.333 0.713 643 3HG1 VAL 82 3HG1 VAL 82 -10.993 5.280 0.149 644 1HG2 VAL 82 1HG2 VAL 82 -12.669 3.358 -2.046 645 2HG2 VAL 82 2HG2 VAL 82 -12.785 4.674 -3.213 646 3HG2 VAL 82 3HG2 VAL 82 -14.190 4.226 -2.249 647 H PHE 83 HN PHE 83 -13.416 8.256 -1.254 648 HA PHE 83 HA PHE 83 -11.976 9.281 0.971 649 1HB PHE 83 2HB PHE 83 -13.373 10.458 -1.382 650 2HB PHE 83 1HB PHE 83 -13.017 11.544 -0.040 651 HD1 PHE 83 HD1 PHE 83 -11.718 10.150 -3.008 652 HD2 PHE 83 HD2 PHE 83 -10.573 11.269 0.974 653 HE1 PHE 83 HE1 PHE 83 -9.347 10.298 -3.726 654 HE2 PHE 83 HE2 PHE 83 -8.209 11.414 0.255 655 HZ PHE 83 HZ PHE 83 -7.598 10.922 -2.093 656 H ALA 84 HN ALA 84 -15.435 9.065 0.360 657 HA ALA 84 HA ALA 84 -16.264 10.890 2.421 658 1HB ALA 84 1HB ALA 84 -17.912 8.490 1.691 659 2HB ALA 84 2HB ALA 84 -17.625 9.736 0.475 660 3HB ALA 84 3HB ALA 84 -18.429 10.150 1.989 661 H TYR 85 HN TYR 85 -16.191 7.302 2.423 662 HA TYR 85 HA TYR 85 -16.921 6.767 5.022 663 1HB TYR 85 2HB TYR 85 -16.000 5.234 3.050 664 2HB TYR 85 1HB TYR 85 -14.519 5.314 4.004 665 HD1 TYR 85 HD1 TYR 85 -18.209 4.826 4.517 666 HD2 TYR 85 HD2 TYR 85 -14.222 3.721 5.676 667 HE1 TYR 85 HE1 TYR 85 -19.132 3.146 6.091 668 HE2 TYR 85 HE2 TYR 85 -15.145 2.041 7.251 669 HH TYR 85 HH TYR 85 -17.132 0.787 7.645 670 H ALA 86 HN ALA 86 -13.494 7.320 4.064 671 HA ALA 86 HA ALA 86 -12.413 7.251 6.675 672 1HB ALA 86 1HB ALA 86 -10.842 7.275 4.925 673 2HB ALA 86 2HB ALA 86 -10.660 8.867 5.661 674 3HB ALA 86 3HB ALA 86 -11.575 8.686 4.164 675 H LYS 87 HN LYS 87 -13.735 10.032 4.879 676 HA LYS 87 HA LYS 87 -13.175 11.987 6.899 677 1HB LYS 87 2HB LYS 87 -14.693 11.840 4.413 678 2HB LYS 87 1HB LYS 87 -15.532 12.807 5.626 679 1HG LYS 87 2HG LYS 87 -12.589 13.215 5.157 680 2HG LYS 87 1HG LYS 87 -13.766 13.966 4.078 681 1HD LYS 87 2HD LYS 87 -14.911 14.757 6.294 682 2HD LYS 87 1HD LYS 87 -13.336 14.431 7.019 683 1HE LYS 87 2HE LYS 87 -12.341 16.194 5.967 684 2HE LYS 87 1HE LYS 87 -13.268 15.961 4.484 685 1HZ LYS 87 1HE LYS 87 -15.096 17.082 5.368 686 2HZ LYS 87 2HE LYS 87 -13.765 18.020 5.851 687 3HZ LYS 87 3HE LYS 87 -14.521 16.979 6.960 688 H GLN 88 HN GLN 88 -15.667 9.575 6.553 689 HA GLN 88 HA GLN 88 -17.307 10.785 8.688 690 1HB GLN 88 2HB GLN 88 -17.772 8.965 6.519 691 2HB GLN 88 1HB GLN 88 -18.251 8.185 8.026 692 1HG GLN 88 2HG GLN 88 -20.193 9.356 7.443 693 2HG GLN 88 1HG GLN 88 -19.400 10.480 8.547 694 1HE2 GLN 88 1HE2 GLN 88 -19.406 9.709 5.014 695 2HE2 GLN 88 2HE2 GLN 88 -19.293 11.328 4.516 696 H HIS 89 HN HIS 89 -14.809 8.340 8.409 697 HA HIS 89 HA HIS 89 -15.617 7.134 10.987 698 1HB HIS 89 2HB HIS 89 -13.807 6.405 8.748 699 2HB HIS 89 1HB HIS 89 -13.298 5.891 10.356 700 HD1 HIS 89 HD1 HIS 89 -14.198 3.665 10.992 701 HD2 HIS 89 HD2 HIS 89 -16.783 5.662 8.403 702 HE1 HIS 89 HE1 HIS 89 -16.150 2.105 10.586 703 HA PRO 90 HA PRO 90 -12.693 9.957 12.975 704 1HB PRO 90 2HB PRO 90 -13.617 9.350 15.522 705 2HB PRO 90 1HB PRO 90 -14.274 10.615 14.473 706 1HG PRO 90 2HG PRO 90 -15.509 8.146 15.296 707 2HG PRO 90 1HG PRO 90 -16.203 9.467 14.346 708 1HD PRO 90 2HD PRO 90 -15.193 6.888 13.430 709 2HD PRO 90 1HD PRO 90 -16.139 8.097 12.545 710 H ASP 91 HN ASP 91 -12.694 6.653 12.830 711 HA ASP 91 HA ASP 91 -10.194 6.504 14.429 712 1HB ASP 91 2HB ASP 91 -12.497 5.549 15.512 713 2HB ASP 91 1HB ASP 91 -11.959 4.127 14.617 714 H GLN 92 HN GLN 92 -11.408 6.291 11.502 715 HA GLN 92 HA GLN 92 -9.493 4.205 10.652 716 1HB GLN 92 2HB GLN 92 -12.254 3.673 10.816 717 2HB GLN 92 1HB GLN 92 -11.957 4.004 9.111 718 1HG GLN 92 2HG GLN 92 -11.009 1.982 8.858 719 2HG GLN 92 1HG GLN 92 -9.829 2.354 10.113 720 1HE2 GLN 92 1HE2 GLN 92 -13.204 1.179 9.701 721 2HE2 GLN 92 2HE2 GLN 92 -13.216 0.253 11.123 722 H GLU 93 HN GLU 93 -8.220 5.691 9.492 723 HA GLU 93 HA GLU 93 -9.563 7.729 7.857 724 1HB GLU 93 2HB GLU 93 -6.693 7.111 8.547 725 2HB GLU 93 1HB GLU 93 -7.101 8.284 7.296 726 1HG GLU 93 HG2 GLU 93 -7.994 9.785 8.791 727 2HG GLU 93 HG1 GLU 93 -8.532 8.521 9.898 728 H LEU 94 HN LEU 94 -7.819 7.901 5.716 729 HA LEU 94 HA LEU 94 -8.607 5.491 4.155 730 1HB LEU 94 2HB LEU 94 -9.069 8.073 3.568 731 2HB LEU 94 1HB LEU 94 -7.481 7.907 2.827 732 HG LEU 94 HG LEU 94 -8.570 5.660 1.881 733 1HD1 LEU 94 1HD1 LEU 94 -10.794 7.192 2.987 734 2HD1 LEU 94 2HD1 LEU 94 -10.771 5.538 2.381 735 3HD1 LEU 94 3HD1 LEU 94 -11.004 6.884 1.266 736 1HD2 LEU 94 1HD2 LEU 94 -9.539 7.394 0.023 737 2HD2 LEU 94 2HD2 LEU 94 -7.825 7.015 0.190 738 3HD2 LEU 94 3HD2 LEU 94 -8.482 8.472 0.936 739 H VAL 95 HN VAL 95 -7.000 4.007 3.903 740 HA VAL 95 HA VAL 95 -4.200 5.033 3.633 741 HB VAL 95 HB VAL 95 -5.018 2.342 4.768 742 1HG1 VAL 95 1HG1 VAL 95 -2.399 3.449 5.445 743 2HG1 VAL 95 2HG1 VAL 95 -2.603 3.222 3.708 744 3HG1 VAL 95 3HG1 VAL 95 -2.813 1.859 4.807 745 1HG2 VAL 95 1HG2 VAL 95 -5.746 3.902 6.393 746 2HG2 VAL 95 2HG2 VAL 95 -4.384 4.981 6.088 747 3HG2 VAL 95 3HG2 VAL 95 -4.128 3.452 6.929 748 H ILE 96 HN ILE 96 -3.242 4.484 1.728 749 HA ILE 96 HA ILE 96 -4.752 2.789 -0.139 750 HB ILE 96 HB ILE 96 -2.068 4.095 -0.626 751 1HG1 ILE 96 2HG1 ILE 96 -3.663 5.803 0.191 752 2HG1 ILE 96 1HG1 ILE 96 -3.333 6.023 -1.525 753 1HG2 ILE 96 1HG2 ILE 96 -3.911 4.045 -2.839 754 2HG2 ILE 96 2HG2 ILE 96 -3.775 2.425 -2.154 755 3HG2 ILE 96 3HG2 ILE 96 -2.334 3.275 -2.698 756 1HD1 ILE 96 1HD1 ILE 96 -5.738 4.586 -0.366 757 2HD1 ILE 96 2HD1 ILE 96 -5.408 4.827 -2.082 758 3HD1 ILE 96 3HD1 ILE 96 -5.746 6.216 -1.045 759 H ALA 97 HN ALA 97 -4.010 0.829 -0.990 760 HA ALA 97 HA ALA 97 -1.570 -0.322 0.291 761 1HB ALA 97 1HB ALA 97 -2.865 -2.556 0.085 762 2HB ALA 97 2HB ALA 97 -4.302 -1.546 -0.071 763 3HB ALA 97 3HB ALA 97 -3.321 -1.463 1.392 764 H GLY 98 HN GLY 98 -2.970 0.651 -2.545 765 1HA GLY 98 2HA GLY 98 -1.822 0.448 -4.647 766 2HA GLY 98 1HA GLY 98 -1.127 -1.073 -4.099 767 H GLY 99 HN GLY 99 -3.486 -2.394 -6.453 768 1HA GLY 99 2HA GLY 99 -0.730 -2.090 -5.663 769 2HA GLY 99 1HA GLY 99 -1.306 -2.634 -7.233 770 H ALA 100 HN ALA 100 -0.074 -1.379 -8.575 771 HA ALA 100 HA ALA 100 0.639 1.351 -8.128 772 1HB ALA 100 1HB ALA 100 0.332 0.441 -10.938 773 2HB ALA 100 2HB ALA 100 1.410 -0.517 -9.923 774 3HB ALA 100 3HB ALA 100 1.709 1.207 -10.145 775 H GLN 101 HN GLN 101 -2.082 -0.098 -9.897 776 HA GLN 101 HA GLN 101 -3.092 2.254 -11.075 777 1HB GLN 101 2HB GLN 101 -4.167 -0.399 -10.373 778 2HB GLN 101 1HB GLN 101 -5.383 0.878 -10.447 779 1HG GLN 101 2HG GLN 101 -3.360 0.755 -12.643 780 2HG GLN 101 1HG GLN 101 -4.643 -0.455 -12.637 781 1HE2 GLN 101 1HE2 GLN 101 -6.875 0.307 -12.886 782 2HE2 GLN 101 2HE2 GLN 101 -7.211 1.872 -13.450 783 H ILE 102 HN ILE 102 -3.607 1.001 -7.737 784 HA ILE 102 HA ILE 102 -5.499 3.111 -7.127 785 HB ILE 102 HB ILE 102 -3.921 1.358 -5.225 786 1HG1 ILE 102 2HG1 ILE 102 -5.138 -0.018 -6.858 787 2HG1 ILE 102 1HG1 ILE 102 -5.929 -0.109 -5.285 788 1HG2 ILE 102 1HG2 ILE 102 -6.672 2.485 -4.770 789 2HG2 ILE 102 2HG2 ILE 102 -5.252 3.483 -4.464 790 3HG2 ILE 102 3HG2 ILE 102 -5.472 1.971 -3.585 791 1HD1 ILE 102 1HD1 ILE 102 -6.774 1.654 -7.603 792 2HD1 ILE 102 2HD1 ILE 102 -7.540 1.634 -6.015 793 3HD1 ILE 102 3HD1 ILE 102 -7.607 0.205 -7.044 794 H PHE 103 HN PHE 103 -1.985 2.833 -6.969 795 HA PHE 103 HA PHE 103 -1.653 5.018 -5.091 796 1HB PHE 103 2HB PHE 103 0.244 3.781 -7.113 797 2HB PHE 103 1HB PHE 103 0.714 5.023 -5.958 798 HD1 PHE 103 HD1 PHE 103 1.416 1.863 -6.386 799 HD2 PHE 103 HD2 PHE 103 -0.834 4.181 -3.556 800 HE1 PHE 103 HE1 PHE 103 1.797 0.124 -4.659 801 HE2 PHE 103 HE2 PHE 103 -0.458 2.441 -1.831 802 HZ PHE 103 HZ PHE 103 0.858 0.413 -2.381 803 H THR 104 HN THR 104 -2.249 4.776 -8.512 804 HA THR 104 HA THR 104 -1.273 7.463 -9.122 805 HB THR 104 HB THR 104 -3.180 5.991 -10.904 806 HG1 THR 104 HG1 THR 104 -0.726 5.085 -10.007 807 1HG2 THR 104 1HG2 THR 104 -2.423 8.033 -11.802 808 2HG2 THR 104 2HG2 THR 104 -1.378 6.829 -12.557 809 3HG2 THR 104 3HG2 THR 104 -0.782 7.789 -11.203 810 H ALA 105 HN ALA 105 -4.528 5.958 -8.931 811 HA ALA 105 HA ALA 105 -5.983 8.340 -9.437 812 1HB ALA 105 1HB ALA 105 -7.275 6.588 -7.479 813 2HB ALA 105 2HB ALA 105 -6.626 5.700 -8.858 814 3HB ALA 105 3HB ALA 105 -7.781 7.007 -9.116 815 H PHE 106 HN PHE 106 -4.492 7.155 -6.469 816 HA PHE 106 HA PHE 106 -5.729 9.389 -4.949 817 1HB PHE 106 2HB PHE 106 -4.102 6.987 -4.086 818 2HB PHE 106 1HB PHE 106 -4.655 8.242 -2.978 819 HD1 PHE 106 HD1 PHE 106 -6.817 8.152 -2.065 820 HD2 PHE 106 HD2 PHE 106 -5.896 5.820 -5.546 821 HE1 PHE 106 HE1 PHE 106 -9.028 7.046 -1.910 822 HE2 PHE 106 HE2 PHE 106 -8.105 4.712 -5.392 823 HZ PHE 106 HZ PHE 106 -9.673 5.326 -3.574 824 H LYS 107 HN LYS 107 -2.904 8.900 -6.736 825 HA LYS 107 HA LYS 107 -0.864 9.921 -5.108 826 1HB LYS 107 2HB LYS 107 0.343 10.458 -7.083 827 2HB LYS 107 1HB LYS 107 -0.650 9.066 -7.496 828 1HG LYS 107 2HG LYS 107 -2.029 10.294 -8.892 829 2HG LYS 107 1HG LYS 107 -1.781 11.792 -8.009 830 1HD LYS 107 2HD LYS 107 -0.201 12.397 -9.478 831 2HD LYS 107 1HD LYS 107 0.753 10.985 -9.023 832 1HE LYS 107 2HE LYS 107 -0.157 9.662 -10.743 833 2HE LYS 107 1HE LYS 107 -1.549 10.725 -10.950 834 1HZ LYS 107 1HE LYS 107 0.129 12.465 -11.642 835 2HZ LYS 107 2HE LYS 107 -0.138 11.193 -12.737 836 3HZ LYS 107 3HE LYS 107 1.255 11.202 -11.764 837 H ASP 108 HN ASP 108 -3.383 11.809 -6.832 838 HA ASP 108 HA ASP 108 -2.204 14.363 -6.215 839 1HB ASP 108 2HB ASP 108 -4.205 13.565 -7.852 840 2HB ASP 108 1HB ASP 108 -5.154 14.172 -6.495 841 H ASP 109 HN ASP 109 -4.618 12.342 -4.566 842 HA ASP 109 HA ASP 109 -4.761 14.339 -2.366 843 1HB ASP 109 2HB ASP 109 -6.464 12.009 -3.220 844 2HB ASP 109 1HB ASP 109 -6.584 12.643 -1.579 845 H VAL 110 HN VAL 110 -2.668 13.857 -1.413 846 HA VAL 110 HA VAL 110 -2.576 11.174 -0.093 847 HB VAL 110 HB VAL 110 -0.183 12.824 -0.945 848 1HG1 VAL 110 1HG1 VAL 110 1.107 10.935 -0.318 849 2HG1 VAL 110 2HG1 VAL 110 -0.312 9.891 -0.236 850 3HG1 VAL 110 3HG1 VAL 110 -0.058 11.132 0.990 851 1HG2 VAL 110 1HG2 VAL 110 -0.408 11.998 -3.025 852 2HG2 VAL 110 2HG2 VAL 110 -1.941 11.253 -2.561 853 3HG2 VAL 110 3HG2 VAL 110 -0.435 10.358 -2.382 854 H ASP 111 HN ASP 111 -1.785 11.170 2.070 855 HA ASP 111 HA ASP 111 -1.394 13.858 3.313 856 1HB ASP 111 2HB ASP 111 -3.673 12.339 3.656 857 2HB ASP 111 1HB ASP 111 -2.691 11.858 5.039 858 H THR 112 HN THR 112 -0.817 10.372 3.446 859 HA THR 112 HA THR 112 1.688 10.916 4.958 860 HB THR 112 HB THR 112 -0.167 8.633 5.668 861 HG1 THR 112 HG1 THR 112 0.195 11.124 6.964 862 1HG2 THR 112 1HG2 THR 112 1.569 9.448 7.771 863 2HG2 THR 112 2HG2 THR 112 2.541 9.285 6.307 864 3HG2 THR 112 3HG2 THR 112 1.578 7.924 6.882 865 H LEU 113 HN LEU 113 3.385 9.745 4.138 866 HA LEU 113 HA LEU 113 2.706 7.615 2.142 867 1HB LEU 113 2HB LEU 113 5.139 9.421 2.222 868 2HB LEU 113 1HB LEU 113 4.808 8.193 1.002 869 HG LEU 113 HG LEU 113 2.755 10.311 1.561 870 1HD1 LEU 113 1HD1 LEU 113 3.783 11.743 -0.149 871 2HD1 LEU 113 2HD1 LEU 113 5.127 10.612 -0.308 872 3HD1 LEU 113 3HD1 LEU 113 4.899 11.505 1.196 873 1HD2 LEU 113 1HD2 LEU 113 1.799 8.973 -0.008 874 2HD2 LEU 113 2HD2 LEU 113 3.341 8.240 -0.454 875 3HD2 LEU 113 3HD2 LEU 113 2.871 9.795 -1.142 876 H LEU 114 HN LEU 114 3.456 5.597 2.567 877 HA LEU 114 HA LEU 114 5.665 5.312 4.559 878 1HB LEU 114 2HB LEU 114 3.346 3.394 4.232 879 2HB LEU 114 1HB LEU 114 4.555 3.406 5.516 880 HG LEU 114 HG LEU 114 2.891 5.863 5.096 881 1HD1 LEU 114 1HD1 LEU 114 1.481 3.641 5.182 882 2HD1 LEU 114 2HD1 LEU 114 1.006 5.023 6.168 883 3HD1 LEU 114 3HD1 LEU 114 1.891 3.684 6.896 884 1HD2 LEU 114 1HD2 LEU 114 3.177 5.985 7.558 885 2HD2 LEU 114 2HD2 LEU 114 4.728 5.869 6.726 886 3HD2 LEU 114 3HD2 LEU 114 4.046 4.451 7.521 887 H VAL 115 HN VAL 115 7.317 4.780 3.236 888 HA VAL 115 HA VAL 115 6.860 2.554 1.276 889 HB VAL 115 HB VAL 115 7.350 4.712 0.187 890 1HG1 VAL 115 1HG1 VAL 115 10.055 4.521 1.527 891 2HG1 VAL 115 2HG1 VAL 115 8.763 5.582 2.086 892 3HG1 VAL 115 3HG1 VAL 115 9.469 5.818 0.487 893 1HG2 VAL 115 1HG2 VAL 115 9.631 2.722 -0.017 894 2HG2 VAL 115 2HG2 VAL 115 9.164 3.895 -1.248 895 3HG2 VAL 115 3HG2 VAL 115 8.077 2.567 -0.839 896 H THR 116 HN THR 116 8.245 0.837 1.261 897 HA THR 116 HA THR 116 10.346 0.781 3.386 898 HB THR 116 HB THR 116 9.434 -1.713 2.007 899 HG1 THR 116 HG1 THR 116 7.644 -1.839 3.371 900 1HG2 THR 116 1HG2 THR 116 9.530 -2.299 4.610 901 2HG2 THR 116 2HG2 THR 116 10.553 -0.862 4.634 902 3HG2 THR 116 3HG2 THR 116 10.988 -2.236 3.618 903 H ARG 117 HN ARG 117 12.338 1.177 2.499 904 HA ARG 117 HA ARG 117 12.829 0.362 -0.313 905 1HB ARG 117 2HB ARG 117 14.258 2.200 1.606 906 2HB ARG 117 1HB ARG 117 15.022 1.658 0.111 907 1HG ARG 117 2HG ARG 117 12.951 2.471 -1.116 908 2HG ARG 117 1HG ARG 117 12.447 3.226 0.396 909 1HD ARG 117 2HD ARG 117 15.039 4.094 0.196 910 2HD ARG 117 1HD ARG 117 14.559 4.040 -1.498 911 HE ARG 117 HE ARG 117 13.499 5.861 0.540 912 1HH1 ARG 117 1HH2 ARG 117 13.027 4.331 -2.543 913 2HH1 ARG 117 2HH2 ARG 117 11.922 5.539 -3.102 914 1HH2 ARG 117 1HH1 ARG 117 12.063 7.422 -0.202 915 2HH2 ARG 117 2HH1 ARG 117 11.379 7.278 -1.787 916 H LEU 118 HN LEU 118 13.632 -1.650 -0.576 917 HA LEU 118 HA LEU 118 15.061 -3.001 1.608 918 1HB LEU 118 2HB LEU 118 14.259 -3.857 -1.185 919 2HB LEU 118 1HB LEU 118 15.192 -4.887 -0.102 920 HG LEU 118 HG LEU 118 13.351 -4.611 1.607 921 1HD1 LEU 118 1HD1 LEU 118 12.122 -3.172 -0.740 922 2HD1 LEU 118 2HD1 LEU 118 12.210 -2.656 0.945 923 3HD1 LEU 118 3HD1 LEU 118 11.112 -3.953 0.476 924 1HD2 LEU 118 1HD2 LEU 118 12.141 -5.748 -0.893 925 2HD2 LEU 118 2HD2 LEU 118 12.158 -6.412 0.741 926 3HD2 LEU 118 3HD2 LEU 118 13.613 -6.479 -0.252 927 H ALA 119 HN ALA 119 17.219 -3.944 1.287 928 HA ALA 119 HA ALA 119 19.003 -2.060 -0.082 929 1HB ALA 119 1HB ALA 119 19.684 -2.907 2.097 930 2HB ALA 119 2HB ALA 119 20.807 -3.510 0.878 931 3HB ALA 119 3HB ALA 119 19.557 -4.571 1.527 932 H GLY 120 HN GLY 120 17.706 -5.282 -0.619 933 1HA GLY 120 2HA GLY 120 19.624 -6.005 -2.679 934 2HA GLY 120 1HA GLY 120 18.093 -6.823 -2.358 935 H SER 121 HN SER 121 18.819 -6.407 -4.994 936 HA SER 121 HA SER 121 16.939 -4.228 -5.814 937 1HB SER 121 2HB SER 121 18.352 -3.912 -7.822 938 2HB SER 121 1HB SER 121 19.251 -3.605 -6.340 939 HG SER 121 HG SER 121 20.427 -4.943 -7.754 940 H PHE 122 HN PHE 122 15.185 -5.083 -6.772 941 HA PHE 122 HA PHE 122 15.481 -7.686 -8.213 942 1HB PHE 122 2HB PHE 122 12.947 -6.506 -7.043 943 2HB PHE 122 1HB PHE 122 13.169 -8.139 -7.675 944 HD1 PHE 122 HD1 PHE 122 14.152 -9.868 -6.344 945 HD2 PHE 122 HD2 PHE 122 14.199 -5.796 -4.983 946 HE1 PHE 122 HE1 PHE 122 14.950 -10.620 -4.119 947 HE2 PHE 122 HE2 PHE 122 14.993 -6.546 -2.757 948 HZ PHE 122 HZ PHE 122 15.370 -8.959 -2.325 949 H GLU 123 HN GLU 123 14.008 -7.943 -10.108 950 HA GLU 123 HA GLU 123 13.608 -5.324 -11.505 951 1HB GLU 123 2HB GLU 123 13.923 -6.661 -13.627 952 2HB GLU 123 1HB GLU 123 15.365 -6.545 -12.618 953 1HG GLU 123 HG2 GLU 123 15.352 -8.768 -12.113 954 2HG GLU 123 HG1 GLU 123 13.592 -8.837 -12.016 955 H GLY 124 HN GLY 124 11.837 -5.425 -13.195 956 1HA GLY 124 2HA GLY 124 9.865 -7.471 -13.263 957 2HA GLY 124 1HA GLY 124 9.374 -6.288 -12.049 958 H ASP 125 HN ASP 125 7.554 -5.566 -13.373 959 HA ASP 125 HA ASP 125 8.410 -3.747 -15.556 960 1HB ASP 125 2HB ASP 125 6.866 -6.167 -15.870 961 2HB ASP 125 1HB ASP 125 5.860 -4.773 -16.263 962 H THR 126 HN THR 126 6.524 -4.431 -12.794 963 HA THR 126 HA THR 126 4.900 -1.952 -13.189 964 HB THR 126 HB THR 126 4.381 -4.106 -11.129 965 HG1 THR 126 HG1 THR 126 2.745 -4.749 -12.712 966 1HG2 THR 126 1HG2 THR 126 2.357 -3.032 -10.777 967 2HG2 THR 126 2HG2 THR 126 2.324 -2.341 -12.400 968 3HG2 THR 126 3HG2 THR 126 3.386 -1.654 -11.170 969 H LYS 127 HN LYS 127 5.617 -0.246 -12.033 970 HA LYS 127 HA LYS 127 7.066 -0.791 -9.476 971 1HB LYS 127 2HB LYS 127 7.739 1.319 -11.548 972 2HB LYS 127 1HB LYS 127 8.535 1.136 -9.985 973 1HG LYS 127 2HG LYS 127 9.241 -1.144 -10.607 974 2HG LYS 127 1HG LYS 127 8.450 -0.963 -12.172 975 1HD LYS 127 2HD LYS 127 9.987 0.671 -12.897 976 2HD LYS 127 1HD LYS 127 10.533 1.014 -11.254 977 1HE LYS 127 2HE LYS 127 12.279 -0.335 -11.863 978 2HE LYS 127 1HE LYS 127 11.158 -1.615 -11.401 979 1HZ LYS 127 1HE LYS 127 11.985 -0.737 -14.061 980 2HZ LYS 127 2HE LYS 127 10.382 -1.268 -13.881 981 3HZ LYS 127 3HE LYS 127 11.672 -2.301 -13.485 982 H MET 128 HN MET 128 7.072 1.175 -8.033 983 HA MET 128 HA MET 128 4.403 2.103 -7.616 984 1HB MET 128 2HB MET 128 6.603 2.008 -6.063 985 2HB MET 128 1HB MET 128 6.653 3.711 -6.522 986 1HG MET 128 2HG MET 128 3.979 2.710 -5.763 987 2HG MET 128 1HG MET 128 5.159 2.733 -4.458 988 1HE MET 128 1HE MET 128 3.529 5.089 -3.177 989 2HE MET 128 2HE MET 128 2.788 3.904 -4.251 990 3HE MET 128 3HE MET 128 2.525 5.623 -4.533 991 H ILE 129 HN ILE 129 3.605 4.306 -7.787 992 HA ILE 129 HA ILE 129 4.337 5.559 -10.300 993 HB ILE 129 HB ILE 129 2.585 7.220 -9.640 994 1HG1 ILE 129 2HG1 ILE 129 1.613 5.734 -7.349 995 2HG1 ILE 129 1HG1 ILE 129 3.245 6.325 -7.046 996 1HG2 ILE 129 1HG2 ILE 129 2.296 4.574 -10.370 997 2HG2 ILE 129 2HG2 ILE 129 0.999 5.766 -10.339 998 3HG2 ILE 129 3HG2 ILE 129 1.246 4.697 -8.958 999 1HD1 ILE 129 1HD1 ILE 129 0.816 7.804 -6.961 1000 2HD1 ILE 129 2HD1 ILE 129 1.736 8.401 -8.340 1001 3HD1 ILE 129 3HD1 ILE 129 2.455 8.408 -6.731 1002 HA PRO 130 HA PRO 130 7.100 8.742 -8.943 1003 1HB PRO 130 2HB PRO 130 6.002 10.918 -10.366 1004 2HB PRO 130 1HB PRO 130 7.231 9.785 -10.946 1005 1HG PRO 130 2HG PRO 130 4.544 10.054 -11.845 1006 2HG PRO 130 1HG PRO 130 5.756 8.880 -12.377 1007 1HD PRO 130 2HD PRO 130 3.474 8.498 -10.593 1008 2HD PRO 130 1HD PRO 130 4.473 7.284 -11.407 1009 H LEU 131 HN LEU 131 6.706 9.176 -6.757 1010 HA LEU 131 HA LEU 131 4.426 10.907 -6.020 1011 1HB LEU 131 2HB LEU 131 6.391 9.201 -4.542 1012 2HB LEU 131 1HB LEU 131 5.634 10.541 -3.678 1013 HG LEU 131 HG LEU 131 4.011 8.575 -5.291 1014 1HD1 LEU 131 1HD1 LEU 131 4.413 8.395 -2.305 1015 2HD1 LEU 131 2HD1 LEU 131 5.458 7.517 -3.423 1016 3HD1 LEU 131 3HD1 LEU 131 3.724 7.193 -3.396 1017 1HD2 LEU 131 1HD2 LEU 131 3.407 10.496 -3.022 1018 2HD2 LEU 131 2HD2 LEU 131 2.237 9.377 -3.719 1019 3HD2 LEU 131 3HD2 LEU 131 2.912 10.672 -4.705 1020 H ASN 132 HN ASN 132 4.797 12.886 -4.754 1021 HA ASN 132 HA ASN 132 7.172 14.339 -5.755 1022 1HB ASN 132 2HB ASN 132 4.455 15.012 -5.235 1023 2HB ASN 132 1HB ASN 132 5.447 15.978 -4.148 1024 1HD2 ASN 132 1HD2 ASN 132 7.299 17.214 -5.227 1025 2HD2 ASN 132 2HD2 ASN 132 7.070 17.761 -6.818 1026 H TRP 133 HN TRP 133 8.414 12.866 -4.136 1027 HA TRP 133 HA TRP 133 8.291 13.092 -1.347 1028 1HB TRP 133 2HB TRP 133 10.808 13.004 -3.038 1029 2HB TRP 133 1HB TRP 133 10.693 12.565 -1.333 1030 HD1 TRP 133 HD1 TRP 133 10.120 11.240 -4.788 1031 HE1 TRP 133 HE1 TRP 133 9.211 8.832 -4.659 1032 HE3 TRP 133 HE3 TRP 133 9.134 10.936 0.211 1033 HZ2 TRP 133 HZ2 TRP 133 8.205 7.022 -2.697 1034 HZ3 TRP 133 HZ3 TRP 133 8.201 8.857 1.182 1035 HH2 TRP 133 HH2 TRP 133 7.735 6.900 -0.263 1036 H ASP 134 HN ASP 134 9.547 15.424 -3.666 1037 HA ASP 134 HA ASP 134 10.932 17.091 -1.791 1038 1HB ASP 134 2HB ASP 134 10.356 17.128 -4.574 1039 2HB ASP 134 1HB ASP 134 9.816 18.672 -3.914 1040 H ASP 135 HN ASP 135 7.523 16.794 -2.596 1041 HA ASP 135 HA ASP 135 6.860 19.314 -1.208 1042 1HB ASP 135 2HB ASP 135 5.468 17.404 -2.961 1043 2HB ASP 135 1HB ASP 135 4.468 18.026 -1.651 1044 H PHE 136 HN PHE 136 7.360 16.058 -0.372 1045 HA PHE 136 HA PHE 136 5.766 16.414 2.139 1046 1HB PHE 136 2HB PHE 136 6.633 13.890 0.705 1047 2HB PHE 136 1HB PHE 136 5.919 13.901 2.316 1048 HD1 PHE 136 HD1 PHE 136 5.311 14.830 -1.234 1049 HD2 PHE 136 HD2 PHE 136 3.570 14.120 2.623 1050 HE1 PHE 136 HE1 PHE 136 3.052 14.880 -2.248 1051 HE2 PHE 136 HE2 PHE 136 1.308 14.168 1.608 1052 HZ PHE 136 HZ PHE 136 1.049 14.549 -0.826 1053 H THR 137 HN THR 137 6.806 15.279 4.061 1054 HA THR 137 HA THR 137 9.779 15.244 3.868 1055 HB THR 137 HB THR 137 8.385 16.507 6.228 1056 HG1 THR 137 HG1 THR 137 8.120 18.260 5.124 1057 1HG2 THR 137 1HG2 THR 137 10.773 17.707 6.016 1058 2HG2 THR 137 2HG2 THR 137 11.162 16.196 5.195 1059 3HG2 THR 137 3HG2 THR 137 10.571 16.170 6.856 1060 H LYS 138 HN LYS 138 10.632 13.489 4.912 1061 HA LYS 138 HA LYS 138 8.858 11.518 6.047 1062 1HB LYS 138 2HB LYS 138 11.216 11.259 4.897 1063 2HB LYS 138 1HB LYS 138 11.817 11.474 6.542 1064 1HG LYS 138 2HG LYS 138 9.842 9.682 7.003 1065 2HG LYS 138 1HG LYS 138 10.294 9.214 5.364 1066 1HD LYS 138 2HD LYS 138 12.359 9.641 7.522 1067 2HD LYS 138 1HD LYS 138 11.561 8.085 7.295 1068 1HE LYS 138 2HE LYS 138 12.834 7.608 5.499 1069 2HE LYS 138 1HE LYS 138 12.488 9.170 4.761 1070 1HZ LYS 138 1HE LYS 138 14.557 8.575 6.802 1071 2HZ LYS 138 2HE LYS 138 14.154 10.143 6.286 1072 3HZ LYS 138 3HE LYS 138 14.815 9.027 5.188 1073 H VAL 139 HN VAL 139 8.031 11.569 8.057 1074 HA VAL 139 HA VAL 139 9.299 13.301 10.101 1075 HB VAL 139 HB VAL 139 7.195 12.867 11.380 1076 1HG1 VAL 139 1HG1 VAL 139 7.078 14.830 10.109 1077 2HG1 VAL 139 2HG1 VAL 139 5.674 13.931 9.533 1078 3HG1 VAL 139 3HG1 VAL 139 7.155 13.960 8.577 1079 1HG2 VAL 139 1HG2 VAL 139 5.623 11.810 9.223 1080 2HG2 VAL 139 2HG2 VAL 139 5.887 11.118 10.823 1081 3HG2 VAL 139 3HG2 VAL 139 6.986 10.725 9.501 1082 H SER 140 HN SER 140 8.836 9.922 9.343 1083 HA SER 140 HA SER 140 10.433 9.240 11.750 1084 1HB SER 140 2HB SER 140 7.806 7.903 11.036 1085 2HB SER 140 1HB SER 140 8.904 7.376 12.309 1086 HG SER 140 HG SER 140 7.065 9.372 12.308 1087 H SER 141 HN SER 141 11.848 7.570 11.372 1088 HA SER 141 HA SER 141 11.460 5.833 9.007 1089 1HB SER 141 2HB SER 141 14.201 6.600 8.968 1090 2HB SER 141 1HB SER 141 12.983 6.893 7.733 1091 HG SER 141 HG SER 141 13.460 8.498 10.031 1092 H ARG 142 HN ARG 142 12.142 3.773 9.479 1093 HA ARG 142 HA ARG 142 14.055 3.432 11.747 1094 1HB ARG 142 2HB ARG 142 11.434 2.876 12.036 1095 2HB ARG 142 1HB ARG 142 11.955 1.363 11.294 1096 1HG ARG 142 2HG ARG 142 13.574 0.974 13.026 1097 2HG ARG 142 1HG ARG 142 13.345 2.595 13.685 1098 1HD ARG 142 2HD ARG 142 11.259 2.077 14.595 1099 2HD ARG 142 1HD ARG 142 10.994 0.741 13.474 1100 HE ARG 142 HE ARG 142 13.219 0.366 15.363 1101 1HH1 ARG 142 1HH2 ARG 142 9.861 -0.138 14.617 1102 2HH1 ARG 142 2HH2 ARG 142 9.708 -1.485 15.690 1103 1HH2 ARG 142 1HH1 ARG 142 12.998 -1.380 16.758 1104 2HH2 ARG 142 2HH1 ARG 142 11.470 -2.184 16.896 1105 H THR 143 HN THR 143 15.765 2.107 11.177 1106 HA THR 143 HA THR 143 15.487 0.586 8.622 1107 HB THR 143 HB THR 143 18.096 1.291 9.969 1108 HG1 THR 143 HG1 THR 143 17.360 3.268 9.633 1109 1HG2 THR 143 1HG2 THR 143 17.283 -0.079 7.572 1110 2HG2 THR 143 2HG2 THR 143 18.910 0.162 8.205 1111 3HG2 THR 143 3HG2 THR 143 18.192 1.368 7.138 1112 H VAL 144 HN VAL 144 15.667 -1.618 8.720 1113 HA VAL 144 HA VAL 144 16.704 -2.785 11.267 1114 HB VAL 144 HB VAL 144 14.268 -2.948 11.272 1115 1HG1 VAL 144 1HG1 VAL 144 14.728 -3.651 8.453 1116 2HG1 VAL 144 2HG1 VAL 144 13.309 -2.944 9.221 1117 3HG1 VAL 144 3HG1 VAL 144 13.556 -4.690 9.263 1118 1HG2 VAL 144 1HG2 VAL 144 14.683 -4.928 12.273 1119 2HG2 VAL 144 2HG2 VAL 144 16.049 -5.249 11.208 1120 3HG2 VAL 144 3HG2 VAL 144 14.418 -5.696 10.709 1121 H GLU 145 HN GLU 145 18.249 -4.303 10.971 1122 HA GLU 145 HA GLU 145 18.981 -5.044 8.215 1123 1HB GLU 145 2HB GLU 145 20.962 -6.092 9.302 1124 2HB GLU 145 1HB GLU 145 20.775 -4.398 9.753 1125 1HG GLU 145 HG2 GLU 145 19.268 -5.713 11.672 1126 2HG GLU 145 HG1 GLU 145 20.634 -6.800 11.431 1127 H ASP 146 HN ASP 146 19.381 -7.351 7.681 1128 HA ASP 146 HA ASP 146 17.808 -9.265 9.327 1129 1HB ASP 146 2HB ASP 146 16.765 -8.111 7.028 1130 2HB ASP 146 1HB ASP 146 17.400 -9.652 6.452 1131 H THR 147 HN THR 147 18.321 -11.520 8.830 1132 HA THR 147 HA THR 147 21.089 -12.039 8.480 1133 HB THR 147 HB THR 147 20.214 -14.444 8.033 1134 HG1 THR 147 HG1 THR 147 18.174 -14.400 7.548 1135 1HG2 THR 147 1HG2 THR 147 19.547 -12.856 10.522 1136 2HG2 THR 147 2HG2 THR 147 20.997 -13.813 10.218 1137 3HG2 THR 147 3HG2 THR 147 19.442 -14.615 10.438 1138 H ASN 148 HN ASN 148 18.707 -11.337 6.145 1139 HA ASN 148 HA ASN 148 20.408 -12.515 3.987 1140 1HB ASN 148 2HB ASN 148 17.779 -12.969 4.310 1141 2HB ASN 148 1HB ASN 148 17.694 -11.499 3.340 1142 1HD2 ASN 148 1HD2 ASN 148 18.067 -11.704 1.107 1143 2HD2 ASN 148 2HD2 ASN 148 18.637 -13.119 0.362 1144 HA PRO 149 HA PRO 149 21.955 -8.401 3.216 1145 1HB PRO 149 2HB PRO 149 22.344 -9.199 0.449 1146 2HB PRO 149 1HB PRO 149 23.557 -8.862 1.689 1147 1HG PRO 149 2HG PRO 149 22.706 -11.404 0.683 1148 2HG PRO 149 1HG PRO 149 23.950 -11.061 1.893 1149 1HD PRO 149 2HD PRO 149 21.470 -12.290 2.364 1150 2HD PRO 149 1HD PRO 149 22.582 -11.663 3.591 1151 H ALA 150 HN ALA 150 19.848 -9.953 0.774 1152 HA ALA 150 HA ALA 150 18.940 -7.366 -0.228 1153 1HB ALA 150 1HB ALA 150 18.174 -10.227 -0.793 1154 2HB ALA 150 2HB ALA 150 18.977 -9.074 -1.859 1155 3HB ALA 150 3HB ALA 150 17.266 -8.880 -1.478 1156 H LEU 151 HN LEU 151 17.644 -9.829 1.990 1157 HA LEU 151 HA LEU 151 15.011 -8.672 2.125 1158 1HB LEU 151 2HB LEU 151 16.447 -10.394 4.162 1159 2HB LEU 151 1HB LEU 151 14.718 -10.073 4.129 1160 HG LEU 151 HG LEU 151 16.286 -11.452 1.926 1161 1HD1 LEU 151 1HD1 LEU 151 14.157 -12.649 3.698 1162 2HD1 LEU 151 2HD1 LEU 151 15.861 -12.683 4.152 1163 3HD1 LEU 151 3HD1 LEU 151 15.325 -13.484 2.674 1164 1HD2 LEU 151 1HD2 LEU 151 14.086 -10.024 1.466 1165 2HD2 LEU 151 2HD2 LEU 151 13.296 -11.448 2.137 1166 3HD2 LEU 151 3HD2 LEU 151 14.313 -11.597 0.706 1167 H THR 152 HN THR 152 17.892 -7.335 3.116 1168 HA THR 152 HA THR 152 17.035 -6.182 5.652 1169 HB THR 152 HB THR 152 19.169 -5.163 3.746 1170 HG1 THR 152 HG1 THR 152 19.598 -7.297 4.247 1171 1HG2 THR 152 1HG2 THR 152 19.306 -3.539 5.305 1172 2HG2 THR 152 2HG2 THR 152 19.953 -4.773 6.387 1173 3HG2 THR 152 3HG2 THR 152 18.229 -4.401 6.403 1174 H HIS 153 HN HIS 153 16.299 -3.921 5.910 1175 HA HIS 153 HA HIS 153 15.866 -2.261 3.585 1176 1HB HIS 153 2HB HIS 153 13.363 -2.418 3.570 1177 2HB HIS 153 1HB HIS 153 14.175 -3.879 3.016 1178 HD1 HIS 153 HD1 HIS 153 14.498 -5.786 4.957 1179 HD2 HIS 153 HD2 HIS 153 11.602 -2.871 5.661 1180 HE1 HIS 153 HE1 HIS 153 12.987 -6.702 6.771 1181 H THR 154 HN THR 154 14.201 -0.473 4.122 1182 HA THR 154 HA THR 154 14.272 0.187 7.033 1183 HB THR 154 HB THR 154 14.817 2.165 4.800 1184 HG1 THR 154 HG1 THR 154 16.594 0.953 4.795 1185 1HG2 THR 154 1HG2 THR 154 15.681 3.525 6.717 1186 2HG2 THR 154 2HG2 THR 154 15.088 2.277 7.811 1187 3HG2 THR 154 3HG2 THR 154 13.953 3.190 6.820 1188 H TYR 155 HN TYR 155 12.546 1.679 7.665 1189 HA TYR 155 HA TYR 155 10.253 1.645 5.743 1190 1HB TYR 155 2HB TYR 155 10.201 1.951 8.763 1191 2HB TYR 155 1HB TYR 155 8.798 1.812 7.705 1192 HD1 TYR 155 HD1 TYR 155 8.498 -0.322 6.344 1193 HD2 TYR 155 HD2 TYR 155 11.333 0.026 9.551 1194 HE1 TYR 155 HE1 TYR 155 8.616 -2.794 6.508 1195 HE2 TYR 155 HE2 TYR 155 11.453 -2.445 9.715 1196 HH TYR 155 HH TYR 155 11.017 -4.398 8.400 1197 H GLU 156 HN GLU 156 9.658 3.637 4.938 1198 HA GLU 156 HA GLU 156 10.637 6.037 6.429 1199 1HB GLU 156 2HB GLU 156 10.154 5.648 3.461 1200 2HB GLU 156 1HB GLU 156 10.623 7.172 4.214 1201 1HG GLU 156 HG2 GLU 156 12.724 6.410 3.690 1202 2HG GLU 156 HG1 GLU 156 12.541 5.602 5.246 1203 H VAL 157 HN VAL 157 9.039 7.244 7.315 1204 HA VAL 157 HA VAL 157 6.293 7.067 6.132 1205 HB VAL 157 HB VAL 157 7.064 7.866 8.955 1206 1HG1 VAL 157 1HG1 VAL 157 4.450 6.894 8.880 1207 2HG1 VAL 157 2HG1 VAL 157 4.586 7.863 7.412 1208 3HG1 VAL 157 3HG1 VAL 157 4.926 8.589 8.983 1209 1HG2 VAL 157 1HG2 VAL 157 6.273 5.204 7.761 1210 2HG2 VAL 157 2HG2 VAL 157 6.048 5.558 9.474 1211 3HG2 VAL 157 3HG2 VAL 157 7.667 5.573 8.775 1212 H TRP 158 HN TRP 158 5.565 8.960 5.195 1213 HA TRP 158 HA TRP 158 6.989 11.478 5.964 1214 1HB TRP 158 2HB TRP 158 5.678 10.771 3.329 1215 2HB TRP 158 1HB TRP 158 6.460 12.304 3.699 1216 HD1 TRP 158 HD1 TRP 158 7.447 8.559 3.927 1217 HE1 TRP 158 HE1 TRP 158 9.881 8.336 3.111 1218 HE3 TRP 158 HE3 TRP 158 8.490 13.444 2.895 1219 HZ2 TRP 158 HZ2 TRP 158 11.996 10.006 2.157 1220 HZ3 TRP 158 HZ3 TRP 158 10.718 14.104 2.037 1221 HH2 TRP 158 HH2 TRP 158 12.472 12.391 1.667 1222 H GLN 159 HN GLN 159 5.684 13.469 5.671 1223 HA GLN 159 HA GLN 159 2.751 13.089 6.003 1224 1HB GLN 159 2HB GLN 159 4.634 14.519 7.890 1225 2HB GLN 159 1HB GLN 159 2.928 14.956 7.796 1226 1HG GLN 159 2HG GLN 159 3.460 12.054 8.014 1227 2HG GLN 159 1HG GLN 159 3.907 13.003 9.432 1228 1HE2 GLN 159 1HE2 GLN 159 2.180 12.709 10.875 1229 2HE2 GLN 159 2HE2 GLN 159 0.548 12.950 10.478 1230 H LYS 160 HN LYS 160 1.559 14.892 5.076 1231 HA LYS 160 HA LYS 160 3.126 16.507 3.221 1232 1HB LYS 160 2HB LYS 160 0.776 15.469 2.865 1233 2HB LYS 160 1HB LYS 160 0.189 16.845 3.796 1234 1HG LYS 160 2HG LYS 160 1.457 18.343 2.193 1235 2HG LYS 160 1HG LYS 160 1.735 16.914 1.195 1236 1HD LYS 160 2HD LYS 160 -0.841 16.582 1.354 1237 2HD LYS 160 1HD LYS 160 -0.871 18.276 1.847 1238 1HE LYS 160 2HE LYS 160 0.766 18.442 -0.310 1239 2HE LYS 160 1HE LYS 160 -0.253 17.089 -0.799 1240 1HZ LYS 160 1HE LYS 160 -1.104 19.331 -1.429 1241 2HZ LYS 160 2HE LYS 160 -1.329 19.655 0.224 1242 3HZ LYS 160 3HE LYS 160 -2.191 18.395 -0.523 1243 H LYS 161 HN LYS 161 3.757 18.587 3.520 1244 HA LYS 161 HA LYS 161 3.225 19.888 6.093 1245 1HB LYS 161 2HB LYS 161 4.682 21.005 3.679 1246 2HB LYS 161 1HB LYS 161 4.793 21.575 5.344 1247 1HG LYS 161 2HG LYS 161 5.489 18.726 4.655 1248 2HG LYS 161 1HG LYS 161 6.674 20.015 4.448 1249 1HD LYS 161 2HD LYS 161 7.167 19.688 6.633 1250 2HD LYS 161 1HD LYS 161 5.656 20.535 6.966 1251 1HE LYS 161 2HE LYS 161 4.606 18.132 6.579 1252 2HE LYS 161 1HE LYS 161 6.230 17.595 7.006 1253 1HZ LYS 161 1HE LYS 161 4.260 19.037 8.633 1254 2HZ LYS 161 2HE LYS 161 5.912 19.291 8.938 1255 3HZ LYS 161 3HE LYS 161 5.255 17.729 9.053 1256 H ALA 162 HN ALA 162 2.362 22.125 6.177 1257 HA ALA 162 HA ALA 162 0.410 22.655 3.967 1258 1HB ALA 162 1HB ALA 162 -1.240 23.298 5.540 1259 2HB ALA 162 2HB ALA 162 -0.065 23.416 6.850 1260 3HB ALA 162 3HB ALA 162 -0.535 21.834 6.226 1261 AH51 NDP 168 AH51 NDP 168 -5.849 -0.725 -9.534 1262 AH52 NDP 168 AH52 NDP 168 -6.064 -1.976 -8.302 1263 AH4* NDP 168 AH4* NDP 168 -7.602 -3.194 -9.897 1264 AH3* NDP 168 AH3* NDP 168 -7.143 -0.765 -11.637 1265 AHO3 NDP 168 AHO3 NDP 168 -6.163 -2.772 -12.215 1266 AH2* NDP 168 AH2* NDP 168 -9.436 -0.923 -12.297 1267 AH1* NDP 168 AH1* NDP 168 -10.440 -1.362 -9.759 1268 AH8 NDP 168 AH8 NDP 168 -7.461 1.033 -10.271 1269 AH61 NDP 168 AH61 NDP 168 -11.771 5.482 -9.931 1270 AH62 NDP 168 AH62 NDP 168 -10.058 5.145 -9.889 1271 AH2 NDP 168 AH2 NDP 168 -13.861 1.516 -9.813 1272 NH51 NDP 168 NH51 NDP 168 -1.435 -4.978 -9.756 1273 NH52 NDP 168 NH52 NDP 168 -1.341 -4.020 -8.273 1274 NH4* NDP 168 NH4* NDP 168 0.969 -5.485 -9.639 1275 NH3* NDP 168 NH3* NDP 168 -0.554 -6.137 -7.103 1276 NHO3 NDP 168 NHO3 NDP 168 -1.003 -7.329 -9.044 1277 NH2* NDP 168 NH2* NDP 168 1.508 -7.037 -6.250 1278 NHO2 NDP 168 NHO2 NDP 168 2.720 -8.059 -7.621 1279 NH1* NDP 168 NH1* NDP 168 3.099 -4.952 -7.160 1280 NH2 NDP 168 NH2 NDP 168 3.541 -3.627 -5.220 1281 NH71 NDP 168 NH71 NDP 168 4.909 -3.029 -4.401 1282 NH72 NDP 168 NH72 NDP 168 5.259 -1.936 -3.083 1283 NH41 NDP 168 NH41 NDP 168 0.335 -2.472 -3.173 1284 NH42 NDP 168 NH42 NDP 168 0.846 -3.956 -2.301 1285 NH5 NDP 168 NH5 NDP 168 -1.144 -4.394 -3.719 1286 NH6 NDP 168 NH6 NDP 168 -0.362 -5.468 -5.888 1287 H1 TRR 170 H1 TRR 170 4.813 -5.113 1.880 1288 1H2 TRR 170 1H2 TRR 170 4.699 -1.679 2.790 1289 2H2 TRR 170 2H2 TRR 170 5.610 -3.121 2.911 1290 1H4 TRR 170 1H4 TRR 170 -0.012 -3.094 -0.357 1291 2H4 TRR 170 2H4 TRR 170 0.553 -1.667 0.379 1292 H6 TRR 170 H6 TRR 170 3.215 -6.381 0.588 1293 1H7 TRR 170 1H7 TRR 170 1.080 -5.157 -1.519 1294 2H7 TRR 170 2H7 TRR 170 -0.069 -5.012 -0.190 1295 H12 TRR 170 H12 TRR 170 1.480 -7.260 -2.324 1296 H16 TRR 170 H16 TRR 170 0.401 -6.754 1.825 1297 1H17 TRR 170 1H17 TRR 170 2.735 -8.695 -3.439 1298 2H17 TRR 170 2H17 TRR 170 1.035 -8.781 -3.872 1299 3H17 TRR 170 3H17 TRR 170 2.103 -10.129 -4.233 1300 1H18 TRR 170 1H18 TRR 170 2.375 -12.472 -0.230 1301 2H18 TRR 170 2H18 TRR 170 2.338 -12.004 1.464 1302 3H18 TRR 170 3H18 TRR 170 3.066 -10.936 0.272 1303 1H19 TRR 170 1H19 TRR 170 0.075 -9.085 4.423 1304 2H19 TRR 170 2H19 TRR 170 -0.875 -8.052 3.371 1305 3H19 TRR 170 3H19 TRR 170 0.838 -7.741 3.587 Start of MODEL 2 1 1H THR 1 1H THR 1 -4.913 10.457 4.290 2 2H THR 1 2H THR 1 -6.147 9.372 4.720 3 3H THR 1 3H THR 1 -6.425 10.551 3.529 4 HA THR 1 HA THR 1 -5.732 7.998 3.032 5 HB THR 1 HB THR 1 -4.837 10.166 1.165 6 HG1 THR 1 HG1 THR 1 -6.667 11.113 1.633 7 1HG2 THR 1 1HG2 THR 1 -5.018 8.471 -0.301 8 2HG2 THR 1 2HG2 THR 1 -6.720 8.275 0.118 9 3HG2 THR 1 3HG2 THR 1 -5.483 7.395 1.016 10 H ALA 2 HN ALA 2 -3.906 6.810 3.246 11 HA ALA 2 HA ALA 2 -1.283 8.228 3.031 12 1HB ALA 2 1HB ALA 2 -2.258 6.278 5.104 13 2HB ALA 2 2HB ALA 2 -1.364 7.780 5.329 14 3HB ALA 2 3HB ALA 2 -0.540 6.348 4.710 15 H PHE 3 HN PHE 3 0.434 6.924 2.128 16 HA PHE 3 HA PHE 3 -0.588 4.637 0.501 17 1HB PHE 3 2HB PHE 3 1.660 6.607 0.171 18 2HB PHE 3 1HB PHE 3 1.774 5.032 -0.607 19 HD1 PHE 3 HD1 PHE 3 -1.371 6.946 -0.024 20 HD2 PHE 3 HD2 PHE 3 1.566 5.678 -2.884 21 HE1 PHE 3 HE1 PHE 3 -2.817 7.747 -1.866 22 HE2 PHE 3 HE2 PHE 3 0.117 6.479 -4.726 23 HZ PHE 3 HZ PHE 3 -2.074 7.512 -4.218 24 H LEU 4 HN LEU 4 0.242 2.573 0.897 25 HA LEU 4 HA LEU 4 2.639 2.411 2.668 26 1HB LEU 4 2HB LEU 4 0.731 2.029 4.113 27 2HB LEU 4 1HB LEU 4 0.027 0.897 2.960 28 HG LEU 4 HG LEU 4 1.892 -0.649 3.290 29 1HD1 LEU 4 1HD1 LEU 4 2.926 1.559 5.086 30 2HD1 LEU 4 2HD1 LEU 4 3.735 0.824 3.702 31 3HD1 LEU 4 3HD1 LEU 4 3.515 -0.100 5.188 32 1HD2 LEU 4 1HD2 LEU 4 0.082 -0.999 4.810 33 2HD2 LEU 4 2HD2 LEU 4 0.546 0.389 5.793 34 3HD2 LEU 4 3HD2 LEU 4 1.544 -1.065 5.793 35 H TRP 5 HN TRP 5 3.863 1.878 0.756 36 HA TRP 5 HA TRP 5 3.341 -0.900 -0.199 37 1HB TRP 5 2HB TRP 5 3.676 -0.316 -2.465 38 2HB TRP 5 1HB TRP 5 2.647 0.970 -1.844 39 HD1 TRP 5 HD1 TRP 5 6.003 0.315 -3.364 40 HE1 TRP 5 HE1 TRP 5 7.304 2.526 -3.610 41 HE3 TRP 5 HE3 TRP 5 3.011 3.411 -0.615 42 HZ2 TRP 5 HZ2 TRP 5 7.103 5.248 -2.758 43 HZ3 TRP 5 HZ3 TRP 5 3.590 5.807 -0.352 44 HH2 TRP 5 HH2 TRP 5 5.629 6.728 -1.419 45 H ALA 6 HN ALA 6 5.180 -2.169 -0.404 46 HA ALA 6 HA ALA 6 7.710 -0.948 0.564 47 1HB ALA 6 1HB ALA 6 8.436 -3.386 0.682 48 2HB ALA 6 2HB ALA 6 6.781 -3.815 0.252 49 3HB ALA 6 3HB ALA 6 7.105 -2.948 1.753 50 H GLN 7 HN GLN 7 9.402 -0.631 -0.824 51 HA GLN 7 HA GLN 7 9.291 -2.003 -3.475 52 1HB GLN 7 2HB GLN 7 9.957 0.069 -4.592 53 2HB GLN 7 1HB GLN 7 8.460 0.326 -3.699 54 1HG GLN 7 2HG GLN 7 9.680 1.366 -1.862 55 2HG GLN 7 1HG GLN 7 11.220 1.015 -2.648 56 1HE2 GLN 7 1HE2 GLN 7 12.046 2.751 -3.809 57 2HE2 GLN 7 2HE2 GLN 7 11.119 3.986 -4.514 58 H ASP 8 HN ASP 8 11.392 -2.121 -4.573 59 HA ASP 8 HA ASP 8 13.549 -2.562 -2.623 60 1HB ASP 8 2HB ASP 8 14.722 -3.663 -4.412 61 2HB ASP 8 1HB ASP 8 13.036 -4.167 -4.513 62 H ARG 9 HN ARG 9 15.819 -1.972 -4.097 63 HA ARG 9 HA ARG 9 16.195 0.787 -3.573 64 1HB ARG 9 2HB ARG 9 18.274 0.542 -4.962 65 2HB ARG 9 1HB ARG 9 18.103 -0.691 -3.714 66 1HG ARG 9 2HG ARG 9 18.550 -2.106 -5.456 67 2HG ARG 9 1HG ARG 9 16.822 -1.930 -5.753 68 1HD ARG 9 2HD ARG 9 17.218 -0.935 -7.730 69 2HD ARG 9 1HD ARG 9 18.239 0.277 -6.959 70 HE ARG 9 HE ARG 9 19.163 -2.155 -8.316 71 1HH1 ARG 9 1HH1 ARG 9 19.873 0.387 -6.053 72 2HH1 ARG 9 2HH1 ARG 9 21.585 0.223 -6.234 73 1HH2 ARG 9 1HH2 ARG 9 21.388 -2.352 -8.536 74 2HH2 ARG 9 2HH2 ARG 9 22.439 -1.317 -7.628 75 H ASP 10 HN ASP 10 15.496 -0.856 -6.680 76 HA ASP 10 HA ASP 10 15.556 1.598 -8.206 77 1HB ASP 10 2HB ASP 10 14.847 -1.238 -8.685 78 2HB ASP 10 1HB ASP 10 14.023 -0.068 -9.716 79 H GLY 11 HN GLY 11 13.112 -0.035 -6.315 80 1HA GLY 11 2HA GLY 11 11.201 1.256 -5.490 81 2HA GLY 11 1HA GLY 11 11.239 2.188 -6.986 82 H LEU 12 HN LEU 12 11.384 -1.351 -6.636 83 HA LEU 12 HA LEU 12 9.209 -1.632 -8.596 84 1HB LEU 12 2HB LEU 12 11.327 -3.134 -8.324 85 2HB LEU 12 1HB LEU 12 10.427 -3.889 -7.009 86 HG LEU 12 HG LEU 12 8.513 -4.188 -8.664 87 1HD1 LEU 12 1HD1 LEU 12 10.047 -2.529 -10.240 88 2HD1 LEU 12 2HD1 LEU 12 8.736 -3.550 -10.827 89 3HD1 LEU 12 3HD1 LEU 12 10.402 -4.119 -10.917 90 1HD2 LEU 12 1HD2 LEU 12 9.326 -6.278 -9.263 91 2HD2 LEU 12 2HD2 LEU 12 10.456 -5.856 -7.975 92 3HD2 LEU 12 3HD2 LEU 12 10.926 -5.653 -9.662 93 H ILE 13 HN ILE 13 7.247 -3.006 -8.030 94 HA ILE 13 HA ILE 13 6.625 -2.886 -5.118 95 HB ILE 13 HB ILE 13 4.229 -2.326 -5.850 96 1HG1 ILE 13 2HG1 ILE 13 5.381 -0.977 -8.231 97 2HG1 ILE 13 1HG1 ILE 13 5.174 -2.724 -8.366 98 1HG2 ILE 13 1HG2 ILE 13 5.993 -0.032 -6.540 99 2HG2 ILE 13 2HG2 ILE 13 6.249 -0.791 -4.968 100 3HG2 ILE 13 3HG2 ILE 13 4.668 -0.127 -5.379 101 1HD1 ILE 13 1HD1 ILE 13 2.797 -2.212 -7.329 102 2HD1 ILE 13 2HD1 ILE 13 3.078 -1.988 -9.056 103 3HD1 ILE 13 3HD1 ILE 13 3.097 -0.597 -7.972 104 H GLY 14 HN GLY 14 6.584 -4.717 -8.042 105 1HA GLY 14 2HA GLY 14 6.141 -7.188 -7.051 106 2HA GLY 14 1HA GLY 14 4.498 -6.559 -7.034 107 H LYS 15 HN LYS 15 5.927 -8.708 -8.669 108 HA LYS 15 HA LYS 15 5.012 -7.720 -11.341 109 1HB LYS 15 2HB LYS 15 7.522 -7.944 -11.150 110 2HB LYS 15 1HB LYS 15 7.286 -9.668 -10.865 111 1HG LYS 15 2HG LYS 15 5.744 -8.928 -13.163 112 2HG LYS 15 1HG LYS 15 7.377 -8.297 -13.369 113 1HD LYS 15 2HD LYS 15 7.126 -11.081 -12.336 114 2HD LYS 15 1HD LYS 15 6.730 -10.816 -14.035 115 1HE LYS 15 2HE LYS 15 8.999 -11.134 -14.259 116 2HE LYS 15 1HE LYS 15 9.005 -9.401 -13.933 117 1HZ LYS 15 1HE LYS 15 10.533 -10.245 -12.433 118 2HZ LYS 15 2HE LYS 15 9.606 -11.628 -12.095 119 3HZ LYS 15 3HE LYS 15 9.127 -10.113 -11.494 120 H ASP 16 HN ASP 16 3.542 -9.048 -12.330 121 HA ASP 16 HA ASP 16 2.143 -10.881 -12.708 122 1HB ASP 16 2HB ASP 16 4.496 -12.271 -11.419 123 2HB ASP 16 1HB ASP 16 3.053 -13.152 -11.915 124 H GLY 17 HN GLY 17 2.176 -9.265 -10.153 125 1HA GLY 17 2HA GLY 17 0.461 -9.230 -8.470 126 2HA GLY 17 1HA GLY 17 0.205 -10.952 -8.734 127 H HIS 18 HN HIS 18 2.250 -12.320 -8.081 128 HA HIS 18 HA HIS 18 2.692 -11.868 -5.275 129 1HB HIS 18 2HB HIS 18 4.367 -13.741 -5.509 130 2HB HIS 18 1HB HIS 18 2.757 -14.131 -6.112 131 HD1 HIS 18 HD1 HIS 18 6.098 -12.869 -7.452 132 HD2 HIS 18 HD2 HIS 18 2.746 -14.983 -8.745 133 HE1 HIS 18 HE1 HIS 18 6.604 -13.642 -9.810 134 H LEU 19 HN LEU 19 4.351 -10.838 -4.232 135 HA LEU 19 HA LEU 19 5.904 -8.867 -5.465 136 1HB LEU 19 2HB LEU 19 6.379 -10.440 -2.927 137 2HB LEU 19 1HB LEU 19 7.423 -9.104 -3.418 138 HG LEU 19 HG LEU 19 4.448 -8.707 -3.363 139 1HD1 LEU 19 1HD1 LEU 19 4.739 -7.870 -0.997 140 2HD1 LEU 19 2HD1 LEU 19 6.327 -8.639 -0.986 141 3HD1 LEU 19 3HD1 LEU 19 4.872 -9.621 -1.169 142 1HD2 LEU 19 1HD2 LEU 19 4.994 -6.489 -3.488 143 2HD2 LEU 19 2HD2 LEU 19 6.510 -7.116 -4.134 144 3HD2 LEU 19 3HD2 LEU 19 6.395 -6.670 -2.432 145 HA PRO 20 HA PRO 20 9.306 -10.948 -7.399 146 1HB PRO 20 2HB PRO 20 11.156 -8.863 -7.160 147 2HB PRO 20 1HB PRO 20 9.936 -9.026 -8.431 148 1HG PRO 20 2HG PRO 20 10.062 -7.055 -6.376 149 2HG PRO 20 1HG PRO 20 8.809 -7.261 -7.609 150 1HD PRO 20 2HD PRO 20 8.776 -8.047 -4.769 151 2HD PRO 20 1HD PRO 20 7.424 -7.796 -5.885 152 H TRP 21 HN TRP 21 9.838 -9.592 -4.186 153 HA TRP 21 HA TRP 21 12.218 -11.374 -3.890 154 1HB TRP 21 2HB TRP 21 12.820 -9.844 -1.984 155 2HB TRP 21 1HB TRP 21 12.790 -9.036 -3.550 156 HD1 TRP 21 HD1 TRP 21 10.598 -9.498 -0.411 157 HE1 TRP 21 HE1 TRP 21 9.004 -7.480 -0.238 158 HE3 TRP 21 HE3 TRP 21 11.739 -7.096 -4.772 159 HZ2 TRP 21 HZ2 TRP 21 8.306 -5.152 -1.749 160 HZ3 TRP 21 HZ3 TRP 21 10.597 -4.983 -5.379 161 HH2 TRP 21 HH2 TRP 21 8.883 -4.008 -3.875 162 H HIS 22 HN HIS 22 12.238 -11.251 -1.042 163 HA HIS 22 HA HIS 22 9.636 -12.360 -0.172 164 1HB HIS 22 2HB HIS 22 11.234 -14.211 -1.080 165 2HB HIS 22 1HB HIS 22 12.148 -13.925 0.402 166 HD1 HIS 22 HD1 HIS 22 8.458 -14.432 -0.478 167 HD2 HIS 22 HD2 HIS 22 11.232 -15.547 2.427 168 HE1 HIS 22 HE1 HIS 22 7.227 -15.934 1.149 169 H LEU 23 HN LEU 23 9.514 -10.549 1.229 170 HA LEU 23 HA LEU 23 11.562 -10.522 3.410 171 1HB LEU 23 2HB LEU 23 11.318 -8.488 1.760 172 2HB LEU 23 1HB LEU 23 9.898 -8.115 2.736 173 HG LEU 23 HG LEU 23 11.414 -8.344 4.781 174 1HD1 LEU 23 1HD1 LEU 23 13.870 -7.745 3.973 175 2HD1 LEU 23 2HD1 LEU 23 13.365 -8.619 2.530 176 3HD1 LEU 23 3HD1 LEU 23 13.346 -9.423 4.100 177 1HD2 LEU 23 1HD2 LEU 23 12.708 -6.091 3.684 178 2HD2 LEU 23 2HD2 LEU 23 11.215 -6.099 4.620 179 3HD2 LEU 23 3HD2 LEU 23 11.151 -6.181 2.860 180 HA PRO 24 HA PRO 24 7.737 -11.758 5.572 181 1HB PRO 24 2HB PRO 24 9.334 -12.561 7.791 182 2HB PRO 24 1HB PRO 24 8.548 -13.600 6.597 183 1HG PRO 24 2HG PRO 24 11.329 -13.116 6.920 184 2HG PRO 24 1HG PRO 24 10.533 -14.094 5.680 185 1HD PRO 24 2HD PRO 24 11.747 -11.471 5.423 186 2HD PRO 24 1HD PRO 24 11.143 -12.546 4.154 187 H ASP 25 HN ASP 25 10.517 -9.956 6.840 188 HA ASP 25 HA ASP 25 9.155 -8.837 9.114 189 1HB ASP 25 2HB ASP 25 11.732 -8.869 8.369 190 2HB ASP 25 1HB ASP 25 11.301 -7.273 7.752 191 H ASP 26 HN ASP 26 9.223 -8.033 5.711 192 HA ASP 26 HA ASP 26 8.179 -5.338 6.039 193 1HB ASP 26 2HB ASP 26 9.358 -5.794 4.004 194 2HB ASP 26 1HB ASP 26 8.377 -7.220 3.674 195 H LEU 27 HN LEU 27 6.729 -8.481 5.097 196 HA LEU 27 HA LEU 27 4.078 -7.678 4.723 197 1HB LEU 27 2HB LEU 27 5.035 -10.200 6.115 198 2HB LEU 27 1HB LEU 27 3.439 -9.963 5.404 199 HG LEU 27 HG LEU 27 6.033 -9.757 3.849 200 1HD1 LEU 27 1HD1 LEU 27 5.981 -11.988 3.481 201 2HD1 LEU 27 2HD1 LEU 27 4.236 -11.984 3.228 202 3HD1 LEU 27 3HD1 LEU 27 4.889 -12.076 4.863 203 1HD2 LEU 27 1HD2 LEU 27 3.982 -10.301 2.097 204 2HD2 LEU 27 2HD2 LEU 27 4.614 -8.688 2.427 205 3HD2 LEU 27 3HD2 LEU 27 3.182 -9.264 3.278 206 H HIS 28 HN HIS 28 5.625 -8.609 7.813 207 HA HIS 28 HA HIS 28 3.364 -8.177 9.478 208 1HB HIS 28 2HB HIS 28 6.305 -7.776 10.112 209 2HB HIS 28 1HB HIS 28 5.016 -7.899 11.310 210 HD1 HIS 28 HD1 HIS 28 3.379 -10.219 10.360 211 HD2 HIS 28 HD2 HIS 28 7.543 -10.246 10.153 212 HE1 HIS 28 HE1 HIS 28 4.075 -12.651 10.249 213 H TYR 29 HN TYR 29 5.806 -5.941 8.230 214 HA TYR 29 HA TYR 29 5.015 -3.653 9.771 215 1HB TYR 29 2HB TYR 29 7.129 -3.916 8.354 216 2HB TYR 29 1HB TYR 29 6.114 -3.580 6.951 217 HD1 TYR 29 HD1 TYR 29 6.912 -2.212 10.351 218 HD2 TYR 29 HD2 TYR 29 5.767 -1.363 6.298 219 HE1 TYR 29 HE1 TYR 29 7.073 0.219 10.814 220 HE2 TYR 29 HE2 TYR 29 5.928 1.067 6.762 221 HH TYR 29 HH TYR 29 7.357 2.297 9.648 222 H PHE 30 HN PHE 30 3.839 -5.084 6.785 223 HA PHE 30 HA PHE 30 2.148 -2.910 5.971 224 1HB PHE 30 2HB PHE 30 2.814 -4.825 4.502 225 2HB PHE 30 1HB PHE 30 1.756 -5.871 5.449 226 HD1 PHE 30 HD1 PHE 30 1.543 -2.460 3.883 227 HD2 PHE 30 HD2 PHE 30 -0.319 -6.274 4.504 228 HE1 PHE 30 HE1 PHE 30 -0.399 -1.733 2.522 229 HE2 PHE 30 HE2 PHE 30 -2.260 -5.554 3.141 230 HZ PHE 30 HZ PHE 30 -2.300 -3.283 2.151 231 H ARG 31 HN ARG 31 1.478 -5.871 7.857 232 HA ARG 31 HA ARG 31 -1.291 -5.310 8.310 233 1HB ARG 31 2HB ARG 31 -0.215 -7.531 8.684 234 2HB ARG 31 1HB ARG 31 0.629 -6.858 10.078 235 1HG ARG 31 2HG ARG 31 -1.533 -6.336 11.143 236 2HG ARG 31 1HG ARG 31 -2.383 -7.000 9.748 237 1HD ARG 31 2HD ARG 31 -2.264 -9.041 10.684 238 2HD ARG 31 1HD ARG 31 -0.507 -8.967 10.570 239 HE ARG 31 HE ARG 31 -1.007 -7.526 12.849 240 1HH1 ARG 31 1HH2 ARG 31 -2.038 -10.637 11.692 241 2HH1 ARG 31 2HH2 ARG 31 -2.196 -11.302 13.281 242 1HH2 ARG 31 1HH1 ARG 31 -1.210 -8.408 14.905 243 2HH2 ARG 31 2HH1 ARG 31 -1.730 -10.050 15.090 244 H ALA 32 HN ALA 32 1.419 -5.010 10.623 245 HA ALA 32 HA ALA 32 0.121 -3.623 12.657 246 1HB ALA 32 1HB ALA 32 2.209 -3.221 13.512 247 2HB ALA 32 2HB ALA 32 2.841 -2.635 11.973 248 3HB ALA 32 3HB ALA 32 2.680 -4.368 12.258 249 H GLN 33 HN GLN 33 1.413 -2.265 9.633 250 HA GLN 33 HA GLN 33 0.915 0.480 10.411 251 1HB GLN 33 2HB GLN 33 1.508 -0.882 7.784 252 2HB GLN 33 1HB GLN 33 1.177 0.848 7.877 253 1HG GLN 33 2HG GLN 33 3.103 -0.037 9.900 254 2HG GLN 33 1HG GLN 33 3.658 -0.345 8.254 255 1HE2 GLN 33 1HE2 GLN 33 2.186 2.302 10.219 256 2HE2 GLN 33 2HE2 GLN 33 3.000 3.552 9.408 257 H THR 34 HN THR 34 -1.124 -2.038 9.203 258 HA THR 34 HA THR 34 -3.215 0.022 8.588 259 HB THR 34 HB THR 34 -4.245 -1.759 7.120 260 HG1 THR 34 HG1 THR 34 -2.395 -3.235 8.266 261 1HG2 THR 34 1HG2 THR 34 -1.684 -0.338 6.657 262 2HG2 THR 34 2HG2 THR 34 -3.206 -0.238 5.772 263 3HG2 THR 34 3HG2 THR 34 -2.104 -1.584 5.483 264 H VAL 35 HN VAL 35 -2.642 -1.288 11.227 265 HA VAL 35 HA VAL 35 -4.881 -3.153 11.588 266 HB VAL 35 HB VAL 35 -4.234 -3.013 14.023 267 1HG1 VAL 35 1HG1 VAL 35 -2.315 -4.381 13.745 268 2HG1 VAL 35 2HG1 VAL 35 -1.833 -3.545 12.269 269 3HG1 VAL 35 3HG1 VAL 35 -3.242 -4.606 12.262 270 1HG2 VAL 35 1HG2 VAL 35 -1.855 -1.439 13.032 271 2HG2 VAL 35 2HG2 VAL 35 -2.326 -1.762 14.697 272 3HG2 VAL 35 3HG2 VAL 35 -3.269 -0.645 13.715 273 H GLY 36 HN GLY 36 -6.933 -2.457 11.853 274 1HA GLY 36 2HA GLY 36 -8.722 -1.194 12.714 275 2HA GLY 36 1HA GLY 36 -7.557 -0.247 13.634 276 H LYS 37 HN LYS 37 -6.806 -0.423 10.283 277 HA LYS 37 HA LYS 37 -8.053 2.273 9.890 278 1HB LYS 37 2HB LYS 37 -5.376 1.220 8.941 279 2HB LYS 37 1HB LYS 37 -6.092 2.726 8.367 280 1HG LYS 37 2HG LYS 37 -5.912 3.763 10.462 281 2HG LYS 37 1HG LYS 37 -5.795 2.226 11.319 282 1HD LYS 37 2HD LYS 37 -3.598 1.959 9.854 283 2HD LYS 37 1HD LYS 37 -3.684 3.720 9.810 284 1HE LYS 37 2HE LYS 37 -3.143 3.926 12.010 285 2HE LYS 37 1HE LYS 37 -4.134 2.545 12.480 286 1HZ LYS 37 1HE LYS 37 -2.242 1.282 11.161 287 2HZ LYS 37 2HE LYS 37 -2.097 1.653 12.813 288 3HZ LYS 37 3HE LYS 37 -1.338 2.632 11.650 289 H ILE 38 HN ILE 38 -8.304 2.797 7.463 290 HA ILE 38 HA ILE 38 -9.635 0.499 6.180 291 HB ILE 38 HB ILE 38 -9.329 3.361 5.221 292 1HG1 ILE 38 2HG1 ILE 38 -11.638 2.035 6.683 293 2HG1 ILE 38 1HG1 ILE 38 -10.511 3.187 7.401 294 1HG2 ILE 38 1HG2 ILE 38 -10.275 2.597 3.332 295 2HG2 ILE 38 2HG2 ILE 38 -11.695 2.131 4.269 296 3HG2 ILE 38 3HG2 ILE 38 -10.391 0.973 4.009 297 1HD1 ILE 38 1HD1 ILE 38 -11.188 4.869 5.696 298 2HD1 ILE 38 2HD1 ILE 38 -12.540 4.363 6.709 299 3HD1 ILE 38 3HD1 ILE 38 -12.375 3.725 5.073 300 H MET 39 HN MET 39 -8.580 -0.785 4.720 301 HA MET 39 HA MET 39 -6.078 0.281 3.482 302 1HB MET 39 2HB MET 39 -5.899 -1.810 4.843 303 2HB MET 39 1HB MET 39 -7.007 -2.596 3.718 304 1HG MET 39 2HG MET 39 -5.317 -1.783 1.890 305 2HG MET 39 1HG MET 39 -4.194 -1.641 3.243 306 1HE MET 39 1HE MET 39 -7.061 -4.701 2.941 307 2HE MET 39 2HE MET 39 -6.276 -5.203 1.446 308 3HE MET 39 3HE MET 39 -6.832 -3.541 1.626 309 H VAL 40 HN VAL 40 -6.391 1.014 1.421 310 HA VAL 40 HA VAL 40 -8.634 -0.068 -0.173 311 HB VAL 40 HB VAL 40 -6.687 2.152 -0.856 312 1HG1 VAL 40 1HG1 VAL 40 -9.042 0.918 -2.170 313 2HG1 VAL 40 2HG1 VAL 40 -7.677 1.776 -2.883 314 3HG1 VAL 40 3HG1 VAL 40 -9.010 2.682 -2.167 315 1HG2 VAL 40 1HG2 VAL 40 -7.794 2.957 1.051 316 2HG2 VAL 40 2HG2 VAL 40 -9.281 2.088 0.671 317 3HG2 VAL 40 3HG2 VAL 40 -8.838 3.522 -0.254 318 H VAL 41 HN VAL 41 -8.289 -1.756 -1.481 319 HA VAL 41 HA VAL 41 -5.635 -2.017 -2.835 320 HB VAL 41 HB VAL 41 -6.036 -4.525 -2.706 321 1HG1 VAL 41 1HG1 VAL 41 -5.712 -2.955 -0.133 322 2HG1 VAL 41 2HG1 VAL 41 -4.423 -3.447 -1.231 323 3HG1 VAL 41 3HG1 VAL 41 -5.316 -4.662 -0.316 324 1HG2 VAL 41 1HG2 VAL 41 -8.551 -3.780 -1.856 325 2HG2 VAL 41 2HG2 VAL 41 -7.758 -4.187 -0.336 326 3HG2 VAL 41 3HG2 VAL 41 -7.849 -5.381 -1.630 327 H GLY 42 HN GLY 42 -5.873 -1.977 -5.024 328 1HA GLY 42 2HA GLY 42 -8.412 -1.800 -6.301 329 2HA GLY 42 1HA GLY 42 -6.884 -2.070 -7.132 330 H ARG 43 HN ARG 43 -9.464 -3.290 -7.721 331 HA ARG 43 HA ARG 43 -9.920 -5.866 -6.802 332 1HB ARG 43 2HB ARG 43 -11.281 -4.668 -8.519 333 2HB ARG 43 1HB ARG 43 -10.027 -5.014 -9.709 334 1HG ARG 43 2HG ARG 43 -10.830 -7.409 -8.240 335 2HG ARG 43 1HG ARG 43 -12.188 -6.661 -9.081 336 1HD ARG 43 2HD ARG 43 -9.525 -7.349 -10.360 337 2HD ARG 43 1HD ARG 43 -10.998 -8.306 -10.515 338 HE ARG 43 HE ARG 43 -11.393 -5.537 -11.303 339 1HH1 ARG 43 1HH2 ARG 43 -10.244 -8.660 -12.291 340 2HH1 ARG 43 2HH2 ARG 43 -10.518 -8.359 -13.972 341 1HH2 ARG 43 1HH1 ARG 43 -11.743 -5.159 -13.500 342 2HH2 ARG 43 2HH1 ARG 43 -11.361 -6.391 -14.653 343 H ARG 44 HN ARG 44 -7.180 -4.807 -8.735 344 HA ARG 44 HA ARG 44 -6.488 -7.473 -9.660 345 1HB ARG 44 2HB ARG 44 -5.250 -4.765 -9.721 346 2HB ARG 44 1HB ARG 44 -4.159 -6.143 -9.867 347 1HG ARG 44 2HG ARG 44 -6.666 -5.947 -11.535 348 2HG ARG 44 1HG ARG 44 -5.162 -5.182 -12.049 349 1HD ARG 44 2HD ARG 44 -4.950 -8.005 -11.151 350 2HD ARG 44 1HD ARG 44 -5.795 -7.737 -12.674 351 HE ARG 44 HE ARG 44 -2.937 -7.331 -12.193 352 1HH1 ARG 44 1HH1 ARG 44 -5.706 -6.531 -14.135 353 2HH1 ARG 44 2HH1 ARG 44 -4.756 -6.088 -15.511 354 1HH2 ARG 44 1HH2 ARG 44 -1.719 -6.749 -13.989 355 2HH2 ARG 44 2HH2 ARG 44 -2.513 -6.208 -15.430 356 H THR 45 HN THR 45 -5.320 -5.346 -7.031 357 HA THR 45 HA THR 45 -3.416 -7.285 -6.041 358 HB THR 45 HB THR 45 -4.702 -5.090 -4.407 359 HG1 THR 45 HG1 THR 45 -2.627 -4.961 -6.331 360 1HG2 THR 45 1HG2 THR 45 -2.684 -5.153 -3.151 361 2HG2 THR 45 2HG2 THR 45 -1.856 -6.099 -4.387 362 3HG2 THR 45 3HG2 THR 45 -3.117 -6.843 -3.405 363 H TYR 46 HN TYR 46 -6.687 -6.308 -4.916 364 HA TYR 46 HA TYR 46 -6.908 -8.088 -2.747 365 1HB TYR 46 2HB TYR 46 -8.568 -6.312 -3.360 366 2HB TYR 46 1HB TYR 46 -9.122 -7.342 -4.680 367 HD1 TYR 46 HD1 TYR 46 -10.421 -9.345 -4.261 368 HD2 TYR 46 HD2 TYR 46 -8.923 -6.974 -1.008 369 HE1 TYR 46 HE1 TYR 46 -11.897 -10.569 -2.689 370 HE2 TYR 46 HE2 TYR 46 -10.399 -8.199 0.564 371 HH TYR 46 HH TYR 46 -12.932 -10.220 -0.492 372 H GLU 47 HN GLU 47 -7.243 -8.691 -6.202 373 HA GLU 47 HA GLU 47 -8.261 -11.407 -5.826 374 1HB GLU 47 2HB GLU 47 -7.377 -9.754 -8.177 375 2HB GLU 47 1HB GLU 47 -7.566 -11.499 -8.359 376 1HG GLU 47 HG2 GLU 47 -9.873 -10.927 -7.065 377 2HG GLU 47 HG1 GLU 47 -9.631 -9.408 -7.929 378 H SER 48 HN SER 48 -5.160 -9.887 -5.860 379 HA SER 48 HA SER 48 -3.784 -12.466 -6.395 380 1HB SER 48 2HB SER 48 -3.091 -10.164 -7.404 381 2HB SER 48 1HB SER 48 -2.398 -9.856 -5.814 382 HG SER 48 HG SER 48 -1.307 -11.928 -6.099 383 H PHE 49 HN PHE 49 -4.740 -10.422 -3.778 384 HA PHE 49 HA PHE 49 -2.778 -10.869 -1.823 385 1HB PHE 49 2HB PHE 49 -5.638 -10.223 -1.856 386 2HB PHE 49 1HB PHE 49 -5.169 -11.141 -0.427 387 HD1 PHE 49 HD1 PHE 49 -3.225 -10.305 0.984 388 HD2 PHE 49 HD2 PHE 49 -5.069 -7.928 -2.078 389 HE1 PHE 49 HE1 PHE 49 -2.253 -8.264 1.989 390 HE2 PHE 49 HE2 PHE 49 -4.090 -5.883 -1.075 391 HZ PHE 49 HZ PHE 49 -2.680 -6.049 0.958 392 HA PRO 50 HA PRO 50 -3.012 -15.277 -1.089 393 1HB PRO 50 2HB PRO 50 -1.637 -15.184 1.354 394 2HB PRO 50 1HB PRO 50 -0.901 -15.327 -0.248 395 1HG PRO 50 2HG PRO 50 -0.746 -13.126 1.555 396 2HG PRO 50 1HG PRO 50 -0.058 -13.252 -0.071 397 1HD PRO 50 2HD PRO 50 -2.477 -11.846 0.816 398 2HD PRO 50 1HD PRO 50 -1.538 -11.637 -0.671 399 H LYS 51 HN LYS 51 -3.477 -13.256 1.845 400 HA LYS 51 HA LYS 51 -5.683 -15.120 2.628 401 1HB LYS 51 2HB LYS 51 -3.547 -13.747 4.162 402 2HB LYS 51 1HB LYS 51 -5.142 -13.748 4.914 403 1HG LYS 51 2HG LYS 51 -4.599 -16.359 3.812 404 2HG LYS 51 1HG LYS 51 -3.266 -15.871 4.859 405 1HD LYS 51 2HD LYS 51 -5.347 -15.088 6.395 406 2HD LYS 51 1HD LYS 51 -6.101 -16.437 5.545 407 1HE LYS 51 2HE LYS 51 -3.387 -16.703 6.840 408 2HE LYS 51 1HE LYS 51 -4.875 -16.986 7.743 409 1HZ LYS 51 1HE LYS 51 -4.472 -18.304 5.145 410 2HZ LYS 51 2HE LYS 51 -5.415 -18.801 6.469 411 3HZ LYS 51 3HE LYS 51 -3.722 -18.939 6.528 412 H ARG 52 HN ARG 52 -7.649 -14.227 2.269 413 HA ARG 52 HA ARG 52 -7.997 -11.319 2.843 414 1HB ARG 52 2HB ARG 52 -9.360 -12.695 0.519 415 2HB ARG 52 1HB ARG 52 -9.294 -10.969 0.865 416 1HG ARG 52 2HG ARG 52 -7.421 -10.786 -0.359 417 2HG ARG 52 1HG ARG 52 -6.607 -11.935 0.699 418 1HD ARG 52 2HD ARG 52 -6.552 -12.796 -1.573 419 2HD ARG 52 1HD ARG 52 -7.638 -13.801 -0.615 420 HE ARG 52 HE ARG 52 -9.276 -11.845 -1.746 421 1HH1 ARG 52 1HH1 ARG 52 -7.050 -14.259 -2.868 422 2HH1 ARG 52 2HH1 ARG 52 -7.882 -14.500 -4.365 423 1HH2 ARG 52 1HH2 ARG 52 -10.350 -12.165 -3.697 424 2HH2 ARG 52 2HH2 ARG 52 -9.742 -13.321 -4.834 425 HA PRO 53 HA PRO 53 -9.229 -9.954 3.346 426 1HB PRO 53 2HB PRO 53 -10.696 -8.953 5.470 427 2HB PRO 53 1HB PRO 53 -11.236 -8.948 3.785 428 1HG PRO 53 2HG PRO 53 -12.301 -10.451 5.994 429 2HG PRO 53 1HG PRO 53 -12.884 -10.383 4.324 430 1HD PRO 53 2HD PRO 53 -11.261 -12.450 5.634 431 2HD PRO 53 1HD PRO 53 -12.179 -12.536 4.121 432 H LEU 54 HN LEU 54 -8.315 -8.508 5.254 433 HA LEU 54 HA LEU 54 -6.490 -10.179 6.784 434 1HB LEU 54 2HB LEU 54 -7.030 -7.196 6.810 435 2HB LEU 54 1HB LEU 54 -5.769 -7.969 7.772 436 HG LEU 54 HG LEU 54 -5.834 -8.666 4.883 437 1HD1 LEU 54 1HD1 LEU 54 -4.493 -6.566 4.393 438 2HD1 LEU 54 2HD1 LEU 54 -5.063 -5.934 5.937 439 3HD1 LEU 54 3HD1 LEU 54 -6.217 -6.307 4.656 440 1HD2 LEU 54 1HD2 LEU 54 -3.976 -8.590 7.145 441 2HD2 LEU 54 2HD2 LEU 54 -3.277 -7.904 5.679 442 3HD2 LEU 54 3HD2 LEU 54 -3.904 -9.552 5.668 443 HA PRO 55 HA PRO 55 -8.861 -10.657 10.495 444 1HB PRO 55 2HB PRO 55 -6.667 -10.778 12.257 445 2HB PRO 55 1HB PRO 55 -7.427 -12.139 11.422 446 1HG PRO 55 2HG PRO 55 -4.833 -11.019 10.979 447 2HG PRO 55 1HG PRO 55 -5.590 -12.391 10.159 448 1HD PRO 55 2HD PRO 55 -5.197 -9.680 9.187 449 2HD PRO 55 1HD PRO 55 -5.733 -11.116 8.301 450 H GLU 56 HN GLU 56 -9.843 -9.228 11.854 451 HA GLU 56 HA GLU 56 -10.290 -7.181 12.925 452 1HB GLU 56 2HB GLU 56 -7.449 -7.787 13.772 453 2HB GLU 56 1HB GLU 56 -8.386 -6.455 14.451 454 1HG GLU 56 HG2 GLU 56 -10.072 -7.971 15.282 455 2HG GLU 56 HG1 GLU 56 -9.338 -9.331 14.432 456 H ARG 57 HN ARG 57 -9.536 -6.858 10.196 457 HA ARG 57 HA ARG 57 -8.383 -4.126 10.359 458 1HB ARG 57 2HB ARG 57 -7.222 -6.453 8.887 459 2HB ARG 57 1HB ARG 57 -7.159 -4.873 8.108 460 1HG ARG 57 2HG ARG 57 -5.435 -4.274 9.417 461 2HG ARG 57 1HG ARG 57 -6.419 -4.540 10.855 462 1HD ARG 57 2HD ARG 57 -5.728 -7.112 9.953 463 2HD ARG 57 1HD ARG 57 -4.256 -6.156 9.796 464 HE ARG 57 HE ARG 57 -5.217 -5.506 12.318 465 1HH1 ARG 57 1HH2 ARG 57 -4.418 -8.428 10.625 466 2HH1 ARG 57 2HH2 ARG 57 -3.947 -9.271 12.061 467 1HH2 ARG 57 1HH1 ARG 57 -4.603 -6.611 14.179 468 2HH2 ARG 57 2HH1 ARG 57 -4.050 -8.249 14.063 469 H THR 58 HN THR 58 -9.531 -2.732 9.100 470 HA THR 58 HA THR 58 -11.748 -3.780 7.496 471 HB THR 58 HB THR 58 -10.878 -0.891 7.654 472 HG1 THR 58 HG1 THR 58 -11.088 -1.257 9.737 473 1HG2 THR 58 1HG2 THR 58 -12.973 -2.219 6.362 474 2HG2 THR 58 2HG2 THR 58 -12.860 -0.485 6.662 475 3HG2 THR 58 3HG2 THR 58 -13.714 -1.523 7.804 476 H ASN 59 HN ASN 59 -11.563 -4.251 5.363 477 HA ASN 59 HA ASN 59 -9.398 -2.884 3.810 478 1HB ASN 59 2HB ASN 59 -10.433 -5.655 3.193 479 2HB ASN 59 1HB ASN 59 -8.943 -4.897 2.635 480 1HD2 ASN 59 1HD2 ASN 59 -8.182 -3.825 5.287 481 2HD2 ASN 59 2HD2 ASN 59 -7.730 -5.158 6.237 482 H VAL 60 HN VAL 60 -10.012 -2.064 1.791 483 HA VAL 60 HA VAL 60 -12.855 -2.531 0.992 484 HB VAL 60 HB VAL 60 -11.264 0.037 0.702 485 1HG1 VAL 60 1HG1 VAL 60 -13.739 0.832 0.291 486 2HG1 VAL 60 2HG1 VAL 60 -14.008 -0.862 -0.119 487 3HG1 VAL 60 3HG1 VAL 60 -12.831 0.086 -1.025 488 1HG2 VAL 60 1HG2 VAL 60 -12.770 -1.059 2.922 489 2HG2 VAL 60 2HG2 VAL 60 -13.543 0.411 2.328 490 3HG2 VAL 60 3HG2 VAL 60 -11.858 0.444 2.837 491 H VAL 61 HN VAL 61 -13.138 -3.079 -1.150 492 HA VAL 61 HA VAL 61 -10.670 -3.325 -2.787 493 HB VAL 61 HB VAL 61 -13.418 -4.430 -3.419 494 1HG1 VAL 61 1HG1 VAL 61 -12.344 -5.706 -5.037 495 2HG1 VAL 61 2HG1 VAL 61 -10.792 -5.647 -4.202 496 3HG1 VAL 61 3HG1 VAL 61 -11.370 -4.237 -5.088 497 1HG2 VAL 61 1HG2 VAL 61 -11.251 -5.428 -1.593 498 2HG2 VAL 61 2HG2 VAL 61 -12.201 -6.594 -2.514 499 3HG2 VAL 61 3HG2 VAL 61 -13.001 -5.499 -1.386 500 H LEU 62 HN LEU 62 -10.549 -2.446 -4.882 501 HA LEU 62 HA LEU 62 -12.600 -0.354 -5.499 502 1HB LEU 62 2HB LEU 62 -9.896 0.003 -5.002 503 2HB LEU 62 1HB LEU 62 -9.962 -0.049 -6.763 504 HG LEU 62 HG LEU 62 -11.816 1.656 -6.667 505 1HD1 LEU 62 1HD1 LEU 62 -12.298 2.795 -4.627 506 2HD1 LEU 62 2HD1 LEU 62 -10.933 2.045 -3.801 507 3HD1 LEU 62 3HD1 LEU 62 -12.345 1.079 -4.224 508 1HD2 LEU 62 1HD2 LEU 62 -9.777 2.640 -7.219 509 2HD2 LEU 62 2HD2 LEU 62 -9.017 2.153 -5.705 510 3HD2 LEU 62 3HD2 LEU 62 -10.157 3.499 -5.727 511 H THR 63 HN THR 63 -13.744 -0.812 -7.336 512 HA THR 63 HA THR 63 -12.340 -2.060 -9.618 513 HB THR 63 HB THR 63 -13.167 -4.002 -8.371 514 HG1 THR 63 HG1 THR 63 -13.448 -3.722 -10.763 515 1HG2 THR 63 1HG2 THR 63 -15.972 -2.967 -8.720 516 2HG2 THR 63 2HG2 THR 63 -15.032 -2.554 -7.287 517 3HG2 THR 63 3HG2 THR 63 -15.392 -4.242 -7.649 518 H HIS 64 HN HIS 64 -13.594 -1.878 -11.615 519 HA HIS 64 HA HIS 64 -15.428 0.453 -11.527 520 1HB HIS 64 2HB HIS 64 -13.571 -0.711 -13.494 521 2HB HIS 64 1HB HIS 64 -15.107 -0.195 -14.187 522 HD1 HIS 64 HD1 HIS 64 -15.846 2.355 -13.392 523 HD2 HIS 64 HD2 HIS 64 -11.800 1.381 -13.149 524 HE1 HIS 64 HE1 HIS 64 -14.588 4.549 -13.262 525 H GLN 65 HN GLN 65 -15.810 -2.784 -11.225 526 HA GLN 65 HA GLN 65 -18.027 -3.134 -13.125 527 1HB GLN 65 2HB GLN 65 -16.747 -4.877 -11.018 528 2HB GLN 65 1HB GLN 65 -18.252 -5.349 -11.808 529 1HG GLN 65 2HG GLN 65 -16.463 -6.344 -13.070 530 2HG GLN 65 1HG GLN 65 -17.077 -4.995 -14.027 531 1HE2 GLN 65 1HE2 GLN 65 -14.386 -5.998 -11.910 532 2HE2 GLN 65 2HE2 GLN 65 -13.316 -4.783 -12.419 533 H GLU 66 HN GLU 66 -20.179 -3.904 -12.223 534 HA GLU 66 HA GLU 66 -20.858 -2.305 -9.789 535 1HB GLU 66 2HB GLU 66 -22.110 -2.571 -12.420 536 2HB GLU 66 1HB GLU 66 -23.248 -2.860 -11.104 537 1HG GLU 66 HG2 GLU 66 -23.401 -0.557 -11.251 538 2HG GLU 66 HG1 GLU 66 -22.081 -0.695 -10.089 539 H ASP 67 HN ASP 67 -20.631 -5.478 -11.025 540 HA ASP 67 HA ASP 67 -22.609 -6.487 -9.036 541 1HB ASP 67 2HB ASP 67 -21.743 -7.363 -11.684 542 2HB ASP 67 1HB ASP 67 -21.682 -8.670 -10.501 543 H TYR 68 HN TYR 68 -19.680 -5.559 -8.607 544 HA TYR 68 HA TYR 68 -18.101 -7.857 -7.979 545 1HB TYR 68 2HB TYR 68 -17.457 -5.312 -8.047 546 2HB TYR 68 1HB TYR 68 -17.936 -5.335 -6.350 547 HD1 TYR 68 HD1 TYR 68 -15.674 -6.912 -8.849 548 HD2 TYR 68 HD2 TYR 68 -16.556 -6.341 -4.685 549 HE1 TYR 68 HE1 TYR 68 -13.500 -7.941 -8.248 550 HE2 TYR 68 HE2 TYR 68 -14.381 -7.369 -4.083 551 HH TYR 68 HH TYR 68 -12.747 -9.217 -5.580 552 H GLN 69 HN GLN 69 -18.812 -9.439 -6.621 553 HA GLN 69 HA GLN 69 -20.421 -8.648 -4.241 554 1HB GLN 69 2HB GLN 69 -19.978 -11.362 -5.522 555 2HB GLN 69 1HB GLN 69 -20.982 -11.068 -4.102 556 1HG GLN 69 2HG GLN 69 -21.439 -9.572 -6.682 557 2HG GLN 69 1HG GLN 69 -22.172 -11.150 -6.393 558 1HE2 GLN 69 1HE2 GLN 69 -24.330 -10.107 -6.344 559 2HE2 GLN 69 2HE2 GLN 69 -24.825 -9.229 -4.977 560 H ALA 70 HN ALA 70 -19.200 -8.335 -2.448 561 HA ALA 70 HA ALA 70 -17.107 -10.358 -1.817 562 1HB ALA 70 1HB ALA 70 -16.652 -7.424 -1.281 563 2HB ALA 70 2HB ALA 70 -16.165 -8.158 -2.809 564 3HB ALA 70 3HB ALA 70 -15.471 -8.734 -1.293 565 H GLN 71 HN GLN 71 -18.565 -11.225 -0.254 566 HA GLN 71 HA GLN 71 -19.841 -9.568 1.747 567 1HB GLN 71 2HB GLN 71 -19.349 -12.536 1.486 568 2HB GLN 71 1HB GLN 71 -20.099 -11.849 2.927 569 1HG GLN 71 2HG GLN 71 -21.934 -10.971 1.667 570 2HG GLN 71 1HG GLN 71 -21.121 -11.293 0.135 571 1HE2 GLN 71 1HE2 GLN 71 -22.826 -12.834 2.844 572 2HE2 GLN 71 2HE2 GLN 71 -23.062 -14.326 2.070 573 H GLY 72 HN GLY 72 -18.812 -8.608 3.419 574 1HA GLY 72 2HA GLY 72 -17.492 -8.856 5.474 575 2HA GLY 72 1HA GLY 72 -16.467 -10.008 4.620 576 H ALA 73 HN ALA 73 -16.274 -8.330 2.181 577 HA ALA 73 HA ALA 73 -14.354 -6.334 3.283 578 1HB ALA 73 1HB ALA 73 -13.307 -6.433 1.030 579 2HB ALA 73 2HB ALA 73 -14.514 -7.623 0.543 580 3HB ALA 73 3HB ALA 73 -13.353 -8.013 1.812 581 H VAL 74 HN VAL 74 -14.529 -4.206 2.748 582 HA VAL 74 HA VAL 74 -17.061 -3.167 1.861 583 HB VAL 74 HB VAL 74 -14.397 -1.733 1.982 584 1HG1 VAL 74 1HG1 VAL 74 -15.546 0.139 1.479 585 2HG1 VAL 74 2HG1 VAL 74 -16.768 -0.219 2.699 586 3HG1 VAL 74 3HG1 VAL 74 -16.920 -0.889 1.075 587 1HG2 VAL 74 1HG2 VAL 74 -15.476 -3.039 4.075 588 2HG2 VAL 74 2HG2 VAL 74 -16.405 -1.544 4.175 589 3HG2 VAL 74 3HG2 VAL 74 -14.644 -1.495 4.257 590 H VAL 75 HN VAL 75 -17.785 -2.913 -0.188 591 HA VAL 75 HA VAL 75 -15.783 -3.007 -2.411 592 HB VAL 75 HB VAL 75 -18.752 -3.609 -2.516 593 1HG1 VAL 75 1HG1 VAL 75 -17.472 -2.840 -4.618 594 2HG1 VAL 75 2HG1 VAL 75 -18.362 -4.358 -4.729 595 3HG1 VAL 75 3HG1 VAL 75 -16.613 -4.376 -4.504 596 1HG2 VAL 75 1HG2 VAL 75 -17.501 -5.979 -2.964 597 2HG2 VAL 75 2HG2 VAL 75 -18.070 -5.472 -1.374 598 3HG2 VAL 75 3HG2 VAL 75 -16.378 -5.248 -1.818 599 H VAL 76 HN VAL 76 -15.577 -1.212 -3.690 600 HA VAL 76 HA VAL 76 -17.839 0.705 -3.862 601 HB VAL 76 HB VAL 76 -16.274 2.614 -3.472 602 1HG1 VAL 76 1HG1 VAL 76 -16.077 0.874 -1.043 603 2HG1 VAL 76 2HG1 VAL 76 -17.680 1.275 -1.659 604 3HG1 VAL 76 3HG1 VAL 76 -16.575 2.561 -1.174 605 1HG2 VAL 76 1HG2 VAL 76 -14.049 2.320 -3.043 606 2HG2 VAL 76 2HG2 VAL 76 -14.293 0.781 -3.869 607 3HG2 VAL 76 3HG2 VAL 76 -14.323 0.851 -2.107 608 H HIS 77 HN HIS 77 -17.528 2.248 -5.692 609 HA HIS 77 HA HIS 77 -15.526 1.310 -7.699 610 1HB HIS 77 2HB HIS 77 -18.377 2.005 -8.432 611 2HB HIS 77 1HB HIS 77 -17.161 1.214 -9.433 612 HD1 HIS 77 HD1 HIS 77 -16.195 -1.098 -7.976 613 HD2 HIS 77 HD2 HIS 77 -20.164 0.101 -7.566 614 HE1 HIS 77 HE1 HIS 77 -17.471 -3.121 -7.139 615 H ASP 78 HN ASP 78 -15.558 3.701 -5.968 616 HA ASP 78 HA ASP 78 -15.027 5.673 -8.021 617 1HB ASP 78 2HB ASP 78 -17.697 5.528 -7.152 618 2HB ASP 78 1HB ASP 78 -17.012 6.909 -6.296 619 H VAL 79 HN VAL 79 -13.097 6.263 -7.103 620 HA VAL 79 HA VAL 79 -12.277 6.229 -4.470 621 HB VAL 79 HB VAL 79 -11.638 8.359 -6.533 622 1HG1 VAL 79 1HG1 VAL 79 -10.374 7.648 -3.879 623 2HG1 VAL 79 2HG1 VAL 79 -10.935 9.229 -4.426 624 3HG1 VAL 79 3HG1 VAL 79 -9.491 8.510 -5.140 625 1HG2 VAL 79 1HG2 VAL 79 -10.175 6.877 -7.446 626 2HG2 VAL 79 2HG2 VAL 79 -11.144 5.651 -6.628 627 3HG2 VAL 79 3HG2 VAL 79 -9.674 6.263 -5.870 628 H ALA 80 HN ALA 80 -14.413 8.608 -5.951 629 HA ALA 80 HA ALA 80 -14.326 10.614 -3.934 630 1HB ALA 80 1HB ALA 80 -15.754 10.221 -6.274 631 2HB ALA 80 2HB ALA 80 -15.987 11.562 -5.153 632 3HB ALA 80 3HB ALA 80 -17.005 10.127 -5.034 633 H ALA 81 HN ALA 81 -16.222 7.631 -4.180 634 HA ALA 81 HA ALA 81 -17.794 8.053 -1.811 635 1HB ALA 81 1HB ALA 81 -17.863 5.421 -1.933 636 2HB ALA 81 2HB ALA 81 -17.079 5.671 -3.493 637 3HB ALA 81 3HB ALA 81 -18.665 6.377 -3.179 638 H VAL 82 HN VAL 82 -14.739 6.270 -2.378 639 HA VAL 82 HA VAL 82 -14.383 5.306 0.265 640 HB VAL 82 HB VAL 82 -12.104 6.273 -1.471 641 1HG1 VAL 82 1HG1 VAL 82 -11.684 3.713 -0.317 642 2HG1 VAL 82 2HG1 VAL 82 -12.371 4.732 0.947 643 3HG1 VAL 82 3HG1 VAL 82 -10.899 5.231 0.116 644 1HG2 VAL 82 1HG2 VAL 82 -12.563 3.555 -2.026 645 2HG2 VAL 82 2HG2 VAL 82 -12.835 4.913 -3.118 646 3HG2 VAL 82 3HG2 VAL 82 -14.154 4.312 -2.116 647 H PHE 83 HN PHE 83 -13.487 8.425 -1.188 648 HA PHE 83 HA PHE 83 -12.086 9.472 1.073 649 1HB PHE 83 2HB PHE 83 -13.422 10.622 -1.340 650 2HB PHE 83 1HB PHE 83 -13.049 11.719 -0.011 651 HD1 PHE 83 HD1 PHE 83 -11.786 10.303 -2.962 652 HD2 PHE 83 HD2 PHE 83 -10.599 11.353 1.029 653 HE1 PHE 83 HE1 PHE 83 -9.417 10.389 -3.689 654 HE2 PHE 83 HE2 PHE 83 -8.230 11.438 0.302 655 HZ PHE 83 HZ PHE 83 -7.639 10.956 -2.057 656 H ALA 84 HN ALA 84 -15.498 9.146 0.356 657 HA ALA 84 HA ALA 84 -16.360 11.017 2.420 658 1HB ALA 84 1HB ALA 84 -18.621 9.965 1.979 659 2HB ALA 84 2HB ALA 84 -17.827 8.918 0.803 660 3HB ALA 84 3HB ALA 84 -17.845 10.665 0.559 661 H TYR 85 HN TYR 85 -15.405 7.665 2.372 662 HA TYR 85 HA TYR 85 -16.883 6.941 4.782 663 1HB TYR 85 2HB TYR 85 -15.874 5.424 2.854 664 2HB TYR 85 1HB TYR 85 -14.435 5.469 3.873 665 HD1 TYR 85 HD1 TYR 85 -18.144 4.951 4.163 666 HD2 TYR 85 HD2 TYR 85 -14.231 3.894 5.574 667 HE1 TYR 85 HE1 TYR 85 -19.144 3.243 5.659 668 HE2 TYR 85 HE2 TYR 85 -15.224 2.187 7.069 669 HH TYR 85 HH TYR 85 -17.793 0.812 6.832 670 H ALA 86 HN ALA 86 -13.412 7.458 4.058 671 HA ALA 86 HA ALA 86 -12.454 7.349 6.712 672 1HB ALA 86 1HB ALA 86 -10.502 8.460 5.918 673 2HB ALA 86 2HB ALA 86 -11.400 9.288 4.646 674 3HB ALA 86 3HB ALA 86 -11.110 7.553 4.532 675 H LYS 87 HN LYS 87 -13.843 10.068 4.905 676 HA LYS 87 HA LYS 87 -13.418 12.058 6.929 677 1HB LYS 87 2HB LYS 87 -14.265 12.200 4.391 678 2HB LYS 87 1HB LYS 87 -15.839 12.201 5.186 679 1HG LYS 87 2HG LYS 87 -14.277 13.975 6.699 680 2HG LYS 87 1HG LYS 87 -13.868 14.332 5.021 681 1HD LYS 87 2HD LYS 87 -16.032 14.970 4.482 682 2HD LYS 87 1HD LYS 87 -16.752 13.962 5.738 683 1HE LYS 87 2HE LYS 87 -16.269 15.504 7.436 684 2HE LYS 87 1HE LYS 87 -14.999 16.286 6.496 685 1HZ LYS 87 1HE LYS 87 -17.903 16.619 6.342 686 2HZ LYS 87 2HE LYS 87 -17.008 16.782 4.907 687 3HZ LYS 87 3HE LYS 87 -16.674 17.783 6.239 688 H GLN 88 HN GLN 88 -15.834 9.555 6.478 689 HA GLN 88 HA GLN 88 -17.595 10.681 8.548 690 1HB GLN 88 2HB GLN 88 -17.702 8.429 6.616 691 2HB GLN 88 1HB GLN 88 -18.594 8.207 8.122 692 1HG GLN 88 2HG GLN 88 -20.040 9.967 7.690 693 2HG GLN 88 1HG GLN 88 -18.873 10.811 6.672 694 1HE2 GLN 88 1HE2 GLN 88 -19.114 10.547 4.436 695 2HE2 GLN 88 2HE2 GLN 88 -20.085 9.362 3.706 696 H HIS 89 HN HIS 89 -15.062 8.220 8.335 697 HA HIS 89 HA HIS 89 -15.771 7.173 11.004 698 1HB HIS 89 2HB HIS 89 -13.967 6.364 8.784 699 2HB HIS 89 1HB HIS 89 -13.458 5.922 10.414 700 HD1 HIS 89 HD1 HIS 89 -14.500 3.855 11.352 701 HD2 HIS 89 HD2 HIS 89 -16.788 5.461 8.260 702 HE1 HIS 89 HE1 HIS 89 -16.410 2.239 10.962 703 HA PRO 90 HA PRO 90 -12.848 10.145 12.787 704 1HB PRO 90 2HB PRO 90 -13.867 9.816 15.346 705 2HB PRO 90 1HB PRO 90 -14.462 10.985 14.157 706 1HG PRO 90 2HG PRO 90 -15.781 8.637 15.180 707 2HG PRO 90 1HG PRO 90 -16.414 9.873 14.082 708 1HD PRO 90 2HD PRO 90 -15.433 7.195 13.456 709 2HD PRO 90 1HD PRO 90 -16.335 8.324 12.432 710 H ASP 91 HN ASP 91 -12.951 6.849 12.950 711 HA ASP 91 HA ASP 91 -10.556 6.774 14.726 712 1HB ASP 91 2HB ASP 91 -13.061 5.125 14.939 713 2HB ASP 91 1HB ASP 91 -11.514 4.436 15.434 714 H GLN 92 HN GLN 92 -11.636 6.336 11.713 715 HA GLN 92 HA GLN 92 -9.568 4.306 11.106 716 1HB GLN 92 2HB GLN 92 -12.173 3.491 11.281 717 2HB GLN 92 1HB GLN 92 -12.101 3.991 9.591 718 1HG GLN 92 2HG GLN 92 -10.467 2.410 9.057 719 2HG GLN 92 1HG GLN 92 -9.921 2.270 10.722 720 1HE2 GLN 92 1HE2 GLN 92 -12.812 1.579 8.688 721 2HE2 GLN 92 2HE2 GLN 92 -13.291 0.212 9.574 722 H GLU 93 HN GLU 93 -8.285 5.690 9.800 723 HA GLU 93 HA GLU 93 -9.643 7.609 8.046 724 1HB GLU 93 2HB GLU 93 -6.746 7.012 8.687 725 2HB GLU 93 1HB GLU 93 -7.219 8.180 7.455 726 1HG GLU 93 HG2 GLU 93 -8.489 9.460 9.109 727 2HG GLU 93 HG1 GLU 93 -8.101 8.271 10.353 728 H LEU 94 HN LEU 94 -7.755 7.552 5.913 729 HA LEU 94 HA LEU 94 -8.585 5.017 4.575 730 1HB LEU 94 2HB LEU 94 -9.158 7.513 3.754 731 2HB LEU 94 1HB LEU 94 -7.585 7.321 2.980 732 HG LEU 94 HG LEU 94 -8.481 5.041 2.159 733 1HD1 LEU 94 1HD1 LEU 94 -10.648 4.493 2.527 734 2HD1 LEU 94 2HD1 LEU 94 -11.208 6.123 2.158 735 3HD1 LEU 94 3HD1 LEU 94 -10.623 5.737 3.776 736 1HD2 LEU 94 1HD2 LEU 94 -10.045 7.290 0.952 737 2HD2 LEU 94 2HD2 LEU 94 -9.080 6.047 0.157 738 3HD2 LEU 94 3HD2 LEU 94 -8.286 7.407 0.953 739 H VAL 95 HN VAL 95 -6.962 3.581 4.286 740 HA VAL 95 HA VAL 95 -4.184 4.654 3.978 741 HB VAL 95 HB VAL 95 -4.980 1.933 5.066 742 1HG1 VAL 95 1HG1 VAL 95 -2.315 3.350 5.229 743 2HG1 VAL 95 2HG1 VAL 95 -2.723 2.268 3.898 744 3HG1 VAL 95 3HG1 VAL 95 -2.663 1.652 5.549 745 1HG2 VAL 95 1HG2 VAL 95 -5.656 3.598 6.676 746 2HG2 VAL 95 2HG2 VAL 95 -4.154 4.497 6.456 747 3HG2 VAL 95 3HG2 VAL 95 -4.131 2.918 7.242 748 H ILE 96 HN ILE 96 -3.318 4.244 2.004 749 HA ILE 96 HA ILE 96 -4.811 2.543 0.137 750 HB ILE 96 HB ILE 96 -2.202 3.980 -0.387 751 1HG1 ILE 96 2HG1 ILE 96 -3.795 5.605 0.527 752 2HG1 ILE 96 1HG1 ILE 96 -3.626 5.857 -1.208 753 1HG2 ILE 96 1HG2 ILE 96 -4.036 2.376 -1.943 754 2HG2 ILE 96 2HG2 ILE 96 -2.486 3.065 -2.423 755 3HG2 ILE 96 3HG2 ILE 96 -3.962 4.013 -2.597 756 1HD1 ILE 96 1HD1 ILE 96 -5.858 4.316 0.144 757 2HD1 ILE 96 2HD1 ILE 96 -5.680 4.538 -1.596 758 3HD1 ILE 96 3HD1 ILE 96 -5.995 5.929 -0.558 759 H ALA 97 HN ALA 97 -4.001 0.679 -0.851 760 HA ALA 97 HA ALA 97 -1.512 -0.467 0.339 761 1HB ALA 97 1HB ALA 97 -2.797 -2.718 -0.053 762 2HB ALA 97 2HB ALA 97 -4.234 -1.696 -0.011 763 3HB ALA 97 3HB ALA 97 -3.159 -1.761 1.383 764 H GLY 98 HN GLY 98 -2.998 0.631 -2.409 765 1HA GLY 98 2HA GLY 98 -1.907 0.598 -4.546 766 2HA GLY 98 1HA GLY 98 -1.118 -0.911 -4.097 767 H GLY 99 HN GLY 99 -3.434 -2.329 -6.403 768 1HA GLY 99 2HA GLY 99 -0.700 -2.005 -5.545 769 2HA GLY 99 1HA GLY 99 -1.232 -2.569 -7.123 770 H ALA 100 HN ALA 100 0.020 -1.327 -8.453 771 HA ALA 100 HA ALA 100 0.721 1.407 -8.022 772 1HB ALA 100 1HB ALA 100 0.444 0.290 -10.793 773 2HB ALA 100 2HB ALA 100 1.662 -0.383 -9.708 774 3HB ALA 100 3HB ALA 100 1.706 1.329 -10.131 775 H GLN 101 HN GLN 101 -1.950 -0.060 -9.858 776 HA GLN 101 HA GLN 101 -2.945 2.295 -11.049 777 1HB GLN 101 2HB GLN 101 -3.740 -0.333 -10.986 778 2HB GLN 101 1HB GLN 101 -5.028 0.454 -10.074 779 1HG GLN 101 2HG GLN 101 -5.826 1.550 -11.901 780 2HG GLN 101 1HG GLN 101 -4.210 1.892 -12.520 781 1HE2 GLN 101 1HE2 GLN 101 -3.067 -0.511 -13.020 782 2HE2 GLN 101 2HE2 GLN 101 -4.014 -1.459 -14.062 783 H ILE 102 HN ILE 102 -3.511 1.027 -7.739 784 HA ILE 102 HA ILE 102 -5.453 3.113 -7.162 785 HB ILE 102 HB ILE 102 -3.933 1.310 -5.257 786 1HG1 ILE 102 2HG1 ILE 102 -5.189 -0.003 -6.908 787 2HG1 ILE 102 1HG1 ILE 102 -5.996 -0.080 -5.343 788 1HG2 ILE 102 1HG2 ILE 102 -5.883 1.776 -3.771 789 2HG2 ILE 102 2HG2 ILE 102 -6.483 2.929 -4.963 790 3HG2 ILE 102 3HG2 ILE 102 -4.953 3.228 -4.138 791 1HD1 ILE 102 1HD1 ILE 102 -7.163 2.143 -6.465 792 2HD1 ILE 102 2HD1 ILE 102 -7.859 0.524 -6.493 793 3HD1 ILE 102 3HD1 ILE 102 -6.926 1.106 -7.872 794 H PHE 103 HN PHE 103 -1.949 2.834 -6.931 795 HA PHE 103 HA PHE 103 -1.652 5.002 -5.027 796 1HB PHE 103 2HB PHE 103 0.287 3.803 -7.032 797 2HB PHE 103 1HB PHE 103 0.731 4.986 -5.806 798 HD1 PHE 103 HD1 PHE 103 1.537 1.915 -6.303 799 HD2 PHE 103 HD2 PHE 103 -1.041 3.972 -3.547 800 HE1 PHE 103 HE1 PHE 103 1.835 0.085 -4.657 801 HE2 PHE 103 HE2 PHE 103 -0.743 2.142 -1.904 802 HZ PHE 103 HZ PHE 103 0.694 0.198 -2.457 803 H THR 104 HN THR 104 -2.200 4.767 -8.442 804 HA THR 104 HA THR 104 -1.206 7.435 -9.081 805 HB THR 104 HB THR 104 -3.188 5.984 -10.800 806 HG1 THR 104 HG1 THR 104 -0.649 5.192 -11.263 807 1HG2 THR 104 1HG2 THR 104 -0.573 7.189 -11.651 808 2HG2 THR 104 2HG2 THR 104 -1.923 8.248 -11.243 809 3HG2 THR 104 3HG2 THR 104 -2.089 7.070 -12.544 810 H ALA 105 HN ALA 105 -4.482 5.984 -8.843 811 HA ALA 105 HA ALA 105 -5.893 8.425 -9.271 812 1HB ALA 105 1HB ALA 105 -6.566 5.779 -8.050 813 2HB ALA 105 2HB ALA 105 -7.291 6.591 -9.437 814 3HB ALA 105 3HB ALA 105 -7.680 7.123 -7.801 815 H PHE 106 HN PHE 106 -4.396 7.116 -6.368 816 HA PHE 106 HA PHE 106 -5.654 9.267 -4.740 817 1HB PHE 106 2HB PHE 106 -4.093 6.780 -4.027 818 2HB PHE 106 1HB PHE 106 -4.507 8.013 -2.837 819 HD1 PHE 106 HD1 PHE 106 -6.713 8.201 -1.956 820 HD2 PHE 106 HD2 PHE 106 -5.936 5.595 -5.277 821 HE1 PHE 106 HE1 PHE 106 -8.970 7.208 -1.706 822 HE2 PHE 106 HE2 PHE 106 -8.191 4.601 -5.028 823 HZ PHE 106 HZ PHE 106 -9.709 5.407 -3.241 824 H LYS 107 HN LYS 107 -2.871 8.861 -6.554 825 HA LYS 107 HA LYS 107 -0.807 9.819 -4.878 826 1HB LYS 107 2HB LYS 107 0.413 10.319 -6.850 827 2HB LYS 107 1HB LYS 107 -0.626 8.969 -7.290 828 1HG LYS 107 2HG LYS 107 -2.298 10.683 -8.151 829 2HG LYS 107 1HG LYS 107 -1.033 11.894 -7.943 830 1HD LYS 107 2HD LYS 107 0.104 9.652 -9.315 831 2HD LYS 107 1HD LYS 107 -1.397 10.091 -10.130 832 1HE LYS 107 2HE LYS 107 -0.069 11.626 -11.176 833 2HE LYS 107 1HE LYS 107 -0.341 12.559 -9.704 834 1HZ LYS 107 1HE LYS 107 1.931 10.698 -10.146 835 2HZ LYS 107 2HE LYS 107 1.680 11.671 -8.776 836 3HZ LYS 107 3HE LYS 107 2.017 12.387 -10.280 837 H ASP 108 HN ASP 108 -3.292 11.682 -6.655 838 HA ASP 108 HA ASP 108 -2.134 14.251 -6.127 839 1HB ASP 108 2HB ASP 108 -4.121 13.409 -7.721 840 2HB ASP 108 1HB ASP 108 -5.089 13.987 -6.364 841 H ASP 109 HN ASP 109 -4.472 12.278 -4.305 842 HA ASP 109 HA ASP 109 -4.471 14.404 -2.201 843 1HB ASP 109 2HB ASP 109 -6.465 12.289 -2.982 844 2HB ASP 109 1HB ASP 109 -6.493 12.985 -1.361 845 H VAL 110 HN VAL 110 -2.409 13.647 -1.305 846 HA VAL 110 HA VAL 110 -2.662 11.027 0.115 847 HB VAL 110 HB VAL 110 -0.052 12.436 -0.447 848 1HG1 VAL 110 1HG1 VAL 110 0.623 10.733 0.875 849 2HG1 VAL 110 2HG1 VAL 110 0.277 9.679 -0.496 850 3HG1 VAL 110 3HG1 VAL 110 -0.938 9.921 0.759 851 1HG2 VAL 110 1HG2 VAL 110 -0.069 10.476 -2.300 852 2HG2 VAL 110 2HG2 VAL 110 -0.599 12.118 -2.654 853 3HG2 VAL 110 3HG2 VAL 110 -1.789 10.866 -2.290 854 H ASP 111 HN ASP 111 -1.897 10.974 2.304 855 HA ASP 111 HA ASP 111 -1.622 13.669 3.579 856 1HB ASP 111 2HB ASP 111 -3.741 11.972 3.950 857 2HB ASP 111 1HB ASP 111 -2.671 11.475 5.260 858 H THR 112 HN THR 112 -0.745 10.250 3.637 859 HA THR 112 HA THR 112 1.834 10.974 4.896 860 HB THR 112 HB THR 112 0.169 8.732 6.061 861 HG1 THR 112 HG1 THR 112 0.551 11.340 7.099 862 1HG2 THR 112 1HG2 THR 112 2.795 9.015 6.227 863 2HG2 THR 112 2HG2 THR 112 1.855 8.535 7.640 864 3HG2 THR 112 3HG2 THR 112 2.369 10.211 7.452 865 H LEU 113 HN LEU 113 3.449 9.826 3.921 866 HA LEU 113 HA LEU 113 2.630 7.505 2.230 867 1HB LEU 113 2HB LEU 113 5.124 9.224 2.081 868 2HB LEU 113 1HB LEU 113 4.703 7.922 0.970 869 HG LEU 113 HG LEU 113 2.756 10.160 1.437 870 1HD1 LEU 113 1HD1 LEU 113 3.800 11.578 -0.114 871 2HD1 LEU 113 2HD1 LEU 113 4.812 10.286 -0.758 872 3HD1 LEU 113 3HD1 LEU 113 5.164 10.975 0.827 873 1HD2 LEU 113 1HD2 LEU 113 2.545 9.527 -1.142 874 2HD2 LEU 113 2HD2 LEU 113 1.771 8.544 0.101 875 3HD2 LEU 113 3HD2 LEU 113 3.308 8.033 -0.596 876 H LEU 114 HN LEU 114 3.437 5.505 2.673 877 HA LEU 114 HA LEU 114 5.671 5.300 4.648 878 1HB LEU 114 2HB LEU 114 3.298 3.417 4.464 879 2HB LEU 114 1HB LEU 114 4.575 3.400 5.681 880 HG LEU 114 HG LEU 114 3.035 5.935 5.345 881 1HD1 LEU 114 1HD1 LEU 114 1.917 3.343 6.354 882 2HD1 LEU 114 2HD1 LEU 114 1.120 4.622 5.439 883 3HD1 LEU 114 3HD1 LEU 114 1.453 4.843 7.157 884 1HD2 LEU 114 1HD2 LEU 114 4.887 5.777 6.946 885 2HD2 LEU 114 2HD2 LEU 114 4.128 4.382 7.712 886 3HD2 LEU 114 3HD2 LEU 114 3.362 5.967 7.810 887 H VAL 115 HN VAL 115 7.195 4.908 3.001 888 HA VAL 115 HA VAL 115 6.685 2.500 1.304 889 HB VAL 115 HB VAL 115 7.059 4.589 0.046 890 1HG1 VAL 115 1HG1 VAL 115 8.417 5.836 1.601 891 2HG1 VAL 115 2HG1 VAL 115 9.379 5.587 0.144 892 3HG1 VAL 115 3HG1 VAL 115 9.674 4.600 1.575 893 1HG2 VAL 115 1HG2 VAL 115 9.300 2.549 -0.081 894 2HG2 VAL 115 2HG2 VAL 115 9.022 3.778 -1.315 895 3HG2 VAL 115 3HG2 VAL 115 7.802 2.540 -1.012 896 H THR 116 HN THR 116 8.202 0.853 1.238 897 HA THR 116 HA THR 116 10.363 0.990 3.301 898 HB THR 116 HB THR 116 9.381 -1.576 2.073 899 HG1 THR 116 HG1 THR 116 7.769 -1.662 3.610 900 1HG2 THR 116 1HG2 THR 116 9.844 -2.137 4.629 901 2HG2 THR 116 2HG2 THR 116 10.827 -0.676 4.526 902 3HG2 THR 116 3HG2 THR 116 11.164 -2.042 3.463 903 H ARG 117 HN ARG 117 12.390 1.167 2.449 904 HA ARG 117 HA ARG 117 12.782 0.411 -0.405 905 1HB ARG 117 2HB ARG 117 14.140 2.308 1.479 906 2HB ARG 117 1HB ARG 117 15.060 1.650 0.126 907 1HG ARG 117 2HG ARG 117 13.134 2.375 -1.377 908 2HG ARG 117 1HG ARG 117 12.503 3.264 0.010 909 1HD ARG 117 2HD ARG 117 15.085 4.100 0.046 910 2HD ARG 117 1HD ARG 117 14.869 3.840 -1.684 911 HE ARG 117 HE ARG 117 13.496 5.867 -0.047 912 1HH1 ARG 117 1HH2 ARG 117 13.654 4.087 -3.030 913 2HH1 ARG 117 2HH2 ARG 117 12.749 5.266 -3.913 914 1HH2 ARG 117 1HH1 ARG 117 12.312 7.382 -1.210 915 2HH2 ARG 117 2HH1 ARG 117 11.992 7.118 -2.892 916 H LEU 118 HN LEU 118 13.621 -1.586 -0.725 917 HA LEU 118 HA LEU 118 15.088 -2.955 1.420 918 1HB LEU 118 2HB LEU 118 14.208 -3.742 -1.358 919 2HB LEU 118 1HB LEU 118 15.296 -4.761 -0.419 920 HG LEU 118 HG LEU 118 13.601 -4.698 1.452 921 1HD1 LEU 118 1HD1 LEU 118 12.327 -2.749 0.932 922 2HD1 LEU 118 2HD1 LEU 118 11.245 -4.110 0.635 923 3HD1 LEU 118 3HD1 LEU 118 12.030 -3.295 -0.719 924 1HD2 LEU 118 1HD2 LEU 118 13.823 -6.497 -0.407 925 2HD2 LEU 118 2HD2 LEU 118 12.359 -5.778 -1.079 926 3HD2 LEU 118 3HD2 LEU 118 12.337 -6.476 0.541 927 H ALA 119 HN ALA 119 17.274 -3.814 1.090 928 HA ALA 119 HA ALA 119 18.993 -1.843 -0.245 929 1HB ALA 119 1HB ALA 119 19.420 -2.995 2.036 930 2HB ALA 119 2HB ALA 119 20.783 -2.840 0.927 931 3HB ALA 119 3HB ALA 119 19.941 -4.382 1.078 932 H GLY 120 HN GLY 120 17.889 -5.138 -0.801 933 1HA GLY 120 2HA GLY 120 19.873 -5.695 -2.863 934 2HA GLY 120 1HA GLY 120 18.443 -6.667 -2.512 935 H SER 121 HN SER 121 18.959 -6.338 -5.135 936 HA SER 121 HA SER 121 16.964 -4.279 -5.990 937 1HB SER 121 2HB SER 121 19.281 -3.678 -6.676 938 2HB SER 121 1HB SER 121 19.407 -5.214 -7.528 939 HG SER 121 HG SER 121 17.725 -4.561 -8.865 940 H PHE 122 HN PHE 122 15.167 -5.362 -6.637 941 HA PHE 122 HA PHE 122 15.517 -8.022 -7.949 942 1HB PHE 122 2HB PHE 122 13.015 -6.829 -6.718 943 2HB PHE 122 1HB PHE 122 13.215 -8.482 -7.300 944 HD1 PHE 122 HD1 PHE 122 14.506 -10.119 -6.046 945 HD2 PHE 122 HD2 PHE 122 14.133 -6.069 -4.664 946 HE1 PHE 122 HE1 PHE 122 15.400 -10.792 -3.832 947 HE2 PHE 122 HE2 PHE 122 15.027 -6.742 -2.450 948 HZ PHE 122 HZ PHE 122 15.660 -9.103 -2.035 949 H GLU 123 HN GLU 123 14.028 -8.475 -9.780 950 HA GLU 123 HA GLU 123 13.459 -5.978 -11.325 951 1HB GLU 123 2HB GLU 123 13.674 -7.457 -13.353 952 2HB GLU 123 1HB GLU 123 15.167 -7.281 -12.431 953 1HG GLU 123 HG2 GLU 123 14.798 -9.428 -11.339 954 2HG GLU 123 HG1 GLU 123 13.230 -9.594 -12.130 955 H GLY 124 HN GLY 124 11.529 -5.978 -12.641 956 1HA GLY 124 2HA GLY 124 9.584 -8.115 -12.523 957 2HA GLY 124 1HA GLY 124 9.161 -6.804 -11.418 958 H ASP 125 HN ASP 125 7.256 -6.365 -12.842 959 HA ASP 125 HA ASP 125 8.074 -4.735 -15.198 960 1HB ASP 125 2HB ASP 125 6.559 -7.162 -15.229 961 2HB ASP 125 1HB ASP 125 5.469 -5.838 -15.639 962 H THR 126 HN THR 126 6.498 -4.873 -12.241 963 HA THR 126 HA THR 126 4.739 -2.560 -12.950 964 HB THR 126 HB THR 126 4.357 -4.051 -10.392 965 HG1 THR 126 HG1 THR 126 3.376 -4.982 -12.880 966 1HG2 THR 126 1HG2 THR 126 2.215 -3.217 -10.535 967 2HG2 THR 126 2HG2 THR 126 2.189 -3.296 -12.297 968 3HG2 THR 126 3HG2 THR 126 3.058 -1.994 -11.485 969 H LYS 127 HN LYS 127 5.562 -0.665 -12.240 970 HA LYS 127 HA LYS 127 7.268 -0.711 -9.782 971 1HB LYS 127 2HB LYS 127 7.425 0.988 -12.279 972 2HB LYS 127 1HB LYS 127 8.253 1.431 -10.785 973 1HG LYS 127 2HG LYS 127 9.450 -0.716 -10.793 974 2HG LYS 127 1HG LYS 127 8.606 -1.193 -12.266 975 1HD LYS 127 2HD LYS 127 9.978 1.431 -12.381 976 2HD LYS 127 1HD LYS 127 11.038 0.027 -12.258 977 1HE LYS 127 2HE LYS 127 9.609 -0.990 -14.150 978 2HE LYS 127 1HE LYS 127 8.994 0.645 -14.393 979 1HZ LYS 127 1HE LYS 127 11.668 -0.428 -14.870 980 2HZ LYS 127 2HE LYS 127 11.561 1.177 -14.323 981 3HZ LYS 127 3HE LYS 127 10.784 0.712 -15.760 982 H MET 128 HN MET 128 7.022 1.100 -8.338 983 HA MET 128 HA MET 128 4.316 1.955 -7.965 984 1HB MET 128 2HB MET 128 6.391 1.846 -6.309 985 2HB MET 128 1HB MET 128 6.577 3.530 -6.798 986 1HG MET 128 2HG MET 128 3.805 2.740 -6.155 987 2HG MET 128 1HG MET 128 4.917 2.686 -4.789 988 1HE MET 128 1HE MET 128 3.011 3.996 -4.167 989 2HE MET 128 2HE MET 128 2.621 5.650 -4.631 990 3HE MET 128 3HE MET 128 3.865 5.353 -3.420 991 H ILE 129 HN ILE 129 3.523 4.188 -8.041 992 HA ILE 129 HA ILE 129 4.232 5.503 -10.533 993 HB ILE 129 HB ILE 129 2.499 7.148 -9.852 994 1HG1 ILE 129 2HG1 ILE 129 1.770 5.590 -7.439 995 2HG1 ILE 129 1HG1 ILE 129 3.242 6.551 -7.289 996 1HG2 ILE 129 1HG2 ILE 129 0.618 5.571 -9.790 997 2HG2 ILE 129 2HG2 ILE 129 1.709 4.267 -9.325 998 3HG2 ILE 129 3HG2 ILE 129 1.848 5.007 -10.920 999 1HD1 ILE 129 1HD1 ILE 129 0.964 7.676 -6.707 1000 2HD1 ILE 129 2HD1 ILE 129 0.743 7.763 -8.454 1001 3HD1 ILE 129 3HD1 ILE 129 2.115 8.573 -7.698 1002 HA PRO 130 HA PRO 130 7.059 8.593 -9.070 1003 1HB PRO 130 2HB PRO 130 6.082 10.777 -10.562 1004 2HB PRO 130 1HB PRO 130 7.297 9.603 -11.085 1005 1HG PRO 130 2HG PRO 130 4.654 9.941 -12.088 1006 2HG PRO 130 1HG PRO 130 5.850 8.726 -12.561 1007 1HD PRO 130 2HD PRO 130 3.494 8.429 -10.852 1008 2HD PRO 130 1HD PRO 130 4.480 7.179 -11.627 1009 H LEU 131 HN LEU 131 6.655 9.144 -6.932 1010 HA LEU 131 HA LEU 131 4.321 10.855 -6.303 1011 1HB LEU 131 2HB LEU 131 6.234 9.185 -4.719 1012 2HB LEU 131 1HB LEU 131 5.431 10.533 -3.910 1013 HG LEU 131 HG LEU 131 3.946 8.443 -5.518 1014 1HD1 LEU 131 1HD1 LEU 131 3.278 7.557 -3.253 1015 2HD1 LEU 131 2HD1 LEU 131 4.522 8.588 -2.546 1016 3HD1 LEU 131 3HD1 LEU 131 4.974 7.294 -3.656 1017 1HD2 LEU 131 1HD2 LEU 131 2.644 9.945 -3.333 1018 2HD2 LEU 131 2HD2 LEU 131 2.058 9.591 -4.958 1019 3HD2 LEU 131 3HD2 LEU 131 3.162 10.940 -4.694 1020 H ASN 132 HN ASN 132 4.674 12.814 -4.949 1021 HA ASN 132 HA ASN 132 7.069 14.275 -5.914 1022 1HB ASN 132 2HB ASN 132 4.448 15.019 -5.819 1023 2HB ASN 132 1HB ASN 132 5.041 15.716 -4.311 1024 1HD2 ASN 132 1HD2 ASN 132 5.178 17.925 -4.952 1025 2HD2 ASN 132 2HD2 ASN 132 6.180 18.468 -6.210 1026 H TRP 133 HN TRP 133 8.289 12.856 -4.274 1027 HA TRP 133 HA TRP 133 8.058 13.070 -1.482 1028 1HB TRP 133 2HB TRP 133 10.653 13.045 -3.054 1029 2HB TRP 133 1HB TRP 133 10.450 12.564 -1.369 1030 HD1 TRP 133 HD1 TRP 133 10.090 11.316 -4.885 1031 HE1 TRP 133 HE1 TRP 133 9.256 8.876 -4.862 1032 HE3 TRP 133 HE3 TRP 133 8.869 10.847 0.050 1033 HZ2 TRP 133 HZ2 TRP 133 8.211 6.978 -2.996 1034 HZ3 TRP 133 HZ3 TRP 133 7.958 8.715 0.923 1035 HH2 TRP 133 HH2 TRP 133 7.627 6.782 -0.592 1036 H ASP 134 HN ASP 134 9.219 15.442 -3.783 1037 HA ASP 134 HA ASP 134 10.600 17.162 -1.965 1038 1HB ASP 134 2HB ASP 134 9.527 17.331 -4.703 1039 2HB ASP 134 1HB ASP 134 9.556 18.874 -3.849 1040 H ASP 135 HN ASP 135 7.178 16.706 -2.624 1041 HA ASP 135 HA ASP 135 6.455 19.156 -1.143 1042 1HB ASP 135 2HB ASP 135 5.158 17.380 -3.030 1043 2HB ASP 135 1HB ASP 135 4.148 17.598 -1.601 1044 H PHE 136 HN PHE 136 7.241 15.972 -0.365 1045 HA PHE 136 HA PHE 136 5.627 16.130 2.151 1046 1HB PHE 136 2HB PHE 136 6.624 13.736 0.592 1047 2HB PHE 136 1HB PHE 136 6.004 13.616 2.238 1048 HD1 PHE 136 HD1 PHE 136 5.115 14.843 -1.178 1049 HD2 PHE 136 HD2 PHE 136 3.684 13.504 2.644 1050 HE1 PHE 136 HE1 PHE 136 2.796 14.822 -2.053 1051 HE2 PHE 136 HE2 PHE 136 1.365 13.483 1.768 1052 HZ PHE 136 HZ PHE 136 0.921 14.142 -0.581 1053 H THR 137 HN THR 137 6.737 15.119 4.061 1054 HA THR 137 HA THR 137 9.710 15.291 3.887 1055 HB THR 137 HB THR 137 8.181 16.436 6.224 1056 HG1 THR 137 HG1 THR 137 8.492 18.459 5.200 1057 1HG2 THR 137 1HG2 THR 137 10.476 17.828 6.031 1058 2HG2 THR 137 2HG2 THR 137 10.993 16.327 5.264 1059 3HG2 THR 137 3HG2 THR 137 10.364 16.305 6.912 1060 H LYS 138 HN LYS 138 10.704 13.615 4.951 1061 HA LYS 138 HA LYS 138 9.091 11.514 6.114 1062 1HB LYS 138 2HB LYS 138 11.339 11.286 4.891 1063 2HB LYS 138 1HB LYS 138 12.085 11.827 6.393 1064 1HG LYS 138 2HG LYS 138 10.085 9.659 6.673 1065 2HG LYS 138 1HG LYS 138 11.573 9.219 5.835 1066 1HD LYS 138 2HD LYS 138 11.493 10.620 8.521 1067 2HD LYS 138 1HD LYS 138 11.688 8.879 8.320 1068 1HE LYS 138 2HE LYS 138 13.845 9.070 7.596 1069 2HE LYS 138 1HE LYS 138 13.521 10.556 6.705 1070 1HZ LYS 138 1HE LYS 138 13.557 11.799 8.724 1071 2HZ LYS 138 2HE LYS 138 14.972 10.859 8.667 1072 3HZ LYS 138 3HE LYS 138 13.677 10.392 9.663 1073 H VAL 139 HN VAL 139 8.278 11.584 8.151 1074 HA VAL 139 HA VAL 139 9.598 13.338 10.157 1075 HB VAL 139 HB VAL 139 7.476 12.989 11.451 1076 1HG1 VAL 139 1HG1 VAL 139 6.594 13.854 8.740 1077 2HG1 VAL 139 2HG1 VAL 139 7.965 14.712 9.442 1078 3HG1 VAL 139 3HG1 VAL 139 6.421 14.672 10.293 1079 1HG2 VAL 139 1HG2 VAL 139 6.151 11.897 9.024 1080 2HG2 VAL 139 2HG2 VAL 139 5.812 11.587 10.727 1081 3HG2 VAL 139 3HG2 VAL 139 7.155 10.766 9.931 1082 H SER 140 HN SER 140 8.993 9.973 9.444 1083 HA SER 140 HA SER 140 10.540 9.257 11.878 1084 1HB SER 140 2HB SER 140 7.712 8.568 11.330 1085 2HB SER 140 1HB SER 140 8.725 7.228 11.858 1086 HG SER 140 HG SER 140 8.359 9.736 13.144 1087 H SER 141 HN SER 141 11.943 7.579 11.506 1088 HA SER 141 HA SER 141 11.510 5.783 9.207 1089 1HB SER 141 2HB SER 141 13.422 8.007 9.192 1090 2HB SER 141 1HB SER 141 14.169 6.452 8.836 1091 HG SER 141 HG SER 141 13.397 7.225 6.922 1092 H ARG 142 HN ARG 142 12.350 3.764 9.624 1093 HA ARG 142 HA ARG 142 14.318 3.508 11.856 1094 1HB ARG 142 2HB ARG 142 11.804 2.888 12.352 1095 2HB ARG 142 1HB ARG 142 12.175 1.443 11.411 1096 1HG ARG 142 2HG ARG 142 12.966 0.584 13.350 1097 2HG ARG 142 1HG ARG 142 14.358 1.636 13.096 1098 1HD ARG 142 2HD ARG 142 13.434 1.978 15.347 1099 2HD ARG 142 1HD ARG 142 13.221 3.431 14.370 1100 HE ARG 142 HE ARG 142 10.901 1.738 14.158 1101 1HH1 ARG 142 1HH2 ARG 142 12.576 3.925 16.269 1102 2HH1 ARG 142 2HH2 ARG 142 11.138 4.410 17.101 1103 1HH2 ARG 142 1HH1 ARG 142 9.037 2.376 15.245 1104 2HH2 ARG 142 2HH1 ARG 142 9.144 3.538 16.525 1105 H THR 143 HN THR 143 16.048 2.173 11.286 1106 HA THR 143 HA THR 143 15.783 0.726 8.688 1107 HB THR 143 HB THR 143 18.392 1.365 10.058 1108 HG1 THR 143 HG1 THR 143 18.364 3.271 8.722 1109 1HG2 THR 143 1HG2 THR 143 19.055 0.182 8.245 1110 2HG2 THR 143 2HG2 THR 143 18.659 1.634 7.325 1111 3HG2 THR 143 3HG2 THR 143 17.479 0.331 7.466 1112 H VAL 144 HN VAL 144 15.941 -1.478 8.712 1113 HA VAL 144 HA VAL 144 16.995 -2.745 11.205 1114 HB VAL 144 HB VAL 144 14.536 -2.926 11.119 1115 1HG1 VAL 144 1HG1 VAL 144 13.395 -3.982 9.307 1116 2HG1 VAL 144 2HG1 VAL 144 14.908 -4.528 8.582 1117 3HG1 VAL 144 3HG1 VAL 144 14.492 -2.815 8.568 1118 1HG2 VAL 144 1HG2 VAL 144 14.965 -4.889 12.148 1119 2HG2 VAL 144 2HG2 VAL 144 16.403 -5.152 11.162 1120 3HG2 VAL 144 3HG2 VAL 144 14.824 -5.674 10.576 1121 H GLU 145 HN GLU 145 18.618 -4.148 10.837 1122 HA GLU 145 HA GLU 145 19.329 -4.824 8.058 1123 1HB GLU 145 2HB GLU 145 21.411 -5.684 9.028 1124 2HB GLU 145 1HB GLU 145 21.080 -4.071 9.657 1125 1HG GLU 145 HG2 GLU 145 19.804 -5.499 11.538 1126 2HG GLU 145 HG1 GLU 145 20.995 -6.705 11.053 1127 H ASP 146 HN ASP 146 19.884 -7.108 7.528 1128 HA ASP 146 HA ASP 146 18.444 -9.118 9.179 1129 1HB ASP 146 2HB ASP 146 17.317 -8.055 6.871 1130 2HB ASP 146 1HB ASP 146 18.062 -9.551 6.306 1131 H THR 147 HN THR 147 19.126 -11.339 8.659 1132 HA THR 147 HA THR 147 21.942 -11.602 8.290 1133 HB THR 147 HB THR 147 21.331 -14.072 7.868 1134 HG1 THR 147 HG1 THR 147 19.312 -14.175 7.251 1135 1HG2 THR 147 1HG2 THR 147 20.117 -12.867 10.360 1136 2HG2 THR 147 2HG2 THR 147 21.860 -12.955 10.103 1137 3HG2 THR 147 3HG2 THR 147 20.905 -14.436 10.186 1138 H ASN 148 HN ASN 148 19.286 -11.514 6.049 1139 HA ASN 148 HA ASN 148 20.984 -12.395 3.790 1140 1HB ASN 148 2HB ASN 148 18.393 -12.860 4.219 1141 2HB ASN 148 1HB ASN 148 18.233 -11.318 3.382 1142 1HD2 ASN 148 1HD2 ASN 148 20.151 -14.358 2.982 1143 2HD2 ASN 148 2HD2 ASN 148 19.938 -14.437 1.300 1144 HA PRO 149 HA PRO 149 22.500 -8.230 3.127 1145 1HB PRO 149 2HB PRO 149 22.954 -8.958 0.359 1146 2HB PRO 149 1HB PRO 149 24.140 -8.661 1.636 1147 1HG PRO 149 2HG PRO 149 23.303 -11.170 0.529 1148 2HG PRO 149 1HG PRO 149 24.537 -10.865 1.759 1149 1HD PRO 149 2HD PRO 149 22.051 -12.108 2.168 1150 2HD PRO 149 1HD PRO 149 23.158 -11.531 3.422 1151 H ALA 150 HN ALA 150 20.451 -9.789 0.641 1152 HA ALA 150 HA ALA 150 19.539 -7.223 -0.387 1153 1HB ALA 150 1HB ALA 150 19.076 -10.085 -0.999 1154 2HB ALA 150 2HB ALA 150 19.351 -8.727 -2.091 1155 3HB ALA 150 3HB ALA 150 17.751 -8.992 -1.400 1156 H LEU 151 HN LEU 151 18.326 -9.507 2.025 1157 HA LEU 151 HA LEU 151 15.653 -8.382 2.053 1158 1HB LEU 151 2HB LEU 151 17.086 -10.034 4.148 1159 2HB LEU 151 1HB LEU 151 15.360 -9.678 4.131 1160 HG LEU 151 HG LEU 151 16.863 -11.160 1.950 1161 1HD1 LEU 151 1HD1 LEU 151 14.799 -12.719 3.123 1162 2HD1 LEU 151 2HD1 LEU 151 15.735 -12.036 4.452 1163 3HD1 LEU 151 3HD1 LEU 151 16.538 -12.996 3.210 1164 1HD2 LEU 151 1HD2 LEU 151 13.923 -10.499 2.321 1165 2HD2 LEU 151 2HD2 LEU 151 14.544 -11.615 1.106 1166 3HD2 LEU 151 3HD2 LEU 151 14.980 -9.908 1.039 1167 H THR 152 HN THR 152 18.509 -6.956 2.942 1168 HA THR 152 HA THR 152 17.752 -5.764 5.472 1169 HB THR 152 HB THR 152 19.651 -4.668 3.369 1170 HG1 THR 152 HG1 THR 152 20.428 -6.633 3.870 1171 1HG2 THR 152 1HG2 THR 152 18.737 -3.395 5.564 1172 2HG2 THR 152 2HG2 THR 152 20.378 -3.184 4.953 1173 3HG2 THR 152 3HG2 THR 152 20.069 -4.297 6.286 1174 H HIS 153 HN HIS 153 16.710 -3.692 5.785 1175 HA HIS 153 HA HIS 153 16.047 -2.044 3.482 1176 1HB HIS 153 2HB HIS 153 13.562 -2.379 3.655 1177 2HB HIS 153 1HB HIS 153 14.433 -3.777 3.026 1178 HD1 HIS 153 HD1 HIS 153 15.143 -5.570 5.045 1179 HD2 HIS 153 HD2 HIS 153 11.898 -3.049 5.746 1180 HE1 HIS 153 HE1 HIS 153 13.813 -6.622 6.926 1181 H THR 154 HN THR 154 14.460 -0.287 4.104 1182 HA THR 154 HA THR 154 14.557 0.315 7.025 1183 HB THR 154 HB THR 154 15.072 2.359 4.848 1184 HG1 THR 154 HG1 THR 154 16.750 0.851 4.872 1185 1HG2 THR 154 1HG2 THR 154 15.751 3.784 6.645 1186 2HG2 THR 154 2HG2 THR 154 15.729 2.449 7.795 1187 3HG2 THR 154 3HG2 THR 154 14.218 3.066 7.135 1188 H TYR 155 HN TYR 155 12.839 1.801 7.697 1189 HA TYR 155 HA TYR 155 10.522 1.771 5.807 1190 1HB TYR 155 2HB TYR 155 10.595 1.979 8.836 1191 2HB TYR 155 1HB TYR 155 9.129 2.029 7.858 1192 HD1 TYR 155 HD1 TYR 155 8.599 0.027 6.358 1193 HD2 TYR 155 HD2 TYR 155 11.574 -0.084 9.454 1194 HE1 TYR 155 HE1 TYR 155 8.518 -2.451 6.346 1195 HE2 TYR 155 HE2 TYR 155 11.494 -2.563 9.442 1196 HH TYR 155 HH TYR 155 10.846 -4.372 7.739 1197 H GLU 156 HN GLU 156 9.937 3.761 4.988 1198 HA GLU 156 HA GLU 156 10.878 6.168 6.492 1199 1HB GLU 156 2HB GLU 156 10.352 5.876 3.519 1200 2HB GLU 156 1HB GLU 156 10.947 7.326 4.328 1201 1HG GLU 156 HG2 GLU 156 13.003 6.264 4.927 1202 2HG GLU 156 HG1 GLU 156 12.387 4.671 4.486 1203 H VAL 157 HN VAL 157 9.267 7.358 7.355 1204 HA VAL 157 HA VAL 157 6.520 7.092 6.196 1205 HB VAL 157 HB VAL 157 7.275 8.095 8.957 1206 1HG1 VAL 157 1HG1 VAL 157 4.769 7.693 7.438 1207 2HG1 VAL 157 2HG1 VAL 157 5.106 8.774 8.789 1208 3HG1 VAL 157 3HG1 VAL 157 4.745 7.075 9.090 1209 1HG2 VAL 157 1HG2 VAL 157 6.354 5.324 8.125 1210 2HG2 VAL 157 2HG2 VAL 157 6.649 5.865 9.777 1211 3HG2 VAL 157 3HG2 VAL 157 7.990 5.737 8.638 1212 H TRP 158 HN TRP 158 5.753 8.900 5.158 1213 HA TRP 158 HA TRP 158 7.115 11.495 5.767 1214 1HB TRP 158 2HB TRP 158 5.796 10.598 3.189 1215 2HB TRP 158 1HB TRP 158 6.543 12.169 3.462 1216 HD1 TRP 158 HD1 TRP 158 7.545 8.434 3.625 1217 HE1 TRP 158 HE1 TRP 158 10.004 8.237 2.877 1218 HE3 TRP 158 HE3 TRP 158 8.650 13.368 2.915 1219 HZ2 TRP 158 HZ2 TRP 158 12.156 9.947 2.084 1220 HZ3 TRP 158 HZ3 TRP 158 10.908 14.056 2.163 1221 HH2 TRP 158 HH2 TRP 158 12.662 12.353 1.747 1222 H GLN 159 HN GLN 159 5.739 13.419 5.483 1223 HA GLN 159 HA GLN 159 2.818 12.926 5.796 1224 1HB GLN 159 2HB GLN 159 4.630 14.475 7.659 1225 2HB GLN 159 1HB GLN 159 2.904 14.824 7.557 1226 1HG GLN 159 2HG GLN 159 3.611 11.959 7.838 1227 2HG GLN 159 1HG GLN 159 3.953 12.969 9.243 1228 1HE2 GLN 159 1HE2 GLN 159 2.213 13.107 10.655 1229 2HE2 GLN 159 2HE2 GLN 159 0.578 13.008 10.207 1230 H LYS 160 HN LYS 160 1.571 14.584 4.758 1231 HA LYS 160 HA LYS 160 3.049 16.272 2.913 1232 1HB LYS 160 2HB LYS 160 0.692 15.146 2.652 1233 2HB LYS 160 1HB LYS 160 0.116 16.587 3.490 1234 1HG LYS 160 2HG LYS 160 1.999 17.337 1.427 1235 2HG LYS 160 1HG LYS 160 0.719 16.337 0.740 1236 1HD LYS 160 2HD LYS 160 -0.705 18.005 2.400 1237 2HD LYS 160 1HD LYS 160 0.582 19.069 1.834 1238 1HE LYS 160 2HE LYS 160 -0.639 17.384 -0.264 1239 2HE LYS 160 1HE LYS 160 -1.719 18.585 0.443 1240 1HZ LYS 160 1HE LYS 160 0.745 18.970 -1.090 1241 2HZ LYS 160 2HE LYS 160 0.372 20.106 0.117 1242 3HZ LYS 160 3HE LYS 160 -0.716 19.829 -1.158 1243 H LYS 161 HN LYS 161 3.653 18.360 3.237 1244 HA LYS 161 HA LYS 161 3.061 19.615 5.826 1245 1HB LYS 161 2HB LYS 161 4.671 20.626 3.462 1246 2HB LYS 161 1HB LYS 161 4.622 21.365 5.062 1247 1HG LYS 161 2HG LYS 161 5.235 18.507 5.181 1248 2HG LYS 161 1HG LYS 161 6.416 19.407 4.230 1249 1HD LYS 161 2HD LYS 161 7.300 19.669 6.361 1250 2HD LYS 161 1HD LYS 161 6.282 21.105 6.254 1251 1HE LYS 161 2HE LYS 161 4.490 19.243 7.164 1252 2HE LYS 161 1HE LYS 161 5.977 18.706 7.945 1253 1HZ LYS 161 1HE LYS 161 4.527 21.237 8.246 1254 2HZ LYS 161 2HE LYS 161 6.214 21.240 8.447 1255 3HZ LYS 161 3HE LYS 161 5.239 20.255 9.430 1256 H ALA 162 HN ALA 162 2.299 21.904 5.883 1257 HA ALA 162 HA ALA 162 0.031 22.247 4.004 1258 1HB ALA 162 1HB ALA 162 -0.847 22.697 6.074 1259 2HB ALA 162 2HB ALA 162 -0.233 24.313 5.726 1260 3HB ALA 162 3HB ALA 162 0.705 23.211 6.734 1261 AH51 NDP 168 AH51 NDP 168 -5.817 -0.851 -9.470 1262 AH52 NDP 168 AH52 NDP 168 -6.127 -2.268 -8.457 1263 AH4* NDP 168 AH4* NDP 168 -7.527 -3.235 -10.305 1264 AH3* NDP 168 AH3* NDP 168 -6.888 -0.632 -11.708 1265 AHO3 NDP 168 AHO3 NDP 168 -5.878 -2.583 -12.420 1266 AH2* NDP 168 AH2* NDP 168 -9.115 -0.673 -12.582 1267 AH1* NDP 168 AH1* NDP 168 -10.347 -1.374 -10.208 1268 AH8 NDP 168 AH8 NDP 168 -7.318 1.027 -10.393 1269 AH61 NDP 168 AH61 NDP 168 -11.587 5.456 -9.572 1270 AH62 NDP 168 AH62 NDP 168 -9.875 5.118 -9.676 1271 AH2 NDP 168 AH2 NDP 168 -13.708 1.510 -9.808 1272 NH51 NDP 168 NH51 NDP 168 -1.548 -4.883 -9.571 1273 NH52 NDP 168 NH52 NDP 168 -1.370 -3.888 -8.120 1274 NH4* NDP 168 NH4* NDP 168 0.798 -5.618 -9.403 1275 NH3* NDP 168 NH3* NDP 168 -0.813 -6.018 -6.870 1276 NHO3 NDP 168 NHO3 NDP 168 0.048 -7.615 -9.082 1277 NH2* NDP 168 NH2* NDP 168 1.134 -7.089 -5.958 1278 NHO2 NDP 168 NHO2 NDP 168 3.019 -7.403 -7.348 1279 NH1* NDP 168 NH1* NDP 168 2.939 -5.210 -6.921 1280 NH2 NDP 168 NH2 NDP 168 3.459 -3.749 -5.087 1281 NH71 NDP 168 NH71 NDP 168 4.828 -3.012 -4.424 1282 NH72 NDP 168 NH72 NDP 168 5.351 -2.269 -2.931 1283 NH41 NDP 168 NH41 NDP 168 0.380 -2.540 -2.878 1284 NH42 NDP 168 NH42 NDP 168 0.890 -4.054 -2.056 1285 NH5 NDP 168 NH5 NDP 168 -1.178 -4.402 -3.396 1286 NH6 NDP 168 NH6 NDP 168 -0.529 -5.456 -5.613 1287 H1 TRR 170 H1 TRR 170 4.744 -5.372 2.080 1288 1H2 TRR 170 1H2 TRR 170 4.580 -1.913 2.914 1289 2H2 TRR 170 2H2 TRR 170 5.506 -3.340 3.075 1290 1H4 TRR 170 1H4 TRR 170 -0.084 -3.430 -0.241 1291 2H4 TRR 170 2H4 TRR 170 0.467 -1.984 0.473 1292 H6 TRR 170 H6 TRR 170 3.163 -6.678 0.798 1293 1H7 TRR 170 1H7 TRR 170 1.081 -5.582 -1.359 1294 2H7 TRR 170 2H7 TRR 170 -0.121 -5.310 -0.094 1295 H12 TRR 170 H12 TRR 170 1.523 -7.766 -1.955 1296 H16 TRR 170 H16 TRR 170 0.145 -6.906 2.044 1297 1H17 TRR 170 1H17 TRR 170 2.398 -10.778 -3.494 1298 2H17 TRR 170 2H17 TRR 170 2.689 -9.177 -2.833 1299 3H17 TRR 170 3H17 TRR 170 1.107 -9.585 -3.475 1300 1H18 TRR 170 1H18 TRR 170 2.271 -11.364 2.276 1301 2H18 TRR 170 2H18 TRR 170 2.749 -11.800 0.642 1302 3H18 TRR 170 3H18 TRR 170 1.785 -12.913 1.602 1303 1H19 TRR 170 1H19 TRR 170 0.507 -8.071 4.254 1304 2H19 TRR 170 2H19 TRR 170 -0.924 -9.030 4.602 1305 3H19 TRR 170 3H19 TRR 170 -0.990 -7.762 3.388 Start of MODEL 3 1 1H THR 1 1H THR 1 -6.662 10.450 2.961 2 2H THR 1 2H THR 1 -5.063 10.759 3.445 3 3H THR 1 3H THR 1 -6.001 9.614 4.280 4 HA THR 1 HA THR 1 -5.798 8.030 2.668 5 HB THR 1 HB THR 1 -4.891 10.036 0.622 6 HG1 THR 1 HG1 THR 1 -6.815 10.873 1.031 7 1HG2 THR 1 1HG2 THR 1 -4.884 8.212 -0.692 8 2HG2 THR 1 2HG2 THR 1 -6.575 7.902 -0.306 9 3HG2 THR 1 3HG2 THR 1 -5.303 7.227 0.709 10 H ALA 2 HN ALA 2 -3.981 6.827 2.835 11 HA ALA 2 HA ALA 2 -1.364 8.267 2.756 12 1HB ALA 2 1HB ALA 2 -2.128 5.955 4.564 13 2HB ALA 2 2HB ALA 2 -1.943 7.632 5.074 14 3HB ALA 2 3HB ALA 2 -0.544 6.726 4.496 15 H PHE 3 HN PHE 3 0.414 6.986 1.945 16 HA PHE 3 HA PHE 3 -0.489 4.739 0.191 17 1HB PHE 3 2HB PHE 3 1.704 6.787 -0.011 18 2HB PHE 3 1HB PHE 3 1.880 5.245 -0.843 19 HD1 PHE 3 HD1 PHE 3 -1.260 7.195 -0.256 20 HD2 PHE 3 HD2 PHE 3 1.632 5.826 -3.101 21 HE1 PHE 3 HE1 PHE 3 -2.691 8.012 -2.101 22 HE2 PHE 3 HE2 PHE 3 0.203 6.641 -4.952 23 HZ PHE 3 HZ PHE 3 -1.960 7.736 -4.451 24 H LEU 4 HN LEU 4 0.325 2.683 0.654 25 HA LEU 4 HA LEU 4 2.691 2.563 2.479 26 1HB LEU 4 2HB LEU 4 0.806 2.145 3.903 27 2HB LEU 4 1HB LEU 4 0.053 1.094 2.707 28 HG LEU 4 HG LEU 4 1.887 -0.539 2.983 29 1HD1 LEU 4 1HD1 LEU 4 3.174 1.690 4.227 30 2HD1 LEU 4 2HD1 LEU 4 3.844 0.096 3.895 31 3HD1 LEU 4 3HD1 LEU 4 3.031 0.409 5.428 32 1HD2 LEU 4 1HD2 LEU 4 0.040 -1.006 4.373 33 2HD2 LEU 4 2HD2 LEU 4 0.346 0.393 5.401 34 3HD2 LEU 4 3HD2 LEU 4 1.402 -1.016 5.493 35 H TRP 5 HN TRP 5 4.108 1.901 0.794 36 HA TRP 5 HA TRP 5 3.520 -0.826 -0.248 37 1HB TRP 5 2HB TRP 5 4.177 -0.272 -2.472 38 2HB TRP 5 1HB TRP 5 3.031 0.969 -1.979 39 HD1 TRP 5 HD1 TRP 5 6.537 0.473 -3.163 40 HE1 TRP 5 HE1 TRP 5 7.758 2.742 -3.271 41 HE3 TRP 5 HE3 TRP 5 3.188 3.400 -0.646 42 HZ2 TRP 5 HZ2 TRP 5 7.366 5.441 -2.405 43 HZ3 TRP 5 HZ3 TRP 5 3.642 5.813 -0.302 44 HH2 TRP 5 HH2 TRP 5 5.721 6.834 -1.177 45 H ALA 6 HN ALA 6 5.651 -1.636 -1.409 46 HA ALA 6 HA ALA 6 8.050 -0.776 0.132 47 1HB ALA 6 1HB ALA 6 6.772 -3.492 0.090 48 2HB ALA 6 2HB ALA 6 7.517 -2.632 1.438 49 3HB ALA 6 3HB ALA 6 8.529 -3.376 0.199 50 H GLN 7 HN GLN 7 9.746 -0.540 -1.236 51 HA GLN 7 HA GLN 7 9.741 -2.133 -3.762 52 1HB GLN 7 2HB GLN 7 10.536 -0.122 -4.983 53 2HB GLN 7 1HB GLN 7 8.924 0.109 -4.310 54 1HG GLN 7 2HG GLN 7 9.946 1.250 -2.342 55 2HG GLN 7 1HG GLN 7 11.527 1.098 -3.110 56 1HE2 GLN 7 1HE2 GLN 7 12.125 2.868 -4.363 57 2HE2 GLN 7 2HE2 GLN 7 11.047 3.976 -5.064 58 H ASP 8 HN ASP 8 11.896 -2.310 -4.754 59 HA ASP 8 HA ASP 8 13.946 -2.697 -2.710 60 1HB ASP 8 2HB ASP 8 15.287 -3.600 -4.590 61 2HB ASP 8 1HB ASP 8 13.682 -4.323 -4.519 62 H ARG 9 HN ARG 9 16.293 -2.065 -4.039 63 HA ARG 9 HA ARG 9 16.613 0.692 -3.437 64 1HB ARG 9 2HB ARG 9 18.795 0.476 -4.665 65 2HB ARG 9 1HB ARG 9 18.537 -0.769 -3.444 66 1HG ARG 9 2HG ARG 9 19.103 -2.184 -5.140 67 2HG ARG 9 1HG ARG 9 17.418 -1.975 -5.611 68 1HD ARG 9 2HD ARG 9 18.049 -1.004 -7.536 69 2HD ARG 9 1HD ARG 9 18.945 0.226 -6.649 70 HE ARG 9 HE ARG 9 20.070 -2.227 -7.831 71 1HH1 ARG 9 1HH1 ARG 9 20.466 0.483 -5.689 72 2HH1 ARG 9 2HH1 ARG 9 22.191 0.387 -5.705 73 1HH2 ARG 9 1HH2 ARG 9 22.314 -2.332 -7.840 74 2HH2 ARG 9 2HH2 ARG 9 23.233 -1.194 -6.911 75 H ASP 10 HN ASP 10 16.146 -0.917 -6.609 76 HA ASP 10 HA ASP 10 16.313 1.547 -8.109 77 1HB ASP 10 2HB ASP 10 15.514 -1.270 -8.654 78 2HB ASP 10 1HB ASP 10 14.882 -0.039 -9.750 79 H GLY 11 HN GLY 11 13.704 -0.217 -6.555 80 1HA GLY 11 2HA GLY 11 11.792 1.122 -5.713 81 2HA GLY 11 1HA GLY 11 11.912 2.097 -7.173 82 H LEU 12 HN LEU 12 12.006 -1.465 -7.042 83 HA LEU 12 HA LEU 12 9.704 -1.500 -8.914 84 1HB LEU 12 2HB LEU 12 11.627 -2.938 -9.463 85 2HB LEU 12 1HB LEU 12 11.488 -3.740 -7.900 86 HG LEU 12 HG LEU 12 9.051 -4.297 -8.639 87 1HD1 LEU 12 1HD1 LEU 12 10.076 -4.251 -11.422 88 2HD1 LEU 12 2HD1 LEU 12 9.627 -2.688 -10.738 89 3HD1 LEU 12 3HD1 LEU 12 8.441 -3.993 -10.813 90 1HD2 LEU 12 1HD2 LEU 12 11.584 -5.504 -9.745 91 2HD2 LEU 12 2HD2 LEU 12 10.010 -6.216 -10.102 92 3HD2 LEU 12 3HD2 LEU 12 10.567 -6.095 -8.432 93 H ILE 13 HN ILE 13 7.781 -2.818 -8.400 94 HA ILE 13 HA ILE 13 7.528 -3.470 -5.515 95 HB ILE 13 HB ILE 13 5.036 -2.654 -5.928 96 1HG1 ILE 13 2HG1 ILE 13 6.149 -0.395 -7.421 97 2HG1 ILE 13 1HG1 ILE 13 6.171 -1.886 -8.360 98 1HG2 ILE 13 1HG2 ILE 13 6.808 -0.326 -5.571 99 2HG2 ILE 13 2HG2 ILE 13 7.210 -1.712 -4.556 100 3HG2 ILE 13 3HG2 ILE 13 5.598 -1.000 -4.479 101 1HD1 ILE 13 1HD1 ILE 13 4.017 -0.411 -8.410 102 2HD1 ILE 13 2HD1 ILE 13 3.704 -1.112 -6.822 103 3HD1 ILE 13 3HD1 ILE 13 3.845 -2.158 -8.235 104 H GLY 14 HN GLY 14 5.584 -3.628 -8.515 105 1HA GLY 14 2HA GLY 14 4.692 -6.329 -7.768 106 2HA GLY 14 1HA GLY 14 4.103 -5.386 -9.135 107 H LYS 15 HN LYS 15 5.202 -8.197 -8.872 108 HA LYS 15 HA LYS 15 7.029 -7.992 -11.213 109 1HB LYS 15 2HB LYS 15 8.252 -8.339 -8.927 110 2HB LYS 15 1HB LYS 15 7.634 -9.986 -9.043 111 1HG LYS 15 2HG LYS 15 8.867 -8.932 -11.518 112 2HG LYS 15 1HG LYS 15 9.978 -9.167 -10.171 113 1HD LYS 15 2HD LYS 15 8.193 -11.424 -10.332 114 2HD LYS 15 1HD LYS 15 8.931 -11.148 -11.910 115 1HE LYS 15 2HE LYS 15 11.059 -10.794 -10.179 116 2HE LYS 15 1HE LYS 15 10.156 -12.106 -9.423 117 1HZ LYS 15 1HE LYS 15 11.241 -13.374 -10.890 118 2HZ LYS 15 2HE LYS 15 11.629 -12.068 -11.904 119 3HZ LYS 15 3HE LYS 15 10.104 -12.809 -12.015 120 H ASP 16 HN ASP 16 5.215 -8.774 -12.496 121 HA ASP 16 HA ASP 16 3.880 -10.422 -13.437 122 1HB ASP 16 2HB ASP 16 6.044 -12.096 -12.145 123 2HB ASP 16 1HB ASP 16 4.795 -12.778 -13.184 124 H GLY 17 HN GLY 17 2.623 -9.463 -11.186 125 1HA GLY 17 2HA GLY 17 0.757 -10.223 -9.962 126 2HA GLY 17 1HA GLY 17 1.273 -11.884 -10.240 127 H HIS 18 HN HIS 18 3.175 -12.626 -8.961 128 HA HIS 18 HA HIS 18 2.858 -11.783 -6.178 129 1HB HIS 18 2HB HIS 18 4.407 -13.666 -5.717 130 2HB HIS 18 1HB HIS 18 3.052 -14.158 -6.734 131 HD1 HIS 18 HD1 HIS 18 6.746 -13.457 -6.853 132 HD2 HIS 18 HD2 HIS 18 3.753 -14.837 -9.405 133 HE1 HIS 18 HE1 HIS 18 7.916 -14.335 -8.919 134 H LEU 19 HN LEU 19 4.634 -11.208 -4.796 135 HA LEU 19 HA LEU 19 6.288 -9.113 -5.744 136 1HB LEU 19 2HB LEU 19 6.340 -10.845 -3.282 137 2HB LEU 19 1HB LEU 19 7.641 -9.691 -3.576 138 HG LEU 19 HG LEU 19 4.760 -8.833 -3.747 139 1HD1 LEU 19 1HD1 LEU 19 6.442 -8.637 -1.243 140 2HD1 LEU 19 2HD1 LEU 19 5.325 -9.974 -1.514 141 3HD1 LEU 19 3HD1 LEU 19 4.716 -8.321 -1.423 142 1HD2 LEU 19 1HD2 LEU 19 7.443 -7.514 -3.336 143 2HD2 LEU 19 2HD2 LEU 19 5.942 -6.679 -2.945 144 3HD2 LEU 19 3HD2 LEU 19 6.256 -7.200 -4.601 145 HA PRO 20 HA PRO 20 9.782 -11.221 -7.514 146 1HB PRO 20 2HB PRO 20 11.663 -9.205 -7.000 147 2HB PRO 20 1HB PRO 20 10.599 -9.303 -8.408 148 1HG PRO 20 2HG PRO 20 10.535 -7.387 -6.302 149 2HG PRO 20 1HG PRO 20 9.437 -7.521 -7.680 150 1HD PRO 20 2HD PRO 20 9.019 -8.335 -4.888 151 2HD PRO 20 1HD PRO 20 7.827 -8.070 -6.176 152 H TRP 21 HN TRP 21 10.079 -9.939 -4.242 153 HA TRP 21 HA TRP 21 12.328 -11.843 -3.754 154 1HB TRP 21 2HB TRP 21 12.866 -10.337 -1.816 155 2HB TRP 21 1HB TRP 21 12.978 -9.532 -3.377 156 HD1 TRP 21 HD1 TRP 21 10.510 -9.918 -0.438 157 HE1 TRP 21 HE1 TRP 21 9.012 -7.817 -0.374 158 HE3 TRP 21 HE3 TRP 21 12.185 -7.518 -4.620 159 HZ2 TRP 21 HZ2 TRP 21 8.592 -5.426 -1.897 160 HZ3 TRP 21 HZ3 TRP 21 11.228 -5.332 -5.289 161 HH2 TRP 21 HH2 TRP 21 9.434 -4.284 -3.934 162 H HIS 22 HN HIS 22 12.105 -11.645 -0.907 163 HA HIS 22 HA HIS 22 9.413 -12.600 -0.197 164 1HB HIS 22 2HB HIS 22 10.883 -14.580 -1.052 165 2HB HIS 22 1HB HIS 22 11.755 -14.383 0.470 166 HD1 HIS 22 HD1 HIS 22 10.898 -16.231 1.937 167 HD2 HIS 22 HD2 HIS 22 7.804 -14.274 -0.058 168 HE1 HIS 22 HE1 HIS 22 8.738 -17.189 2.850 169 H LEU 23 HN LEU 23 9.289 -10.905 1.295 170 HA LEU 23 HA LEU 23 11.262 -11.035 3.534 171 1HB LEU 23 2HB LEU 23 11.571 -9.034 2.011 172 2HB LEU 23 1HB LEU 23 9.965 -8.499 2.505 173 HG LEU 23 HG LEU 23 10.800 -8.690 4.916 174 1HD1 LEU 23 1HD1 LEU 23 12.824 -10.075 4.096 175 2HD1 LEU 23 2HD1 LEU 23 13.120 -8.849 5.329 176 3HD1 LEU 23 3HD1 LEU 23 13.528 -8.523 3.643 177 1HD2 LEU 23 1HD2 LEU 23 11.000 -6.618 3.022 178 2HD2 LEU 23 2HD2 LEU 23 12.555 -6.625 3.852 179 3HD2 LEU 23 3HD2 LEU 23 11.064 -6.448 4.776 180 HA PRO 24 HA PRO 24 7.248 -11.702 5.575 181 1HB PRO 24 2HB PRO 24 8.625 -12.573 7.906 182 2HB PRO 24 1HB PRO 24 7.812 -13.582 6.703 183 1HG PRO 24 2HG PRO 24 10.604 -13.358 7.188 184 2HG PRO 24 1HG PRO 24 9.791 -14.311 5.940 185 1HD PRO 24 2HD PRO 24 11.265 -11.823 5.658 186 2HD PRO 24 1HD PRO 24 10.654 -12.905 4.397 187 H ASP 25 HN ASP 25 10.157 -10.111 6.773 188 HA ASP 25 HA ASP 25 8.955 -8.753 8.995 189 1HB ASP 25 2HB ASP 25 11.498 -9.009 8.130 190 2HB ASP 25 1HB ASP 25 11.143 -7.402 7.495 191 H ASP 26 HN ASP 26 8.982 -8.137 5.545 192 HA ASP 26 HA ASP 26 8.086 -5.370 5.789 193 1HB ASP 26 2HB ASP 26 9.280 -5.973 3.782 194 2HB ASP 26 1HB ASP 26 8.178 -7.308 3.458 195 H LEU 27 HN LEU 27 6.535 -8.503 5.021 196 HA LEU 27 HA LEU 27 3.907 -7.577 4.591 197 1HB LEU 27 2HB LEU 27 4.917 -10.132 5.871 198 2HB LEU 27 1HB LEU 27 3.217 -9.851 5.493 199 HG LEU 27 HG LEU 27 5.253 -9.399 3.343 200 1HD1 LEU 27 1HD1 LEU 27 4.290 -12.078 4.367 201 2HD1 LEU 27 2HD1 LEU 27 5.952 -11.558 4.087 202 3HD1 LEU 27 3HD1 LEU 27 4.879 -11.855 2.720 203 1HD2 LEU 27 1HD2 LEU 27 2.348 -9.841 3.640 204 2HD2 LEU 27 2HD2 LEU 27 3.081 -10.710 2.293 205 3HD2 LEU 27 3HD2 LEU 27 3.227 -8.956 2.394 206 H HIS 28 HN HIS 28 5.545 -8.391 7.650 207 HA HIS 28 HA HIS 28 3.323 -7.926 9.377 208 1HB HIS 28 2HB HIS 28 6.286 -7.515 9.895 209 2HB HIS 28 1HB HIS 28 5.040 -7.585 11.141 210 HD1 HIS 28 HD1 HIS 28 3.355 -9.932 10.222 211 HD2 HIS 28 HD2 HIS 28 7.522 -9.987 10.107 212 HE1 HIS 28 HE1 HIS 28 4.039 -12.370 10.211 213 H TYR 29 HN TYR 29 5.758 -5.749 7.999 214 HA TYR 29 HA TYR 29 4.974 -3.404 9.467 215 1HB TYR 29 2HB TYR 29 7.100 -3.727 8.073 216 2HB TYR 29 1HB TYR 29 6.095 -3.426 6.655 217 HD1 TYR 29 HD1 TYR 29 7.054 -1.966 9.962 218 HD2 TYR 29 HD2 TYR 29 5.592 -1.222 5.992 219 HE1 TYR 29 HE1 TYR 29 7.232 0.476 10.355 220 HE2 TYR 29 HE2 TYR 29 5.769 1.221 6.385 221 HH TYR 29 HH TYR 29 7.022 2.759 7.841 222 H PHE 30 HN PHE 30 3.817 -4.948 6.529 223 HA PHE 30 HA PHE 30 2.126 -2.792 5.644 224 1HB PHE 30 2HB PHE 30 2.817 -4.639 4.157 225 2HB PHE 30 1HB PHE 30 1.902 -5.778 5.145 226 HD1 PHE 30 HD1 PHE 30 1.379 -2.471 3.436 227 HD2 PHE 30 HD2 PHE 30 -0.235 -6.327 4.423 228 HE1 PHE 30 HE1 PHE 30 -0.676 -1.940 2.153 229 HE2 PHE 30 HE2 PHE 30 -2.288 -5.796 3.141 230 HZ PHE 30 HZ PHE 30 -2.507 -3.606 2.004 231 H ARG 31 HN ARG 31 1.432 -5.785 7.476 232 HA ARG 31 HA ARG 31 -1.340 -5.199 7.918 233 1HB ARG 31 2HB ARG 31 -0.147 -7.439 8.211 234 2HB ARG 31 1HB ARG 31 0.454 -6.812 9.745 235 1HG ARG 31 2HG ARG 31 -1.994 -6.304 10.319 236 2HG ARG 31 1HG ARG 31 -2.412 -7.322 8.939 237 1HD ARG 31 2HD ARG 31 -2.421 -8.777 10.833 238 2HD ARG 31 1HD ARG 31 -0.915 -9.108 9.979 239 HE ARG 31 HE ARG 31 -0.904 -7.181 12.250 240 1HH1 ARG 31 1HH2 ARG 31 0.088 -10.188 10.801 241 2HH1 ARG 31 2HH2 ARG 31 1.334 -10.466 11.966 242 1HH2 ARG 31 1HH1 ARG 31 0.716 -7.573 13.757 243 2HH2 ARG 31 2HH1 ARG 31 1.687 -9.001 13.627 244 H ALA 32 HN ALA 32 1.412 -4.984 10.184 245 HA ALA 32 HA ALA 32 0.147 -3.708 12.319 246 1HB ALA 32 1HB ALA 32 2.251 -3.331 13.148 247 2HB ALA 32 2HB ALA 32 2.854 -2.693 11.618 248 3HB ALA 32 3HB ALA 32 2.691 -4.434 11.844 249 H GLN 33 HN GLN 33 1.484 -2.184 9.388 250 HA GLN 33 HA GLN 33 0.968 0.518 10.262 251 1HB GLN 33 2HB GLN 33 1.616 -0.769 7.624 252 2HB GLN 33 1HB GLN 33 1.177 0.936 7.700 253 1HG GLN 33 2HG GLN 33 3.341 -0.280 9.431 254 2HG GLN 33 1HG GLN 33 3.669 0.452 7.860 255 1HE2 GLN 33 1HE2 GLN 33 1.920 2.676 7.926 256 2HE2 GLN 33 2HE2 GLN 33 2.389 3.718 9.179 257 H THR 34 HN THR 34 -1.105 -1.923 8.939 258 HA THR 34 HA THR 34 -3.151 0.198 8.395 259 HB THR 34 HB THR 34 -4.219 -1.518 6.882 260 HG1 THR 34 HG1 THR 34 -1.707 -2.794 7.146 261 1HG2 THR 34 1HG2 THR 34 -2.003 -1.379 5.294 262 2HG2 THR 34 2HG2 THR 34 -1.655 -0.109 6.468 263 3HG2 THR 34 3HG2 THR 34 -3.141 -0.050 5.518 264 H VAL 35 HN VAL 35 -2.573 -1.147 10.978 265 HA VAL 35 HA VAL 35 -4.788 -3.016 11.383 266 HB VAL 35 HB VAL 35 -4.108 -2.963 13.755 267 1HG1 VAL 35 1HG1 VAL 35 -2.793 -4.120 11.730 268 2HG1 VAL 35 2HG1 VAL 35 -2.222 -4.231 13.395 269 3HG1 VAL 35 3HG1 VAL 35 -1.514 -3.048 12.296 270 1HG2 VAL 35 1HG2 VAL 35 -2.351 -0.706 12.767 271 2HG2 VAL 35 2HG2 VAL 35 -1.968 -1.607 14.232 272 3HG2 VAL 35 3HG2 VAL 35 -3.475 -0.699 14.125 273 H GLY 36 HN GLY 36 -6.847 -2.311 11.577 274 1HA GLY 36 2HA GLY 36 -8.652 -1.063 12.430 275 2HA GLY 36 1HA GLY 36 -7.503 -0.121 13.374 276 H LYS 37 HN LYS 37 -6.717 -0.306 10.033 277 HA LYS 37 HA LYS 37 -7.907 2.411 9.613 278 1HB LYS 37 2HB LYS 37 -5.257 1.293 8.661 279 2HB LYS 37 1HB LYS 37 -5.927 2.836 8.135 280 1HG LYS 37 2HG LYS 37 -5.946 3.643 10.454 281 2HG LYS 37 1HG LYS 37 -5.322 2.089 11.011 282 1HD LYS 37 2HD LYS 37 -3.259 2.408 9.775 283 2HD LYS 37 1HD LYS 37 -3.887 3.878 9.029 284 1HE LYS 37 2HE LYS 37 -3.963 5.002 11.181 285 2HE LYS 37 1HE LYS 37 -3.503 3.517 12.014 286 1HZ LYS 37 1HE LYS 37 -1.368 3.597 11.152 287 2HZ LYS 37 2HE LYS 37 -1.693 5.229 11.499 288 3HZ LYS 37 3HE LYS 37 -1.791 4.661 9.901 289 H ILE 38 HN ILE 38 -8.508 2.908 7.375 290 HA ILE 38 HA ILE 38 -9.732 0.660 6.010 291 HB ILE 38 HB ILE 38 -9.269 3.482 4.989 292 1HG1 ILE 38 2HG1 ILE 38 -11.734 2.362 6.352 293 2HG1 ILE 38 1HG1 ILE 38 -10.509 3.311 7.191 294 1HG2 ILE 38 1HG2 ILE 38 -9.880 1.937 3.216 295 2HG2 ILE 38 2HG2 ILE 38 -11.279 2.942 3.597 296 3HG2 ILE 38 3HG2 ILE 38 -11.196 1.284 4.192 297 1HD1 ILE 38 1HD1 ILE 38 -10.849 5.132 5.492 298 2HD1 ILE 38 2HD1 ILE 38 -12.264 4.823 6.499 299 3HD1 ILE 38 3HD1 ILE 38 -12.204 4.205 4.848 300 H MET 39 HN MET 39 -8.666 -0.711 4.664 301 HA MET 39 HA MET 39 -6.090 0.191 3.462 302 1HB MET 39 2HB MET 39 -6.201 -1.934 4.850 303 2HB MET 39 1HB MET 39 -7.203 -2.624 3.572 304 1HG MET 39 2HG MET 39 -5.290 -1.882 1.976 305 2HG MET 39 1HG MET 39 -4.317 -1.771 3.444 306 1HE MET 39 1HE MET 39 -7.031 -5.135 2.556 307 2HE MET 39 2HE MET 39 -6.123 -4.887 1.068 308 3HE MET 39 3HE MET 39 -6.976 -3.534 1.806 309 H VAL 40 HN VAL 40 -6.409 1.042 1.438 310 HA VAL 40 HA VAL 40 -8.615 -0.002 -0.230 311 HB VAL 40 HB VAL 40 -6.675 2.199 -0.958 312 1HG1 VAL 40 1HG1 VAL 40 -7.893 1.879 -2.870 313 2HG1 VAL 40 2HG1 VAL 40 -9.099 2.835 -2.008 314 3HG1 VAL 40 3HG1 VAL 40 -9.209 1.075 -2.016 315 1HG2 VAL 40 1HG2 VAL 40 -8.445 3.737 -0.044 316 2HG2 VAL 40 2HG2 VAL 40 -7.634 2.785 1.200 317 3HG2 VAL 40 3HG2 VAL 40 -9.246 2.327 0.649 318 H VAL 41 HN VAL 41 -8.243 -1.665 -1.524 319 HA VAL 41 HA VAL 41 -5.628 -1.856 -2.943 320 HB VAL 41 HB VAL 41 -5.871 -4.370 -2.777 321 1HG1 VAL 41 1HG1 VAL 41 -4.361 -2.961 -1.327 322 2HG1 VAL 41 2HG1 VAL 41 -4.850 -4.493 -0.605 323 3HG1 VAL 41 3HG1 VAL 41 -5.621 -2.991 -0.094 324 1HG2 VAL 41 1HG2 VAL 41 -7.346 -4.571 -0.394 325 2HG2 VAL 41 2HG2 VAL 41 -7.831 -5.141 -1.988 326 3HG2 VAL 41 3HG2 VAL 41 -8.315 -3.539 -1.444 327 H GLY 42 HN GLY 42 -5.893 -2.161 -5.135 328 1HA GLY 42 2HA GLY 42 -8.544 -2.018 -6.249 329 2HA GLY 42 1HA GLY 42 -7.059 -2.233 -7.161 330 H ARG 43 HN ARG 43 -9.479 -3.577 -7.741 331 HA ARG 43 HA ARG 43 -9.869 -6.134 -6.712 332 1HB ARG 43 2HB ARG 43 -11.199 -4.948 -8.524 333 2HB ARG 43 1HB ARG 43 -9.973 -5.499 -9.666 334 1HG ARG 43 2HG ARG 43 -10.784 -7.711 -8.008 335 2HG ARG 43 1HG ARG 43 -12.213 -6.948 -8.701 336 1HD ARG 43 2HD ARG 43 -9.778 -7.846 -10.270 337 2HD ARG 43 1HD ARG 43 -11.315 -8.707 -10.192 338 HE ARG 43 HE ARG 43 -11.709 -5.983 -11.059 339 1HH1 ARG 43 1HH2 ARG 43 -10.631 -9.126 -12.044 340 2HH1 ARG 43 2HH2 ARG 43 -11.027 -8.873 -13.710 341 1HH2 ARG 43 1HH1 ARG 43 -12.225 -5.660 -13.234 342 2HH2 ARG 43 2HH1 ARG 43 -11.923 -6.923 -14.381 343 H ARG 44 HN ARG 44 -7.125 -5.044 -8.599 344 HA ARG 44 HA ARG 44 -6.356 -7.712 -9.478 345 1HB ARG 44 2HB ARG 44 -5.090 -4.991 -9.480 346 2HB ARG 44 1HB ARG 44 -4.082 -6.407 -9.775 347 1HG ARG 44 2HG ARG 44 -6.438 -6.718 -11.339 348 2HG ARG 44 1HG ARG 44 -5.870 -5.066 -11.584 349 1HD ARG 44 2HD ARG 44 -3.754 -5.786 -12.360 350 2HD ARG 44 1HD ARG 44 -3.976 -7.410 -11.708 351 HE ARG 44 HE ARG 44 -5.918 -6.644 -13.773 352 1HH1 ARG 44 1HH1 ARG 44 -2.871 -8.134 -13.011 353 2HH1 ARG 44 2HH1 ARG 44 -2.847 -9.084 -14.456 354 1HH2 ARG 44 1HH2 ARG 44 -5.870 -7.884 -15.641 355 2HH2 ARG 44 2HH2 ARG 44 -4.533 -8.943 -15.939 356 H THR 45 HN THR 45 -5.276 -5.474 -6.913 357 HA THR 45 HA THR 45 -3.346 -7.314 -5.805 358 HB THR 45 HB THR 45 -4.747 -5.110 -4.283 359 HG1 THR 45 HG1 THR 45 -2.666 -4.963 -6.199 360 1HG2 THR 45 1HG2 THR 45 -3.081 -6.752 -3.210 361 2HG2 THR 45 2HG2 THR 45 -2.756 -5.029 -3.000 362 3HG2 THR 45 3HG2 THR 45 -1.853 -5.960 -4.197 363 H TYR 46 HN TYR 46 -6.612 -6.336 -4.673 364 HA TYR 46 HA TYR 46 -6.853 -8.063 -2.481 365 1HB TYR 46 2HB TYR 46 -8.513 -6.299 -3.404 366 2HB TYR 46 1HB TYR 46 -9.138 -7.610 -4.399 367 HD1 TYR 46 HD1 TYR 46 -10.352 -9.475 -3.421 368 HD2 TYR 46 HD2 TYR 46 -8.693 -6.388 -0.937 369 HE1 TYR 46 HE1 TYR 46 -11.697 -10.290 -1.503 370 HE2 TYR 46 HE2 TYR 46 -10.037 -7.202 0.976 371 HH TYR 46 HH TYR 46 -11.164 -9.184 1.718 372 H GLU 47 HN GLU 47 -7.192 -8.803 -5.921 373 HA GLU 47 HA GLU 47 -8.153 -11.521 -5.428 374 1HB GLU 47 2HB GLU 47 -7.457 -9.870 -7.813 375 2HB GLU 47 1HB GLU 47 -7.382 -11.623 -7.994 376 1HG GLU 47 HG2 GLU 47 -9.732 -11.530 -6.780 377 2HG GLU 47 HG1 GLU 47 -9.747 -9.880 -7.404 378 H SER 48 HN SER 48 -5.076 -9.966 -5.549 379 HA SER 48 HA SER 48 -3.682 -12.540 -6.064 380 1HB SER 48 2HB SER 48 -2.737 -9.674 -5.908 381 2HB SER 48 1HB SER 48 -1.616 -11.031 -5.960 382 HG SER 48 HG SER 48 -2.394 -11.587 -7.948 383 H PHE 49 HN PHE 49 -4.575 -10.440 -3.458 384 HA PHE 49 HA PHE 49 -2.571 -10.848 -1.548 385 1HB PHE 49 2HB PHE 49 -5.425 -10.209 -1.508 386 2HB PHE 49 1HB PHE 49 -4.924 -11.119 -0.084 387 HD1 PHE 49 HD1 PHE 49 -4.032 -8.151 -2.163 388 HD2 PHE 49 HD2 PHE 49 -3.756 -10.061 1.670 389 HE1 PHE 49 HE1 PHE 49 -3.014 -6.103 -1.211 390 HE2 PHE 49 HE2 PHE 49 -2.733 -8.018 2.618 391 HZ PHE 49 HZ PHE 49 -2.364 -6.038 1.175 392 HA PRO 50 HA PRO 50 -2.794 -15.137 -0.339 393 1HB PRO 50 2HB PRO 50 -2.033 -14.801 2.325 394 2HB PRO 50 1HB PRO 50 -0.927 -14.882 0.947 395 1HG PRO 50 2HG PRO 50 -1.480 -12.636 2.627 396 2HG PRO 50 1HG PRO 50 -0.388 -12.717 1.235 397 1HD PRO 50 2HD PRO 50 -3.108 -11.614 1.404 398 2HD PRO 50 1HD PRO 50 -1.847 -11.308 0.199 399 H LYS 51 HN LYS 51 -4.004 -13.092 2.351 400 HA LYS 51 HA LYS 51 -6.377 -14.904 2.512 401 1HB LYS 51 2HB LYS 51 -6.355 -14.577 4.971 402 2HB LYS 51 1HB LYS 51 -4.878 -15.357 4.406 403 1HG LYS 51 2HG LYS 51 -4.052 -12.819 4.236 404 2HG LYS 51 1HG LYS 51 -5.273 -12.603 5.490 405 1HD LYS 51 2HD LYS 51 -3.611 -13.239 6.905 406 2HD LYS 51 1HD LYS 51 -4.013 -14.869 6.365 407 1HE LYS 51 2HE LYS 51 -1.834 -14.988 5.739 408 2HE LYS 51 1HE LYS 51 -2.335 -14.006 4.362 409 1HZ LYS 51 1HE LYS 51 -1.443 -12.137 5.246 410 2HZ LYS 51 2HE LYS 51 -0.408 -13.265 5.983 411 3HZ LYS 51 3HE LYS 51 -1.714 -12.612 6.852 412 H ARG 52 HN ARG 52 -7.923 -13.589 1.591 413 HA ARG 52 HA ARG 52 -8.119 -10.794 2.628 414 1HB ARG 52 2HB ARG 52 -9.448 -11.844 0.123 415 2HB ARG 52 1HB ARG 52 -9.156 -10.168 0.581 416 1HG ARG 52 2HG ARG 52 -7.323 -10.336 -0.745 417 2HG ARG 52 1HG ARG 52 -6.617 -11.193 0.626 418 1HD ARG 52 2HD ARG 52 -6.343 -12.510 -1.432 419 2HD ARG 52 1HD ARG 52 -7.425 -13.340 -0.312 420 HE ARG 52 HE ARG 52 -9.039 -11.747 -2.005 421 1HH1 ARG 52 1HH1 ARG 52 -6.862 -14.443 -2.182 422 2HH1 ARG 52 2HH1 ARG 52 -7.658 -15.149 -3.546 423 1HH2 ARG 52 1HH2 ARG 52 -10.068 -12.673 -3.783 424 2HH2 ARG 52 2HH2 ARG 52 -9.463 -14.154 -4.449 425 HA PRO 53 HA PRO 53 -9.296 -9.275 3.008 426 1HB PRO 53 2HB PRO 53 -10.755 -8.203 5.104 427 2HB PRO 53 1HB PRO 53 -11.204 -8.085 3.396 428 1HG PRO 53 2HG PRO 53 -12.517 -9.555 5.495 429 2HG PRO 53 1HG PRO 53 -13.018 -9.351 3.810 430 1HD PRO 53 2HD PRO 53 -11.709 -11.644 5.077 431 2HD PRO 53 1HD PRO 53 -12.519 -11.545 3.504 432 H LEU 54 HN LEU 54 -8.465 -7.936 5.068 433 HA LEU 54 HA LEU 54 -6.887 -9.853 6.649 434 1HB LEU 54 2HB LEU 54 -6.853 -6.837 6.425 435 2HB LEU 54 1HB LEU 54 -5.813 -7.728 7.537 436 HG LEU 54 HG LEU 54 -5.673 -8.973 4.951 437 1HD1 LEU 54 1HD1 LEU 54 -4.652 -6.167 4.772 438 2HD1 LEU 54 2HD1 LEU 54 -6.362 -6.452 4.448 439 3HD1 LEU 54 3HD1 LEU 54 -5.134 -7.269 3.481 440 1HD2 LEU 54 1HD2 LEU 54 -4.015 -8.812 6.948 441 2HD2 LEU 54 2HD2 LEU 54 -3.532 -7.275 6.229 442 3HD2 LEU 54 3HD2 LEU 54 -3.352 -8.772 5.315 443 HA PRO 55 HA PRO 55 -10.045 -10.015 9.859 444 1HB PRO 55 2HB PRO 55 -7.970 -11.058 11.597 445 2HB PRO 55 1HB PRO 55 -9.383 -11.887 10.931 446 1HG PRO 55 2HG PRO 55 -6.647 -12.119 10.126 447 2HG PRO 55 1HG PRO 55 -8.057 -12.975 9.488 448 1HD PRO 55 2HD PRO 55 -6.543 -11.010 8.156 449 2HD PRO 55 1HD PRO 55 -8.099 -11.677 7.638 450 H GLU 56 HN GLU 56 -10.355 -9.026 11.961 451 HA GLU 56 HA GLU 56 -10.201 -7.171 13.395 452 1HB GLU 56 2HB GLU 56 -7.386 -8.243 13.263 453 2HB GLU 56 1HB GLU 56 -7.796 -6.870 14.290 454 1HG GLU 56 HG2 GLU 56 -9.719 -9.043 14.584 455 2HG GLU 56 HG1 GLU 56 -8.077 -9.569 14.957 456 H ARG 57 HN ARG 57 -9.736 -6.704 10.398 457 HA ARG 57 HA ARG 57 -8.750 -3.932 10.728 458 1HB ARG 57 2HB ARG 57 -7.565 -5.909 8.756 459 2HB ARG 57 1HB ARG 57 -7.268 -4.171 8.724 460 1HG ARG 57 2HG ARG 57 -6.139 -4.213 10.810 461 2HG ARG 57 1HG ARG 57 -6.748 -5.818 11.200 462 1HD ARG 57 2HD ARG 57 -5.360 -5.991 8.714 463 2HD ARG 57 1HD ARG 57 -4.323 -5.148 9.866 464 HE ARG 57 HE ARG 57 -4.996 -7.949 9.952 465 1HH1 ARG 57 1HH2 ARG 57 -4.457 -5.143 11.924 466 2HH1 ARG 57 2HH2 ARG 57 -3.951 -6.061 13.300 467 1HH2 ARG 57 1HH1 ARG 57 -4.337 -9.133 11.750 468 2HH2 ARG 57 2HH1 ARG 57 -3.882 -8.308 13.203 469 H THR 58 HN THR 58 -9.601 -2.506 9.176 470 HA THR 58 HA THR 58 -11.864 -3.608 7.600 471 HB THR 58 HB THR 58 -11.144 -0.695 8.029 472 HG1 THR 58 HG1 THR 58 -11.495 -1.830 10.012 473 1HG2 THR 58 1HG2 THR 58 -13.031 -0.251 6.873 474 2HG2 THR 58 2HG2 THR 58 -13.950 -1.459 7.773 475 3HG2 THR 58 3HG2 THR 58 -13.000 -1.940 6.367 476 H ASN 59 HN ASN 59 -11.620 -3.901 5.438 477 HA ASN 59 HA ASN 59 -9.489 -2.325 4.052 478 1HB ASN 59 2HB ASN 59 -10.266 -5.197 3.468 479 2HB ASN 59 1HB ASN 59 -8.961 -4.284 2.709 480 1HD2 ASN 59 1HD2 ASN 59 -10.001 -5.715 5.816 481 2HD2 ASN 59 2HD2 ASN 59 -8.450 -5.754 6.503 482 H VAL 60 HN VAL 60 -9.997 -1.647 1.915 483 HA VAL 60 HA VAL 60 -12.837 -2.101 1.097 484 HB VAL 60 HB VAL 60 -11.203 0.437 0.767 485 1HG1 VAL 60 1HG1 VAL 60 -13.451 1.371 0.119 486 2HG1 VAL 60 2HG1 VAL 60 -14.069 -0.282 0.105 487 3HG1 VAL 60 3HG1 VAL 60 -12.801 0.195 -1.024 488 1HG2 VAL 60 1HG2 VAL 60 -12.434 1.373 2.546 489 2HG2 VAL 60 2HG2 VAL 60 -12.050 -0.245 3.131 490 3HG2 VAL 60 3HG2 VAL 60 -13.655 0.106 2.491 491 H VAL 61 HN VAL 61 -13.100 -2.737 -1.024 492 HA VAL 61 HA VAL 61 -10.616 -2.983 -2.649 493 HB VAL 61 HB VAL 61 -13.306 -4.295 -3.128 494 1HG1 VAL 61 1HG1 VAL 61 -11.745 -5.928 -4.347 495 2HG1 VAL 61 2HG1 VAL 61 -10.506 -4.681 -4.201 496 3HG1 VAL 61 3HG1 VAL 61 -11.983 -4.354 -5.106 497 1HG2 VAL 61 1HG2 VAL 61 -12.342 -4.903 -0.901 498 2HG2 VAL 61 2HG2 VAL 61 -10.867 -5.422 -1.715 499 3HG2 VAL 61 3HG2 VAL 61 -12.384 -6.269 -2.016 500 H LEU 62 HN LEU 62 -10.655 -2.377 -4.890 501 HA LEU 62 HA LEU 62 -12.791 -0.395 -5.580 502 1HB LEU 62 2HB LEU 62 -10.009 0.018 -5.329 503 2HB LEU 62 1HB LEU 62 -10.323 -0.019 -7.063 504 HG LEU 62 HG LEU 62 -12.149 1.646 -6.736 505 1HD1 LEU 62 1HD1 LEU 62 -11.119 2.268 -4.007 506 2HD1 LEU 62 2HD1 LEU 62 -12.196 0.880 -4.162 507 3HD1 LEU 62 3HD1 LEU 62 -12.738 2.480 -4.672 508 1HD2 LEU 62 1HD2 LEU 62 -10.155 3.278 -5.530 509 2HD2 LEU 62 2HD2 LEU 62 -10.503 3.101 -7.250 510 3HD2 LEU 62 3HD2 LEU 62 -9.307 2.059 -6.481 511 H THR 63 HN THR 63 -13.980 -1.034 -7.316 512 HA THR 63 HA THR 63 -12.642 -2.579 -9.479 513 HB THR 63 HB THR 63 -13.612 -4.242 -7.895 514 HG1 THR 63 HG1 THR 63 -13.679 -4.368 -10.325 515 1HG2 THR 63 1HG2 THR 63 -16.329 -3.236 -8.695 516 2HG2 THR 63 2HG2 THR 63 -15.509 -2.558 -7.289 517 3HG2 THR 63 3HG2 THR 63 -15.893 -4.279 -7.344 518 H HIS 64 HN HIS 64 -13.902 -2.626 -11.470 519 HA HIS 64 HA HIS 64 -15.692 -0.260 -11.704 520 1HB HIS 64 2HB HIS 64 -13.829 -1.691 -13.515 521 2HB HIS 64 1HB HIS 64 -15.314 -1.108 -14.261 522 HD1 HIS 64 HD1 HIS 64 -15.853 1.543 -13.233 523 HD2 HIS 64 HD2 HIS 64 -11.912 0.273 -13.710 524 HE1 HIS 64 HE1 HIS 64 -14.436 3.638 -13.360 525 H GLN 65 HN GLN 65 -16.027 -3.492 -11.119 526 HA GLN 65 HA GLN 65 -18.078 -4.186 -13.047 527 1HB GLN 65 2HB GLN 65 -17.082 -5.383 -10.469 528 2HB GLN 65 1HB GLN 65 -18.547 -6.003 -11.232 529 1HG GLN 65 2HG GLN 65 -16.665 -7.306 -12.035 530 2HG GLN 65 1HG GLN 65 -17.243 -6.293 -13.358 531 1HE2 GLN 65 1HE2 GLN 65 -14.574 -6.780 -11.088 532 2HE2 GLN 65 2HE2 GLN 65 -13.521 -5.658 -11.806 533 H GLU 66 HN GLU 66 -20.286 -4.995 -11.916 534 HA GLU 66 HA GLU 66 -21.273 -2.662 -10.323 535 1HB GLU 66 2HB GLU 66 -22.215 -3.838 -12.787 536 2HB GLU 66 1HB GLU 66 -23.465 -3.970 -11.550 537 1HG GLU 66 HG2 GLU 66 -23.755 -1.705 -11.407 538 2HG GLU 66 HG1 GLU 66 -22.048 -1.365 -11.694 539 H ASP 67 HN ASP 67 -21.277 -6.167 -10.684 540 HA ASP 67 HA ASP 67 -22.934 -6.374 -8.211 541 1HB ASP 67 2HB ASP 67 -23.282 -7.665 -10.571 542 2HB ASP 67 1HB ASP 67 -22.258 -8.828 -9.729 543 H TYR 68 HN TYR 68 -20.152 -5.649 -7.964 544 HA TYR 68 HA TYR 68 -18.461 -7.894 -7.447 545 1HB TYR 68 2HB TYR 68 -17.975 -5.276 -7.450 546 2HB TYR 68 1HB TYR 68 -18.261 -5.456 -5.718 547 HD1 TYR 68 HD1 TYR 68 -16.210 -6.678 -8.567 548 HD2 TYR 68 HD2 TYR 68 -16.673 -6.548 -4.300 549 HE1 TYR 68 HE1 TYR 68 -13.948 -7.650 -8.293 550 HE2 TYR 68 HE2 TYR 68 -14.407 -7.517 -4.024 551 HH TYR 68 HH TYR 68 -12.716 -8.590 -5.121 552 H GLN 69 HN GLN 69 -18.980 -9.520 -6.048 553 HA GLN 69 HA GLN 69 -20.568 -8.833 -3.623 554 1HB GLN 69 2HB GLN 69 -20.071 -11.432 -5.087 555 2HB GLN 69 1HB GLN 69 -20.824 -11.372 -3.493 556 1HG GLN 69 2HG GLN 69 -21.919 -9.559 -5.596 557 2HG GLN 69 1HG GLN 69 -22.279 -11.280 -5.739 558 1HE2 GLN 69 1HE2 GLN 69 -23.506 -8.478 -4.427 559 2HE2 GLN 69 2HE2 GLN 69 -24.399 -9.138 -3.144 560 H ALA 70 HN ALA 70 -19.209 -8.339 -1.963 561 HA ALA 70 HA ALA 70 -17.090 -10.323 -1.302 562 1HB ALA 70 1HB ALA 70 -15.538 -8.487 -0.714 563 2HB ALA 70 2HB ALA 70 -16.714 -7.312 -1.297 564 3HB ALA 70 3HB ALA 70 -15.962 -8.440 -2.425 565 H GLN 71 HN GLN 71 -18.609 -11.040 0.322 566 HA GLN 71 HA GLN 71 -19.662 -9.209 2.308 567 1HB GLN 71 2HB GLN 71 -19.453 -12.218 2.138 568 2HB GLN 71 1HB GLN 71 -20.108 -11.409 3.562 569 1HG GLN 71 2HG GLN 71 -22.048 -10.884 2.514 570 2HG GLN 71 1HG GLN 71 -21.219 -10.402 1.034 571 1HE2 GLN 71 1HE2 GLN 71 -21.575 -13.527 2.826 572 2HE2 GLN 71 2HE2 GLN 71 -22.022 -14.423 1.455 573 H GLY 72 HN GLY 72 -18.617 -8.430 4.066 574 1HA GLY 72 2HA GLY 72 -17.206 -8.831 6.042 575 2HA GLY 72 1HA GLY 72 -16.219 -9.908 5.053 576 H ALA 73 HN ALA 73 -16.092 -8.163 2.730 577 HA ALA 73 HA ALA 73 -14.288 -6.073 3.863 578 1HB ALA 73 1HB ALA 73 -12.911 -6.308 1.963 579 2HB ALA 73 2HB ALA 73 -14.180 -7.106 1.033 580 3HB ALA 73 3HB ALA 73 -13.379 -7.964 2.350 581 H VAL 74 HN VAL 74 -14.501 -3.989 3.192 582 HA VAL 74 HA VAL 74 -17.028 -3.029 2.267 583 HB VAL 74 HB VAL 74 -14.380 -1.577 2.051 584 1HG1 VAL 74 1HG1 VAL 74 -16.957 -0.283 2.819 585 2HG1 VAL 74 2HG1 VAL 74 -16.742 -0.731 1.128 586 3HG1 VAL 74 3HG1 VAL 74 -15.604 0.371 1.898 587 1HG2 VAL 74 1HG2 VAL 74 -15.858 -0.922 4.426 588 2HG2 VAL 74 2HG2 VAL 74 -14.231 -1.589 4.298 589 3HG2 VAL 74 3HG2 VAL 74 -15.622 -2.668 4.370 590 H VAL 75 HN VAL 75 -17.616 -2.144 0.181 591 HA VAL 75 HA VAL 75 -15.789 -2.849 -2.071 592 HB VAL 75 HB VAL 75 -18.776 -3.387 -2.038 593 1HG1 VAL 75 1HG1 VAL 75 -17.224 -2.893 -4.195 594 2HG1 VAL 75 2HG1 VAL 75 -18.570 -4.032 -4.229 595 3HG1 VAL 75 3HG1 VAL 75 -16.922 -4.620 -4.009 596 1HG2 VAL 75 1HG2 VAL 75 -16.447 -5.329 -1.868 597 2HG2 VAL 75 2HG2 VAL 75 -18.154 -5.764 -1.942 598 3HG2 VAL 75 3HG2 VAL 75 -17.521 -4.917 -0.531 599 H VAL 76 HN VAL 76 -15.566 -1.129 -3.450 600 HA VAL 76 HA VAL 76 -17.801 0.818 -3.701 601 HB VAL 76 HB VAL 76 -16.159 2.700 -3.492 602 1HG1 VAL 76 1HG1 VAL 76 -17.005 2.783 -1.409 603 2HG1 VAL 76 2HG1 VAL 76 -15.685 1.746 -0.873 604 3HG1 VAL 76 3HG1 VAL 76 -17.213 1.034 -1.379 605 1HG2 VAL 76 1HG2 VAL 76 -14.260 0.797 -3.833 606 2HG2 VAL 76 2HG2 VAL 76 -14.245 0.929 -2.078 607 3HG2 VAL 76 3HG2 VAL 76 -13.935 2.351 -3.069 608 H HIS 77 HN HIS 77 -17.496 2.243 -5.613 609 HA HIS 77 HA HIS 77 -15.511 1.224 -7.589 610 1HB HIS 77 2HB HIS 77 -18.336 1.888 -8.413 611 2HB HIS 77 1HB HIS 77 -17.126 0.955 -9.291 612 HD1 HIS 77 HD1 HIS 77 -17.104 -1.535 -8.921 613 HD2 HIS 77 HD2 HIS 77 -19.416 0.454 -6.082 614 HE1 HIS 77 HE1 HIS 77 -18.274 -3.328 -7.567 615 H ASP 78 HN ASP 78 -15.614 3.643 -5.913 616 HA ASP 78 HA ASP 78 -15.070 5.585 -7.980 617 1HB ASP 78 2HB ASP 78 -17.764 5.468 -6.888 618 2HB ASP 78 1HB ASP 78 -17.010 7.030 -6.567 619 H VAL 79 HN VAL 79 -13.231 6.323 -7.057 620 HA VAL 79 HA VAL 79 -12.366 6.330 -4.455 621 HB VAL 79 HB VAL 79 -11.996 8.602 -6.430 622 1HG1 VAL 79 1HG1 VAL 79 -11.245 9.385 -4.322 623 2HG1 VAL 79 2HG1 VAL 79 -9.789 8.808 -5.131 624 3HG1 VAL 79 3HG1 VAL 79 -10.561 7.819 -3.890 625 1HG2 VAL 79 1HG2 VAL 79 -10.450 7.317 -7.506 626 2HG2 VAL 79 2HG2 VAL 79 -11.335 5.971 -6.788 627 3HG2 VAL 79 3HG2 VAL 79 -9.876 6.582 -6.010 628 H ALA 80 HN ALA 80 -14.736 8.554 -5.826 629 HA ALA 80 HA ALA 80 -14.781 10.513 -3.771 630 1HB ALA 80 1HB ALA 80 -16.467 11.339 -5.020 631 2HB ALA 80 2HB ALA 80 -17.453 9.905 -4.734 632 3HB ALA 80 3HB ALA 80 -16.297 9.930 -6.066 633 H ALA 81 HN ALA 81 -16.495 7.397 -4.027 634 HA ALA 81 HA ALA 81 -17.980 7.683 -1.588 635 1HB ALA 81 1HB ALA 81 -18.607 6.012 -3.259 636 2HB ALA 81 2HB ALA 81 -18.230 5.205 -1.737 637 3HB ALA 81 3HB ALA 81 -17.058 5.193 -3.055 638 H VAL 82 HN VAL 82 -14.865 6.077 -2.324 639 HA VAL 82 HA VAL 82 -14.308 5.043 0.233 640 HB VAL 82 HB VAL 82 -12.205 6.362 -1.497 641 1HG1 VAL 82 1HG1 VAL 82 -11.999 5.077 0.905 642 2HG1 VAL 82 2HG1 VAL 82 -10.710 5.127 -0.299 643 3HG1 VAL 82 3HG1 VAL 82 -11.784 3.729 -0.213 644 1HG2 VAL 82 1HG2 VAL 82 -13.389 5.056 -3.073 645 2HG2 VAL 82 2HG2 VAL 82 -13.737 3.792 -1.894 646 3HG2 VAL 82 3HG2 VAL 82 -12.101 3.982 -2.527 647 H PHE 83 HN PHE 83 -13.767 8.341 -0.984 648 HA PHE 83 HA PHE 83 -12.388 9.332 1.306 649 1HB PHE 83 2HB PHE 83 -13.978 10.576 -0.912 650 2HB PHE 83 1HB PHE 83 -13.506 11.572 0.467 651 HD1 PHE 83 HD1 PHE 83 -12.514 10.670 -2.716 652 HD2 PHE 83 HD2 PHE 83 -10.946 10.971 1.268 653 HE1 PHE 83 HE1 PHE 83 -10.216 10.856 -3.632 654 HE2 PHE 83 HE2 PHE 83 -8.653 11.159 0.352 655 HZ PHE 83 HZ PHE 83 -8.290 11.095 -2.097 656 H ALA 84 HN ALA 84 -15.847 9.015 0.601 657 HA ALA 84 HA ALA 84 -16.864 10.573 2.738 658 1HB ALA 84 1HB ALA 84 -17.948 8.069 1.425 659 2HB ALA 84 2HB ALA 84 -18.395 9.741 1.085 660 3HB ALA 84 3HB ALA 84 -18.853 9.000 2.618 661 H TYR 85 HN TYR 85 -16.375 7.011 2.730 662 HA TYR 85 HA TYR 85 -16.973 6.472 5.385 663 1HB TYR 85 2HB TYR 85 -16.105 4.932 3.421 664 2HB TYR 85 1HB TYR 85 -14.546 5.167 4.211 665 HD1 TYR 85 HD1 TYR 85 -18.091 4.199 4.925 666 HD2 TYR 85 HD2 TYR 85 -13.972 3.887 6.097 667 HE1 TYR 85 HE1 TYR 85 -18.707 2.521 6.645 668 HE2 TYR 85 HE2 TYR 85 -14.585 2.210 7.816 669 HH TYR 85 HH TYR 85 -16.263 0.772 8.470 670 H ALA 86 HN ALA 86 -13.679 7.314 4.200 671 HA ALA 86 HA ALA 86 -12.381 7.328 6.701 672 1HB ALA 86 1HB ALA 86 -10.658 8.561 5.659 673 2HB ALA 86 2HB ALA 86 -11.785 9.392 4.586 674 3HB ALA 86 3HB ALA 86 -11.414 7.691 4.326 675 H LYS 87 HN LYS 87 -14.033 10.050 5.077 676 HA LYS 87 HA LYS 87 -13.557 11.958 7.154 677 1HB LYS 87 2HB LYS 87 -15.169 11.782 4.727 678 2HB LYS 87 1HB LYS 87 -16.018 12.644 6.010 679 1HG LYS 87 2HG LYS 87 -14.749 14.460 5.630 680 2HG LYS 87 1HG LYS 87 -13.304 13.532 6.028 681 1HD LYS 87 2HD LYS 87 -13.783 12.612 3.519 682 2HD LYS 87 1HD LYS 87 -14.416 14.252 3.376 683 1HE LYS 87 2HE LYS 87 -12.355 15.223 3.676 684 2HE LYS 87 1HE LYS 87 -11.793 13.943 4.751 685 1HZ LYS 87 1HE LYS 87 -10.779 12.998 3.045 686 2HZ LYS 87 2HE LYS 87 -11.314 14.235 2.012 687 3HZ LYS 87 3HE LYS 87 -12.251 12.834 2.219 688 H GLN 88 HN GLN 88 -15.797 9.322 6.871 689 HA GLN 88 HA GLN 88 -17.555 10.330 8.998 690 1HB GLN 88 2HB GLN 88 -17.713 8.326 6.956 691 2HB GLN 88 1HB GLN 88 -17.999 7.555 8.516 692 1HG GLN 88 2HG GLN 88 -20.138 8.316 7.819 693 2HG GLN 88 1HG GLN 88 -19.599 9.508 9.002 694 1HE2 GLN 88 1HE2 GLN 88 -19.325 8.949 5.438 695 2HE2 GLN 88 2HE2 GLN 88 -19.533 10.582 5.024 696 H HIS 89 HN HIS 89 -14.964 7.883 8.673 697 HA HIS 89 HA HIS 89 -15.347 7.037 11.460 698 1HB HIS 89 2HB HIS 89 -13.707 6.172 9.131 699 2HB HIS 89 1HB HIS 89 -13.061 5.825 10.735 700 HD1 HIS 89 HD1 HIS 89 -13.667 3.481 11.309 701 HD2 HIS 89 HD2 HIS 89 -16.801 5.442 9.386 702 HE1 HIS 89 HE1 HIS 89 -15.605 1.853 11.261 703 HA PRO 90 HA PRO 90 -12.338 10.159 12.795 704 1HB PRO 90 2HB PRO 90 -13.104 9.962 15.449 705 2HB PRO 90 1HB PRO 90 -13.852 11.038 14.259 706 1HG PRO 90 2HG PRO 90 -14.983 8.718 15.541 707 2HG PRO 90 1HG PRO 90 -15.763 9.867 14.445 708 1HD PRO 90 2HD PRO 90 -14.744 7.187 13.874 709 2HD PRO 90 1HD PRO 90 -15.794 8.220 12.889 710 H ASP 91 HN ASP 91 -12.223 6.940 12.942 711 HA ASP 91 HA ASP 91 -9.726 6.938 14.542 712 1HB ASP 91 2HB ASP 91 -12.062 5.053 14.966 713 2HB ASP 91 1HB ASP 91 -10.438 4.747 15.584 714 H GLN 92 HN GLN 92 -11.014 6.489 11.666 715 HA GLN 92 HA GLN 92 -9.063 4.403 10.903 716 1HB GLN 92 2HB GLN 92 -11.514 3.490 11.333 717 2HB GLN 92 1HB GLN 92 -11.839 4.223 9.764 718 1HG GLN 92 2HG GLN 92 -10.041 2.913 8.748 719 2HG GLN 92 1HG GLN 92 -9.632 2.231 10.311 720 1HE2 GLN 92 1HE2 GLN 92 -11.378 0.899 11.393 721 2HE2 GLN 92 2HE2 GLN 92 -12.473 0.052 10.411 722 H GLU 93 HN GLU 93 -7.884 5.921 9.679 723 HA GLU 93 HA GLU 93 -9.281 7.815 7.951 724 1HB GLU 93 2HB GLU 93 -6.357 7.155 8.385 725 2HB GLU 93 1HB GLU 93 -6.909 8.393 7.258 726 1HG GLU 93 HG2 GLU 93 -7.782 9.746 8.964 727 2HG GLU 93 HG1 GLU 93 -7.858 8.409 10.112 728 H LEU 94 HN LEU 94 -7.538 7.781 5.732 729 HA LEU 94 HA LEU 94 -8.484 5.311 4.354 730 1HB LEU 94 2HB LEU 94 -8.933 7.861 3.615 731 2HB LEU 94 1HB LEU 94 -7.384 7.614 2.816 732 HG LEU 94 HG LEU 94 -8.437 5.393 1.960 733 1HD1 LEU 94 1HD1 LEU 94 -10.601 5.007 2.444 734 2HD1 LEU 94 2HD1 LEU 94 -11.062 6.591 1.822 735 3HD1 LEU 94 3HD1 LEU 94 -10.573 6.411 3.506 736 1HD2 LEU 94 1HD2 LEU 94 -8.691 6.489 -0.021 737 2HD2 LEU 94 2HD2 LEU 94 -8.132 7.899 0.879 738 3HD2 LEU 94 3HD2 LEU 94 -9.859 7.625 0.651 739 H VAL 95 HN VAL 95 -6.910 3.790 4.101 740 HA VAL 95 HA VAL 95 -4.097 4.758 3.764 741 HB VAL 95 HB VAL 95 -5.019 2.115 4.943 742 1HG1 VAL 95 1HG1 VAL 95 -2.468 2.352 5.703 743 2HG1 VAL 95 2HG1 VAL 95 -2.375 3.303 4.221 744 3HG1 VAL 95 3HG1 VAL 95 -2.904 1.622 4.159 745 1HG2 VAL 95 1HG2 VAL 95 -3.963 3.167 7.037 746 2HG2 VAL 95 2HG2 VAL 95 -5.534 3.804 6.542 747 3HG2 VAL 95 3HG2 VAL 95 -4.060 4.705 6.176 748 H ILE 96 HN ILE 96 -3.219 4.278 1.826 749 HA ILE 96 HA ILE 96 -4.723 2.546 -0.018 750 HB ILE 96 HB ILE 96 -2.157 4.070 -0.529 751 1HG1 ILE 96 2HG1 ILE 96 -3.925 5.602 0.251 752 2HG1 ILE 96 1HG1 ILE 96 -3.633 5.827 -1.473 753 1HG2 ILE 96 1HG2 ILE 96 -3.167 3.978 -2.898 754 2HG2 ILE 96 2HG2 ILE 96 -4.243 2.737 -2.256 755 3HG2 ILE 96 3HG2 ILE 96 -2.501 2.480 -2.251 756 1HD1 ILE 96 1HD1 ILE 96 -6.039 5.758 -1.052 757 2HD1 ILE 96 2HD1 ILE 96 -5.874 4.205 -0.231 758 3HD1 ILE 96 3HD1 ILE 96 -5.558 4.325 -1.962 759 H ALA 97 HN ALA 97 -3.867 0.698 -0.998 760 HA ALA 97 HA ALA 97 -1.336 -0.366 0.158 761 1HB ALA 97 1HB ALA 97 -4.055 -1.614 0.080 762 2HB ALA 97 2HB ALA 97 -2.827 -1.687 1.344 763 3HB ALA 97 3HB ALA 97 -2.646 -2.658 -0.120 764 H GLY 98 HN GLY 98 -2.955 0.589 -2.558 765 1HA GLY 98 2HA GLY 98 -1.962 0.486 -4.739 766 2HA GLY 98 1HA GLY 98 -1.120 -0.986 -4.270 767 H GLY 99 HN GLY 99 -3.526 -2.497 -6.440 768 1HA GLY 99 2HA GLY 99 -0.754 -2.099 -5.804 769 2HA GLY 99 1HA GLY 99 -1.392 -2.624 -7.356 770 H ALA 100 HN ALA 100 -0.197 -1.313 -8.693 771 HA ALA 100 HA ALA 100 0.437 1.432 -8.225 772 1HB ALA 100 1HB ALA 100 0.086 0.466 -11.028 773 2HB ALA 100 2HB ALA 100 1.289 -0.347 -10.027 774 3HB ALA 100 3HB ALA 100 1.410 1.389 -10.316 775 H GLN 101 HN GLN 101 -2.278 -0.082 -9.939 776 HA GLN 101 HA GLN 101 -3.397 2.243 -11.076 777 1HB GLN 101 2HB GLN 101 -4.132 -0.311 -11.162 778 2HB GLN 101 1HB GLN 101 -5.232 0.209 -9.886 779 1HG GLN 101 2HG GLN 101 -6.566 0.772 -11.660 780 2HG GLN 101 1HG GLN 101 -5.586 2.238 -11.639 781 1HE2 GLN 101 1HE2 GLN 101 -6.034 -0.875 -13.296 782 2HE2 GLN 101 2HE2 GLN 101 -5.097 -0.480 -14.655 783 H ILE 102 HN ILE 102 -3.807 0.940 -7.740 784 HA ILE 102 HA ILE 102 -5.715 3.018 -7.062 785 HB ILE 102 HB ILE 102 -4.086 1.294 -5.183 786 1HG1 ILE 102 2HG1 ILE 102 -5.250 -0.102 -6.862 787 2HG1 ILE 102 1HG1 ILE 102 -5.979 -0.280 -5.269 788 1HG2 ILE 102 1HG2 ILE 102 -5.193 3.026 -3.979 789 2HG2 ILE 102 2HG2 ILE 102 -6.217 1.602 -3.801 790 3HG2 ILE 102 3HG2 ILE 102 -6.657 2.867 -4.948 791 1HD1 ILE 102 1HD1 ILE 102 -7.322 0.376 -7.624 792 2HD1 ILE 102 2HD1 ILE 102 -7.194 1.907 -6.763 793 3HD1 ILE 102 3HD1 ILE 102 -7.960 0.524 -5.987 794 H PHE 103 HN PHE 103 -2.193 2.768 -6.939 795 HA PHE 103 HA PHE 103 -1.867 4.911 -5.023 796 1HB PHE 103 2HB PHE 103 -0.008 3.699 -7.089 797 2HB PHE 103 1HB PHE 103 0.487 4.984 -5.995 798 HD1 PHE 103 HD1 PHE 103 1.241 1.840 -6.347 799 HD2 PHE 103 HD2 PHE 103 -0.983 4.176 -3.506 800 HE1 PHE 103 HE1 PHE 103 1.715 0.156 -4.589 801 HE2 PHE 103 HE2 PHE 103 -0.510 2.490 -1.752 802 HZ PHE 103 HZ PHE 103 0.839 0.481 -2.292 803 H THR 104 HN THR 104 -2.486 4.747 -8.447 804 HA THR 104 HA THR 104 -1.596 7.482 -8.975 805 HB THR 104 HB THR 104 -3.400 5.864 -10.766 806 HG1 THR 104 HG1 THR 104 -1.339 5.069 -11.606 807 1HG2 THR 104 1HG2 THR 104 -2.103 7.048 -12.511 808 2HG2 THR 104 2HG2 THR 104 -1.165 7.853 -11.253 809 3HG2 THR 104 3HG2 THR 104 -2.892 8.178 -11.410 810 H ALA 105 HN ALA 105 -4.813 5.869 -8.822 811 HA ALA 105 HA ALA 105 -6.330 8.225 -9.278 812 1HB ALA 105 1HB ALA 105 -7.139 5.779 -9.167 813 2HB ALA 105 2HB ALA 105 -8.208 7.007 -8.489 814 3HB ALA 105 3HB ALA 105 -7.218 6.014 -7.420 815 H PHE 106 HN PHE 106 -4.784 7.012 -6.361 816 HA PHE 106 HA PHE 106 -6.038 9.192 -4.771 817 1HB PHE 106 2HB PHE 106 -4.431 6.748 -3.997 818 2HB PHE 106 1HB PHE 106 -4.928 7.983 -2.841 819 HD1 PHE 106 HD1 PHE 106 -7.212 8.175 -2.115 820 HD2 PHE 106 HD2 PHE 106 -6.142 5.403 -5.208 821 HE1 PHE 106 HE1 PHE 106 -9.437 7.104 -1.927 822 HE2 PHE 106 HE2 PHE 106 -8.366 4.332 -5.022 823 HZ PHE 106 HZ PHE 106 -10.014 5.183 -3.380 824 H LYS 107 HN LYS 107 -3.236 8.792 -6.593 825 HA LYS 107 HA LYS 107 -1.221 9.784 -4.871 826 1HB LYS 107 2HB LYS 107 0.044 10.381 -6.827 827 2HB LYS 107 1HB LYS 107 -0.821 8.894 -7.185 828 1HG LYS 107 2HG LYS 107 -2.127 9.883 -8.773 829 2HG LYS 107 1HG LYS 107 -2.247 11.398 -7.891 830 1HD LYS 107 2HD LYS 107 0.387 10.589 -9.069 831 2HD LYS 107 1HD LYS 107 -0.848 11.295 -10.111 832 1HE LYS 107 2HE LYS 107 0.347 13.179 -9.377 833 2HE LYS 107 1HE LYS 107 -1.021 13.128 -8.265 834 1HZ LYS 107 1HE LYS 107 1.439 11.678 -7.581 835 2HZ LYS 107 2HE LYS 107 0.271 12.364 -6.556 836 3HZ LYS 107 3HE LYS 107 1.388 13.359 -7.362 837 H ASP 108 HN ASP 108 -3.704 11.624 -6.683 838 HA ASP 108 HA ASP 108 -2.566 14.202 -6.121 839 1HB ASP 108 2HB ASP 108 -4.469 13.447 -7.792 840 2HB ASP 108 1HB ASP 108 -5.522 13.810 -6.424 841 H ASP 109 HN ASP 109 -4.918 12.178 -4.404 842 HA ASP 109 HA ASP 109 -5.040 14.216 -2.229 843 1HB ASP 109 2HB ASP 109 -6.817 11.946 -3.084 844 2HB ASP 109 1HB ASP 109 -6.890 12.534 -1.423 845 H VAL 110 HN VAL 110 -2.932 13.672 -1.313 846 HA VAL 110 HA VAL 110 -2.916 11.008 0.042 847 HB VAL 110 HB VAL 110 -0.499 12.571 -0.916 848 1HG1 VAL 110 1HG1 VAL 110 -0.561 10.750 1.066 849 2HG1 VAL 110 2HG1 VAL 110 0.795 10.883 -0.048 850 3HG1 VAL 110 3HG1 VAL 110 -0.444 9.656 -0.309 851 1HG2 VAL 110 1HG2 VAL 110 -2.308 11.199 -2.511 852 2HG2 VAL 110 2HG2 VAL 110 -1.079 9.987 -2.178 853 3HG2 VAL 110 3HG2 VAL 110 -0.623 11.519 -2.921 854 H ASP 111 HN ASP 111 -2.056 11.009 2.177 855 HA ASP 111 HA ASP 111 -1.635 13.703 3.401 856 1HB ASP 111 2HB ASP 111 -3.404 11.442 4.329 857 2HB ASP 111 1HB ASP 111 -2.778 12.635 5.468 858 H THR 112 HN THR 112 -0.953 10.243 3.445 859 HA THR 112 HA THR 112 1.545 10.831 4.950 860 HB THR 112 HB THR 112 -0.148 8.414 5.596 861 HG1 THR 112 HG1 THR 112 -1.180 9.550 7.076 862 1HG2 THR 112 1HG2 THR 112 2.382 8.660 6.134 863 2HG2 THR 112 2HG2 THR 112 1.298 8.140 7.424 864 3HG2 THR 112 3HG2 THR 112 1.849 9.814 7.357 865 H LEU 113 HN LEU 113 3.283 9.626 4.220 866 HA LEU 113 HA LEU 113 2.681 7.582 2.112 867 1HB LEU 113 2HB LEU 113 5.011 9.513 2.260 868 2HB LEU 113 1HB LEU 113 4.847 8.230 1.065 869 HG LEU 113 HG LEU 113 2.672 10.279 1.458 870 1HD1 LEU 113 1HD1 LEU 113 3.667 11.669 -0.225 871 2HD1 LEU 113 2HD1 LEU 113 4.926 10.479 -0.552 872 3HD1 LEU 113 3HD1 LEU 113 4.923 11.362 0.976 873 1HD2 LEU 113 1HD2 LEU 113 3.245 8.026 -0.323 874 2HD2 LEU 113 2HD2 LEU 113 2.877 9.505 -1.211 875 3HD2 LEU 113 3HD2 LEU 113 1.722 8.869 -0.040 876 H LEU 114 HN LEU 114 3.470 5.582 2.512 877 HA LEU 114 HA LEU 114 5.678 5.317 4.509 878 1HB LEU 114 2HB LEU 114 3.335 3.440 4.105 879 2HB LEU 114 1HB LEU 114 4.610 3.268 5.311 880 HG LEU 114 HG LEU 114 3.178 5.867 5.304 881 1HD1 LEU 114 1HD1 LEU 114 1.330 4.795 6.699 882 2HD1 LEU 114 2HD1 LEU 114 1.868 3.245 6.050 883 3HD1 LEU 114 3HD1 LEU 114 1.253 4.489 4.963 884 1HD2 LEU 114 1HD2 LEU 114 4.011 3.884 7.447 885 2HD2 LEU 114 2HD2 LEU 114 3.345 5.489 7.755 886 3HD2 LEU 114 3HD2 LEU 114 4.909 5.321 6.959 887 H VAL 115 HN VAL 115 7.370 4.827 3.231 888 HA VAL 115 HA VAL 115 6.984 2.672 1.181 889 HB VAL 115 HB VAL 115 7.472 4.904 0.204 890 1HG1 VAL 115 1HG1 VAL 115 9.110 5.300 2.308 891 2HG1 VAL 115 2HG1 VAL 115 9.289 6.171 0.786 892 3HG1 VAL 115 3HG1 VAL 115 10.296 4.762 1.119 893 1HG2 VAL 115 1HG2 VAL 115 9.125 4.106 -1.342 894 2HG2 VAL 115 2HG2 VAL 115 8.206 2.695 -0.817 895 3HG2 VAL 115 3HG2 VAL 115 9.807 3.008 -0.141 896 H THR 116 HN THR 116 8.359 0.953 1.194 897 HA THR 116 HA THR 116 10.472 0.920 3.311 898 HB THR 116 HB THR 116 9.466 -1.588 2.015 899 HG1 THR 116 HG1 THR 116 7.727 -1.637 3.417 900 1HG2 THR 116 1HG2 THR 116 11.216 -1.914 3.571 901 2HG2 THR 116 2HG2 THR 116 9.752 -2.311 4.471 902 3HG2 THR 116 3HG2 THR 116 10.535 -0.748 4.706 903 H ARG 117 HN ARG 117 12.530 0.984 2.509 904 HA ARG 117 HA ARG 117 12.917 0.208 -0.347 905 1HB ARG 117 2HB ARG 117 14.598 1.954 1.475 906 2HB ARG 117 1HB ARG 117 15.011 1.554 -0.193 907 1HG ARG 117 2HG ARG 117 12.498 2.422 -0.589 908 2HG ARG 117 1HG ARG 117 12.887 3.363 0.851 909 1HD ARG 117 2HD ARG 117 15.132 3.845 -0.472 910 2HD ARG 117 1HD ARG 117 14.130 3.465 -1.870 911 HE ARG 117 HE ARG 117 13.561 5.672 0.065 912 1HH1 ARG 117 1HH2 ARG 117 13.183 4.135 -3.038 913 2HH1 ARG 117 2HH2 ARG 117 12.325 5.473 -3.717 914 1HH2 ARG 117 1HH1 ARG 117 12.438 7.389 -0.840 915 2HH2 ARG 117 2HH1 ARG 117 11.904 7.299 -2.486 916 H LEU 118 HN LEU 118 13.747 -1.780 -0.615 917 HA LEU 118 HA LEU 118 15.174 -3.130 1.566 918 1HB LEU 118 2HB LEU 118 14.296 -3.939 -1.209 919 2HB LEU 118 1HB LEU 118 15.359 -4.967 -0.250 920 HG LEU 118 HG LEU 118 13.613 -4.763 1.621 921 1HD1 LEU 118 1HD1 LEU 118 11.338 -4.195 0.905 922 2HD1 LEU 118 2HD1 LEU 118 11.918 -3.851 -0.724 923 3HD1 LEU 118 3HD1 LEU 118 12.412 -2.826 0.624 924 1HD2 LEU 118 1HD2 LEU 118 13.429 -6.290 -0.923 925 2HD2 LEU 118 2HD2 LEU 118 11.988 -6.302 0.090 926 3HD2 LEU 118 3HD2 LEU 118 13.524 -6.878 0.737 927 H ALA 119 HN ALA 119 17.354 -4.056 1.231 928 HA ALA 119 HA ALA 119 19.113 -2.114 -0.093 929 1HB ALA 119 1HB ALA 119 19.414 -3.572 2.167 930 2HB ALA 119 2HB ALA 119 20.777 -2.954 1.235 931 3HB ALA 119 3HB ALA 119 20.248 -4.622 1.021 932 H GLY 120 HN GLY 120 17.922 -5.372 -0.682 933 1HA GLY 120 2HA GLY 120 19.882 -6.019 -2.716 934 2HA GLY 120 1HA GLY 120 18.363 -6.868 -2.444 935 H SER 121 HN SER 121 19.149 -6.419 -5.045 936 HA SER 121 HA SER 121 17.269 -4.262 -5.922 937 1HB SER 121 2HB SER 121 18.729 -4.029 -7.941 938 2HB SER 121 1HB SER 121 19.549 -3.593 -6.446 939 HG SER 121 HG SER 121 19.665 -6.140 -7.703 940 H PHE 122 HN PHE 122 15.505 -5.226 -6.782 941 HA PHE 122 HA PHE 122 15.872 -7.804 -8.249 942 1HB PHE 122 2HB PHE 122 13.285 -6.680 -7.139 943 2HB PHE 122 1HB PHE 122 13.580 -8.320 -7.721 944 HD1 PHE 122 HD1 PHE 122 14.715 -9.960 -6.351 945 HD2 PHE 122 HD2 PHE 122 14.309 -5.901 -5.020 946 HE1 PHE 122 HE1 PHE 122 15.443 -10.632 -4.075 947 HE2 PHE 122 HE2 PHE 122 15.032 -6.568 -2.745 948 HZ PHE 122 HZ PHE 122 15.597 -8.935 -2.267 949 H GLU 123 HN GLU 123 14.432 -8.079 -10.170 950 HA GLU 123 HA GLU 123 14.052 -5.461 -11.572 951 1HB GLU 123 2HB GLU 123 15.622 -7.624 -12.337 952 2HB GLU 123 1HB GLU 123 14.155 -7.826 -13.295 953 1HG GLU 123 HG2 GLU 123 14.571 -5.975 -14.548 954 2HG GLU 123 HG1 GLU 123 15.137 -5.048 -13.159 955 H GLY 124 HN GLY 124 12.275 -5.503 -13.239 956 1HA GLY 124 2HA GLY 124 10.241 -7.475 -13.334 957 2HA GLY 124 1HA GLY 124 9.792 -6.317 -12.080 958 H ASP 125 HN ASP 125 7.980 -5.549 -13.371 959 HA ASP 125 HA ASP 125 8.828 -3.644 -15.485 960 1HB ASP 125 2HB ASP 125 6.997 -5.967 -15.779 961 2HB ASP 125 1HB ASP 125 6.452 -4.453 -16.501 962 H THR 126 HN THR 126 6.989 -4.391 -12.730 963 HA THR 126 HA THR 126 5.187 -2.047 -13.120 964 HB THR 126 HB THR 126 5.017 -4.035 -10.854 965 HG1 THR 126 HG1 THR 126 4.071 -4.269 -13.508 966 1HG2 THR 126 1HG2 THR 126 2.600 -3.412 -11.021 967 2HG2 THR 126 2HG2 THR 126 3.023 -2.260 -12.288 968 3HG2 THR 126 3HG2 THR 126 3.645 -2.040 -10.652 969 H LYS 127 HN LYS 127 5.975 -0.197 -12.210 970 HA LYS 127 HA LYS 127 7.573 -0.490 -9.699 971 1HB LYS 127 2HB LYS 127 8.009 1.251 -12.114 972 2HB LYS 127 1HB LYS 127 8.623 1.750 -10.537 973 1HG LYS 127 2HG LYS 127 9.912 -0.288 -10.323 974 2HG LYS 127 1HG LYS 127 9.189 -0.952 -11.788 975 1HD LYS 127 2HD LYS 127 10.264 1.588 -12.476 976 2HD LYS 127 1HD LYS 127 11.497 0.746 -11.537 977 1HE LYS 127 2HE LYS 127 11.865 0.072 -13.791 978 2HE LYS 127 1HE LYS 127 11.034 -1.285 -13.032 979 1HZ LYS 127 1HE LYS 127 9.028 0.345 -13.940 980 2HZ LYS 127 2HE LYS 127 9.552 -1.104 -14.655 981 3HZ LYS 127 3HE LYS 127 10.182 0.383 -15.183 982 H MET 128 HN MET 128 7.430 1.369 -8.242 983 HA MET 128 HA MET 128 4.738 2.198 -7.795 984 1HB MET 128 2HB MET 128 6.979 2.155 -6.278 985 2HB MET 128 1HB MET 128 6.909 3.875 -6.667 986 1HG MET 128 2HG MET 128 4.353 2.584 -5.863 987 2HG MET 128 1HG MET 128 5.558 2.810 -4.600 988 1HE MET 128 1HE MET 128 3.714 4.790 -3.320 989 2HE MET 128 2HE MET 128 2.941 3.719 -4.490 990 3HE MET 128 3HE MET 128 2.639 5.454 -4.560 991 H ILE 129 HN ILE 129 3.849 4.365 -7.914 992 HA ILE 129 HA ILE 129 4.495 5.718 -10.388 993 HB ILE 129 HB ILE 129 2.722 7.316 -9.625 994 1HG1 ILE 129 2HG1 ILE 129 2.256 5.544 -7.253 995 2HG1 ILE 129 1HG1 ILE 129 3.475 6.813 -7.129 996 1HG2 ILE 129 1HG2 ILE 129 2.447 4.725 -10.464 997 2HG2 ILE 129 2HG2 ILE 129 1.101 5.842 -10.243 998 3HG2 ILE 129 3HG2 ILE 129 1.519 4.701 -8.965 999 1HD1 ILE 129 1HD1 ILE 129 0.708 7.120 -6.794 1000 2HD1 ILE 129 2HD1 ILE 129 1.049 7.816 -8.378 1001 3HD1 ILE 129 3HD1 ILE 129 1.896 8.413 -6.951 1002 HA PRO 130 HA PRO 130 7.234 8.912 -8.998 1003 1HB PRO 130 2HB PRO 130 6.074 11.103 -10.345 1004 2HB PRO 130 1HB PRO 130 7.312 10.009 -10.974 1005 1HG PRO 130 2HG PRO 130 4.606 10.252 -11.821 1006 2HG PRO 130 1HG PRO 130 5.830 9.114 -12.403 1007 1HD PRO 130 2HD PRO 130 3.585 8.642 -10.592 1008 2HD PRO 130 1HD PRO 130 4.593 7.469 -11.455 1009 H LEU 131 HN LEU 131 6.875 9.285 -6.798 1010 HA LEU 131 HA LEU 131 4.576 10.945 -5.970 1011 1HB LEU 131 2HB LEU 131 6.665 9.318 -4.550 1012 2HB LEU 131 1HB LEU 131 5.781 10.560 -3.661 1013 HG LEU 131 HG LEU 131 4.303 8.562 -5.359 1014 1HD1 LEU 131 1HD1 LEU 131 4.000 7.321 -3.111 1015 2HD1 LEU 131 2HD1 LEU 131 5.446 8.187 -2.590 1016 3HD1 LEU 131 3HD1 LEU 131 5.525 7.089 -3.967 1017 1HD2 LEU 131 1HD2 LEU 131 2.592 9.041 -3.526 1018 2HD2 LEU 131 2HD2 LEU 131 2.977 10.399 -4.584 1019 3HD2 LEU 131 3HD2 LEU 131 3.680 10.312 -2.968 1020 H ASN 132 HN ASN 132 4.909 12.922 -4.713 1021 HA ASN 132 HA ASN 132 7.284 14.415 -5.671 1022 1HB ASN 132 2HB ASN 132 4.703 15.157 -5.652 1023 2HB ASN 132 1HB ASN 132 5.165 15.748 -4.055 1024 1HD2 ASN 132 1HD2 ASN 132 6.965 15.629 -7.187 1025 2HD2 ASN 132 2HD2 ASN 132 7.344 17.283 -7.195 1026 H TRP 133 HN TRP 133 8.535 13.013 -4.044 1027 HA TRP 133 HA TRP 133 8.307 13.189 -1.254 1028 1HB TRP 133 2HB TRP 133 10.882 13.216 -2.862 1029 2HB TRP 133 1HB TRP 133 10.728 12.752 -1.167 1030 HD1 TRP 133 HD1 TRP 133 10.404 11.420 -4.634 1031 HE1 TRP 133 HE1 TRP 133 9.559 8.985 -4.571 1032 HE3 TRP 133 HE3 TRP 133 9.067 11.079 0.279 1033 HZ2 TRP 133 HZ2 TRP 133 8.463 7.137 -2.682 1034 HZ3 TRP 133 HZ3 TRP 133 8.127 8.974 1.184 1035 HH2 TRP 133 HH2 TRP 133 7.824 7.004 -0.289 1036 H ASP 134 HN ASP 134 9.425 15.621 -3.511 1037 HA ASP 134 HA ASP 134 10.739 17.331 -1.616 1038 1HB ASP 134 2HB ASP 134 10.102 17.384 -4.402 1039 2HB ASP 134 1HB ASP 134 9.557 18.902 -3.690 1040 H ASP 135 HN ASP 135 7.351 16.827 -2.386 1041 HA ASP 135 HA ASP 135 6.558 19.293 -0.957 1042 1HB ASP 135 2HB ASP 135 5.448 18.120 -3.092 1043 2HB ASP 135 1HB ASP 135 4.550 17.270 -1.836 1044 H PHE 136 HN PHE 136 7.165 16.024 -0.229 1045 HA PHE 136 HA PHE 136 5.505 16.221 2.258 1046 1HB PHE 136 2HB PHE 136 6.561 13.778 0.797 1047 2HB PHE 136 1HB PHE 136 5.735 13.724 2.355 1048 HD1 PHE 136 HD1 PHE 136 5.359 14.354 -1.250 1049 HD2 PHE 136 HD2 PHE 136 3.342 14.209 2.534 1050 HE1 PHE 136 HE1 PHE 136 3.173 14.369 -2.417 1051 HE2 PHE 136 HE2 PHE 136 1.154 14.223 1.366 1052 HZ PHE 136 HZ PHE 136 1.070 14.303 -1.108 1053 H THR 137 HN THR 137 6.580 15.129 4.195 1054 HA THR 137 HA THR 137 9.553 15.276 4.045 1055 HB THR 137 HB THR 137 8.039 16.412 6.394 1056 HG1 THR 137 HG1 THR 137 8.865 17.692 4.006 1057 1HG2 THR 137 1HG2 THR 137 10.608 15.765 6.228 1058 2HG2 THR 137 2HG2 THR 137 10.098 17.236 7.055 1059 3HG2 THR 137 3HG2 THR 137 10.711 17.320 5.404 1060 H LYS 138 HN LYS 138 10.515 13.577 5.088 1061 HA LYS 138 HA LYS 138 8.886 11.466 6.192 1062 1HB LYS 138 2HB LYS 138 11.083 11.128 5.032 1063 2HB LYS 138 1HB LYS 138 11.881 11.861 6.421 1064 1HG LYS 138 2HG LYS 138 9.979 9.666 7.029 1065 2HG LYS 138 1HG LYS 138 11.461 9.195 6.197 1066 1HD LYS 138 2HD LYS 138 11.388 10.879 8.717 1067 2HD LYS 138 1HD LYS 138 11.664 9.140 8.694 1068 1HE LYS 138 2HE LYS 138 13.771 9.345 7.772 1069 2HE LYS 138 1HE LYS 138 13.365 10.827 6.911 1070 1HZ LYS 138 1HE LYS 138 13.220 11.883 9.189 1071 2HZ LYS 138 2HE LYS 138 14.776 11.482 8.637 1072 3HZ LYS 138 3HE LYS 138 13.996 10.496 9.781 1073 H VAL 139 HN VAL 139 8.011 11.511 8.201 1074 HA VAL 139 HA VAL 139 9.228 13.259 10.263 1075 HB VAL 139 HB VAL 139 7.125 12.863 11.506 1076 1HG1 VAL 139 1HG1 VAL 139 7.457 14.511 9.446 1077 2HG1 VAL 139 2HG1 VAL 139 5.878 14.318 10.206 1078 3HG1 VAL 139 3HG1 VAL 139 6.246 13.462 8.709 1079 1HG2 VAL 139 1HG2 VAL 139 6.390 11.170 9.093 1080 2HG2 VAL 139 2HG2 VAL 139 5.314 11.578 10.428 1081 3HG2 VAL 139 3HG2 VAL 139 6.720 10.552 10.711 1082 H SER 140 HN SER 140 8.812 9.863 9.520 1083 HA SER 140 HA SER 140 10.431 9.216 11.916 1084 1HB SER 140 2HB SER 140 7.681 8.093 11.354 1085 2HB SER 140 1HB SER 140 8.837 7.282 12.407 1086 HG SER 140 HG SER 140 7.226 9.337 12.952 1087 H SER 141 HN SER 141 11.735 7.407 11.609 1088 HA SER 141 HA SER 141 11.288 5.694 9.248 1089 1HB SER 141 2HB SER 141 14.021 6.242 9.165 1090 2HB SER 141 1HB SER 141 12.816 6.814 8.017 1091 HG SER 141 HG SER 141 13.654 8.079 10.422 1092 H ARG 142 HN ARG 142 11.885 3.591 9.737 1093 HA ARG 142 HA ARG 142 13.714 3.196 12.068 1094 1HB ARG 142 2HB ARG 142 11.116 2.611 12.261 1095 2HB ARG 142 1HB ARG 142 11.623 1.156 11.401 1096 1HG ARG 142 2HG ARG 142 13.453 0.904 13.153 1097 2HG ARG 142 1HG ARG 142 12.635 2.171 14.066 1098 1HD ARG 142 2HD ARG 142 11.606 0.320 14.981 1099 2HD ARG 142 1HD ARG 142 10.514 0.616 13.630 1100 HE ARG 142 HE ARG 142 12.167 -1.075 12.422 1101 1HH1 ARG 142 1HH2 ARG 142 11.048 -1.149 15.717 1102 2HH1 ARG 142 2HH2 ARG 142 11.196 -2.866 15.844 1103 1HH2 ARG 142 1HH1 ARG 142 12.343 -3.304 12.610 1104 2HH2 ARG 142 2HH1 ARG 142 11.921 -4.080 14.100 1105 H THR 143 HN THR 143 15.523 2.035 11.460 1106 HA THR 143 HA THR 143 15.375 0.538 8.884 1107 HB THR 143 HB THR 143 17.901 1.335 10.333 1108 HG1 THR 143 HG1 THR 143 16.716 3.215 9.992 1109 1HG2 THR 143 1HG2 THR 143 18.890 0.398 8.549 1110 2HG2 THR 143 2HG2 THR 143 17.973 1.438 7.461 1111 3HG2 THR 143 3HG2 THR 143 17.306 -0.114 7.969 1112 H VAL 144 HN VAL 144 15.603 -1.657 8.948 1113 HA VAL 144 HA VAL 144 16.721 -2.856 11.444 1114 HB VAL 144 HB VAL 144 14.270 -3.074 11.476 1115 1HG1 VAL 144 1HG1 VAL 144 13.118 -4.343 9.719 1116 2HG1 VAL 144 2HG1 VAL 144 14.640 -4.543 8.849 1117 3HG1 VAL 144 3HG1 VAL 144 13.929 -2.939 9.025 1118 1HG2 VAL 144 1HG2 VAL 144 14.155 -5.543 11.657 1119 2HG2 VAL 144 2HG2 VAL 144 15.625 -4.914 12.400 1120 3HG2 VAL 144 3HG2 VAL 144 15.695 -5.671 10.808 1121 H GLU 145 HN GLU 145 18.267 -4.361 11.080 1122 HA GLU 145 HA GLU 145 18.980 -4.994 8.295 1123 1HB GLU 145 2HB GLU 145 20.303 -5.377 10.975 1124 2HB GLU 145 1HB GLU 145 20.905 -6.224 9.549 1125 1HG GLU 145 HG2 GLU 145 21.522 -4.245 8.469 1126 2HG GLU 145 HG1 GLU 145 20.404 -3.263 9.418 1127 H ASP 146 HN ASP 146 19.449 -7.270 7.691 1128 HA ASP 146 HA ASP 146 17.929 -9.282 9.272 1129 1HB ASP 146 2HB ASP 146 16.987 -8.116 6.872 1130 2HB ASP 146 1HB ASP 146 17.533 -9.737 6.445 1131 H THR 147 HN THR 147 18.564 -11.501 8.756 1132 HA THR 147 HA THR 147 21.364 -11.870 8.400 1133 HB THR 147 HB THR 147 20.623 -14.316 7.958 1134 HG1 THR 147 HG1 THR 147 18.584 -14.367 7.454 1135 1HG2 THR 147 1HG2 THR 147 19.772 -12.833 10.459 1136 2HG2 THR 147 2HG2 THR 147 21.362 -13.528 10.148 1137 3HG2 THR 147 3HG2 THR 147 19.961 -14.582 10.342 1138 H ASN 148 HN ASN 148 18.920 -11.307 6.095 1139 HA ASN 148 HA ASN 148 20.622 -12.423 3.908 1140 1HB ASN 148 2HB ASN 148 17.991 -12.859 4.259 1141 2HB ASN 148 1HB ASN 148 17.908 -11.385 3.295 1142 1HD2 ASN 148 1HD2 ASN 148 18.135 -11.641 1.056 1143 2HD2 ASN 148 2HD2 ASN 148 18.745 -13.035 0.303 1144 HA PRO 149 HA PRO 149 22.165 -8.336 3.060 1145 1HB PRO 149 2HB PRO 149 22.427 -9.054 0.271 1146 2HB PRO 149 1HB PRO 149 23.699 -8.842 1.481 1147 1HG PRO 149 2HG PRO 149 22.639 -11.287 0.397 1148 2HG PRO 149 1HG PRO 149 23.994 -11.066 1.513 1149 1HD PRO 149 2HD PRO 149 21.513 -12.200 2.142 1150 2HD PRO 149 1HD PRO 149 22.735 -11.651 3.301 1151 H ALA 150 HN ALA 150 19.967 -9.809 0.648 1152 HA ALA 150 HA ALA 150 19.029 -7.193 -0.238 1153 1HB ALA 150 1HB ALA 150 18.253 -10.039 -0.865 1154 2HB ALA 150 2HB ALA 150 19.001 -8.842 -1.924 1155 3HB ALA 150 3HB ALA 150 17.307 -8.679 -1.467 1156 H LEU 151 HN LEU 151 17.829 -9.689 1.995 1157 HA LEU 151 HA LEU 151 15.184 -8.572 2.214 1158 1HB LEU 151 2HB LEU 151 16.732 -10.297 4.169 1159 2HB LEU 151 1HB LEU 151 15.014 -9.944 4.282 1160 HG LEU 151 HG LEU 151 16.394 -11.402 2.008 1161 1HD1 LEU 151 1HD1 LEU 151 14.503 -12.264 4.210 1162 2HD1 LEU 151 2HD1 LEU 151 16.135 -12.853 3.905 1163 3HD1 LEU 151 3HD1 LEU 151 14.834 -13.249 2.786 1164 1HD2 LEU 151 1HD2 LEU 151 14.482 -9.939 1.277 1165 2HD2 LEU 151 2HD2 LEU 151 13.440 -10.817 2.394 1166 3HD2 LEU 151 3HD2 LEU 151 14.178 -11.657 1.032 1167 H THR 152 HN THR 152 18.103 -7.236 3.152 1168 HA THR 152 HA THR 152 17.333 -6.068 5.698 1169 HB THR 152 HB THR 152 19.340 -4.989 3.693 1170 HG1 THR 152 HG1 THR 152 19.772 -6.855 5.779 1171 1HG2 THR 152 1HG2 THR 152 18.470 -3.895 6.035 1172 2HG2 THR 152 2HG2 THR 152 20.082 -3.641 5.367 1173 3HG2 THR 152 3HG2 THR 152 19.825 -4.872 6.602 1174 H HIS 153 HN HIS 153 16.476 -3.871 6.002 1175 HA HIS 153 HA HIS 153 15.978 -2.181 3.705 1176 1HB HIS 153 2HB HIS 153 13.486 -2.408 3.695 1177 2HB HIS 153 1HB HIS 153 14.328 -3.849 3.131 1178 HD1 HIS 153 HD1 HIS 153 14.721 -5.738 5.089 1179 HD2 HIS 153 HD2 HIS 153 11.728 -2.918 5.771 1180 HE1 HIS 153 HE1 HIS 153 13.235 -6.696 6.903 1181 H THR 154 HN THR 154 14.289 -0.442 4.273 1182 HA THR 154 HA THR 154 14.321 0.168 7.192 1183 HB THR 154 HB THR 154 14.853 2.235 5.047 1184 HG1 THR 154 HG1 THR 154 16.685 1.203 4.892 1185 1HG2 THR 154 1HG2 THR 154 14.277 3.424 6.932 1186 2HG2 THR 154 2HG2 THR 154 15.993 3.192 7.260 1187 3HG2 THR 154 3HG2 THR 154 14.800 2.145 8.026 1188 H TYR 155 HN TYR 155 12.600 1.692 7.800 1189 HA TYR 155 HA TYR 155 10.332 1.657 5.847 1190 1HB TYR 155 2HB TYR 155 10.254 1.900 8.873 1191 2HB TYR 155 1HB TYR 155 8.853 1.824 7.806 1192 HD1 TYR 155 HD1 TYR 155 8.492 -0.260 6.396 1193 HD2 TYR 155 HD2 TYR 155 11.363 -0.073 9.585 1194 HE1 TYR 155 HE1 TYR 155 8.558 -2.738 6.482 1195 HE2 TYR 155 HE2 TYR 155 11.431 -2.550 9.670 1196 HH TYR 155 HH TYR 155 10.582 -4.494 7.410 1197 H GLU 156 HN GLU 156 9.736 3.654 5.059 1198 HA GLU 156 HA GLU 156 10.661 6.042 6.604 1199 1HB GLU 156 2HB GLU 156 10.412 5.552 3.635 1200 2HB GLU 156 1HB GLU 156 10.540 7.174 4.308 1201 1HG GLU 156 HG2 GLU 156 12.545 5.445 5.478 1202 2HG GLU 156 HG1 GLU 156 12.658 5.412 3.718 1203 H VAL 157 HN VAL 157 9.052 7.299 7.386 1204 HA VAL 157 HA VAL 157 6.341 7.077 6.131 1205 HB VAL 157 HB VAL 157 6.965 7.905 8.980 1206 1HG1 VAL 157 1HG1 VAL 157 4.534 7.586 7.320 1207 2HG1 VAL 157 2HG1 VAL 157 4.808 8.603 8.734 1208 3HG1 VAL 157 3HG1 VAL 157 4.434 6.892 8.938 1209 1HG2 VAL 157 1HG2 VAL 157 6.737 5.229 7.720 1210 2HG2 VAL 157 2HG2 VAL 157 5.796 5.453 9.195 1211 3HG2 VAL 157 3HG2 VAL 157 7.542 5.703 9.216 1212 H TRP 158 HN TRP 158 5.597 8.957 5.211 1213 HA TRP 158 HA TRP 158 6.978 11.496 5.999 1214 1HB TRP 158 2HB TRP 158 5.726 10.762 3.341 1215 2HB TRP 158 1HB TRP 158 6.472 12.310 3.721 1216 HD1 TRP 158 HD1 TRP 158 7.548 8.587 3.985 1217 HE1 TRP 158 HE1 TRP 158 9.991 8.420 3.178 1218 HE3 TRP 158 HE3 TRP 158 8.466 13.484 2.904 1219 HZ2 TRP 158 HZ2 TRP 158 12.064 10.136 2.211 1220 HZ3 TRP 158 HZ3 TRP 158 10.675 14.196 2.043 1221 HH2 TRP 158 HH2 TRP 158 12.476 12.529 1.695 1222 H GLN 159 HN GLN 159 5.632 13.468 5.644 1223 HA GLN 159 HA GLN 159 2.703 13.018 5.980 1224 1HB GLN 159 2HB GLN 159 4.537 14.660 7.748 1225 2HB GLN 159 1HB GLN 159 2.799 14.952 7.676 1226 1HG GLN 159 2HG GLN 159 2.737 12.299 8.051 1227 2HG GLN 159 1HG GLN 159 4.287 12.636 8.823 1228 1HE2 GLN 159 1HE2 GLN 159 3.876 12.740 11.045 1229 2HE2 GLN 159 2HE2 GLN 159 2.611 13.622 11.754 1230 H LYS 160 HN LYS 160 1.467 14.662 4.862 1231 HA LYS 160 HA LYS 160 2.907 16.167 2.883 1232 1HB LYS 160 2HB LYS 160 0.481 15.231 2.838 1233 2HB LYS 160 1HB LYS 160 0.061 16.715 3.691 1234 1HG LYS 160 2HG LYS 160 1.764 17.473 1.553 1235 2HG LYS 160 1HG LYS 160 0.583 16.348 0.882 1236 1HD LYS 160 2HD LYS 160 -0.294 18.582 2.703 1237 2HD LYS 160 1HD LYS 160 -0.041 18.872 0.981 1238 1HE LYS 160 2HE LYS 160 -1.522 16.668 0.759 1239 2HE LYS 160 1HE LYS 160 -2.108 17.190 2.338 1240 1HZ LYS 160 1HE LYS 160 -3.420 18.595 1.261 1241 2HZ LYS 160 2HE LYS 160 -2.680 18.257 -0.230 1242 3HZ LYS 160 3HE LYS 160 -2.043 19.462 0.784 1243 H LYS 161 HN LYS 161 3.701 18.192 2.988 1244 HA LYS 161 HA LYS 161 3.376 19.734 5.477 1245 1HB LYS 161 2HB LYS 161 4.973 20.303 2.959 1246 2HB LYS 161 1HB LYS 161 5.039 21.259 4.439 1247 1HG LYS 161 2HG LYS 161 5.489 18.313 4.658 1248 2HG LYS 161 1HG LYS 161 6.787 19.300 3.986 1249 1HD LYS 161 2HD LYS 161 7.375 19.817 6.100 1250 2HD LYS 161 1HD LYS 161 5.875 20.736 6.220 1251 1HE LYS 161 2HE LYS 161 4.731 18.986 7.269 1252 2HE LYS 161 1HE LYS 161 5.841 17.761 6.653 1253 1HZ LYS 161 1HE LYS 161 6.908 19.835 8.423 1254 2HZ LYS 161 2HE LYS 161 7.380 18.212 8.246 1255 3HZ LYS 161 3HE LYS 161 5.974 18.601 9.117 1256 H ALA 162 HN ALA 162 2.688 22.007 5.404 1257 HA ALA 162 HA ALA 162 0.519 22.400 3.410 1258 1HB ALA 162 1HB ALA 162 0.043 24.414 5.011 1259 2HB ALA 162 2HB ALA 162 1.131 23.570 6.113 1260 3HB ALA 162 3HB ALA 162 -0.344 22.782 5.555 1261 AH51 NDP 168 AH51 NDP 168 -6.272 -2.210 -8.310 1262 AH52 NDP 168 AH52 NDP 168 -6.082 -0.945 -9.528 1263 AH4* NDP 168 AH4* NDP 168 -7.775 -3.445 -9.920 1264 AH3* NDP 168 AH3* NDP 168 -7.360 -0.991 -11.644 1265 AHO3 NDP 168 AHO3 NDP 168 -7.543 -2.722 -13.216 1266 AH2* NDP 168 AH2* NDP 168 -9.652 -1.190 -12.309 1267 AH1* NDP 168 AH1* NDP 168 -10.648 -1.631 -9.774 1268 AH8 NDP 168 AH8 NDP 168 -7.663 0.764 -10.154 1269 AH61 NDP 168 AH61 NDP 168 -11.974 5.221 -9.962 1270 AH62 NDP 168 AH62 NDP 168 -10.262 4.881 -9.916 1271 AH2 NDP 168 AH2 NDP 168 -14.076 1.254 -9.998 1272 NH51 NDP 168 NH51 NDP 168 -1.718 -5.055 -9.830 1273 NH52 NDP 168 NH52 NDP 168 -1.448 -4.087 -8.375 1274 NH4* NDP 168 NH4* NDP 168 0.640 -5.773 -9.846 1275 NH3* NDP 168 NH3* NDP 168 -0.799 -6.271 -7.227 1276 NHO3 NDP 168 NHO3 NDP 168 -1.239 -7.339 -9.410 1277 NH2* NDP 168 NH2* NDP 168 1.209 -7.352 -6.473 1278 NHO2 NDP 168 NHO2 NDP 168 2.856 -7.145 -8.572 1279 NH1* NDP 168 NH1* NDP 168 2.943 -5.437 -7.503 1280 NH2 NDP 168 NH2 NDP 168 3.647 -4.219 -5.571 1281 NH71 NDP 168 NH71 NDP 168 5.132 -3.826 -4.801 1282 NH72 NDP 168 NH72 NDP 168 5.684 -2.850 -3.459 1283 NH41 NDP 168 NH41 NDP 168 0.720 -2.740 -3.321 1284 NH42 NDP 168 NH42 NDP 168 1.093 -4.299 -2.512 1285 NH5 NDP 168 NH5 NDP 168 -1.011 -4.452 -3.820 1286 NH6 NDP 168 NH6 NDP 168 -0.484 -5.562 -6.048 1287 H1 TRR 170 H1 TRR 170 4.837 -5.243 1.524 1288 1H2 TRR 170 1H2 TRR 170 5.861 -3.251 2.349 1289 2H2 TRR 170 2H2 TRR 170 5.023 -1.762 2.250 1290 1H4 TRR 170 1H4 TRR 170 -0.095 -3.035 -0.269 1291 2H4 TRR 170 2H4 TRR 170 0.626 -1.611 0.315 1292 H6 TRR 170 H6 TRR 170 3.027 -6.463 0.493 1293 1H7 TRR 170 1H7 TRR 170 0.504 -4.927 -1.339 1294 2H7 TRR 170 2H7 TRR 170 -0.223 -5.173 0.247 1295 H12 TRR 170 H12 TRR 170 1.614 -6.717 -2.500 1296 H16 TRR 170 H16 TRR 170 0.108 -7.246 1.505 1297 1H17 TRR 170 1H17 TRR 170 2.883 -8.999 -4.811 1298 2H17 TRR 170 2H17 TRR 170 3.003 -7.653 -3.688 1299 3H17 TRR 170 3H17 TRR 170 1.470 -8.013 -4.469 1300 1H18 TRR 170 1H18 TRR 170 -0.535 -11.746 -1.208 1301 2H18 TRR 170 2H18 TRR 170 0.798 -12.669 -1.884 1302 3H18 TRR 170 3H18 TRR 170 0.311 -11.154 -2.630 1303 1H19 TRR 170 1H19 TRR 170 -0.686 -10.112 3.289 1304 2H19 TRR 170 2H19 TRR 170 -0.852 -8.556 2.498 1305 3H19 TRR 170 3H19 TRR 170 0.643 -8.964 3.317 Start of MODEL 4 1 1H THR 1 1H THR 1 -6.628 10.640 3.179 2 2H THR 1 2H THR 1 -5.023 11.129 3.440 3 3H THR 1 3H THR 1 -5.697 9.882 4.376 4 HA THR 1 HA THR 1 -5.714 8.382 2.599 5 HB THR 1 HB THR 1 -4.798 10.574 0.743 6 HG1 THR 1 HG1 THR 1 -6.749 11.316 1.077 7 1HG2 THR 1 1HG2 THR 1 -4.674 8.868 -0.714 8 2HG2 THR 1 2HG2 THR 1 -6.378 8.505 -0.442 9 3HG2 THR 1 3HG2 THR 1 -5.145 7.747 0.564 10 H ALA 2 HN ALA 2 -3.937 7.146 2.857 11 HA ALA 2 HA ALA 2 -1.275 8.502 2.755 12 1HB ALA 2 1HB ALA 2 -1.840 6.093 4.481 13 2HB ALA 2 2HB ALA 2 -2.147 7.725 5.075 14 3HB ALA 2 3HB ALA 2 -0.515 7.248 4.610 15 H PHE 3 HN PHE 3 0.441 7.206 1.886 16 HA PHE 3 HA PHE 3 -0.528 4.955 0.177 17 1HB PHE 3 2HB PHE 3 1.744 6.916 -0.035 18 2HB PHE 3 1HB PHE 3 1.874 5.356 -0.836 19 HD1 PHE 3 HD1 PHE 3 -1.534 6.520 -0.539 20 HD2 PHE 3 HD2 PHE 3 2.022 6.827 -2.932 21 HE1 PHE 3 HE1 PHE 3 -2.876 7.382 -2.436 22 HE2 PHE 3 HE2 PHE 3 0.673 7.684 -4.822 23 HZ PHE 3 HZ PHE 3 -1.776 7.962 -4.573 24 H LEU 4 HN LEU 4 0.228 2.884 0.646 25 HA LEU 4 HA LEU 4 2.558 2.688 2.502 26 1HB LEU 4 2HB LEU 4 0.595 2.343 3.876 27 2HB LEU 4 1HB LEU 4 -0.102 1.242 2.691 28 HG LEU 4 HG LEU 4 1.846 -0.299 3.061 29 1HD1 LEU 4 1HD1 LEU 4 2.520 1.863 5.041 30 2HD1 LEU 4 2HD1 LEU 4 3.580 1.044 3.894 31 3HD1 LEU 4 3HD1 LEU 4 3.023 0.200 5.339 32 1HD2 LEU 4 1HD2 LEU 4 -0.261 -0.694 4.236 33 2HD2 LEU 4 2HD2 LEU 4 0.197 0.455 5.494 34 3HD2 LEU 4 3HD2 LEU 4 1.087 -1.056 5.313 35 H TRP 5 HN TRP 5 3.870 2.089 0.667 36 HA TRP 5 HA TRP 5 3.244 -0.656 -0.318 37 1HB TRP 5 2HB TRP 5 3.946 -0.117 -2.534 38 2HB TRP 5 1HB TRP 5 2.828 1.152 -2.053 39 HD1 TRP 5 HD1 TRP 5 6.272 0.594 -3.307 40 HE1 TRP 5 HE1 TRP 5 7.571 2.821 -3.378 41 HE3 TRP 5 HE3 TRP 5 3.112 3.548 -0.587 42 HZ2 TRP 5 HZ2 TRP 5 7.304 5.501 -2.409 43 HZ3 TRP 5 HZ3 TRP 5 3.660 5.930 -0.179 44 HH2 TRP 5 HH2 TRP 5 5.748 6.909 -1.085 45 H ALA 6 HN ALA 6 5.342 -1.595 -1.378 46 HA ALA 6 HA ALA 6 7.729 -0.773 0.212 47 1HB ALA 6 1HB ALA 6 6.488 -3.515 -0.040 48 2HB ALA 6 2HB ALA 6 7.022 -2.682 1.420 49 3HB ALA 6 3HB ALA 6 8.210 -3.330 0.290 50 H GLN 7 HN GLN 7 9.378 -0.389 -1.192 51 HA GLN 7 HA GLN 7 9.336 -1.862 -3.790 52 1HB GLN 7 2HB GLN 7 10.385 0.222 -4.760 53 2HB GLN 7 1HB GLN 7 8.707 0.406 -4.258 54 1HG GLN 7 2HG GLN 7 9.250 1.968 -2.724 55 2HG GLN 7 1HG GLN 7 10.528 0.954 -2.054 56 1HE2 GLN 7 1HE2 GLN 7 9.844 3.320 -4.651 57 2HE2 GLN 7 2HE2 GLN 7 11.465 3.762 -4.892 58 H ASP 8 HN ASP 8 11.448 -2.232 -4.751 59 HA ASP 8 HA ASP 8 13.488 -2.790 -2.729 60 1HB ASP 8 2HB ASP 8 14.745 -3.773 -4.619 61 2HB ASP 8 1HB ASP 8 13.088 -4.376 -4.578 62 H ARG 9 HN ARG 9 15.858 -2.255 -4.137 63 HA ARG 9 HA ARG 9 16.251 0.501 -3.507 64 1HB ARG 9 2HB ARG 9 18.456 0.235 -4.623 65 2HB ARG 9 1HB ARG 9 18.115 -1.065 -3.485 66 1HG ARG 9 2HG ARG 9 18.641 -2.452 -5.196 67 2HG ARG 9 1HG ARG 9 17.042 -2.055 -5.819 68 1HD ARG 9 2HD ARG 9 17.988 -1.090 -7.615 69 2HD ARG 9 1HD ARG 9 18.807 0.063 -6.566 70 HE ARG 9 HE ARG 9 19.976 -2.404 -7.686 71 1HH1 ARG 9 1HH1 ARG 9 20.217 0.246 -5.444 72 2HH1 ARG 9 2HH1 ARG 9 21.925 0.072 -5.251 73 1HH2 ARG 9 1HH2 ARG 9 22.193 -2.611 -7.419 74 2HH2 ARG 9 2HH2 ARG 9 23.038 -1.533 -6.359 75 H ASP 10 HN ASP 10 15.720 -1.109 -6.670 76 HA ASP 10 HA ASP 10 16.016 1.317 -8.205 77 1HB ASP 10 2HB ASP 10 14.811 -1.393 -8.734 78 2HB ASP 10 1HB ASP 10 14.614 -0.086 -9.902 79 H GLY 11 HN GLY 11 13.336 -0.259 -6.600 80 1HA GLY 11 2HA GLY 11 11.509 1.198 -5.753 81 2HA GLY 11 1HA GLY 11 11.657 2.139 -7.231 82 H LEU 12 HN LEU 12 11.579 -1.407 -7.006 83 HA LEU 12 HA LEU 12 9.340 -1.439 -8.931 84 1HB LEU 12 2HB LEU 12 11.402 -3.035 -8.898 85 2HB LEU 12 1HB LEU 12 10.539 -3.868 -7.605 86 HG LEU 12 HG LEU 12 8.517 -3.841 -9.229 87 1HD1 LEU 12 1HD1 LEU 12 10.322 -2.381 -10.767 88 2HD1 LEU 12 2HD1 LEU 12 8.823 -3.110 -11.340 89 3HD1 LEU 12 3HD1 LEU 12 10.344 -3.984 -11.504 90 1HD2 LEU 12 1HD2 LEU 12 10.913 -5.529 -9.989 91 2HD2 LEU 12 2HD2 LEU 12 9.210 -5.954 -10.167 92 3HD2 LEU 12 3HD2 LEU 12 9.927 -5.830 -8.559 93 H ILE 13 HN ILE 13 7.280 -2.601 -8.400 94 HA ILE 13 HA ILE 13 6.853 -2.990 -5.486 95 HB ILE 13 HB ILE 13 4.579 -1.891 -5.801 96 1HG1 ILE 13 2HG1 ILE 13 5.648 -0.288 -8.041 97 2HG1 ILE 13 1HG1 ILE 13 5.228 -1.948 -8.462 98 1HG2 ILE 13 1HG2 ILE 13 6.921 -0.874 -4.962 99 2HG2 ILE 13 2HG2 ILE 13 5.446 0.090 -5.037 100 3HG2 ILE 13 3HG2 ILE 13 6.633 0.193 -6.338 101 1HD1 ILE 13 1HD1 ILE 13 3.468 0.281 -7.995 102 2HD1 ILE 13 2HD1 ILE 13 3.138 -0.976 -6.803 103 3HD1 ILE 13 3HD1 ILE 13 3.059 -1.351 -8.524 104 H GLY 14 HN GLY 14 6.340 -4.002 -8.727 105 1HA GLY 14 2HA GLY 14 4.611 -6.211 -7.722 106 2HA GLY 14 1HA GLY 14 4.157 -5.354 -9.197 107 H LYS 15 HN LYS 15 5.146 -8.216 -8.593 108 HA LYS 15 HA LYS 15 7.101 -8.253 -10.843 109 1HB LYS 15 2HB LYS 15 8.130 -8.455 -8.435 110 2HB LYS 15 1HB LYS 15 7.495 -10.097 -8.503 111 1HG LYS 15 2HG LYS 15 8.906 -9.282 -10.952 112 2HG LYS 15 1HG LYS 15 9.934 -9.304 -9.519 113 1HD LYS 15 2HD LYS 15 8.140 -11.627 -9.709 114 2HD LYS 15 1HD LYS 15 9.295 -11.517 -11.038 115 1HE LYS 15 2HE LYS 15 11.016 -11.013 -9.102 116 2HE LYS 15 1HE LYS 15 9.815 -11.826 -8.099 117 1HZ LYS 15 1HE LYS 15 10.215 -13.802 -9.061 118 2HZ LYS 15 2HE LYS 15 11.716 -13.105 -9.445 119 3HZ LYS 15 3HE LYS 15 10.473 -13.142 -10.603 120 H ASP 16 HN ASP 16 5.212 -9.017 -12.093 121 HA ASP 16 HA ASP 16 3.874 -10.694 -12.992 122 1HB ASP 16 2HB ASP 16 6.342 -11.946 -12.059 123 2HB ASP 16 1HB ASP 16 4.991 -13.077 -12.060 124 H GLY 17 HN GLY 17 2.666 -9.647 -10.731 125 1HA GLY 17 2HA GLY 17 0.772 -10.370 -9.504 126 2HA GLY 17 1HA GLY 17 1.309 -12.039 -9.690 127 H HIS 18 HN HIS 18 2.949 -12.829 -8.275 128 HA HIS 18 HA HIS 18 2.748 -11.917 -5.575 129 1HB HIS 18 2HB HIS 18 4.564 -13.542 -5.124 130 2HB HIS 18 1HB HIS 18 3.306 -14.239 -6.145 131 HD1 HIS 18 HD1 HIS 18 6.904 -13.463 -6.068 132 HD2 HIS 18 HD2 HIS 18 4.064 -14.331 -8.994 133 HE1 HIS 18 HE1 HIS 18 8.194 -14.049 -8.167 134 H LEU 19 HN LEU 19 4.232 -10.797 -4.262 135 HA LEU 19 HA LEU 19 5.613 -8.589 -5.298 136 1HB LEU 19 2HB LEU 19 5.770 -10.135 -2.747 137 2HB LEU 19 1HB LEU 19 7.095 -9.026 -3.094 138 HG LEU 19 HG LEU 19 4.194 -8.187 -3.260 139 1HD1 LEU 19 1HD1 LEU 19 6.104 -7.877 -0.925 140 2HD1 LEU 19 2HD1 LEU 19 4.722 -8.972 -0.965 141 3HD1 LEU 19 3HD1 LEU 19 4.467 -7.227 -1.019 142 1HD2 LEU 19 1HD2 LEU 19 5.928 -6.818 -4.434 143 2HD2 LEU 19 2HD2 LEU 19 6.755 -6.605 -2.891 144 3HD2 LEU 19 3HD2 LEU 19 5.139 -5.942 -3.125 145 HA PRO 20 HA PRO 20 9.282 -10.118 -7.223 146 1HB PRO 20 2HB PRO 20 10.915 -7.952 -6.190 147 2HB PRO 20 1HB PRO 20 10.306 -8.198 -7.834 148 1HG PRO 20 2HG PRO 20 9.454 -6.218 -6.108 149 2HG PRO 20 1HG PRO 20 8.553 -6.800 -7.511 150 1HD PRO 20 2HD PRO 20 8.105 -7.341 -4.635 151 2HD PRO 20 1HD PRO 20 6.954 -7.368 -5.987 152 H TRP 21 HN TRP 21 9.434 -9.266 -3.796 153 HA TRP 21 HA TRP 21 11.591 -11.316 -3.467 154 1HB TRP 21 2HB TRP 21 12.378 -9.886 -1.539 155 2HB TRP 21 1HB TRP 21 12.560 -9.109 -3.116 156 HD1 TRP 21 HD1 TRP 21 10.255 -9.116 -0.046 157 HE1 TRP 21 HE1 TRP 21 8.937 -6.901 -0.004 158 HE3 TRP 21 HE3 TRP 21 11.779 -7.100 -4.483 159 HZ2 TRP 21 HZ2 TRP 21 8.579 -4.582 -1.635 160 HZ3 TRP 21 HZ3 TRP 21 10.930 -4.889 -5.214 161 HH2 TRP 21 HH2 TRP 21 9.335 -3.634 -3.797 162 H HIS 22 HN HIS 22 11.363 -12.645 -1.611 163 HA HIS 22 HA HIS 22 8.658 -12.589 -0.382 164 1HB HIS 22 2HB HIS 22 9.972 -14.687 -1.394 165 2HB HIS 22 1HB HIS 22 10.637 -14.740 0.239 166 HD1 HIS 22 HD1 HIS 22 7.268 -14.692 -1.528 167 HD2 HIS 22 HD2 HIS 22 8.908 -15.813 2.137 168 HE1 HIS 22 HE1 HIS 22 5.422 -15.856 -0.243 169 H LEU 23 HN LEU 23 8.764 -11.055 1.258 170 HA LEU 23 HA LEU 23 10.749 -11.602 3.425 171 1HB LEU 23 2HB LEU 23 11.466 -9.597 2.192 172 2HB LEU 23 1HB LEU 23 9.870 -8.881 2.405 173 HG LEU 23 HG LEU 23 10.230 -9.081 4.910 174 1HD1 LEU 23 1HD1 LEU 23 12.727 -9.189 5.510 175 2HD1 LEU 23 2HD1 LEU 23 12.956 -9.876 3.903 176 3HD1 LEU 23 3HD1 LEU 23 11.946 -10.711 5.080 177 1HD2 LEU 23 1HD2 LEU 23 11.331 -7.003 5.015 178 2HD2 LEU 23 2HD2 LEU 23 10.714 -7.023 3.363 179 3HD2 LEU 23 3HD2 LEU 23 12.406 -7.403 3.675 180 HA PRO 24 HA PRO 24 6.733 -11.909 5.518 181 1HB PRO 24 2HB PRO 24 8.095 -12.815 7.861 182 2HB PRO 24 1HB PRO 24 7.154 -13.777 6.714 183 1HG PRO 24 2HG PRO 24 9.959 -13.815 7.103 184 2HG PRO 24 1HG PRO 24 9.027 -14.680 5.875 185 1HD PRO 24 2HD PRO 24 10.728 -12.345 5.560 186 2HD PRO 24 1HD PRO 24 9.991 -13.362 4.315 187 H ASP 25 HN ASP 25 9.712 -10.467 6.765 188 HA ASP 25 HA ASP 25 8.580 -9.059 8.974 189 1HB ASP 25 2HB ASP 25 11.099 -9.366 8.018 190 2HB ASP 25 1HB ASP 25 10.760 -7.726 7.462 191 H ASP 26 HN ASP 26 8.643 -8.354 5.526 192 HA ASP 26 HA ASP 26 7.748 -5.598 5.857 193 1HB ASP 26 2HB ASP 26 9.009 -6.155 3.866 194 2HB ASP 26 1HB ASP 26 7.871 -7.432 3.445 195 H LEU 27 HN LEU 27 6.199 -8.692 4.924 196 HA LEU 27 HA LEU 27 3.594 -7.756 4.436 197 1HB LEU 27 2HB LEU 27 4.495 -10.316 5.798 198 2HB LEU 27 1HB LEU 27 2.845 -10.018 5.250 199 HG LEU 27 HG LEU 27 5.180 -9.719 3.367 200 1HD1 LEU 27 1HD1 LEU 27 5.488 -11.957 4.027 201 2HD1 LEU 27 2HD1 LEU 27 4.424 -12.100 2.629 202 3HD1 LEU 27 3HD1 LEU 27 3.761 -12.223 4.259 203 1HD2 LEU 27 1HD2 LEU 27 2.361 -10.610 2.767 204 2HD2 LEU 27 2HD2 LEU 27 3.530 -9.855 1.683 205 3HD2 LEU 27 3HD2 LEU 27 2.748 -8.898 2.941 206 H HIS 28 HN HIS 28 5.119 -8.603 7.550 207 HA HIS 28 HA HIS 28 2.838 -8.091 9.195 208 1HB HIS 28 2HB HIS 28 5.799 -7.823 9.810 209 2HB HIS 28 1HB HIS 28 4.520 -7.781 11.023 210 HD1 HIS 28 HD1 HIS 28 2.714 -10.033 10.257 211 HD2 HIS 28 HD2 HIS 28 6.860 -10.367 9.973 212 HE1 HIS 28 HE1 HIS 28 3.237 -12.511 10.288 213 H TYR 29 HN TYR 29 5.384 -5.989 7.909 214 HA TYR 29 HA TYR 29 4.658 -3.625 9.369 215 1HB TYR 29 2HB TYR 29 6.789 -3.978 8.031 216 2HB TYR 29 1HB TYR 29 5.827 -3.730 6.574 217 HD1 TYR 29 HD1 TYR 29 6.656 -2.135 9.857 218 HD2 TYR 29 HD2 TYR 29 5.417 -1.557 5.785 219 HE1 TYR 29 HE1 TYR 29 6.843 0.320 10.149 220 HE2 TYR 29 HE2 TYR 29 5.603 0.899 6.077 221 HH TYR 29 HH TYR 29 6.374 2.542 7.428 222 H PHE 30 HN PHE 30 3.522 -5.070 6.362 223 HA PHE 30 HA PHE 30 1.857 -2.859 5.543 224 1HB PHE 30 2HB PHE 30 2.600 -4.648 3.994 225 2HB PHE 30 1HB PHE 30 1.626 -5.813 4.888 226 HD1 PHE 30 HD1 PHE 30 1.145 -2.367 3.452 227 HD2 PHE 30 HD2 PHE 30 -0.403 -6.347 3.913 228 HE1 PHE 30 HE1 PHE 30 -0.840 -1.753 2.096 229 HE2 PHE 30 HE2 PHE 30 -2.387 -5.734 2.558 230 HZ PHE 30 HZ PHE 30 -2.604 -3.440 1.649 231 H ARG 31 HN ARG 31 1.137 -5.954 7.183 232 HA ARG 31 HA ARG 31 -1.639 -5.417 7.617 233 1HB ARG 31 2HB ARG 31 -0.654 -7.671 7.785 234 2HB ARG 31 1HB ARG 31 0.283 -7.164 9.187 235 1HG ARG 31 2HG ARG 31 -2.014 -6.527 10.222 236 2HG ARG 31 1HG ARG 31 -2.695 -7.554 8.960 237 1HD ARG 31 2HD ARG 31 -2.383 -9.088 10.697 238 2HD ARG 31 1HD ARG 31 -0.894 -9.277 9.772 239 HE ARG 31 HE ARG 31 -0.897 -7.356 12.036 240 1HH1 ARG 31 1HH2 ARG 31 0.102 -10.384 10.640 241 2HH1 ARG 31 2HH2 ARG 31 1.382 -10.613 11.779 242 1HH2 ARG 31 1HH1 ARG 31 0.764 -7.684 13.511 243 2HH2 ARG 31 2HH1 ARG 31 1.755 -9.100 13.394 244 H ALA 32 HN ALA 32 1.257 -4.769 9.572 245 HA ALA 32 HA ALA 32 -0.188 -3.792 11.872 246 1HB ALA 32 1HB ALA 32 2.046 -4.447 12.284 247 2HB ALA 32 2HB ALA 32 2.095 -2.685 12.363 248 3HB ALA 32 3HB ALA 32 2.659 -3.519 10.915 249 H GLN 33 HN GLN 33 1.238 -2.220 9.025 250 HA GLN 33 HA GLN 33 0.726 0.472 9.899 251 1HB GLN 33 2HB GLN 33 1.289 -0.787 7.220 252 2HB GLN 33 1HB GLN 33 0.965 0.940 7.374 253 1HG GLN 33 2HG GLN 33 3.003 -0.350 9.164 254 2HG GLN 33 1HG GLN 33 3.440 0.074 7.509 255 1HE2 GLN 33 1HE2 GLN 33 4.252 2.158 7.303 256 2HE2 GLN 33 2HE2 GLN 33 3.883 3.457 8.331 257 H THR 34 HN THR 34 -1.398 -1.951 8.686 258 HA THR 34 HA THR 34 -3.432 0.179 8.130 259 HB THR 34 HB THR 34 -4.499 -1.468 6.575 260 HG1 THR 34 HG1 THR 34 -2.074 -2.872 7.002 261 1HG2 THR 34 1HG2 THR 34 -1.771 -1.295 5.488 262 2HG2 THR 34 2HG2 THR 34 -2.380 0.228 6.136 263 3HG2 THR 34 3HG2 THR 34 -3.275 -0.612 4.870 264 H VAL 35 HN VAL 35 -2.846 -1.218 10.697 265 HA VAL 35 HA VAL 35 -5.060 -3.089 11.093 266 HB VAL 35 HB VAL 35 -4.401 -3.008 13.478 267 1HG1 VAL 35 1HG1 VAL 35 -1.903 -3.130 11.795 268 2HG1 VAL 35 2HG1 VAL 35 -3.161 -4.358 11.671 269 3HG1 VAL 35 3HG1 VAL 35 -2.321 -4.107 13.202 270 1HG2 VAL 35 1HG2 VAL 35 -3.763 -0.747 13.834 271 2HG2 VAL 35 2HG2 VAL 35 -2.645 -0.760 12.473 272 3HG2 VAL 35 3HG2 VAL 35 -2.254 -1.651 13.943 273 H GLY 36 HN GLY 36 -7.140 -2.402 11.298 274 1HA GLY 36 2HA GLY 36 -8.958 -1.145 12.081 275 2HA GLY 36 1HA GLY 36 -7.836 -0.249 13.102 276 H LYS 37 HN LYS 37 -6.946 -0.316 9.774 277 HA LYS 37 HA LYS 37 -8.100 2.428 9.454 278 1HB LYS 37 2HB LYS 37 -5.397 1.325 8.701 279 2HB LYS 37 1HB LYS 37 -6.048 2.776 7.938 280 1HG LYS 37 2HG LYS 37 -6.337 3.818 10.160 281 2HG LYS 37 1HG LYS 37 -5.671 2.373 10.920 282 1HD LYS 37 2HD LYS 37 -3.520 2.841 10.248 283 2HD LYS 37 1HD LYS 37 -4.046 3.650 8.774 284 1HE LYS 37 2HE LYS 37 -3.317 5.461 10.042 285 2HE LYS 37 1HE LYS 37 -5.034 5.427 10.443 286 1HZ LYS 37 1HE LYS 37 -3.069 3.913 12.040 287 2HZ LYS 37 2HE LYS 37 -4.623 4.439 12.483 288 3HZ LYS 37 3HE LYS 37 -3.352 5.557 12.343 289 H ILE 38 HN ILE 38 -8.334 3.074 7.092 290 HA ILE 38 HA ILE 38 -9.750 0.952 5.661 291 HB ILE 38 HB ILE 38 -9.082 3.789 4.809 292 1HG1 ILE 38 2HG1 ILE 38 -11.605 2.661 6.066 293 2HG1 ILE 38 1HG1 ILE 38 -10.403 3.630 6.919 294 1HG2 ILE 38 1HG2 ILE 38 -11.482 2.361 3.802 295 2HG2 ILE 38 2HG2 ILE 38 -9.931 1.787 3.191 296 3HG2 ILE 38 3HG2 ILE 38 -10.397 3.471 2.965 297 1HD1 ILE 38 1HD1 ILE 38 -12.128 4.494 4.585 298 2HD1 ILE 38 2HD1 ILE 38 -10.773 5.441 5.196 299 3HD1 ILE 38 3HD1 ILE 38 -12.165 5.126 6.232 300 H MET 39 HN MET 39 -8.657 -0.506 4.415 301 HA MET 39 HA MET 39 -6.050 0.320 3.224 302 1HB MET 39 2HB MET 39 -6.256 -1.763 4.694 303 2HB MET 39 1HB MET 39 -7.165 -2.485 3.366 304 1HG MET 39 2HG MET 39 -5.149 -1.747 1.891 305 2HG MET 39 1HG MET 39 -4.282 -1.617 3.422 306 1HE MET 39 1HE MET 39 -6.126 -5.261 1.423 307 2HE MET 39 2HE MET 39 -6.460 -3.549 1.175 308 3HE MET 39 3HE MET 39 -7.173 -4.387 2.549 309 H VAL 40 HN VAL 40 -6.291 1.087 1.179 310 HA VAL 40 HA VAL 40 -8.463 0.053 -0.543 311 HB VAL 40 HB VAL 40 -6.415 2.186 -1.192 312 1HG1 VAL 40 1HG1 VAL 40 -8.288 0.954 -2.779 313 2HG1 VAL 40 2HG1 VAL 40 -7.656 2.577 -3.051 314 3HG1 VAL 40 3HG1 VAL 40 -9.178 2.357 -2.189 315 1HG2 VAL 40 1HG2 VAL 40 -9.137 2.495 0.116 316 2HG2 VAL 40 2HG2 VAL 40 -8.072 3.813 -0.373 317 3HG2 VAL 40 3HG2 VAL 40 -7.587 2.724 0.926 318 H VAL 41 HN VAL 41 -8.039 -1.705 -1.786 319 HA VAL 41 HA VAL 41 -5.339 -1.926 -3.052 320 HB VAL 41 HB VAL 41 -5.669 -4.457 -2.831 321 1HG1 VAL 41 1HG1 VAL 41 -3.986 -3.595 -1.463 322 2HG1 VAL 41 2HG1 VAL 41 -5.079 -4.309 -0.278 323 3HG1 VAL 41 3HG1 VAL 41 -5.104 -2.571 -0.566 324 1HG2 VAL 41 1HG2 VAL 41 -7.124 -5.116 -0.905 325 2HG2 VAL 41 2HG2 VAL 41 -8.038 -4.459 -2.261 326 3HG2 VAL 41 3HG2 VAL 41 -7.730 -3.463 -0.839 327 H GLY 42 HN GLY 42 -5.437 -2.271 -5.245 328 1HA GLY 42 2HA GLY 42 -7.852 -2.082 -6.696 329 2HA GLY 42 1HA GLY 42 -6.337 -2.685 -7.365 330 H ARG 43 HN ARG 43 -9.245 -3.594 -7.577 331 HA ARG 43 HA ARG 43 -9.750 -6.016 -6.280 332 1HB ARG 43 2HB ARG 43 -11.323 -4.811 -7.796 333 2HB ARG 43 1HB ARG 43 -10.378 -5.368 -9.175 334 1HG ARG 43 2HG ARG 43 -11.212 -7.478 -7.270 335 2HG ARG 43 1HG ARG 43 -12.519 -6.716 -8.175 336 1HD ARG 43 2HD ARG 43 -10.016 -7.856 -9.453 337 2HD ARG 43 1HD ARG 43 -11.540 -8.727 -9.323 338 HE ARG 43 HE ARG 43 -11.924 -6.156 -10.589 339 1HH1 ARG 43 1HH2 ARG 43 -10.760 -9.392 -11.058 340 2HH1 ARG 43 2HH2 ARG 43 -11.058 -9.382 -12.762 341 1HH2 ARG 43 1HH1 ARG 43 -12.308 -6.160 -12.824 342 2HH2 ARG 43 2HH1 ARG 43 -11.929 -7.568 -13.754 343 H ARG 44 HN ARG 44 -7.258 -5.418 -8.652 344 HA ARG 44 HA ARG 44 -7.127 -8.270 -9.408 345 1HB ARG 44 2HB ARG 44 -5.650 -5.794 -10.189 346 2HB ARG 44 1HB ARG 44 -4.952 -7.369 -10.562 347 1HG ARG 44 2HG ARG 44 -7.724 -7.450 -11.253 348 2HG ARG 44 1HG ARG 44 -7.047 -5.974 -11.938 349 1HD ARG 44 2HD ARG 44 -5.285 -7.245 -13.046 350 2HD ARG 44 1HD ARG 44 -5.839 -8.734 -12.279 351 HE ARG 44 HE ARG 44 -7.968 -7.484 -13.786 352 1HH1 ARG 44 1HH1 ARG 44 -5.080 -9.393 -14.039 353 2HH1 ARG 44 2HH1 ARG 44 -5.574 -10.155 -15.513 354 1HH2 ARG 44 1HH2 ARG 44 -8.600 -8.481 -15.699 355 2HH2 ARG 44 2HH2 ARG 44 -7.556 -9.643 -16.448 356 H THR 45 HN THR 45 -5.175 -5.951 -7.527 357 HA THR 45 HA THR 45 -3.203 -7.929 -6.742 358 HB THR 45 HB THR 45 -3.965 -5.449 -5.177 359 HG1 THR 45 HG1 THR 45 -2.511 -5.766 -7.565 360 1HG2 THR 45 1HG2 THR 45 -1.890 -5.651 -4.170 361 2HG2 THR 45 2HG2 THR 45 -1.189 -6.501 -5.546 362 3HG2 THR 45 3HG2 THR 45 -2.265 -7.353 -4.440 363 H TYR 46 HN TYR 46 -6.143 -6.601 -5.232 364 HA TYR 46 HA TYR 46 -6.064 -8.088 -2.809 365 1HB TYR 46 2HB TYR 46 -7.689 -6.262 -3.237 366 2HB TYR 46 1HB TYR 46 -8.516 -7.288 -4.408 367 HD1 TYR 46 HD1 TYR 46 -9.856 -9.192 -3.700 368 HD2 TYR 46 HD2 TYR 46 -7.760 -6.786 -0.830 369 HE1 TYR 46 HE1 TYR 46 -11.158 -10.240 -1.867 370 HE2 TYR 46 HE2 TYR 46 -9.060 -7.829 1.002 371 HH TYR 46 HH TYR 46 -11.315 -10.490 0.375 372 H GLU 47 HN GLU 47 -7.383 -8.928 -6.004 373 HA GLU 47 HA GLU 47 -8.376 -11.519 -5.201 374 1HB GLU 47 2HB GLU 47 -7.892 -10.094 -7.778 375 2HB GLU 47 1HB GLU 47 -8.010 -11.853 -7.839 376 1HG GLU 47 HG2 GLU 47 -10.122 -11.348 -6.250 377 2HG GLU 47 HG1 GLU 47 -10.094 -9.838 -7.162 378 H SER 48 HN SER 48 -5.237 -10.298 -5.714 379 HA SER 48 HA SER 48 -4.124 -12.999 -6.288 380 1HB SER 48 2HB SER 48 -2.697 -10.327 -6.163 381 2HB SER 48 1HB SER 48 -2.020 -11.850 -6.733 382 HG SER 48 HG SER 48 -4.024 -10.229 -7.883 383 H PHE 49 HN PHE 49 -4.602 -10.733 -3.727 384 HA PHE 49 HA PHE 49 -2.518 -11.080 -1.949 385 1HB PHE 49 2HB PHE 49 -5.400 -10.587 -1.710 386 2HB PHE 49 1HB PHE 49 -4.716 -11.376 -0.292 387 HD1 PHE 49 HD1 PHE 49 -3.365 -10.185 1.246 388 HD2 PHE 49 HD2 PHE 49 -4.321 -8.443 -2.557 389 HE1 PHE 49 HE1 PHE 49 -2.430 -8.023 2.002 390 HE2 PHE 49 HE2 PHE 49 -3.386 -6.276 -1.800 391 HZ PHE 49 HZ PHE 49 -2.437 -6.067 0.481 392 HA PRO 50 HA PRO 50 -2.468 -15.366 -0.708 393 1HB PRO 50 2HB PRO 50 -1.223 -14.993 1.744 394 2HB PRO 50 1HB PRO 50 -0.394 -15.035 0.180 395 1HG PRO 50 2HG PRO 50 -0.734 -12.801 1.956 396 2HG PRO 50 1HG PRO 50 0.149 -12.867 0.424 397 1HD PRO 50 2HD PRO 50 -2.520 -11.788 0.972 398 2HD PRO 50 1HD PRO 50 -1.471 -11.524 -0.430 399 H LYS 51 HN LYS 51 -3.077 -13.381 2.230 400 HA LYS 51 HA LYS 51 -5.355 -15.227 2.841 401 1HB LYS 51 2HB LYS 51 -3.273 -15.387 4.330 402 2HB LYS 51 1HB LYS 51 -3.703 -13.780 4.916 403 1HG LYS 51 2HG LYS 51 -6.008 -14.707 5.441 404 2HG LYS 51 1HG LYS 51 -5.352 -16.310 5.110 405 1HD LYS 51 2HD LYS 51 -3.513 -15.732 6.807 406 2HD LYS 51 1HD LYS 51 -4.536 -14.376 7.284 407 1HE LYS 51 2HE LYS 51 -6.053 -15.722 8.321 408 2HE LYS 51 1HE LYS 51 -5.934 -16.973 7.083 409 1HZ LYS 51 1HE LYS 51 -5.044 -17.566 9.341 410 2HZ LYS 51 2HE LYS 51 -3.782 -16.465 9.054 411 3HZ LYS 51 3HE LYS 51 -3.979 -17.817 8.044 412 H ARG 52 HN ARG 52 -7.030 -13.909 2.092 413 HA ARG 52 HA ARG 52 -7.316 -11.291 3.510 414 1HB ARG 52 2HB ARG 52 -8.878 -11.233 1.123 415 2HB ARG 52 1HB ARG 52 -7.487 -10.233 1.529 416 1HG ARG 52 2HG ARG 52 -6.847 -11.277 -0.484 417 2HG ARG 52 1HG ARG 52 -6.065 -12.262 0.751 418 1HD ARG 52 2HD ARG 52 -7.073 -13.988 -0.339 419 2HD ARG 52 1HD ARG 52 -8.491 -13.496 0.582 420 HE ARG 52 HE ARG 52 -9.126 -12.105 -1.438 421 1HH1 ARG 52 1HH1 ARG 52 -6.918 -14.782 -1.751 422 2HH1 ARG 52 2HH1 ARG 52 -7.267 -15.012 -3.428 423 1HH2 ARG 52 1HH2 ARG 52 -9.557 -12.428 -3.612 424 2HH2 ARG 52 2HH2 ARG 52 -8.747 -13.693 -4.475 425 HA PRO 53 HA PRO 53 -8.771 -9.792 3.758 426 1HB PRO 53 2HB PRO 53 -10.408 -9.133 5.925 427 2HB PRO 53 1HB PRO 53 -10.759 -8.797 4.224 428 1HG PRO 53 2HG PRO 53 -12.102 -10.617 5.977 429 2HG PRO 53 1HG PRO 53 -12.453 -10.274 4.277 430 1HD PRO 53 2HD PRO 53 -11.054 -12.570 5.446 431 2HD PRO 53 1HD PRO 53 -11.743 -12.382 3.825 432 H LEU 54 HN LEU 54 -7.867 -8.604 5.734 433 HA LEU 54 HA LEU 54 -6.206 -10.449 7.257 434 1HB LEU 54 2HB LEU 54 -6.533 -7.439 7.368 435 2HB LEU 54 1HB LEU 54 -5.354 -8.332 8.329 436 HG LEU 54 HG LEU 54 -5.424 -8.859 5.392 437 1HD1 LEU 54 1HD1 LEU 54 -3.650 -6.639 6.153 438 2HD1 LEU 54 2HD1 LEU 54 -5.364 -6.230 6.239 439 3HD1 LEU 54 3HD1 LEU 54 -4.674 -6.823 4.729 440 1HD2 LEU 54 1HD2 LEU 54 -2.876 -8.772 5.945 441 2HD2 LEU 54 2HD2 LEU 54 -3.820 -10.130 6.558 442 3HD2 LEU 54 3HD2 LEU 54 -3.403 -8.792 7.627 443 HA PRO 55 HA PRO 55 -8.551 -11.009 10.945 444 1HB PRO 55 2HB PRO 55 -6.358 -10.675 12.744 445 2HB PRO 55 1HB PRO 55 -7.046 -12.186 12.140 446 1HG PRO 55 2HG PRO 55 -4.532 -11.019 11.485 447 2HG PRO 55 1HG PRO 55 -5.238 -12.514 10.858 448 1HD PRO 55 2HD PRO 55 -4.921 -9.987 9.512 449 2HD PRO 55 1HD PRO 55 -5.536 -11.513 8.862 450 H GLU 56 HN GLU 56 -9.868 -9.462 11.750 451 HA GLU 56 HA GLU 56 -10.601 -7.415 12.648 452 1HB GLU 56 2HB GLU 56 -7.971 -7.810 14.097 453 2HB GLU 56 1HB GLU 56 -9.154 -6.577 14.534 454 1HG GLU 56 HG2 GLU 56 -10.030 -8.192 15.872 455 2HG GLU 56 HG1 GLU 56 -10.734 -8.813 14.379 456 H ARG 57 HN ARG 57 -9.573 -6.989 10.160 457 HA ARG 57 HA ARG 57 -8.269 -4.332 10.490 458 1HB ARG 57 2HB ARG 57 -7.261 -6.665 8.930 459 2HB ARG 57 1HB ARG 57 -7.093 -5.068 8.201 460 1HG ARG 57 2HG ARG 57 -5.268 -4.747 9.476 461 2HG ARG 57 1HG ARG 57 -6.320 -4.747 10.890 462 1HD ARG 57 2HD ARG 57 -6.062 -7.444 10.310 463 2HD ARG 57 1HD ARG 57 -4.458 -6.806 9.956 464 HE ARG 57 HE ARG 57 -5.291 -5.726 12.448 465 1HH1 ARG 57 1HH2 ARG 57 -4.461 -8.762 10.990 466 2HH1 ARG 57 2HH2 ARG 57 -3.835 -9.428 12.459 467 1HH2 ARG 57 1HH1 ARG 57 -4.482 -6.603 14.351 468 2HH2 ARG 57 2HH1 ARG 57 -3.846 -8.213 14.352 469 H THR 58 HN THR 58 -9.216 -2.784 9.218 470 HA THR 58 HA THR 58 -11.539 -3.551 7.613 471 HB THR 58 HB THR 58 -10.282 -0.804 7.844 472 HG1 THR 58 HG1 THR 58 -10.721 -1.692 9.903 473 1HG2 THR 58 1HG2 THR 58 -13.203 -1.448 7.562 474 2HG2 THR 58 2HG2 THR 58 -12.161 -1.463 6.139 475 3HG2 THR 58 3HG2 THR 58 -12.336 0.013 7.088 476 H ASN 59 HN ASN 59 -11.346 -4.168 5.528 477 HA ASN 59 HA ASN 59 -9.084 -3.038 3.922 478 1HB ASN 59 2HB ASN 59 -10.409 -5.716 3.438 479 2HB ASN 59 1HB ASN 59 -8.890 -5.125 2.770 480 1HD2 ASN 59 1HD2 ASN 59 -7.894 -4.014 5.326 481 2HD2 ASN 59 2HD2 ASN 59 -7.507 -5.342 6.309 482 H VAL 60 HN VAL 60 -9.663 -2.110 1.939 483 HA VAL 60 HA VAL 60 -12.527 -2.402 1.131 484 HB VAL 60 HB VAL 60 -10.787 0.062 0.798 485 1HG1 VAL 60 1HG1 VAL 60 -12.737 1.130 -0.004 486 2HG1 VAL 60 2HG1 VAL 60 -13.791 -0.137 0.623 487 3HG1 VAL 60 3HG1 VAL 60 -12.773 -0.453 -0.780 488 1HG2 VAL 60 1HG2 VAL 60 -11.156 0.300 3.035 489 2HG2 VAL 60 2HG2 VAL 60 -12.444 -0.903 3.048 490 3HG2 VAL 60 3HG2 VAL 60 -12.787 0.751 2.542 491 H VAL 61 HN VAL 61 -12.810 -2.982 -1.012 492 HA VAL 61 HA VAL 61 -10.333 -3.191 -2.667 493 HB VAL 61 HB VAL 61 -12.982 -4.577 -3.143 494 1HG1 VAL 61 1HG1 VAL 61 -11.359 -4.431 -5.030 495 2HG1 VAL 61 2HG1 VAL 61 -11.623 -6.090 -4.493 496 3HG1 VAL 61 3HG1 VAL 61 -10.155 -5.235 -4.022 497 1HG2 VAL 61 1HG2 VAL 61 -12.483 -5.588 -1.138 498 2HG2 VAL 61 2HG2 VAL 61 -10.768 -5.189 -1.245 499 3HG2 VAL 61 3HG2 VAL 61 -11.418 -6.543 -2.170 500 H LEU 62 HN LEU 62 -10.457 -2.566 -4.918 501 HA LEU 62 HA LEU 62 -12.723 -0.694 -5.510 502 1HB LEU 62 2HB LEU 62 -9.813 -0.310 -5.664 503 2HB LEU 62 1HB LEU 62 -10.646 0.112 -7.161 504 HG LEU 62 HG LEU 62 -12.307 1.395 -5.653 505 1HD1 LEU 62 1HD1 LEU 62 -10.079 1.711 -3.727 506 2HD1 LEU 62 2HD1 LEU 62 -10.965 0.193 -3.631 507 3HD1 LEU 62 3HD1 LEU 62 -11.814 1.726 -3.442 508 1HD2 LEU 62 1HD2 LEU 62 -11.089 2.946 -6.807 509 2HD2 LEU 62 2HD2 LEU 62 -9.563 2.114 -6.501 510 3HD2 LEU 62 3HD2 LEU 62 -10.253 3.172 -5.271 511 H THR 63 HN THR 63 -13.910 -1.308 -7.263 512 HA THR 63 HA THR 63 -12.599 -2.817 -9.454 513 HB THR 63 HB THR 63 -13.381 -4.632 -8.091 514 HG1 THR 63 HG1 THR 63 -14.132 -4.430 -10.404 515 1HG2 THR 63 1HG2 THR 63 -15.337 -2.700 -7.276 516 2HG2 THR 63 2HG2 THR 63 -14.978 -4.266 -6.552 517 3HG2 THR 63 3HG2 THR 63 -16.173 -4.145 -7.843 518 H HIS 64 HN HIS 64 -13.910 -2.805 -11.422 519 HA HIS 64 HA HIS 64 -15.723 -0.459 -11.517 520 1HB HIS 64 2HB HIS 64 -13.993 -1.885 -13.443 521 2HB HIS 64 1HB HIS 64 -15.539 -1.351 -14.099 522 HD1 HIS 64 HD1 HIS 64 -16.061 1.245 -13.942 523 HD2 HIS 64 HD2 HIS 64 -12.157 0.181 -12.938 524 HE1 HIS 64 HE1 HIS 64 -14.708 3.385 -13.961 525 H GLN 65 HN GLN 65 -16.218 -3.545 -10.713 526 HA GLN 65 HA GLN 65 -18.466 -4.109 -12.541 527 1HB GLN 65 2HB GLN 65 -17.119 -5.603 -10.296 528 2HB GLN 65 1HB GLN 65 -18.696 -6.119 -10.896 529 1HG GLN 65 2HG GLN 65 -17.125 -7.358 -12.177 530 2HG GLN 65 1HG GLN 65 -17.643 -6.049 -13.240 531 1HE2 GLN 65 1HE2 GLN 65 -15.023 -6.926 -10.939 532 2HE2 GLN 65 2HE2 GLN 65 -13.839 -5.964 -11.685 533 H GLU 66 HN GLU 66 -20.543 -4.907 -11.304 534 HA GLU 66 HA GLU 66 -21.138 -2.911 -9.156 535 1HB GLU 66 2HB GLU 66 -22.262 -2.882 -11.609 536 2HB GLU 66 1HB GLU 66 -23.366 -3.993 -10.798 537 1HG GLU 66 HG2 GLU 66 -24.233 -2.362 -9.472 538 2HG GLU 66 HG1 GLU 66 -22.661 -1.603 -9.217 539 H ASP 67 HN ASP 67 -20.990 -6.229 -9.951 540 HA ASP 67 HA ASP 67 -22.810 -6.890 -7.674 541 1HB ASP 67 2HB ASP 67 -23.120 -7.820 -10.140 542 2HB ASP 67 1HB ASP 67 -21.883 -8.965 -9.622 543 H TYR 68 HN TYR 68 -19.900 -6.106 -7.545 544 HA TYR 68 HA TYR 68 -18.283 -8.413 -7.061 545 1HB TYR 68 2HB TYR 68 -17.658 -5.848 -7.166 546 2HB TYR 68 1HB TYR 68 -17.940 -5.916 -5.426 547 HD1 TYR 68 HD1 TYR 68 -16.164 -7.798 -8.142 548 HD2 TYR 68 HD2 TYR 68 -16.195 -6.587 -4.022 549 HE1 TYR 68 HE1 TYR 68 -13.939 -8.843 -7.819 550 HE2 TYR 68 HE2 TYR 68 -13.969 -7.631 -3.699 551 HH TYR 68 HH TYR 68 -12.700 -9.729 -5.120 552 H GLN 69 HN GLN 69 -18.667 -9.967 -5.551 553 HA GLN 69 HA GLN 69 -20.247 -9.226 -3.137 554 1HB GLN 69 2HB GLN 69 -19.675 -11.863 -4.501 555 2HB GLN 69 1HB GLN 69 -20.384 -11.774 -2.887 556 1HG GLN 69 2HG GLN 69 -21.595 -10.133 -5.084 557 2HG GLN 69 1HG GLN 69 -21.942 -11.862 -5.024 558 1HE2 GLN 69 1HE2 GLN 69 -22.549 -8.783 -3.459 559 2HE2 GLN 69 2HE2 GLN 69 -23.623 -9.373 -2.284 560 H ALA 70 HN ALA 70 -18.809 -8.518 -1.596 561 HA ALA 70 HA ALA 70 -16.689 -10.446 -0.786 562 1HB ALA 70 1HB ALA 70 -16.330 -7.643 -1.697 563 2HB ALA 70 2HB ALA 70 -15.199 -8.995 -1.744 564 3HB ALA 70 3HB ALA 70 -15.440 -8.100 -0.244 565 H GLN 71 HN GLN 71 -18.379 -10.895 0.863 566 HA GLN 71 HA GLN 71 -19.194 -8.838 2.727 567 1HB GLN 71 2HB GLN 71 -19.175 -11.859 3.006 568 2HB GLN 71 1HB GLN 71 -19.984 -10.746 4.110 569 1HG GLN 71 2HG GLN 71 -21.438 -9.954 2.335 570 2HG GLN 71 1HG GLN 71 -20.559 -10.907 1.139 571 1HE2 GLN 71 1HE2 GLN 71 -23.446 -10.993 2.529 572 2HE2 GLN 71 2HE2 GLN 71 -23.647 -12.656 2.799 573 H GLY 72 HN GLY 72 -18.176 -8.162 4.575 574 1HA GLY 72 2HA GLY 72 -16.715 -8.606 6.502 575 2HA GLY 72 1HA GLY 72 -15.771 -9.686 5.472 576 H ALA 73 HN ALA 73 -15.615 -7.995 3.169 577 HA ALA 73 HA ALA 73 -13.847 -5.848 4.252 578 1HB ALA 73 1HB ALA 73 -12.410 -6.165 2.428 579 2HB ALA 73 2HB ALA 73 -13.665 -6.923 1.447 580 3HB ALA 73 3HB ALA 73 -12.932 -7.812 2.782 581 H VAL 74 HN VAL 74 -14.105 -3.795 3.488 582 HA VAL 74 HA VAL 74 -16.650 -2.949 2.508 583 HB VAL 74 HB VAL 74 -14.077 -1.400 2.141 584 1HG1 VAL 74 1HG1 VAL 74 -15.665 -0.025 1.234 585 2HG1 VAL 74 2HG1 VAL 74 -15.985 0.362 2.924 586 3HG1 VAL 74 3HG1 VAL 74 -16.987 -0.823 2.086 587 1HG2 VAL 74 1HG2 VAL 74 -14.650 -0.480 4.449 588 2HG2 VAL 74 2HG2 VAL 74 -14.039 -2.133 4.429 589 3HG2 VAL 74 3HG2 VAL 74 -15.767 -1.834 4.617 590 H VAL 75 HN VAL 75 -17.131 -1.959 0.357 591 HA VAL 75 HA VAL 75 -15.343 -2.830 -1.845 592 HB VAL 75 HB VAL 75 -18.313 -3.463 -1.760 593 1HG1 VAL 75 1HG1 VAL 75 -16.307 -4.526 -3.736 594 2HG1 VAL 75 2HG1 VAL 75 -17.039 -2.941 -3.988 595 3HG1 VAL 75 3HG1 VAL 75 -18.057 -4.379 -3.903 596 1HG2 VAL 75 1HG2 VAL 75 -15.889 -4.999 -0.998 597 2HG2 VAL 75 2HG2 VAL 75 -17.062 -5.859 -1.994 598 3HG2 VAL 75 3HG2 VAL 75 -17.553 -5.178 -0.443 599 H VAL 76 HN VAL 76 -15.191 -1.183 -3.323 600 HA VAL 76 HA VAL 76 -17.482 0.678 -3.651 601 HB VAL 76 HB VAL 76 -15.884 2.624 -3.553 602 1HG1 VAL 76 1HG1 VAL 76 -17.159 2.493 -1.613 603 2HG1 VAL 76 2HG1 VAL 76 -15.532 2.338 -0.951 604 3HG1 VAL 76 3HG1 VAL 76 -16.530 0.905 -1.181 605 1HG2 VAL 76 1HG2 VAL 76 -13.880 1.493 -1.896 606 2HG2 VAL 76 2HG2 VAL 76 -13.682 2.171 -3.511 607 3HG2 VAL 76 3HG2 VAL 76 -14.003 0.449 -3.312 608 H HIS 77 HN HIS 77 -17.164 2.049 -5.645 609 HA HIS 77 HA HIS 77 -15.196 0.879 -7.557 610 1HB HIS 77 2HB HIS 77 -18.013 1.512 -8.426 611 2HB HIS 77 1HB HIS 77 -16.815 0.497 -9.226 612 HD1 HIS 77 HD1 HIS 77 -16.666 -1.952 -8.512 613 HD2 HIS 77 HD2 HIS 77 -19.281 0.265 -6.140 614 HE1 HIS 77 HE1 HIS 77 -17.909 -3.618 -7.064 615 H ASP 78 HN ASP 78 -15.307 3.443 -6.067 616 HA ASP 78 HA ASP 78 -14.715 5.202 -8.288 617 1HB ASP 78 2HB ASP 78 -17.414 5.224 -7.146 618 2HB ASP 78 1HB ASP 78 -16.631 6.803 -7.072 619 H VAL 79 HN VAL 79 -12.911 6.110 -7.431 620 HA VAL 79 HA VAL 79 -12.019 6.262 -4.848 621 HB VAL 79 HB VAL 79 -11.773 8.456 -6.928 622 1HG1 VAL 79 1HG1 VAL 79 -10.508 9.600 -5.461 623 2HG1 VAL 79 2HG1 VAL 79 -9.506 8.180 -5.171 624 3HG1 VAL 79 3HG1 VAL 79 -10.961 8.443 -4.211 625 1HG2 VAL 79 1HG2 VAL 79 -10.522 6.933 -8.024 626 2HG2 VAL 79 2HG2 VAL 79 -10.695 5.772 -6.708 627 3HG2 VAL 79 3HG2 VAL 79 -9.393 6.962 -6.670 628 H ALA 80 HN ALA 80 -14.478 8.368 -6.266 629 HA ALA 80 HA ALA 80 -14.595 10.362 -4.256 630 1HB ALA 80 1HB ALA 80 -17.234 9.552 -5.228 631 2HB ALA 80 2HB ALA 80 -16.061 9.735 -6.532 632 3HB ALA 80 3HB ALA 80 -16.382 11.081 -5.440 633 H ALA 81 HN ALA 81 -16.172 7.173 -4.403 634 HA ALA 81 HA ALA 81 -17.634 7.468 -1.942 635 1HB ALA 81 1HB ALA 81 -17.143 5.383 -3.909 636 2HB ALA 81 2HB ALA 81 -18.524 5.595 -2.833 637 3HB ALA 81 3HB ALA 81 -17.091 4.733 -2.271 638 H VAL 82 HN VAL 82 -14.499 5.926 -2.710 639 HA VAL 82 HA VAL 82 -13.853 4.966 -0.143 640 HB VAL 82 HB VAL 82 -11.812 6.263 -1.961 641 1HG1 VAL 82 1HG1 VAL 82 -10.337 4.587 -1.078 642 2HG1 VAL 82 2HG1 VAL 82 -11.675 3.717 -0.328 643 3HG1 VAL 82 3HG1 VAL 82 -11.185 5.289 0.295 644 1HG2 VAL 82 1HG2 VAL 82 -13.001 4.968 -3.522 645 2HG2 VAL 82 2HG2 VAL 82 -13.393 3.725 -2.334 646 3HG2 VAL 82 3HG2 VAL 82 -11.751 3.856 -2.965 647 H PHE 83 HN PHE 83 -13.264 8.205 -1.518 648 HA PHE 83 HA PHE 83 -11.915 9.322 0.717 649 1HB PHE 83 2HB PHE 83 -13.483 10.403 -1.583 650 2HB PHE 83 1HB PHE 83 -13.168 11.490 -0.232 651 HD1 PHE 83 HD1 PHE 83 -11.890 10.301 -3.282 652 HD2 PHE 83 HD2 PHE 83 -10.654 11.372 0.688 653 HE1 PHE 83 HE1 PHE 83 -9.577 10.666 -4.099 654 HE2 PHE 83 HE2 PHE 83 -8.343 11.735 -0.129 655 HZ PHE 83 HZ PHE 83 -7.804 11.382 -2.522 656 H ALA 84 HN ALA 84 -15.386 9.018 0.019 657 HA ALA 84 HA ALA 84 -16.383 10.620 2.133 658 1HB ALA 84 1HB ALA 84 -18.280 8.712 2.015 659 2HB ALA 84 2HB ALA 84 -17.434 8.356 0.509 660 3HB ALA 84 3HB ALA 84 -18.116 9.960 0.779 661 H TYR 85 HN TYR 85 -16.012 7.049 2.154 662 HA TYR 85 HA TYR 85 -16.640 6.471 4.765 663 1HB TYR 85 2HB TYR 85 -15.596 5.013 2.795 664 2HB TYR 85 1HB TYR 85 -14.122 5.242 3.735 665 HD1 TYR 85 HD1 TYR 85 -17.734 4.330 4.214 666 HD2 TYR 85 HD2 TYR 85 -13.676 3.776 5.489 667 HE1 TYR 85 HE1 TYR 85 -18.471 2.577 5.808 668 HE2 TYR 85 HE2 TYR 85 -14.404 2.030 7.080 669 HH TYR 85 HH TYR 85 -17.669 1.540 7.897 670 H ALA 86 HN ALA 86 -13.286 7.336 3.759 671 HA ALA 86 HA ALA 86 -12.183 7.433 6.362 672 1HB ALA 86 1HB ALA 86 -10.589 7.626 4.672 673 2HB ALA 86 2HB ALA 86 -10.674 9.282 5.266 674 3HB ALA 86 3HB ALA 86 -11.524 8.831 3.789 675 H LYS 87 HN LYS 87 -13.766 10.031 4.507 676 HA LYS 87 HA LYS 87 -13.443 12.066 6.497 677 1HB LYS 87 2HB LYS 87 -14.395 12.037 3.950 678 2HB LYS 87 1HB LYS 87 -15.909 12.125 4.848 679 1HG LYS 87 2HG LYS 87 -15.559 14.332 5.113 680 2HG LYS 87 1HG LYS 87 -14.165 13.942 6.121 681 1HD LYS 87 2HD LYS 87 -13.037 15.125 4.519 682 2HD LYS 87 1HD LYS 87 -13.072 13.579 3.670 683 1HE LYS 87 2HE LYS 87 -15.479 15.278 3.334 684 2HE LYS 87 1HE LYS 87 -14.002 15.891 2.591 685 1HZ LYS 87 1HE LYS 87 -14.968 14.528 0.982 686 2HZ LYS 87 2HE LYS 87 -15.370 13.316 2.103 687 3HZ LYS 87 3HE LYS 87 -13.749 13.563 1.659 688 H GLN 88 HN GLN 88 -15.676 9.408 6.157 689 HA GLN 88 HA GLN 88 -17.422 10.484 8.290 690 1HB GLN 88 2HB GLN 88 -17.835 8.820 6.042 691 2HB GLN 88 1HB GLN 88 -18.112 7.807 7.459 692 1HG GLN 88 2HG GLN 88 -20.195 8.736 7.402 693 2HG GLN 88 1HG GLN 88 -19.401 10.083 8.218 694 1HE2 GLN 88 1HE2 GLN 88 -20.090 8.897 4.880 695 2HE2 GLN 88 2HE2 GLN 88 -20.266 10.447 4.210 696 H HIS 89 HN HIS 89 -14.535 8.812 8.310 697 HA HIS 89 HA HIS 89 -15.374 7.250 10.716 698 1HB HIS 89 2HB HIS 89 -13.569 6.635 8.447 699 2HB HIS 89 1HB HIS 89 -12.982 6.156 10.041 700 HD1 HIS 89 HD1 HIS 89 -14.340 4.361 11.334 701 HD2 HIS 89 HD2 HIS 89 -15.887 5.233 7.562 702 HE1 HIS 89 HE1 HIS 89 -16.050 2.563 10.829 703 HA PRO 90 HA PRO 90 -12.617 10.284 12.669 704 1HB PRO 90 2HB PRO 90 -13.660 9.743 15.202 705 2HB PRO 90 1HB PRO 90 -14.227 11.004 14.099 706 1HG PRO 90 2HG PRO 90 -15.587 8.614 14.913 707 2HG PRO 90 1HG PRO 90 -16.169 9.903 13.851 708 1HD PRO 90 2HD PRO 90 -15.165 7.254 13.141 709 2HD PRO 90 1HD PRO 90 -16.033 8.428 12.138 710 H ASP 91 HN ASP 91 -12.615 6.979 12.688 711 HA ASP 91 HA ASP 91 -10.155 6.904 14.350 712 1HB ASP 91 2HB ASP 91 -12.479 6.000 15.430 713 2HB ASP 91 1HB ASP 91 -11.927 4.539 14.610 714 H GLN 92 HN GLN 92 -11.340 6.560 11.428 715 HA GLN 92 HA GLN 92 -9.423 4.435 10.672 716 1HB GLN 92 2HB GLN 92 -12.054 3.761 10.916 717 2HB GLN 92 1HB GLN 92 -12.040 4.362 9.258 718 1HG GLN 92 2HG GLN 92 -10.741 2.640 8.503 719 2HG GLN 92 1HG GLN 92 -9.810 2.559 9.994 720 1HE2 GLN 92 1HE2 GLN 92 -12.914 1.586 8.526 721 2HE2 GLN 92 2HE2 GLN 92 -13.238 0.346 9.639 722 H GLU 93 HN GLU 93 -8.115 5.958 9.527 723 HA GLU 93 HA GLU 93 -9.417 7.949 7.829 724 1HB GLU 93 2HB GLU 93 -6.611 7.297 8.655 725 2HB GLU 93 1HB GLU 93 -6.858 8.273 7.208 726 1HG GLU 93 HG2 GLU 93 -8.093 9.931 8.436 727 2HG GLU 93 HG1 GLU 93 -8.155 8.903 9.868 728 H LEU 94 HN LEU 94 -7.671 8.006 5.666 729 HA LEU 94 HA LEU 94 -8.561 5.586 4.179 730 1HB LEU 94 2HB LEU 94 -8.816 8.230 3.539 731 2HB LEU 94 1HB LEU 94 -7.323 7.826 2.700 732 HG LEU 94 HG LEU 94 -8.611 5.755 1.828 733 1HD1 LEU 94 1HD1 LEU 94 -10.956 7.556 2.480 734 2HD1 LEU 94 2HD1 LEU 94 -10.516 6.156 3.454 735 3HD1 LEU 94 3HD1 LEU 94 -11.010 5.942 1.782 736 1HD2 LEU 94 1HD2 LEU 94 -7.942 7.684 0.436 737 2HD2 LEU 94 2HD2 LEU 94 -9.388 8.554 0.949 738 3HD2 LEU 94 3HD2 LEU 94 -9.538 7.096 -0.033 739 H VAL 95 HN VAL 95 -7.003 4.025 4.099 740 HA VAL 95 HA VAL 95 -4.163 4.927 3.803 741 HB VAL 95 HB VAL 95 -5.161 2.282 4.909 742 1HG1 VAL 95 1HG1 VAL 95 -2.600 3.185 3.921 743 2HG1 VAL 95 2HG1 VAL 95 -3.055 1.591 4.522 744 3HG1 VAL 95 3HG1 VAL 95 -2.489 2.828 5.644 745 1HG2 VAL 95 1HG2 VAL 95 -4.049 4.756 6.259 746 2HG2 VAL 95 2HG2 VAL 95 -4.228 3.193 7.055 747 3HG2 VAL 95 3HG2 VAL 95 -5.653 4.057 6.483 748 H ILE 96 HN ILE 96 -3.308 4.511 1.849 749 HA ILE 96 HA ILE 96 -4.801 2.798 -0.022 750 HB ILE 96 HB ILE 96 -2.236 4.324 -0.526 751 1HG1 ILE 96 2HG1 ILE 96 -4.005 5.823 0.370 752 2HG1 ILE 96 1HG1 ILE 96 -3.667 6.155 -1.325 753 1HG2 ILE 96 1HG2 ILE 96 -2.484 3.086 -2.433 754 2HG2 ILE 96 2HG2 ILE 96 -3.653 4.341 -2.838 755 3HG2 ILE 96 3HG2 ILE 96 -4.202 2.810 -2.154 756 1HD1 ILE 96 1HD1 ILE 96 -5.619 4.903 -2.023 757 2HD1 ILE 96 2HD1 ILE 96 -6.116 6.068 -0.794 758 3HD1 ILE 96 3HD1 ILE 96 -5.916 4.368 -0.369 759 H ALA 97 HN ALA 97 -3.900 0.981 -1.054 760 HA ALA 97 HA ALA 97 -1.377 -0.075 0.130 761 1HB ALA 97 1HB ALA 97 -2.866 -2.337 -0.426 762 2HB ALA 97 2HB ALA 97 -4.075 -1.224 0.216 763 3HB ALA 97 3HB ALA 97 -2.652 -1.627 1.174 764 H GLY 98 HN GLY 98 -2.880 0.981 -2.579 765 1HA GLY 98 2HA GLY 98 -1.873 0.938 -4.739 766 2HA GLY 98 1HA GLY 98 -1.033 -0.545 -4.300 767 H GLY 99 HN GLY 99 -3.392 -2.038 -6.536 768 1HA GLY 99 2HA GLY 99 -0.635 -1.662 -5.769 769 2HA GLY 99 1HA GLY 99 -1.194 -2.168 -7.352 770 H ALA 100 HN ALA 100 0.086 -0.847 -8.606 771 HA ALA 100 HA ALA 100 0.715 1.885 -8.059 772 1HB ALA 100 1HB ALA 100 0.914 0.067 -10.401 773 2HB ALA 100 2HB ALA 100 2.142 1.098 -9.668 774 3HB ALA 100 3HB ALA 100 0.935 1.796 -10.749 775 H GLN 101 HN GLN 101 -1.952 0.402 -9.860 776 HA GLN 101 HA GLN 101 -2.970 2.753 -11.065 777 1HB GLN 101 2HB GLN 101 -3.811 0.069 -10.774 778 2HB GLN 101 1HB GLN 101 -5.139 1.064 -10.177 779 1HG GLN 101 2HG GLN 101 -5.404 2.173 -12.224 780 2HG GLN 101 1HG GLN 101 -3.769 1.780 -12.757 781 1HE2 GLN 101 1HE2 GLN 101 -6.883 1.019 -13.467 782 2HE2 GLN 101 2HE2 GLN 101 -6.693 -0.592 -13.967 783 H ILE 102 HN ILE 102 -3.571 1.433 -7.771 784 HA ILE 102 HA ILE 102 -5.482 3.509 -7.141 785 HB ILE 102 HB ILE 102 -3.882 1.786 -5.230 786 1HG1 ILE 102 2HG1 ILE 102 -4.972 0.336 -6.863 787 2HG1 ILE 102 1HG1 ILE 102 -5.858 0.251 -5.342 788 1HG2 ILE 102 1HG2 ILE 102 -5.057 3.587 -4.117 789 2HG2 ILE 102 2HG2 ILE 102 -5.940 2.089 -3.824 790 3HG2 ILE 102 3HG2 ILE 102 -6.531 3.241 -5.021 791 1HD1 ILE 102 1HD1 ILE 102 -6.610 1.870 -7.789 792 2HD1 ILE 102 2HD1 ILE 102 -7.439 1.985 -6.237 793 3HD1 ILE 102 3HD1 ILE 102 -7.467 0.471 -7.142 794 H PHE 103 HN PHE 103 -1.966 3.271 -6.948 795 HA PHE 103 HA PHE 103 -1.683 5.445 -5.050 796 1HB PHE 103 2HB PHE 103 0.235 4.164 -7.015 797 2HB PHE 103 1HB PHE 103 0.705 5.464 -5.922 798 HD1 PHE 103 HD1 PHE 103 1.322 2.246 -6.204 799 HD2 PHE 103 HD2 PHE 103 -0.798 4.790 -3.466 800 HE1 PHE 103 HE1 PHE 103 1.671 0.589 -4.392 801 HE2 PHE 103 HE2 PHE 103 -0.450 3.131 -1.657 802 HZ PHE 103 HZ PHE 103 0.784 1.032 -2.119 803 H THR 104 HN THR 104 -2.240 5.230 -8.469 804 HA THR 104 HA THR 104 -1.227 7.906 -9.063 805 HB THR 104 HB THR 104 -3.154 6.427 -10.830 806 HG1 THR 104 HG1 THR 104 -0.427 5.834 -10.353 807 1HG2 THR 104 1HG2 THR 104 -1.006 8.472 -11.071 808 2HG2 THR 104 2HG2 THR 104 -2.539 8.344 -11.933 809 3HG2 THR 104 3HG2 THR 104 -1.175 7.331 -12.406 810 H ALA 105 HN ALA 105 -4.516 6.462 -8.886 811 HA ALA 105 HA ALA 105 -5.890 8.927 -9.329 812 1HB ALA 105 1HB ALA 105 -6.583 6.229 -8.721 813 2HB ALA 105 2HB ALA 105 -7.638 7.517 -9.304 814 3HB ALA 105 3HB ALA 105 -7.426 7.267 -7.571 815 H PHE 106 HN PHE 106 -4.458 7.558 -6.429 816 HA PHE 106 HA PHE 106 -5.697 9.698 -4.777 817 1HB PHE 106 2HB PHE 106 -4.189 7.168 -4.120 818 2HB PHE 106 1HB PHE 106 -4.533 8.391 -2.899 819 HD1 PHE 106 HD1 PHE 106 -6.859 8.917 -2.261 820 HD2 PHE 106 HD2 PHE 106 -5.953 5.791 -5.057 821 HE1 PHE 106 HE1 PHE 106 -9.140 7.994 -1.971 822 HE2 PHE 106 HE2 PHE 106 -8.235 4.869 -4.771 823 HZ PHE 106 HZ PHE 106 -9.828 5.970 -3.226 824 H LYS 107 HN LYS 107 -2.887 9.284 -6.563 825 HA LYS 107 HA LYS 107 -0.893 10.252 -4.780 826 1HB LYS 107 2HB LYS 107 0.443 10.823 -6.706 827 2HB LYS 107 1HB LYS 107 -0.393 9.316 -7.042 828 1HG LYS 107 2HG LYS 107 -1.389 10.212 -8.844 829 2HG LYS 107 1HG LYS 107 -2.024 11.546 -7.886 830 1HD LYS 107 2HD LYS 107 -0.047 12.845 -8.204 831 2HD LYS 107 1HD LYS 107 0.844 11.459 -8.830 832 1HE LYS 107 2HE LYS 107 0.248 12.123 -10.899 833 2HE LYS 107 1HE LYS 107 -1.403 11.659 -10.493 834 1HZ LYS 107 1HE LYS 107 -2.006 13.776 -10.475 835 2HZ LYS 107 2HE LYS 107 -0.460 14.199 -11.038 836 3HZ LYS 107 3HE LYS 107 -0.786 14.186 -9.371 837 H ASP 108 HN ASP 108 -3.319 12.068 -6.668 838 HA ASP 108 HA ASP 108 -2.188 14.656 -6.182 839 1HB ASP 108 2HB ASP 108 -4.200 13.778 -7.728 840 2HB ASP 108 1HB ASP 108 -5.147 14.347 -6.353 841 H ASP 109 HN ASP 109 -4.471 12.657 -4.336 842 HA ASP 109 HA ASP 109 -4.468 14.742 -2.194 843 1HB ASP 109 2HB ASP 109 -6.452 12.718 -3.119 844 2HB ASP 109 1HB ASP 109 -6.400 13.056 -1.388 845 H VAL 110 HN VAL 110 -2.372 14.031 -1.329 846 HA VAL 110 HA VAL 110 -2.522 11.360 0.013 847 HB VAL 110 HB VAL 110 0.028 12.861 -0.599 848 1HG1 VAL 110 1HG1 VAL 110 1.004 11.109 0.418 849 2HG1 VAL 110 2HG1 VAL 110 0.127 9.967 -0.597 850 3HG1 VAL 110 3HG1 VAL 110 -0.600 10.557 0.895 851 1HG2 VAL 110 1HG2 VAL 110 -0.021 10.833 -2.426 852 2HG2 VAL 110 2HG2 VAL 110 -0.477 12.495 -2.789 853 3HG2 VAL 110 3HG2 VAL 110 -1.722 11.302 -2.411 854 H ASP 111 HN ASP 111 -1.819 11.273 2.198 855 HA ASP 111 HA ASP 111 -1.391 13.923 3.513 856 1HB ASP 111 2HB ASP 111 -3.331 11.748 4.123 857 2HB ASP 111 1HB ASP 111 -2.542 12.511 5.503 858 H THR 112 HN THR 112 -0.754 10.441 3.498 859 HA THR 112 HA THR 112 1.781 10.970 4.949 860 HB THR 112 HB THR 112 -0.047 8.723 5.819 861 HG1 THR 112 HG1 THR 112 -1.047 10.077 7.056 862 1HG2 THR 112 1HG2 THR 112 1.938 9.930 7.638 863 2HG2 THR 112 2HG2 THR 112 2.626 9.118 6.231 864 3HG2 THR 112 3HG2 THR 112 1.574 8.231 7.335 865 H LEU 113 HN LEU 113 3.407 9.868 3.957 866 HA LEU 113 HA LEU 113 2.641 7.625 2.133 867 1HB LEU 113 2HB LEU 113 5.120 9.372 2.085 868 2HB LEU 113 1HB LEU 113 4.711 8.124 0.908 869 HG LEU 113 HG LEU 113 2.730 10.306 1.466 870 1HD1 LEU 113 1HD1 LEU 113 3.787 11.857 0.071 871 2HD1 LEU 113 2HD1 LEU 113 4.816 10.633 -0.674 872 3HD1 LEU 113 3HD1 LEU 113 5.152 11.188 0.966 873 1HD2 LEU 113 1HD2 LEU 113 2.732 9.804 -1.209 874 2HD2 LEU 113 2HD2 LEU 113 1.755 8.900 -0.052 875 3HD2 LEU 113 3HD2 LEU 113 3.302 8.251 -0.596 876 H LEU 114 HN LEU 114 3.460 5.607 2.532 877 HA LEU 114 HA LEU 114 5.660 5.371 4.546 878 1HB LEU 114 2HB LEU 114 3.397 3.385 4.261 879 2HB LEU 114 1HB LEU 114 4.564 3.518 5.576 880 HG LEU 114 HG LEU 114 2.709 5.808 4.946 881 1HD1 LEU 114 1HD1 LEU 114 1.355 4.744 6.926 882 2HD1 LEU 114 2HD1 LEU 114 2.103 3.242 6.385 883 3HD1 LEU 114 3HD1 LEU 114 1.084 4.166 5.282 884 1HD2 LEU 114 1HD2 LEU 114 4.796 5.348 6.785 885 2HD2 LEU 114 2HD2 LEU 114 3.309 5.245 7.728 886 3HD2 LEU 114 3HD2 LEU 114 3.660 6.696 6.789 887 H VAL 115 HN VAL 115 7.283 4.918 3.092 888 HA VAL 115 HA VAL 115 6.817 2.622 1.224 889 HB VAL 115 HB VAL 115 7.369 4.826 0.178 890 1HG1 VAL 115 1HG1 VAL 115 9.581 5.753 0.405 891 2HG1 VAL 115 2HG1 VAL 115 10.114 4.382 1.378 892 3HG1 VAL 115 3HG1 VAL 115 8.941 5.525 2.032 893 1HG2 VAL 115 1HG2 VAL 115 7.872 2.643 -0.910 894 2HG2 VAL 115 2HG2 VAL 115 9.474 2.669 -0.170 895 3HG2 VAL 115 3HG2 VAL 115 9.032 3.894 -1.360 896 H THR 116 HN THR 116 8.209 0.896 1.198 897 HA THR 116 HA THR 116 10.300 0.834 3.336 898 HB THR 116 HB THR 116 9.325 -1.656 1.981 899 HG1 THR 116 HG1 THR 116 7.582 -1.745 3.406 900 1HG2 THR 116 1HG2 THR 116 10.468 -0.834 4.626 901 2HG2 THR 116 2HG2 THR 116 10.980 -2.127 3.542 902 3HG2 THR 116 3HG2 THR 116 9.525 -2.320 4.519 903 H ARG 117 HN ARG 117 12.372 0.913 2.565 904 HA ARG 117 HA ARG 117 12.806 0.216 -0.304 905 1HB ARG 117 2HB ARG 117 14.488 1.858 1.612 906 2HB ARG 117 1HB ARG 117 14.911 1.524 -0.068 907 1HG ARG 117 2HG ARG 117 12.193 2.525 0.120 908 2HG ARG 117 1HG ARG 117 13.323 3.646 0.878 909 1HD ARG 117 2HD ARG 117 14.252 2.528 -1.689 910 2HD ARG 117 1HD ARG 117 12.821 3.551 -1.812 911 HE ARG 117 HE ARG 117 14.448 5.089 -0.262 912 1HH1 ARG 117 1HH2 ARG 117 14.988 3.317 -3.204 913 2HH1 ARG 117 2HH2 ARG 117 16.220 4.396 -3.760 914 1HH2 ARG 117 1HH1 ARG 117 16.039 6.484 -1.006 915 2HH2 ARG 117 2HH1 ARG 117 16.811 6.180 -2.526 916 H LEU 118 HN LEU 118 13.601 -1.793 -0.613 917 HA LEU 118 HA LEU 118 15.016 -3.210 1.540 918 1HB LEU 118 2HB LEU 118 14.089 -3.930 -1.236 919 2HB LEU 118 1HB LEU 118 15.226 -4.970 -0.381 920 HG LEU 118 HG LEU 118 13.582 -4.926 1.573 921 1HD1 LEU 118 1HD1 LEU 118 12.221 -3.038 0.995 922 2HD1 LEU 118 2HD1 LEU 118 11.198 -4.462 0.808 923 3HD1 LEU 118 3HD1 LEU 118 11.897 -3.686 -0.613 924 1HD2 LEU 118 1HD2 LEU 118 13.550 -6.971 0.505 925 2HD2 LEU 118 2HD2 LEU 118 13.199 -6.261 -1.070 926 3HD2 LEU 118 3HD2 LEU 118 11.914 -6.433 0.126 927 H ALA 119 HN ALA 119 17.197 -4.094 1.224 928 HA ALA 119 HA ALA 119 18.955 -2.151 -0.096 929 1HB ALA 119 1HB ALA 119 19.824 -2.884 1.963 930 2HB ALA 119 2HB ALA 119 20.740 -3.828 0.788 931 3HB ALA 119 3HB ALA 119 19.391 -4.565 1.651 932 H GLY 120 HN GLY 120 17.728 -5.384 -0.713 933 1HA GLY 120 2HA GLY 120 19.696 -6.015 -2.762 934 2HA GLY 120 1HA GLY 120 18.195 -6.892 -2.464 935 H SER 121 HN SER 121 18.872 -6.466 -5.077 936 HA SER 121 HA SER 121 16.995 -4.286 -5.905 937 1HB SER 121 2HB SER 121 18.363 -3.925 -7.876 938 2HB SER 121 1HB SER 121 19.405 -3.836 -6.458 939 HG SER 121 HG SER 121 20.476 -5.225 -7.699 940 H PHE 122 HN PHE 122 15.171 -5.199 -6.740 941 HA PHE 122 HA PHE 122 15.430 -7.829 -8.127 942 1HB PHE 122 2HB PHE 122 12.966 -6.542 -6.910 943 2HB PHE 122 1HB PHE 122 13.066 -8.165 -7.594 944 HD1 PHE 122 HD1 PHE 122 14.054 -9.985 -6.373 945 HD2 PHE 122 HD2 PHE 122 14.230 -5.979 -4.832 946 HE1 PHE 122 HE1 PHE 122 14.849 -10.859 -4.192 947 HE2 PHE 122 HE2 PHE 122 15.023 -6.853 -2.651 948 HZ PHE 122 HZ PHE 122 15.333 -9.293 -2.331 949 H GLU 123 HN GLU 123 13.953 -8.109 -10.024 950 HA GLU 123 HA GLU 123 13.559 -5.507 -11.453 951 1HB GLU 123 2HB GLU 123 13.909 -6.836 -13.560 952 2HB GLU 123 1HB GLU 123 15.336 -6.749 -12.526 953 1HG GLU 123 HG2 GLU 123 13.573 -9.013 -11.888 954 2HG GLU 123 HG1 GLU 123 14.239 -9.081 -13.520 955 H GLY 124 HN GLY 124 11.816 -5.604 -13.138 956 1HA GLY 124 2HA GLY 124 9.843 -7.636 -13.276 957 2HA GLY 124 1HA GLY 124 9.335 -6.486 -12.036 958 H ASP 125 HN ASP 125 7.549 -5.672 -13.335 959 HA ASP 125 HA ASP 125 8.461 -3.857 -15.504 960 1HB ASP 125 2HB ASP 125 6.988 -6.228 -15.927 961 2HB ASP 125 1HB ASP 125 5.822 -4.912 -16.064 962 H THR 126 HN THR 126 6.697 -4.364 -12.662 963 HA THR 126 HA THR 126 4.992 -1.959 -13.135 964 HB THR 126 HB THR 126 4.745 -3.907 -10.834 965 HG1 THR 126 HG1 THR 126 4.051 -5.290 -12.225 966 1HG2 THR 126 1HG2 THR 126 3.571 -1.482 -11.256 967 2HG2 THR 126 2HG2 THR 126 2.831 -2.787 -10.330 968 3HG2 THR 126 3HG2 THR 126 2.403 -2.557 -12.025 969 H LYS 127 HN LYS 127 5.867 -0.119 -12.296 970 HA LYS 127 HA LYS 127 7.495 -0.384 -9.799 971 1HB LYS 127 2HB LYS 127 7.841 1.453 -12.179 972 2HB LYS 127 1HB LYS 127 8.650 1.730 -10.635 973 1HG LYS 127 2HG LYS 127 9.835 -0.343 -10.774 974 2HG LYS 127 1HG LYS 127 8.838 -0.899 -12.119 975 1HD LYS 127 2HD LYS 127 10.710 -0.177 -13.276 976 2HD LYS 127 1HD LYS 127 9.757 1.308 -13.273 977 1HE LYS 127 2HE LYS 127 11.323 2.376 -12.058 978 2HE LYS 127 1HE LYS 127 11.299 1.109 -10.832 979 1HZ LYS 127 1HE LYS 127 12.945 -0.080 -11.904 980 2HZ LYS 127 2HE LYS 127 13.453 1.525 -12.135 981 3HZ LYS 127 3HE LYS 127 12.687 0.683 -13.397 982 H MET 128 HN MET 128 7.343 1.450 -8.319 983 HA MET 128 HA MET 128 4.655 2.344 -7.924 984 1HB MET 128 2HB MET 128 6.805 2.212 -6.315 985 2HB MET 128 1HB MET 128 6.872 3.927 -6.725 986 1HG MET 128 2HG MET 128 4.184 2.876 -6.043 987 2HG MET 128 1HG MET 128 5.339 2.937 -4.716 988 1HE MET 128 1HE MET 128 3.613 4.850 -3.496 989 2HE MET 128 2HE MET 128 2.693 4.270 -4.883 990 3HE MET 128 3HE MET 128 2.819 6.001 -4.580 991 H ILE 129 HN ILE 129 3.848 4.546 -8.015 992 HA ILE 129 HA ILE 129 4.591 5.910 -10.464 993 HB ILE 129 HB ILE 129 2.829 7.534 -9.735 994 1HG1 ILE 129 2HG1 ILE 129 2.044 5.820 -7.455 995 2HG1 ILE 129 1HG1 ILE 129 3.516 6.757 -7.199 996 1HG2 ILE 129 1HG2 ILE 129 1.522 6.030 -10.784 997 2HG2 ILE 129 2HG2 ILE 129 1.218 5.279 -9.218 998 3HG2 ILE 129 3HG2 ILE 129 2.535 4.696 -10.234 999 1HD1 ILE 129 1HD1 ILE 129 1.266 8.229 -8.447 1000 2HD1 ILE 129 2HD1 ILE 129 2.405 8.753 -7.208 1001 3HD1 ILE 129 3HD1 ILE 129 1.025 7.749 -6.768 1002 HA PRO 130 HA PRO 130 7.320 9.037 -8.893 1003 1HB PRO 130 2HB PRO 130 6.310 11.250 -10.309 1004 2HB PRO 130 1HB PRO 130 7.530 10.104 -10.881 1005 1HG PRO 130 2HG PRO 130 4.870 10.451 -11.842 1006 2HG PRO 130 1HG PRO 130 6.076 9.273 -12.378 1007 1HD PRO 130 2HD PRO 130 3.748 8.875 -10.652 1008 2HD PRO 130 1HD PRO 130 4.741 7.671 -11.489 1009 H LEU 131 HN LEU 131 6.841 9.439 -6.719 1010 HA LEU 131 HA LEU 131 4.516 11.132 -6.038 1011 1HB LEU 131 2HB LEU 131 6.523 9.535 -4.460 1012 2HB LEU 131 1HB LEU 131 5.539 10.761 -3.660 1013 HG LEU 131 HG LEU 131 4.293 8.655 -5.426 1014 1HD1 LEU 131 1HD1 LEU 131 3.961 7.242 -3.509 1015 2HD1 LEU 131 2HD1 LEU 131 4.630 8.459 -2.423 1016 3HD1 LEU 131 3HD1 LEU 131 5.681 7.625 -3.567 1017 1HD2 LEU 131 1HD2 LEU 131 3.390 10.883 -3.790 1018 2HD2 LEU 131 2HD2 LEU 131 2.649 9.373 -3.260 1019 3HD2 LEU 131 3HD2 LEU 131 2.475 9.901 -4.933 1020 H ASN 132 HN ASN 132 4.839 13.095 -4.705 1021 HA ASN 132 HA ASN 132 7.243 14.570 -5.615 1022 1HB ASN 132 2HB ASN 132 4.588 15.284 -5.470 1023 2HB ASN 132 1HB ASN 132 5.244 16.021 -4.008 1024 1HD2 ASN 132 1HD2 ASN 132 6.797 17.750 -4.254 1025 2HD2 ASN 132 2HD2 ASN 132 7.135 18.454 -5.761 1026 H TRP 133 HN TRP 133 8.420 13.083 -3.957 1027 HA TRP 133 HA TRP 133 8.149 13.302 -1.170 1028 1HB TRP 133 2HB TRP 133 10.777 13.222 -2.681 1029 2HB TRP 133 1HB TRP 133 10.507 12.707 -1.017 1030 HD1 TRP 133 HD1 TRP 133 10.167 11.577 -4.586 1031 HE1 TRP 133 HE1 TRP 133 9.298 9.151 -4.646 1032 HE3 TRP 133 HE3 TRP 133 8.915 10.968 0.326 1033 HZ2 TRP 133 HZ2 TRP 133 8.216 7.209 -2.847 1034 HZ3 TRP 133 HZ3 TRP 133 7.969 8.822 1.124 1035 HH2 TRP 133 HH2 TRP 133 7.619 6.944 -0.453 1036 H ASP 134 HN ASP 134 9.426 15.638 -3.446 1037 HA ASP 134 HA ASP 134 10.811 17.312 -1.577 1038 1HB ASP 134 2HB ASP 134 9.976 17.447 -4.364 1039 2HB ASP 134 1HB ASP 134 9.799 19.008 -3.561 1040 H ASP 135 HN ASP 135 7.409 16.948 -2.343 1041 HA ASP 135 HA ASP 135 6.698 19.430 -0.909 1042 1HB ASP 135 2HB ASP 135 5.399 17.616 -2.787 1043 2HB ASP 135 1HB ASP 135 4.355 17.986 -1.414 1044 H PHE 136 HN PHE 136 7.358 16.220 -0.104 1045 HA PHE 136 HA PHE 136 5.700 16.444 2.381 1046 1HB PHE 136 2HB PHE 136 6.678 13.981 0.911 1047 2HB PHE 136 1HB PHE 136 5.917 13.940 2.501 1048 HD1 PHE 136 HD1 PHE 136 5.362 15.177 -0.986 1049 HD2 PHE 136 HD2 PHE 136 3.579 13.845 2.684 1050 HE1 PHE 136 HE1 PHE 136 3.131 15.201 -2.064 1051 HE2 PHE 136 HE2 PHE 136 1.345 13.871 1.607 1052 HZ PHE 136 HZ PHE 136 1.122 14.548 -0.767 1053 H THR 137 HN THR 137 6.746 15.338 4.298 1054 HA THR 137 HA THR 137 9.724 15.432 4.174 1055 HB THR 137 HB THR 137 8.194 16.556 6.521 1056 HG1 THR 137 HG1 THR 137 9.148 17.920 4.225 1057 1HG2 THR 137 1HG2 THR 137 11.004 16.947 5.453 1058 2HG2 THR 137 2HG2 THR 137 10.556 15.979 6.857 1059 3HG2 THR 137 3HG2 THR 137 10.343 17.729 6.889 1060 H LYS 138 HN LYS 138 10.636 13.672 5.185 1061 HA LYS 138 HA LYS 138 8.916 11.620 6.284 1062 1HB LYS 138 2HB LYS 138 11.366 11.588 5.131 1063 2HB LYS 138 1HB LYS 138 11.837 11.530 6.831 1064 1HG LYS 138 2HG LYS 138 9.757 9.717 6.726 1065 2HG LYS 138 1HG LYS 138 10.552 9.472 5.174 1066 1HD LYS 138 2HD LYS 138 12.217 9.668 7.663 1067 2HD LYS 138 1HD LYS 138 11.390 8.154 7.292 1068 1HE LYS 138 2HE LYS 138 13.284 7.738 6.082 1069 2HE LYS 138 1HE LYS 138 12.459 8.710 4.863 1070 1HZ LYS 138 1HE LYS 138 13.607 10.651 5.614 1071 2HZ LYS 138 2HE LYS 138 14.758 9.437 5.314 1072 3HZ LYS 138 3HE LYS 138 14.307 9.808 6.910 1073 H VAL 139 HN VAL 139 8.140 11.605 8.329 1074 HA VAL 139 HA VAL 139 9.484 13.296 10.374 1075 HB VAL 139 HB VAL 139 7.363 12.940 11.665 1076 1HG1 VAL 139 1HG1 VAL 139 7.701 14.884 10.130 1077 2HG1 VAL 139 2HG1 VAL 139 6.009 14.404 10.262 1078 3HG1 VAL 139 3HG1 VAL 139 6.946 13.953 8.837 1079 1HG2 VAL 139 1HG2 VAL 139 6.319 11.707 9.106 1080 2HG2 VAL 139 2HG2 VAL 139 5.507 11.812 10.668 1081 3HG2 VAL 139 3HG2 VAL 139 6.885 10.730 10.461 1082 H SER 140 HN SER 140 8.849 9.959 9.567 1083 HA SER 140 HA SER 140 10.406 9.161 11.964 1084 1HB SER 140 2HB SER 140 7.662 8.094 11.258 1085 2HB SER 140 1HB SER 140 8.753 7.303 12.392 1086 HG SER 140 HG SER 140 8.577 8.998 13.752 1087 H SER 141 HN SER 141 11.718 7.413 11.572 1088 HA SER 141 HA SER 141 11.230 5.693 9.230 1089 1HB SER 141 2HB SER 141 13.988 6.428 9.090 1090 2HB SER 141 1HB SER 141 12.737 6.668 7.875 1091 HG SER 141 HG SER 141 13.722 8.632 8.602 1092 H ARG 142 HN ARG 142 11.994 3.622 9.626 1093 HA ARG 142 HA ARG 142 13.889 3.278 11.911 1094 1HB ARG 142 2HB ARG 142 11.276 2.659 12.155 1095 2HB ARG 142 1HB ARG 142 11.842 1.171 11.397 1096 1HG ARG 142 2HG ARG 142 12.236 0.637 13.610 1097 2HG ARG 142 1HG ARG 142 13.774 1.410 13.222 1098 1HD ARG 142 2HD ARG 142 13.002 2.394 15.277 1099 2HD ARG 142 1HD ARG 142 12.759 3.594 14.010 1100 HE ARG 142 HE ARG 142 10.404 3.289 14.205 1101 1HH1 ARG 142 1HH2 ARG 142 12.198 0.990 16.101 1102 2HH1 ARG 142 2HH2 ARG 142 10.809 0.472 16.992 1103 1HH2 ARG 142 1HH1 ARG 142 8.613 2.595 15.365 1104 2HH2 ARG 142 2HH1 ARG 142 8.792 1.371 16.578 1105 H THR 143 HN THR 143 15.642 1.999 11.335 1106 HA THR 143 HA THR 143 15.448 0.567 8.726 1107 HB THR 143 HB THR 143 17.982 1.214 10.242 1108 HG1 THR 143 HG1 THR 143 17.319 3.198 9.876 1109 1HG2 THR 143 1HG2 THR 143 17.250 0.097 7.609 1110 2HG2 THR 143 2HG2 THR 143 18.721 -0.121 8.556 1111 3HG2 THR 143 3HG2 THR 143 18.515 1.324 7.566 1112 H VAL 144 HN VAL 144 15.491 -1.632 8.751 1113 HA VAL 144 HA VAL 144 16.479 -2.963 11.239 1114 HB VAL 144 HB VAL 144 14.012 -3.051 11.119 1115 1HG1 VAL 144 1HG1 VAL 144 14.022 -4.866 8.783 1116 2HG1 VAL 144 2HG1 VAL 144 14.351 -3.173 8.416 1117 3HG1 VAL 144 3HG1 VAL 144 12.857 -3.623 9.240 1118 1HG2 VAL 144 1HG2 VAL 144 14.306 -5.045 12.127 1119 2HG2 VAL 144 2HG2 VAL 144 15.805 -5.311 11.238 1120 3HG2 VAL 144 3HG2 VAL 144 14.266 -5.816 10.542 1121 H GLU 145 HN GLU 145 18.065 -4.415 10.861 1122 HA GLU 145 HA GLU 145 18.780 -5.064 8.078 1123 1HB GLU 145 2HB GLU 145 20.102 -5.254 10.749 1124 2HB GLU 145 1HB GLU 145 20.629 -6.383 9.501 1125 1HG GLU 145 HG2 GLU 145 20.354 -3.720 8.392 1126 2HG GLU 145 HG1 GLU 145 21.420 -3.692 9.796 1127 H ASP 146 HN ASP 146 19.257 -7.355 7.501 1128 HA ASP 146 HA ASP 146 17.704 -9.342 9.080 1129 1HB ASP 146 2HB ASP 146 16.718 -8.194 6.735 1130 2HB ASP 146 1HB ASP 146 17.390 -9.735 6.202 1131 H THR 147 HN THR 147 18.338 -11.566 8.595 1132 HA THR 147 HA THR 147 21.151 -11.923 8.266 1133 HB THR 147 HB THR 147 20.455 -14.382 7.899 1134 HG1 THR 147 HG1 THR 147 18.434 -14.436 7.292 1135 1HG2 THR 147 1HG2 THR 147 20.807 -14.392 10.118 1136 2HG2 THR 147 2HG2 THR 147 19.131 -13.904 10.367 1137 3HG2 THR 147 3HG2 THR 147 20.391 -12.680 10.212 1138 H ASN 148 HN ASN 148 18.634 -11.545 5.964 1139 HA ASN 148 HA ASN 148 20.356 -12.631 3.783 1140 1HB ASN 148 2HB ASN 148 17.827 -13.231 4.081 1141 2HB ASN 148 1HB ASN 148 17.554 -11.645 3.366 1142 1HD2 ASN 148 1HD2 ASN 148 19.633 -14.532 2.730 1143 2HD2 ASN 148 2HD2 ASN 148 19.430 -14.482 1.046 1144 HA PRO 149 HA PRO 149 21.879 -8.523 2.943 1145 1HB PRO 149 2HB PRO 149 22.208 -9.316 0.171 1146 2HB PRO 149 1HB PRO 149 23.448 -9.002 1.391 1147 1HG PRO 149 2HG PRO 149 22.535 -11.528 0.387 1148 2HG PRO 149 1HG PRO 149 23.824 -11.207 1.554 1149 1HD PRO 149 2HD PRO 149 21.355 -12.414 2.108 1150 2HD PRO 149 1HD PRO 149 22.508 -11.793 3.299 1151 H ALA 150 HN ALA 150 19.708 -10.074 0.557 1152 HA ALA 150 HA ALA 150 18.802 -7.494 -0.457 1153 1HB ALA 150 1HB ALA 150 17.324 -10.065 -0.928 1154 2HB ALA 150 2HB ALA 150 18.909 -9.822 -1.662 1155 3HB ALA 150 3HB ALA 150 17.588 -8.714 -2.032 1156 H LEU 151 HN LEU 151 17.551 -9.878 1.860 1157 HA LEU 151 HA LEU 151 14.917 -8.736 2.030 1158 1HB LEU 151 2HB LEU 151 16.440 -10.383 4.063 1159 2HB LEU 151 1HB LEU 151 14.709 -10.070 4.092 1160 HG LEU 151 HG LEU 151 16.205 -11.507 1.878 1161 1HD1 LEU 151 1HD1 LEU 151 14.071 -12.683 3.646 1162 2HD1 LEU 151 2HD1 LEU 151 15.749 -12.643 4.188 1163 3HD1 LEU 151 3HD1 LEU 151 15.319 -13.511 2.714 1164 1HD2 LEU 151 1HD2 LEU 151 13.760 -12.033 1.202 1165 2HD2 LEU 151 2HD2 LEU 151 14.374 -10.420 0.838 1166 3HD2 LEU 151 3HD2 LEU 151 13.324 -10.670 2.231 1167 H THR 152 HN THR 152 17.832 -7.359 2.967 1168 HA THR 152 HA THR 152 17.033 -6.183 5.494 1169 HB THR 152 HB THR 152 19.012 -5.030 3.508 1170 HG1 THR 152 HG1 THR 152 19.434 -6.991 5.510 1171 1HG2 THR 152 1HG2 THR 152 19.946 -4.765 6.117 1172 2HG2 THR 152 2HG2 THR 152 18.215 -4.459 6.256 1173 3HG2 THR 152 3HG2 THR 152 19.194 -3.495 5.151 1174 H HIS 153 HN HIS 153 16.112 -4.049 5.815 1175 HA HIS 153 HA HIS 153 15.517 -2.370 3.511 1176 1HB HIS 153 2HB HIS 153 13.022 -2.594 3.711 1177 2HB HIS 153 1HB HIS 153 13.825 -4.027 3.078 1178 HD1 HIS 153 HD1 HIS 153 14.548 -5.783 5.191 1179 HD2 HIS 153 HD2 HIS 153 11.273 -3.259 5.728 1180 HE1 HIS 153 HE1 HIS 153 13.182 -6.776 7.076 1181 H THR 154 HN THR 154 14.047 -0.529 4.133 1182 HA THR 154 HA THR 154 14.156 0.070 7.056 1183 HB THR 154 HB THR 154 14.824 2.041 4.848 1184 HG1 THR 154 HG1 THR 154 16.966 1.802 5.779 1185 1HG2 THR 154 1HG2 THR 154 13.960 3.150 6.797 1186 2HG2 THR 154 2HG2 THR 154 15.713 3.341 6.825 1187 3HG2 THR 154 3HG2 THR 154 14.939 2.149 7.867 1188 H TYR 155 HN TYR 155 12.493 1.634 7.719 1189 HA TYR 155 HA TYR 155 10.202 1.711 5.797 1190 1HB TYR 155 2HB TYR 155 10.214 1.893 8.827 1191 2HB TYR 155 1HB TYR 155 8.777 1.953 7.809 1192 HD1 TYR 155 HD1 TYR 155 8.403 -0.053 6.188 1193 HD2 TYR 155 HD2 TYR 155 11.025 -0.170 9.588 1194 HE1 TYR 155 HE1 TYR 155 8.298 -2.531 6.184 1195 HE2 TYR 155 HE2 TYR 155 10.921 -2.647 9.584 1196 HH TYR 155 HH TYR 155 9.489 -4.424 6.972 1197 H GLU 156 HN GLU 156 9.676 3.725 5.013 1198 HA GLU 156 HA GLU 156 10.665 6.087 6.560 1199 1HB GLU 156 2HB GLU 156 10.159 5.797 3.583 1200 2HB GLU 156 1HB GLU 156 10.676 7.280 4.384 1201 1HG GLU 156 HG2 GLU 156 12.679 5.997 5.253 1202 2HG GLU 156 HG1 GLU 156 12.203 4.674 4.187 1203 H VAL 157 HN VAL 157 9.056 7.282 7.467 1204 HA VAL 157 HA VAL 157 6.316 7.092 6.284 1205 HB VAL 157 HB VAL 157 7.207 7.806 9.100 1206 1HG1 VAL 157 1HG1 VAL 157 5.092 8.476 9.569 1207 2HG1 VAL 157 2HG1 VAL 157 4.375 7.179 8.616 1208 3HG1 VAL 157 3HG1 VAL 157 4.910 8.660 7.825 1209 1HG2 VAL 157 1HG2 VAL 157 5.515 5.598 9.173 1210 2HG2 VAL 157 2HG2 VAL 157 7.271 5.556 9.325 1211 3HG2 VAL 157 3HG2 VAL 157 6.517 5.301 7.752 1212 H TRP 158 HN TRP 158 5.608 8.943 5.279 1213 HA TRP 158 HA TRP 158 6.996 11.497 5.993 1214 1HB TRP 158 2HB TRP 158 5.697 10.684 3.378 1215 2HB TRP 158 1HB TRP 158 6.420 12.257 3.703 1216 HD1 TRP 158 HD1 TRP 158 7.472 8.532 3.781 1217 HE1 TRP 158 HE1 TRP 158 9.936 8.385 3.039 1218 HE3 TRP 158 HE3 TRP 158 8.517 13.496 3.194 1219 HZ2 TRP 158 HZ2 TRP 158 12.072 10.139 2.302 1220 HZ3 TRP 158 HZ3 TRP 158 10.771 14.230 2.473 1221 HH2 TRP 158 HH2 TRP 158 12.549 12.560 2.027 1222 H GLN 159 HN GLN 159 5.652 13.453 5.730 1223 HA GLN 159 HA GLN 159 2.723 13.015 6.014 1224 1HB GLN 159 2HB GLN 159 4.490 14.596 7.911 1225 2HB GLN 159 1HB GLN 159 2.732 14.728 7.877 1226 1HG GLN 159 2HG GLN 159 3.925 11.994 8.078 1227 2HG GLN 159 1HG GLN 159 3.951 13.016 9.515 1228 1HE2 GLN 159 1HE2 GLN 159 2.167 12.562 10.803 1229 2HE2 GLN 159 2HE2 GLN 159 0.605 12.228 10.228 1230 H LYS 160 HN LYS 160 1.512 14.791 5.088 1231 HA LYS 160 HA LYS 160 3.087 16.504 3.321 1232 1HB LYS 160 2HB LYS 160 0.781 15.402 2.850 1233 2HB LYS 160 1HB LYS 160 0.119 16.738 3.793 1234 1HG LYS 160 2HG LYS 160 2.033 17.804 1.943 1235 2HG LYS 160 1HG LYS 160 0.926 16.755 1.057 1236 1HD LYS 160 2HD LYS 160 -0.354 18.533 3.047 1237 2HD LYS 160 1HD LYS 160 0.379 19.354 1.669 1238 1HE LYS 160 2HE LYS 160 -0.874 17.335 0.377 1239 2HE LYS 160 1HE LYS 160 -1.957 17.523 1.756 1240 1HZ LYS 160 1HE LYS 160 -1.133 19.619 -0.174 1241 2HZ LYS 160 2HE LYS 160 -1.998 19.937 1.253 1242 3HZ LYS 160 3HE LYS 160 -2.686 18.972 0.036 1243 H LYS 161 HN LYS 161 3.678 18.574 3.748 1244 HA LYS 161 HA LYS 161 3.185 19.733 6.354 1245 1HB LYS 161 2HB LYS 161 4.345 20.950 3.828 1246 2HB LYS 161 1HB LYS 161 4.381 21.706 5.421 1247 1HG LYS 161 2HG LYS 161 5.408 19.272 6.034 1248 2HG LYS 161 1HG LYS 161 5.972 19.433 4.370 1249 1HD LYS 161 2HD LYS 161 7.468 21.039 4.920 1250 2HD LYS 161 1HD LYS 161 6.300 21.898 5.925 1251 1HE LYS 161 2HE LYS 161 7.475 19.303 6.887 1252 2HE LYS 161 1HE LYS 161 8.393 20.799 7.058 1253 1HZ LYS 161 1HE LYS 161 6.148 21.668 8.010 1254 2HZ LYS 161 2HE LYS 161 7.208 20.778 8.996 1255 3HZ LYS 161 3HE LYS 161 5.851 20.025 8.305 1256 H ALA 162 HN ALA 162 1.975 21.668 6.799 1257 HA ALA 162 HA ALA 162 -0.149 22.252 4.770 1258 1HB ALA 162 1HB ALA 162 -0.784 21.036 6.988 1259 2HB ALA 162 2HB ALA 162 -1.762 22.411 6.474 1260 3HB ALA 162 3HB ALA 162 -0.546 22.616 7.734 1261 AH51 NDP 168 AH51 NDP 168 -5.702 -3.541 -9.229 1262 AH52 NDP 168 AH52 NDP 168 -5.596 -2.190 -10.370 1263 AH4* NDP 168 AH4* NDP 168 -7.767 -4.320 -10.435 1264 AH3* NDP 168 AH3* NDP 168 -7.408 -1.775 -12.037 1265 AHO3 NDP 168 AHO3 NDP 168 -8.267 -4.450 -12.589 1266 AH2* NDP 168 AH2* NDP 168 -9.806 -1.611 -12.060 1267 AH1* NDP 168 AH1* NDP 168 -10.148 -2.244 -9.383 1268 AH8 NDP 168 AH8 NDP 168 -7.043 -0.137 -9.855 1269 AH61 NDP 168 AH61 NDP 168 -10.841 4.722 -9.185 1270 AH62 NDP 168 AH62 NDP 168 -9.175 4.195 -9.164 1271 AH2 NDP 168 AH2 NDP 168 -13.362 1.027 -9.518 1272 NH51 NDP 168 NH51 NDP 168 -0.838 -4.489 -10.639 1273 NH52 NDP 168 NH52 NDP 168 -1.871 -5.652 -9.817 1274 NH4* NDP 168 NH4* NDP 168 0.679 -6.114 -9.769 1275 NH3* NDP 168 NH3* NDP 168 -0.931 -6.124 -7.196 1276 NHO3 NDP 168 NHO3 NDP 168 -0.477 -7.816 -9.312 1277 NH2* NDP 168 NH2* NDP 168 1.105 -6.844 -6.134 1278 NHO2 NDP 168 NHO2 NDP 168 1.679 -8.247 -8.062 1279 NH1* NDP 168 NH1* NDP 168 2.734 -5.037 -7.485 1280 NH2 NDP 168 NH2 NDP 168 3.272 -3.750 -5.548 1281 NH71 NDP 168 NH71 NDP 168 4.668 -3.279 -4.713 1282 NH72 NDP 168 NH72 NDP 168 5.136 -2.518 -3.210 1283 NH41 NDP 168 NH41 NDP 168 0.203 -1.997 -3.720 1284 NH42 NDP 168 NH42 NDP 168 0.366 -3.550 -2.829 1285 NH5 NDP 168 NH5 NDP 168 -1.565 -3.611 -4.397 1286 NH6 NDP 168 NH6 NDP 168 -0.863 -4.762 -6.531 1287 H1 TRR 170 H1 TRR 170 4.701 -5.189 1.576 1288 1H2 TRR 170 1H2 TRR 170 5.521 -3.280 2.746 1289 2H2 TRR 170 2H2 TRR 170 4.637 -1.817 2.706 1290 1H4 TRR 170 1H4 TRR 170 -0.057 -2.936 -0.589 1291 2H4 TRR 170 2H4 TRR 170 0.521 -1.570 0.244 1292 H6 TRR 170 H6 TRR 170 3.097 -6.336 0.186 1293 1H7 TRR 170 1H7 TRR 170 1.005 -4.924 -1.873 1294 2H7 TRR 170 2H7 TRR 170 -0.155 -4.858 -0.543 1295 H12 TRR 170 H12 TRR 170 1.417 -6.988 -2.804 1296 H16 TRR 170 H16 TRR 170 0.234 -6.735 1.333 1297 1H17 TRR 170 1H17 TRR 170 1.420 -8.058 -4.187 1298 2H17 TRR 170 2H17 TRR 170 1.401 -9.632 -4.956 1299 3H17 TRR 170 3H17 TRR 170 2.887 -9.017 -4.257 1300 1H18 TRR 170 1H18 TRR 170 2.843 -10.858 -0.062 1301 2H18 TRR 170 2H18 TRR 170 2.376 -11.892 -1.405 1302 3H18 TRR 170 3H18 TRR 170 2.032 -12.386 0.246 1303 1H19 TRR 170 1H19 TRR 170 -0.713 -7.718 2.594 1304 2H19 TRR 170 2H19 TRR 170 0.728 -8.301 3.407 1305 3H19 TRR 170 3H19 TRR 170 -0.786 -9.178 3.565 Start of MODEL 5 1 1H THR 1 1H THR 1 -5.464 10.347 4.306 2 2H THR 1 2H THR 1 -6.685 10.735 3.191 3 3H THR 1 3H THR 1 -5.137 11.416 3.031 4 HA THR 1 HA THR 1 -5.783 8.532 2.758 5 HB THR 1 HB THR 1 -4.960 10.551 0.657 6 HG1 THR 1 HG1 THR 1 -7.045 10.986 1.179 7 1HG2 THR 1 1HG2 THR 1 -6.200 7.965 -0.061 8 2HG2 THR 1 2HG2 THR 1 -4.590 7.849 0.650 9 3HG2 THR 1 3HG2 THR 1 -4.844 8.810 -0.807 10 H ALA 2 HN ALA 2 -3.996 7.232 2.863 11 HA ALA 2 HA ALA 2 -1.326 8.574 2.771 12 1HB ALA 2 1HB ALA 2 -2.151 6.279 4.576 13 2HB ALA 2 2HB ALA 2 -1.967 7.955 5.094 14 3HB ALA 2 3HB ALA 2 -0.564 7.046 4.532 15 H PHE 3 HN PHE 3 0.383 7.278 1.905 16 HA PHE 3 HA PHE 3 -0.581 5.038 0.180 17 1HB PHE 3 2HB PHE 3 1.715 6.977 0.011 18 2HB PHE 3 1HB PHE 3 1.831 5.425 -0.807 19 HD1 PHE 3 HD1 PHE 3 -1.584 6.042 -0.873 20 HD2 PHE 3 HD2 PHE 3 2.066 7.534 -2.574 21 HE1 PHE 3 HE1 PHE 3 -2.847 6.953 -2.798 22 HE2 PHE 3 HE2 PHE 3 0.796 8.447 -4.492 23 HZ PHE 3 HZ PHE 3 -1.660 8.155 -4.605 24 H LEU 4 HN LEU 4 0.145 2.962 0.629 25 HA LEU 4 HA LEU 4 2.465 2.715 2.488 26 1HB LEU 4 2HB LEU 4 0.603 2.342 3.924 27 2HB LEU 4 1HB LEU 4 -0.267 1.432 2.694 28 HG LEU 4 HG LEU 4 1.302 -0.421 2.875 29 1HD1 LEU 4 1HD1 LEU 4 3.201 -0.375 4.385 30 2HD1 LEU 4 2HD1 LEU 4 2.734 1.212 4.999 31 3HD1 LEU 4 3HD1 LEU 4 3.310 1.042 3.339 32 1HD2 LEU 4 1HD2 LEU 4 -0.250 -0.895 4.496 33 2HD2 LEU 4 2HD2 LEU 4 -0.066 0.677 5.275 34 3HD2 LEU 4 3HD2 LEU 4 1.108 -0.603 5.583 35 H TRP 5 HN TRP 5 3.899 1.950 0.914 36 HA TRP 5 HA TRP 5 3.215 -0.713 -0.201 37 1HB TRP 5 2HB TRP 5 3.882 -0.150 -2.430 38 2HB TRP 5 1HB TRP 5 2.736 1.086 -1.923 39 HD1 TRP 5 HD1 TRP 5 6.120 0.665 -3.314 40 HE1 TRP 5 HE1 TRP 5 7.390 2.909 -3.314 41 HE3 TRP 5 HE3 TRP 5 3.055 3.414 -0.291 42 HZ2 TRP 5 HZ2 TRP 5 7.139 5.524 -2.180 43 HZ3 TRP 5 HZ3 TRP 5 3.595 5.776 0.231 44 HH2 TRP 5 HH2 TRP 5 5.631 6.833 -0.709 45 H ALA 6 HN ALA 6 5.343 -1.520 -1.413 46 HA ALA 6 HA ALA 6 7.720 -0.751 0.222 47 1HB ALA 6 1HB ALA 6 6.957 -2.792 1.236 48 2HB ALA 6 2HB ALA 6 8.318 -3.229 0.204 49 3HB ALA 6 3HB ALA 6 6.668 -3.537 -0.336 50 H GLN 7 HN GLN 7 9.602 -0.632 -0.992 51 HA GLN 7 HA GLN 7 9.556 -1.782 -3.725 52 1HB GLN 7 2HB GLN 7 10.430 0.391 -4.641 53 2HB GLN 7 1HB GLN 7 8.758 0.467 -4.088 54 1HG GLN 7 2HG GLN 7 9.256 1.986 -2.493 55 2HG GLN 7 1HG GLN 7 10.642 1.049 -1.934 56 1HE2 GLN 7 1HE2 GLN 7 9.733 3.090 -4.780 57 2HE2 GLN 7 2HE2 GLN 7 11.260 3.816 -4.925 58 H ASP 8 HN ASP 8 11.671 -1.972 -4.685 59 HA ASP 8 HA ASP 8 13.754 -2.371 -2.649 60 1HB ASP 8 2HB ASP 8 15.025 -3.404 -4.521 61 2HB ASP 8 1HB ASP 8 13.421 -4.110 -4.337 62 H ARG 9 HN ARG 9 16.062 -1.871 -4.064 63 HA ARG 9 HA ARG 9 16.472 0.900 -3.637 64 1HB ARG 9 2HB ARG 9 18.591 0.565 -4.943 65 2HB ARG 9 1HB ARG 9 18.353 -0.616 -3.657 66 1HG ARG 9 2HG ARG 9 18.757 -2.152 -5.280 67 2HG ARG 9 1HG ARG 9 17.090 -1.844 -5.762 68 1HD ARG 9 2HD ARG 9 18.535 -1.628 -7.712 69 2HD ARG 9 1HD ARG 9 17.908 -0.042 -7.286 70 HE ARG 9 HE ARG 9 20.103 0.418 -6.189 71 1HH1 ARG 9 1HH1 ARG 9 19.871 -2.221 -8.451 72 2HH1 ARG 9 2HH1 ARG 9 21.563 -2.217 -8.797 73 1HH2 ARG 9 1HH2 ARG 9 22.298 0.400 -6.658 74 2HH2 ARG 9 2HH2 ARG 9 22.928 -0.748 -7.792 75 H ASP 10 HN ASP 10 15.806 -0.844 -6.702 76 HA ASP 10 HA ASP 10 15.996 1.534 -8.325 77 1HB ASP 10 2HB ASP 10 15.167 -1.285 -8.695 78 2HB ASP 10 1HB ASP 10 14.416 -0.127 -9.793 79 H GLY 11 HN GLY 11 13.396 -0.005 -6.532 80 1HA GLY 11 2HA GLY 11 11.544 1.434 -5.754 81 2HA GLY 11 1HA GLY 11 11.658 2.314 -7.275 82 H LEU 12 HN LEU 12 11.619 -1.213 -6.803 83 HA LEU 12 HA LEU 12 9.366 -1.386 -8.721 84 1HB LEU 12 2HB LEU 12 11.342 -2.879 -8.988 85 2HB LEU 12 1HB LEU 12 11.005 -3.573 -7.403 86 HG LEU 12 HG LEU 12 8.701 -4.176 -8.276 87 1HD1 LEU 12 1HD1 LEU 12 8.100 -3.781 -10.438 88 2HD1 LEU 12 2HD1 LEU 12 9.731 -4.064 -11.049 89 3HD1 LEU 12 3HD1 LEU 12 9.314 -2.505 -10.335 90 1HD2 LEU 12 1HD2 LEU 12 9.789 -6.146 -8.350 91 2HD2 LEU 12 2HD2 LEU 12 11.290 -5.376 -8.860 92 3HD2 LEU 12 3HD2 LEU 12 10.078 -5.831 -10.060 93 H ILE 13 HN ILE 13 7.421 -2.661 -8.138 94 HA ILE 13 HA ILE 13 7.013 -2.785 -5.182 95 HB ILE 13 HB ILE 13 4.481 -2.478 -5.979 96 1HG1 ILE 13 2HG1 ILE 13 5.644 -0.485 -7.834 97 2HG1 ILE 13 1HG1 ILE 13 5.680 -2.151 -8.401 98 1HG2 ILE 13 1HG2 ILE 13 4.630 -0.453 -4.936 99 2HG2 ILE 13 2HG2 ILE 13 5.986 0.078 -5.932 100 3HG2 ILE 13 3HG2 ILE 13 6.263 -1.012 -4.573 101 1HD1 ILE 13 1HD1 ILE 13 3.319 -2.384 -8.203 102 2HD1 ILE 13 2HD1 ILE 13 3.572 -0.816 -8.971 103 3HD1 ILE 13 3HD1 ILE 13 3.181 -0.904 -7.254 104 H GLY 14 HN GLY 14 5.306 -3.964 -8.138 105 1HA GLY 14 2HA GLY 14 5.587 -6.715 -7.009 106 2HA GLY 14 1HA GLY 14 3.972 -6.123 -7.392 107 H LYS 15 HN LYS 15 6.051 -8.198 -8.586 108 HA LYS 15 HA LYS 15 5.682 -7.309 -11.415 109 1HB LYS 15 2HB LYS 15 8.058 -7.502 -10.626 110 2HB LYS 15 1HB LYS 15 7.769 -9.213 -10.312 111 1HG LYS 15 2HG LYS 15 6.987 -9.336 -12.772 112 2HG LYS 15 1HG LYS 15 7.779 -7.771 -12.962 113 1HD LYS 15 2HD LYS 15 9.599 -9.080 -13.432 114 2HD LYS 15 1HD LYS 15 9.742 -9.110 -11.674 115 1HE LYS 15 2HE LYS 15 8.908 -11.267 -11.503 116 2HE LYS 15 1HE LYS 15 7.978 -11.137 -12.997 117 1HZ LYS 15 1HE LYS 15 9.994 -11.256 -14.266 118 2HZ LYS 15 2HE LYS 15 9.941 -12.581 -13.203 119 3HZ LYS 15 3HE LYS 15 10.942 -11.252 -12.860 120 H ASP 16 HN ASP 16 4.336 -8.569 -12.600 121 HA ASP 16 HA ASP 16 2.921 -10.338 -13.165 122 1HB ASP 16 2HB ASP 16 5.356 -11.770 -12.093 123 2HB ASP 16 1HB ASP 16 3.997 -12.626 -12.824 124 H GLY 17 HN GLY 17 2.019 -9.219 -10.790 125 1HA GLY 17 2HA GLY 17 0.455 -9.831 -9.162 126 2HA GLY 17 1HA GLY 17 0.732 -11.517 -9.579 127 H HIS 18 HN HIS 18 2.652 -12.556 -8.638 128 HA HIS 18 HA HIS 18 2.858 -12.182 -5.858 129 1HB HIS 18 2HB HIS 18 4.855 -13.670 -6.004 130 2HB HIS 18 1HB HIS 18 3.482 -14.279 -6.926 131 HD1 HIS 18 HD1 HIS 18 6.825 -12.579 -7.384 132 HD2 HIS 18 HD2 HIS 18 3.886 -14.405 -9.709 133 HE1 HIS 18 HE1 HIS 18 7.798 -12.818 -9.710 134 H LEU 19 HN LEU 19 5.491 -12.130 -5.117 135 HA LEU 19 HA LEU 19 6.382 -9.396 -5.934 136 1HB LEU 19 2HB LEU 19 6.195 -10.735 -3.256 137 2HB LEU 19 1HB LEU 19 7.498 -9.578 -3.529 138 HG LEU 19 HG LEU 19 4.684 -8.852 -4.291 139 1HD1 LEU 19 1HD1 LEU 19 4.982 -9.734 -1.820 140 2HD1 LEU 19 2HD1 LEU 19 4.087 -8.245 -2.124 141 3HD1 LEU 19 3HD1 LEU 19 5.761 -8.170 -1.574 142 1HD2 LEU 19 1HD2 LEU 19 7.160 -7.349 -3.391 143 2HD2 LEU 19 2HD2 LEU 19 5.595 -6.583 -3.665 144 3HD2 LEU 19 3HD2 LEU 19 6.447 -7.352 -5.004 145 HA PRO 20 HA PRO 20 10.263 -11.276 -6.975 146 1HB PRO 20 2HB PRO 20 11.827 -8.969 -6.390 147 2HB PRO 20 1HB PRO 20 11.146 -9.436 -7.955 148 1HG PRO 20 2HG PRO 20 10.399 -7.216 -6.427 149 2HG PRO 20 1HG PRO 20 9.518 -7.885 -7.807 150 1HD PRO 20 2HD PRO 20 8.964 -8.173 -4.903 151 2HD PRO 20 1HD PRO 20 7.848 -8.231 -6.286 152 H TRP 21 HN TRP 21 10.224 -9.391 -3.956 153 HA TRP 21 HA TRP 21 12.372 -11.171 -2.900 154 1HB TRP 21 2HB TRP 21 12.650 -9.408 -1.158 155 2HB TRP 21 1HB TRP 21 12.894 -8.788 -2.790 156 HD1 TRP 21 HD1 TRP 21 10.348 -8.782 0.065 157 HE1 TRP 21 HE1 TRP 21 8.706 -6.829 -0.294 158 HE3 TRP 21 HE3 TRP 21 11.880 -7.172 -4.539 159 HZ2 TRP 21 HZ2 TRP 21 8.120 -4.844 -2.265 160 HZ3 TRP 21 HZ3 TRP 21 10.759 -5.245 -5.629 161 HH2 TRP 21 HH2 TRP 21 8.885 -4.081 -4.499 162 H HIS 22 HN HIS 22 11.847 -12.631 -1.347 163 HA HIS 22 HA HIS 22 9.090 -12.613 -0.262 164 1HB HIS 22 2HB HIS 22 10.349 -14.709 -1.151 165 2HB HIS 22 1HB HIS 22 11.225 -14.652 0.379 166 HD1 HIS 22 HD1 HIS 22 8.252 -16.046 -1.074 167 HD2 HIS 22 HD2 HIS 22 9.227 -14.525 2.683 168 HE1 HIS 22 HE1 HIS 22 6.501 -16.925 0.532 169 H LEU 23 HN LEU 23 9.050 -11.023 1.341 170 HA LEU 23 HA LEU 23 10.995 -11.384 3.586 171 1HB LEU 23 2HB LEU 23 11.446 -9.315 2.252 172 2HB LEU 23 1HB LEU 23 9.813 -8.761 2.620 173 HG LEU 23 HG LEU 23 10.366 -8.908 5.057 174 1HD1 LEU 23 1HD1 LEU 23 12.227 -9.971 5.731 175 2HD1 LEU 23 2HD1 LEU 23 13.223 -8.838 4.820 176 3HD1 LEU 23 3HD1 LEU 23 12.630 -10.308 4.048 177 1HD2 LEU 23 1HD2 LEU 23 10.911 -6.899 3.298 178 2HD2 LEU 23 2HD2 LEU 23 12.515 -7.165 3.981 179 3HD2 LEU 23 3HD2 LEU 23 11.164 -6.757 5.039 180 HA PRO 24 HA PRO 24 6.957 -12.098 5.544 181 1HB PRO 24 2HB PRO 24 8.294 -13.048 7.868 182 2HB PRO 24 1HB PRO 24 7.502 -14.009 6.614 183 1HG PRO 24 2HG PRO 24 10.286 -13.800 7.151 184 2HG PRO 24 1HG PRO 24 9.494 -14.706 5.855 185 1HD PRO 24 2HD PRO 24 10.972 -12.213 5.690 186 2HD PRO 24 1HD PRO 24 10.373 -13.241 4.380 187 H ASP 25 HN ASP 25 9.804 -10.535 6.953 188 HA ASP 25 HA ASP 25 8.429 -9.300 9.162 189 1HB ASP 25 2HB ASP 25 10.986 -9.568 8.740 190 2HB ASP 25 1HB ASP 25 10.827 -8.083 7.800 191 H ASP 26 HN ASP 26 8.676 -8.549 5.769 192 HA ASP 26 HA ASP 26 7.856 -5.766 6.052 193 1HB ASP 26 2HB ASP 26 9.166 -6.426 4.109 194 2HB ASP 26 1HB ASP 26 7.953 -7.620 3.652 195 H LEU 27 HN LEU 27 6.248 -8.823 5.117 196 HA LEU 27 HA LEU 27 3.683 -7.784 4.554 197 1HB LEU 27 2HB LEU 27 4.455 -10.404 5.880 198 2HB LEU 27 1HB LEU 27 2.840 -10.037 5.272 199 HG LEU 27 HG LEU 27 5.236 -9.735 3.477 200 1HD1 LEU 27 1HD1 LEU 27 3.817 -12.245 3.105 201 2HD1 LEU 27 2HD1 LEU 27 4.541 -12.162 4.711 202 3HD1 LEU 27 3HD1 LEU 27 5.549 -11.960 3.279 203 1HD2 LEU 27 1HD2 LEU 27 3.657 -9.736 1.767 204 2HD2 LEU 27 2HD2 LEU 27 2.724 -8.994 3.067 205 3HD2 LEU 27 3HD2 LEU 27 2.507 -10.704 2.691 206 H HIS 28 HN HIS 28 5.080 -8.791 7.683 207 HA HIS 28 HA HIS 28 2.797 -8.260 9.297 208 1HB HIS 28 2HB HIS 28 5.734 -7.948 10.006 209 2HB HIS 28 1HB HIS 28 4.408 -8.050 11.164 210 HD1 HIS 28 HD1 HIS 28 2.857 -10.302 9.465 211 HD2 HIS 28 HD2 HIS 28 6.817 -10.472 10.758 212 HE1 HIS 28 HE1 HIS 28 3.479 -12.755 9.546 213 H TYR 29 HN TYR 29 5.386 -6.146 8.113 214 HA TYR 29 HA TYR 29 4.638 -3.805 9.592 215 1HB TYR 29 2HB TYR 29 6.782 -4.146 8.265 216 2HB TYR 29 1HB TYR 29 5.834 -3.849 6.808 217 HD1 TYR 29 HD1 TYR 29 6.438 -2.348 10.195 218 HD2 TYR 29 HD2 TYR 29 5.653 -1.660 6.028 219 HE1 TYR 29 HE1 TYR 29 6.640 0.097 10.561 220 HE2 TYR 29 HE2 TYR 29 5.855 0.785 6.394 221 HH TYR 29 HH TYR 29 5.690 2.393 8.188 222 H PHE 30 HN PHE 30 3.509 -5.220 6.579 223 HA PHE 30 HA PHE 30 1.892 -2.992 5.725 224 1HB PHE 30 2HB PHE 30 2.521 -4.780 4.169 225 2HB PHE 30 1HB PHE 30 1.633 -5.958 5.134 226 HD1 PHE 30 HD1 PHE 30 0.873 -2.498 3.872 227 HD2 PHE 30 HD2 PHE 30 -0.338 -6.613 4.092 228 HE1 PHE 30 HE1 PHE 30 -1.203 -1.955 2.627 229 HE2 PHE 30 HE2 PHE 30 -2.413 -6.069 2.846 230 HZ PHE 30 HZ PHE 30 -2.842 -3.740 2.112 231 H ARG 31 HN ARG 31 1.110 -5.993 7.512 232 HA ARG 31 HA ARG 31 -1.657 -5.400 7.891 233 1HB ARG 31 2HB ARG 31 -0.020 -7.521 8.482 234 2HB ARG 31 1HB ARG 31 -0.309 -6.848 10.086 235 1HG ARG 31 2HG ARG 31 -2.818 -6.751 9.213 236 2HG ARG 31 1HG ARG 31 -2.253 -8.038 8.150 237 1HD ARG 31 2HD ARG 31 -1.936 -8.048 11.164 238 2HD ARG 31 1HD ARG 31 -3.203 -8.901 10.291 239 HE ARG 31 HE ARG 31 -1.520 -10.381 9.360 240 1HH1 ARG 31 1HH2 ARG 31 -0.310 -8.051 11.646 241 2HH1 ARG 31 2HH2 ARG 31 1.154 -8.925 11.927 242 1HH2 ARG 31 1HH1 ARG 31 0.389 -11.491 9.737 243 2HH2 ARG 31 2HH1 ARG 31 1.549 -10.857 10.856 244 H ALA 32 HN ALA 32 0.964 -5.176 10.306 245 HA ALA 32 HA ALA 32 -0.382 -3.760 12.292 246 1HB ALA 32 1HB ALA 32 1.659 -3.663 13.253 247 2HB ALA 32 2HB ALA 32 2.325 -2.725 11.916 248 3HB ALA 32 3HB ALA 32 2.260 -4.485 11.813 249 H GLN 33 HN GLN 33 1.133 -2.423 9.357 250 HA GLN 33 HA GLN 33 0.687 0.333 10.091 251 1HB GLN 33 2HB GLN 33 1.324 -1.088 7.510 252 2HB GLN 33 1HB GLN 33 0.985 0.643 7.533 253 1HG GLN 33 2HG GLN 33 2.884 -0.253 9.608 254 2HG GLN 33 1HG GLN 33 3.464 -0.449 7.954 255 1HE2 GLN 33 1HE2 GLN 33 1.516 2.082 9.658 256 2HE2 GLN 33 2HE2 GLN 33 2.451 3.381 9.093 257 H THR 34 HN THR 34 -1.413 -2.127 8.904 258 HA THR 34 HA THR 34 -3.420 -0.022 8.188 259 HB THR 34 HB THR 34 -4.499 -1.834 6.790 260 HG1 THR 34 HG1 THR 34 -2.672 -3.305 8.008 261 1HG2 THR 34 1HG2 THR 34 -3.208 -1.287 4.942 262 2HG2 THR 34 2HG2 THR 34 -1.691 -1.426 5.830 263 3HG2 THR 34 3HG2 THR 34 -2.729 -0.019 6.071 264 H VAL 35 HN VAL 35 -2.860 -1.261 10.863 265 HA VAL 35 HA VAL 35 -5.104 -3.056 11.384 266 HB VAL 35 HB VAL 35 -4.481 -2.705 13.784 267 1HG1 VAL 35 1HG1 VAL 35 -1.992 -3.486 13.383 268 2HG1 VAL 35 2HG1 VAL 35 -2.494 -3.522 11.692 269 3HG1 VAL 35 3HG1 VAL 35 -3.335 -4.515 12.883 270 1HG2 VAL 35 1HG2 VAL 35 -3.129 -0.420 12.608 271 2HG2 VAL 35 2HG2 VAL 35 -1.991 -1.416 13.516 272 3HG2 VAL 35 3HG2 VAL 35 -3.432 -0.779 14.307 273 H GLY 36 HN GLY 36 -7.168 -2.266 11.344 274 1HA GLY 36 2HA GLY 36 -8.993 -0.944 12.002 275 2HA GLY 36 1HA GLY 36 -7.903 -0.037 13.047 276 H LYS 37 HN LYS 37 -6.834 -0.243 9.783 277 HA LYS 37 HA LYS 37 -7.869 2.528 9.316 278 1HB LYS 37 2HB LYS 37 -5.229 1.246 8.591 279 2HB LYS 37 1HB LYS 37 -5.786 2.745 7.848 280 1HG LYS 37 2HG LYS 37 -6.128 3.614 10.243 281 2HG LYS 37 1HG LYS 37 -5.168 2.227 10.759 282 1HD LYS 37 2HD LYS 37 -3.329 2.960 9.266 283 2HD LYS 37 1HD LYS 37 -4.284 4.371 8.806 284 1HE LYS 37 2HE LYS 37 -4.360 5.051 11.209 285 2HE LYS 37 1HE LYS 37 -3.293 3.700 11.591 286 1HZ LYS 37 1HE LYS 37 -2.642 5.862 9.664 287 2HZ LYS 37 2HE LYS 37 -1.608 4.617 10.183 288 3HZ LYS 37 3HE LYS 37 -2.108 5.820 11.274 289 H ILE 38 HN ILE 38 -8.275 3.086 7.030 290 HA ILE 38 HA ILE 38 -9.657 0.951 5.627 291 HB ILE 38 HB ILE 38 -8.924 3.756 4.732 292 1HG1 ILE 38 2HG1 ILE 38 -11.518 2.665 5.865 293 2HG1 ILE 38 1HG1 ILE 38 -10.344 3.609 6.781 294 1HG2 ILE 38 1HG2 ILE 38 -9.875 3.274 2.752 295 2HG2 ILE 38 2HG2 ILE 38 -11.317 2.651 3.552 296 3HG2 ILE 38 3HG2 ILE 38 -9.949 1.583 3.243 297 1HD1 ILE 38 1HD1 ILE 38 -12.085 5.106 5.982 298 2HD1 ILE 38 2HD1 ILE 38 -11.871 4.524 4.329 299 3HD1 ILE 38 3HD1 ILE 38 -10.590 5.452 5.113 300 H MET 39 HN MET 39 -8.604 -0.566 4.414 301 HA MET 39 HA MET 39 -5.983 0.181 3.193 302 1HB MET 39 2HB MET 39 -6.026 -1.797 4.707 303 2HB MET 39 1HB MET 39 -7.187 -2.569 3.627 304 1HG MET 39 2HG MET 39 -5.244 -1.866 1.851 305 2HG MET 39 1HG MET 39 -4.272 -2.168 3.291 306 1HE MET 39 1HE MET 39 -7.720 -3.790 2.185 307 2HE MET 39 2HE MET 39 -7.100 -5.066 1.140 308 3HE MET 39 3HE MET 39 -6.770 -3.379 0.752 309 H VAL 40 HN VAL 40 -6.213 0.845 1.102 310 HA VAL 40 HA VAL 40 -8.400 -0.304 -0.550 311 HB VAL 40 HB VAL 40 -6.483 1.895 -1.348 312 1HG1 VAL 40 1HG1 VAL 40 -8.604 0.527 -2.644 313 2HG1 VAL 40 2HG1 VAL 40 -7.734 1.948 -3.218 314 3HG1 VAL 40 3HG1 VAL 40 -9.205 2.141 -2.265 315 1HG2 VAL 40 1HG2 VAL 40 -9.075 2.076 0.220 316 2HG2 VAL 40 2HG2 VAL 40 -8.290 3.456 -0.549 317 3HG2 VAL 40 3HG2 VAL 40 -7.475 2.592 0.755 318 H VAL 41 HN VAL 41 -7.940 -1.994 -1.852 319 HA VAL 41 HA VAL 41 -5.202 -2.183 -3.041 320 HB VAL 41 HB VAL 41 -5.452 -4.692 -2.848 321 1HG1 VAL 41 1HG1 VAL 41 -5.184 -4.596 -0.226 322 2HG1 VAL 41 2HG1 VAL 41 -5.198 -2.854 -0.493 323 3HG1 VAL 41 3HG1 VAL 41 -3.969 -3.854 -1.265 324 1HG2 VAL 41 1HG2 VAL 41 -7.961 -4.560 -2.510 325 2HG2 VAL 41 2HG2 VAL 41 -7.637 -3.986 -0.869 326 3HG2 VAL 41 3HG2 VAL 41 -7.112 -5.601 -1.362 327 H GLY 42 HN GLY 42 -5.248 -2.463 -5.247 328 1HA GLY 42 2HA GLY 42 -7.611 -2.249 -6.765 329 2HA GLY 42 1HA GLY 42 -6.088 -2.876 -7.396 330 H ARG 43 HN ARG 43 -9.018 -3.745 -7.675 331 HA ARG 43 HA ARG 43 -9.580 -6.159 -6.391 332 1HB ARG 43 2HB ARG 43 -11.065 -4.919 -8.010 333 2HB ARG 43 1HB ARG 43 -10.114 -5.611 -9.322 334 1HG ARG 43 2HG ARG 43 -11.098 -7.535 -7.290 335 2HG ARG 43 1HG ARG 43 -12.335 -6.794 -8.304 336 1HD ARG 43 2HD ARG 43 -9.835 -8.079 -9.430 337 2HD ARG 43 1HD ARG 43 -11.350 -8.949 -9.216 338 HE ARG 43 HE ARG 43 -11.760 -6.512 -10.717 339 1HH1 ARG 43 1HH2 ARG 43 -10.567 -9.768 -10.880 340 2HH1 ARG 43 2HH2 ARG 43 -10.865 -9.921 -12.578 341 1HH2 ARG 43 1HH1 ARG 43 -12.144 -6.726 -12.936 342 2HH2 ARG 43 2HH1 ARG 43 -11.754 -8.211 -13.734 343 H ARG 44 HN ARG 44 -7.049 -5.588 -8.737 344 HA ARG 44 HA ARG 44 -6.885 -8.448 -9.435 345 1HB ARG 44 2HB ARG 44 -5.675 -5.961 -10.379 346 2HB ARG 44 1HB ARG 44 -4.528 -7.298 -10.304 347 1HG ARG 44 2HG ARG 44 -6.703 -8.538 -11.399 348 2HG ARG 44 1HG ARG 44 -6.873 -6.915 -12.067 349 1HD ARG 44 2HD ARG 44 -4.115 -7.929 -12.146 350 2HD ARG 44 1HD ARG 44 -5.247 -8.884 -13.103 351 HE ARG 44 HE ARG 44 -5.555 -6.030 -13.560 352 1HH1 ARG 44 1HH1 ARG 44 -3.741 -8.880 -14.361 353 2HH1 ARG 44 2HH1 ARG 44 -3.268 -8.285 -15.914 354 1HH2 ARG 44 1HH2 ARG 44 -4.932 -5.266 -15.582 355 2HH2 ARG 44 2HH2 ARG 44 -3.937 -6.250 -16.603 356 H THR 45 HN THR 45 -5.030 -6.110 -7.483 357 HA THR 45 HA THR 45 -3.083 -8.076 -6.611 358 HB THR 45 HB THR 45 -3.891 -5.623 -5.037 359 HG1 THR 45 HG1 THR 45 -2.538 -5.846 -7.482 360 1HG2 THR 45 1HG2 THR 45 -1.736 -5.748 -4.131 361 2HG2 THR 45 2HG2 THR 45 -1.118 -6.702 -5.481 362 3HG2 THR 45 3HG2 THR 45 -2.179 -7.448 -4.284 363 H TYR 46 HN TYR 46 -6.091 -6.762 -5.238 364 HA TYR 46 HA TYR 46 -6.101 -8.196 -2.789 365 1HB TYR 46 2HB TYR 46 -7.773 -6.458 -3.291 366 2HB TYR 46 1HB TYR 46 -8.470 -7.479 -4.549 367 HD1 TYR 46 HD1 TYR 46 -9.936 -9.298 -4.015 368 HD2 TYR 46 HD2 TYR 46 -7.885 -7.187 -0.888 369 HE1 TYR 46 HE1 TYR 46 -11.339 -10.442 -2.320 370 HE2 TYR 46 HE2 TYR 46 -9.288 -8.327 0.806 371 HH TYR 46 HH TYR 46 -11.845 -10.619 -0.157 372 H GLU 47 HN GLU 47 -7.190 -9.170 -6.030 373 HA GLU 47 HA GLU 47 -8.109 -11.789 -5.193 374 1HB GLU 47 2HB GLU 47 -7.489 -10.500 -7.845 375 2HB GLU 47 1HB GLU 47 -7.818 -12.231 -7.751 376 1HG GLU 47 HG2 GLU 47 -9.918 -11.535 -6.386 377 2HG GLU 47 HG1 GLU 47 -9.642 -9.931 -7.066 378 H SER 48 HN SER 48 -5.021 -10.419 -5.684 379 HA SER 48 HA SER 48 -3.763 -13.071 -6.159 380 1HB SER 48 2HB SER 48 -1.846 -11.929 -6.875 381 2HB SER 48 1HB SER 48 -3.136 -10.862 -7.421 382 HG SER 48 HG SER 48 -2.830 -9.778 -5.330 383 H PHE 49 HN PHE 49 -4.336 -10.696 -3.698 384 HA PHE 49 HA PHE 49 -2.306 -10.950 -1.846 385 1HB PHE 49 2HB PHE 49 -5.206 -10.515 -1.711 386 2HB PHE 49 1HB PHE 49 -4.555 -11.260 -0.256 387 HD1 PHE 49 HD1 PHE 49 -4.242 -8.328 -2.523 388 HD2 PHE 49 HD2 PHE 49 -3.211 -10.033 1.279 389 HE1 PHE 49 HE1 PHE 49 -3.409 -6.122 -1.756 390 HE2 PHE 49 HE2 PHE 49 -2.375 -7.834 2.042 391 HZ PHE 49 HZ PHE 49 -2.471 -5.876 0.525 392 HA PRO 50 HA PRO 50 -2.177 -15.198 -0.505 393 1HB PRO 50 2HB PRO 50 -1.243 -14.695 2.093 394 2HB PRO 50 1HB PRO 50 -0.245 -14.879 0.643 395 1HG PRO 50 2HG PRO 50 -0.662 -12.521 2.191 396 2HG PRO 50 1HG PRO 50 0.297 -12.700 0.715 397 1HD PRO 50 2HD PRO 50 -2.381 -11.557 1.055 398 2HD PRO 50 1HD PRO 50 -1.250 -11.379 -0.295 399 H LYS 51 HN LYS 51 -3.172 -13.211 2.324 400 HA LYS 51 HA LYS 51 -5.445 -15.127 2.695 401 1HB LYS 51 2HB LYS 51 -3.769 -13.685 4.766 402 2HB LYS 51 1HB LYS 51 -5.247 -14.572 5.142 403 1HG LYS 51 2HG LYS 51 -3.881 -16.419 3.650 404 2HG LYS 51 1HG LYS 51 -2.559 -15.592 4.474 405 1HD LYS 51 2HD LYS 51 -3.027 -16.956 6.223 406 2HD LYS 51 1HD LYS 51 -4.413 -15.901 6.497 407 1HE LYS 51 2HE LYS 51 -5.713 -17.719 6.182 408 2HE LYS 51 1HE LYS 51 -5.269 -17.630 4.478 409 1HZ LYS 51 1HE LYS 51 -3.419 -18.934 6.341 410 2HZ LYS 51 2HE LYS 51 -3.707 -19.256 4.698 411 3HZ LYS 51 3HE LYS 51 -4.816 -19.776 5.876 412 H ARG 52 HN ARG 52 -7.208 -14.009 1.939 413 HA ARG 52 HA ARG 52 -7.600 -11.235 3.000 414 1HB ARG 52 2HB ARG 52 -8.902 -12.219 0.466 415 2HB ARG 52 1HB ARG 52 -8.607 -10.559 0.982 416 1HG ARG 52 2HG ARG 52 -6.799 -10.655 -0.382 417 2HG ARG 52 1HG ARG 52 -6.059 -11.599 0.912 418 1HD ARG 52 2HD ARG 52 -5.845 -12.809 -1.202 419 2HD ARG 52 1HD ARG 52 -6.951 -13.677 -0.136 420 HE ARG 52 HE ARG 52 -8.518 -11.932 -1.718 421 1HH1 ARG 52 1HH1 ARG 52 -6.421 -14.673 -2.078 422 2HH1 ARG 52 2HH1 ARG 52 -7.239 -15.262 -3.485 423 1HH2 ARG 52 1HH2 ARG 52 -9.574 -12.706 -3.546 424 2HH2 ARG 52 2HH2 ARG 52 -9.015 -14.155 -4.313 425 HA PRO 53 HA PRO 53 -8.924 -9.844 3.377 426 1HB PRO 53 2HB PRO 53 -10.590 -8.940 5.396 427 2HB PRO 53 1HB PRO 53 -10.967 -8.860 3.669 428 1HG PRO 53 2HG PRO 53 -12.231 -10.461 5.696 429 2HG PRO 53 1HG PRO 53 -12.651 -10.319 3.983 430 1HD PRO 53 2HD PRO 53 -11.151 -12.442 5.350 431 2HD PRO 53 1HD PRO 53 -11.919 -12.460 3.752 432 H LEU 54 HN LEU 54 -8.141 -8.491 5.368 433 HA LEU 54 HA LEU 54 -6.522 -10.248 7.038 434 1HB LEU 54 2HB LEU 54 -6.885 -7.239 7.019 435 2HB LEU 54 1HB LEU 54 -5.742 -8.083 8.064 436 HG LEU 54 HG LEU 54 -5.722 -8.598 5.102 437 1HD1 LEU 54 1HD1 LEU 54 -5.125 -6.064 6.400 438 2HD1 LEU 54 2HD1 LEU 54 -5.155 -6.458 4.681 439 3HD1 LEU 54 3HD1 LEU 54 -3.690 -6.733 5.622 440 1HD2 LEU 54 1HD2 LEU 54 -4.266 -9.513 7.335 441 2HD2 LEU 54 2HD2 LEU 54 -3.179 -8.413 6.488 442 3HD2 LEU 54 3HD2 LEU 54 -3.881 -9.788 5.636 443 HA PRO 55 HA PRO 55 -9.225 -10.580 10.531 444 1HB PRO 55 2HB PRO 55 -7.194 -10.906 12.453 445 2HB PRO 55 1HB PRO 55 -7.988 -12.187 11.529 446 1HG PRO 55 2HG PRO 55 -5.288 -11.266 11.317 447 2HG PRO 55 1HG PRO 55 -6.079 -12.564 10.414 448 1HD PRO 55 2HD PRO 55 -5.405 -9.879 9.528 449 2HD PRO 55 1HD PRO 55 -5.976 -11.257 8.575 450 H GLU 56 HN GLU 56 -10.151 -9.185 11.980 451 HA GLU 56 HA GLU 56 -10.535 -7.141 13.081 452 1HB GLU 56 2HB GLU 56 -7.778 -7.982 13.968 453 2HB GLU 56 1HB GLU 56 -8.531 -6.516 14.596 454 1HG GLU 56 HG2 GLU 56 -9.979 -7.681 15.895 455 2HG GLU 56 HG1 GLU 56 -10.325 -8.844 14.615 456 H ARG 57 HN ARG 57 -9.667 -6.820 10.362 457 HA ARG 57 HA ARG 57 -8.421 -4.129 10.616 458 1HB ARG 57 2HB ARG 57 -7.313 -6.479 9.174 459 2HB ARG 57 1HB ARG 57 -7.248 -4.938 8.319 460 1HG ARG 57 2HG ARG 57 -5.458 -4.361 9.555 461 2HG ARG 57 1HG ARG 57 -6.474 -4.403 10.995 462 1HD ARG 57 2HD ARG 57 -5.879 -7.101 10.331 463 2HD ARG 57 1HD ARG 57 -4.366 -6.203 10.244 464 HE ARG 57 HE ARG 57 -5.460 -5.333 12.616 465 1HH1 ARG 57 1HH2 ARG 57 -4.834 -8.452 11.222 466 2HH1 ARG 57 2HH2 ARG 57 -4.569 -9.211 12.754 467 1HH2 ARG 57 1HH1 ARG 57 -5.116 -6.334 14.599 468 2HH2 ARG 57 2HH1 ARG 57 -4.728 -8.021 14.655 469 H THR 58 HN THR 58 -9.363 -2.635 9.278 470 HA THR 58 HA THR 58 -11.676 -3.501 7.688 471 HB THR 58 HB THR 58 -10.542 -0.702 7.916 472 HG1 THR 58 HG1 THR 58 -11.113 -0.795 9.916 473 1HG2 THR 58 1HG2 THR 58 -12.436 -0.040 6.869 474 2HG2 THR 58 2HG2 THR 58 -13.441 -1.146 7.805 475 3HG2 THR 58 3HG2 THR 58 -12.589 -1.726 6.374 476 H ASN 59 HN ASN 59 -11.510 -4.012 5.570 477 HA ASN 59 HA ASN 59 -9.275 -2.786 4.006 478 1HB ASN 59 2HB ASN 59 -10.360 -5.613 3.836 479 2HB ASN 59 1HB ASN 59 -9.149 -4.931 2.749 480 1HD2 ASN 59 1HD2 ASN 59 -9.739 -5.713 6.196 481 2HD2 ASN 59 2HD2 ASN 59 -8.098 -5.831 6.612 482 H VAL 60 HN VAL 60 -9.803 -2.055 1.954 483 HA VAL 60 HA VAL 60 -12.654 -2.390 1.108 484 HB VAL 60 HB VAL 60 -10.869 0.041 0.739 485 1HG1 VAL 60 1HG1 VAL 60 -13.425 0.853 0.256 486 2HG1 VAL 60 2HG1 VAL 60 -13.487 -0.799 -0.359 487 3HG1 VAL 60 3HG1 VAL 60 -12.306 0.339 -1.006 488 1HG2 VAL 60 1HG2 VAL 60 -11.722 0.887 2.658 489 2HG2 VAL 60 2HG2 VAL 60 -12.221 -0.761 3.033 490 3HG2 VAL 60 3HG2 VAL 60 -13.353 0.350 2.263 491 H VAL 61 HN VAL 61 -12.904 -3.102 -1.007 492 HA VAL 61 HA VAL 61 -10.395 -3.484 -2.560 493 HB VAL 61 HB VAL 61 -13.118 -4.696 -3.102 494 1HG1 VAL 61 1HG1 VAL 61 -11.777 -6.348 -4.354 495 2HG1 VAL 61 2HG1 VAL 61 -10.304 -5.477 -3.926 496 3HG1 VAL 61 3HG1 VAL 61 -11.504 -4.718 -4.971 497 1HG2 VAL 61 1HG2 VAL 61 -10.814 -6.019 -1.651 498 2HG2 VAL 61 2HG2 VAL 61 -12.464 -6.615 -1.832 499 3HG2 VAL 61 3HG2 VAL 61 -12.137 -5.226 -0.796 500 H LEU 62 HN LEU 62 -10.335 -2.864 -4.782 501 HA LEU 62 HA LEU 62 -12.394 -0.838 -5.552 502 1HB LEU 62 2HB LEU 62 -9.754 -0.324 -5.096 503 2HB LEU 62 1HB LEU 62 -9.704 -0.725 -6.810 504 HG LEU 62 HG LEU 62 -11.350 0.991 -7.317 505 1HD1 LEU 62 1HD1 LEU 62 -12.882 1.438 -5.711 506 2HD1 LEU 62 2HD1 LEU 62 -11.658 2.480 -4.982 507 3HD1 LEU 62 3HD1 LEU 62 -11.834 0.810 -4.436 508 1HD2 LEU 62 1HD2 LEU 62 -9.310 2.072 -7.382 509 2HD2 LEU 62 2HD2 LEU 62 -8.929 1.672 -5.708 510 3HD2 LEU 62 3HD2 LEU 62 -10.051 2.983 -6.067 511 H THR 63 HN THR 63 -13.597 -1.555 -7.272 512 HA THR 63 HA THR 63 -12.211 -3.099 -9.400 513 HB THR 63 HB THR 63 -13.139 -4.800 -7.889 514 HG1 THR 63 HG1 THR 63 -13.266 -5.272 -10.065 515 1HG2 THR 63 1HG2 THR 63 -15.230 -4.705 -6.980 516 2HG2 THR 63 2HG2 THR 63 -15.939 -4.007 -8.442 517 3HG2 THR 63 3HG2 THR 63 -15.060 -2.974 -7.304 518 H HIS 64 HN HIS 64 -13.510 -3.228 -11.388 519 HA HIS 64 HA HIS 64 -15.163 -0.791 -11.723 520 1HB HIS 64 2HB HIS 64 -13.526 -2.524 -13.487 521 2HB HIS 64 1HB HIS 64 -14.985 -1.856 -14.217 522 HD1 HIS 64 HD1 HIS 64 -15.242 0.839 -13.980 523 HD2 HIS 64 HD2 HIS 64 -11.432 -0.709 -13.296 524 HE1 HIS 64 HE1 HIS 64 -13.636 2.790 -14.146 525 H GLN 65 HN GLN 65 -15.839 -3.841 -10.768 526 HA GLN 65 HA GLN 65 -18.072 -4.405 -12.585 527 1HB GLN 65 2HB GLN 65 -16.920 -5.715 -10.134 528 2HB GLN 65 1HB GLN 65 -18.532 -6.166 -10.693 529 1HG GLN 65 2HG GLN 65 -16.954 -7.672 -11.731 530 2HG GLN 65 1HG GLN 65 -17.536 -6.568 -12.978 531 1HE2 GLN 65 1HE2 GLN 65 -14.755 -7.253 -10.850 532 2HE2 GLN 65 2HE2 GLN 65 -13.635 -6.347 -11.747 533 H GLU 66 HN GLU 66 -20.242 -4.971 -11.291 534 HA GLU 66 HA GLU 66 -20.809 -2.627 -9.518 535 1HB GLU 66 2HB GLU 66 -22.030 -3.441 -11.998 536 2HB GLU 66 1HB GLU 66 -23.225 -3.526 -10.704 537 1HG GLU 66 HG2 GLU 66 -21.437 -1.120 -10.914 538 2HG GLU 66 HG1 GLU 66 -22.849 -1.252 -11.962 539 H ASP 67 HN ASP 67 -21.053 -6.071 -9.939 540 HA ASP 67 HA ASP 67 -22.776 -6.218 -7.502 541 1HB ASP 67 2HB ASP 67 -23.210 -7.414 -9.913 542 2HB ASP 67 1HB ASP 67 -22.323 -8.685 -9.070 543 H TYR 68 HN TYR 68 -19.872 -5.772 -7.410 544 HA TYR 68 HA TYR 68 -18.434 -8.179 -6.879 545 1HB TYR 68 2HB TYR 68 -17.617 -5.680 -7.024 546 2HB TYR 68 1HB TYR 68 -17.922 -5.681 -5.287 547 HD1 TYR 68 HD1 TYR 68 -16.014 -7.333 -8.011 548 HD2 TYR 68 HD2 TYR 68 -16.486 -6.860 -3.769 549 HE1 TYR 68 HE1 TYR 68 -13.868 -8.517 -7.640 550 HE2 TYR 68 HE2 TYR 68 -14.339 -8.043 -3.398 551 HH TYR 68 HH TYR 68 -12.223 -8.466 -4.722 552 H GLN 69 HN GLN 69 -18.883 -9.672 -5.328 553 HA GLN 69 HA GLN 69 -20.412 -8.780 -2.928 554 1HB GLN 69 2HB GLN 69 -20.165 -11.394 -4.388 555 2HB GLN 69 1HB GLN 69 -20.628 -11.388 -2.686 556 1HG GLN 69 2HG GLN 69 -22.017 -9.600 -4.678 557 2HG GLN 69 1HG GLN 69 -22.525 -11.274 -4.450 558 1HE2 GLN 69 1HE2 GLN 69 -23.090 -8.150 -3.332 559 2HE2 GLN 69 2HE2 GLN 69 -23.760 -8.531 -1.820 560 H ALA 70 HN ALA 70 -19.071 -8.324 -1.254 561 HA ALA 70 HA ALA 70 -16.960 -10.317 -0.589 562 1HB ALA 70 1HB ALA 70 -15.286 -8.678 -0.289 563 2HB ALA 70 2HB ALA 70 -16.456 -7.358 -0.286 564 3HB ALA 70 3HB ALA 70 -16.074 -8.194 -1.792 565 H GLN 71 HN GLN 71 -18.579 -10.982 1.009 566 HA GLN 71 HA GLN 71 -19.591 -9.164 2.999 567 1HB GLN 71 2HB GLN 71 -19.466 -12.128 2.660 568 2HB GLN 71 1HB GLN 71 -19.767 -11.503 4.282 569 1HG GLN 71 2HG GLN 71 -21.339 -10.185 2.161 570 2HG GLN 71 1HG GLN 71 -21.714 -11.893 2.391 571 1HE2 GLN 71 1HE2 GLN 71 -21.108 -8.976 4.445 572 2HE2 GLN 71 2HE2 GLN 71 -22.320 -9.345 5.574 573 H GLY 72 HN GLY 72 -18.476 -8.257 4.643 574 1HA GLY 72 2HA GLY 72 -17.086 -8.597 6.654 575 2HA GLY 72 1HA GLY 72 -16.113 -9.733 5.719 576 H ALA 73 HN ALA 73 -15.911 -8.091 3.322 577 HA ALA 73 HA ALA 73 -14.104 -5.979 4.410 578 1HB ALA 73 1HB ALA 73 -12.573 -7.087 3.168 579 2HB ALA 73 2HB ALA 73 -13.372 -6.374 1.767 580 3HB ALA 73 3HB ALA 73 -13.813 -7.995 2.304 581 H VAL 74 HN VAL 74 -14.243 -3.936 3.610 582 HA VAL 74 HA VAL 74 -16.718 -2.969 2.553 583 HB VAL 74 HB VAL 74 -14.019 -1.614 2.318 584 1HG1 VAL 74 1HG1 VAL 74 -16.872 -0.777 2.055 585 2HG1 VAL 74 2HG1 VAL 74 -15.452 -0.217 1.171 586 3HG1 VAL 74 3HG1 VAL 74 -15.755 0.361 2.810 587 1HG2 VAL 74 1HG2 VAL 74 -14.286 -2.286 4.621 588 2HG2 VAL 74 2HG2 VAL 74 -15.972 -1.768 4.630 589 3HG2 VAL 74 3HG2 VAL 74 -14.681 -0.571 4.527 590 H VAL 75 HN VAL 75 -16.987 -1.885 0.347 591 HA VAL 75 HA VAL 75 -15.172 -2.871 -1.757 592 HB VAL 75 HB VAL 75 -18.125 -3.581 -1.677 593 1HG1 VAL 75 1HG1 VAL 75 -16.906 -4.978 -3.744 594 2HG1 VAL 75 2HG1 VAL 75 -16.171 -3.379 -3.851 595 3HG1 VAL 75 3HG1 VAL 75 -17.924 -3.551 -3.931 596 1HG2 VAL 75 1HG2 VAL 75 -17.035 -5.149 -0.294 597 2HG2 VAL 75 2HG2 VAL 75 -15.577 -5.144 -1.286 598 3HG2 VAL 75 3HG2 VAL 75 -17.038 -5.940 -1.871 599 H VAL 76 HN VAL 76 -15.018 -1.297 -3.330 600 HA VAL 76 HA VAL 76 -17.305 0.545 -3.742 601 HB VAL 76 HB VAL 76 -15.748 2.512 -3.635 602 1HG1 VAL 76 1HG1 VAL 76 -16.091 0.821 -1.142 603 2HG1 VAL 76 2HG1 VAL 76 -17.187 2.069 -1.738 604 3HG1 VAL 76 3HG1 VAL 76 -15.594 2.514 -1.123 605 1HG2 VAL 76 1HG2 VAL 76 -13.744 1.453 -1.940 606 2HG2 VAL 76 2HG2 VAL 76 -13.534 2.095 -3.568 607 3HG2 VAL 76 3HG2 VAL 76 -13.827 0.371 -3.331 608 H HIS 77 HN HIS 77 -16.967 1.896 -5.728 609 HA HIS 77 HA HIS 77 -14.966 0.758 -7.620 610 1HB HIS 77 2HB HIS 77 -17.771 1.297 -8.565 611 2HB HIS 77 1HB HIS 77 -16.546 0.243 -9.269 612 HD1 HIS 77 HD1 HIS 77 -16.606 -2.177 -8.608 613 HD2 HIS 77 HD2 HIS 77 -18.927 0.188 -6.080 614 HE1 HIS 77 HE1 HIS 77 -17.837 -3.766 -7.071 615 H ASP 78 HN ASP 78 -15.249 3.340 -6.140 616 HA ASP 78 HA ASP 78 -14.685 5.096 -8.376 617 1HB ASP 78 2HB ASP 78 -17.397 5.012 -7.275 618 2HB ASP 78 1HB ASP 78 -16.686 6.624 -7.199 619 H VAL 79 HN VAL 79 -12.910 6.018 -7.489 620 HA VAL 79 HA VAL 79 -12.083 6.262 -4.895 621 HB VAL 79 HB VAL 79 -11.822 8.377 -7.053 622 1HG1 VAL 79 1HG1 VAL 79 -10.174 7.937 -4.542 623 2HG1 VAL 79 2HG1 VAL 79 -11.326 9.261 -4.785 624 3HG1 VAL 79 3HG1 VAL 79 -9.868 9.158 -5.789 625 1HG2 VAL 79 1HG2 VAL 79 -10.896 6.312 -7.826 626 2HG2 VAL 79 2HG2 VAL 79 -10.187 5.960 -6.250 627 3HG2 VAL 79 3HG2 VAL 79 -9.527 7.259 -7.243 628 H ALA 80 HN ALA 80 -14.540 8.287 -6.430 629 HA ALA 80 HA ALA 80 -14.726 10.337 -4.481 630 1HB ALA 80 1HB ALA 80 -16.219 9.482 -6.740 631 2HB ALA 80 2HB ALA 80 -16.375 11.003 -5.861 632 3HB ALA 80 3HB ALA 80 -17.358 9.613 -5.400 633 H ALA 81 HN ALA 81 -16.294 7.136 -4.589 634 HA ALA 81 HA ALA 81 -17.809 7.487 -2.175 635 1HB ALA 81 1HB ALA 81 -18.632 5.681 -3.328 636 2HB ALA 81 2HB ALA 81 -17.514 4.811 -2.279 637 3HB ALA 81 3HB ALA 81 -17.043 5.209 -3.931 638 H VAL 82 HN VAL 82 -14.644 5.911 -2.798 639 HA VAL 82 HA VAL 82 -14.123 5.013 -0.182 640 HB VAL 82 HB VAL 82 -12.085 6.203 -2.087 641 1HG1 VAL 82 1HG1 VAL 82 -11.972 4.646 0.439 642 2HG1 VAL 82 2HG1 VAL 82 -10.801 5.777 -0.240 643 3HG1 VAL 82 3HG1 VAL 82 -10.876 4.120 -0.839 644 1HG2 VAL 82 1HG2 VAL 82 -12.176 4.302 -3.349 645 2HG2 VAL 82 2HG2 VAL 82 -13.815 4.188 -2.710 646 3HG2 VAL 82 3HG2 VAL 82 -12.511 3.274 -1.956 647 H PHE 83 HN PHE 83 -13.509 8.239 -1.575 648 HA PHE 83 HA PHE 83 -12.181 9.351 0.677 649 1HB PHE 83 2HB PHE 83 -13.747 10.470 -1.618 650 2HB PHE 83 1HB PHE 83 -13.329 11.540 -0.278 651 HD1 PHE 83 HD1 PHE 83 -12.247 10.502 -3.393 652 HD2 PHE 83 HD2 PHE 83 -10.766 11.051 0.600 653 HE1 PHE 83 HE1 PHE 83 -9.941 10.717 -4.277 654 HE2 PHE 83 HE2 PHE 83 -8.459 11.265 -0.285 655 HZ PHE 83 HZ PHE 83 -8.047 11.096 -2.724 656 H ALA 84 HN ALA 84 -15.646 9.067 -0.061 657 HA ALA 84 HA ALA 84 -16.657 10.682 2.035 658 1HB ALA 84 1HB ALA 84 -18.658 9.922 1.308 659 2HB ALA 84 2HB ALA 84 -18.219 8.242 1.616 660 3HB ALA 84 3HB ALA 84 -17.751 9.013 0.099 661 H TYR 85 HN TYR 85 -16.294 7.112 2.095 662 HA TYR 85 HA TYR 85 -16.923 6.569 4.719 663 1HB TYR 85 2HB TYR 85 -16.016 5.019 2.823 664 2HB TYR 85 1HB TYR 85 -14.442 5.334 3.554 665 HD1 TYR 85 HD1 TYR 85 -17.930 4.312 4.479 666 HD2 TYR 85 HD2 TYR 85 -13.737 4.038 5.367 667 HE1 TYR 85 HE1 TYR 85 -18.413 2.638 6.244 668 HE2 TYR 85 HE2 TYR 85 -14.219 2.365 7.132 669 HH TYR 85 HH TYR 85 -16.327 0.604 7.466 670 H ALA 86 HN ALA 86 -13.572 7.351 3.675 671 HA ALA 86 HA ALA 86 -12.415 7.454 6.242 672 1HB ALA 86 1HB ALA 86 -11.555 9.497 4.246 673 2HB ALA 86 2HB ALA 86 -11.437 7.802 3.774 674 3HB ALA 86 3HB ALA 86 -10.580 8.381 5.203 675 H LYS 87 HN LYS 87 -13.963 10.092 4.407 676 HA LYS 87 HA LYS 87 -13.570 12.117 6.391 677 1HB LYS 87 2HB LYS 87 -15.093 11.786 3.913 678 2HB LYS 87 1HB LYS 87 -15.952 12.767 5.100 679 1HG LYS 87 2HG LYS 87 -13.122 13.463 4.980 680 2HG LYS 87 1HG LYS 87 -13.903 13.637 3.409 681 1HD LYS 87 2HD LYS 87 -15.778 14.717 5.133 682 2HD LYS 87 1HD LYS 87 -14.251 15.230 5.851 683 1HE LYS 87 2HE LYS 87 -14.475 15.488 2.897 684 2HE LYS 87 1HE LYS 87 -15.450 16.598 3.860 685 1HZ LYS 87 1HE LYS 87 -13.341 17.597 3.496 686 2HZ LYS 87 2HE LYS 87 -12.514 16.202 4.002 687 3HZ LYS 87 3HE LYS 87 -13.396 17.124 5.123 688 H GLN 88 HN GLN 88 -15.880 9.516 6.107 689 HA GLN 88 HA GLN 88 -17.671 10.684 8.126 690 1HB GLN 88 2HB GLN 88 -17.834 8.601 6.132 691 2HB GLN 88 1HB GLN 88 -18.362 7.982 7.697 692 1HG GLN 88 2HG GLN 88 -20.210 9.311 7.743 693 2HG GLN 88 1HG GLN 88 -19.358 10.686 7.040 694 1HE2 GLN 88 1HE2 GLN 88 -19.111 10.714 4.649 695 2HE2 GLN 88 2HE2 GLN 88 -20.168 9.810 3.674 696 H HIS 89 HN HIS 89 -15.065 8.271 8.049 697 HA HIS 89 HA HIS 89 -15.789 7.318 10.738 698 1HB HIS 89 2HB HIS 89 -13.889 6.526 8.599 699 2HB HIS 89 1HB HIS 89 -13.384 6.185 10.254 700 HD1 HIS 89 HD1 HIS 89 -14.096 3.921 10.980 701 HD2 HIS 89 HD2 HIS 89 -16.856 5.608 8.351 702 HE1 HIS 89 HE1 HIS 89 -15.950 2.219 10.699 703 HA PRO 90 HA PRO 90 -13.062 10.469 12.528 704 1HB PRO 90 2HB PRO 90 -14.146 10.156 15.062 705 2HB PRO 90 1HB PRO 90 -14.758 11.266 13.827 706 1HG PRO 90 2HG PRO 90 -15.999 8.885 14.871 707 2HG PRO 90 1HG PRO 90 -16.653 10.060 13.721 708 1HD PRO 90 2HD PRO 90 -15.524 7.417 13.199 709 2HD PRO 90 1HD PRO 90 -16.451 8.472 12.118 710 H ASP 91 HN ASP 91 -13.063 7.183 12.768 711 HA ASP 91 HA ASP 91 -10.707 7.209 14.598 712 1HB ASP 91 2HB ASP 91 -13.253 5.796 14.976 713 2HB ASP 91 1HB ASP 91 -11.854 4.725 15.047 714 H GLN 92 HN GLN 92 -11.582 6.812 11.572 715 HA GLN 92 HA GLN 92 -9.514 4.772 11.038 716 1HB GLN 92 2HB GLN 92 -11.897 3.720 11.158 717 2HB GLN 92 1HB GLN 92 -12.179 4.566 9.636 718 1HG GLN 92 2HG GLN 92 -10.714 3.241 8.469 719 2HG GLN 92 1HG GLN 92 -9.662 2.996 9.858 720 1HE2 GLN 92 1HE2 GLN 92 -12.628 1.858 8.281 721 2HE2 GLN 92 2HE2 GLN 92 -12.774 0.434 9.193 722 H GLU 93 HN GLU 93 -8.170 5.986 9.688 723 HA GLU 93 HA GLU 93 -9.373 8.074 8.011 724 1HB GLU 93 2HB GLU 93 -6.537 7.217 8.607 725 2HB GLU 93 1HB GLU 93 -6.912 8.442 7.397 726 1HG GLU 93 HG2 GLU 93 -7.451 10.004 8.958 727 2HG GLU 93 HG1 GLU 93 -8.268 8.829 9.990 728 H LEU 94 HN LEU 94 -7.777 8.088 5.821 729 HA LEU 94 HA LEU 94 -8.657 5.640 4.368 730 1HB LEU 94 2HB LEU 94 -9.241 8.093 3.641 731 2HB LEU 94 1HB LEU 94 -7.589 8.114 3.031 732 HG LEU 94 HG LEU 94 -8.153 5.931 1.826 733 1HD1 LEU 94 1HD1 LEU 94 -10.235 5.052 1.959 734 2HD1 LEU 94 2HD1 LEU 94 -10.998 6.628 1.749 735 3HD1 LEU 94 3HD1 LEU 94 -10.468 6.111 3.348 736 1HD2 LEU 94 1HD2 LEU 94 -9.241 7.118 -0.032 737 2HD2 LEU 94 2HD2 LEU 94 -8.004 8.140 0.698 738 3HD2 LEU 94 3HD2 LEU 94 -9.707 8.424 1.058 739 H VAL 95 HN VAL 95 -7.072 4.138 4.054 740 HA VAL 95 HA VAL 95 -4.274 5.148 3.725 741 HB VAL 95 HB VAL 95 -5.153 2.541 5.012 742 1HG1 VAL 95 1HG1 VAL 95 -2.424 3.749 4.489 743 2HG1 VAL 95 2HG1 VAL 95 -3.056 2.238 3.834 744 3HG1 VAL 95 3HG1 VAL 95 -2.704 2.373 5.557 745 1HG2 VAL 95 1HG2 VAL 95 -5.544 4.245 6.604 746 2HG2 VAL 95 2HG2 VAL 95 -4.139 5.174 6.078 747 3HG2 VAL 95 3HG2 VAL 95 -3.918 3.679 6.987 748 H ILE 96 HN ILE 96 -3.354 4.600 1.831 749 HA ILE 96 HA ILE 96 -4.862 2.864 -0.012 750 HB ILE 96 HB ILE 96 -2.281 4.354 -0.526 751 1HG1 ILE 96 2HG1 ILE 96 -4.022 5.897 0.339 752 2HG1 ILE 96 1HG1 ILE 96 -3.687 6.194 -1.364 753 1HG2 ILE 96 1HG2 ILE 96 -3.440 4.372 -2.872 754 2HG2 ILE 96 2HG2 ILE 96 -4.388 3.035 -2.217 755 3HG2 ILE 96 3HG2 ILE 96 -2.631 2.903 -2.325 756 1HD1 ILE 96 1HD1 ILE 96 -6.080 6.200 -1.097 757 2HD1 ILE 96 2HD1 ILE 96 -6.035 4.684 -0.195 758 3HD1 ILE 96 3HD1 ILE 96 -5.650 4.698 -1.917 759 H ALA 97 HN ALA 97 -3.946 1.030 -1.030 760 HA ALA 97 HA ALA 97 -1.431 -0.022 0.179 761 1HB ALA 97 1HB ALA 97 -2.412 -1.938 0.895 762 2HB ALA 97 2HB ALA 97 -3.397 -2.073 -0.563 763 3HB ALA 97 3HB ALA 97 -3.928 -1.042 0.768 764 H GLY 98 HN GLY 98 -2.939 1.006 -2.538 765 1HA GLY 98 2HA GLY 98 -1.924 0.958 -4.697 766 2HA GLY 98 1HA GLY 98 -1.088 -0.525 -4.249 767 H GLY 99 HN GLY 99 -3.425 -2.063 -6.461 768 1HA GLY 99 2HA GLY 99 -0.685 -1.714 -5.632 769 2HA GLY 99 1HA GLY 99 -1.212 -2.268 -7.211 770 H ALA 100 HN ALA 100 0.139 -1.016 -8.461 771 HA ALA 100 HA ALA 100 0.777 1.736 -8.001 772 1HB ALA 100 1HB ALA 100 0.674 0.692 -10.799 773 2HB ALA 100 2HB ALA 100 1.779 -0.093 -9.670 774 3HB ALA 100 3HB ALA 100 1.932 1.633 -9.998 775 H GLN 101 HN GLN 101 -1.816 0.177 -9.838 776 HA GLN 101 HA GLN 101 -2.816 2.449 -11.166 777 1HB GLN 101 2HB GLN 101 -4.463 0.177 -10.030 778 2HB GLN 101 1HB GLN 101 -4.840 1.184 -11.418 779 1HG GLN 101 2HG GLN 101 -2.295 0.147 -11.969 780 2HG GLN 101 1HG GLN 101 -3.207 -1.204 -11.300 781 1HE2 GLN 101 1HE2 GLN 101 -4.486 -2.304 -12.790 782 2HE2 GLN 101 2HE2 GLN 101 -5.046 -1.659 -14.257 783 H ILE 102 HN ILE 102 -3.551 1.223 -7.853 784 HA ILE 102 HA ILE 102 -5.505 3.315 -7.398 785 HB ILE 102 HB ILE 102 -4.068 1.647 -5.319 786 1HG1 ILE 102 2HG1 ILE 102 -4.956 0.127 -7.010 787 2HG1 ILE 102 1HG1 ILE 102 -5.995 0.064 -5.588 788 1HG2 ILE 102 1HG2 ILE 102 -6.926 2.579 -5.250 789 2HG2 ILE 102 2HG2 ILE 102 -5.630 3.680 -4.784 790 3HG2 ILE 102 3HG2 ILE 102 -5.861 2.167 -3.907 791 1HD1 ILE 102 1HD1 ILE 102 -7.275 2.012 -6.884 792 2HD1 ILE 102 2HD1 ILE 102 -7.611 0.315 -7.221 793 3HD1 ILE 102 3HD1 ILE 102 -6.542 1.231 -8.284 794 H PHE 103 HN PHE 103 -2.025 3.067 -6.990 795 HA PHE 103 HA PHE 103 -1.826 5.244 -5.084 796 1HB PHE 103 2HB PHE 103 0.150 3.907 -6.942 797 2HB PHE 103 1HB PHE 103 0.598 5.293 -5.951 798 HD1 PHE 103 HD1 PHE 103 1.176 2.033 -5.977 799 HD2 PHE 103 HD2 PHE 103 -0.870 4.847 -3.456 800 HE1 PHE 103 HE1 PHE 103 1.512 0.535 -4.030 801 HE2 PHE 103 HE2 PHE 103 -0.536 3.347 -1.511 802 HZ PHE 103 HZ PHE 103 0.656 1.192 -1.797 803 H THR 104 HN THR 104 -2.245 5.022 -8.519 804 HA THR 104 HA THR 104 -1.281 7.727 -9.074 805 HB THR 104 HB THR 104 -3.074 6.125 -10.891 806 HG1 THR 104 HG1 THR 104 -1.561 4.648 -10.426 807 1HG2 THR 104 1HG2 THR 104 -0.774 8.051 -11.321 808 2HG2 THR 104 2HG2 THR 104 -2.484 8.389 -11.591 809 3HG2 THR 104 3HG2 THR 104 -1.644 7.219 -12.610 810 H ALA 105 HN ALA 105 -4.515 6.156 -8.937 811 HA ALA 105 HA ALA 105 -5.993 8.539 -9.466 812 1HB ALA 105 1HB ALA 105 -7.886 7.299 -8.928 813 2HB ALA 105 2HB ALA 105 -7.073 6.431 -7.626 814 3HB ALA 105 3HB ALA 105 -6.741 6.012 -9.307 815 H PHE 106 HN PHE 106 -4.654 7.231 -6.468 816 HA PHE 106 HA PHE 106 -5.945 9.398 -4.908 817 1HB PHE 106 2HB PHE 106 -4.299 6.982 -4.133 818 2HB PHE 106 1HB PHE 106 -4.802 8.207 -2.969 819 HD1 PHE 106 HD1 PHE 106 -7.071 8.347 -2.201 820 HD2 PHE 106 HD2 PHE 106 -6.018 5.646 -5.365 821 HE1 PHE 106 HE1 PHE 106 -9.286 7.251 -2.007 822 HE2 PHE 106 HE2 PHE 106 -8.229 4.549 -5.170 823 HZ PHE 106 HZ PHE 106 -9.864 5.352 -3.490 824 H LYS 107 HN LYS 107 -3.131 9.011 -6.681 825 HA LYS 107 HA LYS 107 -1.064 10.012 -5.087 826 1HB LYS 107 2HB LYS 107 0.073 10.563 -7.070 827 2HB LYS 107 1HB LYS 107 -1.029 9.283 -7.571 828 1HG LYS 107 2HG LYS 107 -2.643 11.012 -8.350 829 2HG LYS 107 1HG LYS 107 -1.481 12.264 -7.913 830 1HD LYS 107 2HD LYS 107 0.051 10.554 -9.442 831 2HD LYS 107 1HD LYS 107 -1.515 10.481 -10.250 832 1HE LYS 107 2HE LYS 107 -0.235 12.307 -11.215 833 2HE LYS 107 1HE LYS 107 -1.559 12.988 -10.272 834 1HZ LYS 107 1HE LYS 107 0.705 12.588 -8.623 835 2HZ LYS 107 2HE LYS 107 -0.116 14.031 -8.981 836 3HZ LYS 107 3HE LYS 107 1.147 13.498 -9.985 837 H ASP 108 HN ASP 108 -3.629 11.922 -6.722 838 HA ASP 108 HA ASP 108 -2.526 14.480 -6.078 839 1HB ASP 108 2HB ASP 108 -4.554 13.720 -7.632 840 2HB ASP 108 1HB ASP 108 -5.487 14.103 -6.185 841 H ASP 109 HN ASP 109 -4.689 12.314 -4.281 842 HA ASP 109 HA ASP 109 -4.790 14.288 -2.058 843 1HB ASP 109 2HB ASP 109 -6.743 12.662 -3.141 844 2HB ASP 109 1HB ASP 109 -6.246 11.755 -1.712 845 H VAL 110 HN VAL 110 -2.619 13.959 -1.266 846 HA VAL 110 HA VAL 110 -2.197 11.272 -0.014 847 HB VAL 110 HB VAL 110 -0.023 13.215 -0.825 848 1HG1 VAL 110 1HG1 VAL 110 -0.016 10.283 -0.047 849 2HG1 VAL 110 2HG1 VAL 110 0.555 11.624 0.952 850 3HG1 VAL 110 3HG1 VAL 110 1.405 11.211 -0.542 851 1HG2 VAL 110 1HG2 VAL 110 -0.434 12.580 -2.953 852 2HG2 VAL 110 2HG2 VAL 110 -1.588 11.346 -2.443 853 3HG2 VAL 110 3HG2 VAL 110 0.137 10.980 -2.482 854 H ASP 111 HN ASP 111 -1.734 11.266 2.171 855 HA ASP 111 HA ASP 111 -1.305 13.913 3.488 856 1HB ASP 111 2HB ASP 111 -3.380 11.859 3.969 857 2HB ASP 111 1HB ASP 111 -2.578 12.458 5.422 858 H THR 112 HN THR 112 -0.793 10.407 3.553 859 HA THR 112 HA THR 112 1.688 10.875 5.126 860 HB THR 112 HB THR 112 -0.237 8.639 5.806 861 HG1 THR 112 HG1 THR 112 0.170 11.070 7.197 862 1HG2 THR 112 1HG2 THR 112 2.412 9.577 6.760 863 2HG2 THR 112 2HG2 THR 112 1.735 7.949 6.735 864 3HG2 THR 112 3HG2 THR 112 1.267 9.079 8.006 865 H LEU 113 HN LEU 113 3.352 9.809 4.154 866 HA LEU 113 HA LEU 113 2.655 7.639 2.217 867 1HB LEU 113 2HB LEU 113 5.148 9.361 2.342 868 2HB LEU 113 1HB LEU 113 4.770 8.174 1.095 869 HG LEU 113 HG LEU 113 2.771 10.330 1.660 870 1HD1 LEU 113 1HD1 LEU 113 3.914 11.837 0.089 871 2HD1 LEU 113 2HD1 LEU 113 5.247 10.690 -0.059 872 3HD1 LEU 113 3HD1 LEU 113 4.950 11.505 1.478 873 1HD2 LEU 113 1HD2 LEU 113 2.912 10.020 -1.022 874 2HD2 LEU 113 2HD2 LEU 113 1.926 8.979 0.005 875 3HD2 LEU 113 3HD2 LEU 113 3.524 8.445 -0.517 876 H LEU 114 HN LEU 114 3.386 5.598 2.620 877 HA LEU 114 HA LEU 114 5.552 5.264 4.653 878 1HB LEU 114 2HB LEU 114 3.208 3.387 4.211 879 2HB LEU 114 1HB LEU 114 4.430 3.278 5.479 880 HG LEU 114 HG LEU 114 2.861 5.816 5.259 881 1HD1 LEU 114 1HD1 LEU 114 1.282 3.781 5.112 882 2HD1 LEU 114 2HD1 LEU 114 0.968 4.954 6.391 883 3HD1 LEU 114 3HD1 LEU 114 1.780 3.435 6.768 884 1HD2 LEU 114 1HD2 LEU 114 3.371 5.998 7.546 885 2HD2 LEU 114 2HD2 LEU 114 4.804 5.201 6.897 886 3HD2 LEU 114 3HD2 LEU 114 3.573 4.257 7.736 887 H VAL 115 HN VAL 115 7.255 4.713 3.420 888 HA VAL 115 HA VAL 115 6.838 2.599 1.330 889 HB VAL 115 HB VAL 115 7.388 4.856 0.411 890 1HG1 VAL 115 1HG1 VAL 115 10.187 4.471 1.428 891 2HG1 VAL 115 2HG1 VAL 115 8.994 5.263 2.457 892 3HG1 VAL 115 3HG1 VAL 115 9.394 5.948 0.882 893 1HG2 VAL 115 1HG2 VAL 115 7.961 2.750 -0.782 894 2HG2 VAL 115 2HG2 VAL 115 9.536 2.749 0.014 895 3HG2 VAL 115 3HG2 VAL 115 9.120 4.037 -1.119 896 H THR 116 HN THR 116 8.196 0.868 1.282 897 HA THR 116 HA THR 116 10.284 0.719 3.420 898 HB THR 116 HB THR 116 9.204 -1.684 1.961 899 HG1 THR 116 HG1 THR 116 7.607 -1.824 3.582 900 1HG2 THR 116 1HG2 THR 116 10.092 -1.305 4.827 901 2HG2 THR 116 2HG2 THR 116 11.183 -1.775 3.524 902 3HG2 THR 116 3HG2 THR 116 9.844 -2.830 3.978 903 H ARG 117 HN ARG 117 12.284 1.081 2.539 904 HA ARG 117 HA ARG 117 12.731 0.374 -0.309 905 1HB ARG 117 2HB ARG 117 14.404 1.967 1.653 906 2HB ARG 117 1HB ARG 117 14.839 1.679 -0.033 907 1HG ARG 117 2HG ARG 117 12.511 2.666 -0.593 908 2HG ARG 117 1HG ARG 117 12.531 3.284 1.060 909 1HD ARG 117 2HD ARG 117 14.945 3.732 -0.644 910 2HD ARG 117 1HD ARG 117 13.518 4.723 -0.947 911 HE ARG 117 HE ARG 117 13.716 5.070 1.695 912 1HH1 ARG 117 1HH2 ARG 117 16.230 4.939 -0.707 913 2HH1 ARG 117 2HH2 ARG 117 17.301 5.950 0.198 914 1HH2 ARG 117 1HH1 ARG 117 15.118 6.393 2.846 915 2HH2 ARG 117 2HH1 ARG 117 16.678 6.770 2.194 916 H LEU 118 HN LEU 118 13.562 -1.608 -0.710 917 HA LEU 118 HA LEU 118 14.999 -3.086 1.389 918 1HB LEU 118 2HB LEU 118 14.093 -3.739 -1.415 919 2HB LEU 118 1HB LEU 118 15.205 -4.800 -0.555 920 HG LEU 118 HG LEU 118 13.525 -4.810 1.356 921 1HD1 LEU 118 1HD1 LEU 118 11.900 -3.242 1.172 922 2HD1 LEU 118 2HD1 LEU 118 11.152 -4.338 0.007 923 3HD1 LEU 118 3HD1 LEU 118 12.191 -3.027 -0.555 924 1HD2 LEU 118 1HD2 LEU 118 12.043 -5.938 -0.936 925 2HD2 LEU 118 2HD2 LEU 118 12.685 -6.744 0.496 926 3HD2 LEU 118 3HD2 LEU 118 13.745 -6.399 -0.871 927 H ALA 119 HN ALA 119 17.205 -3.836 1.120 928 HA ALA 119 HA ALA 119 18.900 -1.866 -0.234 929 1HB ALA 119 1HB ALA 119 19.250 -3.273 2.038 930 2HB ALA 119 2HB ALA 119 20.602 -2.663 1.083 931 3HB ALA 119 3HB ALA 119 20.089 -4.342 0.912 932 H GLY 120 HN GLY 120 17.723 -5.101 -0.861 933 1HA GLY 120 2HA GLY 120 19.730 -5.745 -2.865 934 2HA GLY 120 1HA GLY 120 18.215 -6.610 -2.604 935 H SER 121 HN SER 121 18.961 -6.193 -5.199 936 HA SER 121 HA SER 121 17.128 -3.999 -6.083 937 1HB SER 121 2HB SER 121 18.580 -3.992 -8.188 938 2HB SER 121 1HB SER 121 19.326 -3.333 -6.737 939 HG SER 121 HG SER 121 19.565 -6.045 -7.566 940 H PHE 122 HN PHE 122 15.315 -4.883 -6.971 941 HA PHE 122 HA PHE 122 15.582 -7.526 -8.338 942 1HB PHE 122 2HB PHE 122 13.108 -6.266 -7.117 943 2HB PHE 122 1HB PHE 122 13.226 -7.887 -7.804 944 HD1 PHE 122 HD1 PHE 122 14.313 -9.689 -6.612 945 HD2 PHE 122 HD2 PHE 122 14.293 -5.701 -5.019 946 HE1 PHE 122 HE1 PHE 122 15.123 -10.555 -4.433 947 HE2 PHE 122 HE2 PHE 122 15.102 -6.565 -2.840 948 HZ PHE 122 HZ PHE 122 15.518 -8.993 -2.547 949 H GLU 123 HN GLU 123 14.084 -7.820 -10.207 950 HA GLU 123 HA GLU 123 13.760 -5.245 -11.698 951 1HB GLU 123 2HB GLU 123 13.905 -6.664 -13.762 952 2HB GLU 123 1HB GLU 123 15.378 -6.686 -12.793 953 1HG GLU 123 HG2 GLU 123 14.682 -8.814 -11.765 954 2HG GLU 123 HG1 GLU 123 13.198 -8.793 -12.720 955 H GLY 124 HN GLY 124 11.877 -5.158 -13.168 956 1HA GLY 124 2HA GLY 124 9.763 -7.085 -13.117 957 2HA GLY 124 1HA GLY 124 9.430 -5.837 -11.915 958 H ASP 125 HN ASP 125 7.547 -5.194 -13.304 959 HA ASP 125 HA ASP 125 8.446 -3.351 -15.448 960 1HB ASP 125 2HB ASP 125 6.870 -5.765 -15.790 961 2HB ASP 125 1HB ASP 125 5.934 -4.345 -16.256 962 H THR 126 HN THR 126 6.466 -4.082 -12.739 963 HA THR 126 HA THR 126 4.862 -1.596 -13.154 964 HB THR 126 HB THR 126 4.282 -3.767 -11.129 965 HG1 THR 126 HG1 THR 126 3.305 -4.887 -12.631 966 1HG2 THR 126 1HG2 THR 126 2.725 -1.501 -12.385 967 2HG2 THR 126 2HG2 THR 126 3.091 -1.751 -10.677 968 3HG2 THR 126 3HG2 THR 126 1.943 -2.809 -11.497 969 H LYS 127 HN LYS 127 5.532 0.101 -11.957 970 HA LYS 127 HA LYS 127 6.902 -0.456 -9.357 971 1HB LYS 127 2HB LYS 127 7.636 1.625 -11.437 972 2HB LYS 127 1HB LYS 127 8.351 1.523 -9.828 973 1HG LYS 127 2HG LYS 127 9.521 -0.407 -10.317 974 2HG LYS 127 1HG LYS 127 8.337 -0.950 -11.505 975 1HD LYS 127 2HD LYS 127 9.285 0.265 -13.207 976 2HD LYS 127 1HD LYS 127 9.805 1.562 -12.131 977 1HE LYS 127 2HE LYS 127 11.589 0.108 -11.237 978 2HE LYS 127 1HE LYS 127 11.075 -1.186 -12.319 979 1HZ LYS 127 1HE LYS 127 11.479 0.374 -14.189 980 2HZ LYS 127 2HE LYS 127 12.883 -0.051 -13.331 981 3HZ LYS 127 3HE LYS 127 12.160 1.466 -13.085 982 H MET 128 HN MET 128 6.869 1.505 -7.902 983 HA MET 128 HA MET 128 4.182 2.446 -7.565 984 1HB MET 128 2HB MET 128 6.251 2.273 -5.894 985 2HB MET 128 1HB MET 128 6.469 3.957 -6.371 986 1HG MET 128 2HG MET 128 3.696 3.130 -5.693 987 2HG MET 128 1HG MET 128 4.837 3.213 -4.351 988 1HE MET 128 1HE MET 128 2.194 4.937 -4.744 989 2HE MET 128 2HE MET 128 2.739 6.496 -4.131 990 3HE MET 128 3HE MET 128 3.236 5.015 -3.316 991 H ILE 129 HN ILE 129 3.437 4.687 -7.701 992 HA ILE 129 HA ILE 129 4.237 5.970 -10.175 993 HB ILE 129 HB ILE 129 2.549 7.674 -9.531 994 1HG1 ILE 129 2HG1 ILE 129 1.907 6.110 -7.063 995 2HG1 ILE 129 1HG1 ILE 129 3.238 7.262 -6.988 996 1HG2 ILE 129 1HG2 ILE 129 0.619 6.176 -9.492 997 2HG2 ILE 129 2HG2 ILE 129 1.639 4.841 -8.951 998 3HG2 ILE 129 3HG2 ILE 129 1.856 5.519 -10.566 999 1HD1 ILE 129 1HD1 ILE 129 0.637 8.127 -8.205 1000 2HD1 ILE 129 2HD1 ILE 129 1.856 9.094 -7.375 1001 3HD1 ILE 129 3HD1 ILE 129 0.776 8.053 -6.448 1002 HA PRO 130 HA PRO 130 7.171 8.963 -8.750 1003 1HB PRO 130 2HB PRO 130 6.116 11.256 -10.047 1004 2HB PRO 130 1HB PRO 130 7.342 10.144 -10.668 1005 1HG PRO 130 2HG PRO 130 4.696 10.491 -11.615 1006 2HG PRO 130 1HG PRO 130 5.880 9.287 -12.141 1007 1HD PRO 130 2HD PRO 130 3.543 8.950 -10.413 1008 2HD PRO 130 1HD PRO 130 4.502 7.721 -11.252 1009 H LEU 131 HN LEU 131 6.878 9.336 -6.552 1010 HA LEU 131 HA LEU 131 4.661 11.064 -5.644 1011 1HB LEU 131 2HB LEU 131 6.725 9.343 -4.306 1012 2HB LEU 131 1HB LEU 131 5.935 10.616 -3.376 1013 HG LEU 131 HG LEU 131 4.360 8.620 -5.006 1014 1HD1 LEU 131 1HD1 LEU 131 5.429 8.413 -2.188 1015 2HD1 LEU 131 2HD1 LEU 131 5.528 7.222 -3.485 1016 3HD1 LEU 131 3HD1 LEU 131 3.984 7.540 -2.696 1017 1HD2 LEU 131 1HD2 LEU 131 2.683 9.287 -3.135 1018 2HD2 LEU 131 2HD2 LEU 131 3.009 10.463 -4.407 1019 3HD2 LEU 131 3HD2 LEU 131 3.783 10.631 -2.831 1020 H ASN 132 HN ASN 132 5.043 13.043 -4.480 1021 HA ASN 132 HA ASN 132 7.487 14.444 -5.399 1022 1HB ASN 132 2HB ASN 132 4.901 15.257 -5.364 1023 2HB ASN 132 1HB ASN 132 5.438 15.892 -3.809 1024 1HD2 ASN 132 1HD2 ASN 132 7.889 16.884 -4.119 1025 2HD2 ASN 132 2HD2 ASN 132 8.007 17.972 -5.417 1026 H TRP 133 HN TRP 133 8.605 12.933 -3.712 1027 HA TRP 133 HA TRP 133 8.337 13.190 -0.935 1028 1HB TRP 133 2HB TRP 133 10.976 13.032 -2.421 1029 2HB TRP 133 1HB TRP 133 10.666 12.513 -0.764 1030 HD1 TRP 133 HD1 TRP 133 10.328 11.426 -4.350 1031 HE1 TRP 133 HE1 TRP 133 9.387 9.028 -4.442 1032 HE3 TRP 133 HE3 TRP 133 9.025 10.803 0.547 1033 HZ2 TRP 133 HZ2 TRP 133 8.236 7.101 -2.672 1034 HZ3 TRP 133 HZ3 TRP 133 8.010 8.676 1.315 1035 HH2 TRP 133 HH2 TRP 133 7.614 6.827 -0.286 1036 H ASP 134 HN ASP 134 9.678 15.482 -3.220 1037 HA ASP 134 HA ASP 134 11.112 17.126 -1.366 1038 1HB ASP 134 2HB ASP 134 10.955 17.149 -4.021 1039 2HB ASP 134 1HB ASP 134 9.713 18.361 -3.704 1040 H ASP 135 HN ASP 135 7.697 16.867 -2.133 1041 HA ASP 135 HA ASP 135 7.063 19.353 -0.668 1042 1HB ASP 135 2HB ASP 135 5.746 17.681 -2.628 1043 2HB ASP 135 1HB ASP 135 4.691 17.927 -1.237 1044 H PHE 136 HN PHE 136 7.642 16.135 0.134 1045 HA PHE 136 HA PHE 136 5.932 16.373 2.583 1046 1HB PHE 136 2HB PHE 136 6.913 13.889 1.146 1047 2HB PHE 136 1HB PHE 136 6.068 13.876 2.691 1048 HD1 PHE 136 HD1 PHE 136 5.669 15.395 -0.725 1049 HD2 PHE 136 HD2 PHE 136 3.777 13.517 2.640 1050 HE1 PHE 136 HE1 PHE 136 3.500 15.441 -1.922 1051 HE2 PHE 136 HE2 PHE 136 1.605 13.564 1.444 1052 HZ PHE 136 HZ PHE 136 1.467 14.525 -0.838 1053 H THR 137 HN THR 137 6.928 15.189 4.504 1054 HA THR 137 HA THR 137 9.907 15.217 4.422 1055 HB THR 137 HB THR 137 8.386 16.338 6.776 1056 HG1 THR 137 HG1 THR 137 7.829 17.634 5.057 1057 1HG2 THR 137 1HG2 THR 137 10.936 17.526 6.241 1058 2HG2 THR 137 2HG2 THR 137 11.113 15.773 6.174 1059 3HG2 THR 137 3HG2 THR 137 10.457 16.538 7.621 1060 H LYS 138 HN LYS 138 10.751 13.412 5.407 1061 HA LYS 138 HA LYS 138 8.979 11.368 6.407 1062 1HB LYS 138 2HB LYS 138 11.182 10.947 5.276 1063 2HB LYS 138 1HB LYS 138 11.988 11.556 6.721 1064 1HG LYS 138 2HG LYS 138 9.933 9.481 7.204 1065 2HG LYS 138 1HG LYS 138 11.367 8.933 6.336 1066 1HD LYS 138 2HD LYS 138 11.518 10.543 8.893 1067 2HD LYS 138 1HD LYS 138 11.509 8.781 8.871 1068 1HE LYS 138 2HE LYS 138 13.568 8.660 7.731 1069 2HE LYS 138 1HE LYS 138 13.468 10.336 7.191 1070 1HZ LYS 138 1HE LYS 138 14.777 10.749 8.934 1071 2HZ LYS 138 2HE LYS 138 14.440 9.260 9.679 1072 3HZ LYS 138 3HE LYS 138 13.379 10.572 9.879 1073 H VAL 139 HN VAL 139 8.112 11.290 8.416 1074 HA VAL 139 HA VAL 139 9.326 12.945 10.560 1075 HB VAL 139 HB VAL 139 7.178 12.540 11.744 1076 1HG1 VAL 139 1HG1 VAL 139 7.592 14.364 9.939 1077 2HG1 VAL 139 2HG1 VAL 139 5.927 14.037 10.423 1078 3HG1 VAL 139 3HG1 VAL 139 6.554 13.372 8.915 1079 1HG2 VAL 139 1HG2 VAL 139 5.626 11.517 9.577 1080 2HG2 VAL 139 2HG2 VAL 139 5.910 10.773 11.150 1081 3HG2 VAL 139 3HG2 VAL 139 6.994 10.428 9.804 1082 H SER 140 HN SER 140 8.779 9.583 9.706 1083 HA SER 140 HA SER 140 10.334 8.808 12.113 1084 1HB SER 140 2HB SER 140 7.487 8.320 11.747 1085 2HB SER 140 1HB SER 140 8.381 6.813 11.925 1086 HG SER 140 HG SER 140 7.759 8.651 13.778 1087 H SER 141 HN SER 141 11.667 7.063 11.728 1088 HA SER 141 HA SER 141 11.183 5.319 9.414 1089 1HB SER 141 2HB SER 141 12.348 7.103 8.293 1090 2HB SER 141 1HB SER 141 13.566 7.180 9.563 1091 HG SER 141 HG SER 141 13.647 5.748 7.385 1092 H ARG 142 HN ARG 142 12.110 3.297 9.714 1093 HA ARG 142 HA ARG 142 14.100 3.003 11.919 1094 1HB ARG 142 2HB ARG 142 11.773 2.378 12.682 1095 2HB ARG 142 1HB ARG 142 11.761 1.130 11.435 1096 1HG ARG 142 2HG ARG 142 12.502 -0.033 13.341 1097 2HG ARG 142 1HG ARG 142 14.004 0.359 12.503 1098 1HD ARG 142 2HD ARG 142 14.521 2.112 13.993 1099 2HD ARG 142 1HD ARG 142 12.862 2.223 14.578 1100 HE ARG 142 HE ARG 142 13.355 0.511 16.117 1101 1HH1 ARG 142 1HH2 ARG 142 15.681 0.578 13.540 1102 2HH1 ARG 142 2HH2 ARG 142 16.696 -0.618 14.268 1103 1HH2 ARG 142 1HH1 ARG 142 14.683 -1.043 17.053 1104 2HH2 ARG 142 2HH1 ARG 142 16.136 -1.532 16.247 1105 H THR 143 HN THR 143 15.802 1.630 11.325 1106 HA THR 143 HA THR 143 15.501 0.268 8.683 1107 HB THR 143 HB THR 143 18.126 0.914 10.019 1108 HG1 THR 143 HG1 THR 143 17.160 2.610 8.057 1109 1HG2 THR 143 1HG2 THR 143 18.801 -0.245 8.200 1110 2HG2 THR 143 2HG2 THR 143 18.339 1.181 7.271 1111 3HG2 THR 143 3HG2 THR 143 17.206 -0.158 7.452 1112 H VAL 144 HN VAL 144 15.781 -1.924 8.591 1113 HA VAL 144 HA VAL 144 16.896 -3.284 11.006 1114 HB VAL 144 HB VAL 144 14.455 -3.527 11.041 1115 1HG1 VAL 144 1HG1 VAL 144 14.824 -4.658 8.248 1116 2HG1 VAL 144 2HG1 VAL 144 14.003 -3.145 8.665 1117 3HG1 VAL 144 3HG1 VAL 144 13.311 -4.698 9.166 1118 1HG2 VAL 144 1HG2 VAL 144 15.470 -6.160 9.996 1119 2HG2 VAL 144 2HG2 VAL 144 14.403 -5.847 11.365 1120 3HG2 VAL 144 3HG2 VAL 144 16.127 -5.496 11.493 1121 H GLU 145 HN GLU 145 18.509 -4.710 10.489 1122 HA GLU 145 HA GLU 145 18.956 -5.272 7.599 1123 1HB GLU 145 2HB GLU 145 20.836 -5.749 9.924 1124 2HB GLU 145 1HB GLU 145 21.232 -5.808 8.206 1125 1HG GLU 145 HG2 GLU 145 21.561 -3.580 8.140 1126 2HG GLU 145 HG1 GLU 145 19.979 -3.278 8.860 1127 H ASP 146 HN ASP 146 17.957 -7.135 7.000 1128 HA ASP 146 HA ASP 146 17.588 -9.320 8.909 1129 1HB ASP 146 2HB ASP 146 16.184 -8.401 6.723 1130 2HB ASP 146 1HB ASP 146 16.959 -9.851 6.082 1131 H THR 147 HN THR 147 18.065 -11.580 8.157 1132 HA THR 147 HA THR 147 20.870 -11.957 7.822 1133 HB THR 147 HB THR 147 20.150 -14.382 7.336 1134 HG1 THR 147 HG1 THR 147 18.133 -14.474 6.774 1135 1HG2 THR 147 1HG2 THR 147 19.705 -14.768 9.641 1136 2HG2 THR 147 2HG2 THR 147 18.964 -13.180 9.841 1137 3HG2 THR 147 3HG2 THR 147 20.705 -13.316 9.598 1138 H ASN 148 HN ASN 148 18.444 -11.340 5.470 1139 HA ASN 148 HA ASN 148 20.215 -12.426 3.326 1140 1HB ASN 148 2HB ASN 148 17.648 -12.979 3.531 1141 2HB ASN 148 1HB ASN 148 17.455 -11.397 2.776 1142 1HD2 ASN 148 1HD2 ASN 148 17.678 -14.610 1.980 1143 2HD2 ASN 148 2HD2 ASN 148 18.343 -14.470 0.425 1144 HA PRO 149 HA PRO 149 21.799 -8.324 2.608 1145 1HB PRO 149 2HB PRO 149 22.130 -9.044 -0.187 1146 2HB PRO 149 1HB PRO 149 23.371 -8.779 1.045 1147 1HG PRO 149 2HG PRO 149 22.427 -11.267 -0.029 1148 2HG PRO 149 1HG PRO 149 23.720 -10.993 1.146 1149 1HD PRO 149 2HD PRO 149 21.241 -12.187 1.671 1150 2HD PRO 149 1HD PRO 149 22.394 -11.599 2.879 1151 H ALA 150 HN ALA 150 19.586 -9.828 0.250 1152 HA ALA 150 HA ALA 150 18.686 -7.238 -0.748 1153 1HB ALA 150 1HB ALA 150 18.730 -9.578 -1.950 1154 2HB ALA 150 2HB ALA 150 17.425 -8.443 -2.293 1155 3HB ALA 150 3HB ALA 150 17.157 -9.785 -1.180 1156 H LEU 151 HN LEU 151 17.476 -9.623 1.606 1157 HA LEU 151 HA LEU 151 14.877 -8.423 1.861 1158 1HB LEU 151 2HB LEU 151 16.468 -10.195 3.727 1159 2HB LEU 151 1HB LEU 151 14.811 -9.688 4.046 1160 HG LEU 151 HG LEU 151 15.703 -11.164 1.552 1161 1HD1 LEU 151 1HD1 LEU 151 14.813 -12.068 4.229 1162 2HD1 LEU 151 2HD1 LEU 151 15.752 -12.924 3.005 1163 3HD1 LEU 151 3HD1 LEU 151 13.996 -12.836 2.866 1164 1HD2 LEU 151 1HD2 LEU 151 12.875 -11.208 2.301 1165 2HD2 LEU 151 2HD2 LEU 151 13.613 -10.806 0.751 1166 3HD2 LEU 151 3HD2 LEU 151 13.456 -9.572 2.001 1167 H THR 152 HN THR 152 17.902 -7.211 2.763 1168 HA THR 152 HA THR 152 17.238 -5.966 5.271 1169 HB THR 152 HB THR 152 19.114 -4.897 3.135 1170 HG1 THR 152 HG1 THR 152 20.622 -6.236 3.953 1171 1HG2 THR 152 1HG2 THR 152 19.659 -3.339 4.660 1172 2HG2 THR 152 2HG2 THR 152 19.970 -4.586 5.870 1173 3HG2 THR 152 3HG2 THR 152 18.345 -3.924 5.681 1174 H HIS 153 HN HIS 153 16.207 -3.936 5.638 1175 HA HIS 153 HA HIS 153 15.568 -2.181 3.407 1176 1HB HIS 153 2HB HIS 153 13.088 -2.481 3.582 1177 2HB HIS 153 1HB HIS 153 13.920 -3.894 2.937 1178 HD1 HIS 153 HD1 HIS 153 14.656 -5.671 5.002 1179 HD2 HIS 153 HD2 HIS 153 11.382 -3.170 5.638 1180 HE1 HIS 153 HE1 HIS 153 13.322 -6.703 6.891 1181 H THR 154 HN THR 154 14.070 -0.403 4.109 1182 HA THR 154 HA THR 154 14.145 0.054 7.056 1183 HB THR 154 HB THR 154 14.752 2.184 4.987 1184 HG1 THR 154 HG1 THR 154 16.376 0.576 5.029 1185 1HG2 THR 154 1HG2 THR 154 15.490 3.471 6.906 1186 2HG2 THR 154 2HG2 THR 154 15.239 2.089 7.972 1187 3HG2 THR 154 3HG2 THR 154 13.858 2.882 7.219 1188 H TYR 155 HN TYR 155 12.458 1.578 7.764 1189 HA TYR 155 HA TYR 155 10.170 1.662 5.840 1190 1HB TYR 155 2HB TYR 155 10.205 1.759 8.874 1191 2HB TYR 155 1HB TYR 155 8.754 1.887 7.881 1192 HD1 TYR 155 HD1 TYR 155 8.309 -0.042 6.194 1193 HD2 TYR 155 HD2 TYR 155 10.998 -0.349 9.529 1194 HE1 TYR 155 HE1 TYR 155 8.159 -2.515 6.087 1195 HE2 TYR 155 HE2 TYR 155 10.848 -2.822 9.422 1196 HH TYR 155 HH TYR 155 9.681 -4.480 6.810 1197 H GLU 156 HN GLU 156 9.617 3.685 5.097 1198 HA GLU 156 HA GLU 156 10.581 6.020 6.700 1199 1HB GLU 156 2HB GLU 156 10.493 5.497 3.746 1200 2HB GLU 156 1HB GLU 156 10.363 7.152 4.336 1201 1HG GLU 156 HG2 GLU 156 12.460 6.120 5.829 1202 2HG GLU 156 HG1 GLU 156 12.702 5.396 4.239 1203 H VAL 157 HN VAL 157 8.984 7.286 7.495 1204 HA VAL 157 HA VAL 157 6.285 7.132 6.209 1205 HB VAL 157 HB VAL 157 6.952 7.888 9.071 1206 1HG1 VAL 157 1HG1 VAL 157 4.869 8.811 8.768 1207 2HG1 VAL 157 2HG1 VAL 157 4.366 7.152 9.094 1208 3HG1 VAL 157 3HG1 VAL 157 4.469 7.731 7.431 1209 1HG2 VAL 157 1HG2 VAL 157 6.887 5.314 7.821 1210 2HG2 VAL 157 2HG2 VAL 157 5.464 5.450 8.854 1211 3HG2 VAL 157 3HG2 VAL 157 7.074 5.687 9.535 1212 H TRP 158 HN TRP 158 5.623 9.022 5.254 1213 HA TRP 158 HA TRP 158 7.031 11.533 6.081 1214 1HB TRP 158 2HB TRP 158 5.806 10.853 3.394 1215 2HB TRP 158 1HB TRP 158 6.613 12.363 3.802 1216 HD1 TRP 158 HD1 TRP 158 7.484 8.585 3.936 1217 HE1 TRP 158 HE1 TRP 158 9.935 8.318 3.183 1218 HE3 TRP 158 HE3 TRP 158 8.720 13.474 3.175 1219 HZ2 TRP 158 HZ2 TRP 158 12.134 9.958 2.379 1220 HZ3 TRP 158 HZ3 TRP 158 10.995 14.099 2.417 1221 HH2 TRP 158 HH2 TRP 158 12.703 12.347 2.018 1222 H GLN 159 HN GLN 159 5.719 13.527 5.684 1223 HA GLN 159 HA GLN 159 2.779 13.120 5.918 1224 1HB GLN 159 2HB GLN 159 4.560 14.683 7.808 1225 2HB GLN 159 1HB GLN 159 2.832 15.009 7.666 1226 1HG GLN 159 2HG GLN 159 2.476 12.508 8.091 1227 2HG GLN 159 1HG GLN 159 4.173 12.455 8.571 1228 1HE2 GLN 159 1HE2 GLN 159 1.143 12.743 9.889 1229 2HE2 GLN 159 2HE2 GLN 159 1.520 13.645 11.276 1230 H LYS 160 HN LYS 160 1.608 14.860 4.865 1231 HA LYS 160 HA LYS 160 3.228 16.436 3.028 1232 1HB LYS 160 2HB LYS 160 0.952 15.431 2.507 1233 2HB LYS 160 1HB LYS 160 0.256 16.678 3.542 1234 1HG LYS 160 2HG LYS 160 1.976 18.112 1.903 1235 2HG LYS 160 1HG LYS 160 1.308 16.896 0.815 1236 1HD LYS 160 2HD LYS 160 -0.725 18.069 2.568 1237 2HD LYS 160 1HD LYS 160 0.064 19.270 1.546 1238 1HE LYS 160 2HE LYS 160 -0.312 17.536 -0.368 1239 2HE LYS 160 1HE LYS 160 -1.506 16.837 0.726 1240 1HZ LYS 160 1HE LYS 160 -2.684 18.878 0.803 1241 2HZ LYS 160 2HE LYS 160 -2.392 18.540 -0.836 1242 3HZ LYS 160 3HE LYS 160 -1.457 19.705 -0.027 1243 H LYS 161 HN LYS 161 3.882 18.512 3.314 1244 HA LYS 161 HA LYS 161 3.041 19.899 5.801 1245 1HB LYS 161 2HB LYS 161 5.252 20.539 3.824 1246 2HB LYS 161 1HB LYS 161 4.956 21.394 5.338 1247 1HG LYS 161 2HG LYS 161 5.137 18.483 5.678 1248 2HG LYS 161 1HG LYS 161 6.617 19.201 5.041 1249 1HD LYS 161 2HD LYS 161 7.005 19.516 7.292 1250 2HD LYS 161 1HD LYS 161 6.117 21.002 6.952 1251 1HE LYS 161 2HE LYS 161 3.998 19.612 7.508 1252 2HE LYS 161 1HE LYS 161 5.119 18.475 8.257 1253 1HZ LYS 161 1HE LYS 161 5.728 19.979 9.851 1254 2HZ LYS 161 2HE LYS 161 4.100 20.413 9.633 1255 3HZ LYS 161 3HE LYS 161 5.332 21.330 8.906 1256 H ALA 162 HN ALA 162 2.965 22.413 5.458 1257 HA ALA 162 HA ALA 162 1.518 23.055 2.926 1258 1HB ALA 162 1HB ALA 162 -0.087 22.586 4.827 1259 2HB ALA 162 2HB ALA 162 -0.230 24.199 4.128 1260 3HB ALA 162 3HB ALA 162 0.606 23.975 5.665 1261 AH51 NDP 168 AH51 NDP 168 -5.510 -2.215 -10.630 1262 AH52 NDP 168 AH52 NDP 168 -5.599 -3.418 -9.332 1263 AH4* NDP 168 AH4* NDP 168 -7.687 -4.329 -10.371 1264 AH3* NDP 168 AH3* NDP 168 -7.349 -2.056 -12.344 1265 AHO3 NDP 168 AHO3 NDP 168 -6.868 -4.211 -13.025 1266 AH2* NDP 168 AH2* NDP 168 -9.746 -1.884 -12.353 1267 AH1* NDP 168 AH1* NDP 168 -10.046 -2.112 -9.607 1268 AH8 NDP 168 AH8 NDP 168 -6.952 -0.108 -10.481 1269 AH61 NDP 168 AH61 NDP 168 -9.058 4.275 -10.467 1270 AH62 NDP 168 AH62 NDP 168 -10.677 4.806 -10.102 1271 AH2 NDP 168 AH2 NDP 168 -13.253 1.123 -10.069 1272 NH51 NDP 168 NH51 NDP 168 -0.713 -4.543 -10.558 1273 NH52 NDP 168 NH52 NDP 168 -1.799 -5.724 -9.831 1274 NH4* NDP 168 NH4* NDP 168 0.709 -6.248 -9.653 1275 NH3* NDP 168 NH3* NDP 168 -0.956 -6.167 -7.117 1276 NHO3 NDP 168 NHO3 NDP 168 -0.035 -8.545 -7.854 1277 NH2* NDP 168 NH2* NDP 168 1.032 -6.929 -6.000 1278 NHO2 NDP 168 NHO2 NDP 168 2.757 -7.108 -8.095 1279 NH1* NDP 168 NH1* NDP 168 2.743 -5.191 -7.348 1280 NH2 NDP 168 NH2 NDP 168 3.280 -3.833 -5.463 1281 NH71 NDP 168 NH71 NDP 168 4.677 -3.363 -4.619 1282 NH72 NDP 168 NH72 NDP 168 5.133 -2.396 -3.235 1283 NH41 NDP 168 NH41 NDP 168 0.209 -2.007 -3.707 1284 NH42 NDP 168 NH42 NDP 168 0.367 -3.529 -2.762 1285 NH5 NDP 168 NH5 NDP 168 -1.560 -3.641 -4.331 1286 NH6 NDP 168 NH6 NDP 168 -0.857 -4.864 -6.422 1287 H1 TRR 170 H1 TRR 170 5.062 -5.063 1.649 1288 1H2 TRR 170 1H2 TRR 170 5.118 -1.841 3.163 1289 2H2 TRR 170 2H2 TRR 170 6.018 -3.266 2.899 1290 1H4 TRR 170 1H4 TRR 170 0.699 -1.448 1.418 1291 2H4 TRR 170 2H4 TRR 170 0.009 -2.713 0.530 1292 H6 TRR 170 H6 TRR 170 3.276 -6.097 0.395 1293 1H7 TRR 170 1H7 TRR 170 0.847 -4.496 -1.127 1294 2H7 TRR 170 2H7 TRR 170 -0.067 -4.678 0.373 1295 H12 TRR 170 H12 TRR 170 1.585 -6.381 -2.315 1296 H16 TRR 170 H16 TRR 170 0.271 -6.792 1.773 1297 1H17 TRR 170 1H17 TRR 170 2.173 -8.768 -4.798 1298 2H17 TRR 170 2H17 TRR 170 3.073 -7.706 -3.725 1299 3H17 TRR 170 3H17 TRR 170 1.367 -7.408 -4.028 1300 1H18 TRR 170 1H18 TRR 170 3.147 -10.733 -0.774 1301 2H18 TRR 170 2H18 TRR 170 2.302 -12.269 -0.643 1302 3H18 TRR 170 3H18 TRR 170 2.478 -11.239 0.770 1303 1H19 TRR 170 1H19 TRR 170 0.780 -8.554 3.574 1304 2H19 TRR 170 2H19 TRR 170 -0.630 -9.602 3.621 1305 3H19 TRR 170 3H19 TRR 170 -0.727 -8.033 2.842 Start of MODEL 6 1 1H THR 1 1H THR 1 -5.692 9.352 4.480 2 2H THR 1 2H THR 1 -6.739 10.121 3.386 3 3H THR 1 3H THR 1 -5.184 10.746 3.660 4 HA THR 1 HA THR 1 -5.684 8.062 2.508 5 HB THR 1 HB THR 1 -4.765 10.457 0.939 6 HG1 THR 1 HG1 THR 1 -7.445 9.588 1.257 7 1HG2 THR 1 1HG2 THR 1 -5.150 9.110 -0.898 8 2HG2 THR 1 2HG2 THR 1 -6.434 8.204 -0.095 9 3HG2 THR 1 3HG2 THR 1 -4.745 7.876 0.295 10 H ALA 2 HN ALA 2 -3.887 6.901 2.894 11 HA ALA 2 HA ALA 2 -1.263 8.322 2.786 12 1HB ALA 2 1HB ALA 2 -0.655 7.531 4.828 13 2HB ALA 2 2HB ALA 2 -1.323 5.934 4.496 14 3HB ALA 2 3HB ALA 2 -2.373 7.227 5.075 15 H PHE 3 HN PHE 3 0.497 6.998 1.990 16 HA PHE 3 HA PHE 3 -0.451 4.730 0.287 17 1HB PHE 3 2HB PHE 3 1.839 6.674 0.124 18 2HB PHE 3 1HB PHE 3 1.996 5.102 -0.645 19 HD1 PHE 3 HD1 PHE 3 -1.450 5.973 -0.679 20 HD2 PHE 3 HD2 PHE 3 2.288 6.861 -2.612 21 HE1 PHE 3 HE1 PHE 3 -2.669 6.820 -2.665 22 HE2 PHE 3 HE2 PHE 3 1.062 7.706 -4.590 23 HZ PHE 3 HZ PHE 3 -1.414 7.688 -4.623 24 H LEU 4 HN LEU 4 0.276 2.643 0.790 25 HA LEU 4 HA LEU 4 2.561 2.461 2.706 26 1HB LEU 4 2HB LEU 4 0.547 2.078 4.002 27 2HB LEU 4 1HB LEU 4 -0.079 0.967 2.788 28 HG LEU 4 HG LEU 4 1.721 -0.621 3.262 29 1HD1 LEU 4 1HD1 LEU 4 3.648 0.032 4.223 30 2HD1 LEU 4 2HD1 LEU 4 2.784 0.533 5.676 31 3HD1 LEU 4 3HD1 LEU 4 3.007 1.668 4.348 32 1HD2 LEU 4 1HD2 LEU 4 1.014 -1.292 5.477 33 2HD2 LEU 4 2HD2 LEU 4 -0.379 -0.577 4.667 34 3HD2 LEU 4 3HD2 LEU 4 0.516 0.353 5.869 35 H TRP 5 HN TRP 5 3.864 1.997 0.793 36 HA TRP 5 HA TRP 5 3.457 -0.800 -0.179 37 1HB TRP 5 2HB TRP 5 3.835 -0.203 -2.422 38 2HB TRP 5 1HB TRP 5 2.792 1.088 -1.832 39 HD1 TRP 5 HD1 TRP 5 6.136 0.447 -3.337 40 HE1 TRP 5 HE1 TRP 5 7.471 2.645 -3.512 41 HE3 TRP 5 HE3 TRP 5 3.209 3.482 -0.462 42 HZ2 TRP 5 HZ2 TRP 5 7.318 5.334 -2.555 43 HZ3 TRP 5 HZ3 TRP 5 3.827 5.855 -0.109 44 HH2 TRP 5 HH2 TRP 5 5.876 6.785 -1.151 45 H ALA 6 HN ALA 6 5.356 -1.998 -0.465 46 HA ALA 6 HA ALA 6 7.814 -0.753 0.653 47 1HB ALA 6 1HB ALA 6 7.625 -2.742 1.797 48 2HB ALA 6 2HB ALA 6 8.459 -3.366 0.374 49 3HB ALA 6 3HB ALA 6 6.706 -3.515 0.505 50 H GLN 7 HN GLN 7 9.492 -0.278 -0.724 51 HA GLN 7 HA GLN 7 9.478 -1.595 -3.406 52 1HB GLN 7 2HB GLN 7 10.250 0.595 -4.366 53 2HB GLN 7 1HB GLN 7 8.604 0.643 -3.736 54 1HG GLN 7 2HG GLN 7 9.154 2.233 -2.243 55 2HG GLN 7 1HG GLN 7 10.497 1.266 -1.635 56 1HE2 GLN 7 1HE2 GLN 7 9.650 3.434 -4.387 57 2HE2 GLN 7 2HE2 GLN 7 11.225 4.031 -4.594 58 H ASP 8 HN ASP 8 11.612 -1.655 -4.444 59 HA ASP 8 HA ASP 8 13.718 -2.053 -2.439 60 1HB ASP 8 2HB ASP 8 15.026 -2.932 -4.385 61 2HB ASP 8 1HB ASP 8 13.484 -3.752 -4.149 62 H ARG 9 HN ARG 9 16.020 -1.423 -3.706 63 HA ARG 9 HA ARG 9 16.321 1.342 -3.220 64 1HB ARG 9 2HB ARG 9 18.507 1.111 -4.404 65 2HB ARG 9 1HB ARG 9 18.234 -0.156 -3.209 66 1HG ARG 9 2HG ARG 9 18.771 -1.571 -4.903 67 2HG ARG 9 1HG ARG 9 17.120 -1.280 -5.446 68 1HD ARG 9 2HD ARG 9 18.640 -0.894 -7.311 69 2HD ARG 9 1HD ARG 9 17.956 0.646 -6.806 70 HE ARG 9 HE ARG 9 20.078 1.177 -5.708 71 1HH1 ARG 9 1HH1 ARG 9 20.055 -1.688 -7.689 72 2HH1 ARG 9 2HH1 ARG 9 21.775 -1.726 -7.845 73 1HH2 ARG 9 1HH2 ARG 9 22.310 1.098 -5.922 74 2HH2 ARG 9 2HH2 ARG 9 23.044 -0.164 -6.854 75 H ASP 10 HN ASP 10 15.798 -0.336 -6.350 76 HA ASP 10 HA ASP 10 15.983 2.117 -7.878 77 1HB ASP 10 2HB ASP 10 15.205 -0.714 -8.417 78 2HB ASP 10 1HB ASP 10 14.652 0.516 -9.555 79 H GLY 11 HN GLY 11 13.391 0.405 -6.252 80 1HA GLY 11 2HA GLY 11 11.438 1.748 -5.537 81 2HA GLY 11 1HA GLY 11 11.553 2.621 -7.064 82 H LEU 12 HN LEU 12 11.721 -0.897 -6.561 83 HA LEU 12 HA LEU 12 9.576 -1.244 -8.570 84 1HB LEU 12 2HB LEU 12 11.622 -2.663 -8.663 85 2HB LEU 12 1HB LEU 12 11.232 -3.299 -7.066 86 HG LEU 12 HG LEU 12 9.087 -4.178 -7.950 87 1HD1 LEU 12 1HD1 LEU 12 8.895 -4.224 -10.492 88 2HD1 LEU 12 2HD1 LEU 12 10.155 -2.988 -10.519 89 3HD1 LEU 12 3HD1 LEU 12 8.611 -2.656 -9.735 90 1HD2 LEU 12 1HD2 LEU 12 10.043 -6.070 -8.932 91 2HD2 LEU 12 2HD2 LEU 12 11.425 -5.370 -8.087 92 3HD2 LEU 12 3HD2 LEU 12 11.236 -5.125 -9.824 93 H ILE 13 HN ILE 13 7.753 -2.808 -8.004 94 HA ILE 13 HA ILE 13 7.179 -2.795 -5.086 95 HB ILE 13 HB ILE 13 4.690 -2.509 -5.881 96 1HG1 ILE 13 2HG1 ILE 13 5.648 -0.609 -7.891 97 2HG1 ILE 13 1HG1 ILE 13 5.945 -2.282 -8.355 98 1HG2 ILE 13 1HG2 ILE 13 4.880 -0.486 -4.896 99 2HG2 ILE 13 2HG2 ILE 13 6.023 0.094 -6.108 100 3HG2 ILE 13 3HG2 ILE 13 6.594 -0.870 -4.746 101 1HD1 ILE 13 1HD1 ILE 13 3.720 -2.766 -8.542 102 2HD1 ILE 13 2HD1 ILE 13 3.572 -1.022 -8.759 103 3HD1 ILE 13 3HD1 ILE 13 3.281 -1.741 -7.174 104 H GLY 14 HN GLY 14 5.585 -4.043 -8.080 105 1HA GLY 14 2HA GLY 14 6.075 -6.794 -7.139 106 2HA GLY 14 1HA GLY 14 4.387 -6.288 -7.137 107 H LYS 15 HN LYS 15 5.802 -8.333 -8.807 108 HA LYS 15 HA LYS 15 4.997 -7.227 -11.465 109 1HB LYS 15 2HB LYS 15 7.517 -7.430 -11.125 110 2HB LYS 15 1HB LYS 15 7.275 -9.175 -11.059 111 1HG LYS 15 2HG LYS 15 5.891 -7.983 -13.334 112 2HG LYS 15 1HG LYS 15 7.620 -7.644 -13.371 113 1HD LYS 15 2HD LYS 15 7.080 -10.408 -12.607 114 2HD LYS 15 1HD LYS 15 6.394 -10.016 -14.183 115 1HE LYS 15 2HE LYS 15 8.518 -10.527 -14.885 116 2HE LYS 15 1HE LYS 15 8.801 -8.839 -14.463 117 1HZ LYS 15 1HE LYS 15 9.413 -11.252 -12.866 118 2HZ LYS 15 2HE LYS 15 9.343 -9.706 -12.165 119 3HZ LYS 15 3HE LYS 15 10.477 -10.038 -13.387 120 H ASP 16 HN ASP 16 3.702 -8.567 -12.663 121 HA ASP 16 HA ASP 16 2.389 -10.418 -13.227 122 1HB ASP 16 2HB ASP 16 4.898 -11.520 -12.212 123 2HB ASP 16 1HB ASP 16 3.535 -12.609 -11.951 124 H GLY 17 HN GLY 17 1.893 -8.902 -10.710 125 1HA GLY 17 2HA GLY 17 0.057 -9.134 -9.199 126 2HA GLY 17 1HA GLY 17 0.040 -10.864 -9.525 127 H HIS 18 HN HIS 18 1.990 -12.083 -8.635 128 HA HIS 18 HA HIS 18 2.165 -11.782 -5.835 129 1HB HIS 18 2HB HIS 18 4.135 -13.328 -6.011 130 2HB HIS 18 1HB HIS 18 2.725 -13.884 -6.910 131 HD1 HIS 18 HD1 HIS 18 6.076 -12.196 -7.448 132 HD2 HIS 18 HD2 HIS 18 3.104 -14.089 -9.678 133 HE1 HIS 18 HE1 HIS 18 7.000 -12.466 -9.791 134 H LEU 19 HN LEU 19 4.853 -11.845 -5.112 135 HA LEU 19 HA LEU 19 5.708 -9.051 -5.744 136 1HB LEU 19 2HB LEU 19 5.821 -10.733 -3.272 137 2HB LEU 19 1HB LEU 19 7.129 -9.580 -3.545 138 HG LEU 19 HG LEU 19 4.230 -8.767 -3.763 139 1HD1 LEU 19 1HD1 LEU 19 6.015 -8.663 -1.311 140 2HD1 LEU 19 2HD1 LEU 19 4.608 -9.708 -1.509 141 3HD1 LEU 19 3HD1 LEU 19 4.404 -7.957 -1.439 142 1HD2 LEU 19 1HD2 LEU 19 5.491 -6.574 -2.991 143 2HD2 LEU 19 2HD2 LEU 19 5.544 -7.074 -4.681 144 3HD2 LEU 19 3HD2 LEU 19 6.908 -7.417 -3.617 145 HA PRO 20 HA PRO 20 9.475 -10.690 -7.424 146 1HB PRO 20 2HB PRO 20 11.094 -8.472 -6.713 147 2HB PRO 20 1HB PRO 20 10.198 -8.695 -8.223 148 1HG PRO 20 2HG PRO 20 9.690 -6.762 -6.255 149 2HG PRO 20 1HG PRO 20 8.637 -7.186 -7.610 150 1HD PRO 20 2HD PRO 20 8.449 -7.981 -4.753 151 2HD PRO 20 1HD PRO 20 7.164 -7.808 -5.969 152 H TRP 21 HN TRP 21 9.628 -9.371 -4.123 153 HA TRP 21 HA TRP 21 11.842 -11.295 -3.548 154 1HB TRP 21 2HB TRP 21 12.476 -9.669 -1.740 155 2HB TRP 21 1HB TRP 21 12.617 -8.988 -3.362 156 HD1 TRP 21 HD1 TRP 21 10.176 -9.037 -0.378 157 HE1 TRP 21 HE1 TRP 21 8.758 -6.885 -0.449 158 HE3 TRP 21 HE3 TRP 21 11.849 -7.022 -4.765 159 HZ2 TRP 21 HZ2 TRP 21 8.384 -4.607 -2.139 160 HZ3 TRP 21 HZ3 TRP 21 10.946 -4.860 -5.580 161 HH2 TRP 21 HH2 TRP 21 9.217 -3.652 -4.274 162 H HIS 22 HN HIS 22 11.609 -12.558 -1.687 163 HA HIS 22 HA HIS 22 8.901 -12.557 -0.463 164 1HB HIS 22 2HB HIS 22 10.226 -14.659 -1.353 165 2HB HIS 22 1HB HIS 22 11.041 -14.558 0.208 166 HD1 HIS 22 HD1 HIS 22 7.640 -15.118 -1.324 167 HD2 HIS 22 HD2 HIS 22 9.446 -15.273 2.430 168 HE1 HIS 22 HE1 HIS 22 5.961 -16.197 0.235 169 H LEU 23 HN LEU 23 8.993 -10.848 1.034 170 HA LEU 23 HA LEU 23 11.035 -11.159 3.200 171 1HB LEU 23 2HB LEU 23 11.486 -9.165 1.788 172 2HB LEU 23 1HB LEU 23 9.869 -8.563 2.147 173 HG LEU 23 HG LEU 23 10.515 -8.721 4.620 174 1HD1 LEU 23 1HD1 LEU 23 12.758 -9.000 5.231 175 2HD1 LEU 23 2HD1 LEU 23 13.344 -8.621 3.612 176 3HD1 LEU 23 3HD1 LEU 23 12.577 -10.177 3.930 177 1HD2 LEU 23 1HD2 LEU 23 10.680 -6.670 2.873 178 2HD2 LEU 23 2HD2 LEU 23 12.377 -6.784 3.332 179 3HD2 LEU 23 3HD2 LEU 23 11.148 -6.507 4.566 180 HA PRO 24 HA PRO 24 7.104 -11.680 5.422 181 1HB PRO 24 2HB PRO 24 8.572 -12.546 7.705 182 2HB PRO 24 1HB PRO 24 7.666 -13.548 6.563 183 1HG PRO 24 2HG PRO 24 10.484 -13.403 6.896 184 2HG PRO 24 1HG PRO 24 9.578 -14.346 5.706 185 1HD PRO 24 2HD PRO 24 11.118 -11.919 5.308 186 2HD PRO 24 1HD PRO 24 10.391 -12.986 4.098 187 H ASP 25 HN ASP 25 10.098 -10.231 6.680 188 HA ASP 25 HA ASP 25 8.979 -8.830 8.881 189 1HB ASP 25 2HB ASP 25 11.483 -9.085 7.883 190 2HB ASP 25 1HB ASP 25 11.105 -7.453 7.332 191 H ASP 26 HN ASP 26 8.842 -8.178 5.442 192 HA ASP 26 HA ASP 26 7.950 -5.411 5.793 193 1HB ASP 26 2HB ASP 26 9.118 -5.921 3.748 194 2HB ASP 26 1HB ASP 26 8.037 -7.269 3.398 195 H LEU 27 HN LEU 27 6.447 -8.561 5.049 196 HA LEU 27 HA LEU 27 3.790 -7.663 4.655 197 1HB LEU 27 2HB LEU 27 4.768 -10.219 5.969 198 2HB LEU 27 1HB LEU 27 3.117 -9.941 5.413 199 HG LEU 27 HG LEU 27 5.377 -9.499 3.495 200 1HD1 LEU 27 1HD1 LEU 27 4.529 -12.105 3.018 201 2HD1 LEU 27 2HD1 LEU 27 4.700 -12.044 4.772 202 3HD1 LEU 27 3HD1 LEU 27 6.069 -11.638 3.739 203 1HD2 LEU 27 1HD2 LEU 27 2.447 -9.965 3.463 204 2HD2 LEU 27 2HD2 LEU 27 3.354 -10.748 2.170 205 3HD2 LEU 27 3HD2 LEU 27 3.443 -8.999 2.374 206 H HIS 28 HN HIS 28 5.513 -8.479 7.666 207 HA HIS 28 HA HIS 28 3.320 -8.080 9.449 208 1HB HIS 28 2HB HIS 28 6.295 -7.662 9.884 209 2HB HIS 28 1HB HIS 28 5.091 -7.695 11.173 210 HD1 HIS 28 HD1 HIS 28 3.378 -10.032 10.597 211 HD2 HIS 28 HD2 HIS 28 7.478 -10.150 9.854 212 HE1 HIS 28 HE1 HIS 28 4.026 -12.479 10.546 213 H TYR 29 HN TYR 29 5.761 -5.834 8.159 214 HA TYR 29 HA TYR 29 4.907 -3.534 9.644 215 1HB TYR 29 2HB TYR 29 7.050 -3.813 8.251 216 2HB TYR 29 1HB TYR 29 6.048 -3.462 6.842 217 HD1 TYR 29 HD1 TYR 29 6.803 -2.124 10.264 218 HD2 TYR 29 HD2 TYR 29 5.733 -1.238 6.200 219 HE1 TYR 29 HE1 TYR 29 6.973 0.302 10.748 220 HE2 TYR 29 HE2 TYR 29 5.902 1.188 6.684 221 HH TYR 29 HH TYR 29 7.054 2.660 8.313 222 H PHE 30 HN PHE 30 3.803 -5.035 6.665 223 HA PHE 30 HA PHE 30 2.085 -2.886 5.810 224 1HB PHE 30 2HB PHE 30 2.809 -4.692 4.287 225 2HB PHE 30 1HB PHE 30 1.908 -5.864 5.247 226 HD1 PHE 30 HD1 PHE 30 1.220 -2.446 3.846 227 HD2 PHE 30 HD2 PHE 30 -0.096 -6.515 4.268 228 HE1 PHE 30 HE1 PHE 30 -0.840 -1.912 2.573 229 HE2 PHE 30 HE2 PHE 30 -2.155 -5.981 2.994 230 HZ PHE 30 HZ PHE 30 -2.525 -3.680 2.147 231 H ARG 31 HN ARG 31 1.432 -5.930 7.569 232 HA ARG 31 HA ARG 31 -1.346 -5.405 8.018 233 1HB ARG 31 2HB ARG 31 -0.576 -7.649 8.275 234 2HB ARG 31 1HB ARG 31 0.697 -7.165 9.391 235 1HG ARG 31 2HG ARG 31 -1.771 -6.297 10.523 236 2HG ARG 31 1HG ARG 31 -2.000 -7.961 9.989 237 1HD ARG 31 2HD ARG 31 -0.193 -8.752 11.304 238 2HD ARG 31 1HD ARG 31 0.442 -7.130 11.554 239 HE ARG 31 HE ARG 31 -1.507 -6.695 13.035 240 1HH1 ARG 31 1HH2 ARG 31 -0.835 -9.995 12.141 241 2HH1 ARG 31 2HH2 ARG 31 -1.658 -10.648 13.513 242 1HH2 ARG 31 1HH1 ARG 31 -2.572 -7.572 14.802 243 2HH2 ARG 31 2HH1 ARG 31 -2.634 -9.291 15.007 244 H ALA 32 HN ALA 32 1.568 -4.689 9.938 245 HA ALA 32 HA ALA 32 0.161 -3.652 12.215 246 1HB ALA 32 1HB ALA 32 2.679 -4.333 11.907 247 2HB ALA 32 2HB ALA 32 2.258 -3.037 13.026 248 3HB ALA 32 3HB ALA 32 2.876 -2.650 11.420 249 H GLN 33 HN GLN 33 1.519 -2.077 9.320 250 HA GLN 33 HA GLN 33 0.875 0.599 10.168 251 1HB GLN 33 2HB GLN 33 1.491 -0.621 7.475 252 2HB GLN 33 1HB GLN 33 1.153 1.099 7.674 253 1HG GLN 33 2HG GLN 33 3.110 0.019 9.600 254 2HG GLN 33 1HG GLN 33 3.643 -0.029 7.920 255 1HE2 GLN 33 1HE2 GLN 33 1.635 2.370 9.729 256 2HE2 GLN 33 2HE2 GLN 33 2.607 3.701 9.326 257 H THR 34 HN THR 34 -1.143 -1.925 9.055 258 HA THR 34 HA THR 34 -3.232 0.092 8.313 259 HB THR 34 HB THR 34 -4.273 -1.781 6.987 260 HG1 THR 34 HG1 THR 34 -1.753 -3.004 7.403 261 1HG2 THR 34 1HG2 THR 34 -2.347 -1.757 5.238 262 2HG2 THR 34 2HG2 THR 34 -1.537 -0.684 6.380 263 3HG2 THR 34 3HG2 THR 34 -3.092 -0.222 5.687 264 H VAL 35 HN VAL 35 -2.574 -1.062 11.018 265 HA VAL 35 HA VAL 35 -4.789 -2.878 11.611 266 HB VAL 35 HB VAL 35 -4.056 -2.629 13.960 267 1HG1 VAL 35 1HG1 VAL 35 -2.761 -3.923 11.976 268 2HG1 VAL 35 2HG1 VAL 35 -2.213 -3.957 13.653 269 3HG1 VAL 35 3HG1 VAL 35 -1.475 -2.840 12.505 270 1HG2 VAL 35 1HG2 VAL 35 -1.685 -1.203 13.829 271 2HG2 VAL 35 2HG2 VAL 35 -3.201 -0.592 14.489 272 3HG2 VAL 35 3HG2 VAL 35 -2.767 -0.245 12.816 273 H GLY 36 HN GLY 36 -6.846 -2.114 11.689 274 1HA GLY 36 2HA GLY 36 -8.648 -0.825 12.479 275 2HA GLY 36 1HA GLY 36 -7.502 0.135 13.410 276 H LYS 37 HN LYS 37 -6.662 -0.108 10.084 277 HA LYS 37 HA LYS 37 -7.888 2.586 9.613 278 1HB LYS 37 2HB LYS 37 -5.185 1.498 8.794 279 2HB LYS 37 1HB LYS 37 -5.880 2.960 8.095 280 1HG LYS 37 2HG LYS 37 -5.613 4.177 10.022 281 2HG LYS 37 1HG LYS 37 -5.872 2.778 11.065 282 1HD LYS 37 2HD LYS 37 -3.598 1.933 10.159 283 2HD LYS 37 1HD LYS 37 -3.358 3.593 9.613 284 1HE LYS 37 2HE LYS 37 -3.059 4.381 11.729 285 2HE LYS 37 1HE LYS 37 -4.306 3.331 12.401 286 1HZ LYS 37 1HE LYS 37 -1.462 2.778 11.935 287 2HZ LYS 37 2HE LYS 37 -2.568 1.490 11.856 288 3HZ LYS 37 3HE LYS 37 -2.427 2.406 13.280 289 H ILE 38 HN ILE 38 -8.148 3.073 7.200 290 HA ILE 38 HA ILE 38 -9.492 0.796 5.931 291 HB ILE 38 HB ILE 38 -8.966 3.576 4.838 292 1HG1 ILE 38 2HG1 ILE 38 -11.452 2.524 6.215 293 2HG1 ILE 38 1HG1 ILE 38 -10.228 3.504 7.022 294 1HG2 ILE 38 1HG2 ILE 38 -9.802 1.392 3.458 295 2HG2 ILE 38 2HG2 ILE 38 -10.321 3.034 3.080 296 3HG2 ILE 38 3HG2 ILE 38 -11.347 1.989 4.061 297 1HD1 ILE 38 1HD1 ILE 38 -12.009 4.972 6.241 298 2HD1 ILE 38 2HD1 ILE 38 -11.876 4.312 4.610 299 3HD1 ILE 38 3HD1 ILE 38 -10.559 5.270 5.283 300 H MET 39 HN MET 39 -8.437 -0.636 4.637 301 HA MET 39 HA MET 39 -5.848 0.209 3.413 302 1HB MET 39 2HB MET 39 -5.919 -1.843 4.892 303 2HB MET 39 1HB MET 39 -6.957 -2.598 3.682 304 1HG MET 39 2HG MET 39 -4.837 -1.577 2.188 305 2HG MET 39 1HG MET 39 -4.063 -2.192 3.648 306 1HE MET 39 1HE MET 39 -5.378 -4.816 4.625 307 2HE MET 39 2HE MET 39 -3.730 -4.272 4.327 308 3HE MET 39 3HE MET 39 -4.277 -5.806 3.657 309 H VAL 40 HN VAL 40 -6.148 0.943 1.345 310 HA VAL 40 HA VAL 40 -8.384 -0.124 -0.264 311 HB VAL 40 HB VAL 40 -6.359 1.996 -1.011 312 1HG1 VAL 40 1HG1 VAL 40 -7.574 1.084 -2.910 313 2HG1 VAL 40 2HG1 VAL 40 -8.209 2.690 -2.549 314 3HG1 VAL 40 3HG1 VAL 40 -9.104 1.254 -2.051 315 1HG2 VAL 40 1HG2 VAL 40 -8.565 3.402 -0.424 316 2HG2 VAL 40 2HG2 VAL 40 -7.350 3.031 0.800 317 3HG2 VAL 40 3HG2 VAL 40 -8.815 2.056 0.686 318 H VAL 41 HN VAL 41 -8.080 -1.823 -1.556 319 HA VAL 41 HA VAL 41 -5.431 -2.167 -2.901 320 HB VAL 41 HB VAL 41 -5.791 -4.666 -2.653 321 1HG1 VAL 41 1HG1 VAL 41 -5.200 -4.588 -0.133 322 2HG1 VAL 41 2HG1 VAL 41 -5.297 -2.836 -0.315 323 3HG1 VAL 41 3HG1 VAL 41 -4.131 -3.760 -1.263 324 1HG2 VAL 41 1HG2 VAL 41 -8.039 -3.612 -0.952 325 2HG2 VAL 41 2HG2 VAL 41 -7.252 -5.127 -0.519 326 3HG2 VAL 41 3HG2 VAL 41 -8.042 -4.961 -2.087 327 H GLY 42 HN GLY 42 -5.632 -2.428 -5.083 328 1HA GLY 42 2HA GLY 42 -8.182 -2.269 -6.371 329 2HA GLY 42 1HA GLY 42 -6.658 -2.634 -7.176 330 H ARG 43 HN ARG 43 -9.248 -3.855 -7.672 331 HA ARG 43 HA ARG 43 -9.727 -6.353 -6.534 332 1HB ARG 43 2HB ARG 43 -11.079 -5.192 -8.324 333 2HB ARG 43 1HB ARG 43 -9.898 -5.765 -9.499 334 1HG ARG 43 2HG ARG 43 -10.984 -7.818 -7.653 335 2HG ARG 43 1HG ARG 43 -12.121 -7.165 -8.830 336 1HD ARG 43 2HD ARG 43 -9.384 -8.258 -9.548 337 2HD ARG 43 1HD ARG 43 -10.877 -9.185 -9.657 338 HE ARG 43 HE ARG 43 -11.106 -6.699 -11.109 339 1HH1 ARG 43 1HH2 ARG 43 -9.736 -9.890 -11.188 340 2HH1 ARG 43 2HH2 ARG 43 -9.717 -9.966 -12.917 341 1HH2 ARG 43 1HH1 ARG 43 -11.072 -6.808 -13.352 342 2HH2 ARG 43 2HH1 ARG 43 -10.474 -8.232 -14.139 343 H ARG 44 HN ARG 44 -7.007 -5.467 -8.545 344 HA ARG 44 HA ARG 44 -6.425 -8.237 -9.302 345 1HB ARG 44 2HB ARG 44 -5.264 -5.570 -9.815 346 2HB ARG 44 1HB ARG 44 -4.115 -6.907 -9.806 347 1HG ARG 44 2HG ARG 44 -5.887 -8.098 -11.318 348 2HG ARG 44 1HG ARG 44 -6.493 -6.466 -11.598 349 1HD ARG 44 2HD ARG 44 -4.593 -5.804 -12.733 350 2HD ARG 44 1HD ARG 44 -3.552 -6.929 -11.860 351 HE ARG 44 HE ARG 44 -5.389 -8.418 -13.467 352 1HH1 ARG 44 1HH1 ARG 44 -2.631 -6.324 -13.696 353 2HH1 ARG 44 2HH1 ARG 44 -2.071 -7.029 -15.174 354 1HH2 ARG 44 1HH2 ARG 44 -4.653 -9.328 -15.387 355 2HH2 ARG 44 2HH2 ARG 44 -3.209 -8.722 -16.128 356 H THR 45 HN THR 45 -5.042 -5.839 -7.028 357 HA THR 45 HA THR 45 -3.093 -7.711 -5.975 358 HB THR 45 HB THR 45 -4.208 -5.319 -4.497 359 HG1 THR 45 HG1 THR 45 -2.288 -5.444 -6.577 360 1HG2 THR 45 1HG2 THR 45 -1.363 -6.301 -4.585 361 2HG2 THR 45 2HG2 THR 45 -2.538 -7.050 -3.503 362 3HG2 THR 45 3HG2 THR 45 -2.160 -5.335 -3.343 363 H TYR 46 HN TYR 46 -6.391 -6.779 -5.077 364 HA TYR 46 HA TYR 46 -6.521 -8.119 -2.566 365 1HB TYR 46 2HB TYR 46 -8.278 -6.562 -3.564 366 2HB TYR 46 1HB TYR 46 -8.820 -7.942 -4.522 367 HD1 TYR 46 HD1 TYR 46 -10.179 -9.639 -3.568 368 HD2 TYR 46 HD2 TYR 46 -8.220 -6.786 -1.028 369 HE1 TYR 46 HE1 TYR 46 -11.454 -10.497 -1.621 370 HE2 TYR 46 HE2 TYR 46 -9.495 -7.640 0.919 371 HH TYR 46 HH TYR 46 -12.128 -9.887 0.551 372 H GLU 47 HN GLU 47 -7.421 -9.302 -5.820 373 HA GLU 47 HA GLU 47 -7.984 -11.982 -4.943 374 1HB GLU 47 2HB GLU 47 -7.634 -10.585 -7.536 375 2HB GLU 47 1HB GLU 47 -7.309 -12.318 -7.554 376 1HG GLU 47 HG2 GLU 47 -9.688 -11.838 -8.054 377 2HG GLU 47 HG1 GLU 47 -9.514 -12.760 -6.561 378 H SER 48 HN SER 48 -5.039 -10.277 -5.414 379 HA SER 48 HA SER 48 -3.465 -12.748 -5.824 380 1HB SER 48 2HB SER 48 -1.588 -11.319 -6.166 381 2HB SER 48 1HB SER 48 -2.938 -10.509 -6.954 382 HG SER 48 HG SER 48 -1.708 -9.107 -5.601 383 H PHE 49 HN PHE 49 -4.401 -10.548 -3.283 384 HA PHE 49 HA PHE 49 -2.464 -10.840 -1.325 385 1HB PHE 49 2HB PHE 49 -5.379 -10.449 -1.337 386 2HB PHE 49 1HB PHE 49 -4.779 -11.196 0.142 387 HD1 PHE 49 HD1 PHE 49 -3.094 -10.038 1.545 388 HD2 PHE 49 HD2 PHE 49 -4.816 -8.173 -1.917 389 HE1 PHE 49 HE1 PHE 49 -2.284 -7.832 2.330 390 HE2 PHE 49 HE2 PHE 49 -4.008 -5.966 -1.134 391 HZ PHE 49 HZ PHE 49 -2.738 -5.794 0.990 392 HA PRO 50 HA PRO 50 -2.262 -15.199 -0.413 393 1HB PRO 50 2HB PRO 50 -1.025 -14.869 2.087 394 2HB PRO 50 1HB PRO 50 -0.207 -15.034 0.527 395 1HG PRO 50 2HG PRO 50 -0.363 -12.723 2.210 396 2HG PRO 50 1HG PRO 50 0.482 -12.905 0.667 397 1HD PRO 50 2HD PRO 50 -2.031 -11.550 1.222 398 2HD PRO 50 1HD PRO 50 -1.053 -11.523 -0.252 399 H LYS 51 HN LYS 51 -2.904 -13.267 2.548 400 HA LYS 51 HA LYS 51 -5.151 -15.158 3.126 401 1HB LYS 51 2HB LYS 51 -2.910 -14.868 4.657 402 2HB LYS 51 1HB LYS 51 -3.969 -13.665 5.392 403 1HG LYS 51 2HG LYS 51 -4.861 -15.398 6.547 404 2HG LYS 51 1HG LYS 51 -5.664 -15.822 5.035 405 1HD LYS 51 2HD LYS 51 -3.509 -17.108 4.454 406 2HD LYS 51 1HD LYS 51 -3.093 -16.936 6.160 407 1HE LYS 51 2HE LYS 51 -4.923 -18.230 6.868 408 2HE LYS 51 1HE LYS 51 -5.789 -18.004 5.348 409 1HZ LYS 51 1HE LYS 51 -4.463 -20.208 5.903 410 2HZ LYS 51 2HE LYS 51 -3.188 -19.321 5.215 411 3HZ LYS 51 3HE LYS 51 -4.603 -19.613 4.321 412 H ARG 52 HN ARG 52 -6.835 -13.902 2.312 413 HA ARG 52 HA ARG 52 -7.251 -11.283 3.689 414 1HB ARG 52 2HB ARG 52 -8.406 -10.558 1.524 415 2HB ARG 52 1HB ARG 52 -6.648 -10.676 1.457 416 1HG ARG 52 2HG ARG 52 -6.718 -12.339 -0.075 417 2HG ARG 52 1HG ARG 52 -7.958 -13.216 0.822 418 1HD ARG 52 2HD ARG 52 -9.712 -11.985 -0.180 419 2HD ARG 52 1HD ARG 52 -8.618 -10.731 -0.758 420 HE ARG 52 HE ARG 52 -7.656 -12.628 -2.248 421 1HH1 ARG 52 1HH1 ARG 52 -10.962 -12.457 -1.167 422 2HH1 ARG 52 2HH1 ARG 52 -11.563 -13.354 -2.517 423 1HH2 ARG 52 1HH2 ARG 52 -8.462 -13.788 -3.987 424 2HH2 ARG 52 2HH2 ARG 52 -10.162 -14.101 -4.102 425 HA PRO 53 HA PRO 53 -8.797 -9.769 3.671 426 1HB PRO 53 2HB PRO 53 -10.622 -9.118 5.693 427 2HB PRO 53 1HB PRO 53 -10.835 -8.814 3.963 428 1HG PRO 53 2HG PRO 53 -12.275 -10.646 5.624 429 2HG PRO 53 1HG PRO 53 -12.491 -10.330 3.896 430 1HD PRO 53 2HD PRO 53 -11.163 -12.585 5.203 431 2HD PRO 53 1HD PRO 53 -11.687 -12.416 3.520 432 H LEU 54 HN LEU 54 -8.129 -8.491 5.713 433 HA LEU 54 HA LEU 54 -6.659 -10.338 7.477 434 1HB LEU 54 2HB LEU 54 -6.639 -7.337 7.115 435 2HB LEU 54 1HB LEU 54 -5.727 -8.137 8.397 436 HG LEU 54 HG LEU 54 -5.378 -9.357 5.736 437 1HD1 LEU 54 1HD1 LEU 54 -4.983 -7.459 4.587 438 2HD1 LEU 54 2HD1 LEU 54 -3.601 -7.183 5.647 439 3HD1 LEU 54 3HD1 LEU 54 -5.167 -6.475 6.039 440 1HD2 LEU 54 1HD2 LEU 54 -3.081 -8.289 7.256 441 2HD2 LEU 54 2HD2 LEU 54 -3.361 -9.917 6.639 442 3HD2 LEU 54 3HD2 LEU 54 -4.094 -9.413 8.162 443 HA PRO 55 HA PRO 55 -9.449 -10.020 10.909 444 1HB PRO 55 2HB PRO 55 -7.534 -10.505 12.903 445 2HB PRO 55 1HB PRO 55 -8.463 -11.727 12.025 446 1HG PRO 55 2HG PRO 55 -5.657 -11.169 11.856 447 2HG PRO 55 1HG PRO 55 -6.582 -12.423 11.019 448 1HD PRO 55 2HD PRO 55 -5.553 -9.914 9.971 449 2HD PRO 55 1HD PRO 55 -6.271 -11.277 9.098 450 H GLU 56 HN GLU 56 -10.083 -8.530 12.493 451 HA GLU 56 HA GLU 56 -10.176 -6.393 13.472 452 1HB GLU 56 2HB GLU 56 -7.586 -7.636 14.203 453 2HB GLU 56 1HB GLU 56 -7.701 -5.898 14.480 454 1HG GLU 56 HG2 GLU 56 -10.154 -6.992 15.370 455 2HG GLU 56 HG1 GLU 56 -8.890 -8.051 15.995 456 H ARG 57 HN ARG 57 -9.465 -6.450 10.607 457 HA ARG 57 HA ARG 57 -8.192 -3.766 10.505 458 1HB ARG 57 2HB ARG 57 -7.180 -6.271 9.226 459 2HB ARG 57 1HB ARG 57 -7.054 -4.769 8.311 460 1HG ARG 57 2HG ARG 57 -5.249 -4.191 9.521 461 2HG ARG 57 1HG ARG 57 -6.236 -4.198 10.981 462 1HD ARG 57 2HD ARG 57 -5.694 -6.916 10.293 463 2HD ARG 57 1HD ARG 57 -4.170 -6.033 10.235 464 HE ARG 57 HE ARG 57 -5.322 -5.187 12.604 465 1HH1 ARG 57 1HH2 ARG 57 -4.575 -8.261 11.171 466 2HH1 ARG 57 2HH2 ARG 57 -4.332 -9.043 12.695 467 1HH2 ARG 57 1HH1 ARG 57 -4.999 -6.213 14.576 468 2HH2 ARG 57 2HH1 ARG 57 -4.574 -7.891 14.614 469 H THR 58 HN THR 58 -9.052 -2.459 8.894 470 HA THR 58 HA THR 58 -11.435 -3.537 7.505 471 HB THR 58 HB THR 58 -10.455 -0.680 7.433 472 HG1 THR 58 HG1 THR 58 -10.771 -0.693 9.500 473 1HG2 THR 58 1HG2 THR 58 -12.656 -2.069 6.322 474 2HG2 THR 58 2HG2 THR 58 -12.387 -0.326 6.341 475 3HG2 THR 58 3HG2 THR 58 -13.300 -1.090 7.641 476 H ASN 59 HN ASN 59 -11.335 -4.117 5.393 477 HA ASN 59 HA ASN 59 -9.073 -3.037 3.755 478 1HB ASN 59 2HB ASN 59 -10.274 -5.801 3.900 479 2HB ASN 59 1HB ASN 59 -9.402 -5.263 2.463 480 1HD2 ASN 59 1HD2 ASN 59 -8.958 -5.322 6.050 481 2HD2 ASN 59 2HD2 ASN 59 -7.295 -5.652 5.981 482 H VAL 60 HN VAL 60 -9.673 -2.050 1.847 483 HA VAL 60 HA VAL 60 -12.530 -2.346 1.006 484 HB VAL 60 HB VAL 60 -10.700 0.009 0.470 485 1HG1 VAL 60 1HG1 VAL 60 -13.504 -0.729 -0.152 486 2HG1 VAL 60 2HG1 VAL 60 -12.399 0.335 -1.022 487 3HG1 VAL 60 3HG1 VAL 60 -13.260 0.929 0.398 488 1HG2 VAL 60 1HG2 VAL 60 -11.092 -0.296 2.922 489 2HG2 VAL 60 2HG2 VAL 60 -12.829 -0.255 2.622 490 3HG2 VAL 60 3HG2 VAL 60 -11.847 1.169 2.295 491 H VAL 61 HN VAL 61 -12.834 -3.039 -1.116 492 HA VAL 61 HA VAL 61 -10.365 -3.426 -2.733 493 HB VAL 61 HB VAL 61 -13.106 -4.594 -3.274 494 1HG1 VAL 61 1HG1 VAL 61 -12.027 -5.960 -4.805 495 2HG1 VAL 61 2HG1 VAL 61 -10.485 -5.873 -3.953 496 3HG1 VAL 61 3HG1 VAL 61 -11.030 -4.511 -4.931 497 1HG2 VAL 61 1HG2 VAL 61 -10.837 -5.893 -1.734 498 2HG2 VAL 61 2HG2 VAL 61 -12.434 -6.574 -2.046 499 3HG2 VAL 61 3HG2 VAL 61 -12.261 -5.187 -0.970 500 H LEU 62 HN LEU 62 -10.302 -2.661 -4.896 501 HA LEU 62 HA LEU 62 -12.442 -0.682 -5.581 502 1HB LEU 62 2HB LEU 62 -9.574 -0.369 -5.354 503 2HB LEU 62 1HB LEU 62 -10.078 -0.051 -7.014 504 HG LEU 62 HG LEU 62 -11.922 1.422 -6.005 505 1HD1 LEU 62 1HD1 LEU 62 -11.338 0.342 -3.663 506 2HD1 LEU 62 2HD1 LEU 62 -11.824 2.035 -3.761 507 3HD1 LEU 62 3HD1 LEU 62 -10.120 1.616 -3.618 508 1HD2 LEU 62 1HD2 LEU 62 -9.387 1.997 -6.848 509 2HD2 LEU 62 2HD2 LEU 62 -9.346 2.657 -5.214 510 3HD2 LEU 62 3HD2 LEU 62 -10.558 3.223 -6.363 511 H THR 63 HN THR 63 -13.585 -1.336 -7.361 512 HA THR 63 HA THR 63 -12.121 -2.588 -9.601 513 HB THR 63 HB THR 63 -12.844 -4.487 -8.162 514 HG1 THR 63 HG1 THR 63 -12.891 -4.498 -10.550 515 1HG2 THR 63 1HG2 THR 63 -15.036 -4.817 -7.492 516 2HG2 THR 63 2HG2 THR 63 -15.695 -3.881 -8.832 517 3HG2 THR 63 3HG2 THR 63 -14.959 -3.056 -7.458 518 H HIS 64 HN HIS 64 -13.449 -2.641 -11.571 519 HA HIS 64 HA HIS 64 -15.391 -0.402 -11.594 520 1HB HIS 64 2HB HIS 64 -13.735 -1.805 -13.670 521 2HB HIS 64 1HB HIS 64 -15.174 -0.916 -14.169 522 HD1 HIS 64 HD1 HIS 64 -15.247 1.642 -12.986 523 HD2 HIS 64 HD2 HIS 64 -11.531 -0.159 -13.555 524 HE1 HIS 64 HE1 HIS 64 -13.529 3.502 -12.901 525 H GLN 65 HN GLN 65 -15.761 -3.479 -10.834 526 HA GLN 65 HA GLN 65 -17.771 -4.329 -12.770 527 1HB GLN 65 2HB GLN 65 -16.631 -5.402 -10.218 528 2HB GLN 65 1HB GLN 65 -18.192 -6.019 -10.760 529 1HG GLN 65 2HG GLN 65 -16.883 -7.470 -11.951 530 2HG GLN 65 1HG GLN 65 -16.822 -6.127 -13.093 531 1HE2 GLN 65 1HE2 GLN 65 -14.895 -4.633 -12.888 532 2HE2 GLN 65 2HE2 GLN 65 -13.437 -5.258 -12.283 533 H GLU 66 HN GLU 66 -19.952 -5.139 -11.552 534 HA GLU 66 HA GLU 66 -20.949 -2.779 -10.004 535 1HB GLU 66 2HB GLU 66 -22.016 -4.148 -12.406 536 2HB GLU 66 1HB GLU 66 -23.207 -3.752 -11.166 537 1HG GLU 66 HG2 GLU 66 -21.961 -1.415 -11.171 538 2HG GLU 66 HG1 GLU 66 -21.485 -1.917 -12.794 539 H ASP 67 HN ASP 67 -20.944 -6.278 -10.363 540 HA ASP 67 HA ASP 67 -22.651 -6.469 -7.917 541 1HB ASP 67 2HB ASP 67 -23.216 -7.656 -10.213 542 2HB ASP 67 1HB ASP 67 -22.043 -8.843 -9.640 543 H TYR 68 HN TYR 68 -19.813 -5.867 -7.765 544 HA TYR 68 HA TYR 68 -18.239 -8.200 -7.250 545 1HB TYR 68 2HB TYR 68 -17.531 -5.684 -7.413 546 2HB TYR 68 1HB TYR 68 -17.883 -5.652 -5.685 547 HD1 TYR 68 HD1 TYR 68 -15.729 -7.094 -8.312 548 HD2 TYR 68 HD2 TYR 68 -16.532 -6.906 -4.096 549 HE1 TYR 68 HE1 TYR 68 -13.544 -8.170 -7.847 550 HE2 TYR 68 HE2 TYR 68 -14.346 -7.980 -3.631 551 HH TYR 68 HH TYR 68 -12.170 -8.267 -4.730 552 H GLN 69 HN GLN 69 -18.635 -9.716 -5.713 553 HA GLN 69 HA GLN 69 -20.212 -8.909 -3.314 554 1HB GLN 69 2HB GLN 69 -19.625 -11.675 -4.413 555 2HB GLN 69 1HB GLN 69 -20.671 -11.310 -3.039 556 1HG GLN 69 2HG GLN 69 -21.574 -9.646 -5.126 557 2HG GLN 69 1HG GLN 69 -21.286 -11.219 -5.871 558 1HE2 GLN 69 1HE2 GLN 69 -23.832 -9.646 -4.817 559 2HE2 GLN 69 2HE2 GLN 69 -24.679 -10.853 -3.977 560 H ALA 70 HN ALA 70 -18.860 -8.327 -1.678 561 HA ALA 70 HA ALA 70 -16.654 -10.215 -0.993 562 1HB ALA 70 1HB ALA 70 -16.217 -7.319 -0.454 563 2HB ALA 70 2HB ALA 70 -16.082 -7.843 -2.133 564 3HB ALA 70 3HB ALA 70 -15.053 -8.568 -0.896 565 H GLN 71 HN GLN 71 -18.182 -11.021 0.612 566 HA GLN 71 HA GLN 71 -19.303 -9.262 2.624 567 1HB GLN 71 2HB GLN 71 -18.934 -12.264 2.481 568 2HB GLN 71 1HB GLN 71 -19.705 -11.459 3.849 569 1HG GLN 71 2HG GLN 71 -21.610 -11.039 2.686 570 2HG GLN 71 1HG GLN 71 -20.730 -10.609 1.219 571 1HE2 GLN 71 1HE2 GLN 71 -19.863 -12.493 -0.094 572 2HE2 GLN 71 2HE2 GLN 71 -20.704 -13.966 -0.052 573 H GLY 72 HN GLY 72 -18.228 -8.397 4.322 574 1HA GLY 72 2HA GLY 72 -16.820 -8.738 6.312 575 2HA GLY 72 1HA GLY 72 -15.829 -9.842 5.357 576 H ALA 73 HN ALA 73 -15.644 -8.194 2.991 577 HA ALA 73 HA ALA 73 -13.861 -6.062 4.076 578 1HB ALA 73 1HB ALA 73 -13.091 -6.302 1.490 579 2HB ALA 73 2HB ALA 73 -13.684 -7.938 1.781 580 3HB ALA 73 3HB ALA 73 -12.402 -7.271 2.792 581 H VAL 74 HN VAL 74 -14.116 -3.987 3.389 582 HA VAL 74 HA VAL 74 -16.637 -3.090 2.397 583 HB VAL 74 HB VAL 74 -14.004 -1.608 2.186 584 1HG1 VAL 74 1HG1 VAL 74 -15.448 -0.164 1.159 585 2HG1 VAL 74 2HG1 VAL 74 -15.909 0.224 2.817 586 3HG1 VAL 74 3HG1 VAL 74 -16.871 -0.918 1.877 587 1HG2 VAL 74 1HG2 VAL 74 -14.154 -2.308 4.461 588 2HG2 VAL 74 2HG2 VAL 74 -15.895 -2.030 4.508 589 3HG2 VAL 74 3HG2 VAL 74 -14.784 -0.661 4.443 590 H VAL 75 HN VAL 75 -17.232 -2.305 0.283 591 HA VAL 75 HA VAL 75 -15.365 -3.068 -1.920 592 HB VAL 75 HB VAL 75 -18.362 -3.542 -1.891 593 1HG1 VAL 75 1HG1 VAL 75 -16.246 -3.650 -3.947 594 2HG1 VAL 75 2HG1 VAL 75 -17.992 -3.486 -4.135 595 3HG1 VAL 75 3HG1 VAL 75 -17.278 -5.079 -3.883 596 1HG2 VAL 75 1HG2 VAL 75 -17.773 -5.932 -1.759 597 2HG2 VAL 75 2HG2 VAL 75 -17.154 -5.066 -0.353 598 3HG2 VAL 75 3HG2 VAL 75 -16.063 -5.512 -1.666 599 H VAL 76 HN VAL 76 -15.071 -1.384 -3.329 600 HA VAL 76 HA VAL 76 -17.263 0.593 -3.677 601 HB VAL 76 HB VAL 76 -15.581 2.448 -3.480 602 1HG1 VAL 76 1HG1 VAL 76 -15.443 1.012 -0.874 603 2HG1 VAL 76 2HG1 VAL 76 -17.051 1.293 -1.542 604 3HG1 VAL 76 3HG1 VAL 76 -15.977 2.656 -1.226 605 1HG2 VAL 76 1HG2 VAL 76 -13.553 1.152 -3.885 606 2HG2 VAL 76 2HG2 VAL 76 -13.856 0.172 -2.452 607 3HG2 VAL 76 3HG2 VAL 76 -13.456 1.881 -2.282 608 H HIS 77 HN HIS 77 -16.961 1.896 -5.663 609 HA HIS 77 HA HIS 77 -14.977 0.731 -7.567 610 1HB HIS 77 2HB HIS 77 -17.817 1.398 -8.359 611 2HB HIS 77 1HB HIS 77 -16.623 0.473 -9.269 612 HD1 HIS 77 HD1 HIS 77 -16.246 -1.984 -8.601 613 HD2 HIS 77 HD2 HIS 77 -19.082 -0.053 -6.240 614 HE1 HIS 77 HE1 HIS 77 -17.388 -3.786 -7.238 615 H ASP 78 HN ASP 78 -15.056 3.310 -6.062 616 HA ASP 78 HA ASP 78 -14.420 5.042 -8.297 617 1HB ASP 78 2HB ASP 78 -17.080 4.997 -7.824 618 2HB ASP 78 1HB ASP 78 -16.597 6.246 -6.676 619 H VAL 79 HN VAL 79 -12.614 5.945 -7.469 620 HA VAL 79 HA VAL 79 -11.720 6.114 -4.875 621 HB VAL 79 HB VAL 79 -11.383 8.162 -7.083 622 1HG1 VAL 79 1HG1 VAL 79 -9.203 8.568 -5.630 623 2HG1 VAL 79 2HG1 VAL 79 -10.235 7.994 -4.320 624 3HG1 VAL 79 3HG1 VAL 79 -10.701 9.416 -5.251 625 1HG2 VAL 79 1HG2 VAL 79 -9.184 6.380 -6.202 626 2HG2 VAL 79 2HG2 VAL 79 -9.661 6.859 -7.830 627 3HG2 VAL 79 3HG2 VAL 79 -10.537 5.576 -6.996 628 H ALA 80 HN ALA 80 -14.052 8.315 -6.388 629 HA ALA 80 HA ALA 80 -14.122 10.327 -4.388 630 1HB ALA 80 1HB ALA 80 -15.419 10.952 -6.182 631 2HB ALA 80 2HB ALA 80 -16.699 10.301 -5.157 632 3HB ALA 80 3HB ALA 80 -16.019 9.315 -6.452 633 H ALA 81 HN ALA 81 -15.757 7.193 -4.564 634 HA ALA 81 HA ALA 81 -17.382 7.543 -2.218 635 1HB ALA 81 1HB ALA 81 -17.849 5.219 -2.393 636 2HB ALA 81 2HB ALA 81 -16.319 4.893 -3.208 637 3HB ALA 81 3HB ALA 81 -17.604 5.755 -4.055 638 H VAL 82 HN VAL 82 -14.187 5.995 -2.714 639 HA VAL 82 HA VAL 82 -13.789 5.154 -0.030 640 HB VAL 82 HB VAL 82 -11.512 6.210 -1.698 641 1HG1 VAL 82 1HG1 VAL 82 -10.288 5.032 -0.221 642 2HG1 VAL 82 2HG1 VAL 82 -11.224 3.574 -0.543 643 3HG1 VAL 82 3HG1 VAL 82 -11.766 4.716 0.686 644 1HG2 VAL 82 1HG2 VAL 82 -11.573 3.768 -2.662 645 2HG2 VAL 82 2HG2 VAL 82 -12.596 5.007 -3.389 646 3HG2 VAL 82 3HG2 VAL 82 -13.287 3.846 -2.256 647 H PHE 83 HN PHE 83 -12.945 8.235 -1.614 648 HA PHE 83 HA PHE 83 -11.699 9.465 0.630 649 1HB PHE 83 2HB PHE 83 -13.034 10.431 -1.864 650 2HB PHE 83 1HB PHE 83 -12.751 11.606 -0.581 651 HD1 PHE 83 HD1 PHE 83 -11.326 10.013 -3.399 652 HD2 PHE 83 HD2 PHE 83 -10.328 11.536 0.490 653 HE1 PHE 83 HE1 PHE 83 -8.949 10.197 -4.080 654 HE2 PHE 83 HE2 PHE 83 -7.951 11.717 -0.191 655 HZ PHE 83 HZ PHE 83 -7.262 11.049 -2.476 656 H ALA 84 HN ALA 84 -15.068 8.923 -0.150 657 HA ALA 84 HA ALA 84 -16.090 10.837 1.794 658 1HB ALA 84 1HB ALA 84 -17.741 8.538 0.830 659 2HB ALA 84 2HB ALA 84 -17.228 9.746 -0.348 660 3HB ALA 84 3HB ALA 84 -18.192 10.229 1.047 661 H TYR 85 HN TYR 85 -14.957 7.537 1.950 662 HA TYR 85 HA TYR 85 -16.465 6.864 4.352 663 1HB TYR 85 2HB TYR 85 -15.306 5.298 2.556 664 2HB TYR 85 1HB TYR 85 -13.902 5.495 3.605 665 HD1 TYR 85 HD1 TYR 85 -17.594 5.122 4.204 666 HD2 TYR 85 HD2 TYR 85 -13.635 3.681 5.041 667 HE1 TYR 85 HE1 TYR 85 -18.533 3.455 5.781 668 HE2 TYR 85 HE2 TYR 85 -14.574 2.015 6.618 669 HH TYR 85 HH TYR 85 -16.643 0.883 7.077 670 H ALA 86 HN ALA 86 -13.019 7.600 3.706 671 HA ALA 86 HA ALA 86 -12.137 7.660 6.386 672 1HB ALA 86 1HB ALA 86 -10.677 9.677 5.193 673 2HB ALA 86 2HB ALA 86 -11.203 8.720 3.808 674 3HB ALA 86 3HB ALA 86 -10.286 7.960 5.109 675 H LYS 87 HN LYS 87 -13.643 10.220 4.434 676 HA LYS 87 HA LYS 87 -13.427 12.293 6.404 677 1HB LYS 87 2HB LYS 87 -14.580 11.973 3.810 678 2HB LYS 87 1HB LYS 87 -15.833 12.612 4.874 679 1HG LYS 87 2HG LYS 87 -14.856 14.617 4.387 680 2HG LYS 87 1HG LYS 87 -13.717 14.136 5.645 681 1HD LYS 87 2HD LYS 87 -12.116 13.387 4.073 682 2HD LYS 87 1HD LYS 87 -13.300 13.332 2.767 683 1HE LYS 87 2HE LYS 87 -13.534 15.887 3.156 684 2HE LYS 87 1HE LYS 87 -12.008 15.745 4.029 685 1HZ LYS 87 1HE LYS 87 -12.561 15.186 1.183 686 2HZ LYS 87 2HE LYS 87 -11.204 14.523 1.960 687 3HZ LYS 87 3HE LYS 87 -11.385 16.209 1.853 688 H GLN 88 HN GLN 88 -15.659 9.620 5.969 689 HA GLN 88 HA GLN 88 -17.572 10.686 7.922 690 1HB GLN 88 2HB GLN 88 -17.715 8.838 5.849 691 2HB GLN 88 1HB GLN 88 -17.819 7.841 7.300 692 1HG GLN 88 2HG GLN 88 -20.062 8.450 6.868 693 2HG GLN 88 1HG GLN 88 -19.552 9.573 8.129 694 1HE2 GLN 88 1HE2 GLN 88 -19.433 9.410 4.515 695 2HE2 GLN 88 2HE2 GLN 88 -19.860 11.037 4.288 696 H HIS 89 HN HIS 89 -14.846 8.423 7.948 697 HA HIS 89 HA HIS 89 -15.576 7.451 10.631 698 1HB HIS 89 2HB HIS 89 -13.606 6.728 8.534 699 2HB HIS 89 1HB HIS 89 -13.105 6.436 10.199 700 HD1 HIS 89 HD1 HIS 89 -14.436 4.679 11.566 701 HD2 HIS 89 HD2 HIS 89 -15.795 5.127 7.651 702 HE1 HIS 89 HE1 HIS 89 -16.008 2.742 11.128 703 HA PRO 90 HA PRO 90 -13.031 10.731 12.454 704 1HB PRO 90 2HB PRO 90 -14.146 10.404 14.964 705 2HB PRO 90 1HB PRO 90 -14.809 11.444 13.695 706 1HG PRO 90 2HG PRO 90 -15.901 8.999 14.769 707 2HG PRO 90 1HG PRO 90 -16.623 10.117 13.603 708 1HD PRO 90 2HD PRO 90 -15.319 7.549 13.115 709 2HD PRO 90 1HD PRO 90 -16.301 8.533 12.016 710 H ASP 91 HN ASP 91 -12.901 7.433 12.780 711 HA ASP 91 HA ASP 91 -10.545 7.624 14.596 712 1HB ASP 91 2HB ASP 91 -12.974 5.897 14.939 713 2HB ASP 91 1HB ASP 91 -11.404 5.278 15.452 714 H GLN 92 HN GLN 92 -11.443 6.986 11.613 715 HA GLN 92 HA GLN 92 -9.345 4.933 11.220 716 1HB GLN 92 2HB GLN 92 -11.719 3.886 11.376 717 2HB GLN 92 1HB GLN 92 -12.012 4.669 9.824 718 1HG GLN 92 2HG GLN 92 -10.071 3.506 8.860 719 2HG GLN 92 1HG GLN 92 -9.757 2.736 10.410 720 1HE2 GLN 92 1HE2 GLN 92 -11.528 1.269 11.260 721 2HE2 GLN 92 2HE2 GLN 92 -12.525 0.468 10.143 722 H GLU 93 HN GLU 93 -7.976 6.115 9.829 723 HA GLU 93 HA GLU 93 -9.171 8.086 8.029 724 1HB GLU 93 2HB GLU 93 -6.422 7.329 8.926 725 2HB GLU 93 1HB GLU 93 -6.581 8.175 7.389 726 1HG GLU 93 HG2 GLU 93 -8.095 9.828 8.681 727 2HG GLU 93 HG1 GLU 93 -7.401 9.110 10.135 728 H LEU 94 HN LEU 94 -7.421 7.900 5.875 729 HA LEU 94 HA LEU 94 -8.383 5.396 4.564 730 1HB LEU 94 2HB LEU 94 -8.879 7.898 3.746 731 2HB LEU 94 1HB LEU 94 -7.317 7.675 2.967 732 HG LEU 94 HG LEU 94 -8.294 5.410 2.148 733 1HD1 LEU 94 1HD1 LEU 94 -10.612 6.733 3.421 734 2HD1 LEU 94 2HD1 LEU 94 -10.344 5.026 3.070 735 3HD1 LEU 94 3HD1 LEU 94 -10.920 6.107 1.801 736 1HD2 LEU 94 1HD2 LEU 94 -9.648 6.812 0.346 737 2HD2 LEU 94 2HD2 LEU 94 -7.892 6.946 0.449 738 3HD2 LEU 94 3HD2 LEU 94 -8.916 8.180 1.183 739 H VAL 95 HN VAL 95 -6.820 3.884 4.279 740 HA VAL 95 HA VAL 95 -4.011 4.841 3.882 741 HB VAL 95 HB VAL 95 -4.936 2.258 5.188 742 1HG1 VAL 95 1HG1 VAL 95 -2.909 1.559 4.409 743 2HG1 VAL 95 2HG1 VAL 95 -2.279 2.522 5.746 744 3HG1 VAL 95 3HG1 VAL 95 -2.343 3.204 4.121 745 1HG2 VAL 95 1HG2 VAL 95 -3.814 3.272 7.197 746 2HG2 VAL 95 2HG2 VAL 95 -5.249 4.155 6.675 747 3HG2 VAL 95 3HG2 VAL 95 -3.643 4.772 6.285 748 H ILE 96 HN ILE 96 -3.195 4.329 1.925 749 HA ILE 96 HA ILE 96 -4.755 2.583 0.144 750 HB ILE 96 HB ILE 96 -2.176 4.047 -0.464 751 1HG1 ILE 96 2HG1 ILE 96 -3.893 5.604 0.441 752 2HG1 ILE 96 1HG1 ILE 96 -3.586 5.892 -1.270 753 1HG2 ILE 96 1HG2 ILE 96 -2.543 2.671 -2.286 754 2HG2 ILE 96 2HG2 ILE 96 -3.535 4.050 -2.758 755 3HG2 ILE 96 3HG2 ILE 96 -4.288 2.628 -2.036 756 1HD1 ILE 96 1HD1 ILE 96 -6.033 5.858 -0.630 757 2HD1 ILE 96 2HD1 ILE 96 -5.842 4.145 -0.258 758 3HD1 ILE 96 3HD1 ILE 96 -5.591 4.722 -1.905 759 H ALA 97 HN ALA 97 -3.858 0.766 -0.944 760 HA ALA 97 HA ALA 97 -1.375 -0.357 0.269 761 1HB ALA 97 1HB ALA 97 -2.921 -2.567 -0.408 762 2HB ALA 97 2HB ALA 97 -4.085 -1.451 0.307 763 3HB ALA 97 3HB ALA 97 -2.664 -1.950 1.223 764 H GLY 98 HN GLY 98 -2.865 0.724 -2.473 765 1HA GLY 98 2HA GLY 98 -1.783 0.717 -4.612 766 2HA GLY 98 1HA GLY 98 -0.956 -0.772 -4.167 767 H GLY 99 HN GLY 99 -3.253 -2.177 -6.517 768 1HA GLY 99 2HA GLY 99 -0.513 -1.724 -5.739 769 2HA GLY 99 1HA GLY 99 -1.068 -2.240 -7.325 770 H ALA 100 HN ALA 100 0.096 -0.849 -8.611 771 HA ALA 100 HA ALA 100 0.572 1.921 -8.053 772 1HB ALA 100 1HB ALA 100 0.783 0.159 -10.461 773 2HB ALA 100 2HB ALA 100 2.024 1.136 -9.676 774 3HB ALA 100 3HB ALA 100 0.817 1.905 -10.707 775 H GLN 101 HN GLN 101 -2.051 0.223 -9.648 776 HA GLN 101 HA GLN 101 -3.292 2.408 -10.948 777 1HB GLN 101 2HB GLN 101 -4.026 -0.291 -10.166 778 2HB GLN 101 1HB GLN 101 -5.383 0.812 -9.946 779 1HG GLN 101 2HG GLN 101 -5.749 0.771 -12.165 780 2HG GLN 101 1HG GLN 101 -4.162 1.493 -12.424 781 1HE2 GLN 101 1HE2 GLN 101 -2.423 0.098 -13.092 782 2HE2 GLN 101 2HE2 GLN 101 -2.665 -1.534 -13.489 783 H ILE 102 HN ILE 102 -3.698 1.239 -7.562 784 HA ILE 102 HA ILE 102 -5.592 3.344 -6.951 785 HB ILE 102 HB ILE 102 -3.949 1.689 -5.018 786 1HG1 ILE 102 2HG1 ILE 102 -5.118 0.233 -6.648 787 2HG1 ILE 102 1HG1 ILE 102 -5.835 0.099 -5.044 788 1HG2 ILE 102 1HG2 ILE 102 -5.094 3.534 -3.949 789 2HG2 ILE 102 2HG2 ILE 102 -5.983 2.056 -3.582 790 3HG2 ILE 102 3HG2 ILE 102 -6.588 3.165 -4.812 791 1HD1 ILE 102 1HD1 ILE 102 -6.899 1.924 -7.217 792 2HD1 ILE 102 2HD1 ILE 102 -7.657 1.570 -5.665 793 3HD1 ILE 102 3HD1 ILE 102 -7.529 0.310 -6.893 794 H PHE 103 HN PHE 103 -2.066 3.069 -6.838 795 HA PHE 103 HA PHE 103 -1.719 5.325 -5.057 796 1HB PHE 103 2HB PHE 103 0.144 3.962 -7.025 797 2HB PHE 103 1HB PHE 103 0.643 5.267 -5.952 798 HD1 PHE 103 HD1 PHE 103 1.245 2.053 -6.205 799 HD2 PHE 103 HD2 PHE 103 -0.856 4.619 -3.473 800 HE1 PHE 103 HE1 PHE 103 1.611 0.413 -4.381 801 HE2 PHE 103 HE2 PHE 103 -0.492 2.977 -1.651 802 HZ PHE 103 HZ PHE 103 0.742 0.875 -2.104 803 H THR 104 HN THR 104 -2.461 4.958 -8.414 804 HA THR 104 HA THR 104 -1.408 7.560 -9.228 805 HB THR 104 HB THR 104 -3.499 6.049 -10.767 806 HG1 THR 104 HG1 THR 104 -0.743 5.420 -10.790 807 1HG2 THR 104 1HG2 THR 104 -2.459 8.284 -11.467 808 2HG2 THR 104 2HG2 THR 104 -2.396 6.983 -12.656 809 3HG2 THR 104 3HG2 THR 104 -0.961 7.386 -11.713 810 H ALA 105 HN ALA 105 -4.719 6.223 -8.853 811 HA ALA 105 HA ALA 105 -6.009 8.760 -9.237 812 1HB ALA 105 1HB ALA 105 -7.142 6.498 -7.589 813 2HB ALA 105 2HB ALA 105 -7.052 6.418 -9.350 814 3HB ALA 105 3HB ALA 105 -8.012 7.676 -8.572 815 H PHE 106 HN PHE 106 -4.488 7.334 -6.436 816 HA PHE 106 HA PHE 106 -5.770 9.352 -4.662 817 1HB PHE 106 2HB PHE 106 -4.241 6.808 -4.176 818 2HB PHE 106 1HB PHE 106 -4.502 7.972 -2.878 819 HD1 PHE 106 HD1 PHE 106 -6.753 8.452 -2.045 820 HD2 PHE 106 HD2 PHE 106 -6.101 5.561 -5.147 821 HE1 PHE 106 HE1 PHE 106 -9.035 7.556 -1.689 822 HE2 PHE 106 HE2 PHE 106 -8.383 4.664 -4.795 823 HZ PHE 106 HZ PHE 106 -9.850 5.661 -3.064 824 H LYS 107 HN LYS 107 -2.743 8.796 -6.248 825 HA LYS 107 HA LYS 107 -0.968 9.979 -4.376 826 1HB LYS 107 2HB LYS 107 0.387 10.660 -6.438 827 2HB LYS 107 1HB LYS 107 0.050 8.942 -6.240 828 1HG LYS 107 2HG LYS 107 -1.590 8.945 -7.907 829 2HG LYS 107 1HG LYS 107 -1.806 10.692 -7.835 830 1HD LYS 107 2HD LYS 107 0.883 10.407 -8.476 831 2HD LYS 107 1HD LYS 107 0.108 9.119 -9.399 832 1HE LYS 107 2HE LYS 107 -0.073 10.922 -10.870 833 2HE LYS 107 1HE LYS 107 -1.622 10.993 -10.030 834 1HZ LYS 107 1HE LYS 107 -1.038 12.847 -8.903 835 2HZ LYS 107 2HE LYS 107 -0.035 13.082 -10.254 836 3HZ LYS 107 3HE LYS 107 0.606 12.434 -8.820 837 H ASP 108 HN ASP 108 -3.233 11.578 -6.623 838 HA ASP 108 HA ASP 108 -2.099 14.190 -6.411 839 1HB ASP 108 2HB ASP 108 -3.984 13.286 -7.971 840 2HB ASP 108 1HB ASP 108 -5.061 13.700 -6.637 841 H ASP 109 HN ASP 109 -4.440 12.448 -4.390 842 HA ASP 109 HA ASP 109 -4.312 14.721 -2.443 843 1HB ASP 109 2HB ASP 109 -6.497 12.811 -3.200 844 2HB ASP 109 1HB ASP 109 -6.455 13.446 -1.555 845 H VAL 110 HN VAL 110 -2.314 13.797 -1.525 846 HA VAL 110 HA VAL 110 -2.774 11.246 -0.036 847 HB VAL 110 HB VAL 110 -0.086 12.542 -0.484 848 1HG1 VAL 110 1HG1 VAL 110 -1.153 9.902 0.429 849 2HG1 VAL 110 2HG1 VAL 110 0.198 10.844 1.058 850 3HG1 VAL 110 3HG1 VAL 110 0.385 9.923 -0.434 851 1HG2 VAL 110 1HG2 VAL 110 -1.808 11.103 -2.423 852 2HG2 VAL 110 2HG2 VAL 110 -0.144 10.528 -2.318 853 3HG2 VAL 110 3HG2 VAL 110 -0.468 12.215 -2.709 854 H ASP 111 HN ASP 111 -1.950 11.170 2.172 855 HA ASP 111 HA ASP 111 -1.693 13.867 3.437 856 1HB ASP 111 2HB ASP 111 -3.816 12.133 3.789 857 2HB ASP 111 1HB ASP 111 -2.772 11.736 5.153 858 H THR 112 HN THR 112 -0.824 10.437 3.511 859 HA THR 112 HA THR 112 1.724 11.158 4.825 860 HB THR 112 HB THR 112 -0.089 9.020 5.976 861 HG1 THR 112 HG1 THR 112 -0.952 10.944 6.558 862 1HG2 THR 112 1HG2 THR 112 2.400 10.230 7.183 863 2HG2 THR 112 2HG2 THR 112 2.467 8.812 6.136 864 3HG2 THR 112 3HG2 THR 112 1.568 8.747 7.652 865 H LEU 113 HN LEU 113 3.361 9.960 3.945 866 HA LEU 113 HA LEU 113 2.573 7.625 2.260 867 1HB LEU 113 2HB LEU 113 5.118 9.275 2.214 868 2HB LEU 113 1HB LEU 113 4.729 7.958 1.111 869 HG LEU 113 HG LEU 113 2.830 10.270 1.414 870 1HD1 LEU 113 1HD1 LEU 113 4.853 11.425 0.903 871 2HD1 LEU 113 2HD1 LEU 113 4.033 11.217 -0.644 872 3HD1 LEU 113 3HD1 LEU 113 5.380 10.163 -0.210 873 1HD2 LEU 113 1HD2 LEU 113 2.730 9.546 -1.158 874 2HD2 LEU 113 2HD2 LEU 113 1.832 8.667 0.080 875 3HD2 LEU 113 3HD2 LEU 113 3.374 8.040 -0.502 876 H LEU 114 HN LEU 114 3.273 5.611 2.810 877 HA LEU 114 HA LEU 114 5.377 5.381 4.924 878 1HB LEU 114 2HB LEU 114 2.974 3.564 4.544 879 2HB LEU 114 1HB LEU 114 4.177 3.456 5.830 880 HG LEU 114 HG LEU 114 2.665 6.021 5.444 881 1HD1 LEU 114 1HD1 LEU 114 1.622 3.845 7.244 882 2HD1 LEU 114 2HD1 LEU 114 1.114 3.923 5.556 883 3HD1 LEU 114 3HD1 LEU 114 0.787 5.276 6.639 884 1HD2 LEU 114 1HD2 LEU 114 3.691 4.579 7.909 885 2HD2 LEU 114 2HD2 LEU 114 3.088 6.235 7.833 886 3HD2 LEU 114 3HD2 LEU 114 4.598 5.809 7.029 887 H VAL 115 HN VAL 115 7.047 4.902 3.532 888 HA VAL 115 HA VAL 115 6.624 2.522 1.745 889 HB VAL 115 HB VAL 115 6.926 4.605 0.479 890 1HG1 VAL 115 1HG1 VAL 115 9.578 5.286 0.718 891 2HG1 VAL 115 2HG1 VAL 115 9.145 4.921 2.386 892 3HG1 VAL 115 3HG1 VAL 115 8.247 6.145 1.492 893 1HG2 VAL 115 1HG2 VAL 115 7.748 2.575 -0.555 894 2HG2 VAL 115 2HG2 VAL 115 9.247 2.657 0.372 895 3HG2 VAL 115 3HG2 VAL 115 8.914 3.860 -0.874 896 H THR 116 HN THR 116 8.214 0.961 1.600 897 HA THR 116 HA THR 116 10.298 1.058 3.740 898 HB THR 116 HB THR 116 9.413 -1.411 2.239 899 HG1 THR 116 HG1 THR 116 7.878 -1.731 3.775 900 1HG2 THR 116 1HG2 THR 116 10.420 -1.204 5.066 901 2HG2 THR 116 2HG2 THR 116 11.548 -1.219 3.709 902 3HG2 THR 116 3HG2 THR 116 10.467 -2.589 3.976 903 H ARG 117 HN ARG 117 12.379 1.336 3.033 904 HA ARG 117 HA ARG 117 12.928 0.965 0.135 905 1HB ARG 117 2HB ARG 117 14.465 2.335 2.357 906 2HB ARG 117 1HB ARG 117 15.092 2.145 0.719 907 1HG ARG 117 2HG ARG 117 12.350 3.231 0.859 908 2HG ARG 117 1HG ARG 117 13.587 4.277 1.554 909 1HD ARG 117 2HD ARG 117 14.618 3.211 -0.889 910 2HD ARG 117 1HD ARG 117 13.001 3.838 -1.209 911 HE ARG 117 HE ARG 117 14.205 5.840 0.282 912 1HH1 ARG 117 1HH2 ARG 117 14.974 4.085 -2.614 913 2HH1 ARG 117 2HH2 ARG 117 15.857 5.399 -3.314 914 1HH2 ARG 117 1HH1 ARG 117 15.352 7.540 -0.640 915 2HH2 ARG 117 2HH1 ARG 117 16.070 7.344 -2.204 916 H LEU 118 HN LEU 118 13.644 -1.054 -0.400 917 HA LEU 118 HA LEU 118 15.045 -2.722 1.573 918 1HB LEU 118 2HB LEU 118 14.267 -3.167 -1.320 919 2HB LEU 118 1HB LEU 118 15.180 -4.345 -0.386 920 HG LEU 118 HG LEU 118 13.257 -4.109 1.355 921 1HD1 LEU 118 1HD1 LEU 118 11.069 -3.590 0.219 922 2HD1 LEU 118 2HD1 LEU 118 11.989 -2.998 -1.164 923 3HD1 LEU 118 3HD1 LEU 118 12.127 -2.191 0.398 924 1HD2 LEU 118 1HD2 LEU 118 11.839 -5.557 -0.542 925 2HD2 LEU 118 2HD2 LEU 118 13.102 -6.208 0.502 926 3HD2 LEU 118 3HD2 LEU 118 13.500 -5.662 -1.126 927 H ALA 119 HN ALA 119 17.240 -3.439 1.328 928 HA ALA 119 HA ALA 119 18.982 -1.448 0.075 929 1HB ALA 119 1HB ALA 119 19.816 -4.060 1.355 930 2HB ALA 119 2HB ALA 119 19.445 -2.612 2.292 931 3HB ALA 119 3HB ALA 119 20.787 -2.602 1.147 932 H GLY 120 HN GLY 120 17.811 -4.666 -0.680 933 1HA GLY 120 2HA GLY 120 19.821 -5.140 -2.754 934 2HA GLY 120 1HA GLY 120 18.396 -6.134 -2.446 935 H SER 121 HN SER 121 18.897 -5.674 -5.055 936 HA SER 121 HA SER 121 16.869 -3.602 -5.789 937 1HB SER 121 2HB SER 121 18.146 -3.110 -7.800 938 2HB SER 121 1HB SER 121 19.206 -2.933 -6.404 939 HG SER 121 HG SER 121 20.397 -4.245 -7.577 940 H PHE 122 HN PHE 122 15.121 -4.584 -6.667 941 HA PHE 122 HA PHE 122 15.510 -7.212 -8.029 942 1HB PHE 122 2HB PHE 122 12.986 -6.023 -6.838 943 2HB PHE 122 1HB PHE 122 13.143 -7.634 -7.538 944 HD1 PHE 122 HD1 PHE 122 14.244 -9.427 -6.346 945 HD2 PHE 122 HD2 PHE 122 14.147 -5.450 -4.728 946 HE1 PHE 122 HE1 PHE 122 15.039 -10.296 -4.163 947 HE2 PHE 122 HE2 PHE 122 14.940 -6.317 -2.544 948 HZ PHE 122 HZ PHE 122 15.385 -8.740 -2.261 949 H GLU 123 HN GLU 123 14.032 -7.583 -9.918 950 HA GLU 123 HA GLU 123 13.476 -5.021 -11.359 951 1HB GLU 123 2HB GLU 123 14.026 -6.294 -13.471 952 2HB GLU 123 1HB GLU 123 15.403 -6.017 -12.405 953 1HG GLU 123 HG2 GLU 123 14.992 -8.309 -11.423 954 2HG GLU 123 HG1 GLU 123 13.801 -8.570 -12.699 955 H GLY 124 HN GLY 124 11.793 -5.250 -13.062 956 1HA GLY 124 2HA GLY 124 10.051 -7.488 -13.286 957 2HA GLY 124 1HA GLY 124 9.390 -6.393 -12.066 958 H ASP 125 HN ASP 125 7.582 -5.697 -13.428 959 HA ASP 125 HA ASP 125 8.456 -3.873 -15.607 960 1HB ASP 125 2HB ASP 125 6.935 -6.293 -15.892 961 2HB ASP 125 1HB ASP 125 5.881 -4.924 -16.249 962 H THR 126 HN THR 126 6.634 -4.421 -12.781 963 HA THR 126 HA THR 126 5.023 -1.950 -13.273 964 HB THR 126 HB THR 126 4.384 -3.949 -11.118 965 HG1 THR 126 HG1 THR 126 4.438 -5.170 -12.974 966 1HG2 THR 126 1HG2 THR 126 2.049 -2.997 -12.169 967 2HG2 THR 126 2HG2 THR 126 3.125 -1.622 -12.420 968 3HG2 THR 126 3HG2 THR 126 2.887 -2.272 -10.798 969 H LYS 127 HN LYS 127 5.697 -0.229 -12.130 970 HA LYS 127 HA LYS 127 7.090 -0.705 -9.525 971 1HB LYS 127 2HB LYS 127 7.765 1.392 -11.613 972 2HB LYS 127 1HB LYS 127 8.545 1.226 -10.040 973 1HG LYS 127 2HG LYS 127 9.338 -1.012 -10.632 974 2HG LYS 127 1HG LYS 127 8.497 -0.922 -12.180 975 1HD LYS 127 2HD LYS 127 9.995 0.616 -13.063 976 2HD LYS 127 1HD LYS 127 10.443 1.245 -11.477 977 1HE LYS 127 2HE LYS 127 12.289 -0.049 -11.637 978 2HE LYS 127 1HE LYS 127 11.219 -1.422 -11.355 979 1HZ LYS 127 1HE LYS 127 10.813 -1.196 -13.900 980 2HZ LYS 127 2HE LYS 127 12.190 -2.006 -13.324 981 3HZ LYS 127 3HE LYS 127 12.313 -0.406 -13.882 982 H MET 128 HN MET 128 6.980 1.246 -8.082 983 HA MET 128 HA MET 128 4.294 2.148 -7.774 984 1HB MET 128 2HB MET 128 6.437 2.123 -6.147 985 2HB MET 128 1HB MET 128 6.490 3.814 -6.645 986 1HG MET 128 2HG MET 128 3.804 2.797 -5.926 987 2HG MET 128 1HG MET 128 4.952 2.893 -4.592 988 1HE MET 128 1HE MET 128 2.255 5.752 -4.889 989 2HE MET 128 2HE MET 128 3.197 5.288 -3.475 990 3HE MET 128 3HE MET 128 2.527 4.043 -4.525 991 H ILE 129 HN ILE 129 3.447 4.314 -8.035 992 HA ILE 129 HA ILE 129 4.285 5.553 -10.531 993 HB ILE 129 HB ILE 129 2.464 7.200 -9.985 994 1HG1 ILE 129 2HG1 ILE 129 1.250 5.733 -7.841 995 2HG1 ILE 129 1HG1 ILE 129 2.899 6.135 -7.362 996 1HG2 ILE 129 1HG2 ILE 129 0.793 5.005 -9.592 997 2HG2 ILE 129 2HG2 ILE 129 2.221 4.310 -10.357 998 3HG2 ILE 129 3HG2 ILE 129 1.346 5.620 -11.150 999 1HD1 ILE 129 1HD1 ILE 129 2.146 8.493 -8.472 1000 2HD1 ILE 129 2HD1 ILE 129 1.945 8.123 -6.759 1001 3HD1 ILE 129 3HD1 ILE 129 0.590 7.924 -7.869 1002 HA PRO 130 HA PRO 130 7.203 8.584 -9.255 1003 1HB PRO 130 2HB PRO 130 5.923 10.768 -10.618 1004 2HB PRO 130 1HB PRO 130 7.345 9.846 -11.121 1005 1HG PRO 130 2HG PRO 130 4.664 9.721 -12.156 1006 2HG PRO 130 1HG PRO 130 6.117 8.899 -12.740 1007 1HD PRO 130 2HD PRO 130 3.920 7.705 -11.443 1008 2HD PRO 130 1HD PRO 130 5.480 6.948 -11.797 1009 H LEU 131 HN LEU 131 6.809 8.925 -7.046 1010 HA LEU 131 HA LEU 131 4.526 10.615 -6.233 1011 1HB LEU 131 2HB LEU 131 6.457 8.815 -4.875 1012 2HB LEU 131 1HB LEU 131 5.919 10.209 -3.938 1013 HG LEU 131 HG LEU 131 4.058 8.271 -5.342 1014 1HD1 LEU 131 1HD1 LEU 131 4.319 6.907 -3.572 1015 2HD1 LEU 131 2HD1 LEU 131 3.787 8.205 -2.505 1016 3HD1 LEU 131 3HD1 LEU 131 5.501 8.010 -2.871 1017 1HD2 LEU 131 1HD2 LEU 131 2.935 10.344 -5.112 1018 2HD2 LEU 131 2HD2 LEU 131 3.680 10.672 -3.548 1019 3HD2 LEU 131 3HD2 LEU 131 2.435 9.431 -3.689 1020 H ASN 132 HN ASN 132 4.860 12.610 -5.022 1021 HA ASN 132 HA ASN 132 7.305 14.026 -5.924 1022 1HB ASN 132 2HB ASN 132 4.616 14.766 -5.798 1023 2HB ASN 132 1HB ASN 132 5.359 15.636 -4.457 1024 1HD2 ASN 132 1HD2 ASN 132 6.127 17.650 -5.090 1025 2HD2 ASN 132 2HD2 ASN 132 6.752 18.021 -6.624 1026 H TRP 133 HN TRP 133 8.456 12.651 -4.219 1027 HA TRP 133 HA TRP 133 8.113 12.892 -1.443 1028 1HB TRP 133 2HB TRP 133 10.791 12.894 -2.867 1029 2HB TRP 133 1HB TRP 133 10.477 12.368 -1.214 1030 HD1 TRP 133 HD1 TRP 133 10.099 11.294 -4.834 1031 HE1 TRP 133 HE1 TRP 133 9.409 8.813 -4.912 1032 HE3 TRP 133 HE3 TRP 133 9.211 10.468 0.128 1033 HZ2 TRP 133 HZ2 TRP 133 8.593 6.750 -3.111 1034 HZ3 TRP 133 HZ3 TRP 133 8.482 8.235 0.917 1035 HH2 TRP 133 HH2 TRP 133 8.172 6.376 -0.695 1036 H ASP 134 HN ASP 134 9.325 15.249 -3.723 1037 HA ASP 134 HA ASP 134 10.642 16.998 -1.885 1038 1HB ASP 134 2HB ASP 134 9.795 17.053 -4.662 1039 2HB ASP 134 1HB ASP 134 9.511 18.612 -3.889 1040 H ASP 135 HN ASP 135 7.241 16.507 -2.625 1041 HA ASP 135 HA ASP 135 6.465 18.974 -1.202 1042 1HB ASP 135 2HB ASP 135 5.317 17.664 -3.282 1043 2HB ASP 135 1HB ASP 135 4.406 16.969 -1.942 1044 H PHE 136 HN PHE 136 7.273 15.825 -0.343 1045 HA PHE 136 HA PHE 136 5.580 16.000 2.120 1046 1HB PHE 136 2HB PHE 136 6.706 13.552 0.729 1047 2HB PHE 136 1HB PHE 136 5.863 13.523 2.276 1048 HD1 PHE 136 HD1 PHE 136 5.402 14.860 -1.202 1049 HD2 PHE 136 HD2 PHE 136 3.571 13.119 2.270 1050 HE1 PHE 136 HE1 PHE 136 3.231 14.766 -2.395 1051 HE2 PHE 136 HE2 PHE 136 1.399 13.027 1.079 1052 HZ PHE 136 HZ PHE 136 1.229 13.849 -1.255 1053 H THR 137 HN THR 137 6.626 15.056 4.067 1054 HA THR 137 HA THR 137 9.608 15.222 3.994 1055 HB THR 137 HB THR 137 7.967 16.353 6.266 1056 HG1 THR 137 HG1 THR 137 8.460 18.389 5.263 1057 1HG2 THR 137 1HG2 THR 137 10.097 17.576 6.687 1058 2HG2 THR 137 2HG2 THR 137 10.830 16.708 5.339 1059 3HG2 THR 137 3HG2 THR 137 10.295 15.826 6.769 1060 H LYS 138 HN LYS 138 10.564 13.522 5.078 1061 HA LYS 138 HA LYS 138 8.880 11.442 6.174 1062 1HB LYS 138 2HB LYS 138 11.024 10.964 5.027 1063 2HB LYS 138 1HB LYS 138 11.890 11.789 6.322 1064 1HG LYS 138 2HG LYS 138 9.997 9.689 7.205 1065 2HG LYS 138 1HG LYS 138 11.403 9.111 6.309 1066 1HD LYS 138 2HD LYS 138 11.677 11.075 8.587 1067 2HD LYS 138 1HD LYS 138 11.663 9.335 8.862 1068 1HE LYS 138 2HE LYS 138 13.549 9.095 7.254 1069 2HE LYS 138 1HE LYS 138 13.591 10.850 7.079 1070 1HZ LYS 138 1HE LYS 138 14.131 9.257 9.518 1071 2HZ LYS 138 2HE LYS 138 13.878 10.937 9.552 1072 3HZ LYS 138 3HE LYS 138 15.194 10.290 8.694 1073 H VAL 139 HN VAL 139 8.050 11.452 8.198 1074 HA VAL 139 HA VAL 139 9.304 13.205 10.243 1075 HB VAL 139 HB VAL 139 7.178 12.760 11.513 1076 1HG1 VAL 139 1HG1 VAL 139 7.449 14.737 10.038 1077 2HG1 VAL 139 2HG1 VAL 139 5.782 14.161 10.056 1078 3HG1 VAL 139 3HG1 VAL 139 6.826 13.796 8.683 1079 1HG2 VAL 139 1HG2 VAL 139 5.857 11.739 9.070 1080 2HG2 VAL 139 2HG2 VAL 139 5.597 11.298 10.758 1081 3HG2 VAL 139 3HG2 VAL 139 6.940 10.593 9.859 1082 H SER 140 HN SER 140 8.844 9.837 9.457 1083 HA SER 140 HA SER 140 10.395 9.131 11.885 1084 1HB SER 140 2HB SER 140 7.604 8.239 11.274 1085 2HB SER 140 1HB SER 140 8.703 7.100 12.045 1086 HG SER 140 HG SER 140 8.305 8.145 13.814 1087 H SER 141 HN SER 141 11.765 7.412 11.552 1088 HA SER 141 HA SER 141 11.385 5.645 9.219 1089 1HB SER 141 2HB SER 141 12.786 7.808 8.644 1090 2HB SER 141 1HB SER 141 14.070 6.944 9.478 1091 HG SER 141 HG SER 141 13.750 6.600 7.103 1092 H ARG 142 HN ARG 142 12.177 3.597 9.682 1093 HA ARG 142 HA ARG 142 14.038 3.329 12.008 1094 1HB ARG 142 2HB ARG 142 11.528 2.715 12.406 1095 2HB ARG 142 1HB ARG 142 11.883 1.302 11.413 1096 1HG ARG 142 2HG ARG 142 13.103 0.310 13.050 1097 2HG ARG 142 1HG ARG 142 13.895 1.820 13.499 1098 1HD ARG 142 2HD ARG 142 12.551 1.192 15.381 1099 2HD ARG 142 1HD ARG 142 11.697 2.510 14.583 1100 HE ARG 142 HE ARG 142 10.017 0.969 13.891 1101 1HH1 ARG 142 1HH2 ARG 142 12.740 -0.620 15.364 1102 2HH1 ARG 142 2HH2 ARG 142 11.913 -2.130 15.526 1103 1HH2 ARG 142 1HH1 ARG 142 8.966 -1.004 14.101 1104 2HH2 ARG 142 2HH1 ARG 142 9.793 -2.349 14.815 1105 H THR 143 HN THR 143 15.825 2.048 11.486 1106 HA THR 143 HA THR 143 15.729 0.679 8.845 1107 HB THR 143 HB THR 143 18.240 1.074 10.440 1108 HG1 THR 143 HG1 THR 143 17.250 3.054 8.702 1109 1HG2 THR 143 1HG2 THR 143 19.287 0.775 8.421 1110 2HG2 THR 143 2HG2 THR 143 17.996 1.563 7.515 1111 3HG2 THR 143 3HG2 THR 143 17.798 -0.101 8.065 1112 H VAL 144 HN VAL 144 15.660 -1.514 8.795 1113 HA VAL 144 HA VAL 144 16.680 -3.000 11.176 1114 HB VAL 144 HB VAL 144 14.211 -2.994 11.214 1115 1HG1 VAL 144 1HG1 VAL 144 14.421 -3.036 8.467 1116 2HG1 VAL 144 2HG1 VAL 144 12.937 -3.325 9.374 1117 3HG1 VAL 144 3HG1 VAL 144 13.919 -4.686 8.832 1118 1HG2 VAL 144 1HG2 VAL 144 13.909 -5.525 11.053 1119 2HG2 VAL 144 2HG2 VAL 144 15.221 -4.979 12.097 1120 3HG2 VAL 144 3HG2 VAL 144 15.576 -5.597 10.483 1121 H GLU 145 HN GLU 145 18.123 -4.557 10.652 1122 HA GLU 145 HA GLU 145 18.724 -5.027 7.805 1123 1HB GLU 145 2HB GLU 145 20.115 -5.535 10.407 1124 2HB GLU 145 1HB GLU 145 20.574 -6.501 9.004 1125 1HG GLU 145 HG2 GLU 145 21.099 -4.517 7.725 1126 2HG GLU 145 HG1 GLU 145 20.448 -3.473 8.990 1127 H ASP 146 HN ASP 146 19.123 -7.290 7.064 1128 HA ASP 146 HA ASP 146 17.472 -9.316 8.494 1129 1HB ASP 146 2HB ASP 146 16.605 -7.993 6.191 1130 2HB ASP 146 1HB ASP 146 17.230 -9.530 5.591 1131 H THR 147 HN THR 147 18.080 -11.526 7.952 1132 HA THR 147 HA THR 147 20.873 -11.959 7.674 1133 HB THR 147 HB THR 147 20.131 -14.368 7.159 1134 HG1 THR 147 HG1 THR 147 17.995 -14.767 7.223 1135 1HG2 THR 147 1HG2 THR 147 19.752 -14.757 9.424 1136 2HG2 THR 147 2HG2 THR 147 18.762 -13.310 9.610 1137 3HG2 THR 147 3HG2 THR 147 20.514 -13.167 9.466 1138 H ASN 148 HN ASN 148 18.529 -11.287 5.278 1139 HA ASN 148 HA ASN 148 20.339 -12.341 3.146 1140 1HB ASN 148 2HB ASN 148 17.774 -12.917 3.279 1141 2HB ASN 148 1HB ASN 148 17.582 -11.321 2.557 1142 1HD2 ASN 148 1HD2 ASN 148 19.757 -14.170 2.060 1143 2HD2 ASN 148 2HD2 ASN 148 19.645 -14.135 0.367 1144 HA PRO 149 HA PRO 149 21.958 -8.229 2.590 1145 1HB PRO 149 2HB PRO 149 22.314 -8.876 -0.225 1146 2HB PRO 149 1HB PRO 149 23.541 -8.622 1.023 1147 1HG PRO 149 2HG PRO 149 22.637 -11.098 -0.104 1148 2HG PRO 149 1HG PRO 149 23.903 -10.836 1.104 1149 1HD PRO 149 2HD PRO 149 21.426 -12.060 1.556 1150 2HD PRO 149 1HD PRO 149 22.543 -11.476 2.800 1151 H ALA 150 HN ALA 150 19.799 -9.591 0.087 1152 HA ALA 150 HA ALA 150 18.941 -6.934 -0.761 1153 1HB ALA 150 1HB ALA 150 17.935 -9.711 -1.433 1154 2HB ALA 150 2HB ALA 150 18.989 -8.695 -2.417 1155 3HB ALA 150 3HB ALA 150 17.306 -8.235 -2.164 1156 H LEU 151 HN LEU 151 17.678 -9.437 1.415 1157 HA LEU 151 HA LEU 151 15.036 -8.322 1.614 1158 1HB LEU 151 2HB LEU 151 16.626 -10.131 3.437 1159 2HB LEU 151 1HB LEU 151 14.976 -9.637 3.798 1160 HG LEU 151 HG LEU 151 15.862 -11.075 1.278 1161 1HD1 LEU 151 1HD1 LEU 151 15.885 -12.488 3.322 1162 2HD1 LEU 151 2HD1 LEU 151 14.616 -12.977 2.200 1163 3HD1 LEU 151 3HD1 LEU 151 14.210 -12.035 3.635 1164 1HD2 LEU 151 1HD2 LEU 151 13.890 -10.418 0.403 1165 2HD2 LEU 151 2HD2 LEU 151 13.547 -9.486 1.860 1166 3HD2 LEU 151 3HD2 LEU 151 13.043 -11.171 1.754 1167 H THR 152 HN THR 152 17.965 -7.009 2.638 1168 HA THR 152 HA THR 152 17.264 -5.920 5.191 1169 HB THR 152 HB THR 152 18.940 -4.513 3.094 1170 HG1 THR 152 HG1 THR 152 19.623 -6.621 4.861 1171 1HG2 THR 152 1HG2 THR 152 19.677 -4.596 5.963 1172 2HG2 THR 152 2HG2 THR 152 18.216 -3.687 5.574 1173 3HG2 THR 152 3HG2 THR 152 19.750 -3.256 4.819 1174 H HIS 153 HN HIS 153 16.009 -4.070 5.707 1175 HA HIS 153 HA HIS 153 15.111 -2.325 3.504 1176 1HB HIS 153 2HB HIS 153 12.686 -2.732 4.071 1177 2HB HIS 153 1HB HIS 153 13.489 -4.066 3.251 1178 HD1 HIS 153 HD1 HIS 153 14.533 -5.937 5.010 1179 HD2 HIS 153 HD2 HIS 153 11.440 -3.515 6.405 1180 HE1 HIS 153 HE1 HIS 153 13.568 -7.106 7.039 1181 H THR 154 HN THR 154 13.959 -0.459 4.248 1182 HA THR 154 HA THR 154 14.213 0.056 7.181 1183 HB THR 154 HB THR 154 14.664 2.104 4.989 1184 HG1 THR 154 HG1 THR 154 16.626 1.411 4.874 1185 1HG2 THR 154 1HG2 THR 154 15.173 3.585 6.680 1186 2HG2 THR 154 2HG2 THR 154 15.719 2.311 7.771 1187 3HG2 THR 154 3HG2 THR 154 13.995 2.580 7.522 1188 H TYR 155 HN TYR 155 12.481 1.371 8.042 1189 HA TYR 155 HA TYR 155 10.120 1.481 6.231 1190 1HB TYR 155 2HB TYR 155 10.310 1.637 9.255 1191 2HB TYR 155 1HB TYR 155 8.810 1.663 8.328 1192 HD1 TYR 155 HD1 TYR 155 8.553 -0.315 6.573 1193 HD2 TYR 155 HD2 TYR 155 11.097 -0.417 10.032 1194 HE1 TYR 155 HE1 TYR 155 8.545 -2.794 6.505 1195 HE2 TYR 155 HE2 TYR 155 11.090 -2.896 9.964 1196 HH TYR 155 HH TYR 155 10.717 -4.687 8.308 1197 H GLU 156 HN GLU 156 9.608 3.443 5.412 1198 HA GLU 156 HA GLU 156 10.534 5.863 6.892 1199 1HB GLU 156 2HB GLU 156 10.027 5.407 3.943 1200 2HB GLU 156 1HB GLU 156 10.359 6.990 4.647 1201 1HG GLU 156 HG2 GLU 156 12.397 5.627 5.739 1202 2HG GLU 156 HG1 GLU 156 12.182 4.659 4.275 1203 H VAL 157 HN VAL 157 9.069 7.709 6.883 1204 HA VAL 157 HA VAL 157 6.248 7.159 6.186 1205 HB VAL 157 HB VAL 157 7.116 8.050 8.958 1206 1HG1 VAL 157 1HG1 VAL 157 5.066 9.110 8.632 1207 2HG1 VAL 157 2HG1 VAL 157 4.545 7.556 9.282 1208 3HG1 VAL 157 3HG1 VAL 157 4.474 7.854 7.545 1209 1HG2 VAL 157 1HG2 VAL 157 6.391 5.425 7.770 1210 2HG2 VAL 157 2HG2 VAL 157 5.644 5.799 9.323 1211 3HG2 VAL 157 3HG2 VAL 157 7.401 5.785 9.171 1212 H TRP 158 HN TRP 158 5.559 8.969 5.091 1213 HA TRP 158 HA TRP 158 6.901 11.559 5.770 1214 1HB TRP 158 2HB TRP 158 5.718 10.808 3.087 1215 2HB TRP 158 1HB TRP 158 6.677 12.234 3.466 1216 HD1 TRP 158 HD1 TRP 158 7.151 8.392 3.753 1217 HE1 TRP 158 HE1 TRP 158 9.571 7.843 3.055 1218 HE3 TRP 158 HE3 TRP 158 8.880 13.098 2.789 1219 HZ2 TRP 158 HZ2 TRP 158 11.928 9.218 2.198 1220 HZ3 TRP 158 HZ3 TRP 158 11.213 13.450 2.032 1221 HH2 TRP 158 HH2 TRP 158 12.738 11.518 1.735 1222 H GLN 159 HN GLN 159 5.554 13.489 5.294 1223 HA GLN 159 HA GLN 159 2.618 13.002 5.417 1224 1HB GLN 159 2HB GLN 159 4.220 14.787 7.283 1225 2HB GLN 159 1HB GLN 159 2.460 14.816 7.155 1226 1HG GLN 159 2HG GLN 159 2.595 12.265 7.608 1227 2HG GLN 159 1HG GLN 159 4.232 12.601 8.175 1228 1HE2 GLN 159 1HE2 GLN 159 1.095 12.318 9.283 1229 2HE2 GLN 159 2HE2 GLN 159 1.202 13.299 10.664 1230 H LYS 160 HN LYS 160 1.449 14.617 4.236 1231 HA LYS 160 HA LYS 160 3.006 16.180 2.375 1232 1HB LYS 160 2HB LYS 160 0.651 15.179 2.053 1233 2HB LYS 160 1HB LYS 160 0.072 16.579 2.957 1234 1HG LYS 160 2HG LYS 160 1.895 17.583 1.037 1235 2HG LYS 160 1HG LYS 160 0.873 16.423 0.187 1236 1HD LYS 160 2HD LYS 160 -0.293 18.522 2.020 1237 2HD LYS 160 1HD LYS 160 0.015 18.845 0.313 1238 1HE LYS 160 2HE LYS 160 -1.360 16.301 0.701 1239 2HE LYS 160 1HE LYS 160 -2.275 17.652 1.371 1240 1HZ LYS 160 1HE LYS 160 -2.905 17.515 -0.864 1241 2HZ LYS 160 2HE LYS 160 -1.309 17.293 -1.403 1242 3HZ LYS 160 3HE LYS 160 -1.806 18.805 -0.810 1243 H LYS 161 HN LYS 161 3.718 18.239 2.584 1244 HA LYS 161 HA LYS 161 3.433 19.660 5.085 1245 1HB LYS 161 2HB LYS 161 4.751 20.142 2.455 1246 2HB LYS 161 1HB LYS 161 4.397 21.560 3.442 1247 1HG LYS 161 2HG LYS 161 5.465 20.160 5.379 1248 2HG LYS 161 1HG LYS 161 6.184 19.225 4.066 1249 1HD LYS 161 2HD LYS 161 6.803 21.618 3.125 1250 2HD LYS 161 1HD LYS 161 6.633 22.091 4.816 1251 1HE LYS 161 2HE LYS 161 8.267 20.401 5.489 1252 2HE LYS 161 1HE LYS 161 8.391 19.828 3.826 1253 1HZ LYS 161 1HE LYS 161 9.789 21.460 3.316 1254 2HZ LYS 161 2HE LYS 161 9.917 21.774 4.980 1255 3HZ LYS 161 3HE LYS 161 8.812 22.648 4.031 1256 H ALA 162 HN ALA 162 2.183 21.508 5.526 1257 HA ALA 162 HA ALA 162 0.171 22.251 3.440 1258 1HB ALA 162 1HB ALA 162 -1.581 22.151 4.960 1259 2HB ALA 162 2HB ALA 162 -0.524 22.395 6.351 1260 3HB ALA 162 3HB ALA 162 -0.575 20.826 5.547 1261 AH51 NDP 168 AH51 NDP 168 -5.475 -1.621 -9.817 1262 AH52 NDP 168 AH52 NDP 168 -5.685 -2.837 -8.546 1263 AH4* NDP 168 AH4* NDP 168 -7.546 -3.853 -9.880 1264 AH3* NDP 168 AH3* NDP 168 -7.050 -1.548 -11.780 1265 AHO3 NDP 168 AHO3 NDP 168 -7.636 -3.300 -13.219 1266 AH2* NDP 168 AH2* NDP 168 -9.425 -1.494 -12.132 1267 AH1* NDP 168 AH1* NDP 168 -10.107 -1.752 -9.460 1268 AH8 NDP 168 AH8 NDP 168 -7.001 0.376 -10.065 1269 AH61 NDP 168 AH61 NDP 168 -10.963 5.149 -10.159 1270 AH62 NDP 168 AH62 NDP 168 -9.288 4.691 -9.978 1271 AH2 NDP 168 AH2 NDP 168 -13.356 1.364 -10.011 1272 NH51 NDP 168 NH51 NDP 168 -1.356 -4.654 -9.536 1273 NH52 NDP 168 NH52 NDP 168 -1.203 -3.734 -8.035 1274 NH4* NDP 168 NH4* NDP 168 1.046 -5.205 -9.498 1275 NH3* NDP 168 NH3* NDP 168 -0.426 -5.901 -6.944 1276 NHO3 NDP 168 NHO3 NDP 168 -0.192 -7.977 -7.972 1277 NH2* NDP 168 NH2* NDP 168 1.636 -6.880 -6.185 1278 NHO2 NDP 168 NHO2 NDP 168 2.471 -7.963 -7.879 1279 NH1* NDP 168 NH1* NDP 168 3.248 -4.802 -7.084 1280 NH2 NDP 168 NH2 NDP 168 3.813 -3.607 -5.102 1281 NH71 NDP 168 NH71 NDP 168 5.210 -2.989 -4.375 1282 NH72 NDP 168 NH72 NDP 168 5.682 -2.088 -2.953 1283 NH41 NDP 168 NH41 NDP 168 0.747 -2.458 -2.844 1284 NH42 NDP 168 NH42 NDP 168 1.236 -4.017 -2.097 1285 NH5 NDP 168 NH5 NDP 168 -0.839 -4.263 -3.455 1286 NH6 NDP 168 NH6 NDP 168 -0.190 -5.243 -5.711 1287 H1 TRR 170 H1 TRR 170 4.655 -5.140 1.692 1288 1H2 TRR 170 1H2 TRR 170 5.600 -3.137 2.570 1289 2H2 TRR 170 2H2 TRR 170 4.706 -1.678 2.507 1290 1H4 TRR 170 1H4 TRR 170 -0.358 -3.084 -0.056 1291 2H4 TRR 170 2H4 TRR 170 0.307 -1.645 0.566 1292 H6 TRR 170 H6 TRR 170 2.900 -6.404 0.627 1293 1H7 TRR 170 1H7 TRR 170 0.408 -5.022 -1.221 1294 2H7 TRR 170 2H7 TRR 170 -0.422 -5.137 0.330 1295 H12 TRR 170 H12 TRR 170 1.160 -6.942 -2.304 1296 H16 TRR 170 H16 TRR 170 0.194 -7.085 1.898 1297 1H17 TRR 170 1H17 TRR 170 2.401 -8.012 -3.592 1298 2H17 TRR 170 2H17 TRR 170 0.762 -8.394 -4.099 1299 3H17 TRR 170 3H17 TRR 170 2.092 -9.449 -4.556 1300 1H18 TRR 170 1H18 TRR 170 2.776 -11.838 -1.165 1301 2H18 TRR 170 2H18 TRR 170 2.476 -12.401 0.472 1302 3H18 TRR 170 3H18 TRR 170 3.127 -10.791 0.202 1303 1H19 TRR 170 1H19 TRR 170 0.263 -9.722 4.181 1304 2H19 TRR 170 2H19 TRR 170 -0.954 -8.793 3.321 1305 3H19 TRR 170 3H19 TRR 170 0.688 -8.181 3.452 Start of MODEL 7 1 1H THR 1 1H THR 1 -5.164 9.488 4.575 2 2H THR 1 2H THR 1 -6.751 9.301 4.001 3 3H THR 1 3H THR 1 -5.889 10.728 3.674 4 HA THR 1 HA THR 1 -5.721 8.111 2.399 5 HB THR 1 HB THR 1 -4.893 10.723 1.199 6 HG1 THR 1 HG1 THR 1 -6.739 11.535 1.752 7 1HG2 THR 1 1HG2 THR 1 -4.763 8.914 -0.297 8 2HG2 THR 1 2HG2 THR 1 -6.335 9.629 -0.662 9 3HG2 THR 1 3HG2 THR 1 -6.236 8.174 0.330 10 H ALA 2 HN ALA 2 -3.876 6.980 2.574 11 HA ALA 2 HA ALA 2 -1.301 8.473 2.451 12 1HB ALA 2 1HB ALA 2 -1.892 6.210 4.380 13 2HB ALA 2 2HB ALA 2 -1.792 7.913 4.826 14 3HB ALA 2 3HB ALA 2 -0.363 7.073 4.224 15 H PHE 3 HN PHE 3 0.509 7.068 1.804 16 HA PHE 3 HA PHE 3 -0.428 4.798 0.097 17 1HB PHE 3 2HB PHE 3 1.936 6.676 -0.145 18 2HB PHE 3 1HB PHE 3 1.857 5.161 -1.037 19 HD1 PHE 3 HD1 PHE 3 -1.361 5.484 -1.199 20 HD2 PHE 3 HD2 PHE 3 2.008 7.892 -2.314 21 HE1 PHE 3 HE1 PHE 3 -2.729 6.576 -2.946 22 HE2 PHE 3 HE2 PHE 3 0.638 8.990 -4.062 23 HZ PHE 3 HZ PHE 3 -1.729 8.332 -4.379 24 H LEU 4 HN LEU 4 0.346 2.771 0.602 25 HA LEU 4 HA LEU 4 2.678 2.609 2.452 26 1HB LEU 4 2HB LEU 4 0.745 2.309 3.876 27 2HB LEU 4 1HB LEU 4 0.010 1.192 2.728 28 HG LEU 4 HG LEU 4 1.858 -0.407 3.096 29 1HD1 LEU 4 1HD1 LEU 4 3.524 0.000 4.828 30 2HD1 LEU 4 2HD1 LEU 4 2.784 1.552 5.218 31 3HD1 LEU 4 3HD1 LEU 4 3.576 1.321 3.660 32 1HD2 LEU 4 1HD2 LEU 4 0.645 0.547 5.709 33 2HD2 LEU 4 2HD2 LEU 4 1.234 -1.078 5.357 34 3HD2 LEU 4 3HD2 LEU 4 -0.194 -0.459 4.528 35 H TRP 5 HN TRP 5 4.072 1.822 0.868 36 HA TRP 5 HA TRP 5 3.375 -0.870 -0.174 37 1HB TRP 5 2HB TRP 5 4.158 -0.321 -2.401 38 2HB TRP 5 1HB TRP 5 2.913 0.836 -1.946 39 HD1 TRP 5 HD1 TRP 5 6.309 0.662 -3.291 40 HE1 TRP 5 HE1 TRP 5 7.445 2.971 -3.256 41 HE3 TRP 5 HE3 TRP 5 3.102 3.186 -0.215 42 HZ2 TRP 5 HZ2 TRP 5 7.058 5.541 -2.082 43 HZ3 TRP 5 HZ3 TRP 5 3.520 5.562 0.346 44 HH2 TRP 5 HH2 TRP 5 5.490 6.742 -0.583 45 H ALA 6 HN ALA 6 5.499 -1.740 -1.329 46 HA ALA 6 HA ALA 6 7.878 -0.961 0.293 47 1HB ALA 6 1HB ALA 6 6.626 -3.682 -0.020 48 2HB ALA 6 2HB ALA 6 7.248 -2.912 1.440 49 3HB ALA 6 3HB ALA 6 8.366 -3.539 0.228 50 H GLN 7 HN GLN 7 9.607 -0.636 -1.037 51 HA GLN 7 HA GLN 7 9.597 -2.036 -3.666 52 1HB GLN 7 2HB GLN 7 10.490 0.097 -4.679 53 2HB GLN 7 1HB GLN 7 8.806 0.174 -4.165 54 1HG GLN 7 2HG GLN 7 9.330 1.433 -2.233 55 2HG GLN 7 1HG GLN 7 11.042 1.022 -2.325 56 1HE2 GLN 7 1HE2 GLN 7 9.108 2.034 -5.148 57 2HE2 GLN 7 2HE2 GLN 7 9.926 3.501 -5.387 58 H ASP 8 HN ASP 8 11.731 -2.165 -4.673 59 HA ASP 8 HA ASP 8 13.806 -2.617 -2.646 60 1HB ASP 8 2HB ASP 8 15.103 -3.521 -4.580 61 2HB ASP 8 1HB ASP 8 13.520 -4.277 -4.409 62 H ARG 9 HN ARG 9 16.124 -2.019 -3.955 63 HA ARG 9 HA ARG 9 16.478 0.742 -3.433 64 1HB ARG 9 2HB ARG 9 18.638 0.515 -4.647 65 2HB ARG 9 1HB ARG 9 18.379 -0.778 -3.480 66 1HG ARG 9 2HG ARG 9 18.904 -2.139 -5.225 67 2HG ARG 9 1HG ARG 9 17.232 -1.864 -5.705 68 1HD ARG 9 2HD ARG 9 17.945 -0.880 -7.597 69 2HD ARG 9 1HD ARG 9 18.769 0.351 -6.644 70 HE ARG 9 HE ARG 9 20.011 -2.037 -7.842 71 1HH1 ARG 9 1HH1 ARG 9 20.253 0.617 -5.608 72 2HH1 ARG 9 2HH1 ARG 9 21.979 0.554 -5.547 73 1HH2 ARG 9 1HH2 ARG 9 22.251 -2.102 -7.746 74 2HH2 ARG 9 2HH2 ARG 9 23.104 -0.973 -6.747 75 H ASP 10 HN ASP 10 15.860 -0.905 -6.558 76 HA ASP 10 HA ASP 10 16.041 1.528 -8.101 77 1HB ASP 10 2HB ASP 10 15.343 -1.291 -8.570 78 2HB ASP 10 1HB ASP 10 14.448 -0.161 -9.586 79 H GLY 11 HN GLY 11 13.396 -0.137 -6.447 80 1HA GLY 11 2HA GLY 11 11.541 1.282 -5.625 81 2HA GLY 11 1HA GLY 11 11.678 2.218 -7.107 82 H LEU 12 HN LEU 12 11.605 -1.342 -6.809 83 HA LEU 12 HA LEU 12 9.306 -1.346 -8.697 84 1HB LEU 12 2HB LEU 12 11.194 -2.818 -9.255 85 2HB LEU 12 1HB LEU 12 11.062 -3.606 -7.685 86 HG LEU 12 HG LEU 12 8.610 -4.135 -8.391 87 1HD1 LEU 12 1HD1 LEU 12 9.030 -2.530 -10.451 88 2HD1 LEU 12 2HD1 LEU 12 8.022 -3.968 -10.622 89 3HD1 LEU 12 3HD1 LEU 12 9.698 -3.993 -11.176 90 1HD2 LEU 12 1HD2 LEU 12 9.316 -6.226 -9.132 91 2HD2 LEU 12 2HD2 LEU 12 10.783 -5.636 -8.349 92 3HD2 LEU 12 3HD2 LEU 12 10.624 -5.553 -10.103 93 H ILE 13 HN ILE 13 7.392 -2.651 -8.189 94 HA ILE 13 HA ILE 13 7.104 -3.332 -5.311 95 HB ILE 13 HB ILE 13 4.643 -2.446 -5.667 96 1HG1 ILE 13 2HG1 ILE 13 5.669 -0.168 -7.134 97 2HG1 ILE 13 1HG1 ILE 13 5.828 -1.630 -8.102 98 1HG2 ILE 13 1HG2 ILE 13 5.295 -0.886 -4.175 99 2HG2 ILE 13 2HG2 ILE 13 6.391 -0.124 -5.328 100 3HG2 ILE 13 3HG2 ILE 13 6.923 -1.524 -4.398 101 1HD1 ILE 13 1HD1 ILE 13 3.650 -1.052 -8.626 102 2HD1 ILE 13 2HD1 ILE 13 3.357 -0.318 -7.049 103 3HD1 ILE 13 3HD1 ILE 13 3.361 -2.073 -7.217 104 H GLY 14 HN GLY 14 5.162 -3.378 -8.315 105 1HA GLY 14 2HA GLY 14 4.024 -5.963 -7.599 106 2HA GLY 14 1HA GLY 14 3.703 -5.065 -9.080 107 H LYS 15 HN LYS 15 4.626 -7.939 -8.337 108 HA LYS 15 HA LYS 15 6.599 -8.117 -10.552 109 1HB LYS 15 2HB LYS 15 7.531 -8.259 -8.053 110 2HB LYS 15 1HB LYS 15 6.968 -9.923 -8.201 111 1HG LYS 15 2HG LYS 15 8.428 -8.995 -10.571 112 2HG LYS 15 1HG LYS 15 9.408 -8.979 -9.106 113 1HD LYS 15 2HD LYS 15 8.955 -11.308 -8.683 114 2HD LYS 15 1HD LYS 15 7.749 -11.360 -9.969 115 1HE LYS 15 2HE LYS 15 9.734 -12.330 -10.888 116 2HE LYS 15 1HE LYS 15 9.616 -10.712 -11.578 117 1HZ LYS 15 1HE LYS 15 11.585 -11.804 -9.784 118 2HZ LYS 15 2HE LYS 15 10.998 -10.285 -9.299 119 3HZ LYS 15 3HE LYS 15 11.694 -10.479 -10.836 120 H ASP 16 HN ASP 16 4.580 -8.841 -11.687 121 HA ASP 16 HA ASP 16 3.102 -10.483 -12.432 122 1HB ASP 16 2HB ASP 16 5.504 -12.061 -11.512 123 2HB ASP 16 1HB ASP 16 4.118 -12.841 -12.275 124 H GLY 17 HN GLY 17 2.021 -9.631 -10.142 125 1HA GLY 17 2HA GLY 17 0.391 -10.415 -8.629 126 2HA GLY 17 1HA GLY 17 0.869 -12.067 -9.015 127 H HIS 18 HN HIS 18 2.765 -12.937 -7.942 128 HA HIS 18 HA HIS 18 2.899 -12.382 -5.166 129 1HB HIS 18 2HB HIS 18 4.962 -13.788 -5.204 130 2HB HIS 18 1HB HIS 18 3.627 -14.523 -6.087 131 HD1 HIS 18 HD1 HIS 18 7.056 -13.196 -6.517 132 HD2 HIS 18 HD2 HIS 18 3.892 -14.326 -8.985 133 HE1 HIS 18 HE1 HIS 18 8.012 -13.417 -8.852 134 H LEU 19 HN LEU 19 5.589 -12.150 -4.479 135 HA LEU 19 HA LEU 19 6.191 -9.368 -5.389 136 1HB LEU 19 2HB LEU 19 6.462 -10.790 -2.772 137 2HB LEU 19 1HB LEU 19 7.676 -9.575 -3.172 138 HG LEU 19 HG LEU 19 4.736 -8.983 -3.464 139 1HD1 LEU 19 1HD1 LEU 19 5.704 -9.763 -1.066 140 2HD1 LEU 19 2HD1 LEU 19 4.478 -8.508 -1.235 141 3HD1 LEU 19 3HD1 LEU 19 6.171 -8.063 -1.027 142 1HD2 LEU 19 1HD2 LEU 19 6.178 -7.381 -4.519 143 2HD2 LEU 19 2HD2 LEU 19 7.272 -7.361 -3.137 144 3HD2 LEU 19 3HD2 LEU 19 5.663 -6.653 -2.998 145 HA PRO 20 HA PRO 20 10.041 -10.753 -7.075 146 1HB PRO 20 2HB PRO 20 11.512 -8.425 -6.245 147 2HB PRO 20 1HB PRO 20 10.816 -8.764 -7.835 148 1HG PRO 20 2HG PRO 20 9.955 -6.785 -6.091 149 2HG PRO 20 1HG PRO 20 9.024 -7.430 -7.449 150 1HD PRO 20 2HD PRO 20 8.764 -7.996 -4.542 151 2HD PRO 20 1HD PRO 20 7.530 -8.034 -5.822 152 H TRP 21 HN TRP 21 10.273 -9.304 -3.823 153 HA TRP 21 HA TRP 21 12.501 -11.207 -3.222 154 1HB TRP 21 2HB TRP 21 13.055 -9.555 -1.403 155 2HB TRP 21 1HB TRP 21 13.194 -8.885 -3.029 156 HD1 TRP 21 HD1 TRP 21 10.783 -8.944 -0.041 157 HE1 TRP 21 HE1 TRP 21 9.260 -6.869 -0.176 158 HE3 TRP 21 HE3 TRP 21 12.283 -7.051 -4.536 159 HZ2 TRP 21 HZ2 TRP 21 8.744 -4.696 -1.961 160 HZ3 TRP 21 HZ3 TRP 21 11.256 -4.981 -5.433 161 HH2 TRP 21 HH2 TRP 21 9.491 -3.807 -4.151 162 H HIS 22 HN HIS 22 12.294 -12.516 -1.411 163 HA HIS 22 HA HIS 22 9.599 -12.718 -0.228 164 1HB HIS 22 2HB HIS 22 11.081 -14.706 -0.948 165 2HB HIS 22 1HB HIS 22 12.007 -14.385 0.518 166 HD1 HIS 22 HD1 HIS 22 8.455 -15.200 -0.566 167 HD2 HIS 22 HD2 HIS 22 10.842 -15.374 2.847 168 HE1 HIS 22 HE1 HIS 22 7.102 -16.420 1.193 169 H LEU 23 HN LEU 23 9.429 -10.903 1.162 170 HA LEU 23 HA LEU 23 11.409 -10.837 3.408 171 1HB LEU 23 2HB LEU 23 11.152 -8.806 1.742 172 2HB LEU 23 1HB LEU 23 9.722 -8.455 2.712 173 HG LEU 23 HG LEU 23 11.206 -8.627 4.764 174 1HD1 LEU 23 1HD1 LEU 23 13.290 -8.742 2.576 175 2HD1 LEU 23 2HD1 LEU 23 13.066 -9.864 3.919 176 3HD1 LEU 23 3HD1 LEU 23 13.670 -8.236 4.222 177 1HD2 LEU 23 1HD2 LEU 23 11.072 -6.510 2.758 178 2HD2 LEU 23 2HD2 LEU 23 12.564 -6.422 3.692 179 3HD2 LEU 23 3HD2 LEU 23 11.007 -6.385 4.516 180 HA PRO 24 HA PRO 24 7.573 -12.101 5.523 181 1HB PRO 24 2HB PRO 24 9.146 -12.856 7.775 182 2HB PRO 24 1HB PRO 24 8.398 -13.922 6.580 183 1HG PRO 24 2HG PRO 24 11.165 -13.387 6.945 184 2HG PRO 24 1HG PRO 24 10.408 -14.395 5.705 185 1HD PRO 24 2HD PRO 24 11.580 -11.754 5.432 186 2HD PRO 24 1HD PRO 24 11.017 -12.857 4.168 187 H ASP 25 HN ASP 25 10.327 -10.279 6.818 188 HA ASP 25 HA ASP 25 8.918 -9.113 9.038 189 1HB ASP 25 2HB ASP 25 11.507 -9.179 8.383 190 2HB ASP 25 1HB ASP 25 11.116 -7.607 7.683 191 H ASP 26 HN ASP 26 8.935 -8.448 5.627 192 HA ASP 26 HA ASP 26 7.987 -5.702 5.863 193 1HB ASP 26 2HB ASP 26 9.157 -6.383 3.838 194 2HB ASP 26 1HB ASP 26 7.977 -7.657 3.541 195 H LEU 27 HN LEU 27 6.448 -8.849 5.077 196 HA LEU 27 HA LEU 27 3.806 -7.985 4.724 197 1HB LEU 27 2HB LEU 27 4.811 -10.485 6.118 198 2HB LEU 27 1HB LEU 27 3.140 -10.234 5.614 199 HG LEU 27 HG LEU 27 5.290 -9.817 3.581 200 1HD1 LEU 27 1HD1 LEU 27 6.025 -11.944 3.595 201 2HD1 LEU 27 2HD1 LEU 27 4.371 -12.549 3.502 202 3HD1 LEU 27 3HD1 LEU 27 5.104 -12.224 5.073 203 1HD2 LEU 27 1HD2 LEU 27 3.133 -11.346 2.608 204 2HD2 LEU 27 2HD2 LEU 27 3.400 -9.621 2.360 205 3HD2 LEU 27 3HD2 LEU 27 2.409 -10.174 3.710 206 H HIS 28 HN HIS 28 5.331 -8.946 7.825 207 HA HIS 28 HA HIS 28 3.143 -8.327 9.513 208 1HB HIS 28 2HB HIS 28 6.114 -8.049 10.072 209 2HB HIS 28 1HB HIS 28 4.850 -8.050 11.302 210 HD1 HIS 28 HD1 HIS 28 3.102 -10.316 10.733 211 HD2 HIS 28 HD2 HIS 28 7.190 -10.579 9.960 212 HE1 HIS 28 HE1 HIS 28 3.660 -12.786 10.658 213 H TYR 29 HN TYR 29 5.694 -6.255 8.193 214 HA TYR 29 HA TYR 29 5.011 -3.881 9.649 215 1HB TYR 29 2HB TYR 29 7.124 -4.271 8.293 216 2HB TYR 29 1HB TYR 29 6.155 -4.002 6.845 217 HD1 TYR 29 HD1 TYR 29 7.126 -2.435 10.096 218 HD2 TYR 29 HD2 TYR 29 5.690 -1.814 6.095 219 HE1 TYR 29 HE1 TYR 29 7.362 0.016 10.392 220 HE2 TYR 29 HE2 TYR 29 5.925 0.637 6.392 221 HH TYR 29 HH TYR 29 6.136 2.283 8.025 222 H PHE 30 HN PHE 30 3.822 -5.309 6.656 223 HA PHE 30 HA PHE 30 2.209 -3.054 5.850 224 1HB PHE 30 2HB PHE 30 2.883 -4.839 4.277 225 2HB PHE 30 1HB PHE 30 1.895 -5.994 5.172 226 HD1 PHE 30 HD1 PHE 30 1.479 -2.520 3.793 227 HD2 PHE 30 HD2 PHE 30 -0.169 -6.459 4.229 228 HE1 PHE 30 HE1 PHE 30 -0.520 -1.826 2.500 229 HE2 PHE 30 HE2 PHE 30 -2.167 -5.770 2.936 230 HZ PHE 30 HZ PHE 30 -2.342 -3.452 2.071 231 H ARG 31 HN ARG 31 1.404 -6.110 7.546 232 HA ARG 31 HA ARG 31 -1.364 -5.523 7.911 233 1HB ARG 31 2HB ARG 31 -0.113 -7.746 8.286 234 2HB ARG 31 1HB ARG 31 0.317 -7.097 9.868 235 1HG ARG 31 2HG ARG 31 -2.048 -6.811 10.429 236 2HG ARG 31 1HG ARG 31 -2.517 -7.372 8.823 237 1HD ARG 31 2HD ARG 31 -2.688 -9.185 10.510 238 2HD ARG 31 1HD ARG 31 -1.495 -9.559 9.265 239 HE ARG 31 HE ARG 31 -0.380 -8.244 11.633 240 1HH1 ARG 31 1HH2 ARG 31 -1.231 -11.237 10.086 241 2HH1 ARG 31 2HH2 ARG 31 -0.097 -12.167 11.002 242 1HH2 ARG 31 1HH1 ARG 31 1.084 -9.470 12.823 243 2HH2 ARG 31 2HH1 ARG 31 1.205 -11.175 12.543 244 H ALA 32 HN ALA 32 1.189 -5.397 10.409 245 HA ALA 32 HA ALA 32 -0.180 -4.030 12.399 246 1HB ALA 32 1HB ALA 32 2.701 -4.009 11.558 247 2HB ALA 32 2HB ALA 32 1.971 -4.683 13.015 248 3HB ALA 32 3HB ALA 32 2.166 -2.938 12.852 249 H GLN 33 HN GLN 33 1.310 -2.619 9.498 250 HA GLN 33 HA GLN 33 0.896 0.125 10.301 251 1HB GLN 33 2HB GLN 33 1.635 -1.301 7.783 252 2HB GLN 33 1HB GLN 33 1.056 0.358 7.651 253 1HG GLN 33 2HG GLN 33 2.963 0.089 9.831 254 2HG GLN 33 1HG GLN 33 3.661 -0.447 8.302 255 1HE2 GLN 33 1HE2 GLN 33 2.014 2.333 9.846 256 2HE2 GLN 33 2HE2 GLN 33 2.608 3.491 8.758 257 H THR 34 HN THR 34 -1.227 -2.290 9.057 258 HA THR 34 HA THR 34 -3.235 -0.156 8.442 259 HB THR 34 HB THR 34 -4.308 -1.875 6.938 260 HG1 THR 34 HG1 THR 34 -2.388 -3.395 8.048 261 1HG2 THR 34 1HG2 THR 34 -1.457 -1.050 6.331 262 2HG2 THR 34 2HG2 THR 34 -2.907 -0.094 6.025 263 3HG2 THR 34 3HG2 THR 34 -2.632 -1.589 5.130 264 H VAL 35 HN VAL 35 -2.660 -1.540 11.040 265 HA VAL 35 HA VAL 35 -4.942 -3.331 11.452 266 HB VAL 35 HB VAL 35 -4.239 -3.242 13.849 267 1HG1 VAL 35 1HG1 VAL 35 -3.243 -4.894 12.338 268 2HG1 VAL 35 2HG1 VAL 35 -2.033 -4.322 13.486 269 3HG1 VAL 35 3HG1 VAL 35 -2.030 -3.721 11.829 270 1HG2 VAL 35 1HG2 VAL 35 -1.713 -2.003 13.621 271 2HG2 VAL 35 2HG2 VAL 35 -3.102 -1.419 14.537 272 3HG2 VAL 35 3HG2 VAL 35 -2.856 -0.886 12.874 273 H GLY 36 HN GLY 36 -6.960 -2.515 11.605 274 1HA GLY 36 2HA GLY 36 -8.725 -1.220 12.490 275 2HA GLY 36 1HA GLY 36 -7.545 -0.348 13.464 276 H LYS 37 HN LYS 37 -6.703 -0.449 10.144 277 HA LYS 37 HA LYS 37 -7.843 2.300 9.788 278 1HB LYS 37 2HB LYS 37 -5.190 1.166 8.859 279 2HB LYS 37 1HB LYS 37 -5.836 2.717 8.320 280 1HG LYS 37 2HG LYS 37 -5.597 3.703 10.414 281 2HG LYS 37 1HG LYS 37 -5.667 2.157 11.262 282 1HD LYS 37 2HD LYS 37 -3.396 2.614 11.414 283 2HD LYS 37 1HD LYS 37 -3.435 1.686 9.915 284 1HE LYS 37 2HE LYS 37 -3.560 3.792 8.621 285 2HE LYS 37 1HE LYS 37 -3.489 4.711 10.125 286 1HZ LYS 37 1HE LYS 37 -1.303 4.631 9.328 287 2HZ LYS 37 2HE LYS 37 -1.402 2.979 8.940 288 3HZ LYS 37 3HE LYS 37 -1.352 3.472 10.565 289 H ILE 38 HN ILE 38 -8.457 2.852 7.563 290 HA ILE 38 HA ILE 38 -9.662 0.606 6.170 291 HB ILE 38 HB ILE 38 -9.301 3.437 5.147 292 1HG1 ILE 38 2HG1 ILE 38 -11.544 2.248 6.818 293 2HG1 ILE 38 1HG1 ILE 38 -10.358 3.418 7.395 294 1HG2 ILE 38 1HG2 ILE 38 -10.030 1.936 3.416 295 2HG2 ILE 38 2HG2 ILE 38 -11.457 2.818 3.960 296 3HG2 ILE 38 3HG2 ILE 38 -11.187 1.161 4.498 297 1HD1 ILE 38 1HD1 ILE 38 -12.665 4.310 6.598 298 2HD1 ILE 38 2HD1 ILE 38 -12.051 4.014 4.972 299 3HD1 ILE 38 3HD1 ILE 38 -11.216 5.142 6.039 300 H MET 39 HN MET 39 -8.682 -0.669 4.685 301 HA MET 39 HA MET 39 -6.113 0.291 3.500 302 1HB MET 39 2HB MET 39 -6.253 -1.868 4.922 303 2HB MET 39 1HB MET 39 -7.071 -2.569 3.526 304 1HG MET 39 2HG MET 39 -4.910 -1.338 2.351 305 2HG MET 39 1HG MET 39 -4.229 -1.881 3.884 306 1HE MET 39 1HE MET 39 -5.147 -4.630 4.742 307 2HE MET 39 2HE MET 39 -3.569 -3.889 4.490 308 3HE MET 39 3HE MET 39 -3.909 -5.476 3.804 309 H VAL 40 HN VAL 40 -6.341 0.992 1.425 310 HA VAL 40 HA VAL 40 -8.603 -0.012 -0.199 311 HB VAL 40 HB VAL 40 -6.537 2.093 -0.896 312 1HG1 VAL 40 1HG1 VAL 40 -8.183 0.816 -2.596 313 2HG1 VAL 40 2HG1 VAL 40 -7.786 2.525 -2.775 314 3HG1 VAL 40 3HG1 VAL 40 -9.299 2.046 -2.006 315 1HG2 VAL 40 1HG2 VAL 40 -8.797 3.481 -0.383 316 2HG2 VAL 40 2HG2 VAL 40 -7.573 3.169 0.848 317 3HG2 VAL 40 3HG2 VAL 40 -9.010 2.152 0.757 318 H VAL 41 HN VAL 41 -8.285 -1.756 -1.454 319 HA VAL 41 HA VAL 41 -5.610 -2.126 -2.731 320 HB VAL 41 HB VAL 41 -6.148 -4.645 -2.552 321 1HG1 VAL 41 1HG1 VAL 41 -5.233 -2.785 -0.412 322 2HG1 VAL 41 2HG1 VAL 41 -4.356 -4.079 -1.228 323 3HG1 VAL 41 3HG1 VAL 41 -5.512 -4.465 0.046 324 1HG2 VAL 41 1HG2 VAL 41 -8.077 -3.475 -0.526 325 2HG2 VAL 41 2HG2 VAL 41 -7.536 -5.151 -0.487 326 3HG2 VAL 41 3HG2 VAL 41 -8.456 -4.555 -1.868 327 H GLY 42 HN GLY 42 -5.774 -2.263 -4.914 328 1HA GLY 42 2HA GLY 42 -8.286 -2.028 -6.254 329 2HA GLY 42 1HA GLY 42 -6.750 -2.384 -7.035 330 H ARG 43 HN ARG 43 -9.343 -3.547 -7.648 331 HA ARG 43 HA ARG 43 -9.851 -6.086 -6.608 332 1HB ARG 43 2HB ARG 43 -11.180 -4.854 -8.375 333 2HB ARG 43 1HB ARG 43 -9.988 -5.400 -9.554 334 1HG ARG 43 2HG ARG 43 -10.901 -7.603 -7.883 335 2HG ARG 43 1HG ARG 43 -12.252 -6.814 -8.697 336 1HD ARG 43 2HD ARG 43 -9.726 -7.758 -10.086 337 2HD ARG 43 1HD ARG 43 -11.247 -8.650 -10.060 338 HE ARG 43 HE ARG 43 -11.609 -5.943 -11.037 339 1HH1 ARG 43 1HH2 ARG 43 -10.566 -9.150 -11.858 340 2HH1 ARG 43 2HH2 ARG 43 -10.912 -8.959 -13.543 341 1HH2 ARG 43 1HH1 ARG 43 -12.054 -5.707 -13.233 342 2HH2 ARG 43 2HH1 ARG 43 -11.751 -7.022 -14.317 343 H ARG 44 HN ARG 44 -7.097 -5.106 -8.537 344 HA ARG 44 HA ARG 44 -6.464 -7.786 -9.469 345 1HB ARG 44 2HB ARG 44 -5.218 -5.099 -9.562 346 2HB ARG 44 1HB ARG 44 -4.094 -6.458 -9.598 347 1HG ARG 44 2HG ARG 44 -6.504 -6.600 -11.357 348 2HG ARG 44 1HG ARG 44 -5.204 -5.507 -11.833 349 1HD ARG 44 2HD ARG 44 -3.586 -7.391 -11.626 350 2HD ARG 44 1HD ARG 44 -4.931 -8.473 -11.262 351 HE ARG 44 HE ARG 44 -4.209 -7.484 -13.894 352 1HH1 ARG 44 1HH1 ARG 44 -6.823 -8.490 -11.843 353 2HH1 ARG 44 2HH1 ARG 44 -7.835 -8.960 -13.166 354 1HH2 ARG 44 1HH2 ARG 44 -5.534 -8.097 -15.605 355 2HH2 ARG 44 2HH2 ARG 44 -7.110 -8.740 -15.285 356 H THR 45 HN THR 45 -5.229 -5.691 -6.840 357 HA THR 45 HA THR 45 -3.403 -7.700 -5.841 358 HB THR 45 HB THR 45 -4.577 -5.474 -4.173 359 HG1 THR 45 HG1 THR 45 -2.593 -5.341 -6.192 360 1HG2 THR 45 1HG2 THR 45 -2.994 -7.193 -3.200 361 2HG2 THR 45 2HG2 THR 45 -2.422 -5.528 -3.092 362 3HG2 THR 45 3HG2 THR 45 -1.771 -6.605 -4.326 363 H TYR 46 HN TYR 46 -6.638 -6.601 -4.763 364 HA TYR 46 HA TYR 46 -6.939 -8.327 -2.554 365 1HB TYR 46 2HB TYR 46 -8.529 -6.480 -3.439 366 2HB TYR 46 1HB TYR 46 -9.209 -7.751 -4.456 367 HD1 TYR 46 HD1 TYR 46 -10.528 -9.544 -3.519 368 HD2 TYR 46 HD2 TYR 46 -8.633 -6.658 -0.968 369 HE1 TYR 46 HE1 TYR 46 -11.866 -10.363 -1.598 370 HE2 TYR 46 HE2 TYR 46 -9.968 -7.475 0.953 371 HH TYR 46 HH TYR 46 -11.238 -9.288 1.673 372 H GLU 47 HN GLU 47 -7.323 -8.980 -6.004 373 HA GLU 47 HA GLU 47 -8.381 -11.670 -5.571 374 1HB GLU 47 2HB GLU 47 -7.599 -10.001 -7.919 375 2HB GLU 47 1HB GLU 47 -7.597 -11.752 -8.133 376 1HG GLU 47 HG2 GLU 47 -9.971 -10.838 -6.700 377 2HG GLU 47 HG1 GLU 47 -9.829 -10.081 -8.286 378 H SER 48 HN SER 48 -5.255 -10.219 -5.638 379 HA SER 48 HA SER 48 -3.930 -12.823 -6.175 380 1HB SER 48 2HB SER 48 -3.143 -10.650 -7.252 381 2HB SER 48 1HB SER 48 -2.601 -10.155 -5.651 382 HG SER 48 HG SER 48 -1.386 -12.158 -5.624 383 H PHE 49 HN PHE 49 -4.808 -10.724 -3.562 384 HA PHE 49 HA PHE 49 -2.909 -11.122 -1.593 385 1HB PHE 49 2HB PHE 49 -5.798 -10.666 -1.642 386 2HB PHE 49 1HB PHE 49 -5.287 -11.564 -0.214 387 HD1 PHE 49 HD1 PHE 49 -4.900 -8.406 -2.099 388 HD2 PHE 49 HD2 PHE 49 -3.859 -10.565 1.463 389 HE1 PHE 49 HE1 PHE 49 -4.033 -6.316 -1.083 390 HE2 PHE 49 HE2 PHE 49 -2.991 -8.480 2.475 391 HZ PHE 49 HZ PHE 49 -3.076 -6.354 1.204 392 HA PRO 50 HA PRO 50 -2.753 -15.497 -0.773 393 1HB PRO 50 2HB PRO 50 -1.627 -15.285 1.769 394 2HB PRO 50 1HB PRO 50 -0.732 -15.272 0.243 395 1HG PRO 50 2HG PRO 50 -1.122 -13.117 2.105 396 2HG PRO 50 1HG PRO 50 -0.155 -13.136 0.624 397 1HD PRO 50 2HD PRO 50 -2.779 -11.961 1.077 398 2HD PRO 50 1HD PRO 50 -1.690 -11.757 -0.303 399 H LYS 51 HN LYS 51 -3.520 -13.742 2.269 400 HA LYS 51 HA LYS 51 -5.896 -15.531 2.559 401 1HB LYS 51 2HB LYS 51 -3.840 -14.797 4.658 402 2HB LYS 51 1HB LYS 51 -5.412 -15.495 5.049 403 1HG LYS 51 2HG LYS 51 -4.890 -17.550 4.117 404 2HG LYS 51 1HG LYS 51 -3.735 -16.857 2.979 405 1HD LYS 51 2HD LYS 51 -2.883 -16.377 5.710 406 2HD LYS 51 1HD LYS 51 -3.144 -18.099 5.435 407 1HE LYS 51 2HE LYS 51 -1.339 -18.262 4.079 408 2HE LYS 51 1HE LYS 51 -1.761 -16.789 3.206 409 1HZ LYS 51 1HE LYS 51 -0.545 -16.819 5.912 410 2HZ LYS 51 2HE LYS 51 -0.796 -15.467 4.914 411 3HZ LYS 51 3HE LYS 51 0.345 -16.649 4.478 412 H ARG 52 HN ARG 52 -7.444 -13.994 2.085 413 HA ARG 52 HA ARG 52 -7.493 -11.602 3.876 414 1HB ARG 52 2HB ARG 52 -8.875 -10.605 1.836 415 2HB ARG 52 1HB ARG 52 -7.118 -10.510 1.872 416 1HG ARG 52 2HG ARG 52 -7.227 -11.468 -0.182 417 2HG ARG 52 1HG ARG 52 -7.523 -12.967 0.686 418 1HD ARG 52 2HD ARG 52 -9.962 -12.534 0.568 419 2HD ARG 52 1HD ARG 52 -9.634 -11.065 -0.349 420 HE ARG 52 HE ARG 52 -8.344 -13.047 -1.792 421 1HH1 ARG 52 1HH1 ARG 52 -11.559 -12.540 -0.584 422 2HH1 ARG 52 2HH1 ARG 52 -12.307 -13.422 -1.871 423 1HH2 ARG 52 1HH2 ARG 52 -9.327 -14.191 -3.459 424 2HH2 ARG 52 2HH2 ARG 52 -11.051 -14.352 -3.491 425 HA PRO 53 HA PRO 53 -8.989 -9.841 3.874 426 1HB PRO 53 2HB PRO 53 -10.591 -9.151 6.075 427 2HB PRO 53 1HB PRO 53 -10.905 -8.748 4.382 428 1HG PRO 53 2HG PRO 53 -12.362 -10.541 6.062 429 2HG PRO 53 1HG PRO 53 -12.667 -10.139 4.367 430 1HD PRO 53 2HD PRO 53 -11.441 -12.540 5.495 431 2HD PRO 53 1HD PRO 53 -12.048 -12.257 3.855 432 H LEU 54 HN LEU 54 -8.052 -8.660 5.837 433 HA LEU 54 HA LEU 54 -6.367 -10.503 7.322 434 1HB LEU 54 2HB LEU 54 -6.731 -7.503 7.404 435 2HB LEU 54 1HB LEU 54 -5.597 -8.348 8.458 436 HG LEU 54 HG LEU 54 -5.563 -8.752 5.469 437 1HD1 LEU 54 1HD1 LEU 54 -5.250 -6.275 6.490 438 2HD1 LEU 54 2HD1 LEU 54 -4.315 -6.860 5.115 439 3HD1 LEU 54 3HD1 LEU 54 -3.615 -6.890 6.732 440 1HD2 LEU 54 1HD2 LEU 54 -3.384 -8.952 7.570 441 2HD2 LEU 54 2HD2 LEU 54 -3.292 -9.487 5.892 442 3HD2 LEU 54 3HD2 LEU 54 -4.351 -10.324 7.027 443 HA PRO 55 HA PRO 55 -8.569 -11.127 11.088 444 1HB PRO 55 2HB PRO 55 -6.346 -10.604 12.820 445 2HB PRO 55 1HB PRO 55 -6.980 -12.169 12.297 446 1HG PRO 55 2HG PRO 55 -4.540 -10.947 11.530 447 2HG PRO 55 1HG PRO 55 -5.228 -12.460 10.930 448 1HD PRO 55 2HD PRO 55 -5.038 -9.908 9.583 449 2HD PRO 55 1HD PRO 55 -5.573 -11.465 8.937 450 H GLU 56 HN GLU 56 -9.982 -9.479 11.505 451 HA GLU 56 HA GLU 56 -10.830 -7.479 12.409 452 1HB GLU 56 2HB GLU 56 -8.358 -7.904 14.101 453 2HB GLU 56 1HB GLU 56 -9.524 -6.618 14.414 454 1HG GLU 56 HG2 GLU 56 -11.112 -8.064 15.188 455 2HG GLU 56 HG1 GLU 56 -10.685 -9.315 14.020 456 H ARG 57 HN ARG 57 -9.716 -6.952 10.052 457 HA ARG 57 HA ARG 57 -8.327 -4.353 10.508 458 1HB ARG 57 2HB ARG 57 -7.420 -6.652 8.840 459 2HB ARG 57 1HB ARG 57 -7.181 -5.032 8.185 460 1HG ARG 57 2HG ARG 57 -5.284 -5.007 9.424 461 2HG ARG 57 1HG ARG 57 -6.355 -4.733 10.798 462 1HD ARG 57 2HD ARG 57 -6.516 -7.452 10.527 463 2HD ARG 57 1HD ARG 57 -4.848 -7.154 10.043 464 HE ARG 57 HE ARG 57 -5.491 -5.720 12.465 465 1HH1 ARG 57 1HH2 ARG 57 -4.705 -8.839 11.169 466 2HH1 ARG 57 2HH2 ARG 57 -3.981 -9.397 12.637 467 1HH2 ARG 57 1HH1 ARG 57 -4.549 -6.455 14.370 468 2HH2 ARG 57 2HH1 ARG 57 -3.893 -8.056 14.441 469 H THR 58 HN THR 58 -9.049 -2.711 9.158 470 HA THR 58 HA THR 58 -11.510 -3.227 7.665 471 HB THR 58 HB THR 58 -9.972 -0.636 7.615 472 HG1 THR 58 HG1 THR 58 -11.733 -1.486 9.662 473 1HG2 THR 58 1HG2 THR 58 -12.594 -1.565 6.838 474 2HG2 THR 58 2HG2 THR 58 -11.850 0.010 6.562 475 3HG2 THR 58 3HG2 THR 58 -12.737 -0.297 8.055 476 H ASN 59 HN ASN 59 -11.457 -3.968 5.603 477 HA ASN 59 HA ASN 59 -9.193 -3.079 3.858 478 1HB ASN 59 2HB ASN 59 -10.440 -5.777 4.251 479 2HB ASN 59 1HB ASN 59 -9.811 -5.358 2.657 480 1HD2 ASN 59 1HD2 ASN 59 -8.833 -5.496 6.115 481 2HD2 ASN 59 2HD2 ASN 59 -7.187 -5.757 5.795 482 H VAL 60 HN VAL 60 -9.804 -2.132 1.957 483 HA VAL 60 HA VAL 60 -12.686 -2.345 1.165 484 HB VAL 60 HB VAL 60 -10.850 0.018 0.678 485 1HG1 VAL 60 1HG1 VAL 60 -13.272 1.055 0.512 486 2HG1 VAL 60 2HG1 VAL 60 -13.741 -0.614 0.187 487 3HG1 VAL 60 3HG1 VAL 60 -12.581 0.197 -0.864 488 1HG2 VAL 60 1HG2 VAL 60 -12.877 -0.469 2.882 489 2HG2 VAL 60 2HG2 VAL 60 -12.196 1.112 2.503 490 3HG2 VAL 60 3HG2 VAL 60 -11.148 -0.186 3.075 491 H VAL 61 HN VAL 61 -13.036 -2.964 -0.981 492 HA VAL 61 HA VAL 61 -10.591 -3.378 -2.631 493 HB VAL 61 HB VAL 61 -13.352 -4.492 -3.165 494 1HG1 VAL 61 1HG1 VAL 61 -12.180 -6.090 -4.512 495 2HG1 VAL 61 2HG1 VAL 61 -10.619 -5.586 -3.866 496 3HG1 VAL 61 3HG1 VAL 61 -11.522 -4.509 -4.930 497 1HG2 VAL 61 1HG2 VAL 61 -13.097 -5.592 -1.182 498 2HG2 VAL 61 2HG2 VAL 61 -11.369 -5.248 -1.101 499 3HG2 VAL 61 3HG2 VAL 61 -11.958 -6.583 -2.092 500 H LEU 62 HN LEU 62 -10.582 -2.652 -4.821 501 HA LEU 62 HA LEU 62 -12.716 -0.659 -5.475 502 1HB LEU 62 2HB LEU 62 -9.809 -0.376 -5.372 503 2HB LEU 62 1HB LEU 62 -10.460 0.072 -6.950 504 HG LEU 62 HG LEU 62 -12.194 1.461 -5.700 505 1HD1 LEU 62 1HD1 LEU 62 -11.937 0.385 -3.508 506 2HD1 LEU 62 2HD1 LEU 62 -11.574 2.107 -3.388 507 3HD1 LEU 62 3HD1 LEU 62 -10.261 0.929 -3.423 508 1HD2 LEU 62 1HD2 LEU 62 -10.838 3.213 -6.149 509 2HD2 LEU 62 2HD2 LEU 62 -9.561 2.043 -6.477 510 3HD2 LEU 62 3HD2 LEU 62 -9.716 2.751 -4.870 511 H THR 63 HN THR 63 -13.766 -1.077 -7.350 512 HA THR 63 HA THR 63 -12.391 -2.646 -9.468 513 HB THR 63 HB THR 63 -13.480 -4.357 -8.131 514 HG1 THR 63 HG1 THR 63 -13.662 -4.444 -10.443 515 1HG2 THR 63 1HG2 THR 63 -15.857 -4.279 -7.625 516 2HG2 THR 63 2HG2 THR 63 -16.032 -2.775 -8.527 517 3HG2 THR 63 3HG2 THR 63 -15.099 -2.802 -7.031 518 H HIS 64 HN HIS 64 -13.542 -2.590 -11.526 519 HA HIS 64 HA HIS 64 -15.023 -0.050 -11.877 520 1HB HIS 64 2HB HIS 64 -13.597 -1.967 -13.697 521 2HB HIS 64 1HB HIS 64 -14.812 -0.884 -14.373 522 HD1 HIS 64 HD1 HIS 64 -13.573 1.022 -15.400 523 HD2 HIS 64 HD2 HIS 64 -11.964 -0.043 -11.706 524 HE1 HIS 64 HE1 HIS 64 -11.743 2.702 -14.906 525 H GLN 65 HN GLN 65 -15.827 -3.198 -11.185 526 HA GLN 65 HA GLN 65 -18.110 -3.452 -13.007 527 1HB GLN 65 2HB GLN 65 -17.031 -5.075 -10.707 528 2HB GLN 65 1HB GLN 65 -18.624 -5.416 -11.383 529 1HG GLN 65 2HG GLN 65 -17.004 -6.821 -12.516 530 2HG GLN 65 1HG GLN 65 -17.555 -5.587 -13.650 531 1HE2 GLN 65 1HE2 GLN 65 -14.868 -6.320 -11.377 532 2HE2 GLN 65 2HE2 GLN 65 -13.709 -5.401 -12.209 533 H GLU 66 HN GLU 66 -20.304 -3.988 -11.847 534 HA GLU 66 HA GLU 66 -20.747 -1.896 -9.754 535 1HB GLU 66 2HB GLU 66 -21.826 -1.860 -12.226 536 2HB GLU 66 1HB GLU 66 -23.032 -2.849 -11.403 537 1HG GLU 66 HG2 GLU 66 -23.694 -1.135 -10.013 538 2HG GLU 66 HG1 GLU 66 -22.099 -0.381 -10.009 539 H ASP 67 HN ASP 67 -20.979 -5.246 -10.510 540 HA ASP 67 HA ASP 67 -22.822 -5.663 -8.197 541 1HB ASP 67 2HB ASP 67 -22.930 -6.709 -10.773 542 2HB ASP 67 1HB ASP 67 -22.241 -8.025 -9.822 543 H TYR 68 HN TYR 68 -19.890 -5.146 -8.015 544 HA TYR 68 HA TYR 68 -18.438 -7.552 -7.535 545 1HB TYR 68 2HB TYR 68 -17.628 -5.064 -7.579 546 2HB TYR 68 1HB TYR 68 -18.026 -5.082 -5.862 547 HD1 TYR 68 HD1 TYR 68 -15.997 -6.778 -8.485 548 HD2 TYR 68 HD2 TYR 68 -16.624 -6.178 -4.278 549 HE1 TYR 68 HE1 TYR 68 -13.866 -7.948 -8.000 550 HE2 TYR 68 HE2 TYR 68 -14.492 -7.347 -3.794 551 HH TYR 68 HH TYR 68 -12.134 -7.772 -5.796 552 H GLN 69 HN GLN 69 -18.960 -9.120 -6.080 553 HA GLN 69 HA GLN 69 -20.549 -8.342 -3.684 554 1HB GLN 69 2HB GLN 69 -20.073 -11.030 -5.000 555 2HB GLN 69 1HB GLN 69 -20.990 -10.807 -3.510 556 1HG GLN 69 2HG GLN 69 -21.679 -9.255 -6.002 557 2HG GLN 69 1HG GLN 69 -22.314 -10.880 -5.737 558 1HE2 GLN 69 1HE2 GLN 69 -22.740 -7.550 -4.925 559 2HE2 GLN 69 2HE2 GLN 69 -23.935 -7.766 -3.739 560 H ALA 70 HN ALA 70 -19.212 -7.874 -1.997 561 HA ALA 70 HA ALA 70 -17.183 -9.919 -1.257 562 1HB ALA 70 1HB ALA 70 -16.449 -7.053 -0.853 563 2HB ALA 70 2HB ALA 70 -16.306 -7.707 -2.485 564 3HB ALA 70 3HB ALA 70 -15.410 -8.445 -1.157 565 H GLN 71 HN GLN 71 -18.885 -10.453 0.319 566 HA GLN 71 HA GLN 71 -19.757 -8.491 2.267 567 1HB GLN 71 2HB GLN 71 -19.870 -11.514 2.177 568 2HB GLN 71 1HB GLN 71 -20.505 -10.581 3.533 569 1HG GLN 71 2HG GLN 71 -22.425 -10.508 2.322 570 2HG GLN 71 1HG GLN 71 -21.602 -9.259 1.388 571 1HE2 GLN 71 1HE2 GLN 71 -21.785 -12.868 1.501 572 2HE2 GLN 71 2HE2 GLN 71 -21.754 -13.064 -0.185 573 H GLY 72 HN GLY 72 -18.820 -7.960 4.203 574 1HA GLY 72 2HA GLY 72 -17.458 -8.526 6.161 575 2HA GLY 72 1HA GLY 72 -16.505 -9.597 5.131 576 H ALA 73 HN ALA 73 -16.241 -7.771 2.918 577 HA ALA 73 HA ALA 73 -14.432 -5.749 4.170 578 1HB ALA 73 1HB ALA 73 -12.903 -6.054 2.415 579 2HB ALA 73 2HB ALA 73 -14.122 -6.757 1.351 580 3HB ALA 73 3HB ALA 73 -13.487 -7.693 2.704 581 H VAL 74 HN VAL 74 -14.484 -3.667 3.362 582 HA VAL 74 HA VAL 74 -16.945 -2.639 2.364 583 HB VAL 74 HB VAL 74 -14.254 -1.323 1.940 584 1HG1 VAL 74 1HG1 VAL 74 -15.951 0.633 2.678 585 2HG1 VAL 74 2HG1 VAL 74 -17.110 -0.482 1.954 586 3HG1 VAL 74 3HG1 VAL 74 -15.761 0.132 0.998 587 1HG2 VAL 74 1HG2 VAL 74 -15.891 -1.703 4.443 588 2HG2 VAL 74 2HG2 VAL 74 -14.864 -0.282 4.252 589 3HG2 VAL 74 3HG2 VAL 74 -14.152 -1.895 4.222 590 H VAL 75 HN VAL 75 -17.351 -1.650 0.179 591 HA VAL 75 HA VAL 75 -15.640 -2.691 -2.000 592 HB VAL 75 HB VAL 75 -18.636 -3.176 -1.872 593 1HG1 VAL 75 1HG1 VAL 75 -18.087 -2.981 -4.146 594 2HG1 VAL 75 2HG1 VAL 75 -17.918 -4.713 -3.858 595 3HG1 VAL 75 3HG1 VAL 75 -16.486 -3.685 -3.918 596 1HG2 VAL 75 1HG2 VAL 75 -16.250 -4.941 -1.331 597 2HG2 VAL 75 2HG2 VAL 75 -17.777 -5.626 -1.884 598 3HG2 VAL 75 3HG2 VAL 75 -17.709 -4.739 -0.361 599 H VAL 76 HN VAL 76 -15.410 -1.064 -3.497 600 HA VAL 76 HA VAL 76 -17.636 0.864 -3.857 601 HB VAL 76 HB VAL 76 -15.970 2.760 -3.749 602 1HG1 VAL 76 1HG1 VAL 76 -17.453 2.452 -1.883 603 2HG1 VAL 76 2HG1 VAL 76 -15.841 2.709 -1.214 604 3HG1 VAL 76 3HG1 VAL 76 -16.516 1.082 -1.288 605 1HG2 VAL 76 1HG2 VAL 76 -14.058 1.622 -2.015 606 2HG2 VAL 76 2HG2 VAL 76 -13.786 2.198 -3.659 607 3HG2 VAL 76 3HG2 VAL 76 -14.182 0.504 -3.374 608 H HIS 77 HN HIS 77 -17.304 2.207 -5.824 609 HA HIS 77 HA HIS 77 -15.363 1.027 -7.759 610 1HB HIS 77 2HB HIS 77 -18.165 1.766 -8.599 611 2HB HIS 77 1HB HIS 77 -17.002 0.740 -9.435 612 HD1 HIS 77 HD1 HIS 77 -16.220 -1.181 -7.182 613 HD2 HIS 77 HD2 HIS 77 -20.158 -0.054 -7.947 614 HE1 HIS 77 HE1 HIS 77 -17.688 -3.005 -6.214 615 H ASP 78 HN ASP 78 -15.427 3.553 -6.189 616 HA ASP 78 HA ASP 78 -14.776 5.361 -8.356 617 1HB ASP 78 2HB ASP 78 -17.430 5.321 -7.944 618 2HB ASP 78 1HB ASP 78 -16.979 6.473 -6.687 619 H VAL 79 HN VAL 79 -12.941 6.142 -7.453 620 HA VAL 79 HA VAL 79 -12.091 6.222 -4.848 621 HB VAL 79 HB VAL 79 -11.682 8.350 -6.967 622 1HG1 VAL 79 1HG1 VAL 79 -9.475 8.531 -5.454 623 2HG1 VAL 79 2HG1 VAL 79 -10.617 8.042 -4.201 624 3HG1 VAL 79 3HG1 VAL 79 -10.908 9.508 -5.136 625 1HG2 VAL 79 1HG2 VAL 79 -9.511 6.500 -6.215 626 2HG2 VAL 79 2HG2 VAL 79 -10.058 7.001 -7.814 627 3HG2 VAL 79 3HG2 VAL 79 -10.905 5.714 -6.957 628 H ALA 80 HN ALA 80 -14.384 8.475 -6.314 629 HA ALA 80 HA ALA 80 -14.430 10.448 -4.270 630 1HB ALA 80 1HB ALA 80 -17.087 10.053 -5.260 631 2HB ALA 80 2HB ALA 80 -15.959 9.807 -6.593 632 3HB ALA 80 3HB ALA 80 -15.939 11.321 -5.690 633 H ALA 81 HN ALA 81 -16.233 7.392 -4.567 634 HA ALA 81 HA ALA 81 -17.826 7.753 -2.210 635 1HB ALA 81 1HB ALA 81 -16.981 5.346 -3.817 636 2HB ALA 81 2HB ALA 81 -18.581 6.076 -3.686 637 3HB ALA 81 3HB ALA 81 -17.915 5.163 -2.332 638 H VAL 82 HN VAL 82 -14.725 6.032 -2.731 639 HA VAL 82 HA VAL 82 -14.403 5.071 -0.085 640 HB VAL 82 HB VAL 82 -12.115 6.073 -1.789 641 1HG1 VAL 82 1HG1 VAL 82 -12.200 4.850 0.693 642 2HG1 VAL 82 2HG1 VAL 82 -10.811 4.858 -0.392 643 3HG1 VAL 82 3HG1 VAL 82 -11.928 3.494 -0.400 644 1HG2 VAL 82 1HG2 VAL 82 -12.616 3.293 -2.222 645 2HG2 VAL 82 2HG2 VAL 82 -12.663 4.601 -3.403 646 3HG2 VAL 82 3HG2 VAL 82 -14.122 4.158 -2.520 647 H PHE 83 HN PHE 83 -13.467 8.205 -1.497 648 HA PHE 83 HA PHE 83 -12.108 9.247 0.766 649 1HB PHE 83 2HB PHE 83 -13.502 10.417 -1.598 650 2HB PHE 83 1HB PHE 83 -13.146 11.496 -0.249 651 HD1 PHE 83 HD1 PHE 83 -11.861 10.171 -3.237 652 HD2 PHE 83 HD2 PHE 83 -10.689 11.163 0.773 653 HE1 PHE 83 HE1 PHE 83 -9.493 10.317 -3.961 654 HE2 PHE 83 HE2 PHE 83 -8.324 11.307 0.046 655 HZ PHE 83 HZ PHE 83 -7.728 10.878 -2.320 656 H ALA 84 HN ALA 84 -15.556 9.043 0.036 657 HA ALA 84 HA ALA 84 -16.482 10.810 2.083 658 1HB ALA 84 1HB ALA 84 -17.704 9.412 0.103 659 2HB ALA 84 2HB ALA 84 -18.572 10.126 1.461 660 3HB ALA 84 3HB ALA 84 -18.135 8.418 1.495 661 H TYR 85 HN TYR 85 -16.280 7.226 2.123 662 HA TYR 85 HA TYR 85 -17.055 6.709 4.724 663 1HB TYR 85 2HB TYR 85 -16.089 5.159 2.797 664 2HB TYR 85 1HB TYR 85 -14.606 5.305 3.740 665 HD1 TYR 85 HD1 TYR 85 -18.271 4.653 4.225 666 HD2 TYR 85 HD2 TYR 85 -14.255 3.824 5.507 667 HE1 TYR 85 HE1 TYR 85 -19.132 2.980 5.841 668 HE2 TYR 85 HE2 TYR 85 -15.116 2.152 7.123 669 HH TYR 85 HH TYR 85 -17.338 0.663 7.218 670 H ALA 86 HN ALA 86 -13.659 7.395 3.770 671 HA ALA 86 HA ALA 86 -12.530 7.354 6.348 672 1HB ALA 86 1HB ALA 86 -10.809 7.669 4.906 673 2HB ALA 86 2HB ALA 86 -11.144 9.388 5.108 674 3HB ALA 86 3HB ALA 86 -11.827 8.511 3.739 675 H LYS 87 HN LYS 87 -14.042 10.096 4.645 676 HA LYS 87 HA LYS 87 -13.610 12.024 6.716 677 1HB LYS 87 2HB LYS 87 -14.368 12.423 4.292 678 2HB LYS 87 1HB LYS 87 -15.988 12.005 4.851 679 1HG LYS 87 2HG LYS 87 -16.092 14.258 5.261 680 2HG LYS 87 1HG LYS 87 -15.312 13.777 6.768 681 1HD LYS 87 2HD LYS 87 -13.288 14.658 6.163 682 2HD LYS 87 1HD LYS 87 -13.502 14.245 4.462 683 1HE LYS 87 2HE LYS 87 -15.181 16.089 4.272 684 2HE LYS 87 1HE LYS 87 -14.820 16.543 5.937 685 1HZ LYS 87 1HE LYS 87 -13.041 17.643 5.254 686 2HZ LYS 87 2HE LYS 87 -13.471 17.319 3.643 687 3HZ LYS 87 3HE LYS 87 -12.419 16.273 4.472 688 H GLN 88 HN GLN 88 -15.954 9.464 6.341 689 HA GLN 88 HA GLN 88 -17.715 10.567 8.424 690 1HB GLN 88 2HB GLN 88 -17.776 8.118 6.679 691 2HB GLN 88 1HB GLN 88 -18.857 8.260 8.066 692 1HG GLN 88 2HG GLN 88 -19.905 10.202 7.192 693 2HG GLN 88 1HG GLN 88 -18.622 10.458 6.009 694 1HE2 GLN 88 1HE2 GLN 88 -18.350 8.375 4.483 695 2HE2 GLN 88 2HE2 GLN 88 -19.806 7.737 3.888 696 H HIS 89 HN HIS 89 -15.304 7.935 8.148 697 HA HIS 89 HA HIS 89 -15.909 7.046 10.884 698 1HB HIS 89 2HB HIS 89 -14.225 6.099 8.619 699 2HB HIS 89 1HB HIS 89 -13.702 5.656 10.244 700 HD1 HIS 89 HD1 HIS 89 -14.874 3.711 11.297 701 HD2 HIS 89 HD2 HIS 89 -17.059 5.298 8.121 702 HE1 HIS 89 HE1 HIS 89 -16.862 2.180 10.960 703 HA PRO 90 HA PRO 90 -12.736 9.883 12.453 704 1HB PRO 90 2HB PRO 90 -13.693 9.740 15.047 705 2HB PRO 90 1HB PRO 90 -14.267 10.880 13.820 706 1HG PRO 90 2HG PRO 90 -15.672 8.659 15.003 707 2HG PRO 90 1HG PRO 90 -16.278 9.874 13.868 708 1HD PRO 90 2HD PRO 90 -15.446 7.120 13.340 709 2HD PRO 90 1HD PRO 90 -16.345 8.239 12.300 710 H ASP 91 HN ASP 91 -12.939 6.638 12.623 711 HA ASP 91 HA ASP 91 -10.621 6.458 14.494 712 1HB ASP 91 2HB ASP 91 -13.237 5.194 14.767 713 2HB ASP 91 1HB ASP 91 -11.939 4.002 14.719 714 H GLN 92 HN GLN 92 -11.504 6.212 11.421 715 HA GLN 92 HA GLN 92 -9.464 4.153 10.822 716 1HB GLN 92 2HB GLN 92 -12.224 3.589 10.675 717 2HB GLN 92 1HB GLN 92 -11.733 3.903 9.012 718 1HG GLN 92 2HG GLN 92 -10.769 1.877 8.900 719 2HG GLN 92 1HG GLN 92 -9.714 2.294 10.247 720 1HE2 GLN 92 1HE2 GLN 92 -13.052 1.113 9.590 721 2HE2 GLN 92 2HE2 GLN 92 -13.169 0.198 11.015 722 H GLU 93 HN GLU 93 -8.052 5.509 9.619 723 HA GLU 93 HA GLU 93 -9.222 7.642 7.992 724 1HB GLU 93 2HB GLU 93 -6.470 6.809 8.833 725 2HB GLU 93 1HB GLU 93 -6.641 7.839 7.414 726 1HG GLU 93 HG2 GLU 93 -8.086 9.372 8.820 727 2HG GLU 93 HG1 GLU 93 -7.613 8.411 10.222 728 H LEU 94 HN LEU 94 -7.510 7.689 5.830 729 HA LEU 94 HA LEU 94 -8.414 5.281 4.322 730 1HB LEU 94 2HB LEU 94 -8.953 7.819 3.717 731 2HB LEU 94 1HB LEU 94 -7.371 7.721 2.950 732 HG LEU 94 HG LEU 94 -8.313 5.476 1.951 733 1HD1 LEU 94 1HD1 LEU 94 -10.720 6.920 2.998 734 2HD1 LEU 94 2HD1 LEU 94 -10.397 5.188 2.933 735 3HD1 LEU 94 3HD1 LEU 94 -10.855 6.055 1.468 736 1HD2 LEU 94 1HD2 LEU 94 -9.585 7.106 0.219 737 2HD2 LEU 94 2HD2 LEU 94 -7.827 7.017 0.313 738 3HD2 LEU 94 3HD2 LEU 94 -8.688 8.317 1.135 739 H VAL 95 HN VAL 95 -6.854 3.811 3.882 740 HA VAL 95 HA VAL 95 -4.039 4.787 3.559 741 HB VAL 95 HB VAL 95 -4.927 2.063 4.568 742 1HG1 VAL 95 1HG1 VAL 95 -2.621 2.631 3.288 743 2HG1 VAL 95 2HG1 VAL 95 -2.714 1.463 4.605 744 3HG1 VAL 95 3HG1 VAL 95 -2.166 3.108 4.923 745 1HG2 VAL 95 1HG2 VAL 95 -3.491 3.283 6.580 746 2HG2 VAL 95 2HG2 VAL 95 -5.251 3.197 6.511 747 3HG2 VAL 95 3HG2 VAL 95 -4.415 4.631 5.916 748 H ILE 96 HN ILE 96 -3.231 4.415 1.543 749 HA ILE 96 HA ILE 96 -4.844 2.738 -0.289 750 HB ILE 96 HB ILE 96 -2.478 4.469 -0.984 751 1HG1 ILE 96 2HG1 ILE 96 -4.082 5.898 0.151 752 2HG1 ILE 96 1HG1 ILE 96 -4.188 6.202 -1.584 753 1HG2 ILE 96 1HG2 ILE 96 -4.400 2.828 -2.448 754 2HG2 ILE 96 2HG2 ILE 96 -2.860 3.497 -2.983 755 3HG2 ILE 96 3HG2 ILE 96 -4.321 4.482 -3.054 756 1HD1 ILE 96 1HD1 ILE 96 -6.112 4.627 -1.710 757 2HD1 ILE 96 2HD1 ILE 96 -6.439 6.001 -0.652 758 3HD1 ILE 96 3HD1 ILE 96 -6.036 4.430 0.040 759 H ALA 97 HN ALA 97 -4.199 0.583 -0.008 760 HA ALA 97 HA ALA 97 -1.344 -0.055 0.184 761 1HB ALA 97 1HB ALA 97 -2.466 -2.465 -0.077 762 2HB ALA 97 2HB ALA 97 -3.921 -1.562 0.347 763 3HB ALA 97 3HB ALA 97 -2.542 -1.577 1.445 764 H GLY 98 HN GLY 98 -3.136 0.901 -2.357 765 1HA GLY 98 2HA GLY 98 -2.318 0.884 -4.611 766 2HA GLY 98 1HA GLY 98 -1.418 -0.587 -4.250 767 H GLY 99 HN GLY 99 -3.923 -2.198 -6.189 768 1HA GLY 99 2HA GLY 99 -1.131 -1.892 -5.609 769 2HA GLY 99 1HA GLY 99 -1.811 -2.470 -7.123 770 H ALA 100 HN ALA 100 -0.516 -1.304 -8.506 771 HA ALA 100 HA ALA 100 0.258 1.420 -8.218 772 1HB ALA 100 1HB ALA 100 1.515 0.722 -9.949 773 2HB ALA 100 2HB ALA 100 0.097 0.918 -10.979 774 3HB ALA 100 3HB ALA 100 0.443 -0.646 -10.242 775 H GLN 101 HN GLN 101 -2.493 -0.007 -9.974 776 HA GLN 101 HA GLN 101 -3.473 2.344 -11.166 777 1HB GLN 101 2HB GLN 101 -4.517 -0.299 -10.523 778 2HB GLN 101 1HB GLN 101 -5.765 0.940 -10.386 779 1HG GLN 101 2HG GLN 101 -5.805 1.316 -12.624 780 2HG GLN 101 1HG GLN 101 -4.048 1.244 -12.759 781 1HE2 GLN 101 1HE2 GLN 101 -3.132 -1.110 -12.498 782 2HE2 GLN 101 2HE2 GLN 101 -4.026 -2.349 -13.239 783 H ILE 102 HN ILE 102 -4.008 1.151 -7.821 784 HA ILE 102 HA ILE 102 -5.856 3.309 -7.231 785 HB ILE 102 HB ILE 102 -4.336 1.633 -5.225 786 1HG1 ILE 102 2HG1 ILE 102 -5.366 0.137 -6.904 787 2HG1 ILE 102 1HG1 ILE 102 -6.214 0.027 -5.364 788 1HG2 ILE 102 1HG2 ILE 102 -7.160 2.315 -4.782 789 2HG2 ILE 102 2HG2 ILE 102 -6.110 3.727 -4.905 790 3HG2 ILE 102 3HG2 ILE 102 -5.779 2.483 -3.700 791 1HD1 ILE 102 1HD1 ILE 102 -7.343 0.615 -7.876 792 2HD1 ILE 102 2HD1 ILE 102 -7.361 2.135 -6.983 793 3HD1 ILE 102 3HD1 ILE 102 -8.139 0.706 -6.306 794 H PHE 103 HN PHE 103 -2.350 2.972 -7.108 795 HA PHE 103 HA PHE 103 -1.954 5.142 -5.227 796 1HB PHE 103 2HB PHE 103 -0.156 3.788 -7.252 797 2HB PHE 103 1HB PHE 103 0.395 5.114 -6.235 798 HD1 PHE 103 HD1 PHE 103 0.881 1.850 -6.451 799 HD2 PHE 103 HD2 PHE 103 -0.912 4.586 -3.665 800 HE1 PHE 103 HE1 PHE 103 1.324 0.258 -4.604 801 HE2 PHE 103 HE2 PHE 103 -0.463 2.996 -1.822 802 HZ PHE 103 HZ PHE 103 0.651 0.830 -2.287 803 H THR 104 HN THR 104 -2.568 4.918 -8.655 804 HA THR 104 HA THR 104 -1.555 7.581 -9.276 805 HB THR 104 HB THR 104 -3.546 6.125 -10.988 806 HG1 THR 104 HG1 THR 104 -0.926 5.353 -10.339 807 1HG2 THR 104 1HG2 THR 104 -2.723 8.290 -11.743 808 2HG2 THR 104 2HG2 THR 104 -2.050 7.023 -12.768 809 3HG2 THR 104 3HG2 THR 104 -1.055 7.766 -11.516 810 H ALA 105 HN ALA 105 -4.841 6.152 -9.039 811 HA ALA 105 HA ALA 105 -6.237 8.603 -9.448 812 1HB ALA 105 1HB ALA 105 -6.985 6.079 -7.957 813 2HB ALA 105 2HB ALA 105 -7.486 6.569 -9.576 814 3HB ALA 105 3HB ALA 105 -8.104 7.427 -8.164 815 H PHE 106 HN PHE 106 -4.707 7.273 -6.582 816 HA PHE 106 HA PHE 106 -5.901 9.412 -4.904 817 1HB PHE 106 2HB PHE 106 -4.289 6.935 -4.285 818 2HB PHE 106 1HB PHE 106 -4.636 8.158 -3.064 819 HD1 PHE 106 HD1 PHE 106 -6.770 8.304 -2.035 820 HD2 PHE 106 HD2 PHE 106 -6.219 5.794 -5.469 821 HE1 PHE 106 HE1 PHE 106 -9.009 7.312 -1.670 822 HE2 PHE 106 HE2 PHE 106 -8.457 4.799 -5.105 823 HZ PHE 106 HZ PHE 106 -9.853 5.558 -3.204 824 H LYS 107 HN LYS 107 -3.145 9.071 -6.825 825 HA LYS 107 HA LYS 107 -1.060 10.018 -5.206 826 1HB LYS 107 2HB LYS 107 0.031 10.745 -7.238 827 2HB LYS 107 1HB LYS 107 -0.825 9.242 -7.564 828 1HG LYS 107 2HG LYS 107 -1.826 10.284 -9.285 829 2HG LYS 107 1HG LYS 107 -2.700 11.254 -8.107 830 1HD LYS 107 2HD LYS 107 -0.248 12.507 -8.169 831 2HD LYS 107 1HD LYS 107 -0.445 11.998 -9.845 832 1HE LYS 107 2HE LYS 107 -2.513 13.545 -8.258 833 2HE LYS 107 1HE LYS 107 -1.401 14.260 -9.422 834 1HZ LYS 107 1HE LYS 107 -2.546 13.441 -11.153 835 2HZ LYS 107 2HE LYS 107 -3.832 13.373 -10.046 836 3HZ LYS 107 3HE LYS 107 -2.919 11.980 -10.377 837 H ASP 108 HN ASP 108 -3.582 11.994 -6.850 838 HA ASP 108 HA ASP 108 -2.392 14.508 -6.143 839 1HB ASP 108 2HB ASP 108 -4.420 13.803 -7.772 840 2HB ASP 108 1HB ASP 108 -5.350 14.332 -6.370 841 H ASP 109 HN ASP 109 -4.730 12.419 -4.489 842 HA ASP 109 HA ASP 109 -4.845 14.361 -2.238 843 1HB ASP 109 2HB ASP 109 -6.604 12.187 -3.252 844 2HB ASP 109 1HB ASP 109 -6.564 12.415 -1.503 845 H VAL 110 HN VAL 110 -2.736 13.902 -1.344 846 HA VAL 110 HA VAL 110 -2.537 11.184 -0.109 847 HB VAL 110 HB VAL 110 -0.242 12.961 -0.981 848 1HG1 VAL 110 1HG1 VAL 110 0.874 10.578 -0.672 849 2HG1 VAL 110 2HG1 VAL 110 -0.492 10.325 0.415 850 3HG1 VAL 110 3HG1 VAL 110 0.637 11.646 0.711 851 1HG2 VAL 110 1HG2 VAL 110 -0.337 10.462 -2.372 852 2HG2 VAL 110 2HG2 VAL 110 -0.459 12.087 -3.041 853 3HG2 VAL 110 3HG2 VAL 110 -1.916 11.232 -2.531 854 H ASP 111 HN ASP 111 -1.814 11.134 2.057 855 HA ASP 111 HA ASP 111 -1.441 13.787 3.378 856 1HB ASP 111 2HB ASP 111 -3.672 12.147 3.690 857 2HB ASP 111 1HB ASP 111 -2.673 11.759 5.091 858 H THR 112 HN THR 112 -0.786 10.312 3.381 859 HA THR 112 HA THR 112 1.719 10.857 4.886 860 HB THR 112 HB THR 112 -0.079 8.537 5.613 861 HG1 THR 112 HG1 THR 112 -1.241 10.151 6.375 862 1HG2 THR 112 1HG2 THR 112 2.496 8.671 6.073 863 2HG2 THR 112 2HG2 THR 112 1.412 8.157 7.365 864 3HG2 THR 112 3HG2 THR 112 2.024 9.811 7.334 865 H LEU 113 HN LEU 113 3.420 9.619 4.158 866 HA LEU 113 HA LEU 113 2.768 7.531 2.107 867 1HB LEU 113 2HB LEU 113 5.253 9.261 2.250 868 2HB LEU 113 1HB LEU 113 4.862 8.098 0.986 869 HG LEU 113 HG LEU 113 2.888 10.266 1.603 870 1HD1 LEU 113 1HD1 LEU 113 4.016 11.891 0.332 871 2HD1 LEU 113 2HD1 LEU 113 5.110 10.707 -0.382 872 3HD1 LEU 113 3HD1 LEU 113 5.310 11.188 1.302 873 1HD2 LEU 113 1HD2 LEU 113 3.698 8.567 -0.753 874 2HD2 LEU 113 2HD2 LEU 113 2.741 10.030 -0.983 875 3HD2 LEU 113 3HD2 LEU 113 2.113 8.711 0.006 876 H LEU 114 HN LEU 114 3.503 5.503 2.525 877 HA LEU 114 HA LEU 114 5.669 5.182 4.559 878 1HB LEU 114 2HB LEU 114 3.297 3.333 4.148 879 2HB LEU 114 1HB LEU 114 4.542 3.188 5.389 880 HG LEU 114 HG LEU 114 3.028 5.762 5.216 881 1HD1 LEU 114 1HD1 LEU 114 1.895 3.108 5.999 882 2HD1 LEU 114 2HD1 LEU 114 1.098 4.489 5.248 883 3HD1 LEU 114 3HD1 LEU 114 1.464 4.513 6.973 884 1HD2 LEU 114 1HD2 LEU 114 3.383 5.693 7.649 885 2HD2 LEU 114 2HD2 LEU 114 4.906 5.429 6.800 886 3HD2 LEU 114 3HD2 LEU 114 4.049 4.065 7.517 887 H VAL 115 HN VAL 115 7.382 4.533 3.410 888 HA VAL 115 HA VAL 115 6.959 2.420 1.320 889 HB VAL 115 HB VAL 115 7.466 4.633 0.326 890 1HG1 VAL 115 1HG1 VAL 115 10.122 4.329 1.753 891 2HG1 VAL 115 2HG1 VAL 115 8.859 5.476 2.201 892 3HG1 VAL 115 3HG1 VAL 115 9.676 5.627 0.645 893 1HG2 VAL 115 1HG2 VAL 115 8.130 2.657 -0.909 894 2HG2 VAL 115 2HG2 VAL 115 9.589 2.485 0.067 895 3HG2 VAL 115 3HG2 VAL 115 9.428 3.845 -1.045 896 H THR 116 HN THR 116 8.358 0.714 1.268 897 HA THR 116 HA THR 116 10.453 0.620 3.401 898 HB THR 116 HB THR 116 9.496 -1.857 2.020 899 HG1 THR 116 HG1 THR 116 7.729 -1.966 3.409 900 1HG2 THR 116 1HG2 THR 116 11.192 -2.216 3.618 901 2HG2 THR 116 2HG2 THR 116 9.706 -2.625 4.475 902 3HG2 THR 116 3HG2 THR 116 10.484 -1.067 4.753 903 H ARG 117 HN ARG 117 12.397 1.127 2.428 904 HA ARG 117 HA ARG 117 12.865 0.235 -0.364 905 1HB ARG 117 2HB ARG 117 14.395 2.097 1.468 906 2HB ARG 117 1HB ARG 117 14.943 1.652 -0.148 907 1HG ARG 117 2HG ARG 117 12.171 2.451 -0.254 908 2HG ARG 117 1HG ARG 117 13.117 3.707 0.543 909 1HD ARG 117 2HD ARG 117 14.735 2.973 -1.585 910 2HD ARG 117 1HD ARG 117 13.111 2.881 -2.268 911 HE ARG 117 HE ARG 117 13.635 5.327 -0.740 912 1HH1 ARG 117 1HH2 ARG 117 13.742 3.728 -3.825 913 2HH1 ARG 117 2HH2 ARG 117 13.692 5.207 -4.720 914 1HH2 ARG 117 1HH1 ARG 117 13.579 7.236 -1.918 915 2HH2 ARG 117 2HH1 ARG 117 13.602 7.182 -3.649 916 H LEU 118 HN LEU 118 13.870 -1.660 -0.692 917 HA LEU 118 HA LEU 118 15.385 -2.944 1.490 918 1HB LEU 118 2HB LEU 118 14.709 -3.873 -1.319 919 2HB LEU 118 1HB LEU 118 15.551 -4.851 -0.116 920 HG LEU 118 HG LEU 118 13.522 -4.343 1.413 921 1HD1 LEU 118 1HD1 LEU 118 12.597 -3.386 -1.276 922 2HD1 LEU 118 2HD1 LEU 118 12.306 -2.684 0.315 923 3HD1 LEU 118 3HD1 LEU 118 11.436 -4.136 -0.179 924 1HD2 LEU 118 1HD2 LEU 118 13.638 -6.181 -0.953 925 2HD2 LEU 118 2HD2 LEU 118 12.154 -6.120 -0.002 926 3HD2 LEU 118 3HD2 LEU 118 13.675 -6.571 0.767 927 H ALA 119 HN ALA 119 17.597 -3.773 1.076 928 HA ALA 119 HA ALA 119 19.205 -1.748 -0.327 929 1HB ALA 119 1HB ALA 119 19.624 -3.195 1.958 930 2HB ALA 119 2HB ALA 119 20.901 -2.395 1.043 931 3HB ALA 119 3HB ALA 119 20.579 -4.110 0.791 932 H GLY 120 HN GLY 120 18.054 -4.994 -0.895 933 1HA GLY 120 2HA GLY 120 20.063 -5.644 -2.905 934 2HA GLY 120 1HA GLY 120 18.574 -6.541 -2.601 935 H SER 121 HN SER 121 19.208 -6.206 -5.212 936 HA SER 121 HA SER 121 17.327 -4.056 -6.104 937 1HB SER 121 2HB SER 121 18.693 -3.682 -8.051 938 2HB SER 121 1HB SER 121 19.760 -3.622 -6.652 939 HG SER 121 HG SER 121 20.770 -4.988 -7.996 940 H PHE 122 HN PHE 122 15.522 -5.030 -6.867 941 HA PHE 122 HA PHE 122 15.813 -7.662 -8.251 942 1HB PHE 122 2HB PHE 122 13.311 -6.477 -7.014 943 2HB PHE 122 1HB PHE 122 13.521 -8.123 -7.618 944 HD1 PHE 122 HD1 PHE 122 14.512 -9.818 -6.266 945 HD2 PHE 122 HD2 PHE 122 14.698 -5.707 -5.043 946 HE1 PHE 122 HE1 PHE 122 15.400 -10.515 -4.057 947 HE2 PHE 122 HE2 PHE 122 15.582 -6.401 -2.834 948 HZ PHE 122 HZ PHE 122 15.933 -8.805 -2.339 949 H GLU 123 HN GLU 123 14.280 -7.995 -10.096 950 HA GLU 123 HA GLU 123 13.911 -5.430 -11.589 951 1HB GLU 123 2HB GLU 123 14.338 -8.252 -12.609 952 2HB GLU 123 1HB GLU 123 14.000 -6.861 -13.639 953 1HG GLU 123 HG2 GLU 123 16.239 -6.540 -13.691 954 2HG GLU 123 HG1 GLU 123 16.075 -5.958 -12.034 955 H GLY 124 HN GLY 124 12.003 -5.259 -12.945 956 1HA GLY 124 2HA GLY 124 9.852 -7.166 -12.888 957 2HA GLY 124 1HA GLY 124 9.561 -5.898 -11.696 958 H ASP 125 HN ASP 125 7.678 -5.251 -13.104 959 HA ASP 125 HA ASP 125 8.609 -3.417 -15.245 960 1HB ASP 125 2HB ASP 125 6.401 -5.481 -15.461 961 2HB ASP 125 1HB ASP 125 6.560 -4.120 -16.572 962 H THR 126 HN THR 126 6.652 -4.095 -12.539 963 HA THR 126 HA THR 126 4.993 -1.653 -13.006 964 HB THR 126 HB THR 126 4.504 -3.821 -10.946 965 HG1 THR 126 HG1 THR 126 3.423 -4.904 -12.415 966 1HG2 THR 126 1HG2 THR 126 2.349 -2.163 -12.148 967 2HG2 THR 126 2HG2 THR 126 3.462 -1.339 -11.056 968 3HG2 THR 126 3HG2 THR 126 2.541 -2.732 -10.490 969 H LYS 127 HN LYS 127 5.641 0.105 -11.853 970 HA LYS 127 HA LYS 127 7.004 -0.379 -9.237 971 1HB LYS 127 2HB LYS 127 7.737 1.738 -11.281 972 2HB LYS 127 1HB LYS 127 8.528 1.476 -9.726 973 1HG LYS 127 2HG LYS 127 9.470 -0.564 -10.403 974 2HG LYS 127 1HG LYS 127 8.307 -0.777 -11.709 975 1HD LYS 127 2HD LYS 127 9.847 0.097 -13.103 976 2HD LYS 127 1HD LYS 127 9.601 1.644 -12.292 977 1HE LYS 127 2HE LYS 127 11.265 0.577 -10.511 978 2HE LYS 127 1HE LYS 127 11.773 -0.376 -11.905 979 1HZ LYS 127 1HE LYS 127 11.903 2.536 -11.502 980 2HZ LYS 127 2HE LYS 127 11.820 1.905 -13.077 981 3HZ LYS 127 3HE LYS 127 13.106 1.476 -12.054 982 H MET 128 HN MET 128 6.943 1.617 -7.828 983 HA MET 128 HA MET 128 4.263 2.538 -7.508 984 1HB MET 128 2HB MET 128 6.456 2.539 -5.921 985 2HB MET 128 1HB MET 128 6.451 4.230 -6.422 986 1HG MET 128 2HG MET 128 3.808 3.149 -5.649 987 2HG MET 128 1HG MET 128 4.980 3.256 -4.338 988 1HE MET 128 1HE MET 128 2.984 4.937 -3.369 989 2HE MET 128 2HE MET 128 2.163 4.725 -4.914 990 3HE MET 128 3HE MET 128 2.432 6.348 -4.283 991 H ILE 129 HN ILE 129 3.421 4.704 -7.810 992 HA ILE 129 HA ILE 129 4.198 5.882 -10.341 993 HB ILE 129 HB ILE 129 2.465 7.611 -9.716 994 1HG1 ILE 129 2HG1 ILE 129 1.370 6.102 -7.501 995 2HG1 ILE 129 1HG1 ILE 129 3.008 6.625 -7.120 996 1HG2 ILE 129 1HG2 ILE 129 0.824 6.202 -10.430 997 2HG2 ILE 129 2HG2 ILE 129 1.136 5.029 -9.150 998 3HG2 ILE 129 3HG2 ILE 129 2.150 5.051 -10.593 999 1HD1 ILE 129 1HD1 ILE 129 1.669 8.805 -8.398 1000 2HD1 ILE 129 2HD1 ILE 129 2.253 8.708 -6.738 1001 3HD1 ILE 129 3HD1 ILE 129 0.616 8.186 -7.127 1002 HA PRO 130 HA PRO 130 7.023 9.058 -9.177 1003 1HB PRO 130 2HB PRO 130 5.696 11.225 -10.509 1004 2HB PRO 130 1HB PRO 130 7.078 10.278 -11.075 1005 1HG PRO 130 2HG PRO 130 4.454 10.240 -12.103 1006 2HG PRO 130 1HG PRO 130 5.787 9.159 -12.531 1007 1HD PRO 130 2HD PRO 130 3.431 8.614 -10.906 1008 2HD PRO 130 1HD PRO 130 4.601 7.478 -11.592 1009 H LEU 131 HN LEU 131 6.667 9.353 -6.949 1010 HA LEU 131 HA LEU 131 4.437 11.067 -6.055 1011 1HB LEU 131 2HB LEU 131 6.436 9.277 -4.760 1012 2HB LEU 131 1HB LEU 131 5.849 10.635 -3.801 1013 HG LEU 131 HG LEU 131 3.932 8.840 -5.280 1014 1HD1 LEU 131 1HD1 LEU 131 3.722 7.463 -3.293 1015 2HD1 LEU 131 2HD1 LEU 131 4.890 8.461 -2.428 1016 3HD1 LEU 131 3HD1 LEU 131 5.415 7.465 -3.786 1017 1HD2 LEU 131 1HD2 LEU 131 3.794 10.748 -2.935 1018 2HD2 LEU 131 2HD2 LEU 131 2.499 9.608 -3.297 1019 3HD2 LEU 131 3HD2 LEU 131 2.931 10.853 -4.469 1020 H ASN 132 HN ASN 132 4.799 13.063 -4.903 1021 HA ASN 132 HA ASN 132 7.217 14.484 -5.842 1022 1HB ASN 132 2HB ASN 132 4.511 15.212 -5.416 1023 2HB ASN 132 1HB ASN 132 5.457 16.116 -4.235 1024 1HD2 ASN 132 1HD2 ASN 132 6.565 17.940 -5.004 1025 2HD2 ASN 132 2HD2 ASN 132 6.783 18.309 -6.646 1026 H TRP 133 HN TRP 133 8.404 12.977 -4.227 1027 HA TRP 133 HA TRP 133 8.200 13.154 -1.438 1028 1HB TRP 133 2HB TRP 133 10.776 13.056 -3.037 1029 2HB TRP 133 1HB TRP 133 10.576 12.561 -1.356 1030 HD1 TRP 133 HD1 TRP 133 10.033 11.408 -4.899 1031 HE1 TRP 133 HE1 TRP 133 9.136 8.991 -4.892 1032 HE3 TRP 133 HE3 TRP 133 9.059 10.843 0.082 1033 HZ2 TRP 133 HZ2 TRP 133 8.138 7.072 -3.021 1034 HZ3 TRP 133 HZ3 TRP 133 8.137 8.712 0.949 1035 HH2 TRP 133 HH2 TRP 133 7.676 6.828 -0.595 1036 H ASP 134 HN ASP 134 9.522 15.513 -3.691 1037 HA ASP 134 HA ASP 134 10.915 17.136 -1.792 1038 1HB ASP 134 2HB ASP 134 10.470 17.205 -4.537 1039 2HB ASP 134 1HB ASP 134 9.643 18.648 -3.951 1040 H ASP 135 HN ASP 135 7.508 16.847 -2.583 1041 HA ASP 135 HA ASP 135 6.832 19.297 -1.078 1042 1HB ASP 135 2HB ASP 135 5.658 18.372 -3.232 1043 2HB ASP 135 1HB ASP 135 4.818 17.312 -2.101 1044 H PHE 136 HN PHE 136 7.429 16.052 -0.363 1045 HA PHE 136 HA PHE 136 5.724 16.213 2.093 1046 1HB PHE 136 2HB PHE 136 6.695 13.822 0.511 1047 2HB PHE 136 1HB PHE 136 6.008 13.684 2.128 1048 HD1 PHE 136 HD1 PHE 136 5.304 14.850 -1.333 1049 HD2 PHE 136 HD2 PHE 136 3.658 13.784 2.486 1050 HE1 PHE 136 HE1 PHE 136 3.026 14.895 -2.307 1051 HE2 PHE 136 HE2 PHE 136 1.377 13.830 1.513 1052 HZ PHE 136 HZ PHE 136 1.062 14.387 -0.883 1053 H THR 137 HN THR 137 6.725 15.114 4.017 1054 HA THR 137 HA THR 137 9.706 15.120 3.923 1055 HB THR 137 HB THR 137 8.198 16.307 6.253 1056 HG1 THR 137 HG1 THR 137 7.716 17.860 4.931 1057 1HG2 THR 137 1HG2 THR 137 10.918 17.144 5.370 1058 2HG2 THR 137 2HG2 THR 137 10.759 15.536 6.076 1059 3HG2 THR 137 3HG2 THR 137 10.273 16.957 7.001 1060 H LYS 138 HN LYS 138 10.562 13.356 4.963 1061 HA LYS 138 HA LYS 138 8.791 11.337 6.023 1062 1HB LYS 138 2HB LYS 138 10.910 10.777 4.894 1063 2HB LYS 138 1HB LYS 138 11.810 11.580 6.180 1064 1HG LYS 138 2HG LYS 138 9.949 9.685 7.321 1065 2HG LYS 138 1HG LYS 138 10.959 8.885 6.116 1066 1HD LYS 138 2HD LYS 138 12.154 10.713 8.197 1067 2HD LYS 138 1HD LYS 138 11.866 9.006 8.530 1068 1HE LYS 138 2HE LYS 138 14.058 8.970 7.711 1069 2HE LYS 138 1HE LYS 138 13.121 8.626 6.258 1070 1HZ LYS 138 1HE LYS 138 14.927 10.473 6.241 1071 2HZ LYS 138 2HE LYS 138 13.708 11.417 6.956 1072 3HZ LYS 138 3HE LYS 138 13.458 10.716 5.429 1073 H VAL 139 HN VAL 139 7.918 11.377 8.027 1074 HA VAL 139 HA VAL 139 9.141 13.097 10.103 1075 HB VAL 139 HB VAL 139 7.017 12.621 11.344 1076 1HG1 VAL 139 1HG1 VAL 139 5.728 14.109 10.046 1077 2HG1 VAL 139 2HG1 VAL 139 6.361 13.475 8.527 1078 3HG1 VAL 139 3HG1 VAL 139 7.382 14.476 9.559 1079 1HG2 VAL 139 1HG2 VAL 139 6.757 10.360 10.111 1080 2HG2 VAL 139 2HG2 VAL 139 6.075 11.309 8.791 1081 3HG2 VAL 139 3HG2 VAL 139 5.295 11.311 10.373 1082 H SER 140 HN SER 140 8.767 9.711 9.332 1083 HA SER 140 HA SER 140 10.322 9.059 11.772 1084 1HB SER 140 2HB SER 140 7.659 7.809 11.056 1085 2HB SER 140 1HB SER 140 8.780 7.112 12.222 1086 HG SER 140 HG SER 140 7.026 9.128 12.528 1087 H SER 141 HN SER 141 11.734 7.356 11.445 1088 HA SER 141 HA SER 141 11.362 5.577 9.133 1089 1HB SER 141 2HB SER 141 13.234 7.828 9.115 1090 2HB SER 141 1HB SER 141 14.013 6.286 8.779 1091 HG SER 141 HG SER 141 12.523 5.940 7.133 1092 H ARG 142 HN ARG 142 12.268 3.579 9.508 1093 HA ARG 142 HA ARG 142 14.236 3.333 11.736 1094 1HB ARG 142 2HB ARG 142 11.842 2.727 12.426 1095 2HB ARG 142 1HB ARG 142 11.962 1.382 11.292 1096 1HG ARG 142 2HG ARG 142 12.806 0.259 13.086 1097 2HG ARG 142 1HG ARG 142 14.301 1.097 12.669 1098 1HD ARG 142 2HD ARG 142 14.205 1.867 14.808 1099 2HD ARG 142 1HD ARG 142 13.020 3.002 14.163 1100 HE ARG 142 HE ARG 142 11.357 1.841 15.357 1101 1HH1 ARG 142 1HH2 ARG 142 14.198 -0.113 14.962 1102 2HH1 ARG 142 2HH2 ARG 142 13.604 -1.390 15.967 1103 1HH2 ARG 142 1HH1 ARG 142 10.593 0.175 16.661 1104 2HH2 ARG 142 2HH1 ARG 142 11.573 -1.229 16.924 1105 H THR 143 HN THR 143 15.925 1.921 11.206 1106 HA THR 143 HA THR 143 15.683 0.552 8.563 1107 HB THR 143 HB THR 143 18.224 1.175 10.096 1108 HG1 THR 143 HG1 THR 143 16.642 2.918 9.025 1109 1HG2 THR 143 1HG2 THR 143 17.554 0.158 7.347 1110 2HG2 THR 143 2HG2 THR 143 18.715 -0.479 8.512 1111 3HG2 THR 143 3HG2 THR 143 19.070 1.010 7.636 1112 H VAL 144 HN VAL 144 15.700 -1.661 8.543 1113 HA VAL 144 HA VAL 144 16.522 -3.037 11.072 1114 HB VAL 144 HB VAL 144 14.446 -4.053 9.121 1115 1HG1 VAL 144 1HG1 VAL 144 14.369 -5.848 10.479 1116 2HG1 VAL 144 2HG1 VAL 144 14.200 -4.828 11.908 1117 3HG1 VAL 144 3HG1 VAL 144 15.804 -5.221 11.288 1118 1HG2 VAL 144 1HG2 VAL 144 13.186 -2.302 9.864 1119 2HG2 VAL 144 2HG2 VAL 144 14.243 -2.000 11.244 1120 3HG2 VAL 144 3HG2 VAL 144 13.029 -3.276 11.327 1121 H GLU 145 HN GLU 145 18.222 -4.396 10.792 1122 HA GLU 145 HA GLU 145 19.083 -5.088 8.059 1123 1HB GLU 145 2HB GLU 145 21.034 -6.128 9.257 1124 2HB GLU 145 1HB GLU 145 20.817 -4.417 9.627 1125 1HG GLU 145 HG2 GLU 145 19.859 -4.886 11.751 1126 2HG GLU 145 HG1 GLU 145 19.601 -6.583 11.347 1127 H ASP 146 HN ASP 146 19.576 -7.393 7.527 1128 HA ASP 146 HA ASP 146 18.019 -9.362 9.118 1129 1HB ASP 146 2HB ASP 146 16.993 -8.217 6.794 1130 2HB ASP 146 1HB ASP 146 17.648 -9.761 6.248 1131 H THR 147 HN THR 147 18.568 -11.604 8.552 1132 HA THR 147 HA THR 147 21.361 -12.059 8.267 1133 HB THR 147 HB THR 147 20.590 -14.468 7.770 1134 HG1 THR 147 HG1 THR 147 18.534 -13.739 6.944 1135 1HG2 THR 147 1HG2 THR 147 20.636 -12.927 10.134 1136 2HG2 THR 147 2HG2 THR 147 20.722 -14.684 10.004 1137 3HG2 THR 147 3HG2 THR 147 19.161 -13.891 10.214 1138 H ASN 148 HN ASN 148 19.010 -11.362 5.896 1139 HA ASN 148 HA ASN 148 20.767 -12.461 3.743 1140 1HB ASN 148 2HB ASN 148 18.239 -13.049 3.879 1141 2HB ASN 148 1HB ASN 148 17.991 -11.412 3.278 1142 1HD2 ASN 148 1HD2 ASN 148 18.106 -14.465 2.126 1143 2HD2 ASN 148 2HD2 ASN 148 18.799 -14.194 0.600 1144 HA PRO 149 HA PRO 149 22.387 -8.364 3.102 1145 1HB PRO 149 2HB PRO 149 22.834 -9.029 0.323 1146 2HB PRO 149 1HB PRO 149 24.020 -8.843 1.620 1147 1HG PRO 149 2HG PRO 149 23.037 -11.265 0.422 1148 2HG PRO 149 1HG PRO 149 24.308 -11.068 1.636 1149 1HD PRO 149 2HD PRO 149 21.782 -12.202 2.061 1150 2HD PRO 149 1HD PRO 149 22.923 -11.690 3.314 1151 H ALA 150 HN ALA 150 20.296 -9.781 0.564 1152 HA ALA 150 HA ALA 150 19.482 -7.146 -0.381 1153 1HB ALA 150 1HB ALA 150 18.451 -9.927 -0.995 1154 2HB ALA 150 2HB ALA 150 19.565 -8.969 -1.970 1155 3HB ALA 150 3HB ALA 150 17.885 -8.463 -1.799 1156 H LEU 151 HN LEU 151 18.121 -9.555 1.841 1157 HA LEU 151 HA LEU 151 15.487 -8.404 1.906 1158 1HB LEU 151 2HB LEU 151 16.928 -10.080 3.975 1159 2HB LEU 151 1HB LEU 151 15.206 -9.720 3.990 1160 HG LEU 151 HG LEU 151 16.677 -11.193 1.782 1161 1HD1 LEU 151 1HD1 LEU 151 14.570 -12.241 3.685 1162 2HD1 LEU 151 2HD1 LEU 151 16.299 -12.403 3.994 1163 3HD1 LEU 151 3HD1 LEU 151 15.581 -13.169 2.576 1164 1HD2 LEU 151 1HD2 LEU 151 14.461 -11.547 0.815 1165 2HD2 LEU 151 2HD2 LEU 151 14.732 -9.817 1.008 1166 3HD2 LEU 151 3HD2 LEU 151 13.707 -10.682 2.152 1167 H THR 152 HN THR 152 18.338 -6.989 2.899 1168 HA THR 152 HA THR 152 17.534 -5.838 5.422 1169 HB THR 152 HB THR 152 19.342 -4.490 3.404 1170 HG1 THR 152 HG1 THR 152 19.888 -6.659 5.142 1171 1HG2 THR 152 1HG2 THR 152 19.944 -4.638 6.306 1172 2HG2 THR 152 2HG2 THR 152 18.538 -3.673 5.854 1173 3HG2 THR 152 3HG2 THR 152 20.124 -3.288 5.185 1174 H HIS 153 HN HIS 153 16.362 -3.869 5.773 1175 HA HIS 153 HA HIS 153 15.591 -2.244 3.453 1176 1HB HIS 153 2HB HIS 153 13.138 -2.636 3.822 1177 2HB HIS 153 1HB HIS 153 13.999 -4.042 3.197 1178 HD1 HIS 153 HD1 HIS 153 14.561 -5.963 4.934 1179 HD2 HIS 153 HD2 HIS 153 12.024 -2.989 6.387 1180 HE1 HIS 153 HE1 HIS 153 13.514 -6.884 7.049 1181 H THR 154 HN THR 154 14.241 -0.405 4.057 1182 HA THR 154 HA THR 154 14.324 0.256 6.969 1183 HB THR 154 HB THR 154 14.861 2.249 4.753 1184 HG1 THR 154 HG1 THR 154 16.539 0.820 4.676 1185 1HG2 THR 154 1HG2 THR 154 15.886 3.498 6.683 1186 2HG2 THR 154 2HG2 THR 154 15.257 2.244 7.751 1187 3HG2 THR 154 3HG2 THR 154 14.146 3.253 6.828 1188 H TYR 155 HN TYR 155 12.579 1.685 7.632 1189 HA TYR 155 HA TYR 155 10.311 1.724 5.680 1190 1HB TYR 155 2HB TYR 155 10.251 1.920 8.710 1191 2HB TYR 155 1HB TYR 155 8.843 1.867 7.651 1192 HD1 TYR 155 HD1 TYR 155 8.610 -0.194 6.092 1193 HD2 TYR 155 HD2 TYR 155 11.203 -0.069 9.515 1194 HE1 TYR 155 HE1 TYR 155 8.657 -2.674 6.148 1195 HE2 TYR 155 HE2 TYR 155 11.252 -2.548 9.569 1196 HH TYR 155 HH TYR 155 9.995 -4.468 6.987 1197 H GLU 156 HN GLU 156 9.714 3.741 4.927 1198 HA GLU 156 HA GLU 156 10.630 6.097 6.527 1199 1HB GLU 156 2HB GLU 156 10.238 5.831 3.532 1200 2HB GLU 156 1HB GLU 156 10.661 7.328 4.363 1201 1HG GLU 156 HG2 GLU 156 12.729 6.315 5.195 1202 2HG GLU 156 HG1 GLU 156 12.302 4.780 4.438 1203 H VAL 157 HN VAL 157 9.001 7.273 7.380 1204 HA VAL 157 HA VAL 157 6.285 7.052 6.143 1205 HB VAL 157 HB VAL 157 7.015 7.880 8.970 1206 1HG1 VAL 157 1HG1 VAL 157 4.419 7.405 7.504 1207 2HG1 VAL 157 2HG1 VAL 157 4.907 8.819 8.439 1208 3HG1 VAL 157 3HG1 VAL 157 4.515 7.309 9.262 1209 1HG2 VAL 157 1HG2 VAL 157 7.389 5.657 9.254 1210 2HG2 VAL 157 2HG2 VAL 157 6.661 5.248 7.701 1211 3HG2 VAL 157 3HG2 VAL 157 5.639 5.489 9.118 1212 H TRP 158 HN TRP 158 5.513 8.925 5.190 1213 HA TRP 158 HA TRP 158 6.906 11.471 5.922 1214 1HB TRP 158 2HB TRP 158 5.566 10.783 3.297 1215 2HB TRP 158 1HB TRP 158 6.450 12.260 3.661 1216 HD1 TRP 158 HD1 TRP 158 7.208 8.456 3.844 1217 HE1 TRP 158 HE1 TRP 158 9.600 8.089 2.955 1218 HE3 TRP 158 HE3 TRP 158 8.519 13.281 2.820 1219 HZ2 TRP 158 HZ2 TRP 158 11.783 9.639 1.944 1220 HZ3 TRP 158 HZ3 TRP 158 10.756 13.809 1.894 1221 HH2 TRP 158 HH2 TRP 158 12.389 11.996 1.456 1222 H GLN 159 HN GLN 159 5.596 13.424 5.656 1223 HA GLN 159 HA GLN 159 2.656 13.033 5.890 1224 1HB GLN 159 2HB GLN 159 4.432 14.583 7.804 1225 2HB GLN 159 1HB GLN 159 2.683 14.800 7.721 1226 1HG GLN 159 2HG GLN 159 2.653 12.171 7.968 1227 2HG GLN 159 1HG GLN 159 4.254 12.425 8.664 1228 1HE2 GLN 159 1HE2 GLN 159 1.194 11.981 9.680 1229 2HE2 GLN 159 2HE2 GLN 159 1.167 12.982 11.051 1230 H LYS 160 HN LYS 160 1.499 14.828 4.911 1231 HA LYS 160 HA LYS 160 3.123 16.432 3.106 1232 1HB LYS 160 2HB LYS 160 0.877 15.512 2.501 1233 2HB LYS 160 1HB LYS 160 0.152 16.599 3.686 1234 1HG LYS 160 2HG LYS 160 1.925 18.123 2.021 1235 2HG LYS 160 1HG LYS 160 0.857 17.177 0.985 1236 1HD LYS 160 2HD LYS 160 -1.018 18.008 2.627 1237 2HD LYS 160 1HD LYS 160 0.148 19.273 3.016 1238 1HE LYS 160 2HE LYS 160 -0.018 20.251 0.950 1239 2HE LYS 160 1HE LYS 160 -0.269 18.712 0.127 1240 1HZ LYS 160 1HE LYS 160 -2.501 18.787 1.469 1241 2HZ LYS 160 2HE LYS 160 -2.345 19.598 -0.016 1242 3HZ LYS 160 3HE LYS 160 -2.217 20.459 1.442 1243 H LYS 161 HN LYS 161 3.824 18.482 3.447 1244 HA LYS 161 HA LYS 161 3.274 19.769 6.024 1245 1HB LYS 161 2HB LYS 161 4.889 20.744 3.647 1246 2HB LYS 161 1HB LYS 161 4.893 21.456 5.261 1247 1HG LYS 161 2HG LYS 161 5.578 19.109 6.091 1248 2HG LYS 161 1HG LYS 161 5.950 18.764 4.402 1249 1HD LYS 161 2HD LYS 161 7.851 19.981 4.473 1250 2HD LYS 161 1HD LYS 161 7.037 21.338 5.252 1251 1HE LYS 161 2HE LYS 161 7.499 20.568 7.389 1252 2HE LYS 161 1HE LYS 161 7.579 18.883 6.878 1253 1HZ LYS 161 1HE LYS 161 9.710 20.496 7.336 1254 2HZ LYS 161 2HE LYS 161 9.578 20.535 5.643 1255 3HZ LYS 161 3HE LYS 161 9.744 19.050 6.452 1256 H ALA 162 HN ALA 162 2.519 22.040 6.120 1257 HA ALA 162 HA ALA 162 0.532 22.607 3.955 1258 1HB ALA 162 1HB ALA 162 0.472 23.045 6.933 1259 2HB ALA 162 2HB ALA 162 -0.738 22.280 5.903 1260 3HB ALA 162 3HB ALA 162 -0.531 24.031 5.869 1261 AH51 NDP 168 AH51 NDP 168 -5.964 -0.882 -9.641 1262 AH52 NDP 168 AH52 NDP 168 -6.165 -2.002 -8.290 1263 AH4* NDP 168 AH4* NDP 168 -7.805 -3.305 -9.729 1264 AH3* NDP 168 AH3* NDP 168 -7.377 -1.004 -11.646 1265 AHO3 NDP 168 AHO3 NDP 168 -7.828 -3.820 -11.881 1266 AH2* NDP 168 AH2* NDP 168 -9.705 -1.138 -12.171 1267 AH1* NDP 168 AH1* NDP 168 -10.582 -1.419 -9.559 1268 AH8 NDP 168 AH8 NDP 168 -7.654 0.902 -10.557 1269 AH61 NDP 168 AH61 NDP 168 -11.857 5.422 -9.925 1270 AH62 NDP 168 AH62 NDP 168 -10.156 5.070 -10.107 1271 AH2 NDP 168 AH2 NDP 168 -13.919 1.504 -9.226 1272 NH51 NDP 168 NH51 NDP 168 -1.910 -5.307 -9.528 1273 NH52 NDP 168 NH52 NDP 168 -1.722 -4.193 -8.168 1274 NH4* NDP 168 NH4* NDP 168 0.405 -6.096 -9.267 1275 NH3* NDP 168 NH3* NDP 168 -1.228 -6.220 -6.719 1276 NHO3 NDP 168 NHO3 NDP 168 -0.748 -7.774 -8.983 1277 NH2* NDP 168 NH2* NDP 168 0.682 -7.255 -5.697 1278 NHO2 NDP 168 NHO2 NDP 168 2.562 -7.461 -7.448 1279 NH1* NDP 168 NH1* NDP 168 2.553 -5.541 -6.835 1280 NH2 NDP 168 NH2 NDP 168 3.172 -4.049 -5.072 1281 NH71 NDP 168 NH71 NDP 168 4.607 -3.473 -4.369 1282 NH72 NDP 168 NH72 NDP 168 5.121 -2.406 -3.082 1283 NH41 NDP 168 NH41 NDP 168 0.165 -2.321 -3.126 1284 NH42 NDP 168 NH42 NDP 168 0.499 -3.777 -2.128 1285 NH5 NDP 168 NH5 NDP 168 -1.555 -4.071 -3.502 1286 NH6 NDP 168 NH6 NDP 168 -0.945 -5.428 -5.564 1287 H1 TRR 170 H1 TRR 170 4.746 -5.443 1.812 1288 1H2 TRR 170 1H2 TRR 170 4.806 -1.995 2.688 1289 2H2 TRR 170 2H2 TRR 170 5.632 -3.485 2.845 1290 1H4 TRR 170 1H4 TRR 170 0.099 -3.171 -0.561 1291 2H4 TRR 170 2H4 TRR 170 0.727 -1.771 0.175 1292 H6 TRR 170 H6 TRR 170 3.108 -6.626 0.492 1293 1H7 TRR 170 1H7 TRR 170 1.083 -5.283 -1.683 1294 2H7 TRR 170 2H7 TRR 170 -0.077 -5.092 -0.365 1295 H12 TRR 170 H12 TRR 170 1.698 -7.407 -2.379 1296 H16 TRR 170 H16 TRR 170 -0.013 -6.861 1.542 1297 1H17 TRR 170 1H17 TRR 170 2.838 -8.658 -3.274 1298 2H17 TRR 170 2H17 TRR 170 1.420 -9.232 -4.137 1299 3H17 TRR 170 3H17 TRR 170 2.842 -10.256 -4.003 1300 1H18 TRR 170 1H18 TRR 170 2.208 -12.527 -0.256 1301 2H18 TRR 170 2H18 TRR 170 1.781 -12.284 1.432 1302 3H18 TRR 170 3H18 TRR 170 2.730 -11.072 0.583 1303 1H19 TRR 170 1H19 TRR 170 0.185 -8.260 3.728 1304 2H19 TRR 170 2H19 TRR 170 -1.325 -9.156 3.800 1305 3H19 TRR 170 3H19 TRR 170 -1.175 -7.772 2.728 Start of MODEL 8 1 1H THR 1 1H THR 1 -5.062 9.637 4.670 2 2H THR 1 2H THR 1 -6.642 9.536 4.053 3 3H THR 1 3H THR 1 -5.633 10.828 3.605 4 HA THR 1 HA THR 1 -5.605 8.040 2.704 5 HB THR 1 HB THR 1 -4.716 10.333 1.042 6 HG1 THR 1 HG1 THR 1 -6.383 11.407 1.825 7 1HG2 THR 1 1HG2 THR 1 -6.905 8.669 0.099 8 2HG2 THR 1 2HG2 THR 1 -5.548 7.692 0.663 9 3HG2 THR 1 3HG2 THR 1 -5.301 8.904 -0.594 10 H ALA 2 HN ALA 2 -3.754 6.916 2.924 11 HA ALA 2 HA ALA 2 -1.172 8.403 2.714 12 1HB ALA 2 1HB ALA 2 -0.223 7.167 4.536 13 2HB ALA 2 2HB ALA 2 -1.618 6.090 4.616 14 3HB ALA 2 3HB ALA 2 -1.775 7.776 5.111 15 H PHE 3 HN PHE 3 0.598 7.071 1.879 16 HA PHE 3 HA PHE 3 -0.420 4.785 0.254 17 1HB PHE 3 2HB PHE 3 1.853 6.730 -0.070 18 2HB PHE 3 1HB PHE 3 1.912 5.168 -0.883 19 HD1 PHE 3 HD1 PHE 3 -0.973 7.462 -0.180 20 HD2 PHE 3 HD2 PHE 3 1.462 5.546 -3.141 21 HE1 PHE 3 HE1 PHE 3 -2.465 8.316 -1.961 22 HE2 PHE 3 HE2 PHE 3 -0.030 6.401 -4.922 23 HZ PHE 3 HZ PHE 3 -1.993 7.784 -4.332 24 H LEU 4 HN LEU 4 0.400 2.716 0.657 25 HA LEU 4 HA LEU 4 2.754 2.556 2.489 26 1HB LEU 4 2HB LEU 4 0.758 2.174 3.839 27 2HB LEU 4 1HB LEU 4 0.158 0.996 2.675 28 HG LEU 4 HG LEU 4 2.035 -0.489 3.151 29 1HD1 LEU 4 1HD1 LEU 4 3.772 1.176 3.581 30 2HD1 LEU 4 2HD1 LEU 4 3.633 0.113 4.981 31 3HD1 LEU 4 3HD1 LEU 4 2.924 1.727 5.027 32 1HD2 LEU 4 1HD2 LEU 4 1.589 -0.840 5.642 33 2HD2 LEU 4 2HD2 LEU 4 0.159 -0.818 4.611 34 3HD2 LEU 4 3HD2 LEU 4 0.576 0.602 5.572 35 H TRP 5 HN TRP 5 4.081 1.992 0.650 36 HA TRP 5 HA TRP 5 3.581 -0.785 -0.321 37 1HB TRP 5 2HB TRP 5 3.996 -0.225 -2.578 38 2HB TRP 5 1HB TRP 5 2.925 1.052 -2.008 39 HD1 TRP 5 HD1 TRP 5 6.346 0.436 -3.400 40 HE1 TRP 5 HE1 TRP 5 7.615 2.670 -3.625 41 HE3 TRP 5 HE3 TRP 5 3.207 3.500 -0.785 42 HZ2 TRP 5 HZ2 TRP 5 7.332 5.395 -2.807 43 HZ3 TRP 5 HZ3 TRP 5 3.731 5.908 -0.525 44 HH2 TRP 5 HH2 TRP 5 5.786 6.858 -1.532 45 H ALA 6 HN ALA 6 5.450 -2.035 -0.564 46 HA ALA 6 HA ALA 6 7.947 -0.792 0.474 47 1HB ALA 6 1HB ALA 6 8.617 -3.339 0.481 48 2HB ALA 6 2HB ALA 6 6.876 -3.600 0.370 49 3HB ALA 6 3HB ALA 6 7.550 -2.719 1.741 50 H GLN 7 HN GLN 7 9.609 -0.432 -0.934 51 HA GLN 7 HA GLN 7 9.554 -1.897 -3.541 52 1HB GLN 7 2HB GLN 7 10.370 0.213 -4.618 53 2HB GLN 7 1HB GLN 7 8.736 0.346 -3.969 54 1HG GLN 7 2HG GLN 7 9.364 1.790 -2.307 55 2HG GLN 7 1HG GLN 7 10.951 1.045 -2.115 56 1HE2 GLN 7 1HE2 GLN 7 12.696 1.815 -3.471 57 2HE2 GLN 7 2HE2 GLN 7 12.541 3.202 -4.438 58 H ASP 8 HN ASP 8 11.682 -1.982 -4.619 59 HA ASP 8 HA ASP 8 13.817 -2.364 -2.624 60 1HB ASP 8 2HB ASP 8 15.015 -3.512 -4.392 61 2HB ASP 8 1HB ASP 8 13.344 -4.073 -4.405 62 H ARG 9 HN ARG 9 16.074 -1.853 -4.219 63 HA ARG 9 HA ARG 9 16.447 0.930 -3.776 64 1HB ARG 9 2HB ARG 9 18.505 0.637 -5.210 65 2HB ARG 9 1HB ARG 9 18.375 -0.493 -3.865 66 1HG ARG 9 2HG ARG 9 18.721 -2.105 -5.420 67 2HG ARG 9 1HG ARG 9 17.042 -1.831 -5.877 68 1HD ARG 9 2HD ARG 9 17.720 -1.138 -7.901 69 2HD ARG 9 1HD ARG 9 18.599 0.189 -7.147 70 HE ARG 9 HE ARG 9 19.752 -2.370 -8.047 71 1HH1 ARG 9 1HH1 ARG 9 20.120 0.562 -6.212 72 2HH1 ARG 9 2HH1 ARG 9 21.845 0.476 -6.209 73 1HH2 ARG 9 1HH2 ARG 9 21.995 -2.461 -8.030 74 2HH2 ARG 9 2HH2 ARG 9 22.902 -1.221 -7.230 75 H ASP 10 HN ASP 10 15.768 -0.804 -6.858 76 HA ASP 10 HA ASP 10 15.809 1.611 -8.433 77 1HB ASP 10 2HB ASP 10 14.886 -1.210 -8.863 78 2HB ASP 10 1HB ASP 10 14.414 0.035 -10.020 79 H GLY 11 HN GLY 11 13.294 -0.077 -6.634 80 1HA GLY 11 2HA GLY 11 11.399 1.290 -5.813 81 2HA GLY 11 1HA GLY 11 11.445 2.165 -7.341 82 H LEU 12 HN LEU 12 11.570 -1.354 -6.821 83 HA LEU 12 HA LEU 12 9.327 -1.665 -8.732 84 1HB LEU 12 2HB LEU 12 11.291 -3.098 -9.040 85 2HB LEU 12 1HB LEU 12 11.156 -3.682 -7.383 86 HG LEU 12 HG LEU 12 8.816 -4.505 -8.023 87 1HD1 LEU 12 1HD1 LEU 12 9.584 -4.768 -10.828 88 2HD1 LEU 12 2HD1 LEU 12 9.370 -3.082 -10.354 89 3HD1 LEU 12 3HD1 LEU 12 8.055 -4.236 -10.131 90 1HD2 LEU 12 1HD2 LEU 12 11.392 -5.608 -9.124 91 2HD2 LEU 12 2HD2 LEU 12 9.866 -6.462 -9.372 92 3HD2 LEU 12 3HD2 LEU 12 10.457 -6.164 -7.735 93 H ILE 13 HN ILE 13 7.450 -3.040 -8.118 94 HA ILE 13 HA ILE 13 7.012 -3.061 -5.162 95 HB ILE 13 HB ILE 13 4.493 -2.898 -5.870 96 1HG1 ILE 13 2HG1 ILE 13 5.225 -1.066 -8.012 97 2HG1 ILE 13 1HG1 ILE 13 5.678 -2.722 -8.402 98 1HG2 ILE 13 1HG2 ILE 13 6.298 -1.162 -4.829 99 2HG2 ILE 13 2HG2 ILE 13 4.604 -0.759 -5.105 100 3HG2 ILE 13 3HG2 ILE 13 5.826 -0.289 -6.287 101 1HD1 ILE 13 1HD1 ILE 13 3.520 -3.413 -8.561 102 2HD1 ILE 13 2HD1 ILE 13 3.162 -1.695 -8.742 103 3HD1 ILE 13 3HD1 ILE 13 3.019 -2.463 -7.160 104 H GLY 14 HN GLY 14 5.385 -4.509 -8.057 105 1HA GLY 14 2HA GLY 14 6.023 -7.192 -7.019 106 2HA GLY 14 1HA GLY 14 4.317 -6.758 -6.941 107 H LYS 15 HN LYS 15 5.646 -8.847 -8.593 108 HA LYS 15 HA LYS 15 4.736 -7.843 -11.261 109 1HB LYS 15 2HB LYS 15 7.265 -8.084 -11.010 110 2HB LYS 15 1HB LYS 15 6.990 -9.820 -10.870 111 1HG LYS 15 2HG LYS 15 5.475 -9.068 -13.096 112 2HG LYS 15 1HG LYS 15 6.962 -8.133 -13.250 113 1HD LYS 15 2HD LYS 15 7.521 -10.869 -12.425 114 2HD LYS 15 1HD LYS 15 6.610 -10.830 -13.933 115 1HE LYS 15 2HE LYS 15 8.593 -10.441 -14.946 116 2HE LYS 15 1HE LYS 15 8.481 -8.811 -14.282 117 1HZ LYS 15 1HE LYS 15 10.541 -9.640 -13.582 118 2HZ LYS 15 2HE LYS 15 9.898 -11.153 -13.154 119 3HZ LYS 15 3HE LYS 15 9.539 -9.779 -12.221 120 H ASP 16 HN ASP 16 3.312 -9.167 -12.296 121 HA ASP 16 HA ASP 16 1.879 -10.972 -12.679 122 1HB ASP 16 2HB ASP 16 4.363 -12.324 -11.649 123 2HB ASP 16 1HB ASP 16 2.914 -13.266 -12.004 124 H GLY 17 HN GLY 17 1.922 -9.528 -10.034 125 1HA GLY 17 2HA GLY 17 0.289 -9.692 -8.289 126 2HA GLY 17 1HA GLY 17 0.096 -11.401 -8.666 127 H HIS 18 HN HIS 18 2.201 -12.729 -8.169 128 HA HIS 18 HA HIS 18 2.715 -12.475 -5.362 129 1HB HIS 18 2HB HIS 18 4.460 -14.238 -5.776 130 2HB HIS 18 1HB HIS 18 2.867 -14.649 -6.408 131 HD1 HIS 18 HD1 HIS 18 6.265 -13.430 -7.544 132 HD2 HIS 18 HD2 HIS 18 2.750 -14.944 -9.197 133 HE1 HIS 18 HE1 HIS 18 6.758 -13.880 -9.987 134 H LEU 19 HN LEU 19 4.225 -11.321 -4.287 135 HA LEU 19 HA LEU 19 5.784 -9.294 -5.477 136 1HB LEU 19 2HB LEU 19 5.863 -10.708 -2.836 137 2HB LEU 19 1HB LEU 19 7.202 -9.642 -3.263 138 HG LEU 19 HG LEU 19 4.436 -8.618 -3.701 139 1HD1 LEU 19 1HD1 LEU 19 5.747 -8.604 -0.971 140 2HD1 LEU 19 2HD1 LEU 19 4.465 -9.728 -1.424 141 3HD1 LEU 19 3HD1 LEU 19 4.148 -7.993 -1.395 142 1HD2 LEU 19 1HD2 LEU 19 5.474 -6.518 -3.282 143 2HD2 LEU 19 2HD2 LEU 19 6.659 -7.429 -4.217 144 3HD2 LEU 19 3HD2 LEU 19 6.846 -7.272 -2.471 145 HA PRO 20 HA PRO 20 9.367 -11.408 -7.030 146 1HB PRO 20 2HB PRO 20 11.130 -9.233 -6.796 147 2HB PRO 20 1HB PRO 20 10.064 -9.572 -8.167 148 1HG PRO 20 2HG PRO 20 9.895 -7.403 -6.347 149 2HG PRO 20 1HG PRO 20 8.760 -7.816 -7.637 150 1HD PRO 20 2HD PRO 20 8.544 -8.295 -4.731 151 2HD PRO 20 1HD PRO 20 7.269 -8.215 -5.963 152 H TRP 21 HN TRP 21 9.720 -9.626 -3.980 153 HA TRP 21 HA TRP 21 12.004 -11.417 -3.273 154 1HB TRP 21 2HB TRP 21 12.526 -9.659 -1.558 155 2HB TRP 21 1HB TRP 21 12.613 -9.061 -3.215 156 HD1 TRP 21 HD1 TRP 21 10.238 -9.075 -0.186 157 HE1 TRP 21 HE1 TRP 21 8.669 -7.037 -0.370 158 HE3 TRP 21 HE3 TRP 21 11.662 -7.276 -4.751 159 HZ2 TRP 21 HZ2 TRP 21 8.095 -4.922 -2.208 160 HZ3 TRP 21 HZ3 TRP 21 10.587 -5.249 -5.693 161 HH2 TRP 21 HH2 TRP 21 8.808 -4.072 -4.428 162 H HIS 22 HN HIS 22 11.824 -12.694 -1.457 163 HA HIS 22 HA HIS 22 9.158 -12.800 -0.165 164 1HB HIS 22 2HB HIS 22 10.578 -14.837 -1.041 165 2HB HIS 22 1HB HIS 22 11.422 -14.663 0.498 166 HD1 HIS 22 HD1 HIS 22 8.252 -15.856 -0.998 167 HD2 HIS 22 HD2 HIS 22 9.694 -15.013 2.822 168 HE1 HIS 22 HE1 HIS 22 6.615 -16.895 0.631 169 H LEU 23 HN LEU 23 9.190 -11.040 1.283 170 HA LEU 23 HA LEU 23 11.241 -11.225 3.455 171 1HB LEU 23 2HB LEU 23 11.596 -9.222 2.030 172 2HB LEU 23 1HB LEU 23 9.945 -8.704 2.369 173 HG LEU 23 HG LEU 23 10.505 -8.683 4.807 174 1HD1 LEU 23 1HD1 LEU 23 13.199 -9.430 3.696 175 2HD1 LEU 23 2HD1 LEU 23 12.304 -10.195 5.008 176 3HD1 LEU 23 3HD1 LEU 23 13.047 -8.614 5.251 177 1HD2 LEU 23 1HD2 LEU 23 12.607 -6.923 3.735 178 2HD2 LEU 23 2HD2 LEU 23 11.140 -6.507 4.620 179 3HD2 LEU 23 3HD2 LEU 23 11.072 -6.787 2.879 180 HA PRO 24 HA PRO 24 7.327 -11.929 5.659 181 1HB PRO 24 2HB PRO 24 8.821 -12.721 7.952 182 2HB PRO 24 1HB PRO 24 7.969 -13.765 6.807 183 1HG PRO 24 2HG PRO 24 10.773 -13.497 7.156 184 2HG PRO 24 1HG PRO 24 9.918 -14.470 5.951 185 1HD PRO 24 2HD PRO 24 11.345 -11.964 5.590 186 2HD PRO 24 1HD PRO 24 10.698 -13.065 4.365 187 H ASP 25 HN ASP 25 10.216 -10.251 6.835 188 HA ASP 25 HA ASP 25 8.962 -8.926 9.051 189 1HB ASP 25 2HB ASP 25 11.509 -9.152 8.301 190 2HB ASP 25 1HB ASP 25 11.175 -7.593 7.547 191 H ASP 26 HN ASP 26 8.913 -8.331 5.616 192 HA ASP 26 HA ASP 26 8.031 -5.553 5.885 193 1HB ASP 26 2HB ASP 26 9.261 -6.149 3.884 194 2HB ASP 26 1HB ASP 26 8.128 -7.449 3.519 195 H LEU 27 HN LEU 27 6.507 -8.693 5.088 196 HA LEU 27 HA LEU 27 3.879 -7.770 4.634 197 1HB LEU 27 2HB LEU 27 4.808 -10.324 5.985 198 2HB LEU 27 1HB LEU 27 3.160 -10.034 5.427 199 HG LEU 27 HG LEU 27 5.444 -9.648 3.518 200 1HD1 LEU 27 1HD1 LEU 27 5.569 -11.943 2.984 201 2HD1 LEU 27 2HD1 LEU 27 4.088 -12.319 3.863 202 3HD1 LEU 27 3HD1 LEU 27 5.564 -11.930 4.747 203 1HD2 LEU 27 1HD2 LEU 27 3.152 -8.977 2.884 204 2HD2 LEU 27 2HD2 LEU 27 2.578 -10.607 3.233 205 3HD2 LEU 27 3HD2 LEU 27 3.702 -10.334 1.902 206 H HIS 28 HN HIS 28 5.548 -8.483 7.688 207 HA HIS 28 HA HIS 28 3.282 -8.039 9.398 208 1HB HIS 28 2HB HIS 28 6.244 -7.683 9.964 209 2HB HIS 28 1HB HIS 28 4.976 -7.751 11.187 210 HD1 HIS 28 HD1 HIS 28 3.279 -10.068 10.158 211 HD2 HIS 28 HD2 HIS 28 7.446 -10.171 10.228 212 HE1 HIS 28 HE1 HIS 28 3.935 -12.514 10.153 213 H TYR 29 HN TYR 29 5.784 -5.913 8.062 214 HA TYR 29 HA TYR 29 5.048 -3.554 9.529 215 1HB TYR 29 2HB TYR 29 7.174 -3.891 8.186 216 2HB TYR 29 1HB TYR 29 6.207 -3.653 6.731 217 HD1 TYR 29 HD1 TYR 29 7.014 -2.046 10.015 218 HD2 TYR 29 HD2 TYR 29 5.797 -1.484 5.934 219 HE1 TYR 29 HE1 TYR 29 7.190 0.411 10.301 220 HE2 TYR 29 HE2 TYR 29 5.972 0.973 6.221 221 HH TYR 29 HH TYR 29 5.850 2.539 8.771 222 H PHE 30 HN PHE 30 3.943 -4.955 6.477 223 HA PHE 30 HA PHE 30 2.284 -2.757 5.666 224 1HB PHE 30 2HB PHE 30 2.929 -4.506 4.086 225 2HB PHE 30 1HB PHE 30 2.088 -5.721 5.047 226 HD1 PHE 30 HD1 PHE 30 1.259 -2.295 3.745 227 HD2 PHE 30 HD2 PHE 30 0.082 -6.408 4.103 228 HE1 PHE 30 HE1 PHE 30 -0.850 -1.795 2.540 229 HE2 PHE 30 HE2 PHE 30 -2.025 -5.911 2.897 230 HZ PHE 30 HZ PHE 30 -2.490 -3.603 2.113 231 H ARG 31 HN ARG 31 1.536 -5.772 7.432 232 HA ARG 31 HA ARG 31 -1.244 -5.195 7.815 233 1HB ARG 31 2HB ARG 31 -0.077 -7.433 8.140 234 2HB ARG 31 1HB ARG 31 0.523 -6.805 9.674 235 1HG ARG 31 2HG ARG 31 -1.942 -6.262 10.207 236 2HG ARG 31 1HG ARG 31 -2.334 -7.329 8.857 237 1HD ARG 31 2HD ARG 31 -2.361 -8.695 10.830 238 2HD ARG 31 1HD ARG 31 -0.873 -9.082 9.968 239 HE ARG 31 HE ARG 31 -0.831 -7.091 12.188 240 1HH1 ARG 31 1HH2 ARG 31 0.214 -10.082 10.742 241 2HH1 ARG 31 2HH2 ARG 31 1.497 -10.309 11.877 242 1HH2 ARG 31 1HH1 ARG 31 0.835 -7.418 13.655 243 2HH2 ARG 31 2HH1 ARG 31 1.847 -8.817 13.515 244 H ALA 32 HN ALA 32 1.427 -4.991 10.181 245 HA ALA 32 HA ALA 32 0.080 -3.678 12.245 246 1HB ALA 32 1HB ALA 32 2.137 -3.485 13.182 247 2HB ALA 32 2HB ALA 32 2.798 -2.639 11.782 248 3HB ALA 32 3HB ALA 32 2.687 -4.400 11.778 249 H GLN 33 HN GLN 33 1.537 -2.217 9.342 250 HA GLN 33 HA GLN 33 1.068 0.504 10.184 251 1HB GLN 33 2HB GLN 33 1.737 -0.830 7.573 252 2HB GLN 33 1HB GLN 33 1.338 0.887 7.619 253 1HG GLN 33 2HG GLN 33 3.420 -0.329 9.442 254 2HG GLN 33 1HG GLN 33 3.822 0.293 7.841 255 1HE2 GLN 33 1HE2 GLN 33 2.330 2.603 7.630 256 2HE2 GLN 33 2HE2 GLN 33 2.731 3.693 8.867 257 H THR 34 HN THR 34 -1.004 -1.916 8.839 258 HA THR 34 HA THR 34 -3.032 0.213 8.247 259 HB THR 34 HB THR 34 -4.031 -1.349 6.624 260 HG1 THR 34 HG1 THR 34 -1.781 -2.973 7.191 261 1HG2 THR 34 1HG2 THR 34 -2.654 -0.339 5.166 262 2HG2 THR 34 2HG2 THR 34 -1.449 -1.590 5.475 263 3HG2 THR 34 3HG2 THR 34 -1.446 -0.106 6.431 264 H VAL 35 HN VAL 35 -2.602 -1.114 10.876 265 HA VAL 35 HA VAL 35 -4.885 -2.959 11.115 266 HB VAL 35 HB VAL 35 -4.271 -2.975 13.544 267 1HG1 VAL 35 1HG1 VAL 35 -1.812 -3.386 11.847 268 2HG1 VAL 35 2HG1 VAL 35 -3.221 -4.434 11.689 269 3HG1 VAL 35 3HG1 VAL 35 -2.363 -4.335 13.227 270 1HG2 VAL 35 1HG2 VAL 35 -3.040 -0.549 12.928 271 2HG2 VAL 35 2HG2 VAL 35 -1.689 -1.668 13.116 272 3HG2 VAL 35 3HG2 VAL 35 -2.846 -1.456 14.431 273 H GLY 36 HN GLY 36 -6.920 -2.289 11.507 274 1HA GLY 36 2HA GLY 36 -8.691 -1.026 12.408 275 2HA GLY 36 1HA GLY 36 -7.505 -0.092 13.314 276 H LYS 37 HN LYS 37 -6.794 -0.204 9.963 277 HA LYS 37 HA LYS 37 -8.117 2.461 9.616 278 1HB LYS 37 2HB LYS 37 -5.458 1.607 8.438 279 2HB LYS 37 1HB LYS 37 -6.198 3.205 8.335 280 1HG LYS 37 2HG LYS 37 -5.689 3.740 10.514 281 2HG LYS 37 1HG LYS 37 -5.798 2.067 11.062 282 1HD LYS 37 2HD LYS 37 -3.611 1.626 10.581 283 2HD LYS 37 1HD LYS 37 -3.623 2.630 9.131 284 1HE LYS 37 2HE LYS 37 -3.620 4.660 10.597 285 2HE LYS 37 1HE LYS 37 -3.452 3.601 11.998 286 1HZ LYS 37 1HE LYS 37 -1.295 4.318 11.369 287 2HZ LYS 37 2HE LYS 37 -1.555 3.914 9.739 288 3HZ LYS 37 3HE LYS 37 -1.426 2.690 10.911 289 H ILE 38 HN ILE 38 -8.457 3.020 7.252 290 HA ILE 38 HA ILE 38 -9.733 0.761 5.918 291 HB ILE 38 HB ILE 38 -9.295 3.618 4.996 292 1HG1 ILE 38 2HG1 ILE 38 -11.716 2.279 6.245 293 2HG1 ILE 38 1HG1 ILE 38 -10.633 3.395 7.079 294 1HG2 ILE 38 1HG2 ILE 38 -11.570 2.052 3.957 295 2HG2 ILE 38 2HG2 ILE 38 -9.990 1.480 3.425 296 3HG2 ILE 38 3HG2 ILE 38 -10.476 3.145 3.111 297 1HD1 ILE 38 1HD1 ILE 38 -11.156 5.086 5.256 298 2HD1 ILE 38 2HD1 ILE 38 -12.502 4.698 6.327 299 3HD1 ILE 38 3HD1 ILE 38 -12.425 3.989 4.714 300 H MET 39 HN MET 39 -8.684 -0.614 4.587 301 HA MET 39 HA MET 39 -6.089 0.234 3.393 302 1HB MET 39 2HB MET 39 -6.327 -1.895 4.799 303 2HB MET 39 1HB MET 39 -7.256 -2.556 3.455 304 1HG MET 39 2HG MET 39 -5.333 -2.098 1.941 305 2HG MET 39 1HG MET 39 -4.403 -1.540 3.333 306 1HE MET 39 1HE MET 39 -5.738 -4.521 1.300 307 2HE MET 39 2HE MET 39 -6.953 -4.316 2.560 308 3HE MET 39 3HE MET 39 -5.970 -5.778 2.524 309 H VAL 40 HN VAL 40 -6.419 1.126 1.371 310 HA VAL 40 HA VAL 40 -8.617 0.104 -0.317 311 HB VAL 40 HB VAL 40 -6.616 2.290 -0.945 312 1HG1 VAL 40 1HG1 VAL 40 -8.473 1.005 -2.556 313 2HG1 VAL 40 2HG1 VAL 40 -7.798 2.606 -2.851 314 3HG1 VAL 40 3HG1 VAL 40 -9.342 2.441 -2.015 315 1HG2 VAL 40 1HG2 VAL 40 -7.781 2.859 1.118 316 2HG2 VAL 40 2HG2 VAL 40 -9.331 2.414 0.405 317 3HG2 VAL 40 3HG2 VAL 40 -8.457 3.823 -0.195 318 H VAL 41 HN VAL 41 -8.250 -1.584 -1.603 319 HA VAL 41 HA VAL 41 -5.609 -1.814 -2.970 320 HB VAL 41 HB VAL 41 -5.907 -4.329 -2.755 321 1HG1 VAL 41 1HG1 VAL 41 -5.664 -2.832 -0.132 322 2HG1 VAL 41 2HG1 VAL 41 -4.377 -2.926 -1.334 323 3HG1 VAL 41 3HG1 VAL 41 -4.947 -4.390 -0.536 324 1HG2 VAL 41 1HG2 VAL 41 -8.320 -4.275 -2.191 325 2HG2 VAL 41 2HG2 VAL 41 -7.943 -3.449 -0.680 326 3HG2 VAL 41 3HG2 VAL 41 -7.392 -5.104 -0.941 327 H GLY 42 HN GLY 42 -5.839 -2.053 -5.164 328 1HA GLY 42 2HA GLY 42 -8.429 -1.928 -6.387 329 2HA GLY 42 1HA GLY 42 -6.918 -2.230 -7.237 330 H ARG 43 HN ARG 43 -9.443 -3.536 -7.750 331 HA ARG 43 HA ARG 43 -9.802 -6.062 -6.609 332 1HB ARG 43 2HB ARG 43 -11.325 -5.061 -8.275 333 2HB ARG 43 1HB ARG 43 -10.115 -5.319 -9.531 334 1HG ARG 43 2HG ARG 43 -10.734 -7.728 -7.948 335 2HG ARG 43 1HG ARG 43 -12.095 -7.112 -8.886 336 1HD ARG 43 2HD ARG 43 -9.333 -7.705 -9.992 337 2HD ARG 43 1HD ARG 43 -10.757 -8.725 -10.200 338 HE ARG 43 HE ARG 43 -11.179 -5.987 -11.103 339 1HH1 ARG 43 1HH2 ARG 43 -9.964 -9.135 -11.919 340 2HH1 ARG 43 2HH2 ARG 43 -10.195 -8.911 -13.619 341 1HH2 ARG 43 1HH1 ARG 43 -11.469 -5.707 -13.314 342 2HH2 ARG 43 2HH1 ARG 43 -11.040 -6.981 -14.406 343 H ARG 44 HN ARG 44 -7.127 -5.026 -8.597 344 HA ARG 44 HA ARG 44 -6.427 -7.695 -9.520 345 1HB ARG 44 2HB ARG 44 -5.231 -4.975 -9.628 346 2HB ARG 44 1HB ARG 44 -4.104 -6.327 -9.723 347 1HG ARG 44 2HG ARG 44 -6.498 -6.683 -11.393 348 2HG ARG 44 1HG ARG 44 -5.519 -5.291 -11.857 349 1HD ARG 44 2HD ARG 44 -3.697 -6.588 -12.429 350 2HD ARG 44 1HD ARG 44 -4.095 -7.847 -11.265 351 HE ARG 44 HE ARG 44 -5.800 -8.673 -12.833 352 1HH1 ARG 44 1HH1 ARG 44 -3.641 -6.221 -14.042 353 2HH1 ARG 44 2HH1 ARG 44 -3.949 -6.614 -15.696 354 1HH2 ARG 44 1HH2 ARG 44 -6.182 -9.158 -14.986 355 2HH2 ARG 44 2HH2 ARG 44 -5.376 -8.260 -16.229 356 H THR 45 HN THR 45 -5.251 -5.526 -6.932 357 HA THR 45 HA THR 45 -3.341 -7.445 -5.913 358 HB THR 45 HB THR 45 -4.634 -5.187 -4.362 359 HG1 THR 45 HG1 THR 45 -2.468 -5.171 -6.189 360 1HG2 THR 45 1HG2 THR 45 -3.277 -6.660 -3.000 361 2HG2 THR 45 2HG2 THR 45 -2.369 -5.173 -3.271 362 3HG2 THR 45 3HG2 THR 45 -1.973 -6.626 -4.188 363 H TYR 46 HN TYR 46 -6.622 -6.460 -4.846 364 HA TYR 46 HA TYR 46 -6.859 -8.182 -2.628 365 1HB TYR 46 2HB TYR 46 -8.500 -6.388 -3.487 366 2HB TYR 46 1HB TYR 46 -9.127 -7.644 -4.553 367 HD1 TYR 46 HD1 TYR 46 -10.457 -9.459 -3.710 368 HD2 TYR 46 HD2 TYR 46 -8.613 -6.673 -1.011 369 HE1 TYR 46 HE1 TYR 46 -11.816 -10.366 -1.845 370 HE2 TYR 46 HE2 TYR 46 -9.971 -7.581 0.855 371 HH TYR 46 HH TYR 46 -12.409 -10.114 0.299 372 H GLU 47 HN GLU 47 -7.062 -8.879 -6.065 373 HA GLU 47 HA GLU 47 -8.109 -11.586 -5.644 374 1HB GLU 47 2HB GLU 47 -7.320 -9.914 -7.987 375 2HB GLU 47 1HB GLU 47 -7.277 -11.666 -8.188 376 1HG GLU 47 HG2 GLU 47 -9.683 -10.388 -6.926 377 2HG GLU 47 HG1 GLU 47 -9.507 -10.359 -8.681 378 H SER 48 HN SER 48 -5.020 -10.053 -5.677 379 HA SER 48 HA SER 48 -3.623 -12.647 -6.109 380 1HB SER 48 2HB SER 48 -2.638 -9.788 -5.967 381 2HB SER 48 1HB SER 48 -1.554 -11.174 -6.034 382 HG SER 48 HG SER 48 -3.074 -10.015 -7.996 383 H PHE 49 HN PHE 49 -4.646 -10.504 -3.633 384 HA PHE 49 HA PHE 49 -2.815 -10.651 -1.580 385 1HB PHE 49 2HB PHE 49 -5.669 -10.325 -1.805 386 2HB PHE 49 1HB PHE 49 -5.305 -11.308 -0.388 387 HD1 PHE 49 HD1 PHE 49 -4.846 -8.032 -1.991 388 HD2 PHE 49 HD2 PHE 49 -4.018 -10.413 1.469 389 HE1 PHE 49 HE1 PHE 49 -4.142 -6.004 -0.760 390 HE2 PHE 49 HE2 PHE 49 -3.312 -8.386 2.699 391 HZ PHE 49 HZ PHE 49 -3.377 -6.177 1.584 392 HA PRO 50 HA PRO 50 -2.387 -14.995 -0.561 393 1HB PRO 50 2HB PRO 50 -1.059 -14.590 1.833 394 2HB PRO 50 1HB PRO 50 -0.288 -14.573 0.241 395 1HG PRO 50 2HG PRO 50 -0.742 -12.371 2.065 396 2HG PRO 50 1HG PRO 50 0.216 -12.409 0.580 397 1HD PRO 50 2HD PRO 50 -2.426 -11.303 0.992 398 2HD PRO 50 1HD PRO 50 -1.398 -11.204 -0.445 399 H LYS 51 HN LYS 51 -2.895 -13.020 2.384 400 HA LYS 51 HA LYS 51 -5.070 -14.922 3.158 401 1HB LYS 51 2HB LYS 51 -2.830 -13.754 4.634 402 2HB LYS 51 1HB LYS 51 -4.374 -13.476 5.439 403 1HG LYS 51 2HG LYS 51 -3.993 -16.207 4.362 404 2HG LYS 51 1HG LYS 51 -2.929 -15.772 5.699 405 1HD LYS 51 2HD LYS 51 -4.631 -15.734 7.205 406 2HD LYS 51 1HD LYS 51 -5.741 -14.961 6.073 407 1HE LYS 51 2HE LYS 51 -6.061 -17.124 4.917 408 2HE LYS 51 1HE LYS 51 -4.968 -17.894 6.066 409 1HZ LYS 51 1HE LYS 51 -7.319 -18.172 6.655 410 2HZ LYS 51 2HE LYS 51 -7.478 -16.486 6.798 411 3HZ LYS 51 3HE LYS 51 -6.453 -17.338 7.852 412 H ARG 52 HN ARG 52 -7.037 -14.029 2.869 413 HA ARG 52 HA ARG 52 -7.468 -11.216 3.699 414 1HB ARG 52 2HB ARG 52 -8.877 -10.902 1.573 415 2HB ARG 52 1HB ARG 52 -7.126 -10.868 1.372 416 1HG ARG 52 2HG ARG 52 -7.375 -13.435 0.940 417 2HG ARG 52 1HG ARG 52 -9.067 -13.046 0.633 418 1HD ARG 52 2HD ARG 52 -7.249 -11.188 -0.697 419 2HD ARG 52 1HD ARG 52 -6.988 -12.852 -1.208 420 HE ARG 52 HE ARG 52 -9.593 -11.409 -1.414 421 1HH1 ARG 52 1HH1 ARG 52 -7.415 -13.957 -2.352 422 2HH1 ARG 52 2HH1 ARG 52 -8.414 -14.477 -3.663 423 1HH2 ARG 52 1HH2 ARG 52 -10.868 -12.100 -3.124 424 2HH2 ARG 52 2HH2 ARG 52 -10.354 -13.437 -4.098 425 HA PRO 53 HA PRO 53 -8.977 -9.845 3.933 426 1HB PRO 53 2HB PRO 53 -10.614 -9.142 6.082 427 2HB PRO 53 1HB PRO 53 -11.025 -8.960 4.371 428 1HG PRO 53 2HG PRO 53 -12.189 -10.738 6.293 429 2HG PRO 53 1HG PRO 53 -12.618 -10.531 4.589 430 1HD PRO 53 2HD PRO 53 -11.039 -12.652 5.848 431 2HD PRO 53 1HD PRO 53 -11.775 -12.608 4.237 432 H LEU 54 HN LEU 54 -8.131 -8.470 5.840 433 HA LEU 54 HA LEU 54 -6.328 -10.115 7.425 434 1HB LEU 54 2HB LEU 54 -6.863 -7.136 7.346 435 2HB LEU 54 1HB LEU 54 -5.631 -7.874 8.371 436 HG LEU 54 HG LEU 54 -5.651 -8.606 5.478 437 1HD1 LEU 54 1HD1 LEU 54 -3.938 -6.415 5.610 438 2HD1 LEU 54 2HD1 LEU 54 -5.369 -5.872 6.485 439 3HD1 LEU 54 3HD1 LEU 54 -5.517 -6.444 4.824 440 1HD2 LEU 54 1HD2 LEU 54 -3.841 -8.622 7.796 441 2HD2 LEU 54 2HD2 LEU 54 -3.076 -8.025 6.323 442 3HD2 LEU 54 3HD2 LEU 54 -3.815 -9.626 6.346 443 HA PRO 55 HA PRO 55 -8.603 -10.558 11.181 444 1HB PRO 55 2HB PRO 55 -6.403 -10.148 12.930 445 2HB PRO 55 1HB PRO 55 -7.027 -11.691 12.331 446 1HG PRO 55 2HG PRO 55 -4.576 -10.384 11.647 447 2HG PRO 55 1HG PRO 55 -5.186 -11.943 11.078 448 1HD PRO 55 2HD PRO 55 -5.040 -9.453 9.639 449 2HD PRO 55 1HD PRO 55 -5.572 -11.034 9.052 450 H GLU 56 HN GLU 56 -9.922 -8.975 11.923 451 HA GLU 56 HA GLU 56 -10.652 -6.899 12.753 452 1HB GLU 56 2HB GLU 56 -8.002 -7.233 14.180 453 2HB GLU 56 1HB GLU 56 -9.173 -5.976 14.579 454 1HG GLU 56 HG2 GLU 56 -10.339 -7.436 15.830 455 2HG GLU 56 HG1 GLU 56 -10.562 -8.478 14.425 456 H ARG 57 HN ARG 57 -9.662 -6.569 10.234 457 HA ARG 57 HA ARG 57 -8.294 -3.925 10.446 458 1HB ARG 57 2HB ARG 57 -7.422 -6.338 8.955 459 2HB ARG 57 1HB ARG 57 -7.319 -4.811 8.082 460 1HG ARG 57 2HG ARG 57 -5.385 -4.421 9.156 461 2HG ARG 57 1HG ARG 57 -6.327 -4.233 10.636 462 1HD ARG 57 2HD ARG 57 -6.136 -6.998 10.304 463 2HD ARG 57 1HD ARG 57 -4.541 -6.397 9.848 464 HE ARG 57 HE ARG 57 -5.312 -5.079 12.233 465 1HH1 ARG 57 1HH2 ARG 57 -4.506 -8.243 11.064 466 2HH1 ARG 57 2HH2 ARG 57 -3.862 -8.769 12.581 467 1HH2 ARG 57 1HH1 ARG 57 -4.471 -5.771 14.202 468 2HH2 ARG 57 2HH1 ARG 57 -3.841 -7.378 14.349 469 H THR 58 HN THR 58 -9.166 -2.370 9.103 470 HA THR 58 HA THR 58 -11.621 -3.064 7.653 471 HB THR 58 HB THR 58 -10.269 -0.373 7.541 472 HG1 THR 58 HG1 THR 58 -11.925 -1.296 9.643 473 1HG2 THR 58 1HG2 THR 58 -13.192 -1.047 7.859 474 2HG2 THR 58 2HG2 THR 58 -12.414 -1.023 6.277 475 3HG2 THR 58 3HG2 THR 58 -12.472 0.444 7.253 476 H ASN 59 HN ASN 59 -11.485 -3.850 5.603 477 HA ASN 59 HA ASN 59 -9.243 -2.861 3.884 478 1HB ASN 59 2HB ASN 59 -10.614 -5.539 3.571 479 2HB ASN 59 1HB ASN 59 -9.092 -5.008 2.855 480 1HD2 ASN 59 1HD2 ASN 59 -7.971 -3.813 5.275 481 2HD2 ASN 59 2HD2 ASN 59 -7.620 -5.083 6.345 482 H VAL 60 HN VAL 60 -9.887 -1.882 1.992 483 HA VAL 60 HA VAL 60 -12.723 -2.286 1.138 484 HB VAL 60 HB VAL 60 -11.069 0.242 0.846 485 1HG1 VAL 60 1HG1 VAL 60 -13.038 1.249 0.021 486 2HG1 VAL 60 2HG1 VAL 60 -14.063 -0.051 0.628 487 3HG1 VAL 60 3HG1 VAL 60 -13.017 -0.330 -0.763 488 1HG2 VAL 60 1HG2 VAL 60 -12.959 -0.709 2.978 489 2HG2 VAL 60 2HG2 VAL 60 -12.901 1.008 2.583 490 3HG2 VAL 60 3HG2 VAL 60 -11.449 0.181 3.145 491 H VAL 61 HN VAL 61 -12.942 -2.887 -0.999 492 HA VAL 61 HA VAL 61 -10.427 -3.078 -2.582 493 HB VAL 61 HB VAL 61 -13.085 -4.384 -3.200 494 1HG1 VAL 61 1HG1 VAL 61 -11.735 -4.546 -5.103 495 2HG1 VAL 61 2HG1 VAL 61 -11.332 -6.033 -4.244 496 3HG1 VAL 61 3HG1 VAL 61 -10.248 -4.644 -4.160 497 1HG2 VAL 61 1HG2 VAL 61 -12.420 -5.118 -0.977 498 2HG2 VAL 61 2HG2 VAL 61 -10.765 -5.390 -1.523 499 3HG2 VAL 61 3HG2 VAL 61 -12.071 -6.414 -2.121 500 H LEU 62 HN LEU 62 -10.406 -2.425 -4.796 501 HA LEU 62 HA LEU 62 -12.518 -0.426 -5.504 502 1HB LEU 62 2HB LEU 62 -9.759 -0.016 -5.160 503 2HB LEU 62 1HB LEU 62 -9.986 -0.077 -6.907 504 HG LEU 62 HG LEU 62 -11.816 1.604 -6.695 505 1HD1 LEU 62 1HD1 LEU 62 -10.890 2.178 -3.904 506 2HD1 LEU 62 2HD1 LEU 62 -12.072 0.894 -4.152 507 3HD1 LEU 62 3HD1 LEU 62 -12.438 2.541 -4.666 508 1HD2 LEU 62 1HD2 LEU 62 -10.354 3.417 -6.648 509 2HD2 LEU 62 2HD2 LEU 62 -9.219 2.090 -6.899 510 3HD2 LEU 62 3HD2 LEU 62 -9.436 2.772 -5.288 511 H THR 63 HN THR 63 -13.700 -1.096 -7.236 512 HA THR 63 HA THR 63 -12.332 -2.509 -9.452 513 HB THR 63 HB THR 63 -13.124 -4.326 -8.007 514 HG1 THR 63 HG1 THR 63 -13.433 -4.321 -10.387 515 1HG2 THR 63 1HG2 THR 63 -15.962 -3.464 -8.394 516 2HG2 THR 63 2HG2 THR 63 -15.017 -2.697 -7.119 517 3HG2 THR 63 3HG2 THR 63 -15.256 -4.443 -7.109 518 H HIS 64 HN HIS 64 -13.651 -2.529 -11.424 519 HA HIS 64 HA HIS 64 -15.521 -0.221 -11.487 520 1HB HIS 64 2HB HIS 64 -13.678 -1.501 -13.409 521 2HB HIS 64 1HB HIS 64 -15.223 -1.003 -14.095 522 HD1 HIS 64 HD1 HIS 64 -15.901 1.589 -13.019 523 HD2 HIS 64 HD2 HIS 64 -11.896 0.586 -13.596 524 HE1 HIS 64 HE1 HIS 64 -14.624 3.774 -13.127 525 H GLN 65 HN GLN 65 -15.886 -3.382 -10.858 526 HA GLN 65 HA GLN 65 -17.997 -4.035 -12.779 527 1HB GLN 65 2HB GLN 65 -16.825 -5.384 -10.352 528 2HB GLN 65 1HB GLN 65 -18.322 -5.978 -11.071 529 1HG GLN 65 2HG GLN 65 -16.481 -7.193 -12.071 530 2HG GLN 65 1HG GLN 65 -17.134 -6.092 -13.285 531 1HE2 GLN 65 1HE2 GLN 65 -14.332 -6.775 -11.267 532 2HE2 GLN 65 2HE2 GLN 65 -13.330 -5.574 -11.927 533 H GLU 66 HN GLU 66 -20.179 -4.786 -11.767 534 HA GLU 66 HA GLU 66 -21.033 -2.704 -9.795 535 1HB GLU 66 2HB GLU 66 -22.185 -3.654 -12.336 536 2HB GLU 66 1HB GLU 66 -23.350 -3.539 -11.018 537 1HG GLU 66 HG2 GLU 66 -22.365 -1.202 -10.579 538 2HG GLU 66 HG1 GLU 66 -21.611 -1.354 -12.167 539 H ASP 67 HN ASP 67 -20.920 -6.106 -10.506 540 HA ASP 67 HA ASP 67 -22.739 -6.642 -8.200 541 1HB ASP 67 2HB ASP 67 -22.002 -8.198 -10.658 542 2HB ASP 67 1HB ASP 67 -22.533 -9.062 -9.215 543 H TYR 68 HN TYR 68 -19.885 -5.850 -7.923 544 HA TYR 68 HA TYR 68 -18.264 -8.146 -7.371 545 1HB TYR 68 2HB TYR 68 -17.679 -5.552 -7.451 546 2HB TYR 68 1HB TYR 68 -17.963 -5.670 -5.714 547 HD1 TYR 68 HD1 TYR 68 -15.949 -6.997 -8.535 548 HD2 TYR 68 HD2 TYR 68 -16.443 -6.843 -4.271 549 HE1 TYR 68 HE1 TYR 68 -13.723 -8.047 -8.240 550 HE2 TYR 68 HE2 TYR 68 -14.214 -7.891 -3.976 551 HH TYR 68 HH TYR 68 -12.637 -9.226 -5.183 552 H GLN 69 HN GLN 69 -18.798 -9.704 -5.925 553 HA GLN 69 HA GLN 69 -20.423 -8.950 -3.551 554 1HB GLN 69 2HB GLN 69 -19.721 -11.691 -4.644 555 2HB GLN 69 1HB GLN 69 -20.824 -11.366 -3.306 556 1HG GLN 69 2HG GLN 69 -21.270 -10.052 -5.974 557 2HG GLN 69 1HG GLN 69 -21.813 -11.708 -5.705 558 1HE2 GLN 69 1HE2 GLN 69 -23.450 -9.172 -6.021 559 2HE2 GLN 69 2HE2 GLN 69 -24.417 -9.101 -4.628 560 H ALA 70 HN ALA 70 -19.085 -8.275 -1.927 561 HA ALA 70 HA ALA 70 -16.944 -10.168 -1.080 562 1HB ALA 70 1HB ALA 70 -16.575 -7.173 -0.947 563 2HB ALA 70 2HB ALA 70 -16.060 -8.106 -2.352 564 3HB ALA 70 3HB ALA 70 -15.354 -8.432 -0.769 565 H GLN 71 HN GLN 71 -18.541 -10.831 0.520 566 HA GLN 71 HA GLN 71 -19.641 -8.902 2.395 567 1HB GLN 71 2HB GLN 71 -19.546 -11.906 2.237 568 2HB GLN 71 1HB GLN 71 -20.083 -11.114 3.720 569 1HG GLN 71 2HG GLN 71 -21.919 -10.088 2.651 570 2HG GLN 71 1HG GLN 71 -21.237 -10.343 1.044 571 1HE2 GLN 71 1HE2 GLN 71 -22.160 -12.066 -0.064 572 2HE2 GLN 71 2HE2 GLN 71 -22.886 -13.418 0.660 573 H GLY 72 HN GLY 72 -18.693 -8.138 4.225 574 1HA GLY 72 2HA GLY 72 -17.341 -8.486 6.239 575 2HA GLY 72 1HA GLY 72 -16.341 -9.612 5.318 576 H ALA 73 HN ALA 73 -16.111 -7.943 2.951 577 HA ALA 73 HA ALA 73 -14.304 -5.846 4.068 578 1HB ALA 73 1HB ALA 73 -13.004 -7.411 2.826 579 2HB ALA 73 2HB ALA 73 -13.220 -6.030 1.750 580 3HB ALA 73 3HB ALA 73 -14.195 -7.482 1.527 581 H VAL 74 HN VAL 74 -14.474 -3.775 3.299 582 HA VAL 74 HA VAL 74 -16.982 -2.835 2.312 583 HB VAL 74 HB VAL 74 -14.329 -1.418 1.971 584 1HG1 VAL 74 1HG1 VAL 74 -15.828 0.585 2.372 585 2HG1 VAL 74 2HG1 VAL 74 -17.204 -0.510 2.249 586 3HG1 VAL 74 3HG1 VAL 74 -16.137 -0.277 0.864 587 1HG2 VAL 74 1HG2 VAL 74 -14.236 -1.886 4.244 588 2HG2 VAL 74 2HG2 VAL 74 -15.990 -1.976 4.402 589 3HG2 VAL 74 3HG2 VAL 74 -15.196 -0.406 4.271 590 H VAL 75 HN VAL 75 -17.396 -1.806 0.154 591 HA VAL 75 HA VAL 75 -15.641 -2.769 -2.033 592 HB VAL 75 HB VAL 75 -18.641 -3.242 -1.968 593 1HG1 VAL 75 1HG1 VAL 75 -16.462 -3.929 -3.958 594 2HG1 VAL 75 2HG1 VAL 75 -17.856 -2.883 -4.222 595 3HG1 VAL 75 3HG1 VAL 75 -18.084 -4.619 -4.012 596 1HG2 VAL 75 1HG2 VAL 75 -17.849 -4.898 -0.531 597 2HG2 VAL 75 2HG2 VAL 75 -16.277 -4.976 -1.326 598 3HG2 VAL 75 3HG2 VAL 75 -17.689 -5.705 -2.091 599 H VAL 76 HN VAL 76 -15.382 -1.101 -3.484 600 HA VAL 76 HA VAL 76 -17.589 0.850 -3.824 601 HB VAL 76 HB VAL 76 -15.946 2.737 -3.586 602 1HG1 VAL 76 1HG1 VAL 76 -16.142 2.842 -1.222 603 2HG1 VAL 76 2HG1 VAL 76 -16.059 1.088 -1.057 604 3HG1 VAL 76 3HG1 VAL 76 -17.501 1.843 -1.737 605 1HG2 VAL 76 1HG2 VAL 76 -14.086 1.215 -1.936 606 2HG2 VAL 76 2HG2 VAL 76 -13.748 2.332 -3.256 607 3HG2 VAL 76 3HG2 VAL 76 -14.087 0.639 -3.603 608 H HIS 77 HN HIS 77 -17.211 2.248 -5.746 609 HA HIS 77 HA HIS 77 -15.208 1.137 -7.658 610 1HB HIS 77 2HB HIS 77 -18.018 1.830 -8.523 611 2HB HIS 77 1HB HIS 77 -16.810 0.881 -9.386 612 HD1 HIS 77 HD1 HIS 77 -16.174 -1.479 -8.187 613 HD2 HIS 77 HD2 HIS 77 -19.741 0.299 -6.979 614 HE1 HIS 77 HE1 HIS 77 -17.514 -3.286 -7.023 615 H ASP 78 HN ASP 78 -15.257 3.613 -6.070 616 HA ASP 78 HA ASP 78 -14.624 5.463 -8.188 617 1HB ASP 78 2HB ASP 78 -17.336 5.511 -7.054 618 2HB ASP 78 1HB ASP 78 -16.511 7.067 -6.963 619 H VAL 79 HN VAL 79 -12.799 6.237 -7.248 620 HA VAL 79 HA VAL 79 -12.022 6.272 -4.605 621 HB VAL 79 HB VAL 79 -11.484 8.420 -6.677 622 1HG1 VAL 79 1HG1 VAL 79 -9.292 8.430 -5.130 623 2HG1 VAL 79 2HG1 VAL 79 -10.477 7.957 -3.911 624 3HG1 VAL 79 3HG1 VAL 79 -10.676 9.469 -4.797 625 1HG2 VAL 79 1HG2 VAL 79 -10.843 6.107 -7.329 626 2HG2 VAL 79 2HG2 VAL 79 -9.889 5.974 -5.852 627 3HG2 VAL 79 3HG2 VAL 79 -9.433 7.139 -7.094 628 H ALA 80 HN ALA 80 -14.254 8.532 -6.136 629 HA ALA 80 HA ALA 80 -14.302 10.545 -4.128 630 1HB ALA 80 1HB ALA 80 -15.629 10.124 -6.497 631 2HB ALA 80 2HB ALA 80 -16.017 11.405 -5.349 632 3HB ALA 80 3HB ALA 80 -16.919 9.890 -5.318 633 H ALA 81 HN ALA 81 -16.074 7.483 -4.396 634 HA ALA 81 HA ALA 81 -17.705 7.866 -2.058 635 1HB ALA 81 1HB ALA 81 -17.949 5.358 -2.160 636 2HB ALA 81 2HB ALA 81 -16.792 5.362 -3.491 637 3HB ALA 81 3HB ALA 81 -18.341 6.187 -3.666 638 H VAL 82 HN VAL 82 -14.587 6.188 -2.561 639 HA VAL 82 HA VAL 82 -14.282 5.277 0.121 640 HB VAL 82 HB VAL 82 -11.918 6.157 -1.516 641 1HG1 VAL 82 1HG1 VAL 82 -11.885 3.496 -0.371 642 2HG1 VAL 82 2HG1 VAL 82 -12.318 4.689 0.854 643 3HG1 VAL 82 3HG1 VAL 82 -10.814 4.861 -0.050 644 1HG2 VAL 82 1HG2 VAL 82 -13.854 3.921 -2.093 645 2HG2 VAL 82 2HG2 VAL 82 -12.153 3.775 -2.538 646 3HG2 VAL 82 3HG2 VAL 82 -13.133 5.077 -3.214 647 H PHE 83 HN PHE 83 -13.335 8.364 -1.404 648 HA PHE 83 HA PHE 83 -11.955 9.407 0.877 649 1HB PHE 83 2HB PHE 83 -13.224 10.532 -1.575 650 2HB PHE 83 1HB PHE 83 -12.894 11.653 -0.256 651 HD1 PHE 83 HD1 PHE 83 -11.524 10.128 -3.132 652 HD2 PHE 83 HD2 PHE 83 -10.496 11.368 0.843 653 HE1 PHE 83 HE1 PHE 83 -9.133 10.255 -3.788 654 HE2 PHE 83 HE2 PHE 83 -8.110 11.488 0.191 655 HZ PHE 83 HZ PHE 83 -7.428 10.930 -2.124 656 H ALA 84 HN ALA 84 -15.349 9.076 0.135 657 HA ALA 84 HA ALA 84 -16.266 10.996 2.116 658 1HB ALA 84 1HB ALA 84 -17.429 9.288 0.086 659 2HB ALA 84 2HB ALA 84 -18.105 10.731 0.841 660 3HB ALA 84 3HB ALA 84 -18.331 9.152 1.595 661 H TYR 85 HN TYR 85 -15.404 7.562 2.171 662 HA TYR 85 HA TYR 85 -16.832 7.008 4.638 663 1HB TYR 85 2HB TYR 85 -15.880 5.372 2.789 664 2HB TYR 85 1HB TYR 85 -14.425 5.438 3.784 665 HD1 TYR 85 HD1 TYR 85 -18.143 5.134 4.263 666 HD2 TYR 85 HD2 TYR 85 -14.228 3.836 5.455 667 HE1 TYR 85 HE1 TYR 85 -19.159 3.537 5.865 668 HE2 TYR 85 HE2 TYR 85 -15.241 2.239 7.057 669 HH TYR 85 HH TYR 85 -18.379 1.284 6.961 670 H ALA 86 HN ALA 86 -13.372 7.532 3.861 671 HA ALA 86 HA ALA 86 -12.361 7.443 6.492 672 1HB ALA 86 1HB ALA 86 -11.521 8.778 3.960 673 2HB ALA 86 2HB ALA 86 -10.642 7.631 4.969 674 3HB ALA 86 3HB ALA 86 -10.757 9.322 5.453 675 H LYS 87 HN LYS 87 -13.802 10.171 4.719 676 HA LYS 87 HA LYS 87 -13.398 12.126 6.776 677 1HB LYS 87 2HB LYS 87 -14.828 11.936 4.252 678 2HB LYS 87 1HB LYS 87 -15.793 12.787 5.457 679 1HG LYS 87 2HG LYS 87 -12.907 13.509 5.288 680 2HG LYS 87 1HG LYS 87 -13.945 14.042 3.965 681 1HD LYS 87 2HD LYS 87 -15.202 15.429 5.322 682 2HD LYS 87 1HD LYS 87 -14.920 14.450 6.762 683 1HE LYS 87 2HE LYS 87 -12.441 15.199 6.511 684 2HE LYS 87 1HE LYS 87 -13.091 16.465 5.470 685 1HZ LYS 87 1HE LYS 87 -14.385 16.029 8.055 686 2HZ LYS 87 2HE LYS 87 -14.154 17.470 7.185 687 3HZ LYS 87 3HE LYS 87 -12.867 16.785 8.057 688 H GLN 88 HN GLN 88 -15.735 9.556 6.341 689 HA GLN 88 HA GLN 88 -17.514 10.621 8.429 690 1HB GLN 88 2HB GLN 88 -17.582 8.419 6.463 691 2HB GLN 88 1HB GLN 88 -18.363 8.059 8.002 692 1HG GLN 88 2HG GLN 88 -20.147 9.263 7.351 693 2HG GLN 88 1HG GLN 88 -19.131 10.702 7.298 694 1HE2 GLN 88 1HE2 GLN 88 -18.681 11.579 5.246 695 2HE2 GLN 88 2HE2 GLN 88 -19.083 10.825 3.779 696 H HIS 89 HN HIS 89 -14.983 8.111 8.169 697 HA HIS 89 HA HIS 89 -15.584 7.157 10.888 698 1HB HIS 89 2HB HIS 89 -13.850 6.307 8.630 699 2HB HIS 89 1HB HIS 89 -13.274 5.914 10.250 700 HD1 HIS 89 HD1 HIS 89 -14.326 3.929 11.367 701 HD2 HIS 89 HD2 HIS 89 -16.600 5.285 8.148 702 HE1 HIS 89 HE1 HIS 89 -16.205 2.259 11.064 703 HA PRO 90 HA PRO 90 -12.765 10.185 12.649 704 1HB PRO 90 2HB PRO 90 -13.147 9.185 15.251 705 2HB PRO 90 1HB PRO 90 -14.026 10.520 14.494 706 1HG PRO 90 2HG PRO 90 -15.004 7.921 15.184 707 2HG PRO 90 1HG PRO 90 -15.887 9.270 14.456 708 1HD PRO 90 2HD PRO 90 -14.915 6.841 13.195 709 2HD PRO 90 1HD PRO 90 -15.986 8.088 12.536 710 H ASP 91 HN ASP 91 -12.704 6.852 14.030 711 HA ASP 91 HA ASP 91 -9.772 7.110 14.352 712 1HB ASP 91 2HB ASP 91 -11.911 5.557 15.617 713 2HB ASP 91 1HB ASP 91 -10.497 4.578 15.227 714 H GLN 92 HN GLN 92 -11.331 6.646 11.717 715 HA GLN 92 HA GLN 92 -9.552 4.454 10.792 716 1HB GLN 92 2HB GLN 92 -12.262 4.011 11.226 717 2HB GLN 92 1HB GLN 92 -12.192 4.393 9.506 718 1HG GLN 92 2HG GLN 92 -11.286 2.386 9.035 719 2HG GLN 92 1HG GLN 92 -10.010 2.629 10.228 720 1HE2 GLN 92 1HE2 GLN 92 -13.286 1.320 9.774 721 2HE2 GLN 92 2HE2 GLN 92 -13.313 0.429 11.219 722 H GLU 93 HN GLU 93 -8.285 5.881 9.557 723 HA GLU 93 HA GLU 93 -9.645 7.837 7.826 724 1HB GLU 93 2HB GLU 93 -6.755 7.270 8.510 725 2HB GLU 93 1HB GLU 93 -7.210 8.417 7.252 726 1HG GLU 93 HG2 GLU 93 -7.572 9.989 8.813 727 2HG GLU 93 HG1 GLU 93 -8.820 8.977 9.538 728 H LEU 94 HN LEU 94 -7.697 7.790 5.716 729 HA LEU 94 HA LEU 94 -8.542 5.281 4.338 730 1HB LEU 94 2HB LEU 94 -8.986 7.854 3.562 731 2HB LEU 94 1HB LEU 94 -7.463 7.526 2.738 732 HG LEU 94 HG LEU 94 -8.647 5.283 2.047 733 1HD1 LEU 94 1HD1 LEU 94 -10.697 5.243 3.098 734 2HD1 LEU 94 2HD1 LEU 94 -11.165 6.100 1.630 735 3HD1 LEU 94 3HD1 LEU 94 -10.842 6.999 3.108 736 1HD2 LEU 94 1HD2 LEU 94 -8.340 6.411 0.112 737 2HD2 LEU 94 2HD2 LEU 94 -8.554 7.965 0.916 738 3HD2 LEU 94 3HD2 LEU 94 -9.959 7.073 0.331 739 H VAL 95 HN VAL 95 -6.917 3.813 4.059 740 HA VAL 95 HA VAL 95 -4.128 4.874 3.813 741 HB VAL 95 HB VAL 95 -4.992 2.181 4.922 742 1HG1 VAL 95 1HG1 VAL 95 -2.502 3.151 3.900 743 2HG1 VAL 95 2HG1 VAL 95 -2.837 1.596 4.662 744 3HG1 VAL 95 3HG1 VAL 95 -2.343 2.973 5.648 745 1HG2 VAL 95 1HG2 VAL 95 -3.871 3.353 7.020 746 2HG2 VAL 95 2HG2 VAL 95 -5.571 3.643 6.634 747 3HG2 VAL 95 3HG2 VAL 95 -4.347 4.830 6.175 748 H ILE 96 HN ILE 96 -3.200 4.441 1.870 749 HA ILE 96 HA ILE 96 -4.654 2.740 -0.032 750 HB ILE 96 HB ILE 96 -2.010 4.111 -0.529 751 1HG1 ILE 96 2HG1 ILE 96 -3.621 5.750 0.448 752 2HG1 ILE 96 1HG1 ILE 96 -3.264 6.096 -1.241 753 1HG2 ILE 96 1HG2 ILE 96 -3.834 2.549 -2.075 754 2HG2 ILE 96 2HG2 ILE 96 -2.346 3.329 -2.604 755 3HG2 ILE 96 3HG2 ILE 96 -3.875 4.200 -2.694 756 1HD1 ILE 96 1HD1 ILE 96 -5.544 4.272 -0.809 757 2HD1 ILE 96 2HD1 ILE 96 -5.385 5.643 -1.906 758 3HD1 ILE 96 3HD1 ILE 96 -5.785 5.914 -0.209 759 H ALA 97 HN ALA 97 -3.851 0.862 -0.971 760 HA ALA 97 HA ALA 97 -1.367 -0.281 0.219 761 1HB ALA 97 1HB ALA 97 -2.731 -2.533 -0.159 762 2HB ALA 97 2HB ALA 97 -4.116 -1.456 0.036 763 3HB ALA 97 3HB ALA 97 -2.924 -1.601 1.328 764 H GLY 98 HN GLY 98 -2.942 0.738 -2.521 765 1HA GLY 98 2HA GLY 98 -1.937 0.662 -4.696 766 2HA GLY 98 1HA GLY 98 -1.077 -0.800 -4.227 767 H GLY 99 HN GLY 99 -3.421 -2.400 -6.380 768 1HA GLY 99 2HA GLY 99 -0.672 -2.005 -5.631 769 2HA GLY 99 1HA GLY 99 -1.245 -2.612 -7.178 770 H ALA 100 HN ALA 100 -0.041 -1.389 -8.573 771 HA ALA 100 HA ALA 100 0.661 1.351 -8.227 772 1HB ALA 100 1HB ALA 100 1.969 0.579 -9.909 773 2HB ALA 100 2HB ALA 100 0.621 1.010 -10.962 774 3HB ALA 100 3HB ALA 100 0.791 -0.646 -10.380 775 H GLN 101 HN GLN 101 -2.061 -0.136 -9.978 776 HA GLN 101 HA GLN 101 -3.106 2.194 -11.160 777 1HB GLN 101 2HB GLN 101 -4.134 -0.463 -10.440 778 2HB GLN 101 1HB GLN 101 -5.377 0.789 -10.459 779 1HG GLN 101 2HG GLN 101 -3.476 0.859 -12.730 780 2HG GLN 101 1HG GLN 101 -4.548 -0.541 -12.685 781 1HE2 GLN 101 1HE2 GLN 101 -6.715 -0.217 -13.319 782 2HE2 GLN 101 2HE2 GLN 101 -7.388 1.305 -13.657 783 H ILE 102 HN ILE 102 -3.569 0.995 -7.806 784 HA ILE 102 HA ILE 102 -5.486 3.092 -7.206 785 HB ILE 102 HB ILE 102 -3.891 1.362 -5.297 786 1HG1 ILE 102 2HG1 ILE 102 -5.136 -0.033 -6.882 787 2HG1 ILE 102 1HG1 ILE 102 -5.928 -0.078 -5.308 788 1HG2 ILE 102 1HG2 ILE 102 -5.925 3.438 -4.984 789 2HG2 ILE 102 2HG2 ILE 102 -4.903 2.679 -3.766 790 3HG2 ILE 102 3HG2 ILE 102 -6.413 1.911 -4.248 791 1HD1 ILE 102 1HD1 ILE 102 -7.299 1.960 -6.283 792 2HD1 ILE 102 2HD1 ILE 102 -7.753 0.307 -6.694 793 3HD1 ILE 102 3HD1 ILE 102 -6.813 1.272 -7.832 794 H PHE 103 HN PHE 103 -1.966 2.858 -7.083 795 HA PHE 103 HA PHE 103 -1.654 5.072 -5.231 796 1HB PHE 103 2HB PHE 103 0.261 3.828 -7.233 797 2HB PHE 103 1HB PHE 103 0.716 5.055 -6.056 798 HD1 PHE 103 HD1 PHE 103 1.474 1.938 -6.493 799 HD2 PHE 103 HD2 PHE 103 -0.927 4.148 -3.706 800 HE1 PHE 103 HE1 PHE 103 1.821 0.168 -4.791 801 HE2 PHE 103 HE2 PHE 103 -0.583 2.378 -2.005 802 HZ PHE 103 HZ PHE 103 0.792 0.389 -2.547 803 H THR 104 HN THR 104 -2.282 4.765 -8.632 804 HA THR 104 HA THR 104 -1.291 7.425 -9.320 805 HB THR 104 HB THR 104 -3.221 5.821 -10.985 806 HG1 THR 104 HG1 THR 104 -1.730 4.389 -11.390 807 1HG2 THR 104 1HG2 THR 104 -1.245 8.002 -11.358 808 2HG2 THR 104 2HG2 THR 104 -2.757 7.692 -12.213 809 3HG2 THR 104 3HG2 THR 104 -1.304 6.786 -12.635 810 H ALA 105 HN ALA 105 -4.571 5.959 -9.122 811 HA ALA 105 HA ALA 105 -5.967 8.402 -9.570 812 1HB ALA 105 1HB ALA 105 -7.825 7.135 -9.281 813 2HB ALA 105 2HB ALA 105 -7.294 6.555 -7.703 814 3HB ALA 105 3HB ALA 105 -6.704 5.778 -9.173 815 H PHE 106 HN PHE 106 -4.450 7.124 -6.680 816 HA PHE 106 HA PHE 106 -5.720 9.249 -5.031 817 1HB PHE 106 2HB PHE 106 -4.141 6.762 -4.387 818 2HB PHE 106 1HB PHE 106 -4.447 7.999 -3.168 819 HD1 PHE 106 HD1 PHE 106 -6.630 8.313 -2.220 820 HD2 PHE 106 HD2 PHE 106 -6.043 5.551 -5.450 821 HE1 PHE 106 HE1 PHE 106 -8.888 7.375 -1.828 822 HE2 PHE 106 HE2 PHE 106 -8.303 4.614 -5.059 823 HZ PHE 106 HZ PHE 106 -9.725 5.526 -3.248 824 H LYS 107 HN LYS 107 -2.900 8.894 -6.855 825 HA LYS 107 HA LYS 107 -0.899 9.919 -5.143 826 1HB LYS 107 2HB LYS 107 0.376 10.427 -7.078 827 2HB LYS 107 1HB LYS 107 -0.603 9.034 -7.521 828 1HG LYS 107 2HG LYS 107 -2.043 10.319 -8.864 829 2HG LYS 107 1HG LYS 107 -1.567 11.831 -8.100 830 1HD LYS 107 2HD LYS 107 0.779 11.385 -9.030 831 2HD LYS 107 1HD LYS 107 0.020 10.150 -10.036 832 1HE LYS 107 2HE LYS 107 -1.396 11.763 -11.105 833 2HE LYS 107 1HE LYS 107 -0.956 13.013 -9.941 834 1HZ LYS 107 1HE LYS 107 0.216 13.223 -12.078 835 2HZ LYS 107 2HE LYS 107 0.944 11.711 -11.813 836 3HZ LYS 107 3HE LYS 107 1.276 13.011 -10.771 837 H ASP 108 HN ASP 108 -3.399 11.719 -6.959 838 HA ASP 108 HA ASP 108 -2.299 14.314 -6.472 839 1HB ASP 108 2HB ASP 108 -4.337 13.405 -7.974 840 2HB ASP 108 1HB ASP 108 -5.255 13.988 -6.585 841 H ASP 109 HN ASP 109 -4.497 12.275 -4.588 842 HA ASP 109 HA ASP 109 -4.522 14.360 -2.450 843 1HB ASP 109 2HB ASP 109 -6.424 12.206 -3.292 844 2HB ASP 109 1HB ASP 109 -6.400 12.690 -1.594 845 H VAL 110 HN VAL 110 -2.407 13.736 -1.563 846 HA VAL 110 HA VAL 110 -2.493 11.083 -0.186 847 HB VAL 110 HB VAL 110 0.023 12.539 -1.019 848 1HG1 VAL 110 1HG1 VAL 110 1.054 10.359 -0.609 849 2HG1 VAL 110 2HG1 VAL 110 -0.523 9.661 -0.238 850 3HG1 VAL 110 3HG1 VAL 110 0.173 10.883 0.825 851 1HG2 VAL 110 1HG2 VAL 110 -0.529 11.962 -3.138 852 2HG2 VAL 110 2HG2 VAL 110 -1.843 10.911 -2.607 853 3HG2 VAL 110 3HG2 VAL 110 -0.186 10.309 -2.636 854 H ASP 111 HN ASP 111 -2.091 11.121 1.991 855 HA ASP 111 HA ASP 111 -1.487 13.793 3.199 856 1HB ASP 111 2HB ASP 111 -3.380 11.627 3.921 857 2HB ASP 111 1HB ASP 111 -2.528 12.376 5.271 858 H THR 112 HN THR 112 -0.705 10.348 3.270 859 HA THR 112 HA THR 112 1.831 11.032 4.650 860 HB THR 112 HB THR 112 0.022 8.816 5.650 861 HG1 THR 112 HG1 THR 112 -0.941 10.470 6.528 862 1HG2 THR 112 1HG2 THR 112 2.697 8.931 5.851 863 2HG2 THR 112 2HG2 THR 112 1.682 8.296 7.146 864 3HG2 THR 112 3HG2 THR 112 2.275 9.956 7.223 865 H LEU 113 HN LEU 113 3.511 9.869 3.826 866 HA LEU 113 HA LEU 113 2.822 7.592 2.012 867 1HB LEU 113 2HB LEU 113 5.256 9.401 2.018 868 2HB LEU 113 1HB LEU 113 4.991 8.063 0.903 869 HG LEU 113 HG LEU 113 2.910 10.213 1.187 870 1HD1 LEU 113 1HD1 LEU 113 4.074 11.253 -0.859 871 2HD1 LEU 113 2HD1 LEU 113 5.496 10.330 -0.372 872 3HD1 LEU 113 3HD1 LEU 113 4.820 11.545 0.713 873 1HD2 LEU 113 1HD2 LEU 113 2.015 8.656 -0.224 874 2HD2 LEU 113 2HD2 LEU 113 3.590 7.977 -0.638 875 3HD2 LEU 113 3HD2 LEU 113 3.029 9.453 -1.426 876 H LEU 114 HN LEU 114 3.571 5.597 2.545 877 HA LEU 114 HA LEU 114 5.739 5.410 4.596 878 1HB LEU 114 2HB LEU 114 3.356 3.549 4.316 879 2HB LEU 114 1HB LEU 114 4.609 3.473 5.556 880 HG LEU 114 HG LEU 114 3.130 6.049 5.240 881 1HD1 LEU 114 1HD1 LEU 114 1.772 3.567 5.645 882 2HD1 LEU 114 2HD1 LEU 114 1.107 5.198 5.718 883 3HD1 LEU 114 3HD1 LEU 114 1.760 4.448 7.173 884 1HD2 LEU 114 1HD2 LEU 114 3.478 6.109 7.672 885 2HD2 LEU 114 2HD2 LEU 114 4.998 5.764 6.848 886 3HD2 LEU 114 3HD2 LEU 114 4.107 4.462 7.636 887 H VAL 115 HN VAL 115 7.398 4.885 3.259 888 HA VAL 115 HA VAL 115 6.954 2.563 1.401 889 HB VAL 115 HB VAL 115 7.395 4.672 0.209 890 1HG1 VAL 115 1HG1 VAL 115 8.747 5.800 1.908 891 2HG1 VAL 115 2HG1 VAL 115 9.647 5.700 0.395 892 3HG1 VAL 115 3HG1 VAL 115 10.023 4.597 1.719 893 1HG2 VAL 115 1HG2 VAL 115 9.602 2.592 0.114 894 2HG2 VAL 115 2HG2 VAL 115 9.382 3.849 -1.106 895 3HG2 VAL 115 3HG2 VAL 115 8.130 2.629 -0.861 896 H THR 116 HN THR 116 8.407 0.907 1.336 897 HA THR 116 HA THR 116 10.508 0.897 3.463 898 HB THR 116 HB THR 116 9.564 -1.594 2.074 899 HG1 THR 116 HG1 THR 116 7.866 -1.751 3.516 900 1HG2 THR 116 1HG2 THR 116 11.442 -1.169 3.955 901 2HG2 THR 116 2HG2 THR 116 10.503 -2.659 3.869 902 3HG2 THR 116 3HG2 THR 116 10.038 -1.388 4.998 903 H ARG 117 HN ARG 117 12.538 1.169 2.644 904 HA ARG 117 HA ARG 117 13.017 0.542 -0.217 905 1HB ARG 117 2HB ARG 117 14.139 2.401 1.754 906 2HB ARG 117 1HB ARG 117 15.380 1.569 0.816 907 1HG ARG 117 2HG ARG 117 14.042 2.193 -1.265 908 2HG ARG 117 1HG ARG 117 13.089 3.251 -0.224 909 1HD ARG 117 2HD ARG 117 15.739 3.842 0.441 910 2HD ARG 117 1HD ARG 117 15.762 3.663 -1.312 911 HE ARG 117 HE ARG 117 14.345 5.750 0.199 912 1HH1 ARG 117 1HH2 ARG 117 14.737 4.037 -2.801 913 2HH1 ARG 117 2HH2 ARG 117 14.052 5.311 -3.748 914 1HH2 ARG 117 1HH1 ARG 117 13.451 7.390 -1.047 915 2HH2 ARG 117 2HH1 ARG 117 13.327 7.197 -2.764 916 H LEU 118 HN LEU 118 13.668 -1.526 -0.602 917 HA LEU 118 HA LEU 118 15.034 -3.082 1.479 918 1HB LEU 118 2HB LEU 118 14.153 -3.700 -1.349 919 2HB LEU 118 1HB LEU 118 15.100 -4.838 -0.394 920 HG LEU 118 HG LEU 118 13.299 -4.515 1.430 921 1HD1 LEU 118 1HD1 LEU 118 11.952 -3.311 -0.997 922 2HD1 LEU 118 2HD1 LEU 118 12.148 -2.588 0.600 923 3HD1 LEU 118 3HD1 LEU 118 11.046 -3.947 0.376 924 1HD2 LEU 118 1HD2 LEU 118 13.572 -6.321 -0.667 925 2HD2 LEU 118 2HD2 LEU 118 11.885 -5.820 -0.788 926 3HD2 LEU 118 3HD2 LEU 118 12.495 -6.513 0.716 927 H ALA 119 HN ALA 119 17.169 -4.026 1.161 928 HA ALA 119 HA ALA 119 19.009 -2.137 -0.123 929 1HB ALA 119 1HB ALA 119 19.260 -3.555 2.124 930 2HB ALA 119 2HB ALA 119 20.664 -3.119 1.149 931 3HB ALA 119 3HB ALA 119 19.961 -4.731 1.011 932 H GLY 120 HN GLY 120 17.731 -5.357 -0.768 933 1HA GLY 120 2HA GLY 120 19.683 -5.950 -2.846 934 2HA GLY 120 1HA GLY 120 18.204 -6.856 -2.525 935 H SER 121 HN SER 121 18.835 -6.405 -5.143 936 HA SER 121 HA SER 121 16.895 -4.270 -5.938 937 1HB SER 121 2HB SER 121 18.224 -3.983 -7.999 938 2HB SER 121 1HB SER 121 19.204 -3.667 -6.571 939 HG SER 121 HG SER 121 20.442 -5.050 -7.653 940 H PHE 122 HN PHE 122 15.082 -5.238 -6.725 941 HA PHE 122 HA PHE 122 15.387 -7.858 -8.126 942 1HB PHE 122 2HB PHE 122 12.861 -6.687 -6.927 943 2HB PHE 122 1HB PHE 122 13.109 -8.339 -7.492 944 HD1 PHE 122 HD1 PHE 122 14.273 -9.970 -6.146 945 HD2 PHE 122 HD2 PHE 122 14.007 -5.876 -4.875 946 HE1 PHE 122 HE1 PHE 122 15.107 -10.612 -3.900 947 HE2 PHE 122 HE2 PHE 122 14.840 -6.518 -2.630 948 HZ PHE 122 HZ PHE 122 15.390 -8.886 -2.142 949 H GLU 123 HN GLU 123 13.864 -8.172 -9.982 950 HA GLU 123 HA GLU 123 13.336 -5.573 -11.370 951 1HB GLU 123 2HB GLU 123 13.694 -6.859 -13.506 952 2HB GLU 123 1HB GLU 123 15.140 -6.706 -12.508 953 1HG GLU 123 HG2 GLU 123 14.639 -8.967 -11.540 954 2HG GLU 123 HG1 GLU 123 13.315 -9.119 -12.696 955 H GLY 124 HN GLY 124 11.518 -5.649 -12.926 956 1HA GLY 124 2HA GLY 124 9.642 -7.816 -13.006 957 2HA GLY 124 1HA GLY 124 9.117 -6.623 -11.816 958 H ASP 125 HN ASP 125 7.262 -6.050 -13.209 959 HA ASP 125 HA ASP 125 8.090 -4.257 -15.436 960 1HB ASP 125 2HB ASP 125 5.865 -6.316 -15.437 961 2HB ASP 125 1HB ASP 125 5.982 -5.016 -16.624 962 H THR 126 HN THR 126 6.348 -4.759 -12.573 963 HA THR 126 HA THR 126 4.667 -2.335 -13.063 964 HB THR 126 HB THR 126 4.214 -4.300 -10.820 965 HG1 THR 126 HG1 THR 126 3.012 -4.423 -13.376 966 1HG2 THR 126 1HG2 THR 126 2.918 -1.927 -11.889 967 2HG2 THR 126 2HG2 THR 126 2.615 -2.777 -10.375 968 3HG2 THR 126 3HG2 THR 126 1.809 -3.298 -11.854 969 H LYS 127 HN LYS 127 5.445 -0.562 -12.056 970 HA LYS 127 HA LYS 127 6.953 -0.947 -9.502 971 1HB LYS 127 2HB LYS 127 7.572 1.004 -11.741 972 2HB LYS 127 1HB LYS 127 8.394 0.962 -10.181 973 1HG LYS 127 2HG LYS 127 9.416 -1.098 -10.626 974 2HG LYS 127 1HG LYS 127 8.229 -1.529 -11.857 975 1HD LYS 127 2HD LYS 127 9.120 0.226 -13.341 976 2HD LYS 127 1HD LYS 127 10.306 0.666 -12.112 977 1HE LYS 127 2HE LYS 127 11.165 -1.701 -12.201 978 2HE LYS 127 1HE LYS 127 10.095 -1.978 -13.576 979 1HZ LYS 127 1HE LYS 127 12.471 -1.290 -14.072 980 2HZ LYS 127 2HE LYS 127 12.027 0.259 -13.535 981 3HZ LYS 127 3HE LYS 127 11.242 -0.437 -14.872 982 H MET 128 HN MET 128 6.957 1.048 -8.144 983 HA MET 128 HA MET 128 4.307 2.041 -7.769 984 1HB MET 128 2HB MET 128 6.439 1.940 -6.174 985 2HB MET 128 1HB MET 128 6.638 3.599 -6.740 986 1HG MET 128 2HG MET 128 3.892 2.803 -5.930 987 2HG MET 128 1HG MET 128 5.075 2.956 -4.635 988 1HE MET 128 1HE MET 128 2.960 6.181 -4.486 989 2HE MET 128 2HE MET 128 3.912 5.121 -3.450 990 3HE MET 128 3HE MET 128 2.696 4.431 -4.524 991 H ILE 129 HN ILE 129 3.538 4.222 -8.025 992 HA ILE 129 HA ILE 129 4.294 5.411 -10.566 993 HB ILE 129 HB ILE 129 2.540 7.083 -9.998 994 1HG1 ILE 129 2HG1 ILE 129 1.754 5.634 -7.545 995 2HG1 ILE 129 1HG1 ILE 129 3.232 6.584 -7.397 996 1HG2 ILE 129 1HG2 ILE 129 1.019 5.577 -10.695 997 2HG2 ILE 129 2HG2 ILE 129 1.083 4.719 -9.156 998 3HG2 ILE 129 3HG2 ILE 129 2.232 4.324 -10.435 999 1HD1 ILE 129 1HD1 ILE 129 0.527 7.589 -8.329 1000 2HD1 ILE 129 2HD1 ILE 129 2.007 8.549 -8.343 1001 3HD1 ILE 129 3HD1 ILE 129 1.333 7.990 -6.812 1002 HA PRO 130 HA PRO 130 7.093 8.588 -9.259 1003 1HB PRO 130 2HB PRO 130 5.979 10.758 -10.704 1004 2HB PRO 130 1HB PRO 130 7.251 9.656 -11.246 1005 1HG PRO 130 2HG PRO 130 4.597 9.855 -12.229 1006 2HG PRO 130 1HG PRO 130 5.840 8.687 -12.697 1007 1HD PRO 130 2HD PRO 130 3.501 8.304 -10.993 1008 2HD PRO 130 1HD PRO 130 4.550 7.090 -11.742 1009 H LEU 131 HN LEU 131 6.713 9.060 -7.085 1010 HA LEU 131 HA LEU 131 4.414 10.777 -6.369 1011 1HB LEU 131 2HB LEU 131 6.300 9.004 -4.907 1012 2HB LEU 131 1HB LEU 131 5.716 10.415 -4.025 1013 HG LEU 131 HG LEU 131 3.932 8.426 -5.455 1014 1HD1 LEU 131 1HD1 LEU 131 3.353 7.637 -3.195 1015 2HD1 LEU 131 2HD1 LEU 131 4.524 8.756 -2.498 1016 3HD1 LEU 131 3HD1 LEU 131 5.075 7.421 -3.509 1017 1HD2 LEU 131 1HD2 LEU 131 2.817 10.126 -3.338 1018 2HD2 LEU 131 2HD2 LEU 131 2.209 9.816 -4.964 1019 3HD2 LEU 131 3HD2 LEU 131 3.437 11.053 -4.704 1020 H ASN 132 HN ASN 132 4.772 12.754 -5.091 1021 HA ASN 132 HA ASN 132 7.168 14.204 -6.061 1022 1HB ASN 132 2HB ASN 132 4.551 14.947 -5.959 1023 2HB ASN 132 1HB ASN 132 5.140 15.640 -4.448 1024 1HD2 ASN 132 1HD2 ASN 132 7.171 17.047 -4.667 1025 2HD2 ASN 132 2HD2 ASN 132 7.366 17.939 -6.096 1026 H TRP 133 HN TRP 133 8.423 12.816 -4.423 1027 HA TRP 133 HA TRP 133 8.194 13.022 -1.632 1028 1HB TRP 133 2HB TRP 133 10.797 13.043 -3.191 1029 2HB TRP 133 1HB TRP 133 10.580 12.526 -1.518 1030 HD1 TRP 133 HD1 TRP 133 10.141 11.388 -5.085 1031 HE1 TRP 133 HE1 TRP 133 9.368 8.930 -5.113 1032 HE3 TRP 133 HE3 TRP 133 9.178 10.710 -0.118 1033 HZ2 TRP 133 HZ2 TRP 133 8.463 6.941 -3.273 1034 HZ3 TRP 133 HZ3 TRP 133 8.363 8.525 0.716 1035 HH2 TRP 133 HH2 TRP 133 8.005 6.640 -0.853 1036 H ASP 134 HN ASP 134 9.400 15.399 -3.918 1037 HA ASP 134 HA ASP 134 10.698 17.125 -2.033 1038 1HB ASP 134 2HB ASP 134 10.368 17.111 -4.772 1039 2HB ASP 134 1HB ASP 134 9.383 18.489 -4.280 1040 H ASP 135 HN ASP 135 7.327 16.624 -2.821 1041 HA ASP 135 HA ASP 135 6.493 19.105 -1.462 1042 1HB ASP 135 2HB ASP 135 5.369 17.452 -3.441 1043 2HB ASP 135 1HB ASP 135 4.353 17.218 -2.018 1044 H PHE 136 HN PHE 136 7.276 15.922 -0.604 1045 HA PHE 136 HA PHE 136 5.690 16.173 1.922 1046 1HB PHE 136 2HB PHE 136 6.659 13.677 0.499 1047 2HB PHE 136 1HB PHE 136 5.896 13.685 2.088 1048 HD1 PHE 136 HD1 PHE 136 5.378 14.413 -1.504 1049 HD2 PHE 136 HD2 PHE 136 3.523 13.977 2.338 1050 HE1 PHE 136 HE1 PHE 136 3.150 14.395 -2.585 1051 HE2 PHE 136 HE2 PHE 136 1.292 13.958 1.256 1052 HZ PHE 136 HZ PHE 136 1.106 14.168 -1.205 1053 H THR 137 HN THR 137 6.790 15.114 3.797 1054 HA THR 137 HA THR 137 9.768 15.210 3.601 1055 HB THR 137 HB THR 137 8.339 16.375 5.983 1056 HG1 THR 137 HG1 THR 137 8.807 18.417 4.879 1057 1HG2 THR 137 1HG2 THR 137 11.078 16.774 4.750 1058 2HG2 THR 137 2HG2 THR 137 10.721 15.836 6.200 1059 3HG2 THR 137 3HG2 THR 137 10.490 17.584 6.202 1060 H LYS 138 HN LYS 138 10.749 13.539 4.690 1061 HA LYS 138 HA LYS 138 9.083 11.472 5.842 1062 1HB LYS 138 2HB LYS 138 11.553 11.485 4.702 1063 2HB LYS 138 1HB LYS 138 11.997 11.451 6.410 1064 1HG LYS 138 2HG LYS 138 9.886 9.606 6.152 1065 2HG LYS 138 1HG LYS 138 10.924 9.322 4.757 1066 1HD LYS 138 2HD LYS 138 12.184 9.664 7.456 1067 2HD LYS 138 1HD LYS 138 11.434 8.120 7.051 1068 1HE LYS 138 2HE LYS 138 13.218 7.550 5.808 1069 2HE LYS 138 1HE LYS 138 13.014 8.994 4.816 1070 1HZ LYS 138 1HE LYS 138 14.539 8.742 7.345 1071 2HZ LYS 138 2HE LYS 138 14.174 10.235 6.621 1072 3HZ LYS 138 3HE LYS 138 15.147 9.106 5.804 1073 H VAL 139 HN VAL 139 8.268 11.575 7.862 1074 HA VAL 139 HA VAL 139 9.599 13.335 9.855 1075 HB VAL 139 HB VAL 139 7.480 13.102 11.133 1076 1HG1 VAL 139 1HG1 VAL 139 7.721 14.930 9.513 1077 2HG1 VAL 139 2HG1 VAL 139 6.058 14.343 9.523 1078 3HG1 VAL 139 3HG1 VAL 139 7.150 13.877 8.219 1079 1HG2 VAL 139 1HG2 VAL 139 6.848 10.852 10.383 1080 2HG2 VAL 139 2HG2 VAL 139 6.639 11.442 8.734 1081 3HG2 VAL 139 3HG2 VAL 139 5.557 11.994 10.011 1082 H SER 140 HN SER 140 8.986 9.986 9.144 1083 HA SER 140 HA SER 140 10.489 9.270 11.601 1084 1HB SER 140 2HB SER 140 7.663 8.685 11.087 1085 2HB SER 140 1HB SER 140 8.610 7.243 11.445 1086 HG SER 140 HG SER 140 8.730 7.887 13.435 1087 H SER 141 HN SER 141 11.886 7.608 11.275 1088 HA SER 141 HA SER 141 11.535 5.796 8.976 1089 1HB SER 141 2HB SER 141 14.272 6.600 8.921 1090 2HB SER 141 1HB SER 141 13.060 6.796 7.659 1091 HG SER 141 HG SER 141 13.493 8.540 9.862 1092 H ARG 142 HN ARG 142 12.270 3.763 9.515 1093 HA ARG 142 HA ARG 142 14.134 3.533 11.840 1094 1HB ARG 142 2HB ARG 142 11.699 2.999 12.403 1095 2HB ARG 142 1HB ARG 142 11.836 1.635 11.294 1096 1HG ARG 142 2HG ARG 142 13.534 0.602 12.610 1097 2HG ARG 142 1HG ARG 142 13.784 2.064 13.566 1098 1HD ARG 142 2HD ARG 142 11.250 1.760 14.184 1099 2HD ARG 142 1HD ARG 142 11.525 0.091 13.681 1100 HE ARG 142 HE ARG 142 13.457 1.198 15.621 1101 1HH1 ARG 142 1HH2 ARG 142 10.617 -0.715 15.011 1102 2HH1 ARG 142 2HH2 ARG 142 10.746 -1.582 16.500 1103 1HH2 ARG 142 1HH1 ARG 142 13.597 0.071 17.554 1104 2HH2 ARG 142 2HH1 ARG 142 12.419 -1.141 17.933 1105 H THR 143 HN THR 143 15.879 2.182 11.379 1106 HA THR 143 HA THR 143 15.772 0.735 8.781 1107 HB THR 143 HB THR 143 18.249 1.160 10.442 1108 HG1 THR 143 HG1 THR 143 17.209 2.970 8.530 1109 1HG2 THR 143 1HG2 THR 143 18.446 1.487 7.569 1110 2HG2 THR 143 2HG2 THR 143 17.689 -0.055 7.971 1111 3HG2 THR 143 3HG2 THR 143 19.280 0.341 8.619 1112 H VAL 144 HN VAL 144 15.539 -1.440 8.834 1113 HA VAL 144 HA VAL 144 16.354 -2.866 11.335 1114 HB VAL 144 HB VAL 144 13.893 -2.849 10.960 1115 1HG1 VAL 144 1HG1 VAL 144 14.450 -2.959 8.332 1116 2HG1 VAL 144 2HG1 VAL 144 12.914 -3.520 8.994 1117 3HG1 VAL 144 3HG1 VAL 144 14.194 -4.678 8.631 1118 1HG2 VAL 144 1HG2 VAL 144 13.934 -4.868 11.961 1119 2HG2 VAL 144 2HG2 VAL 144 15.590 -5.102 11.401 1120 3HG2 VAL 144 3HG2 VAL 144 14.238 -5.647 10.409 1121 H GLU 145 HN GLU 145 18.029 -4.227 11.018 1122 HA GLU 145 HA GLU 145 18.827 -4.941 8.276 1123 1HB GLU 145 2HB GLU 145 20.099 -5.407 10.985 1124 2HB GLU 145 1HB GLU 145 20.799 -5.979 9.470 1125 1HG GLU 145 HG2 GLU 145 20.330 -3.394 8.812 1126 2HG GLU 145 HG1 GLU 145 20.612 -3.218 10.545 1127 H ASP 146 HN ASP 146 19.347 -7.222 7.756 1128 HA ASP 146 HA ASP 146 17.851 -9.222 9.371 1129 1HB ASP 146 2HB ASP 146 16.779 -8.134 7.054 1130 2HB ASP 146 1HB ASP 146 17.524 -9.627 6.485 1131 H THR 147 HN THR 147 18.513 -11.450 8.863 1132 HA THR 147 HA THR 147 21.336 -11.741 8.522 1133 HB THR 147 HB THR 147 20.638 -14.227 8.136 1134 HG1 THR 147 HG1 THR 147 18.466 -13.548 7.547 1135 1HG2 THR 147 1HG2 THR 147 19.951 -12.655 10.628 1136 2HG2 THR 147 2HG2 THR 147 21.470 -13.476 10.269 1137 3HG2 THR 147 3HG2 THR 147 20.009 -14.417 10.569 1138 H ASN 148 HN ASN 148 18.842 -11.340 6.234 1139 HA ASN 148 HA ASN 148 20.535 -12.478 4.053 1140 1HB ASN 148 2HB ASN 148 17.980 -13.031 4.404 1141 2HB ASN 148 1HB ASN 148 17.752 -11.486 3.592 1142 1HD2 ASN 148 1HD2 ASN 148 19.776 -14.448 3.153 1143 2HD2 ASN 148 2HD2 ASN 148 19.588 -14.495 1.466 1144 HA PRO 149 HA PRO 149 22.045 -8.374 3.166 1145 1HB PRO 149 2HB PRO 149 22.392 -9.198 0.407 1146 2HB PRO 149 1HB PRO 149 23.624 -8.869 1.631 1147 1HG PRO 149 2HG PRO 149 22.726 -11.407 0.645 1148 2HG PRO 149 1HG PRO 149 24.003 -11.071 1.821 1149 1HD PRO 149 2HD PRO 149 21.524 -12.274 2.360 1150 2HD PRO 149 1HD PRO 149 22.674 -11.656 3.555 1151 H ALA 150 HN ALA 150 19.943 -9.949 0.724 1152 HA ALA 150 HA ALA 150 19.013 -7.383 -0.285 1153 1HB ALA 150 1HB ALA 150 18.045 -10.215 -0.750 1154 2HB ALA 150 2HB ALA 150 19.094 -9.264 -1.803 1155 3HB ALA 150 3HB ALA 150 17.405 -8.803 -1.592 1156 H LEU 151 HN LEU 151 17.801 -9.729 2.076 1157 HA LEU 151 HA LEU 151 15.147 -8.590 2.199 1158 1HB LEU 151 2HB LEU 151 16.640 -10.231 4.261 1159 2HB LEU 151 1HB LEU 151 14.912 -9.901 4.274 1160 HG LEU 151 HG LEU 151 16.430 -11.425 2.135 1161 1HD1 LEU 151 1HD1 LEU 151 16.054 -13.141 3.556 1162 2HD1 LEU 151 2HD1 LEU 151 14.352 -12.982 3.119 1163 3HD1 LEU 151 3HD1 LEU 151 14.972 -12.175 4.559 1164 1HD2 LEU 151 1HD2 LEU 151 14.734 -10.883 0.747 1165 2HD2 LEU 151 2HD2 LEU 151 13.910 -10.000 2.030 1166 3HD2 LEU 151 3HD2 LEU 151 13.634 -11.728 1.833 1167 H THR 152 HN THR 152 18.064 -7.241 3.083 1168 HA THR 152 HA THR 152 17.326 -6.003 5.599 1169 HB THR 152 HB THR 152 19.281 -4.933 3.541 1170 HG1 THR 152 HG1 THR 152 19.911 -6.999 3.884 1171 1HG2 THR 152 1HG2 THR 152 18.518 -3.679 5.724 1172 2HG2 THR 152 2HG2 THR 152 20.228 -3.731 5.292 1173 3HG2 THR 152 3HG2 THR 152 19.596 -4.827 6.520 1174 H HIS 153 HN HIS 153 16.381 -3.879 5.878 1175 HA HIS 153 HA HIS 153 15.848 -2.224 3.548 1176 1HB HIS 153 2HB HIS 153 13.338 -2.418 3.697 1177 2HB HIS 153 1HB HIS 153 14.147 -3.845 3.056 1178 HD1 HIS 153 HD1 HIS 153 14.744 -5.701 5.063 1179 HD2 HIS 153 HD2 HIS 153 11.607 -3.043 5.746 1180 HE1 HIS 153 HE1 HIS 153 13.336 -6.714 6.908 1181 H THR 154 HN THR 154 14.347 -0.382 4.118 1182 HA THR 154 HA THR 154 14.496 0.276 7.030 1183 HB THR 154 HB THR 154 14.890 2.296 4.811 1184 HG1 THR 154 HG1 THR 154 16.896 0.966 6.306 1185 1HG2 THR 154 1HG2 THR 154 16.188 3.318 6.874 1186 2HG2 THR 154 2HG2 THR 154 15.138 2.239 7.791 1187 3HG2 THR 154 3HG2 THR 154 14.436 3.477 6.752 1188 H TYR 155 HN TYR 155 12.728 1.608 7.771 1189 HA TYR 155 HA TYR 155 10.384 1.557 5.927 1190 1HB TYR 155 2HB TYR 155 10.514 1.898 8.941 1191 2HB TYR 155 1HB TYR 155 9.034 1.837 7.985 1192 HD1 TYR 155 HD1 TYR 155 8.645 -0.263 6.527 1193 HD2 TYR 155 HD2 TYR 155 11.504 -0.081 9.722 1194 HE1 TYR 155 HE1 TYR 155 8.667 -2.739 6.646 1195 HE2 TYR 155 HE2 TYR 155 11.526 -2.555 9.843 1196 HH TYR 155 HH TYR 155 10.925 -4.461 8.740 1197 H GLU 156 HN GLU 156 9.822 3.495 5.014 1198 HA GLU 156 HA GLU 156 10.789 5.974 6.353 1199 1HB GLU 156 2HB GLU 156 9.880 5.522 3.498 1200 2HB GLU 156 1HB GLU 156 10.482 7.044 4.152 1201 1HG GLU 156 HG2 GLU 156 12.630 5.927 4.714 1202 2HG GLU 156 HG1 GLU 156 12.029 4.443 3.972 1203 H VAL 157 HN VAL 157 9.328 7.760 6.523 1204 HA VAL 157 HA VAL 157 6.451 7.232 6.044 1205 HB VAL 157 HB VAL 157 7.514 8.105 8.753 1206 1HG1 VAL 157 1HG1 VAL 157 4.892 7.408 9.085 1207 2HG1 VAL 157 2HG1 VAL 157 4.852 8.099 7.463 1208 3HG1 VAL 157 3HG1 VAL 157 5.446 9.061 8.817 1209 1HG2 VAL 157 1HG2 VAL 157 6.102 5.824 9.197 1210 2HG2 VAL 157 2HG2 VAL 157 7.847 5.846 8.940 1211 3HG2 VAL 157 3HG2 VAL 157 6.763 5.475 7.600 1212 H TRP 158 HN TRP 158 5.768 9.039 4.926 1213 HA TRP 158 HA TRP 158 7.107 11.629 5.606 1214 1HB TRP 158 2HB TRP 158 5.840 10.884 2.958 1215 2HB TRP 158 1HB TRP 158 6.768 12.336 3.314 1216 HD1 TRP 158 HD1 TRP 158 7.324 8.502 3.466 1217 HE1 TRP 158 HE1 TRP 158 9.748 8.023 2.734 1218 HE3 TRP 158 HE3 TRP 158 8.982 13.273 2.712 1219 HZ2 TRP 158 HZ2 TRP 158 12.085 9.467 1.942 1220 HZ3 TRP 158 HZ3 TRP 158 11.310 13.692 1.970 1221 HH2 TRP 158 HH2 TRP 158 12.862 11.797 1.583 1222 H GLN 159 HN GLN 159 5.735 13.559 5.256 1223 HA GLN 159 HA GLN 159 2.807 13.057 5.454 1224 1HB GLN 159 2HB GLN 159 4.503 14.671 7.382 1225 2HB GLN 159 1HB GLN 159 2.754 14.866 7.256 1226 1HG GLN 159 2HG GLN 159 2.598 12.333 7.621 1227 2HG GLN 159 1HG GLN 159 4.294 12.406 8.100 1228 1HE2 GLN 159 1HE2 GLN 159 1.243 12.440 9.413 1229 2HE2 GLN 159 2HE2 GLN 159 1.552 13.333 10.824 1230 H LYS 160 HN LYS 160 1.588 14.745 4.428 1231 HA LYS 160 HA LYS 160 3.086 16.419 2.600 1232 1HB LYS 160 2HB LYS 160 0.664 15.379 2.408 1233 2HB LYS 160 1HB LYS 160 0.186 16.879 3.203 1234 1HG LYS 160 2HG LYS 160 1.169 18.211 1.454 1235 2HG LYS 160 1HG LYS 160 1.919 16.793 0.722 1236 1HD LYS 160 2HD LYS 160 -0.327 15.853 0.265 1237 2HD LYS 160 1HD LYS 160 -1.062 17.299 0.959 1238 1HE LYS 160 2HE LYS 160 0.235 18.652 -0.749 1239 2HE LYS 160 1HE LYS 160 0.671 17.127 -1.518 1240 1HZ LYS 160 1HE LYS 160 -2.013 16.916 -1.179 1241 2HZ LYS 160 2HE LYS 160 -1.233 17.358 -2.622 1242 3HZ LYS 160 3HE LYS 160 -1.819 18.555 -1.569 1243 H LYS 161 HN LYS 161 3.794 18.465 2.944 1244 HA LYS 161 HA LYS 161 3.449 19.732 5.528 1245 1HB LYS 161 2HB LYS 161 4.616 20.744 2.918 1246 2HB LYS 161 1HB LYS 161 4.675 21.637 4.438 1247 1HG LYS 161 2HG LYS 161 5.704 18.806 4.238 1248 2HG LYS 161 1HG LYS 161 6.727 20.188 3.842 1249 1HD LYS 161 2HD LYS 161 7.211 20.079 6.082 1250 2HD LYS 161 1HD LYS 161 5.741 21.045 6.201 1251 1HE LYS 161 2HE LYS 161 4.894 19.423 7.518 1252 2HE LYS 161 1HE LYS 161 4.839 18.392 6.088 1253 1HZ LYS 161 1HE LYS 161 7.367 18.674 7.555 1254 2HZ LYS 161 2HE LYS 161 6.792 17.368 6.632 1255 3HZ LYS 161 3HE LYS 161 6.162 17.658 8.183 1256 H ALA 162 HN ALA 162 2.286 21.668 5.976 1257 HA ALA 162 HA ALA 162 0.487 22.731 3.884 1258 1HB ALA 162 1HB ALA 162 -1.241 22.480 6.049 1259 2HB ALA 162 2HB ALA 162 -0.378 20.942 6.032 1260 3HB ALA 162 3HB ALA 162 -1.254 21.477 4.599 1261 AH51 NDP 168 AH51 NDP 168 -5.629 -0.947 -9.752 1262 AH52 NDP 168 AH52 NDP 168 -5.847 -2.013 -8.368 1263 AH4* NDP 168 AH4* NDP 168 -7.469 -3.351 -9.865 1264 AH3* NDP 168 AH3* NDP 168 -7.159 -0.903 -11.614 1265 AHO3 NDP 168 AHO3 NDP 168 -6.240 -2.908 -12.295 1266 AH2* NDP 168 AH2* NDP 168 -9.504 -1.048 -12.067 1267 AH1* NDP 168 AH1* NDP 168 -10.285 -1.532 -9.458 1268 AH8 NDP 168 AH8 NDP 168 -7.341 0.855 -9.768 1269 AH61 NDP 168 AH61 NDP 168 -11.632 5.337 -9.742 1270 AH62 NDP 168 AH62 NDP 168 -9.917 4.994 -9.780 1271 AH2 NDP 168 AH2 NDP 168 -13.751 1.391 -9.915 1272 NH51 NDP 168 NH51 NDP 168 -1.675 -5.397 -9.468 1273 NH52 NDP 168 NH52 NDP 168 -1.426 -4.273 -8.124 1274 NH4* NDP 168 NH4* NDP 168 0.638 -6.213 -9.280 1275 NH3* NDP 168 NH3* NDP 168 -0.904 -6.297 -6.673 1276 NHO3 NDP 168 NHO3 NDP 168 -0.191 -8.132 -8.749 1277 NH2* NDP 168 NH2* NDP 168 1.027 -7.357 -5.722 1278 NHO2 NDP 168 NHO2 NDP 168 2.747 -7.508 -7.757 1279 NH1* NDP 168 NH1* NDP 168 2.881 -5.681 -6.945 1280 NH2 NDP 168 NH2 NDP 168 3.607 -4.220 -5.198 1281 NH71 NDP 168 NH71 NDP 168 5.085 -3.690 -4.539 1282 NH72 NDP 168 NH72 NDP 168 5.694 -2.798 -3.164 1283 NH41 NDP 168 NH41 NDP 168 0.721 -2.415 -3.140 1284 NH42 NDP 168 NH42 NDP 168 1.052 -3.881 -2.157 1285 NH5 NDP 168 NH5 NDP 168 -1.056 -4.122 -3.451 1286 NH6 NDP 168 NH6 NDP 168 -0.563 -5.484 -5.540 1287 H1 TRR 170 H1 TRR 170 4.834 -5.246 1.706 1288 1H2 TRR 170 1H2 TRR 170 5.016 -1.805 2.594 1289 2H2 TRR 170 2H2 TRR 170 5.858 -3.294 2.617 1290 1H4 TRR 170 1H4 TRR 170 -0.116 -2.972 0.059 1291 2H4 TRR 170 2H4 TRR 170 0.606 -1.577 0.704 1292 H6 TRR 170 H6 TRR 170 3.020 -6.423 0.633 1293 1H7 TRR 170 1H7 TRR 170 0.530 -4.866 -1.136 1294 2H7 TRR 170 2H7 TRR 170 -0.246 -5.074 0.433 1295 H12 TRR 170 H12 TRR 170 1.409 -6.700 -2.321 1296 H16 TRR 170 H16 TRR 170 0.211 -7.138 1.799 1297 1H17 TRR 170 1H17 TRR 170 2.485 -9.031 -4.673 1298 2H17 TRR 170 2H17 TRR 170 2.656 -7.655 -3.595 1299 3H17 TRR 170 3H17 TRR 170 1.082 -8.055 -4.266 1300 1H18 TRR 170 1H18 TRR 170 2.851 -11.915 -1.333 1301 2H18 TRR 170 2H18 TRR 170 3.215 -10.700 -0.116 1302 3H18 TRR 170 3H18 TRR 170 2.496 -12.232 0.359 1303 1H19 TRR 170 1H19 TRR 170 -1.020 -8.863 2.999 1304 2H19 TRR 170 2H19 TRR 170 0.639 -8.374 3.311 1305 3H19 TRR 170 3H19 TRR 170 0.064 -9.938 3.871 Start of MODEL 9 1 1H THR 1 1H THR 1 -5.082 11.449 3.042 2 2H THR 1 2H THR 1 -5.280 10.660 4.533 3 3H THR 1 3H THR 1 -6.601 10.834 3.479 4 HA THR 1 HA THR 1 -5.744 8.580 3.407 5 HB THR 1 HB THR 1 -5.033 10.074 0.872 6 HG1 THR 1 HG1 THR 1 -7.537 9.349 1.975 7 1HG2 THR 1 1HG2 THR 1 -5.602 8.060 -0.242 8 2HG2 THR 1 2HG2 THR 1 -6.391 7.398 1.190 9 3HG2 THR 1 3HG2 THR 1 -4.634 7.549 1.141 10 H ALA 2 HN ALA 2 -3.939 7.190 3.198 11 HA ALA 2 HA ALA 2 -1.288 8.551 2.970 12 1HB ALA 2 1HB ALA 2 -2.024 6.332 4.903 13 2HB ALA 2 2HB ALA 2 -1.749 8.019 5.337 14 3HB ALA 2 3HB ALA 2 -0.419 7.040 4.718 15 H PHE 3 HN PHE 3 0.404 7.228 2.079 16 HA PHE 3 HA PHE 3 -0.629 4.953 0.439 17 1HB PHE 3 2HB PHE 3 1.603 6.937 0.108 18 2HB PHE 3 1HB PHE 3 1.733 5.366 -0.672 19 HD1 PHE 3 HD1 PHE 3 -1.553 6.943 -0.129 20 HD2 PHE 3 HD2 PHE 3 1.649 6.320 -2.910 21 HE1 PHE 3 HE1 PHE 3 -2.997 7.737 -1.970 22 HE2 PHE 3 HE2 PHE 3 0.202 7.110 -4.759 23 HZ PHE 3 HZ PHE 3 -2.125 7.821 -4.288 24 H LEU 4 HN LEU 4 0.246 2.887 0.772 25 HA LEU 4 HA LEU 4 2.645 2.714 2.540 26 1HB LEU 4 2HB LEU 4 0.691 2.275 3.947 27 2HB LEU 4 1HB LEU 4 0.086 1.100 2.781 28 HG LEU 4 HG LEU 4 2.185 -0.236 3.129 29 1HD1 LEU 4 1HD1 LEU 4 2.595 1.702 5.428 30 2HD1 LEU 4 2HD1 LEU 4 3.564 1.670 3.955 31 3HD1 LEU 4 3HD1 LEU 4 3.593 0.296 5.060 32 1HD2 LEU 4 1HD2 LEU 4 0.398 0.366 5.501 33 2HD2 LEU 4 2HD2 LEU 4 1.539 -0.979 5.471 34 3HD2 LEU 4 3HD2 LEU 4 0.207 -0.925 4.316 35 H TRP 5 HN TRP 5 3.922 2.187 0.668 36 HA TRP 5 HA TRP 5 3.361 -0.548 -0.385 37 1HB TRP 5 2HB TRP 5 3.817 0.097 -2.627 38 2HB TRP 5 1HB TRP 5 2.723 1.328 -2.005 39 HD1 TRP 5 HD1 TRP 5 6.128 0.852 -3.456 40 HE1 TRP 5 HE1 TRP 5 7.369 3.108 -3.557 41 HE3 TRP 5 HE3 TRP 5 3.002 3.709 -0.598 42 HZ2 TRP 5 HZ2 TRP 5 7.078 5.770 -2.559 43 HZ3 TRP 5 HZ3 TRP 5 3.513 6.101 -0.190 44 HH2 TRP 5 HH2 TRP 5 5.543 7.133 -1.165 45 H ALA 6 HN ALA 6 5.165 -1.860 -0.536 46 HA ALA 6 HA ALA 6 7.705 -0.702 0.480 47 1HB ALA 6 1HB ALA 6 7.373 -2.657 1.668 48 2HB ALA 6 2HB ALA 6 8.266 -3.312 0.296 49 3HB ALA 6 3HB ALA 6 6.508 -3.436 0.344 50 H GLN 7 HN GLN 7 9.352 -0.274 -0.929 51 HA GLN 7 HA GLN 7 9.282 -1.650 -3.580 52 1HB GLN 7 2HB GLN 7 9.993 0.420 -4.657 53 2HB GLN 7 1HB GLN 7 8.512 0.722 -3.749 54 1HG GLN 7 2HG GLN 7 9.843 1.619 -1.871 55 2HG GLN 7 1HG GLN 7 11.324 1.326 -2.783 56 1HE2 GLN 7 1HE2 GLN 7 12.045 3.084 -3.992 57 2HE2 GLN 7 2HE2 GLN 7 11.071 4.372 -4.515 58 H ASP 8 HN ASP 8 11.399 -1.902 -4.594 59 HA ASP 8 HA ASP 8 13.484 -2.401 -2.601 60 1HB ASP 8 2HB ASP 8 14.704 -3.455 -4.396 61 2HB ASP 8 1HB ASP 8 13.015 -3.936 -4.552 62 H ARG 9 HN ARG 9 15.823 -1.804 -3.898 63 HA ARG 9 HA ARG 9 16.194 0.945 -3.304 64 1HB ARG 9 2HB ARG 9 18.371 0.717 -4.502 65 2HB ARG 9 1HB ARG 9 18.085 -0.579 -3.345 66 1HG ARG 9 2HG ARG 9 18.487 -2.023 -5.027 67 2HG ARG 9 1HG ARG 9 16.943 -1.525 -5.710 68 1HD ARG 9 2HD ARG 9 18.030 -0.648 -7.473 69 2HD ARG 9 1HD ARG 9 18.841 0.484 -6.395 70 HE ARG 9 HE ARG 9 19.964 -2.041 -7.426 71 1HH1 ARG 9 1HH1 ARG 9 20.196 0.621 -5.200 72 2HH1 ARG 9 2HH1 ARG 9 21.882 0.375 -4.908 73 1HH2 ARG 9 1HH2 ARG 9 22.150 -2.347 -7.026 74 2HH2 ARG 9 2HH2 ARG 9 22.982 -1.293 -5.932 75 H ASP 10 HN ASP 10 15.547 -0.641 -6.436 76 HA ASP 10 HA ASP 10 15.790 1.814 -7.956 77 1HB ASP 10 2HB ASP 10 14.653 -0.921 -8.524 78 2HB ASP 10 1HB ASP 10 14.462 0.398 -9.680 79 H GLY 11 HN GLY 11 13.205 0.238 -6.207 80 1HA GLY 11 2HA GLY 11 11.322 1.603 -5.410 81 2HA GLY 11 1HA GLY 11 11.447 2.554 -6.888 82 H LEU 12 HN LEU 12 11.469 -0.986 -6.622 83 HA LEU 12 HA LEU 12 9.320 -1.156 -8.625 84 1HB LEU 12 2HB LEU 12 11.405 -2.699 -8.390 85 2HB LEU 12 1HB LEU 12 10.498 -3.471 -7.094 86 HG LEU 12 HG LEU 12 8.583 -3.723 -8.754 87 1HD1 LEU 12 1HD1 LEU 12 10.635 -2.408 -10.415 88 2HD1 LEU 12 2HD1 LEU 12 8.886 -2.473 -10.623 89 3HD1 LEU 12 3HD1 LEU 12 9.886 -3.821 -11.160 90 1HD2 LEU 12 1HD2 LEU 12 9.979 -5.615 -8.141 91 2HD2 LEU 12 2HD2 LEU 12 11.231 -5.103 -9.270 92 3HD2 LEU 12 3HD2 LEU 12 9.676 -5.675 -9.876 93 H ILE 13 HN ILE 13 7.352 -2.609 -8.096 94 HA ILE 13 HA ILE 13 6.706 -2.522 -5.192 95 HB ILE 13 HB ILE 13 4.323 -1.904 -5.911 96 1HG1 ILE 13 2HG1 ILE 13 5.295 -0.424 -8.229 97 2HG1 ILE 13 1HG1 ILE 13 5.445 -2.165 -8.459 98 1HG2 ILE 13 1HG2 ILE 13 5.270 0.583 -6.406 99 2HG2 ILE 13 2HG2 ILE 13 6.724 -0.177 -5.761 100 3HG2 ILE 13 3HG2 ILE 13 5.249 -0.145 -4.800 101 1HD1 ILE 13 1HD1 ILE 13 3.125 -0.699 -8.826 102 2HD1 ILE 13 2HD1 ILE 13 2.901 -1.394 -7.221 103 3HD1 ILE 13 3HD1 ILE 13 3.203 -2.446 -8.603 104 H GLY 14 HN GLY 14 6.659 -4.259 -8.161 105 1HA GLY 14 2HA GLY 14 6.114 -6.748 -7.204 106 2HA GLY 14 1HA GLY 14 4.490 -6.071 -7.307 107 H LYS 15 HN LYS 15 6.046 -8.220 -8.907 108 HA LYS 15 HA LYS 15 5.319 -7.102 -11.580 109 1HB LYS 15 2HB LYS 15 7.789 -7.208 -11.274 110 2HB LYS 15 1HB LYS 15 7.653 -8.939 -10.967 111 1HG LYS 15 2HG LYS 15 6.237 -8.292 -13.393 112 2HG LYS 15 1HG LYS 15 7.875 -7.643 -13.482 113 1HD LYS 15 2HD LYS 15 7.220 -10.494 -12.687 114 2HD LYS 15 1HD LYS 15 7.700 -10.004 -14.312 115 1HE LYS 15 2HE LYS 15 9.882 -9.635 -13.705 116 2HE LYS 15 1HE LYS 15 9.449 -9.099 -12.082 117 1HZ LYS 15 1HE LYS 15 10.278 -11.114 -11.555 118 2HZ LYS 15 2HE LYS 15 9.952 -11.787 -13.080 119 3HZ LYS 15 3HE LYS 15 8.707 -11.629 -11.935 120 H ASP 16 HN ASP 16 4.074 -8.428 -12.825 121 HA ASP 16 HA ASP 16 2.727 -10.243 -13.399 122 1HB ASP 16 2HB ASP 16 5.222 -11.502 -12.310 123 2HB ASP 16 1HB ASP 16 3.851 -12.525 -12.741 124 H GLY 17 HN GLY 17 1.828 -9.018 -10.984 125 1HA GLY 17 2HA GLY 17 0.183 -9.619 -9.429 126 2HA GLY 17 1HA GLY 17 0.479 -11.312 -9.806 127 H HIS 18 HN HIS 18 2.356 -12.331 -8.793 128 HA HIS 18 HA HIS 18 2.514 -11.896 -6.016 129 1HB HIS 18 2HB HIS 18 4.522 -13.390 -6.114 130 2HB HIS 18 1HB HIS 18 3.142 -14.022 -7.008 131 HD1 HIS 18 HD1 HIS 18 6.466 -12.299 -7.555 132 HD2 HIS 18 HD2 HIS 18 3.543 -14.275 -9.775 133 HE1 HIS 18 HE1 HIS 18 7.422 -12.613 -9.879 134 H LEU 19 HN LEU 19 5.190 -11.866 -5.297 135 HA LEU 19 HA LEU 19 6.031 -9.112 -6.096 136 1HB LEU 19 2HB LEU 19 6.140 -10.580 -3.463 137 2HB LEU 19 1HB LEU 19 7.280 -9.277 -3.801 138 HG LEU 19 HG LEU 19 4.316 -8.896 -4.205 139 1HD1 LEU 19 1HD1 LEU 19 5.023 -9.666 -1.812 140 2HD1 LEU 19 2HD1 LEU 19 4.013 -8.229 -1.975 141 3HD1 LEU 19 3HD1 LEU 19 5.745 -8.061 -1.690 142 1HD2 LEU 19 1HD2 LEU 19 6.701 -7.084 -3.755 143 2HD2 LEU 19 2HD2 LEU 19 5.035 -6.509 -3.717 144 3HD2 LEU 19 3HD2 LEU 19 5.697 -7.193 -5.201 145 HA PRO 20 HA PRO 20 9.798 -10.950 -7.529 146 1HB PRO 20 2HB PRO 20 11.447 -8.709 -7.008 147 2HB PRO 20 1HB PRO 20 10.578 -9.064 -8.508 148 1HG PRO 20 2HG PRO 20 10.072 -6.953 -6.699 149 2HG PRO 20 1HG PRO 20 9.101 -7.418 -8.102 150 1HD PRO 20 2HD PRO 20 8.609 -7.921 -5.240 151 2HD PRO 20 1HD PRO 20 7.473 -7.938 -6.604 152 H TRP 21 HN TRP 21 9.970 -9.222 -4.433 153 HA TRP 21 HA TRP 21 12.195 -11.031 -3.611 154 1HB TRP 21 2HB TRP 21 12.580 -9.336 -1.817 155 2HB TRP 21 1HB TRP 21 12.712 -8.641 -3.433 156 HD1 TRP 21 HD1 TRP 21 10.273 -8.870 -0.475 157 HE1 TRP 21 HE1 TRP 21 8.605 -6.911 -0.630 158 HE3 TRP 21 HE3 TRP 21 11.672 -6.864 -4.965 159 HZ2 TRP 21 HZ2 TRP 21 7.954 -4.775 -2.410 160 HZ3 TRP 21 HZ3 TRP 21 10.505 -4.866 -5.859 161 HH2 TRP 21 HH2 TRP 21 8.654 -3.821 -4.590 162 H HIS 22 HN HIS 22 11.818 -12.489 -1.975 163 HA HIS 22 HA HIS 22 9.087 -12.574 -0.832 164 1HB HIS 22 2HB HIS 22 10.329 -14.637 -1.737 165 2HB HIS 22 1HB HIS 22 11.331 -14.530 -0.289 166 HD1 HIS 22 HD1 HIS 22 10.458 -15.860 1.623 167 HD2 HIS 22 HD2 HIS 22 7.376 -14.608 -0.891 168 HE1 HIS 22 HE1 HIS 22 8.316 -16.805 2.589 169 H LEU 23 HN LEU 23 9.033 -10.964 0.747 170 HA LEU 23 HA LEU 23 10.986 -11.287 2.989 171 1HB LEU 23 2HB LEU 23 11.480 -9.250 1.645 172 2HB LEU 23 1HB LEU 23 9.841 -8.675 1.950 173 HG LEU 23 HG LEU 23 10.364 -8.861 4.433 174 1HD1 LEU 23 1HD1 LEU 23 12.342 -10.382 4.069 175 2HD1 LEU 23 2HD1 LEU 23 12.680 -8.996 5.105 176 3HD1 LEU 23 3HD1 LEU 23 13.212 -8.992 3.425 177 1HD2 LEU 23 1HD2 LEU 23 12.316 -6.959 3.185 178 2HD2 LEU 23 2HD2 LEU 23 11.152 -6.672 4.478 179 3HD2 LEU 23 3HD2 LEU 23 10.605 -6.773 2.803 180 HA PRO 24 HA PRO 24 6.879 -11.916 4.879 181 1HB PRO 24 2HB PRO 24 8.183 -13.044 7.151 182 2HB PRO 24 1HB PRO 24 7.299 -13.897 5.879 183 1HG PRO 24 2HG PRO 24 10.097 -13.917 6.364 184 2HG PRO 24 1HG PRO 24 9.219 -14.697 5.042 185 1HD PRO 24 2HD PRO 24 10.880 -12.319 4.965 186 2HD PRO 24 1HD PRO 24 10.181 -13.232 3.620 187 H ASP 25 HN ASP 25 9.832 -10.637 6.365 188 HA ASP 25 HA ASP 25 8.640 -9.432 8.655 189 1HB ASP 25 2HB ASP 25 11.176 -9.682 7.820 190 2HB ASP 25 1HB ASP 25 10.888 -8.024 7.293 191 H ASP 26 HN ASP 26 8.747 -8.429 5.291 192 HA ASP 26 HA ASP 26 7.869 -5.700 5.878 193 1HB ASP 26 2HB ASP 26 9.173 -5.980 3.886 194 2HB ASP 26 1HB ASP 26 8.141 -7.288 3.313 195 H LEU 27 HN LEU 27 6.363 -8.703 4.655 196 HA LEU 27 HA LEU 27 3.773 -7.726 4.145 197 1HB LEU 27 2HB LEU 27 4.575 -10.389 5.362 198 2HB LEU 27 1HB LEU 27 2.996 -10.032 4.662 199 HG LEU 27 HG LEU 27 5.569 -9.698 3.109 200 1HD1 LEU 27 1HD1 LEU 27 4.458 -11.927 2.051 201 2HD1 LEU 27 2HD1 LEU 27 3.986 -12.134 3.738 202 3HD1 LEU 27 3HD1 LEU 27 5.690 -11.977 3.312 203 1HD2 LEU 27 1HD2 LEU 27 4.218 -9.112 1.380 204 2HD2 LEU 27 2HD2 LEU 27 2.992 -8.835 2.617 205 3HD2 LEU 27 3HD2 LEU 27 3.044 -10.373 1.755 206 H HIS 28 HN HIS 28 5.139 -8.916 7.225 207 HA HIS 28 HA HIS 28 2.812 -8.483 8.816 208 1HB HIS 28 2HB HIS 28 5.749 -8.347 9.576 209 2HB HIS 28 1HB HIS 28 4.417 -8.397 10.732 210 HD1 HIS 28 HD1 HIS 28 2.608 -10.520 9.644 211 HD2 HIS 28 HD2 HIS 28 6.756 -10.920 9.552 212 HE1 HIS 28 HE1 HIS 28 3.085 -13.000 9.456 213 H TYR 29 HN TYR 29 5.478 -6.346 7.873 214 HA TYR 29 HA TYR 29 4.719 -4.104 9.499 215 1HB TYR 29 2HB TYR 29 6.922 -4.353 8.315 216 2HB TYR 29 1HB TYR 29 6.087 -4.054 6.791 217 HD1 TYR 29 HD1 TYR 29 6.849 -2.577 10.126 218 HD2 TYR 29 HD2 TYR 29 5.527 -1.849 6.104 219 HE1 TYR 29 HE1 TYR 29 7.015 -0.133 10.514 220 HE2 TYR 29 HE2 TYR 29 5.691 0.594 6.492 221 HH TYR 29 HH TYR 29 5.846 2.190 8.151 222 H PHE 30 HN PHE 30 3.755 -5.219 6.304 223 HA PHE 30 HA PHE 30 2.218 -2.897 5.571 224 1HB PHE 30 2HB PHE 30 2.863 -4.482 3.854 225 2HB PHE 30 1HB PHE 30 2.014 -5.789 4.680 226 HD1 PHE 30 HD1 PHE 30 1.397 -2.376 3.244 227 HD2 PHE 30 HD2 PHE 30 -0.190 -6.277 4.083 228 HE1 PHE 30 HE1 PHE 30 -0.699 -1.779 2.060 229 HE2 PHE 30 HE2 PHE 30 -2.284 -5.681 2.901 230 HZ PHE 30 HZ PHE 30 -2.539 -3.432 1.887 231 H ARG 31 HN ARG 31 1.304 -6.000 7.086 232 HA ARG 31 HA ARG 31 -1.484 -5.424 7.321 233 1HB ARG 31 2HB ARG 31 -0.226 -7.660 7.663 234 2HB ARG 31 1HB ARG 31 0.069 -7.086 9.303 235 1HG ARG 31 2HG ARG 31 -2.436 -6.702 9.498 236 2HG ARG 31 1HG ARG 31 -2.605 -7.582 7.977 237 1HD ARG 31 2HD ARG 31 -2.902 -9.185 9.749 238 2HD ARG 31 1HD ARG 31 -1.312 -9.476 9.046 239 HE ARG 31 HE ARG 31 -1.520 -7.747 11.457 240 1HH1 ARG 31 1HH2 ARG 31 -0.481 -10.684 9.903 241 2HH1 ARG 31 2HH2 ARG 31 0.605 -11.108 11.180 242 1HH2 ARG 31 1HH1 ARG 31 -0.111 -8.328 13.110 243 2HH2 ARG 31 2HH1 ARG 31 0.813 -9.788 12.982 244 H ALA 32 HN ALA 32 0.944 -5.409 9.949 245 HA ALA 32 HA ALA 32 -0.541 -4.137 11.926 246 1HB ALA 32 1HB ALA 32 1.652 -4.939 12.456 247 2HB ALA 32 2HB ALA 32 1.682 -3.196 12.724 248 3HB ALA 32 3HB ALA 32 2.398 -3.876 11.262 249 H GLN 33 HN GLN 33 1.132 -2.601 9.198 250 HA GLN 33 HA GLN 33 0.724 0.105 10.082 251 1HB GLN 33 2HB GLN 33 1.554 -1.252 7.577 252 2HB GLN 33 1HB GLN 33 0.876 0.365 7.392 253 1HG GLN 33 2HG GLN 33 2.859 0.009 9.578 254 2HG GLN 33 1HG GLN 33 3.485 -0.059 7.930 255 1HE2 GLN 33 1HE2 GLN 33 1.633 2.018 10.180 256 2HE2 GLN 33 2HE2 GLN 33 1.949 3.467 9.354 257 H THR 34 HN THR 34 -1.425 -2.214 8.712 258 HA THR 34 HA THR 34 -3.407 -0.021 8.219 259 HB THR 34 HB THR 34 -4.441 -1.538 6.521 260 HG1 THR 34 HG1 THR 34 -2.052 -3.021 6.859 261 1HG2 THR 34 1HG2 THR 34 -1.818 -0.235 6.355 262 2HG2 THR 34 2HG2 THR 34 -3.193 -0.139 5.255 263 3HG2 THR 34 3HG2 THR 34 -2.055 -1.479 5.127 264 H VAL 35 HN VAL 35 -2.959 -1.514 10.728 265 HA VAL 35 HA VAL 35 -5.231 -3.376 10.899 266 HB VAL 35 HB VAL 35 -4.598 -3.489 13.323 267 1HG1 VAL 35 1HG1 VAL 35 -2.400 -4.585 12.912 268 2HG1 VAL 35 2HG1 VAL 35 -2.373 -3.871 11.300 269 3HG1 VAL 35 3HG1 VAL 35 -3.614 -5.051 11.720 270 1HG2 VAL 35 1HG2 VAL 35 -2.024 -2.259 13.138 271 2HG2 VAL 35 2HG2 VAL 35 -3.356 -1.835 14.212 272 3HG2 VAL 35 3HG2 VAL 35 -3.224 -1.070 12.629 273 H GLY 36 HN GLY 36 -7.261 -2.749 11.394 274 1HA GLY 36 2HA GLY 36 -9.033 -1.486 12.276 275 2HA GLY 36 1HA GLY 36 -7.854 -0.651 13.284 276 H LYS 37 HN LYS 37 -7.027 -0.526 9.968 277 HA LYS 37 HA LYS 37 -8.278 2.188 9.758 278 1HB LYS 37 2HB LYS 37 -5.516 1.240 8.979 279 2HB LYS 37 1HB LYS 37 -6.221 2.708 8.305 280 1HG LYS 37 2HG LYS 37 -5.830 3.870 10.198 281 2HG LYS 37 1HG LYS 37 -6.551 2.608 11.196 282 1HD LYS 37 2HD LYS 37 -4.220 1.397 10.478 283 2HD LYS 37 1HD LYS 37 -3.708 3.084 10.518 284 1HE LYS 37 2HE LYS 37 -5.377 2.541 12.804 285 2HE LYS 37 1HE LYS 37 -4.084 1.345 12.725 286 1HZ LYS 37 1HE LYS 37 -2.925 2.961 13.739 287 2HZ LYS 37 2HE LYS 37 -3.940 4.206 13.186 288 3HZ LYS 37 3HE LYS 37 -2.737 3.571 12.167 289 H ILE 38 HN ILE 38 -8.456 2.908 7.374 290 HA ILE 38 HA ILE 38 -9.718 0.718 5.881 291 HB ILE 38 HB ILE 38 -9.295 3.614 5.088 292 1HG1 ILE 38 2HG1 ILE 38 -11.742 2.320 6.325 293 2HG1 ILE 38 1HG1 ILE 38 -10.548 3.220 7.260 294 1HG2 ILE 38 1HG2 ILE 38 -10.044 1.552 3.483 295 2HG2 ILE 38 2HG2 ILE 38 -10.623 3.204 3.273 296 3HG2 ILE 38 3HG2 ILE 38 -11.612 2.027 4.137 297 1HD1 ILE 38 1HD1 ILE 38 -11.264 5.232 6.472 298 2HD1 ILE 38 2HD1 ILE 38 -12.742 4.354 6.104 299 3HD1 ILE 38 3HD1 ILE 38 -11.535 4.610 4.845 300 H MET 39 HN MET 39 -8.585 -0.565 4.523 301 HA MET 39 HA MET 39 -6.045 0.481 3.346 302 1HB MET 39 2HB MET 39 -5.853 -1.527 4.799 303 2HB MET 39 1HB MET 39 -6.958 -2.386 3.727 304 1HG MET 39 2HG MET 39 -5.093 -1.418 1.952 305 2HG MET 39 1HG MET 39 -4.101 -1.761 3.369 306 1HE MET 39 1HE MET 39 -5.211 -3.881 4.877 307 2HE MET 39 2HE MET 39 -3.567 -4.127 4.292 308 3HE MET 39 3HE MET 39 -4.746 -5.429 4.161 309 H VAL 40 HN VAL 40 -6.209 1.032 1.215 310 HA VAL 40 HA VAL 40 -8.393 -0.153 -0.414 311 HB VAL 40 HB VAL 40 -6.492 2.066 -1.202 312 1HG1 VAL 40 1HG1 VAL 40 -7.836 2.346 -3.026 313 2HG1 VAL 40 2HG1 VAL 40 -9.303 1.947 -2.132 314 3HG1 VAL 40 3HG1 VAL 40 -8.254 0.660 -2.724 315 1HG2 VAL 40 1HG2 VAL 40 -7.633 2.666 0.902 316 2HG2 VAL 40 2HG2 VAL 40 -9.189 2.253 0.182 317 3HG2 VAL 40 3HG2 VAL 40 -8.264 3.620 -0.440 318 H VAL 41 HN VAL 41 -7.924 -1.864 -1.695 319 HA VAL 41 HA VAL 41 -5.210 -2.018 -2.929 320 HB VAL 41 HB VAL 41 -5.461 -4.564 -2.692 321 1HG1 VAL 41 1HG1 VAL 41 -3.970 -2.961 -1.347 322 2HG1 VAL 41 2HG1 VAL 41 -4.303 -4.537 -0.629 323 3HG1 VAL 41 3HG1 VAL 41 -5.172 -3.108 -0.066 324 1HG2 VAL 41 1HG2 VAL 41 -7.651 -3.562 -0.878 325 2HG2 VAL 41 2HG2 VAL 41 -6.801 -5.059 -0.504 326 3HG2 VAL 41 3HG2 VAL 41 -7.685 -4.904 -2.020 327 H GLY 42 HN GLY 42 -5.257 -2.435 -5.104 328 1HA GLY 42 2HA GLY 42 -7.661 -2.333 -6.595 329 2HA GLY 42 1HA GLY 42 -6.116 -2.890 -7.234 330 H ARG 43 HN ARG 43 -8.954 -3.917 -7.531 331 HA ARG 43 HA ARG 43 -9.407 -6.329 -6.184 332 1HB ARG 43 2HB ARG 43 -10.999 -5.211 -7.742 333 2HB ARG 43 1HB ARG 43 -10.010 -5.753 -9.098 334 1HG ARG 43 2HG ARG 43 -10.795 -7.861 -7.164 335 2HG ARG 43 1HG ARG 43 -12.109 -7.174 -8.118 336 1HD ARG 43 2HD ARG 43 -9.529 -8.225 -9.316 337 2HD ARG 43 1HD ARG 43 -11.012 -9.167 -9.194 338 HE ARG 43 HE ARG 43 -11.457 -6.632 -10.522 339 1HH1 ARG 43 1HH2 ARG 43 -10.264 -9.868 -10.891 340 2HH1 ARG 43 2HH2 ARG 43 -10.592 -9.925 -12.589 341 1HH2 ARG 43 1HH1 ARG 43 -11.881 -6.719 -12.744 342 2HH2 ARG 43 2HH1 ARG 43 -11.500 -8.156 -13.631 343 H ARG 44 HN ARG 44 -6.890 -5.698 -8.524 344 HA ARG 44 HA ARG 44 -6.658 -8.566 -9.201 345 1HB ARG 44 2HB ARG 44 -5.570 -6.072 -10.235 346 2HB ARG 44 1HB ARG 44 -4.332 -7.318 -10.080 347 1HG ARG 44 2HG ARG 44 -6.941 -8.166 -11.233 348 2HG ARG 44 1HG ARG 44 -5.928 -7.134 -12.243 349 1HD ARG 44 2HD ARG 44 -4.443 -9.284 -10.901 350 2HD ARG 44 1HD ARG 44 -5.667 -9.869 -12.024 351 HE ARG 44 HE ARG 44 -4.560 -8.313 -13.729 352 1HH1 ARG 44 1HH1 ARG 44 -2.837 -9.582 -10.980 353 2HH1 ARG 44 2HH1 ARG 44 -1.296 -9.449 -11.749 354 1HH2 ARG 44 1HH2 ARG 44 -2.548 -8.154 -14.701 355 2HH2 ARG 44 2HH2 ARG 44 -1.130 -8.649 -13.838 356 H THR 45 HN THR 45 -4.849 -6.128 -7.339 357 HA THR 45 HA THR 45 -2.855 -8.018 -6.404 358 HB THR 45 HB THR 45 -3.743 -5.519 -4.942 359 HG1 THR 45 HG1 THR 45 -2.200 -5.828 -7.281 360 1HG2 THR 45 1HG2 THR 45 -0.923 -6.474 -5.244 361 2HG2 THR 45 2HG2 THR 45 -1.986 -7.330 -4.127 362 3HG2 THR 45 3HG2 THR 45 -1.674 -5.609 -3.904 363 H TYR 46 HN TYR 46 -5.983 -6.847 -5.247 364 HA TYR 46 HA TYR 46 -5.963 -8.188 -2.709 365 1HB TYR 46 2HB TYR 46 -7.598 -6.402 -3.335 366 2HB TYR 46 1HB TYR 46 -8.353 -7.529 -4.462 367 HD1 TYR 46 HD1 TYR 46 -9.635 -9.449 -3.667 368 HD2 TYR 46 HD2 TYR 46 -7.782 -6.725 -0.912 369 HE1 TYR 46 HE1 TYR 46 -10.974 -10.410 -1.815 370 HE2 TYR 46 HE2 TYR 46 -9.121 -7.686 0.940 371 HH TYR 46 HH TYR 46 -11.792 -9.700 0.422 372 H GLU 47 HN GLU 47 -7.005 -9.154 -5.962 373 HA GLU 47 HA GLU 47 -8.023 -11.739 -5.166 374 1HB GLU 47 2HB GLU 47 -7.323 -10.392 -7.737 375 2HB GLU 47 1HB GLU 47 -7.402 -12.154 -7.744 376 1HG GLU 47 HG2 GLU 47 -9.665 -11.500 -6.327 377 2HG GLU 47 HG1 GLU 47 -9.575 -10.180 -7.494 378 H SER 48 HN SER 48 -4.882 -10.452 -5.410 379 HA SER 48 HA SER 48 -3.649 -13.136 -5.788 380 1HB SER 48 2HB SER 48 -2.314 -10.419 -5.605 381 2HB SER 48 1HB SER 48 -1.541 -11.936 -6.058 382 HG SER 48 HG SER 48 -2.192 -11.538 -8.006 383 H PHE 49 HN PHE 49 -4.495 -10.861 -3.353 384 HA PHE 49 HA PHE 49 -2.573 -11.070 -1.369 385 1HB PHE 49 2HB PHE 49 -5.453 -10.612 -1.445 386 2HB PHE 49 1HB PHE 49 -4.960 -11.425 0.038 387 HD1 PHE 49 HD1 PHE 49 -4.138 -8.509 -2.149 388 HD2 PHE 49 HD2 PHE 49 -3.937 -10.220 1.782 389 HE1 PHE 49 HE1 PHE 49 -3.275 -6.363 -1.258 390 HE2 PHE 49 HE2 PHE 49 -3.070 -8.080 2.673 391 HZ PHE 49 HZ PHE 49 -2.739 -6.150 1.149 392 HA PRO 50 HA PRO 50 -2.467 -15.293 0.023 393 1HB PRO 50 2HB PRO 50 -1.694 -14.776 2.652 394 2HB PRO 50 1HB PRO 50 -0.608 -14.858 1.257 395 1HG PRO 50 2HG PRO 50 -1.287 -12.566 2.831 396 2HG PRO 50 1HG PRO 50 -0.199 -12.655 1.438 397 1HD PRO 50 2HD PRO 50 -2.965 -11.689 1.568 398 2HD PRO 50 1HD PRO 50 -1.738 -11.410 0.322 399 H LYS 51 HN LYS 51 -3.680 -13.348 2.802 400 HA LYS 51 HA LYS 51 -5.962 -15.279 2.971 401 1HB LYS 51 2HB LYS 51 -4.325 -14.082 5.221 402 2HB LYS 51 1HB LYS 51 -5.832 -14.968 5.462 403 1HG LYS 51 2HG LYS 51 -4.550 -16.747 3.906 404 2HG LYS 51 1HG LYS 51 -3.150 -15.975 4.651 405 1HD LYS 51 2HD LYS 51 -3.497 -17.193 6.510 406 2HD LYS 51 1HD LYS 51 -5.052 -16.390 6.721 407 1HE LYS 51 2HE LYS 51 -6.234 -18.137 5.812 408 2HE LYS 51 1HE LYS 51 -4.938 -18.570 4.698 409 1HZ LYS 51 1HE LYS 51 -4.866 -20.277 6.213 410 2HZ LYS 51 2HE LYS 51 -5.267 -19.284 7.532 411 3HZ LYS 51 3HE LYS 51 -3.708 -19.220 6.859 412 H ARG 52 HN ARG 52 -7.728 -14.116 2.379 413 HA ARG 52 HA ARG 52 -8.098 -11.431 3.651 414 1HB ARG 52 2HB ARG 52 -9.344 -12.107 0.997 415 2HB ARG 52 1HB ARG 52 -8.975 -10.524 1.676 416 1HG ARG 52 2HG ARG 52 -7.129 -10.572 0.367 417 2HG ARG 52 1HG ARG 52 -6.482 -11.719 1.540 418 1HD ARG 52 2HD ARG 52 -6.296 -12.692 -0.684 419 2HD ARG 52 1HD ARG 52 -7.525 -13.577 0.220 420 HE ARG 52 HE ARG 52 -8.940 -11.592 -1.116 421 1HH1 ARG 52 1HH1 ARG 52 -6.748 -14.136 -1.984 422 2HH1 ARG 52 2HH1 ARG 52 -7.456 -14.374 -3.545 423 1HH2 ARG 52 1HH2 ARG 52 -9.853 -11.906 -3.147 424 2HH2 ARG 52 2HH2 ARG 52 -9.205 -13.118 -4.202 425 HA PRO 53 HA PRO 53 -9.577 -9.992 3.851 426 1HB PRO 53 2HB PRO 53 -11.328 -9.213 5.865 427 2HB PRO 53 1HB PRO 53 -11.645 -9.072 4.130 428 1HG PRO 53 2HG PRO 53 -12.934 -10.786 6.041 429 2HG PRO 53 1HG PRO 53 -13.289 -10.596 4.317 430 1HD PRO 53 2HD PRO 53 -11.797 -12.726 5.670 431 2HD PRO 53 1HD PRO 53 -12.477 -12.698 4.034 432 H LEU 54 HN LEU 54 -8.875 -8.640 5.857 433 HA LEU 54 HA LEU 54 -7.269 -10.385 7.575 434 1HB LEU 54 2HB LEU 54 -7.573 -7.373 7.441 435 2HB LEU 54 1HB LEU 54 -6.447 -8.202 8.515 436 HG LEU 54 HG LEU 54 -6.306 -9.093 5.710 437 1HD1 LEU 54 1HD1 LEU 54 -5.883 -6.225 6.493 438 2HD1 LEU 54 2HD1 LEU 54 -6.582 -6.882 5.012 439 3HD1 LEU 54 3HD1 LEU 54 -4.839 -6.954 5.274 440 1HD2 LEU 54 1HD2 LEU 54 -3.812 -8.363 6.412 441 2HD2 LEU 54 2HD2 LEU 54 -4.526 -9.888 6.936 442 3HD2 LEU 54 3HD2 LEU 54 -4.520 -8.497 8.022 443 HA PRO 55 HA PRO 55 -9.920 -10.582 11.108 444 1HB PRO 55 2HB PRO 55 -7.850 -10.509 13.038 445 2HB PRO 55 1HB PRO 55 -8.595 -11.945 12.326 446 1HG PRO 55 2HG PRO 55 -5.955 -10.908 11.901 447 2HG PRO 55 1HG PRO 55 -6.677 -12.387 11.254 448 1HD PRO 55 2HD PRO 55 -6.130 -9.926 9.873 449 2HD PRO 55 1HD PRO 55 -6.800 -11.426 9.219 450 H GLU 56 HN GLU 56 -11.028 -9.011 12.166 451 HA GLU 56 HA GLU 56 -11.562 -6.850 12.945 452 1HB GLU 56 2HB GLU 56 -9.098 -7.748 14.372 453 2HB GLU 56 1HB GLU 56 -9.604 -6.073 14.590 454 1HG GLU 56 HG2 GLU 56 -11.676 -8.222 14.812 455 2HG GLU 56 HG1 GLU 56 -10.560 -7.990 16.159 456 H ARG 57 HN ARG 57 -10.444 -6.733 10.379 457 HA ARG 57 HA ARG 57 -8.999 -4.128 10.553 458 1HB ARG 57 2HB ARG 57 -8.136 -6.632 9.191 459 2HB ARG 57 1HB ARG 57 -7.864 -5.119 8.328 460 1HG ARG 57 2HG ARG 57 -6.111 -4.635 9.651 461 2HG ARG 57 1HG ARG 57 -7.123 -4.771 11.089 462 1HD ARG 57 2HD ARG 57 -6.742 -7.416 10.319 463 2HD ARG 57 1HD ARG 57 -5.178 -6.666 10.002 464 HE ARG 57 HE ARG 57 -6.047 -5.819 12.573 465 1HH1 ARG 57 1HH2 ARG 57 -5.045 -8.673 10.876 466 2HH1 ARG 57 2HH2 ARG 57 -4.419 -9.441 12.295 467 1HH2 ARG 57 1HH1 ARG 57 -5.223 -6.820 14.410 468 2HH2 ARG 57 2HH1 ARG 57 -4.518 -8.397 14.286 469 H THR 58 HN THR 58 -9.926 -2.605 9.280 470 HA THR 58 HA THR 58 -12.108 -3.433 7.466 471 HB THR 58 HB THR 58 -11.224 -0.592 7.975 472 HG1 THR 58 HG1 THR 58 -11.794 -0.817 9.963 473 1HG2 THR 58 1HG2 THR 58 -13.157 -0.065 6.937 474 2HG2 THR 58 2HG2 THR 58 -14.070 -1.227 7.899 475 3HG2 THR 58 3HG2 THR 58 -13.237 -1.754 6.436 476 H ASN 59 HN ASN 59 -11.599 -3.837 5.375 477 HA ASN 59 HA ASN 59 -9.419 -2.211 4.130 478 1HB ASN 59 2HB ASN 59 -10.108 -5.088 3.463 479 2HB ASN 59 1HB ASN 59 -8.754 -4.149 2.831 480 1HD2 ASN 59 1HD2 ASN 59 -9.966 -5.845 5.698 481 2HD2 ASN 59 2HD2 ASN 59 -8.502 -5.806 6.556 482 H VAL 60 HN VAL 60 -9.794 -1.624 1.894 483 HA VAL 60 HA VAL 60 -12.605 -2.066 0.993 484 HB VAL 60 HB VAL 60 -10.890 0.408 0.599 485 1HG1 VAL 60 1HG1 VAL 60 -12.410 1.078 -0.922 486 2HG1 VAL 60 2HG1 VAL 60 -13.747 0.687 0.160 487 3HG1 VAL 60 3HG1 VAL 60 -13.068 -0.558 -0.889 488 1HG2 VAL 60 1HG2 VAL 60 -11.878 -0.135 2.950 489 2HG2 VAL 60 2HG2 VAL 60 -13.433 0.244 2.209 490 3HG2 VAL 60 3HG2 VAL 60 -12.166 1.467 2.271 491 H VAL 61 HN VAL 61 -12.784 -2.866 -1.060 492 HA VAL 61 HA VAL 61 -10.254 -3.215 -2.591 493 HB VAL 61 HB VAL 61 -12.941 -4.540 -3.061 494 1HG1 VAL 61 1HG1 VAL 61 -11.350 -4.520 -4.968 495 2HG1 VAL 61 2HG1 VAL 61 -11.605 -6.149 -4.343 496 3HG1 VAL 61 3HG1 VAL 61 -10.131 -5.269 -3.939 497 1HG2 VAL 61 1HG2 VAL 61 -10.660 -6.013 -1.831 498 2HG2 VAL 61 2HG2 VAL 61 -12.393 -6.216 -1.581 499 3HG2 VAL 61 3HG2 VAL 61 -11.538 -4.895 -0.787 500 H LEU 62 HN LEU 62 -10.240 -2.727 -4.875 501 HA LEU 62 HA LEU 62 -12.358 -0.763 -5.673 502 1HB LEU 62 2HB LEU 62 -9.472 -0.520 -5.610 503 2HB LEU 62 1HB LEU 62 -10.059 -0.329 -7.262 504 HG LEU 62 HG LEU 62 -11.799 1.282 -6.321 505 1HD1 LEU 62 1HD1 LEU 62 -10.077 1.877 -4.014 506 2HD1 LEU 62 2HD1 LEU 62 -10.897 0.320 -3.896 507 3HD1 LEU 62 3HD1 LEU 62 -11.836 1.798 -4.114 508 1HD2 LEU 62 1HD2 LEU 62 -9.257 2.587 -5.649 509 2HD2 LEU 62 2HD2 LEU 62 -10.394 2.950 -6.947 510 3HD2 LEU 62 3HD2 LEU 62 -9.184 1.687 -7.163 511 H THR 63 HN THR 63 -13.602 -1.558 -7.302 512 HA THR 63 HA THR 63 -12.305 -3.124 -9.462 513 HB THR 63 HB THR 63 -13.001 -4.928 -8.071 514 HG1 THR 63 HG1 THR 63 -13.914 -4.779 -10.324 515 1HG2 THR 63 1HG2 THR 63 -15.048 -3.009 -7.269 516 2HG2 THR 63 2HG2 THR 63 -14.399 -4.387 -6.384 517 3HG2 THR 63 3HG2 THR 63 -15.714 -4.619 -7.537 518 H HIS 64 HN HIS 64 -13.639 -3.195 -11.405 519 HA HIS 64 HA HIS 64 -15.578 -0.944 -11.500 520 1HB HIS 64 2HB HIS 64 -13.816 -2.318 -13.486 521 2HB HIS 64 1HB HIS 64 -15.323 -1.615 -14.075 522 HD1 HIS 64 HD1 HIS 64 -15.540 0.950 -14.052 523 HD2 HIS 64 HD2 HIS 64 -11.936 -0.408 -12.457 524 HE1 HIS 64 HE1 HIS 64 -14.055 2.986 -13.801 525 H GLN 65 HN GLN 65 -15.874 -4.036 -10.704 526 HA GLN 65 HA GLN 65 -17.890 -4.927 -12.620 527 1HB GLN 65 2HB GLN 65 -16.829 -5.985 -10.000 528 2HB GLN 65 1HB GLN 65 -18.233 -6.717 -10.778 529 1HG GLN 65 2HG GLN 65 -16.976 -7.685 -12.399 530 2HG GLN 65 1HG GLN 65 -15.984 -6.242 -12.615 531 1HE2 GLN 65 1HE2 GLN 65 -13.919 -6.231 -11.633 532 2HE2 GLN 65 2HE2 GLN 65 -13.364 -7.449 -10.592 533 H GLU 66 HN GLU 66 -20.024 -5.801 -11.408 534 HA GLU 66 HA GLU 66 -21.081 -3.496 -9.816 535 1HB GLU 66 2HB GLU 66 -22.104 -4.866 -12.224 536 2HB GLU 66 1HB GLU 66 -23.307 -4.614 -10.960 537 1HG GLU 66 HG2 GLU 66 -21.742 -2.223 -11.200 538 2HG GLU 66 HG1 GLU 66 -22.280 -2.700 -12.810 539 H ASP 67 HN ASP 67 -20.903 -6.984 -10.176 540 HA ASP 67 HA ASP 67 -22.618 -7.280 -7.749 541 1HB ASP 67 2HB ASP 67 -21.940 -9.154 -10.014 542 2HB ASP 67 1HB ASP 67 -22.609 -9.749 -8.494 543 H TYR 68 HN TYR 68 -19.828 -6.466 -7.533 544 HA TYR 68 HA TYR 68 -18.116 -8.685 -6.938 545 1HB TYR 68 2HB TYR 68 -17.502 -6.179 -7.160 546 2HB TYR 68 1HB TYR 68 -18.003 -6.045 -5.475 547 HD1 TYR 68 HD1 TYR 68 -15.747 -7.963 -7.753 548 HD2 TYR 68 HD2 TYR 68 -16.546 -6.689 -3.730 549 HE1 TYR 68 HE1 TYR 68 -13.559 -8.875 -7.030 550 HE2 TYR 68 HE2 TYR 68 -14.357 -7.601 -3.007 551 HH TYR 68 HH TYR 68 -12.092 -8.087 -4.181 552 H GLN 69 HN GLN 69 -18.607 -10.234 -5.437 553 HA GLN 69 HA GLN 69 -20.203 -9.438 -3.051 554 1HB GLN 69 2HB GLN 69 -19.487 -12.228 -3.998 555 2HB GLN 69 1HB GLN 69 -20.673 -11.799 -2.765 556 1HG GLN 69 2HG GLN 69 -20.883 -10.790 -5.602 557 2HG GLN 69 1HG GLN 69 -21.595 -12.322 -5.101 558 1HE2 GLN 69 1HE2 GLN 69 -22.908 -9.668 -5.899 559 2HE2 GLN 69 2HE2 GLN 69 -23.947 -9.311 -4.605 560 H ALA 70 HN ALA 70 -18.793 -8.705 -1.493 561 HA ALA 70 HA ALA 70 -16.621 -10.587 -0.686 562 1HB ALA 70 1HB ALA 70 -16.408 -7.749 -1.483 563 2HB ALA 70 2HB ALA 70 -15.176 -9.010 -1.474 564 3HB ALA 70 3HB ALA 70 -15.578 -8.159 0.018 565 H GLN 71 HN GLN 71 -18.057 -11.311 0.995 566 HA GLN 71 HA GLN 71 -19.234 -9.441 2.881 567 1HB GLN 71 2HB GLN 71 -18.837 -12.439 2.887 568 2HB GLN 71 1HB GLN 71 -19.567 -11.585 4.247 569 1HG GLN 71 2HG GLN 71 -21.494 -11.124 3.101 570 2HG GLN 71 1HG GLN 71 -20.654 -10.929 1.562 571 1HE2 GLN 71 1HE2 GLN 71 -19.632 -13.162 0.762 572 2HE2 GLN 71 2HE2 GLN 71 -20.651 -14.512 0.907 573 H GLY 72 HN GLY 72 -18.128 -8.406 4.459 574 1HA GLY 72 2HA GLY 72 -16.753 -8.639 6.505 575 2HA GLY 72 1HA GLY 72 -15.737 -9.774 5.617 576 H ALA 73 HN ALA 73 -15.618 -8.178 3.159 577 HA ALA 73 HA ALA 73 -13.827 -6.019 4.177 578 1HB ALA 73 1HB ALA 73 -13.571 -8.043 2.080 579 2HB ALA 73 2HB ALA 73 -12.321 -7.083 2.869 580 3HB ALA 73 3HB ALA 73 -13.207 -6.419 1.497 581 H VAL 74 HN VAL 74 -14.075 -3.969 3.421 582 HA VAL 74 HA VAL 74 -16.608 -3.095 2.428 583 HB VAL 74 HB VAL 74 -13.959 -1.636 2.189 584 1HG1 VAL 74 1HG1 VAL 74 -16.839 -0.885 1.875 585 2HG1 VAL 74 2HG1 VAL 74 -15.433 -0.334 0.962 586 3HG1 VAL 74 3HG1 VAL 74 -15.739 0.300 2.580 587 1HG2 VAL 74 1HG2 VAL 74 -16.002 -1.503 4.423 588 2HG2 VAL 74 2HG2 VAL 74 -14.428 -0.710 4.372 589 3HG2 VAL 74 3HG2 VAL 74 -14.527 -2.465 4.508 590 H VAL 75 HN VAL 75 -17.090 -2.157 0.265 591 HA VAL 75 HA VAL 75 -15.284 -3.036 -1.924 592 HB VAL 75 HB VAL 75 -18.227 -3.779 -1.763 593 1HG1 VAL 75 1HG1 VAL 75 -17.850 -4.906 -3.893 594 2HG1 VAL 75 2HG1 VAL 75 -16.152 -4.432 -3.875 595 3HG1 VAL 75 3HG1 VAL 75 -17.408 -3.206 -4.049 596 1HG2 VAL 75 1HG2 VAL 75 -17.551 -6.021 -1.451 597 2HG2 VAL 75 2HG2 VAL 75 -16.484 -5.119 -0.381 598 3HG2 VAL 75 3HG2 VAL 75 -15.892 -5.683 -1.942 599 H VAL 76 HN VAL 76 -15.207 -1.452 -3.496 600 HA VAL 76 HA VAL 76 -17.560 0.298 -3.892 601 HB VAL 76 HB VAL 76 -16.223 2.355 -3.672 602 1HG1 VAL 76 1HG1 VAL 76 -15.999 2.335 -1.229 603 2HG1 VAL 76 2HG1 VAL 76 -16.019 0.572 -1.226 604 3HG1 VAL 76 3HG1 VAL 76 -17.458 1.469 -1.710 605 1HG2 VAL 76 1HG2 VAL 76 -13.996 1.141 -2.225 606 2HG2 VAL 76 2HG2 VAL 76 -13.965 2.333 -3.520 607 3HG2 VAL 76 3HG2 VAL 76 -14.048 0.614 -3.905 608 H HIS 77 HN HIS 77 -17.184 1.773 -5.819 609 HA HIS 77 HA HIS 77 -15.169 0.685 -7.726 610 1HB HIS 77 2HB HIS 77 -17.967 1.308 -8.654 611 2HB HIS 77 1HB HIS 77 -16.746 0.300 -9.428 612 HD1 HIS 77 HD1 HIS 77 -16.288 -2.067 -8.299 613 HD2 HIS 77 HD2 HIS 77 -19.644 -0.052 -6.871 614 HE1 HIS 77 HE1 HIS 77 -17.656 -3.773 -7.020 615 H ASP 78 HN ASP 78 -15.331 3.184 -6.152 616 HA ASP 78 HA ASP 78 -14.790 5.040 -8.315 617 1HB ASP 78 2HB ASP 78 -17.446 4.876 -7.734 618 2HB ASP 78 1HB ASP 78 -16.944 6.132 -6.601 619 H VAL 79 HN VAL 79 -12.930 5.810 -7.430 620 HA VAL 79 HA VAL 79 -12.097 5.934 -4.807 621 HB VAL 79 HB VAL 79 -11.610 8.004 -6.970 622 1HG1 VAL 79 1HG1 VAL 79 -10.644 9.180 -5.289 623 2HG1 VAL 79 2HG1 VAL 79 -9.386 7.946 -5.336 624 3HG1 VAL 79 3HG1 VAL 79 -10.711 7.812 -4.178 625 1HG2 VAL 79 1HG2 VAL 79 -10.491 5.328 -6.291 626 2HG2 VAL 79 2HG2 VAL 79 -9.335 6.568 -6.783 627 3HG2 VAL 79 3HG2 VAL 79 -10.654 6.113 -7.862 628 H ALA 80 HN ALA 80 -14.343 8.160 -6.379 629 HA ALA 80 HA ALA 80 -14.371 10.216 -4.412 630 1HB ALA 80 1HB ALA 80 -15.521 10.241 -6.683 631 2HB ALA 80 2HB ALA 80 -16.481 10.877 -5.347 632 3HB ALA 80 3HB ALA 80 -16.789 9.252 -5.958 633 H ALA 81 HN ALA 81 -16.125 7.140 -4.593 634 HA ALA 81 HA ALA 81 -17.781 7.574 -2.289 635 1HB ALA 81 1HB ALA 81 -16.885 4.806 -2.901 636 2HB ALA 81 2HB ALA 81 -17.711 5.667 -4.200 637 3HB ALA 81 3HB ALA 81 -18.515 5.431 -2.647 638 H VAL 82 HN VAL 82 -14.617 5.945 -2.683 639 HA VAL 82 HA VAL 82 -14.294 5.111 0.015 640 HB VAL 82 HB VAL 82 -12.084 6.122 -1.800 641 1HG1 VAL 82 1HG1 VAL 82 -11.833 5.436 0.760 642 2HG1 VAL 82 2HG1 VAL 82 -10.620 4.968 -0.432 643 3HG1 VAL 82 3HG1 VAL 82 -11.847 3.808 0.080 644 1HG2 VAL 82 1HG2 VAL 82 -13.869 4.234 -2.571 645 2HG2 VAL 82 2HG2 VAL 82 -12.741 3.226 -1.667 646 3HG2 VAL 82 3HG2 VAL 82 -12.169 4.189 -3.028 647 H PHE 83 HN PHE 83 -12.937 8.008 -1.525 648 HA PHE 83 HA PHE 83 -11.876 9.331 0.680 649 1HB PHE 83 2HB PHE 83 -13.193 10.296 -1.830 650 2HB PHE 83 1HB PHE 83 -12.807 11.476 -0.579 651 HD1 PHE 83 HD1 PHE 83 -11.576 10.035 -3.475 652 HD2 PHE 83 HD2 PHE 83 -10.344 10.975 0.530 653 HE1 PHE 83 HE1 PHE 83 -9.207 10.046 -4.206 654 HE2 PHE 83 HE2 PHE 83 -7.977 10.987 -0.204 655 HZ PHE 83 HZ PHE 83 -7.408 10.520 -2.569 656 H ALA 84 HN ALA 84 -15.273 8.960 -0.145 657 HA ALA 84 HA ALA 84 -16.220 10.940 1.763 658 1HB ALA 84 1HB ALA 84 -17.690 10.497 -0.041 659 2HB ALA 84 2HB ALA 84 -18.447 9.718 1.348 660 3HB ALA 84 3HB ALA 84 -17.556 8.752 0.171 661 H TYR 85 HN TYR 85 -15.424 7.512 1.937 662 HA TYR 85 HA TYR 85 -16.914 7.016 4.374 663 1HB TYR 85 2HB TYR 85 -15.943 5.328 2.617 664 2HB TYR 85 1HB TYR 85 -14.467 5.462 3.571 665 HD1 TYR 85 HD1 TYR 85 -18.162 4.974 4.059 666 HD2 TYR 85 HD2 TYR 85 -14.190 4.030 5.379 667 HE1 TYR 85 HE1 TYR 85 -19.093 3.401 5.737 668 HE2 TYR 85 HE2 TYR 85 -15.115 2.460 7.059 669 HH TYR 85 HH TYR 85 -17.128 1.992 8.224 670 H ALA 86 HN ALA 86 -13.436 7.535 3.698 671 HA ALA 86 HA ALA 86 -12.514 7.518 6.365 672 1HB ALA 86 1HB ALA 86 -10.883 9.379 5.270 673 2HB ALA 86 2HB ALA 86 -11.573 8.687 3.802 674 3HB ALA 86 3HB ALA 86 -10.720 7.653 4.947 675 H LYS 87 HN LYS 87 -13.905 10.186 4.470 676 HA LYS 87 HA LYS 87 -13.505 12.224 6.448 677 1HB LYS 87 2HB LYS 87 -14.665 12.043 3.876 678 2HB LYS 87 1HB LYS 87 -15.942 12.635 4.939 679 1HG LYS 87 2HG LYS 87 -14.877 14.622 4.334 680 2HG LYS 87 1HG LYS 87 -14.064 14.231 5.849 681 1HD LYS 87 2HD LYS 87 -12.078 13.878 4.820 682 2HD LYS 87 1HD LYS 87 -12.823 12.950 3.518 683 1HE LYS 87 2HE LYS 87 -12.002 14.863 2.415 684 2HE LYS 87 1HE LYS 87 -13.703 15.245 2.678 685 1HZ LYS 87 1HE LYS 87 -12.813 17.112 3.542 686 2HZ LYS 87 2HE LYS 87 -11.327 16.380 3.918 687 3HZ LYS 87 3HE LYS 87 -12.669 16.157 4.936 688 H GLN 88 HN GLN 88 -15.908 9.701 6.072 689 HA GLN 88 HA GLN 88 -17.677 10.890 8.102 690 1HB GLN 88 2HB GLN 88 -17.898 8.867 6.061 691 2HB GLN 88 1HB GLN 88 -18.422 8.203 7.607 692 1HG GLN 88 2HG GLN 88 -20.383 9.274 7.326 693 2HG GLN 88 1HG GLN 88 -19.516 10.798 7.505 694 1HE2 GLN 88 1HE2 GLN 88 -18.265 11.386 5.286 695 2HE2 GLN 88 2HE2 GLN 88 -19.214 11.227 3.888 696 H HIS 89 HN HIS 89 -15.085 8.505 8.019 697 HA HIS 89 HA HIS 89 -15.857 7.482 10.683 698 1HB HIS 89 2HB HIS 89 -14.021 6.647 8.510 699 2HB HIS 89 1HB HIS 89 -13.487 6.279 10.150 700 HD1 HIS 89 HD1 HIS 89 -14.497 4.252 11.214 701 HD2 HIS 89 HD2 HIS 89 -16.775 5.603 7.996 702 HE1 HIS 89 HE1 HIS 89 -16.346 2.554 10.883 703 HA PRO 90 HA PRO 90 -13.001 10.522 12.472 704 1HB PRO 90 2HB PRO 90 -14.122 10.289 14.997 705 2HB PRO 90 1HB PRO 90 -14.673 11.410 13.744 706 1HG PRO 90 2HG PRO 90 -16.029 9.102 14.804 707 2HG PRO 90 1HG PRO 90 -16.619 10.290 13.634 708 1HD PRO 90 2HD PRO 90 -15.598 7.593 13.155 709 2HD PRO 90 1HD PRO 90 -16.478 8.669 12.056 710 H ASP 91 HN ASP 91 -13.160 7.229 12.762 711 HA ASP 91 HA ASP 91 -10.832 7.193 14.630 712 1HB ASP 91 2HB ASP 91 -13.394 5.673 14.831 713 2HB ASP 91 1HB ASP 91 -11.906 4.824 15.255 714 H GLN 92 HN GLN 92 -11.764 6.702 11.588 715 HA GLN 92 HA GLN 92 -9.690 4.644 11.114 716 1HB GLN 92 2HB GLN 92 -12.416 3.984 11.081 717 2HB GLN 92 1HB GLN 92 -12.013 4.238 9.384 718 1HG GLN 92 2HG GLN 92 -10.852 2.310 9.294 719 2HG GLN 92 1HG GLN 92 -9.924 2.738 10.730 720 1HE2 GLN 92 1HE2 GLN 92 -13.246 1.605 9.871 721 2HE2 GLN 92 2HE2 GLN 92 -13.412 0.604 11.231 722 H GLU 93 HN GLU 93 -8.323 5.849 9.737 723 HA GLU 93 HA GLU 93 -9.576 7.852 7.990 724 1HB GLU 93 2HB GLU 93 -6.723 7.169 8.716 725 2HB GLU 93 1HB GLU 93 -7.117 8.342 7.461 726 1HG GLU 93 HG2 GLU 93 -7.622 9.924 8.983 727 2HG GLU 93 HG1 GLU 93 -8.685 8.823 9.860 728 H LEU 94 HN LEU 94 -7.780 7.844 5.889 729 HA LEU 94 HA LEU 94 -8.584 5.358 4.455 730 1HB LEU 94 2HB LEU 94 -8.985 7.959 3.740 731 2HB LEU 94 1HB LEU 94 -7.462 7.624 2.918 732 HG LEU 94 HG LEU 94 -8.540 5.524 1.994 733 1HD1 LEU 94 1HD1 LEU 94 -10.469 6.000 3.867 734 2HD1 LEU 94 2HD1 LEU 94 -10.718 5.005 2.433 735 3HD1 LEU 94 3HD1 LEU 94 -11.223 6.694 2.432 736 1HD2 LEU 94 1HD2 LEU 94 -9.578 6.698 0.188 737 2HD2 LEU 94 2HD2 LEU 94 -8.331 7.783 0.805 738 3HD2 LEU 94 3HD2 LEU 94 -10.021 8.050 1.231 739 H VAL 95 HN VAL 95 -6.978 3.882 4.237 740 HA VAL 95 HA VAL 95 -4.181 4.910 3.953 741 HB VAL 95 HB VAL 95 -5.025 2.222 5.084 742 1HG1 VAL 95 1HG1 VAL 95 -2.493 3.394 4.210 743 2HG1 VAL 95 2HG1 VAL 95 -2.871 1.720 4.616 744 3HG1 VAL 95 3HG1 VAL 95 -2.436 2.859 5.889 745 1HG2 VAL 95 1HG2 VAL 95 -4.348 4.865 6.358 746 2HG2 VAL 95 2HG2 VAL 95 -3.991 3.359 7.203 747 3HG2 VAL 95 3HG2 VAL 95 -5.652 3.748 6.757 748 H ILE 96 HN ILE 96 -3.289 4.456 2.006 749 HA ILE 96 HA ILE 96 -4.781 2.708 0.162 750 HB ILE 96 HB ILE 96 -2.244 4.256 -0.414 751 1HG1 ILE 96 2HG1 ILE 96 -3.911 5.799 0.528 752 2HG1 ILE 96 1HG1 ILE 96 -3.756 6.067 -1.207 753 1HG2 ILE 96 1HG2 ILE 96 -2.574 3.615 -2.554 754 2HG2 ILE 96 2HG2 ILE 96 -4.283 4.037 -2.489 755 3HG2 ILE 96 3HG2 ILE 96 -3.744 2.456 -1.932 756 1HD1 ILE 96 1HD1 ILE 96 -6.129 6.013 -0.528 757 2HD1 ILE 96 2HD1 ILE 96 -5.902 4.390 0.123 758 3HD1 ILE 96 3HD1 ILE 96 -5.746 4.674 -1.610 759 H ALA 97 HN ALA 97 -3.847 0.897 -0.887 760 HA ALA 97 HA ALA 97 -1.315 -0.128 0.308 761 1HB ALA 97 1HB ALA 97 -2.538 -2.447 -0.065 762 2HB ALA 97 2HB ALA 97 -3.992 -1.461 0.097 763 3HB ALA 97 3HB ALA 97 -2.816 -1.520 1.409 764 H GLY 98 HN GLY 98 -2.800 0.913 -2.416 765 1HA GLY 98 2HA GLY 98 -1.769 0.875 -4.569 766 2HA GLY 98 1HA GLY 98 -0.934 -0.609 -4.122 767 H GLY 99 HN GLY 99 -3.274 -2.082 -6.392 768 1HA GLY 99 2HA GLY 99 -0.522 -1.666 -5.617 769 2HA GLY 99 1HA GLY 99 -1.073 -2.202 -7.194 770 H ALA 100 HN ALA 100 0.163 -0.869 -8.475 771 HA ALA 100 HA ALA 100 0.722 1.891 -7.962 772 1HB ALA 100 1HB ALA 100 0.587 1.109 -10.801 773 2HB ALA 100 2HB ALA 100 1.579 0.044 -9.805 774 3HB ALA 100 3HB ALA 100 1.938 1.769 -9.878 775 H GLN 101 HN GLN 101 -1.907 0.278 -9.677 776 HA GLN 101 HA GLN 101 -3.020 2.535 -10.971 777 1HB GLN 101 2HB GLN 101 -3.799 -0.161 -10.453 778 2HB GLN 101 1HB GLN 101 -5.150 0.879 -10.001 779 1HG GLN 101 2HG GLN 101 -5.531 0.541 -12.288 780 2HG GLN 101 1HG GLN 101 -4.657 2.074 -12.277 781 1HE2 GLN 101 1HE2 GLN 101 -3.921 -1.464 -12.406 782 2HE2 GLN 101 2HE2 GLN 101 -2.633 -1.301 -13.499 783 H ILE 102 HN ILE 102 -3.562 1.339 -7.613 784 HA ILE 102 HA ILE 102 -5.487 3.427 -7.059 785 HB ILE 102 HB ILE 102 -3.892 1.834 -5.039 786 1HG1 ILE 102 2HG1 ILE 102 -4.859 0.255 -6.641 787 2HG1 ILE 102 1HG1 ILE 102 -5.784 0.201 -5.142 788 1HG2 ILE 102 1HG2 ILE 102 -6.673 3.044 -4.980 789 2HG2 ILE 102 2HG2 ILE 102 -5.251 3.719 -4.186 790 3HG2 ILE 102 3HG2 ILE 102 -5.901 2.166 -3.660 791 1HD1 ILE 102 1HD1 ILE 102 -7.431 0.290 -6.843 792 2HD1 ILE 102 2HD1 ILE 102 -6.540 1.509 -7.754 793 3HD1 ILE 102 3HD1 ILE 102 -7.332 1.945 -6.240 794 H PHE 103 HN PHE 103 -1.976 3.225 -6.898 795 HA PHE 103 HA PHE 103 -1.703 5.480 -5.083 796 1HB PHE 103 2HB PHE 103 0.254 4.186 -7.008 797 2HB PHE 103 1HB PHE 103 0.684 5.454 -5.863 798 HD1 PHE 103 HD1 PHE 103 1.485 2.340 -6.166 799 HD2 PHE 103 HD2 PHE 103 -1.048 4.603 -3.533 800 HE1 PHE 103 HE1 PHE 103 1.791 0.629 -4.397 801 HE2 PHE 103 HE2 PHE 103 -0.744 2.890 -1.769 802 HZ PHE 103 HZ PHE 103 0.675 0.904 -2.199 803 H THR 104 HN THR 104 -2.304 5.095 -8.471 804 HA THR 104 HA THR 104 -1.281 7.715 -9.246 805 HB THR 104 HB THR 104 -3.309 6.127 -10.809 806 HG1 THR 104 HG1 THR 104 -0.566 5.651 -11.081 807 1HG2 THR 104 1HG2 THR 104 -2.789 7.637 -12.387 808 2HG2 THR 104 2HG2 THR 104 -1.098 7.140 -12.312 809 3HG2 THR 104 3HG2 THR 104 -1.686 8.430 -11.263 810 H ALA 105 HN ALA 105 -4.573 6.320 -8.916 811 HA ALA 105 HA ALA 105 -5.929 8.805 -9.347 812 1HB ALA 105 1HB ALA 105 -6.869 6.411 -7.742 813 2HB ALA 105 2HB ALA 105 -7.032 6.587 -9.490 814 3HB ALA 105 3HB ALA 105 -7.892 7.684 -8.409 815 H PHE 106 HN PHE 106 -4.471 7.417 -6.464 816 HA PHE 106 HA PHE 106 -5.718 9.519 -4.775 817 1HB PHE 106 2HB PHE 106 -4.147 7.015 -4.199 818 2HB PHE 106 1HB PHE 106 -4.383 8.244 -2.959 819 HD1 PHE 106 HD1 PHE 106 -6.564 8.680 -2.002 820 HD2 PHE 106 HD2 PHE 106 -6.065 5.767 -5.115 821 HE1 PHE 106 HE1 PHE 106 -8.825 7.786 -1.528 822 HE2 PHE 106 HE2 PHE 106 -8.327 4.873 -4.642 823 HZ PHE 106 HZ PHE 106 -9.707 5.882 -2.848 824 H LYS 107 HN LYS 107 -2.947 9.196 -6.635 825 HA LYS 107 HA LYS 107 -0.900 10.210 -4.966 826 1HB LYS 107 2HB LYS 107 0.308 10.763 -6.932 827 2HB LYS 107 1HB LYS 107 -0.675 9.372 -7.370 828 1HG LYS 107 2HG LYS 107 -2.406 11.020 -8.246 829 2HG LYS 107 1HG LYS 107 -1.182 12.274 -8.046 830 1HD LYS 107 2HD LYS 107 0.112 10.143 -9.376 831 2HD LYS 107 1HD LYS 107 -1.451 10.328 -10.171 832 1HE LYS 107 2HE LYS 107 0.121 11.798 -11.275 833 2HE LYS 107 1HE LYS 107 -0.989 12.799 -10.339 834 1HZ LYS 107 1HE LYS 107 1.793 12.042 -9.668 835 2HZ LYS 107 2HE LYS 107 0.721 12.676 -8.512 836 3HZ LYS 107 3HE LYS 107 1.152 13.599 -9.872 837 H ASP 108 HN ASP 108 -3.462 12.001 -6.704 838 HA ASP 108 HA ASP 108 -2.392 14.606 -6.170 839 1HB ASP 108 2HB ASP 108 -4.428 13.665 -7.687 840 2HB ASP 108 1HB ASP 108 -5.338 14.282 -6.308 841 H ASP 109 HN ASP 109 -4.647 12.533 -4.347 842 HA ASP 109 HA ASP 109 -4.684 14.592 -2.185 843 1HB ASP 109 2HB ASP 109 -6.520 12.272 -2.820 844 2HB ASP 109 1HB ASP 109 -6.617 13.184 -1.314 845 H VAL 110 HN VAL 110 -2.579 13.985 -1.297 846 HA VAL 110 HA VAL 110 -2.622 11.320 0.064 847 HB VAL 110 HB VAL 110 -0.118 12.859 -0.634 848 1HG1 VAL 110 1HG1 VAL 110 -0.825 10.133 0.388 849 2HG1 VAL 110 2HG1 VAL 110 0.443 11.234 0.924 850 3HG1 VAL 110 3HG1 VAL 110 0.640 10.328 -0.575 851 1HG2 VAL 110 1HG2 VAL 110 -0.115 10.845 -2.433 852 2HG2 VAL 110 2HG2 VAL 110 -0.738 12.451 -2.801 853 3HG2 VAL 110 3HG2 VAL 110 -1.851 11.155 -2.354 854 H ASP 111 HN ASP 111 -1.815 11.295 2.236 855 HA ASP 111 HA ASP 111 -1.420 13.985 3.474 856 1HB ASP 111 2HB ASP 111 -3.725 12.849 3.860 857 2HB ASP 111 1HB ASP 111 -2.835 11.738 4.902 858 H THR 112 HN THR 112 -0.760 10.511 3.570 859 HA THR 112 HA THR 112 1.771 11.092 5.002 860 HB THR 112 HB THR 112 -0.050 8.862 5.933 861 HG1 THR 112 HG1 THR 112 -0.514 10.289 7.677 862 1HG2 THR 112 1HG2 THR 112 1.426 8.884 7.886 863 2HG2 THR 112 2HG2 THR 112 2.320 10.249 7.218 864 3HG2 THR 112 3HG2 THR 112 2.378 8.678 6.416 865 H LEU 113 HN LEU 113 3.395 9.976 4.011 866 HA LEU 113 HA LEU 113 2.616 7.688 2.255 867 1HB LEU 113 2HB LEU 113 5.113 9.407 2.173 868 2HB LEU 113 1HB LEU 113 4.698 8.133 1.029 869 HG LEU 113 HG LEU 113 2.709 10.318 1.505 870 1HD1 LEU 113 1HD1 LEU 113 5.281 11.040 0.929 871 2HD1 LEU 113 2HD1 LEU 113 3.863 11.941 0.394 872 3HD1 LEU 113 3HD1 LEU 113 4.635 10.784 -0.692 873 1HD2 LEU 113 1HD2 LEU 113 2.787 9.800 -1.160 874 2HD2 LEU 113 2HD2 LEU 113 1.803 8.876 -0.025 875 3HD2 LEU 113 3HD2 LEU 113 3.377 8.262 -0.530 876 H LEU 114 HN LEU 114 3.406 5.679 2.703 877 HA LEU 114 HA LEU 114 5.616 5.453 4.702 878 1HB LEU 114 2HB LEU 114 3.175 3.658 4.493 879 2HB LEU 114 1HB LEU 114 4.483 3.505 5.667 880 HG LEU 114 HG LEU 114 3.151 6.159 5.519 881 1HD1 LEU 114 1HD1 LEU 114 1.759 4.201 7.245 882 2HD1 LEU 114 2HD1 LEU 114 1.473 4.009 5.515 883 3HD1 LEU 114 3HD1 LEU 114 1.103 5.541 6.306 884 1HD2 LEU 114 1HD2 LEU 114 5.032 5.342 7.097 885 2HD2 LEU 114 2HD2 LEU 114 3.761 4.452 7.932 886 3HD2 LEU 114 3HD2 LEU 114 3.680 6.210 7.823 887 H VAL 115 HN VAL 115 7.158 5.034 3.093 888 HA VAL 115 HA VAL 115 6.646 2.631 1.387 889 HB VAL 115 HB VAL 115 7.045 4.725 0.139 890 1HG1 VAL 115 1HG1 VAL 115 9.665 4.687 1.661 891 2HG1 VAL 115 2HG1 VAL 115 8.425 5.941 1.701 892 3HG1 VAL 115 3HG1 VAL 115 9.377 5.688 0.238 893 1HG2 VAL 115 1HG2 VAL 115 9.122 3.877 -1.139 894 2HG2 VAL 115 2HG2 VAL 115 7.741 2.786 -1.038 895 3HG2 VAL 115 3HG2 VAL 115 9.135 2.545 0.015 896 H THR 116 HN THR 116 8.161 0.979 1.313 897 HA THR 116 HA THR 116 10.308 1.084 3.392 898 HB THR 116 HB THR 116 9.354 -1.472 2.127 899 HG1 THR 116 HG1 THR 116 7.717 -1.600 3.626 900 1HG2 THR 116 1HG2 THR 116 10.113 -2.438 4.178 901 2HG2 THR 116 2HG2 THR 116 10.204 -0.860 4.960 902 3HG2 THR 116 3HG2 THR 116 11.349 -1.279 3.688 903 H ARG 117 HN ARG 117 12.375 1.127 2.599 904 HA ARG 117 HA ARG 117 12.742 0.472 -0.287 905 1HB ARG 117 2HB ARG 117 14.421 2.118 1.625 906 2HB ARG 117 1HB ARG 117 14.886 1.757 -0.037 907 1HG ARG 117 2HG ARG 117 12.151 2.781 0.158 908 2HG ARG 117 1HG ARG 117 13.344 3.921 0.779 909 1HD ARG 117 2HD ARG 117 14.615 3.128 -1.471 910 2HD ARG 117 1HD ARG 117 12.942 2.924 -1.991 911 HE ARG 117 HE ARG 117 13.302 5.480 -0.706 912 1HH1 ARG 117 1HH2 ARG 117 13.908 3.703 -3.625 913 2HH1 ARG 117 2HH2 ARG 117 13.911 5.115 -4.625 914 1HH2 ARG 117 1HH1 ARG 117 13.307 7.311 -2.016 915 2HH2 ARG 117 2HH1 ARG 117 13.572 7.148 -3.720 916 H LEU 118 HN LEU 118 13.559 -1.515 -0.665 917 HA LEU 118 HA LEU 118 15.000 -2.976 1.441 918 1HB LEU 118 2HB LEU 118 14.285 -3.699 -1.421 919 2HB LEU 118 1HB LEU 118 15.123 -4.783 -0.314 920 HG LEU 118 HG LEU 118 13.166 -4.450 1.291 921 1HD1 LEU 118 1HD1 LEU 118 12.231 -2.951 -1.121 922 2HD1 LEU 118 2HD1 LEU 118 11.972 -2.595 0.586 923 3HD1 LEU 118 3HD1 LEU 118 11.041 -3.870 -0.201 924 1HD2 LEU 118 1HD2 LEU 118 11.695 -6.024 0.006 925 2HD2 LEU 118 2HD2 LEU 118 13.390 -6.510 0.002 926 3HD2 LEU 118 3HD2 LEU 118 12.691 -5.734 -1.420 927 H ALA 119 HN ALA 119 17.212 -3.737 1.156 928 HA ALA 119 HA ALA 119 18.882 -1.757 -0.228 929 1HB ALA 119 1HB ALA 119 20.464 -2.364 1.267 930 2HB ALA 119 2HB ALA 119 20.284 -4.074 0.877 931 3HB ALA 119 3HB ALA 119 19.204 -3.317 2.049 932 H GLY 120 HN GLY 120 17.773 -5.038 -0.750 933 1HA GLY 120 2HA GLY 120 19.781 -5.698 -2.743 934 2HA GLY 120 1HA GLY 120 18.278 -6.576 -2.460 935 H SER 121 HN SER 121 19.001 -6.219 -5.064 936 HA SER 121 HA SER 121 17.154 -4.052 -5.989 937 1HB SER 121 2HB SER 121 18.557 -3.769 -7.947 938 2HB SER 121 1HB SER 121 19.579 -3.653 -6.517 939 HG SER 121 HG SER 121 20.608 -5.352 -7.179 940 H PHE 122 HN PHE 122 15.321 -5.000 -6.770 941 HA PHE 122 HA PHE 122 15.584 -7.657 -8.107 942 1HB PHE 122 2HB PHE 122 13.098 -6.376 -6.933 943 2HB PHE 122 1HB PHE 122 13.255 -8.030 -7.526 944 HD1 PHE 122 HD1 PHE 122 14.324 -9.744 -6.210 945 HD2 PHE 122 HD2 PHE 122 14.297 -5.662 -4.872 946 HE1 PHE 122 HE1 PHE 122 15.125 -10.470 -3.978 947 HE2 PHE 122 HE2 PHE 122 15.098 -6.388 -2.640 948 HZ PHE 122 HZ PHE 122 15.512 -8.792 -2.193 949 H GLU 123 HN GLU 123 14.104 -7.984 -9.983 950 HA GLU 123 HA GLU 123 13.734 -5.424 -11.489 951 1HB GLU 123 2HB GLU 123 14.241 -8.217 -12.560 952 2HB GLU 123 1HB GLU 123 14.019 -6.767 -13.542 953 1HG GLU 123 HG2 GLU 123 16.004 -5.746 -12.563 954 2HG GLU 123 HG1 GLU 123 16.199 -7.111 -11.463 955 H GLY 124 HN GLY 124 11.883 -5.397 -12.997 956 1HA GLY 124 2HA GLY 124 9.818 -7.379 -12.969 957 2HA GLY 124 1HA GLY 124 9.425 -6.116 -11.800 958 H ASP 125 HN ASP 125 7.586 -5.482 -13.194 959 HA ASP 125 HA ASP 125 8.487 -3.731 -15.421 960 1HB ASP 125 2HB ASP 125 6.741 -6.084 -15.584 961 2HB ASP 125 1HB ASP 125 5.988 -4.627 -16.232 962 H THR 126 HN THR 126 6.680 -4.200 -12.594 963 HA THR 126 HA THR 126 5.028 -1.769 -13.135 964 HB THR 126 HB THR 126 4.507 -3.615 -10.825 965 HG1 THR 126 HG1 THR 126 4.263 -5.139 -12.256 966 1HG2 THR 126 1HG2 THR 126 3.090 -1.526 -12.390 967 2HG2 THR 126 2HG2 THR 126 3.011 -1.891 -10.666 968 3HG2 THR 126 3HG2 THR 126 2.113 -2.878 -11.818 969 H LYS 127 HN LYS 127 5.773 0.017 -12.151 970 HA LYS 127 HA LYS 127 7.283 -0.303 -9.590 971 1HB LYS 127 2HB LYS 127 7.808 1.547 -11.927 972 2HB LYS 127 1HB LYS 127 8.507 1.815 -10.329 973 1HG LYS 127 2HG LYS 127 9.339 -0.610 -10.468 974 2HG LYS 127 1HG LYS 127 8.941 -0.530 -12.183 975 1HD LYS 127 2HD LYS 127 10.372 1.574 -12.289 976 2HD LYS 127 1HD LYS 127 10.928 1.172 -10.664 977 1HE LYS 127 2HE LYS 127 11.835 -0.933 -11.414 978 2HE LYS 127 1HE LYS 127 11.096 -0.743 -13.004 979 1HZ LYS 127 1HE LYS 127 13.571 -0.126 -12.651 980 2HZ LYS 127 2HE LYS 127 12.943 1.315 -12.006 981 3HZ LYS 127 3HE LYS 127 12.588 0.872 -13.607 982 H MET 128 HN MET 128 7.124 1.608 -8.166 983 HA MET 128 HA MET 128 4.416 2.495 -7.876 984 1HB MET 128 2HB MET 128 6.436 2.348 -6.160 985 2HB MET 128 1HB MET 128 6.662 4.032 -6.637 986 1HG MET 128 2HG MET 128 3.856 3.333 -6.120 987 2HG MET 128 1HG MET 128 4.892 3.155 -4.708 988 1HE MET 128 1HE MET 128 2.921 6.477 -4.394 989 2HE MET 128 2HE MET 128 3.717 5.336 -3.311 990 3HE MET 128 3HE MET 128 2.668 4.738 -4.595 991 H ILE 129 HN ILE 129 3.671 4.753 -7.952 992 HA ILE 129 HA ILE 129 4.412 6.047 -10.436 993 HB ILE 129 HB ILE 129 2.744 7.758 -9.706 994 1HG1 ILE 129 2HG1 ILE 129 1.995 6.140 -7.336 995 2HG1 ILE 129 1HG1 ILE 129 3.476 7.085 -7.172 996 1HG2 ILE 129 1HG2 ILE 129 2.240 5.334 -10.647 997 2HG2 ILE 129 2HG2 ILE 129 0.927 6.376 -10.100 998 3HG2 ILE 129 3HG2 ILE 129 1.536 5.100 -9.046 999 1HD1 ILE 129 1HD1 ILE 129 0.693 8.078 -7.800 1000 2HD1 ILE 129 2HD1 ILE 129 2.124 9.064 -8.096 1001 3HD1 ILE 129 3HD1 ILE 129 1.737 8.542 -6.457 1002 HA PRO 130 HA PRO 130 7.334 9.081 -9.049 1003 1HB PRO 130 2HB PRO 130 6.270 11.334 -10.394 1004 2HB PRO 130 1HB PRO 130 7.484 10.205 -11.008 1005 1HG PRO 130 2HG PRO 130 4.818 10.541 -11.919 1006 2HG PRO 130 1HG PRO 130 5.999 9.336 -12.452 1007 1HD PRO 130 2HD PRO 130 3.693 9.007 -10.682 1008 2HD PRO 130 1HD PRO 130 4.647 7.773 -11.520 1009 H LEU 131 HN LEU 131 7.013 9.490 -6.854 1010 HA LEU 131 HA LEU 131 4.776 11.236 -6.024 1011 1HB LEU 131 2HB LEU 131 6.697 9.414 -4.655 1012 2HB LEU 131 1HB LEU 131 6.098 10.788 -3.726 1013 HG LEU 131 HG LEU 131 4.323 8.824 -5.201 1014 1HD1 LEU 131 1HD1 LEU 131 4.362 8.956 -2.234 1015 2HD1 LEU 131 2HD1 LEU 131 5.768 8.209 -2.992 1016 3HD1 LEU 131 3HD1 LEU 131 4.156 7.566 -3.295 1017 1HD2 LEU 131 1HD2 LEU 131 3.297 10.482 -2.976 1018 2HD2 LEU 131 2HD2 LEU 131 2.558 10.108 -4.533 1019 3HD2 LEU 131 3HD2 LEU 131 3.763 11.390 -4.414 1020 H ASN 132 HN ASN 132 5.186 13.182 -4.755 1021 HA ASN 132 HA ASN 132 7.657 14.560 -5.657 1022 1HB ASN 132 2HB ASN 132 5.131 15.436 -5.762 1023 2HB ASN 132 1HB ASN 132 5.525 15.990 -4.134 1024 1HD2 ASN 132 1HD2 ASN 132 5.527 18.257 -4.869 1025 2HD2 ASN 132 2HD2 ASN 132 6.810 18.865 -5.800 1026 H TRP 133 HN TRP 133 8.771 13.104 -3.963 1027 HA TRP 133 HA TRP 133 8.431 13.340 -1.186 1028 1HB TRP 133 2HB TRP 133 11.125 13.247 -2.573 1029 2HB TRP 133 1HB TRP 133 10.740 12.663 -0.955 1030 HD1 TRP 133 HD1 TRP 133 10.595 11.707 -4.592 1031 HE1 TRP 133 HE1 TRP 133 9.706 9.298 -4.817 1032 HE3 TRP 133 HE3 TRP 133 9.081 10.873 0.212 1033 HZ2 TRP 133 HZ2 TRP 133 8.513 7.284 -3.176 1034 HZ3 TRP 133 HZ3 TRP 133 8.075 8.702 0.854 1035 HH2 TRP 133 HH2 TRP 133 7.789 6.908 -0.833 1036 H ASP 134 HN ASP 134 9.742 15.662 -3.440 1037 HA ASP 134 HA ASP 134 11.126 17.328 -1.554 1038 1HB ASP 134 2HB ASP 134 10.769 17.336 -4.299 1039 2HB ASP 134 1HB ASP 134 9.871 18.765 -3.784 1040 H ASP 135 HN ASP 135 7.740 16.946 -2.334 1041 HA ASP 135 HA ASP 135 7.006 19.443 -0.931 1042 1HB ASP 135 2HB ASP 135 5.805 17.777 -2.928 1043 2HB ASP 135 1HB ASP 135 4.727 17.822 -1.534 1044 H PHE 136 HN PHE 136 7.640 16.217 -0.139 1045 HA PHE 136 HA PHE 136 5.965 16.434 2.334 1046 1HB PHE 136 2HB PHE 136 6.907 13.994 0.805 1047 2HB PHE 136 1HB PHE 136 6.203 13.912 2.419 1048 HD1 PHE 136 HD1 PHE 136 5.558 14.743 -1.124 1049 HD2 PHE 136 HD2 PHE 136 3.842 14.302 2.788 1050 HE1 PHE 136 HE1 PHE 136 3.286 14.791 -2.116 1051 HE2 PHE 136 HE2 PHE 136 1.569 14.352 1.797 1052 HZ PHE 136 HZ PHE 136 1.292 14.595 -0.655 1053 H THR 137 HN THR 137 7.000 15.316 4.252 1054 HA THR 137 HA THR 137 9.976 15.334 4.117 1055 HB THR 137 HB THR 137 8.375 16.652 6.331 1056 HG1 THR 137 HG1 THR 137 8.395 17.727 4.224 1057 1HG2 THR 137 1HG2 THR 137 10.320 16.438 7.447 1058 2HG2 THR 137 2HG2 THR 137 11.017 17.570 6.288 1059 3HG2 THR 137 3HG2 THR 137 11.147 15.834 6.011 1060 H LYS 138 HN LYS 138 10.835 13.574 5.153 1061 HA LYS 138 HA LYS 138 9.057 11.593 6.287 1062 1HB LYS 138 2HB LYS 138 11.136 11.010 5.063 1063 2HB LYS 138 1HB LYS 138 12.084 11.735 6.362 1064 1HG LYS 138 2HG LYS 138 10.215 9.929 7.550 1065 2HG LYS 138 1HG LYS 138 11.015 9.085 6.224 1066 1HD LYS 138 2HD LYS 138 12.648 10.729 8.136 1067 2HD LYS 138 1HD LYS 138 12.135 9.105 8.596 1068 1HE LYS 138 2HE LYS 138 14.178 8.663 7.558 1069 2HE LYS 138 1HE LYS 138 13.050 8.449 6.219 1070 1HZ LYS 138 1HE LYS 138 13.795 10.278 5.187 1071 2HZ LYS 138 2HE LYS 138 15.182 10.059 6.143 1072 3HZ LYS 138 3HE LYS 138 13.981 11.162 6.622 1073 H VAL 139 HN VAL 139 8.347 11.518 8.356 1074 HA VAL 139 HA VAL 139 9.700 13.238 10.371 1075 HB VAL 139 HB VAL 139 7.602 12.852 11.698 1076 1HG1 VAL 139 1HG1 VAL 139 6.457 13.815 9.190 1077 2HG1 VAL 139 2HG1 VAL 139 8.046 14.513 9.500 1078 3HG1 VAL 139 3HG1 VAL 139 6.758 14.689 10.691 1079 1HG2 VAL 139 1HG2 VAL 139 7.267 10.718 9.954 1080 2HG2 VAL 139 2HG2 VAL 139 6.102 11.901 9.360 1081 3HG2 VAL 139 3HG2 VAL 139 6.030 11.357 11.036 1082 H SER 140 HN SER 140 9.128 9.881 9.595 1083 HA SER 140 HA SER 140 10.704 9.137 11.999 1084 1HB SER 140 2HB SER 140 7.912 8.195 11.374 1085 2HB SER 140 1HB SER 140 9.018 7.183 12.298 1086 HG SER 140 HG SER 140 7.792 8.524 13.665 1087 H SER 141 HN SER 141 12.031 7.380 11.639 1088 HA SER 141 HA SER 141 11.546 5.629 9.319 1089 1HB SER 141 2HB SER 141 13.393 7.833 9.198 1090 2HB SER 141 1HB SER 141 14.289 6.320 9.115 1091 HG SER 141 HG SER 141 13.674 6.621 7.068 1092 H ARG 142 HN ARG 142 12.326 3.573 9.709 1093 HA ARG 142 HA ARG 142 14.266 3.231 11.952 1094 1HB ARG 142 2HB ARG 142 11.702 2.665 12.373 1095 2HB ARG 142 1HB ARG 142 12.111 1.197 11.486 1096 1HG ARG 142 2HG ARG 142 14.095 0.954 13.081 1097 2HG ARG 142 1HG ARG 142 13.334 2.211 14.057 1098 1HD ARG 142 2HD ARG 142 11.213 0.549 13.632 1099 2HD ARG 142 1HD ARG 142 12.540 -0.612 13.668 1100 HE ARG 142 HE ARG 142 12.887 1.133 15.872 1101 1HH1 ARG 142 1HH2 ARG 142 10.654 -1.243 14.683 1102 2HH1 ARG 142 2HH2 ARG 142 10.141 -1.724 16.264 1103 1HH2 ARG 142 1HH1 ARG 142 12.214 0.501 17.923 1104 2HH2 ARG 142 2HH1 ARG 142 11.019 -0.742 18.090 1105 H THR 143 HN THR 143 15.962 1.874 11.362 1106 HA THR 143 HA THR 143 15.735 0.558 8.700 1107 HB THR 143 HB THR 143 18.269 0.873 10.311 1108 HG1 THR 143 HG1 THR 143 17.678 2.933 10.147 1109 1HG2 THR 143 1HG2 THR 143 19.344 0.345 8.352 1110 2HG2 THR 143 2HG2 THR 143 18.105 1.096 7.346 1111 3HG2 THR 143 3HG2 THR 143 17.827 -0.500 8.045 1112 H VAL 144 HN VAL 144 15.470 -1.623 8.646 1113 HA VAL 144 HA VAL 144 16.249 -3.176 11.085 1114 HB VAL 144 HB VAL 144 14.091 -3.920 9.094 1115 1HG1 VAL 144 1HG1 VAL 144 13.422 -5.181 11.340 1116 2HG1 VAL 144 2HG1 VAL 144 15.148 -5.020 11.666 1117 3HG1 VAL 144 3HG1 VAL 144 14.599 -5.872 10.223 1118 1HG2 VAL 144 1HG2 VAL 144 14.068 -2.006 11.332 1119 2HG2 VAL 144 2HG2 VAL 144 12.812 -3.239 11.443 1120 3HG2 VAL 144 3HG2 VAL 144 12.914 -2.210 10.014 1121 H GLU 145 HN GLU 145 17.925 -4.547 10.699 1122 HA GLU 145 HA GLU 145 18.663 -5.201 7.923 1123 1HB GLU 145 2HB GLU 145 20.612 -6.343 9.033 1124 2HB GLU 145 1HB GLU 145 20.471 -4.634 9.444 1125 1HG GLU 145 HG2 GLU 145 19.695 -5.079 11.604 1126 2HG GLU 145 HG1 GLU 145 19.131 -6.695 11.174 1127 H ASP 146 HN ASP 146 19.069 -7.498 7.314 1128 HA ASP 146 HA ASP 146 17.461 -9.458 8.876 1129 1HB ASP 146 2HB ASP 146 16.486 -8.254 6.575 1130 2HB ASP 146 1HB ASP 146 17.153 -9.774 5.978 1131 H THR 147 HN THR 147 18.026 -11.694 8.393 1132 HA THR 147 HA THR 147 20.810 -12.166 8.074 1133 HB THR 147 HB THR 147 20.021 -14.587 7.683 1134 HG1 THR 147 HG1 THR 147 18.013 -14.527 7.009 1135 1HG2 THR 147 1HG2 THR 147 19.753 -14.870 9.969 1136 2HG2 THR 147 2HG2 THR 147 18.730 -13.442 10.130 1137 3HG2 THR 147 3HG2 THR 147 20.473 -13.260 9.927 1138 H ASN 148 HN ASN 148 18.424 -11.546 5.712 1139 HA ASN 148 HA ASN 148 20.124 -12.769 3.583 1140 1HB ASN 148 2HB ASN 148 17.609 -13.295 3.730 1141 2HB ASN 148 1HB ASN 148 17.361 -11.648 3.164 1142 1HD2 ASN 148 1HD2 ASN 148 17.453 -14.700 1.976 1143 2HD2 ASN 148 2HD2 ASN 148 18.082 -14.403 0.427 1144 HA PRO 149 HA PRO 149 21.936 -8.800 2.755 1145 1HB PRO 149 2HB PRO 149 22.231 -9.541 -0.023 1146 2HB PRO 149 1HB PRO 149 23.476 -9.412 1.225 1147 1HG PRO 149 2HG PRO 149 22.279 -11.784 0.115 1148 2HG PRO 149 1HG PRO 149 23.622 -11.651 1.259 1149 1HD PRO 149 2HD PRO 149 21.065 -12.618 1.841 1150 2HD PRO 149 1HD PRO 149 22.288 -12.133 3.025 1151 H ALA 150 HN ALA 150 19.745 -10.100 0.233 1152 HA ALA 150 HA ALA 150 19.027 -7.425 -0.664 1153 1HB ALA 150 1HB ALA 150 18.009 -8.489 -2.411 1154 2HB ALA 150 2HB ALA 150 17.272 -9.707 -1.371 1155 3HB ALA 150 3HB ALA 150 18.962 -9.861 -1.848 1156 H LEU 151 HN LEU 151 17.684 -9.707 1.650 1157 HA LEU 151 HA LEU 151 15.056 -8.503 1.716 1158 1HB LEU 151 2HB LEU 151 16.504 -10.279 3.685 1159 2HB LEU 151 1HB LEU 151 14.831 -9.775 3.878 1160 HG LEU 151 HG LEU 151 15.904 -11.244 1.452 1161 1HD1 LEU 151 1HD1 LEU 151 15.156 -12.209 4.064 1162 2HD1 LEU 151 2HD1 LEU 151 15.707 -13.129 2.664 1163 3HD1 LEU 151 3HD1 LEU 151 13.991 -12.785 2.871 1164 1HD2 LEU 151 1HD2 LEU 151 13.019 -11.245 2.076 1165 2HD2 LEU 151 2HD2 LEU 151 13.834 -11.005 0.531 1166 3HD2 LEU 151 3HD2 LEU 151 13.663 -9.660 1.656 1167 H THR 152 HN THR 152 17.968 -7.188 2.684 1168 HA THR 152 HA THR 152 17.240 -6.036 5.222 1169 HB THR 152 HB THR 152 19.111 -4.910 3.110 1170 HG1 THR 152 HG1 THR 152 20.680 -5.993 4.476 1171 1HG2 THR 152 1HG2 THR 152 18.208 -3.836 5.553 1172 2HG2 THR 152 2HG2 THR 152 19.574 -3.277 4.588 1173 3HG2 THR 152 3HG2 THR 152 19.828 -4.454 5.876 1174 H HIS 153 HN HIS 153 16.165 -4.032 5.638 1175 HA HIS 153 HA HIS 153 15.368 -2.340 3.375 1176 1HB HIS 153 2HB HIS 153 12.912 -2.642 3.870 1177 2HB HIS 153 1HB HIS 153 13.687 -4.046 3.138 1178 HD1 HIS 153 HD1 HIS 153 14.284 -6.055 4.768 1179 HD2 HIS 153 HD2 HIS 153 11.917 -3.074 6.471 1180 HE1 HIS 153 HE1 HIS 153 13.325 -7.031 6.899 1181 H THR 154 HN THR 154 14.120 -0.455 4.069 1182 HA THR 154 HA THR 154 14.345 0.140 6.989 1183 HB THR 154 HB THR 154 14.847 2.197 4.831 1184 HG1 THR 154 HG1 THR 154 16.678 0.458 6.113 1185 1HG2 THR 154 1HG2 THR 154 15.170 3.587 6.570 1186 2HG2 THR 154 2HG2 THR 154 16.276 2.451 7.342 1187 3HG2 THR 154 3HG2 THR 154 14.540 2.313 7.612 1188 H TYR 155 HN TYR 155 12.683 1.634 7.752 1189 HA TYR 155 HA TYR 155 10.323 1.733 5.926 1190 1HB TYR 155 2HB TYR 155 10.507 2.037 8.941 1191 2HB TYR 155 1HB TYR 155 9.015 2.098 8.005 1192 HD1 TYR 155 HD1 TYR 155 8.649 0.025 6.371 1193 HD2 TYR 155 HD2 TYR 155 11.153 0.000 9.860 1194 HE1 TYR 155 HE1 TYR 155 8.478 -2.447 6.476 1195 HE2 TYR 155 HE2 TYR 155 10.982 -2.472 9.966 1196 HH TYR 155 HH TYR 155 8.843 -4.266 7.803 1197 H GLU 156 HN GLU 156 9.904 3.718 5.013 1198 HA GLU 156 HA GLU 156 10.908 6.131 6.468 1199 1HB GLU 156 2HB GLU 156 10.372 5.728 3.508 1200 2HB GLU 156 1HB GLU 156 10.900 7.241 4.247 1201 1HG GLU 156 HG2 GLU 156 12.771 5.541 5.244 1202 2HG GLU 156 HG1 GLU 156 12.440 4.769 3.692 1203 H VAL 157 HN VAL 157 9.301 7.334 7.368 1204 HA VAL 157 HA VAL 157 6.560 7.133 6.187 1205 HB VAL 157 HB VAL 157 7.394 7.978 8.982 1206 1HG1 VAL 157 1HG1 VAL 157 4.804 7.856 7.505 1207 2HG1 VAL 157 2HG1 VAL 157 5.334 8.983 8.754 1208 3HG1 VAL 157 3HG1 VAL 157 4.796 7.363 9.198 1209 1HG2 VAL 157 1HG2 VAL 157 5.825 5.621 9.013 1210 2HG2 VAL 157 2HG2 VAL 157 7.531 5.774 9.431 1211 3HG2 VAL 157 3HG2 VAL 157 7.061 5.370 7.781 1212 H TRP 158 HN TRP 158 5.828 8.965 5.179 1213 HA TRP 158 HA TRP 158 7.234 11.527 5.813 1214 1HB TRP 158 2HB TRP 158 5.800 10.730 3.268 1215 2HB TRP 158 1HB TRP 158 6.628 12.259 3.546 1216 HD1 TRP 158 HD1 TRP 158 7.455 8.478 3.590 1217 HE1 TRP 158 HE1 TRP 158 9.879 8.183 2.762 1218 HE3 TRP 158 HE3 TRP 158 8.776 13.371 2.970 1219 HZ2 TRP 158 HZ2 TRP 158 12.087 9.810 1.945 1220 HZ3 TRP 158 HZ3 TRP 158 11.042 13.970 2.167 1221 HH2 TRP 158 HH2 TRP 158 12.698 12.198 1.654 1222 H GLN 159 HN GLN 159 5.916 13.480 5.675 1223 HA GLN 159 HA GLN 159 2.988 13.072 6.035 1224 1HB GLN 159 2HB GLN 159 4.919 14.368 7.953 1225 2HB GLN 159 1HB GLN 159 3.253 14.940 7.866 1226 1HG GLN 159 2HG GLN 159 3.466 12.012 7.972 1227 2HG GLN 159 1HG GLN 159 4.126 12.812 9.399 1228 1HE2 GLN 159 1HE2 GLN 159 2.621 14.486 10.448 1229 2HE2 GLN 159 2HE2 GLN 159 0.950 14.192 10.390 1230 H LYS 160 HN LYS 160 1.773 14.847 5.130 1231 HA LYS 160 HA LYS 160 3.223 16.517 3.275 1232 1HB LYS 160 2HB LYS 160 0.777 15.598 3.170 1233 2HB LYS 160 1HB LYS 160 0.385 17.020 4.137 1234 1HG LYS 160 2HG LYS 160 1.133 18.511 2.451 1235 2HG LYS 160 1HG LYS 160 1.991 17.233 1.589 1236 1HD LYS 160 2HD LYS 160 0.143 17.074 0.293 1237 2HD LYS 160 1HD LYS 160 -0.612 16.281 1.676 1238 1HE LYS 160 2HE LYS 160 -1.759 18.189 2.322 1239 2HE LYS 160 1HE LYS 160 -0.571 19.274 1.601 1240 1HZ LYS 160 1HE LYS 160 -2.953 18.267 0.476 1241 2HZ LYS 160 2HE LYS 160 -1.635 17.756 -0.466 1242 3HZ LYS 160 3HE LYS 160 -1.877 19.410 -0.164 1243 H LYS 161 HN LYS 161 4.200 18.413 3.750 1244 HA LYS 161 HA LYS 161 3.676 19.713 6.346 1245 1HB LYS 161 2HB LYS 161 5.622 20.404 4.122 1246 2HB LYS 161 1HB LYS 161 5.566 21.183 5.703 1247 1HG LYS 161 2HG LYS 161 5.650 18.311 6.026 1248 2HG LYS 161 1HG LYS 161 6.985 18.841 5.003 1249 1HD LYS 161 2HD LYS 161 7.961 19.173 7.065 1250 2HD LYS 161 1HD LYS 161 7.169 20.738 6.879 1251 1HE LYS 161 2HE LYS 161 5.298 18.831 7.971 1252 2HE LYS 161 1HE LYS 161 6.766 18.852 8.948 1253 1HZ LYS 161 1HE LYS 161 5.652 20.587 9.869 1254 2HZ LYS 161 2HE LYS 161 4.840 20.993 8.433 1255 3HZ LYS 161 3HE LYS 161 6.469 21.428 8.643 1256 H ALA 162 HN ALA 162 3.461 22.180 6.294 1257 HA ALA 162 HA ALA 162 1.811 23.053 3.958 1258 1HB ALA 162 1HB ALA 162 0.088 23.818 5.303 1259 2HB ALA 162 2HB ALA 162 1.138 24.039 6.702 1260 3HB ALA 162 3HB ALA 162 0.608 22.421 6.244 1261 AH51 NDP 168 AH51 NDP 168 -5.471 -2.521 -10.247 1262 AH52 NDP 168 AH52 NDP 168 -5.554 -3.891 -9.128 1263 AH4* NDP 168 AH4* NDP 168 -7.553 -4.748 -10.372 1264 AH3* NDP 168 AH3* NDP 168 -7.230 -2.230 -12.019 1265 AHO3 NDP 168 AHO3 NDP 168 -6.634 -4.259 -12.948 1266 AH2* NDP 168 AH2* NDP 168 -9.621 -2.133 -12.123 1267 AH1* NDP 168 AH1* NDP 168 -10.040 -2.697 -9.446 1268 AH8 NDP 168 AH8 NDP 168 -6.953 -0.556 -9.870 1269 AH61 NDP 168 AH61 NDP 168 -10.831 4.271 -9.552 1270 AH62 NDP 168 AH62 NDP 168 -9.160 3.767 -9.455 1271 AH2 NDP 168 AH2 NDP 168 -13.292 0.530 -9.804 1272 NH51 NDP 168 NH51 NDP 168 -0.578 -4.537 -10.477 1273 NH52 NDP 168 NH52 NDP 168 -1.556 -5.744 -9.651 1274 NH4* NDP 168 NH4* NDP 168 1.012 -6.077 -9.580 1275 NH3* NDP 168 NH3* NDP 168 -0.604 -6.131 -7.011 1276 NHO3 NDP 168 NHO3 NDP 168 -0.543 -7.746 -9.013 1277 NH2* NDP 168 NH2* NDP 168 1.459 -6.736 -5.936 1278 NHO2 NDP 168 NHO2 NDP 168 2.844 -6.895 -8.390 1279 NH1* NDP 168 NH1* NDP 168 3.004 -4.871 -7.309 1280 NH2 NDP 168 NH2 NDP 168 3.469 -3.497 -5.409 1281 NH71 NDP 168 NH71 NDP 168 4.829 -2.856 -4.626 1282 NH72 NDP 168 NH72 NDP 168 5.278 -2.198 -3.072 1283 NH41 NDP 168 NH41 NDP 168 0.313 -1.954 -3.545 1284 NH42 NDP 168 NH42 NDP 168 0.589 -3.490 -2.653 1285 NH5 NDP 168 NH5 NDP 168 -1.351 -3.683 -4.200 1286 NH6 NDP 168 NH6 NDP 168 -0.599 -4.793 -6.337 1287 H1 TRR 170 H1 TRR 170 4.720 -5.307 1.527 1288 1H2 TRR 170 1H2 TRR 170 5.611 -3.426 2.699 1289 2H2 TRR 170 2H2 TRR 170 4.767 -1.939 2.679 1290 1H4 TRR 170 1H4 TRR 170 0.004 -2.900 -0.555 1291 2H4 TRR 170 2H4 TRR 170 0.634 -1.558 0.279 1292 H6 TRR 170 H6 TRR 170 3.064 -6.396 0.151 1293 1H7 TRR 170 1H7 TRR 170 1.012 -4.949 -1.872 1294 2H7 TRR 170 2H7 TRR 170 -0.146 -4.798 -0.548 1295 H12 TRR 170 H12 TRR 170 1.423 -7.055 -2.724 1296 H16 TRR 170 H16 TRR 170 0.063 -6.641 1.348 1297 1H17 TRR 170 1H17 TRR 170 2.298 -9.867 -4.582 1298 2H17 TRR 170 2H17 TRR 170 2.489 -8.322 -3.766 1299 3H17 TRR 170 3H17 TRR 170 0.948 -8.744 -4.498 1300 1H18 TRR 170 1H18 TRR 170 1.796 -11.763 1.042 1301 2H18 TRR 170 2H18 TRR 170 2.622 -10.960 -0.285 1302 3H18 TRR 170 3H18 TRR 170 1.803 -12.491 -0.557 1303 1H19 TRR 170 1H19 TRR 170 0.415 -8.023 3.375 1304 2H19 TRR 170 2H19 TRR 170 -1.012 -9.006 3.671 1305 3H19 TRR 170 3H19 TRR 170 -1.108 -7.618 2.597 Start of MODEL 10 1 1H THR 1 1H THR 1 -6.511 10.499 3.464 2 2H THR 1 2H THR 1 -5.055 10.265 4.307 3 3H THR 1 3H THR 1 -6.358 9.202 4.546 4 HA THR 1 HA THR 1 -5.809 7.946 2.819 5 HB THR 1 HB THR 1 -4.971 10.262 1.111 6 HG1 THR 1 HG1 THR 1 -6.837 11.114 1.598 7 1HG2 THR 1 1HG2 THR 1 -6.258 8.820 -0.559 8 2HG2 THR 1 2HG2 THR 1 -6.344 7.599 0.708 9 3HG2 THR 1 3HG2 THR 1 -4.777 8.114 0.086 10 H ALA 2 HN ALA 2 -3.981 6.800 3.019 11 HA ALA 2 HA ALA 2 -1.383 8.263 2.850 12 1HB ALA 2 1HB ALA 2 -1.986 5.960 4.729 13 2HB ALA 2 2HB ALA 2 -1.946 7.654 5.217 14 3HB ALA 2 3HB ALA 2 -0.479 6.870 4.632 15 H PHE 3 HN PHE 3 0.372 6.965 1.999 16 HA PHE 3 HA PHE 3 -0.604 4.707 0.314 17 1HB PHE 3 2HB PHE 3 1.670 6.660 0.097 18 2HB PHE 3 1HB PHE 3 1.788 5.099 -0.712 19 HD1 PHE 3 HD1 PHE 3 -1.248 7.220 -0.162 20 HD2 PHE 3 HD2 PHE 3 1.548 5.609 -2.983 21 HE1 PHE 3 HE1 PHE 3 -2.642 8.064 -2.029 22 HE2 PHE 3 HE2 PHE 3 0.157 6.450 -4.851 23 HZ PHE 3 HZ PHE 3 -1.938 7.676 -4.372 24 H LEU 4 HN LEU 4 0.174 2.623 0.729 25 HA LEU 4 HA LEU 4 2.497 2.416 2.593 26 1HB LEU 4 2HB LEU 4 0.476 2.050 3.917 27 2HB LEU 4 1HB LEU 4 -0.114 0.877 2.741 28 HG LEU 4 HG LEU 4 1.822 -0.577 3.211 29 1HD1 LEU 4 1HD1 LEU 4 3.283 -0.006 5.158 30 2HD1 LEU 4 2HD1 LEU 4 2.504 1.574 5.241 31 3HD1 LEU 4 3HD1 LEU 4 3.457 1.134 3.823 32 1HD2 LEU 4 1HD2 LEU 4 1.066 -1.370 5.334 33 2HD2 LEU 4 2HD2 LEU 4 -0.345 -0.622 4.584 34 3HD2 LEU 4 3HD2 LEU 4 0.552 0.241 5.833 35 H TRP 5 HN TRP 5 3.856 1.826 0.817 36 HA TRP 5 HA TRP 5 3.290 -0.908 -0.223 37 1HB TRP 5 2HB TRP 5 3.846 -0.323 -2.451 38 2HB TRP 5 1HB TRP 5 2.770 0.958 -1.905 39 HD1 TRP 5 HD1 TRP 5 6.252 0.303 -3.126 40 HE1 TRP 5 HE1 TRP 5 7.553 2.522 -3.290 41 HE3 TRP 5 HE3 TRP 5 3.014 3.412 -0.680 42 HZ2 TRP 5 HZ2 TRP 5 7.260 5.252 -2.498 43 HZ3 TRP 5 HZ3 TRP 5 3.558 5.817 -0.402 44 HH2 TRP 5 HH2 TRP 5 5.670 6.738 -1.306 45 H ALA 6 HN ALA 6 5.449 -1.643 -1.450 46 HA ALA 6 HA ALA 6 7.816 -0.789 0.151 47 1HB ALA 6 1HB ALA 6 6.534 -3.465 0.050 48 2HB ALA 6 2HB ALA 6 7.518 -2.737 1.320 49 3HB ALA 6 3HB ALA 6 8.292 -3.452 -0.095 50 H GLN 7 HN GLN 7 9.621 -0.570 -1.111 51 HA GLN 7 HA GLN 7 9.642 -1.906 -3.773 52 1HB GLN 7 2HB GLN 7 10.455 0.229 -4.798 53 2HB GLN 7 1HB GLN 7 8.793 0.318 -4.217 54 1HG GLN 7 2HG GLN 7 9.372 1.620 -2.358 55 2HG GLN 7 1HG GLN 7 11.063 1.120 -2.414 56 1HE2 GLN 7 1HE2 GLN 7 12.373 2.800 -3.122 57 2HE2 GLN 7 2HE2 GLN 7 11.941 3.953 -4.291 58 H ASP 8 HN ASP 8 11.796 -2.036 -4.733 59 HA ASP 8 HA ASP 8 13.851 -2.390 -2.671 60 1HB ASP 8 2HB ASP 8 15.196 -3.345 -4.526 61 2HB ASP 8 1HB ASP 8 13.606 -4.094 -4.409 62 H ARG 9 HN ARG 9 16.187 -1.786 -4.043 63 HA ARG 9 HA ARG 9 16.468 0.993 -3.527 64 1HB ARG 9 2HB ARG 9 18.649 0.776 -4.761 65 2HB ARG 9 1HB ARG 9 18.421 -0.417 -3.485 66 1HG ARG 9 2HG ARG 9 18.918 -1.963 -5.058 67 2HG ARG 9 1HG ARG 9 17.300 -1.664 -5.687 68 1HD ARG 9 2HD ARG 9 18.180 -0.833 -7.583 69 2HD ARG 9 1HD ARG 9 19.029 0.404 -6.659 70 HE ARG 9 HE ARG 9 20.181 -2.098 -7.668 71 1HH1 ARG 9 1HH1 ARG 9 20.429 0.535 -5.413 72 2HH1 ARG 9 2HH1 ARG 9 22.131 0.333 -5.190 73 1HH2 ARG 9 1HH2 ARG 9 22.392 -2.345 -7.364 74 2HH2 ARG 9 2HH2 ARG 9 23.237 -1.285 -6.286 75 H ASP 10 HN ASP 10 16.009 -0.713 -6.657 76 HA ASP 10 HA ASP 10 16.147 1.705 -8.220 77 1HB ASP 10 2HB ASP 10 15.232 -1.111 -8.695 78 2HB ASP 10 1HB ASP 10 14.795 0.135 -9.865 79 H GLY 11 HN GLY 11 13.551 -0.013 -6.586 80 1HA GLY 11 2HA GLY 11 11.635 1.330 -5.780 81 2HA GLY 11 1HA GLY 11 11.756 2.282 -7.255 82 H LEU 12 HN LEU 12 11.833 -1.272 -7.023 83 HA LEU 12 HA LEU 12 9.539 -1.354 -8.910 84 1HB LEU 12 2HB LEU 12 11.477 -2.755 -9.468 85 2HB LEU 12 1HB LEU 12 11.391 -3.536 -7.891 86 HG LEU 12 HG LEU 12 8.952 -4.162 -8.592 87 1HD1 LEU 12 1HD1 LEU 12 9.518 -2.617 -10.756 88 2HD1 LEU 12 2HD1 LEU 12 8.326 -3.917 -10.766 89 3HD1 LEU 12 3HD1 LEU 12 9.955 -4.209 -11.376 90 1HD2 LEU 12 1HD2 LEU 12 11.424 -5.382 -9.850 91 2HD2 LEU 12 2HD2 LEU 12 9.844 -6.166 -9.821 92 3HD2 LEU 12 3HD2 LEU 12 10.691 -5.828 -8.310 93 H ILE 13 HN ILE 13 7.631 -2.661 -8.374 94 HA ILE 13 HA ILE 13 7.398 -3.288 -5.472 95 HB ILE 13 HB ILE 13 4.887 -2.590 -5.872 96 1HG1 ILE 13 2HG1 ILE 13 5.895 -0.393 -7.542 97 2HG1 ILE 13 1HG1 ILE 13 5.893 -1.944 -8.377 98 1HG2 ILE 13 1HG2 ILE 13 5.410 -0.835 -4.533 99 2HG2 ILE 13 2HG2 ILE 13 6.538 -0.157 -5.707 100 3HG2 ILE 13 3HG2 ILE 13 7.058 -1.454 -4.634 101 1HD1 ILE 13 1HD1 ILE 13 3.464 -2.016 -7.107 102 2HD1 ILE 13 2HD1 ILE 13 3.701 -1.485 -8.772 103 3HD1 ILE 13 3HD1 ILE 13 3.620 -0.297 -7.472 104 H GLY 14 HN GLY 14 5.471 -3.664 -8.481 105 1HA GLY 14 2HA GLY 14 4.708 -6.369 -7.606 106 2HA GLY 14 1HA GLY 14 4.084 -5.524 -9.023 107 H LYS 15 HN LYS 15 5.275 -8.262 -8.694 108 HA LYS 15 HA LYS 15 7.181 -8.035 -10.970 109 1HB LYS 15 2HB LYS 15 8.342 -8.290 -8.650 110 2HB LYS 15 1HB LYS 15 7.768 -9.955 -8.726 111 1HG LYS 15 2HG LYS 15 9.034 -8.994 -11.212 112 2HG LYS 15 1HG LYS 15 10.124 -9.079 -9.829 113 1HD LYS 15 2HD LYS 15 8.368 -11.419 -10.042 114 2HD LYS 15 1HD LYS 15 9.415 -11.215 -11.446 115 1HE LYS 15 2HE LYS 15 11.165 -10.708 -9.402 116 2HE LYS 15 1HE LYS 15 10.113 -11.915 -8.663 117 1HZ LYS 15 1HE LYS 15 11.506 -13.310 -9.726 118 2HZ LYS 15 2HE LYS 15 11.950 -12.170 -10.905 119 3HZ LYS 15 3HE LYS 15 10.481 -13.012 -11.043 120 H ASP 16 HN ASP 16 5.452 -8.906 -12.301 121 HA ASP 16 HA ASP 16 4.206 -10.622 -13.257 122 1HB ASP 16 2HB ASP 16 6.386 -12.199 -11.870 123 2HB ASP 16 1HB ASP 16 5.217 -12.923 -12.974 124 H GLY 17 HN GLY 17 2.854 -9.690 -11.052 125 1HA GLY 17 2HA GLY 17 0.971 -10.537 -9.891 126 2HA GLY 17 1HA GLY 17 1.612 -12.168 -10.073 127 H HIS 18 HN HIS 18 3.212 -12.890 -8.593 128 HA HIS 18 HA HIS 18 2.884 -11.882 -5.907 129 1HB HIS 18 2HB HIS 18 4.562 -13.611 -5.316 130 2HB HIS 18 1HB HIS 18 3.287 -14.259 -6.348 131 HD1 HIS 18 HD1 HIS 18 6.932 -13.445 -6.302 132 HD2 HIS 18 HD2 HIS 18 4.115 -14.830 -9.046 133 HE1 HIS 18 HE1 HIS 18 8.235 -14.281 -8.306 134 H LEU 19 HN LEU 19 4.517 -10.980 -4.533 135 HA LEU 19 HA LEU 19 6.061 -8.873 -5.633 136 1HB LEU 19 2HB LEU 19 6.073 -10.317 -2.997 137 2HB LEU 19 1HB LEU 19 7.356 -9.160 -3.352 138 HG LEU 19 HG LEU 19 4.515 -8.354 -3.856 139 1HD1 LEU 19 1HD1 LEU 19 4.671 -9.393 -1.542 140 2HD1 LEU 19 2HD1 LEU 19 4.186 -7.698 -1.567 141 3HD1 LEU 19 3HD1 LEU 19 5.841 -8.135 -1.141 142 1HD2 LEU 19 1HD2 LEU 19 5.544 -6.383 -4.209 143 2HD2 LEU 19 2HD2 LEU 19 7.099 -7.143 -3.875 144 3HD2 LEU 19 3HD2 LEU 19 6.179 -6.405 -2.564 145 HA PRO 20 HA PRO 20 9.777 -10.868 -7.009 146 1HB PRO 20 2HB PRO 20 11.533 -8.732 -6.446 147 2HB PRO 20 1HB PRO 20 10.621 -8.986 -7.941 148 1HG PRO 20 2HG PRO 20 10.260 -6.916 -6.057 149 2HG PRO 20 1HG PRO 20 9.238 -7.277 -7.448 150 1HD PRO 20 2HD PRO 20 8.802 -7.897 -4.590 151 2HD PRO 20 1HD PRO 20 7.620 -7.741 -5.908 152 H TRP 21 HN TRP 21 9.896 -9.376 -3.788 153 HA TRP 21 HA TRP 21 12.057 -11.322 -3.077 154 1HB TRP 21 2HB TRP 21 12.657 -9.669 -1.284 155 2HB TRP 21 1HB TRP 21 12.867 -9.036 -2.917 156 HD1 TRP 21 HD1 TRP 21 10.385 -8.911 0.020 157 HE1 TRP 21 HE1 TRP 21 9.002 -6.745 -0.173 158 HE3 TRP 21 HE3 TRP 21 12.124 -7.151 -4.446 159 HZ2 TRP 21 HZ2 TRP 21 8.676 -4.555 -1.982 160 HZ3 TRP 21 HZ3 TRP 21 11.259 -5.024 -5.380 161 HH2 TRP 21 HH2 TRP 21 9.540 -3.729 -4.155 162 H HIS 22 HN HIS 22 11.726 -12.601 -1.279 163 HA HIS 22 HA HIS 22 9.018 -12.492 -0.061 164 1HB HIS 22 2HB HIS 22 10.206 -14.639 -1.003 165 2HB HIS 22 1HB HIS 22 11.064 -14.616 0.538 166 HD1 HIS 22 HD1 HIS 22 9.859 -16.624 1.583 167 HD2 HIS 22 HD2 HIS 22 7.242 -13.646 0.296 168 HE1 HIS 22 HE1 HIS 22 7.580 -17.222 2.513 169 H LEU 23 HN LEU 23 9.123 -10.907 1.533 170 HA LEU 23 HA LEU 23 11.215 -11.300 3.636 171 1HB LEU 23 2HB LEU 23 11.459 -9.190 2.236 172 2HB LEU 23 1HB LEU 23 9.926 -8.655 2.922 173 HG LEU 23 HG LEU 23 10.982 -9.078 5.221 174 1HD1 LEU 23 1HD1 LEU 23 13.349 -9.254 5.378 175 2HD1 LEU 23 2HD1 LEU 23 13.568 -8.867 3.671 176 3HD1 LEU 23 3HD1 LEU 23 12.888 -10.424 4.141 177 1HD2 LEU 23 1HD2 LEU 23 11.067 -6.855 3.476 178 2HD2 LEU 23 2HD2 LEU 23 12.669 -6.947 4.204 179 3HD2 LEU 23 3HD2 LEU 23 11.241 -6.831 5.231 180 HA PRO 24 HA PRO 24 7.377 -12.134 5.909 181 1HB PRO 24 2HB PRO 24 8.957 -12.846 8.181 182 2HB PRO 24 1HB PRO 24 8.099 -13.927 7.076 183 1HG PRO 24 2HG PRO 24 10.907 -13.556 7.325 184 2HG PRO 24 1HG PRO 24 10.043 -14.592 6.182 185 1HD PRO 24 2HD PRO 24 11.401 -12.094 5.674 186 2HD PRO 24 1HD PRO 24 10.656 -13.204 4.515 187 H ASP 25 HN ASP 25 10.213 -10.359 7.091 188 HA ASP 25 HA ASP 25 8.883 -9.063 9.285 189 1HB ASP 25 2HB ASP 25 11.450 -9.226 8.609 190 2HB ASP 25 1HB ASP 25 11.099 -7.692 7.812 191 H ASP 26 HN ASP 26 9.029 -8.422 5.841 192 HA ASP 26 HA ASP 26 8.052 -5.695 6.023 193 1HB ASP 26 2HB ASP 26 9.263 -6.371 4.038 194 2HB ASP 26 1HB ASP 26 8.127 -7.683 3.734 195 H LEU 27 HN LEU 27 6.523 -8.878 5.449 196 HA LEU 27 HA LEU 27 3.894 -7.988 4.932 197 1HB LEU 27 2HB LEU 27 4.922 -10.455 6.354 198 2HB LEU 27 1HB LEU 27 3.212 -10.204 6.000 199 HG LEU 27 HG LEU 27 5.261 -9.928 3.814 200 1HD1 LEU 27 1HD1 LEU 27 4.030 -12.486 4.875 201 2HD1 LEU 27 2HD1 LEU 27 5.747 -12.108 4.730 202 3HD1 LEU 27 3HD1 LEU 27 4.772 -12.351 3.281 203 1HD2 LEU 27 1HD2 LEU 27 2.566 -9.480 3.908 204 2HD2 LEU 27 2HD2 LEU 27 2.604 -11.165 3.388 205 3HD2 LEU 27 3HD2 LEU 27 3.435 -9.931 2.441 206 H HIS 28 HN HIS 28 5.398 -8.781 8.085 207 HA HIS 28 HA HIS 28 3.196 -8.141 9.738 208 1HB HIS 28 2HB HIS 28 6.150 -7.696 10.283 209 2HB HIS 28 1HB HIS 28 4.881 -7.712 11.508 210 HD1 HIS 28 HD1 HIS 28 3.245 -10.100 10.925 211 HD2 HIS 28 HD2 HIS 28 7.379 -10.160 10.394 212 HE1 HIS 28 HE1 HIS 28 3.940 -12.535 10.987 213 H TYR 29 HN TYR 29 5.624 -6.060 8.232 214 HA TYR 29 HA TYR 29 4.909 -3.622 9.558 215 1HB TYR 29 2HB TYR 29 6.979 -3.969 8.179 216 2HB TYR 29 1HB TYR 29 5.968 -3.963 6.735 217 HD1 TYR 29 HD1 TYR 29 6.845 -1.914 9.738 218 HD2 TYR 29 HD2 TYR 29 5.365 -1.935 5.706 219 HE1 TYR 29 HE1 TYR 29 6.914 0.564 9.700 220 HE2 TYR 29 HE2 TYR 29 5.433 0.543 5.668 221 HH TYR 29 HH TYR 29 5.458 2.406 7.166 222 H PHE 30 HN PHE 30 3.671 -5.251 6.676 223 HA PHE 30 HA PHE 30 1.922 -3.129 5.823 224 1HB PHE 30 2HB PHE 30 2.629 -5.068 4.395 225 2HB PHE 30 1HB PHE 30 1.592 -6.109 5.370 226 HD1 PHE 30 HD1 PHE 30 1.235 -2.683 3.860 227 HD2 PHE 30 HD2 PHE 30 -0.400 -6.628 4.294 228 HE1 PHE 30 HE1 PHE 30 -0.719 -2.026 2.481 229 HE2 PHE 30 HE2 PHE 30 -2.353 -5.975 2.914 230 HZ PHE 30 HZ PHE 30 -2.513 -3.672 2.007 231 H ARG 31 HN ARG 31 1.330 -6.091 7.744 232 HA ARG 31 HA ARG 31 -1.439 -5.585 8.225 233 1HB ARG 31 2HB ARG 31 -0.043 -7.733 8.643 234 2HB ARG 31 1HB ARG 31 0.368 -6.991 10.188 235 1HG ARG 31 2HG ARG 31 -1.977 -6.839 10.801 236 2HG ARG 31 1HG ARG 31 -2.468 -7.415 9.208 237 1HD ARG 31 2HD ARG 31 -2.567 -9.277 10.773 238 2HD ARG 31 1HD ARG 31 -1.232 -9.547 9.652 239 HE ARG 31 HE ARG 31 -0.379 -8.167 12.063 240 1HH1 ARG 31 1HH2 ARG 31 -1.137 -11.244 10.644 241 2HH1 ARG 31 2HH2 ARG 31 -0.120 -12.127 11.730 242 1HH2 ARG 31 1HH1 ARG 31 0.939 -9.328 13.470 243 2HH2 ARG 31 2HH1 ARG 31 1.050 -11.050 13.321 244 H ALA 32 HN ALA 32 1.243 -5.240 10.564 245 HA ALA 32 HA ALA 32 -0.071 -3.855 12.575 246 1HB ALA 32 1HB ALA 32 2.005 -3.410 13.430 247 2HB ALA 32 2HB ALA 32 2.630 -2.822 11.889 248 3HB ALA 32 3HB ALA 32 2.497 -4.556 12.183 249 H GLN 33 HN GLN 33 1.256 -2.455 9.574 250 HA GLN 33 HA GLN 33 0.698 0.274 10.337 251 1HB GLN 33 2HB GLN 33 1.417 -1.123 7.779 252 2HB GLN 33 1HB GLN 33 0.895 0.560 7.741 253 1HG GLN 33 2HG GLN 33 2.844 0.064 9.861 254 2HG GLN 33 1HG GLN 33 3.480 -0.332 8.265 255 1HE2 GLN 33 1HE2 GLN 33 1.448 2.290 9.713 256 2HE2 GLN 33 2HE2 GLN 33 2.247 3.549 8.902 257 H THR 34 HN THR 34 -1.315 -2.269 9.146 258 HA THR 34 HA THR 34 -3.415 -0.234 8.496 259 HB THR 34 HB THR 34 -4.444 -2.057 7.078 260 HG1 THR 34 HG1 THR 34 -2.556 -3.486 8.244 261 1HG2 THR 34 1HG2 THR 34 -2.085 -0.445 6.573 262 2HG2 THR 34 2HG2 THR 34 -3.452 -0.786 5.512 263 3HG2 THR 34 3HG2 THR 34 -2.085 -1.899 5.575 264 H VAL 35 HN VAL 35 -2.739 -1.515 11.125 265 HA VAL 35 HA VAL 35 -4.924 -3.385 11.651 266 HB VAL 35 HB VAL 35 -4.200 -3.172 14.019 267 1HG1 VAL 35 1HG1 VAL 35 -3.054 -4.714 12.415 268 2HG1 VAL 35 2HG1 VAL 35 -1.997 -4.158 13.712 269 3HG1 VAL 35 3HG1 VAL 35 -1.870 -3.448 12.103 270 1HG2 VAL 35 1HG2 VAL 35 -2.980 -0.750 12.939 271 2HG2 VAL 35 2HG2 VAL 35 -1.807 -1.736 13.813 272 3HG2 VAL 35 3HG2 VAL 35 -3.279 -1.196 14.619 273 H GLY 36 HN GLY 36 -6.988 -2.650 11.738 274 1HA GLY 36 2HA GLY 36 -8.817 -1.391 12.517 275 2HA GLY 36 1HA GLY 36 -7.701 -0.478 13.529 276 H LYS 37 HN LYS 37 -6.745 -0.584 10.235 277 HA LYS 37 HA LYS 37 -7.853 2.172 9.853 278 1HB LYS 37 2HB LYS 37 -5.267 0.924 8.891 279 2HB LYS 37 1HB LYS 37 -5.870 2.477 8.311 280 1HG LYS 37 2HG LYS 37 -5.849 3.372 10.589 281 2HG LYS 37 1HG LYS 37 -5.327 1.809 11.219 282 1HD LYS 37 2HD LYS 37 -3.361 2.088 9.494 283 2HD LYS 37 1HD LYS 37 -3.783 3.799 9.584 284 1HE LYS 37 2HE LYS 37 -3.425 2.214 12.113 285 2HE LYS 37 1HE LYS 37 -2.013 2.836 11.259 286 1HZ LYS 37 1HE LYS 37 -2.628 4.997 11.621 287 2HZ LYS 37 2HE LYS 37 -3.193 4.273 13.051 288 3HZ LYS 37 3HE LYS 37 -4.276 4.632 11.791 289 H ILE 38 HN ILE 38 -8.158 2.744 7.469 290 HA ILE 38 HA ILE 38 -9.643 0.575 6.158 291 HB ILE 38 HB ILE 38 -9.064 3.383 5.165 292 1HG1 ILE 38 2HG1 ILE 38 -11.467 2.313 6.683 293 2HG1 ILE 38 1HG1 ILE 38 -10.241 3.395 7.344 294 1HG2 ILE 38 1HG2 ILE 38 -11.546 2.387 4.245 295 2HG2 ILE 38 2HG2 ILE 38 -10.377 1.088 4.011 296 3HG2 ILE 38 3HG2 ILE 38 -10.088 2.673 3.295 297 1HD1 ILE 38 1HD1 ILE 38 -12.175 3.979 5.091 298 2HD1 ILE 38 2HD1 ILE 38 -10.801 5.012 5.477 299 3HD1 ILE 38 3HD1 ILE 38 -12.087 4.777 6.661 300 H MET 39 HN MET 39 -8.632 -0.840 4.794 301 HA MET 39 HA MET 39 -6.052 0.001 3.563 302 1HB MET 39 2HB MET 39 -6.260 -2.177 4.890 303 2HB MET 39 1HB MET 39 -7.244 -2.779 3.556 304 1HG MET 39 2HG MET 39 -5.240 -1.935 2.074 305 2HG MET 39 1HG MET 39 -4.330 -2.054 3.580 306 1HE MET 39 1HE MET 39 -6.470 -5.299 1.218 307 2HE MET 39 2HE MET 39 -6.729 -3.557 1.226 308 3HE MET 39 3HE MET 39 -7.409 -4.545 2.511 309 H VAL 40 HN VAL 40 -6.479 1.022 1.637 310 HA VAL 40 HA VAL 40 -8.694 0.077 -0.062 311 HB VAL 40 HB VAL 40 -6.709 2.315 -0.552 312 1HG1 VAL 40 1HG1 VAL 40 -9.109 1.253 -1.938 313 2HG1 VAL 40 2HG1 VAL 40 -7.711 2.101 -2.598 314 3HG1 VAL 40 3HG1 VAL 40 -9.002 3.009 -1.812 315 1HG2 VAL 40 1HG2 VAL 40 -8.378 3.806 0.386 316 2HG2 VAL 40 2HG2 VAL 40 -8.040 2.549 1.576 317 3HG2 VAL 40 3HG2 VAL 40 -9.510 2.471 0.604 318 H VAL 41 HN VAL 41 -8.349 -1.505 -1.501 319 HA VAL 41 HA VAL 41 -5.638 -1.740 -2.742 320 HB VAL 41 HB VAL 41 -6.272 -4.200 -3.033 321 1HG1 VAL 41 1HG1 VAL 41 -5.830 -4.682 -0.545 322 2HG1 VAL 41 2HG1 VAL 41 -5.802 -2.931 -0.337 323 3HG1 VAL 41 3HG1 VAL 41 -4.630 -3.711 -1.398 324 1HG2 VAL 41 1HG2 VAL 41 -8.346 -3.413 -0.960 325 2HG2 VAL 41 2HG2 VAL 41 -7.984 -5.060 -1.477 326 3HG2 VAL 41 3HG2 VAL 41 -8.693 -3.914 -2.615 327 H GLY 42 HN GLY 42 -5.992 -3.267 -4.819 328 1HA GLY 42 2HA GLY 42 -8.241 -2.049 -6.373 329 2HA GLY 42 1HA GLY 42 -6.672 -2.433 -7.080 330 H ARG 43 HN ARG 43 -9.424 -3.466 -7.747 331 HA ARG 43 HA ARG 43 -10.010 -6.030 -6.907 332 1HB ARG 43 2HB ARG 43 -11.159 -4.638 -8.731 333 2HB ARG 43 1HB ARG 43 -9.987 -5.342 -9.846 334 1HG ARG 43 2HG ARG 43 -11.118 -7.416 -8.180 335 2HG ARG 43 1HG ARG 43 -12.410 -6.501 -8.956 336 1HD ARG 43 2HD ARG 43 -10.015 -7.610 -10.445 337 2HD ARG 43 1HD ARG 43 -11.564 -8.446 -10.322 338 HE ARG 43 HE ARG 43 -11.948 -5.761 -11.283 339 1HH1 ARG 43 1HH2 ARG 43 -10.855 -8.926 -12.192 340 2HH1 ARG 43 2HH2 ARG 43 -11.212 -8.696 -13.869 341 1HH2 ARG 43 1HH1 ARG 43 -12.415 -5.475 -13.463 342 2HH2 ARG 43 2HH1 ARG 43 -12.098 -6.755 -14.586 343 H ARG 44 HN ARG 44 -7.196 -5.092 -8.792 344 HA ARG 44 HA ARG 44 -6.586 -7.812 -9.643 345 1HB ARG 44 2HB ARG 44 -4.983 -5.246 -9.590 346 2HB ARG 44 1HB ARG 44 -4.319 -6.773 -10.169 347 1HG ARG 44 2HG ARG 44 -6.961 -5.988 -11.276 348 2HG ARG 44 1HG ARG 44 -5.583 -5.013 -11.787 349 1HD ARG 44 2HD ARG 44 -4.448 -6.895 -12.692 350 2HD ARG 44 1HD ARG 44 -5.515 -8.032 -11.867 351 HE ARG 44 HE ARG 44 -6.058 -6.722 -14.402 352 1HH1 ARG 44 1HH1 ARG 44 -7.448 -8.030 -11.504 353 2HH1 ARG 44 2HH1 ARG 44 -8.973 -8.367 -12.247 354 1HH2 ARG 44 1HH2 ARG 44 -8.048 -7.158 -15.357 355 2HH2 ARG 44 2HH2 ARG 44 -9.314 -7.875 -14.417 356 H THR 45 HN THR 45 -5.457 -5.622 -7.061 357 HA THR 45 HA THR 45 -3.581 -7.538 -5.968 358 HB THR 45 HB THR 45 -4.869 -5.359 -4.336 359 HG1 THR 45 HG1 THR 45 -2.944 -5.100 -6.398 360 1HG2 THR 45 1HG2 THR 45 -3.110 -7.024 -3.473 361 2HG2 THR 45 2HG2 THR 45 -2.772 -5.311 -3.224 362 3HG2 THR 45 3HG2 THR 45 -1.972 -6.187 -4.528 363 H TYR 46 HN TYR 46 -6.884 -6.509 -4.965 364 HA TYR 46 HA TYR 46 -7.191 -8.232 -2.763 365 1HB TYR 46 2HB TYR 46 -8.788 -6.432 -3.589 366 2HB TYR 46 1HB TYR 46 -9.367 -7.607 -4.769 367 HD1 TYR 46 HD1 TYR 46 -10.778 -9.437 -4.126 368 HD2 TYR 46 HD2 TYR 46 -9.032 -6.886 -1.143 369 HE1 TYR 46 HE1 TYR 46 -12.253 -10.441 -2.404 370 HE2 TYR 46 HE2 TYR 46 -10.507 -7.891 0.579 371 HH TYR 46 HH TYR 46 -13.199 -9.530 -0.039 372 H GLU 47 HN GLU 47 -7.568 -8.890 -6.221 373 HA GLU 47 HA GLU 47 -8.550 -11.599 -5.818 374 1HB GLU 47 2HB GLU 47 -7.625 -9.969 -8.160 375 2HB GLU 47 1HB GLU 47 -7.738 -11.721 -8.335 376 1HG GLU 47 HG2 GLU 47 -10.112 -11.201 -7.114 377 2HG GLU 47 HG1 GLU 47 -9.893 -9.710 -8.031 378 H SER 48 HN SER 48 -5.447 -10.098 -5.761 379 HA SER 48 HA SER 48 -4.069 -12.691 -6.219 380 1HB SER 48 2HB SER 48 -3.322 -10.468 -7.299 381 2HB SER 48 1HB SER 48 -2.724 -10.041 -5.699 382 HG SER 48 HG SER 48 -1.315 -11.250 -7.321 383 H PHE 49 HN PHE 49 -5.060 -10.582 -3.652 384 HA PHE 49 HA PHE 49 -3.107 -11.037 -1.677 385 1HB PHE 49 2HB PHE 49 -6.005 -10.419 -1.680 386 2HB PHE 49 1HB PHE 49 -5.395 -11.148 -0.197 387 HD1 PHE 49 HD1 PHE 49 -3.422 -10.066 0.991 388 HD2 PHE 49 HD2 PHE 49 -5.518 -8.154 -2.231 389 HE1 PHE 49 HE1 PHE 49 -2.483 -7.878 1.680 390 HE2 PHE 49 HE2 PHE 49 -4.580 -5.966 -1.543 391 HZ PHE 49 HZ PHE 49 -3.060 -5.828 0.411 392 HA PRO 50 HA PRO 50 -3.460 -15.365 -0.690 393 1HB PRO 50 2HB PRO 50 -2.532 -15.184 1.939 394 2HB PRO 50 1HB PRO 50 -1.520 -15.289 0.491 395 1HG PRO 50 2HG PRO 50 -1.815 -13.073 2.271 396 2HG PRO 50 1HG PRO 50 -0.818 -13.178 0.813 397 1HD PRO 50 2HD PRO 50 -3.428 -11.885 1.188 398 2HD PRO 50 1HD PRO 50 -2.230 -11.647 -0.097 399 H LYS 51 HN LYS 51 -4.485 -13.334 2.092 400 HA LYS 51 HA LYS 51 -6.847 -15.149 2.375 401 1HB LYS 51 2HB LYS 51 -4.794 -15.018 4.183 402 2HB LYS 51 1HB LYS 51 -5.899 -13.805 4.829 403 1HG LYS 51 2HG LYS 51 -7.749 -15.504 4.657 404 2HG LYS 51 1HG LYS 51 -6.532 -16.705 4.223 405 1HD LYS 51 2HD LYS 51 -6.076 -15.065 6.682 406 2HD LYS 51 1HD LYS 51 -7.270 -16.361 6.756 407 1HE LYS 51 2HE LYS 51 -5.210 -17.369 7.404 408 2HE LYS 51 1HE LYS 51 -5.471 -17.873 5.735 409 1HZ LYS 51 1HE LYS 51 -3.211 -16.776 6.602 410 2HZ LYS 51 2HE LYS 51 -4.030 -15.377 6.094 411 3HZ LYS 51 3HE LYS 51 -3.753 -16.648 5.000 412 H ARG 52 HN ARG 52 -8.386 -13.792 1.459 413 HA ARG 52 HA ARG 52 -8.534 -11.003 2.498 414 1HB ARG 52 2HB ARG 52 -10.027 -12.201 0.149 415 2HB ARG 52 1HB ARG 52 -9.890 -10.493 0.564 416 1HG ARG 52 2HG ARG 52 -8.092 -10.417 -0.796 417 2HG ARG 52 1HG ARG 52 -7.242 -11.372 0.419 418 1HD ARG 52 2HD ARG 52 -7.069 -12.489 -1.745 419 2HD ARG 52 1HD ARG 52 -8.090 -13.449 -0.675 420 HE ARG 52 HE ARG 52 -9.792 -11.710 -2.125 421 1HH1 ARG 52 1HH1 ARG 52 -7.608 -14.354 -2.662 422 2HH1 ARG 52 2HH1 ARG 52 -8.460 -14.929 -4.054 423 1HH2 ARG 52 1HH2 ARG 52 -10.891 -12.466 -3.938 424 2HH2 ARG 52 2HH2 ARG 52 -10.309 -13.866 -4.774 425 HA PRO 53 HA PRO 53 -9.578 -9.516 3.092 426 1HB PRO 53 2HB PRO 53 -10.840 -8.422 5.298 427 2HB PRO 53 1HB PRO 53 -11.435 -8.299 3.635 428 1HG PRO 53 2HG PRO 53 -12.591 -9.740 5.841 429 2HG PRO 53 1HG PRO 53 -13.223 -9.544 4.200 430 1HD PRO 53 2HD PRO 53 -11.813 -11.835 5.378 431 2HD PRO 53 1HD PRO 53 -12.787 -11.756 3.899 432 H LEU 54 HN LEU 54 -8.487 -8.233 5.032 433 HA LEU 54 HA LEU 54 -6.707 -10.081 6.366 434 1HB LEU 54 2HB LEU 54 -7.127 -7.098 6.560 435 2HB LEU 54 1HB LEU 54 -6.002 -7.936 7.626 436 HG LEU 54 HG LEU 54 -5.900 -8.277 4.627 437 1HD1 LEU 54 1HD1 LEU 54 -4.608 -6.396 4.356 438 2HD1 LEU 54 2HD1 LEU 54 -3.962 -6.476 5.996 439 3HD1 LEU 54 3HD1 LEU 54 -5.580 -5.831 5.717 440 1HD2 LEU 54 1HD2 LEU 54 -3.945 -8.708 6.907 441 2HD2 LEU 54 2HD2 LEU 54 -3.522 -8.861 5.202 442 3HD2 LEU 54 3HD2 LEU 54 -4.706 -9.955 5.917 443 HA PRO 55 HA PRO 55 -8.916 -10.999 10.076 444 1HB PRO 55 2HB PRO 55 -6.637 -11.121 11.756 445 2HB PRO 55 1HB PRO 55 -7.416 -12.462 10.908 446 1HG PRO 55 2HG PRO 55 -4.879 -11.248 10.366 447 2HG PRO 55 1HG PRO 55 -5.634 -12.629 9.560 448 1HD PRO 55 2HD PRO 55 -5.321 -9.945 8.573 449 2HD PRO 55 1HD PRO 55 -6.011 -11.347 7.745 450 H GLU 56 HN GLU 56 -9.963 -9.703 11.497 451 HA GLU 56 HA GLU 56 -10.498 -7.775 12.730 452 1HB GLU 56 2HB GLU 56 -7.835 -8.731 13.653 453 2HB GLU 56 1HB GLU 56 -8.347 -7.137 14.210 454 1HG GLU 56 HG2 GLU 56 -10.365 -8.029 15.167 455 2HG GLU 56 HG1 GLU 56 -10.099 -9.599 14.408 456 H ARG 57 HN ARG 57 -9.674 -7.146 10.087 457 HA ARG 57 HA ARG 57 -8.602 -4.420 10.569 458 1HB ARG 57 2HB ARG 57 -7.461 -6.434 8.624 459 2HB ARG 57 1HB ARG 57 -7.168 -4.700 8.479 460 1HG ARG 57 2HG ARG 57 -6.010 -4.603 10.534 461 2HG ARG 57 1HG ARG 57 -6.659 -6.150 11.074 462 1HD ARG 57 2HD ARG 57 -5.228 -6.465 8.577 463 2HD ARG 57 1HD ARG 57 -4.197 -5.714 9.793 464 HE ARG 57 HE ARG 57 -5.048 -8.460 9.794 465 1HH1 ARG 57 1HH2 ARG 57 -4.509 -5.728 11.862 466 2HH1 ARG 57 2HH2 ARG 57 -4.135 -6.698 13.245 467 1HH2 ARG 57 1HH1 ARG 57 -4.571 -9.713 11.601 468 2HH2 ARG 57 2HH1 ARG 57 -4.171 -8.942 13.100 469 H THR 58 HN THR 58 -9.449 -2.872 9.162 470 HA THR 58 HA THR 58 -11.780 -3.743 7.579 471 HB THR 58 HB THR 58 -10.760 -0.911 7.866 472 HG1 THR 58 HG1 THR 58 -12.542 -2.275 9.596 473 1HG2 THR 58 1HG2 THR 58 -13.602 -1.909 7.703 474 2HG2 THR 58 2HG2 THR 58 -12.641 -1.632 6.251 475 3HG2 THR 58 3HG2 THR 58 -12.983 -0.296 7.349 476 H ASN 59 HN ASN 59 -11.593 -4.178 5.453 477 HA ASN 59 HA ASN 59 -9.359 -2.886 3.931 478 1HB ASN 59 2HB ASN 59 -10.631 -5.591 3.417 479 2HB ASN 59 1HB ASN 59 -9.241 -4.908 2.576 480 1HD2 ASN 59 1HD2 ASN 59 -10.268 -5.693 5.953 481 2HD2 ASN 59 2HD2 ASN 59 -8.730 -6.198 6.455 482 H VAL 60 HN VAL 60 -9.940 -1.857 1.988 483 HA VAL 60 HA VAL 60 -12.789 -2.146 1.141 484 HB VAL 60 HB VAL 60 -11.011 0.295 0.819 485 1HG1 VAL 60 1HG1 VAL 60 -14.017 0.054 0.585 486 2HG1 VAL 60 2HG1 VAL 60 -12.936 -0.121 -0.797 487 3HG1 VAL 60 3HG1 VAL 60 -12.999 1.405 0.085 488 1HG2 VAL 60 1HG2 VAL 60 -11.591 -0.253 3.223 489 2HG2 VAL 60 2HG2 VAL 60 -13.289 -0.082 2.782 490 3HG2 VAL 60 3HG2 VAL 60 -12.206 1.299 2.656 491 H VAL 61 HN VAL 61 -12.993 -2.830 -0.989 492 HA VAL 61 HA VAL 61 -10.470 -3.020 -2.562 493 HB VAL 61 HB VAL 61 -13.100 -4.371 -3.198 494 1HG1 VAL 61 1HG1 VAL 61 -11.734 -5.855 -4.499 495 2HG1 VAL 61 2HG1 VAL 61 -10.253 -5.202 -3.800 496 3HG1 VAL 61 3HG1 VAL 61 -11.216 -4.217 -4.898 497 1HG2 VAL 61 1HG2 VAL 61 -12.435 -4.976 -0.890 498 2HG2 VAL 61 2HG2 VAL 61 -10.827 -5.410 -1.470 499 3HG2 VAL 61 3HG2 VAL 61 -12.231 -6.344 -1.985 500 H LEU 62 HN LEU 62 -10.472 -2.377 -4.801 501 HA LEU 62 HA LEU 62 -12.656 -0.445 -5.486 502 1HB LEU 62 2HB LEU 62 -9.736 -0.171 -5.498 503 2HB LEU 62 1HB LEU 62 -10.469 0.268 -7.042 504 HG LEU 62 HG LEU 62 -12.176 1.591 -5.572 505 1HD1 LEU 62 1HD1 LEU 62 -11.474 2.210 -3.408 506 2HD1 LEU 62 2HD1 LEU 62 -9.821 1.676 -3.699 507 3HD1 LEU 62 3HD1 LEU 62 -11.104 0.486 -3.480 508 1HD2 LEU 62 1HD2 LEU 62 -9.658 2.235 -6.770 509 2HD2 LEU 62 2HD2 LEU 62 -9.793 3.159 -5.275 510 3HD2 LEU 62 3HD2 LEU 62 -11.041 3.298 -6.512 511 H THR 63 HN THR 63 -13.792 -1.018 -7.283 512 HA THR 63 HA THR 63 -12.402 -2.524 -9.431 513 HB THR 63 HB THR 63 -13.367 -4.232 -7.900 514 HG1 THR 63 HG1 THR 63 -13.319 -4.462 -10.241 515 1HG2 THR 63 1HG2 THR 63 -15.447 -4.039 -7.045 516 2HG2 THR 63 2HG2 THR 63 -16.142 -3.726 -8.634 517 3HG2 THR 63 3HG2 THR 63 -15.461 -2.400 -7.692 518 H HIS 64 HN HIS 64 -13.637 -2.547 -11.442 519 HA HIS 64 HA HIS 64 -15.364 -0.147 -11.681 520 1HB HIS 64 2HB HIS 64 -13.545 -1.641 -13.454 521 2HB HIS 64 1HB HIS 64 -15.048 -1.144 -14.231 522 HD1 HIS 64 HD1 HIS 64 -15.669 1.521 -13.750 523 HD2 HIS 64 HD2 HIS 64 -11.675 0.388 -13.378 524 HE1 HIS 64 HE1 HIS 64 -14.305 3.650 -13.888 525 H GLN 65 HN GLN 65 -15.884 -3.320 -10.996 526 HA GLN 65 HA GLN 65 -18.017 -3.921 -12.883 527 1HB GLN 65 2HB GLN 65 -16.884 -5.189 -10.422 528 2HB GLN 65 1HB GLN 65 -18.512 -5.655 -10.918 529 1HG GLN 65 2HG GLN 65 -16.879 -7.159 -11.948 530 2HG GLN 65 1HG GLN 65 -17.640 -6.169 -13.194 531 1HE2 GLN 65 1HE2 GLN 65 -14.772 -6.005 -11.000 532 2HE2 GLN 65 2HE2 GLN 65 -13.745 -5.310 -12.159 533 H GLU 66 HN GLU 66 -20.246 -4.559 -11.759 534 HA GLU 66 HA GLU 66 -21.037 -2.224 -10.062 535 1HB GLU 66 2HB GLU 66 -22.432 -3.635 -12.325 536 2HB GLU 66 1HB GLU 66 -23.368 -2.766 -11.109 537 1HG GLU 66 HG2 GLU 66 -21.025 -1.326 -12.234 538 2HG GLU 66 HG1 GLU 66 -22.388 -1.572 -13.327 539 H ASP 67 HN ASP 67 -21.205 -5.701 -10.491 540 HA ASP 67 HA ASP 67 -22.909 -5.879 -8.044 541 1HB ASP 67 2HB ASP 67 -22.478 -7.724 -10.384 542 2HB ASP 67 1HB ASP 67 -23.100 -8.344 -8.854 543 H TYR 68 HN TYR 68 -20.068 -5.327 -7.852 544 HA TYR 68 HA TYR 68 -18.519 -7.676 -7.353 545 1HB TYR 68 2HB TYR 68 -17.820 -5.146 -7.434 546 2HB TYR 68 1HB TYR 68 -18.178 -5.180 -5.708 547 HD1 TYR 68 HD1 TYR 68 -16.170 -6.834 -8.377 548 HD2 TYR 68 HD2 TYR 68 -16.665 -6.166 -4.163 549 HE1 TYR 68 HE1 TYR 68 -13.977 -7.908 -7.950 550 HE2 TYR 68 HE2 TYR 68 -14.471 -7.241 -3.736 551 HH TYR 68 HH TYR 68 -12.174 -7.604 -5.790 552 H GLN 69 HN GLN 69 -19.006 -9.238 -5.884 553 HA GLN 69 HA GLN 69 -20.616 -8.481 -3.495 554 1HB GLN 69 2HB GLN 69 -20.015 -11.196 -4.705 555 2HB GLN 69 1HB GLN 69 -21.014 -10.926 -3.276 556 1HG GLN 69 2HG GLN 69 -21.617 -9.509 -5.867 557 2HG GLN 69 1HG GLN 69 -22.208 -11.144 -5.574 558 1HE2 GLN 69 1HE2 GLN 69 -22.838 -7.818 -4.967 559 2HE2 GLN 69 2HE2 GLN 69 -24.071 -8.028 -3.819 560 H ALA 70 HN ALA 70 -19.295 -7.921 -1.825 561 HA ALA 70 HA ALA 70 -17.114 -9.831 -1.118 562 1HB ALA 70 1HB ALA 70 -16.511 -7.427 -2.182 563 2HB ALA 70 2HB ALA 70 -15.514 -8.192 -0.944 564 3HB ALA 70 3HB ALA 70 -16.685 -6.953 -0.492 565 H GLN 71 HN GLN 71 -18.745 -10.653 0.397 566 HA GLN 71 HA GLN 71 -19.881 -8.934 2.432 567 1HB GLN 71 2HB GLN 71 -19.671 -11.905 2.024 568 2HB GLN 71 1HB GLN 71 -20.199 -11.274 3.584 569 1HG GLN 71 2HG GLN 71 -21.574 -9.858 1.489 570 2HG GLN 71 1HG GLN 71 -21.754 -11.593 1.226 571 1HE2 GLN 71 1HE2 GLN 71 -22.505 -12.878 3.215 572 2HE2 GLN 71 2HE2 GLN 71 -23.566 -12.112 4.296 573 H GLY 72 HN GLY 72 -18.883 -8.187 4.231 574 1HA GLY 72 2HA GLY 72 -17.527 -8.572 6.228 575 2HA GLY 72 1HA GLY 72 -16.551 -9.708 5.295 576 H ALA 73 HN ALA 73 -16.233 -8.027 2.951 577 HA ALA 73 HA ALA 73 -14.385 -6.001 4.121 578 1HB ALA 73 1HB ALA 73 -13.611 -6.236 1.516 579 2HB ALA 73 2HB ALA 73 -14.227 -7.859 1.824 580 3HB ALA 73 3HB ALA 73 -12.937 -7.201 2.830 581 H VAL 74 HN VAL 74 -14.505 -3.900 3.437 582 HA VAL 74 HA VAL 74 -16.978 -2.872 2.427 583 HB VAL 74 HB VAL 74 -14.283 -1.502 2.276 584 1HG1 VAL 74 1HG1 VAL 74 -17.159 -0.583 2.332 585 2HG1 VAL 74 2HG1 VAL 74 -15.909 -0.193 1.150 586 3HG1 VAL 74 3HG1 VAL 74 -15.837 0.498 2.771 587 1HG2 VAL 74 1HG2 VAL 74 -16.185 -1.914 4.590 588 2HG2 VAL 74 2HG2 VAL 74 -15.022 -0.589 4.561 589 3HG2 VAL 74 3HG2 VAL 74 -14.457 -2.259 4.530 590 H VAL 75 HN VAL 75 -17.277 -1.721 0.290 591 HA VAL 75 HA VAL 75 -15.450 -2.644 -1.855 592 HB VAL 75 HB VAL 75 -18.459 -3.061 -1.889 593 1HG1 VAL 75 1HG1 VAL 75 -17.568 -2.540 -4.103 594 2HG1 VAL 75 2HG1 VAL 75 -17.965 -4.256 -4.019 595 3HG1 VAL 75 3HG1 VAL 75 -16.286 -3.732 -3.894 596 1HG2 VAL 75 1HG2 VAL 75 -17.842 -5.480 -1.939 597 2HG2 VAL 75 2HG2 VAL 75 -17.361 -4.694 -0.435 598 3HG2 VAL 75 3HG2 VAL 75 -16.157 -5.027 -1.681 599 H VAL 76 HN VAL 76 -15.078 -0.923 -3.224 600 HA VAL 76 HA VAL 76 -17.201 1.162 -3.444 601 HB VAL 76 HB VAL 76 -15.411 2.903 -3.356 602 1HG1 VAL 76 1HG1 VAL 76 -16.657 2.512 -1.333 603 2HG1 VAL 76 2HG1 VAL 76 -14.959 2.637 -0.876 604 3HG1 VAL 76 3HG1 VAL 76 -15.730 1.055 -0.977 605 1HG2 VAL 76 1HG2 VAL 76 -13.203 2.201 -2.414 606 2HG2 VAL 76 2HG2 VAL 76 -13.508 1.515 -4.010 607 3HG2 VAL 76 3HG2 VAL 76 -13.706 0.519 -2.569 608 H HIS 77 HN HIS 77 -17.215 2.269 -5.468 609 HA HIS 77 HA HIS 77 -15.400 1.118 -7.549 610 1HB HIS 77 2HB HIS 77 -18.270 1.958 -8.022 611 2HB HIS 77 1HB HIS 77 -17.221 1.045 -9.106 612 HD1 HIS 77 HD1 HIS 77 -16.876 -1.464 -8.611 613 HD2 HIS 77 HD2 HIS 77 -19.373 0.435 -5.868 614 HE1 HIS 77 HE1 HIS 77 -17.954 -3.294 -7.237 615 H ASP 78 HN ASP 78 -15.309 3.677 -5.935 616 HA ASP 78 HA ASP 78 -14.656 5.433 -8.136 617 1HB ASP 78 2HB ASP 78 -17.329 5.469 -7.525 618 2HB ASP 78 1HB ASP 78 -16.715 6.761 -6.493 619 H VAL 79 HN VAL 79 -12.811 6.246 -7.318 620 HA VAL 79 HA VAL 79 -11.844 6.312 -4.754 621 HB VAL 79 HB VAL 79 -11.536 8.454 -6.876 622 1HG1 VAL 79 1HG1 VAL 79 -9.305 8.775 -5.550 623 2HG1 VAL 79 2HG1 VAL 79 -10.196 8.043 -4.214 624 3HG1 VAL 79 3HG1 VAL 79 -10.776 9.538 -4.946 625 1HG2 VAL 79 1HG2 VAL 79 -10.227 5.836 -6.250 626 2HG2 VAL 79 2HG2 VAL 79 -9.223 7.132 -6.902 627 3HG2 VAL 79 3HG2 VAL 79 -10.614 6.550 -7.816 628 H ALA 80 HN ALA 80 -14.159 8.626 -6.114 629 HA ALA 80 HA ALA 80 -14.122 10.553 -4.027 630 1HB ALA 80 1HB ALA 80 -16.014 11.427 -5.020 631 2HB ALA 80 2HB ALA 80 -16.732 9.839 -5.291 632 3HB ALA 80 3HB ALA 80 -15.440 10.414 -6.345 633 H ALA 81 HN ALA 81 -15.919 7.502 -4.317 634 HA ALA 81 HA ALA 81 -17.497 7.839 -1.945 635 1HB ALA 81 1HB ALA 81 -18.219 5.676 -2.324 636 2HB ALA 81 2HB ALA 81 -16.615 5.112 -2.793 637 3HB ALA 81 3HB ALA 81 -17.585 6.053 -3.926 638 H VAL 82 HN VAL 82 -14.375 6.179 -2.515 639 HA VAL 82 HA VAL 82 -13.969 5.182 0.092 640 HB VAL 82 HB VAL 82 -11.693 6.383 -1.478 641 1HG1 VAL 82 1HG1 VAL 82 -10.937 3.904 -0.691 642 2HG1 VAL 82 2HG1 VAL 82 -12.121 4.269 0.564 643 3HG1 VAL 82 3HG1 VAL 82 -10.739 5.335 0.319 644 1HG2 VAL 82 1HG2 VAL 82 -11.767 3.953 -2.558 645 2HG2 VAL 82 2HG2 VAL 82 -12.673 5.288 -3.271 646 3HG2 VAL 82 3HG2 VAL 82 -13.495 4.116 -2.241 647 H PHE 83 HN PHE 83 -13.307 8.427 -1.196 648 HA PHE 83 HA PHE 83 -11.964 9.457 1.097 649 1HB PHE 83 2HB PHE 83 -13.524 10.687 -1.159 650 2HB PHE 83 1HB PHE 83 -13.006 11.694 0.193 651 HD1 PHE 83 HD1 PHE 83 -12.080 10.637 -2.981 652 HD2 PHE 83 HD2 PHE 83 -10.450 11.104 0.964 653 HE1 PHE 83 HE1 PHE 83 -9.794 10.757 -3.936 654 HE2 PHE 83 HE2 PHE 83 -8.168 11.224 0.005 655 HZ PHE 83 HZ PHE 83 -7.842 11.045 -2.442 656 H ALA 84 HN ALA 84 -15.411 9.188 0.318 657 HA ALA 84 HA ALA 84 -16.441 10.800 2.414 658 1HB ALA 84 1HB ALA 84 -17.918 8.302 1.778 659 2HB ALA 84 2HB ALA 84 -17.578 9.374 0.419 660 3HB ALA 84 3HB ALA 84 -18.486 9.971 1.808 661 H TYR 85 HN TYR 85 -16.116 7.221 2.434 662 HA TYR 85 HA TYR 85 -16.814 6.711 5.065 663 1HB TYR 85 2HB TYR 85 -15.936 5.139 3.129 664 2HB TYR 85 1HB TYR 85 -14.402 5.308 3.982 665 HD1 TYR 85 HD1 TYR 85 -18.022 4.562 4.618 666 HD2 TYR 85 HD2 TYR 85 -13.948 3.932 5.819 667 HE1 TYR 85 HE1 TYR 85 -18.774 2.909 6.308 668 HE2 TYR 85 HE2 TYR 85 -14.698 2.280 7.507 669 HH TYR 85 HH TYR 85 -16.570 0.846 7.967 670 H ALA 86 HN ALA 86 -13.452 7.421 3.993 671 HA ALA 86 HA ALA 86 -12.230 7.378 6.523 672 1HB ALA 86 1HB ALA 86 -10.459 7.945 5.259 673 2HB ALA 86 2HB ALA 86 -11.129 9.558 5.014 674 3HB ALA 86 3HB ALA 86 -11.543 8.252 3.903 675 H LYS 87 HN LYS 87 -13.810 10.139 4.903 676 HA LYS 87 HA LYS 87 -13.349 12.025 7.007 677 1HB LYS 87 2HB LYS 87 -14.254 12.334 4.545 678 2HB LYS 87 1HB LYS 87 -15.827 12.136 5.318 679 1HG LYS 87 2HG LYS 87 -14.563 13.898 7.020 680 2HG LYS 87 1HG LYS 87 -13.950 14.398 5.444 681 1HD LYS 87 2HD LYS 87 -16.794 13.844 5.295 682 2HD LYS 87 1HD LYS 87 -16.459 15.029 6.557 683 1HE LYS 87 2HE LYS 87 -16.627 16.417 4.702 684 2HE LYS 87 1HE LYS 87 -14.894 16.091 4.709 685 1HZ LYS 87 1HE LYS 87 -16.984 14.973 2.965 686 2HZ LYS 87 2HE LYS 87 -15.560 14.090 3.249 687 3HZ LYS 87 3HE LYS 87 -15.480 15.635 2.546 688 H GLN 88 HN GLN 88 -15.609 9.412 6.668 689 HA GLN 88 HA GLN 88 -17.407 10.457 8.749 690 1HB GLN 88 2HB GLN 88 -17.648 8.594 6.644 691 2HB GLN 88 1HB GLN 88 -17.839 7.666 8.131 692 1HG GLN 88 2HG GLN 88 -19.765 8.766 8.735 693 2HG GLN 88 1HG GLN 88 -19.259 10.281 7.987 694 1HE2 GLN 88 1HE2 GLN 88 -19.168 10.159 5.457 695 2HE2 GLN 88 2HE2 GLN 88 -20.412 9.286 4.700 696 H HIS 89 HN HIS 89 -14.929 7.882 8.477 697 HA HIS 89 HA HIS 89 -15.430 7.066 11.256 698 1HB HIS 89 2HB HIS 89 -13.839 6.069 8.957 699 2HB HIS 89 1HB HIS 89 -13.191 5.721 10.560 700 HD1 HIS 89 HD1 HIS 89 -14.149 3.711 11.679 701 HD2 HIS 89 HD2 HIS 89 -16.738 5.231 8.787 702 HE1 HIS 89 HE1 HIS 89 -16.116 2.120 11.572 703 HA PRO 90 HA PRO 90 -12.260 9.990 12.660 704 1HB PRO 90 2HB PRO 90 -13.126 9.883 15.287 705 2HB PRO 90 1HB PRO 90 -13.766 10.985 14.059 706 1HG PRO 90 2HG PRO 90 -15.079 8.757 15.333 707 2HG PRO 90 1HG PRO 90 -15.753 9.940 14.203 708 1HD PRO 90 2HD PRO 90 -14.889 7.196 13.687 709 2HD PRO 90 1HD PRO 90 -15.841 8.282 12.661 710 H ASP 91 HN ASP 91 -12.360 6.769 12.839 711 HA ASP 91 HA ASP 91 -9.957 6.634 14.582 712 1HB ASP 91 2HB ASP 91 -12.410 5.738 15.482 713 2HB ASP 91 1HB ASP 91 -11.699 4.273 14.805 714 H GLN 92 HN GLN 92 -11.153 6.229 11.618 715 HA GLN 92 HA GLN 92 -9.186 4.125 10.924 716 1HB GLN 92 2HB GLN 92 -11.800 3.407 11.168 717 2HB GLN 92 1HB GLN 92 -11.799 3.986 9.503 718 1HG GLN 92 2HG GLN 92 -10.279 2.361 8.800 719 2HG GLN 92 1HG GLN 92 -9.634 2.128 10.417 720 1HE2 GLN 92 1HE2 GLN 92 -12.638 1.602 8.513 721 2HE2 GLN 92 2HE2 GLN 92 -13.130 0.233 9.386 722 H GLU 93 HN GLU 93 -7.892 5.647 9.751 723 HA GLU 93 HA GLU 93 -9.193 7.597 8.019 724 1HB GLU 93 2HB GLU 93 -6.334 6.870 8.654 725 2HB GLU 93 1HB GLU 93 -6.721 8.006 7.364 726 1HG GLU 93 HG2 GLU 93 -8.095 8.466 9.954 727 2HG GLU 93 HG1 GLU 93 -6.358 8.772 9.931 728 H LEU 94 HN LEU 94 -7.460 7.564 5.824 729 HA LEU 94 HA LEU 94 -8.396 5.098 4.434 730 1HB LEU 94 2HB LEU 94 -8.731 7.716 3.722 731 2HB LEU 94 1HB LEU 94 -7.266 7.311 2.835 732 HG LEU 94 HG LEU 94 -8.501 5.222 2.029 733 1HD1 LEU 94 1HD1 LEU 94 -10.532 6.483 3.714 734 2HD1 LEU 94 2HD1 LEU 94 -10.483 4.849 3.054 735 3HD1 LEU 94 3HD1 LEU 94 -11.120 6.175 2.081 736 1HD2 LEU 94 1HD2 LEU 94 -10.107 7.289 0.821 737 2HD2 LEU 94 2HD2 LEU 94 -8.706 6.455 0.152 738 3HD2 LEU 94 3HD2 LEU 94 -8.485 7.914 1.117 739 H VAL 95 HN VAL 95 -6.833 3.566 4.230 740 HA VAL 95 HA VAL 95 -4.005 4.496 3.902 741 HB VAL 95 HB VAL 95 -4.953 1.814 4.962 742 1HG1 VAL 95 1HG1 VAL 95 -2.711 1.279 5.267 743 2HG1 VAL 95 2HG1 VAL 95 -2.209 2.969 5.312 744 3HG1 VAL 95 3HG1 VAL 95 -2.627 2.214 3.774 745 1HG2 VAL 95 1HG2 VAL 95 -5.521 3.437 6.621 746 2HG2 VAL 95 2HG2 VAL 95 -4.031 4.341 6.347 747 3HG2 VAL 95 3HG2 VAL 95 -3.973 2.763 7.132 748 H ILE 96 HN ILE 96 -3.203 4.133 1.900 749 HA ILE 96 HA ILE 96 -4.724 2.485 0.013 750 HB ILE 96 HB ILE 96 -2.093 3.924 -0.411 751 1HG1 ILE 96 2HG1 ILE 96 -3.853 5.480 0.364 752 2HG1 ILE 96 1HG1 ILE 96 -3.477 5.753 -1.336 753 1HG2 ILE 96 1HG2 ILE 96 -2.599 2.250 -2.116 754 2HG2 ILE 96 2HG2 ILE 96 -2.823 3.863 -2.790 755 3HG2 ILE 96 3HG2 ILE 96 -4.223 2.904 -2.310 756 1HD1 ILE 96 1HD1 ILE 96 -5.911 5.740 -0.975 757 2HD1 ILE 96 2HD1 ILE 96 -5.805 4.123 -0.279 758 3HD1 ILE 96 3HD1 ILE 96 -5.424 4.375 -1.982 759 H ALA 97 HN ALA 97 -3.945 0.615 -1.013 760 HA ALA 97 HA ALA 97 -1.476 -0.598 0.142 761 1HB ALA 97 1HB ALA 97 -4.087 -2.033 -0.410 762 2HB ALA 97 2HB ALA 97 -3.479 -1.619 1.191 763 3HB ALA 97 3HB ALA 97 -2.607 -2.780 0.189 764 H GLY 98 HN GLY 98 -3.096 0.444 -2.588 765 1HA GLY 98 2HA GLY 98 -2.111 0.379 -4.769 766 2HA GLY 98 1HA GLY 98 -1.239 -1.080 -4.313 767 H GLY 99 HN GLY 99 -3.583 -2.659 -6.485 768 1HA GLY 99 2HA GLY 99 -0.835 -2.267 -5.763 769 2HA GLY 99 1HA GLY 99 -1.422 -2.812 -7.327 770 H ALA 100 HN ALA 100 -0.185 -1.547 -8.655 771 HA ALA 100 HA ALA 100 0.524 1.173 -8.210 772 1HB ALA 100 1HB ALA 100 1.445 -0.584 -9.918 773 2HB ALA 100 2HB ALA 100 1.458 1.127 -10.348 774 3HB ALA 100 3HB ALA 100 0.199 0.067 -10.983 775 H GLN 101 HN GLN 101 -2.196 -0.208 -10.075 776 HA GLN 101 HA GLN 101 -3.137 2.194 -11.202 777 1HB GLN 101 2HB GLN 101 -4.196 -0.471 -10.711 778 2HB GLN 101 1HB GLN 101 -5.447 0.758 -10.521 779 1HG GLN 101 2HG GLN 101 -4.487 1.727 -12.749 780 2HG GLN 101 1HG GLN 101 -3.782 0.123 -12.946 781 1HE2 GLN 101 1HE2 GLN 101 -5.120 -1.321 -14.029 782 2HE2 GLN 101 2HE2 GLN 101 -6.815 -1.243 -14.068 783 H ILE 102 HN ILE 102 -3.659 0.892 -7.911 784 HA ILE 102 HA ILE 102 -5.560 2.971 -7.236 785 HB ILE 102 HB ILE 102 -3.970 1.167 -5.394 786 1HG1 ILE 102 2HG1 ILE 102 -5.143 -0.182 -7.065 787 2HG1 ILE 102 1HG1 ILE 102 -5.980 -0.310 -5.518 788 1HG2 ILE 102 1HG2 ILE 102 -6.119 1.469 -4.022 789 2HG2 ILE 102 2HG2 ILE 102 -6.484 2.815 -5.104 790 3HG2 ILE 102 3HG2 ILE 102 -5.031 2.856 -4.105 791 1HD1 ILE 102 1HD1 ILE 102 -6.857 0.994 -8.041 792 2HD1 ILE 102 2HD1 ILE 102 -7.281 1.823 -6.544 793 3HD1 ILE 102 3HD1 ILE 102 -7.812 0.164 -6.814 794 H PHE 103 HN PHE 103 -2.023 2.692 -7.035 795 HA PHE 103 HA PHE 103 -1.744 4.852 -5.120 796 1HB PHE 103 2HB PHE 103 0.196 3.606 -7.089 797 2HB PHE 103 1HB PHE 103 0.650 4.857 -5.937 798 HD1 PHE 103 HD1 PHE 103 1.371 1.714 -6.310 799 HD2 PHE 103 HD2 PHE 103 -0.999 4.022 -3.566 800 HE1 PHE 103 HE1 PHE 103 1.702 -0.017 -4.566 801 HE2 PHE 103 HE2 PHE 103 -0.668 2.288 -1.825 802 HZ PHE 103 HZ PHE 103 0.682 0.270 -2.324 803 H THR 104 HN THR 104 -2.166 4.652 -8.574 804 HA THR 104 HA THR 104 -1.160 7.333 -9.122 805 HB THR 104 HB THR 104 -3.049 5.846 -10.929 806 HG1 THR 104 HG1 THR 104 -0.394 5.285 -11.261 807 1HG2 THR 104 1HG2 THR 104 -0.931 6.817 -12.390 808 2HG2 THR 104 2HG2 THR 104 -1.069 8.017 -11.106 809 3HG2 THR 104 3HG2 THR 104 -2.454 7.669 -12.140 810 H ALA 105 HN ALA 105 -4.443 5.891 -9.027 811 HA ALA 105 HA ALA 105 -5.832 8.337 -9.500 812 1HB ALA 105 1HB ALA 105 -6.641 5.799 -9.355 813 2HB ALA 105 2HB ALA 105 -7.758 7.138 -9.086 814 3HB ALA 105 3HB ALA 105 -7.058 6.284 -7.711 815 H PHE 106 HN PHE 106 -4.434 7.008 -6.563 816 HA PHE 106 HA PHE 106 -5.748 9.134 -4.950 817 1HB PHE 106 2HB PHE 106 -4.212 6.631 -4.255 818 2HB PHE 106 1HB PHE 106 -4.565 7.864 -3.044 819 HD1 PHE 106 HD1 PHE 106 -6.870 8.344 -2.364 820 HD2 PHE 106 HD2 PHE 106 -5.991 5.289 -5.242 821 HE1 PHE 106 HE1 PHE 106 -9.157 7.432 -2.097 822 HE2 PHE 106 HE2 PHE 106 -8.275 4.376 -4.977 823 HZ PHE 106 HZ PHE 106 -9.860 5.447 -3.403 824 H LYS 107 HN LYS 107 -2.911 8.762 -6.698 825 HA LYS 107 HA LYS 107 -0.931 9.763 -4.939 826 1HB LYS 107 2HB LYS 107 0.420 10.068 -6.810 827 2HB LYS 107 1HB LYS 107 -0.727 8.866 -7.388 828 1HG LYS 107 2HG LYS 107 -2.003 10.541 -8.568 829 2HG LYS 107 1HG LYS 107 -1.078 11.846 -7.827 830 1HD LYS 107 2HD LYS 107 0.073 9.731 -9.669 831 2HD LYS 107 1HD LYS 107 -0.310 11.388 -10.138 832 1HE LYS 107 2HE LYS 107 1.221 11.984 -8.057 833 2HE LYS 107 1HE LYS 107 1.884 10.380 -8.363 834 1HZ LYS 107 1HE LYS 107 2.082 12.803 -9.948 835 2HZ LYS 107 2HE LYS 107 1.824 11.374 -10.831 836 3HZ LYS 107 3HE LYS 107 3.168 11.509 -9.801 837 H ASP 108 HN ASP 108 -3.355 11.570 -6.855 838 HA ASP 108 HA ASP 108 -2.240 14.158 -6.346 839 1HB ASP 108 2HB ASP 108 -4.166 13.305 -7.974 840 2HB ASP 108 1HB ASP 108 -5.193 13.797 -6.627 841 H ASP 109 HN ASP 109 -4.563 12.172 -4.541 842 HA ASP 109 HA ASP 109 -4.635 14.297 -2.438 843 1HB ASP 109 2HB ASP 109 -6.570 12.166 -3.294 844 2HB ASP 109 1HB ASP 109 -6.635 12.788 -1.644 845 H VAL 110 HN VAL 110 -2.582 13.594 -1.479 846 HA VAL 110 HA VAL 110 -2.803 10.965 -0.066 847 HB VAL 110 HB VAL 110 -0.209 12.388 -0.683 848 1HG1 VAL 110 1HG1 VAL 110 -0.466 9.434 -0.513 849 2HG1 VAL 110 2HG1 VAL 110 -0.712 10.322 0.987 850 3HG1 VAL 110 3HG1 VAL 110 0.801 10.492 0.104 851 1HG2 VAL 110 1HG2 VAL 110 -0.276 10.336 -2.471 852 2HG2 VAL 110 2HG2 VAL 110 -0.718 11.994 -2.870 853 3HG2 VAL 110 3HG2 VAL 110 -1.972 10.818 -2.475 854 H ASP 111 HN ASP 111 -1.974 10.939 2.122 855 HA ASP 111 HA ASP 111 -1.624 13.640 3.353 856 1HB ASP 111 2HB ASP 111 -3.432 11.383 4.185 857 2HB ASP 111 1HB ASP 111 -2.800 12.499 5.394 858 H THR 112 HN THR 112 -0.916 10.179 3.464 859 HA THR 112 HA THR 112 1.578 10.800 4.949 860 HB THR 112 HB THR 112 -0.173 8.494 5.812 861 HG1 THR 112 HG1 THR 112 -0.083 11.154 6.777 862 1HG2 THR 112 1HG2 THR 112 2.271 9.902 6.861 863 2HG2 THR 112 2HG2 THR 112 2.018 8.177 6.592 864 3HG2 THR 112 3HG2 THR 112 1.228 8.984 7.947 865 H LEU 113 HN LEU 113 3.261 9.695 4.047 866 HA LEU 113 HA LEU 113 2.587 7.448 2.192 867 1HB LEU 113 2HB LEU 113 5.056 9.208 2.260 868 2HB LEU 113 1HB LEU 113 4.706 7.964 1.061 869 HG LEU 113 HG LEU 113 2.735 10.182 1.562 870 1HD1 LEU 113 1HD1 LEU 113 3.800 11.517 -0.175 871 2HD1 LEU 113 2HD1 LEU 113 5.045 10.288 -0.402 872 3HD1 LEU 113 3HD1 LEU 113 4.974 11.205 1.103 873 1HD2 LEU 113 1HD2 LEU 113 1.766 8.620 0.152 874 2HD2 LEU 113 2HD2 LEU 113 3.314 8.118 -0.528 875 3HD2 LEU 113 3HD2 LEU 113 2.576 9.636 -1.041 876 H LEU 114 HN LEU 114 3.347 5.430 2.670 877 HA LEU 114 HA LEU 114 5.515 5.195 4.719 878 1HB LEU 114 2HB LEU 114 3.166 3.299 4.432 879 2HB LEU 114 1HB LEU 114 4.381 3.307 5.709 880 HG LEU 114 HG LEU 114 2.808 5.811 5.283 881 1HD1 LEU 114 1HD1 LEU 114 1.282 3.673 5.290 882 2HD1 LEU 114 2HD1 LEU 114 0.863 5.042 6.321 883 3HD1 LEU 114 3HD1 LEU 114 1.669 3.633 7.010 884 1HD2 LEU 114 1HD2 LEU 114 3.712 4.329 7.770 885 2HD2 LEU 114 2HD2 LEU 114 3.102 5.982 7.695 886 3HD2 LEU 114 3HD2 LEU 114 4.654 5.580 6.960 887 H VAL 115 HN VAL 115 7.108 4.787 3.153 888 HA VAL 115 HA VAL 115 6.653 2.392 1.415 889 HB VAL 115 HB VAL 115 7.083 4.508 0.209 890 1HG1 VAL 115 1HG1 VAL 115 8.473 5.611 1.908 891 2HG1 VAL 115 2HG1 VAL 115 9.335 5.532 0.371 892 3HG1 VAL 115 3HG1 VAL 115 9.740 4.408 1.669 893 1HG2 VAL 115 1HG2 VAL 115 9.336 2.479 0.068 894 2HG2 VAL 115 2HG2 VAL 115 8.960 3.662 -1.185 895 3HG2 VAL 115 3HG2 VAL 115 7.803 2.388 -0.800 896 H THR 116 HN THR 116 8.175 0.745 1.356 897 HA THR 116 HA THR 116 10.221 0.789 3.532 898 HB THR 116 HB THR 116 9.531 -1.719 2.048 899 HG1 THR 116 HG1 THR 116 7.731 -2.002 3.412 900 1HG2 THR 116 1HG2 THR 116 9.637 -2.466 4.560 901 2HG2 THR 116 2HG2 THR 116 10.414 -0.899 4.795 902 3HG2 THR 116 3HG2 THR 116 11.129 -2.083 3.702 903 H ARG 117 HN ARG 117 12.278 1.165 2.821 904 HA ARG 117 HA ARG 117 12.896 0.721 -0.047 905 1HB ARG 117 2HB ARG 117 14.429 2.125 2.161 906 2HB ARG 117 1HB ARG 117 14.990 1.984 0.495 907 1HG ARG 117 2HG ARG 117 12.227 3.001 0.808 908 2HG ARG 117 1HG ARG 117 13.493 4.069 1.415 909 1HD ARG 117 2HD ARG 117 14.411 3.061 -1.075 910 2HD ARG 117 1HD ARG 117 12.735 3.557 -1.315 911 HE ARG 117 HE ARG 117 14.081 5.606 0.140 912 1HH1 ARG 117 1HH2 ARG 117 14.009 4.100 -2.985 913 2HH1 ARG 117 2HH2 ARG 117 14.528 5.527 -3.815 914 1HH2 ARG 117 1HH1 ARG 117 14.757 7.456 -0.948 915 2HH2 ARG 117 2HH1 ARG 117 14.950 7.418 -2.669 916 H LEU 118 HN LEU 118 13.618 -1.309 -0.505 917 HA LEU 118 HA LEU 118 15.103 -2.866 1.509 918 1HB LEU 118 2HB LEU 118 14.157 -3.454 -1.304 919 2HB LEU 118 1HB LEU 118 15.190 -4.566 -0.412 920 HG LEU 118 HG LEU 118 13.382 -4.264 1.478 921 1HD1 LEU 118 1HD1 LEU 118 11.128 -3.903 0.565 922 2HD1 LEU 118 2HD1 LEU 118 11.811 -3.629 -1.038 923 3HD1 LEU 118 3HD1 LEU 118 12.140 -2.490 0.267 924 1HD2 LEU 118 1HD2 LEU 118 12.822 -5.871 -1.035 925 2HD2 LEU 118 2HD2 LEU 118 12.183 -6.208 0.574 926 3HD2 LEU 118 3HD2 LEU 118 13.912 -6.367 0.260 927 H ALA 119 HN ALA 119 17.280 -3.668 1.097 928 HA ALA 119 HA ALA 119 18.935 -1.667 -0.283 929 1HB ALA 119 1HB ALA 119 19.485 -4.009 1.521 930 2HB ALA 119 2HB ALA 119 19.900 -2.310 1.751 931 3HB ALA 119 3HB ALA 119 20.795 -3.287 0.586 932 H GLY 120 HN GLY 120 17.773 -4.924 -0.871 933 1HA GLY 120 2HA GLY 120 19.765 -5.534 -2.906 934 2HA GLY 120 1HA GLY 120 18.291 -6.450 -2.592 935 H SER 121 HN SER 121 18.950 -6.066 -5.207 936 HA SER 121 HA SER 121 16.987 -3.988 -6.091 937 1HB SER 121 2HB SER 121 19.539 -3.623 -6.577 938 2HB SER 121 1HB SER 121 19.294 -4.849 -7.817 939 HG SER 121 HG SER 121 18.728 -3.080 -8.879 940 H PHE 122 HN PHE 122 15.246 -5.026 -6.912 941 HA PHE 122 HA PHE 122 15.672 -7.653 -8.270 942 1HB PHE 122 2HB PHE 122 13.088 -6.513 -7.169 943 2HB PHE 122 1HB PHE 122 13.359 -8.158 -7.746 944 HD1 PHE 122 HD1 PHE 122 14.256 -9.825 -6.314 945 HD2 PHE 122 HD2 PHE 122 14.423 -5.691 -5.161 946 HE1 PHE 122 HE1 PHE 122 15.047 -10.485 -4.057 947 HE2 PHE 122 HE2 PHE 122 15.213 -6.350 -2.905 948 HZ PHE 122 HZ PHE 122 15.525 -8.746 -2.352 949 H GLU 123 HN GLU 123 14.274 -8.073 -10.174 950 HA GLU 123 HA GLU 123 13.865 -5.568 -11.755 951 1HB GLU 123 2HB GLU 123 15.492 -7.517 -12.477 952 2HB GLU 123 1HB GLU 123 13.999 -8.290 -13.010 953 1HG GLU 123 HG2 GLU 123 13.660 -5.763 -13.999 954 2HG GLU 123 HG1 GLU 123 15.409 -5.945 -14.128 955 H GLY 124 HN GLY 124 11.952 -5.459 -13.112 956 1HA GLY 124 2HA GLY 124 9.885 -7.455 -13.074 957 2HA GLY 124 1HA GLY 124 9.529 -6.202 -11.883 958 H ASP 125 HN ASP 125 7.634 -5.647 -13.296 959 HA ASP 125 HA ASP 125 8.487 -3.810 -15.475 960 1HB ASP 125 2HB ASP 125 6.307 -5.909 -15.574 961 2HB ASP 125 1HB ASP 125 6.380 -4.555 -16.702 962 H THR 126 HN THR 126 6.679 -4.409 -12.667 963 HA THR 126 HA THR 126 4.901 -2.061 -13.148 964 HB THR 126 HB THR 126 4.716 -4.019 -10.848 965 HG1 THR 126 HG1 THR 126 3.307 -4.150 -13.298 966 1HG2 THR 126 1HG2 THR 126 3.039 -2.658 -10.236 967 2HG2 THR 126 2HG2 THR 126 2.208 -3.044 -11.743 968 3HG2 THR 126 3HG2 THR 126 3.295 -1.657 -11.666 969 H LYS 127 HN LYS 127 5.744 -0.194 -12.322 970 HA LYS 127 HA LYS 127 7.388 -0.422 -9.832 971 1HB LYS 127 2HB LYS 127 7.674 1.377 -12.240 972 2HB LYS 127 1HB LYS 127 8.436 1.762 -10.696 973 1HG LYS 127 2HG LYS 127 9.379 -0.641 -10.779 974 2HG LYS 127 1HG LYS 127 8.929 -0.617 -12.484 975 1HD LYS 127 2HD LYS 127 10.699 0.674 -13.016 976 2HD LYS 127 1HD LYS 127 10.326 1.822 -11.730 977 1HE LYS 127 2HE LYS 127 11.532 0.551 -10.110 978 2HE LYS 127 1HE LYS 127 11.641 -0.845 -11.181 979 1HZ LYS 127 1HE LYS 127 12.739 1.479 -12.401 980 2HZ LYS 127 2HE LYS 127 13.464 -0.029 -12.110 981 3HZ LYS 127 3HE LYS 127 13.487 1.173 -10.911 982 H MET 128 HN MET 128 7.221 1.370 -8.344 983 HA MET 128 HA MET 128 4.551 2.232 -7.857 984 1HB MET 128 2HB MET 128 6.816 2.158 -6.378 985 2HB MET 128 1HB MET 128 6.766 3.879 -6.762 986 1HG MET 128 2HG MET 128 4.176 2.707 -5.952 987 2HG MET 128 1HG MET 128 5.404 2.741 -4.689 988 1HE MET 128 1HE MET 128 3.138 3.740 -4.158 989 2HE MET 128 2HE MET 128 2.570 5.345 -4.610 990 3HE MET 128 3HE MET 128 3.702 5.163 -3.273 991 H ILE 129 HN ILE 129 3.633 4.369 -8.036 992 HA ILE 129 HA ILE 129 4.371 5.741 -10.483 993 HB ILE 129 HB ILE 129 2.535 7.313 -9.813 994 1HG1 ILE 129 2HG1 ILE 129 1.531 5.677 -7.635 995 2HG1 ILE 129 1HG1 ILE 129 3.130 6.307 -7.241 996 1HG2 ILE 129 1HG2 ILE 129 1.770 5.514 -11.107 997 2HG2 ILE 129 2HG2 ILE 129 0.763 5.396 -9.663 998 3HG2 ILE 129 3HG2 ILE 129 2.153 4.328 -9.858 999 1HD1 ILE 129 1HD1 ILE 129 1.091 8.151 -8.444 1000 2HD1 ILE 129 2HD1 ILE 129 2.438 8.527 -7.370 1001 3HD1 ILE 129 3HD1 ILE 129 0.988 7.755 -6.729 1002 HA PRO 130 HA PRO 130 7.212 8.816 -9.121 1003 1HB PRO 130 2HB PRO 130 5.945 11.001 -10.463 1004 2HB PRO 130 1HB PRO 130 7.340 10.058 -11.001 1005 1HG PRO 130 2HG PRO 130 4.645 10.002 -11.997 1006 2HG PRO 130 1HG PRO 130 6.069 9.151 -12.608 1007 1HD PRO 130 2HD PRO 130 3.854 8.024 -11.242 1008 2HD PRO 130 1HD PRO 130 5.351 7.209 -11.717 1009 H LEU 131 HN LEU 131 6.792 9.132 -6.913 1010 HA LEU 131 HA LEU 131 4.461 10.752 -6.107 1011 1HB LEU 131 2HB LEU 131 6.398 8.961 -4.768 1012 2HB LEU 131 1HB LEU 131 5.888 10.352 -3.810 1013 HG LEU 131 HG LEU 131 3.966 8.487 -5.226 1014 1HD1 LEU 131 1HD1 LEU 131 4.979 8.523 -2.373 1015 2HD1 LEU 131 2HD1 LEU 131 5.045 7.187 -3.521 1016 3HD1 LEU 131 3HD1 LEU 131 3.496 7.700 -2.853 1017 1HD2 LEU 131 1HD2 LEU 131 3.547 11.036 -4.380 1018 2HD2 LEU 131 2HD2 LEU 131 3.183 10.154 -2.897 1019 3HD2 LEU 131 3HD2 LEU 131 2.291 9.797 -4.376 1020 H ASN 132 HN ASN 132 4.728 12.733 -4.848 1021 HA ASN 132 HA ASN 132 7.085 14.273 -5.765 1022 1HB ASN 132 2HB ASN 132 4.471 14.947 -5.724 1023 2HB ASN 132 1HB ASN 132 4.959 15.581 -4.152 1024 1HD2 ASN 132 1HD2 ASN 132 6.679 15.426 -7.327 1025 2HD2 ASN 132 2HD2 ASN 132 7.031 17.085 -7.379 1026 H TRP 133 HN TRP 133 8.334 12.858 -4.121 1027 HA TRP 133 HA TRP 133 8.087 13.082 -1.330 1028 1HB TRP 133 2HB TRP 133 10.713 13.107 -2.850 1029 2HB TRP 133 1HB TRP 133 10.452 12.550 -1.197 1030 HD1 TRP 133 HD1 TRP 133 10.194 11.470 -4.783 1031 HE1 TRP 133 HE1 TRP 133 9.383 9.026 -4.899 1032 HE3 TRP 133 HE3 TRP 133 8.880 10.745 0.097 1033 HZ2 TRP 133 HZ2 TRP 133 8.319 7.028 -3.152 1034 HZ3 TRP 133 HZ3 TRP 133 7.972 8.564 0.842 1035 HH2 TRP 133 HH2 TRP 133 7.691 6.707 -0.774 1036 H ASP 134 HN ASP 134 9.304 15.427 -3.648 1037 HA ASP 134 HA ASP 134 10.597 17.185 -1.800 1038 1HB ASP 134 2HB ASP 134 9.986 17.162 -4.581 1039 2HB ASP 134 1HB ASP 134 9.381 18.684 -3.927 1040 H ASP 135 HN ASP 135 7.206 16.732 -2.644 1041 HA ASP 135 HA ASP 135 6.409 19.188 -1.217 1042 1HB ASP 135 2HB ASP 135 5.239 17.485 -3.195 1043 2HB ASP 135 1HB ASP 135 4.177 17.486 -1.788 1044 H PHE 136 HN PHE 136 7.170 16.007 -0.408 1045 HA PHE 136 HA PHE 136 5.509 16.171 2.079 1046 1HB PHE 136 2HB PHE 136 6.504 13.779 0.512 1047 2HB PHE 136 1HB PHE 136 5.893 13.647 2.159 1048 HD1 PHE 136 HD1 PHE 136 5.024 14.277 -1.348 1049 HD2 PHE 136 HD2 PHE 136 3.533 14.117 2.674 1050 HE1 PHE 136 HE1 PHE 136 2.700 14.223 -2.211 1051 HE2 PHE 136 HE2 PHE 136 1.209 14.065 1.812 1052 HZ PHE 136 HZ PHE 136 0.793 14.117 -0.631 1053 H THR 137 HN THR 137 6.582 15.102 3.973 1054 HA THR 137 HA THR 137 9.561 15.236 3.838 1055 HB THR 137 HB THR 137 7.952 16.466 6.090 1056 HG1 THR 137 HG1 THR 137 7.739 17.578 4.063 1057 1HG2 THR 137 1HG2 THR 137 10.091 15.910 6.902 1058 2HG2 THR 137 2HG2 THR 137 10.274 17.589 6.393 1059 3HG2 THR 137 3HG2 THR 137 10.870 16.286 5.365 1060 H LYS 138 HN LYS 138 10.529 13.565 4.928 1061 HA LYS 138 HA LYS 138 8.879 11.461 6.022 1062 1HB LYS 138 2HB LYS 138 11.154 11.207 4.885 1063 2HB LYS 138 1HB LYS 138 11.865 11.782 6.392 1064 1HG LYS 138 2HG LYS 138 9.869 9.650 6.760 1065 2HG LYS 138 1HG LYS 138 11.285 9.150 5.836 1066 1HD LYS 138 2HD LYS 138 11.453 10.615 8.480 1067 2HD LYS 138 1HD LYS 138 11.518 8.859 8.334 1068 1HE LYS 138 2HE LYS 138 13.633 8.878 7.474 1069 2HE LYS 138 1HE LYS 138 13.340 10.337 6.529 1070 1HZ LYS 138 1HE LYS 138 14.032 11.659 8.188 1071 2HZ LYS 138 2HE LYS 138 14.854 10.270 8.717 1072 3HZ LYS 138 3HE LYS 138 13.361 10.692 9.408 1073 H VAL 139 HN VAL 139 7.974 11.541 8.010 1074 HA VAL 139 HA VAL 139 9.178 13.306 10.072 1075 HB VAL 139 HB VAL 139 7.013 12.863 11.287 1076 1HG1 VAL 139 1HG1 VAL 139 6.695 14.847 10.227 1077 2HG1 VAL 139 2HG1 VAL 139 5.689 13.914 9.119 1078 3HG1 VAL 139 3HG1 VAL 139 7.371 14.250 8.712 1079 1HG2 VAL 139 1HG2 VAL 139 5.395 11.469 10.431 1080 2HG2 VAL 139 2HG2 VAL 139 6.801 10.674 9.723 1081 3HG2 VAL 139 3HG2 VAL 139 5.847 11.802 8.759 1082 H SER 140 HN SER 140 8.683 9.921 9.352 1083 HA SER 140 HA SER 140 10.177 9.258 11.833 1084 1HB SER 140 2HB SER 140 7.363 8.655 11.338 1085 2HB SER 140 1HB SER 140 8.308 7.200 11.646 1086 HG SER 140 HG SER 140 7.673 9.313 13.307 1087 H SER 141 HN SER 141 11.606 7.585 11.529 1088 HA SER 141 HA SER 141 11.265 5.775 9.224 1089 1HB SER 141 2HB SER 141 13.075 8.035 9.195 1090 2HB SER 141 1HB SER 141 13.973 6.525 9.071 1091 HG SER 141 HG SER 141 12.675 5.951 7.326 1092 H ARG 142 HN ARG 142 12.062 3.758 9.692 1093 HA ARG 142 HA ARG 142 13.923 3.504 12.017 1094 1HB ARG 142 2HB ARG 142 11.364 2.814 12.284 1095 2HB ARG 142 1HB ARG 142 11.903 1.366 11.434 1096 1HG ARG 142 2HG ARG 142 12.955 0.579 13.267 1097 2HG ARG 142 1HG ARG 142 13.773 2.118 13.536 1098 1HD ARG 142 2HD ARG 142 10.884 1.593 14.286 1099 2HD ARG 142 1HD ARG 142 12.236 1.445 15.408 1100 HE ARG 142 HE ARG 142 11.933 4.035 14.005 1101 1HH1 ARG 142 1HH2 ARG 142 11.550 2.120 16.885 1102 2HH1 ARG 142 2HH2 ARG 142 11.430 3.500 17.920 1103 1HH2 ARG 142 1HH1 ARG 142 11.762 5.811 15.366 1104 2HH2 ARG 142 2HH1 ARG 142 11.547 5.575 17.068 1105 H THR 143 HN THR 143 15.746 2.298 11.469 1106 HA THR 143 HA THR 143 15.668 0.901 8.841 1107 HB THR 143 HB THR 143 18.115 1.565 10.489 1108 HG1 THR 143 HG1 THR 143 17.530 3.174 8.346 1109 1HG2 THR 143 1HG2 THR 143 18.763 1.696 7.824 1110 2HG2 THR 143 2HG2 THR 143 17.552 0.415 7.837 1111 3HG2 THR 143 3HG2 THR 143 18.994 0.275 8.842 1112 H VAL 144 HN VAL 144 15.676 -1.298 8.834 1113 HA VAL 144 HA VAL 144 16.654 -2.675 11.297 1114 HB VAL 144 HB VAL 144 14.029 -2.681 10.194 1115 1HG1 VAL 144 1HG1 VAL 144 15.393 -5.380 10.002 1116 2HG1 VAL 144 2HG1 VAL 144 14.742 -4.449 8.653 1117 3HG1 VAL 144 3HG1 VAL 144 13.655 -5.106 9.875 1118 1HG2 VAL 144 1HG2 VAL 144 13.643 -3.217 12.341 1119 2HG2 VAL 144 2HG2 VAL 144 15.383 -3.347 12.586 1120 3HG2 VAL 144 3HG2 VAL 144 14.448 -4.772 12.137 1121 H GLU 145 HN GLU 145 18.271 -4.055 10.909 1122 HA GLU 145 HA GLU 145 19.029 -4.666 8.128 1123 1HB GLU 145 2HB GLU 145 20.344 -4.739 10.790 1124 2HB GLU 145 1HB GLU 145 20.880 -5.957 9.632 1125 1HG GLU 145 HG2 GLU 145 20.813 -3.747 8.038 1126 2HG GLU 145 HG1 GLU 145 21.246 -3.021 9.586 1127 H ASP 146 HN ASP 146 19.601 -6.939 7.554 1128 HA ASP 146 HA ASP 146 18.112 -8.989 9.110 1129 1HB ASP 146 2HB ASP 146 17.050 -7.862 6.806 1130 2HB ASP 146 1HB ASP 146 17.817 -9.336 6.214 1131 H THR 147 HN THR 147 18.812 -11.193 8.569 1132 HA THR 147 HA THR 147 21.634 -11.460 8.278 1133 HB THR 147 HB THR 147 20.990 -13.922 7.739 1134 HG1 THR 147 HG1 THR 147 18.955 -13.921 7.139 1135 1HG2 THR 147 1HG2 THR 147 20.859 -14.338 10.011 1136 2HG2 THR 147 2HG2 THR 147 19.734 -13.011 10.295 1137 3HG2 THR 147 3HG2 THR 147 21.446 -12.675 10.040 1138 H ASN 148 HN ASN 148 19.103 -11.182 5.946 1139 HA ASN 148 HA ASN 148 20.885 -12.072 3.741 1140 1HB ASN 148 2HB ASN 148 18.116 -12.267 4.148 1141 2HB ASN 148 1HB ASN 148 18.303 -11.045 2.891 1142 1HD2 ASN 148 1HD2 ASN 148 18.365 -11.926 0.829 1143 2HD2 ASN 148 2HD2 ASN 148 18.962 -13.466 0.440 1144 HA PRO 149 HA PRO 149 22.390 -7.863 3.282 1145 1HB PRO 149 2HB PRO 149 23.009 -8.582 0.530 1146 2HB PRO 149 1HB PRO 149 24.115 -8.213 1.859 1147 1HG PRO 149 2HG PRO 149 23.474 -10.769 0.753 1148 2HG PRO 149 1HG PRO 149 24.586 -10.395 2.077 1149 1HD PRO 149 2HD PRO 149 22.124 -11.740 2.292 1150 2HD PRO 149 1HD PRO 149 23.104 -11.115 3.627 1151 H ALA 150 HN ALA 150 20.489 -9.452 0.711 1152 HA ALA 150 HA ALA 150 19.561 -6.899 -0.355 1153 1HB ALA 150 1HB ALA 150 19.809 -8.849 -1.827 1154 2HB ALA 150 2HB ALA 150 18.131 -8.308 -1.807 1155 3HB ALA 150 3HB ALA 150 18.609 -9.730 -0.880 1156 H LEU 151 HN LEU 151 18.281 -9.346 1.878 1157 HA LEU 151 HA LEU 151 15.600 -8.302 1.904 1158 1HB LEU 151 2HB LEU 151 17.111 -9.978 3.922 1159 2HB LEU 151 1HB LEU 151 15.391 -9.610 4.035 1160 HG LEU 151 HG LEU 151 16.695 -10.975 1.663 1161 1HD1 LEU 151 1HD1 LEU 151 16.478 -12.937 2.745 1162 2HD1 LEU 151 2HD1 LEU 151 14.796 -12.582 3.139 1163 3HD1 LEU 151 3HD1 LEU 151 16.087 -12.037 4.210 1164 1HD2 LEU 151 1HD2 LEU 151 14.202 -9.651 1.970 1165 2HD2 LEU 151 2HD2 LEU 151 13.852 -11.378 1.967 1166 3HD2 LEU 151 3HD2 LEU 151 14.724 -10.653 0.617 1167 H THR 152 HN THR 152 18.379 -6.779 2.928 1168 HA THR 152 HA THR 152 17.544 -5.694 5.465 1169 HB THR 152 HB THR 152 19.286 -4.299 3.413 1170 HG1 THR 152 HG1 THR 152 20.047 -6.207 5.365 1171 1HG2 THR 152 1HG2 THR 152 20.374 -3.858 5.868 1172 2HG2 THR 152 2HG2 THR 152 18.664 -3.977 6.285 1173 3HG2 THR 152 3HG2 THR 152 19.204 -2.781 5.107 1174 H HIS 153 HN HIS 153 16.287 -3.784 5.865 1175 HA HIS 153 HA HIS 153 15.423 -2.176 3.561 1176 1HB HIS 153 2HB HIS 153 12.977 -2.635 4.038 1177 2HB HIS 153 1HB HIS 153 13.859 -3.965 3.293 1178 HD1 HIS 153 HD1 HIS 153 14.783 -5.832 5.050 1179 HD2 HIS 153 HD2 HIS 153 11.780 -3.307 6.455 1180 HE1 HIS 153 HE1 HIS 153 13.816 -6.946 7.108 1181 H THR 154 HN THR 154 14.058 -0.361 4.188 1182 HA THR 154 HA THR 154 14.165 0.295 7.100 1183 HB THR 154 HB THR 154 14.649 2.353 4.945 1184 HG1 THR 154 HG1 THR 154 16.488 0.612 6.200 1185 1HG2 THR 154 1HG2 THR 154 15.238 3.740 6.679 1186 2HG2 THR 154 2HG2 THR 154 15.863 2.417 7.663 1187 3HG2 THR 154 3HG2 THR 154 14.126 2.684 7.549 1188 H TYR 155 HN TYR 155 12.448 1.746 7.777 1189 HA TYR 155 HA TYR 155 10.144 1.777 5.875 1190 1HB TYR 155 2HB TYR 155 10.146 2.161 8.886 1191 2HB TYR 155 1HB TYR 155 8.726 2.013 7.853 1192 HD1 TYR 155 HD1 TYR 155 8.492 -0.159 6.460 1193 HD2 TYR 155 HD2 TYR 155 11.141 0.248 9.816 1194 HE1 TYR 155 HE1 TYR 155 8.575 -2.627 6.694 1195 HE2 TYR 155 HE2 TYR 155 11.226 -2.219 10.049 1196 HH TYR 155 HH TYR 155 10.817 -4.196 8.855 1197 H GLU 156 HN GLU 156 9.703 3.761 4.964 1198 HA GLU 156 HA GLU 156 10.645 6.179 6.449 1199 1HB GLU 156 2HB GLU 156 10.261 5.700 3.480 1200 2HB GLU 156 1HB GLU 156 10.613 7.279 4.183 1201 1HG GLU 156 HG2 GLU 156 12.559 5.779 5.352 1202 2HG GLU 156 HG1 GLU 156 12.392 4.940 3.809 1203 H VAL 157 HN VAL 157 9.015 7.381 7.293 1204 HA VAL 157 HA VAL 157 6.310 7.156 6.041 1205 HB VAL 157 HB VAL 157 7.023 8.022 8.859 1206 1HG1 VAL 157 1HG1 VAL 157 4.436 7.576 7.368 1207 2HG1 VAL 157 2HG1 VAL 157 4.934 8.984 8.307 1208 3HG1 VAL 157 3HG1 VAL 157 4.507 7.482 9.128 1209 1HG2 VAL 157 1HG2 VAL 157 7.360 5.797 9.176 1210 2HG2 VAL 157 2HG2 VAL 157 6.641 5.379 7.620 1211 3HG2 VAL 157 3HG2 VAL 157 5.609 5.654 9.023 1212 H TRP 158 HN TRP 158 5.591 8.984 5.011 1213 HA TRP 158 HA TRP 158 6.924 11.567 5.724 1214 1HB TRP 158 2HB TRP 158 5.614 10.850 3.088 1215 2HB TRP 158 1HB TRP 158 6.547 12.301 3.446 1216 HD1 TRP 158 HD1 TRP 158 7.098 8.466 3.507 1217 HE1 TRP 158 HE1 TRP 158 9.514 8.000 2.739 1218 HE3 TRP 158 HE3 TRP 158 8.762 13.251 2.872 1219 HZ2 TRP 158 HZ2 TRP 158 11.846 9.463 1.961 1220 HZ3 TRP 158 HZ3 TRP 158 11.081 13.687 2.116 1221 HH2 TRP 158 HH2 TRP 158 12.624 11.800 1.660 1222 H GLN 159 HN GLN 159 5.534 13.497 5.436 1223 HA GLN 159 HA GLN 159 2.613 12.969 5.643 1224 1HB GLN 159 2HB GLN 159 4.352 14.397 7.654 1225 2HB GLN 159 1HB GLN 159 2.649 14.823 7.479 1226 1HG GLN 159 2HG GLN 159 2.261 12.235 7.656 1227 2HG GLN 159 1HG GLN 159 3.864 12.230 8.393 1228 1HE2 GLN 159 1HE2 GLN 159 4.057 13.017 10.545 1229 2HE2 GLN 159 2HE2 GLN 159 2.746 13.615 11.442 1230 H LYS 160 HN LYS 160 1.364 14.709 4.716 1231 HA LYS 160 HA LYS 160 2.761 16.369 2.837 1232 1HB LYS 160 2HB LYS 160 0.308 15.510 2.797 1233 2HB LYS 160 1HB LYS 160 -0.038 16.907 3.815 1234 1HG LYS 160 2HG LYS 160 1.352 18.190 1.957 1235 2HG LYS 160 1HG LYS 160 0.861 16.819 0.961 1236 1HD LYS 160 2HD LYS 160 -1.508 17.366 2.110 1237 2HD LYS 160 1HD LYS 160 -0.800 18.981 2.159 1238 1HE LYS 160 2HE LYS 160 -0.341 17.674 -0.409 1239 2HE LYS 160 1HE LYS 160 -2.059 17.810 -0.037 1240 1HZ LYS 160 1HE LYS 160 -1.448 20.204 0.618 1241 2HZ LYS 160 2HE LYS 160 -1.581 19.819 -1.032 1242 3HZ LYS 160 3HE LYS 160 -0.050 19.948 -0.307 1243 H LYS 161 HN LYS 161 3.814 18.235 3.265 1244 HA LYS 161 HA LYS 161 3.403 19.580 5.857 1245 1HB LYS 161 2HB LYS 161 5.322 20.109 3.569 1246 2HB LYS 161 1HB LYS 161 5.302 21.020 5.079 1247 1HG LYS 161 2HG LYS 161 5.622 18.011 4.958 1248 2HG LYS 161 1HG LYS 161 6.983 19.131 5.013 1249 1HD LYS 161 2HD LYS 161 6.704 19.541 7.219 1250 2HD LYS 161 1HD LYS 161 4.956 19.697 7.054 1251 1HE LYS 161 2HE LYS 161 4.677 17.641 7.918 1252 2HE LYS 161 1HE LYS 161 5.659 16.951 6.625 1253 1HZ LYS 161 1HE LYS 161 6.508 16.562 8.924 1254 2HZ LYS 161 2HE LYS 161 6.809 18.230 9.041 1255 3HZ LYS 161 3HE LYS 161 7.620 17.297 7.876 1256 H ALA 162 HN ALA 162 3.196 22.016 5.836 1257 HA ALA 162 HA ALA 162 1.516 22.933 3.535 1258 1HB ALA 162 1HB ALA 162 0.452 22.398 5.947 1259 2HB ALA 162 2HB ALA 162 -0.136 23.714 4.931 1260 3HB ALA 162 3HB ALA 162 0.990 24.051 6.246 1261 AH51 NDP 168 AH51 NDP 168 -5.991 -0.926 -9.705 1262 AH52 NDP 168 AH52 NDP 168 -6.212 -2.080 -8.383 1263 AH4* NDP 168 AH4* NDP 168 -7.763 -3.397 -9.908 1264 AH3* NDP 168 AH3* NDP 168 -7.324 -1.044 -11.754 1265 AHO3 NDP 168 AHO3 NDP 168 -7.588 -2.837 -13.237 1266 AH2* NDP 168 AH2* NDP 168 -9.629 -1.189 -12.354 1267 AH1* NDP 168 AH1* NDP 168 -10.590 -1.528 -9.786 1268 AH8 NDP 168 AH8 NDP 168 -7.598 0.807 -10.515 1269 AH61 NDP 168 AH61 NDP 168 -10.133 4.965 -10.290 1270 AH62 NDP 168 AH62 NDP 168 -11.816 5.325 -9.982 1271 AH2 NDP 168 AH2 NDP 168 -13.953 1.391 -9.683 1272 NH51 NDP 168 NH51 NDP 168 -1.623 -5.271 -9.715 1273 NH52 NDP 168 NH52 NDP 168 -1.505 -4.242 -8.281 1274 NH4* NDP 168 NH4* NDP 168 0.783 -5.808 -9.572 1275 NH3* NDP 168 NH3* NDP 168 -0.772 -6.333 -7.027 1276 NHO3 NDP 168 NHO3 NDP 168 -0.681 -8.416 -7.887 1277 NH2* NDP 168 NH2* NDP 168 1.264 -7.230 -6.121 1278 NHO2 NDP 168 NHO2 NDP 168 1.882 -7.722 -8.723 1279 NH1* NDP 168 NH1* NDP 168 2.905 -5.219 -7.117 1280 NH2 NDP 168 NH2 NDP 168 3.366 -3.795 -5.249 1281 NH71 NDP 168 NH71 NDP 168 4.747 -3.158 -4.479 1282 NH72 NDP 168 NH72 NDP 168 5.114 -2.034 -3.193 1283 NH41 NDP 168 NH41 NDP 168 0.212 -2.651 -3.116 1284 NH42 NDP 168 NH42 NDP 168 0.758 -4.131 -2.257 1285 NH5 NDP 168 NH5 NDP 168 -1.274 -4.575 -3.620 1286 NH6 NDP 168 NH6 NDP 168 -0.550 -5.652 -5.805 1287 H1 TRR 170 H1 TRR 170 4.913 -5.550 1.851 1288 1H2 TRR 170 1H2 TRR 170 4.836 -2.108 2.746 1289 2H2 TRR 170 2H2 TRR 170 5.754 -3.547 2.836 1290 1H4 TRR 170 1H4 TRR 170 -0.008 -3.535 -0.180 1291 2H4 TRR 170 2H4 TRR 170 0.593 -2.104 0.524 1292 H6 TRR 170 H6 TRR 170 3.258 -6.822 0.638 1293 1H7 TRR 170 1H7 TRR 170 1.033 -5.615 -1.386 1294 2H7 TRR 170 2H7 TRR 170 -0.059 -5.456 -0.008 1295 H12 TRR 170 H12 TRR 170 1.708 -7.732 -2.086 1296 H16 TRR 170 H16 TRR 170 0.179 -7.196 1.914 1297 1H17 TRR 170 1H17 TRR 170 1.760 -8.956 -3.413 1298 2H17 TRR 170 2H17 TRR 170 2.059 -10.583 -3.995 1299 3H17 TRR 170 3H17 TRR 170 3.335 -9.695 -3.180 1300 1H18 TRR 170 1H18 TRR 170 2.557 -12.793 0.170 1301 2H18 TRR 170 2H18 TRR 170 2.123 -12.524 1.852 1302 3H18 TRR 170 3H18 TRR 170 3.017 -11.296 0.967 1303 1H19 TRR 170 1H19 TRR 170 -1.158 -8.368 3.232 1304 2H19 TRR 170 2H19 TRR 170 0.486 -8.269 3.847 1305 3H19 TRR 170 3H19 TRR 170 -0.593 -9.528 4.426 Start of MODEL 11 1 1H THR 1 1H THR 1 -6.478 10.405 3.894 2 2H THR 1 2H THR 1 -4.878 10.913 4.153 3 3H THR 1 3H THR 1 -5.508 9.601 5.028 4 HA THR 1 HA THR 1 -5.541 8.208 3.160 5 HB THR 1 HB THR 1 -4.631 10.479 1.408 6 HG1 THR 1 HG1 THR 1 -6.537 11.292 1.766 7 1HG2 THR 1 1HG2 THR 1 -4.818 7.767 1.018 8 2HG2 THR 1 2HG2 THR 1 -4.874 8.968 -0.270 9 3HG2 THR 1 3HG2 THR 1 -6.372 8.328 0.401 10 H ALA 2 HN ALA 2 -3.739 7.006 3.496 11 HA ALA 2 HA ALA 2 -1.092 8.383 3.284 12 1HB ALA 2 1HB ALA 2 -1.450 7.922 5.627 13 2HB ALA 2 2HB ALA 2 -0.285 6.741 5.029 14 3HB ALA 2 3HB ALA 2 -1.968 6.273 5.276 15 H PHE 3 HN PHE 3 0.628 7.063 2.435 16 HA PHE 3 HA PHE 3 -0.354 4.774 0.779 17 1HB PHE 3 2HB PHE 3 1.908 6.742 0.522 18 2HB PHE 3 1HB PHE 3 2.014 5.185 -0.286 19 HD1 PHE 3 HD1 PHE 3 -1.189 6.995 0.233 20 HD2 PHE 3 HD2 PHE 3 1.952 6.030 -2.518 21 HE1 PHE 3 HE1 PHE 3 -2.556 7.870 -1.638 22 HE2 PHE 3 HE2 PHE 3 0.587 6.900 -4.391 23 HZ PHE 3 HZ PHE 3 -1.668 7.821 -3.949 24 H LEU 4 HN LEU 4 0.484 2.703 1.214 25 HA LEU 4 HA LEU 4 2.905 2.592 2.961 26 1HB LEU 4 2HB LEU 4 1.072 2.178 4.461 27 2HB LEU 4 1HB LEU 4 0.293 1.097 3.309 28 HG LEU 4 HG LEU 4 2.112 -0.523 3.546 29 1HD1 LEU 4 1HD1 LEU 4 3.968 -0.167 5.049 30 2HD1 LEU 4 2HD1 LEU 4 3.271 1.340 5.641 31 3HD1 LEU 4 3HD1 LEU 4 3.883 1.240 3.991 32 1HD2 LEU 4 1HD2 LEU 4 0.810 0.521 6.061 33 2HD2 LEU 4 2HD2 LEU 4 1.855 -0.898 6.102 34 3HD2 LEU 4 3HD2 LEU 4 0.391 -0.909 5.118 35 H TRP 5 HN TRP 5 4.154 2.026 1.066 36 HA TRP 5 HA TRP 5 3.608 -0.751 0.119 37 1HB TRP 5 2HB TRP 5 3.927 -0.185 -2.149 38 2HB TRP 5 1HB TRP 5 2.901 1.099 -1.523 39 HD1 TRP 5 HD1 TRP 5 6.226 0.468 -3.114 40 HE1 TRP 5 HE1 TRP 5 7.497 2.695 -3.397 41 HE3 TRP 5 HE3 TRP 5 3.282 3.528 -0.277 42 HZ2 TRP 5 HZ2 TRP 5 7.287 5.420 -2.532 43 HZ3 TRP 5 HZ3 TRP 5 3.840 5.929 -0.024 44 HH2 TRP 5 HH2 TRP 5 5.836 6.876 -1.146 45 H ALA 6 HN ALA 6 5.422 -2.032 -0.152 46 HA ALA 6 HA ALA 6 7.997 -0.850 0.748 47 1HB ALA 6 1HB ALA 6 8.470 -3.525 0.524 48 2HB ALA 6 2HB ALA 6 6.733 -3.539 0.836 49 3HB ALA 6 3HB ALA 6 7.832 -2.774 1.986 50 H GLN 7 HN GLN 7 9.386 -0.254 -0.885 51 HA GLN 7 HA GLN 7 9.227 -1.798 -3.441 52 1HB GLN 7 2HB GLN 7 10.065 0.292 -4.545 53 2HB GLN 7 1HB GLN 7 8.473 0.482 -3.812 54 1HG GLN 7 2HG GLN 7 9.226 2.074 -2.411 55 2HG GLN 7 1HG GLN 7 10.569 1.059 -1.885 56 1HE2 GLN 7 1HE2 GLN 7 9.580 3.308 -4.503 57 2HE2 GLN 7 2HE2 GLN 7 11.162 3.757 -4.925 58 H ASP 8 HN ASP 8 11.323 -2.002 -4.601 59 HA ASP 8 HA ASP 8 13.490 -2.452 -2.665 60 1HB ASP 8 2HB ASP 8 14.647 -3.541 -4.558 61 2HB ASP 8 1HB ASP 8 13.018 -4.176 -4.347 62 H ARG 9 HN ARG 9 15.754 -1.992 -4.197 63 HA ARG 9 HA ARG 9 16.202 0.777 -3.772 64 1HB ARG 9 2HB ARG 9 18.295 0.428 -5.086 65 2HB ARG 9 1HB ARG 9 18.056 -0.792 -3.837 66 1HG ARG 9 2HG ARG 9 18.471 -2.248 -5.542 67 2HG ARG 9 1HG ARG 9 16.772 -1.974 -5.923 68 1HD ARG 9 2HD ARG 9 17.347 -1.072 -7.900 69 2HD ARG 9 1HD ARG 9 18.307 0.156 -7.077 70 HE ARG 9 HE ARG 9 19.328 -2.333 -8.274 71 1HH1 ARG 9 1HH1 ARG 9 19.882 0.373 -6.162 72 2HH1 ARG 9 2HH1 ARG 9 21.602 0.226 -6.240 73 1HH2 ARG 9 1HH2 ARG 9 21.565 -2.509 -8.359 74 2HH2 ARG 9 2HH2 ARG 9 22.550 -1.393 -7.473 75 H ASP 10 HN ASP 10 15.448 -0.968 -6.812 76 HA ASP 10 HA ASP 10 15.607 1.422 -8.433 77 1HB ASP 10 2HB ASP 10 14.759 -1.401 -8.809 78 2HB ASP 10 1HB ASP 10 14.057 -0.221 -9.916 79 H GLY 11 HN GLY 11 13.056 -0.130 -6.586 80 1HA GLY 11 2HA GLY 11 11.199 1.304 -5.801 81 2HA GLY 11 1HA GLY 11 11.256 2.129 -7.358 82 H LEU 12 HN LEU 12 11.331 -1.373 -6.738 83 HA LEU 12 HA LEU 12 9.040 -1.689 -8.597 84 1HB LEU 12 2HB LEU 12 11.005 -3.136 -8.933 85 2HB LEU 12 1HB LEU 12 10.862 -3.729 -7.280 86 HG LEU 12 HG LEU 12 8.524 -4.520 -7.885 87 1HD1 LEU 12 1HD1 LEU 12 7.688 -3.918 -9.878 88 2HD1 LEU 12 2HD1 LEU 12 8.963 -4.831 -10.680 89 3HD1 LEU 12 3HD1 LEU 12 9.203 -3.125 -10.299 90 1HD2 LEU 12 1HD2 LEU 12 10.145 -6.217 -7.729 91 2HD2 LEU 12 2HD2 LEU 12 11.041 -5.614 -9.123 92 3HD2 LEU 12 3HD2 LEU 12 9.497 -6.435 -9.356 93 H ILE 13 HN ILE 13 7.112 -2.865 -7.917 94 HA ILE 13 HA ILE 13 6.799 -2.924 -4.948 95 HB ILE 13 HB ILE 13 4.253 -2.773 -5.665 96 1HG1 ILE 13 2HG1 ILE 13 5.313 -0.992 -7.804 97 2HG1 ILE 13 1HG1 ILE 13 5.229 -2.713 -8.167 98 1HG2 ILE 13 1HG2 ILE 13 4.351 -0.629 -4.886 99 2HG2 ILE 13 2HG2 ILE 13 5.651 -0.179 -5.994 100 3HG2 ILE 13 3HG2 ILE 13 6.016 -1.085 -4.523 101 1HD1 ILE 13 1HD1 ILE 13 2.952 -2.730 -8.196 102 2HD1 ILE 13 2HD1 ILE 13 3.126 -0.995 -8.455 103 3HD1 ILE 13 3HD1 ILE 13 2.833 -1.618 -6.831 104 H GLY 14 HN GLY 14 5.164 -4.394 -7.808 105 1HA GLY 14 2HA GLY 14 5.778 -7.071 -6.755 106 2HA GLY 14 1HA GLY 14 4.072 -6.641 -6.722 107 H LYS 15 HN LYS 15 5.441 -8.715 -8.363 108 HA LYS 15 HA LYS 15 4.710 -7.634 -11.055 109 1HB LYS 15 2HB LYS 15 7.188 -8.065 -10.664 110 2HB LYS 15 1HB LYS 15 6.782 -9.776 -10.529 111 1HG LYS 15 2HG LYS 15 5.516 -9.299 -12.820 112 2HG LYS 15 1HG LYS 15 6.695 -7.991 -12.927 113 1HD LYS 15 2HD LYS 15 8.034 -9.601 -13.828 114 2HD LYS 15 1HD LYS 15 8.302 -10.049 -12.143 115 1HE LYS 15 2HE LYS 15 5.869 -11.189 -13.393 116 2HE LYS 15 1HE LYS 15 7.401 -11.789 -14.026 117 1HZ LYS 15 1HE LYS 15 7.953 -11.923 -11.476 118 2HZ LYS 15 2HE LYS 15 7.130 -13.180 -12.269 119 3HZ LYS 15 3HE LYS 15 6.267 -12.047 -11.342 120 H ASP 16 HN ASP 16 3.207 -8.805 -12.155 121 HA ASP 16 HA ASP 16 1.655 -10.472 -12.628 122 1HB ASP 16 2HB ASP 16 4.177 -11.851 -11.936 123 2HB ASP 16 1HB ASP 16 2.730 -12.857 -11.872 124 H GLY 17 HN GLY 17 0.955 -9.218 -10.208 125 1HA GLY 17 2HA GLY 17 -0.591 -9.691 -8.524 126 2HA GLY 17 1HA GLY 17 -0.462 -11.400 -8.926 127 H HIS 18 HN HIS 18 1.478 -12.542 -8.094 128 HA HIS 18 HA HIS 18 1.821 -12.177 -5.318 129 1HB HIS 18 2HB HIS 18 3.729 -13.769 -5.558 130 2HB HIS 18 1HB HIS 18 2.278 -14.308 -6.401 131 HD1 HIS 18 HD1 HIS 18 5.735 -12.980 -7.007 132 HD2 HIS 18 HD2 HIS 18 2.461 -14.264 -9.245 133 HE1 HIS 18 HE1 HIS 18 6.547 -13.217 -9.394 134 H LEU 19 HN LEU 19 4.522 -12.267 -4.741 135 HA LEU 19 HA LEU 19 5.386 -9.499 -5.455 136 1HB LEU 19 2HB LEU 19 5.706 -11.210 -3.009 137 2HB LEU 19 1HB LEU 19 6.939 -10.001 -3.367 138 HG LEU 19 HG LEU 19 4.061 -9.191 -3.495 139 1HD1 LEU 19 1HD1 LEU 19 4.179 -8.624 -1.059 140 2HD1 LEU 19 2HD1 LEU 19 5.682 -9.540 -0.956 141 3HD1 LEU 19 3HD1 LEU 19 4.175 -10.361 -1.364 142 1HD2 LEU 19 1HD2 LEU 19 5.994 -7.700 -4.149 143 2HD2 LEU 19 2HD2 LEU 19 6.534 -7.766 -2.471 144 3HD2 LEU 19 3HD2 LEU 19 4.977 -7.040 -2.869 145 HA PRO 20 HA PRO 20 8.985 -11.194 -7.428 146 1HB PRO 20 2HB PRO 20 10.683 -9.000 -6.894 147 2HB PRO 20 1HB PRO 20 9.626 -9.200 -8.298 148 1HG PRO 20 2HG PRO 20 9.370 -7.289 -6.238 149 2HG PRO 20 1HG PRO 20 8.209 -7.627 -7.528 150 1HD PRO 20 2HD PRO 20 8.157 -8.466 -4.690 151 2HD PRO 20 1HD PRO 20 6.820 -8.285 -5.842 152 H TRP 21 HN TRP 21 9.389 -9.873 -4.165 153 HA TRP 21 HA TRP 21 11.722 -11.695 -3.776 154 1HB TRP 21 2HB TRP 21 12.266 -10.161 -1.849 155 2HB TRP 21 1HB TRP 21 12.316 -9.366 -3.419 156 HD1 TRP 21 HD1 TRP 21 9.990 -9.765 -0.374 157 HE1 TRP 21 HE1 TRP 21 8.414 -7.723 -0.293 158 HE3 TRP 21 HE3 TRP 21 11.358 -7.416 -4.703 159 HZ2 TRP 21 HZ2 TRP 21 7.820 -5.395 -1.853 160 HZ3 TRP 21 HZ3 TRP 21 10.276 -5.289 -5.377 161 HH2 TRP 21 HH2 TRP 21 8.511 -4.277 -3.959 162 H HIS 22 HN HIS 22 11.610 -11.548 -0.919 163 HA HIS 22 HA HIS 22 8.957 -12.558 -0.119 164 1HB HIS 22 2HB HIS 22 10.460 -14.479 -1.079 165 2HB HIS 22 1HB HIS 22 11.344 -14.312 0.438 166 HD1 HIS 22 HD1 HIS 22 8.618 -16.141 -0.953 167 HD2 HIS 22 HD2 HIS 22 9.309 -14.358 2.751 168 HE1 HIS 22 HE1 HIS 22 6.999 -17.215 0.672 169 H LEU 23 HN LEU 23 8.945 -10.794 1.359 170 HA LEU 23 HA LEU 23 10.978 -10.999 3.545 171 1HB LEU 23 2HB LEU 23 11.192 -8.954 2.059 172 2HB LEU 23 1HB LEU 23 9.606 -8.453 2.646 173 HG LEU 23 HG LEU 23 10.469 -8.525 4.975 174 1HD1 LEU 23 1HD1 LEU 23 13.252 -8.475 4.562 175 2HD1 LEU 23 2HD1 LEU 23 12.664 -9.854 3.635 176 3HD1 LEU 23 3HD1 LEU 23 12.322 -9.742 5.361 177 1HD2 LEU 23 1HD2 LEU 23 12.470 -6.841 3.540 178 2HD2 LEU 23 2HD2 LEU 23 11.361 -6.401 4.837 179 3HD2 LEU 23 3HD2 LEU 23 10.771 -6.538 3.181 180 HA PRO 24 HA PRO 24 7.037 -11.785 5.697 181 1HB PRO 24 2HB PRO 24 8.513 -12.735 7.937 182 2HB PRO 24 1HB PRO 24 7.646 -13.698 6.734 183 1HG PRO 24 2HG PRO 24 10.456 -13.493 7.103 184 2HG PRO 24 1HG PRO 24 9.587 -14.396 5.855 185 1HD PRO 24 2HD PRO 24 11.055 -11.902 5.606 186 2HD PRO 24 1HD PRO 24 10.381 -12.929 4.332 187 H ASP 25 HN ASP 25 9.994 -10.321 7.011 188 HA ASP 25 HA ASP 25 8.795 -9.034 9.263 189 1HB ASP 25 2HB ASP 25 11.338 -9.285 8.394 190 2HB ASP 25 1HB ASP 25 11.011 -7.640 7.850 191 H ASP 26 HN ASP 26 8.791 -8.274 5.854 192 HA ASP 26 HA ASP 26 7.939 -5.500 6.254 193 1HB ASP 26 2HB ASP 26 9.190 -5.990 4.246 194 2HB ASP 26 1HB ASP 26 8.078 -7.283 3.805 195 H LEU 27 HN LEU 27 6.397 -8.582 5.285 196 HA LEU 27 HA LEU 27 3.786 -7.640 4.823 197 1HB LEU 27 2HB LEU 27 4.696 -10.230 6.117 198 2HB LEU 27 1HB LEU 27 3.048 -9.924 5.566 199 HG LEU 27 HG LEU 27 5.285 -9.438 3.642 200 1HD1 LEU 27 1HD1 LEU 27 4.572 -12.054 4.834 201 2HD1 LEU 27 2HD1 LEU 27 6.051 -11.554 4.016 202 3HD1 LEU 27 3HD1 LEU 27 4.638 -12.022 3.072 203 1HD2 LEU 27 1HD2 LEU 27 3.568 -9.396 2.167 204 2HD2 LEU 27 2HD2 LEU 27 2.491 -9.406 3.563 205 3HD2 LEU 27 3HD2 LEU 27 2.922 -10.922 2.772 206 H HIS 28 HN HIS 28 5.285 -8.627 7.914 207 HA HIS 28 HA HIS 28 3.008 -8.111 9.560 208 1HB HIS 28 2HB HIS 28 5.969 -7.926 10.208 209 2HB HIS 28 1HB HIS 28 4.678 -7.908 11.410 210 HD1 HIS 28 HD1 HIS 28 2.844 -10.097 10.575 211 HD2 HIS 28 HD2 HIS 28 6.981 -10.492 10.248 212 HE1 HIS 28 HE1 HIS 28 3.323 -12.583 10.507 213 H TYR 29 HN TYR 29 5.635 -6.039 8.395 214 HA TYR 29 HA TYR 29 4.926 -3.698 9.902 215 1HB TYR 29 2HB TYR 29 7.092 -4.033 8.654 216 2HB TYR 29 1HB TYR 29 6.201 -3.803 7.150 217 HD1 TYR 29 HD1 TYR 29 6.792 -2.159 10.468 218 HD2 TYR 29 HD2 TYR 29 5.925 -1.643 6.292 219 HE1 TYR 29 HE1 TYR 29 6.977 0.299 10.733 220 HE2 TYR 29 HE2 TYR 29 6.111 0.816 6.558 221 HH TYR 29 HH TYR 29 7.126 2.431 8.046 222 H PHE 30 HN PHE 30 3.862 -5.029 6.822 223 HA PHE 30 HA PHE 30 2.291 -2.755 6.005 224 1HB PHE 30 2HB PHE 30 2.943 -4.418 4.359 225 2HB PHE 30 1HB PHE 30 2.110 -5.688 5.254 226 HD1 PHE 30 HD1 PHE 30 1.311 -2.246 3.974 227 HD2 PHE 30 HD2 PHE 30 0.052 -6.330 4.384 228 HE1 PHE 30 HE1 PHE 30 -0.797 -1.714 2.782 229 HE2 PHE 30 HE2 PHE 30 -2.055 -5.800 3.188 230 HZ PHE 30 HZ PHE 30 -2.478 -3.493 2.389 231 H ARG 31 HN ARG 31 1.416 -5.825 7.621 232 HA ARG 31 HA ARG 31 -1.365 -5.216 7.893 233 1HB ARG 31 2HB ARG 31 0.040 -7.438 8.323 234 2HB ARG 31 1HB ARG 31 0.031 -6.839 9.982 235 1HG ARG 31 2HG ARG 31 -2.433 -6.662 9.901 236 2HG ARG 31 1HG ARG 31 -2.419 -7.281 8.250 237 1HD ARG 31 2HD ARG 31 -2.897 -9.141 9.711 238 2HD ARG 31 1HD ARG 31 -1.246 -9.341 9.124 239 HE ARG 31 HE ARG 31 -1.104 -7.895 11.555 240 1HH1 ARG 31 1HH2 ARG 31 -2.072 -11.009 10.368 241 2HH1 ARG 31 2HH2 ARG 31 -1.689 -11.823 11.846 242 1HH2 ARG 31 1HH1 ARG 31 -0.609 -8.963 13.473 243 2HH2 ARG 31 2HH1 ARG 31 -0.865 -10.671 13.596 244 H ALA 32 HN ALA 32 1.108 -5.194 10.480 245 HA ALA 32 HA ALA 32 -0.333 -3.897 12.469 246 1HB ALA 32 1HB ALA 32 2.596 -3.561 11.774 247 2HB ALA 32 2HB ALA 32 1.902 -4.749 12.877 248 3HB ALA 32 3HB ALA 32 1.867 -3.035 13.291 249 H GLN 33 HN GLN 33 1.344 -2.367 9.729 250 HA GLN 33 HA GLN 33 0.879 0.336 10.641 251 1HB GLN 33 2HB GLN 33 1.721 -0.927 8.053 252 2HB GLN 33 1HB GLN 33 1.270 0.777 8.079 253 1HG GLN 33 2HG GLN 33 3.225 -0.337 10.085 254 2HG GLN 33 1HG GLN 33 3.761 0.183 8.486 255 1HE2 GLN 33 1HE2 GLN 33 2.271 2.463 8.006 256 2HE2 GLN 33 2HE2 GLN 33 2.571 3.634 9.197 257 H THR 34 HN THR 34 -1.164 -2.001 9.154 258 HA THR 34 HA THR 34 -3.129 0.171 8.523 259 HB THR 34 HB THR 34 -4.058 -1.287 6.785 260 HG1 THR 34 HG1 THR 34 -1.906 -3.025 7.391 261 1HG2 THR 34 1HG2 THR 34 -1.199 -1.494 6.094 262 2HG2 THR 34 2HG2 THR 34 -1.704 0.104 6.645 263 3HG2 THR 34 3HG2 THR 34 -2.500 -0.645 5.261 264 H VAL 35 HN VAL 35 -2.763 -1.272 11.089 265 HA VAL 35 HA VAL 35 -5.071 -3.094 11.227 266 HB VAL 35 HB VAL 35 -4.507 -3.273 13.628 267 1HG1 VAL 35 1HG1 VAL 35 -2.298 -4.302 13.342 268 2HG1 VAL 35 2HG1 VAL 35 -2.086 -3.445 11.817 269 3HG1 VAL 35 3HG1 VAL 35 -3.334 -4.681 11.966 270 1HG2 VAL 35 1HG2 VAL 35 -3.752 -1.081 14.188 271 2HG2 VAL 35 2HG2 VAL 35 -2.542 -1.087 12.906 272 3HG2 VAL 35 3HG2 VAL 35 -2.327 -2.110 14.325 273 H GLY 36 HN GLY 36 -7.101 -2.442 11.696 274 1HA GLY 36 2HA GLY 36 -8.855 -1.153 12.583 275 2HA GLY 36 1HA GLY 36 -7.657 -0.242 13.497 276 H LYS 37 HN LYS 37 -6.971 -0.364 10.133 277 HA LYS 37 HA LYS 37 -8.227 2.336 9.792 278 1HB LYS 37 2HB LYS 37 -5.510 1.350 8.886 279 2HB LYS 37 1HB LYS 37 -6.245 2.844 8.305 280 1HG LYS 37 2HG LYS 37 -6.436 3.623 10.672 281 2HG LYS 37 1HG LYS 37 -5.570 2.173 11.182 282 1HD LYS 37 2HD LYS 37 -3.760 3.570 10.969 283 2HD LYS 37 1HD LYS 37 -3.862 3.036 9.291 284 1HE LYS 37 2HE LYS 37 -3.949 5.264 8.830 285 2HE LYS 37 1HE LYS 37 -5.645 5.107 9.284 286 1HZ LYS 37 1HE LYS 37 -3.777 5.490 11.475 287 2HZ LYS 37 2HE LYS 37 -5.318 6.161 11.226 288 3HZ LYS 37 3HE LYS 37 -3.965 6.817 10.435 289 H ILE 38 HN ILE 38 -8.434 2.907 7.361 290 HA ILE 38 HA ILE 38 -9.731 0.626 6.022 291 HB ILE 38 HB ILE 38 -9.341 3.451 4.990 292 1HG1 ILE 38 2HG1 ILE 38 -11.751 2.339 6.453 293 2HG1 ILE 38 1HG1 ILE 38 -10.501 3.303 7.243 294 1HG2 ILE 38 1HG2 ILE 38 -11.559 2.744 3.830 295 2HG2 ILE 38 2HG2 ILE 38 -11.061 1.099 4.227 296 3HG2 ILE 38 3HG2 ILE 38 -10.043 2.104 3.196 297 1HD1 ILE 38 1HD1 ILE 38 -10.913 5.032 5.375 298 2HD1 ILE 38 2HD1 ILE 38 -12.148 4.890 6.625 299 3HD1 ILE 38 3HD1 ILE 38 -12.395 4.138 5.048 300 H MET 39 HN MET 39 -8.612 -0.688 4.650 301 HA MET 39 HA MET 39 -6.065 0.346 3.492 302 1HB MET 39 2HB MET 39 -5.954 -1.732 4.863 303 2HB MET 39 1HB MET 39 -7.050 -2.512 3.722 304 1HG MET 39 2HG MET 39 -5.195 -1.576 1.991 305 2HG MET 39 1HG MET 39 -4.178 -1.810 3.412 306 1HE MET 39 1HE MET 39 -5.491 -4.895 4.747 307 2HE MET 39 2HE MET 39 -4.387 -3.530 4.883 308 3HE MET 39 3HE MET 39 -3.799 -5.071 4.262 309 H VAL 40 HN VAL 40 -6.282 1.074 1.422 310 HA VAL 40 HA VAL 40 -8.455 0.009 -0.277 311 HB VAL 40 HB VAL 40 -6.411 2.154 -0.922 312 1HG1 VAL 40 1HG1 VAL 40 -8.130 0.831 -2.596 313 2HG1 VAL 40 2HG1 VAL 40 -7.560 2.478 -2.860 314 3HG1 VAL 40 3HG1 VAL 40 -9.123 2.198 -2.092 315 1HG2 VAL 40 1HG2 VAL 40 -8.076 3.769 -0.198 316 2HG2 VAL 40 2HG2 VAL 40 -7.786 2.644 1.128 317 3HG2 VAL 40 3HG2 VAL 40 -9.236 2.483 0.137 318 H VAL 41 HN VAL 41 -8.025 -1.785 -1.431 319 HA VAL 41 HA VAL 41 -5.306 -2.078 -2.640 320 HB VAL 41 HB VAL 41 -5.731 -4.594 -2.404 321 1HG1 VAL 41 1HG1 VAL 41 -4.902 -4.633 -0.109 322 2HG1 VAL 41 2HG1 VAL 41 -5.473 -2.985 0.151 323 3HG1 VAL 41 3HG1 VAL 41 -4.155 -3.293 -0.980 324 1HG2 VAL 41 1HG2 VAL 41 -8.233 -3.696 -1.550 325 2HG2 VAL 41 2HG2 VAL 41 -7.428 -4.187 -0.059 326 3HG2 VAL 41 3HG2 VAL 41 -7.607 -5.334 -1.385 327 H GLY 42 HN GLY 42 -5.397 -2.261 -4.840 328 1HA GLY 42 2HA GLY 42 -7.795 -2.117 -6.323 329 2HA GLY 42 1HA GLY 42 -6.247 -2.628 -6.989 330 H ARG 43 HN ARG 43 -9.058 -3.646 -7.377 331 HA ARG 43 HA ARG 43 -9.629 -6.095 -6.208 332 1HB ARG 43 2HB ARG 43 -11.061 -4.978 -7.870 333 2HB ARG 43 1HB ARG 43 -9.902 -5.369 -9.138 334 1HG ARG 43 2HG ARG 43 -10.751 -7.688 -7.527 335 2HG ARG 43 1HG ARG 43 -12.049 -6.939 -8.457 336 1HD ARG 43 2HD ARG 43 -9.371 -7.741 -9.629 337 2HD ARG 43 1HD ARG 43 -10.824 -8.736 -9.713 338 HE ARG 43 HE ARG 43 -11.236 -6.036 -10.742 339 1HH1 ARG 43 1HH2 ARG 43 -10.122 -9.253 -11.437 340 2HH1 ARG 43 2HH2 ARG 43 -10.427 -9.117 -13.134 341 1HH2 ARG 43 1HH1 ARG 43 -11.622 -5.876 -12.958 342 2HH2 ARG 43 2HH1 ARG 43 -11.268 -7.219 -13.990 343 H ARG 44 HN ARG 44 -6.943 -5.418 -8.348 344 HA ARG 44 HA ARG 44 -6.540 -8.217 -9.088 345 1HB ARG 44 2HB ARG 44 -5.296 -5.627 -9.675 346 2HB ARG 44 1HB ARG 44 -4.138 -6.948 -9.549 347 1HG ARG 44 2HG ARG 44 -6.558 -7.651 -11.064 348 2HG ARG 44 1HG ARG 44 -5.626 -6.347 -11.798 349 1HD ARG 44 2HD ARG 44 -4.226 -7.909 -12.619 350 2HD ARG 44 1HD ARG 44 -3.716 -8.238 -10.965 351 HE ARG 44 HE ARG 44 -5.050 -10.194 -10.981 352 1HH1 ARG 44 1HH1 ARG 44 -5.752 -8.143 -13.698 353 2HH1 ARG 44 2HH1 ARG 44 -6.731 -9.330 -14.487 354 1HH2 ARG 44 1HH2 ARG 44 -6.330 -11.721 -12.016 355 2HH2 ARG 44 2HH2 ARG 44 -7.059 -11.343 -13.541 356 H THR 45 HN THR 45 -5.019 -5.923 -6.801 357 HA THR 45 HA THR 45 -3.119 -7.866 -5.802 358 HB THR 45 HB THR 45 -4.175 -5.490 -4.257 359 HG1 THR 45 HG1 THR 45 -2.274 -5.607 -6.353 360 1HG2 THR 45 1HG2 THR 45 -1.434 -6.777 -4.385 361 2HG2 THR 45 2HG2 THR 45 -2.634 -7.120 -3.139 362 3HG2 THR 45 3HG2 THR 45 -1.949 -5.502 -3.281 363 H TYR 46 HN TYR 46 -6.233 -6.638 -4.517 364 HA TYR 46 HA TYR 46 -6.372 -8.262 -2.207 365 1HB TYR 46 2HB TYR 46 -7.978 -6.404 -2.945 366 2HB TYR 46 1HB TYR 46 -8.764 -7.629 -3.940 367 HD1 TYR 46 HD1 TYR 46 -10.278 -9.178 -2.996 368 HD2 TYR 46 HD2 TYR 46 -7.734 -6.856 -0.430 369 HE1 TYR 46 HE1 TYR 46 -11.526 -9.994 -1.016 370 HE2 TYR 46 HE2 TYR 46 -8.984 -7.670 1.547 371 HH TYR 46 HH TYR 46 -11.146 -10.286 1.403 372 H GLU 47 HN GLU 47 -7.304 -8.987 -5.558 373 HA GLU 47 HA GLU 47 -8.357 -11.611 -4.969 374 1HB GLU 47 2HB GLU 47 -7.534 -10.136 -7.447 375 2HB GLU 47 1HB GLU 47 -7.785 -11.880 -7.539 376 1HG GLU 47 HG2 GLU 47 -10.000 -11.203 -6.162 377 2HG GLU 47 HG1 GLU 47 -9.759 -9.705 -7.062 378 H SER 48 HN SER 48 -5.167 -10.346 -5.216 379 HA SER 48 HA SER 48 -4.017 -13.053 -5.676 380 1HB SER 48 2HB SER 48 -2.905 -10.259 -5.798 381 2HB SER 48 1HB SER 48 -1.824 -11.638 -5.619 382 HG SER 48 HG SER 48 -2.087 -11.960 -7.669 383 H PHE 49 HN PHE 49 -4.721 -10.818 -3.157 384 HA PHE 49 HA PHE 49 -2.734 -11.150 -1.245 385 1HB PHE 49 2HB PHE 49 -5.616 -10.618 -1.212 386 2HB PHE 49 1HB PHE 49 -5.060 -11.429 0.250 387 HD1 PHE 49 HD1 PHE 49 -4.588 -8.444 -1.904 388 HD2 PHE 49 HD2 PHE 49 -3.662 -10.312 1.847 389 HE1 PHE 49 HE1 PHE 49 -3.680 -6.298 -1.060 390 HE2 PHE 49 HE2 PHE 49 -2.748 -8.170 2.689 391 HZ PHE 49 HZ PHE 49 -2.757 -6.162 1.237 392 HA PRO 50 HA PRO 50 -2.751 -15.462 -0.102 393 1HB PRO 50 2HB PRO 50 -1.627 -15.112 2.430 394 2HB PRO 50 1HB PRO 50 -0.726 -15.238 0.912 395 1HG PRO 50 2HG PRO 50 -1.020 -12.952 2.616 396 2HG PRO 50 1HG PRO 50 -0.090 -13.092 1.117 397 1HD PRO 50 2HD PRO 50 -2.699 -11.849 1.555 398 2HD PRO 50 1HD PRO 50 -1.608 -11.700 0.170 399 H LYS 51 HN LYS 51 -3.535 -13.405 2.736 400 HA LYS 51 HA LYS 51 -5.790 -15.285 3.320 401 1HB LYS 51 2HB LYS 51 -3.662 -14.207 5.003 402 2HB LYS 51 1HB LYS 51 -5.258 -13.853 5.664 403 1HG LYS 51 2HG LYS 51 -5.302 -16.549 4.726 404 2HG LYS 51 1HG LYS 51 -3.836 -16.345 5.685 405 1HD LYS 51 2HD LYS 51 -5.722 -15.008 7.198 406 2HD LYS 51 1HD LYS 51 -6.647 -16.360 6.546 407 1HE LYS 51 2HE LYS 51 -4.344 -17.630 7.258 408 2HE LYS 51 1HE LYS 51 -4.410 -16.364 8.485 409 1HZ LYS 51 1HE LYS 51 -6.765 -18.031 7.842 410 2HZ LYS 51 2HE LYS 51 -6.482 -17.091 9.228 411 3HZ LYS 51 3HE LYS 51 -5.610 -18.528 8.980 412 H ARG 52 HN ARG 52 -7.764 -14.374 3.100 413 HA ARG 52 HA ARG 52 -8.081 -11.471 3.673 414 1HB ARG 52 2HB ARG 52 -9.299 -12.782 1.228 415 2HB ARG 52 1HB ARG 52 -9.329 -11.072 1.650 416 1HG ARG 52 2HG ARG 52 -7.435 -10.792 0.472 417 2HG ARG 52 1HG ARG 52 -6.600 -11.825 1.627 418 1HD ARG 52 2HD ARG 52 -6.304 -12.754 -0.602 419 2HD ARG 52 1HD ARG 52 -7.365 -13.820 0.318 420 HE ARG 52 HE ARG 52 -8.983 -11.936 -1.076 421 1HH1 ARG 52 1HH1 ARG 52 -6.857 -14.619 -1.646 422 2HH1 ARG 52 2HH1 ARG 52 -7.662 -15.099 -3.101 423 1HH2 ARG 52 1HH2 ARG 52 -10.022 -12.568 -2.966 424 2HH2 ARG 52 2HH2 ARG 52 -9.445 -13.944 -3.846 425 HA PRO 53 HA PRO 53 -9.339 -10.096 4.141 426 1HB PRO 53 2HB PRO 53 -10.908 -9.131 6.208 427 2HB PRO 53 1HB PRO 53 -11.359 -9.085 4.497 428 1HG PRO 53 2HG PRO 53 -12.551 -10.625 6.612 429 2HG PRO 53 1HG PRO 53 -13.040 -10.521 4.914 430 1HD PRO 53 2HD PRO 53 -11.499 -12.623 6.270 431 2HD PRO 53 1HD PRO 53 -12.338 -12.675 4.710 432 H LEU 54 HN LEU 54 -8.476 -8.705 6.080 433 HA LEU 54 HA LEU 54 -6.823 -10.461 7.733 434 1HB LEU 54 2HB LEU 54 -7.078 -7.443 7.617 435 2HB LEU 54 1HB LEU 54 -5.880 -8.307 8.584 436 HG LEU 54 HG LEU 54 -6.027 -9.144 5.754 437 1HD1 LEU 54 1HD1 LEU 54 -4.428 -7.004 5.393 438 2HD1 LEU 54 2HD1 LEU 54 -5.556 -6.319 6.562 439 3HD1 LEU 54 3HD1 LEU 54 -6.155 -6.968 5.035 440 1HD2 LEU 54 1HD2 LEU 54 -3.450 -8.594 6.236 441 2HD2 LEU 54 2HD2 LEU 54 -4.206 -10.070 6.839 442 3HD2 LEU 54 3HD2 LEU 54 -4.005 -8.681 7.908 443 HA PRO 55 HA PRO 55 -9.220 -10.581 11.432 444 1HB PRO 55 2HB PRO 55 -7.045 -10.335 13.236 445 2HB PRO 55 1HB PRO 55 -7.785 -11.828 12.645 446 1HG PRO 55 2HG PRO 55 -5.210 -10.746 12.009 447 2HG PRO 55 1HG PRO 55 -5.929 -12.269 11.470 448 1HD PRO 55 2HD PRO 55 -5.531 -9.859 9.956 449 2HD PRO 55 1HD PRO 55 -6.197 -11.403 9.408 450 H GLU 56 HN GLU 56 -10.376 -8.960 12.331 451 HA GLU 56 HA GLU 56 -10.953 -6.813 13.091 452 1HB GLU 56 2HB GLU 56 -8.481 -7.643 14.502 453 2HB GLU 56 1HB GLU 56 -8.878 -5.927 14.602 454 1HG GLU 56 HG2 GLU 56 -11.331 -7.124 15.018 455 2HG GLU 56 HG1 GLU 56 -10.226 -8.232 15.831 456 H ARG 57 HN ARG 57 -10.002 -6.695 10.489 457 HA ARG 57 HA ARG 57 -8.651 -4.040 10.525 458 1HB ARG 57 2HB ARG 57 -7.700 -6.536 9.186 459 2HB ARG 57 1HB ARG 57 -7.483 -5.006 8.339 460 1HG ARG 57 2HG ARG 57 -5.753 -4.460 9.658 461 2HG ARG 57 1HG ARG 57 -6.741 -4.681 11.102 462 1HD ARG 57 2HD ARG 57 -6.271 -7.282 10.300 463 2HD ARG 57 1HD ARG 57 -4.749 -6.477 9.913 464 HE ARG 57 HE ARG 57 -5.551 -5.664 12.514 465 1HH1 ARG 57 1HH2 ARG 57 -4.459 -8.458 10.775 466 2HH1 ARG 57 2HH2 ARG 57 -3.725 -9.183 12.164 467 1HH2 ARG 57 1HH1 ARG 57 -4.587 -6.609 14.314 468 2HH2 ARG 57 2HH1 ARG 57 -3.794 -8.141 14.158 469 H THR 58 HN THR 58 -9.606 -2.623 9.137 470 HA THR 58 HA THR 58 -11.824 -3.626 7.460 471 HB THR 58 HB THR 58 -10.959 -0.745 7.751 472 HG1 THR 58 HG1 THR 58 -11.247 -1.324 9.820 473 1HG2 THR 58 1HG2 THR 58 -13.483 -0.471 7.493 474 2HG2 THR 58 2HG2 THR 58 -13.530 -2.185 7.080 475 3HG2 THR 58 3HG2 THR 58 -12.624 -1.059 6.070 476 H ASN 59 HN ASN 59 -11.418 -4.132 5.368 477 HA ASN 59 HA ASN 59 -9.225 -2.651 3.968 478 1HB ASN 59 2HB ASN 59 -10.018 -5.410 3.098 479 2HB ASN 59 1HB ASN 59 -8.458 -4.603 2.959 480 1HD2 ASN 59 1HD2 ASN 59 -8.090 -3.806 5.695 481 2HD2 ASN 59 2HD2 ASN 59 -7.929 -5.207 6.641 482 H VAL 60 HN VAL 60 -9.701 -2.049 1.774 483 HA VAL 60 HA VAL 60 -12.536 -2.524 0.958 484 HB VAL 60 HB VAL 60 -10.932 0.007 0.488 485 1HG1 VAL 60 1HG1 VAL 60 -12.514 0.113 -1.168 486 2HG1 VAL 60 2HG1 VAL 60 -13.527 0.680 0.160 487 3HG1 VAL 60 3HG1 VAL 60 -13.598 -1.008 -0.346 488 1HG2 VAL 60 1HG2 VAL 60 -13.311 -0.243 2.322 489 2HG2 VAL 60 2HG2 VAL 60 -12.074 1.011 2.283 490 3HG2 VAL 60 3HG2 VAL 60 -11.687 -0.588 2.917 491 H VAL 61 HN VAL 61 -12.819 -3.174 -1.143 492 HA VAL 61 HA VAL 61 -10.354 -3.585 -2.757 493 HB VAL 61 HB VAL 61 -13.140 -4.660 -3.273 494 1HG1 VAL 61 1HG1 VAL 61 -11.266 -4.605 -5.073 495 2HG1 VAL 61 2HG1 VAL 61 -12.108 -6.129 -4.795 496 3HG1 VAL 61 3HG1 VAL 61 -10.507 -5.868 -4.104 497 1HG2 VAL 61 1HG2 VAL 61 -12.864 -6.073 -1.543 498 2HG2 VAL 61 2HG2 VAL 61 -11.320 -5.316 -1.153 499 3HG2 VAL 61 3HG2 VAL 61 -11.378 -6.672 -2.279 500 H LEU 62 HN LEU 62 -10.248 -2.856 -4.939 501 HA LEU 62 HA LEU 62 -12.333 -0.838 -5.673 502 1HB LEU 62 2HB LEU 62 -9.420 -0.608 -5.490 503 2HB LEU 62 1HB LEU 62 -10.034 -0.122 -7.071 504 HG LEU 62 HG LEU 62 -11.767 1.273 -5.836 505 1HD1 LEU 62 1HD1 LEU 62 -10.040 0.335 -3.557 506 2HD1 LEU 62 2HD1 LEU 62 -11.799 0.431 -3.649 507 3HD1 LEU 62 3HD1 LEU 62 -10.844 1.903 -3.470 508 1HD2 LEU 62 1HD2 LEU 62 -9.330 2.541 -4.903 509 2HD2 LEU 62 2HD2 LEU 62 -10.361 2.990 -6.260 510 3HD2 LEU 62 3HD2 LEU 62 -9.070 1.812 -6.487 511 H THR 63 HN THR 63 -13.392 -1.354 -7.501 512 HA THR 63 HA THR 63 -11.965 -2.765 -9.684 513 HB THR 63 HB THR 63 -12.933 -4.560 -8.267 514 HG1 THR 63 HG1 THR 63 -13.094 -5.400 -10.171 515 1HG2 THR 63 1HG2 THR 63 -15.475 -4.721 -8.281 516 2HG2 THR 63 2HG2 THR 63 -15.490 -3.042 -8.814 517 3HG2 THR 63 3HG2 THR 63 -14.801 -3.461 -7.248 518 H HIS 64 HN HIS 64 -13.217 -2.749 -11.710 519 HA HIS 64 HA HIS 64 -14.938 -0.333 -11.865 520 1HB HIS 64 2HB HIS 64 -13.180 -1.812 -13.751 521 2HB HIS 64 1HB HIS 64 -14.630 -1.088 -14.445 522 HD1 HIS 64 HD1 HIS 64 -14.838 1.504 -14.364 523 HD2 HIS 64 HD2 HIS 64 -11.254 0.057 -12.801 524 HE1 HIS 64 HE1 HIS 64 -13.307 3.505 -14.112 525 H GLN 65 HN GLN 65 -15.426 -3.557 -11.364 526 HA GLN 65 HA GLN 65 -17.541 -4.085 -13.280 527 1HB GLN 65 2HB GLN 65 -16.633 -5.411 -10.724 528 2HB GLN 65 1HB GLN 65 -18.088 -5.945 -11.564 529 1HG GLN 65 2HG GLN 65 -16.490 -7.312 -12.556 530 2HG GLN 65 1HG GLN 65 -16.496 -5.947 -13.673 531 1HE2 GLN 65 1HE2 GLN 65 -14.717 -4.347 -13.451 532 2HE2 GLN 65 2HE2 GLN 65 -13.263 -4.792 -12.700 533 H GLU 66 HN GLU 66 -19.800 -4.721 -12.248 534 HA GLU 66 HA GLU 66 -20.602 -2.459 -10.461 535 1HB GLU 66 2HB GLU 66 -21.630 -3.360 -13.026 536 2HB GLU 66 1HB GLU 66 -22.896 -3.380 -11.798 537 1HG GLU 66 HG2 GLU 66 -23.081 -1.167 -12.330 538 2HG GLU 66 HG1 GLU 66 -21.711 -0.998 -11.232 539 H ASP 67 HN ASP 67 -20.760 -5.905 -11.039 540 HA ASP 67 HA ASP 67 -22.582 -6.183 -8.689 541 1HB ASP 67 2HB ASP 67 -22.180 -7.746 -11.182 542 2HB ASP 67 1HB ASP 67 -22.502 -8.679 -9.720 543 H TYR 68 HN TYR 68 -19.646 -5.696 -8.517 544 HA TYR 68 HA TYR 68 -18.227 -8.099 -7.944 545 1HB TYR 68 2HB TYR 68 -17.438 -5.563 -8.019 546 2HB TYR 68 1HB TYR 68 -17.732 -5.654 -6.282 547 HD1 TYR 68 HD1 TYR 68 -15.783 -7.077 -9.095 548 HD2 TYR 68 HD2 TYR 68 -16.341 -6.993 -4.835 549 HE1 TYR 68 HE1 TYR 68 -13.646 -8.297 -8.790 550 HE2 TYR 68 HE2 TYR 68 -14.201 -8.210 -4.531 551 HH TYR 68 HH TYR 68 -11.973 -8.416 -6.050 552 H GLN 69 HN GLN 69 -18.749 -9.613 -6.437 553 HA GLN 69 HA GLN 69 -20.309 -8.740 -4.048 554 1HB GLN 69 2HB GLN 69 -19.933 -11.495 -5.263 555 2HB GLN 69 1HB GLN 69 -20.891 -11.147 -3.823 556 1HG GLN 69 2HG GLN 69 -21.421 -9.683 -6.400 557 2HG GLN 69 1HG GLN 69 -22.116 -11.279 -6.117 558 1HE2 GLN 69 1HE2 GLN 69 -22.990 -8.138 -5.918 559 2HE2 GLN 69 2HE2 GLN 69 -24.027 -8.188 -4.575 560 H ALA 70 HN ALA 70 -19.031 -8.404 -2.296 561 HA ALA 70 HA ALA 70 -16.948 -10.439 -1.679 562 1HB ALA 70 1HB ALA 70 -15.964 -8.335 -2.779 563 2HB ALA 70 2HB ALA 70 -15.275 -8.806 -1.225 564 3HB ALA 70 3HB ALA 70 -16.437 -7.482 -1.309 565 H GLN 71 HN GLN 71 -18.428 -11.207 -0.063 566 HA GLN 71 HA GLN 71 -19.544 -9.447 1.947 567 1HB GLN 71 2HB GLN 71 -19.181 -12.449 1.805 568 2HB GLN 71 1HB GLN 71 -19.949 -11.644 3.174 569 1HG GLN 71 2HG GLN 71 -21.144 -10.552 0.852 570 2HG GLN 71 1HG GLN 71 -21.078 -12.296 0.598 571 1HE2 GLN 71 1HE2 GLN 71 -22.291 -9.785 2.829 572 2HE2 GLN 71 2HE2 GLN 71 -23.447 -10.778 3.576 573 H GLY 72 HN GLY 72 -18.439 -8.540 3.599 574 1HA GLY 72 2HA GLY 72 -17.048 -8.845 5.605 575 2HA GLY 72 1HA GLY 72 -16.082 -10.008 4.695 576 H ALA 73 HN ALA 73 -15.885 -8.410 2.271 577 HA ALA 73 HA ALA 73 -13.997 -6.336 3.287 578 1HB ALA 73 1HB ALA 73 -12.642 -6.741 1.440 579 2HB ALA 73 2HB ALA 73 -13.980 -7.342 0.461 580 3HB ALA 73 3HB ALA 73 -13.299 -8.350 1.738 581 H VAL 74 HN VAL 74 -14.200 -4.251 2.605 582 HA VAL 74 HA VAL 74 -16.740 -3.317 1.638 583 HB VAL 74 HB VAL 74 -14.133 -1.785 1.537 584 1HG1 VAL 74 1HG1 VAL 74 -16.800 -1.139 0.847 585 2HG1 VAL 74 2HG1 VAL 74 -15.430 -0.037 0.975 586 3HG1 VAL 74 3HG1 VAL 74 -16.470 -0.315 2.371 587 1HG2 VAL 74 1HG2 VAL 74 -15.792 -1.319 3.885 588 2HG2 VAL 74 2HG2 VAL 74 -14.072 -1.694 3.792 589 3HG2 VAL 74 3HG2 VAL 74 -15.258 -2.997 3.802 590 H VAL 75 HN VAL 75 -17.369 -2.628 -0.412 591 HA VAL 75 HA VAL 75 -15.430 -3.143 -2.637 592 HB VAL 75 HB VAL 75 -18.418 -3.648 -2.730 593 1HG1 VAL 75 1HG1 VAL 75 -16.550 -4.924 -4.638 594 2HG1 VAL 75 2HG1 VAL 75 -16.693 -3.173 -4.795 595 3HG1 VAL 75 3HG1 VAL 75 -18.127 -4.191 -4.926 596 1HG2 VAL 75 1HG2 VAL 75 -16.174 -5.287 -1.766 597 2HG2 VAL 75 2HG2 VAL 75 -17.136 -6.082 -3.011 598 3HG2 VAL 75 3HG2 VAL 75 -17.907 -5.509 -1.532 599 H VAL 76 HN VAL 76 -15.161 -1.417 -3.982 600 HA VAL 76 HA VAL 76 -17.366 0.533 -4.311 601 HB VAL 76 HB VAL 76 -15.793 2.434 -3.903 602 1HG1 VAL 76 1HG1 VAL 76 -17.345 1.559 -2.136 603 2HG1 VAL 76 2HG1 VAL 76 -15.891 2.309 -1.479 604 3HG1 VAL 76 3HG1 VAL 76 -16.027 0.551 -1.538 605 1HG2 VAL 76 1HG2 VAL 76 -13.742 1.726 -2.471 606 2HG2 VAL 76 2HG2 VAL 76 -13.642 1.515 -4.219 607 3HG2 VAL 76 3HG2 VAL 76 -13.984 0.130 -3.182 608 H HIS 77 HN HIS 77 -16.878 2.049 -6.141 609 HA HIS 77 HA HIS 77 -14.774 1.057 -7.997 610 1HB HIS 77 2HB HIS 77 -17.503 1.714 -9.078 611 2HB HIS 77 1HB HIS 77 -16.242 0.711 -9.789 612 HD1 HIS 77 HD1 HIS 77 -15.663 -1.367 -7.757 613 HD2 HIS 77 HD2 HIS 77 -19.548 0.008 -8.384 614 HE1 HIS 77 HE1 HIS 77 -17.211 -3.174 -6.889 615 H ASP 78 HN ASP 78 -14.912 3.451 -6.351 616 HA ASP 78 HA ASP 78 -14.347 5.415 -8.390 617 1HB ASP 78 2HB ASP 78 -17.063 5.211 -7.592 618 2HB ASP 78 1HB ASP 78 -16.426 6.678 -6.847 619 H VAL 79 HN VAL 79 -12.494 6.086 -7.383 620 HA VAL 79 HA VAL 79 -11.805 6.127 -4.714 621 HB VAL 79 HB VAL 79 -11.158 8.221 -6.810 622 1HG1 VAL 79 1HG1 VAL 79 -10.507 9.310 -4.861 623 2HG1 VAL 79 2HG1 VAL 79 -9.055 8.373 -5.212 624 3HG1 VAL 79 3HG1 VAL 79 -10.203 7.802 -3.999 625 1HG2 VAL 79 1HG2 VAL 79 -9.636 5.787 -5.824 626 2HG2 VAL 79 2HG2 VAL 79 -9.083 6.917 -7.060 627 3HG2 VAL 79 3HG2 VAL 79 -10.491 5.899 -7.362 628 H ALA 80 HN ALA 80 -14.039 8.313 -6.310 629 HA ALA 80 HA ALA 80 -14.100 10.403 -4.376 630 1HB ALA 80 1HB ALA 80 -16.507 9.383 -5.899 631 2HB ALA 80 2HB ALA 80 -15.245 10.351 -6.662 632 3HB ALA 80 3HB ALA 80 -16.198 11.027 -5.340 633 H ALA 81 HN ALA 81 -15.877 7.309 -4.554 634 HA ALA 81 HA ALA 81 -17.461 7.771 -2.203 635 1HB ALA 81 1HB ALA 81 -18.251 6.061 -3.624 636 2HB ALA 81 2HB ALA 81 -17.572 5.178 -2.257 637 3HB ALA 81 3HB ALA 81 -16.659 5.316 -3.759 638 H VAL 82 HN VAL 82 -14.402 5.971 -2.732 639 HA VAL 82 HA VAL 82 -14.024 5.086 -0.073 640 HB VAL 82 HB VAL 82 -11.736 6.079 -1.779 641 1HG1 VAL 82 1HG1 VAL 82 -11.921 4.708 0.665 642 2HG1 VAL 82 2HG1 VAL 82 -10.479 4.891 -0.333 643 3HG1 VAL 82 3HG1 VAL 82 -11.504 3.469 -0.519 644 1HG2 VAL 82 1HG2 VAL 82 -12.931 4.845 -3.387 645 2HG2 VAL 82 2HG2 VAL 82 -13.541 3.700 -2.193 646 3HG2 VAL 82 3HG2 VAL 82 -11.851 3.637 -2.692 647 H PHE 83 HN PHE 83 -13.233 8.212 -1.553 648 HA PHE 83 HA PHE 83 -11.865 9.308 0.720 649 1HB PHE 83 2HB PHE 83 -13.147 10.397 -1.750 650 2HB PHE 83 1HB PHE 83 -12.834 11.524 -0.431 651 HD1 PHE 83 HD1 PHE 83 -11.473 10.308 -3.359 652 HD2 PHE 83 HD2 PHE 83 -10.395 10.987 0.741 653 HE1 PHE 83 HE1 PHE 83 -9.082 10.420 -4.006 654 HE2 PHE 83 HE2 PHE 83 -8.005 11.098 0.094 655 HZ PHE 83 HZ PHE 83 -7.348 10.815 -2.279 656 H ALA 84 HN ALA 84 -15.249 8.900 -0.066 657 HA ALA 84 HA ALA 84 -16.217 10.818 1.892 658 1HB ALA 84 1HB ALA 84 -17.372 8.935 -0.041 659 2HB ALA 84 2HB ALA 84 -17.964 10.509 0.488 660 3HB ALA 84 3HB ALA 84 -18.307 9.071 1.448 661 H TYR 85 HN TYR 85 -15.216 7.449 2.050 662 HA TYR 85 HA TYR 85 -16.688 6.894 4.502 663 1HB TYR 85 2HB TYR 85 -15.664 5.244 2.693 664 2HB TYR 85 1HB TYR 85 -14.236 5.360 3.721 665 HD1 TYR 85 HD1 TYR 85 -17.876 4.555 3.738 666 HD2 TYR 85 HD2 TYR 85 -14.129 4.234 5.811 667 HE1 TYR 85 HE1 TYR 85 -18.902 2.973 5.351 668 HE2 TYR 85 HE2 TYR 85 -15.152 2.652 7.421 669 HH TYR 85 HH TYR 85 -17.082 1.069 7.466 670 H ALA 86 HN ALA 86 -13.217 7.407 3.759 671 HA ALA 86 HA ALA 86 -12.257 7.447 6.410 672 1HB ALA 86 1HB ALA 86 -10.559 7.544 4.814 673 2HB ALA 86 2HB ALA 86 -10.587 9.212 5.382 674 3HB ALA 86 3HB ALA 86 -11.382 8.783 3.867 675 H LYS 87 HN LYS 87 -13.739 10.042 4.504 676 HA LYS 87 HA LYS 87 -13.371 12.125 6.444 677 1HB LYS 87 2HB LYS 87 -14.644 11.813 3.892 678 2HB LYS 87 1HB LYS 87 -15.796 12.562 4.998 679 1HG LYS 87 2HG LYS 87 -14.487 14.443 5.311 680 2HG LYS 87 1HG LYS 87 -12.982 13.577 4.999 681 1HD LYS 87 2HD LYS 87 -14.436 13.385 2.602 682 2HD LYS 87 1HD LYS 87 -14.666 15.048 3.143 683 1HE LYS 87 2HE LYS 87 -11.923 13.812 3.187 684 2HE LYS 87 1HE LYS 87 -12.571 14.477 1.688 685 1HZ LYS 87 1HE LYS 87 -11.778 16.401 2.459 686 2HZ LYS 87 2HE LYS 87 -11.644 15.835 4.055 687 3HZ LYS 87 3HE LYS 87 -13.133 16.413 3.478 688 H GLN 88 HN GLN 88 -15.714 9.528 6.113 689 HA GLN 88 HA GLN 88 -17.506 10.711 8.125 690 1HB GLN 88 2HB GLN 88 -17.656 8.611 6.138 691 2HB GLN 88 1HB GLN 88 -18.216 8.018 7.701 692 1HG GLN 88 2HG GLN 88 -20.079 9.307 7.649 693 2HG GLN 88 1HG GLN 88 -19.191 10.717 7.070 694 1HE2 GLN 88 1HE2 GLN 88 -18.503 10.535 4.642 695 2HE2 GLN 88 2HE2 GLN 88 -19.631 9.830 3.588 696 H HIS 89 HN HIS 89 -14.871 8.356 8.075 697 HA HIS 89 HA HIS 89 -15.612 7.382 10.763 698 1HB HIS 89 2HB HIS 89 -13.737 6.550 8.615 699 2HB HIS 89 1HB HIS 89 -13.235 6.202 10.269 700 HD1 HIS 89 HD1 HIS 89 -14.024 3.983 11.055 701 HD2 HIS 89 HD2 HIS 89 -16.688 5.658 8.322 702 HE1 HIS 89 HE1 HIS 89 -15.899 2.306 10.764 703 HA PRO 90 HA PRO 90 -12.816 10.468 12.543 704 1HB PRO 90 2HB PRO 90 -13.806 10.117 15.101 705 2HB PRO 90 1HB PRO 90 -14.496 11.215 13.896 706 1HG PRO 90 2HG PRO 90 -15.618 8.781 14.968 707 2HG PRO 90 1HG PRO 90 -16.363 9.961 13.879 708 1HD PRO 90 2HD PRO 90 -15.199 7.362 13.240 709 2HD PRO 90 1HD PRO 90 -16.194 8.422 12.227 710 H ASP 91 HN ASP 91 -12.779 7.161 12.759 711 HA ASP 91 HA ASP 91 -10.321 7.219 14.436 712 1HB ASP 91 2HB ASP 91 -12.733 5.450 14.858 713 2HB ASP 91 1HB ASP 91 -11.131 4.987 15.434 714 H GLN 92 HN GLN 92 -11.452 6.670 11.517 715 HA GLN 92 HA GLN 92 -9.463 4.562 10.936 716 1HB GLN 92 2HB GLN 92 -12.082 3.817 11.189 717 2HB GLN 92 1HB GLN 92 -12.031 4.257 9.482 718 1HG GLN 92 2HG GLN 92 -10.322 2.676 9.017 719 2HG GLN 92 1HG GLN 92 -9.951 2.466 10.723 720 1HE2 GLN 92 1HE2 GLN 92 -12.613 1.931 8.364 721 2HE2 GLN 92 2HE2 GLN 92 -13.260 0.587 9.173 722 H GLU 93 HN GLU 93 -8.189 5.966 9.652 723 HA GLU 93 HA GLU 93 -9.531 7.820 7.828 724 1HB GLU 93 2HB GLU 93 -6.745 7.329 8.779 725 2HB GLU 93 1HB GLU 93 -6.941 8.122 7.218 726 1HG GLU 93 HG2 GLU 93 -8.537 9.733 8.344 727 2HG GLU 93 HG1 GLU 93 -8.048 9.027 9.885 728 H LEU 94 HN LEU 94 -7.676 7.744 5.709 729 HA LEU 94 HA LEU 94 -8.513 5.218 4.365 730 1HB LEU 94 2HB LEU 94 -8.952 7.731 3.527 731 2HB LEU 94 1HB LEU 94 -7.349 7.496 2.832 732 HG LEU 94 HG LEU 94 -8.263 5.273 1.911 733 1HD1 LEU 94 1HD1 LEU 94 -10.954 6.134 1.636 734 2HD1 LEU 94 2HD1 LEU 94 -10.564 6.252 3.350 735 3HD1 LEU 94 3HD1 LEU 94 -10.365 4.718 2.505 736 1HD2 LEU 94 1HD2 LEU 94 -7.830 7.065 0.395 737 2HD2 LEU 94 2HD2 LEU 94 -9.198 7.999 0.995 738 3HD2 LEU 94 3HD2 LEU 94 -9.476 6.543 0.040 739 H VAL 95 HN VAL 95 -6.906 3.708 4.271 740 HA VAL 95 HA VAL 95 -4.089 4.699 4.065 741 HB VAL 95 HB VAL 95 -5.032 2.008 5.106 742 1HG1 VAL 95 1HG1 VAL 95 -2.708 2.226 4.079 743 2HG1 VAL 95 2HG1 VAL 95 -2.749 1.678 5.755 744 3HG1 VAL 95 3HG1 VAL 95 -2.334 3.352 5.384 745 1HG2 VAL 95 1HG2 VAL 95 -4.189 4.542 6.541 746 2HG2 VAL 95 2HG2 VAL 95 -4.298 2.966 7.326 747 3HG2 VAL 95 3HG2 VAL 95 -5.745 3.721 6.657 748 H ILE 96 HN ILE 96 -3.139 4.296 2.132 749 HA ILE 96 HA ILE 96 -4.539 2.586 0.195 750 HB ILE 96 HB ILE 96 -1.871 3.925 -0.250 751 1HG1 ILE 96 2HG1 ILE 96 -3.394 5.626 0.691 752 2HG1 ILE 96 1HG1 ILE 96 -3.130 5.914 -1.023 753 1HG2 ILE 96 1HG2 ILE 96 -2.218 3.034 -2.288 754 2HG2 ILE 96 2HG2 ILE 96 -3.594 4.115 -2.469 755 3HG2 ILE 96 3HG2 ILE 96 -3.828 2.486 -1.833 756 1HD1 ILE 96 1HD1 ILE 96 -5.261 4.553 -1.426 757 2HD1 ILE 96 2HD1 ILE 96 -5.470 6.151 -0.708 758 3HD1 ILE 96 3HD1 ILE 96 -5.557 4.711 0.305 759 H ALA 97 HN ALA 97 -3.776 0.667 -0.627 760 HA ALA 97 HA ALA 97 -1.325 -0.468 0.647 761 1HB ALA 97 1HB ALA 97 -4.072 -1.623 0.336 762 2HB ALA 97 2HB ALA 97 -2.954 -1.751 1.692 763 3HB ALA 97 3HB ALA 97 -2.686 -2.708 0.235 764 H GLY 98 HN GLY 98 -2.691 0.592 -2.161 765 1HA GLY 98 2HA GLY 98 -1.540 0.472 -4.261 766 2HA GLY 98 1HA GLY 98 -0.830 -1.059 -3.762 767 H GLY 99 HN GLY 99 -3.150 -2.363 -6.146 768 1HA GLY 99 2HA GLY 99 -0.414 -2.067 -5.278 769 2HA GLY 99 1HA GLY 99 -0.949 -2.605 -6.864 770 H ALA 100 HN ALA 100 0.314 -1.341 -8.169 771 HA ALA 100 HA ALA 100 0.978 1.400 -7.690 772 1HB ALA 100 1HB ALA 100 2.375 0.793 -9.356 773 2HB ALA 100 2HB ALA 100 1.028 1.057 -10.463 774 3HB ALA 100 3HB ALA 100 1.339 -0.555 -9.821 775 H GLN 101 HN GLN 101 -1.712 -0.122 -9.412 776 HA GLN 101 HA GLN 101 -2.713 2.210 -10.674 777 1HB GLN 101 2HB GLN 101 -3.646 -0.479 -10.181 778 2HB GLN 101 1HB GLN 101 -4.960 0.671 -9.926 779 1HG GLN 101 2HG GLN 101 -4.210 1.743 -12.151 780 2HG GLN 101 1HG GLN 101 -3.292 0.260 -12.410 781 1HE2 GLN 101 1HE2 GLN 101 -6.616 1.486 -11.882 782 2HE2 GLN 101 2HE2 GLN 101 -7.389 0.146 -12.581 783 H ILE 102 HN ILE 102 -3.312 0.962 -7.345 784 HA ILE 102 HA ILE 102 -5.213 3.084 -6.798 785 HB ILE 102 HB ILE 102 -3.697 1.330 -4.845 786 1HG1 ILE 102 2HG1 ILE 102 -4.885 -0.047 -6.500 787 2HG1 ILE 102 1HG1 ILE 102 -5.709 -0.126 -4.943 788 1HG2 ILE 102 1HG2 ILE 102 -6.266 2.926 -4.648 789 2HG2 ILE 102 2HG2 ILE 102 -4.772 3.213 -3.757 790 3HG2 ILE 102 3HG2 ILE 102 -5.728 1.767 -3.434 791 1HD1 ILE 102 1HD1 ILE 102 -6.581 1.168 -7.485 792 2HD1 ILE 102 2HD1 ILE 102 -7.032 1.963 -5.978 793 3HD1 ILE 102 3HD1 ILE 102 -7.535 0.301 -6.282 794 H PHE 103 HN PHE 103 -1.708 2.756 -6.536 795 HA PHE 103 HA PHE 103 -1.386 4.953 -4.675 796 1HB PHE 103 2HB PHE 103 0.527 3.634 -6.625 797 2HB PHE 103 1HB PHE 103 1.007 4.893 -5.490 798 HD1 PHE 103 HD1 PHE 103 1.582 1.683 -5.834 799 HD2 PHE 103 HD2 PHE 103 -0.590 4.178 -3.094 800 HE1 PHE 103 HE1 PHE 103 1.848 -0.031 -4.061 801 HE2 PHE 103 HE2 PHE 103 -0.327 2.463 -1.324 802 HZ PHE 103 HZ PHE 103 0.892 0.360 -1.806 803 H THR 104 HN THR 104 -1.857 4.691 -8.112 804 HA THR 104 HA THR 104 -0.808 7.358 -8.684 805 HB THR 104 HB THR 104 -1.091 5.192 -10.236 806 HG1 THR 104 HG1 THR 104 -0.100 6.587 -11.408 807 1HG2 THR 104 1HG2 THR 104 -2.927 5.545 -11.852 808 2HG2 THR 104 2HG2 THR 104 -3.549 6.856 -10.852 809 3HG2 THR 104 3HG2 THR 104 -3.543 5.203 -10.237 810 H ALA 105 HN ALA 105 -4.099 5.938 -8.580 811 HA ALA 105 HA ALA 105 -5.460 8.379 -9.168 812 1HB ALA 105 1HB ALA 105 -6.605 6.252 -7.366 813 2HB ALA 105 2HB ALA 105 -6.381 5.958 -9.091 814 3HB ALA 105 3HB ALA 105 -7.439 7.260 -8.548 815 H PHE 106 HN PHE 106 -4.157 7.111 -6.158 816 HA PHE 106 HA PHE 106 -5.442 9.312 -4.631 817 1HB PHE 106 2HB PHE 106 -3.915 6.829 -3.844 818 2HB PHE 106 1HB PHE 106 -4.290 8.097 -2.678 819 HD1 PHE 106 HD1 PHE 106 -6.648 8.652 -2.140 820 HD2 PHE 106 HD2 PHE 106 -5.630 5.363 -4.701 821 HE1 PHE 106 HE1 PHE 106 -8.924 7.717 -1.848 822 HE2 PHE 106 HE2 PHE 106 -7.905 4.429 -4.412 823 HZ PHE 106 HZ PHE 106 -9.552 5.605 -2.983 824 H LYS 107 HN LYS 107 -2.561 8.755 -6.291 825 HA LYS 107 HA LYS 107 -0.596 9.828 -4.579 826 1HB LYS 107 2HB LYS 107 0.757 10.219 -6.503 827 2HB LYS 107 1HB LYS 107 -0.206 8.792 -6.854 828 1HG LYS 107 2HG LYS 107 -0.959 9.788 -8.716 829 2HG LYS 107 1HG LYS 107 -1.726 11.024 -7.725 830 1HD LYS 107 2HD LYS 107 0.417 12.284 -7.678 831 2HD LYS 107 1HD LYS 107 1.132 11.064 -8.731 832 1HE LYS 107 2HE LYS 107 0.240 12.037 -10.552 833 2HE LYS 107 1HE LYS 107 -1.374 11.977 -9.844 834 1HZ LYS 107 1HE LYS 107 0.684 14.071 -9.419 835 2HZ LYS 107 2HE LYS 107 -0.776 13.982 -8.554 836 3HZ LYS 107 3HE LYS 107 -0.794 14.244 -10.233 837 H ASP 108 HN ASP 108 -3.024 11.584 -6.518 838 HA ASP 108 HA ASP 108 -1.855 14.178 -6.121 839 1HB ASP 108 2HB ASP 108 -3.842 13.271 -7.682 840 2HB ASP 108 1HB ASP 108 -4.813 13.898 -6.350 841 H ASP 109 HN ASP 109 -4.216 12.276 -4.266 842 HA ASP 109 HA ASP 109 -4.261 14.437 -2.206 843 1HB ASP 109 2HB ASP 109 -6.160 12.240 -2.978 844 2HB ASP 109 1HB ASP 109 -6.212 12.902 -1.342 845 H VAL 110 HN VAL 110 -2.168 13.786 -1.273 846 HA VAL 110 HA VAL 110 -2.322 11.178 0.189 847 HB VAL 110 HB VAL 110 0.227 12.662 -0.459 848 1HG1 VAL 110 1HG1 VAL 110 -0.550 10.117 0.812 849 2HG1 VAL 110 2HG1 VAL 110 0.920 11.072 1.005 850 3HG1 VAL 110 3HG1 VAL 110 0.755 9.976 -0.365 851 1HG2 VAL 110 1HG2 VAL 110 0.220 10.563 -2.194 852 2HG2 VAL 110 2HG2 VAL 110 -0.263 12.197 -2.636 853 3HG2 VAL 110 3HG2 VAL 110 -1.489 10.999 -2.212 854 H ASP 111 HN ASP 111 -1.583 11.191 2.381 855 HA ASP 111 HA ASP 111 -1.235 13.909 3.580 856 1HB ASP 111 2HB ASP 111 -3.066 11.669 4.336 857 2HB ASP 111 1HB ASP 111 -2.345 12.615 5.638 858 H THR 112 HN THR 112 -0.537 10.448 3.760 859 HA THR 112 HA THR 112 2.015 11.079 5.136 860 HB THR 112 HB THR 112 0.311 8.792 6.122 861 HG1 THR 112 HG1 THR 112 0.408 11.407 7.208 862 1HG2 THR 112 1HG2 THR 112 2.830 10.160 6.886 863 2HG2 THR 112 2HG2 THR 112 2.359 8.472 7.083 864 3HG2 THR 112 3HG2 THR 112 1.774 9.689 8.217 865 H LEU 113 HN LEU 113 3.632 9.962 4.117 866 HA LEU 113 HA LEU 113 2.819 7.658 2.399 867 1HB LEU 113 2HB LEU 113 5.260 9.447 2.247 868 2HB LEU 113 1HB LEU 113 4.934 8.094 1.168 869 HG LEU 113 HG LEU 113 2.815 10.179 1.509 870 1HD1 LEU 113 1HD1 LEU 113 5.044 11.346 1.111 871 2HD1 LEU 113 2HD1 LEU 113 3.814 11.635 -0.119 872 3HD1 LEU 113 3HD1 LEU 113 5.122 10.491 -0.430 873 1HD2 LEU 113 1HD2 LEU 113 2.926 9.544 -1.112 874 2HD2 LEU 113 2HD2 LEU 113 2.038 8.575 0.063 875 3HD2 LEU 113 3HD2 LEU 113 3.657 8.089 -0.436 876 H LEU 114 HN LEU 114 3.632 5.659 2.826 877 HA LEU 114 HA LEU 114 5.870 5.438 4.797 878 1HB LEU 114 2HB LEU 114 3.363 3.739 4.573 879 2HB LEU 114 1HB LEU 114 4.745 3.337 5.594 880 HG LEU 114 HG LEU 114 3.680 6.086 5.907 881 1HD1 LEU 114 1HD1 LEU 114 1.526 5.322 6.007 882 2HD1 LEU 114 2HD1 LEU 114 2.014 4.795 7.617 883 3HD1 LEU 114 3HD1 LEU 114 2.022 3.652 6.274 884 1HD2 LEU 114 1HD2 LEU 114 5.541 4.923 7.228 885 2HD2 LEU 114 2HD2 LEU 114 4.271 3.957 7.974 886 3HD2 LEU 114 3HD2 LEU 114 4.286 5.708 8.186 887 H VAL 115 HN VAL 115 7.423 5.055 3.197 888 HA VAL 115 HA VAL 115 6.901 2.732 1.392 889 HB VAL 115 HB VAL 115 7.371 4.865 0.250 890 1HG1 VAL 115 1HG1 VAL 115 8.843 6.250 1.256 891 2HG1 VAL 115 2HG1 VAL 115 10.111 5.231 0.578 892 3HG1 VAL 115 3HG1 VAL 115 9.532 4.944 2.217 893 1HG2 VAL 115 1HG2 VAL 115 8.017 2.811 -0.870 894 2HG2 VAL 115 2HG2 VAL 115 9.525 2.741 0.044 895 3HG2 VAL 115 3HG2 VAL 115 9.275 4.016 -1.149 896 H THR 116 HN THR 116 8.326 1.030 1.284 897 HA THR 116 HA THR 116 10.494 0.985 3.345 898 HB THR 116 HB THR 116 9.438 -1.520 2.080 899 HG1 THR 116 HG1 THR 116 7.776 -1.569 3.612 900 1HG2 THR 116 1HG2 THR 116 10.899 -0.670 4.504 901 2HG2 THR 116 2HG2 THR 116 11.025 -2.164 3.575 902 3HG2 THR 116 3HG2 THR 116 9.723 -1.961 4.747 903 H ARG 117 HN ARG 117 12.441 1.324 2.350 904 HA ARG 117 HA ARG 117 12.781 0.496 -0.476 905 1HB ARG 117 2HB ARG 117 14.147 2.379 1.383 906 2HB ARG 117 1HB ARG 117 15.148 1.622 0.144 907 1HG ARG 117 2HG ARG 117 13.008 2.314 -1.361 908 2HG ARG 117 1HG ARG 117 12.944 3.591 -0.147 909 1HD ARG 117 2HD ARG 117 15.616 3.547 -0.703 910 2HD ARG 117 1HD ARG 117 14.943 3.114 -2.270 911 HE ARG 117 HE ARG 117 14.243 5.616 -0.787 912 1HH1 ARG 117 1HH2 ARG 117 14.587 3.773 -3.724 913 2HH1 ARG 117 2HH2 ARG 117 14.216 5.121 -4.739 914 1HH2 ARG 117 1HH1 ARG 117 13.761 7.344 -2.130 915 2HH2 ARG 117 2HH1 ARG 117 13.751 7.126 -3.848 916 H LEU 118 HN LEU 118 13.548 -1.538 -0.836 917 HA LEU 118 HA LEU 118 15.011 -2.969 1.278 918 1HB LEU 118 2HB LEU 118 14.179 -3.758 -1.531 919 2HB LEU 118 1HB LEU 118 15.091 -4.817 -0.460 920 HG LEU 118 HG LEU 118 13.201 -4.387 1.255 921 1HD1 LEU 118 1HD1 LEU 118 11.022 -4.074 -0.303 922 2HD1 LEU 118 2HD1 LEU 118 12.170 -3.091 -1.210 923 3HD1 LEU 118 3HD1 LEU 118 11.833 -2.717 0.480 924 1HD2 LEU 118 1HD2 LEU 118 12.274 -6.386 0.608 925 2HD2 LEU 118 2HD2 LEU 118 13.638 -6.396 -0.508 926 3HD2 LEU 118 3HD2 LEU 118 12.051 -5.861 -1.061 927 H ALA 119 HN ALA 119 17.198 -3.803 0.944 928 HA ALA 119 HA ALA 119 18.899 -1.867 -0.444 929 1HB ALA 119 1HB ALA 119 19.594 -4.406 1.061 930 2HB ALA 119 2HB ALA 119 19.592 -2.774 1.729 931 3HB ALA 119 3HB ALA 119 20.761 -3.217 0.484 932 H GLY 120 HN GLY 120 17.678 -5.092 -1.058 933 1HA GLY 120 2HA GLY 120 19.616 -5.635 -3.186 934 2HA GLY 120 1HA GLY 120 18.217 -6.627 -2.783 935 H SER 121 HN SER 121 18.561 -6.316 -5.406 936 HA SER 121 HA SER 121 16.529 -4.256 -6.163 937 1HB SER 121 2HB SER 121 17.716 -3.839 -8.215 938 2HB SER 121 1HB SER 121 18.890 -3.716 -6.908 939 HG SER 121 HG SER 121 19.888 -5.080 -8.221 940 H PHE 122 HN PHE 122 14.727 -5.268 -6.884 941 HA PHE 122 HA PHE 122 15.029 -7.966 -8.128 942 1HB PHE 122 2HB PHE 122 12.523 -6.738 -6.943 943 2HB PHE 122 1HB PHE 122 12.760 -8.419 -7.426 944 HD1 PHE 122 HD1 PHE 122 13.966 -9.973 -6.027 945 HD2 PHE 122 HD2 PHE 122 13.738 -5.815 -4.983 946 HE1 PHE 122 HE1 PHE 122 14.885 -10.486 -3.780 947 HE2 PHE 122 HE2 PHE 122 14.653 -6.326 -2.735 948 HZ PHE 122 HZ PHE 122 15.227 -8.663 -2.134 949 H GLU 123 HN GLU 123 13.477 -8.425 -9.921 950 HA GLU 123 HA GLU 123 13.019 -5.954 -11.544 951 1HB GLU 123 2HB GLU 123 13.180 -7.434 -13.533 952 2HB GLU 123 1HB GLU 123 14.657 -7.449 -12.571 953 1HG GLU 123 HG2 GLU 123 14.432 -9.712 -12.694 954 2HG GLU 123 HG1 GLU 123 13.259 -9.483 -11.398 955 H GLY 124 HN GLY 124 11.092 -5.908 -12.875 956 1HA GLY 124 2HA GLY 124 9.021 -7.892 -12.736 957 2HA GLY 124 1HA GLY 124 8.695 -6.610 -11.566 958 H ASP 125 HN ASP 125 6.775 -6.028 -12.936 959 HA ASP 125 HA ASP 125 7.616 -4.291 -15.200 960 1HB ASP 125 2HB ASP 125 5.842 -6.630 -15.263 961 2HB ASP 125 1HB ASP 125 5.080 -5.174 -15.903 962 H THR 126 HN THR 126 5.854 -4.762 -12.327 963 HA THR 126 HA THR 126 4.205 -2.316 -12.805 964 HB THR 126 HB THR 126 3.854 -4.141 -10.439 965 HG1 THR 126 HG1 THR 126 3.187 -5.674 -11.679 966 1HG2 THR 126 1HG2 THR 126 2.352 -2.024 -11.860 967 2HG2 THR 126 2HG2 THR 126 2.347 -2.457 -10.150 968 3HG2 THR 126 3HG2 THR 126 1.393 -3.393 -11.300 969 H LYS 127 HN LYS 127 5.114 -0.510 -11.942 970 HA LYS 127 HA LYS 127 6.743 -0.833 -9.448 971 1HB LYS 127 2HB LYS 127 7.197 0.977 -11.836 972 2HB LYS 127 1HB LYS 127 8.035 1.182 -10.298 973 1HG LYS 127 2HG LYS 127 8.867 -1.160 -10.474 974 2HG LYS 127 1HG LYS 127 8.101 -1.288 -12.056 975 1HD LYS 127 2HD LYS 127 9.913 -0.351 -13.003 976 2HD LYS 127 1HD LYS 127 9.646 1.110 -12.053 977 1HE LYS 127 2HE LYS 127 11.278 0.582 -10.556 978 2HE LYS 127 1HE LYS 127 10.853 -1.129 -10.550 979 1HZ LYS 127 1HE LYS 127 11.900 -1.277 -12.782 980 2HZ LYS 127 2HE LYS 127 12.989 -0.903 -11.533 981 3HZ LYS 127 3HE LYS 127 12.452 0.315 -12.589 982 H MET 128 HN MET 128 6.779 1.083 -8.072 983 HA MET 128 HA MET 128 4.171 2.114 -7.560 984 1HB MET 128 2HB MET 128 6.368 1.931 -6.070 985 2HB MET 128 1HB MET 128 6.587 3.596 -6.612 986 1HG MET 128 2HG MET 128 3.842 2.963 -5.747 987 2HG MET 128 1HG MET 128 5.045 2.847 -4.466 988 1HE MET 128 1HE MET 128 3.278 6.265 -3.962 989 2HE MET 128 2HE MET 128 4.005 4.926 -3.077 990 3HE MET 128 3HE MET 128 2.757 4.604 -4.279 991 H ILE 129 HN ILE 129 3.392 4.288 -7.792 992 HA ILE 129 HA ILE 129 4.069 5.512 -10.322 993 HB ILE 129 HB ILE 129 2.400 7.239 -9.581 994 1HG1 ILE 129 2HG1 ILE 129 1.324 5.915 -7.315 995 2HG1 ILE 129 1HG1 ILE 129 3.054 6.080 -7.013 996 1HG2 ILE 129 1HG2 ILE 129 1.835 4.289 -9.498 997 2HG2 ILE 129 2HG2 ILE 129 1.401 5.468 -10.735 998 3HG2 ILE 129 3HG2 ILE 129 0.531 5.436 -9.202 999 1HD1 ILE 129 1HD1 ILE 129 1.540 8.043 -6.300 1000 2HD1 ILE 129 2HD1 ILE 129 1.405 8.398 -8.023 1001 3HD1 ILE 129 3HD1 ILE 129 2.983 8.436 -7.235 1002 HA PRO 130 HA PRO 130 7.016 8.605 -9.188 1003 1HB PRO 130 2HB PRO 130 5.825 10.802 -10.542 1004 2HB PRO 130 1HB PRO 130 7.069 9.708 -11.158 1005 1HG PRO 130 2HG PRO 130 4.370 9.908 -12.003 1006 2HG PRO 130 1HG PRO 130 5.587 8.742 -12.538 1007 1HD PRO 130 2HD PRO 130 3.330 8.345 -10.737 1008 2HD PRO 130 1HD PRO 130 4.359 7.137 -11.521 1009 H LEU 131 HN LEU 131 6.783 9.052 -6.986 1010 HA LEU 131 HA LEU 131 4.578 10.789 -6.081 1011 1HB LEU 131 2HB LEU 131 6.712 9.161 -4.744 1012 2HB LEU 131 1HB LEU 131 5.946 10.468 -3.841 1013 HG LEU 131 HG LEU 131 4.414 8.284 -5.276 1014 1HD1 LEU 131 1HD1 LEU 131 3.964 7.705 -2.729 1015 2HD1 LEU 131 2HD1 LEU 131 5.527 8.490 -2.501 1016 3HD1 LEU 131 3HD1 LEU 131 5.394 7.079 -3.550 1017 1HD2 LEU 131 1HD2 LEU 131 3.244 9.818 -3.030 1018 2HD2 LEU 131 2HD2 LEU 131 2.516 9.335 -4.561 1019 3HD2 LEU 131 3HD2 LEU 131 3.555 10.758 -4.488 1020 H ASN 132 HN ASN 132 4.947 12.828 -5.027 1021 HA ASN 132 HA ASN 132 7.330 14.236 -6.081 1022 1HB ASN 132 2HB ASN 132 4.690 14.964 -5.944 1023 2HB ASN 132 1HB ASN 132 5.349 15.772 -4.522 1024 1HD2 ASN 132 1HD2 ASN 132 7.370 17.148 -4.944 1025 2HD2 ASN 132 2HD2 ASN 132 7.501 17.923 -6.448 1026 H TRP 133 HN TRP 133 8.587 12.912 -4.390 1027 HA TRP 133 HA TRP 133 8.384 13.260 -1.609 1028 1HB TRP 133 2HB TRP 133 10.983 13.173 -3.173 1029 2HB TRP 133 1HB TRP 133 10.751 12.712 -1.487 1030 HD1 TRP 133 HD1 TRP 133 10.282 11.478 -5.023 1031 HE1 TRP 133 HE1 TRP 133 9.467 9.033 -4.978 1032 HE3 TRP 133 HE3 TRP 133 9.341 10.952 -0.032 1033 HZ2 TRP 133 HZ2 TRP 133 8.542 7.110 -3.078 1034 HZ3 TRP 133 HZ3 TRP 133 8.496 8.804 0.866 1035 HH2 TRP 133 HH2 TRP 133 8.096 6.884 -0.648 1036 H ASP 134 HN ASP 134 9.561 15.506 -4.033 1037 HA ASP 134 HA ASP 134 10.924 17.313 -2.279 1038 1HB ASP 134 2HB ASP 134 10.396 17.170 -5.022 1039 2HB ASP 134 1HB ASP 134 9.586 18.647 -4.498 1040 H ASP 135 HN ASP 135 7.520 16.811 -2.956 1041 HA ASP 135 HA ASP 135 6.771 19.348 -1.637 1042 1HB ASP 135 2HB ASP 135 5.536 17.532 -3.499 1043 2HB ASP 135 1HB ASP 135 4.491 17.710 -2.089 1044 H PHE 136 HN PHE 136 7.479 16.169 -0.715 1045 HA PHE 136 HA PHE 136 5.831 16.455 1.769 1046 1HB PHE 136 2HB PHE 136 6.908 13.984 0.387 1047 2HB PHE 136 1HB PHE 136 6.202 13.962 2.001 1048 HD1 PHE 136 HD1 PHE 136 5.444 15.175 -1.466 1049 HD2 PHE 136 HD2 PHE 136 3.907 13.604 2.223 1050 HE1 PHE 136 HE1 PHE 136 3.183 15.032 -2.471 1051 HE2 PHE 136 HE2 PHE 136 1.643 13.462 1.219 1052 HZ PHE 136 HZ PHE 136 1.283 14.176 -1.129 1053 H THR 137 HN THR 137 6.913 15.542 3.746 1054 HA THR 137 HA THR 137 9.890 15.752 3.615 1055 HB THR 137 HB THR 137 8.282 16.873 5.914 1056 HG1 THR 137 HG1 THR 137 8.552 18.893 4.891 1057 1HG2 THR 137 1HG2 THR 137 10.554 16.570 6.497 1058 2HG2 THR 137 2HG2 THR 137 10.445 18.269 6.038 1059 3HG2 THR 137 3HG2 THR 137 11.117 17.093 4.909 1060 H LYS 138 HN LYS 138 10.886 14.054 4.676 1061 HA LYS 138 HA LYS 138 9.265 11.964 5.845 1062 1HB LYS 138 2HB LYS 138 11.477 11.701 4.595 1063 2HB LYS 138 1HB LYS 138 12.266 12.284 6.059 1064 1HG LYS 138 2HG LYS 138 10.294 10.132 6.498 1065 2HG LYS 138 1HG LYS 138 11.708 9.655 5.563 1066 1HD LYS 138 2HD LYS 138 11.902 11.163 8.179 1067 2HD LYS 138 1HD LYS 138 11.940 9.402 8.081 1068 1HE LYS 138 2HE LYS 138 13.858 11.295 6.687 1069 2HE LYS 138 1HE LYS 138 14.228 10.313 8.103 1070 1HZ LYS 138 1HE LYS 138 14.828 8.735 6.684 1071 2HZ LYS 138 2HE LYS 138 14.190 9.573 5.352 1072 3HZ LYS 138 3HE LYS 138 13.193 8.552 6.274 1073 H VAL 139 HN VAL 139 8.473 12.029 7.893 1074 HA VAL 139 HA VAL 139 9.809 13.789 9.881 1075 HB VAL 139 HB VAL 139 7.711 13.405 11.212 1076 1HG1 VAL 139 1HG1 VAL 139 6.223 14.524 9.311 1077 2HG1 VAL 139 2HG1 VAL 139 7.774 14.618 8.478 1078 3HG1 VAL 139 3HG1 VAL 139 7.566 15.399 10.046 1079 1HG2 VAL 139 1HG2 VAL 139 5.869 12.226 10.259 1080 2HG2 VAL 139 2HG2 VAL 139 7.264 11.173 10.024 1081 3HG2 VAL 139 3HG2 VAL 139 6.649 12.135 8.680 1082 H SER 140 HN SER 140 9.245 10.407 9.189 1083 HA SER 140 HA SER 140 10.843 9.733 11.601 1084 1HB SER 140 2HB SER 140 8.184 8.431 10.946 1085 2HB SER 140 1HB SER 140 9.271 7.950 12.246 1086 HG SER 140 HG SER 140 7.768 9.326 13.118 1087 H SER 141 HN SER 141 12.203 8.007 11.262 1088 HA SER 141 HA SER 141 11.718 6.173 9.005 1089 1HB SER 141 2HB SER 141 13.449 8.418 8.726 1090 2HB SER 141 1HB SER 141 14.461 6.980 8.802 1091 HG SER 141 HG SER 141 13.025 6.075 7.196 1092 H ARG 142 HN ARG 142 12.543 4.149 9.447 1093 HA ARG 142 HA ARG 142 14.527 3.910 11.666 1094 1HB ARG 142 2HB ARG 142 12.025 3.332 12.223 1095 2HB ARG 142 1HB ARG 142 12.339 1.876 11.278 1096 1HG ARG 142 2HG ARG 142 14.224 1.301 12.726 1097 2HG ARG 142 1HG ARG 142 14.005 2.795 13.639 1098 1HD ARG 142 2HD ARG 142 11.838 0.699 13.365 1099 2HD ARG 142 1HD ARG 142 12.984 0.729 14.705 1100 HE ARG 142 HE ARG 142 11.718 3.301 14.399 1101 1HH1 ARG 142 1HH2 ARG 142 11.229 0.055 15.525 1102 2HH1 ARG 142 2HH2 ARG 142 10.042 0.515 16.698 1103 1HH2 ARG 142 1HH1 ARG 142 10.174 3.889 15.926 1104 2HH2 ARG 142 2HH1 ARG 142 9.447 2.674 16.925 1105 H THR 143 HN THR 143 16.234 2.560 11.089 1106 HA THR 143 HA THR 143 15.967 1.144 8.479 1107 HB THR 143 HB THR 143 18.546 1.597 9.974 1108 HG1 THR 143 HG1 THR 143 17.850 3.378 7.981 1109 1HG2 THR 143 1HG2 THR 143 18.025 0.153 7.752 1110 2HG2 THR 143 2HG2 THR 143 19.553 0.995 8.008 1111 3HG2 THR 143 3HG2 THR 143 18.296 1.733 7.016 1112 H VAL 144 HN VAL 144 15.863 -1.052 8.487 1113 HA VAL 144 HA VAL 144 16.879 -2.483 10.907 1114 HB VAL 144 HB VAL 144 14.403 -2.420 10.897 1115 1HG1 VAL 144 1HG1 VAL 144 14.559 -4.022 8.339 1116 2HG1 VAL 144 2HG1 VAL 144 14.299 -2.278 8.350 1117 3HG1 VAL 144 3HG1 VAL 144 13.122 -3.351 9.111 1118 1HG2 VAL 144 1HG2 VAL 144 15.126 -4.370 11.945 1119 2HG2 VAL 144 2HG2 VAL 144 15.896 -4.993 10.486 1120 3HG2 VAL 144 3HG2 VAL 144 14.141 -5.042 10.645 1121 H GLU 145 HN GLU 145 18.348 -4.032 10.427 1122 HA GLU 145 HA GLU 145 18.898 -4.652 7.600 1123 1HB GLU 145 2HB GLU 145 20.311 -5.177 10.209 1124 2HB GLU 145 1HB GLU 145 20.792 -6.027 8.739 1125 1HG GLU 145 HG2 GLU 145 20.834 -3.656 7.660 1126 2HG GLU 145 HG1 GLU 145 20.892 -3.075 9.325 1127 H ASP 146 HN ASP 146 19.233 -6.951 6.957 1128 HA ASP 146 HA ASP 146 17.581 -8.872 8.529 1129 1HB ASP 146 2HB ASP 146 16.578 -7.668 6.293 1130 2HB ASP 146 1HB ASP 146 17.349 -9.087 5.585 1131 H THR 147 HN THR 147 18.162 -11.109 8.137 1132 HA THR 147 HA THR 147 20.945 -11.587 7.783 1133 HB THR 147 HB THR 147 20.125 -14.027 7.481 1134 HG1 THR 147 HG1 THR 147 17.987 -13.146 6.805 1135 1HG2 THR 147 1HG2 THR 147 20.798 -13.674 9.642 1136 2HG2 THR 147 2HG2 THR 147 19.065 -13.792 9.949 1137 3HG2 THR 147 3HG2 THR 147 19.831 -12.209 9.813 1138 H ASN 148 HN ASN 148 18.465 -11.117 5.472 1139 HA ASN 148 HA ASN 148 20.102 -12.405 3.335 1140 1HB ASN 148 2HB ASN 148 17.438 -12.627 3.719 1141 2HB ASN 148 1HB ASN 148 17.469 -11.214 2.666 1142 1HD2 ASN 148 1HD2 ASN 148 18.318 -11.476 0.481 1143 2HD2 ASN 148 2HD2 ASN 148 18.536 -13.015 -0.201 1144 HA PRO 149 HA PRO 149 21.877 -8.512 2.168 1145 1HB PRO 149 2HB PRO 149 21.908 -9.314 -0.603 1146 2HB PRO 149 1HB PRO 149 23.263 -9.220 0.529 1147 1HG PRO 149 2HG PRO 149 21.872 -11.556 -0.436 1148 2HG PRO 149 1HG PRO 149 23.332 -11.464 0.559 1149 1HD PRO 149 2HD PRO 149 20.817 -12.329 1.419 1150 2HD PRO 149 1HD PRO 149 22.174 -11.877 2.462 1151 H ALA 150 HN ALA 150 19.450 -9.876 -0.078 1152 HA ALA 150 HA ALA 150 18.628 -7.230 -0.976 1153 1HB ALA 150 1HB ALA 150 16.876 -9.596 -1.426 1154 2HB ALA 150 2HB ALA 150 18.493 -9.652 -2.127 1155 3HB ALA 150 3HB ALA 150 17.389 -8.347 -2.560 1156 H LEU 151 HN LEU 151 17.457 -9.535 1.436 1157 HA LEU 151 HA LEU 151 14.873 -8.300 1.749 1158 1HB LEU 151 2HB LEU 151 16.460 -10.027 3.662 1159 2HB LEU 151 1HB LEU 151 14.770 -9.579 3.877 1160 HG LEU 151 HG LEU 151 15.865 -11.069 1.473 1161 1HD1 LEU 151 1HD1 LEU 151 13.940 -12.360 3.316 1162 2HD1 LEU 151 2HD1 LEU 151 15.557 -12.110 3.974 1163 3HD1 LEU 151 3HD1 LEU 151 15.341 -13.042 2.492 1164 1HD2 LEU 151 1HD2 LEU 151 12.984 -11.112 2.108 1165 2HD2 LEU 151 2HD2 LEU 151 13.786 -10.906 0.553 1166 3HD2 LEU 151 3HD2 LEU 151 13.593 -9.530 1.636 1167 H THR 152 HN THR 152 17.928 -7.102 2.568 1168 HA THR 152 HA THR 152 17.318 -5.835 5.085 1169 HB THR 152 HB THR 152 19.165 -4.745 2.942 1170 HG1 THR 152 HG1 THR 152 19.655 -6.726 4.910 1171 1HG2 THR 152 1HG2 THR 152 18.507 -3.956 5.603 1172 2HG2 THR 152 2HG2 THR 152 19.719 -3.258 4.530 1173 3HG2 THR 152 3HG2 THR 152 20.159 -4.574 5.618 1174 H HIS 153 HN HIS 153 16.366 -3.743 5.455 1175 HA HIS 153 HA HIS 153 15.701 -2.045 3.180 1176 1HB HIS 153 2HB HIS 153 13.212 -2.232 3.511 1177 2HB HIS 153 1HB HIS 153 13.965 -3.668 2.822 1178 HD1 HIS 153 HD1 HIS 153 14.760 -5.466 4.851 1179 HD2 HIS 153 HD2 HIS 153 11.586 -2.881 5.636 1180 HE1 HIS 153 HE1 HIS 153 13.485 -6.469 6.796 1181 H THR 154 HN THR 154 14.339 -0.165 3.853 1182 HA THR 154 HA THR 154 14.586 0.440 6.768 1183 HB THR 154 HB THR 154 15.199 2.357 4.495 1184 HG1 THR 154 HG1 THR 154 16.754 0.668 4.786 1185 1HG2 THR 154 1HG2 THR 154 16.338 3.387 6.731 1186 2HG2 THR 154 2HG2 THR 154 14.932 2.588 7.429 1187 3HG2 THR 154 3HG2 THR 154 14.718 3.813 6.181 1188 H TYR 155 HN TYR 155 12.950 1.977 7.527 1189 HA TYR 155 HA TYR 155 10.581 2.094 5.708 1190 1HB TYR 155 2HB TYR 155 10.729 2.373 8.727 1191 2HB TYR 155 1HB TYR 155 9.253 2.388 7.766 1192 HD1 TYR 155 HD1 TYR 155 8.626 0.328 6.433 1193 HD2 TYR 155 HD2 TYR 155 11.769 0.334 9.360 1194 HE1 TYR 155 HE1 TYR 155 8.525 -2.148 6.547 1195 HE2 TYR 155 HE2 TYR 155 11.669 -2.140 9.473 1196 HH TYR 155 HH TYR 155 9.504 -3.921 8.845 1197 H GLU 156 HN GLU 156 10.109 4.093 4.873 1198 HA GLU 156 HA GLU 156 11.130 6.477 6.363 1199 1HB GLU 156 2HB GLU 156 10.671 6.071 3.393 1200 2HB GLU 156 1HB GLU 156 11.081 7.620 4.129 1201 1HG GLU 156 HG2 GLU 156 13.174 6.681 4.999 1202 2HG GLU 156 HG1 GLU 156 12.765 5.107 4.316 1203 H VAL 157 HN VAL 157 9.543 7.730 7.222 1204 HA VAL 157 HA VAL 157 6.780 7.466 6.111 1205 HB VAL 157 HB VAL 157 7.505 8.683 8.780 1206 1HG1 VAL 157 1HG1 VAL 157 5.249 9.118 8.065 1207 2HG1 VAL 157 2HG1 VAL 157 5.168 7.850 9.288 1208 3HG1 VAL 157 3HG1 VAL 157 5.019 7.438 7.580 1209 1HG2 VAL 157 1HG2 VAL 157 6.861 5.769 8.231 1210 2HG2 VAL 157 2HG2 VAL 157 7.145 6.494 9.812 1211 3HG2 VAL 157 3HG2 VAL 157 8.461 6.382 8.643 1212 H TRP 158 HN TRP 158 6.015 9.236 4.988 1213 HA TRP 158 HA TRP 158 7.380 11.850 5.501 1214 1HB TRP 158 2HB TRP 158 6.090 10.836 2.955 1215 2HB TRP 158 1HB TRP 158 6.752 12.450 3.172 1216 HD1 TRP 158 HD1 TRP 158 7.981 8.793 3.541 1217 HE1 TRP 158 HE1 TRP 158 10.431 8.700 2.741 1218 HE3 TRP 158 HE3 TRP 158 8.747 13.720 2.463 1219 HZ2 TRP 158 HZ2 TRP 158 12.451 10.482 1.778 1220 HZ3 TRP 158 HZ3 TRP 158 10.938 14.498 1.606 1221 HH2 TRP 158 HH2 TRP 158 12.790 12.886 1.263 1222 H GLN 159 HN GLN 159 6.005 13.754 5.183 1223 HA GLN 159 HA GLN 159 3.083 13.265 5.506 1224 1HB GLN 159 2HB GLN 159 4.896 14.903 7.290 1225 2HB GLN 159 1HB GLN 159 3.169 15.244 7.176 1226 1HG GLN 159 2HG GLN 159 2.770 12.790 7.715 1227 2HG GLN 159 1HG GLN 159 4.487 12.684 8.104 1228 1HE2 GLN 159 1HE2 GLN 159 1.407 14.113 9.131 1229 2HE2 GLN 159 2HE2 GLN 159 1.952 14.618 10.657 1230 H LYS 160 HN LYS 160 1.830 14.887 4.374 1231 HA LYS 160 HA LYS 160 3.328 16.460 2.456 1232 1HB LYS 160 2HB LYS 160 0.997 15.356 2.196 1233 2HB LYS 160 1HB LYS 160 0.391 16.766 3.064 1234 1HG LYS 160 2HG LYS 160 1.584 18.208 1.359 1235 2HG LYS 160 1HG LYS 160 1.896 16.736 0.437 1236 1HD LYS 160 2HD LYS 160 -0.579 16.288 0.446 1237 2HD LYS 160 1HD LYS 160 -0.812 17.872 1.185 1238 1HE LYS 160 2HE LYS 160 0.920 18.054 -1.141 1239 2HE LYS 160 1HE LYS 160 -0.630 17.323 -1.558 1240 1HZ LYS 160 1HE LYS 160 -0.122 19.957 -0.314 1241 2HZ LYS 160 2HE LYS 160 -1.648 19.214 -0.245 1242 3HZ LYS 160 3HE LYS 160 -0.962 19.613 -1.747 1243 H LYS 161 HN LYS 161 3.972 18.548 2.677 1244 HA LYS 161 HA LYS 161 3.639 19.941 5.184 1245 1HB LYS 161 2HB LYS 161 4.698 20.800 2.480 1246 2HB LYS 161 1HB LYS 161 4.684 21.865 3.885 1247 1HG LYS 161 2HG LYS 161 5.779 19.309 4.644 1248 2HG LYS 161 1HG LYS 161 6.630 19.909 3.220 1249 1HD LYS 161 2HD LYS 161 6.104 21.638 5.646 1250 2HD LYS 161 1HD LYS 161 7.567 20.668 5.470 1251 1HE LYS 161 2HE LYS 161 6.752 22.460 3.211 1252 2HE LYS 161 1HE LYS 161 7.515 23.179 4.628 1253 1HZ LYS 161 1HE LYS 161 8.649 21.486 2.583 1254 2HZ LYS 161 2HE LYS 161 9.085 21.048 4.166 1255 3HZ LYS 161 3HE LYS 161 9.403 22.617 3.597 1256 H ALA 162 HN ALA 162 2.354 21.780 5.620 1257 HA ALA 162 HA ALA 162 0.267 22.414 3.572 1258 1HB ALA 162 1HB ALA 162 -0.065 21.885 6.531 1259 2HB ALA 162 2HB ALA 162 -0.882 21.089 5.185 1260 3HB ALA 162 3HB ALA 162 -1.277 22.759 5.592 1261 AH51 NDP 168 AH51 NDP 168 -5.174 -1.789 -9.723 1262 AH52 NDP 168 AH52 NDP 168 -5.487 -2.951 -8.435 1263 AH4* NDP 168 AH4* NDP 168 -7.278 -3.957 -9.954 1264 AH3* NDP 168 AH3* NDP 168 -6.738 -1.460 -11.570 1265 AHO3 NDP 168 AHO3 NDP 168 -7.408 -4.186 -12.141 1266 AH2* NDP 168 AH2* NDP 168 -9.103 -1.383 -12.004 1267 AH1* NDP 168 AH1* NDP 168 -9.861 -1.861 -9.392 1268 AH8 NDP 168 AH8 NDP 168 -6.676 0.181 -9.534 1269 AH61 NDP 168 AH61 NDP 168 -10.424 5.126 -9.537 1270 AH62 NDP 168 AH62 NDP 168 -8.790 4.574 -9.263 1271 AH2 NDP 168 AH2 NDP 168 -12.966 1.460 -9.969 1272 NH51 NDP 168 NH51 NDP 168 -1.290 -4.916 -9.167 1273 NH52 NDP 168 NH52 NDP 168 -1.124 -3.942 -7.702 1274 NH4* NDP 168 NH4* NDP 168 1.027 -5.693 -8.991 1275 NH3* NDP 168 NH3* NDP 168 -0.581 -6.054 -6.450 1276 NHO3 NDP 168 NHO3 NDP 168 -1.244 -7.663 -7.674 1277 NH2* NDP 168 NH2* NDP 168 1.354 -7.157 -5.542 1278 NHO2 NDP 168 NHO2 NDP 168 2.214 -8.439 -7.033 1279 NH1* NDP 168 NH1* NDP 168 3.184 -5.312 -6.534 1280 NH2 NDP 168 NH2 NDP 168 3.791 -3.936 -4.685 1281 NH71 NDP 168 NH71 NDP 168 5.186 -3.213 -4.071 1282 NH72 NDP 168 NH72 NDP 168 5.720 -2.315 -2.669 1283 NH41 NDP 168 NH41 NDP 168 0.767 -2.408 -2.603 1284 NH42 NDP 168 NH42 NDP 168 1.170 -3.904 -1.695 1285 NH5 NDP 168 NH5 NDP 168 -0.899 -4.199 -3.042 1286 NH6 NDP 168 NH6 NDP 168 -0.291 -5.401 -5.199 1287 H1 TRR 170 H1 TRR 170 4.778 -5.235 1.889 1288 1H2 TRR 170 1H2 TRR 170 5.155 -1.774 2.628 1289 2H2 TRR 170 2H2 TRR 170 5.928 -3.299 2.679 1290 1H4 TRR 170 1H4 TRR 170 -0.126 -2.798 0.355 1291 2H4 TRR 170 2H4 TRR 170 0.682 -1.414 0.908 1292 H6 TRR 170 H6 TRR 170 2.875 -6.364 0.942 1293 1H7 TRR 170 1H7 TRR 170 0.309 -4.683 -0.738 1294 2H7 TRR 170 2H7 TRR 170 -0.320 -4.958 0.884 1295 H12 TRR 170 H12 TRR 170 1.284 -6.465 -2.023 1296 H16 TRR 170 H16 TRR 170 -0.001 -7.092 2.045 1297 1H17 TRR 170 1H17 TRR 170 2.103 -8.719 -4.572 1298 2H17 TRR 170 2H17 TRR 170 2.710 -7.546 -3.412 1299 3H17 TRR 170 3H17 TRR 170 1.017 -7.521 -3.884 1300 1H18 TRR 170 1H18 TRR 170 2.890 -10.663 0.142 1301 2H18 TRR 170 2H18 TRR 170 2.562 -11.915 -1.047 1302 3H18 TRR 170 3H18 TRR 170 2.016 -12.114 0.612 1303 1H19 TRR 170 1H19 TRR 170 -0.834 -9.990 3.762 1304 2H19 TRR 170 2H19 TRR 170 -0.934 -8.385 3.059 1305 3H19 TRR 170 3H19 TRR 170 0.570 -8.933 3.778 Start of MODEL 12 1 1H THR 1 1H THR 1 -6.559 10.510 3.485 2 2H THR 1 2H THR 1 -5.405 11.292 2.514 3 3H THR 1 3H THR 1 -4.964 10.678 4.035 4 HA THR 1 HA THR 1 -5.752 8.428 3.054 5 HB THR 1 HB THR 1 -4.977 10.003 0.581 6 HG1 THR 1 HG1 THR 1 -7.201 9.423 0.030 7 1HG2 THR 1 1HG2 THR 1 -6.110 7.216 0.686 8 2HG2 THR 1 2HG2 THR 1 -4.376 7.490 0.845 9 3HG2 THR 1 3HG2 THR 1 -5.217 7.996 -0.619 10 H ALA 2 HN ALA 2 -3.970 7.028 3.043 11 HA ALA 2 HA ALA 2 -1.290 8.346 2.920 12 1HB ALA 2 1HB ALA 2 -0.551 7.161 4.805 13 2HB ALA 2 2HB ALA 2 -1.816 5.942 4.651 14 3HB ALA 2 3HB ALA 2 -2.214 7.557 5.240 15 H PHE 3 HN PHE 3 0.420 7.035 2.062 16 HA PHE 3 HA PHE 3 -0.554 4.777 0.358 17 1HB PHE 3 2HB PHE 3 1.673 6.779 0.107 18 2HB PHE 3 1HB PHE 3 1.821 5.223 -0.702 19 HD1 PHE 3 HD1 PHE 3 -1.420 6.952 -0.163 20 HD2 PHE 3 HD2 PHE 3 1.714 6.058 -2.950 21 HE1 PHE 3 HE1 PHE 3 -2.831 7.784 -2.016 22 HE2 PHE 3 HE2 PHE 3 0.301 6.888 -4.807 23 HZ PHE 3 HZ PHE 3 -1.973 7.752 -4.340 24 H LEU 4 HN LEU 4 0.295 2.699 0.747 25 HA LEU 4 HA LEU 4 2.654 2.571 2.577 26 1HB LEU 4 2HB LEU 4 0.669 2.135 3.917 27 2HB LEU 4 1HB LEU 4 0.099 0.949 2.745 28 HG LEU 4 HG LEU 4 2.035 -0.479 3.209 29 1HD1 LEU 4 1HD1 LEU 4 2.786 1.662 5.227 30 2HD1 LEU 4 2HD1 LEU 4 3.653 1.317 3.730 31 3HD1 LEU 4 3HD1 LEU 4 3.607 0.115 5.019 32 1HD2 LEU 4 1HD2 LEU 4 1.520 -0.965 5.631 33 2HD2 LEU 4 2HD2 LEU 4 0.092 -0.849 4.604 34 3HD2 LEU 4 3HD2 LEU 4 0.535 0.496 5.657 35 H TRP 5 HN TRP 5 4.063 1.992 0.826 36 HA TRP 5 HA TRP 5 3.598 -0.770 -0.191 37 1HB TRP 5 2HB TRP 5 4.147 -0.201 -2.434 38 2HB TRP 5 1HB TRP 5 2.985 1.015 -1.915 39 HD1 TRP 5 HD1 TRP 5 6.421 0.613 -3.266 40 HE1 TRP 5 HE1 TRP 5 7.604 2.900 -3.389 41 HE3 TRP 5 HE3 TRP 5 3.177 3.436 -0.509 42 HZ2 TRP 5 HZ2 TRP 5 7.228 5.570 -2.442 43 HZ3 TRP 5 HZ3 TRP 5 3.615 5.847 -0.138 44 HH2 TRP 5 HH2 TRP 5 5.634 6.917 -1.100 45 H ALA 6 HN ALA 6 5.489 -2.019 -0.411 46 HA ALA 6 HA ALA 6 7.920 -0.824 0.827 47 1HB ALA 6 1HB ALA 6 6.687 -3.519 0.733 48 2HB ALA 6 2HB ALA 6 7.622 -2.752 2.018 49 3HB ALA 6 3HB ALA 6 8.449 -3.487 0.645 50 H GLN 7 HN GLN 7 8.846 0.203 -1.031 51 HA GLN 7 HA GLN 7 9.340 -1.489 -3.413 52 1HB GLN 7 2HB GLN 7 10.214 0.657 -4.397 53 2HB GLN 7 1HB GLN 7 8.530 0.740 -3.879 54 1HG GLN 7 2HG GLN 7 8.981 2.239 -2.237 55 2HG GLN 7 1HG GLN 7 10.472 1.425 -1.770 56 1HE2 GLN 7 1HE2 GLN 7 12.457 2.031 -2.897 57 2HE2 GLN 7 2HE2 GLN 7 12.540 3.438 -3.843 58 H ASP 8 HN ASP 8 11.480 -1.657 -4.346 59 HA ASP 8 HA ASP 8 13.542 -2.046 -2.305 60 1HB ASP 8 2HB ASP 8 14.905 -2.896 -4.226 61 2HB ASP 8 1HB ASP 8 13.353 -3.711 -4.059 62 H ARG 9 HN ARG 9 15.887 -1.404 -3.494 63 HA ARG 9 HA ARG 9 16.177 1.362 -2.954 64 1HB ARG 9 2HB ARG 9 18.418 1.148 -4.026 65 2HB ARG 9 1HB ARG 9 18.089 -0.132 -2.860 66 1HG ARG 9 2HG ARG 9 18.695 -1.545 -4.525 67 2HG ARG 9 1HG ARG 9 17.097 -1.215 -5.188 68 1HD ARG 9 2HD ARG 9 18.046 -0.268 -6.994 69 2HD ARG 9 1HD ARG 9 18.814 0.935 -5.960 70 HE ARG 9 HE ARG 9 20.072 -1.532 -6.988 71 1HH1 ARG 9 1HH1 ARG 9 20.200 1.202 -4.838 72 2HH1 ARG 9 2HH1 ARG 9 21.912 1.094 -4.626 73 1HH2 ARG 9 1HH2 ARG 9 22.293 -1.650 -6.698 74 2HH2 ARG 9 2HH2 ARG 9 23.090 -0.508 -5.669 75 H ASP 10 HN ASP 10 15.771 -0.273 -6.117 76 HA ASP 10 HA ASP 10 16.063 2.191 -7.618 77 1HB ASP 10 2HB ASP 10 15.356 -0.629 -8.198 78 2HB ASP 10 1HB ASP 10 14.689 0.568 -9.308 79 H GLY 11 HN GLY 11 13.385 0.477 -6.158 80 1HA GLY 11 2HA GLY 11 11.438 1.874 -5.462 81 2HA GLY 11 1HA GLY 11 11.598 2.733 -6.992 82 H LEU 12 HN LEU 12 11.763 -0.775 -6.529 83 HA LEU 12 HA LEU 12 9.620 -1.114 -8.534 84 1HB LEU 12 2HB LEU 12 11.679 -2.528 -8.610 85 2HB LEU 12 1HB LEU 12 11.260 -3.181 -7.028 86 HG LEU 12 HG LEU 12 9.124 -4.033 -7.965 87 1HD1 LEU 12 1HD1 LEU 12 9.219 -4.082 -10.605 88 2HD1 LEU 12 2HD1 LEU 12 10.207 -2.637 -10.388 89 3HD1 LEU 12 3HD1 LEU 12 8.558 -2.677 -9.768 90 1HD2 LEU 12 1HD2 LEU 12 10.132 -5.824 -9.333 91 2HD2 LEU 12 2HD2 LEU 12 11.127 -5.474 -7.918 92 3HD2 LEU 12 3HD2 LEU 12 11.602 -4.864 -9.504 93 H ILE 13 HN ILE 13 7.786 -2.680 -7.956 94 HA ILE 13 HA ILE 13 7.227 -2.640 -5.033 95 HB ILE 13 HB ILE 13 4.728 -2.382 -5.844 96 1HG1 ILE 13 2HG1 ILE 13 5.669 -0.449 -7.824 97 2HG1 ILE 13 1HG1 ILE 13 6.031 -2.106 -8.300 98 1HG2 ILE 13 1HG2 ILE 13 4.929 -0.425 -4.755 99 2HG2 ILE 13 2HG2 ILE 13 5.936 0.256 -6.032 100 3HG2 ILE 13 3HG2 ILE 13 6.671 -0.698 -4.743 101 1HD1 ILE 13 1HD1 ILE 13 3.852 -2.586 -8.672 102 2HD1 ILE 13 2HD1 ILE 13 3.585 -0.844 -8.619 103 3HD1 ILE 13 3HD1 ILE 13 3.344 -1.816 -7.168 104 H GLY 14 HN GLY 14 5.617 -3.909 -8.002 105 1HA GLY 14 2HA GLY 14 6.105 -6.652 -7.016 106 2HA GLY 14 1HA GLY 14 4.419 -6.153 -7.091 107 H LYS 15 HN LYS 15 5.992 -8.192 -8.686 108 HA LYS 15 HA LYS 15 5.334 -7.083 -11.386 109 1HB LYS 15 2HB LYS 15 7.797 -7.412 -10.973 110 2HB LYS 15 1HB LYS 15 7.477 -9.132 -10.758 111 1HG LYS 15 2HG LYS 15 6.171 -8.482 -13.146 112 2HG LYS 15 1HG LYS 15 7.692 -7.593 -13.223 113 1HD LYS 15 2HD LYS 15 8.776 -9.826 -12.441 114 2HD LYS 15 1HD LYS 15 7.260 -10.563 -12.958 115 1HE LYS 15 2HE LYS 15 8.231 -10.649 -15.009 116 2HE LYS 15 1HE LYS 15 7.843 -8.931 -15.093 117 1HZ LYS 15 1HE LYS 15 9.984 -8.419 -15.028 118 2HZ LYS 15 2HE LYS 15 10.347 -10.071 -15.180 119 3HZ LYS 15 3HE LYS 15 10.248 -9.359 -13.641 120 H ASP 16 HN ASP 16 3.905 -8.282 -12.554 121 HA ASP 16 HA ASP 16 2.359 -9.962 -13.036 122 1HB ASP 16 2HB ASP 16 4.845 -11.473 -12.256 123 2HB ASP 16 1HB ASP 16 3.381 -12.322 -12.752 124 H GLY 17 HN GLY 17 1.614 -8.895 -10.621 125 1HA GLY 17 2HA GLY 17 0.176 -9.490 -8.881 126 2HA GLY 17 1HA GLY 17 0.360 -11.173 -9.359 127 H HIS 18 HN HIS 18 2.325 -12.297 -8.597 128 HA HIS 18 HA HIS 18 2.765 -11.847 -5.807 129 1HB HIS 18 2HB HIS 18 4.483 -13.633 -6.026 130 2HB HIS 18 1HB HIS 18 2.951 -14.073 -6.781 131 HD1 HIS 18 HD1 HIS 18 6.393 -12.760 -7.700 132 HD2 HIS 18 HD2 HIS 18 3.119 -14.588 -9.520 133 HE1 HIS 18 HE1 HIS 18 7.103 -13.305 -10.069 134 H LEU 19 HN LEU 19 4.282 -10.702 -4.739 135 HA LEU 19 HA LEU 19 5.809 -8.649 -5.856 136 1HB LEU 19 2HB LEU 19 6.048 -10.246 -3.328 137 2HB LEU 19 1HB LEU 19 7.339 -9.120 -3.744 138 HG LEU 19 HG LEU 19 4.617 -8.025 -4.064 139 1HD1 LEU 19 1HD1 LEU 19 5.567 -8.119 -1.242 140 2HD1 LEU 19 2HD1 LEU 19 4.814 -9.582 -1.879 141 3HD1 LEU 19 3HD1 LEU 19 3.921 -8.061 -1.874 142 1HD2 LEU 19 1HD2 LEU 19 6.852 -6.916 -2.381 143 2HD2 LEU 19 2HD2 LEU 19 5.662 -6.050 -3.353 144 3HD2 LEU 19 3HD2 LEU 19 6.989 -6.905 -4.139 145 HA PRO 20 HA PRO 20 9.380 -10.561 -7.683 146 1HB PRO 20 2HB PRO 20 11.200 -8.487 -7.164 147 2HB PRO 20 1HB PRO 20 10.098 -8.588 -8.545 148 1HG PRO 20 2HG PRO 20 10.023 -6.716 -6.413 149 2HG PRO 20 1HG PRO 20 8.852 -6.902 -7.726 150 1HD PRO 20 2HD PRO 20 8.683 -7.825 -4.923 151 2HD PRO 20 1HD PRO 20 7.386 -7.516 -6.090 152 H TRP 21 HN TRP 21 9.734 -9.350 -4.384 153 HA TRP 21 HA TRP 21 12.053 -11.191 -4.003 154 1HB TRP 21 2HB TRP 21 12.526 -9.742 -1.991 155 2HB TRP 21 1HB TRP 21 12.636 -8.886 -3.527 156 HD1 TRP 21 HD1 TRP 21 10.166 -9.423 -0.617 157 HE1 TRP 21 HE1 TRP 21 8.603 -7.376 -0.498 158 HE3 TRP 21 HE3 TRP 21 11.752 -6.864 -4.742 159 HZ2 TRP 21 HZ2 TRP 21 8.094 -4.969 -1.960 160 HZ3 TRP 21 HZ3 TRP 21 10.712 -4.698 -5.356 161 HH2 TRP 21 HH2 TRP 21 8.887 -3.748 -3.971 162 H HIS 22 HN HIS 22 11.865 -11.165 -1.145 163 HA HIS 22 HA HIS 22 9.196 -12.219 -0.468 164 1HB HIS 22 2HB HIS 22 10.637 -14.118 -1.459 165 2HB HIS 22 1HB HIS 22 11.612 -13.973 0.004 166 HD1 HIS 22 HD1 HIS 22 7.988 -14.562 -1.011 167 HD2 HIS 22 HD2 HIS 22 10.543 -15.293 2.201 168 HE1 HIS 22 HE1 HIS 22 6.686 -15.986 0.630 169 H LEU 23 HN LEU 23 9.094 -10.566 1.100 170 HA LEU 23 HA LEU 23 11.055 -10.839 3.343 171 1HB LEU 23 2HB LEU 23 11.198 -8.705 1.899 172 2HB LEU 23 1HB LEU 23 9.657 -8.260 2.633 173 HG LEU 23 HG LEU 23 10.766 -8.666 4.895 174 1HD1 LEU 23 1HD1 LEU 23 13.312 -8.373 4.753 175 2HD1 LEU 23 2HD1 LEU 23 13.157 -8.811 3.051 176 3HD1 LEU 23 3HD1 LEU 23 12.678 -9.956 4.304 177 1HD2 LEU 23 1HD2 LEU 23 12.393 -6.487 4.094 178 2HD2 LEU 23 2HD2 LEU 23 10.788 -6.410 4.817 179 3HD2 LEU 23 3HD2 LEU 23 10.964 -6.437 3.063 180 HA PRO 24 HA PRO 24 7.069 -11.813 5.308 181 1HB PRO 24 2HB PRO 24 8.480 -12.765 7.590 182 2HB PRO 24 1HB PRO 24 7.709 -13.728 6.323 183 1HG PRO 24 2HG PRO 24 10.487 -13.425 6.826 184 2HG PRO 24 1HG PRO 24 9.714 -14.316 5.509 185 1HD PRO 24 2HD PRO 24 11.085 -11.754 5.418 186 2HD PRO 24 1HD PRO 24 10.527 -12.768 4.079 187 H ASP 25 HN ASP 25 9.882 -10.193 6.724 188 HA ASP 25 HA ASP 25 8.492 -9.048 8.968 189 1HB ASP 25 2HB ASP 25 11.108 -9.185 8.224 190 2HB ASP 25 1HB ASP 25 10.743 -7.510 7.808 191 H ASP 26 HN ASP 26 8.696 -8.199 5.587 192 HA ASP 26 HA ASP 26 7.800 -5.447 5.957 193 1HB ASP 26 2HB ASP 26 9.055 -5.897 3.966 194 2HB ASP 26 1HB ASP 26 8.022 -7.260 3.541 195 H LEU 27 HN LEU 27 6.254 -8.513 4.937 196 HA LEU 27 HA LEU 27 3.654 -7.537 4.463 197 1HB LEU 27 2HB LEU 27 4.615 -10.172 5.600 198 2HB LEU 27 1HB LEU 27 2.917 -9.859 5.241 199 HG LEU 27 HG LEU 27 5.078 -9.416 3.178 200 1HD1 LEU 27 1HD1 LEU 27 3.486 -11.945 3.707 201 2HD1 LEU 27 2HD1 LEU 27 5.228 -11.757 3.909 202 3HD1 LEU 27 3HD1 LEU 27 4.512 -11.666 2.300 203 1HD2 LEU 27 1HD2 LEU 27 2.382 -8.780 3.257 204 2HD2 LEU 27 2HD2 LEU 27 2.394 -10.314 2.387 205 3HD2 LEU 27 3HD2 LEU 27 3.342 -8.953 1.788 206 H HIS 28 HN HIS 28 5.076 -8.670 7.543 207 HA HIS 28 HA HIS 28 2.786 -8.186 9.166 208 1HB HIS 28 2HB HIS 28 5.735 -8.038 9.870 209 2HB HIS 28 1HB HIS 28 4.424 -8.057 11.050 210 HD1 HIS 28 HD1 HIS 28 2.588 -10.196 10.000 211 HD2 HIS 28 HD2 HIS 28 6.735 -10.616 9.929 212 HE1 HIS 28 HE1 HIS 28 3.054 -12.682 9.869 213 H TYR 29 HN TYR 29 5.442 -6.071 8.142 214 HA TYR 29 HA TYR 29 4.689 -3.790 9.721 215 1HB TYR 29 2HB TYR 29 6.890 -4.088 8.511 216 2HB TYR 29 1HB TYR 29 6.034 -3.775 7.001 217 HD1 TYR 29 HD1 TYR 29 6.587 -2.308 10.406 218 HD2 TYR 29 HD2 TYR 29 5.762 -1.572 6.255 219 HE1 TYR 29 HE1 TYR 29 6.781 0.132 10.800 220 HE2 TYR 29 HE2 TYR 29 5.956 0.869 6.650 221 HH TYR 29 HH TYR 29 5.621 2.349 9.206 222 H PHE 30 HN PHE 30 3.705 -5.031 6.587 223 HA PHE 30 HA PHE 30 2.145 -2.744 5.783 224 1HB PHE 30 2HB PHE 30 2.849 -4.371 4.122 225 2HB PHE 30 1HB PHE 30 2.016 -5.666 4.978 226 HD1 PHE 30 HD1 PHE 30 1.258 -2.257 3.588 227 HD2 PHE 30 HD2 PHE 30 -0.072 -6.297 4.178 228 HE1 PHE 30 HE1 PHE 30 -0.820 -1.756 2.331 229 HE2 PHE 30 HE2 PHE 30 -2.150 -5.798 2.921 230 HZ PHE 30 HZ PHE 30 -2.523 -3.527 1.996 231 H ARG 31 HN ARG 31 1.266 -5.866 7.283 232 HA ARG 31 HA ARG 31 -1.521 -5.252 7.576 233 1HB ARG 31 2HB ARG 31 0.037 -7.480 7.942 234 2HB ARG 31 1HB ARG 31 -0.318 -7.024 9.608 235 1HG ARG 31 2HG ARG 31 -2.608 -7.330 9.350 236 2HG ARG 31 1HG ARG 31 -2.552 -7.050 7.609 237 1HD ARG 31 2HD ARG 31 -2.541 -9.288 7.332 238 2HD ARG 31 1HD ARG 31 -0.923 -9.298 8.033 239 HE ARG 31 HE ARG 31 -3.020 -9.277 10.053 240 1HH1 ARG 31 1HH2 ARG 31 -1.132 -11.227 7.886 241 2HH1 ARG 31 2HH2 ARG 31 -1.292 -12.656 8.847 242 1HH2 ARG 31 1HH1 ARG 31 -3.224 -11.144 11.291 243 2HH2 ARG 31 2HH1 ARG 31 -2.470 -12.611 10.764 244 H ALA 32 HN ALA 32 1.286 -4.760 9.679 245 HA ALA 32 HA ALA 32 -0.257 -3.866 11.960 246 1HB ALA 32 1HB ALA 32 1.754 -3.972 12.962 247 2HB ALA 32 2HB ALA 32 2.381 -2.698 11.916 248 3HB ALA 32 3HB ALA 32 2.471 -4.382 11.406 249 H GLN 33 HN GLN 33 1.350 -2.213 9.270 250 HA GLN 33 HA GLN 33 0.858 0.456 10.217 251 1HB GLN 33 2HB GLN 33 1.463 -0.723 7.509 252 2HB GLN 33 1HB GLN 33 1.171 1.004 7.714 253 1HG GLN 33 2HG GLN 33 3.220 -0.539 9.325 254 2HG GLN 33 1HG GLN 33 3.608 0.324 7.836 255 1HE2 GLN 33 1HE2 GLN 33 2.135 2.672 8.081 256 2HE2 GLN 33 2HE2 GLN 33 2.633 3.536 9.454 257 H THR 34 HN THR 34 -1.269 -1.896 8.934 258 HA THR 34 HA THR 34 -3.263 0.256 8.328 259 HB THR 34 HB THR 34 -4.338 -1.471 6.816 260 HG1 THR 34 HG1 THR 34 -1.822 -2.738 7.100 261 1HG2 THR 34 1HG2 THR 34 -1.819 -0.006 6.426 262 2HG2 THR 34 2HG2 THR 34 -3.264 -0.049 5.416 263 3HG2 THR 34 3HG2 THR 34 -2.056 -1.327 5.281 264 H VAL 35 HN VAL 35 -2.775 -1.080 10.943 265 HA VAL 35 HA VAL 35 -5.047 -2.902 11.303 266 HB VAL 35 HB VAL 35 -4.447 -2.776 13.727 267 1HG1 VAL 35 1HG1 VAL 35 -1.819 -3.372 12.954 268 2HG1 VAL 35 2HG1 VAL 35 -2.808 -3.752 11.546 269 3HG1 VAL 35 3HG1 VAL 35 -3.161 -4.506 13.098 270 1HG2 VAL 35 1HG2 VAL 35 -2.231 -1.608 14.215 271 2HG2 VAL 35 2HG2 VAL 35 -3.609 -0.544 13.941 272 3HG2 VAL 35 3HG2 VAL 35 -2.421 -0.791 12.665 273 H GLY 36 HN GLY 36 -7.100 -2.190 11.568 274 1HA GLY 36 2HA GLY 36 -8.881 -0.903 12.401 275 2HA GLY 36 1HA GLY 36 -7.713 0.036 13.325 276 H LYS 37 HN LYS 37 -6.965 -0.155 9.972 277 HA LYS 37 HA LYS 37 -8.220 2.533 9.569 278 1HB LYS 37 2HB LYS 37 -5.476 1.541 8.784 279 2HB LYS 37 1HB LYS 37 -6.207 2.975 8.061 280 1HG LYS 37 2HG LYS 37 -6.634 3.634 10.592 281 2HG LYS 37 1HG LYS 37 -5.284 2.536 10.877 282 1HD LYS 37 2HD LYS 37 -4.190 3.906 8.882 283 2HD LYS 37 1HD LYS 37 -5.329 5.145 9.412 284 1HE LYS 37 2HE LYS 37 -3.516 5.638 10.774 285 2HE LYS 37 1HE LYS 37 -4.395 4.513 11.810 286 1HZ LYS 37 1HE LYS 37 -2.338 3.575 11.853 287 2HZ LYS 37 2HE LYS 37 -1.924 4.108 10.294 288 3HZ LYS 37 3HE LYS 37 -2.961 2.777 10.492 289 H ILE 38 HN ILE 38 -8.554 3.067 7.213 290 HA ILE 38 HA ILE 38 -9.811 0.799 5.868 291 HB ILE 38 HB ILE 38 -9.393 3.666 4.962 292 1HG1 ILE 38 2HG1 ILE 38 -11.839 2.313 6.147 293 2HG1 ILE 38 1HG1 ILE 38 -10.752 3.370 7.048 294 1HG2 ILE 38 1HG2 ILE 38 -10.746 1.292 3.766 295 2HG2 ILE 38 2HG2 ILE 38 -9.928 2.639 2.972 296 3HG2 ILE 38 3HG2 ILE 38 -11.557 2.851 3.613 297 1HD1 ILE 38 1HD1 ILE 38 -11.207 5.126 5.235 298 2HD1 ILE 38 2HD1 ILE 38 -12.538 4.779 6.338 299 3HD1 ILE 38 3HD1 ILE 38 -12.534 4.089 4.714 300 H MET 39 HN MET 39 -8.739 -0.558 4.508 301 HA MET 39 HA MET 39 -6.153 0.369 3.337 302 1HB MET 39 2HB MET 39 -6.117 -1.677 4.763 303 2HB MET 39 1HB MET 39 -7.229 -2.450 3.634 304 1HG MET 39 2HG MET 39 -5.512 -1.951 1.811 305 2HG MET 39 1HG MET 39 -4.393 -1.541 3.111 306 1HE MET 39 1HE MET 39 -6.070 -4.841 1.234 307 2HE MET 39 2HE MET 39 -7.108 -3.764 2.163 308 3HE MET 39 3HE MET 39 -6.751 -5.376 2.777 309 H VAL 40 HN VAL 40 -6.368 1.075 1.255 310 HA VAL 40 HA VAL 40 -8.561 0.011 -0.423 311 HB VAL 40 HB VAL 40 -6.528 2.162 -1.075 312 1HG1 VAL 40 1HG1 VAL 40 -7.584 2.336 -3.062 313 2HG1 VAL 40 2HG1 VAL 40 -9.169 2.335 -2.290 314 3HG1 VAL 40 3HG1 VAL 40 -8.379 0.809 -2.684 315 1HG2 VAL 40 1HG2 VAL 40 -9.223 2.251 0.291 316 2HG2 VAL 40 2HG2 VAL 40 -8.560 3.658 -0.540 317 3HG2 VAL 40 3HG2 VAL 40 -7.701 2.959 0.832 318 H VAL 41 HN VAL 41 -8.177 -1.742 -1.641 319 HA VAL 41 HA VAL 41 -5.503 -2.037 -2.941 320 HB VAL 41 HB VAL 41 -5.861 -4.553 -2.657 321 1HG1 VAL 41 1HG1 VAL 41 -4.276 -3.149 -1.304 322 2HG1 VAL 41 2HG1 VAL 41 -4.890 -4.556 -0.436 323 3HG1 VAL 41 3HG1 VAL 41 -5.550 -2.957 -0.100 324 1HG2 VAL 41 1HG2 VAL 41 -8.321 -4.191 -2.021 325 2HG2 VAL 41 2HG2 VAL 41 -7.728 -3.681 -0.441 326 3HG2 VAL 41 3HG2 VAL 41 -7.413 -5.318 -1.015 327 H GLY 42 HN GLY 42 -5.669 -2.381 -5.128 328 1HA GLY 42 2HA GLY 42 -8.202 -2.238 -6.447 329 2HA GLY 42 1HA GLY 42 -6.675 -2.640 -7.226 330 H ARG 43 HN ARG 43 -9.298 -3.841 -7.691 331 HA ARG 43 HA ARG 43 -9.764 -6.326 -6.497 332 1HB ARG 43 2HB ARG 43 -11.242 -5.292 -8.183 333 2HB ARG 43 1HB ARG 43 -10.037 -5.611 -9.428 334 1HG ARG 43 2HG ARG 43 -10.821 -7.961 -7.810 335 2HG ARG 43 1HG ARG 43 -12.089 -7.305 -8.845 336 1HD ARG 43 2HD ARG 43 -9.319 -8.176 -9.721 337 2HD ARG 43 1HD ARG 43 -10.839 -8.984 -10.093 338 HE ARG 43 HE ARG 43 -10.871 -6.240 -11.012 339 1HH1 ARG 43 1HH2 ARG 43 -9.680 -9.431 -11.680 340 2HH1 ARG 43 2HH2 ARG 43 -9.563 -9.159 -13.385 341 1HH2 ARG 43 1HH1 ARG 43 -10.711 -5.901 -13.242 342 2HH2 ARG 43 2HH1 ARG 43 -10.144 -7.176 -14.263 343 H ARG 44 HN ARG 44 -7.092 -5.446 -8.566 344 HA ARG 44 HA ARG 44 -6.493 -8.204 -9.337 345 1HB ARG 44 2HB ARG 44 -4.992 -5.598 -9.570 346 2HB ARG 44 1HB ARG 44 -4.310 -7.131 -10.104 347 1HG ARG 44 2HG ARG 44 -7.061 -6.540 -11.047 348 2HG ARG 44 1HG ARG 44 -5.787 -5.518 -11.712 349 1HD ARG 44 2HD ARG 44 -4.513 -7.582 -12.323 350 2HD ARG 44 1HD ARG 44 -5.882 -8.547 -11.773 351 HE ARG 44 HE ARG 44 -6.710 -6.566 -13.710 352 1HH1 ARG 44 1HH1 ARG 44 -5.162 -9.645 -13.304 353 2HH1 ARG 44 2HH1 ARG 44 -5.604 -10.208 -14.879 354 1HH2 ARG 44 1HH2 ARG 44 -7.281 -7.307 -15.755 355 2HH2 ARG 44 2HH2 ARG 44 -6.799 -8.892 -16.261 356 H THR 45 HN THR 45 -5.103 -5.794 -7.082 357 HA THR 45 HA THR 45 -3.170 -7.655 -5.990 358 HB THR 45 HB THR 45 -4.309 -5.236 -4.572 359 HG1 THR 45 HG1 THR 45 -2.331 -5.424 -6.589 360 1HG2 THR 45 1HG2 THR 45 -2.226 -7.140 -4.029 361 2HG2 THR 45 2HG2 THR 45 -2.740 -5.765 -3.052 362 3HG2 THR 45 3HG2 THR 45 -1.503 -5.554 -4.289 363 H TYR 46 HN TYR 46 -6.389 -6.523 -4.919 364 HA TYR 46 HA TYR 46 -6.530 -8.004 -2.503 365 1HB TYR 46 2HB TYR 46 -8.172 -6.261 -3.185 366 2HB TYR 46 1HB TYR 46 -8.793 -7.357 -4.418 367 HD1 TYR 46 HD1 TYR 46 -10.398 -9.005 -3.879 368 HD2 TYR 46 HD2 TYR 46 -8.232 -7.033 -0.738 369 HE1 TYR 46 HE1 TYR 46 -11.869 -10.074 -2.192 370 HE2 TYR 46 HE2 TYR 46 -9.702 -8.101 0.948 371 HH TYR 46 HH TYR 46 -11.145 -10.266 1.017 372 H GLU 47 HN GLU 47 -7.141 -8.953 -5.853 373 HA GLU 47 HA GLU 47 -8.170 -11.585 -5.131 374 1HB GLU 47 2HB GLU 47 -7.433 -10.186 -7.678 375 2HB GLU 47 1HB GLU 47 -7.586 -11.944 -7.689 376 1HG GLU 47 HG2 GLU 47 -9.830 -11.265 -6.306 377 2HG GLU 47 HG1 GLU 47 -9.677 -9.870 -7.374 378 H SER 48 HN SER 48 -5.054 -10.187 -5.355 379 HA SER 48 HA SER 48 -3.757 -12.829 -5.790 380 1HB SER 48 2HB SER 48 -1.648 -11.490 -5.872 381 2HB SER 48 1HB SER 48 -2.824 -10.986 -7.084 382 HG SER 48 HG SER 48 -2.479 -9.795 -4.526 383 H PHE 49 HN PHE 49 -4.612 -10.612 -3.291 384 HA PHE 49 HA PHE 49 -2.694 -10.909 -1.308 385 1HB PHE 49 2HB PHE 49 -5.586 -10.442 -1.386 386 2HB PHE 49 1HB PHE 49 -5.064 -11.230 0.100 387 HD1 PHE 49 HD1 PHE 49 -3.578 -10.105 1.671 388 HD2 PHE 49 HD2 PHE 49 -4.761 -8.217 -1.997 389 HE1 PHE 49 HE1 PHE 49 -2.752 -7.931 2.524 390 HE2 PHE 49 HE2 PHE 49 -3.931 -6.045 -1.148 391 HZ PHE 49 HZ PHE 49 -2.924 -5.899 1.112 392 HA PRO 50 HA PRO 50 -2.668 -15.249 -0.248 393 1HB PRO 50 2HB PRO 50 -1.453 -14.909 2.245 394 2HB PRO 50 1HB PRO 50 -0.607 -15.061 0.699 395 1HG PRO 50 2HG PRO 50 -0.809 -12.757 2.396 396 2HG PRO 50 1HG PRO 50 0.082 -12.930 0.877 397 1HD PRO 50 2HD PRO 50 -2.471 -11.605 1.364 398 2HD PRO 50 1HD PRO 50 -1.428 -11.533 -0.066 399 H LYS 51 HN LYS 51 -3.294 -13.186 2.619 400 HA LYS 51 HA LYS 51 -5.555 -15.022 3.305 401 1HB LYS 51 2HB LYS 51 -3.765 -13.338 5.080 402 2HB LYS 51 1HB LYS 51 -5.216 -14.160 5.655 403 1HG LYS 51 2HG LYS 51 -4.197 -16.183 5.671 404 2HG LYS 51 1HG LYS 51 -3.438 -15.908 4.103 405 1HD LYS 51 2HD LYS 51 -2.475 -14.615 6.667 406 2HD LYS 51 1HD LYS 51 -1.813 -16.121 6.030 407 1HE LYS 51 2HE LYS 51 -0.616 -15.045 4.438 408 2HE LYS 51 1HE LYS 51 -1.974 -14.008 4.005 409 1HZ LYS 51 1HE LYS 51 -0.947 -13.360 6.582 410 2HZ LYS 51 2HE LYS 51 -1.154 -12.364 5.221 411 3HZ LYS 51 3HE LYS 51 0.269 -13.273 5.403 412 H ARG 52 HN ARG 52 -7.509 -14.101 2.978 413 HA ARG 52 HA ARG 52 -7.895 -11.256 3.688 414 1HB ARG 52 2HB ARG 52 -9.347 -11.319 1.371 415 2HB ARG 52 1HB ARG 52 -7.726 -10.645 1.503 416 1HG ARG 52 2HG ARG 52 -6.832 -12.954 0.934 417 2HG ARG 52 1HG ARG 52 -8.493 -13.419 0.560 418 1HD ARG 52 2HD ARG 52 -7.328 -10.939 -0.668 419 2HD ARG 52 1HD ARG 52 -6.947 -12.513 -1.360 420 HE ARG 52 HE ARG 52 -9.661 -11.299 -1.222 421 1HH1 ARG 52 1HH1 ARG 52 -7.504 -13.813 -2.291 422 2HH1 ARG 52 2HH1 ARG 52 -8.632 -14.444 -3.438 423 1HH2 ARG 52 1HH2 ARG 52 -11.105 -12.135 -2.719 424 2HH2 ARG 52 2HH2 ARG 52 -10.656 -13.504 -3.679 425 HA PRO 53 HA PRO 53 -9.378 -9.837 3.788 426 1HB PRO 53 2HB PRO 53 -11.102 -9.022 5.827 427 2HB PRO 53 1HB PRO 53 -11.423 -8.886 4.092 428 1HG PRO 53 2HG PRO 53 -12.729 -10.570 6.007 429 2HG PRO 53 1HG PRO 53 -13.065 -10.409 4.277 430 1HD PRO 53 2HD PRO 53 -11.608 -12.526 5.684 431 2HD PRO 53 1HD PRO 53 -12.261 -12.518 4.037 432 H LEU 54 HN LEU 54 -8.643 -8.412 5.739 433 HA LEU 54 HA LEU 54 -6.983 -10.091 7.463 434 1HB LEU 54 2HB LEU 54 -7.341 -7.079 7.459 435 2HB LEU 54 1HB LEU 54 -6.035 -7.975 8.239 436 HG LEU 54 HG LEU 54 -6.583 -8.236 5.283 437 1HD1 LEU 54 1HD1 LEU 54 -5.143 -6.079 6.785 438 2HD1 LEU 54 2HD1 LEU 54 -6.113 -5.964 5.316 439 3HD1 LEU 54 3HD1 LEU 54 -4.479 -6.623 5.245 440 1HD2 LEU 54 1HD2 LEU 54 -4.459 -9.028 7.229 441 2HD2 LEU 54 2HD2 LEU 54 -3.953 -8.614 5.591 442 3HD2 LEU 54 3HD2 LEU 54 -5.108 -9.921 5.853 443 HA PRO 55 HA PRO 55 -9.791 -10.353 10.894 444 1HB PRO 55 2HB PRO 55 -7.667 -10.653 12.783 445 2HB PRO 55 1HB PRO 55 -8.679 -11.919 12.077 446 1HG PRO 55 2HG PRO 55 -5.929 -11.396 11.572 447 2HG PRO 55 1HG PRO 55 -6.957 -12.630 10.833 448 1HD PRO 55 2HD PRO 55 -5.956 -10.192 9.658 449 2HD PRO 55 1HD PRO 55 -6.886 -11.487 8.891 450 H GLU 56 HN GLU 56 -10.629 -8.890 12.346 451 HA GLU 56 HA GLU 56 -10.923 -6.769 13.329 452 1HB GLU 56 2HB GLU 56 -8.390 -7.940 14.334 453 2HB GLU 56 1HB GLU 56 -8.616 -6.219 14.647 454 1HG GLU 56 HG2 GLU 56 -10.978 -6.866 15.464 455 2HG GLU 56 HG1 GLU 56 -10.368 -8.521 15.506 456 H ARG 57 HN ARG 57 -9.993 -6.656 10.586 457 HA ARG 57 HA ARG 57 -8.665 -3.995 10.707 458 1HB ARG 57 2HB ARG 57 -7.688 -6.448 9.300 459 2HB ARG 57 1HB ARG 57 -7.458 -4.888 8.511 460 1HG ARG 57 2HG ARG 57 -5.739 -4.404 9.876 461 2HG ARG 57 1HG ARG 57 -6.763 -4.638 11.292 462 1HD ARG 57 2HD ARG 57 -6.238 -7.230 10.339 463 2HD ARG 57 1HD ARG 57 -4.700 -6.376 10.221 464 HE ARG 57 HE ARG 57 -5.747 -5.750 12.753 465 1HH1 ARG 57 1HH2 ARG 57 -4.767 -8.558 10.967 466 2HH1 ARG 57 2HH2 ARG 57 -4.285 -9.434 12.379 467 1HH2 ARG 57 1HH1 ARG 57 -5.118 -6.897 14.584 468 2HH2 ARG 57 2HH1 ARG 57 -4.482 -8.499 14.418 469 H THR 58 HN THR 58 -9.672 -2.547 9.393 470 HA THR 58 HA THR 58 -11.897 -3.499 7.714 471 HB THR 58 HB THR 58 -10.974 -0.638 8.043 472 HG1 THR 58 HG1 THR 58 -11.552 -0.777 10.036 473 1HG2 THR 58 1HG2 THR 58 -13.808 -1.041 8.007 474 2HG2 THR 58 2HG2 THR 58 -13.104 -1.934 6.660 475 3HG2 THR 58 3HG2 THR 58 -12.808 -0.203 6.822 476 H ASN 59 HN ASN 59 -11.618 -3.918 5.583 477 HA ASN 59 HA ASN 59 -9.417 -2.483 4.148 478 1HB ASN 59 2HB ASN 59 -10.324 -5.218 3.295 479 2HB ASN 59 1HB ASN 59 -8.764 -4.436 3.045 480 1HD2 ASN 59 1HD2 ASN 59 -8.244 -3.614 5.752 481 2HD2 ASN 59 2HD2 ASN 59 -8.025 -5.008 6.695 482 H VAL 60 HN VAL 60 -9.924 -1.785 2.029 483 HA VAL 60 HA VAL 60 -12.765 -2.195 1.195 484 HB VAL 60 HB VAL 60 -11.093 0.330 0.969 485 1HG1 VAL 60 1HG1 VAL 60 -12.407 0.625 -0.876 486 2HG1 VAL 60 2HG1 VAL 60 -13.639 1.042 0.315 487 3HG1 VAL 60 3HG1 VAL 60 -13.578 -0.587 -0.358 488 1HG2 VAL 60 1HG2 VAL 60 -13.735 0.104 2.377 489 2HG2 VAL 60 2HG2 VAL 60 -12.413 1.229 2.666 490 3HG2 VAL 60 3HG2 VAL 60 -12.277 -0.445 3.202 491 H VAL 61 HN VAL 61 -13.033 -2.804 -0.927 492 HA VAL 61 HA VAL 61 -10.547 -3.094 -2.544 493 HB VAL 61 HB VAL 61 -13.255 -4.383 -2.988 494 1HG1 VAL 61 1HG1 VAL 61 -10.480 -4.831 -4.109 495 2HG1 VAL 61 2HG1 VAL 61 -11.947 -4.409 -4.994 496 3HG1 VAL 61 3HG1 VAL 61 -11.780 -6.011 -4.276 497 1HG2 VAL 61 1HG2 VAL 61 -12.115 -4.953 -0.775 498 2HG2 VAL 61 2HG2 VAL 61 -10.809 -5.650 -1.733 499 3HG2 VAL 61 3HG2 VAL 61 -12.436 -6.321 -1.841 500 H LEU 62 HN LEU 62 -10.584 -2.438 -4.773 501 HA LEU 62 HA LEU 62 -12.776 -0.513 -5.440 502 1HB LEU 62 2HB LEU 62 -9.854 -0.180 -5.412 503 2HB LEU 62 1HB LEU 62 -10.598 0.311 -6.935 504 HG LEU 62 HG LEU 62 -12.287 1.616 -5.531 505 1HD1 LEU 62 1HD1 LEU 62 -10.286 0.789 -3.430 506 2HD1 LEU 62 2HD1 LEU 62 -12.046 0.700 -3.366 507 3HD1 LEU 62 3HD1 LEU 62 -11.237 2.263 -3.252 508 1HD2 LEU 62 1HD2 LEU 62 -9.860 2.333 -6.579 509 2HD2 LEU 62 2HD2 LEU 62 -9.656 2.812 -4.894 510 3HD2 LEU 62 3HD2 LEU 62 -10.990 3.468 -5.842 511 H THR 63 HN THR 63 -13.913 -1.220 -7.181 512 HA THR 63 HA THR 63 -12.471 -2.471 -9.432 513 HB THR 63 HB THR 63 -13.091 -4.368 -7.965 514 HG1 THR 63 HG1 THR 63 -13.198 -4.514 -10.290 515 1HG2 THR 63 1HG2 THR 63 -15.080 -4.455 -6.910 516 2HG2 THR 63 2HG2 THR 63 -15.954 -4.236 -8.426 517 3HG2 THR 63 3HG2 THR 63 -15.396 -2.831 -7.518 518 H HIS 64 HN HIS 64 -13.932 -2.719 -11.344 519 HA HIS 64 HA HIS 64 -15.984 -0.557 -11.333 520 1HB HIS 64 2HB HIS 64 -14.218 -1.736 -13.470 521 2HB HIS 64 1HB HIS 64 -15.688 -0.863 -13.906 522 HD1 HIS 64 HD1 HIS 64 -15.811 1.679 -13.237 523 HD2 HIS 64 HD2 HIS 64 -12.112 -0.110 -12.521 524 HE1 HIS 64 HE1 HIS 64 -14.173 3.564 -12.818 525 H GLN 65 HN GLN 65 -16.067 -3.690 -10.722 526 HA GLN 65 HA GLN 65 -17.948 -4.648 -12.731 527 1HB GLN 65 2HB GLN 65 -16.819 -5.704 -10.157 528 2HB GLN 65 1HB GLN 65 -18.252 -6.468 -10.846 529 1HG GLN 65 2HG GLN 65 -16.258 -7.608 -11.673 530 2HG GLN 65 1HG GLN 65 -17.025 -6.740 -13.002 531 1HE2 GLN 65 1HE2 GLN 65 -14.096 -7.051 -11.177 532 2HE2 GLN 65 2HE2 GLN 65 -13.260 -5.757 -11.893 533 H GLU 66 HN GLU 66 -20.062 -5.716 -11.612 534 HA GLU 66 HA GLU 66 -21.337 -3.542 -9.998 535 1HB GLU 66 2HB GLU 66 -22.038 -3.820 -12.481 536 2HB GLU 66 1HB GLU 66 -22.853 -5.285 -11.934 537 1HG GLU 66 HG2 GLU 66 -24.279 -4.078 -10.470 538 2HG GLU 66 HG1 GLU 66 -23.281 -2.627 -10.567 539 H ASP 67 HN ASP 67 -20.965 -6.999 -10.523 540 HA ASP 67 HA ASP 67 -22.725 -7.487 -8.158 541 1HB ASP 67 2HB ASP 67 -23.106 -8.606 -10.514 542 2HB ASP 67 1HB ASP 67 -21.813 -9.683 -9.985 543 H TYR 68 HN TYR 68 -19.886 -6.643 -8.004 544 HA TYR 68 HA TYR 68 -18.169 -8.858 -7.459 545 1HB TYR 68 2HB TYR 68 -17.706 -6.241 -7.551 546 2HB TYR 68 1HB TYR 68 -17.966 -6.363 -5.811 547 HD1 TYR 68 HD1 TYR 68 -16.085 -8.017 -8.598 548 HD2 TYR 68 HD2 TYR 68 -16.199 -7.023 -4.422 549 HE1 TYR 68 HE1 TYR 68 -13.800 -8.936 -8.318 550 HE2 TYR 68 HE2 TYR 68 -13.913 -7.942 -4.140 551 HH TYR 68 HH TYR 68 -12.322 -9.727 -6.682 552 H GLN 69 HN GLN 69 -18.590 -10.443 -5.971 553 HA GLN 69 HA GLN 69 -20.207 -9.727 -3.577 554 1HB GLN 69 2HB GLN 69 -19.425 -12.498 -4.514 555 2HB GLN 69 1HB GLN 69 -20.706 -12.065 -3.382 556 1HG GLN 69 2HG GLN 69 -21.595 -10.643 -5.430 557 2HG GLN 69 1HG GLN 69 -20.645 -11.798 -6.365 558 1HE2 GLN 69 1HE2 GLN 69 -23.616 -11.595 -6.262 559 2HE2 GLN 69 2HE2 GLN 69 -24.167 -13.096 -5.693 560 H ALA 70 HN ALA 70 -18.755 -8.947 -2.064 561 HA ALA 70 HA ALA 70 -16.602 -10.838 -1.235 562 1HB ALA 70 1HB ALA 70 -16.056 -7.919 -0.989 563 2HB ALA 70 2HB ALA 70 -15.956 -8.616 -2.606 564 3HB ALA 70 3HB ALA 70 -14.941 -9.248 -1.309 565 H GLN 71 HN GLN 71 -18.153 -11.424 0.454 566 HA GLN 71 HA GLN 71 -19.099 -9.407 2.328 567 1HB GLN 71 2HB GLN 71 -19.014 -12.434 2.461 568 2HB GLN 71 1HB GLN 71 -19.749 -11.420 3.703 569 1HG GLN 71 2HG GLN 71 -21.595 -11.867 2.364 570 2HG GLN 71 1HG GLN 71 -21.022 -10.361 1.644 571 1HE2 GLN 71 1HE2 GLN 71 -20.689 -10.443 -0.580 572 2HE2 GLN 71 2HE2 GLN 71 -20.432 -11.863 -1.473 573 H GLY 72 HN GLY 72 -18.051 -8.665 4.120 574 1HA GLY 72 2HA GLY 72 -16.604 -9.132 6.076 575 2HA GLY 72 1HA GLY 72 -15.617 -10.147 5.021 576 H ALA 73 HN ALA 73 -15.609 -8.336 2.767 577 HA ALA 73 HA ALA 73 -13.868 -6.191 3.901 578 1HB ALA 73 1HB ALA 73 -12.302 -6.873 2.438 579 2HB ALA 73 2HB ALA 73 -13.410 -6.570 1.099 580 3HB ALA 73 3HB ALA 73 -13.383 -8.150 1.883 581 H VAL 74 HN VAL 74 -14.224 -4.110 3.260 582 HA VAL 74 HA VAL 74 -16.810 -3.323 2.317 583 HB VAL 74 HB VAL 74 -14.253 -1.704 2.152 584 1HG1 VAL 74 1HG1 VAL 74 -17.184 -0.945 2.305 585 2HG1 VAL 74 2HG1 VAL 74 -16.101 -0.689 0.936 586 3HG1 VAL 74 3HG1 VAL 74 -15.851 0.202 2.437 587 1HG2 VAL 74 1HG2 VAL 74 -16.082 -2.400 4.429 588 2HG2 VAL 74 2HG2 VAL 74 -15.293 -0.823 4.406 589 3HG2 VAL 74 3HG2 VAL 74 -14.321 -2.295 4.409 590 H VAL 75 HN VAL 75 -17.257 -2.172 0.188 591 HA VAL 75 HA VAL 75 -15.405 -2.919 -1.999 592 HB VAL 75 HB VAL 75 -18.343 -3.685 -1.986 593 1HG1 VAL 75 1HG1 VAL 75 -17.960 -3.455 -4.231 594 2HG1 VAL 75 2HG1 VAL 75 -17.208 -5.039 -4.041 595 3HG1 VAL 75 3HG1 VAL 75 -16.210 -3.585 -4.050 596 1HG2 VAL 75 1HG2 VAL 75 -15.816 -5.342 -1.721 597 2HG2 VAL 75 2HG2 VAL 75 -17.410 -6.024 -2.041 598 3HG2 VAL 75 3HG2 VAL 75 -17.102 -5.178 -0.525 599 H VAL 76 HN VAL 76 -15.307 -1.260 -3.465 600 HA VAL 76 HA VAL 76 -17.643 0.539 -3.784 601 HB VAL 76 HB VAL 76 -16.170 2.545 -3.554 602 1HG1 VAL 76 1HG1 VAL 76 -16.443 0.678 -1.188 603 2HG1 VAL 76 2HG1 VAL 76 -17.513 2.003 -1.646 604 3HG1 VAL 76 3HG1 VAL 76 -15.897 2.347 -1.031 605 1HG2 VAL 76 1HG2 VAL 76 -14.134 0.568 -3.580 606 2HG2 VAL 76 2HG2 VAL 76 -14.095 1.307 -1.981 607 3HG2 VAL 76 3HG2 VAL 76 -13.934 2.312 -3.420 608 H HIS 77 HN HIS 77 -17.278 2.028 -5.706 609 HA HIS 77 HA HIS 77 -15.246 0.970 -7.612 610 1HB HIS 77 2HB HIS 77 -18.041 1.554 -8.565 611 2HB HIS 77 1HB HIS 77 -16.799 0.556 -9.320 612 HD1 HIS 77 HD1 HIS 77 -16.696 -1.901 -8.651 613 HD2 HIS 77 HD2 HIS 77 -19.355 0.285 -6.302 614 HE1 HIS 77 HE1 HIS 77 -17.966 -3.586 -7.252 615 H ASP 78 HN ASP 78 -15.443 3.466 -6.048 616 HA ASP 78 HA ASP 78 -14.896 5.326 -8.204 617 1HB ASP 78 2HB ASP 78 -17.590 5.136 -7.405 618 2HB ASP 78 1HB ASP 78 -16.978 6.598 -6.633 619 H VAL 79 HN VAL 79 -13.038 6.080 -7.271 620 HA VAL 79 HA VAL 79 -12.287 6.198 -4.618 621 HB VAL 79 HB VAL 79 -11.690 8.227 -6.792 622 1HG1 VAL 79 1HG1 VAL 79 -10.565 7.845 -4.018 623 2HG1 VAL 79 2HG1 VAL 79 -11.103 9.337 -4.788 624 3HG1 VAL 79 3HG1 VAL 79 -9.600 8.573 -5.302 625 1HG2 VAL 79 1HG2 VAL 79 -10.575 6.432 -7.621 626 2HG2 VAL 79 2HG2 VAL 79 -10.738 5.527 -6.116 627 3HG2 VAL 79 3HG2 VAL 79 -9.436 6.702 -6.302 628 H ALA 80 HN ALA 80 -14.485 8.414 -6.259 629 HA ALA 80 HA ALA 80 -14.540 10.503 -4.330 630 1HB ALA 80 1HB ALA 80 -16.980 10.756 -5.161 631 2HB ALA 80 2HB ALA 80 -16.603 9.421 -6.251 632 3HB ALA 80 3HB ALA 80 -15.693 10.928 -6.355 633 H ALA 81 HN ALA 81 -16.323 7.442 -4.495 634 HA ALA 81 HA ALA 81 -17.950 7.902 -2.170 635 1HB ALA 81 1HB ALA 81 -17.017 5.202 -3.167 636 2HB ALA 81 2HB ALA 81 -18.294 6.121 -3.965 637 3HB ALA 81 3HB ALA 81 -18.506 5.578 -2.300 638 H VAL 82 HN VAL 82 -14.835 6.199 -2.611 639 HA VAL 82 HA VAL 82 -14.506 5.355 0.080 640 HB VAL 82 HB VAL 82 -12.270 6.245 -1.761 641 1HG1 VAL 82 1HG1 VAL 82 -12.115 5.426 0.806 642 2HG1 VAL 82 2HG1 VAL 82 -10.874 5.050 -0.388 643 3HG1 VAL 82 3HG1 VAL 82 -12.110 3.856 0.004 644 1HG2 VAL 82 1HG2 VAL 82 -12.286 3.883 -2.571 645 2HG2 VAL 82 2HG2 VAL 82 -13.754 4.753 -3.011 646 3HG2 VAL 82 3HG2 VAL 82 -13.776 3.610 -1.668 647 H PHE 83 HN PHE 83 -13.540 8.388 -1.524 648 HA PHE 83 HA PHE 83 -12.217 9.560 0.711 649 1HB PHE 83 2HB PHE 83 -13.504 10.587 -1.784 650 2HB PHE 83 1HB PHE 83 -13.152 11.748 -0.505 651 HD1 PHE 83 HD1 PHE 83 -11.861 10.569 -3.428 652 HD2 PHE 83 HD2 PHE 83 -10.702 11.032 0.680 653 HE1 PHE 83 HE1 PHE 83 -9.476 10.595 -4.104 654 HE2 PHE 83 HE2 PHE 83 -8.318 11.059 0.004 655 HZ PHE 83 HZ PHE 83 -7.704 10.840 -2.388 656 H ALA 84 HN ALA 84 -15.604 9.140 -0.026 657 HA ALA 84 HA ALA 84 -16.514 11.121 1.920 658 1HB ALA 84 1HB ALA 84 -17.686 9.765 -0.216 659 2HB ALA 84 2HB ALA 84 -18.519 10.813 0.931 660 3HB ALA 84 3HB ALA 84 -18.467 9.072 1.205 661 H TYR 85 HN TYR 85 -15.545 7.772 2.027 662 HA TYR 85 HA TYR 85 -17.036 7.155 4.460 663 1HB TYR 85 2HB TYR 85 -16.038 5.551 2.602 664 2HB TYR 85 1HB TYR 85 -14.592 5.638 3.608 665 HD1 TYR 85 HD1 TYR 85 -18.301 5.160 3.961 666 HD2 TYR 85 HD2 TYR 85 -14.376 4.120 5.361 667 HE1 TYR 85 HE1 TYR 85 -19.297 3.525 5.538 668 HE2 TYR 85 HE2 TYR 85 -15.370 2.485 6.938 669 HH TYR 85 HH TYR 85 -18.263 2.472 7.987 670 H ALA 86 HN ALA 86 -13.567 7.658 3.712 671 HA ALA 86 HA ALA 86 -12.602 7.634 6.366 672 1HB ALA 86 1HB ALA 86 -10.907 7.691 4.763 673 2HB ALA 86 2HB ALA 86 -10.883 9.354 5.347 674 3HB ALA 86 3HB ALA 86 -11.695 8.963 3.831 675 H LYS 87 HN LYS 87 -13.960 10.310 4.466 676 HA LYS 87 HA LYS 87 -13.558 12.346 6.446 677 1HB LYS 87 2HB LYS 87 -14.805 12.116 3.870 678 2HB LYS 87 1HB LYS 87 -15.944 12.890 4.971 679 1HG LYS 87 2HG LYS 87 -14.737 14.796 5.024 680 2HG LYS 87 1HG LYS 87 -13.236 13.921 5.323 681 1HD LYS 87 2HD LYS 87 -12.609 14.111 3.166 682 2HD LYS 87 1HD LYS 87 -14.159 13.487 2.602 683 1HE LYS 87 2HE LYS 87 -13.927 16.313 3.618 684 2HE LYS 87 1HE LYS 87 -13.501 15.920 1.953 685 1HZ LYS 87 1HE LYS 87 -16.052 14.953 3.037 686 2HZ LYS 87 2HE LYS 87 -15.639 15.349 1.438 687 3HZ LYS 87 3HE LYS 87 -15.927 16.579 2.574 688 H GLN 88 HN GLN 88 -15.981 9.846 6.022 689 HA GLN 88 HA GLN 88 -17.775 11.031 8.026 690 1HB GLN 88 2HB GLN 88 -17.975 9.034 5.978 691 2HB GLN 88 1HB GLN 88 -18.451 8.310 7.514 692 1HG GLN 88 2HG GLN 88 -20.443 9.273 6.625 693 2HG GLN 88 1HG GLN 88 -19.899 10.391 7.876 694 1HE2 GLN 88 1HE2 GLN 88 -19.329 9.855 4.343 695 2HE2 GLN 88 2HE2 GLN 88 -19.354 11.505 3.945 696 H HIS 89 HN HIS 89 -15.327 8.448 7.907 697 HA HIS 89 HA HIS 89 -16.025 7.594 10.641 698 1HB HIS 89 2HB HIS 89 -14.182 6.635 8.492 699 2HB HIS 89 1HB HIS 89 -13.826 6.184 10.160 700 HD1 HIS 89 HD1 HIS 89 -14.905 4.049 10.827 701 HD2 HIS 89 HD2 HIS 89 -17.180 6.075 7.982 702 HE1 HIS 89 HE1 HIS 89 -16.932 2.602 10.368 703 HA PRO 90 HA PRO 90 -12.980 10.545 12.249 704 1HB PRO 90 2HB PRO 90 -14.003 10.400 14.824 705 2HB PRO 90 1HB PRO 90 -14.557 11.522 13.573 706 1HG PRO 90 2HG PRO 90 -15.964 9.293 14.729 707 2HG PRO 90 1HG PRO 90 -16.550 10.483 13.558 708 1HD PRO 90 2HD PRO 90 -15.663 7.736 13.097 709 2HD PRO 90 1HD PRO 90 -16.537 8.829 12.010 710 H ASP 91 HN ASP 91 -13.158 7.286 12.527 711 HA ASP 91 HA ASP 91 -10.816 7.200 14.372 712 1HB ASP 91 2HB ASP 91 -13.349 5.583 14.515 713 2HB ASP 91 1HB ASP 91 -11.829 4.888 15.079 714 H GLN 92 HN GLN 92 -11.787 6.772 11.335 715 HA GLN 92 HA GLN 92 -9.749 4.693 10.803 716 1HB GLN 92 2HB GLN 92 -12.431 4.002 10.857 717 2HB GLN 92 1HB GLN 92 -12.174 4.383 9.155 718 1HG GLN 92 2HG GLN 92 -10.934 2.524 8.821 719 2HG GLN 92 1HG GLN 92 -9.995 2.796 10.286 720 1HE2 GLN 92 1HE2 GLN 92 -13.344 1.787 9.376 721 2HE2 GLN 92 2HE2 GLN 92 -13.481 0.624 10.605 722 H GLU 93 HN GLU 93 -8.390 5.976 9.482 723 HA GLU 93 HA GLU 93 -9.653 7.943 7.699 724 1HB GLU 93 2HB GLU 93 -6.779 7.287 8.393 725 2HB GLU 93 1HB GLU 93 -7.225 8.499 7.193 726 1HG GLU 93 HG2 GLU 93 -8.331 9.849 8.809 727 2HG GLU 93 HG1 GLU 93 -8.323 8.553 10.006 728 H LEU 94 HN LEU 94 -7.714 7.841 5.618 729 HA LEU 94 HA LEU 94 -8.574 5.329 4.260 730 1HB LEU 94 2HB LEU 94 -8.905 7.920 3.448 731 2HB LEU 94 1HB LEU 94 -7.401 7.496 2.633 732 HG LEU 94 HG LEU 94 -8.574 5.378 1.840 733 1HD1 LEU 94 1HD1 LEU 94 -10.797 5.033 2.255 734 2HD1 LEU 94 2HD1 LEU 94 -11.179 6.753 2.189 735 3HD1 LEU 94 3HD1 LEU 94 -10.481 6.060 3.653 736 1HD2 LEU 94 1HD2 LEU 94 -8.242 7.091 0.229 737 2HD2 LEU 94 2HD2 LEU 94 -9.416 8.156 1.001 738 3HD2 LEU 94 3HD2 LEU 94 -9.964 6.724 0.129 739 H VAL 95 HN VAL 95 -6.991 3.816 4.103 740 HA VAL 95 HA VAL 95 -4.167 4.780 3.852 741 HB VAL 95 HB VAL 95 -5.145 2.144 5.005 742 1HG1 VAL 95 1HG1 VAL 95 -2.461 3.274 4.320 743 2HG1 VAL 95 2HG1 VAL 95 -3.039 1.612 4.205 744 3HG1 VAL 95 3HG1 VAL 95 -2.600 2.287 5.775 745 1HG2 VAL 95 1HG2 VAL 95 -5.609 4.002 6.521 746 2HG2 VAL 95 2HG2 VAL 95 -3.972 4.621 6.306 747 3HG2 VAL 95 3HG2 VAL 95 -4.232 3.086 7.133 748 H ILE 96 HN ILE 96 -3.265 4.330 1.915 749 HA ILE 96 HA ILE 96 -4.732 2.619 0.026 750 HB ILE 96 HB ILE 96 -2.136 4.111 -0.416 751 1HG1 ILE 96 2HG1 ILE 96 -3.956 5.610 0.413 752 2HG1 ILE 96 1HG1 ILE 96 -3.503 5.956 -1.254 753 1HG2 ILE 96 1HG2 ILE 96 -4.280 3.044 -2.273 754 2HG2 ILE 96 2HG2 ILE 96 -2.623 2.463 -2.132 755 3HG2 ILE 96 3HG2 ILE 96 -2.939 4.067 -2.787 756 1HD1 ILE 96 1HD1 ILE 96 -5.439 4.910 -2.120 757 2HD1 ILE 96 2HD1 ILE 96 -6.022 5.818 -0.725 758 3HD1 ILE 96 3HD1 ILE 96 -5.771 4.078 -0.602 759 H ALA 97 HN ALA 97 -3.898 0.745 -0.918 760 HA ALA 97 HA ALA 97 -1.421 -0.371 0.319 761 1HB ALA 97 1HB ALA 97 -2.767 -2.631 -0.113 762 2HB ALA 97 2HB ALA 97 -4.155 -1.560 0.082 763 3HB ALA 97 3HB ALA 97 -2.974 -1.718 1.382 764 H GLY 98 HN GLY 98 -2.870 0.682 -2.447 765 1HA GLY 98 2HA GLY 98 -1.750 0.621 -4.566 766 2HA GLY 98 1HA GLY 98 -1.001 -0.902 -4.104 767 H GLY 99 HN GLY 99 -3.319 -2.218 -6.479 768 1HA GLY 99 2HA GLY 99 -0.581 -1.916 -5.637 769 2HA GLY 99 1HA GLY 99 -1.126 -2.405 -7.235 770 H ALA 100 HN ALA 100 0.153 -1.093 -8.489 771 HA ALA 100 HA ALA 100 0.780 1.645 -7.925 772 1HB ALA 100 1HB ALA 100 1.703 -0.151 -9.722 773 2HB ALA 100 2HB ALA 100 1.949 1.586 -9.896 774 3HB ALA 100 3HB ALA 100 0.640 0.789 -10.768 775 H GLN 101 HN GLN 101 -1.862 0.121 -9.696 776 HA GLN 101 HA GLN 101 -2.904 2.407 -10.986 777 1HB GLN 101 2HB GLN 101 -3.671 -0.229 -10.760 778 2HB GLN 101 1HB GLN 101 -4.955 0.605 -9.883 779 1HG GLN 101 2HG GLN 101 -5.810 1.509 -11.776 780 2HG GLN 101 1HG GLN 101 -4.214 1.951 -12.385 781 1HE2 GLN 101 1HE2 GLN 101 -2.867 -0.229 -12.975 782 2HE2 GLN 101 2HE2 GLN 101 -3.735 -1.336 -13.925 783 H ILE 102 HN ILE 102 -3.476 1.233 -7.636 784 HA ILE 102 HA ILE 102 -5.376 3.354 -7.093 785 HB ILE 102 HB ILE 102 -3.831 1.625 -5.142 786 1HG1 ILE 102 2HG1 ILE 102 -5.056 0.256 -6.792 787 2HG1 ILE 102 1HG1 ILE 102 -5.823 0.156 -5.207 788 1HG2 ILE 102 1HG2 ILE 102 -4.954 3.627 -4.182 789 2HG2 ILE 102 2HG2 ILE 102 -5.688 2.123 -3.627 790 3HG2 ILE 102 3HG2 ILE 102 -6.479 3.081 -4.879 791 1HD1 ILE 102 1HD1 ILE 102 -7.388 2.005 -5.957 792 2HD1 ILE 102 2HD1 ILE 102 -7.583 0.480 -6.820 793 3HD1 ILE 102 3HD1 ILE 102 -6.718 1.817 -7.578 794 H PHE 103 HN PHE 103 -1.866 3.080 -6.889 795 HA PHE 103 HA PHE 103 -1.570 5.311 -5.048 796 1HB PHE 103 2HB PHE 103 0.392 4.036 -6.983 797 2HB PHE 103 1HB PHE 103 0.820 5.242 -5.774 798 HD1 PHE 103 HD1 PHE 103 1.649 2.181 -6.186 799 HD2 PHE 103 HD2 PHE 103 -1.022 4.259 -3.536 800 HE1 PHE 103 HE1 PHE 103 1.923 0.384 -4.499 801 HE2 PHE 103 HE2 PHE 103 -0.745 2.460 -1.852 802 HZ PHE 103 HZ PHE 103 0.725 0.524 -2.333 803 H THR 104 HN THR 104 -2.077 4.966 -8.468 804 HA THR 104 HA THR 104 -1.012 7.592 -9.168 805 HB THR 104 HB THR 104 -2.975 6.112 -10.886 806 HG1 THR 104 HG1 THR 104 -0.344 5.351 -11.128 807 1HG2 THR 104 1HG2 THR 104 -2.169 8.101 -11.870 808 2HG2 THR 104 2HG2 THR 104 -1.165 6.839 -12.583 809 3HG2 THR 104 3HG2 THR 104 -0.530 7.835 -11.274 810 H ALA 105 HN ALA 105 -4.328 6.218 -9.007 811 HA ALA 105 HA ALA 105 -5.656 8.693 -9.516 812 1HB ALA 105 1HB ALA 105 -6.452 6.077 -9.124 813 2HB ALA 105 2HB ALA 105 -7.538 7.453 -9.307 814 3HB ALA 105 3HB ALA 105 -7.092 6.891 -7.696 815 H PHE 106 HN PHE 106 -4.294 7.358 -6.567 816 HA PHE 106 HA PHE 106 -5.537 9.538 -4.972 817 1HB PHE 106 2HB PHE 106 -4.041 7.017 -4.249 818 2HB PHE 106 1HB PHE 106 -4.380 8.273 -3.059 819 HD1 PHE 106 HD1 PHE 106 -6.601 8.644 -2.217 820 HD2 PHE 106 HD2 PHE 106 -5.913 5.818 -5.375 821 HE1 PHE 106 HE1 PHE 106 -8.894 7.752 -1.920 822 HE2 PHE 106 HE2 PHE 106 -8.206 4.926 -5.078 823 HZ PHE 106 HZ PHE 106 -9.697 5.893 -3.350 824 H LYS 107 HN LYS 107 -2.743 9.082 -6.755 825 HA LYS 107 HA LYS 107 -0.670 10.008 -5.093 826 1HB LYS 107 2HB LYS 107 0.571 10.384 -7.029 827 2HB LYS 107 1HB LYS 107 -0.636 9.236 -7.595 828 1HG LYS 107 2HG LYS 107 -1.915 10.952 -8.659 829 2HG LYS 107 1HG LYS 107 -1.012 12.229 -7.846 830 1HD LYS 107 2HD LYS 107 0.721 10.418 -9.359 831 2HD LYS 107 1HD LYS 107 -0.461 11.242 -10.375 832 1HE LYS 107 2HE LYS 107 0.584 13.234 -10.143 833 2HE LYS 107 1HE LYS 107 0.743 13.032 -8.399 834 1HZ LYS 107 1HE LYS 107 2.518 11.953 -10.512 835 2HZ LYS 107 2HE LYS 107 2.593 11.449 -8.891 836 3HZ LYS 107 3HE LYS 107 2.913 13.068 -9.297 837 H ASP 108 HN ASP 108 -3.145 11.941 -6.806 838 HA ASP 108 HA ASP 108 -1.971 14.484 -6.178 839 1HB ASP 108 2HB ASP 108 -3.914 13.773 -7.841 840 2HB ASP 108 1HB ASP 108 -4.933 14.179 -6.459 841 H ASP 109 HN ASP 109 -4.325 12.444 -4.452 842 HA ASP 109 HA ASP 109 -4.389 14.479 -2.272 843 1HB ASP 109 2HB ASP 109 -6.305 12.492 -3.320 844 2HB ASP 109 1HB ASP 109 -6.234 12.582 -1.560 845 H VAL 110 HN VAL 110 -2.291 13.868 -1.373 846 HA VAL 110 HA VAL 110 -2.346 11.199 -0.022 847 HB VAL 110 HB VAL 110 0.156 12.757 -0.696 848 1HG1 VAL 110 1HG1 VAL 110 1.249 10.631 -0.292 849 2HG1 VAL 110 2HG1 VAL 110 -0.307 9.816 -0.130 850 3HG1 VAL 110 3HG1 VAL 110 0.206 10.989 1.083 851 1HG2 VAL 110 1HG2 VAL 110 -0.339 12.287 -2.866 852 2HG2 VAL 110 2HG2 VAL 110 -1.569 11.098 -2.432 853 3HG2 VAL 110 3HG2 VAL 110 0.135 10.644 -2.439 854 H ASP 111 HN ASP 111 -2.035 11.223 2.181 855 HA ASP 111 HA ASP 111 -1.507 13.891 3.433 856 1HB ASP 111 2HB ASP 111 -3.808 12.645 3.738 857 2HB ASP 111 1HB ASP 111 -2.901 11.662 4.889 858 H THR 112 HN THR 112 -0.866 10.419 3.566 859 HA THR 112 HA THR 112 1.640 11.006 5.048 860 HB THR 112 HB THR 112 -0.324 8.863 5.918 861 HG1 THR 112 HG1 THR 112 -0.606 10.224 7.713 862 1HG2 THR 112 1HG2 THR 112 1.236 8.760 7.895 863 2HG2 THR 112 2HG2 THR 112 2.338 9.811 7.006 864 3HG2 THR 112 3HG2 THR 112 1.952 8.207 6.381 865 H LEU 113 HN LEU 113 3.303 9.883 4.124 866 HA LEU 113 HA LEU 113 2.577 7.607 2.329 867 1HB LEU 113 2HB LEU 113 5.019 9.402 2.337 868 2HB LEU 113 1HB LEU 113 4.795 8.029 1.258 869 HG LEU 113 HG LEU 113 2.649 10.116 1.398 870 1HD1 LEU 113 1HD1 LEU 113 5.120 10.364 -0.339 871 2HD1 LEU 113 2HD1 LEU 113 4.878 11.285 1.146 872 3HD1 LEU 113 3HD1 LEU 113 3.781 11.505 -0.218 873 1HD2 LEU 113 1HD2 LEU 113 3.403 7.843 -0.250 874 2HD2 LEU 113 2HD2 LEU 113 3.228 9.296 -1.233 875 3HD2 LEU 113 3HD2 LEU 113 1.888 8.744 -0.229 876 H LEU 114 HN LEU 114 3.290 5.602 2.867 877 HA LEU 114 HA LEU 114 5.444 5.383 4.930 878 1HB LEU 114 2HB LEU 114 3.074 3.515 4.593 879 2HB LEU 114 1HB LEU 114 4.295 3.453 5.865 880 HG LEU 114 HG LEU 114 2.757 5.995 5.496 881 1HD1 LEU 114 1HD1 LEU 114 0.765 5.071 5.975 882 2HD1 LEU 114 2HD1 LEU 114 1.436 4.398 7.460 883 3HD1 LEU 114 3HD1 LEU 114 1.497 3.467 5.964 884 1HD2 LEU 114 1HD2 LEU 114 3.235 6.274 7.812 885 2HD2 LEU 114 2HD2 LEU 114 4.705 5.584 7.124 886 3HD2 LEU 114 3HD2 LEU 114 3.588 4.559 8.024 887 H VAL 115 HN VAL 115 7.074 4.971 3.446 888 HA VAL 115 HA VAL 115 6.648 2.621 1.643 889 HB VAL 115 HB VAL 115 7.035 4.795 0.495 890 1HG1 VAL 115 1HG1 VAL 115 8.494 5.829 2.185 891 2HG1 VAL 115 2HG1 VAL 115 9.304 5.786 0.619 892 3HG1 VAL 115 3HG1 VAL 115 9.737 4.618 1.867 893 1HG2 VAL 115 1HG2 VAL 115 9.256 2.745 0.233 894 2HG2 VAL 115 2HG2 VAL 115 8.853 3.964 -0.976 895 3HG2 VAL 115 3HG2 VAL 115 7.695 2.692 -0.587 896 H THR 116 HN THR 116 8.148 0.989 1.595 897 HA THR 116 HA THR 116 10.296 1.092 3.672 898 HB THR 116 HB THR 116 9.539 -1.495 2.399 899 HG1 THR 116 HG1 THR 116 7.705 -1.679 3.667 900 1HG2 THR 116 1HG2 THR 116 11.211 -1.526 4.113 901 2HG2 THR 116 2HG2 THR 116 9.743 -2.189 4.833 902 3HG2 THR 116 3HG2 THR 116 10.223 -0.528 5.181 903 H ARG 117 HN ARG 117 12.364 1.173 2.880 904 HA ARG 117 HA ARG 117 12.732 0.640 -0.029 905 1HB ARG 117 2HB ARG 117 14.256 2.309 1.969 906 2HB ARG 117 1HB ARG 117 14.954 1.870 0.410 907 1HG ARG 117 2HG ARG 117 12.291 2.786 -0.064 908 2HG ARG 117 1HG ARG 117 13.081 3.960 0.987 909 1HD ARG 117 2HD ARG 117 15.087 3.540 -0.763 910 2HD ARG 117 1HD ARG 117 13.714 3.200 -1.818 911 HE ARG 117 HE ARG 117 13.460 5.680 -0.279 912 1HH1 ARG 117 1HH2 ARG 117 14.579 4.154 -3.194 913 2HH1 ARG 117 2HH2 ARG 117 14.517 5.614 -4.119 914 1HH2 ARG 117 1HH1 ARG 117 13.394 7.571 -1.494 915 2HH2 ARG 117 2HH1 ARG 117 13.851 7.538 -3.164 916 H LEU 118 HN LEU 118 13.556 -1.321 -0.497 917 HA LEU 118 HA LEU 118 15.051 -2.843 1.532 918 1HB LEU 118 2HB LEU 118 14.272 -3.514 -1.326 919 2HB LEU 118 1HB LEU 118 15.081 -4.625 -0.224 920 HG LEU 118 HG LEU 118 13.121 -4.189 1.387 921 1HD1 LEU 118 1HD1 LEU 118 12.186 -2.842 -1.126 922 2HD1 LEU 118 2HD1 LEU 118 11.987 -2.333 0.551 923 3HD1 LEU 118 3HD1 LEU 118 11.009 -3.652 -0.093 924 1HD2 LEU 118 1HD2 LEU 118 12.167 -6.118 0.611 925 2HD2 LEU 118 2HD2 LEU 118 13.548 -6.116 -0.485 926 3HD2 LEU 118 3HD2 LEU 118 11.991 -5.491 -1.028 927 H ALA 119 HN ALA 119 17.248 -3.581 1.172 928 HA ALA 119 HA ALA 119 18.874 -1.590 -0.251 929 1HB ALA 119 1HB ALA 119 20.066 -2.104 1.622 930 2HB ALA 119 2HB ALA 119 20.663 -3.444 0.643 931 3HB ALA 119 3HB ALA 119 19.331 -3.699 1.770 932 H GLY 120 HN GLY 120 17.730 -4.849 -0.783 933 1HA GLY 120 2HA GLY 120 19.720 -5.520 -2.794 934 2HA GLY 120 1HA GLY 120 18.219 -6.396 -2.492 935 H SER 121 HN SER 121 18.911 -6.050 -5.102 936 HA SER 121 HA SER 121 17.047 -3.893 -6.015 937 1HB SER 121 2HB SER 121 19.720 -3.953 -6.556 938 2HB SER 121 1HB SER 121 19.091 -4.863 -7.926 939 HG SER 121 HG SER 121 18.091 -2.350 -7.058 940 H PHE 122 HN PHE 122 15.216 -4.861 -6.767 941 HA PHE 122 HA PHE 122 15.479 -7.519 -8.101 942 1HB PHE 122 2HB PHE 122 13.005 -6.230 -6.909 943 2HB PHE 122 1HB PHE 122 13.138 -7.877 -7.526 944 HD1 PHE 122 HD1 PHE 122 14.459 -9.576 -6.322 945 HD2 PHE 122 HD2 PHE 122 13.951 -5.605 -4.764 946 HE1 PHE 122 HE1 PHE 122 15.253 -10.346 -4.101 947 HE2 PHE 122 HE2 PHE 122 14.745 -6.374 -2.544 948 HZ PHE 122 HZ PHE 122 15.395 -8.744 -2.212 949 H GLU 123 HN GLU 123 13.974 -7.853 -9.968 950 HA GLU 123 HA GLU 123 13.522 -5.284 -11.438 951 1HB GLU 123 2HB GLU 123 14.838 -7.800 -12.238 952 2HB GLU 123 1HB GLU 123 13.681 -7.177 -13.415 953 1HG GLU 123 HG2 GLU 123 14.926 -5.301 -13.852 954 2HG GLU 123 HG1 GLU 123 15.525 -5.187 -12.197 955 H GLY 124 HN GLY 124 11.730 -5.392 -13.038 956 1HA GLY 124 2HA GLY 124 9.798 -7.496 -13.084 957 2HA GLY 124 1HA GLY 124 9.291 -6.282 -11.906 958 H ASP 125 HN ASP 125 7.465 -5.623 -13.280 959 HA ASP 125 HA ASP 125 8.347 -3.885 -15.525 960 1HB ASP 125 2HB ASP 125 7.201 -6.250 -16.078 961 2HB ASP 125 1HB ASP 125 5.738 -5.311 -15.777 962 H THR 126 HN THR 126 6.534 -4.363 -12.693 963 HA THR 126 HA THR 126 4.943 -1.881 -13.199 964 HB THR 126 HB THR 126 4.345 -3.852 -10.998 965 HG1 THR 126 HG1 THR 126 3.991 -5.207 -12.574 966 1HG2 THR 126 1HG2 THR 126 3.243 -1.666 -10.923 967 2HG2 THR 126 2HG2 THR 126 2.067 -2.925 -11.301 968 3HG2 THR 126 3HG2 THR 126 2.679 -1.878 -12.581 969 H LYS 127 HN LYS 127 5.692 -0.146 -12.117 970 HA LYS 127 HA LYS 127 7.170 -0.610 -9.556 971 1HB LYS 127 2HB LYS 127 7.779 1.499 -11.650 972 2HB LYS 127 1HB LYS 127 8.650 1.255 -10.136 973 1HG LYS 127 2HG LYS 127 9.979 -0.225 -11.186 974 2HG LYS 127 1HG LYS 127 8.578 -1.271 -11.409 975 1HD LYS 127 2HD LYS 127 8.499 -0.824 -13.618 976 2HD LYS 127 1HD LYS 127 8.565 0.914 -13.331 977 1HE LYS 127 2HE LYS 127 10.975 0.870 -13.185 978 2HE LYS 127 1HE LYS 127 10.995 -0.892 -13.216 979 1HZ LYS 127 1HE LYS 127 10.958 -0.864 -15.417 980 2HZ LYS 127 2HE LYS 127 11.110 0.827 -15.380 981 3HZ LYS 127 3HE LYS 127 9.571 0.111 -15.448 982 H MET 128 HN MET 128 7.155 1.348 -8.138 983 HA MET 128 HA MET 128 4.495 2.303 -7.730 984 1HB MET 128 2HB MET 128 6.642 2.178 -6.150 985 2HB MET 128 1HB MET 128 6.814 3.856 -6.666 986 1HG MET 128 2HG MET 128 4.063 3.108 -5.924 987 2HG MET 128 1HG MET 128 5.215 3.017 -4.594 988 1HE MET 128 1HE MET 128 2.949 4.545 -4.375 989 2HE MET 128 2HE MET 128 3.149 6.293 -4.282 990 3HE MET 128 3HE MET 128 4.068 5.250 -3.200 991 H ILE 129 HN ILE 129 3.696 4.491 -7.948 992 HA ILE 129 HA ILE 129 4.453 5.740 -10.454 993 HB ILE 129 HB ILE 129 2.735 7.445 -9.777 994 1HG1 ILE 129 2HG1 ILE 129 1.706 5.930 -7.524 995 2HG1 ILE 129 1HG1 ILE 129 3.350 6.477 -7.198 996 1HG2 ILE 129 1HG2 ILE 129 2.102 4.495 -9.634 997 2HG2 ILE 129 2HG2 ILE 129 1.904 5.587 -11.004 998 3HG2 ILE 129 3HG2 ILE 129 0.837 5.722 -9.607 999 1HD1 ILE 129 1HD1 ILE 129 2.331 8.421 -6.592 1000 2HD1 ILE 129 2HD1 ILE 129 0.869 8.050 -7.501 1001 3HD1 ILE 129 3HD1 ILE 129 2.273 8.720 -8.328 1002 HA PRO 130 HA PRO 130 7.307 8.844 -9.123 1003 1HB PRO 130 2HB PRO 130 6.139 11.058 -10.483 1004 2HB PRO 130 1HB PRO 130 7.447 10.014 -11.051 1005 1HG PRO 130 2HG PRO 130 4.808 10.169 -12.061 1006 2HG PRO 130 1HG PRO 130 6.077 9.031 -12.532 1007 1HD PRO 130 2HD PRO 130 3.717 8.572 -10.881 1008 2HD PRO 130 1HD PRO 130 4.807 7.392 -11.624 1009 H LEU 131 HN LEU 131 6.926 9.199 -6.918 1010 HA LEU 131 HA LEU 131 4.672 10.935 -6.116 1011 1HB LEU 131 2HB LEU 131 6.572 9.107 -4.724 1012 2HB LEU 131 1HB LEU 131 5.955 10.474 -3.796 1013 HG LEU 131 HG LEU 131 4.234 8.480 -5.300 1014 1HD1 LEU 131 1HD1 LEU 131 5.287 7.432 -3.362 1015 2HD1 LEU 131 2HD1 LEU 131 3.585 7.732 -3.009 1016 3HD1 LEU 131 3HD1 LEU 131 4.824 8.794 -2.341 1017 1HD2 LEU 131 1HD2 LEU 131 2.535 9.926 -4.967 1018 2HD2 LEU 131 2HD2 LEU 131 3.701 11.110 -4.378 1019 3HD2 LEU 131 3HD2 LEU 131 2.906 10.017 -3.245 1020 H ASN 132 HN ASN 132 5.065 12.873 -4.814 1021 HA ASN 132 HA ASN 132 7.507 14.282 -5.729 1022 1HB ASN 132 2HB ASN 132 4.903 15.083 -5.654 1023 2HB ASN 132 1HB ASN 132 5.493 15.750 -4.132 1024 1HD2 ASN 132 1HD2 ASN 132 7.301 17.311 -4.244 1025 2HD2 ASN 132 2HD2 ASN 132 7.648 18.122 -5.694 1026 H TRP 133 HN TRP 133 8.661 12.792 -4.061 1027 HA TRP 133 HA TRP 133 8.399 13.007 -1.281 1028 1HB TRP 133 2HB TRP 133 11.035 12.953 -2.782 1029 2HB TRP 133 1HB TRP 133 10.755 12.412 -1.127 1030 HD1 TRP 133 HD1 TRP 133 10.367 11.361 -4.730 1031 HE1 TRP 133 HE1 TRP 133 9.530 8.926 -4.826 1032 HE3 TRP 133 HE3 TRP 133 9.276 10.608 0.200 1033 HZ2 TRP 133 HZ2 TRP 133 8.534 6.923 -3.048 1034 HZ3 TRP 133 HZ3 TRP 133 8.387 8.428 0.971 1035 HH2 TRP 133 HH2 TRP 133 8.015 6.586 -0.645 1036 H ASP 134 HN ASP 134 9.612 15.386 -3.537 1037 HA ASP 134 HA ASP 134 11.042 17.041 -1.695 1038 1HB ASP 134 2HB ASP 134 10.438 17.107 -4.424 1039 2HB ASP 134 1HB ASP 134 9.665 18.552 -3.773 1040 H ASP 135 HN ASP 135 7.617 16.639 -2.307 1041 HA ASP 135 HA ASP 135 6.961 19.077 -0.758 1042 1HB ASP 135 2HB ASP 135 5.728 18.291 -2.889 1043 2HB ASP 135 1HB ASP 135 4.983 17.077 -1.849 1044 H PHE 136 HN PHE 136 7.681 15.876 -0.066 1045 HA PHE 136 HA PHE 136 5.975 15.955 2.394 1046 1HB PHE 136 2HB PHE 136 7.033 13.564 0.856 1047 2HB PHE 136 1HB PHE 136 6.202 13.460 2.408 1048 HD1 PHE 136 HD1 PHE 136 5.739 15.057 -0.962 1049 HD2 PHE 136 HD2 PHE 136 3.904 13.085 2.382 1050 HE1 PHE 136 HE1 PHE 136 3.558 15.096 -2.137 1051 HE2 PHE 136 HE2 PHE 136 1.722 13.125 1.207 1052 HZ PHE 136 HZ PHE 136 1.549 14.130 -1.053 1053 H THR 137 HN THR 137 7.023 14.890 4.307 1054 HA THR 137 HA THR 137 10.004 14.975 4.190 1055 HB THR 137 HB THR 137 8.465 16.102 6.529 1056 HG1 THR 137 HG1 THR 137 7.859 17.379 4.842 1057 1HG2 THR 137 1HG2 THR 137 11.224 15.643 5.871 1058 2HG2 THR 137 2HG2 THR 137 10.542 16.298 7.360 1059 3HG2 THR 137 3HG2 THR 137 10.950 17.378 6.028 1060 H LYS 138 HN LYS 138 10.922 13.221 5.217 1061 HA LYS 138 HA LYS 138 9.210 11.166 6.315 1062 1HB LYS 138 2HB LYS 138 11.349 10.705 5.112 1063 2HB LYS 138 1HB LYS 138 12.228 11.426 6.459 1064 1HG LYS 138 2HG LYS 138 10.279 9.376 7.276 1065 2HG LYS 138 1HG LYS 138 11.581 8.758 6.259 1066 1HD LYS 138 2HD LYS 138 12.070 10.508 8.680 1067 2HD LYS 138 1HD LYS 138 12.075 8.746 8.748 1068 1HE LYS 138 2HE LYS 138 13.967 8.574 7.354 1069 2HE LYS 138 1HE LYS 138 13.772 10.214 6.737 1070 1HZ LYS 138 1HE LYS 138 14.390 11.098 8.856 1071 2HZ LYS 138 2HE LYS 138 15.582 9.987 8.375 1072 3HZ LYS 138 3HE LYS 138 14.437 9.552 9.552 1073 H VAL 139 HN VAL 139 8.432 11.133 8.366 1074 HA VAL 139 HA VAL 139 9.736 12.852 10.407 1075 HB VAL 139 HB VAL 139 7.641 12.413 11.712 1076 1HG1 VAL 139 1HG1 VAL 139 8.054 14.122 9.598 1077 2HG1 VAL 139 2HG1 VAL 139 6.645 14.160 10.656 1078 3HG1 VAL 139 3HG1 VAL 139 6.568 13.305 9.116 1079 1HG2 VAL 139 1HG2 VAL 139 6.001 10.985 10.969 1080 2HG2 VAL 139 2HG2 VAL 139 7.369 10.208 10.171 1081 3HG2 VAL 139 3HG2 VAL 139 6.337 11.320 9.270 1082 H SER 140 HN SER 140 9.257 9.483 9.612 1083 HA SER 140 HA SER 140 10.841 8.771 12.022 1084 1HB SER 140 2HB SER 140 9.129 6.716 12.112 1085 2HB SER 140 1HB SER 140 8.834 8.209 12.999 1086 HG SER 140 HG SER 140 7.413 7.108 11.014 1087 H SER 141 HN SER 141 12.250 7.095 11.638 1088 HA SER 141 HA SER 141 11.839 5.315 9.334 1089 1HB SER 141 2HB SER 141 12.961 7.093 8.200 1090 2HB SER 141 1HB SER 141 14.121 7.288 9.507 1091 HG SER 141 HG SER 141 14.474 5.869 7.406 1092 H ARG 142 HN ARG 142 12.774 3.317 9.694 1093 HA ARG 142 HA ARG 142 14.796 3.089 11.875 1094 1HB ARG 142 2HB ARG 142 12.465 2.501 12.691 1095 2HB ARG 142 1HB ARG 142 12.461 1.187 11.515 1096 1HG ARG 142 2HG ARG 142 13.225 0.144 13.483 1097 2HG ARG 142 1HG ARG 142 14.715 0.496 12.606 1098 1HD ARG 142 2HD ARG 142 13.646 2.570 14.482 1099 2HD ARG 142 1HD ARG 142 14.461 1.162 15.163 1100 HE ARG 142 HE ARG 142 15.749 3.344 13.770 1101 1HH1 ARG 142 1HH2 ARG 142 15.815 -0.081 14.328 1102 2HH1 ARG 142 2HH2 ARG 142 17.515 -0.215 14.034 1103 1HH2 ARG 142 1HH1 ARG 142 17.958 3.159 13.390 1104 2HH2 ARG 142 2HH1 ARG 142 18.723 1.609 13.505 1105 H THR 143 HN THR 143 16.452 1.622 11.337 1106 HA THR 143 HA THR 143 16.146 0.267 8.693 1107 HB THR 143 HB THR 143 18.773 0.688 10.099 1108 HG1 THR 143 HG1 THR 143 17.633 2.548 8.309 1109 1HG2 THR 143 1HG2 THR 143 19.250 -0.518 8.216 1110 2HG2 THR 143 2HG2 THR 143 19.191 1.072 7.456 1111 3HG2 THR 143 3HG2 THR 143 17.787 0.008 7.384 1112 H VAL 144 HN VAL 144 16.163 -1.939 8.639 1113 HA VAL 144 HA VAL 144 17.204 -3.376 11.041 1114 HB VAL 144 HB VAL 144 14.730 -3.350 11.085 1115 1HG1 VAL 144 1HG1 VAL 144 13.427 -3.857 9.279 1116 2HG1 VAL 144 2HG1 VAL 144 14.532 -5.104 8.703 1117 3HG1 VAL 144 3HG1 VAL 144 14.870 -3.406 8.371 1118 1HG2 VAL 144 1HG2 VAL 144 15.598 -6.115 10.240 1119 2HG2 VAL 144 2HG2 VAL 144 14.466 -5.659 11.514 1120 3HG2 VAL 144 3HG2 VAL 144 16.195 -5.393 11.735 1121 H GLU 145 HN GLU 145 18.608 -4.992 10.551 1122 HA GLU 145 HA GLU 145 19.183 -5.539 7.712 1123 1HB GLU 145 2HB GLU 145 20.539 -6.374 10.291 1124 2HB GLU 145 1HB GLU 145 21.093 -6.874 8.693 1125 1HG GLU 145 HG2 GLU 145 20.636 -4.008 8.767 1126 2HG GLU 145 HG1 GLU 145 21.759 -4.494 10.037 1127 H ASP 146 HN ASP 146 19.457 -7.823 7.001 1128 HA ASP 146 HA ASP 146 17.782 -9.764 8.517 1129 1HB ASP 146 2HB ASP 146 16.818 -8.440 6.289 1130 2HB ASP 146 1HB ASP 146 17.445 -9.938 5.601 1131 H THR 147 HN THR 147 18.270 -12.010 7.953 1132 HA THR 147 HA THR 147 21.022 -12.578 7.619 1133 HB THR 147 HB THR 147 20.244 -14.926 7.142 1134 HG1 THR 147 HG1 THR 147 17.663 -13.830 7.498 1135 1HG2 THR 147 1HG2 THR 147 19.515 -15.294 9.347 1136 2HG2 THR 147 2HG2 THR 147 18.645 -13.761 9.411 1137 3HG2 THR 147 3HG2 THR 147 20.407 -13.777 9.465 1138 H ASN 148 HN ASN 148 18.660 -11.774 5.256 1139 HA ASN 148 HA ASN 148 20.409 -12.824 3.077 1140 1HB ASN 148 2HB ASN 148 17.893 -13.364 3.149 1141 2HB ASN 148 1HB ASN 148 17.648 -11.678 2.705 1142 1HD2 ASN 148 1HD2 ASN 148 18.568 -14.808 1.491 1143 2HD2 ASN 148 2HD2 ASN 148 18.880 -14.322 -0.105 1144 HA PRO 149 HA PRO 149 22.176 -8.766 2.594 1145 1HB PRO 149 2HB PRO 149 22.590 -9.320 -0.213 1146 2HB PRO 149 1HB PRO 149 23.787 -9.246 1.087 1147 1HG PRO 149 2HG PRO 149 22.690 -11.565 -0.220 1148 2HG PRO 149 1HG PRO 149 23.984 -11.479 0.983 1149 1HD PRO 149 2HD PRO 149 21.424 -12.533 1.394 1150 2HD PRO 149 1HD PRO 149 22.594 -12.113 2.655 1151 H ALA 150 HN ALA 150 20.011 -10.000 0.025 1152 HA ALA 150 HA ALA 150 19.290 -7.298 -0.805 1153 1HB ALA 150 1HB ALA 150 17.454 -9.377 -1.689 1154 2HB ALA 150 2HB ALA 150 19.135 -9.844 -1.946 1155 3HB ALA 150 3HB ALA 150 18.520 -8.346 -2.644 1156 H LEU 151 HN LEU 151 17.922 -9.689 1.402 1157 HA LEU 151 HA LEU 151 15.306 -8.448 1.501 1158 1HB LEU 151 2HB LEU 151 16.671 -10.309 3.462 1159 2HB LEU 151 1HB LEU 151 14.973 -9.842 3.530 1160 HG LEU 151 HG LEU 151 16.328 -11.311 1.246 1161 1HD1 LEU 151 1HD1 LEU 151 14.247 -12.859 2.110 1162 2HD1 LEU 151 2HD1 LEU 151 14.774 -12.128 3.626 1163 3HD1 LEU 151 3HD1 LEU 151 15.913 -13.056 2.651 1164 1HD2 LEU 151 1HD2 LEU 151 14.672 -10.329 0.028 1165 2HD2 LEU 151 2HD2 LEU 151 13.781 -9.834 1.467 1166 3HD2 LEU 151 3HD2 LEU 151 13.610 -11.476 0.845 1167 H THR 152 HN THR 152 18.254 -7.289 2.579 1168 HA THR 152 HA THR 152 17.527 -6.199 5.147 1169 HB THR 152 HB THR 152 19.475 -5.099 3.087 1170 HG1 THR 152 HG1 THR 152 20.967 -6.352 4.099 1171 1HG2 THR 152 1HG2 THR 152 20.141 -3.576 4.635 1172 2HG2 THR 152 2HG2 THR 152 19.969 -4.718 5.967 1173 3HG2 THR 152 3HG2 THR 152 18.557 -3.859 5.354 1174 H HIS 153 HN HIS 153 16.563 -4.110 5.600 1175 HA HIS 153 HA HIS 153 15.905 -2.321 3.396 1176 1HB HIS 153 2HB HIS 153 13.426 -2.617 3.586 1177 2HB HIS 153 1HB HIS 153 14.253 -4.021 2.912 1178 HD1 HIS 153 HD1 HIS 153 14.971 -5.860 4.900 1179 HD2 HIS 153 HD2 HIS 153 11.763 -3.312 5.674 1180 HE1 HIS 153 HE1 HIS 153 13.655 -6.919 6.788 1181 H THR 154 HN THR 154 14.403 -0.557 4.125 1182 HA THR 154 HA THR 154 14.529 -0.103 7.073 1183 HB THR 154 HB THR 154 15.051 2.042 4.998 1184 HG1 THR 154 HG1 THR 154 17.090 1.519 5.026 1185 1HG2 THR 154 1HG2 THR 154 15.768 3.360 6.848 1186 2HG2 THR 154 2HG2 THR 154 15.799 1.962 7.921 1187 3HG2 THR 154 3HG2 THR 154 14.259 2.606 7.359 1188 H TYR 155 HN TYR 155 12.828 1.379 7.825 1189 HA TYR 155 HA TYR 155 10.502 1.436 5.951 1190 1HB TYR 155 2HB TYR 155 10.477 1.787 8.963 1191 2HB TYR 155 1HB TYR 155 9.087 1.528 7.911 1192 HD1 TYR 155 HD1 TYR 155 8.712 -0.672 6.833 1193 HD2 TYR 155 HD2 TYR 155 11.911 -0.037 9.628 1194 HE1 TYR 155 HE1 TYR 155 8.974 -3.125 7.091 1195 HE2 TYR 155 HE2 TYR 155 12.173 -2.489 9.886 1196 HH TYR 155 HH TYR 155 11.232 -4.657 7.896 1197 H GLU 156 HN GLU 156 9.981 3.438 5.139 1198 HA GLU 156 HA GLU 156 10.930 5.817 6.686 1199 1HB GLU 156 2HB GLU 156 10.608 5.416 3.698 1200 2HB GLU 156 1HB GLU 156 10.923 6.980 4.448 1201 1HG GLU 156 HG2 GLU 156 12.806 5.174 5.554 1202 2HG GLU 156 HG1 GLU 156 12.794 4.881 3.815 1203 H VAL 157 HN VAL 157 9.323 7.069 7.469 1204 HA VAL 157 HA VAL 157 6.618 6.850 6.205 1205 HB VAL 157 HB VAL 157 7.352 7.604 9.054 1206 1HG1 VAL 157 1HG1 VAL 157 4.712 7.043 9.114 1207 2HG1 VAL 157 2HG1 VAL 157 4.832 7.672 7.471 1208 3HG1 VAL 157 3HG1 VAL 157 5.331 8.671 8.836 1209 1HG2 VAL 157 1HG2 VAL 157 5.747 5.332 9.076 1210 2HG2 VAL 157 2HG2 VAL 157 7.493 5.359 9.320 1211 3HG2 VAL 157 3HG2 VAL 157 6.831 5.051 7.714 1212 H TRP 158 HN TRP 158 5.896 8.703 5.231 1213 HA TRP 158 HA TRP 158 7.269 11.259 5.969 1214 1HB TRP 158 2HB TRP 158 5.996 10.525 3.320 1215 2HB TRP 158 1HB TRP 158 6.832 12.028 3.686 1216 HD1 TRP 158 HD1 TRP 158 7.644 8.238 3.821 1217 HE1 TRP 158 HE1 TRP 158 10.080 7.927 3.036 1218 HE3 TRP 158 HE3 TRP 158 8.947 13.109 3.028 1219 HZ2 TRP 158 HZ2 TRP 158 12.291 9.533 2.188 1220 HZ3 TRP 158 HZ3 TRP 158 11.220 13.691 2.232 1221 HH2 TRP 158 HH2 TRP 158 12.892 11.911 1.811 1222 H GLN 159 HN GLN 159 5.903 13.204 5.612 1223 HA GLN 159 HA GLN 159 2.976 12.718 5.862 1224 1HB GLN 159 2HB GLN 159 4.760 14.239 7.768 1225 2HB GLN 159 1HB GLN 159 3.059 14.672 7.592 1226 1HG GLN 159 2HG GLN 159 2.573 12.165 7.972 1227 2HG GLN 159 1HG GLN 159 4.235 12.065 8.555 1228 1HE2 GLN 159 1HE2 GLN 159 4.785 13.271 10.528 1229 2HE2 GLN 159 2HE2 GLN 159 3.570 13.830 11.574 1230 H LYS 160 HN LYS 160 1.752 14.426 4.807 1231 HA LYS 160 HA LYS 160 3.398 16.129 3.070 1232 1HB LYS 160 2HB LYS 160 1.252 14.824 2.411 1233 2HB LYS 160 1HB LYS 160 0.387 16.134 3.215 1234 1HG LYS 160 2HG LYS 160 1.934 17.674 1.746 1235 2HG LYS 160 1HG LYS 160 2.093 16.229 0.747 1236 1HD LYS 160 2HD LYS 160 -0.533 16.145 0.973 1237 2HD LYS 160 1HD LYS 160 -0.354 17.863 1.334 1238 1HE LYS 160 2HE LYS 160 1.261 17.676 -0.833 1239 2HE LYS 160 1HE LYS 160 0.095 16.409 -1.214 1240 1HZ LYS 160 1HE LYS 160 -1.692 17.989 -0.893 1241 2HZ LYS 160 2HE LYS 160 -0.604 18.567 -2.063 1242 3HZ LYS 160 3HE LYS 160 -0.583 19.209 -0.490 1243 H LYS 161 HN LYS 161 3.630 18.317 3.314 1244 HA LYS 161 HA LYS 161 2.876 19.515 5.851 1245 1HB LYS 161 2HB LYS 161 4.003 20.849 3.371 1246 2HB LYS 161 1HB LYS 161 4.005 21.506 5.008 1247 1HG LYS 161 2HG LYS 161 5.197 18.807 4.720 1248 2HG LYS 161 1HG LYS 161 6.091 20.119 3.950 1249 1HD LYS 161 2HD LYS 161 5.088 20.357 6.787 1250 2HD LYS 161 1HD LYS 161 6.641 19.604 6.421 1251 1HE LYS 161 2HE LYS 161 5.919 22.331 5.346 1252 2HE LYS 161 1HE LYS 161 6.658 22.131 6.935 1253 1HZ LYS 161 1HE LYS 161 7.798 21.020 4.432 1254 2HZ LYS 161 2HE LYS 161 8.533 21.070 5.963 1255 3HZ LYS 161 3HE LYS 161 8.263 22.508 5.099 1256 H ALA 162 HN ALA 162 1.517 21.402 6.080 1257 HA ALA 162 HA ALA 162 -0.511 21.709 3.899 1258 1HB ALA 162 1HB ALA 162 -1.353 22.132 6.727 1259 2HB ALA 162 2HB ALA 162 -1.100 20.466 6.207 1260 3HB ALA 162 3HB ALA 162 -2.269 21.484 5.366 1261 AH51 NDP 168 AH51 NDP 168 -5.342 -1.671 -9.859 1262 AH52 NDP 168 AH52 NDP 168 -5.647 -2.948 -8.669 1263 AH4* NDP 168 AH4* NDP 168 -7.398 -3.889 -10.207 1264 AH3* NDP 168 AH3* NDP 168 -6.806 -1.439 -11.890 1265 AHO3 NDP 168 AHO3 NDP 168 -7.438 -4.184 -12.403 1266 AH2* NDP 168 AH2* NDP 168 -9.142 -1.376 -12.395 1267 AH1* NDP 168 AH1* NDP 168 -10.002 -1.893 -9.805 1268 AH8 NDP 168 AH8 NDP 168 -6.971 0.424 -10.297 1269 AH61 NDP 168 AH61 NDP 168 -11.148 4.968 -9.668 1270 AH62 NDP 168 AH62 NDP 168 -9.445 4.585 -9.647 1271 AH2 NDP 168 AH2 NDP 168 -13.347 1.062 -9.696 1272 NH51 NDP 168 NH51 NDP 168 -1.200 -4.763 -9.499 1273 NH52 NDP 168 NH52 NDP 168 -1.075 -3.832 -8.002 1274 NH4* NDP 168 NH4* NDP 168 1.187 -5.335 -9.406 1275 NH3* NDP 168 NH3* NDP 168 -0.309 -5.955 -6.846 1276 NHO3 NDP 168 NHO3 NDP 168 -0.932 -7.259 -8.530 1277 NH2* NDP 168 NH2* NDP 168 1.740 -6.916 -6.043 1278 NHO2 NDP 168 NHO2 NDP 168 2.838 -8.007 -7.463 1279 NH1* NDP 168 NH1* NDP 168 3.380 -4.887 -7.026 1280 NH2 NDP 168 NH2 NDP 168 3.985 -3.631 -5.092 1281 NH71 NDP 168 NH71 NDP 168 5.400 -3.020 -4.392 1282 NH72 NDP 168 NH72 NDP 168 5.957 -2.311 -2.896 1283 NH41 NDP 168 NH41 NDP 168 0.976 -2.465 -2.764 1284 NH42 NDP 168 NH42 NDP 168 1.484 -4.019 -2.018 1285 NH5 NDP 168 NH5 NDP 168 -0.619 -4.287 -3.315 1286 NH6 NDP 168 NH6 NDP 168 -0.037 -5.260 -5.591 1287 H1 TRR 170 H1 TRR 170 4.637 -5.131 1.828 1288 1H2 TRR 170 1H2 TRR 170 5.639 -3.105 2.578 1289 2H2 TRR 170 2H2 TRR 170 4.810 -1.621 2.376 1290 1H4 TRR 170 1H4 TRR 170 -0.233 -3.017 -0.231 1291 2H4 TRR 170 2H4 TRR 170 0.475 -1.563 0.300 1292 H6 TRR 170 H6 TRR 170 2.861 -6.401 0.806 1293 1H7 TRR 170 1H7 TRR 170 0.371 -4.931 -1.168 1294 2H7 TRR 170 2H7 TRR 170 -0.371 -5.161 0.415 1295 H12 TRR 170 H12 TRR 170 1.455 -6.726 -2.308 1296 H16 TRR 170 H16 TRR 170 0.028 -7.222 1.734 1297 1H17 TRR 170 1H17 TRR 170 2.760 -7.615 -3.507 1298 2H17 TRR 170 2H17 TRR 170 1.286 -8.124 -4.316 1299 3H17 TRR 170 3H17 TRR 170 2.783 -9.007 -4.580 1300 1H18 TRR 170 1H18 TRR 170 2.988 -10.919 0.550 1301 2H18 TRR 170 2H18 TRR 170 3.205 -11.443 -1.114 1302 3H18 TRR 170 3H18 TRR 170 2.453 -12.519 0.055 1303 1H19 TRR 170 1H19 TRR 170 -0.095 -10.034 3.794 1304 2H19 TRR 170 2H19 TRR 170 -1.242 -9.070 2.879 1305 3H19 TRR 170 3H19 TRR 170 0.355 -8.430 3.235 Start of MODEL 13 1 1H THR 1 1H THR 1 -5.072 11.527 2.510 2 2H THR 1 2H THR 1 -5.565 10.757 3.943 3 3H THR 1 3H THR 1 -6.677 11.005 2.683 4 HA THR 1 HA THR 1 -5.862 8.689 2.836 5 HB THR 1 HB THR 1 -4.987 10.082 0.298 6 HG1 THR 1 HG1 THR 1 -6.983 10.873 0.740 7 1HG2 THR 1 1HG2 THR 1 -5.382 7.335 1.124 8 2HG2 THR 1 2HG2 THR 1 -4.732 7.958 -0.393 9 3HG2 THR 1 3HG2 THR 1 -6.471 7.747 -0.201 10 H ALA 2 HN ALA 2 -4.067 7.287 2.826 11 HA ALA 2 HA ALA 2 -1.404 8.645 2.745 12 1HB ALA 2 1HB ALA 2 -2.486 6.573 4.654 13 2HB ALA 2 2HB ALA 2 -1.757 8.133 5.031 14 3HB ALA 2 3HB ALA 2 -0.751 6.812 4.437 15 H PHE 3 HN PHE 3 0.343 7.343 1.960 16 HA PHE 3 HA PHE 3 -0.549 5.094 0.202 17 1HB PHE 3 2HB PHE 3 1.653 7.119 0.058 18 2HB PHE 3 1HB PHE 3 1.949 5.531 -0.636 19 HD1 PHE 3 HD1 PHE 3 -1.518 6.635 -0.649 20 HD2 PHE 3 HD2 PHE 3 2.180 6.728 -2.829 21 HE1 PHE 3 HE1 PHE 3 -2.736 7.306 -2.700 22 HE2 PHE 3 HE2 PHE 3 0.957 7.392 -4.877 23 HZ PHE 3 HZ PHE 3 -1.502 7.684 -4.809 24 H LEU 4 HN LEU 4 0.132 3.025 0.776 25 HA LEU 4 HA LEU 4 2.450 2.848 2.650 26 1HB LEU 4 2HB LEU 4 0.461 2.499 3.988 27 2HB LEU 4 1HB LEU 4 -0.199 1.379 2.798 28 HG LEU 4 HG LEU 4 1.710 -0.159 3.218 29 1HD1 LEU 4 1HD1 LEU 4 3.066 0.325 5.312 30 2HD1 LEU 4 2HD1 LEU 4 2.419 1.964 5.258 31 3HD1 LEU 4 3HD1 LEU 4 3.421 1.368 3.935 32 1HD2 LEU 4 1HD2 LEU 4 0.666 -1.117 5.027 33 2HD2 LEU 4 2HD2 LEU 4 -0.542 0.118 4.673 34 3HD2 LEU 4 3HD2 LEU 4 0.648 0.389 5.944 35 H TRP 5 HN TRP 5 3.874 2.170 0.992 36 HA TRP 5 HA TRP 5 3.257 -0.542 -0.065 37 1HB TRP 5 2HB TRP 5 3.963 0.018 -2.273 38 2HB TRP 5 1HB TRP 5 2.830 1.271 -1.788 39 HD1 TRP 5 HD1 TRP 5 6.275 0.751 -3.039 40 HE1 TRP 5 HE1 TRP 5 7.553 2.988 -3.100 41 HE3 TRP 5 HE3 TRP 5 3.102 3.660 -0.286 42 HZ2 TRP 5 HZ2 TRP 5 7.266 5.660 -2.122 43 HZ3 TRP 5 HZ3 TRP 5 3.634 6.045 0.132 44 HH2 TRP 5 HH2 TRP 5 5.705 7.046 -0.780 45 H ALA 6 HN ALA 6 5.348 -1.423 -1.157 46 HA ALA 6 HA ALA 6 7.738 -0.653 0.455 47 1HB ALA 6 1HB ALA 6 8.288 -3.140 0.488 48 2HB ALA 6 2HB ALA 6 6.640 -3.432 -0.067 49 3HB ALA 6 3HB ALA 6 6.921 -2.669 1.498 50 H GLN 7 HN GLN 7 9.551 -0.446 -0.825 51 HA GLN 7 HA GLN 7 9.483 -1.694 -3.523 52 1HB GLN 7 2HB GLN 7 10.315 0.471 -4.490 53 2HB GLN 7 1HB GLN 7 8.657 0.546 -3.899 54 1HG GLN 7 2HG GLN 7 9.231 2.236 -2.530 55 2HG GLN 7 1HG GLN 7 10.360 1.166 -1.701 56 1HE2 GLN 7 1HE2 GLN 7 12.582 1.545 -2.018 57 2HE2 GLN 7 2HE2 GLN 7 13.207 2.670 -3.124 58 H ASP 8 HN ASP 8 11.583 -1.948 -4.488 59 HA ASP 8 HA ASP 8 13.688 -2.295 -2.475 60 1HB ASP 8 2HB ASP 8 14.951 -3.351 -4.294 61 2HB ASP 8 1HB ASP 8 13.310 -3.994 -4.244 62 H ARG 9 HN ARG 9 16.000 -1.734 -3.882 63 HA ARG 9 HA ARG 9 16.317 1.050 -3.435 64 1HB ARG 9 2HB ARG 9 18.464 0.799 -4.708 65 2HB ARG 9 1HB ARG 9 18.254 -0.390 -3.426 66 1HG ARG 9 2HG ARG 9 18.746 -1.912 -5.035 67 2HG ARG 9 1HG ARG 9 17.081 -1.665 -5.556 68 1HD ARG 9 2HD ARG 9 17.833 -0.871 -7.518 69 2HD ARG 9 1HD ARG 9 18.622 0.454 -6.668 70 HE ARG 9 HE ARG 9 19.916 -2.017 -7.620 71 1HH1 ARG 9 1HH1 ARG 9 20.086 0.838 -5.641 72 2HH1 ARG 9 2HH1 ARG 9 21.811 0.813 -5.557 73 1HH2 ARG 9 1HH2 ARG 9 22.156 -2.031 -7.495 74 2HH2 ARG 9 2HH2 ARG 9 22.977 -0.797 -6.598 75 H ASP 10 HN ASP 10 15.743 -0.707 -6.514 76 HA ASP 10 HA ASP 10 15.860 1.674 -8.137 77 1HB ASP 10 2HB ASP 10 14.822 -1.122 -8.527 78 2HB ASP 10 1HB ASP 10 14.464 0.123 -9.725 79 H GLY 11 HN GLY 11 13.285 0.024 -6.394 80 1HA GLY 11 2HA GLY 11 11.419 1.440 -5.563 81 2HA GLY 11 1HA GLY 11 11.490 2.316 -7.088 82 H LEU 12 HN LEU 12 11.557 -1.216 -6.636 83 HA LEU 12 HA LEU 12 9.357 -1.485 -8.579 84 1HB LEU 12 2HB LEU 12 11.446 -3.010 -8.370 85 2HB LEU 12 1HB LEU 12 10.611 -3.726 -6.994 86 HG LEU 12 HG LEU 12 8.613 -4.054 -8.540 87 1HD1 LEU 12 1HD1 LEU 12 10.036 -2.432 -10.226 88 2HD1 LEU 12 2HD1 LEU 12 8.738 -3.508 -10.742 89 3HD1 LEU 12 3HD1 LEU 12 10.418 -4.028 -10.873 90 1HD2 LEU 12 1HD2 LEU 12 11.036 -5.533 -9.540 91 2HD2 LEU 12 2HD2 LEU 12 9.413 -6.152 -9.236 92 3HD2 LEU 12 3HD2 LEU 12 10.476 -5.757 -7.884 93 H ILE 13 HN ILE 13 7.376 -2.797 -7.984 94 HA ILE 13 HA ILE 13 6.811 -2.737 -5.059 95 HB ILE 13 HB ILE 13 4.461 -1.990 -5.641 96 1HG1 ILE 13 2HG1 ILE 13 5.053 -0.527 -7.992 97 2HG1 ILE 13 1HG1 ILE 13 5.587 -2.179 -8.299 98 1HG2 ILE 13 1HG2 ILE 13 6.582 -0.577 -4.889 99 2HG2 ILE 13 2HG2 ILE 13 5.053 0.207 -5.289 100 3HG2 ILE 13 3HG2 ILE 13 6.357 0.160 -6.476 101 1HD1 ILE 13 1HD1 ILE 13 2.945 -1.219 -8.402 102 2HD1 ILE 13 2HD1 ILE 13 3.031 -2.180 -6.926 103 3HD1 ILE 13 3HD1 ILE 13 3.462 -2.903 -8.476 104 H GLY 14 HN GLY 14 6.601 -4.438 -8.055 105 1HA GLY 14 2HA GLY 14 6.046 -6.921 -7.152 106 2HA GLY 14 1HA GLY 14 4.439 -6.206 -7.061 107 H LYS 15 HN LYS 15 5.660 -8.365 -8.834 108 HA LYS 15 HA LYS 15 4.714 -7.183 -11.409 109 1HB LYS 15 2HB LYS 15 7.242 -7.463 -11.273 110 2HB LYS 15 1HB LYS 15 6.957 -9.202 -11.201 111 1HG LYS 15 2HG LYS 15 5.377 -8.191 -13.341 112 2HG LYS 15 1HG LYS 15 6.987 -7.492 -13.511 113 1HD LYS 15 2HD LYS 15 6.483 -10.446 -13.064 114 2HD LYS 15 1HD LYS 15 6.707 -9.722 -14.657 115 1HE LYS 15 2HE LYS 15 8.947 -9.301 -14.306 116 2HE LYS 15 1HE LYS 15 8.745 -9.105 -12.565 117 1HZ LYS 15 1HE LYS 15 8.777 -11.637 -14.106 118 2HZ LYS 15 2HE LYS 15 8.286 -11.542 -12.482 119 3HZ LYS 15 3HE LYS 15 9.877 -11.135 -12.917 120 H ASP 16 HN ASP 16 3.318 -8.464 -12.552 121 HA ASP 16 HA ASP 16 1.779 -10.175 -12.923 122 1HB ASP 16 2HB ASP 16 4.444 -11.360 -12.643 123 2HB ASP 16 1HB ASP 16 3.141 -12.507 -12.335 124 H GLY 17 HN GLY 17 1.077 -9.139 -10.515 125 1HA GLY 17 2HA GLY 17 -0.260 -9.770 -8.706 126 2HA GLY 17 1HA GLY 17 -0.025 -11.449 -9.174 127 H HIS 18 HN HIS 18 2.021 -12.481 -8.476 128 HA HIS 18 HA HIS 18 2.508 -12.171 -5.723 129 1HB HIS 18 2HB HIS 18 4.549 -13.557 -6.122 130 2HB HIS 18 1HB HIS 18 3.105 -14.215 -6.890 131 HD1 HIS 18 HD1 HIS 18 6.388 -12.580 -7.658 132 HD2 HIS 18 HD2 HIS 18 3.096 -14.062 -9.742 133 HE1 HIS 18 HE1 HIS 18 7.072 -12.687 -10.095 134 H LEU 19 HN LEU 19 5.139 -11.977 -5.155 135 HA LEU 19 HA LEU 19 5.877 -9.221 -6.057 136 1HB LEU 19 2HB LEU 19 5.992 -10.550 -3.357 137 2HB LEU 19 1HB LEU 19 7.132 -9.262 -3.748 138 HG LEU 19 HG LEU 19 4.217 -8.834 -4.303 139 1HD1 LEU 19 1HD1 LEU 19 4.493 -9.724 -1.937 140 2HD1 LEU 19 2HD1 LEU 19 3.798 -8.107 -2.054 141 3HD1 LEU 19 3HD1 LEU 19 5.492 -8.309 -1.607 142 1HD2 LEU 19 1HD2 LEU 19 6.051 -7.234 -4.997 143 2HD2 LEU 19 2HD2 LEU 19 6.387 -6.976 -3.285 144 3HD2 LEU 19 3HD2 LEU 19 4.820 -6.519 -3.956 145 HA PRO 20 HA PRO 20 9.811 -10.888 -7.241 146 1HB PRO 20 2HB PRO 20 11.366 -8.622 -6.587 147 2HB PRO 20 1HB PRO 20 10.557 -8.943 -8.128 148 1HG PRO 20 2HG PRO 20 9.936 -6.909 -6.273 149 2HG PRO 20 1HG PRO 20 9.011 -7.360 -7.710 150 1HD PRO 20 2HD PRO 20 8.498 -8.006 -4.869 151 2HD PRO 20 1HD PRO 20 7.370 -7.947 -6.240 152 H TRP 21 HN TRP 21 9.837 -9.219 -4.086 153 HA TRP 21 HA TRP 21 12.029 -11.063 -3.236 154 1HB TRP 21 2HB TRP 21 12.450 -9.372 -1.446 155 2HB TRP 21 1HB TRP 21 12.629 -8.704 -3.068 156 HD1 TRP 21 HD1 TRP 21 10.101 -8.821 -0.168 157 HE1 TRP 21 HE1 TRP 21 8.537 -6.780 -0.373 158 HE3 TRP 21 HE3 TRP 21 11.762 -6.880 -4.590 159 HZ2 TRP 21 HZ2 TRP 21 8.064 -4.604 -2.169 160 HZ3 TRP 21 HZ3 TRP 21 10.742 -4.825 -5.519 161 HH2 TRP 21 HH2 TRP 21 8.897 -3.684 -4.318 162 H HIS 22 HN HIS 22 11.634 -12.478 -1.600 163 HA HIS 22 HA HIS 22 8.921 -12.489 -0.403 164 1HB HIS 22 2HB HIS 22 10.168 -14.572 -1.358 165 2HB HIS 22 1HB HIS 22 11.086 -14.520 0.147 166 HD1 HIS 22 HD1 HIS 22 8.093 -15.938 -1.226 167 HD2 HIS 22 HD2 HIS 22 9.141 -14.399 2.504 168 HE1 HIS 22 HE1 HIS 22 6.390 -16.832 0.421 169 H LEU 23 HN LEU 23 8.959 -10.888 1.202 170 HA LEU 23 HA LEU 23 10.983 -11.293 3.363 171 1HB LEU 23 2HB LEU 23 11.470 -9.240 2.021 172 2HB LEU 23 1HB LEU 23 9.875 -8.621 2.451 173 HG LEU 23 HG LEU 23 10.532 -8.885 4.883 174 1HD1 LEU 23 1HD1 LEU 23 12.361 -10.518 4.469 175 2HD1 LEU 23 2HD1 LEU 23 12.912 -9.120 5.392 176 3HD1 LEU 23 3HD1 LEU 23 13.281 -9.242 3.673 177 1HD2 LEU 23 1HD2 LEU 23 12.304 -6.944 4.692 178 2HD2 LEU 23 2HD2 LEU 23 10.650 -6.662 4.168 179 3HD2 LEU 23 3HD2 LEU 23 11.901 -7.004 2.976 180 HA PRO 24 HA PRO 24 7.024 -11.842 5.510 181 1HB PRO 24 2HB PRO 24 8.462 -12.739 7.803 182 2HB PRO 24 1HB PRO 24 7.567 -13.723 6.639 183 1HG PRO 24 2HG PRO 24 10.383 -13.587 7.003 184 2HG PRO 24 1HG PRO 24 9.486 -14.517 5.795 185 1HD PRO 24 2HD PRO 24 11.041 -12.100 5.430 186 2HD PRO 24 1HD PRO 24 10.302 -13.141 4.205 187 H ASP 25 HN ASP 25 9.982 -10.315 6.712 188 HA ASP 25 HA ASP 25 8.819 -8.975 8.957 189 1HB ASP 25 2HB ASP 25 11.344 -9.256 8.085 190 2HB ASP 25 1HB ASP 25 11.018 -7.641 7.453 191 H ASP 26 HN ASP 26 8.863 -8.225 5.517 192 HA ASP 26 HA ASP 26 7.990 -5.468 5.884 193 1HB ASP 26 2HB ASP 26 9.161 -5.979 3.844 194 2HB ASP 26 1HB ASP 26 8.057 -7.299 3.468 195 H LEU 27 HN LEU 27 6.408 -8.574 5.118 196 HA LEU 27 HA LEU 27 3.788 -7.620 4.666 197 1HB LEU 27 2HB LEU 27 4.666 -10.159 6.079 198 2HB LEU 27 1HB LEU 27 3.038 -9.855 5.472 199 HG LEU 27 HG LEU 27 5.363 -9.537 3.605 200 1HD1 LEU 27 1HD1 LEU 27 4.233 -12.176 3.380 201 2HD1 LEU 27 2HD1 LEU 27 4.844 -11.947 5.019 202 3HD1 LEU 27 3HD1 LEU 27 5.916 -11.718 3.638 203 1HD2 LEU 27 1HD2 LEU 27 2.657 -9.208 3.351 204 2HD2 LEU 27 2HD2 LEU 27 2.847 -10.877 2.814 205 3HD2 LEU 27 3HD2 LEU 27 3.734 -9.584 2.006 206 H HIS 28 HN HIS 28 5.425 -8.400 7.733 207 HA HIS 28 HA HIS 28 3.214 -7.872 9.460 208 1HB HIS 28 2HB HIS 28 6.190 -7.522 9.949 209 2HB HIS 28 1HB HIS 28 4.955 -7.510 11.208 210 HD1 HIS 28 HD1 HIS 28 3.213 -9.822 10.643 211 HD2 HIS 28 HD2 HIS 28 7.323 -10.033 9.978 212 HE1 HIS 28 HE1 HIS 28 3.814 -12.283 10.646 213 H TYR 29 HN TYR 29 5.686 -5.761 8.047 214 HA TYR 29 HA TYR 29 4.956 -3.381 9.480 215 1HB TYR 29 2HB TYR 29 7.066 -3.738 8.098 216 2HB TYR 29 1HB TYR 29 6.067 -3.490 6.664 217 HD1 TYR 29 HD1 TYR 29 6.824 -1.905 9.977 218 HD2 TYR 29 HD2 TYR 29 5.755 -1.319 5.858 219 HE1 TYR 29 HE1 TYR 29 6.988 0.550 10.284 220 HE2 TYR 29 HE2 TYR 29 5.919 1.137 6.165 221 HH TYR 29 HH TYR 29 5.951 2.790 7.802 222 H PHE 30 HN PHE 30 3.787 -4.883 6.515 223 HA PHE 30 HA PHE 30 2.119 -2.715 5.640 224 1HB PHE 30 2HB PHE 30 2.741 -4.581 4.160 225 2HB PHE 30 1HB PHE 30 1.852 -5.705 5.185 226 HD1 PHE 30 HD1 PHE 30 1.195 -2.354 3.605 227 HD2 PHE 30 HD2 PHE 30 -0.211 -6.339 4.359 228 HE1 PHE 30 HE1 PHE 30 -0.890 -1.855 2.357 229 HE2 PHE 30 HE2 PHE 30 -2.294 -5.844 3.108 230 HZ PHE 30 HZ PHE 30 -2.631 -3.603 2.109 231 H ARG 31 HN ARG 31 1.424 -5.635 7.574 232 HA ARG 31 HA ARG 31 -1.341 -5.023 8.034 233 1HB ARG 31 2HB ARG 31 -0.061 -7.245 8.396 234 2HB ARG 31 1HB ARG 31 0.420 -6.558 9.947 235 1HG ARG 31 2HG ARG 31 -1.983 -6.198 10.497 236 2HG ARG 31 1HG ARG 31 -2.422 -6.991 8.982 237 1HD ARG 31 2HD ARG 31 -2.519 -8.787 10.463 238 2HD ARG 31 1HD ARG 31 -0.857 -8.910 9.887 239 HE ARG 31 HE ARG 31 -1.282 -7.297 12.324 240 1HH1 ARG 31 1HH2 ARG 31 -0.340 -10.315 10.873 241 2HH1 ARG 31 2HH2 ARG 31 0.559 -10.829 12.258 242 1HH2 ARG 31 1HH1 ARG 31 -0.121 -7.991 14.117 243 2HH2 ARG 31 2HH1 ARG 31 0.681 -9.525 14.083 244 H ALA 32 HN ALA 32 1.452 -4.738 10.240 245 HA ALA 32 HA ALA 32 0.205 -3.385 12.345 246 1HB ALA 32 1HB ALA 32 2.952 -2.514 11.554 247 2HB ALA 32 2HB ALA 32 2.700 -4.209 11.971 248 3HB ALA 32 3HB ALA 32 2.328 -2.948 13.146 249 H GLN 33 HN GLN 33 1.599 -1.953 9.386 250 HA GLN 33 HA GLN 33 1.165 0.771 10.193 251 1HB GLN 33 2HB GLN 33 1.560 -0.541 7.501 252 2HB GLN 33 1HB GLN 33 1.368 1.203 7.685 253 1HG GLN 33 2HG GLN 33 3.399 -0.292 9.331 254 2HG GLN 33 1HG GLN 33 3.777 0.221 7.687 255 1HE2 GLN 33 1HE2 GLN 33 3.629 2.601 7.233 256 2HE2 GLN 33 2HE2 GLN 33 3.832 3.705 8.506 257 H THR 34 HN THR 34 -1.016 -1.643 9.047 258 HA THR 34 HA THR 34 -3.040 0.499 8.501 259 HB THR 34 HB THR 34 -4.205 -1.183 7.085 260 HG1 THR 34 HG1 THR 34 -1.857 -2.698 7.568 261 1HG2 THR 34 1HG2 THR 34 -1.390 -0.310 6.550 262 2HG2 THR 34 2HG2 THR 34 -2.888 0.226 5.788 263 3HG2 THR 34 3HG2 THR 34 -2.203 -1.348 5.379 264 H VAL 35 HN VAL 35 -2.379 -0.722 11.132 265 HA VAL 35 HA VAL 35 -4.591 -2.529 11.748 266 HB VAL 35 HB VAL 35 -3.862 -2.173 14.121 267 1HG1 VAL 35 1HG1 VAL 35 -1.313 -2.864 13.406 268 2HG1 VAL 35 2HG1 VAL 35 -2.189 -3.183 11.909 269 3HG1 VAL 35 3HG1 VAL 35 -2.681 -3.977 13.404 270 1HG2 VAL 35 1HG2 VAL 35 -1.365 -0.908 13.679 271 2HG2 VAL 35 2HG2 VAL 35 -2.729 -0.288 14.608 272 3HG2 VAL 35 3HG2 VAL 35 -2.578 0.108 12.897 273 H GLY 36 HN GLY 36 -6.636 -1.711 11.721 274 1HA GLY 36 2HA GLY 36 -8.430 -0.433 12.587 275 2HA GLY 36 1HA GLY 36 -7.265 0.565 13.453 276 H LYS 37 HN LYS 37 -6.533 0.181 10.109 277 HA LYS 37 HA LYS 37 -7.765 2.857 9.566 278 1HB LYS 37 2HB LYS 37 -5.082 1.744 8.710 279 2HB LYS 37 1HB LYS 37 -5.796 3.195 8.009 280 1HG LYS 37 2HG LYS 37 -5.683 4.384 10.041 281 2HG LYS 37 1HG LYS 37 -5.493 2.912 10.993 282 1HD LYS 37 2HD LYS 37 -3.255 3.070 10.839 283 2HD LYS 37 1HD LYS 37 -3.356 3.044 9.079 284 1HE LYS 37 2HE LYS 37 -3.104 5.297 8.909 285 2HE LYS 37 1HE LYS 37 -4.134 5.613 10.305 286 1HZ LYS 37 1HE LYS 37 -2.208 4.714 11.664 287 2HZ LYS 37 2HE LYS 37 -2.008 6.252 10.969 288 3HZ LYS 37 3HE LYS 37 -1.267 4.895 10.265 289 H ILE 38 HN ILE 38 -8.381 3.235 7.306 290 HA ILE 38 HA ILE 38 -9.617 0.916 6.088 291 HB ILE 38 HB ILE 38 -9.183 3.672 4.902 292 1HG1 ILE 38 2HG1 ILE 38 -11.519 2.583 6.509 293 2HG1 ILE 38 1HG1 ILE 38 -10.320 3.721 7.122 294 1HG2 ILE 38 1HG2 ILE 38 -11.069 1.385 4.277 295 2HG2 ILE 38 2HG2 ILE 38 -9.865 2.104 3.207 296 3HG2 ILE 38 3HG2 ILE 38 -11.301 3.022 3.662 297 1HD1 ILE 38 1HD1 ILE 38 -11.435 4.614 4.583 298 2HD1 ILE 38 2HD1 ILE 38 -11.349 5.465 6.124 299 3HD1 ILE 38 3HD1 ILE 38 -12.691 4.376 5.795 300 H MET 39 HN MET 39 -8.627 -0.530 4.774 301 HA MET 39 HA MET 39 -6.023 0.232 3.537 302 1HB MET 39 2HB MET 39 -6.319 -1.844 5.039 303 2HB MET 39 1HB MET 39 -7.189 -2.548 3.676 304 1HG MET 39 2HG MET 39 -4.903 -1.496 2.498 305 2HG MET 39 1HG MET 39 -4.313 -2.135 4.032 306 1HE MET 39 1HE MET 39 -5.956 -4.364 4.853 307 2HE MET 39 2HE MET 39 -4.216 -4.586 4.700 308 3HE MET 39 3HE MET 39 -5.311 -5.802 4.049 309 H VAL 40 HN VAL 40 -6.310 1.013 1.480 310 HA VAL 40 HA VAL 40 -8.519 -0.032 -0.181 311 HB VAL 40 HB VAL 40 -6.471 2.095 -0.846 312 1HG1 VAL 40 1HG1 VAL 40 -8.501 2.793 -2.325 313 2HG1 VAL 40 2HG1 VAL 40 -9.045 1.134 -2.074 314 3HG1 VAL 40 3HG1 VAL 40 -7.495 1.444 -2.856 315 1HG2 VAL 40 1HG2 VAL 40 -8.441 3.630 -0.262 316 2HG2 VAL 40 2HG2 VAL 40 -7.618 2.868 1.100 317 3HG2 VAL 40 3HG2 VAL 40 -9.160 2.229 0.532 318 H VAL 41 HN VAL 41 -8.160 -1.789 -1.386 319 HA VAL 41 HA VAL 41 -5.487 -2.114 -2.700 320 HB VAL 41 HB VAL 41 -5.859 -4.599 -2.530 321 1HG1 VAL 41 1HG1 VAL 41 -5.585 -4.522 0.116 322 2HG1 VAL 41 2HG1 VAL 41 -5.423 -2.793 -0.192 323 3HG1 VAL 41 3HG1 VAL 41 -4.315 -3.934 -0.955 324 1HG2 VAL 41 1HG2 VAL 41 -8.366 -3.640 -1.378 325 2HG2 VAL 41 2HG2 VAL 41 -7.548 -4.784 -0.317 326 3HG2 VAL 41 3HG2 VAL 41 -7.950 -5.245 -1.970 327 H GLY 42 HN GLY 42 -5.674 -2.149 -4.890 328 1HA GLY 42 2HA GLY 42 -8.184 -1.980 -6.228 329 2HA GLY 42 1HA GLY 42 -6.641 -2.293 -7.015 330 H ARG 43 HN ARG 43 -9.227 -3.506 -7.612 331 HA ARG 43 HA ARG 43 -9.681 -6.063 -6.604 332 1HB ARG 43 2HB ARG 43 -11.034 -4.832 -8.353 333 2HB ARG 43 1HB ARG 43 -9.842 -5.356 -9.542 334 1HG ARG 43 2HG ARG 43 -10.763 -7.558 -7.849 335 2HG ARG 43 1HG ARG 43 -12.082 -6.800 -8.741 336 1HD ARG 43 2HD ARG 43 -9.486 -7.733 -10.000 337 2HD ARG 43 1HD ARG 43 -10.987 -8.658 -10.011 338 HE ARG 43 HE ARG 43 -11.366 -5.983 -11.065 339 1HH1 ARG 43 1HH2 ARG 43 -10.233 -9.188 -11.770 340 2HH1 ARG 43 2HH2 ARG 43 -10.522 -9.043 -13.470 341 1HH2 ARG 43 1HH1 ARG 43 -11.734 -5.807 -13.279 342 2HH2 ARG 43 2HH1 ARG 43 -11.370 -7.142 -14.320 343 H ARG 44 HN ARG 44 -6.991 -5.039 -8.623 344 HA ARG 44 HA ARG 44 -6.322 -7.704 -9.547 345 1HB ARG 44 2HB ARG 44 -4.856 -5.070 -9.438 346 2HB ARG 44 1HB ARG 44 -4.039 -6.545 -9.952 347 1HG ARG 44 2HG ARG 44 -6.079 -6.827 -11.555 348 2HG ARG 44 1HG ARG 44 -6.337 -5.107 -11.259 349 1HD ARG 44 2HD ARG 44 -3.742 -4.964 -11.782 350 2HD ARG 44 1HD ARG 44 -4.058 -6.468 -12.645 351 HE ARG 44 HE ARG 44 -4.937 -3.813 -13.456 352 1HH1 ARG 44 1HH1 ARG 44 -5.605 -7.219 -13.555 353 2HH1 ARG 44 2HH1 ARG 44 -6.501 -7.119 -15.031 354 1HH2 ARG 44 1HH2 ARG 44 -6.101 -3.697 -15.376 355 2HH2 ARG 44 2HH2 ARG 44 -6.782 -5.136 -16.057 356 H THR 45 HN THR 45 -5.086 -5.595 -6.938 357 HA THR 45 HA THR 45 -3.213 -7.564 -5.961 358 HB THR 45 HB THR 45 -4.445 -5.330 -4.339 359 HG1 THR 45 HG1 THR 45 -2.372 -5.279 -6.269 360 1HG2 THR 45 1HG2 THR 45 -3.046 -6.314 -2.846 361 2HG2 THR 45 2HG2 THR 45 -1.782 -5.490 -3.752 362 3HG2 THR 45 3HG2 THR 45 -2.156 -7.175 -4.100 363 H TYR 46 HN TYR 46 -6.469 -6.552 -4.868 364 HA TYR 46 HA TYR 46 -6.721 -8.281 -2.658 365 1HB TYR 46 2HB TYR 46 -8.368 -6.506 -3.394 366 2HB TYR 46 1HB TYR 46 -8.940 -7.642 -4.613 367 HD1 TYR 46 HD1 TYR 46 -10.857 -8.802 -4.031 368 HD2 TYR 46 HD2 TYR 46 -8.033 -7.789 -0.965 369 HE1 TYR 46 HE1 TYR 46 -12.307 -9.891 -2.341 370 HE2 TYR 46 HE2 TYR 46 -9.482 -8.876 0.730 371 HH TYR 46 HH TYR 46 -12.687 -9.725 0.133 372 H GLU 47 HN GLU 47 -7.177 -8.942 -6.106 373 HA GLU 47 HA GLU 47 -8.142 -11.650 -5.665 374 1HB GLU 47 2HB GLU 47 -7.318 -10.014 -8.035 375 2HB GLU 47 1HB GLU 47 -7.399 -11.768 -8.210 376 1HG GLU 47 HG2 GLU 47 -9.737 -10.989 -6.802 377 2HG GLU 47 HG1 GLU 47 -9.564 -9.866 -8.150 378 H SER 48 HN SER 48 -5.023 -10.154 -5.747 379 HA SER 48 HA SER 48 -3.697 -12.778 -6.211 380 1HB SER 48 2HB SER 48 -1.605 -11.430 -6.313 381 2HB SER 48 1HB SER 48 -2.799 -10.915 -7.500 382 HG SER 48 HG SER 48 -2.090 -9.088 -6.495 383 H PHE 49 HN PHE 49 -4.545 -10.599 -3.657 384 HA PHE 49 HA PHE 49 -2.550 -10.987 -1.736 385 1HB PHE 49 2HB PHE 49 -5.413 -10.351 -1.714 386 2HB PHE 49 1HB PHE 49 -4.894 -11.195 -0.257 387 HD1 PHE 49 HD1 PHE 49 -2.638 -10.312 0.813 388 HD2 PHE 49 HD2 PHE 49 -5.124 -8.035 -1.838 389 HE1 PHE 49 HE1 PHE 49 -1.637 -8.219 1.673 390 HE2 PHE 49 HE2 PHE 49 -4.124 -5.938 -0.977 391 HZ PHE 49 HZ PHE 49 -2.376 -6.030 0.779 392 HA PRO 50 HA PRO 50 -2.740 -15.381 -0.891 393 1HB PRO 50 2HB PRO 50 -1.131 -15.240 1.393 394 2HB PRO 50 1HB PRO 50 -0.554 -15.412 -0.270 395 1HG PRO 50 2HG PRO 50 -0.240 -13.173 1.476 396 2HG PRO 50 1HG PRO 50 0.320 -13.343 -0.194 397 1HD PRO 50 2HD PRO 50 -2.008 -11.893 0.841 398 2HD PRO 50 1HD PRO 50 -1.203 -11.745 -0.729 399 H LYS 51 HN LYS 51 -2.805 -13.358 2.078 400 HA LYS 51 HA LYS 51 -5.055 -15.081 3.044 401 1HB LYS 51 2HB LYS 51 -2.832 -15.134 4.331 402 2HB LYS 51 1HB LYS 51 -3.205 -13.480 4.815 403 1HG LYS 51 2HG LYS 51 -5.130 -14.130 6.007 404 2HG LYS 51 1HG LYS 51 -5.228 -15.683 5.177 405 1HD LYS 51 2HD LYS 51 -4.350 -16.277 7.272 406 2HD LYS 51 1HD LYS 51 -2.904 -16.141 6.271 407 1HE LYS 51 2HE LYS 51 -2.626 -13.789 7.060 408 2HE LYS 51 1HE LYS 51 -4.004 -14.018 8.136 409 1HZ LYS 51 1HE LYS 51 -1.331 -15.234 8.258 410 2HZ LYS 51 2HE LYS 51 -2.657 -16.070 8.915 411 3HZ LYS 51 3HE LYS 51 -2.247 -14.527 9.498 412 H ARG 52 HN ARG 52 -6.635 -13.695 2.088 413 HA ARG 52 HA ARG 52 -6.878 -11.033 3.433 414 1HB ARG 52 2HB ARG 52 -8.203 -10.405 1.314 415 2HB ARG 52 1HB ARG 52 -6.452 -10.534 1.148 416 1HG ARG 52 2HG ARG 52 -6.580 -12.395 -0.169 417 2HG ARG 52 1HG ARG 52 -7.955 -13.052 0.719 418 1HD ARG 52 2HD ARG 52 -9.507 -11.786 -0.498 419 2HD ARG 52 1HD ARG 52 -8.296 -10.609 -0.998 420 HE ARG 52 HE ARG 52 -7.348 -12.425 -2.466 421 1HH1 ARG 52 1HH1 ARG 52 -10.635 -12.619 -1.333 422 2HH1 ARG 52 2HH1 ARG 52 -11.136 -13.644 -2.630 423 1HH2 ARG 52 1HH2 ARG 52 -8.026 -13.758 -4.137 424 2HH2 ARG 52 2HH2 ARG 52 -9.674 -14.285 -4.206 425 HA PRO 53 HA PRO 53 -8.356 -9.452 3.408 426 1HB PRO 53 2HB PRO 53 -10.035 -8.537 5.439 427 2HB PRO 53 1HB PRO 53 -10.355 -8.408 3.703 428 1HG PRO 53 2HG PRO 53 -11.714 -10.024 5.651 429 2HG PRO 53 1HG PRO 53 -12.079 -9.834 3.931 430 1HD PRO 53 2HD PRO 53 -10.736 -12.043 5.286 431 2HD PRO 53 1HD PRO 53 -11.366 -11.964 3.633 432 H LEU 54 HN LEU 54 -7.651 -8.022 5.410 433 HA LEU 54 HA LEU 54 -6.117 -9.811 7.194 434 1HB LEU 54 2HB LEU 54 -6.024 -6.853 6.605 435 2HB LEU 54 1HB LEU 54 -5.132 -7.551 7.956 436 HG LEU 54 HG LEU 54 -4.898 -8.677 5.166 437 1HD1 LEU 54 1HD1 LEU 54 -2.624 -7.078 5.903 438 2HD1 LEU 54 2HD1 LEU 54 -4.075 -6.082 5.997 439 3HD1 LEU 54 3HD1 LEU 54 -3.674 -6.914 4.495 440 1HD2 LEU 54 1HD2 LEU 54 -4.098 -9.751 7.469 441 2HD2 LEU 54 2HD2 LEU 54 -2.744 -8.643 7.247 442 3HD2 LEU 54 3HD2 LEU 54 -3.096 -9.862 6.022 443 HA PRO 55 HA PRO 55 -9.386 -9.558 10.291 444 1HB PRO 55 2HB PRO 55 -7.461 -10.529 12.212 445 2HB PRO 55 1HB PRO 55 -8.847 -11.376 11.516 446 1HG PRO 55 2HG PRO 55 -6.064 -11.723 10.921 447 2HG PRO 55 1HG PRO 55 -7.448 -12.618 10.281 448 1HD PRO 55 2HD PRO 55 -5.824 -10.800 8.869 449 2HD PRO 55 1HD PRO 55 -7.350 -11.506 8.318 450 H GLU 56 HN GLU 56 -9.671 -8.380 12.323 451 HA GLU 56 HA GLU 56 -9.445 -6.404 13.573 452 1HB GLU 56 2HB GLU 56 -6.889 -7.876 13.694 453 2HB GLU 56 1HB GLU 56 -6.777 -6.173 14.140 454 1HG GLU 56 HG2 GLU 56 -8.432 -6.416 15.851 455 2HG GLU 56 HG1 GLU 56 -8.886 -8.021 15.276 456 H ARG 57 HN ARG 57 -8.972 -6.252 10.540 457 HA ARG 57 HA ARG 57 -7.828 -3.512 10.618 458 1HB ARG 57 2HB ARG 57 -6.724 -5.849 9.121 459 2HB ARG 57 1HB ARG 57 -6.710 -4.279 8.318 460 1HG ARG 57 2HG ARG 57 -4.867 -3.750 9.495 461 2HG ARG 57 1HG ARG 57 -5.843 -3.795 10.962 462 1HD ARG 57 2HD ARG 57 -5.313 -6.489 10.312 463 2HD ARG 57 1HD ARG 57 -3.790 -5.633 10.090 464 HE ARG 57 HE ARG 57 -4.726 -4.700 12.526 465 1HH1 ARG 57 1HH2 ARG 57 -4.113 -7.815 11.123 466 2HH1 ARG 57 2HH2 ARG 57 -3.719 -8.551 12.638 467 1HH2 ARG 57 1HH1 ARG 57 -4.212 -5.668 14.491 468 2HH2 ARG 57 2HH1 ARG 57 -3.774 -7.343 14.536 469 H THR 58 HN THR 58 -8.567 -2.173 8.903 470 HA THR 58 HA THR 58 -11.136 -3.039 7.754 471 HB THR 58 HB THR 58 -9.769 -0.396 7.270 472 HG1 THR 58 HG1 THR 58 -11.227 -1.264 9.533 473 1HG2 THR 58 1HG2 THR 58 -11.786 0.267 6.487 474 2HG2 THR 58 2HG2 THR 58 -12.651 -0.528 7.802 475 3HG2 THR 58 3HG2 THR 58 -12.155 -1.455 6.386 476 H ASN 59 HN ASN 59 -11.252 -3.919 5.744 477 HA ASN 59 HA ASN 59 -9.033 -3.317 3.825 478 1HB ASN 59 2HB ASN 59 -10.593 -5.871 4.284 479 2HB ASN 59 1HB ASN 59 -9.596 -5.601 2.854 480 1HD2 ASN 59 1HD2 ASN 59 -9.295 -5.305 6.445 481 2HD2 ASN 59 2HD2 ASN 59 -7.703 -5.887 6.501 482 H VAL 60 HN VAL 60 -9.715 -2.301 1.971 483 HA VAL 60 HA VAL 60 -12.592 -2.594 1.221 484 HB VAL 60 HB VAL 60 -10.818 -0.183 0.738 485 1HG1 VAL 60 1HG1 VAL 60 -13.610 -0.961 0.070 486 2HG1 VAL 60 2HG1 VAL 60 -12.498 0.099 -0.796 487 3HG1 VAL 60 3HG1 VAL 60 -13.372 0.700 0.613 488 1HG2 VAL 60 1HG2 VAL 60 -12.750 -0.846 2.967 489 2HG2 VAL 60 2HG2 VAL 60 -12.418 0.827 2.520 490 3HG2 VAL 60 3HG2 VAL 60 -11.110 -0.211 3.091 491 H VAL 61 HN VAL 61 -12.927 -3.270 -0.889 492 HA VAL 61 HA VAL 61 -10.494 -3.678 -2.547 493 HB VAL 61 HB VAL 61 -13.287 -4.738 -3.045 494 1HG1 VAL 61 1HG1 VAL 61 -10.931 -6.304 -3.837 495 2HG1 VAL 61 2HG1 VAL 61 -11.028 -4.736 -4.635 496 3HG1 VAL 61 3HG1 VAL 61 -12.364 -5.877 -4.771 497 1HG2 VAL 61 1HG2 VAL 61 -12.654 -6.753 -1.865 498 2HG2 VAL 61 2HG2 VAL 61 -12.383 -5.391 -0.778 499 3HG2 VAL 61 3HG2 VAL 61 -11.019 -6.144 -1.604 500 H LEU 62 HN LEU 62 -10.396 -2.901 -4.693 501 HA LEU 62 HA LEU 62 -12.488 -0.886 -5.412 502 1HB LEU 62 2HB LEU 62 -9.613 -0.612 -5.150 503 2HB LEU 62 1HB LEU 62 -10.112 -0.255 -6.804 504 HG LEU 62 HG LEU 62 -12.007 1.140 -5.631 505 1HD1 LEU 62 1HD1 LEU 62 -10.581 0.195 -3.389 506 2HD1 LEU 62 2HD1 LEU 62 -11.852 1.416 -3.402 507 3HD1 LEU 62 3HD1 LEU 62 -10.165 1.903 -3.533 508 1HD2 LEU 62 1HD2 LEU 62 -10.792 2.816 -6.524 509 2HD2 LEU 62 2HD2 LEU 62 -9.410 1.727 -6.633 510 3HD2 LEU 62 3HD2 LEU 62 -9.637 2.721 -5.195 511 H THR 63 HN THR 63 -13.566 -1.454 -7.217 512 HA THR 63 HA THR 63 -12.120 -2.837 -9.408 513 HB THR 63 HB THR 63 -12.971 -4.691 -8.093 514 HG1 THR 63 HG1 THR 63 -13.187 -4.898 -10.323 515 1HG2 THR 63 1HG2 THR 63 -15.695 -4.619 -8.119 516 2HG2 THR 63 2HG2 THR 63 -15.318 -2.912 -7.894 517 3HG2 THR 63 3HG2 THR 63 -14.711 -4.105 -6.749 518 H HIS 64 HN HIS 64 -13.419 -2.919 -11.417 519 HA HIS 64 HA HIS 64 -15.156 -0.517 -11.622 520 1HB HIS 64 2HB HIS 64 -13.349 -1.996 -13.441 521 2HB HIS 64 1HB HIS 64 -14.830 -1.397 -14.186 522 HD1 HIS 64 HD1 HIS 64 -15.237 1.207 -14.106 523 HD2 HIS 64 HD2 HIS 64 -11.488 0.000 -12.742 524 HE1 HIS 64 HE1 HIS 64 -13.805 3.293 -14.010 525 H GLN 65 HN GLN 65 -15.607 -3.753 -11.076 526 HA GLN 65 HA GLN 65 -17.843 -4.157 -12.942 527 1HB GLN 65 2HB GLN 65 -16.564 -5.801 -10.764 528 2HB GLN 65 1HB GLN 65 -18.123 -6.270 -11.443 529 1HG GLN 65 2HG GLN 65 -16.372 -7.409 -12.681 530 2HG GLN 65 1HG GLN 65 -17.089 -6.182 -13.727 531 1HE2 GLN 65 1HE2 GLN 65 -14.375 -6.498 -11.364 532 2HE2 GLN 65 2HE2 GLN 65 -13.314 -5.494 -12.228 533 H GLU 66 HN GLU 66 -19.925 -5.102 -11.748 534 HA GLU 66 HA GLU 66 -20.589 -3.223 -9.516 535 1HB GLU 66 2HB GLU 66 -21.991 -3.813 -12.064 536 2HB GLU 66 1HB GLU 66 -23.014 -3.693 -10.632 537 1HG GLU 66 HG2 GLU 66 -20.917 -1.600 -11.046 538 2HG GLU 66 HG1 GLU 66 -22.376 -1.527 -12.035 539 H ASP 67 HN ASP 67 -20.427 -6.479 -10.544 540 HA ASP 67 HA ASP 67 -22.345 -7.321 -8.419 541 1HB ASP 67 2HB ASP 67 -21.289 -8.654 -10.904 542 2HB ASP 67 1HB ASP 67 -21.964 -9.619 -9.590 543 H TYR 68 HN TYR 68 -19.419 -6.420 -8.133 544 HA TYR 68 HA TYR 68 -17.818 -8.701 -7.501 545 1HB TYR 68 2HB TYR 68 -17.196 -6.143 -7.664 546 2HB TYR 68 1HB TYR 68 -17.562 -6.151 -5.938 547 HD1 TYR 68 HD1 TYR 68 -15.474 -7.755 -8.568 548 HD2 TYR 68 HD2 TYR 68 -16.074 -7.138 -4.360 549 HE1 TYR 68 HE1 TYR 68 -13.270 -8.790 -8.103 550 HE2 TYR 68 HE2 TYR 68 -13.869 -8.172 -3.894 551 HH TYR 68 HH TYR 68 -12.204 -10.007 -6.089 552 H GLN 69 HN GLN 69 -18.408 -10.228 -6.047 553 HA GLN 69 HA GLN 69 -20.050 -9.430 -3.702 554 1HB GLN 69 2HB GLN 69 -19.350 -12.135 -4.876 555 2HB GLN 69 1HB GLN 69 -20.287 -11.922 -3.396 556 1HG GLN 69 2HG GLN 69 -21.335 -10.235 -5.509 557 2HG GLN 69 1HG GLN 69 -21.273 -11.917 -6.035 558 1HE2 GLN 69 1HE2 GLN 69 -23.437 -9.868 -4.764 559 2HE2 GLN 69 2HE2 GLN 69 -24.293 -10.902 -3.726 560 H ALA 70 HN ALA 70 -18.697 -8.673 -2.107 561 HA ALA 70 HA ALA 70 -16.457 -10.482 -1.290 562 1HB ALA 70 1HB ALA 70 -16.269 -7.590 -0.616 563 2HB ALA 70 2HB ALA 70 -16.043 -8.012 -2.314 564 3HB ALA 70 3HB ALA 70 -14.999 -8.722 -1.083 565 H GLN 71 HN GLN 71 -17.887 -11.485 0.255 566 HA GLN 71 HA GLN 71 -19.260 -9.863 2.257 567 1HB GLN 71 2HB GLN 71 -18.735 -12.835 2.007 568 2HB GLN 71 1HB GLN 71 -19.621 -12.127 3.357 569 1HG GLN 71 2HG GLN 71 -21.426 -11.517 2.037 570 2HG GLN 71 1HG GLN 71 -20.448 -11.402 0.573 571 1HE2 GLN 71 1HE2 GLN 71 -22.566 -13.458 2.338 572 2HE2 GLN 71 2HE2 GLN 71 -22.315 -14.871 1.431 573 H GLY 72 HN GLY 72 -18.225 -8.940 3.948 574 1HA GLY 72 2HA GLY 72 -16.918 -9.275 6.014 575 2HA GLY 72 1HA GLY 72 -15.870 -10.368 5.106 576 H ALA 73 HN ALA 73 -15.778 -8.609 2.743 577 HA ALA 73 HA ALA 73 -13.976 -6.512 3.874 578 1HB ALA 73 1HB ALA 73 -13.750 -8.367 1.578 579 2HB ALA 73 2HB ALA 73 -12.484 -7.645 2.571 580 3HB ALA 73 3HB ALA 73 -13.220 -6.714 1.266 581 H VAL 74 HN VAL 74 -14.187 -4.427 3.133 582 HA VAL 74 HA VAL 74 -16.742 -3.551 2.180 583 HB VAL 74 HB VAL 74 -14.115 -2.046 1.989 584 1HG1 VAL 74 1HG1 VAL 74 -15.889 -0.982 0.719 585 2HG1 VAL 74 2HG1 VAL 74 -15.641 -0.068 2.208 586 3HG1 VAL 74 3HG1 VAL 74 -17.013 -1.166 2.066 587 1HG2 VAL 74 1HG2 VAL 74 -14.426 -2.809 4.272 588 2HG2 VAL 74 2HG2 VAL 74 -16.116 -2.305 4.251 589 3HG2 VAL 74 3HG2 VAL 74 -14.835 -1.094 4.202 590 H VAL 75 HN VAL 75 -17.189 -2.497 0.057 591 HA VAL 75 HA VAL 75 -15.382 -3.309 -2.149 592 HB VAL 75 HB VAL 75 -18.360 -3.897 -2.150 593 1HG1 VAL 75 1HG1 VAL 75 -17.152 -5.403 -4.114 594 2HG1 VAL 75 2HG1 VAL 75 -16.216 -3.910 -4.170 595 3HG1 VAL 75 3HG1 VAL 75 -17.965 -3.862 -4.386 596 1HG2 VAL 75 1HG2 VAL 75 -17.416 -6.321 -2.230 597 2HG2 VAL 75 2HG2 VAL 75 -17.468 -5.502 -0.670 598 3HG2 VAL 75 3HG2 VAL 75 -15.949 -5.609 -1.560 599 H VAL 76 HN VAL 76 -15.203 -1.616 -3.576 600 HA VAL 76 HA VAL 76 -17.480 0.253 -3.884 601 HB VAL 76 HB VAL 76 -15.967 2.212 -3.544 602 1HG1 VAL 76 1HG1 VAL 76 -16.157 0.305 -1.190 603 2HG1 VAL 76 2HG1 VAL 76 -17.423 1.416 -1.715 604 3HG1 VAL 76 3HG1 VAL 76 -15.903 2.047 -1.081 605 1HG2 VAL 76 1HG2 VAL 76 -13.956 0.321 -3.750 606 2HG2 VAL 76 2HG2 VAL 76 -13.996 0.651 -2.018 607 3HG2 VAL 76 3HG2 VAL 76 -13.742 1.969 -3.163 608 H HIS 77 HN HIS 77 -17.062 1.784 -5.737 609 HA HIS 77 HA HIS 77 -14.990 0.813 -7.639 610 1HB HIS 77 2HB HIS 77 -17.748 1.367 -8.684 611 2HB HIS 77 1HB HIS 77 -16.487 0.339 -9.360 612 HD1 HIS 77 HD1 HIS 77 -16.731 -2.105 -8.924 613 HD2 HIS 77 HD2 HIS 77 -18.905 0.165 -6.188 614 HE1 HIS 77 HE1 HIS 77 -18.018 -3.751 -7.492 615 H ASP 78 HN ASP 78 -15.230 3.264 -6.031 616 HA ASP 78 HA ASP 78 -14.742 5.176 -8.145 617 1HB ASP 78 2HB ASP 78 -17.444 4.933 -7.160 618 2HB ASP 78 1HB ASP 78 -16.796 6.518 -6.738 619 H VAL 79 HN VAL 79 -12.939 6.005 -7.208 620 HA VAL 79 HA VAL 79 -12.145 6.152 -4.583 621 HB VAL 79 HB VAL 79 -11.783 8.264 -6.728 622 1HG1 VAL 79 1HG1 VAL 79 -11.121 8.407 -3.966 623 2HG1 VAL 79 2HG1 VAL 79 -10.635 9.509 -5.252 624 3HG1 VAL 79 3HG1 VAL 79 -9.618 8.131 -4.842 625 1HG2 VAL 79 1HG2 VAL 79 -10.712 6.421 -7.599 626 2HG2 VAL 79 2HG2 VAL 79 -10.462 5.686 -6.015 627 3HG2 VAL 79 3HG2 VAL 79 -9.419 7.004 -6.550 628 H ALA 80 HN ALA 80 -14.570 8.202 -6.111 629 HA ALA 80 HA ALA 80 -14.734 10.262 -4.164 630 1HB ALA 80 1HB ALA 80 -16.051 10.730 -6.008 631 2HB ALA 80 2HB ALA 80 -17.289 10.127 -4.906 632 3HB ALA 80 3HB ALA 80 -16.625 9.069 -6.150 633 H ALA 81 HN ALA 81 -16.350 7.084 -4.297 634 HA ALA 81 HA ALA 81 -17.855 7.442 -1.877 635 1HB ALA 81 1HB ALA 81 -18.698 5.670 -3.089 636 2HB ALA 81 2HB ALA 81 -17.653 4.776 -1.983 637 3HB ALA 81 3HB ALA 81 -17.102 5.138 -3.619 638 H VAL 82 HN VAL 82 -14.719 5.839 -2.523 639 HA VAL 82 HA VAL 82 -14.209 4.924 0.100 640 HB VAL 82 HB VAL 82 -12.095 6.043 -1.760 641 1HG1 VAL 82 1HG1 VAL 82 -10.764 5.310 -0.090 642 2HG1 VAL 82 2HG1 VAL 82 -11.244 3.674 -0.541 643 3HG1 VAL 82 3HG1 VAL 82 -12.114 4.529 0.732 644 1HG2 VAL 82 1HG2 VAL 82 -13.052 3.182 -1.756 645 2HG2 VAL 82 2HG2 VAL 82 -12.102 4.023 -2.980 646 3HG2 VAL 82 3HG2 VAL 82 -13.816 4.383 -2.794 647 H PHE 83 HN PHE 83 -13.513 8.108 -1.344 648 HA PHE 83 HA PHE 83 -12.121 9.234 0.856 649 1HB PHE 83 2HB PHE 83 -13.679 10.307 -1.446 650 2HB PHE 83 1HB PHE 83 -13.378 11.409 -0.103 651 HD1 PHE 83 HD1 PHE 83 -12.058 10.180 -3.128 652 HD2 PHE 83 HD2 PHE 83 -10.883 11.313 0.843 653 HE1 PHE 83 HE1 PHE 83 -9.733 10.547 -3.916 654 HE2 PHE 83 HE2 PHE 83 -8.565 11.677 0.054 655 HZ PHE 83 HZ PHE 83 -7.988 11.293 -2.324 656 H ALA 84 HN ALA 84 -15.612 9.006 0.224 657 HA ALA 84 HA ALA 84 -16.520 10.646 2.349 658 1HB ALA 84 1HB ALA 84 -18.544 8.994 2.284 659 2HB ALA 84 2HB ALA 84 -17.700 8.283 0.908 660 3HB ALA 84 3HB ALA 84 -18.198 9.974 0.859 661 H TYR 85 HN TYR 85 -16.219 7.067 2.380 662 HA TYR 85 HA TYR 85 -16.849 6.519 5.002 663 1HB TYR 85 2HB TYR 85 -15.853 5.028 3.021 664 2HB TYR 85 1HB TYR 85 -14.375 5.209 3.965 665 HD1 TYR 85 HD1 TYR 85 -18.002 4.804 4.862 666 HD2 TYR 85 HD2 TYR 85 -13.991 3.324 5.288 667 HE1 TYR 85 HE1 TYR 85 -18.808 3.071 6.443 668 HE2 TYR 85 HE2 TYR 85 -14.796 1.596 6.873 669 HH TYR 85 HH TYR 85 -16.841 0.440 7.445 670 H ALA 86 HN ALA 86 -13.497 7.293 3.948 671 HA ALA 86 HA ALA 86 -12.351 7.360 6.536 672 1HB ALA 86 1HB ALA 86 -10.740 9.065 5.424 673 2HB ALA 86 2HB ALA 86 -11.672 8.761 3.958 674 3HB ALA 86 3HB ALA 86 -10.821 7.438 4.754 675 H LYS 87 HN LYS 87 -13.837 10.013 4.675 676 HA LYS 87 HA LYS 87 -13.387 12.051 6.636 677 1HB LYS 87 2HB LYS 87 -15.168 11.695 4.272 678 2HB LYS 87 1HB LYS 87 -15.614 12.944 5.433 679 1HG LYS 87 2HG LYS 87 -12.772 12.762 4.476 680 2HG LYS 87 1HG LYS 87 -13.985 13.537 3.455 681 1HD LYS 87 2HD LYS 87 -14.555 15.096 5.240 682 2HD LYS 87 1HD LYS 87 -13.452 14.277 6.347 683 1HE LYS 87 2HE LYS 87 -12.294 15.194 3.766 684 2HE LYS 87 1HE LYS 87 -12.730 16.452 4.921 685 1HZ LYS 87 1HE LYS 87 -10.669 14.407 5.091 686 2HZ LYS 87 2HE LYS 87 -11.509 14.738 6.530 687 3HZ LYS 87 3HE LYS 87 -10.689 15.983 5.716 688 H GLN 88 HN GLN 88 -15.813 9.554 6.320 689 HA GLN 88 HA GLN 88 -17.497 10.742 8.428 690 1HB GLN 88 2HB GLN 88 -17.727 8.408 6.568 691 2HB GLN 88 1HB GLN 88 -18.698 8.416 8.041 692 1HG GLN 88 2HG GLN 88 -19.886 10.325 7.410 693 2HG GLN 88 1HG GLN 88 -18.624 10.864 6.301 694 1HE2 GLN 88 1HE2 GLN 88 -19.086 10.489 4.133 695 2HE2 GLN 88 2HE2 GLN 88 -20.137 9.290 3.551 696 H HIS 89 HN HIS 89 -14.851 8.495 8.265 697 HA HIS 89 HA HIS 89 -15.653 7.252 10.834 698 1HB HIS 89 2HB HIS 89 -13.777 6.580 8.633 699 2HB HIS 89 1HB HIS 89 -13.260 6.123 10.258 700 HD1 HIS 89 HD1 HIS 89 -14.195 3.972 11.114 701 HD2 HIS 89 HD2 HIS 89 -16.565 5.577 8.084 702 HE1 HIS 89 HE1 HIS 89 -16.029 2.284 10.669 703 HA PRO 90 HA PRO 90 -12.951 10.286 12.831 704 1HB PRO 90 2HB PRO 90 -13.911 9.664 15.368 705 2HB PRO 90 1HB PRO 90 -14.589 10.890 14.287 706 1HG PRO 90 2HG PRO 90 -15.744 8.382 15.104 707 2HG PRO 90 1HG PRO 90 -16.464 9.663 14.119 708 1HD PRO 90 2HD PRO 90 -15.341 7.116 13.262 709 2HD PRO 90 1HD PRO 90 -16.290 8.287 12.332 710 H ASP 91 HN ASP 91 -12.818 6.972 12.799 711 HA ASP 91 HA ASP 91 -10.326 6.983 14.420 712 1HB ASP 91 2HB ASP 91 -12.677 5.115 14.763 713 2HB ASP 91 1HB ASP 91 -11.050 4.666 15.277 714 H GLN 92 HN GLN 92 -11.461 6.661 11.490 715 HA GLN 92 HA GLN 92 -9.481 4.600 10.726 716 1HB GLN 92 2HB GLN 92 -12.232 4.016 10.846 717 2HB GLN 92 1HB GLN 92 -11.909 4.320 9.140 718 1HG GLN 92 2HG GLN 92 -10.566 2.481 8.928 719 2HG GLN 92 1HG GLN 92 -9.916 2.645 10.557 720 1HE2 GLN 92 1HE2 GLN 92 -12.899 1.645 8.820 721 2HE2 GLN 92 2HE2 GLN 92 -13.407 0.548 10.012 722 H GLU 93 HN GLU 93 -8.199 6.012 9.478 723 HA GLU 93 HA GLU 93 -9.544 8.023 7.807 724 1HB GLU 93 2HB GLU 93 -6.673 7.410 8.503 725 2HB GLU 93 1HB GLU 93 -7.079 8.552 7.223 726 1HG GLU 93 HG2 GLU 93 -8.168 10.023 8.709 727 2HG GLU 93 HG1 GLU 93 -8.325 8.785 9.957 728 H LEU 94 HN LEU 94 -7.774 8.106 5.649 729 HA LEU 94 HA LEU 94 -8.585 5.637 4.192 730 1HB LEU 94 2HB LEU 94 -8.956 8.265 3.518 731 2HB LEU 94 1HB LEU 94 -7.463 7.898 2.657 732 HG LEU 94 HG LEU 94 -8.628 5.814 1.772 733 1HD1 LEU 94 1HD1 LEU 94 -11.033 5.723 1.892 734 2HD1 LEU 94 2HD1 LEU 94 -11.110 7.301 2.672 735 3HD1 LEU 94 3HD1 LEU 94 -10.440 5.919 3.539 736 1HD2 LEU 94 1HD2 LEU 94 -9.905 8.463 1.032 737 2HD2 LEU 94 2HD2 LEU 94 -9.726 7.048 -0.006 738 3HD2 LEU 94 3HD2 LEU 94 -8.302 7.961 0.493 739 H VAL 95 HN VAL 95 -6.980 4.148 3.995 740 HA VAL 95 HA VAL 95 -4.189 5.168 3.638 741 HB VAL 95 HB VAL 95 -5.029 2.566 4.959 742 1HG1 VAL 95 1HG1 VAL 95 -2.921 2.111 4.089 743 2HG1 VAL 95 2HG1 VAL 95 -2.488 2.816 5.647 744 3HG1 VAL 95 3HG1 VAL 95 -2.407 3.796 4.183 745 1HG2 VAL 95 1HG2 VAL 95 -3.984 3.720 6.984 746 2HG2 VAL 95 2HG2 VAL 95 -5.543 4.357 6.464 747 3HG2 VAL 95 3HG2 VAL 95 -4.059 5.216 6.053 748 H ILE 96 HN ILE 96 -3.268 4.570 1.752 749 HA ILE 96 HA ILE 96 -4.783 2.820 -0.059 750 HB ILE 96 HB ILE 96 -2.149 4.237 -0.533 751 1HG1 ILE 96 2HG1 ILE 96 -3.963 5.797 0.179 752 2HG1 ILE 96 1HG1 ILE 96 -3.477 6.051 -1.494 753 1HG2 ILE 96 1HG2 ILE 96 -3.062 4.125 -2.931 754 2HG2 ILE 96 2HG2 ILE 96 -4.223 2.950 -2.313 755 3HG2 ILE 96 3HG2 ILE 96 -2.495 2.610 -2.229 756 1HD1 ILE 96 1HD1 ILE 96 -5.395 4.831 -2.307 757 2HD1 ILE 96 2HD1 ILE 96 -5.969 6.028 -1.144 758 3HD1 ILE 96 3HD1 ILE 96 -5.830 4.334 -0.672 759 H ALA 97 HN ALA 97 -4.008 0.877 -0.922 760 HA ALA 97 HA ALA 97 -1.543 -0.233 0.345 761 1HB ALA 97 1HB ALA 97 -3.370 -2.335 -0.343 762 2HB ALA 97 2HB ALA 97 -4.215 -1.158 0.662 763 3HB ALA 97 3HB ALA 97 -2.732 -1.913 1.245 764 H GLY 98 HN GLY 98 -2.971 0.738 -2.470 765 1HA GLY 98 2HA GLY 98 -1.851 0.579 -4.586 766 2HA GLY 98 1HA GLY 98 -1.103 -0.923 -4.057 767 H GLY 99 HN GLY 99 -3.443 -2.324 -6.373 768 1HA GLY 99 2HA GLY 99 -0.693 -1.976 -5.588 769 2HA GLY 99 1HA GLY 99 -1.261 -2.531 -7.156 770 H ALA 100 HN ALA 100 -0.017 -1.270 -8.483 771 HA ALA 100 HA ALA 100 0.650 1.475 -8.048 772 1HB ALA 100 1HB ALA 100 0.396 0.423 -10.835 773 2HB ALA 100 2HB ALA 100 1.566 -0.344 -9.761 774 3HB ALA 100 3HB ALA 100 1.689 1.380 -10.111 775 H GLN 101 HN GLN 101 -2.011 -0.039 -9.847 776 HA GLN 101 HA GLN 101 -3.052 2.274 -11.080 777 1HB GLN 101 2HB GLN 101 -4.105 -0.375 -10.300 778 2HB GLN 101 1HB GLN 101 -5.327 0.886 -10.463 779 1HG GLN 101 2HG GLN 101 -3.271 0.769 -12.605 780 2HG GLN 101 1HG GLN 101 -4.431 -0.559 -12.563 781 1HE2 GLN 101 1HE2 GLN 101 -6.446 -0.149 -13.508 782 2HE2 GLN 101 2HE2 GLN 101 -7.033 1.395 -13.898 783 H ILE 102 HN ILE 102 -3.582 1.067 -7.736 784 HA ILE 102 HA ILE 102 -5.513 3.149 -7.159 785 HB ILE 102 HB ILE 102 -3.904 1.456 -5.229 786 1HG1 ILE 102 2HG1 ILE 102 -5.108 0.053 -6.869 787 2HG1 ILE 102 1HG1 ILE 102 -5.850 -0.071 -5.276 788 1HG2 ILE 102 1HG2 ILE 102 -5.169 3.512 -4.386 789 2HG2 ILE 102 2HG2 ILE 102 -5.602 1.977 -3.634 790 3HG2 ILE 102 3HG2 ILE 102 -6.647 2.680 -4.868 791 1HD1 ILE 102 1HD1 ILE 102 -7.610 1.471 -5.908 792 2HD1 ILE 102 2HD1 ILE 102 -7.516 0.207 -7.133 793 3HD1 ILE 102 3HD1 ILE 102 -6.827 1.797 -7.454 794 H PHE 103 HN PHE 103 -1.999 2.955 -7.029 795 HA PHE 103 HA PHE 103 -1.717 5.178 -5.186 796 1HB PHE 103 2HB PHE 103 0.193 3.870 -7.141 797 2HB PHE 103 1HB PHE 103 0.657 5.224 -6.113 798 HD1 PHE 103 HD1 PHE 103 1.464 2.084 -6.233 799 HD2 PHE 103 HD2 PHE 103 -0.918 4.543 -3.633 800 HE1 PHE 103 HE1 PHE 103 1.875 0.510 -4.361 801 HE2 PHE 103 HE2 PHE 103 -0.508 2.967 -1.767 802 HZ PHE 103 HZ PHE 103 0.888 0.951 -2.129 803 H THR 104 HN THR 104 -2.424 4.878 -8.554 804 HA THR 104 HA THR 104 -1.502 7.574 -9.240 805 HB THR 104 HB THR 104 -3.447 5.969 -10.887 806 HG1 THR 104 HG1 THR 104 -0.635 5.621 -10.788 807 1HG2 THR 104 1HG2 THR 104 -2.258 7.042 -12.729 808 2HG2 THR 104 2HG2 THR 104 -1.093 7.738 -11.603 809 3HG2 THR 104 3HG2 THR 104 -2.774 8.269 -11.571 810 H ALA 105 HN ALA 105 -4.680 5.987 -8.763 811 HA ALA 105 HA ALA 105 -6.220 8.354 -9.194 812 1HB ALA 105 1HB ALA 105 -7.929 6.924 -8.898 813 2HB ALA 105 2HB ALA 105 -7.443 6.604 -7.233 814 3HB ALA 105 3HB ALA 105 -6.740 5.669 -8.554 815 H PHE 106 HN PHE 106 -4.585 7.163 -6.281 816 HA PHE 106 HA PHE 106 -5.815 9.386 -4.721 817 1HB PHE 106 2HB PHE 106 -4.279 6.925 -3.870 818 2HB PHE 106 1HB PHE 106 -4.834 8.170 -2.752 819 HD1 PHE 106 HD1 PHE 106 -7.077 8.224 -1.997 820 HD2 PHE 106 HD2 PHE 106 -5.999 5.721 -5.312 821 HE1 PHE 106 HE1 PHE 106 -9.315 7.163 -1.925 822 HE2 PHE 106 HE2 PHE 106 -8.236 4.659 -5.241 823 HZ PHE 106 HZ PHE 106 -9.895 5.381 -3.547 824 H LYS 107 HN LYS 107 -2.945 8.843 -6.399 825 HA LYS 107 HA LYS 107 -0.998 9.865 -4.588 826 1HB LYS 107 2HB LYS 107 0.214 10.666 -6.718 827 2HB LYS 107 1HB LYS 107 -0.091 8.941 -6.546 828 1HG LYS 107 2HG LYS 107 -1.996 9.064 -7.996 829 2HG LYS 107 1HG LYS 107 -1.919 10.823 -8.051 830 1HD LYS 107 2HD LYS 107 0.506 9.287 -8.879 831 2HD LYS 107 1HD LYS 107 -0.862 9.321 -9.989 832 1HE LYS 107 2HE LYS 107 -0.038 11.914 -8.773 833 2HE LYS 107 1HE LYS 107 1.024 11.228 -10.003 834 1HZ LYS 107 1HE LYS 107 -0.400 12.296 -11.364 835 2HZ LYS 107 2HE LYS 107 -1.683 12.266 -10.251 836 3HZ LYS 107 3HE LYS 107 -1.323 10.886 -11.174 837 H ASP 108 HN ASP 108 -3.299 11.659 -6.662 838 HA ASP 108 HA ASP 108 -2.071 14.224 -6.194 839 1HB ASP 108 2HB ASP 108 -3.939 13.384 -7.919 840 2HB ASP 108 1HB ASP 108 -5.008 14.019 -6.668 841 H ASP 109 HN ASP 109 -4.638 12.409 -4.540 842 HA ASP 109 HA ASP 109 -4.785 14.576 -2.490 843 1HB ASP 109 2HB ASP 109 -6.661 12.385 -3.351 844 2HB ASP 109 1HB ASP 109 -6.810 13.088 -1.740 845 H VAL 110 HN VAL 110 -2.758 13.905 -1.445 846 HA VAL 110 HA VAL 110 -3.072 11.355 0.085 847 HB VAL 110 HB VAL 110 -0.490 12.599 -0.910 848 1HG1 VAL 110 1HG1 VAL 110 0.438 10.370 -0.177 849 2HG1 VAL 110 2HG1 VAL 110 -1.118 10.036 0.583 850 3HG1 VAL 110 3HG1 VAL 110 -0.130 11.382 1.150 851 1HG2 VAL 110 1HG2 VAL 110 -1.184 9.937 -1.871 852 2HG2 VAL 110 2HG2 VAL 110 -0.691 11.359 -2.789 853 3HG2 VAL 110 3HG2 VAL 110 -2.383 11.131 -2.346 854 H ASP 111 HN ASP 111 -1.957 11.376 2.180 855 HA ASP 111 HA ASP 111 -1.501 14.101 3.303 856 1HB ASP 111 2HB ASP 111 -3.649 12.263 3.953 857 2HB ASP 111 1HB ASP 111 -2.636 12.552 5.369 858 H THR 112 HN THR 112 -0.894 10.632 3.415 859 HA THR 112 HA THR 112 1.620 11.198 4.901 860 HB THR 112 HB THR 112 -0.081 8.804 5.598 861 HG1 THR 112 HG1 THR 112 -1.347 10.521 6.142 862 1HG2 THR 112 1HG2 THR 112 1.913 10.278 7.311 863 2HG2 THR 112 2HG2 THR 112 2.427 9.044 6.159 864 3HG2 THR 112 3HG2 THR 112 1.335 8.620 7.477 865 H LEU 113 HN LEU 113 3.313 9.809 4.317 866 HA LEU 113 HA LEU 113 2.668 7.813 2.178 867 1HB LEU 113 2HB LEU 113 5.163 9.530 2.324 868 2HB LEU 113 1HB LEU 113 4.751 8.386 1.049 869 HG LEU 113 HG LEU 113 2.852 10.616 1.733 870 1HD1 LEU 113 1HD1 LEU 113 5.206 11.519 1.301 871 2HD1 LEU 113 2HD1 LEU 113 3.943 12.112 0.221 872 3HD1 LEU 113 3HD1 LEU 113 5.056 10.857 -0.327 873 1HD2 LEU 113 1HD2 LEU 113 3.424 8.792 -0.595 874 2HD2 LEU 113 2HD2 LEU 113 2.555 10.307 -0.846 875 3HD2 LEU 113 3HD2 LEU 113 1.895 9.080 0.235 876 H LEU 114 HN LEU 114 3.327 5.781 2.668 877 HA LEU 114 HA LEU 114 5.497 5.460 4.699 878 1HB LEU 114 2HB LEU 114 3.216 3.511 4.292 879 2HB LEU 114 1HB LEU 114 4.346 3.592 5.642 880 HG LEU 114 HG LEU 114 2.494 5.891 5.007 881 1HD1 LEU 114 1HD1 LEU 114 1.321 3.606 5.409 882 2HD1 LEU 114 2HD1 LEU 114 0.800 4.993 6.365 883 3HD1 LEU 114 3HD1 LEU 114 1.876 3.789 7.073 884 1HD2 LEU 114 1HD2 LEU 114 3.597 6.806 6.744 885 2HD2 LEU 114 2HD2 LEU 114 4.556 5.339 6.934 886 3HD2 LEU 114 3HD2 LEU 114 3.018 5.503 7.780 887 H VAL 115 HN VAL 115 7.206 4.782 3.563 888 HA VAL 115 HA VAL 115 6.769 2.620 1.531 889 HB VAL 115 HB VAL 115 7.179 4.769 0.417 890 1HG1 VAL 115 1HG1 VAL 115 8.806 5.342 2.513 891 2HG1 VAL 115 2HG1 VAL 115 8.864 6.196 0.972 892 3HG1 VAL 115 3HG1 VAL 115 10.000 4.886 1.299 893 1HG2 VAL 115 1HG2 VAL 115 8.411 3.735 -1.183 894 2HG2 VAL 115 2HG2 VAL 115 8.410 2.353 -0.093 895 3HG2 VAL 115 3HG2 VAL 115 9.771 3.475 -0.092 896 H THR 116 HN THR 116 8.210 0.955 1.488 897 HA THR 116 HA THR 116 10.335 0.974 3.582 898 HB THR 116 HB THR 116 9.261 -1.476 2.176 899 HG1 THR 116 HG1 THR 116 7.799 -1.690 3.823 900 1HG2 THR 116 1HG2 THR 116 11.453 -1.407 3.535 901 2HG2 THR 116 2HG2 THR 116 10.287 -2.670 3.934 902 3HG2 THR 116 3HG2 THR 116 10.414 -1.233 4.949 903 H ARG 117 HN ARG 117 12.327 1.390 2.692 904 HA ARG 117 HA ARG 117 12.793 0.676 -0.150 905 1HB ARG 117 2HB ARG 117 14.340 2.339 1.851 906 2HB ARG 117 1HB ARG 117 14.978 1.932 0.258 907 1HG ARG 117 2HG ARG 117 12.574 2.831 -0.507 908 2HG ARG 117 1HG ARG 117 12.726 3.749 0.991 909 1HD ARG 117 2HD ARG 117 15.168 4.219 0.036 910 2HD ARG 117 1HD ARG 117 14.369 3.908 -1.502 911 HE ARG 117 HE ARG 117 13.679 6.112 0.381 912 1HH1 ARG 117 1HH2 ARG 117 13.332 4.514 -2.692 913 2HH1 ARG 117 2HH2 ARG 117 12.509 5.848 -3.417 914 1HH2 ARG 117 1HH1 ARG 117 12.605 7.828 -0.584 915 2HH2 ARG 117 2HH1 ARG 117 12.098 7.710 -2.236 916 H LEU 118 HN LEU 118 13.549 -1.361 -0.504 917 HA LEU 118 HA LEU 118 15.028 -2.802 1.593 918 1HB LEU 118 2HB LEU 118 14.257 -3.590 -1.234 919 2HB LEU 118 1HB LEU 118 15.073 -4.656 -0.094 920 HG LEU 118 HG LEU 118 13.086 -4.070 1.496 921 1HD1 LEU 118 1HD1 LEU 118 11.080 -3.904 -0.393 922 2HD1 LEU 118 2HD1 LEU 118 12.311 -2.827 -1.046 923 3HD1 LEU 118 3HD1 LEU 118 11.674 -2.555 0.575 924 1HD2 LEU 118 1HD2 LEU 118 13.424 -6.037 -0.634 925 2HD2 LEU 118 2HD2 LEU 118 11.719 -5.744 -0.291 926 3HD2 LEU 118 3HD2 LEU 118 12.803 -6.261 1.002 927 H ALA 119 HN ALA 119 17.195 -3.672 1.222 928 HA ALA 119 HA ALA 119 18.908 -1.749 -0.181 929 1HB ALA 119 1HB ALA 119 19.238 -3.331 2.058 930 2HB ALA 119 2HB ALA 119 20.536 -2.494 1.207 931 3HB ALA 119 3HB ALA 119 20.191 -4.185 0.844 932 H GLY 120 HN GLY 120 17.647 -4.977 -0.742 933 1HA GLY 120 2HA GLY 120 19.561 -5.630 -2.839 934 2HA GLY 120 1HA GLY 120 18.073 -6.508 -2.486 935 H SER 121 HN SER 121 18.694 -6.090 -5.127 936 HA SER 121 HA SER 121 16.733 -3.973 -5.919 937 1HB SER 121 2HB SER 121 18.064 -3.515 -7.893 938 2HB SER 121 1HB SER 121 19.111 -3.393 -6.482 939 HG SER 121 HG SER 121 19.718 -4.749 -8.470 940 H PHE 122 HN PHE 122 14.976 -4.907 -6.811 941 HA PHE 122 HA PHE 122 15.318 -7.532 -8.200 942 1HB PHE 122 2HB PHE 122 12.780 -6.382 -7.006 943 2HB PHE 122 1HB PHE 122 13.022 -8.023 -7.610 944 HD1 PHE 122 HD1 PHE 122 13.999 -9.710 -6.240 945 HD2 PHE 122 HD2 PHE 122 14.135 -5.596 -5.013 946 HE1 PHE 122 HE1 PHE 122 14.863 -10.400 -4.019 947 HE2 PHE 122 HE2 PHE 122 14.996 -6.285 -2.792 948 HZ PHE 122 HZ PHE 122 15.361 -8.687 -2.294 949 H GLU 123 HN GLU 123 13.820 -7.876 -10.069 950 HA GLU 123 HA GLU 123 13.351 -5.299 -11.522 951 1HB GLU 123 2HB GLU 123 13.686 -6.641 -13.614 952 2HB GLU 123 1HB GLU 123 15.125 -6.553 -12.599 953 1HG GLU 123 HG2 GLU 123 13.423 -8.804 -11.861 954 2HG GLU 123 HG1 GLU 123 13.921 -8.887 -13.551 955 H GLY 124 HN GLY 124 11.589 -5.454 -13.186 956 1HA GLY 124 2HA GLY 124 9.635 -7.495 -13.275 957 2HA GLY 124 1HA GLY 124 9.137 -6.357 -12.020 958 H ASP 125 HN ASP 125 7.316 -5.548 -13.275 959 HA ASP 125 HA ASP 125 8.166 -3.737 -15.474 960 1HB ASP 125 2HB ASP 125 5.818 -5.656 -15.489 961 2HB ASP 125 1HB ASP 125 6.008 -4.335 -16.642 962 H THR 126 HN THR 126 6.490 -4.264 -12.574 963 HA THR 126 HA THR 126 4.913 -1.750 -12.922 964 HB THR 126 HB THR 126 4.432 -3.732 -10.712 965 HG1 THR 126 HG1 THR 126 3.233 -3.828 -13.274 966 1HG2 THR 126 1HG2 THR 126 3.050 -1.437 -11.982 967 2HG2 THR 126 2HG2 THR 126 3.044 -1.969 -10.301 968 3HG2 THR 126 3HG2 THR 126 2.026 -2.785 -11.487 969 H LYS 127 HN LYS 127 5.773 -0.050 -11.865 970 HA LYS 127 HA LYS 127 7.322 -0.582 -9.365 971 1HB LYS 127 2HB LYS 127 7.990 1.395 -11.566 972 2HB LYS 127 1HB LYS 127 8.837 1.279 -10.023 973 1HG LYS 127 2HG LYS 127 10.051 -0.488 -10.726 974 2HG LYS 127 1HG LYS 127 8.611 -1.326 -11.304 975 1HD LYS 127 2HD LYS 127 8.813 0.595 -13.201 976 2HD LYS 127 1HD LYS 127 10.516 0.404 -12.785 977 1HE LYS 127 2HE LYS 127 9.294 -2.196 -12.977 978 2HE LYS 127 1HE LYS 127 8.947 -1.279 -14.443 979 1HZ LYS 127 1HE LYS 127 11.130 -2.594 -14.297 980 2HZ LYS 127 2HE LYS 127 11.668 -1.320 -13.310 981 3HZ LYS 127 3HE LYS 127 11.179 -1.013 -14.908 982 H MET 128 HN MET 128 7.517 1.461 -8.027 983 HA MET 128 HA MET 128 4.925 2.506 -7.461 984 1HB MET 128 2HB MET 128 7.282 2.430 -6.116 985 2HB MET 128 1HB MET 128 7.256 4.122 -6.612 986 1HG MET 128 2HG MET 128 4.773 2.911 -5.452 987 2HG MET 128 1HG MET 128 6.080 3.386 -4.378 988 1HE MET 128 1HE MET 128 3.942 4.913 -3.396 989 2HE MET 128 2HE MET 128 3.010 4.344 -4.779 990 3HE MET 128 3HE MET 128 3.092 6.069 -4.431 991 H ILE 129 HN ILE 129 4.073 4.593 -7.791 992 HA ILE 129 HA ILE 129 4.746 5.834 -10.323 993 HB ILE 129 HB ILE 129 2.973 7.476 -9.619 994 1HG1 ILE 129 2HG1 ILE 129 2.312 5.806 -7.256 995 2HG1 ILE 129 1HG1 ILE 129 3.724 6.848 -7.084 996 1HG2 ILE 129 1HG2 ILE 129 1.340 6.001 -10.216 997 2HG2 ILE 129 2HG2 ILE 129 1.764 4.865 -8.935 998 3HG2 ILE 129 3HG2 ILE 129 2.690 4.888 -10.435 999 1HD1 ILE 129 1HD1 ILE 129 0.874 7.630 -7.655 1000 2HD1 ILE 129 2HD1 ILE 129 2.208 8.708 -8.064 1001 3HD1 ILE 129 3HD1 ILE 129 1.947 8.224 -6.388 1002 HA PRO 130 HA PRO 130 7.468 9.081 -9.002 1003 1HB PRO 130 2HB PRO 130 6.249 11.260 -10.340 1004 2HB PRO 130 1HB PRO 130 7.527 10.207 -10.960 1005 1HG PRO 130 2HG PRO 130 4.842 10.369 -11.853 1006 2HG PRO 130 1HG PRO 130 6.090 9.231 -12.383 1007 1HD PRO 130 2HD PRO 130 3.820 8.785 -10.588 1008 2HD PRO 130 1HD PRO 130 4.833 7.601 -11.430 1009 H LEU 131 HN LEU 131 7.112 9.425 -6.788 1010 HA LEU 131 HA LEU 131 4.824 11.076 -5.918 1011 1HB LEU 131 2HB LEU 131 6.943 9.448 -4.558 1012 2HB LEU 131 1HB LEU 131 6.135 10.721 -3.641 1013 HG LEU 131 HG LEU 131 4.591 8.658 -5.217 1014 1HD1 LEU 131 1HD1 LEU 131 5.763 8.510 -2.446 1015 2HD1 LEU 131 2HD1 LEU 131 5.716 7.269 -3.698 1016 3HD1 LEU 131 3HD1 LEU 131 4.248 7.685 -2.814 1017 1HD2 LEU 131 1HD2 LEU 131 2.746 9.635 -4.303 1018 2HD2 LEU 131 2HD2 LEU 131 3.814 11.015 -4.048 1019 3HD2 LEU 131 3HD2 LEU 131 3.529 9.867 -2.739 1020 H ASN 132 HN ASN 132 5.146 13.087 -4.724 1021 HA ASN 132 HA ASN 132 7.504 14.577 -5.718 1022 1HB ASN 132 2HB ASN 132 4.751 15.221 -5.118 1023 2HB ASN 132 1HB ASN 132 5.825 16.292 -4.219 1024 1HD2 ASN 132 1HD2 ASN 132 7.320 17.654 -5.470 1025 2HD2 ASN 132 2HD2 ASN 132 7.065 17.934 -7.125 1026 H TRP 133 HN TRP 133 8.757 13.167 -4.078 1027 HA TRP 133 HA TRP 133 8.570 13.408 -1.291 1028 1HB TRP 133 2HB TRP 133 11.169 13.406 -2.853 1029 2HB TRP 133 1HB TRP 133 10.922 12.833 -1.202 1030 HD1 TRP 133 HD1 TRP 133 10.830 11.707 -4.734 1031 HE1 TRP 133 HE1 TRP 133 9.871 9.319 -4.889 1032 HE3 TRP 133 HE3 TRP 133 9.003 11.183 0.002 1033 HZ2 TRP 133 HZ2 TRP 133 8.508 7.437 -3.222 1034 HZ3 TRP 133 HZ3 TRP 133 7.880 9.086 0.692 1035 HH2 TRP 133 HH2 TRP 133 7.631 7.215 -0.914 1036 H ASP 134 HN ASP 134 9.744 15.759 -3.615 1037 HA ASP 134 HA ASP 134 11.106 17.482 -1.772 1038 1HB ASP 134 2HB ASP 134 10.733 17.453 -4.496 1039 2HB ASP 134 1HB ASP 134 9.736 18.824 -4.008 1040 H ASP 135 HN ASP 135 7.710 17.007 -2.475 1041 HA ASP 135 HA ASP 135 6.975 19.487 -1.030 1042 1HB ASP 135 2HB ASP 135 5.804 17.995 -3.126 1043 2HB ASP 135 1HB ASP 135 4.726 17.814 -1.742 1044 H PHE 136 HN PHE 136 7.522 16.200 -0.347 1045 HA PHE 136 HA PHE 136 5.851 16.390 2.133 1046 1HB PHE 136 2HB PHE 136 6.727 14.012 0.484 1047 2HB PHE 136 1HB PHE 136 6.157 13.836 2.143 1048 HD1 PHE 136 HD1 PHE 136 5.205 15.176 -1.207 1049 HD2 PHE 136 HD2 PHE 136 3.846 13.840 2.642 1050 HE1 PHE 136 HE1 PHE 136 2.861 15.248 -2.010 1051 HE2 PHE 136 HE2 PHE 136 1.501 13.913 1.839 1052 HZ PHE 136 HZ PHE 136 1.009 14.616 -0.488 1053 H THR 137 HN THR 137 6.888 15.236 4.057 1054 HA THR 137 HA THR 137 9.859 15.197 3.867 1055 HB THR 137 HB THR 137 8.459 16.462 6.223 1056 HG1 THR 137 HG1 THR 137 7.897 17.757 4.539 1057 1HG2 THR 137 1HG2 THR 137 10.956 15.609 6.076 1058 2HG2 THR 137 2HG2 THR 137 10.586 17.148 6.854 1059 3HG2 THR 137 3HG2 THR 137 11.196 17.120 5.199 1060 H LYS 138 HN LYS 138 10.685 13.417 4.880 1061 HA LYS 138 HA LYS 138 8.906 11.458 6.024 1062 1HB LYS 138 2HB LYS 138 11.271 11.189 4.883 1063 2HB LYS 138 1HB LYS 138 11.863 11.403 6.531 1064 1HG LYS 138 2HG LYS 138 9.775 9.607 6.848 1065 2HG LYS 138 1HG LYS 138 10.504 9.103 5.325 1066 1HD LYS 138 2HD LYS 138 12.063 9.589 7.877 1067 2HD LYS 138 1HD LYS 138 11.529 8.001 7.329 1068 1HE LYS 138 2HE LYS 138 13.292 7.846 5.942 1069 2HE LYS 138 1HE LYS 138 12.843 9.360 5.157 1070 1HZ LYS 138 1HE LYS 138 14.125 9.480 7.788 1071 2HZ LYS 138 2HE LYS 138 14.210 10.573 6.490 1072 3HZ LYS 138 3HE LYS 138 15.093 9.123 6.443 1073 H VAL 139 HN VAL 139 8.095 11.485 8.042 1074 HA VAL 139 HA VAL 139 9.336 13.255 10.069 1075 HB VAL 139 HB VAL 139 7.235 12.777 11.355 1076 1HG1 VAL 139 1HG1 VAL 139 7.632 14.494 9.285 1077 2HG1 VAL 139 2HG1 VAL 139 6.139 14.431 10.220 1078 3HG1 VAL 139 3HG1 VAL 139 6.249 13.584 8.677 1079 1HG2 VAL 139 1HG2 VAL 139 5.932 11.632 8.957 1080 2HG2 VAL 139 2HG2 VAL 139 5.703 11.233 10.660 1081 3HG2 VAL 139 3HG2 VAL 139 7.064 10.551 9.770 1082 H SER 140 HN SER 140 8.923 9.862 9.349 1083 HA SER 140 HA SER 140 10.544 9.230 11.752 1084 1HB SER 140 2HB SER 140 7.737 8.386 11.272 1085 2HB SER 140 1HB SER 140 8.837 7.135 11.845 1086 HG SER 140 HG SER 140 9.220 8.294 13.654 1087 H SER 141 HN SER 141 11.956 7.543 11.397 1088 HA SER 141 HA SER 141 11.566 5.816 9.025 1089 1HB SER 141 2HB SER 141 14.314 6.533 9.015 1090 2HB SER 141 1HB SER 141 13.109 6.875 7.779 1091 HG SER 141 HG SER 141 13.632 8.429 10.103 1092 H ARG 142 HN ARG 142 12.164 3.734 9.522 1093 HA ARG 142 HA ARG 142 14.021 3.336 11.832 1094 1HB ARG 142 2HB ARG 142 11.335 2.749 11.874 1095 2HB ARG 142 1HB ARG 142 12.019 1.222 11.319 1096 1HG ARG 142 2HG ARG 142 12.386 0.803 13.514 1097 2HG ARG 142 1HG ARG 142 13.743 1.919 13.351 1098 1HD ARG 142 2HD ARG 142 12.349 2.593 15.250 1099 2HD ARG 142 1HD ARG 142 12.239 3.800 13.971 1100 HE ARG 142 HE ARG 142 9.973 3.190 13.634 1101 1HH1 ARG 142 1HH2 ARG 142 11.623 0.928 15.693 1102 2HH1 ARG 142 2HH2 ARG 142 10.169 0.116 16.158 1103 1HH2 ARG 142 1HH1 ARG 142 8.095 2.119 14.243 1104 2HH2 ARG 142 2HH1 ARG 142 8.183 0.784 15.342 1105 H THR 143 HN THR 143 15.787 2.083 11.230 1106 HA THR 143 HA THR 143 15.564 0.606 8.647 1107 HB THR 143 HB THR 143 18.134 1.234 10.099 1108 HG1 THR 143 HG1 THR 143 17.304 3.220 9.841 1109 1HG2 THR 143 1HG2 THR 143 18.639 1.407 7.451 1110 2HG2 THR 143 2HG2 THR 143 17.289 0.274 7.421 1111 3HG2 THR 143 3HG2 THR 143 18.739 -0.108 8.348 1112 H VAL 144 HN VAL 144 15.627 -1.604 8.707 1113 HA VAL 144 HA VAL 144 16.725 -2.889 11.169 1114 HB VAL 144 HB VAL 144 14.257 -2.929 11.249 1115 1HG1 VAL 144 1HG1 VAL 144 12.968 -3.419 9.454 1116 2HG1 VAL 144 2HG1 VAL 144 13.958 -4.812 9.018 1117 3HG1 VAL 144 3HG1 VAL 144 14.436 -3.194 8.503 1118 1HG2 VAL 144 1HG2 VAL 144 13.996 -5.404 11.434 1119 2HG2 VAL 144 2HG2 VAL 144 15.473 -4.827 12.205 1120 3HG2 VAL 144 3HG2 VAL 144 15.550 -5.604 10.623 1121 H GLU 145 HN GLU 145 18.145 -4.509 10.755 1122 HA GLU 145 HA GLU 145 18.729 -5.170 7.941 1123 1HB GLU 145 2HB GLU 145 20.684 -6.388 8.936 1124 2HB GLU 145 1HB GLU 145 20.628 -4.681 9.378 1125 1HG GLU 145 HG2 GLU 145 19.758 -5.181 11.555 1126 2HG GLU 145 HG1 GLU 145 19.451 -6.862 11.116 1127 H ASP 146 HN ASP 146 19.027 -7.468 7.317 1128 HA ASP 146 HA ASP 146 17.403 -9.378 8.926 1129 1HB ASP 146 2HB ASP 146 16.427 -8.136 6.629 1130 2HB ASP 146 1HB ASP 146 16.984 -9.706 6.052 1131 H THR 147 HN THR 147 17.885 -11.638 8.419 1132 HA THR 147 HA THR 147 20.625 -12.221 8.065 1133 HB THR 147 HB THR 147 19.716 -14.587 7.545 1134 HG1 THR 147 HG1 THR 147 17.706 -14.388 6.909 1135 1HG2 THR 147 1HG2 THR 147 20.052 -13.163 9.897 1136 2HG2 THR 147 2HG2 THR 147 19.780 -14.901 9.783 1137 3HG2 THR 147 3HG2 THR 147 18.420 -13.812 10.054 1138 H ASN 148 HN ASN 148 18.318 -11.384 5.693 1139 HA ASN 148 HA ASN 148 20.014 -12.592 3.549 1140 1HB ASN 148 2HB ASN 148 17.181 -12.438 3.871 1141 2HB ASN 148 1HB ASN 148 17.621 -11.463 2.469 1142 1HD2 ASN 148 1HD2 ASN 148 17.454 -12.725 0.618 1143 2HD2 ASN 148 2HD2 ASN 148 17.950 -14.344 0.492 1144 HA PRO 149 HA PRO 149 21.868 -8.600 2.887 1145 1HB PRO 149 2HB PRO 149 22.177 -9.292 0.086 1146 2HB PRO 149 1HB PRO 149 23.419 -9.142 1.336 1147 1HG PRO 149 2HG PRO 149 22.307 -11.533 0.202 1148 2HG PRO 149 1HG PRO 149 23.606 -11.377 1.392 1149 1HD PRO 149 2HD PRO 149 21.040 -12.396 1.874 1150 2HD PRO 149 1HD PRO 149 22.225 -11.922 3.101 1151 H ALA 150 HN ALA 150 19.710 -9.847 0.310 1152 HA ALA 150 HA ALA 150 18.939 -7.138 -0.466 1153 1HB ALA 150 1HB ALA 150 17.884 -9.861 -1.278 1154 2HB ALA 150 2HB ALA 150 19.018 -8.855 -2.179 1155 3HB ALA 150 3HB ALA 150 17.342 -8.339 -1.985 1156 H LEU 151 HN LEU 151 17.619 -9.665 1.617 1157 HA LEU 151 HA LEU 151 14.959 -8.593 1.770 1158 1HB LEU 151 2HB LEU 151 16.546 -10.382 3.618 1159 2HB LEU 151 1HB LEU 151 14.867 -9.962 3.912 1160 HG LEU 151 HG LEU 151 15.950 -11.383 1.459 1161 1HD1 LEU 151 1HD1 LEU 151 14.812 -12.261 4.015 1162 2HD1 LEU 151 2HD1 LEU 151 15.685 -13.191 2.797 1163 3HD1 LEU 151 3HD1 LEU 151 13.953 -12.917 2.621 1164 1HD2 LEU 151 1HD2 LEU 151 13.161 -10.426 2.167 1165 2HD2 LEU 151 2HD2 LEU 151 13.489 -11.608 0.902 1166 3HD2 LEU 151 3HD2 LEU 151 14.120 -9.969 0.760 1167 H THR 152 HN THR 152 17.797 -7.159 2.797 1168 HA THR 152 HA THR 152 16.997 -6.126 5.371 1169 HB THR 152 HB THR 152 18.782 -4.711 3.373 1170 HG1 THR 152 HG1 THR 152 19.221 -7.001 4.941 1171 1HG2 THR 152 1HG2 THR 152 18.074 -4.362 6.168 1172 2HG2 THR 152 2HG2 THR 152 18.989 -3.291 5.107 1173 3HG2 THR 152 3HG2 THR 152 19.812 -4.586 5.976 1174 H HIS 153 HN HIS 153 15.887 -4.108 5.817 1175 HA HIS 153 HA HIS 153 15.019 -2.482 3.525 1176 1HB HIS 153 2HB HIS 153 12.587 -2.823 4.038 1177 2HB HIS 153 1HB HIS 153 13.386 -4.232 3.352 1178 HD1 HIS 153 HD1 HIS 153 14.498 -5.820 5.464 1179 HD2 HIS 153 HD2 HIS 153 11.069 -3.564 6.198 1180 HE1 HIS 153 HE1 HIS 153 13.384 -6.849 7.492 1181 H THR 154 HN THR 154 13.817 -0.582 4.162 1182 HA THR 154 HA THR 154 14.095 0.126 7.055 1183 HB THR 154 HB THR 154 14.533 2.065 4.773 1184 HG1 THR 154 HG1 THR 154 16.206 0.133 5.801 1185 1HG2 THR 154 1HG2 THR 154 15.852 2.359 7.403 1186 2HG2 THR 154 2HG2 THR 154 14.097 2.520 7.408 1187 3HG2 THR 154 3HG2 THR 154 15.074 3.574 6.388 1188 H TYR 155 HN TYR 155 12.420 1.587 7.820 1189 HA TYR 155 HA TYR 155 10.050 1.697 6.002 1190 1HB TYR 155 2HB TYR 155 10.141 2.000 9.017 1191 2HB TYR 155 1HB TYR 155 8.701 1.849 8.016 1192 HD1 TYR 155 HD1 TYR 155 8.621 -0.303 6.472 1193 HD2 TYR 155 HD2 TYR 155 11.032 0.091 10.008 1194 HE1 TYR 155 HE1 TYR 155 8.744 -2.774 6.664 1195 HE2 TYR 155 HE2 TYR 155 11.159 -2.378 10.196 1196 HH TYR 155 HH TYR 155 9.832 -4.492 7.695 1197 H GLU 156 HN GLU 156 9.536 3.717 5.215 1198 HA GLU 156 HA GLU 156 10.509 6.071 6.785 1199 1HB GLU 156 2HB GLU 156 10.082 5.877 3.790 1200 2HB GLU 156 1HB GLU 156 10.727 7.265 4.663 1201 1HG GLU 156 HG2 GLU 156 12.518 5.607 5.546 1202 2HG GLU 156 HG1 GLU 156 12.000 4.568 4.215 1203 H VAL 157 HN VAL 157 8.933 7.405 7.518 1204 HA VAL 157 HA VAL 157 6.214 7.204 6.273 1205 HB VAL 157 HB VAL 157 6.946 8.002 9.110 1206 1HG1 VAL 157 1HG1 VAL 157 4.839 8.775 9.244 1207 2HG1 VAL 157 2HG1 VAL 157 4.227 7.184 8.792 1208 3HG1 VAL 157 3HG1 VAL 157 4.576 8.382 7.545 1209 1HG2 VAL 157 1HG2 VAL 157 6.325 5.403 7.814 1210 2HG2 VAL 157 2HG2 VAL 157 5.492 5.721 9.336 1211 3HG2 VAL 157 3HG2 VAL 157 7.254 5.739 9.275 1212 H TRP 158 HN TRP 158 5.537 9.069 5.270 1213 HA TRP 158 HA TRP 158 6.979 11.592 5.987 1214 1HB TRP 158 2HB TRP 158 5.626 10.885 3.374 1215 2HB TRP 158 1HB TRP 158 6.517 12.364 3.712 1216 HD1 TRP 158 HD1 TRP 158 7.245 8.559 3.968 1217 HE1 TRP 158 HE1 TRP 158 9.650 8.160 3.127 1218 HE3 TRP 158 HE3 TRP 158 8.606 13.358 2.886 1219 HZ2 TRP 158 HZ2 TRP 158 11.859 9.679 2.125 1220 HZ3 TRP 158 HZ3 TRP 158 10.862 13.855 1.989 1221 HH2 TRP 158 HH2 TRP 158 12.489 12.023 1.608 1222 H GLN 159 HN GLN 159 5.701 13.587 5.613 1223 HA GLN 159 HA GLN 159 2.766 13.256 5.947 1224 1HB GLN 159 2HB GLN 159 4.671 14.673 7.808 1225 2HB GLN 159 1HB GLN 159 3.009 15.242 7.644 1226 1HG GLN 159 2HG GLN 159 2.158 13.029 8.256 1227 2HG GLN 159 1HG GLN 159 3.803 12.400 8.345 1228 1HE2 GLN 159 1HE2 GLN 159 2.465 15.513 9.576 1229 2HE2 GLN 159 2HE2 GLN 159 2.916 15.238 11.189 1230 H LYS 160 HN LYS 160 1.606 14.985 4.914 1231 HA LYS 160 HA LYS 160 3.141 16.479 2.957 1232 1HB LYS 160 2HB LYS 160 0.778 15.547 2.673 1233 2HB LYS 160 1HB LYS 160 0.234 16.892 3.674 1234 1HG LYS 160 2HG LYS 160 1.621 18.356 2.003 1235 2HG LYS 160 1HG LYS 160 1.474 16.958 0.937 1236 1HD LYS 160 2HD LYS 160 -0.926 17.053 1.005 1237 2HD LYS 160 1HD LYS 160 -0.900 18.252 2.299 1238 1HE LYS 160 2HE LYS 160 -1.293 19.546 0.369 1239 2HE LYS 160 1HE LYS 160 0.442 19.715 0.628 1240 1HZ LYS 160 1HE LYS 160 -0.887 18.672 -1.607 1241 2HZ LYS 160 2HE LYS 160 0.018 17.417 -0.905 1242 3HZ LYS 160 3HE LYS 160 0.781 18.862 -1.369 1243 H LYS 161 HN LYS 161 3.892 18.531 3.128 1244 HA LYS 161 HA LYS 161 3.214 20.054 5.597 1245 1HB LYS 161 2HB LYS 161 5.444 20.525 3.594 1246 2HB LYS 161 1HB LYS 161 5.245 21.334 5.149 1247 1HG LYS 161 2HG LYS 161 5.498 18.331 4.917 1248 2HG LYS 161 1HG LYS 161 6.902 19.383 5.098 1249 1HD LYS 161 2HD LYS 161 5.028 20.229 7.046 1250 2HD LYS 161 1HD LYS 161 5.057 18.468 7.123 1251 1HE LYS 161 2HE LYS 161 7.052 18.511 8.161 1252 2HE LYS 161 1HE LYS 161 7.753 19.441 6.837 1253 1HZ LYS 161 1HE LYS 161 7.422 20.359 9.338 1254 2HZ LYS 161 2HE LYS 161 6.022 20.957 8.586 1255 3HZ LYS 161 3HE LYS 161 7.555 21.346 7.966 1256 H ALA 162 HN ALA 162 3.348 22.558 5.125 1257 HA ALA 162 HA ALA 162 1.695 23.104 2.686 1258 1HB ALA 162 1HB ALA 162 0.405 24.669 3.904 1259 2HB ALA 162 2HB ALA 162 1.585 24.753 5.211 1260 3HB ALA 162 3HB ALA 162 0.588 23.312 5.015 1261 AH51 NDP 168 AH51 NDP 168 -5.653 -0.971 -9.574 1262 AH52 NDP 168 AH52 NDP 168 -5.849 -2.156 -8.274 1263 AH4* NDP 168 AH4* NDP 168 -7.393 -3.463 -9.799 1264 AH3* NDP 168 AH3* NDP 168 -6.984 -1.101 -11.644 1265 AHO3 NDP 168 AHO3 NDP 168 -5.997 -3.125 -12.157 1266 AH2* NDP 168 AH2* NDP 168 -9.286 -1.299 -12.254 1267 AH1* NDP 168 AH1* NDP 168 -10.244 -1.662 -9.683 1268 AH8 NDP 168 AH8 NDP 168 -7.317 0.760 -10.334 1269 AH61 NDP 168 AH61 NDP 168 -11.697 5.146 -10.087 1270 AH62 NDP 168 AH62 NDP 168 -9.977 4.843 -10.056 1271 AH2 NDP 168 AH2 NDP 168 -13.714 1.155 -9.780 1272 NH51 NDP 168 NH51 NDP 168 -1.294 -5.269 -9.473 1273 NH52 NDP 168 NH52 NDP 168 -1.240 -4.138 -8.114 1274 NH4* NDP 168 NH4* NDP 168 1.091 -5.800 -9.193 1275 NH3* NDP 168 NH3* NDP 168 -0.534 -6.095 -6.654 1276 NHO3 NDP 168 NHO3 NDP 168 0.646 -8.001 -8.425 1277 NH2* NDP 168 NH2* NDP 168 1.472 -6.914 -5.620 1278 NHO2 NDP 168 NHO2 NDP 168 2.601 -7.074 -8.226 1279 NH1* NDP 168 NH1* NDP 168 3.153 -5.013 -6.762 1280 NH2 NDP 168 NH2 NDP 168 3.620 -3.490 -4.983 1281 NH71 NDP 168 NH71 NDP 168 4.985 -2.754 -4.293 1282 NH72 NDP 168 NH72 NDP 168 5.406 -1.722 -2.946 1283 NH41 NDP 168 NH41 NDP 168 0.467 -2.084 -3.019 1284 NH42 NDP 168 NH42 NDP 168 0.926 -3.520 -2.042 1285 NH5 NDP 168 NH5 NDP 168 -1.084 -3.977 -3.430 1286 NH6 NDP 168 NH6 NDP 168 -0.348 -5.240 -5.511 1287 H1 TRR 170 H1 TRR 170 4.803 -5.058 1.861 1288 1H2 TRR 170 1H2 TRR 170 4.627 -1.673 2.941 1289 2H2 TRR 170 2H2 TRR 170 5.570 -3.098 2.980 1290 1H4 TRR 170 1H4 TRR 170 -0.092 -3.025 -0.214 1291 2H4 TRR 170 2H4 TRR 170 0.457 -1.625 0.587 1292 H6 TRR 170 H6 TRR 170 3.212 -6.293 0.527 1293 1H7 TRR 170 1H7 TRR 170 1.035 -5.032 -1.496 1294 2H7 TRR 170 2H7 TRR 170 -0.110 -4.943 -0.156 1295 H12 TRR 170 H12 TRR 170 1.426 -7.114 -2.369 1296 H16 TRR 170 H16 TRR 170 0.419 -6.744 1.810 1297 1H17 TRR 170 1H17 TRR 170 0.903 -8.828 -4.076 1298 2H17 TRR 170 2H17 TRR 170 2.294 -9.880 -4.296 1299 3H17 TRR 170 3H17 TRR 170 2.485 -8.324 -3.503 1300 1H18 TRR 170 1H18 TRR 170 2.973 -11.136 0.789 1301 2H18 TRR 170 2H18 TRR 170 2.753 -11.459 -0.925 1302 3H18 TRR 170 3H18 TRR 170 2.207 -12.630 0.267 1303 1H19 TRR 170 1H19 TRR 170 -0.274 -9.165 4.233 1304 2H19 TRR 170 2H19 TRR 170 -0.580 -7.803 3.168 1305 3H19 TRR 170 3H19 TRR 170 1.036 -8.078 3.796 Start of MODEL 14 1 1H THR 1 1H THR 1 -4.865 11.347 3.249 2 2H THR 1 2H THR 1 -5.411 10.420 4.564 3 3H THR 1 3H THR 1 -6.477 10.823 3.303 4 HA THR 1 HA THR 1 -5.654 8.492 3.235 5 HB THR 1 HB THR 1 -4.803 10.194 0.879 6 HG1 THR 1 HG1 THR 1 -6.805 10.840 1.054 7 1HG2 THR 1 1HG2 THR 1 -5.567 7.322 1.304 8 2HG2 THR 1 2HG2 THR 1 -4.236 7.992 0.362 9 3HG2 THR 1 3HG2 THR 1 -5.886 8.085 -0.253 10 H ALA 2 HN ALA 2 -3.887 7.160 3.381 11 HA ALA 2 HA ALA 2 -1.197 8.467 3.246 12 1HB ALA 2 1HB ALA 2 -1.620 7.919 5.547 13 2HB ALA 2 2HB ALA 2 -0.507 6.697 4.931 14 3HB ALA 2 3HB ALA 2 -2.219 6.317 5.116 15 H PHE 3 HN PHE 3 0.496 7.186 2.343 16 HA PHE 3 HA PHE 3 -0.483 4.938 0.634 17 1HB PHE 3 2HB PHE 3 1.717 6.962 0.368 18 2HB PHE 3 1HB PHE 3 1.886 5.404 -0.439 19 HD1 PHE 3 HD1 PHE 3 -1.229 7.392 0.158 20 HD2 PHE 3 HD2 PHE 3 1.590 5.907 -2.706 21 HE1 PHE 3 HE1 PHE 3 -2.682 8.184 -1.686 22 HE2 PHE 3 HE2 PHE 3 0.140 6.692 -4.551 23 HZ PHE 3 HZ PHE 3 -1.995 7.832 -4.039 24 H LEU 4 HN LEU 4 0.353 2.869 1.004 25 HA LEU 4 HA LEU 4 2.785 2.693 2.718 26 1HB LEU 4 2HB LEU 4 0.951 2.337 4.244 27 2HB LEU 4 1HB LEU 4 0.156 1.241 3.116 28 HG LEU 4 HG LEU 4 2.072 -0.331 3.328 29 1HD1 LEU 4 1HD1 LEU 4 3.732 1.466 3.951 30 2HD1 LEU 4 2HD1 LEU 4 3.790 0.040 4.986 31 3HD1 LEU 4 3HD1 LEU 4 2.995 1.509 5.552 32 1HD2 LEU 4 1HD2 LEU 4 1.416 -1.199 5.446 33 2HD2 LEU 4 2HD2 LEU 4 0.004 -0.332 4.847 34 3HD2 LEU 4 3HD2 LEU 4 1.036 0.406 6.071 35 H TRP 5 HN TRP 5 4.113 1.957 1.027 36 HA TRP 5 HA TRP 5 3.390 -0.736 -0.009 37 1HB TRP 5 2HB TRP 5 3.984 -0.201 -2.255 38 2HB TRP 5 1HB TRP 5 2.890 1.067 -1.720 39 HD1 TRP 5 HD1 TRP 5 6.313 0.482 -3.066 40 HE1 TRP 5 HE1 TRP 5 7.582 2.719 -3.253 41 HE3 TRP 5 HE3 TRP 5 3.185 3.497 -0.378 42 HZ2 TRP 5 HZ2 TRP 5 7.309 5.428 -2.376 43 HZ3 TRP 5 HZ3 TRP 5 3.717 5.899 -0.070 44 HH2 TRP 5 HH2 TRP 5 5.770 6.867 -1.064 45 H ALA 6 HN ALA 6 5.469 -1.625 -1.234 46 HA ALA 6 HA ALA 6 7.896 -0.880 0.335 47 1HB ALA 6 1HB ALA 6 7.377 -2.858 1.441 48 2HB ALA 6 2HB ALA 6 8.331 -3.495 0.101 49 3HB ALA 6 3HB ALA 6 6.569 -3.553 0.035 50 H GLN 7 HN GLN 7 9.762 -0.850 -0.912 51 HA GLN 7 HA GLN 7 9.661 -2.052 -3.617 52 1HB GLN 7 2HB GLN 7 10.519 0.136 -4.584 53 2HB GLN 7 1HB GLN 7 8.826 0.134 -4.094 54 1HG GLN 7 2HG GLN 7 9.215 1.822 -2.659 55 2HG GLN 7 1HG GLN 7 10.429 0.853 -1.824 56 1HE2 GLN 7 1HE2 GLN 7 12.684 1.087 -2.506 57 2HE2 GLN 7 2HE2 GLN 7 13.184 2.411 -3.440 58 H ASP 8 HN ASP 8 11.758 -2.178 -4.652 59 HA ASP 8 HA ASP 8 13.913 -2.507 -2.672 60 1HB ASP 8 2HB ASP 8 15.145 -3.534 -4.584 61 2HB ASP 8 1HB ASP 8 13.580 -4.290 -4.302 62 H ARG 9 HN ARG 9 16.164 -1.979 -4.180 63 HA ARG 9 HA ARG 9 16.544 0.796 -3.808 64 1HB ARG 9 2HB ARG 9 18.579 0.490 -5.271 65 2HB ARG 9 1HB ARG 9 18.465 -0.638 -3.923 66 1HG ARG 9 2HG ARG 9 18.793 -2.244 -5.492 67 2HG ARG 9 1HG ARG 9 17.099 -1.983 -5.897 68 1HD ARG 9 2HD ARG 9 17.686 -1.239 -7.934 69 2HD ARG 9 1HD ARG 9 18.655 0.039 -7.203 70 HE ARG 9 HE ARG 9 19.660 -2.512 -8.247 71 1HH1 ARG 9 1HH1 ARG 9 20.216 0.232 -6.187 72 2HH1 ARG 9 2HH1 ARG 9 21.934 0.042 -6.207 73 1HH2 ARG 9 1HH2 ARG 9 21.894 -2.744 -8.258 74 2HH2 ARG 9 2HH2 ARG 9 22.879 -1.630 -7.370 75 H ASP 10 HN ASP 10 15.773 -0.955 -6.847 76 HA ASP 10 HA ASP 10 15.837 1.427 -8.471 77 1HB ASP 10 2HB ASP 10 14.928 -1.392 -8.805 78 2HB ASP 10 1HB ASP 10 14.273 -0.195 -9.923 79 H GLY 11 HN GLY 11 13.332 -0.134 -6.562 80 1HA GLY 11 2HA GLY 11 11.481 1.273 -5.724 81 2HA GLY 11 1HA GLY 11 11.531 2.151 -7.252 82 H LEU 12 HN LEU 12 11.586 -1.364 -6.754 83 HA LEU 12 HA LEU 12 9.331 -1.643 -8.650 84 1HB LEU 12 2HB LEU 12 11.311 -3.114 -8.867 85 2HB LEU 12 1HB LEU 12 11.047 -3.709 -7.231 86 HG LEU 12 HG LEU 12 8.761 -4.489 -7.980 87 1HD1 LEU 12 1HD1 LEU 12 9.396 -2.951 -10.239 88 2HD1 LEU 12 2HD1 LEU 12 8.011 -4.026 -10.055 89 3HD1 LEU 12 3HD1 LEU 12 9.499 -4.623 -10.788 90 1HD2 LEU 12 1HD2 LEU 12 10.728 -5.996 -7.797 91 2HD2 LEU 12 2HD2 LEU 12 11.137 -5.636 -9.474 92 3HD2 LEU 12 3HD2 LEU 12 9.639 -6.487 -9.096 93 H ILE 13 HN ILE 13 7.455 -3.064 -7.996 94 HA ILE 13 HA ILE 13 7.045 -3.054 -5.041 95 HB ILE 13 HB ILE 13 4.518 -2.740 -5.716 96 1HG1 ILE 13 2HG1 ILE 13 5.422 -0.854 -7.769 97 2HG1 ILE 13 1HG1 ILE 13 5.656 -2.534 -8.238 98 1HG2 ILE 13 1HG2 ILE 13 4.777 -0.713 -4.748 99 2HG2 ILE 13 2HG2 ILE 13 5.891 -0.157 -5.997 100 3HG2 ILE 13 3HG2 ILE 13 6.487 -1.134 -4.654 101 1HD1 ILE 13 1HD1 ILE 13 3.068 -2.035 -6.939 102 2HD1 ILE 13 2HD1 ILE 13 3.429 -2.918 -8.423 103 3HD1 ILE 13 3HD1 ILE 13 3.278 -1.162 -8.458 104 H GLY 14 HN GLY 14 5.265 -4.304 -7.931 105 1HA GLY 14 2HA GLY 14 5.791 -7.053 -7.014 106 2HA GLY 14 1HA GLY 14 4.113 -6.538 -6.860 107 H LYS 15 HN LYS 15 5.270 -8.614 -8.626 108 HA LYS 15 HA LYS 15 4.318 -7.476 -11.221 109 1HB LYS 15 2HB LYS 15 6.860 -7.877 -11.028 110 2HB LYS 15 1HB LYS 15 6.461 -9.595 -11.043 111 1HG LYS 15 2HG LYS 15 5.121 -7.999 -13.139 112 2HG LYS 15 1HG LYS 15 6.874 -8.102 -13.297 113 1HD LYS 15 2HD LYS 15 5.587 -10.663 -12.616 114 2HD LYS 15 1HD LYS 15 5.107 -10.017 -14.185 115 1HE LYS 15 2HE LYS 15 7.897 -9.621 -14.019 116 2HE LYS 15 1HE LYS 15 7.607 -11.255 -13.422 117 1HZ LYS 15 1HE LYS 15 7.897 -11.201 -15.829 118 2HZ LYS 15 2HE LYS 15 6.568 -10.152 -15.977 119 3HZ LYS 15 3HE LYS 15 6.344 -11.737 -15.407 120 H ASP 16 HN ASP 16 2.832 -8.718 -12.277 121 HA ASP 16 HA ASP 16 1.220 -10.381 -12.561 122 1HB ASP 16 2HB ASP 16 3.857 -11.698 -12.325 123 2HB ASP 16 1HB ASP 16 2.462 -12.761 -12.134 124 H GLY 17 HN GLY 17 0.634 -9.351 -10.148 125 1HA GLY 17 2HA GLY 17 -0.588 -9.933 -8.246 126 2HA GLY 17 1HA GLY 17 -0.456 -11.615 -8.742 127 H HIS 18 HN HIS 18 1.654 -12.703 -8.231 128 HA HIS 18 HA HIS 18 2.288 -12.513 -5.498 129 1HB HIS 18 2HB HIS 18 4.323 -13.858 -6.073 130 2HB HIS 18 1HB HIS 18 2.835 -14.503 -6.764 131 HD1 HIS 18 HD1 HIS 18 5.989 -12.674 -7.710 132 HD2 HIS 18 HD2 HIS 18 2.686 -14.389 -9.588 133 HE1 HIS 18 HE1 HIS 18 6.519 -12.725 -10.186 134 H LEU 19 HN LEU 19 4.875 -12.295 -4.966 135 HA LEU 19 HA LEU 19 5.613 -9.524 -5.826 136 1HB LEU 19 2HB LEU 19 5.768 -10.937 -3.177 137 2HB LEU 19 1HB LEU 19 6.949 -9.681 -3.552 138 HG LEU 19 HG LEU 19 4.011 -9.172 -3.964 139 1HD1 LEU 19 1HD1 LEU 19 3.755 -8.433 -1.714 140 2HD1 LEU 19 2HD1 LEU 19 5.486 -8.557 -1.396 141 3HD1 LEU 19 3HD1 LEU 19 4.518 -10.019 -1.595 142 1HD2 LEU 19 1HD2 LEU 19 5.669 -7.588 -4.884 143 2HD2 LEU 19 2HD2 LEU 19 6.393 -7.414 -3.286 144 3HD2 LEU 19 3HD2 LEU 19 4.749 -6.843 -3.577 145 HA PRO 20 HA PRO 20 9.482 -11.205 -7.200 146 1HB PRO 20 2HB PRO 20 11.051 -8.920 -6.628 147 2HB PRO 20 1HB PRO 20 10.195 -9.271 -8.137 148 1HG PRO 20 2HG PRO 20 9.620 -7.204 -6.315 149 2HG PRO 20 1HG PRO 20 8.629 -7.713 -7.688 150 1HD PRO 20 2HD PRO 20 8.291 -8.301 -4.801 151 2HD PRO 20 1HD PRO 20 7.078 -8.256 -6.101 152 H TRP 21 HN TRP 21 9.643 -9.505 -4.065 153 HA TRP 21 HA TRP 21 11.857 -11.354 -3.282 154 1HB TRP 21 2HB TRP 21 12.393 -9.608 -1.574 155 2HB TRP 21 1HB TRP 21 12.508 -9.003 -3.226 156 HD1 TRP 21 HD1 TRP 21 10.098 -8.991 -0.224 157 HE1 TRP 21 HE1 TRP 21 8.567 -6.926 -0.414 158 HE3 TRP 21 HE3 TRP 21 11.608 -7.191 -4.762 159 HZ2 TRP 21 HZ2 TRP 21 8.053 -4.789 -2.245 160 HZ3 TRP 21 HZ3 TRP 21 10.579 -5.139 -5.704 161 HH2 TRP 21 HH2 TRP 21 8.806 -3.940 -4.450 162 H HIS 22 HN HIS 22 11.561 -12.658 -1.512 163 HA HIS 22 HA HIS 22 8.891 -12.612 -0.220 164 1HB HIS 22 2HB HIS 22 10.122 -14.744 -1.093 165 2HB HIS 22 1HB HIS 22 11.072 -14.605 0.387 166 HD1 HIS 22 HD1 HIS 22 7.367 -14.540 -0.561 167 HD2 HIS 22 HD2 HIS 22 9.854 -15.890 2.499 168 HE1 HIS 22 HE1 HIS 22 5.874 -15.729 1.103 169 H LEU 23 HN LEU 23 9.005 -10.888 1.249 170 HA LEU 23 HA LEU 23 11.128 -11.114 3.344 171 1HB LEU 23 2HB LEU 23 11.397 -9.113 1.874 172 2HB LEU 23 1HB LEU 23 9.787 -8.580 2.351 173 HG LEU 23 HG LEU 23 10.554 -8.558 4.735 174 1HD1 LEU 23 1HD1 LEU 23 12.746 -9.018 5.351 175 2HD1 LEU 23 2HD1 LEU 23 13.374 -8.689 3.736 176 3HD1 LEU 23 3HD1 LEU 23 12.516 -10.193 4.058 177 1HD2 LEU 23 1HD2 LEU 23 10.802 -6.623 2.906 178 2HD2 LEU 23 2HD2 LEU 23 12.515 -6.865 3.240 179 3HD2 LEU 23 3HD2 LEU 23 11.418 -6.415 4.546 180 HA PRO 24 HA PRO 24 7.281 -11.874 5.663 181 1HB PRO 24 2HB PRO 24 8.860 -12.761 7.862 182 2HB PRO 24 1HB PRO 24 7.943 -13.753 6.722 183 1HG PRO 24 2HG PRO 24 10.768 -13.516 6.952 184 2HG PRO 24 1HG PRO 24 9.847 -14.466 5.780 185 1HD PRO 24 2HD PRO 24 11.294 -11.995 5.363 186 2HD PRO 24 1HD PRO 24 10.518 -13.042 4.165 187 H ASP 25 HN ASP 25 10.248 -10.331 6.875 188 HA ASP 25 HA ASP 25 9.059 -9.054 9.145 189 1HB ASP 25 2HB ASP 25 11.593 -9.268 8.272 190 2HB ASP 25 1HB ASP 25 11.238 -7.646 7.677 191 H ASP 26 HN ASP 26 8.985 -8.323 5.736 192 HA ASP 26 HA ASP 26 8.137 -5.554 6.090 193 1HB ASP 26 2HB ASP 26 9.271 -6.124 4.037 194 2HB ASP 26 1HB ASP 26 8.125 -7.420 3.700 195 H LEU 27 HN LEU 27 6.534 -8.669 5.392 196 HA LEU 27 HA LEU 27 3.907 -7.722 4.987 197 1HB LEU 27 2HB LEU 27 4.768 -10.235 6.458 198 2HB LEU 27 1HB LEU 27 3.163 -9.937 5.791 199 HG LEU 27 HG LEU 27 5.537 -9.664 3.985 200 1HD1 LEU 27 1HD1 LEU 27 6.096 -11.843 4.056 201 2HD1 LEU 27 2HD1 LEU 27 4.413 -12.325 3.844 202 3HD1 LEU 27 3HD1 LEU 27 5.047 -12.024 5.461 203 1HD2 LEU 27 1HD2 LEU 27 2.927 -9.260 3.567 204 2HD2 LEU 27 2HD2 LEU 27 2.953 -11.002 3.294 205 3HD2 LEU 27 3HD2 LEU 27 3.962 -9.941 2.312 206 H HIS 28 HN HIS 28 5.525 -8.575 8.060 207 HA HIS 28 HA HIS 28 3.354 -7.937 9.787 208 1HB HIS 28 2HB HIS 28 6.346 -7.716 10.246 209 2HB HIS 28 1HB HIS 28 5.134 -7.588 11.521 210 HD1 HIS 28 HD1 HIS 28 3.245 -9.810 11.037 211 HD2 HIS 28 HD2 HIS 28 7.331 -10.288 10.367 212 HE1 HIS 28 HE1 HIS 28 3.698 -12.300 11.120 213 H TYR 29 HN TYR 29 5.892 -5.927 8.348 214 HA TYR 29 HA TYR 29 5.242 -3.501 9.746 215 1HB TYR 29 2HB TYR 29 7.348 -3.844 8.450 216 2HB TYR 29 1HB TYR 29 6.405 -3.824 6.960 217 HD1 TYR 29 HD1 TYR 29 7.307 -1.794 9.953 218 HD2 TYR 29 HD2 TYR 29 5.730 -1.781 5.958 219 HE1 TYR 29 HE1 TYR 29 7.396 0.684 9.926 220 HE2 TYR 29 HE2 TYR 29 5.818 0.697 5.930 221 HH TYR 29 HH TYR 29 6.387 2.546 8.774 222 H PHE 30 HN PHE 30 4.042 -5.001 6.784 223 HA PHE 30 HA PHE 30 2.399 -2.786 5.950 224 1HB PHE 30 2HB PHE 30 3.027 -4.555 4.377 225 2HB PHE 30 1HB PHE 30 2.167 -5.750 5.346 226 HD1 PHE 30 HD1 PHE 30 1.489 -2.367 3.847 227 HD2 PHE 30 HD2 PHE 30 0.050 -6.344 4.600 228 HE1 PHE 30 HE1 PHE 30 -0.618 -1.831 2.652 229 HE2 PHE 30 HE2 PHE 30 -2.056 -5.809 3.404 230 HZ PHE 30 HZ PHE 30 -2.390 -3.553 2.433 231 H ARG 31 HN ARG 31 1.658 -5.796 7.739 232 HA ARG 31 HA ARG 31 -1.113 -5.240 8.132 233 1HB ARG 31 2HB ARG 31 -0.016 -7.459 8.488 234 2HB ARG 31 1HB ARG 31 0.748 -6.811 9.938 235 1HG ARG 31 2HG ARG 31 -1.633 -6.204 10.710 236 2HG ARG 31 1HG ARG 31 -2.190 -7.278 9.425 237 1HD ARG 31 2HD ARG 31 -2.053 -8.697 11.308 238 2HD ARG 31 1HD ARG 31 -0.550 -9.004 10.440 239 HE ARG 31 HE ARG 31 -0.528 -6.972 12.606 240 1HH1 ARG 31 1HH2 ARG 31 0.382 -10.101 11.381 241 2HH1 ARG 31 2HH2 ARG 31 1.617 -10.329 12.568 242 1HH2 ARG 31 1HH1 ARG 31 1.073 -7.299 14.146 243 2HH2 ARG 31 2HH1 ARG 31 2.006 -8.758 14.124 244 H ALA 32 HN ALA 32 1.456 -5.054 10.614 245 HA ALA 32 HA ALA 32 0.082 -3.683 12.594 246 1HB ALA 32 1HB ALA 32 2.742 -4.344 12.126 247 2HB ALA 32 2HB ALA 32 2.109 -3.566 13.577 248 3HB ALA 32 3HB ALA 32 2.770 -2.586 12.268 249 H GLN 33 HN GLN 33 1.514 -2.280 9.666 250 HA GLN 33 HA GLN 33 1.014 0.461 10.486 251 1HB GLN 33 2HB GLN 33 1.771 -0.853 7.879 252 2HB GLN 33 1HB GLN 33 1.420 0.874 7.972 253 1HG GLN 33 2HG GLN 33 3.312 -0.288 9.977 254 2HG GLN 33 1HG GLN 33 3.894 -0.039 8.330 255 1HE2 GLN 33 1HE2 GLN 33 3.990 2.181 7.519 256 2HE2 GLN 33 2HE2 GLN 33 3.886 3.508 8.572 257 H THR 34 HN THR 34 -0.973 -2.014 9.111 258 HA THR 34 HA THR 34 -3.028 0.076 8.488 259 HB THR 34 HB THR 34 -3.917 -1.498 6.767 260 HG1 THR 34 HG1 THR 34 -1.481 -2.872 7.206 261 1HG2 THR 34 1HG2 THR 34 -1.994 -1.173 5.169 262 2HG2 THR 34 2HG2 THR 34 -1.040 -0.595 6.535 263 3HG2 THR 34 3HG2 THR 34 -2.480 0.288 6.029 264 H VAL 35 HN VAL 35 -2.575 -1.512 11.011 265 HA VAL 35 HA VAL 35 -4.858 -3.366 11.053 266 HB VAL 35 HB VAL 35 -4.322 -3.555 13.500 267 1HG1 VAL 35 1HG1 VAL 35 -2.551 -4.997 13.111 268 2HG1 VAL 35 2HG1 VAL 35 -1.744 -3.878 12.014 269 3HG1 VAL 35 3HG1 VAL 35 -3.153 -4.786 11.467 270 1HG2 VAL 35 1HG2 VAL 35 -2.025 -1.710 12.773 271 2HG2 VAL 35 2HG2 VAL 35 -2.275 -2.489 14.332 272 3HG2 VAL 35 3HG2 VAL 35 -3.404 -1.258 13.771 273 H GLY 36 HN GLY 36 -6.907 -2.727 11.463 274 1HA GLY 36 2HA GLY 36 -8.692 -1.475 12.346 275 2HA GLY 36 1HA GLY 36 -7.529 -0.627 13.362 276 H LYS 37 HN LYS 37 -6.678 -0.576 10.041 277 HA LYS 37 HA LYS 37 -7.851 2.170 9.792 278 1HB LYS 37 2HB LYS 37 -5.156 1.097 8.936 279 2HB LYS 37 1HB LYS 37 -5.820 2.598 8.290 280 1HG LYS 37 2HG LYS 37 -6.202 3.155 10.852 281 2HG LYS 37 1HG LYS 37 -4.910 1.975 11.076 282 1HD LYS 37 2HD LYS 37 -3.788 3.402 9.111 283 2HD LYS 37 1HD LYS 37 -4.818 4.664 9.785 284 1HE LYS 37 2HE LYS 37 -3.846 4.330 11.998 285 2HE LYS 37 1HE LYS 37 -2.886 2.976 11.401 286 1HZ LYS 37 1HE LYS 37 -1.516 4.351 10.206 287 2HZ LYS 37 2HE LYS 37 -1.847 5.331 11.554 288 3HZ LYS 37 3HE LYS 37 -2.662 5.596 10.087 289 H ILE 38 HN ILE 38 -8.340 2.826 7.522 290 HA ILE 38 HA ILE 38 -9.655 0.689 6.078 291 HB ILE 38 HB ILE 38 -9.010 3.492 5.114 292 1HG1 ILE 38 2HG1 ILE 38 -11.461 2.450 6.575 293 2HG1 ILE 38 1HG1 ILE 38 -10.217 3.477 7.289 294 1HG2 ILE 38 1HG2 ILE 38 -10.021 1.367 3.698 295 2HG2 ILE 38 2HG2 ILE 38 -10.350 3.059 3.328 296 3HG2 ILE 38 3HG2 ILE 38 -11.496 2.129 4.294 297 1HD1 ILE 38 1HD1 ILE 38 -12.307 4.163 5.268 298 2HD1 ILE 38 2HD1 ILE 38 -10.757 4.993 5.168 299 3HD1 ILE 38 3HD1 ILE 38 -11.722 5.106 6.639 300 H MET 39 HN MET 39 -8.596 -0.771 4.837 301 HA MET 39 HA MET 39 -5.977 -0.013 3.640 302 1HB MET 39 2HB MET 39 -6.484 -2.174 5.064 303 2HB MET 39 1HB MET 39 -7.133 -2.783 3.542 304 1HG MET 39 2HG MET 39 -4.657 -1.543 2.924 305 2HG MET 39 1HG MET 39 -4.378 -2.535 4.354 306 1HE MET 39 1HE MET 39 -4.075 -5.165 4.243 307 2HE MET 39 2HE MET 39 -5.374 -6.035 3.432 308 3HE MET 39 3HE MET 39 -5.763 -4.750 4.574 309 H VAL 40 HN VAL 40 -6.261 0.881 1.612 310 HA VAL 40 HA VAL 40 -8.465 -0.076 -0.099 311 HB VAL 40 HB VAL 40 -6.364 2.031 -0.678 312 1HG1 VAL 40 1HG1 VAL 40 -7.398 2.299 -2.666 313 2HG1 VAL 40 2HG1 VAL 40 -8.989 2.325 -1.906 314 3HG1 VAL 40 3HG1 VAL 40 -8.245 0.788 -2.341 315 1HG2 VAL 40 1HG2 VAL 40 -7.501 3.458 0.652 316 2HG2 VAL 40 2HG2 VAL 40 -8.410 2.079 1.262 317 3HG2 VAL 40 3HG2 VAL 40 -9.034 3.014 -0.096 318 H VAL 41 HN VAL 41 -8.130 -1.833 -1.300 319 HA VAL 41 HA VAL 41 -5.475 -2.200 -2.626 320 HB VAL 41 HB VAL 41 -6.079 -4.712 -2.500 321 1HG1 VAL 41 1HG1 VAL 41 -4.248 -3.805 -1.211 322 2HG1 VAL 41 2HG1 VAL 41 -5.187 -4.860 -0.154 323 3HG1 VAL 41 3HG1 VAL 41 -5.362 -3.109 -0.036 324 1HG2 VAL 41 1HG2 VAL 41 -7.956 -3.543 -0.425 325 2HG2 VAL 41 2HG2 VAL 41 -7.474 -5.236 -0.451 326 3HG2 VAL 41 3HG2 VAL 41 -8.384 -4.560 -1.801 327 H GLY 42 HN GLY 42 -5.703 -2.145 -4.811 328 1HA GLY 42 2HA GLY 42 -8.230 -1.946 -6.111 329 2HA GLY 42 1HA GLY 42 -6.701 -2.258 -6.926 330 H ARG 43 HN ARG 43 -9.282 -3.464 -7.523 331 HA ARG 43 HA ARG 43 -9.769 -6.009 -6.527 332 1HB ARG 43 2HB ARG 43 -11.086 -4.818 -8.307 333 2HB ARG 43 1HB ARG 43 -9.845 -5.290 -9.468 334 1HG ARG 43 2HG ARG 43 -10.725 -7.562 -7.867 335 2HG ARG 43 1HG ARG 43 -12.074 -6.808 -8.718 336 1HD ARG 43 2HD ARG 43 -9.465 -7.634 -10.025 337 2HD ARG 43 1HD ARG 43 -10.955 -8.576 -10.076 338 HE ARG 43 HE ARG 43 -11.346 -5.853 -11.012 339 1HH1 ARG 43 1HH2 ARG 43 -10.245 -9.036 -11.854 340 2HH1 ARG 43 2HH2 ARG 43 -10.569 -8.829 -13.541 341 1HH2 ARG 43 1HH1 ARG 43 -11.759 -5.596 -13.209 342 2HH2 ARG 43 2HH1 ARG 43 -11.420 -6.892 -14.305 343 H ARG 44 HN ARG 44 -6.998 -5.028 -8.450 344 HA ARG 44 HA ARG 44 -6.323 -7.708 -9.329 345 1HB ARG 44 2HB ARG 44 -5.234 -5.020 -9.590 346 2HB ARG 44 1HB ARG 44 -3.961 -6.198 -9.271 347 1HG ARG 44 2HG ARG 44 -5.598 -7.480 -11.130 348 2HG ARG 44 1HG ARG 44 -5.558 -5.807 -11.686 349 1HD ARG 44 2HD ARG 44 -3.055 -5.866 -11.489 350 2HD ARG 44 1HD ARG 44 -3.170 -7.586 -11.120 351 HE ARG 44 HE ARG 44 -3.489 -6.373 -13.751 352 1HH1 ARG 44 1HH1 ARG 44 -4.331 -9.034 -11.683 353 2HH1 ARG 44 2HH1 ARG 44 -4.632 -10.113 -13.001 354 1HH2 ARG 44 1HH2 ARG 44 -3.884 -7.787 -15.453 355 2HH2 ARG 44 2HH2 ARG 44 -4.381 -9.413 -15.123 356 H THR 45 HN THR 45 -5.171 -5.598 -6.678 357 HA THR 45 HA THR 45 -3.327 -7.576 -5.650 358 HB THR 45 HB THR 45 -4.578 -5.352 -4.033 359 HG1 THR 45 HG1 THR 45 -2.427 -5.229 -5.877 360 1HG2 THR 45 1HG2 THR 45 -2.661 -5.513 -2.705 361 2HG2 THR 45 2HG2 THR 45 -1.717 -6.265 -3.989 362 3HG2 THR 45 3HG2 THR 45 -2.945 -7.199 -3.136 363 H TYR 46 HN TYR 46 -6.549 -6.480 -4.478 364 HA TYR 46 HA TYR 46 -6.819 -8.299 -2.347 365 1HB TYR 46 2HB TYR 46 -8.408 -6.405 -3.055 366 2HB TYR 46 1HB TYR 46 -9.119 -7.580 -4.163 367 HD1 TYR 46 HD1 TYR 46 -10.586 -9.284 -3.382 368 HD2 TYR 46 HD2 TYR 46 -8.332 -6.937 -0.581 369 HE1 TYR 46 HE1 TYR 46 -11.896 -10.254 -1.513 370 HE2 TYR 46 HE2 TYR 46 -9.641 -7.905 1.288 371 HH TYR 46 HH TYR 46 -12.497 -9.746 0.767 372 H GLU 47 HN GLU 47 -7.537 -8.783 -5.795 373 HA GLU 47 HA GLU 47 -8.544 -11.475 -5.424 374 1HB GLU 47 2HB GLU 47 -7.596 -9.913 -7.832 375 2HB GLU 47 1HB GLU 47 -8.119 -11.593 -7.953 376 1HG GLU 47 HG2 GLU 47 -9.895 -9.663 -6.513 377 2HG GLU 47 HG1 GLU 47 -9.850 -9.600 -8.275 378 H SER 48 HN SER 48 -5.383 -10.093 -5.556 379 HA SER 48 HA SER 48 -4.153 -12.707 -6.239 380 1HB SER 48 2HB SER 48 -3.347 -10.545 -7.292 381 2HB SER 48 1HB SER 48 -2.754 -10.077 -5.701 382 HG SER 48 HG SER 48 -1.416 -11.874 -5.714 383 H PHE 49 HN PHE 49 -4.870 -10.716 -3.491 384 HA PHE 49 HA PHE 49 -2.840 -11.307 -1.664 385 1HB PHE 49 2HB PHE 49 -5.730 -10.718 -1.475 386 2HB PHE 49 1HB PHE 49 -5.066 -11.576 -0.086 387 HD1 PHE 49 HD1 PHE 49 -3.178 -10.588 1.217 388 HD2 PHE 49 HD2 PHE 49 -5.116 -8.436 -1.952 389 HE1 PHE 49 HE1 PHE 49 -2.199 -8.473 2.057 390 HE2 PHE 49 HE2 PHE 49 -4.139 -6.319 -1.112 391 HZ PHE 49 HZ PHE 49 -2.677 -6.337 0.891 392 HA PRO 50 HA PRO 50 -3.029 -15.699 -0.994 393 1HB PRO 50 2HB PRO 50 -1.933 -15.665 1.588 394 2HB PRO 50 1HB PRO 50 -1.026 -15.701 0.070 395 1HG PRO 50 2HG PRO 50 -1.166 -13.581 1.970 396 2HG PRO 50 1HG PRO 50 -0.307 -13.600 0.423 397 1HD PRO 50 2HD PRO 50 -2.874 -12.347 1.107 398 2HD PRO 50 1HD PRO 50 -1.794 -12.024 -0.260 399 H LYS 51 HN LYS 51 -3.909 -13.902 2.000 400 HA LYS 51 HA LYS 51 -6.243 -15.753 2.252 401 1HB LYS 51 2HB LYS 51 -4.529 -14.759 4.547 402 2HB LYS 51 1HB LYS 51 -5.900 -15.862 4.662 403 1HG LYS 51 2HG LYS 51 -4.740 -17.619 3.627 404 2HG LYS 51 1HG LYS 51 -3.567 -16.532 2.884 405 1HD LYS 51 2HD LYS 51 -3.650 -16.475 5.845 406 2HD LYS 51 1HD LYS 51 -3.056 -17.975 5.132 407 1HE LYS 51 2HE LYS 51 -2.001 -15.478 3.929 408 2HE LYS 51 1HE LYS 51 -1.476 -15.812 5.578 409 1HZ LYS 51 1HE LYS 51 -0.132 -17.395 4.847 410 2HZ LYS 51 2HE LYS 51 -0.501 -16.938 3.253 411 3HZ LYS 51 3HE LYS 51 -1.387 -18.173 4.012 412 H ARG 52 HN ARG 52 -7.887 -14.345 1.742 413 HA ARG 52 HA ARG 52 -7.918 -11.710 3.155 414 1HB ARG 52 2HB ARG 52 -9.554 -12.512 0.732 415 2HB ARG 52 1HB ARG 52 -9.348 -10.890 1.393 416 1HG ARG 52 2HG ARG 52 -7.680 -10.679 -0.129 417 2HG ARG 52 1HG ARG 52 -6.740 -11.680 0.977 418 1HD ARG 52 2HD ARG 52 -6.599 -12.702 -1.202 419 2HD ARG 52 1HD ARG 52 -7.663 -13.709 -0.220 420 HE ARG 52 HE ARG 52 -9.295 -11.829 -1.570 421 1HH1 ARG 52 1HH1 ARG 52 -7.168 -14.484 -2.258 422 2HH1 ARG 52 2HH1 ARG 52 -8.009 -14.937 -3.702 423 1HH2 ARG 52 1HH2 ARG 52 -10.380 -12.426 -3.449 424 2HH2 ARG 52 2HH2 ARG 52 -9.818 -13.779 -4.373 425 HA PRO 53 HA PRO 53 -9.129 -10.232 3.722 426 1HB PRO 53 2HB PRO 53 -10.469 -9.260 5.931 427 2HB PRO 53 1HB PRO 53 -11.085 -9.178 4.273 428 1HG PRO 53 2HG PRO 53 -12.095 -10.728 6.482 429 2HG PRO 53 1HG PRO 53 -12.765 -10.562 4.852 430 1HD PRO 53 2HD PRO 53 -11.158 -12.748 5.978 431 2HD PRO 53 1HD PRO 53 -12.157 -12.728 4.514 432 H LEU 54 HN LEU 54 -8.036 -8.937 5.577 433 HA LEU 54 HA LEU 54 -6.181 -10.666 6.947 434 1HB LEU 54 2HB LEU 54 -6.751 -7.711 7.024 435 2HB LEU 54 1HB LEU 54 -5.598 -8.430 8.148 436 HG LEU 54 HG LEU 54 -5.452 -8.874 5.160 437 1HD1 LEU 54 1HD1 LEU 54 -3.912 -7.068 4.979 438 2HD1 LEU 54 2HD1 LEU 54 -3.791 -6.894 6.731 439 3HD1 LEU 54 3HD1 LEU 54 -5.271 -6.419 5.897 440 1HD2 LEU 54 1HD2 LEU 54 -2.984 -9.232 5.930 441 2HD2 LEU 54 2HD2 LEU 54 -4.159 -10.506 6.258 442 3HD2 LEU 54 3HD2 LEU 54 -3.680 -9.394 7.542 443 HA PRO 55 HA PRO 55 -8.078 -11.476 10.847 444 1HB PRO 55 2HB PRO 55 -5.811 -10.880 12.476 445 2HB PRO 55 1HB PRO 55 -6.334 -12.460 11.879 446 1HG PRO 55 2HG PRO 55 -4.042 -11.002 11.093 447 2HG PRO 55 1HG PRO 55 -4.651 -12.510 10.397 448 1HD PRO 55 2HD PRO 55 -4.772 -9.807 9.308 449 2HD PRO 55 1HD PRO 55 -5.095 -11.352 8.506 450 H GLU 56 HN GLU 56 -9.532 -9.761 11.068 451 HA GLU 56 HA GLU 56 -10.482 -7.887 12.137 452 1HB GLU 56 2HB GLU 56 -7.974 -8.096 13.834 453 2HB GLU 56 1HB GLU 56 -9.358 -7.068 14.200 454 1HG GLU 56 HG2 GLU 56 -10.816 -9.002 14.380 455 2HG GLU 56 HG1 GLU 56 -9.519 -10.075 13.854 456 H ARG 57 HN ARG 57 -9.464 -7.232 9.821 457 HA ARG 57 HA ARG 57 -8.183 -4.588 10.305 458 1HB ARG 57 2HB ARG 57 -7.164 -6.803 8.575 459 2HB ARG 57 1HB ARG 57 -6.954 -5.144 8.016 460 1HG ARG 57 2HG ARG 57 -5.051 -5.259 9.279 461 2HG ARG 57 1HG ARG 57 -6.163 -4.877 10.595 462 1HD ARG 57 2HD ARG 57 -6.477 -7.563 10.492 463 2HD ARG 57 1HD ARG 57 -4.804 -7.434 9.950 464 HE ARG 57 HE ARG 57 -5.337 -5.840 12.325 465 1HH1 ARG 57 1HH2 ARG 57 -4.566 -8.996 11.103 466 2HH1 ARG 57 2HH2 ARG 57 -3.770 -9.492 12.556 467 1HH2 ARG 57 1HH1 ARG 57 -4.306 -6.499 14.212 468 2HH2 ARG 57 2HH1 ARG 57 -3.623 -8.088 14.308 469 H THR 58 HN THR 58 -8.803 -2.993 8.767 470 HA THR 58 HA THR 58 -11.329 -3.579 7.396 471 HB THR 58 HB THR 58 -9.825 -0.987 7.138 472 HG1 THR 58 HG1 THR 58 -9.773 -1.027 9.251 473 1HG2 THR 58 1HG2 THR 58 -11.775 -0.634 6.030 474 2HG2 THR 58 2HG2 THR 58 -12.456 -0.449 7.646 475 3HG2 THR 58 3HG2 THR 58 -12.577 -1.997 6.810 476 H ASN 59 HN ASN 59 -11.324 -4.434 5.389 477 HA ASN 59 HA ASN 59 -9.102 -3.667 3.533 478 1HB ASN 59 2HB ASN 59 -10.636 -6.264 3.812 479 2HB ASN 59 1HB ASN 59 -9.655 -5.885 2.396 480 1HD2 ASN 59 1HD2 ASN 59 -9.307 -5.805 5.995 481 2HD2 ASN 59 2HD2 ASN 59 -7.714 -6.391 5.994 482 H VAL 60 HN VAL 60 -9.799 -2.533 1.740 483 HA VAL 60 HA VAL 60 -12.684 -2.788 1.006 484 HB VAL 60 HB VAL 60 -10.907 -0.357 0.628 485 1HG1 VAL 60 1HG1 VAL 60 -12.585 0.232 -0.763 486 2HG1 VAL 60 2HG1 VAL 60 -13.602 0.371 0.670 487 3HG1 VAL 60 3HG1 VAL 60 -13.579 -1.132 -0.252 488 1HG2 VAL 60 1HG2 VAL 60 -12.948 -0.992 2.781 489 2HG2 VAL 60 2HG2 VAL 60 -12.278 0.615 2.498 490 3HG2 VAL 60 3HG2 VAL 60 -11.224 -0.702 3.013 491 H VAL 61 HN VAL 61 -13.042 -3.347 -1.140 492 HA VAL 61 HA VAL 61 -10.620 -3.723 -2.815 493 HB VAL 61 HB VAL 61 -13.439 -4.699 -3.339 494 1HG1 VAL 61 1HG1 VAL 61 -11.586 -4.586 -5.164 495 2HG1 VAL 61 2HG1 VAL 61 -12.470 -6.098 -4.961 496 3HG1 VAL 61 3HG1 VAL 61 -10.853 -5.924 -4.279 497 1HG2 VAL 61 1HG2 VAL 61 -12.515 -6.892 -2.442 498 2HG2 VAL 61 2HG2 VAL 61 -12.783 -5.644 -1.225 499 3HG2 VAL 61 3HG2 VAL 61 -11.151 -5.968 -1.810 500 H LEU 62 HN LEU 62 -10.463 -2.828 -4.892 501 HA LEU 62 HA LEU 62 -12.478 -0.709 -5.536 502 1HB LEU 62 2HB LEU 62 -9.604 -0.583 -5.239 503 2HB LEU 62 1HB LEU 62 -10.049 -0.164 -6.893 504 HG LEU 62 HG LEU 62 -11.823 1.374 -5.859 505 1HD1 LEU 62 1HD1 LEU 62 -10.746 0.172 -3.490 506 2HD1 LEU 62 2HD1 LEU 62 -12.048 1.352 -3.624 507 3HD1 LEU 62 3HD1 LEU 62 -10.383 1.898 -3.452 508 1HD2 LEU 62 1HD2 LEU 62 -9.200 2.425 -4.972 509 2HD2 LEU 62 2HD2 LEU 62 -10.346 3.096 -6.132 510 3HD2 LEU 62 3HD2 LEU 62 -9.237 1.818 -6.627 511 H THR 63 HN THR 63 -13.518 -1.018 -7.465 512 HA THR 63 HA THR 63 -12.105 -2.472 -9.632 513 HB THR 63 HB THR 63 -13.234 -4.255 -8.392 514 HG1 THR 63 HG1 THR 63 -13.295 -4.669 -10.513 515 1HG2 THR 63 1HG2 THR 63 -15.789 -2.723 -8.933 516 2HG2 THR 63 2HG2 THR 63 -14.966 -2.755 -7.374 517 3HG2 THR 63 3HG2 THR 63 -15.632 -4.240 -8.050 518 H HIS 64 HN HIS 64 -13.213 -2.298 -11.705 519 HA HIS 64 HA HIS 64 -14.619 0.286 -11.955 520 1HB HIS 64 2HB HIS 64 -13.100 -1.526 -13.743 521 2HB HIS 64 1HB HIS 64 -14.438 -0.664 -14.500 522 HD1 HIS 64 HD1 HIS 64 -14.300 1.936 -14.583 523 HD2 HIS 64 HD2 HIS 64 -10.939 0.121 -12.913 524 HE1 HIS 64 HE1 HIS 64 -12.508 3.721 -14.462 525 H GLN 65 HN GLN 65 -15.476 -2.995 -11.663 526 HA GLN 65 HA GLN 65 -17.822 -2.928 -13.394 527 1HB GLN 65 2HB GLN 65 -16.934 -4.822 -11.203 528 2HB GLN 65 1HB GLN 65 -18.416 -5.047 -12.133 529 1HG GLN 65 2HG GLN 65 -17.027 -6.253 -13.498 530 2HG GLN 65 1HG GLN 65 -16.670 -4.657 -14.160 531 1HE2 GLN 65 1HE2 GLN 65 -14.626 -3.647 -13.562 532 2HE2 GLN 65 2HE2 GLN 65 -13.382 -4.536 -12.826 533 H GLU 66 HN GLU 66 -20.045 -3.332 -12.371 534 HA GLU 66 HA GLU 66 -20.351 -1.533 -10.001 535 1HB GLU 66 2HB GLU 66 -22.071 -2.004 -12.430 536 2HB GLU 66 1HB GLU 66 -22.768 -1.353 -10.946 537 1HG GLU 66 HG2 GLU 66 -20.246 -0.086 -11.881 538 2HG GLU 66 HG1 GLU 66 -21.685 0.219 -12.855 539 H ASP 67 HN ASP 67 -20.720 -4.744 -11.115 540 HA ASP 67 HA ASP 67 -22.707 -5.336 -8.968 541 1HB ASP 67 2HB ASP 67 -21.902 -6.794 -11.485 542 2HB ASP 67 1HB ASP 67 -22.782 -7.608 -10.191 543 H TYR 68 HN TYR 68 -19.635 -4.952 -8.805 544 HA TYR 68 HA TYR 68 -18.397 -7.449 -8.256 545 1HB TYR 68 2HB TYR 68 -17.368 -5.061 -8.356 546 2HB TYR 68 1HB TYR 68 -17.796 -4.975 -6.649 547 HD1 TYR 68 HD1 TYR 68 -15.701 -6.681 -9.160 548 HD2 TYR 68 HD2 TYR 68 -16.701 -6.384 -4.991 549 HE1 TYR 68 HE1 TYR 68 -13.690 -8.013 -8.581 550 HE2 TYR 68 HE2 TYR 68 -14.690 -7.715 -4.414 551 HH TYR 68 HH TYR 68 -13.199 -9.615 -6.098 552 H GLN 69 HN GLN 69 -18.991 -8.933 -6.769 553 HA GLN 69 HA GLN 69 -20.425 -7.983 -4.325 554 1HB GLN 69 2HB GLN 69 -20.533 -10.553 -5.892 555 2HB GLN 69 1HB GLN 69 -21.062 -10.503 -4.210 556 1HG GLN 69 2HG GLN 69 -22.081 -8.580 -6.314 557 2HG GLN 69 1HG GLN 69 -22.895 -10.094 -5.920 558 1HE2 GLN 69 1HE2 GLN 69 -22.413 -6.807 -4.899 559 2HE2 GLN 69 2HE2 GLN 69 -23.304 -6.905 -3.458 560 H ALA 70 HN ALA 70 -19.350 -8.135 -2.434 561 HA ALA 70 HA ALA 70 -17.255 -10.230 -2.127 562 1HB ALA 70 1HB ALA 70 -16.777 -7.457 -1.058 563 2HB ALA 70 2HB ALA 70 -16.363 -7.839 -2.729 564 3HB ALA 70 3HB ALA 70 -15.605 -8.728 -1.408 565 H GLN 71 HN GLN 71 -18.325 -11.421 -0.576 566 HA GLN 71 HA GLN 71 -19.871 -10.148 1.546 567 1HB GLN 71 2HB GLN 71 -19.054 -12.999 0.963 568 2HB GLN 71 1HB GLN 71 -19.922 -12.560 2.434 569 1HG GLN 71 2HG GLN 71 -21.819 -12.764 1.227 570 2HG GLN 71 1HG GLN 71 -21.349 -11.268 0.421 571 1HE2 GLN 71 1HE2 GLN 71 -21.686 -11.608 -1.788 572 2HE2 GLN 71 2HE2 GLN 71 -21.170 -12.979 -2.646 573 H GLY 72 HN GLY 72 -18.793 -9.099 3.152 574 1HA GLY 72 2HA GLY 72 -17.556 -9.395 5.260 575 2HA GLY 72 1HA GLY 72 -16.497 -10.527 4.419 576 H ALA 73 HN ALA 73 -16.343 -8.733 2.028 577 HA ALA 73 HA ALA 73 -14.430 -6.765 3.207 578 1HB ALA 73 1HB ALA 73 -12.956 -7.512 1.685 579 2HB ALA 73 2HB ALA 73 -14.063 -7.083 0.381 580 3HB ALA 73 3HB ALA 73 -14.149 -8.681 1.120 581 H VAL 74 HN VAL 74 -14.580 -4.621 2.631 582 HA VAL 74 HA VAL 74 -17.102 -3.578 1.747 583 HB VAL 74 HB VAL 74 -14.398 -2.196 1.685 584 1HG1 VAL 74 1HG1 VAL 74 -15.834 -0.152 2.000 585 2HG1 VAL 74 2HG1 VAL 74 -17.250 -1.168 1.732 586 3HG1 VAL 74 3HG1 VAL 74 -16.066 -0.950 0.443 587 1HG2 VAL 74 1HG2 VAL 74 -14.850 -1.483 3.937 588 2HG2 VAL 74 2HG2 VAL 74 -15.082 -3.230 3.905 589 3HG2 VAL 74 3HG2 VAL 74 -16.480 -2.156 3.885 590 H VAL 75 HN VAL 75 -17.499 -2.381 -0.339 591 HA VAL 75 HA VAL 75 -15.674 -3.130 -2.549 592 HB VAL 75 HB VAL 75 -18.654 -3.722 -2.534 593 1HG1 VAL 75 1HG1 VAL 75 -18.140 -4.783 -4.740 594 2HG1 VAL 75 2HG1 VAL 75 -16.506 -4.125 -4.638 595 3HG1 VAL 75 3HG1 VAL 75 -17.891 -3.037 -4.744 596 1HG2 VAL 75 1HG2 VAL 75 -16.189 -5.404 -2.179 597 2HG2 VAL 75 2HG2 VAL 75 -17.610 -6.102 -2.956 598 3HG2 VAL 75 3HG2 VAL 75 -17.722 -5.482 -1.308 599 H VAL 76 HN VAL 76 -15.428 -1.353 -3.858 600 HA VAL 76 HA VAL 76 -17.668 0.585 -4.068 601 HB VAL 76 HB VAL 76 -16.037 2.474 -3.745 602 1HG1 VAL 76 1HG1 VAL 76 -17.069 2.436 -1.736 603 2HG1 VAL 76 2HG1 VAL 76 -15.672 1.541 -1.141 604 3HG1 VAL 76 3HG1 VAL 76 -17.098 0.675 -1.702 605 1HG2 VAL 76 1HG2 VAL 76 -14.098 0.695 -4.119 606 2HG2 VAL 76 2HG2 VAL 76 -14.210 0.547 -2.365 607 3HG2 VAL 76 3HG2 VAL 76 -13.845 2.109 -3.097 608 H HIS 77 HN HIS 77 -17.359 2.078 -5.905 609 HA HIS 77 HA HIS 77 -15.340 1.164 -7.900 610 1HB HIS 77 2HB HIS 77 -18.175 1.810 -8.715 611 2HB HIS 77 1HB HIS 77 -16.940 0.949 -9.631 612 HD1 HIS 77 HD1 HIS 77 -16.044 -1.125 -7.574 613 HD2 HIS 77 HD2 HIS 77 -20.046 -0.189 -8.257 614 HE1 HIS 77 HE1 HIS 77 -17.388 -3.119 -6.787 615 H ASP 78 HN ASP 78 -15.478 3.542 -6.153 616 HA ASP 78 HA ASP 78 -15.016 5.545 -8.204 617 1HB ASP 78 2HB ASP 78 -17.653 5.351 -6.988 618 2HB ASP 78 1HB ASP 78 -16.913 6.921 -6.674 619 H VAL 79 HN VAL 79 -13.102 6.153 -7.308 620 HA VAL 79 HA VAL 79 -12.195 6.198 -4.725 621 HB VAL 79 HB VAL 79 -11.787 8.365 -6.808 622 1HG1 VAL 79 1HG1 VAL 79 -9.906 9.105 -5.581 623 2HG1 VAL 79 2HG1 VAL 79 -9.904 7.669 -4.559 624 3HG1 VAL 79 3HG1 VAL 79 -11.156 8.890 -4.358 625 1HG2 VAL 79 1HG2 VAL 79 -10.423 6.903 -7.855 626 2HG2 VAL 79 2HG2 VAL 79 -11.069 5.647 -6.800 627 3HG2 VAL 79 3HG2 VAL 79 -9.598 6.508 -6.348 628 H ALA 80 HN ALA 80 -14.501 8.481 -6.117 629 HA ALA 80 HA ALA 80 -14.447 10.474 -4.094 630 1HB ALA 80 1HB ALA 80 -17.116 10.307 -4.854 631 2HB ALA 80 2HB ALA 80 -16.253 9.655 -6.247 632 3HB ALA 80 3HB ALA 80 -15.877 11.273 -5.654 633 H ALA 81 HN ALA 81 -16.286 7.426 -4.284 634 HA ALA 81 HA ALA 81 -17.750 7.819 -1.849 635 1HB ALA 81 1HB ALA 81 -17.770 5.182 -1.978 636 2HB ALA 81 2HB ALA 81 -17.076 5.459 -3.575 637 3HB ALA 81 3HB ALA 81 -18.656 6.130 -3.172 638 H VAL 82 HN VAL 82 -14.711 6.049 -2.550 639 HA VAL 82 HA VAL 82 -14.206 5.042 0.025 640 HB VAL 82 HB VAL 82 -12.087 6.220 -1.790 641 1HG1 VAL 82 1HG1 VAL 82 -12.112 4.573 0.637 642 2HG1 VAL 82 2HG1 VAL 82 -10.780 5.459 -0.104 643 3HG1 VAL 82 3HG1 VAL 82 -11.190 3.843 -0.677 644 1HG2 VAL 82 1HG2 VAL 82 -12.035 3.788 -2.650 645 2HG2 VAL 82 2HG2 VAL 82 -13.356 4.810 -3.214 646 3HG2 VAL 82 3HG2 VAL 82 -13.638 3.633 -1.932 647 H PHE 83 HN PHE 83 -13.547 8.303 -1.233 648 HA PHE 83 HA PHE 83 -12.098 9.273 1.016 649 1HB PHE 83 2HB PHE 83 -13.750 10.563 -1.136 650 2HB PHE 83 1HB PHE 83 -13.172 11.537 0.217 651 HD1 PHE 83 HD1 PHE 83 -12.373 10.448 -3.006 652 HD2 PHE 83 HD2 PHE 83 -10.598 11.022 0.862 653 HE1 PHE 83 HE1 PHE 83 -10.130 10.576 -4.053 654 HE2 PHE 83 HE2 PHE 83 -8.355 11.149 -0.187 655 HZ PHE 83 HZ PHE 83 -8.123 10.923 -2.644 656 H ALA 84 HN ALA 84 -15.602 9.264 0.338 657 HA ALA 84 HA ALA 84 -16.501 10.736 2.557 658 1HB ALA 84 1HB ALA 84 -17.692 9.168 0.584 659 2HB ALA 84 2HB ALA 84 -18.537 10.074 1.839 660 3HB ALA 84 3HB ALA 84 -18.151 8.371 2.090 661 H TYR 85 HN TYR 85 -16.274 7.155 2.449 662 HA TYR 85 HA TYR 85 -16.825 6.505 5.059 663 1HB TYR 85 2HB TYR 85 -15.903 5.087 2.998 664 2HB TYR 85 1HB TYR 85 -14.391 5.224 3.895 665 HD1 TYR 85 HD1 TYR 85 -17.945 4.137 4.159 666 HD2 TYR 85 HD2 TYR 85 -14.015 3.964 5.879 667 HE1 TYR 85 HE1 TYR 85 -18.701 2.357 5.712 668 HE2 TYR 85 HE2 TYR 85 -14.767 2.185 7.428 669 HH TYR 85 HH TYR 85 -18.074 1.404 7.858 670 H ALA 86 HN ALA 86 -13.471 7.204 3.970 671 HA ALA 86 HA ALA 86 -12.274 7.204 6.525 672 1HB ALA 86 1HB ALA 86 -11.628 8.436 3.892 673 2HB ALA 86 2HB ALA 86 -10.663 7.352 4.893 674 3HB ALA 86 3HB ALA 86 -10.771 9.064 5.300 675 H LYS 87 HN LYS 87 -13.750 9.931 4.763 676 HA LYS 87 HA LYS 87 -13.225 11.904 6.775 677 1HB LYS 87 2HB LYS 87 -14.648 11.742 4.273 678 2HB LYS 87 1HB LYS 87 -15.659 12.560 5.464 679 1HG LYS 87 2HG LYS 87 -14.413 14.345 4.647 680 2HG LYS 87 1HG LYS 87 -13.428 13.853 6.024 681 1HD LYS 87 2HD LYS 87 -12.626 12.238 3.828 682 2HD LYS 87 1HD LYS 87 -12.716 13.896 3.235 683 1HE LYS 87 2HE LYS 87 -10.559 13.869 4.098 684 2HE LYS 87 1HE LYS 87 -11.464 14.443 5.498 685 1HZ LYS 87 1HE LYS 87 -11.585 11.686 5.594 686 2HZ LYS 87 2HE LYS 87 -10.669 12.708 6.596 687 3HZ LYS 87 3HE LYS 87 -9.977 12.048 5.191 688 H GLN 88 HN GLN 88 -15.659 9.423 6.471 689 HA GLN 88 HA GLN 88 -17.345 10.619 8.570 690 1HB GLN 88 2HB GLN 88 -17.697 8.678 6.478 691 2HB GLN 88 1HB GLN 88 -18.174 7.962 8.017 692 1HG GLN 88 2HG GLN 88 -20.148 9.022 7.348 693 2HG GLN 88 1HG GLN 88 -19.414 10.243 8.387 694 1HE2 GLN 88 1HE2 GLN 88 -19.442 9.258 4.913 695 2HE2 GLN 88 2HE2 GLN 88 -19.342 10.843 4.314 696 H HIS 89 HN HIS 89 -14.729 8.309 8.405 697 HA HIS 89 HA HIS 89 -15.499 7.169 11.031 698 1HB HIS 89 2HB HIS 89 -13.630 6.402 8.836 699 2HB HIS 89 1HB HIS 89 -13.212 5.902 10.475 700 HD1 HIS 89 HD1 HIS 89 -14.554 4.013 11.506 701 HD2 HIS 89 HD2 HIS 89 -16.204 5.367 7.925 702 HE1 HIS 89 HE1 HIS 89 -16.400 2.385 10.907 703 HA PRO 90 HA PRO 90 -12.605 10.160 12.833 704 1HB PRO 90 2HB PRO 90 -13.620 9.776 15.395 705 2HB PRO 90 1HB PRO 90 -14.198 10.980 14.235 706 1HG PRO 90 2HG PRO 90 -15.555 8.638 15.202 707 2HG PRO 90 1HG PRO 90 -16.160 9.891 14.109 708 1HD PRO 90 2HD PRO 90 -15.202 7.207 13.470 709 2HD PRO 90 1HD PRO 90 -16.083 8.354 12.447 710 H ASP 91 HN ASP 91 -12.696 6.863 12.958 711 HA ASP 91 HA ASP 91 -10.283 6.770 14.706 712 1HB ASP 91 2HB ASP 91 -12.779 5.104 14.915 713 2HB ASP 91 1HB ASP 91 -11.225 4.423 15.397 714 H GLN 92 HN GLN 92 -11.340 6.424 11.698 715 HA GLN 92 HA GLN 92 -9.314 4.371 11.040 716 1HB GLN 92 2HB GLN 92 -11.934 3.598 11.180 717 2HB GLN 92 1HB GLN 92 -11.841 4.139 9.504 718 1HG GLN 92 2HG GLN 92 -10.337 2.494 8.912 719 2HG GLN 92 1HG GLN 92 -9.633 2.416 10.524 720 1HE2 GLN 92 1HE2 GLN 92 -12.578 1.509 8.687 721 2HE2 GLN 92 2HE2 GLN 92 -13.001 0.216 9.703 722 H GLU 93 HN GLU 93 -7.998 5.685 9.720 723 HA GLU 93 HA GLU 93 -9.300 7.720 8.046 724 1HB GLU 93 2HB GLU 93 -6.484 7.064 8.854 725 2HB GLU 93 1HB GLU 93 -6.760 8.070 7.434 726 1HG GLU 93 HG2 GLU 93 -8.283 9.499 8.893 727 2HG GLU 93 HG1 GLU 93 -7.648 8.604 10.274 728 H LEU 94 HN LEU 94 -7.589 7.773 5.881 729 HA LEU 94 HA LEU 94 -8.418 5.310 4.423 730 1HB LEU 94 2HB LEU 94 -8.880 7.852 3.714 731 2HB LEU 94 1HB LEU 94 -7.279 7.674 3.000 732 HG LEU 94 HG LEU 94 -8.209 5.458 2.009 733 1HD1 LEU 94 1HD1 LEU 94 -10.359 5.964 3.534 734 2HD1 LEU 94 2HD1 LEU 94 -10.486 5.107 1.999 735 3HD1 LEU 94 3HD1 LEU 94 -10.857 6.829 2.082 736 1HD2 LEU 94 1HD2 LEU 94 -9.264 6.776 0.114 737 2HD2 LEU 94 2HD2 LEU 94 -7.657 7.328 0.587 738 3HD2 LEU 94 3HD2 LEU 94 -9.086 8.218 1.113 739 H VAL 95 HN VAL 95 -6.825 3.801 4.284 740 HA VAL 95 HA VAL 95 -4.007 4.777 4.001 741 HB VAL 95 HB VAL 95 -4.955 2.115 5.115 742 1HG1 VAL 95 1HG1 VAL 95 -2.843 1.532 4.501 743 2HG1 VAL 95 2HG1 VAL 95 -2.356 2.486 5.902 744 3HG1 VAL 95 3HG1 VAL 95 -2.339 3.209 4.294 745 1HG2 VAL 95 1HG2 VAL 95 -5.476 3.765 6.747 746 2HG2 VAL 95 2HG2 VAL 95 -4.003 4.675 6.409 747 3HG2 VAL 95 3HG2 VAL 95 -3.910 3.121 7.237 748 H ILE 96 HN ILE 96 -3.104 4.347 2.058 749 HA ILE 96 HA ILE 96 -4.573 2.674 0.145 750 HB ILE 96 HB ILE 96 -1.923 4.078 -0.252 751 1HG1 ILE 96 2HG1 ILE 96 -3.708 5.633 0.568 752 2HG1 ILE 96 1HG1 ILE 96 -3.197 5.984 -1.079 753 1HG2 ILE 96 1HG2 ILE 96 -2.727 4.084 -2.636 754 2HG2 ILE 96 2HG2 ILE 96 -4.079 3.072 -2.127 755 3HG2 ILE 96 3HG2 ILE 96 -2.428 2.472 -1.988 756 1HD1 ILE 96 1HD1 ILE 96 -5.420 4.056 -0.877 757 2HD1 ILE 96 2HD1 ILE 96 -5.217 5.434 -1.957 758 3HD1 ILE 96 3HD1 ILE 96 -5.804 5.682 -0.313 759 H ALA 97 HN ALA 97 -3.823 0.756 -0.749 760 HA ALA 97 HA ALA 97 -1.347 -0.406 0.446 761 1HB ALA 97 1HB ALA 97 -3.710 -2.112 -0.276 762 2HB ALA 97 2HB ALA 97 -3.652 -1.314 1.294 763 3HB ALA 97 3HB ALA 97 -2.394 -2.463 0.840 764 H GLY 98 HN GLY 98 -2.867 0.630 -2.304 765 1HA GLY 98 2HA GLY 98 -1.839 0.522 -4.463 766 2HA GLY 98 1HA GLY 98 -1.037 -0.971 -3.986 767 H GLY 99 HN GLY 99 -3.416 -2.465 -6.180 768 1HA GLY 99 2HA GLY 99 -0.662 -2.167 -5.416 769 2HA GLY 99 1HA GLY 99 -1.246 -2.718 -6.980 770 H ALA 100 HN ALA 100 0.036 -1.503 -8.318 771 HA ALA 100 HA ALA 100 0.787 1.218 -7.899 772 1HB ALA 100 1HB ALA 100 1.864 1.040 -9.914 773 2HB ALA 100 2HB ALA 100 0.489 0.265 -10.699 774 3HB ALA 100 3HB ALA 100 1.556 -0.677 -9.658 775 H GLN 101 HN GLN 101 -1.927 -0.200 -9.709 776 HA GLN 101 HA GLN 101 -2.880 2.173 -10.904 777 1HB GLN 101 2HB GLN 101 -3.714 -0.380 -10.970 778 2HB GLN 101 1HB GLN 101 -4.908 0.273 -9.850 779 1HG GLN 101 2HG GLN 101 -6.038 1.090 -11.615 780 2HG GLN 101 1HG GLN 101 -4.688 2.184 -11.911 781 1HE2 GLN 101 1HE2 GLN 101 -5.508 -1.290 -12.505 782 2HE2 GLN 101 2HE2 GLN 101 -4.820 -1.333 -14.056 783 H ILE 102 HN ILE 102 -3.452 0.941 -7.576 784 HA ILE 102 HA ILE 102 -5.380 3.031 -7.010 785 HB ILE 102 HB ILE 102 -3.828 1.281 -5.083 786 1HG1 ILE 102 2HG1 ILE 102 -5.027 -0.095 -6.717 787 2HG1 ILE 102 1HG1 ILE 102 -5.866 -0.160 -5.168 788 1HG2 ILE 102 1HG2 ILE 102 -6.588 2.224 -4.527 789 2HG2 ILE 102 2HG2 ILE 102 -5.328 3.454 -4.472 790 3HG2 ILE 102 3HG2 ILE 102 -5.220 2.036 -3.431 791 1HD1 ILE 102 1HD1 ILE 102 -7.508 0.166 -6.938 792 2HD1 ILE 102 2HD1 ILE 102 -6.617 1.557 -7.551 793 3HD1 ILE 102 3HD1 ILE 102 -7.404 1.639 -5.975 794 H PHE 103 HN PHE 103 -1.869 2.809 -6.793 795 HA PHE 103 HA PHE 103 -1.611 5.005 -4.909 796 1HB PHE 103 2HB PHE 103 0.359 3.822 -6.891 797 2HB PHE 103 1HB PHE 103 0.770 5.053 -5.700 798 HD1 PHE 103 HD1 PHE 103 1.535 1.915 -6.162 799 HD2 PHE 103 HD2 PHE 103 -0.835 4.141 -3.355 800 HE1 PHE 103 HE1 PHE 103 1.885 0.144 -4.461 801 HE2 PHE 103 HE2 PHE 103 -0.486 2.370 -1.654 802 HZ PHE 103 HZ PHE 103 0.873 0.371 -2.208 803 H THR 104 HN THR 104 -2.139 4.743 -8.335 804 HA THR 104 HA THR 104 -1.212 7.444 -8.948 805 HB THR 104 HB THR 104 -3.076 5.900 -10.722 806 HG1 THR 104 HG1 THR 104 -1.147 4.794 -11.449 807 1HG2 THR 104 1HG2 THR 104 -2.126 7.148 -12.391 808 2HG2 THR 104 2HG2 THR 104 -0.534 7.141 -11.632 809 3HG2 THR 104 3HG2 THR 104 -1.782 8.243 -11.051 810 H ALA 105 HN ALA 105 -4.436 5.876 -8.744 811 HA ALA 105 HA ALA 105 -5.948 8.222 -9.267 812 1HB ALA 105 1HB ALA 105 -6.454 5.544 -8.167 813 2HB ALA 105 2HB ALA 105 -7.433 6.510 -9.271 814 3HB ALA 105 3HB ALA 105 -7.538 6.782 -7.532 815 H PHE 106 HN PHE 106 -4.490 7.040 -6.273 816 HA PHE 106 HA PHE 106 -5.751 9.278 -4.778 817 1HB PHE 106 2HB PHE 106 -4.146 6.873 -3.879 818 2HB PHE 106 1HB PHE 106 -4.708 8.137 -2.785 819 HD1 PHE 106 HD1 PHE 106 -7.000 8.274 -2.106 820 HD2 PHE 106 HD2 PHE 106 -5.811 5.500 -5.154 821 HE1 PHE 106 HE1 PHE 106 -9.220 7.180 -1.982 822 HE2 PHE 106 HE2 PHE 106 -8.026 4.405 -5.029 823 HZ PHE 106 HZ PHE 106 -9.733 5.246 -3.443 824 H LYS 107 HN LYS 107 -2.964 8.805 -6.566 825 HA LYS 107 HA LYS 107 -0.882 9.796 -4.969 826 1HB LYS 107 2HB LYS 107 0.292 10.239 -6.950 827 2HB LYS 107 1HB LYS 107 -0.847 8.989 -7.438 828 1HG LYS 107 2HG LYS 107 -2.353 10.682 -8.372 829 2HG LYS 107 1HG LYS 107 -1.280 11.968 -7.820 830 1HD LYS 107 2HD LYS 107 0.551 10.828 -9.204 831 2HD LYS 107 1HD LYS 107 -0.745 9.889 -9.945 832 1HE LYS 107 2HE LYS 107 -0.159 11.951 -11.243 833 2HE LYS 107 1HE LYS 107 -1.842 11.916 -10.718 834 1HZ LYS 107 1HE LYS 107 -0.168 13.966 -10.300 835 2HZ LYS 107 2HE LYS 107 -0.006 13.122 -8.835 836 3HZ LYS 107 3HE LYS 107 -1.537 13.647 -9.352 837 H ASP 108 HN ASP 108 -3.423 11.683 -6.661 838 HA ASP 108 HA ASP 108 -2.260 14.241 -6.041 839 1HB ASP 108 2HB ASP 108 -4.274 13.418 -7.660 840 2HB ASP 108 1HB ASP 108 -5.207 14.046 -6.302 841 H ASP 109 HN ASP 109 -4.643 12.193 -4.366 842 HA ASP 109 HA ASP 109 -4.815 14.209 -2.185 843 1HB ASP 109 2HB ASP 109 -6.436 11.755 -2.886 844 2HB ASP 109 1HB ASP 109 -6.629 12.605 -1.353 845 H VAL 110 HN VAL 110 -2.697 13.784 -1.238 846 HA VAL 110 HA VAL 110 -2.583 11.148 0.168 847 HB VAL 110 HB VAL 110 -0.137 12.709 -0.670 848 1HG1 VAL 110 1HG1 VAL 110 1.044 10.903 0.099 849 2HG1 VAL 110 2HG1 VAL 110 -0.203 9.751 -0.377 850 3HG1 VAL 110 3HG1 VAL 110 -0.389 10.689 1.103 851 1HG2 VAL 110 1HG2 VAL 110 -0.730 12.197 -2.804 852 2HG2 VAL 110 2HG2 VAL 110 -1.921 10.997 -2.296 853 3HG2 VAL 110 3HG2 VAL 110 -0.212 10.571 -2.373 854 H ASP 111 HN ASP 111 -1.749 11.218 2.287 855 HA ASP 111 HA ASP 111 -1.348 13.940 3.457 856 1HB ASP 111 2HB ASP 111 -3.214 11.764 4.256 857 2HB ASP 111 1HB ASP 111 -2.359 12.579 5.567 858 H THR 112 HN THR 112 -0.603 10.512 3.477 859 HA THR 112 HA THR 112 1.940 11.109 4.894 860 HB THR 112 HB THR 112 0.260 8.689 5.586 861 HG1 THR 112 HG1 THR 112 0.434 11.186 6.918 862 1HG2 THR 112 1HG2 THR 112 1.764 8.458 7.430 863 2HG2 THR 112 2HG2 THR 112 2.454 10.057 7.155 864 3HG2 THR 112 3HG2 THR 112 2.768 8.750 6.011 865 H LEU 113 HN LEU 113 3.616 9.551 4.370 866 HA LEU 113 HA LEU 113 2.919 7.680 2.145 867 1HB LEU 113 2HB LEU 113 5.283 9.576 2.255 868 2HB LEU 113 1HB LEU 113 5.095 8.292 1.065 869 HG LEU 113 HG LEU 113 2.917 10.332 1.469 870 1HD1 LEU 113 1HD1 LEU 113 5.154 10.612 -0.548 871 2HD1 LEU 113 2HD1 LEU 113 5.189 11.427 1.016 872 3HD1 LEU 113 3HD1 LEU 113 3.907 11.790 -0.140 873 1HD2 LEU 113 1HD2 LEU 113 3.411 9.433 -1.230 874 2HD2 LEU 113 2HD2 LEU 113 1.976 9.192 -0.234 875 3HD2 LEU 113 3HD2 LEU 113 3.305 8.037 -0.157 876 H LEU 114 HN LEU 114 3.694 5.645 2.518 877 HA LEU 114 HA LEU 114 5.950 5.363 4.456 878 1HB LEU 114 2HB LEU 114 3.620 3.445 4.168 879 2HB LEU 114 1HB LEU 114 4.905 3.381 5.373 880 HG LEU 114 HG LEU 114 3.190 5.840 5.145 881 1HD1 LEU 114 1HD1 LEU 114 1.373 4.879 6.091 882 2HD1 LEU 114 2HD1 LEU 114 2.354 3.922 7.200 883 3HD1 LEU 114 3HD1 LEU 114 2.061 3.345 5.560 884 1HD2 LEU 114 1HD2 LEU 114 4.834 6.285 6.689 885 2HD2 LEU 114 2HD2 LEU 114 5.074 4.583 7.080 886 3HD2 LEU 114 3HD2 LEU 114 3.705 5.460 7.763 887 H VAL 115 HN VAL 115 7.609 4.739 3.252 888 HA VAL 115 HA VAL 115 7.140 2.637 1.162 889 HB VAL 115 HB VAL 115 7.691 4.849 0.182 890 1HG1 VAL 115 1HG1 VAL 115 9.851 5.857 0.541 891 2HG1 VAL 115 2HG1 VAL 115 10.390 4.485 1.509 892 3HG1 VAL 115 3HG1 VAL 115 9.139 5.563 2.127 893 1HG2 VAL 115 1HG2 VAL 115 8.314 2.791 -0.997 894 2HG2 VAL 115 2HG2 VAL 115 9.829 2.714 -0.095 895 3HG2 VAL 115 3HG2 VAL 115 9.553 4.024 -1.244 896 H THR 116 HN THR 116 8.453 0.873 1.158 897 HA THR 116 HA THR 116 10.564 0.760 3.276 898 HB THR 116 HB THR 116 9.420 -1.661 1.898 899 HG1 THR 116 HG1 THR 116 7.832 -1.714 3.515 900 1HG2 THR 116 1HG2 THR 116 10.454 -1.164 4.700 901 2HG2 THR 116 2HG2 THR 116 11.402 -1.849 3.381 902 3HG2 THR 116 3HG2 THR 116 10.010 -2.727 4.015 903 H ARG 117 HN ARG 117 12.492 1.263 2.271 904 HA ARG 117 HA ARG 117 12.968 0.366 -0.502 905 1HB ARG 117 2HB ARG 117 14.592 2.050 1.423 906 2HB ARG 117 1HB ARG 117 15.154 1.606 -0.189 907 1HG ARG 117 2HG ARG 117 12.663 2.547 -0.772 908 2HG ARG 117 1HG ARG 117 13.076 3.557 0.613 909 1HD ARG 117 2HD ARG 117 15.397 3.751 -0.699 910 2HD ARG 117 1HD ARG 117 14.356 3.421 -2.080 911 HE ARG 117 HE ARG 117 13.973 5.734 -0.219 912 1HH1 ARG 117 1HH2 ARG 117 13.642 4.203 -3.330 913 2HH1 ARG 117 2HH2 ARG 117 12.946 5.601 -4.064 914 1HH2 ARG 117 1HH1 ARG 117 13.081 7.536 -1.203 915 2HH2 ARG 117 2HH1 ARG 117 12.631 7.473 -2.875 916 H LEU 118 HN LEU 118 13.691 -1.687 -0.774 917 HA LEU 118 HA LEU 118 15.119 -3.076 1.389 918 1HB LEU 118 2HB LEU 118 14.274 -3.926 -1.397 919 2HB LEU 118 1HB LEU 118 15.153 -4.978 -0.288 920 HG LEU 118 HG LEU 118 13.288 -4.474 1.409 921 1HD1 LEU 118 1HD1 LEU 118 11.090 -3.949 0.159 922 2HD1 LEU 118 2HD1 LEU 118 12.123 -3.349 -1.138 923 3HD1 LEU 118 3HD1 LEU 118 12.188 -2.603 0.458 924 1HD2 LEU 118 1HD2 LEU 118 13.610 -6.494 -0.373 925 2HD2 LEU 118 2HD2 LEU 118 12.038 -5.884 -0.894 926 3HD2 LEU 118 3HD2 LEU 118 12.268 -6.428 0.769 927 H ALA 119 HN ALA 119 17.260 -4.055 1.034 928 HA ALA 119 HA ALA 119 19.049 -2.193 -0.353 929 1HB ALA 119 1HB ALA 119 19.311 -3.747 1.896 930 2HB ALA 119 2HB ALA 119 20.657 -3.011 1.026 931 3HB ALA 119 3HB ALA 119 20.211 -4.686 0.703 932 H GLY 120 HN GLY 120 17.736 -5.409 -0.907 933 1HA GLY 120 2HA GLY 120 19.643 -6.076 -3.006 934 2HA GLY 120 1HA GLY 120 18.157 -6.953 -2.640 935 H SER 121 HN SER 121 18.751 -6.560 -5.282 936 HA SER 121 HA SER 121 16.811 -4.426 -6.078 937 1HB SER 121 2HB SER 121 18.124 -4.179 -8.170 938 2HB SER 121 1HB SER 121 19.087 -3.794 -6.747 939 HG SER 121 HG SER 121 20.042 -5.806 -6.884 940 H PHE 122 HN PHE 122 15.004 -5.372 -6.877 941 HA PHE 122 HA PHE 122 15.283 -8.015 -8.244 942 1HB PHE 122 2HB PHE 122 12.768 -6.816 -7.049 943 2HB PHE 122 1HB PHE 122 13.004 -8.476 -7.599 944 HD1 PHE 122 HD1 PHE 122 13.958 -10.123 -6.169 945 HD2 PHE 122 HD2 PHE 122 14.139 -5.971 -5.085 946 HE1 PHE 122 HE1 PHE 122 14.800 -10.746 -3.919 947 HE2 PHE 122 HE2 PHE 122 14.979 -6.593 -2.836 948 HZ PHE 122 HZ PHE 122 15.310 -8.980 -2.250 949 H GLU 123 HN GLU 123 13.759 -8.347 -10.095 950 HA GLU 123 HA GLU 123 13.382 -5.781 -11.587 951 1HB GLU 123 2HB GLU 123 14.397 -8.436 -12.358 952 2HB GLU 123 1HB GLU 123 13.220 -7.764 -13.487 953 1HG GLU 123 HG2 GLU 123 14.522 -5.791 -13.823 954 2HG GLU 123 HG1 GLU 123 15.565 -6.161 -12.450 955 H GLY 124 HN GLY 124 11.486 -5.706 -13.041 956 1HA GLY 124 2HA GLY 124 9.354 -7.611 -12.932 957 2HA GLY 124 1HA GLY 124 9.049 -6.338 -11.748 958 H ASP 125 HN ASP 125 7.168 -5.694 -13.102 959 HA ASP 125 HA ASP 125 8.031 -3.905 -15.312 960 1HB ASP 125 2HB ASP 125 5.959 -6.085 -15.408 961 2HB ASP 125 1HB ASP 125 5.760 -4.640 -16.401 962 H THR 126 HN THR 126 6.230 -4.469 -12.496 963 HA THR 126 HA THR 126 4.608 -1.994 -12.935 964 HB THR 126 HB THR 126 4.072 -4.102 -10.835 965 HG1 THR 126 HG1 THR 126 3.033 -3.882 -13.463 966 1HG2 THR 126 1HG2 THR 126 3.102 -1.722 -10.742 967 2HG2 THR 126 2HG2 THR 126 1.955 -3.058 -10.632 968 3HG2 THR 126 3HG2 THR 126 2.151 -2.187 -12.153 969 H LYS 127 HN LYS 127 5.320 -0.275 -11.790 970 HA LYS 127 HA LYS 127 6.778 -0.796 -9.235 971 1HB LYS 127 2HB LYS 127 7.508 1.221 -11.378 972 2HB LYS 127 1HB LYS 127 8.285 1.099 -9.799 973 1HG LYS 127 2HG LYS 127 9.660 -0.480 -10.621 974 2HG LYS 127 1HG LYS 127 8.263 -1.518 -10.906 975 1HD LYS 127 2HD LYS 127 9.249 -1.309 -13.040 976 2HD LYS 127 1HD LYS 127 7.929 -0.138 -13.070 977 1HE LYS 127 2HE LYS 127 9.343 1.660 -13.077 978 2HE LYS 127 1HE LYS 127 10.524 0.865 -12.037 979 1HZ LYS 127 1HE LYS 127 10.610 1.152 -14.801 980 2HZ LYS 127 2HE LYS 127 10.377 -0.502 -14.495 981 3HZ LYS 127 3HE LYS 127 11.701 0.314 -13.811 982 H MET 128 HN MET 128 6.884 1.244 -7.879 983 HA MET 128 HA MET 128 4.237 2.244 -7.441 984 1HB MET 128 2HB MET 128 6.405 2.074 -5.888 985 2HB MET 128 1HB MET 128 6.587 3.754 -6.398 986 1HG MET 128 2HG MET 128 3.863 2.906 -5.562 987 2HG MET 128 1HG MET 128 5.072 3.037 -4.287 988 1HE MET 128 1HE MET 128 2.534 4.733 -4.220 989 2HE MET 128 2HE MET 128 3.201 6.297 -3.753 990 3HE MET 128 3HE MET 128 3.867 4.822 -3.059 991 H ILE 129 HN ILE 129 3.507 4.459 -7.618 992 HA ILE 129 HA ILE 129 4.242 5.704 -10.139 993 HB ILE 129 HB ILE 129 2.529 7.385 -9.501 994 1HG1 ILE 129 2HG1 ILE 129 1.827 5.900 -7.030 995 2HG1 ILE 129 1HG1 ILE 129 3.280 6.893 -6.933 996 1HG2 ILE 129 1HG2 ILE 129 0.713 5.938 -9.746 997 2HG2 ILE 129 2HG2 ILE 129 1.418 4.716 -8.687 998 3HG2 ILE 129 3HG2 ILE 129 2.045 4.935 -10.321 999 1HD1 ILE 129 1HD1 ILE 129 2.120 8.864 -7.214 1000 2HD1 ILE 129 2HD1 ILE 129 0.847 7.908 -6.455 1001 3HD1 ILE 129 3HD1 ILE 129 0.873 8.111 -8.207 1002 HA PRO 130 HA PRO 130 7.096 8.803 -8.724 1003 1HB PRO 130 2HB PRO 130 6.144 10.989 -10.217 1004 2HB PRO 130 1HB PRO 130 7.316 9.779 -10.759 1005 1HG PRO 130 2HG PRO 130 4.655 10.181 -11.699 1006 2HG PRO 130 1HG PRO 130 5.814 8.944 -12.205 1007 1HD PRO 130 2HD PRO 130 3.498 8.691 -10.434 1008 2HD PRO 130 1HD PRO 130 4.438 7.422 -11.238 1009 H LEU 131 HN LEU 131 6.717 9.372 -6.582 1010 HA LEU 131 HA LEU 131 4.402 11.086 -5.922 1011 1HB LEU 131 2HB LEU 131 6.472 9.601 -4.312 1012 2HB LEU 131 1HB LEU 131 5.463 10.837 -3.558 1013 HG LEU 131 HG LEU 131 4.331 8.539 -5.167 1014 1HD1 LEU 131 1HD1 LEU 131 3.669 7.990 -2.584 1015 2HD1 LEU 131 2HD1 LEU 131 5.273 8.687 -2.359 1016 3HD1 LEU 131 3HD1 LEU 131 5.062 7.282 -3.403 1017 1HD2 LEU 131 1HD2 LEU 131 3.235 10.756 -3.453 1018 2HD2 LEU 131 2HD2 LEU 131 2.337 9.246 -3.609 1019 3HD2 LEU 131 3HD2 LEU 131 2.694 10.212 -5.040 1020 H ASN 132 HN ASN 132 4.728 13.118 -4.729 1021 HA ASN 132 HA ASN 132 7.052 14.600 -5.796 1022 1HB ASN 132 2HB ASN 132 4.563 15.390 -5.777 1023 2HB ASN 132 1HB ASN 132 4.881 15.800 -4.091 1024 1HD2 ASN 132 1HD2 ASN 132 4.955 17.115 -7.163 1025 2HD2 ASN 132 2HD2 ASN 132 6.110 18.333 -6.911 1026 H TRP 133 HN TRP 133 8.372 13.174 -4.190 1027 HA TRP 133 HA TRP 133 8.299 13.443 -1.402 1028 1HB TRP 133 2HB TRP 133 10.812 13.395 -3.102 1029 2HB TRP 133 1HB TRP 133 10.679 12.907 -1.411 1030 HD1 TRP 133 HD1 TRP 133 10.098 11.696 -4.920 1031 HE1 TRP 133 HE1 TRP 133 9.233 9.268 -4.869 1032 HE3 TRP 133 HE3 TRP 133 9.202 11.185 0.080 1033 HZ2 TRP 133 HZ2 TRP 133 8.285 7.362 -2.957 1034 HZ3 TRP 133 HZ3 TRP 133 8.321 9.056 0.988 1035 HH2 TRP 133 HH2 TRP 133 7.862 7.145 -0.522 1036 H ASP 134 HN ASP 134 9.462 15.758 -3.793 1037 HA ASP 134 HA ASP 134 10.849 17.498 -1.993 1038 1HB ASP 134 2HB ASP 134 10.182 17.464 -4.753 1039 2HB ASP 134 1HB ASP 134 9.588 18.993 -4.107 1040 H ASP 135 HN ASP 135 7.431 17.091 -2.699 1041 HA ASP 135 HA ASP 135 6.729 19.591 -1.293 1042 1HB ASP 135 2HB ASP 135 5.538 18.484 -3.375 1043 2HB ASP 135 1HB ASP 135 4.707 17.545 -2.135 1044 H PHE 136 HN PHE 136 7.331 16.349 -0.473 1045 HA PHE 136 HA PHE 136 5.711 16.634 2.030 1046 1HB PHE 136 2HB PHE 136 6.674 14.157 0.575 1047 2HB PHE 136 1HB PHE 136 5.973 14.122 2.191 1048 HD1 PHE 136 HD1 PHE 136 5.291 15.183 -1.318 1049 HD2 PHE 136 HD2 PHE 136 3.627 14.137 2.495 1050 HE1 PHE 136 HE1 PHE 136 3.024 15.170 -2.317 1051 HE2 PHE 136 HE2 PHE 136 1.356 14.124 1.499 1052 HZ PHE 136 HZ PHE 136 1.055 14.640 -0.907 1053 H THR 137 HN THR 137 6.782 15.574 3.968 1054 HA THR 137 HA THR 137 9.757 15.662 3.799 1055 HB THR 137 HB THR 137 8.245 16.878 6.116 1056 HG1 THR 137 HG1 THR 137 7.678 18.169 4.461 1057 1HG2 THR 137 1HG2 THR 137 11.028 16.420 5.387 1058 2HG2 THR 137 2HG2 THR 137 10.343 16.906 6.938 1059 3HG2 THR 137 3HG2 THR 137 10.711 18.123 5.716 1060 H LYS 138 HN LYS 138 10.684 13.944 4.854 1061 HA LYS 138 HA LYS 138 9.004 11.896 5.996 1062 1HB LYS 138 2HB LYS 138 11.165 11.456 4.824 1063 2HB LYS 138 1HB LYS 138 12.013 12.208 6.174 1064 1HG LYS 138 2HG LYS 138 10.242 10.323 7.318 1065 2HG LYS 138 1HG LYS 138 11.007 9.512 5.950 1066 1HD LYS 138 2HD LYS 138 12.673 11.131 7.858 1067 2HD LYS 138 1HD LYS 138 12.208 9.482 8.272 1068 1HE LYS 138 2HE LYS 138 14.094 8.927 7.112 1069 2HE LYS 138 1HE LYS 138 13.050 9.130 5.705 1070 1HZ LYS 138 1HE LYS 138 14.820 11.193 6.899 1071 2HZ LYS 138 2HE LYS 138 13.750 11.464 5.607 1072 3HZ LYS 138 3HE LYS 138 15.057 10.395 5.422 1073 H VAL 139 HN VAL 139 8.161 11.954 8.012 1074 HA VAL 139 HA VAL 139 9.412 13.704 10.051 1075 HB VAL 139 HB VAL 139 7.302 13.234 11.328 1076 1HG1 VAL 139 1HG1 VAL 139 6.417 14.078 8.607 1077 2HG1 VAL 139 2HG1 VAL 139 7.714 15.008 9.357 1078 3HG1 VAL 139 3HG1 VAL 139 6.154 14.860 10.166 1079 1HG2 VAL 139 1HG2 VAL 139 6.308 11.950 8.783 1080 2HG2 VAL 139 2HG2 VAL 139 5.560 11.938 10.380 1081 3HG2 VAL 139 3HG2 VAL 139 7.011 10.982 10.078 1082 H SER 140 HN SER 140 8.960 10.303 9.332 1083 HA SER 140 HA SER 140 10.593 9.662 11.722 1084 1HB SER 140 2HB SER 140 7.782 9.254 11.644 1085 2HB SER 140 1HB SER 140 8.534 7.667 11.508 1086 HG SER 140 HG SER 140 8.773 7.876 13.588 1087 H SER 141 HN SER 141 11.921 7.888 11.405 1088 HA SER 141 HA SER 141 11.435 6.078 9.128 1089 1HB SER 141 2HB SER 141 13.386 8.256 9.052 1090 2HB SER 141 1HB SER 141 14.122 6.682 8.769 1091 HG SER 141 HG SER 141 13.380 7.087 6.817 1092 H ARG 142 HN ARG 142 12.239 4.043 9.567 1093 HA ARG 142 HA ARG 142 14.185 3.785 11.818 1094 1HB ARG 142 2HB ARG 142 11.859 3.211 12.555 1095 2HB ARG 142 1HB ARG 142 11.802 1.976 11.296 1096 1HG ARG 142 2HG ARG 142 14.176 1.386 12.556 1097 2HG ARG 142 1HG ARG 142 13.175 1.936 13.901 1098 1HD ARG 142 2HD ARG 142 11.382 0.369 12.637 1099 2HD ARG 142 1HD ARG 142 12.866 -0.461 12.169 1100 HE ARG 142 HE ARG 142 13.252 -0.198 14.838 1101 1HH1 ARG 142 1HH2 ARG 142 10.476 -1.180 12.988 1102 2HH1 ARG 142 2HH2 ARG 142 9.861 -2.201 14.241 1103 1HH2 ARG 142 1HH1 ARG 142 12.442 -1.536 16.450 1104 2HH2 ARG 142 2HH1 ARG 142 10.966 -2.405 16.188 1105 H THR 143 HN THR 143 15.929 2.483 11.253 1106 HA THR 143 HA THR 143 15.699 0.998 8.675 1107 HB THR 143 HB THR 143 18.291 1.598 10.085 1108 HG1 THR 143 HG1 THR 143 17.185 3.345 8.181 1109 1HG2 THR 143 1HG2 THR 143 18.043 1.834 7.164 1110 2HG2 THR 143 2HG2 THR 143 17.664 0.227 7.785 1111 3HG2 THR 143 3HG2 THR 143 19.232 0.957 8.126 1112 H VAL 144 HN VAL 144 15.799 -1.210 8.742 1113 HA VAL 144 HA VAL 144 16.852 -2.450 11.248 1114 HB VAL 144 HB VAL 144 14.377 -2.562 11.182 1115 1HG1 VAL 144 1HG1 VAL 144 13.183 -3.466 9.406 1116 2HG1 VAL 144 2HG1 VAL 144 14.550 -4.427 8.841 1117 3HG1 VAL 144 3HG1 VAL 144 14.511 -2.689 8.544 1118 1HG2 VAL 144 1HG2 VAL 144 14.797 -4.469 12.316 1119 2HG2 VAL 144 2HG2 VAL 144 16.208 -4.819 11.318 1120 3HG2 VAL 144 3HG2 VAL 144 14.606 -5.336 10.793 1121 H GLU 145 HN GLU 145 18.410 -3.924 10.903 1122 HA GLU 145 HA GLU 145 19.098 -4.669 8.134 1123 1HB GLU 145 2HB GLU 145 20.471 -5.256 10.777 1124 2HB GLU 145 1HB GLU 145 21.120 -5.661 9.188 1125 1HG GLU 145 HG2 GLU 145 20.271 -2.845 9.499 1126 2HG GLU 145 HG1 GLU 145 21.645 -3.321 10.499 1127 H ASP 146 HN ASP 146 19.560 -6.984 7.648 1128 HA ASP 146 HA ASP 146 18.051 -8.902 9.347 1129 1HB ASP 146 2HB ASP 146 16.985 -7.841 6.989 1130 2HB ASP 146 1HB ASP 146 17.613 -9.418 6.510 1131 H THR 147 HN THR 147 18.627 -11.161 8.864 1132 HA THR 147 HA THR 147 21.427 -11.553 8.479 1133 HB THR 147 HB THR 147 20.713 -14.006 8.157 1134 HG1 THR 147 HG1 THR 147 18.205 -13.055 9.009 1135 1HG2 THR 147 1HG2 THR 147 20.431 -12.239 10.489 1136 2HG2 THR 147 2HG2 THR 147 21.252 -13.794 10.347 1137 3HG2 THR 147 3HG2 THR 147 19.511 -13.738 10.620 1138 H ASN 148 HN ASN 148 18.912 -11.068 6.216 1139 HA ASN 148 HA ASN 148 20.575 -12.213 4.016 1140 1HB ASN 148 2HB ASN 148 17.906 -12.584 4.491 1141 2HB ASN 148 1HB ASN 148 17.871 -11.226 3.367 1142 1HD2 ASN 148 1HD2 ASN 148 18.189 -11.699 1.171 1143 2HD2 ASN 148 2HD2 ASN 148 18.707 -13.204 0.582 1144 HA PRO 149 HA PRO 149 21.994 -8.064 3.147 1145 1HB PRO 149 2HB PRO 149 22.411 -8.863 0.397 1146 2HB PRO 149 1HB PRO 149 23.616 -8.535 1.649 1147 1HG PRO 149 2HG PRO 149 22.760 -11.072 0.613 1148 2HG PRO 149 1HG PRO 149 24.028 -10.734 1.798 1149 1HD PRO 149 2HD PRO 149 21.563 -11.977 2.312 1150 2HD PRO 149 1HD PRO 149 22.700 -11.359 3.519 1151 H ALA 150 HN ALA 150 19.904 -9.749 0.783 1152 HA ALA 150 HA ALA 150 18.915 -7.234 -0.315 1153 1HB ALA 150 1HB ALA 150 17.381 -8.684 -1.607 1154 2HB ALA 150 2HB ALA 150 17.902 -10.073 -0.653 1155 3HB ALA 150 3HB ALA 150 19.048 -9.252 -1.713 1156 H LEU 151 HN LEU 151 17.723 -9.619 2.042 1157 HA LEU 151 HA LEU 151 15.085 -8.486 2.225 1158 1HB LEU 151 2HB LEU 151 16.617 -10.119 4.267 1159 2HB LEU 151 1HB LEU 151 14.879 -9.834 4.271 1160 HG LEU 151 HG LEU 151 16.394 -11.198 2.025 1161 1HD1 LEU 151 1HD1 LEU 151 15.837 -12.256 4.502 1162 2HD1 LEU 151 2HD1 LEU 151 16.012 -13.199 3.022 1163 3HD1 LEU 151 3HD1 LEU 151 14.408 -12.720 3.577 1164 1HD2 LEU 151 1HD2 LEU 151 13.409 -11.059 2.534 1165 2HD2 LEU 151 2HD2 LEU 151 14.224 -11.671 1.096 1166 3HD2 LEU 151 3HD2 LEU 151 14.252 -9.947 1.457 1167 H THR 152 HN THR 152 18.003 -7.110 3.111 1168 HA THR 152 HA THR 152 17.209 -5.883 5.627 1169 HB THR 152 HB THR 152 19.273 -4.930 3.609 1170 HG1 THR 152 HG1 THR 152 20.333 -6.619 4.202 1171 1HG2 THR 152 1HG2 THR 152 18.331 -3.870 6.099 1172 2HG2 THR 152 2HG2 THR 152 19.621 -3.256 5.066 1173 3HG2 THR 152 3HG2 THR 152 19.986 -4.437 6.323 1174 H HIS 153 HN HIS 153 16.376 -3.669 5.861 1175 HA HIS 153 HA HIS 153 15.869 -2.069 3.494 1176 1HB HIS 153 2HB HIS 153 13.352 -2.244 3.616 1177 2HB HIS 153 1HB HIS 153 14.164 -3.683 3.004 1178 HD1 HIS 153 HD1 HIS 153 14.691 -5.549 4.997 1179 HD2 HIS 153 HD2 HIS 153 11.638 -2.800 5.705 1180 HE1 HIS 153 HE1 HIS 153 13.276 -6.516 6.860 1181 H THR 154 HN THR 154 14.298 -0.228 4.020 1182 HA THR 154 HA THR 154 14.395 0.484 6.918 1183 HB THR 154 HB THR 154 14.989 2.429 4.675 1184 HG1 THR 154 HG1 THR 154 16.653 0.704 6.131 1185 1HG2 THR 154 1HG2 THR 154 15.842 3.820 6.503 1186 2HG2 THR 154 2HG2 THR 154 15.480 2.542 7.661 1187 3HG2 THR 154 3HG2 THR 154 14.169 3.361 6.818 1188 H TYR 155 HN TYR 155 12.735 2.069 7.518 1189 HA TYR 155 HA TYR 155 10.456 2.116 5.576 1190 1HB TYR 155 2HB TYR 155 10.379 2.318 8.604 1191 2HB TYR 155 1HB TYR 155 8.981 2.273 7.531 1192 HD1 TYR 155 HD1 TYR 155 8.653 0.209 6.051 1193 HD2 TYR 155 HD2 TYR 155 11.395 0.322 9.355 1194 HE1 TYR 155 HE1 TYR 155 8.678 -2.270 6.116 1195 HE2 TYR 155 HE2 TYR 155 11.421 -2.157 9.419 1196 HH TYR 155 HH TYR 155 9.550 -4.032 8.573 1197 H GLU 156 HN GLU 156 9.866 4.138 4.853 1198 HA GLU 156 HA GLU 156 10.847 6.481 6.433 1199 1HB GLU 156 2HB GLU 156 10.341 6.325 3.447 1200 2HB GLU 156 1HB GLU 156 10.983 7.713 4.325 1201 1HG GLU 156 HG2 GLU 156 12.910 6.289 5.060 1202 2HG GLU 156 HG1 GLU 156 12.297 4.998 4.026 1203 H VAL 157 HN VAL 157 9.259 7.724 7.269 1204 HA VAL 157 HA VAL 157 6.514 7.484 6.103 1205 HB VAL 157 HB VAL 157 7.319 8.349 8.897 1206 1HG1 VAL 157 1HG1 VAL 157 4.997 8.901 7.554 1207 2HG1 VAL 157 2HG1 VAL 157 5.113 8.735 9.305 1208 3HG1 VAL 157 3HG1 VAL 157 4.592 7.366 8.324 1209 1HG2 VAL 157 1HG2 VAL 157 7.784 6.087 8.991 1210 2HG2 VAL 157 2HG2 VAL 157 6.671 5.697 7.679 1211 3HG2 VAL 157 3HG2 VAL 157 6.047 6.031 9.295 1212 H TRP 158 HN TRP 158 5.738 9.321 5.114 1213 HA TRP 158 HA TRP 158 7.102 11.899 5.786 1214 1HB TRP 158 2HB TRP 158 5.795 11.084 3.178 1215 2HB TRP 158 1HB TRP 158 6.566 12.633 3.499 1216 HD1 TRP 158 HD1 TRP 158 7.566 8.891 3.729 1217 HE1 TRP 158 HE1 TRP 158 10.003 8.676 2.914 1218 HE3 TRP 158 HE3 TRP 158 8.608 13.791 2.758 1219 HZ2 TRP 158 HZ2 TRP 158 12.116 10.363 1.975 1220 HZ3 TRP 158 HZ3 TRP 158 10.834 14.462 1.905 1221 HH2 TRP 158 HH2 TRP 158 12.589 12.755 1.512 1222 H GLN 159 HN GLN 159 5.725 13.831 5.466 1223 HA GLN 159 HA GLN 159 2.804 13.350 5.758 1224 1HB GLN 159 2HB GLN 159 4.533 15.026 7.611 1225 2HB GLN 159 1HB GLN 159 2.771 15.108 7.573 1226 1HG GLN 159 2HG GLN 159 2.793 12.576 7.959 1227 2HG GLN 159 1HG GLN 159 4.505 12.755 8.344 1228 1HE2 GLN 159 1HE2 GLN 159 1.749 12.356 9.958 1229 2HE2 GLN 159 2HE2 GLN 159 1.989 13.380 11.290 1230 H LYS 160 HN LYS 160 1.566 15.109 4.802 1231 HA LYS 160 HA LYS 160 3.122 16.751 2.955 1232 1HB LYS 160 2HB LYS 160 0.785 15.658 2.581 1233 2HB LYS 160 1HB LYS 160 0.170 17.060 3.455 1234 1HG LYS 160 2HG LYS 160 0.979 18.576 1.834 1235 2HG LYS 160 1HG LYS 160 2.074 17.381 1.138 1236 1HD LYS 160 2HD LYS 160 0.386 17.254 -0.422 1237 2HD LYS 160 1HD LYS 160 -0.231 16.077 0.737 1238 1HE LYS 160 2HE LYS 160 -1.063 18.670 1.604 1239 2HE LYS 160 1HE LYS 160 -1.448 18.523 -0.111 1240 1HZ LYS 160 1HE LYS 160 -3.196 17.680 1.417 1241 2HZ LYS 160 2HE LYS 160 -2.122 16.458 1.908 1242 3HZ LYS 160 3HE LYS 160 -2.648 16.533 0.295 1243 H LYS 161 HN LYS 161 3.697 18.848 3.257 1244 HA LYS 161 HA LYS 161 3.101 20.120 5.833 1245 1HB LYS 161 2HB LYS 161 4.646 21.182 3.447 1246 2HB LYS 161 1HB LYS 161 4.641 21.867 5.072 1247 1HG LYS 161 2HG LYS 161 5.413 18.989 4.643 1248 2HG LYS 161 1HG LYS 161 6.595 20.275 4.395 1249 1HD LYS 161 2HD LYS 161 5.571 21.054 6.776 1250 2HD LYS 161 1HD LYS 161 5.352 19.309 6.913 1251 1HE LYS 161 2HE LYS 161 7.736 18.967 6.365 1252 2HE LYS 161 1HE LYS 161 7.956 20.712 6.239 1253 1HZ LYS 161 1HE LYS 161 8.365 20.700 8.404 1254 2HZ LYS 161 2HE LYS 161 7.911 19.070 8.557 1255 3HZ LYS 161 3HE LYS 161 6.740 20.295 8.673 1256 H ALA 162 HN ALA 162 2.281 22.382 5.889 1257 HA ALA 162 HA ALA 162 0.641 23.216 3.571 1258 1HB ALA 162 1HB ALA 162 -1.240 22.313 4.444 1259 2HB ALA 162 2HB ALA 162 -1.135 23.557 5.688 1260 3HB ALA 162 3HB ALA 162 -0.446 21.960 5.978 1261 AH51 NDP 168 AH51 NDP 168 -5.582 -0.896 -9.404 1262 AH52 NDP 168 AH52 NDP 168 -5.820 -2.058 -8.095 1263 AH4* NDP 168 AH4* NDP 168 -7.487 -3.263 -9.566 1264 AH3* NDP 168 AH3* NDP 168 -6.982 -0.948 -11.451 1265 AHO3 NDP 168 AHO3 NDP 168 -6.110 -3.026 -11.961 1266 AH2* NDP 168 AH2* NDP 168 -9.313 -1.051 -12.008 1267 AH1* NDP 168 AH1* NDP 168 -10.211 -1.350 -9.402 1268 AH8 NDP 168 AH8 NDP 168 -7.234 0.999 -10.055 1269 AH61 NDP 168 AH61 NDP 168 -11.537 5.470 -9.964 1270 AH62 NDP 168 AH62 NDP 168 -9.822 5.137 -9.916 1271 AH2 NDP 168 AH2 NDP 168 -13.635 1.521 -9.667 1272 NH51 NDP 168 NH51 NDP 168 -1.522 -5.336 -9.283 1273 NH52 NDP 168 NH52 NDP 168 -1.374 -4.239 -7.902 1274 NH4* NDP 168 NH4* NDP 168 0.839 -6.005 -9.055 1275 NH3* NDP 168 NH3* NDP 168 -0.771 -6.271 -6.503 1276 NHO3 NDP 168 NHO3 NDP 168 -0.840 -7.565 -8.721 1277 NH2* NDP 168 NH2* NDP 168 1.200 -7.224 -5.515 1278 NHO2 NDP 168 NHO2 NDP 168 2.220 -7.428 -8.158 1279 NH1* NDP 168 NH1* NDP 168 2.965 -5.381 -6.621 1280 NH2 NDP 168 NH2 NDP 168 3.490 -3.840 -4.866 1281 NH71 NDP 168 NH71 NDP 168 4.884 -3.146 -4.190 1282 NH72 NDP 168 NH72 NDP 168 5.321 -2.022 -2.926 1283 NH41 NDP 168 NH41 NDP 168 0.396 -2.428 -2.806 1284 NH42 NDP 168 NH42 NDP 168 0.883 -3.870 -1.852 1285 NH5 NDP 168 NH5 NDP 168 -1.170 -4.322 -3.179 1286 NH6 NDP 168 NH6 NDP 168 -0.506 -5.553 -5.299 1287 H1 TRR 170 H1 TRR 170 4.765 -5.500 1.821 1288 1H2 TRR 170 1H2 TRR 170 5.822 -3.545 2.695 1289 2H2 TRR 170 2H2 TRR 170 5.015 -2.040 2.622 1290 1H4 TRR 170 1H4 TRR 170 -0.105 -3.148 0.049 1291 2H4 TRR 170 2H4 TRR 170 0.649 -1.752 0.671 1292 H6 TRR 170 H6 TRR 170 2.942 -6.661 0.754 1293 1H7 TRR 170 1H7 TRR 170 0.632 -5.246 -1.144 1294 2H7 TRR 170 2H7 TRR 170 -0.299 -5.106 0.348 1295 H12 TRR 170 H12 TRR 170 1.200 -7.338 -1.984 1296 H16 TRR 170 H16 TRR 170 0.009 -6.941 2.140 1297 1H17 TRR 170 1H17 TRR 170 0.713 -8.992 -3.700 1298 2H17 TRR 170 2H17 TRR 170 2.036 -10.133 -3.890 1299 3H17 TRR 170 3H17 TRR 170 2.307 -8.603 -3.069 1300 1H18 TRR 170 1H18 TRR 170 2.237 -12.224 -0.139 1301 2H18 TRR 170 2H18 TRR 170 1.639 -12.597 1.471 1302 3H18 TRR 170 3H18 TRR 170 2.505 -11.096 1.182 1303 1H19 TRR 170 1H19 TRR 170 -1.154 -9.284 4.376 1304 2H19 TRR 170 2H19 TRR 170 -0.839 -7.832 3.444 1305 3H19 TRR 170 3H19 TRR 170 0.457 -8.582 4.363 Start of MODEL 15 1 1H THR 1 1H THR 1 -4.932 10.202 3.989 2 2H THR 1 2H THR 1 -6.526 9.728 3.642 3 3H THR 1 3H THR 1 -5.815 11.014 2.790 4 HA THR 1 HA THR 1 -5.621 8.177 2.344 5 HB THR 1 HB THR 1 -4.770 10.476 0.579 6 HG1 THR 1 HG1 THR 1 -6.794 11.034 1.029 7 1HG2 THR 1 1HG2 THR 1 -5.246 8.955 -1.210 8 2HG2 THR 1 2HG2 THR 1 -6.032 7.816 -0.117 9 3HG2 THR 1 3HG2 THR 1 -4.286 8.056 -0.036 10 H ALA 2 HN ALA 2 -3.822 6.997 2.691 11 HA ALA 2 HA ALA 2 -1.189 8.400 2.537 12 1HB ALA 2 1HB ALA 2 -1.480 8.000 4.857 13 2HB ALA 2 2HB ALA 2 -0.468 6.665 4.308 14 3HB ALA 2 3HB ALA 2 -2.192 6.414 4.578 15 H PHE 3 HN PHE 3 0.567 7.062 1.775 16 HA PHE 3 HA PHE 3 -0.373 4.732 0.156 17 1HB PHE 3 2HB PHE 3 1.901 6.687 -0.110 18 2HB PHE 3 1HB PHE 3 2.034 5.096 -0.847 19 HD1 PHE 3 HD1 PHE 3 -1.407 5.966 -0.787 20 HD2 PHE 3 HD2 PHE 3 2.260 6.813 -2.864 21 HE1 PHE 3 HE1 PHE 3 -2.691 6.765 -2.750 22 HE2 PHE 3 HE2 PHE 3 0.966 7.607 -4.817 23 HZ PHE 3 HZ PHE 3 -1.507 7.582 -4.756 24 H LEU 4 HN LEU 4 0.373 2.690 0.723 25 HA LEU 4 HA LEU 4 2.686 2.583 2.611 26 1HB LEU 4 2HB LEU 4 0.687 2.240 3.942 27 2HB LEU 4 1HB LEU 4 0.056 1.078 2.777 28 HG LEU 4 HG LEU 4 1.981 -0.418 3.260 29 1HD1 LEU 4 1HD1 LEU 4 3.464 1.526 4.015 30 2HD1 LEU 4 2HD1 LEU 4 3.539 0.071 5.006 31 3HD1 LEU 4 3HD1 LEU 4 2.599 1.460 5.550 32 1HD2 LEU 4 1HD2 LEU 4 -0.129 -0.704 4.490 33 2HD2 LEU 4 2HD2 LEU 4 0.394 0.481 5.686 34 3HD2 LEU 4 3HD2 LEU 4 1.240 -1.058 5.541 35 H TRP 5 HN TRP 5 4.012 2.014 0.768 36 HA TRP 5 HA TRP 5 3.564 -0.795 -0.128 37 1HB TRP 5 2HB TRP 5 3.987 -0.268 -2.397 38 2HB TRP 5 1HB TRP 5 2.893 1.001 -1.854 39 HD1 TRP 5 HD1 TRP 5 6.224 0.457 -3.383 40 HE1 TRP 5 HE1 TRP 5 7.503 2.689 -3.573 41 HE3 TRP 5 HE3 TRP 5 3.280 3.416 -0.440 42 HZ2 TRP 5 HZ2 TRP 5 7.303 5.372 -2.604 43 HZ3 TRP 5 HZ3 TRP 5 3.847 5.803 -0.092 44 HH2 TRP 5 HH2 TRP 5 5.853 6.784 -1.169 45 H ALA 6 HN ALA 6 5.437 -2.023 -0.358 46 HA ALA 6 HA ALA 6 7.931 -0.761 0.667 47 1HB ALA 6 1HB ALA 6 6.924 -3.599 0.496 48 2HB ALA 6 2HB ALA 6 7.476 -2.712 1.917 49 3HB ALA 6 3HB ALA 6 8.642 -3.268 0.716 50 H GLN 7 HN GLN 7 9.501 -0.273 -0.824 51 HA GLN 7 HA GLN 7 9.421 -1.753 -3.423 52 1HB GLN 7 2HB GLN 7 10.263 0.362 -4.468 53 2HB GLN 7 1HB GLN 7 8.649 0.528 -3.778 54 1HG GLN 7 2HG GLN 7 9.398 1.798 -1.979 55 2HG GLN 7 1HG GLN 7 11.034 1.150 -2.069 56 1HE2 GLN 7 1HE2 GLN 7 12.560 2.376 -3.219 57 2HE2 GLN 7 2HE2 GLN 7 12.177 3.712 -4.193 58 H ASP 8 HN ASP 8 11.529 -1.944 -4.500 59 HA ASP 8 HA ASP 8 13.663 -2.401 -2.543 60 1HB ASP 8 2HB ASP 8 14.860 -3.452 -4.378 61 2HB ASP 8 1HB ASP 8 13.188 -4.011 -4.398 62 H ARG 9 HN ARG 9 15.962 -1.820 -3.878 63 HA ARG 9 HA ARG 9 16.314 0.951 -3.389 64 1HB ARG 9 2HB ARG 9 18.470 0.685 -4.649 65 2HB ARG 9 1HB ARG 9 18.229 -0.522 -3.388 66 1HG ARG 9 2HG ARG 9 18.678 -2.044 -5.003 67 2HG ARG 9 1HG ARG 9 17.044 -1.717 -5.576 68 1HD ARG 9 2HD ARG 9 17.881 -0.885 -7.490 69 2HD ARG 9 1HD ARG 9 18.750 0.347 -6.579 70 HE ARG 9 HE ARG 9 19.876 -2.168 -7.605 71 1HH1 ARG 9 1HH1 ARG 9 20.196 0.536 -5.444 72 2HH1 ARG 9 2HH1 ARG 9 21.907 0.353 -5.288 73 1HH2 ARG 9 1HH2 ARG 9 22.100 -2.390 -7.386 74 2HH2 ARG 9 2HH2 ARG 9 22.980 -1.291 -6.378 75 H ASP 10 HN ASP 10 15.694 -0.762 -6.466 76 HA ASP 10 HA ASP 10 15.876 1.626 -8.081 77 1HB ASP 10 2HB ASP 10 15.165 -1.200 -8.462 78 2HB ASP 10 1HB ASP 10 14.236 -0.103 -9.484 79 H GLY 11 HN GLY 11 13.302 0.073 -6.274 80 1HA GLY 11 2HA GLY 11 11.441 1.469 -5.468 81 2HA GLY 11 1HA GLY 11 11.549 2.392 -6.963 82 H LEU 12 HN LEU 12 11.537 -1.149 -6.635 83 HA LEU 12 HA LEU 12 9.325 -1.299 -8.582 84 1HB LEU 12 2HB LEU 12 11.411 -2.848 -8.456 85 2HB LEU 12 1HB LEU 12 10.562 -3.637 -7.127 86 HG LEU 12 HG LEU 12 8.555 -3.755 -8.766 87 1HD1 LEU 12 1HD1 LEU 12 10.076 -2.223 -10.355 88 2HD1 LEU 12 2HD1 LEU 12 8.906 -3.371 -11.002 89 3HD1 LEU 12 3HD1 LEU 12 10.612 -3.806 -10.917 90 1HD2 LEU 12 1HD2 LEU 12 9.206 -5.918 -9.372 91 2HD2 LEU 12 2HD2 LEU 12 10.252 -5.595 -7.988 92 3HD2 LEU 12 3HD2 LEU 12 10.885 -5.444 -9.627 93 H ILE 13 HN ILE 13 7.374 -2.740 -8.017 94 HA ILE 13 HA ILE 13 6.814 -2.718 -5.094 95 HB ILE 13 HB ILE 13 4.409 -2.135 -5.736 96 1HG1 ILE 13 2HG1 ILE 13 5.405 -0.708 -8.124 97 2HG1 ILE 13 1HG1 ILE 13 5.323 -2.462 -8.301 98 1HG2 ILE 13 1HG2 ILE 13 6.675 -0.534 -5.203 99 2HG2 ILE 13 2HG2 ILE 13 4.984 -0.123 -4.930 100 3HG2 ILE 13 3HG2 ILE 13 5.760 0.307 -6.455 101 1HD1 ILE 13 1HD1 ILE 13 2.942 -1.995 -7.081 102 2HD1 ILE 13 2HD1 ILE 13 3.141 -2.037 -8.832 103 3HD1 ILE 13 3HD1 ILE 13 3.130 -0.491 -7.983 104 H GLY 14 HN GLY 14 6.795 -4.427 -8.069 105 1HA GLY 14 2HA GLY 14 6.381 -6.941 -7.214 106 2HA GLY 14 1HA GLY 14 4.726 -6.343 -7.155 107 H LYS 15 HN LYS 15 6.013 -8.419 -8.915 108 HA LYS 15 HA LYS 15 5.188 -7.189 -11.514 109 1HB LYS 15 2HB LYS 15 7.670 -7.521 -11.391 110 2HB LYS 15 1HB LYS 15 7.388 -9.247 -11.163 111 1HG LYS 15 2HG LYS 15 5.848 -8.804 -13.355 112 2HG LYS 15 1HG LYS 15 7.105 -7.598 -13.612 113 1HD LYS 15 2HD LYS 15 8.834 -9.349 -13.335 114 2HD LYS 15 1HD LYS 15 7.561 -10.554 -13.124 115 1HE LYS 15 2HE LYS 15 6.962 -10.516 -15.346 116 2HE LYS 15 1HE LYS 15 7.396 -8.819 -15.542 117 1HZ LYS 15 1HE LYS 15 9.235 -9.568 -16.510 118 2HZ LYS 15 2HE LYS 15 8.973 -11.163 -15.986 119 3HZ LYS 15 3HE LYS 15 9.762 -10.051 -14.972 120 H ASP 16 HN ASP 16 3.768 -8.401 -12.711 121 HA ASP 16 HA ASP 16 2.232 -10.083 -13.189 122 1HB ASP 16 2HB ASP 16 4.781 -11.435 -12.513 123 2HB ASP 16 1HB ASP 16 3.345 -12.459 -12.514 124 H GLY 17 HN GLY 17 1.453 -8.903 -10.796 125 1HA GLY 17 2HA GLY 17 -0.060 -9.444 -9.106 126 2HA GLY 17 1HA GLY 17 0.143 -11.144 -9.511 127 H HIS 18 HN HIS 18 2.058 -12.240 -8.632 128 HA HIS 18 HA HIS 18 2.399 -11.830 -5.863 129 1HB HIS 18 2HB HIS 18 4.343 -13.390 -6.090 130 2HB HIS 18 1HB HIS 18 2.889 -13.968 -6.901 131 HD1 HIS 18 HD1 HIS 18 6.347 -12.724 -7.559 132 HD2 HIS 18 HD2 HIS 18 2.998 -13.851 -9.770 133 HE1 HIS 18 HE1 HIS 18 7.121 -12.963 -9.959 134 H LEU 19 HN LEU 19 5.106 -11.885 -5.290 135 HA LEU 19 HA LEU 19 5.972 -9.139 -6.094 136 1HB LEU 19 2HB LEU 19 6.267 -10.698 -3.526 137 2HB LEU 19 1HB LEU 19 7.367 -9.373 -3.907 138 HG LEU 19 HG LEU 19 4.437 -8.880 -4.218 139 1HD1 LEU 19 1HD1 LEU 19 4.995 -10.083 -1.955 140 2HD1 LEU 19 2HD1 LEU 19 4.010 -8.620 -1.934 141 3HD1 LEU 19 3HD1 LEU 19 5.723 -8.535 -1.521 142 1HD2 LEU 19 1HD2 LEU 19 6.575 -7.323 -4.602 143 2HD2 LEU 19 2HD2 LEU 19 6.384 -7.055 -2.869 144 3HD2 LEU 19 3HD2 LEU 19 5.064 -6.667 -3.973 145 HA PRO 20 HA PRO 20 9.715 -10.913 -7.690 146 1HB PRO 20 2HB PRO 20 11.430 -8.776 -7.068 147 2HB PRO 20 1HB PRO 20 10.425 -8.925 -8.516 148 1HG PRO 20 2HG PRO 20 10.147 -7.041 -6.417 149 2HG PRO 20 1HG PRO 20 9.061 -7.287 -7.791 150 1HD PRO 20 2HD PRO 20 8.770 -8.189 -4.990 151 2HD PRO 20 1HD PRO 20 7.529 -7.938 -6.232 152 H TRP 21 HN TRP 21 9.948 -9.599 -4.399 153 HA TRP 21 HA TRP 21 12.234 -11.451 -3.892 154 1HB TRP 21 2HB TRP 21 12.715 -9.956 -1.942 155 2HB TRP 21 1HB TRP 21 12.783 -9.104 -3.482 156 HD1 TRP 21 HD1 TRP 21 10.429 -9.631 -0.482 157 HE1 TRP 21 HE1 TRP 21 8.804 -7.631 -0.368 158 HE3 TRP 21 HE3 TRP 21 11.787 -7.145 -4.736 159 HZ2 TRP 21 HZ2 TRP 21 8.171 -5.282 -1.876 160 HZ3 TRP 21 HZ3 TRP 21 10.661 -5.028 -5.369 161 HH2 TRP 21 HH2 TRP 21 8.857 -4.095 -3.946 162 H HIS 22 HN HIS 22 11.948 -11.310 -1.037 163 HA HIS 22 HA HIS 22 9.263 -12.285 -0.369 164 1HB HIS 22 2HB HIS 22 10.697 -14.243 -1.350 165 2HB HIS 22 1HB HIS 22 11.552 -14.163 0.191 166 HD1 HIS 22 HD1 HIS 22 7.950 -14.410 -1.052 167 HD2 HIS 22 HD2 HIS 22 10.284 -15.577 2.198 168 HE1 HIS 22 HE1 HIS 22 6.454 -15.808 0.438 169 H LEU 23 HN LEU 23 9.205 -10.661 1.215 170 HA LEU 23 HA LEU 23 11.189 -10.981 3.431 171 1HB LEU 23 2HB LEU 23 11.538 -8.901 2.043 172 2HB LEU 23 1HB LEU 23 9.938 -8.365 2.557 173 HG LEU 23 HG LEU 23 10.698 -8.613 4.942 174 1HD1 LEU 23 1HD1 LEU 23 13.307 -8.569 5.081 175 2HD1 LEU 23 2HD1 LEU 23 13.225 -9.317 3.486 176 3HD1 LEU 23 3HD1 LEU 23 12.489 -10.118 4.874 177 1HD2 LEU 23 1HD2 LEU 23 11.498 -6.453 4.963 178 2HD2 LEU 23 2HD2 LEU 23 10.993 -6.507 3.272 179 3HD2 LEU 23 3HD2 LEU 23 12.682 -6.774 3.696 180 HA PRO 24 HA PRO 24 7.189 -11.678 5.488 181 1HB PRO 24 2HB PRO 24 8.594 -12.618 7.781 182 2HB PRO 24 1HB PRO 24 7.744 -13.586 6.570 183 1HG PRO 24 2HG PRO 24 10.547 -13.413 7.005 184 2HG PRO 24 1HG PRO 24 9.696 -14.321 5.748 185 1HD PRO 24 2HD PRO 24 11.209 -11.857 5.499 186 2HD PRO 24 1HD PRO 24 10.540 -12.886 4.223 187 H ASP 25 HN ASP 25 10.127 -10.210 6.820 188 HA ASP 25 HA ASP 25 8.936 -8.894 9.054 189 1HB ASP 25 2HB ASP 25 11.472 -9.141 8.175 190 2HB ASP 25 1HB ASP 25 11.131 -7.513 7.590 191 H ASP 26 HN ASP 26 8.998 -8.121 5.629 192 HA ASP 26 HA ASP 26 8.086 -5.374 6.011 193 1HB ASP 26 2HB ASP 26 9.322 -5.816 4.003 194 2HB ASP 26 1HB ASP 26 8.285 -7.178 3.586 195 H LEU 27 HN LEU 27 6.575 -8.476 5.068 196 HA LEU 27 HA LEU 27 3.953 -7.566 4.598 197 1HB LEU 27 2HB LEU 27 4.869 -10.131 5.938 198 2HB LEU 27 1HB LEU 27 3.232 -9.843 5.345 199 HG LEU 27 HG LEU 27 5.541 -9.406 3.483 200 1HD1 LEU 27 1HD1 LEU 27 5.178 -11.848 4.829 201 2HD1 LEU 27 2HD1 LEU 27 6.116 -11.583 3.361 202 3HD1 LEU 27 3HD1 LEU 27 4.428 -12.080 3.250 203 1HD2 LEU 27 1HD2 LEU 27 2.821 -10.630 2.978 204 2HD2 LEU 27 2HD2 LEU 27 3.904 -9.866 1.814 205 3HD2 LEU 27 3HD2 LEU 27 3.065 -8.884 3.014 206 H HIS 28 HN HIS 28 5.560 -8.343 7.672 207 HA HIS 28 HA HIS 28 3.282 -7.931 9.360 208 1HB HIS 28 2HB HIS 28 6.239 -7.544 9.935 209 2HB HIS 28 1HB HIS 28 4.972 -7.592 11.162 210 HD1 HIS 28 HD1 HIS 28 3.273 -9.917 10.328 211 HD2 HIS 28 HD2 HIS 28 7.432 -10.032 10.072 212 HE1 HIS 28 HE1 HIS 28 3.923 -12.365 10.311 213 H TYR 29 HN TYR 29 5.764 -5.750 8.073 214 HA TYR 29 HA TYR 29 4.968 -3.409 9.527 215 1HB TYR 29 2HB TYR 29 7.097 -3.708 8.157 216 2HB TYR 29 1HB TYR 29 6.107 -3.460 6.719 217 HD1 TYR 29 HD1 TYR 29 6.735 -1.893 10.073 218 HD2 TYR 29 HD2 TYR 29 5.848 -1.287 5.913 219 HE1 TYR 29 HE1 TYR 29 6.870 0.561 10.402 220 HE2 TYR 29 HE2 TYR 29 5.983 1.168 6.243 221 HH TYR 29 HH TYR 29 6.943 2.768 7.759 222 H PHE 30 HN PHE 30 3.809 -4.940 6.586 223 HA PHE 30 HA PHE 30 2.110 -2.763 5.738 224 1HB PHE 30 2HB PHE 30 2.839 -4.547 4.192 225 2HB PHE 30 1HB PHE 30 1.924 -5.730 5.127 226 HD1 PHE 30 HD1 PHE 30 1.289 -2.305 3.703 227 HD2 PHE 30 HD2 PHE 30 -0.103 -6.336 4.186 228 HE1 PHE 30 HE1 PHE 30 -0.757 -1.753 2.412 229 HE2 PHE 30 HE2 PHE 30 -2.148 -5.789 2.894 230 HZ PHE 30 HZ PHE 30 -2.475 -3.496 2.007 231 H ARG 31 HN ARG 31 1.429 -5.834 7.458 232 HA ARG 31 HA ARG 31 -1.351 -5.284 7.883 233 1HB ARG 31 2HB ARG 31 -0.100 -7.520 8.136 234 2HB ARG 31 1HB ARG 31 0.378 -6.936 9.730 235 1HG ARG 31 2HG ARG 31 -2.006 -6.612 10.317 236 2HG ARG 31 1HG ARG 31 -2.471 -7.235 8.733 237 1HD ARG 31 2HD ARG 31 -2.637 -9.130 10.119 238 2HD ARG 31 1HD ARG 31 -1.046 -9.312 9.380 239 HE ARG 31 HE ARG 31 -0.722 -7.852 11.796 240 1HH1 ARG 31 1HH2 ARG 31 -1.653 -10.998 10.665 241 2HH1 ARG 31 2HH2 ARG 31 -1.095 -11.805 12.091 242 1HH2 ARG 31 1HH1 ARG 31 0.000 -8.911 13.645 243 2HH2 ARG 31 2HH1 ARG 31 -0.164 -10.630 13.770 244 H ALA 32 HN ALA 32 1.549 -4.587 9.813 245 HA ALA 32 HA ALA 32 0.104 -3.570 12.095 246 1HB ALA 32 1HB ALA 32 2.250 -4.020 12.749 247 2HB ALA 32 2HB ALA 32 2.502 -2.334 12.295 248 3HB ALA 32 3HB ALA 32 2.923 -3.624 11.168 249 H GLN 33 HN GLN 33 1.541 -2.048 9.227 250 HA GLN 33 HA GLN 33 1.003 0.657 10.049 251 1HB GLN 33 2HB GLN 33 1.573 -0.633 7.382 252 2HB GLN 33 1HB GLN 33 1.275 1.099 7.534 253 1HG GLN 33 2HG GLN 33 3.368 -0.385 9.144 254 2HG GLN 33 1HG GLN 33 3.716 0.455 7.632 255 1HE2 GLN 33 1HE2 GLN 33 2.616 2.845 7.699 256 2HE2 GLN 33 2HE2 GLN 33 2.963 3.719 9.112 257 H THR 34 HN THR 34 -1.094 -1.809 8.913 258 HA THR 34 HA THR 34 -3.146 0.272 8.244 259 HB THR 34 HB THR 34 -4.247 -1.552 6.888 260 HG1 THR 34 HG1 THR 34 -1.733 -2.817 7.198 261 1HG2 THR 34 1HG2 THR 34 -1.494 -0.513 6.234 262 2HG2 THR 34 2HG2 THR 34 -3.053 0.059 5.642 263 3HG2 THR 34 3HG2 THR 34 -2.408 -1.482 5.079 264 H VAL 35 HN VAL 35 -2.497 -0.916 10.907 265 HA VAL 35 HA VAL 35 -4.677 -2.762 11.506 266 HB VAL 35 HB VAL 35 -3.931 -2.520 13.842 267 1HG1 VAL 35 1HG1 VAL 35 -2.704 -4.011 12.261 268 2HG1 VAL 35 2HG1 VAL 35 -1.668 -3.381 13.539 269 3HG1 VAL 35 3HG1 VAL 35 -1.596 -2.689 11.919 270 1HG2 VAL 35 1HG2 VAL 35 -1.618 -0.987 13.701 271 2HG2 VAL 35 2HG2 VAL 35 -3.146 -0.470 14.413 272 3HG2 VAL 35 3HG2 VAL 35 -2.770 -0.060 12.740 273 H GLY 36 HN GLY 36 -6.765 -2.060 11.630 274 1HA GLY 36 2HA GLY 36 -8.584 -0.805 12.423 275 2HA GLY 36 1HA GLY 36 -7.453 0.172 13.353 276 H LYS 37 HN LYS 37 -6.683 -0.056 9.999 277 HA LYS 37 HA LYS 37 -7.936 2.630 9.572 278 1HB LYS 37 2HB LYS 37 -5.276 1.604 8.546 279 2HB LYS 37 1HB LYS 37 -5.991 3.163 8.129 280 1HG LYS 37 2HG LYS 37 -5.769 3.994 10.319 281 2HG LYS 37 1HG LYS 37 -5.590 2.380 11.010 282 1HD LYS 37 2HD LYS 37 -3.393 2.133 10.021 283 2HD LYS 37 1HD LYS 37 -3.576 3.648 9.135 284 1HE LYS 37 2HE LYS 37 -3.848 4.799 11.385 285 2HE LYS 37 1HE LYS 37 -3.345 3.281 12.130 286 1HZ LYS 37 1HE LYS 37 -1.749 4.635 10.037 287 2HZ LYS 37 2HE LYS 37 -1.261 3.389 11.083 288 3HZ LYS 37 3HE LYS 37 -1.537 4.952 11.690 289 H ILE 38 HN ILE 38 -8.172 3.127 7.142 290 HA ILE 38 HA ILE 38 -9.559 0.860 5.896 291 HB ILE 38 HB ILE 38 -9.058 3.651 4.816 292 1HG1 ILE 38 2HG1 ILE 38 -11.449 2.535 6.319 293 2HG1 ILE 38 1HG1 ILE 38 -10.268 3.666 6.983 294 1HG2 ILE 38 1HG2 ILE 38 -10.070 1.347 3.570 295 2HG2 ILE 38 2HG2 ILE 38 -10.219 3.006 2.994 296 3HG2 ILE 38 3HG2 ILE 38 -11.495 2.300 3.986 297 1HD1 ILE 38 1HD1 ILE 38 -11.940 4.215 4.515 298 2HD1 ILE 38 2HD1 ILE 38 -10.876 5.349 5.345 299 3HD1 ILE 38 3HD1 ILE 38 -12.348 4.786 6.133 300 H MET 39 HN MET 39 -8.521 -0.566 4.592 301 HA MET 39 HA MET 39 -5.938 0.265 3.356 302 1HB MET 39 2HB MET 39 -6.061 -1.805 4.815 303 2HB MET 39 1HB MET 39 -7.087 -2.529 3.576 304 1HG MET 39 2HG MET 39 -5.142 -1.802 1.956 305 2HG MET 39 1HG MET 39 -4.181 -1.795 3.435 306 1HE MET 39 1HE MET 39 -6.107 -4.831 0.967 307 2HE MET 39 2HE MET 39 -6.824 -3.338 1.567 308 3HE MET 39 3HE MET 39 -7.125 -4.854 2.412 309 H VAL 40 HN VAL 40 -6.269 1.070 1.314 310 HA VAL 40 HA VAL 40 -8.482 0.004 -0.330 311 HB VAL 40 HB VAL 40 -6.476 2.172 -1.001 312 1HG1 VAL 40 1HG1 VAL 40 -8.264 0.836 -2.631 313 2HG1 VAL 40 2HG1 VAL 40 -7.621 2.448 -2.937 314 3HG1 VAL 40 3HG1 VAL 40 -9.183 2.258 -2.139 315 1HG2 VAL 40 1HG2 VAL 40 -9.061 3.219 -0.423 316 2HG2 VAL 40 2HG2 VAL 40 -7.565 3.487 0.471 317 3HG2 VAL 40 3HG2 VAL 40 -8.627 2.151 0.910 318 H VAL 41 HN VAL 41 -8.119 -1.715 -1.586 319 HA VAL 41 HA VAL 41 -5.465 -1.979 -2.936 320 HB VAL 41 HB VAL 41 -5.826 -4.515 -2.673 321 1HG1 VAL 41 1HG1 VAL 41 -4.207 -2.978 -1.390 322 2HG1 VAL 41 2HG1 VAL 41 -4.589 -4.534 -0.654 323 3HG1 VAL 41 3HG1 VAL 41 -5.368 -3.065 -0.066 324 1HG2 VAL 41 1HG2 VAL 41 -7.152 -5.117 -0.640 325 2HG2 VAL 41 2HG2 VAL 41 -8.151 -4.464 -1.937 326 3HG2 VAL 41 3HG2 VAL 41 -7.724 -3.452 -0.557 327 H GLY 42 HN GLY 42 -5.650 -2.339 -5.115 328 1HA GLY 42 2HA GLY 42 -8.176 -2.206 -6.426 329 2HA GLY 42 1HA GLY 42 -6.661 -2.668 -7.199 330 H ARG 43 HN ARG 43 -9.360 -3.810 -7.545 331 HA ARG 43 HA ARG 43 -9.832 -6.250 -6.278 332 1HB ARG 43 2HB ARG 43 -11.329 -5.180 -7.943 333 2HB ARG 43 1HB ARG 43 -10.209 -5.638 -9.223 334 1HG ARG 43 2HG ARG 43 -10.967 -7.880 -7.478 335 2HG ARG 43 1HG ARG 43 -12.329 -7.174 -8.349 336 1HD ARG 43 2HD ARG 43 -9.731 -8.082 -9.625 337 2HD ARG 43 1HD ARG 43 -11.245 -8.986 -9.653 338 HE ARG 43 HE ARG 43 -11.585 -6.300 -10.699 339 1HH1 ARG 43 1HH2 ARG 43 -10.466 -9.511 -11.403 340 2HH1 ARG 43 2HH2 ARG 43 -10.729 -9.357 -13.107 341 1HH2 ARG 43 1HH1 ARG 43 -11.922 -6.115 -12.925 342 2HH2 ARG 43 2HH1 ARG 43 -11.548 -7.450 -13.963 343 H ARG 44 HN ARG 44 -7.206 -5.511 -8.453 344 HA ARG 44 HA ARG 44 -6.743 -8.301 -9.204 345 1HB ARG 44 2HB ARG 44 -5.102 -5.789 -9.514 346 2HB ARG 44 1HB ARG 44 -4.579 -7.361 -10.109 347 1HG ARG 44 2HG ARG 44 -7.326 -6.682 -10.892 348 2HG ARG 44 1HG ARG 44 -6.127 -5.552 -11.521 349 1HD ARG 44 2HD ARG 44 -5.377 -8.406 -11.724 350 2HD ARG 44 1HD ARG 44 -6.751 -7.922 -12.719 351 HE ARG 44 HE ARG 44 -4.656 -6.002 -13.034 352 1HH1 ARG 44 1HH1 ARG 44 -5.489 -9.287 -13.782 353 2HH1 ARG 44 2HH1 ARG 44 -4.523 -9.329 -15.218 354 1HH2 ARG 44 1HH2 ARG 44 -3.403 -6.067 -14.902 355 2HH2 ARG 44 2HH2 ARG 44 -3.348 -7.516 -15.849 356 H THR 45 HN THR 45 -5.179 -5.951 -6.992 357 HA THR 45 HA THR 45 -3.241 -7.878 -6.024 358 HB THR 45 HB THR 45 -4.231 -5.475 -4.478 359 HG1 THR 45 HG1 THR 45 -2.427 -5.619 -6.656 360 1HG2 THR 45 1HG2 THR 45 -2.296 -5.686 -3.275 361 2HG2 THR 45 2HG2 THR 45 -1.374 -6.255 -4.665 362 3HG2 THR 45 3HG2 THR 45 -2.423 -7.368 -3.788 363 H TYR 46 HN TYR 46 -6.322 -6.639 -4.686 364 HA TYR 46 HA TYR 46 -6.363 -8.185 -2.317 365 1HB TYR 46 2HB TYR 46 -8.012 -6.380 -2.913 366 2HB TYR 46 1HB TYR 46 -8.774 -7.512 -4.030 367 HD1 TYR 46 HD1 TYR 46 -9.790 -9.637 -3.156 368 HD2 TYR 46 HD2 TYR 46 -8.365 -6.538 -0.548 369 HE1 TYR 46 HE1 TYR 46 -11.075 -10.623 -1.278 370 HE2 TYR 46 HE2 TYR 46 -9.649 -7.522 1.329 371 HH TYR 46 HH TYR 46 -12.054 -9.850 0.886 372 H GLU 47 HN GLU 47 -7.361 -9.045 -5.615 373 HA GLU 47 HA GLU 47 -8.353 -11.669 -4.864 374 1HB GLU 47 2HB GLU 47 -7.784 -10.232 -7.426 375 2HB GLU 47 1HB GLU 47 -7.928 -11.990 -7.472 376 1HG GLU 47 HG2 GLU 47 -10.004 -10.456 -5.965 377 2HG GLU 47 HG1 GLU 47 -10.071 -10.428 -7.728 378 H SER 48 HN SER 48 -5.226 -10.342 -5.315 379 HA SER 48 HA SER 48 -4.036 -13.018 -5.843 380 1HB SER 48 2HB SER 48 -3.346 -10.797 -7.050 381 2HB SER 48 1HB SER 48 -2.450 -10.476 -5.568 382 HG SER 48 HG SER 48 -1.144 -11.599 -7.018 383 H PHE 49 HN PHE 49 -4.591 -10.740 -3.297 384 HA PHE 49 HA PHE 49 -2.493 -11.129 -1.510 385 1HB PHE 49 2HB PHE 49 -5.332 -10.442 -1.302 386 2HB PHE 49 1HB PHE 49 -4.734 -11.281 0.125 387 HD1 PHE 49 HD1 PHE 49 -4.300 -8.301 -2.026 388 HD2 PHE 49 HD2 PHE 49 -3.111 -10.277 1.595 389 HE1 PHE 49 HE1 PHE 49 -3.200 -6.218 -1.245 390 HE2 PHE 49 HE2 PHE 49 -2.011 -8.201 2.371 391 HZ PHE 49 HZ PHE 49 -2.053 -6.171 0.951 392 HA PRO 50 HA PRO 50 -2.651 -15.404 -0.264 393 1HB PRO 50 2HB PRO 50 -1.391 -15.059 2.202 394 2HB PRO 50 1HB PRO 50 -0.574 -15.237 0.643 395 1HG PRO 50 2HG PRO 50 -0.685 -12.923 2.322 396 2HG PRO 50 1HG PRO 50 0.135 -13.107 0.764 397 1HD PRO 50 2HD PRO 50 -2.423 -11.808 1.369 398 2HD PRO 50 1HD PRO 50 -1.399 -11.654 -0.068 399 H LYS 51 HN LYS 51 -3.252 -13.287 2.589 400 HA LYS 51 HA LYS 51 -5.506 -15.129 3.295 401 1HB LYS 51 2HB LYS 51 -3.234 -14.217 4.831 402 2HB LYS 51 1HB LYS 51 -4.729 -13.688 5.600 403 1HG LYS 51 2HG LYS 51 -5.584 -16.057 5.356 404 2HG LYS 51 1HG LYS 51 -3.959 -16.517 4.845 405 1HD LYS 51 2HD LYS 51 -3.056 -16.199 6.942 406 2HD LYS 51 1HD LYS 51 -4.214 -14.937 7.364 407 1HE LYS 51 2HE LYS 51 -5.290 -17.684 6.928 408 2HE LYS 51 1HE LYS 51 -4.370 -17.402 8.405 409 1HZ LYS 51 1HE LYS 51 -6.181 -16.482 9.252 410 2HZ LYS 51 2HE LYS 51 -7.006 -16.597 7.772 411 3HZ LYS 51 3HE LYS 51 -6.058 -15.229 8.114 412 H ARG 52 HN ARG 52 -7.223 -13.958 2.408 413 HA ARG 52 HA ARG 52 -7.544 -11.149 3.391 414 1HB ARG 52 2HB ARG 52 -9.072 -12.316 1.067 415 2HB ARG 52 1HB ARG 52 -8.755 -10.621 1.435 416 1HG ARG 52 2HG ARG 52 -7.087 -10.815 -0.094 417 2HG ARG 52 1HG ARG 52 -6.211 -11.616 1.210 418 1HD ARG 52 2HD ARG 52 -6.246 -12.926 -0.939 419 2HD ARG 52 1HD ARG 52 -6.923 -13.797 0.437 420 HE ARG 52 HE ARG 52 -9.000 -12.380 -0.965 421 1HH1 ARG 52 1HH1 ARG 52 -6.903 -15.140 -1.137 422 2HH1 ARG 52 2HH1 ARG 52 -8.001 -16.061 -2.107 423 1HH2 ARG 52 1HH2 ARG 52 -10.423 -13.588 -2.219 424 2HH2 ARG 52 2HH2 ARG 52 -9.985 -15.188 -2.716 425 HA PRO 53 HA PRO 53 -8.778 -9.736 3.909 426 1HB PRO 53 2HB PRO 53 -10.150 -8.776 6.122 427 2HB PRO 53 1HB PRO 53 -10.732 -8.687 4.453 428 1HG PRO 53 2HG PRO 53 -11.791 -10.241 6.624 429 2HG PRO 53 1HG PRO 53 -12.402 -10.104 4.968 430 1HD PRO 53 2HD PRO 53 -10.811 -12.253 6.182 431 2HD PRO 53 1HD PRO 53 -11.758 -12.266 4.684 432 H LEU 54 HN LEU 54 -7.670 -8.385 5.713 433 HA LEU 54 HA LEU 54 -5.834 -10.092 7.143 434 1HB LEU 54 2HB LEU 54 -6.354 -7.111 7.306 435 2HB LEU 54 1HB LEU 54 -5.053 -7.927 8.172 436 HG LEU 54 HG LEU 54 -5.295 -8.434 5.240 437 1HD1 LEU 54 1HD1 LEU 54 -3.738 -6.039 6.146 438 2HD1 LEU 54 2HD1 LEU 54 -5.474 -5.862 5.885 439 3HD1 LEU 54 3HD1 LEU 54 -4.431 -6.389 4.562 440 1HD2 LEU 54 1HD2 LEU 54 -2.743 -7.774 6.614 441 2HD2 LEU 54 2HD2 LEU 54 -3.099 -9.058 5.459 442 3HD2 LEU 54 3HD2 LEU 54 -3.555 -9.244 7.152 443 HA PRO 55 HA PRO 55 -7.887 -10.929 10.948 444 1HB PRO 55 2HB PRO 55 -5.538 -10.439 12.549 445 2HB PRO 55 1HB PRO 55 -6.258 -11.987 12.089 446 1HG PRO 55 2HG PRO 55 -3.845 -10.872 11.138 447 2HG PRO 55 1HG PRO 55 -4.653 -12.336 10.564 448 1HD PRO 55 2HD PRO 55 -4.427 -9.771 9.251 449 2HD PRO 55 1HD PRO 55 -5.097 -11.281 8.622 450 H GLU 56 HN GLU 56 -9.268 -9.454 11.798 451 HA GLU 56 HA GLU 56 -10.074 -7.513 12.838 452 1HB GLU 56 2HB GLU 56 -7.367 -7.874 14.129 453 2HB GLU 56 1HB GLU 56 -8.490 -6.611 14.634 454 1HG GLU 56 HG2 GLU 56 -10.021 -8.120 15.493 455 2HG GLU 56 HG1 GLU 56 -9.526 -9.407 14.393 456 H ARG 57 HN ARG 57 -9.259 -6.899 10.323 457 HA ARG 57 HA ARG 57 -8.218 -4.149 10.689 458 1HB ARG 57 2HB ARG 57 -7.007 -6.236 8.879 459 2HB ARG 57 1HB ARG 57 -6.783 -4.511 8.595 460 1HG ARG 57 2HG ARG 57 -5.610 -4.208 10.614 461 2HG ARG 57 1HG ARG 57 -6.214 -5.717 11.297 462 1HD ARG 57 2HD ARG 57 -4.804 -6.214 8.824 463 2HD ARG 57 1HD ARG 57 -3.777 -5.338 9.956 464 HE ARG 57 HE ARG 57 -4.602 -8.092 10.216 465 1HH1 ARG 57 1HH2 ARG 57 -3.982 -5.183 11.990 466 2HH1 ARG 57 2HH2 ARG 57 -3.499 -6.015 13.427 467 1HH2 ARG 57 1HH1 ARG 57 -4.000 -9.172 12.099 468 2HH2 ARG 57 2HH1 ARG 57 -3.513 -8.264 13.491 469 H THR 58 HN THR 58 -8.949 -2.702 9.059 470 HA THR 58 HA THR 58 -11.337 -3.658 7.617 471 HB THR 58 HB THR 58 -10.246 -0.848 7.531 472 HG1 THR 58 HG1 THR 58 -10.361 -1.059 9.650 473 1HG2 THR 58 1HG2 THR 58 -12.124 -1.280 6.079 474 2HG2 THR 58 2HG2 THR 58 -12.721 -0.367 7.465 475 3HG2 THR 58 3HG2 THR 58 -12.995 -2.106 7.371 476 H ASN 59 HN ASN 59 -11.211 -4.314 5.542 477 HA ASN 59 HA ASN 59 -8.959 -3.277 3.860 478 1HB ASN 59 2HB ASN 59 -10.370 -5.964 3.727 479 2HB ASN 59 1HB ASN 59 -9.115 -5.422 2.615 480 1HD2 ASN 59 1HD2 ASN 59 -9.595 -5.763 6.187 481 2HD2 ASN 59 2HD2 ASN 59 -8.011 -6.293 6.488 482 H VAL 60 HN VAL 60 -9.589 -2.271 1.937 483 HA VAL 60 HA VAL 60 -12.470 -2.529 1.180 484 HB VAL 60 HB VAL 60 -10.669 -0.138 0.699 485 1HG1 VAL 60 1HG1 VAL 60 -13.102 -0.882 -0.432 486 2HG1 VAL 60 2HG1 VAL 60 -12.428 0.748 -0.412 487 3HG1 VAL 60 3HG1 VAL 60 -13.567 0.249 0.838 488 1HG2 VAL 60 1HG2 VAL 60 -10.932 -0.351 3.098 489 2HG2 VAL 60 2HG2 VAL 60 -12.654 -0.686 2.930 490 3HG2 VAL 60 3HG2 VAL 60 -12.029 0.919 2.555 491 H VAL 61 HN VAL 61 -12.812 -3.164 -0.956 492 HA VAL 61 HA VAL 61 -10.373 -3.498 -2.630 493 HB VAL 61 HB VAL 61 -13.121 -4.687 -3.092 494 1HG1 VAL 61 1HG1 VAL 61 -10.848 -4.578 -4.693 495 2HG1 VAL 61 2HG1 VAL 61 -12.178 -5.721 -4.866 496 3HG1 VAL 61 3HG1 VAL 61 -10.746 -6.170 -3.940 497 1HG2 VAL 61 1HG2 VAL 61 -12.399 -6.666 -1.923 498 2HG2 VAL 61 2HG2 VAL 61 -12.118 -5.302 -0.842 499 3HG2 VAL 61 3HG2 VAL 61 -10.770 -6.022 -1.722 500 H LEU 62 HN LEU 62 -10.362 -2.708 -4.785 501 HA LEU 62 HA LEU 62 -12.556 -0.775 -5.422 502 1HB LEU 62 2HB LEU 62 -9.666 -0.407 -5.287 503 2HB LEU 62 1HB LEU 62 -10.294 0.008 -6.883 504 HG LEU 62 HG LEU 62 -12.111 1.335 -5.633 505 1HD1 LEU 62 1HD1 LEU 62 -10.125 0.795 -3.416 506 2HD1 LEU 62 2HD1 LEU 62 -11.858 0.477 -3.412 507 3HD1 LEU 62 3HD1 LEU 62 -11.267 2.138 -3.367 508 1HD2 LEU 62 1HD2 LEU 62 -10.711 2.854 -6.595 509 2HD2 LEU 62 2HD2 LEU 62 -9.264 1.983 -6.084 510 3HD2 LEU 62 3HD2 LEU 62 -10.087 3.063 -4.959 511 H THR 63 HN THR 63 -13.624 -1.270 -7.278 512 HA THR 63 HA THR 63 -12.180 -2.668 -9.453 513 HB THR 63 HB THR 63 -13.118 -4.463 -8.022 514 HG1 THR 63 HG1 THR 63 -13.333 -5.358 -9.885 515 1HG2 THR 63 1HG2 THR 63 -15.003 -3.162 -7.090 516 2HG2 THR 63 2HG2 THR 63 -15.555 -4.681 -7.798 517 3HG2 THR 63 3HG2 THR 63 -15.778 -3.167 -8.673 518 H HIS 64 HN HIS 64 -13.418 -2.650 -11.477 519 HA HIS 64 HA HIS 64 -15.127 -0.236 -11.650 520 1HB HIS 64 2HB HIS 64 -13.668 -1.935 -13.672 521 2HB HIS 64 1HB HIS 64 -14.886 -0.762 -14.174 522 HD1 HIS 64 HD1 HIS 64 -14.375 1.616 -12.451 523 HD2 HIS 64 HD2 HIS 64 -11.245 -0.655 -14.006 524 HE1 HIS 64 HE1 HIS 64 -12.332 3.114 -12.446 525 H GLN 65 HN GLN 65 -15.691 -3.411 -11.023 526 HA GLN 65 HA GLN 65 -17.964 -3.788 -12.856 527 1HB GLN 65 2HB GLN 65 -16.764 -5.434 -10.622 528 2HB GLN 65 1HB GLN 65 -18.283 -5.883 -11.398 529 1HG GLN 65 2HG GLN 65 -16.677 -7.062 -12.650 530 2HG GLN 65 1HG GLN 65 -16.965 -5.619 -13.624 531 1HE2 GLN 65 1HE2 GLN 65 -14.686 -7.052 -11.271 532 2HE2 GLN 65 2HE2 GLN 65 -13.371 -6.068 -11.702 533 H GLU 66 HN GLU 66 -20.090 -4.526 -11.714 534 HA GLU 66 HA GLU 66 -20.630 -2.648 -9.447 535 1HB GLU 66 2HB GLU 66 -22.148 -3.258 -11.947 536 2HB GLU 66 1HB GLU 66 -23.075 -2.921 -10.485 537 1HG GLU 66 HG2 GLU 66 -21.523 -0.862 -10.222 538 2HG GLU 66 HG1 GLU 66 -21.115 -1.133 -11.917 539 H ASP 67 HN ASP 67 -20.584 -5.910 -10.428 540 HA ASP 67 HA ASP 67 -22.545 -6.654 -8.306 541 1HB ASP 67 2HB ASP 67 -22.361 -7.543 -10.909 542 2HB ASP 67 1HB ASP 67 -21.513 -8.809 -10.020 543 H TYR 68 HN TYR 68 -19.579 -5.884 -8.039 544 HA TYR 68 HA TYR 68 -18.076 -8.224 -7.388 545 1HB TYR 68 2HB TYR 68 -17.291 -5.751 -7.599 546 2HB TYR 68 1HB TYR 68 -17.760 -5.619 -5.905 547 HD1 TYR 68 HD1 TYR 68 -15.647 -7.585 -8.269 548 HD2 TYR 68 HD2 TYR 68 -16.372 -6.475 -4.183 549 HE1 TYR 68 HE1 TYR 68 -13.523 -8.674 -7.597 550 HE2 TYR 68 HE2 TYR 68 -14.247 -7.564 -3.511 551 HH TYR 68 HH TYR 68 -12.701 -9.211 -4.282 552 H GLN 69 HN GLN 69 -18.639 -9.704 -5.881 553 HA GLN 69 HA GLN 69 -20.285 -8.832 -3.558 554 1HB GLN 69 2HB GLN 69 -19.647 -11.611 -4.592 555 2HB GLN 69 1HB GLN 69 -20.716 -11.248 -3.237 556 1HG GLN 69 2HG GLN 69 -21.175 -10.000 -5.942 557 2HG GLN 69 1HG GLN 69 -21.796 -11.608 -5.570 558 1HE2 GLN 69 1HE2 GLN 69 -23.999 -10.540 -5.793 559 2HE2 GLN 69 2HE2 GLN 69 -24.629 -9.699 -4.460 560 H ALA 70 HN ALA 70 -18.973 -8.164 -1.907 561 HA ALA 70 HA ALA 70 -16.808 -10.042 -1.061 562 1HB ALA 70 1HB ALA 70 -15.241 -8.362 -0.865 563 2HB ALA 70 2HB ALA 70 -16.455 -7.121 -0.557 564 3HB ALA 70 3HB ALA 70 -16.180 -7.698 -2.201 565 H GLN 71 HN GLN 71 -18.364 -10.859 0.497 566 HA GLN 71 HA GLN 71 -19.608 -9.076 2.426 567 1HB GLN 71 2HB GLN 71 -19.347 -12.048 2.105 568 2HB GLN 71 1HB GLN 71 -19.851 -11.399 3.666 569 1HG GLN 71 2HG GLN 71 -21.732 -10.262 2.667 570 2HG GLN 71 1HG GLN 71 -21.172 -10.662 1.042 571 1HE2 GLN 71 1HE2 GLN 71 -22.635 -12.030 3.978 572 2HE2 GLN 71 2HE2 GLN 71 -23.132 -13.485 3.258 573 H GLY 72 HN GLY 72 -18.598 -8.175 4.144 574 1HA GLY 72 2HA GLY 72 -17.282 -8.451 6.197 575 2HA GLY 72 1HA GLY 72 -16.278 -9.622 5.339 576 H ALA 73 HN ALA 73 -16.024 -8.026 2.905 577 HA ALA 73 HA ALA 73 -14.169 -5.944 3.967 578 1HB ALA 73 1HB ALA 73 -12.684 -7.032 2.655 579 2HB ALA 73 2HB ALA 73 -13.548 -6.341 1.281 580 3HB ALA 73 3HB ALA 73 -13.957 -7.956 1.859 581 H VAL 74 HN VAL 74 -14.327 -3.871 3.208 582 HA VAL 74 HA VAL 74 -16.830 -2.918 2.208 583 HB VAL 74 HB VAL 74 -14.153 -1.515 1.968 584 1HG1 VAL 74 1HG1 VAL 74 -16.982 -0.454 2.240 585 2HG1 VAL 74 2HG1 VAL 74 -16.061 -0.503 0.736 586 3HG1 VAL 74 3HG1 VAL 74 -15.520 0.517 2.070 587 1HG2 VAL 74 1HG2 VAL 74 -14.172 -1.081 4.203 588 2HG2 VAL 74 2HG2 VAL 74 -15.228 -2.488 4.308 589 3HG2 VAL 74 3HG2 VAL 74 -15.922 -0.869 4.240 590 H VAL 75 HN VAL 75 -17.321 -2.029 0.071 591 HA VAL 75 HA VAL 75 -15.498 -2.895 -2.114 592 HB VAL 75 HB VAL 75 -18.491 -3.408 -2.057 593 1HG1 VAL 75 1HG1 VAL 75 -17.567 -4.878 -4.101 594 2HG1 VAL 75 2HG1 VAL 75 -16.358 -3.594 -4.134 595 3HG1 VAL 75 3HG1 VAL 75 -18.068 -3.200 -4.311 596 1HG2 VAL 75 1HG2 VAL 75 -16.089 -5.109 -1.482 597 2HG2 VAL 75 2HG2 VAL 75 -17.482 -5.848 -2.272 598 3HG2 VAL 75 3HG2 VAL 75 -17.663 -5.097 -0.686 599 H VAL 76 HN VAL 76 -15.227 -1.216 -3.532 600 HA VAL 76 HA VAL 76 -17.439 0.739 -3.872 601 HB VAL 76 HB VAL 76 -15.741 2.606 -3.707 602 1HG1 VAL 76 1HG1 VAL 76 -17.161 2.426 -1.839 603 2HG1 VAL 76 2HG1 VAL 76 -15.551 2.354 -1.124 604 3HG1 VAL 76 3HG1 VAL 76 -16.480 0.874 -1.353 605 1HG2 VAL 76 1HG2 VAL 76 -13.556 2.152 -3.355 606 2HG2 VAL 76 2HG2 VAL 76 -13.941 0.456 -3.643 607 3HG2 VAL 76 3HG2 VAL 76 -13.931 1.091 -1.998 608 H HIS 77 HN HIS 77 -17.139 2.060 -5.837 609 HA HIS 77 HA HIS 77 -15.131 0.959 -7.749 610 1HB HIS 77 2HB HIS 77 -17.968 1.568 -8.592 611 2HB HIS 77 1HB HIS 77 -16.744 0.641 -9.458 612 HD1 HIS 77 HD1 HIS 77 -15.829 -1.401 -7.496 613 HD2 HIS 77 HD2 HIS 77 -19.834 -0.276 -7.746 614 HE1 HIS 77 HE1 HIS 77 -17.172 -3.305 -6.501 615 H ASP 78 HN ASP 78 -15.248 3.465 -6.198 616 HA ASP 78 HA ASP 78 -14.694 5.300 -8.369 617 1HB ASP 78 2HB ASP 78 -17.388 5.219 -7.310 618 2HB ASP 78 1HB ASP 78 -16.647 6.782 -6.967 619 H VAL 79 HN VAL 79 -12.833 6.047 -7.467 620 HA VAL 79 HA VAL 79 -12.004 6.176 -4.855 621 HB VAL 79 HB VAL 79 -11.536 8.214 -7.047 622 1HG1 VAL 79 1HG1 VAL 79 -9.437 8.689 -5.626 623 2HG1 VAL 79 2HG1 VAL 79 -10.310 7.915 -4.304 624 3HG1 VAL 79 3HG1 VAL 79 -10.962 9.370 -5.059 625 1HG2 VAL 79 1HG2 VAL 79 -9.835 5.934 -5.986 626 2HG2 VAL 79 2HG2 VAL 79 -9.439 6.988 -7.342 627 3HG2 VAL 79 3HG2 VAL 79 -10.795 5.869 -7.464 628 H ALA 80 HN ALA 80 -14.299 8.382 -6.380 629 HA ALA 80 HA ALA 80 -14.319 10.441 -4.424 630 1HB ALA 80 1HB ALA 80 -16.938 9.621 -5.569 631 2HB ALA 80 2HB ALA 80 -15.676 10.035 -6.728 632 3HB ALA 80 3HB ALA 80 -16.182 11.213 -5.518 633 H ALA 81 HN ALA 81 -16.076 7.348 -4.544 634 HA ALA 81 HA ALA 81 -17.582 7.777 -2.134 635 1HB ALA 81 1HB ALA 81 -18.540 5.950 -3.059 636 2HB ALA 81 2HB ALA 81 -17.215 5.022 -2.357 637 3HB ALA 81 3HB ALA 81 -17.105 5.598 -4.020 638 H VAL 82 HN VAL 82 -14.506 6.045 -2.768 639 HA VAL 82 HA VAL 82 -14.001 5.132 -0.153 640 HB VAL 82 HB VAL 82 -11.885 6.249 -2.011 641 1HG1 VAL 82 1HG1 VAL 82 -10.377 5.063 -0.758 642 2HG1 VAL 82 2HG1 VAL 82 -11.525 3.771 -0.409 643 3HG1 VAL 82 3HG1 VAL 82 -11.596 5.283 0.497 644 1HG2 VAL 82 1HG2 VAL 82 -12.287 3.391 -2.220 645 2HG2 VAL 82 2HG2 VAL 82 -12.317 4.609 -3.494 646 3HG2 VAL 82 3HG2 VAL 82 -13.787 4.238 -2.596 647 H PHE 83 HN PHE 83 -13.290 8.312 -1.586 648 HA PHE 83 HA PHE 83 -11.871 9.414 0.611 649 1HB PHE 83 2HB PHE 83 -13.469 10.536 -1.657 650 2HB PHE 83 1HB PHE 83 -13.024 11.617 -0.337 651 HD1 PHE 83 HD1 PHE 83 -11.987 10.470 -3.449 652 HD2 PHE 83 HD2 PHE 83 -10.460 11.189 0.500 653 HE1 PHE 83 HE1 PHE 83 -9.692 10.662 -4.369 654 HE2 PHE 83 HE2 PHE 83 -8.168 11.380 -0.422 655 HZ PHE 83 HZ PHE 83 -7.784 11.113 -2.856 656 H ALA 84 HN ALA 84 -15.358 9.185 -0.015 657 HA ALA 84 HA ALA 84 -16.273 10.845 2.095 658 1HB ALA 84 1HB ALA 84 -17.402 8.857 0.317 659 2HB ALA 84 2HB ALA 84 -18.193 10.230 1.092 660 3HB ALA 84 3HB ALA 84 -18.078 8.686 1.937 661 H TYR 85 HN TYR 85 -15.969 7.267 2.163 662 HA TYR 85 HA TYR 85 -16.557 6.752 4.803 663 1HB TYR 85 2HB TYR 85 -15.618 5.224 2.832 664 2HB TYR 85 1HB TYR 85 -14.109 5.423 3.721 665 HD1 TYR 85 HD1 TYR 85 -17.689 5.073 4.810 666 HD2 TYR 85 HD2 TYR 85 -13.690 3.517 5.002 667 HE1 TYR 85 HE1 TYR 85 -18.429 3.369 6.452 668 HE2 TYR 85 HE2 TYR 85 -14.429 1.817 6.647 669 HH TYR 85 HH TYR 85 -16.407 0.724 7.396 670 H ALA 86 HN ALA 86 -13.214 7.480 3.689 671 HA ALA 86 HA ALA 86 -11.998 7.573 6.225 672 1HB ALA 86 1HB ALA 86 -10.789 7.723 4.046 673 2HB ALA 86 2HB ALA 86 -10.276 8.959 5.193 674 3HB ALA 86 3HB ALA 86 -11.368 9.379 3.873 675 H LYS 87 HN LYS 87 -13.566 10.229 4.438 676 HA LYS 87 HA LYS 87 -13.128 12.219 6.464 677 1HB LYS 87 2HB LYS 87 -14.008 12.321 3.917 678 2HB LYS 87 1HB LYS 87 -15.558 12.401 4.754 679 1HG LYS 87 2HG LYS 87 -15.168 14.498 5.521 680 2HG LYS 87 1HG LYS 87 -13.495 14.128 5.941 681 1HD LYS 87 2HD LYS 87 -12.765 14.459 3.676 682 2HD LYS 87 1HD LYS 87 -14.427 14.543 3.090 683 1HE LYS 87 2HE LYS 87 -14.539 16.524 4.896 684 2HE LYS 87 1HE LYS 87 -12.816 16.601 4.524 685 1HZ LYS 87 1HE LYS 87 -15.116 16.975 2.716 686 2HZ LYS 87 2HE LYS 87 -13.598 16.523 2.101 687 3HZ LYS 87 3HE LYS 87 -13.773 17.982 2.953 688 H GLN 88 HN GLN 88 -15.455 9.651 6.118 689 HA GLN 88 HA GLN 88 -17.258 10.834 8.132 690 1HB GLN 88 2HB GLN 88 -17.533 8.956 6.009 691 2HB GLN 88 1HB GLN 88 -17.946 8.123 7.508 692 1HG GLN 88 2HG GLN 88 -19.990 9.083 7.156 693 2HG GLN 88 1HG GLN 88 -19.226 10.480 7.913 694 1HE2 GLN 88 1HE2 GLN 88 -17.503 11.264 5.748 695 2HE2 GLN 88 2HE2 GLN 88 -18.477 11.797 4.464 696 H HIS 89 HN HIS 89 -14.635 8.503 8.049 697 HA HIS 89 HA HIS 89 -15.465 7.417 10.678 698 1HB HIS 89 2HB HIS 89 -13.637 6.570 8.506 699 2HB HIS 89 1HB HIS 89 -13.104 6.189 10.143 700 HD1 HIS 89 HD1 HIS 89 -13.956 4.005 10.965 701 HD2 HIS 89 HD2 HIS 89 -16.589 5.728 8.231 702 HE1 HIS 89 HE1 HIS 89 -15.876 2.376 10.696 703 HA PRO 90 HA PRO 90 -12.622 10.390 12.560 704 1HB PRO 90 2HB PRO 90 -13.613 9.964 15.106 705 2HB PRO 90 1HB PRO 90 -14.281 11.119 13.944 706 1HG PRO 90 2HG PRO 90 -15.441 8.658 14.920 707 2HG PRO 90 1HG PRO 90 -16.176 9.907 13.905 708 1HD PRO 90 2HD PRO 90 -15.110 7.319 13.116 709 2HD PRO 90 1HD PRO 90 -16.043 8.480 12.157 710 H ASP 91 HN ASP 91 -12.620 7.085 12.643 711 HA ASP 91 HA ASP 91 -10.170 7.045 14.330 712 1HB ASP 91 2HB ASP 91 -12.604 5.285 14.658 713 2HB ASP 91 1HB ASP 91 -11.009 4.770 15.210 714 H GLN 92 HN GLN 92 -11.310 6.647 11.388 715 HA GLN 92 HA GLN 92 -9.346 4.544 10.699 716 1HB GLN 92 2HB GLN 92 -11.980 3.836 10.918 717 2HB GLN 92 1HB GLN 92 -11.924 4.366 9.238 718 1HG GLN 92 2HG GLN 92 -10.559 2.643 8.599 719 2HG GLN 92 1HG GLN 92 -9.698 2.624 10.134 720 1HE2 GLN 92 1HE2 GLN 92 -12.811 1.663 8.636 721 2HE2 GLN 92 2HE2 GLN 92 -13.137 0.419 9.745 722 H GLU 93 HN GLU 93 -8.053 6.054 9.519 723 HA GLU 93 HA GLU 93 -9.377 7.984 7.766 724 1HB GLU 93 2HB GLU 93 -6.494 7.336 8.411 725 2HB GLU 93 1HB GLU 93 -6.935 8.510 7.172 726 1HG GLU 93 HG2 GLU 93 -8.344 9.682 8.917 727 2HG GLU 93 HG1 GLU 93 -7.619 8.612 10.118 728 H LEU 94 HN LEU 94 -7.592 7.977 5.603 729 HA LEU 94 HA LEU 94 -8.440 5.474 4.227 730 1HB LEU 94 2HB LEU 94 -8.902 8.018 3.461 731 2HB LEU 94 1HB LEU 94 -7.341 7.769 2.686 732 HG LEU 94 HG LEU 94 -8.247 5.657 1.674 733 1HD1 LEU 94 1HD1 LEU 94 -10.226 5.909 3.555 734 2HD1 LEU 94 2HD1 LEU 94 -10.354 4.908 2.111 735 3HD1 LEU 94 3HD1 LEU 94 -11.033 6.537 2.118 736 1HD2 LEU 94 1HD2 LEU 94 -8.345 8.114 0.698 737 2HD2 LEU 94 2HD2 LEU 94 -10.084 7.902 0.902 738 3HD2 LEU 94 3HD2 LEU 94 -9.178 6.799 -0.132 739 H VAL 95 HN VAL 95 -6.847 3.979 4.074 740 HA VAL 95 HA VAL 95 -4.044 4.965 3.702 741 HB VAL 95 HB VAL 95 -4.908 2.350 4.987 742 1HG1 VAL 95 1HG1 VAL 95 -2.668 2.537 3.701 743 2HG1 VAL 95 2HG1 VAL 95 -2.608 1.940 5.359 744 3HG1 VAL 95 3HG1 VAL 95 -2.166 3.609 5.008 745 1HG2 VAL 95 1HG2 VAL 95 -4.317 3.315 7.089 746 2HG2 VAL 95 2HG2 VAL 95 -5.330 4.518 6.298 747 3HG2 VAL 95 3HG2 VAL 95 -3.580 4.718 6.320 748 H ILE 96 HN ILE 96 -3.179 4.417 1.778 749 HA ILE 96 HA ILE 96 -4.704 2.639 -0.001 750 HB ILE 96 HB ILE 96 -2.122 4.090 -0.611 751 1HG1 ILE 96 2HG1 ILE 96 -3.857 5.638 0.327 752 2HG1 ILE 96 1HG1 ILE 96 -3.483 5.971 -1.359 753 1HG2 ILE 96 1HG2 ILE 96 -3.839 4.048 -2.821 754 2HG2 ILE 96 2HG2 ILE 96 -4.016 2.449 -2.100 755 3HG2 ILE 96 3HG2 ILE 96 -2.423 3.028 -2.581 756 1HD1 ILE 96 1HD1 ILE 96 -5.794 4.221 -0.497 757 2HD1 ILE 96 2HD1 ILE 96 -5.478 4.867 -2.108 758 3HD1 ILE 96 3HD1 ILE 96 -5.953 5.951 -0.800 759 H ALA 97 HN ALA 97 -3.836 0.781 -0.993 760 HA ALA 97 HA ALA 97 -1.326 -0.294 0.208 761 1HB ALA 97 1HB ALA 97 -2.669 -2.577 -0.183 762 2HB ALA 97 2HB ALA 97 -4.049 -1.513 0.086 763 3HB ALA 97 3HB ALA 97 -2.803 -1.671 1.324 764 H GLY 98 HN GLY 98 -2.862 0.697 -2.540 765 1HA GLY 98 2HA GLY 98 -1.806 0.612 -4.693 766 2HA GLY 98 1HA GLY 98 -1.001 -0.880 -4.219 767 H GLY 99 HN GLY 99 -3.356 -2.312 -6.494 768 1HA GLY 99 2HA GLY 99 -0.602 -1.911 -5.760 769 2HA GLY 99 1HA GLY 99 -1.190 -2.445 -7.329 770 H ALA 100 HN ALA 100 0.009 -1.119 -8.648 771 HA ALA 100 HA ALA 100 0.587 1.638 -8.157 772 1HB ALA 100 1HB ALA 100 0.905 -0.270 -10.359 773 2HB ALA 100 2HB ALA 100 1.969 1.039 -9.846 774 3HB ALA 100 3HB ALA 100 0.609 1.377 -10.916 775 H GLN 101 HN GLN 101 -2.113 0.040 -9.773 776 HA GLN 101 HA GLN 101 -3.243 2.309 -11.035 777 1HB GLN 101 2HB GLN 101 -4.084 -0.382 -10.380 778 2HB GLN 101 1HB GLN 101 -5.405 0.750 -10.096 779 1HG GLN 101 2HG GLN 101 -4.125 1.486 -12.550 780 2HG GLN 101 1HG GLN 101 -4.448 -0.246 -12.599 781 1HE2 GLN 101 1HE2 GLN 101 -6.432 -0.594 -13.600 782 2HE2 GLN 101 2HE2 GLN 101 -7.824 0.347 -13.361 783 H ILE 102 HN ILE 102 -3.688 1.108 -7.665 784 HA ILE 102 HA ILE 102 -5.571 3.215 -7.044 785 HB ILE 102 HB ILE 102 -3.927 1.533 -5.135 786 1HG1 ILE 102 2HG1 ILE 102 -5.109 0.079 -6.723 787 2HG1 ILE 102 1HG1 ILE 102 -5.888 0.001 -5.144 788 1HG2 ILE 102 1HG2 ILE 102 -6.648 2.830 -4.811 789 2HG2 ILE 102 2HG2 ILE 102 -5.143 3.520 -4.205 790 3HG2 ILE 102 3HG2 ILE 102 -5.726 1.983 -3.569 791 1HD1 ILE 102 1HD1 ILE 102 -6.894 1.139 -7.695 792 2HD1 ILE 102 2HD1 ILE 102 -7.279 2.052 -6.237 793 3HD1 ILE 102 3HD1 ILE 102 -7.780 0.368 -6.380 794 H PHE 103 HN PHE 103 -2.039 2.933 -6.895 795 HA PHE 103 HA PHE 103 -1.708 5.196 -5.117 796 1HB PHE 103 2HB PHE 103 0.166 3.825 -7.066 797 2HB PHE 103 1HB PHE 103 0.657 5.159 -6.026 798 HD1 PHE 103 HD1 PHE 103 1.226 1.912 -6.223 799 HD2 PHE 103 HD2 PHE 103 -0.754 4.590 -3.511 800 HE1 PHE 103 HE1 PHE 103 1.624 0.321 -4.362 801 HE2 PHE 103 HE2 PHE 103 -0.359 2.998 -1.651 802 HZ PHE 103 HZ PHE 103 0.830 0.864 -2.076 803 H THR 104 HN THR 104 -2.394 4.818 -8.484 804 HA THR 104 HA THR 104 -1.355 7.426 -9.290 805 HB THR 104 HB THR 104 -3.405 5.850 -10.834 806 HG1 THR 104 HG1 THR 104 -2.020 4.265 -10.573 807 1HG2 THR 104 1HG2 THR 104 -2.915 7.724 -12.075 808 2HG2 THR 104 2HG2 THR 104 -1.591 6.692 -12.615 809 3HG2 THR 104 3HG2 THR 104 -1.311 7.904 -11.364 810 H ALA 105 HN ALA 105 -4.663 6.093 -8.892 811 HA ALA 105 HA ALA 105 -5.948 8.624 -9.345 812 1HB ALA 105 1HB ALA 105 -7.951 7.545 -8.404 813 2HB ALA 105 2HB ALA 105 -6.961 6.207 -7.823 814 3HB ALA 105 3HB ALA 105 -7.141 6.484 -9.556 815 H PHE 106 HN PHE 106 -4.499 7.221 -6.481 816 HA PHE 106 HA PHE 106 -5.779 9.296 -4.776 817 1HB PHE 106 2HB PHE 106 -4.250 6.765 -4.196 818 2HB PHE 106 1HB PHE 106 -4.566 7.955 -2.935 819 HD1 PHE 106 HD1 PHE 106 -6.893 8.508 -2.280 820 HD2 PHE 106 HD2 PHE 106 -6.023 5.398 -5.106 821 HE1 PHE 106 HE1 PHE 106 -9.184 7.605 -1.996 822 HE2 PHE 106 HE2 PHE 106 -8.310 4.495 -4.823 823 HZ PHE 106 HZ PHE 106 -9.892 5.599 -3.267 824 H LYS 107 HN LYS 107 -2.746 8.673 -6.308 825 HA LYS 107 HA LYS 107 -0.969 9.869 -4.460 826 1HB LYS 107 2HB LYS 107 0.418 10.516 -6.494 827 2HB LYS 107 1HB LYS 107 0.031 8.808 -6.317 828 1HG LYS 107 2HG LYS 107 -1.622 8.894 -8.001 829 2HG LYS 107 1HG LYS 107 -1.695 10.656 -7.963 830 1HD LYS 107 2HD LYS 107 0.902 10.366 -8.577 831 2HD LYS 107 1HD LYS 107 0.295 8.863 -9.273 832 1HE LYS 107 2HE LYS 107 -1.219 10.019 -10.706 833 2HE LYS 107 1HE LYS 107 -0.993 11.539 -9.837 834 1HZ LYS 107 1HE LYS 107 1.524 10.884 -10.579 835 2HZ LYS 107 2HE LYS 107 0.513 11.971 -11.404 836 3HZ LYS 107 3HE LYS 107 0.614 10.352 -11.908 837 H ASP 108 HN ASP 108 -3.210 11.499 -6.714 838 HA ASP 108 HA ASP 108 -2.046 14.097 -6.472 839 1HB ASP 108 2HB ASP 108 -3.960 13.183 -8.030 840 2HB ASP 108 1HB ASP 108 -5.012 13.693 -6.710 841 H ASP 109 HN ASP 109 -4.386 12.339 -4.479 842 HA ASP 109 HA ASP 109 -4.335 14.610 -2.528 843 1HB ASP 109 2HB ASP 109 -6.394 12.456 -3.058 844 2HB ASP 109 1HB ASP 109 -6.436 13.481 -1.624 845 H VAL 110 HN VAL 110 -2.297 13.802 -1.591 846 HA VAL 110 HA VAL 110 -2.644 11.246 -0.074 847 HB VAL 110 HB VAL 110 -0.009 12.597 -0.679 848 1HG1 VAL 110 1HG1 VAL 110 0.929 10.772 0.289 849 2HG1 VAL 110 2HG1 VAL 110 -0.231 9.667 -0.446 850 3HG1 VAL 110 3HG1 VAL 110 -0.658 10.544 1.020 851 1HG2 VAL 110 1HG2 VAL 110 -0.124 10.445 -2.379 852 2HG2 VAL 110 2HG2 VAL 110 -0.421 12.112 -2.858 853 3HG2 VAL 110 3HG2 VAL 110 -1.777 11.052 -2.467 854 H ASP 111 HN ASP 111 -1.949 11.235 2.123 855 HA ASP 111 HA ASP 111 -1.542 13.939 3.333 856 1HB ASP 111 2HB ASP 111 -3.367 11.689 4.117 857 2HB ASP 111 1HB ASP 111 -2.688 12.714 5.381 858 H THR 112 HN THR 112 -0.839 10.475 3.452 859 HA THR 112 HA THR 112 1.685 11.101 4.889 860 HB THR 112 HB THR 112 -0.015 8.790 5.815 861 HG1 THR 112 HG1 THR 112 -0.032 11.475 6.717 862 1HG2 THR 112 1HG2 THR 112 1.364 8.996 7.819 863 2HG2 THR 112 2HG2 THR 112 2.134 10.443 7.169 864 3HG2 THR 112 3HG2 THR 112 2.401 8.879 6.397 865 H LEU 113 HN LEU 113 3.344 9.993 3.938 866 HA LEU 113 HA LEU 113 2.612 7.698 2.168 867 1HB LEU 113 2HB LEU 113 5.075 9.466 2.108 868 2HB LEU 113 1HB LEU 113 4.719 8.162 0.977 869 HG LEU 113 HG LEU 113 2.778 10.429 1.410 870 1HD1 LEU 113 1HD1 LEU 113 4.394 11.793 0.559 871 2HD1 LEU 113 2HD1 LEU 113 4.002 11.008 -0.971 872 3HD1 LEU 113 3HD1 LEU 113 5.369 10.439 -0.013 873 1HD2 LEU 113 1HD2 LEU 113 1.722 8.726 0.212 874 2HD2 LEU 113 2HD2 LEU 113 3.215 8.218 -0.577 875 3HD2 LEU 113 3HD2 LEU 113 2.401 9.694 -1.097 876 H LEU 114 HN LEU 114 3.399 5.702 2.646 877 HA LEU 114 HA LEU 114 5.589 5.504 4.671 878 1HB LEU 114 2HB LEU 114 3.223 3.623 4.383 879 2HB LEU 114 1HB LEU 114 4.482 3.550 5.617 880 HG LEU 114 HG LEU 114 2.962 6.107 5.328 881 1HD1 LEU 114 1HD1 LEU 114 1.748 3.518 5.963 882 2HD1 LEU 114 2HD1 LEU 114 0.976 5.065 5.619 883 3HD1 LEU 114 3HD1 LEU 114 1.537 4.704 7.251 884 1HD2 LEU 114 1HD2 LEU 114 4.183 4.510 7.595 885 2HD2 LEU 114 2HD2 LEU 114 3.252 5.987 7.846 886 3HD2 LEU 114 3HD2 LEU 114 4.758 6.038 6.930 887 H VAL 115 HN VAL 115 7.211 5.076 3.216 888 HA VAL 115 HA VAL 115 6.798 2.755 1.369 889 HB VAL 115 HB VAL 115 7.237 4.931 0.266 890 1HG1 VAL 115 1HG1 VAL 115 10.039 5.162 0.753 891 2HG1 VAL 115 2HG1 VAL 115 9.224 5.126 2.315 892 3HG1 VAL 115 3HG1 VAL 115 8.773 6.333 1.114 893 1HG2 VAL 115 1HG2 VAL 115 9.042 4.120 -1.196 894 2HG2 VAL 115 2HG2 VAL 115 7.935 2.808 -0.792 895 3HG2 VAL 115 3HG2 VAL 115 9.498 2.926 0.018 896 H THR 116 HN THR 116 8.252 1.072 1.364 897 HA THR 116 HA THR 116 10.346 1.129 3.493 898 HB THR 116 HB THR 116 9.306 -1.349 2.108 899 HG1 THR 116 HG1 THR 116 7.829 -1.542 3.763 900 1HG2 THR 116 1HG2 THR 116 11.470 -1.241 3.524 901 2HG2 THR 116 2HG2 THR 116 10.302 -2.509 3.903 902 3HG2 THR 116 3HG2 THR 116 10.387 -1.060 4.905 903 H ARG 117 HN ARG 117 12.386 1.425 2.690 904 HA ARG 117 HA ARG 117 12.880 0.797 -0.167 905 1HB ARG 117 2HB ARG 117 14.242 2.470 1.909 906 2HB ARG 117 1HB ARG 117 15.197 1.867 0.554 907 1HG ARG 117 2HG ARG 117 12.713 2.852 -0.477 908 2HG ARG 117 1HG ARG 117 13.393 4.083 0.587 909 1HD ARG 117 2HD ARG 117 15.620 3.265 -0.796 910 2HD ARG 117 1HD ARG 117 14.360 3.112 -2.021 911 HE ARG 117 HE ARG 117 14.419 5.650 -0.510 912 1HH1 ARG 117 1HH2 ARG 117 15.225 3.875 -3.392 913 2HH1 ARG 117 2HH2 ARG 117 15.391 5.299 -4.358 914 1HH2 ARG 117 1HH1 ARG 117 14.654 7.488 -1.781 915 2HH2 ARG 117 2HH1 ARG 117 15.073 7.331 -3.454 916 H LEU 118 HN LEU 118 13.536 -1.260 -0.573 917 HA LEU 118 HA LEU 118 14.963 -2.820 1.474 918 1HB LEU 118 2HB LEU 118 13.917 -3.399 -1.294 919 2HB LEU 118 1HB LEU 118 15.059 -4.501 -0.537 920 HG LEU 118 HG LEU 118 13.482 -4.528 1.475 921 1HD1 LEU 118 1HD1 LEU 118 12.179 -2.548 -0.081 922 2HD1 LEU 118 2HD1 LEU 118 11.635 -3.237 1.445 923 3HD1 LEU 118 3HD1 LEU 118 11.122 -3.956 -0.082 924 1HD2 LEU 118 1HD2 LEU 118 13.484 -6.489 0.171 925 2HD2 LEU 118 2HD2 LEU 118 12.819 -5.661 -1.239 926 3HD2 LEU 118 3HD2 LEU 118 11.788 -6.008 0.146 927 H ALA 119 HN ALA 119 17.152 -3.609 1.162 928 HA ALA 119 HA ALA 119 18.829 -1.687 -0.300 929 1HB ALA 119 1HB ALA 119 19.166 -3.267 1.993 930 2HB ALA 119 2HB ALA 119 20.376 -2.235 1.238 931 3HB ALA 119 3HB ALA 119 20.280 -3.942 0.806 932 H GLY 120 HN GLY 120 17.669 -4.969 -0.727 933 1HA GLY 120 2HA GLY 120 19.647 -5.708 -2.716 934 2HA GLY 120 1HA GLY 120 18.126 -6.550 -2.409 935 H SER 121 HN SER 121 18.900 -6.223 -5.026 936 HA SER 121 HA SER 121 17.048 -4.077 -5.990 937 1HB SER 121 2HB SER 121 18.466 -3.719 -7.881 938 2HB SER 121 1HB SER 121 19.534 -3.750 -6.480 939 HG SER 121 HG SER 121 19.839 -6.020 -6.969 940 H PHE 122 HN PHE 122 15.234 -5.042 -6.780 941 HA PHE 122 HA PHE 122 15.532 -7.699 -8.107 942 1HB PHE 122 2HB PHE 122 13.021 -6.477 -6.928 943 2HB PHE 122 1HB PHE 122 13.227 -8.131 -7.504 944 HD1 PHE 122 HD1 PHE 122 14.620 -9.743 -6.252 945 HD2 PHE 122 HD2 PHE 122 13.929 -5.762 -4.798 946 HE1 PHE 122 HE1 PHE 122 15.443 -10.418 -4.011 947 HE2 PHE 122 HE2 PHE 122 14.749 -6.436 -2.558 948 HZ PHE 122 HZ PHE 122 15.507 -8.764 -2.164 949 H GLU 123 HN GLU 123 14.006 -8.050 -9.951 950 HA GLU 123 HA GLU 123 13.548 -5.494 -11.440 951 1HB GLU 123 2HB GLU 123 13.828 -6.893 -13.520 952 2HB GLU 123 1HB GLU 123 15.291 -6.743 -12.547 953 1HG GLU 123 HG2 GLU 123 14.770 -8.934 -11.481 954 2HG GLU 123 HG1 GLU 123 13.374 -9.093 -12.548 955 H GLY 124 HN GLY 124 11.715 -5.585 -12.992 956 1HA GLY 124 2HA GLY 124 9.758 -7.667 -12.968 957 2HA GLY 124 1HA GLY 124 9.294 -6.431 -11.794 958 H ASP 125 HN ASP 125 7.434 -5.829 -13.168 959 HA ASP 125 HA ASP 125 8.273 -4.086 -15.425 960 1HB ASP 125 2HB ASP 125 7.098 -6.485 -15.902 961 2HB ASP 125 1HB ASP 125 5.663 -5.485 -15.676 962 H THR 126 HN THR 126 6.473 -4.613 -12.580 963 HA THR 126 HA THR 126 4.774 -2.208 -13.066 964 HB THR 126 HB THR 126 4.519 -4.077 -10.715 965 HG1 THR 126 HG1 THR 126 3.798 -5.548 -12.001 966 1HG2 THR 126 1HG2 THR 126 3.339 -1.734 -11.121 967 2HG2 THR 126 2HG2 THR 126 2.469 -3.082 -10.389 968 3HG2 THR 126 3HG2 THR 126 2.254 -2.720 -12.102 969 H LYS 127 HN LYS 127 5.674 -0.388 -12.276 970 HA LYS 127 HA LYS 127 7.345 -0.605 -9.804 971 1HB LYS 127 2HB LYS 127 7.563 1.357 -12.109 972 2HB LYS 127 1HB LYS 127 8.534 1.418 -10.639 973 1HG LYS 127 2HG LYS 127 9.989 0.000 -11.609 974 2HG LYS 127 1HG LYS 127 8.735 -1.239 -11.566 975 1HD LYS 127 2HD LYS 127 8.748 -1.221 -13.818 976 2HD LYS 127 1HD LYS 127 8.064 0.403 -13.750 977 1HE LYS 127 2HE LYS 127 10.377 1.330 -13.595 978 2HE LYS 127 1HE LYS 127 11.013 -0.304 -13.787 979 1HZ LYS 127 1HE LYS 127 9.281 1.124 -15.731 980 2HZ LYS 127 2HE LYS 127 9.876 -0.457 -15.915 981 3HZ LYS 127 3HE LYS 127 10.948 0.861 -15.896 982 H MET 128 HN MET 128 7.159 1.204 -8.315 983 HA MET 128 HA MET 128 4.467 2.072 -7.907 984 1HB MET 128 2HB MET 128 6.646 1.994 -6.319 985 2HB MET 128 1HB MET 128 6.663 3.705 -6.744 986 1HG MET 128 2HG MET 128 3.985 2.692 -6.076 987 2HG MET 128 1HG MET 128 5.127 2.594 -4.742 988 1HE MET 128 1HE MET 128 3.194 5.262 -3.606 989 2HE MET 128 2HE MET 128 2.812 3.777 -4.471 990 3HE MET 128 3HE MET 128 2.397 5.333 -5.183 991 H ILE 129 HN ILE 129 3.634 4.264 -8.031 992 HA ILE 129 HA ILE 129 4.377 5.602 -10.499 993 HB ILE 129 HB ILE 129 2.617 7.250 -9.761 994 1HG1 ILE 129 2HG1 ILE 129 1.557 5.647 -7.614 995 2HG1 ILE 129 1HG1 ILE 129 3.214 6.111 -7.227 996 1HG2 ILE 129 1HG2 ILE 129 1.517 5.684 -10.996 997 2HG2 ILE 129 2HG2 ILE 129 0.871 5.175 -9.437 998 3HG2 ILE 129 3HG2 ILE 129 2.259 4.339 -10.131 999 1HD1 ILE 129 1HD1 ILE 129 2.046 7.961 -6.441 1000 2HD1 ILE 129 2HD1 ILE 129 0.822 7.850 -7.705 1001 3HD1 ILE 129 3HD1 ILE 129 2.424 8.480 -8.084 1002 HA PRO 130 HA PRO 130 7.110 8.732 -8.959 1003 1HB PRO 130 2HB PRO 130 6.064 10.957 -10.342 1004 2HB PRO 130 1HB PRO 130 7.300 9.835 -10.925 1005 1HG PRO 130 2HG PRO 130 4.642 10.152 -11.888 1006 2HG PRO 130 1HG PRO 130 5.859 8.983 -12.421 1007 1HD PRO 130 2HD PRO 130 3.528 8.569 -10.703 1008 2HD PRO 130 1HD PRO 130 4.530 7.372 -11.538 1009 H LEU 131 HN LEU 131 6.682 9.124 -6.778 1010 HA LEU 131 HA LEU 131 4.362 10.784 -6.018 1011 1HB LEU 131 2HB LEU 131 6.421 9.168 -4.556 1012 2HB LEU 131 1HB LEU 131 5.589 10.458 -3.687 1013 HG LEU 131 HG LEU 131 4.093 8.377 -5.286 1014 1HD1 LEU 131 1HD1 LEU 131 3.987 8.036 -2.396 1015 2HD1 LEU 131 2HD1 LEU 131 5.633 7.854 -3.003 1016 3HD1 LEU 131 3HD1 LEU 131 4.339 6.846 -3.648 1017 1HD2 LEU 131 1HD2 LEU 131 2.479 9.914 -4.803 1018 2HD2 LEU 131 2HD2 LEU 131 3.442 10.664 -3.530 1019 3HD2 LEU 131 3HD2 LEU 131 2.523 9.196 -3.193 1020 H ASN 132 HN ASN 132 4.660 12.790 -4.790 1021 HA ASN 132 HA ASN 132 7.038 14.279 -5.743 1022 1HB ASN 132 2HB ASN 132 4.393 14.967 -5.646 1023 2HB ASN 132 1HB ASN 132 4.988 15.705 -4.159 1024 1HD2 ASN 132 1HD2 ASN 132 6.951 17.172 -4.416 1025 2HD2 ASN 132 2HD2 ASN 132 7.139 18.017 -5.876 1026 H TRP 133 HN TRP 133 8.222 12.830 -4.045 1027 HA TRP 133 HA TRP 133 7.966 13.119 -1.268 1028 1HB TRP 133 2HB TRP 133 10.622 13.063 -2.729 1029 2HB TRP 133 1HB TRP 133 10.299 12.508 -1.089 1030 HD1 TRP 133 HD1 TRP 133 9.842 11.540 -4.739 1031 HE1 TRP 133 HE1 TRP 133 9.126 9.069 -4.869 1032 HE3 TRP 133 HE3 TRP 133 9.073 10.579 0.219 1033 HZ2 TRP 133 HZ2 TRP 133 8.339 6.963 -3.109 1034 HZ3 TRP 133 HZ3 TRP 133 8.345 8.330 0.962 1035 HH2 TRP 133 HH2 TRP 133 7.977 6.522 -0.695 1036 H ASP 134 HN ASP 134 9.217 15.404 -3.606 1037 HA ASP 134 HA ASP 134 10.596 17.142 -1.791 1038 1HB ASP 134 2HB ASP 134 10.477 17.091 -4.438 1039 2HB ASP 134 1HB ASP 134 9.172 18.251 -4.181 1040 H ASP 135 HN ASP 135 7.196 16.733 -2.534 1041 HA ASP 135 HA ASP 135 6.466 19.252 -1.180 1042 1HB ASP 135 2HB ASP 135 5.256 17.569 -3.123 1043 2HB ASP 135 1HB ASP 135 4.215 17.530 -1.699 1044 H PHE 136 HN PHE 136 7.171 16.080 -0.274 1045 HA PHE 136 HA PHE 136 5.521 16.361 2.208 1046 1HB PHE 136 2HB PHE 136 6.535 13.869 0.813 1047 2HB PHE 136 1HB PHE 136 5.783 13.866 2.407 1048 HD1 PHE 136 HD1 PHE 136 5.181 15.039 -1.098 1049 HD2 PHE 136 HD2 PHE 136 3.457 13.678 2.590 1050 HE1 PHE 136 HE1 PHE 136 2.944 14.996 -2.163 1051 HE2 PHE 136 HE2 PHE 136 1.217 13.636 1.526 1052 HZ PHE 136 HZ PHE 136 0.961 14.295 -0.851 1053 H THR 137 HN THR 137 6.588 15.334 4.147 1054 HA THR 137 HA THR 137 9.566 15.498 4.016 1055 HB THR 137 HB THR 137 7.971 16.604 6.334 1056 HG1 THR 137 HG1 THR 137 8.559 18.660 5.303 1057 1HG2 THR 137 1HG2 THR 137 10.423 15.966 6.552 1058 2HG2 THR 137 2HG2 THR 137 10.042 17.644 6.939 1059 3HG2 THR 137 3HG2 THR 137 10.772 17.241 5.385 1060 H LYS 138 HN LYS 138 10.528 13.755 5.026 1061 HA LYS 138 HA LYS 138 8.858 11.673 6.142 1062 1HB LYS 138 2HB LYS 138 11.305 11.708 4.968 1063 2HB LYS 138 1HB LYS 138 11.780 11.635 6.666 1064 1HG LYS 138 2HG LYS 138 9.683 9.792 6.445 1065 2HG LYS 138 1HG LYS 138 10.635 9.554 4.983 1066 1HD LYS 138 2HD LYS 138 11.899 9.716 7.722 1067 2HD LYS 138 1HD LYS 138 11.357 8.191 7.020 1068 1HE LYS 138 2HE LYS 138 13.419 8.103 6.078 1069 2HE LYS 138 1HE LYS 138 12.795 9.304 4.948 1070 1HZ LYS 138 1HE LYS 138 14.430 10.592 5.701 1071 2HZ LYS 138 2HE LYS 138 14.729 9.598 7.046 1072 3HZ LYS 138 3HE LYS 138 13.510 10.779 7.114 1073 H VAL 139 HN VAL 139 8.109 11.645 8.199 1074 HA VAL 139 HA VAL 139 9.424 13.387 10.215 1075 HB VAL 139 HB VAL 139 7.342 12.926 11.551 1076 1HG1 VAL 139 1HG1 VAL 139 7.647 14.870 9.934 1077 2HG1 VAL 139 2HG1 VAL 139 5.975 14.426 10.277 1078 3HG1 VAL 139 3HG1 VAL 139 6.727 13.927 8.761 1079 1HG2 VAL 139 1HG2 VAL 139 6.151 11.799 9.032 1080 2HG2 VAL 139 2HG2 VAL 139 5.595 11.630 10.697 1081 3HG2 VAL 139 3HG2 VAL 139 7.002 10.724 10.141 1082 H SER 140 HN SER 140 8.947 10.021 9.430 1083 HA SER 140 HA SER 140 10.547 9.317 11.832 1084 1HB SER 140 2HB SER 140 7.873 8.101 11.101 1085 2HB SER 140 1HB SER 140 9.003 7.349 12.223 1086 HG SER 140 HG SER 140 7.375 9.554 12.527 1087 H SER 141 HN SER 141 12.001 7.697 11.429 1088 HA SER 141 HA SER 141 11.662 5.998 9.023 1089 1HB SER 141 2HB SER 141 14.383 6.714 9.040 1090 2HB SER 141 1HB SER 141 13.176 7.181 7.845 1091 HG SER 141 HG SER 141 13.565 9.117 8.576 1092 H ARG 142 HN ARG 142 12.260 3.908 9.531 1093 HA ARG 142 HA ARG 142 14.142 3.521 11.820 1094 1HB ARG 142 2HB ARG 142 11.554 3.032 12.160 1095 2HB ARG 142 1HB ARG 142 11.942 1.552 11.284 1096 1HG ARG 142 2HG ARG 142 12.883 0.658 13.121 1097 2HG ARG 142 1HG ARG 142 13.965 2.042 13.282 1098 1HD ARG 142 2HD ARG 142 12.536 3.166 14.729 1099 2HD ARG 142 1HD ARG 142 11.101 2.346 14.113 1100 HE ARG 142 HE ARG 142 12.922 0.514 15.443 1101 1HH1 ARG 142 1HH2 ARG 142 10.418 2.878 15.881 1102 2HH1 ARG 142 2HH2 ARG 142 9.895 2.214 17.391 1103 1HH2 ARG 142 1HH1 ARG 142 12.234 -0.338 17.407 1104 2HH2 ARG 142 2HH1 ARG 142 10.917 0.404 18.252 1105 H THR 143 HN THR 143 15.849 2.192 11.253 1106 HA THR 143 HA THR 143 15.613 0.733 8.662 1107 HB THR 143 HB THR 143 18.169 1.313 10.164 1108 HG1 THR 143 HG1 THR 143 17.606 3.318 9.794 1109 1HG2 THR 143 1HG2 THR 143 17.926 -0.348 8.174 1110 2HG2 THR 143 2HG2 THR 143 19.233 0.835 8.128 1111 3HG2 THR 143 3HG2 THR 143 17.765 1.106 7.190 1112 H VAL 144 HN VAL 144 15.576 -1.464 8.709 1113 HA VAL 144 HA VAL 144 16.572 -2.817 11.181 1114 HB VAL 144 HB VAL 144 14.117 -2.843 11.156 1115 1HG1 VAL 144 1HG1 VAL 144 13.690 -4.590 8.905 1116 2HG1 VAL 144 2HG1 VAL 144 14.495 -3.117 8.363 1117 3HG1 VAL 144 3HG1 VAL 144 12.966 -3.017 9.237 1118 1HG2 VAL 144 1HG2 VAL 144 14.112 -5.565 10.555 1119 2HG2 VAL 144 2HG2 VAL 144 14.494 -4.855 12.123 1120 3HG2 VAL 144 3HG2 VAL 144 15.790 -5.241 10.991 1121 H GLU 145 HN GLU 145 18.099 -4.321 10.769 1122 HA GLU 145 HA GLU 145 18.736 -4.988 7.970 1123 1HB GLU 145 2HB GLU 145 20.724 -6.128 9.015 1124 2HB GLU 145 1HB GLU 145 20.607 -4.409 9.390 1125 1HG GLU 145 HG2 GLU 145 19.155 -6.110 11.296 1126 2HG GLU 145 HG1 GLU 145 20.889 -6.429 11.257 1127 H ASP 146 HN ASP 146 19.183 -7.283 7.390 1128 HA ASP 146 HA ASP 146 17.621 -9.254 8.983 1129 1HB ASP 146 2HB ASP 146 16.566 -8.100 6.714 1130 2HB ASP 146 1HB ASP 146 17.318 -9.558 6.068 1131 H THR 147 HN THR 147 18.234 -11.489 8.499 1132 HA THR 147 HA THR 147 21.026 -11.901 8.197 1133 HB THR 147 HB THR 147 20.284 -14.334 7.737 1134 HG1 THR 147 HG1 THR 147 18.267 -14.439 7.196 1135 1HG2 THR 147 1HG2 THR 147 20.541 -12.856 10.045 1136 2HG2 THR 147 2HG2 THR 147 20.309 -14.604 9.988 1137 3HG2 THR 147 3HG2 THR 147 18.924 -13.537 10.219 1138 H ASN 148 HN ASN 148 18.668 -11.291 5.813 1139 HA ASN 148 HA ASN 148 20.439 -12.423 3.691 1140 1HB ASN 148 2HB ASN 148 17.898 -12.996 3.828 1141 2HB ASN 148 1HB ASN 148 17.677 -11.386 3.150 1142 1HD2 ASN 148 1HD2 ASN 148 18.260 -14.625 2.303 1143 2HD2 ASN 148 2HD2 ASN 148 18.792 -14.365 0.712 1144 HA PRO 149 HA PRO 149 22.110 -8.350 3.041 1145 1HB PRO 149 2HB PRO 149 22.524 -9.086 0.260 1146 2HB PRO 149 1HB PRO 149 23.722 -8.815 1.531 1147 1HG PRO 149 2HG PRO 149 22.814 -11.306 0.447 1148 2HG PRO 149 1HG PRO 149 24.048 -11.029 1.684 1149 1HD PRO 149 2HD PRO 149 21.531 -12.198 2.090 1150 2HD PRO 149 1HD PRO 149 22.635 -11.622 3.349 1151 H ALA 150 HN ALA 150 20.002 -9.738 0.491 1152 HA ALA 150 HA ALA 150 19.224 -7.067 -0.408 1153 1HB ALA 150 1HB ALA 150 17.462 -8.611 -1.680 1154 2HB ALA 150 2HB ALA 150 18.602 -9.873 -1.214 1155 3HB ALA 150 3HB ALA 150 19.145 -8.514 -2.199 1156 H LEU 151 HN LEU 151 17.858 -9.503 1.756 1157 HA LEU 151 HA LEU 151 15.199 -8.409 1.781 1158 1HB LEU 151 2HB LEU 151 16.687 -10.130 3.768 1159 2HB LEU 151 1HB LEU 151 14.987 -9.713 3.929 1160 HG LEU 151 HG LEU 151 16.176 -11.086 1.502 1161 1HD1 LEU 151 1HD1 LEU 151 15.469 -12.136 4.092 1162 2HD1 LEU 151 2HD1 LEU 151 16.085 -12.999 2.684 1163 3HD1 LEU 151 3HD1 LEU 151 14.350 -12.763 2.882 1164 1HD2 LEU 151 1HD2 LEU 151 14.031 -9.669 1.302 1165 2HD2 LEU 151 2HD2 LEU 151 13.273 -10.888 2.323 1166 3HD2 LEU 151 3HD2 LEU 151 13.931 -11.340 0.751 1167 H THR 152 HN THR 152 17.986 -6.924 2.827 1168 HA THR 152 HA THR 152 17.149 -5.850 5.366 1169 HB THR 152 HB THR 152 18.901 -4.433 3.344 1170 HG1 THR 152 HG1 THR 152 19.564 -6.486 5.180 1171 1HG2 THR 152 1HG2 THR 152 19.583 -3.135 5.088 1172 2HG2 THR 152 2HG2 THR 152 19.516 -4.472 6.236 1173 3HG2 THR 152 3HG2 THR 152 18.039 -3.617 5.790 1174 H HIS 153 HN HIS 153 15.951 -3.909 5.785 1175 HA HIS 153 HA HIS 153 15.036 -2.316 3.479 1176 1HB HIS 153 2HB HIS 153 12.608 -2.675 4.128 1177 2HB HIS 153 1HB HIS 153 13.395 -4.027 3.325 1178 HD1 HIS 153 HD1 HIS 153 14.617 -5.737 5.248 1179 HD2 HIS 153 HD2 HIS 153 11.264 -3.526 6.363 1180 HE1 HIS 153 HE1 HIS 153 13.647 -6.885 7.286 1181 H THR 154 HN THR 154 13.887 -0.396 4.106 1182 HA THR 154 HA THR 154 14.195 0.331 6.992 1183 HB THR 154 HB THR 154 14.540 2.317 4.747 1184 HG1 THR 154 HG1 THR 154 16.445 0.535 5.838 1185 1HG2 THR 154 1HG2 THR 154 14.576 3.591 6.627 1186 2HG2 THR 154 2HG2 THR 154 16.229 2.995 6.783 1187 3HG2 THR 154 3HG2 THR 154 14.922 2.212 7.668 1188 H TYR 155 HN TYR 155 12.493 1.685 7.805 1189 HA TYR 155 HA TYR 155 10.114 1.827 6.004 1190 1HB TYR 155 2HB TYR 155 10.261 2.040 9.027 1191 2HB TYR 155 1HB TYR 155 8.788 1.992 8.060 1192 HD1 TYR 155 HD1 TYR 155 8.604 -0.074 6.405 1193 HD2 TYR 155 HD2 TYR 155 11.087 0.049 9.907 1194 HE1 TYR 155 HE1 TYR 155 8.645 -2.553 6.463 1195 HE2 TYR 155 HE2 TYR 155 11.130 -2.430 9.964 1196 HH TYR 155 HH TYR 155 9.022 -4.338 8.435 1197 H GLU 156 HN GLU 156 9.619 3.834 5.222 1198 HA GLU 156 HA GLU 156 10.576 6.192 6.795 1199 1HB GLU 156 2HB GLU 156 10.157 6.031 3.797 1200 2HB GLU 156 1HB GLU 156 10.867 7.374 4.695 1201 1HG GLU 156 HG2 GLU 156 12.555 5.560 5.552 1202 2HG GLU 156 HG1 GLU 156 12.027 4.655 4.128 1203 H VAL 157 HN VAL 157 8.985 7.521 7.509 1204 HA VAL 157 HA VAL 157 6.275 7.272 6.257 1205 HB VAL 157 HB VAL 157 6.950 8.226 9.057 1206 1HG1 VAL 157 1HG1 VAL 157 4.477 7.937 7.441 1207 2HG1 VAL 157 2HG1 VAL 157 4.831 9.039 8.772 1208 3HG1 VAL 157 3HG1 VAL 157 4.376 7.369 9.107 1209 1HG2 VAL 157 1HG2 VAL 157 5.776 5.909 9.544 1210 2HG2 VAL 157 2HG2 VAL 157 7.503 5.967 9.192 1211 3HG2 VAL 157 3HG2 VAL 157 6.361 5.507 7.930 1212 H TRP 158 HN TRP 158 5.561 9.089 5.209 1213 HA TRP 158 HA TRP 158 6.953 11.661 5.837 1214 1HB TRP 158 2HB TRP 158 5.634 10.769 3.261 1215 2HB TRP 158 1HB TRP 158 6.369 12.346 3.528 1216 HD1 TRP 158 HD1 TRP 158 7.403 8.618 3.726 1217 HE1 TRP 158 HE1 TRP 158 9.867 8.437 2.987 1218 HE3 TRP 158 HE3 TRP 158 8.458 13.552 2.970 1219 HZ2 TRP 158 HZ2 TRP 158 12.005 10.163 2.183 1220 HZ3 TRP 158 HZ3 TRP 158 10.712 14.260 2.220 1221 HH2 TRP 158 HH2 TRP 158 12.486 12.572 1.825 1222 H GLN 159 HN GLN 159 5.616 13.614 5.543 1223 HA GLN 159 HA GLN 159 2.687 13.183 5.873 1224 1HB GLN 159 2HB GLN 159 4.491 14.820 7.684 1225 2HB GLN 159 1HB GLN 159 2.736 14.987 7.660 1226 1HG GLN 159 2HG GLN 159 3.348 12.199 7.846 1227 2HG GLN 159 1HG GLN 159 4.306 13.048 9.059 1228 1HE2 GLN 159 1HE2 GLN 159 3.218 13.385 10.997 1229 2HE2 GLN 159 2HE2 GLN 159 1.532 13.497 11.165 1230 H LYS 160 HN LYS 160 1.462 14.884 4.854 1231 HA LYS 160 HA LYS 160 3.010 16.574 3.041 1232 1HB LYS 160 2HB LYS 160 0.689 15.371 2.682 1233 2HB LYS 160 1HB LYS 160 0.047 16.826 3.444 1234 1HG LYS 160 2HG LYS 160 1.055 18.236 1.762 1235 2HG LYS 160 1HG LYS 160 1.932 16.869 1.073 1236 1HD LYS 160 2HD LYS 160 0.055 15.998 0.051 1237 2HD LYS 160 1HD LYS 160 -1.039 16.642 1.276 1238 1HE LYS 160 2HE LYS 160 -0.028 18.947 0.191 1239 2HE LYS 160 1HE LYS 160 -0.068 17.885 -1.217 1240 1HZ LYS 160 1HE LYS 160 -2.393 18.011 0.578 1241 2HZ LYS 160 2HE LYS 160 -2.330 17.623 -1.075 1242 3HZ LYS 160 3HE LYS 160 -2.160 19.237 -0.571 1243 H LYS 161 HN LYS 161 3.515 18.688 3.394 1244 HA LYS 161 HA LYS 161 3.061 19.918 5.950 1245 1HB LYS 161 2HB LYS 161 3.918 21.137 3.307 1246 2HB LYS 161 1HB LYS 161 4.000 21.956 4.868 1247 1HG LYS 161 2HG LYS 161 5.293 19.675 5.505 1248 2HG LYS 161 1HG LYS 161 5.693 19.762 3.789 1249 1HD LYS 161 2HD LYS 161 7.112 21.491 4.108 1250 2HD LYS 161 1HD LYS 161 5.947 22.357 5.110 1251 1HE LYS 161 2HE LYS 161 6.675 21.325 7.080 1252 2HE LYS 161 1HE LYS 161 7.376 19.955 6.219 1253 1HZ LYS 161 1HE LYS 161 8.496 22.581 6.755 1254 2HZ LYS 161 2HE LYS 161 8.810 21.950 5.209 1255 3HZ LYS 161 3HE LYS 161 9.272 21.082 6.594 1256 H ALA 162 HN ALA 162 1.611 21.575 6.525 1257 HA ALA 162 HA ALA 162 -0.545 22.163 4.536 1258 1HB ALA 162 1HB ALA 162 -0.801 20.709 6.949 1259 2HB ALA 162 2HB ALA 162 -2.101 21.295 5.912 1260 3HB ALA 162 3HB ALA 162 -1.524 22.289 7.250 1261 AH51 NDP 168 AH51 NDP 168 -5.476 -1.831 -9.748 1262 AH52 NDP 168 AH52 NDP 168 -5.686 -3.073 -8.502 1263 AH4* NDP 168 AH4* NDP 168 -7.572 -4.037 -9.845 1264 AH3* NDP 168 AH3* NDP 168 -7.071 -1.681 -11.680 1265 AHO3 NDP 168 AHO3 NDP 168 -6.415 -3.790 -12.357 1266 AH2* NDP 168 AH2* NDP 168 -9.450 -1.597 -12.009 1267 AH1* NDP 168 AH1* NDP 168 -10.108 -1.920 -9.338 1268 AH8 NDP 168 AH8 NDP 168 -6.979 0.185 -9.856 1269 AH61 NDP 168 AH61 NDP 168 -10.875 5.013 -9.892 1270 AH62 NDP 168 AH62 NDP 168 -9.203 4.527 -9.747 1271 AH2 NDP 168 AH2 NDP 168 -13.323 1.257 -9.878 1272 NH51 NDP 168 NH51 NDP 168 -1.283 -4.888 -9.555 1273 NH52 NDP 168 NH52 NDP 168 -1.198 -3.950 -8.060 1274 NH4* NDP 168 NH4* NDP 168 1.139 -5.325 -9.481 1275 NH3* NDP 168 NH3* NDP 168 -0.334 -6.058 -6.940 1276 NHO3 NDP 168 NHO3 NDP 168 -0.585 -7.124 -9.133 1277 NH2* NDP 168 NH2* NDP 168 1.758 -6.909 -6.122 1278 NHO2 NDP 168 NHO2 NDP 168 2.766 -7.977 -7.685 1279 NH1* NDP 168 NH1* NDP 168 3.285 -4.774 -7.033 1280 NH2 NDP 168 NH2 NDP 168 3.748 -3.505 -5.067 1281 NH71 NDP 168 NH71 NDP 168 5.094 -2.800 -4.324 1282 NH72 NDP 168 NH72 NDP 168 5.571 -2.149 -2.774 1283 NH41 NDP 168 NH41 NDP 168 0.586 -2.475 -2.892 1284 NH42 NDP 168 NH42 NDP 168 1.131 -3.993 -2.101 1285 NH5 NDP 168 NH5 NDP 168 -0.897 -4.368 -3.496 1286 NH6 NDP 168 NH6 NDP 168 -0.151 -5.361 -5.718 1287 H1 TRR 170 H1 TRR 170 4.857 -5.227 1.811 1288 1H2 TRR 170 1H2 TRR 170 4.837 -1.761 2.622 1289 2H2 TRR 170 2H2 TRR 170 5.738 -3.210 2.734 1290 1H4 TRR 170 1H4 TRR 170 -0.072 -3.203 -0.192 1291 2H4 TRR 170 2H4 TRR 170 0.555 -1.761 0.464 1292 H6 TRR 170 H6 TRR 170 3.165 -6.507 0.657 1293 1H7 TRR 170 1H7 TRR 170 0.861 -5.249 -1.347 1294 2H7 TRR 170 2H7 TRR 170 -0.149 -5.168 0.096 1295 H12 TRR 170 H12 TRR 170 1.396 -7.315 -2.210 1296 H16 TRR 170 H16 TRR 170 0.404 -6.956 1.973 1297 1H17 TRR 170 1H17 TRR 170 2.165 -10.098 -4.186 1298 2H17 TRR 170 2H17 TRR 170 2.612 -8.605 -3.372 1299 3H17 TRR 170 3H17 TRR 170 0.938 -8.890 -3.829 1300 1H18 TRR 170 1H18 TRR 170 2.457 -12.655 -0.170 1301 2H18 TRR 170 2H18 TRR 170 3.168 -11.055 -0.020 1302 3H18 TRR 170 3H18 TRR 170 2.654 -11.926 1.417 1303 1H19 TRR 170 1H19 TRR 170 -0.456 -7.963 3.327 1304 2H19 TRR 170 2H19 TRR 170 1.088 -8.378 4.051 1305 3H19 TRR 170 3H19 TRR 170 -0.329 -9.371 4.365 Start of MODEL 16 1 1H THR 1 1H THR 1 -6.587 10.787 2.960 2 2H THR 1 2H THR 1 -4.998 11.338 2.717 3 3H THR 1 3H THR 1 -5.407 10.518 4.148 4 HA THR 1 HA THR 1 -5.785 8.487 2.954 5 HB THR 1 HB THR 1 -4.839 9.921 0.471 6 HG1 THR 1 HG1 THR 1 -6.924 10.250 -0.073 7 1HG2 THR 1 1HG2 THR 1 -4.714 7.754 -0.167 8 2HG2 THR 1 2HG2 THR 1 -6.476 7.804 -0.210 9 3HG2 THR 1 3HG2 THR 1 -5.647 7.203 1.225 10 H ALA 2 HN ALA 2 -4.032 7.122 3.148 11 HA ALA 2 HA ALA 2 -1.329 8.397 2.976 12 1HB ALA 2 1HB ALA 2 -0.607 6.896 4.762 13 2HB ALA 2 2HB ALA 2 -2.191 6.122 4.786 14 3HB ALA 2 3HB ALA 2 -2.022 7.801 5.296 15 H PHE 3 HN PHE 3 0.346 7.124 2.074 16 HA PHE 3 HA PHE 3 -0.612 4.855 0.383 17 1HB PHE 3 2HB PHE 3 1.682 6.798 0.202 18 2HB PHE 3 1HB PHE 3 1.774 5.255 -0.637 19 HD1 PHE 3 HD1 PHE 3 -1.342 7.232 -0.090 20 HD2 PHE 3 HD2 PHE 3 1.680 6.017 -2.875 21 HE1 PHE 3 HE1 PHE 3 -2.684 8.161 -1.953 22 HE2 PHE 3 HE2 PHE 3 0.341 6.942 -4.739 23 HZ PHE 3 HZ PHE 3 -1.840 8.014 -4.278 24 H LEU 4 HN LEU 4 0.139 2.773 0.867 25 HA LEU 4 HA LEU 4 2.489 2.596 2.704 26 1HB LEU 4 2HB LEU 4 0.573 2.200 4.098 27 2HB LEU 4 1HB LEU 4 -0.168 1.155 2.890 28 HG LEU 4 HG LEU 4 1.635 -0.494 3.186 29 1HD1 LEU 4 1HD1 LEU 4 3.178 -0.112 5.192 30 2HD1 LEU 4 2HD1 LEU 4 2.671 1.575 5.134 31 3HD1 LEU 4 3HD1 LEU 4 3.515 0.862 3.761 32 1HD2 LEU 4 1HD2 LEU 4 0.669 0.261 5.942 33 2HD2 LEU 4 2HD2 LEU 4 0.876 -1.349 5.254 34 3HD2 LEU 4 3HD2 LEU 4 -0.455 -0.324 4.716 35 H TRP 5 HN TRP 5 3.892 1.953 1.001 36 HA TRP 5 HA TRP 5 3.325 -0.779 -0.031 37 1HB TRP 5 2HB TRP 5 3.887 -0.229 -2.269 38 2HB TRP 5 1HB TRP 5 2.791 1.044 -1.750 39 HD1 TRP 5 HD1 TRP 5 6.241 0.439 -3.038 40 HE1 TRP 5 HE1 TRP 5 7.521 2.670 -3.209 41 HE3 TRP 5 HE3 TRP 5 3.053 3.487 -0.459 42 HZ2 TRP 5 HZ2 TRP 5 7.229 5.388 -2.369 43 HZ3 TRP 5 HZ3 TRP 5 3.580 5.891 -0.164 44 HH2 TRP 5 HH2 TRP 5 5.660 6.843 -1.115 45 H ALA 6 HN ALA 6 5.439 -1.609 -1.165 46 HA ALA 6 HA ALA 6 7.819 -0.711 0.401 47 1HB ALA 6 1HB ALA 6 6.744 -3.506 0.005 48 2HB ALA 6 2HB ALA 6 7.220 -2.718 1.510 49 3HB ALA 6 3HB ALA 6 8.450 -3.226 0.353 50 H GLN 7 HN GLN 7 9.724 -0.650 -0.821 51 HA GLN 7 HA GLN 7 9.647 -1.841 -3.535 52 1HB GLN 7 2HB GLN 7 10.505 0.331 -4.489 53 2HB GLN 7 1HB GLN 7 8.829 0.387 -3.945 54 1HG GLN 7 2HG GLN 7 9.295 1.805 -2.219 55 2HG GLN 7 1HG GLN 7 10.861 1.063 -1.895 56 1HE2 GLN 7 1HE2 GLN 7 12.716 1.809 -3.167 57 2HE2 GLN 7 2HE2 GLN 7 12.649 3.256 -4.052 58 H ASP 8 HN ASP 8 11.739 -2.044 -4.514 59 HA ASP 8 HA ASP 8 13.866 -2.443 -2.536 60 1HB ASP 8 2HB ASP 8 15.129 -3.356 -4.483 61 2HB ASP 8 1HB ASP 8 13.546 -4.108 -4.295 62 H ARG 9 HN ARG 9 16.161 -1.821 -3.955 63 HA ARG 9 HA ARG 9 16.476 0.950 -3.423 64 1HB ARG 9 2HB ARG 9 18.613 0.726 -4.740 65 2HB ARG 9 1HB ARG 9 18.420 -0.467 -3.459 66 1HG ARG 9 2HG ARG 9 18.865 -2.003 -5.062 67 2HG ARG 9 1HG ARG 9 17.214 -1.715 -5.606 68 1HD ARG 9 2HD ARG 9 17.985 -0.874 -7.542 69 2HD ARG 9 1HD ARG 9 18.883 0.362 -6.665 70 HE ARG 9 HE ARG 9 19.977 -2.148 -7.727 71 1HH1 ARG 9 1HH1 ARG 9 20.352 0.517 -5.527 72 2HH1 ARG 9 2HH1 ARG 9 22.066 0.325 -5.408 73 1HH2 ARG 9 1HH2 ARG 9 22.204 -2.382 -7.559 74 2HH2 ARG 9 2HH2 ARG 9 23.109 -1.304 -6.549 75 H ASP 10 HN ASP 10 15.902 -0.718 -6.544 76 HA ASP 10 HA ASP 10 16.022 1.709 -8.101 77 1HB ASP 10 2HB ASP 10 15.361 -1.121 -8.550 78 2HB ASP 10 1HB ASP 10 14.422 -0.013 -9.552 79 H GLY 11 HN GLY 11 13.474 0.034 -6.373 80 1HA GLY 11 2HA GLY 11 11.599 1.410 -5.513 81 2HA GLY 11 1HA GLY 11 11.664 2.329 -7.012 82 H LEU 12 HN LEU 12 11.737 -1.213 -6.679 83 HA LEU 12 HA LEU 12 9.514 -1.415 -8.603 84 1HB LEU 12 2HB LEU 12 11.612 -2.948 -8.451 85 2HB LEU 12 1HB LEU 12 10.763 -3.721 -7.113 86 HG LEU 12 HG LEU 12 8.767 -3.932 -8.707 87 1HD1 LEU 12 1HD1 LEU 12 8.968 -2.956 -10.718 88 2HD1 LEU 12 2HD1 LEU 12 10.266 -4.083 -11.106 89 3HD1 LEU 12 3HD1 LEU 12 10.642 -2.522 -10.378 90 1HD2 LEU 12 1HD2 LEU 12 9.449 -6.065 -9.119 91 2HD2 LEU 12 2HD2 LEU 12 10.844 -5.613 -8.138 92 3HD2 LEU 12 3HD2 LEU 12 10.941 -5.540 -9.897 93 H ILE 13 HN ILE 13 7.559 -2.812 -8.016 94 HA ILE 13 HA ILE 13 7.023 -2.779 -5.087 95 HB ILE 13 HB ILE 13 4.624 -2.147 -5.698 96 1HG1 ILE 13 2HG1 ILE 13 5.499 -0.674 -8.061 97 2HG1 ILE 13 1HG1 ILE 13 5.619 -2.417 -8.295 98 1HG2 ILE 13 1HG2 ILE 13 6.745 -0.654 -4.929 99 2HG2 ILE 13 2HG2 ILE 13 5.128 0.011 -5.162 100 3HG2 ILE 13 3HG2 ILE 13 6.335 0.157 -6.441 101 1HD1 ILE 13 1HD1 ILE 13 3.397 -2.454 -8.660 102 2HD1 ILE 13 2HD1 ILE 13 3.250 -0.754 -8.215 103 3HD1 ILE 13 3HD1 ILE 13 3.163 -2.002 -6.972 104 H GLY 14 HN GLY 14 6.895 -4.483 -8.072 105 1HA GLY 14 2HA GLY 14 6.491 -6.990 -7.286 106 2HA GLY 14 1HA GLY 14 4.861 -6.382 -7.020 107 H LYS 15 HN LYS 15 5.817 -8.429 -8.930 108 HA LYS 15 HA LYS 15 4.791 -7.124 -11.416 109 1HB LYS 15 2HB LYS 15 7.317 -7.661 -11.388 110 2HB LYS 15 1HB LYS 15 6.825 -9.354 -11.462 111 1HG LYS 15 2HG LYS 15 5.257 -8.238 -13.422 112 2HG LYS 15 1HG LYS 15 6.730 -7.278 -13.554 113 1HD LYS 15 2HD LYS 15 8.068 -9.346 -13.716 114 2HD LYS 15 1HD LYS 15 6.594 -10.307 -13.590 115 1HE LYS 15 2HE LYS 15 6.121 -10.017 -15.776 116 2HE LYS 15 1HE LYS 15 6.359 -8.274 -15.661 117 1HZ LYS 15 1HE LYS 15 7.958 -9.224 -17.165 118 2HZ LYS 15 2HE LYS 15 8.485 -10.322 -15.981 119 3HZ LYS 15 3HE LYS 15 8.760 -8.657 -15.782 120 H ASP 16 HN ASP 16 3.205 -8.258 -12.469 121 HA ASP 16 HA ASP 16 1.515 -9.833 -12.752 122 1HB ASP 16 2HB ASP 16 4.043 -11.408 -12.457 123 2HB ASP 16 1HB ASP 16 2.507 -12.266 -12.578 124 H GLY 17 HN GLY 17 0.950 -8.868 -10.337 125 1HA GLY 17 2HA GLY 17 -0.251 -9.465 -8.433 126 2HA GLY 17 1HA GLY 17 -0.138 -11.140 -8.953 127 H HIS 18 HN HIS 18 1.965 -12.254 -8.468 128 HA HIS 18 HA HIS 18 2.607 -12.120 -5.737 129 1HB HIS 18 2HB HIS 18 4.620 -13.473 -6.331 130 2HB HIS 18 1HB HIS 18 3.138 -14.081 -7.067 131 HD1 HIS 18 HD1 HIS 18 6.372 -12.370 -7.891 132 HD2 HIS 18 HD2 HIS 18 2.992 -13.757 -9.897 133 HE1 HIS 18 HE1 HIS 18 6.932 -12.313 -10.360 134 H LEU 19 HN LEU 19 5.202 -11.930 -5.211 135 HA LEU 19 HA LEU 19 5.950 -9.149 -6.024 136 1HB LEU 19 2HB LEU 19 6.036 -10.569 -3.385 137 2HB LEU 19 1HB LEU 19 7.279 -9.367 -3.732 138 HG LEU 19 HG LEU 19 4.408 -8.688 -4.263 139 1HD1 LEU 19 1HD1 LEU 19 5.733 -8.337 -1.562 140 2HD1 LEU 19 2HD1 LEU 19 4.622 -9.659 -1.922 141 3HD1 LEU 19 3HD1 LEU 19 4.058 -7.989 -1.992 142 1HD2 LEU 19 1HD2 LEU 19 6.977 -7.248 -3.638 143 2HD2 LEU 19 2HD2 LEU 19 5.427 -6.448 -3.380 144 3HD2 LEU 19 3HD2 LEU 19 5.874 -7.005 -4.993 145 HA PRO 20 HA PRO 20 9.857 -10.781 -7.341 146 1HB PRO 20 2HB PRO 20 11.422 -8.534 -6.650 147 2HB PRO 20 1HB PRO 20 10.560 -8.794 -8.174 148 1HG PRO 20 2HG PRO 20 9.996 -6.832 -6.233 149 2HG PRO 20 1HG PRO 20 9.003 -7.255 -7.633 150 1HD PRO 20 2HD PRO 20 8.673 -8.030 -4.787 151 2HD PRO 20 1HD PRO 20 7.453 -7.876 -6.066 152 H TRP 21 HN TRP 21 9.940 -9.263 -4.114 153 HA TRP 21 HA TRP 21 12.150 -11.141 -3.392 154 1HB TRP 21 2HB TRP 21 12.652 -9.480 -1.582 155 2HB TRP 21 1HB TRP 21 12.819 -8.805 -3.203 156 HD1 TRP 21 HD1 TRP 21 10.305 -8.914 -0.289 157 HE1 TRP 21 HE1 TRP 21 8.801 -6.827 -0.431 158 HE3 TRP 21 HE3 TRP 21 12.009 -6.892 -4.661 159 HZ2 TRP 21 HZ2 TRP 21 8.378 -4.594 -2.161 160 HZ3 TRP 21 HZ3 TRP 21 11.035 -4.783 -5.528 161 HH2 TRP 21 HH2 TRP 21 9.226 -3.634 -4.285 162 H HIS 22 HN HIS 22 11.803 -12.540 -1.703 163 HA HIS 22 HA HIS 22 9.098 -12.558 -0.492 164 1HB HIS 22 2HB HIS 22 10.474 -14.623 -1.426 165 2HB HIS 22 1HB HIS 22 11.216 -14.578 0.173 166 HD1 HIS 22 HD1 HIS 22 7.617 -14.208 -1.073 167 HD2 HIS 22 HD2 HIS 22 9.797 -16.248 1.836 168 HE1 HIS 22 HE1 HIS 22 5.943 -15.573 0.250 169 H LEU 23 HN LEU 23 9.097 -10.974 1.115 170 HA LEU 23 HA LEU 23 11.131 -11.322 3.279 171 1HB LEU 23 2HB LEU 23 11.585 -9.274 1.933 172 2HB LEU 23 1HB LEU 23 9.965 -8.691 2.316 173 HG LEU 23 HG LEU 23 10.590 -8.913 4.771 174 1HD1 LEU 23 1HD1 LEU 23 12.691 -10.355 3.897 175 2HD1 LEU 23 2HD1 LEU 23 12.713 -9.474 5.425 176 3HD1 LEU 23 3HD1 LEU 23 13.451 -8.767 3.987 177 1HD2 LEU 23 1HD2 LEU 23 12.569 -6.991 3.733 178 2HD2 LEU 23 2HD2 LEU 23 11.146 -6.704 4.734 179 3HD2 LEU 23 3HD2 LEU 23 10.979 -6.844 2.984 180 HA PRO 24 HA PRO 24 7.161 -11.955 5.398 181 1HB PRO 24 2HB PRO 24 8.584 -12.889 7.681 182 2HB PRO 24 1HB PRO 24 7.720 -13.858 6.480 183 1HG PRO 24 2HG PRO 24 10.530 -13.682 6.888 184 2HG PRO 24 1HG PRO 24 9.665 -14.606 5.654 185 1HD PRO 24 2HD PRO 24 11.181 -12.155 5.350 186 2HD PRO 24 1HD PRO 24 10.477 -13.189 4.097 187 H ASP 25 HN ASP 25 10.093 -10.418 6.650 188 HA ASP 25 HA ASP 25 8.876 -9.133 8.910 189 1HB ASP 25 2HB ASP 25 11.416 -9.389 8.156 190 2HB ASP 25 1HB ASP 25 11.115 -7.810 7.430 191 H ASP 26 HN ASP 26 8.980 -8.369 5.490 192 HA ASP 26 HA ASP 26 8.087 -5.618 5.821 193 1HB ASP 26 2HB ASP 26 9.297 -6.157 3.808 194 2HB ASP 26 1HB ASP 26 8.197 -7.480 3.430 195 H LEU 27 HN LEU 27 6.535 -8.752 5.122 196 HA LEU 27 HA LEU 27 3.912 -7.801 4.613 197 1HB LEU 27 2HB LEU 27 4.731 -10.335 6.073 198 2HB LEU 27 1HB LEU 27 3.158 -10.034 5.335 199 HG LEU 27 HG LEU 27 5.674 -9.804 3.698 200 1HD1 LEU 27 1HD1 LEU 27 5.863 -12.071 3.391 201 2HD1 LEU 27 2HD1 LEU 27 4.140 -12.354 3.638 202 3HD1 LEU 27 3HD1 LEU 27 5.201 -12.105 5.025 203 1HD2 LEU 27 1HD2 LEU 27 2.854 -10.658 2.979 204 2HD2 LEU 27 2HD2 LEU 27 4.154 -10.232 1.866 205 3HD2 LEU 27 3HD2 LEU 27 3.422 -8.991 2.882 206 H HIS 28 HN HIS 28 5.431 -8.747 7.711 207 HA HIS 28 HA HIS 28 3.241 -8.187 9.413 208 1HB HIS 28 2HB HIS 28 6.210 -7.818 9.931 209 2HB HIS 28 1HB HIS 28 4.965 -7.822 11.181 210 HD1 HIS 28 HD1 HIS 28 3.244 -10.141 10.599 211 HD2 HIS 28 HD2 HIS 28 7.357 -10.322 9.942 212 HE1 HIS 28 HE1 HIS 28 3.861 -12.598 10.590 213 H TYR 29 HN TYR 29 5.686 -6.040 8.019 214 HA TYR 29 HA TYR 29 4.953 -3.678 9.478 215 1HB TYR 29 2HB TYR 29 7.034 -4.067 8.016 216 2HB TYR 29 1HB TYR 29 5.993 -3.702 6.639 217 HD1 TYR 29 HD1 TYR 29 7.051 -2.346 9.965 218 HD2 TYR 29 HD2 TYR 29 5.599 -1.475 6.017 219 HE1 TYR 29 HE1 TYR 29 7.320 0.080 10.402 220 HE2 TYR 29 HE2 TYR 29 5.868 0.951 6.454 221 HH TYR 29 HH TYR 29 6.959 2.458 7.868 222 H PHE 30 HN PHE 30 3.759 -5.144 6.496 223 HA PHE 30 HA PHE 30 2.061 -2.974 5.683 224 1HB PHE 30 2HB PHE 30 2.701 -4.864 4.195 225 2HB PHE 30 1HB PHE 30 1.713 -5.946 5.175 226 HD1 PHE 30 HD1 PHE 30 1.262 -2.508 3.713 227 HD2 PHE 30 HD2 PHE 30 -0.315 -6.473 4.185 228 HE1 PHE 30 HE1 PHE 30 -0.747 -1.864 2.408 229 HE2 PHE 30 HE2 PHE 30 -2.324 -5.833 2.878 230 HZ PHE 30 HZ PHE 30 -2.540 -3.527 1.990 231 H ARG 31 HN ARG 31 1.409 -5.919 7.595 232 HA ARG 31 HA ARG 31 -1.361 -5.350 8.065 233 1HB ARG 31 2HB ARG 31 -0.073 -7.554 8.437 234 2HB ARG 31 1HB ARG 31 0.435 -6.853 9.973 235 1HG ARG 31 2HG ARG 31 -1.958 -6.497 10.568 236 2HG ARG 31 1HG ARG 31 -2.424 -7.299 9.066 237 1HD ARG 31 2HD ARG 31 -2.482 -9.110 10.509 238 2HD ARG 31 1HD ARG 31 -0.801 -9.194 9.982 239 HE ARG 31 HE ARG 31 -1.304 -7.578 12.396 240 1HH1 ARG 31 1HH2 ARG 31 -0.369 -10.629 11.011 241 2HH1 ARG 31 2HH2 ARG 31 0.463 -11.148 12.435 242 1HH2 ARG 31 1HH1 ARG 31 -0.228 -8.279 14.240 243 2HH2 ARG 31 2HH1 ARG 31 0.542 -9.830 14.252 244 H ALA 32 HN ALA 32 1.391 -5.057 10.328 245 HA ALA 32 HA ALA 32 0.111 -3.689 12.392 246 1HB ALA 32 1HB ALA 32 2.755 -4.334 11.734 247 2HB ALA 32 2HB ALA 32 2.191 -3.627 13.248 248 3HB ALA 32 3HB ALA 32 2.761 -2.583 11.946 249 H GLN 33 HN GLN 33 1.493 -2.269 9.418 250 HA GLN 33 HA GLN 33 1.015 0.455 10.236 251 1HB GLN 33 2HB GLN 33 1.544 -0.856 7.568 252 2HB GLN 33 1HB GLN 33 1.262 0.879 7.716 253 1HG GLN 33 2HG GLN 33 3.212 -0.205 9.648 254 2HG GLN 33 1HG GLN 33 3.719 -0.310 7.962 255 1HE2 GLN 33 1HE2 GLN 33 1.893 2.171 9.861 256 2HE2 GLN 33 2HE2 GLN 33 2.860 3.471 9.358 257 H THR 34 HN THR 34 -1.074 -2.003 9.007 258 HA THR 34 HA THR 34 -3.132 0.093 8.418 259 HB THR 34 HB THR 34 -4.231 -1.656 6.993 260 HG1 THR 34 HG1 THR 34 -2.400 -3.187 8.169 261 1HG2 THR 34 1HG2 THR 34 -2.108 -1.672 5.341 262 2HG2 THR 34 2HG2 THR 34 -1.563 -0.449 6.490 263 3HG2 THR 34 3HG2 THR 34 -3.082 -0.228 5.622 264 H VAL 35 HN VAL 35 -2.521 -1.122 11.065 265 HA VAL 35 HA VAL 35 -4.729 -2.970 11.604 266 HB VAL 35 HB VAL 35 -4.056 -2.621 14.005 267 1HG1 VAL 35 1HG1 VAL 35 -2.928 -4.454 13.234 268 2HG1 VAL 35 2HG1 VAL 35 -1.534 -3.388 13.406 269 3HG1 VAL 35 3HG1 VAL 35 -2.292 -3.600 11.829 270 1HG2 VAL 35 1HG2 VAL 35 -2.770 -0.334 12.846 271 2HG2 VAL 35 2HG2 VAL 35 -1.529 -1.376 13.543 272 3HG2 VAL 35 3HG2 VAL 35 -2.857 -0.795 14.545 273 H GLY 36 HN GLY 36 -6.790 -2.214 11.657 274 1HA GLY 36 2HA GLY 36 -8.608 -0.933 12.443 275 2HA GLY 36 1HA GLY 36 -7.472 0.039 13.375 276 H LYS 37 HN LYS 37 -6.593 -0.245 10.072 277 HA LYS 37 HA LYS 37 -7.749 2.469 9.562 278 1HB LYS 37 2HB LYS 37 -5.104 1.236 8.815 279 2HB LYS 37 1HB LYS 37 -5.759 2.595 7.902 280 1HG LYS 37 2HG LYS 37 -5.820 3.988 9.863 281 2HG LYS 37 1HG LYS 37 -5.440 2.622 10.912 282 1HD LYS 37 2HD LYS 37 -3.229 2.894 10.578 283 2HD LYS 37 1HD LYS 37 -3.441 2.886 8.827 284 1HE LYS 37 2HE LYS 37 -3.512 5.173 8.687 285 2HE LYS 37 1HE LYS 37 -4.315 5.347 10.248 286 1HZ LYS 37 1HE LYS 37 -1.967 6.136 10.183 287 2HZ LYS 37 2HE LYS 37 -1.481 4.524 9.949 288 3HZ LYS 37 3HE LYS 37 -2.283 4.974 11.378 289 H ILE 38 HN ILE 38 -8.259 2.913 7.247 290 HA ILE 38 HA ILE 38 -9.616 0.625 6.034 291 HB ILE 38 HB ILE 38 -9.211 3.394 4.868 292 1HG1 ILE 38 2HG1 ILE 38 -11.480 2.370 6.608 293 2HG1 ILE 38 1HG1 ILE 38 -10.222 3.482 7.149 294 1HG2 ILE 38 1HG2 ILE 38 -10.051 1.978 3.185 295 2HG2 ILE 38 2HG2 ILE 38 -11.507 2.704 3.867 296 3HG2 ILE 38 3HG2 ILE 38 -11.040 1.067 4.325 297 1HD1 ILE 38 1HD1 ILE 38 -10.908 5.018 5.252 298 2HD1 ILE 38 2HD1 ILE 38 -12.115 4.829 6.524 299 3HD1 ILE 38 3HD1 ILE 38 -12.297 3.963 4.998 300 H MET 39 HN MET 39 -8.648 -0.760 4.625 301 HA MET 39 HA MET 39 -6.084 0.077 3.362 302 1HB MET 39 2HB MET 39 -6.284 -2.080 4.713 303 2HB MET 39 1HB MET 39 -7.292 -2.697 3.404 304 1HG MET 39 2HG MET 39 -5.380 -2.054 1.827 305 2HG MET 39 1HG MET 39 -4.395 -1.850 3.276 306 1HE MET 39 1HE MET 39 -5.994 -4.913 0.889 307 2HE MET 39 2HE MET 39 -7.041 -3.796 1.759 308 3HE MET 39 3HE MET 39 -6.886 -5.461 2.315 309 H VAL 40 HN VAL 40 -6.527 1.088 1.418 310 HA VAL 40 HA VAL 40 -8.728 0.077 -0.276 311 HB VAL 40 HB VAL 40 -6.803 2.351 -0.833 312 1HG1 VAL 40 1HG1 VAL 40 -8.530 1.116 -2.537 313 2HG1 VAL 40 2HG1 VAL 40 -8.109 2.824 -2.647 314 3HG1 VAL 40 3HG1 VAL 40 -9.594 2.333 -1.833 315 1HG2 VAL 40 1HG2 VAL 40 -8.451 3.833 0.136 316 2HG2 VAL 40 2HG2 VAL 40 -8.089 2.589 1.332 317 3HG2 VAL 40 3HG2 VAL 40 -9.576 2.498 0.388 318 H VAL 41 HN VAL 41 -8.325 -1.525 -1.682 319 HA VAL 41 HA VAL 41 -5.595 -1.706 -2.891 320 HB VAL 41 HB VAL 41 -6.249 -4.194 -3.177 321 1HG1 VAL 41 1HG1 VAL 41 -4.597 -3.170 -1.514 322 2HG1 VAL 41 2HG1 VAL 41 -5.272 -4.738 -1.075 323 3HG1 VAL 41 3HG1 VAL 41 -5.892 -3.269 -0.321 324 1HG2 VAL 41 1HG2 VAL 41 -7.876 -5.023 -1.539 325 2HG2 VAL 41 2HG2 VAL 41 -8.644 -3.850 -2.606 326 3HG2 VAL 41 3HG2 VAL 41 -8.172 -3.380 -0.973 327 H GLY 42 HN GLY 42 -5.860 -3.257 -4.947 328 1HA GLY 42 2HA GLY 42 -8.040 -2.062 -6.610 329 2HA GLY 42 1HA GLY 42 -6.486 -2.597 -7.255 330 H ARG 43 HN ARG 43 -9.439 -3.464 -7.688 331 HA ARG 43 HA ARG 43 -10.054 -5.979 -6.744 332 1HB ARG 43 2HB ARG 43 -11.375 -4.621 -8.406 333 2HB ARG 43 1HB ARG 43 -10.290 -5.216 -9.663 334 1HG ARG 43 2HG ARG 43 -11.341 -7.354 -7.947 335 2HG ARG 43 1HG ARG 43 -12.602 -6.483 -8.819 336 1HD ARG 43 2HD ARG 43 -10.126 -7.700 -10.080 337 2HD ARG 43 1HD ARG 43 -11.746 -8.392 -10.143 338 HE ARG 43 HE ARG 43 -11.849 -5.716 -11.131 339 1HH1 ARG 43 1HH2 ARG 43 -10.637 -8.868 -11.918 340 2HH1 ARG 43 2HH2 ARG 43 -10.717 -8.604 -13.626 341 1HH2 ARG 43 1HH1 ARG 43 -11.950 -5.380 -13.360 342 2HH2 ARG 43 2HH1 ARG 43 -11.457 -6.642 -14.438 343 H ARG 44 HN ARG 44 -7.427 -5.212 -8.934 344 HA ARG 44 HA ARG 44 -7.021 -8.000 -9.735 345 1HB ARG 44 2HB ARG 44 -5.663 -5.390 -10.221 346 2HB ARG 44 1HB ARG 44 -4.718 -6.860 -10.450 347 1HG ARG 44 2HG ARG 44 -7.406 -7.007 -11.629 348 2HG ARG 44 1HG ARG 44 -6.403 -5.739 -12.335 349 1HD ARG 44 2HD ARG 44 -5.094 -8.372 -11.897 350 2HD ARG 44 1HD ARG 44 -6.305 -8.298 -13.176 351 HE ARG 44 HE ARG 44 -4.725 -6.081 -13.655 352 1HH1 ARG 44 1HH1 ARG 44 -4.145 -9.473 -13.193 353 2HH1 ARG 44 2HH1 ARG 44 -2.741 -9.490 -14.203 354 1HH2 ARG 44 1HH2 ARG 44 -2.899 -6.116 -14.967 355 2HH2 ARG 44 2HH2 ARG 44 -2.038 -7.600 -15.203 356 H THR 45 HN THR 45 -5.480 -5.691 -7.492 357 HA THR 45 HA THR 45 -3.465 -7.559 -6.584 358 HB THR 45 HB THR 45 -4.585 -5.203 -5.042 359 HG1 THR 45 HG1 THR 45 -2.634 -5.332 -7.090 360 1HG2 THR 45 1HG2 THR 45 -2.723 -5.370 -3.719 361 2HG2 THR 45 2HG2 THR 45 -1.715 -5.968 -5.035 362 3HG2 THR 45 3HG2 THR 45 -2.819 -7.063 -4.206 363 H TYR 46 HN TYR 46 -6.501 -6.400 -5.067 364 HA TYR 46 HA TYR 46 -6.488 -8.063 -2.799 365 1HB TYR 46 2HB TYR 46 -8.168 -6.238 -3.378 366 2HB TYR 46 1HB TYR 46 -8.975 -7.424 -4.403 367 HD1 TYR 46 HD1 TYR 46 -10.388 -9.097 -3.477 368 HD2 TYR 46 HD2 TYR 46 -7.886 -6.739 -0.904 369 HE1 TYR 46 HE1 TYR 46 -11.557 -10.017 -1.494 370 HE2 TYR 46 HE2 TYR 46 -9.057 -7.655 1.077 371 HH TYR 46 HH TYR 46 -11.941 -9.093 1.004 372 H GLU 47 HN GLU 47 -7.579 -8.807 -6.101 373 HA GLU 47 HA GLU 47 -8.503 -11.475 -5.422 374 1HB GLU 47 2HB GLU 47 -8.047 -9.932 -7.945 375 2HB GLU 47 1HB GLU 47 -8.171 -11.688 -8.053 376 1HG GLU 47 HG2 GLU 47 -10.288 -11.322 -6.513 377 2HG GLU 47 HG1 GLU 47 -10.236 -9.693 -7.189 378 H SER 48 HN SER 48 -5.413 -10.083 -5.931 379 HA SER 48 HA SER 48 -4.203 -12.707 -6.633 380 1HB SER 48 2HB SER 48 -3.569 -10.484 -7.786 381 2HB SER 48 1HB SER 48 -2.716 -10.102 -6.293 382 HG SER 48 HG SER 48 -1.951 -11.675 -8.308 383 H PHE 49 HN PHE 49 -4.685 -10.576 -3.940 384 HA PHE 49 HA PHE 49 -2.522 -11.043 -2.248 385 1HB PHE 49 2HB PHE 49 -5.377 -10.450 -1.898 386 2HB PHE 49 1HB PHE 49 -4.679 -11.326 -0.539 387 HD1 PHE 49 HD1 PHE 49 -4.341 -8.274 -2.637 388 HD2 PHE 49 HD2 PHE 49 -3.159 -10.281 0.969 389 HE1 PHE 49 HE1 PHE 49 -3.310 -6.178 -1.801 390 HE2 PHE 49 HE2 PHE 49 -2.131 -8.194 1.799 391 HZ PHE 49 HZ PHE 49 -2.201 -6.139 0.415 392 HA PRO 50 HA PRO 50 -2.653 -15.367 -1.131 393 1HB PRO 50 2HB PRO 50 -1.531 -15.121 1.405 394 2HB PRO 50 1HB PRO 50 -0.625 -15.163 -0.115 395 1HG PRO 50 2HG PRO 50 -0.929 -12.968 1.698 396 2HG PRO 50 1HG PRO 50 -0.021 -13.019 0.179 397 1HD PRO 50 2HD PRO 50 -2.678 -11.885 0.717 398 2HD PRO 50 1HD PRO 50 -1.576 -11.568 -0.634 399 H LYS 51 HN LYS 51 -3.483 -13.371 1.752 400 HA LYS 51 HA LYS 51 -5.782 -15.234 2.208 401 1HB LYS 51 2HB LYS 51 -3.541 -14.615 3.928 402 2HB LYS 51 1HB LYS 51 -5.045 -14.098 4.691 403 1HG LYS 51 2HG LYS 51 -5.906 -16.462 3.884 404 2HG LYS 51 1HG LYS 51 -4.186 -16.851 3.874 405 1HD LYS 51 2HD LYS 51 -3.954 -16.445 6.184 406 2HD LYS 51 1HD LYS 51 -5.450 -15.514 6.261 407 1HE LYS 51 2HE LYS 51 -6.077 -18.130 5.278 408 2HE LYS 51 1HE LYS 51 -5.097 -18.305 6.734 409 1HZ LYS 51 1HE LYS 51 -7.150 -18.067 7.652 410 2HZ LYS 51 2HE LYS 51 -7.735 -17.079 6.399 411 3HZ LYS 51 3HE LYS 51 -6.700 -16.433 7.582 412 H ARG 52 HN ARG 52 -7.427 -13.911 1.437 413 HA ARG 52 HA ARG 52 -7.624 -11.194 2.673 414 1HB ARG 52 2HB ARG 52 -9.072 -12.065 0.169 415 2HB ARG 52 1HB ARG 52 -8.767 -10.428 0.744 416 1HG ARG 52 2HG ARG 52 -7.029 -10.477 -0.718 417 2HG ARG 52 1HG ARG 52 -6.222 -11.393 0.555 418 1HD ARG 52 2HD ARG 52 -6.039 -12.590 -1.578 419 2HD ARG 52 1HD ARG 52 -7.054 -13.501 -0.461 420 HE ARG 52 HE ARG 52 -8.763 -11.830 -1.981 421 1HH1 ARG 52 1HH1 ARG 52 -6.582 -14.497 -2.403 422 2HH1 ARG 52 2HH1 ARG 52 -7.440 -15.137 -3.763 423 1HH2 ARG 52 1HH2 ARG 52 -9.871 -12.670 -3.750 424 2HH2 ARG 52 2HH2 ARG 52 -9.293 -14.109 -4.522 425 HA PRO 53 HA PRO 53 -8.886 -9.712 3.051 426 1HB PRO 53 2HB PRO 53 -10.399 -8.704 5.142 427 2HB PRO 53 1HB PRO 53 -10.861 -8.627 3.435 428 1HG PRO 53 2HG PRO 53 -12.089 -10.143 5.549 429 2HG PRO 53 1HG PRO 53 -12.595 -9.999 3.859 430 1HD PRO 53 2HD PRO 53 -11.132 -12.180 5.171 431 2HD PRO 53 1HD PRO 53 -11.975 -12.173 3.611 432 H LEU 54 HN LEU 54 -8.045 -8.338 5.053 433 HA LEU 54 HA LEU 54 -6.313 -10.099 6.598 434 1HB LEU 54 2HB LEU 54 -6.762 -7.104 6.659 435 2HB LEU 54 1HB LEU 54 -5.579 -7.928 7.676 436 HG LEU 54 HG LEU 54 -5.542 -8.516 4.749 437 1HD1 LEU 54 1HD1 LEU 54 -4.115 -6.091 5.833 438 2HD1 LEU 54 2HD1 LEU 54 -5.744 -5.960 5.169 439 3HD1 LEU 54 3HD1 LEU 54 -4.423 -6.531 4.153 440 1HD2 LEU 54 1HD2 LEU 54 -3.010 -7.934 5.998 441 2HD2 LEU 54 2HD2 LEU 54 -3.594 -9.471 5.361 442 3HD2 LEU 54 3HD2 LEU 54 -3.931 -9.024 7.034 443 HA PRO 55 HA PRO 55 -8.860 -10.552 10.210 444 1HB PRO 55 2HB PRO 55 -6.748 -11.012 12.002 445 2HB PRO 55 1HB PRO 55 -7.590 -12.234 11.040 446 1HG PRO 55 2HG PRO 55 -4.894 -11.312 10.765 447 2HG PRO 55 1HG PRO 55 -5.729 -12.558 9.828 448 1HD PRO 55 2HD PRO 55 -5.092 -9.822 9.065 449 2HD PRO 55 1HD PRO 55 -5.689 -11.152 8.060 450 H GLU 56 HN GLU 56 -9.620 -9.256 11.866 451 HA GLU 56 HA GLU 56 -9.889 -7.255 13.074 452 1HB GLU 56 2HB GLU 56 -7.066 -8.139 13.636 453 2HB GLU 56 1HB GLU 56 -7.714 -6.673 14.373 454 1HG GLU 56 HG2 GLU 56 -9.762 -8.332 14.894 455 2HG GLU 56 HG1 GLU 56 -8.458 -9.519 14.844 456 H ARG 57 HN ARG 57 -9.199 -6.888 10.257 457 HA ARG 57 HA ARG 57 -8.098 -4.139 10.489 458 1HB ARG 57 2HB ARG 57 -6.865 -6.406 9.013 459 2HB ARG 57 1HB ARG 57 -6.917 -4.859 8.170 460 1HG ARG 57 2HG ARG 57 -5.127 -4.201 9.361 461 2HG ARG 57 1HG ARG 57 -6.121 -4.264 10.815 462 1HD ARG 57 2HD ARG 57 -5.391 -6.941 10.165 463 2HD ARG 57 1HD ARG 57 -3.929 -5.960 10.087 464 HE ARG 57 HE ARG 57 -5.057 -5.138 12.446 465 1HH1 ARG 57 1HH2 ARG 57 -4.355 -8.252 11.073 466 2HH1 ARG 57 2HH2 ARG 57 -4.114 -9.003 12.612 467 1HH2 ARG 57 1HH1 ARG 57 -4.732 -6.126 14.436 468 2HH2 ARG 57 2HH1 ARG 57 -4.324 -7.808 14.506 469 H THR 58 HN THR 58 -9.240 -2.722 9.240 470 HA THR 58 HA THR 58 -11.474 -3.761 7.645 471 HB THR 58 HB THR 58 -10.615 -0.870 7.925 472 HG1 THR 58 HG1 THR 58 -10.943 -1.294 9.972 473 1HG2 THR 58 1HG2 THR 58 -12.443 -1.778 6.274 474 2HG2 THR 58 2HG2 THR 58 -12.789 -0.351 7.251 475 3HG2 THR 58 3HG2 THR 58 -13.422 -1.924 7.734 476 H ASN 59 HN ASN 59 -11.328 -4.150 5.491 477 HA ASN 59 HA ASN 59 -9.203 -2.709 3.951 478 1HB ASN 59 2HB ASN 59 -10.159 -5.483 3.247 479 2HB ASN 59 1HB ASN 59 -8.674 -4.675 2.751 480 1HD2 ASN 59 1HD2 ASN 59 -7.920 -3.690 5.397 481 2HD2 ASN 59 2HD2 ASN 59 -7.488 -5.039 6.332 482 H VAL 60 HN VAL 60 -9.815 -1.966 1.890 483 HA VAL 60 HA VAL 60 -12.679 -2.399 1.141 484 HB VAL 60 HB VAL 60 -11.081 0.131 0.658 485 1HG1 VAL 60 1HG1 VAL 60 -13.957 0.394 0.748 486 2HG1 VAL 60 2HG1 VAL 60 -13.506 -0.859 -0.406 487 3HG1 VAL 60 3HG1 VAL 60 -12.852 0.770 -0.573 488 1HG2 VAL 60 1HG2 VAL 60 -13.181 -0.388 2.785 489 2HG2 VAL 60 2HG2 VAL 60 -12.308 1.117 2.517 490 3HG2 VAL 60 3HG2 VAL 60 -11.448 -0.310 3.094 491 H VAL 61 HN VAL 61 -12.996 -2.991 -0.988 492 HA VAL 61 HA VAL 61 -10.544 -3.305 -2.644 493 HB VAL 61 HB VAL 61 -13.292 -4.439 -3.211 494 1HG1 VAL 61 1HG1 VAL 61 -11.830 -4.558 -5.106 495 2HG1 VAL 61 2HG1 VAL 61 -11.834 -6.166 -4.382 496 3HG1 VAL 61 3HG1 VAL 61 -10.473 -5.078 -4.108 497 1HG2 VAL 61 1HG2 VAL 61 -12.960 -6.178 -1.765 498 2HG2 VAL 61 2HG2 VAL 61 -11.938 -5.020 -0.917 499 3HG2 VAL 61 3HG2 VAL 61 -11.216 -6.188 -2.020 500 H LEU 62 HN LEU 62 -10.456 -2.506 -4.785 501 HA LEU 62 HA LEU 62 -12.581 -0.505 -5.464 502 1HB LEU 62 2HB LEU 62 -9.755 -0.179 -5.233 503 2HB LEU 62 1HB LEU 62 -10.159 -0.044 -6.943 504 HG LEU 62 HG LEU 62 -12.027 1.547 -6.231 505 1HD1 LEU 62 1HD1 LEU 62 -11.046 2.628 -3.915 506 2HD1 LEU 62 2HD1 LEU 62 -10.760 0.911 -3.638 507 3HD1 LEU 62 3HD1 LEU 62 -12.388 1.488 -3.984 508 1HD2 LEU 62 1HD2 LEU 62 -10.581 3.177 -6.836 509 2HD2 LEU 62 2HD2 LEU 62 -9.298 1.971 -6.747 510 3HD2 LEU 62 3HD2 LEU 62 -9.652 2.986 -5.350 511 H THR 63 HN THR 63 -13.775 -1.149 -7.205 512 HA THR 63 HA THR 63 -12.404 -2.565 -9.422 513 HB THR 63 HB THR 63 -13.254 -4.332 -7.883 514 HG1 THR 63 HG1 THR 63 -13.220 -4.641 -10.159 515 1HG2 THR 63 1HG2 THR 63 -15.501 -4.512 -7.276 516 2HG2 THR 63 2HG2 THR 63 -16.046 -3.511 -8.620 517 3HG2 THR 63 3HG2 THR 63 -15.257 -2.766 -7.230 518 H HIS 64 HN HIS 64 -13.723 -2.612 -11.397 519 HA HIS 64 HA HIS 64 -15.566 -0.283 -11.507 520 1HB HIS 64 2HB HIS 64 -13.774 -1.666 -13.433 521 2HB HIS 64 1HB HIS 64 -15.284 -1.039 -14.093 522 HD1 HIS 64 HD1 HIS 64 -15.750 1.576 -12.943 523 HD2 HIS 64 HD2 HIS 64 -11.845 0.287 -13.632 524 HE1 HIS 64 HE1 HIS 64 -14.314 3.660 -13.037 525 H GLN 65 HN GLN 65 -15.899 -3.480 -10.907 526 HA GLN 65 HA GLN 65 -18.064 -4.093 -12.781 527 1HB GLN 65 2HB GLN 65 -16.766 -5.501 -10.464 528 2HB GLN 65 1HB GLN 65 -18.322 -6.070 -11.069 529 1HG GLN 65 2HG GLN 65 -16.496 -7.261 -12.198 530 2HG GLN 65 1HG GLN 65 -17.355 -6.238 -13.349 531 1HE2 GLN 65 1HE2 GLN 65 -14.444 -6.222 -11.228 532 2HE2 GLN 65 2HE2 GLN 65 -13.539 -5.186 -12.224 533 H GLU 66 HN GLU 66 -20.201 -4.917 -11.691 534 HA GLU 66 HA GLU 66 -21.002 -2.892 -9.639 535 1HB GLU 66 2HB GLU 66 -22.002 -3.221 -12.215 536 2HB GLU 66 1HB GLU 66 -23.191 -4.040 -11.203 537 1HG GLU 66 HG2 GLU 66 -23.322 -2.019 -9.761 538 2HG GLU 66 HG1 GLU 66 -22.191 -1.200 -10.838 539 H ASP 67 HN ASP 67 -20.879 -6.262 -10.450 540 HA ASP 67 HA ASP 67 -22.726 -6.894 -8.194 541 1HB ASP 67 2HB ASP 67 -21.906 -8.326 -10.683 542 2HB ASP 67 1HB ASP 67 -22.306 -9.301 -9.268 543 H TYR 68 HN TYR 68 -19.883 -6.008 -7.880 544 HA TYR 68 HA TYR 68 -18.195 -8.228 -7.264 545 1HB TYR 68 2HB TYR 68 -17.683 -5.646 -7.351 546 2HB TYR 68 1HB TYR 68 -18.103 -5.701 -5.639 547 HD1 TYR 68 HD1 TYR 68 -15.995 -7.482 -8.177 548 HD2 TYR 68 HD2 TYR 68 -16.474 -6.311 -4.073 549 HE1 TYR 68 HE1 TYR 68 -13.751 -8.398 -7.654 550 HE2 TYR 68 HE2 TYR 68 -14.229 -7.226 -3.550 551 HH TYR 68 HH TYR 68 -12.708 -9.285 -4.975 552 H GLN 69 HN GLN 69 -18.788 -9.833 -5.867 553 HA GLN 69 HA GLN 69 -20.444 -9.122 -3.501 554 1HB GLN 69 2HB GLN 69 -19.737 -11.785 -4.766 555 2HB GLN 69 1HB GLN 69 -20.677 -11.622 -3.283 556 1HG GLN 69 2HG GLN 69 -21.732 -9.870 -5.335 557 2HG GLN 69 1HG GLN 69 -21.652 -11.528 -5.928 558 1HE2 GLN 69 1HE2 GLN 69 -23.848 -9.561 -4.601 559 2HE2 GLN 69 2HE2 GLN 69 -24.695 -10.641 -3.602 560 H ALA 70 HN ALA 70 -19.097 -8.433 -1.876 561 HA ALA 70 HA ALA 70 -16.945 -10.322 -1.040 562 1HB ALA 70 1HB ALA 70 -16.307 -7.996 -2.272 563 2HB ALA 70 2HB ALA 70 -15.306 -8.720 -1.014 564 3HB ALA 70 3HB ALA 70 -16.433 -7.426 -0.608 565 H GLN 71 HN GLN 71 -18.532 -11.011 0.561 566 HA GLN 71 HA GLN 71 -19.641 -9.111 2.458 567 1HB GLN 71 2HB GLN 71 -19.446 -12.127 2.393 568 2HB GLN 71 1HB GLN 71 -20.146 -11.264 3.763 569 1HG GLN 71 2HG GLN 71 -21.655 -10.082 2.076 570 2HG GLN 71 1HG GLN 71 -21.102 -11.270 0.895 571 1HE2 GLN 71 1HE2 GLN 71 -22.053 -13.348 0.964 572 2HE2 GLN 71 2HE2 GLN 71 -23.162 -13.841 2.152 573 H GLY 72 HN GLY 72 -18.670 -8.325 4.265 574 1HA GLY 72 2HA GLY 72 -17.304 -8.663 6.273 575 2HA GLY 72 1HA GLY 72 -16.306 -9.785 5.349 576 H ALA 73 HN ALA 73 -16.132 -8.091 2.978 577 HA ALA 73 HA ALA 73 -14.306 -6.002 4.082 578 1HB ALA 73 1HB ALA 73 -13.156 -7.736 2.771 579 2HB ALA 73 2HB ALA 73 -13.094 -6.187 1.930 580 3HB ALA 73 3HB ALA 73 -14.230 -7.430 1.406 581 H VAL 74 HN VAL 74 -14.465 -3.930 3.302 582 HA VAL 74 HA VAL 74 -16.988 -2.980 2.345 583 HB VAL 74 HB VAL 74 -14.324 -1.579 2.015 584 1HG1 VAL 74 1HG1 VAL 74 -17.174 -0.592 2.334 585 2HG1 VAL 74 2HG1 VAL 74 -16.187 -0.490 0.875 586 3HG1 VAL 74 3HG1 VAL 74 -15.751 0.449 2.303 587 1HG2 VAL 74 1HG2 VAL 74 -14.191 -1.274 4.254 588 2HG2 VAL 74 2HG2 VAL 74 -15.399 -2.548 4.407 589 3HG2 VAL 74 3HG2 VAL 74 -15.900 -0.858 4.368 590 H VAL 75 HN VAL 75 -17.394 -1.926 0.187 591 HA VAL 75 HA VAL 75 -15.633 -2.835 -2.007 592 HB VAL 75 HB VAL 75 -18.602 -3.472 -1.907 593 1HG1 VAL 75 1HG1 VAL 75 -17.553 -2.904 -4.156 594 2HG1 VAL 75 2HG1 VAL 75 -18.283 -4.506 -4.047 595 3HG1 VAL 75 3HG1 VAL 75 -16.531 -4.325 -3.944 596 1HG2 VAL 75 1HG2 VAL 75 -16.121 -5.089 -1.397 597 2HG2 VAL 75 2HG2 VAL 75 -17.528 -5.870 -2.116 598 3HG2 VAL 75 3HG2 VAL 75 -17.657 -5.108 -0.531 599 H VAL 76 HN VAL 76 -15.482 -1.173 -3.489 600 HA VAL 76 HA VAL 76 -17.782 0.657 -3.829 601 HB VAL 76 HB VAL 76 -16.269 2.650 -3.546 602 1HG1 VAL 76 1HG1 VAL 76 -16.291 2.557 -1.058 603 2HG1 VAL 76 2HG1 VAL 76 -16.644 0.832 -1.146 604 3HG1 VAL 76 3HG1 VAL 76 -17.811 2.003 -1.759 605 1HG2 VAL 76 1HG2 VAL 76 -14.344 1.463 -1.809 606 2HG2 VAL 76 2HG2 VAL 76 -14.055 2.298 -3.334 607 3HG2 VAL 76 3HG2 VAL 76 -14.315 0.554 -3.320 608 H HIS 77 HN HIS 77 -17.355 2.196 -5.684 609 HA HIS 77 HA HIS 77 -15.302 1.185 -7.592 610 1HB HIS 77 2HB HIS 77 -18.100 1.785 -8.538 611 2HB HIS 77 1HB HIS 77 -16.844 0.842 -9.338 612 HD1 HIS 77 HD1 HIS 77 -16.435 -1.587 -8.466 613 HD2 HIS 77 HD2 HIS 77 -19.649 0.347 -6.654 614 HE1 HIS 77 HE1 HIS 77 -17.741 -3.374 -7.232 615 H ASP 78 HN ASP 78 -15.422 3.629 -5.993 616 HA ASP 78 HA ASP 78 -14.912 5.540 -8.102 617 1HB ASP 78 2HB ASP 78 -17.554 5.373 -7.629 618 2HB ASP 78 1HB ASP 78 -17.118 6.511 -6.353 619 H VAL 79 HN VAL 79 -13.051 6.286 -7.177 620 HA VAL 79 HA VAL 79 -12.240 6.349 -4.548 621 HB VAL 79 HB VAL 79 -11.761 8.480 -6.652 622 1HG1 VAL 79 1HG1 VAL 79 -9.570 8.619 -5.131 623 2HG1 VAL 79 2HG1 VAL 79 -10.701 8.086 -3.885 624 3HG1 VAL 79 3HG1 VAL 79 -11.002 9.582 -4.769 625 1HG2 VAL 79 1HG2 VAL 79 -10.992 5.788 -6.540 626 2HG2 VAL 79 2HG2 VAL 79 -9.572 6.674 -5.985 627 3HG2 VAL 79 3HG2 VAL 79 -10.278 7.037 -7.559 628 H ALA 80 HN ALA 80 -14.557 8.541 -6.039 629 HA ALA 80 HA ALA 80 -14.596 10.579 -4.055 630 1HB ALA 80 1HB ALA 80 -15.789 10.770 -6.210 631 2HB ALA 80 2HB ALA 80 -16.884 11.048 -4.856 632 3HB ALA 80 3HB ALA 80 -16.905 9.502 -5.704 633 H ALA 81 HN ALA 81 -16.402 7.509 -4.258 634 HA ALA 81 HA ALA 81 -17.898 7.905 -1.840 635 1HB ALA 81 1HB ALA 81 -18.755 6.228 -3.245 636 2HB ALA 81 2HB ALA 81 -17.996 5.301 -1.952 637 3HB ALA 81 3HB ALA 81 -17.170 5.498 -3.498 638 H VAL 82 HN VAL 82 -14.848 6.141 -2.494 639 HA VAL 82 HA VAL 82 -14.393 5.158 0.108 640 HB VAL 82 HB VAL 82 -12.227 6.230 -1.718 641 1HG1 VAL 82 1HG1 VAL 82 -10.875 5.331 -0.162 642 2HG1 VAL 82 2HG1 VAL 82 -11.583 3.751 -0.489 643 3HG1 VAL 82 3HG1 VAL 82 -12.267 4.780 0.769 644 1HG2 VAL 82 1HG2 VAL 82 -14.199 4.331 -2.386 645 2HG2 VAL 82 2HG2 VAL 82 -12.768 3.388 -1.976 646 3HG2 VAL 82 3HG2 VAL 82 -12.681 4.621 -3.233 647 H PHE 83 HN PHE 83 -13.642 8.358 -1.257 648 HA PHE 83 HA PHE 83 -12.188 9.370 0.973 649 1HB PHE 83 2HB PHE 83 -13.693 10.566 -1.309 650 2HB PHE 83 1HB PHE 83 -13.324 11.619 0.056 651 HD1 PHE 83 HD1 PHE 83 -12.121 10.569 -3.030 652 HD2 PHE 83 HD2 PHE 83 -10.803 11.178 1.011 653 HE1 PHE 83 HE1 PHE 83 -9.783 10.806 -3.825 654 HE2 PHE 83 HE2 PHE 83 -8.470 11.414 0.215 655 HZ PHE 83 HZ PHE 83 -7.960 11.226 -2.204 656 H ALA 84 HN ALA 84 -15.666 9.191 0.326 657 HA ALA 84 HA ALA 84 -16.576 10.852 2.440 658 1HB ALA 84 1HB ALA 84 -18.257 8.498 2.073 659 2HB ALA 84 2HB ALA 84 -17.759 9.191 0.529 660 3HB ALA 84 3HB ALA 84 -18.606 10.188 1.711 661 H TYR 85 HN TYR 85 -16.296 7.270 2.481 662 HA TYR 85 HA TYR 85 -16.904 6.790 5.143 663 1HB TYR 85 2HB TYR 85 -16.124 5.191 3.187 664 2HB TYR 85 1HB TYR 85 -14.553 5.352 3.973 665 HD1 TYR 85 HD1 TYR 85 -18.151 4.679 4.799 666 HD2 TYR 85 HD2 TYR 85 -14.032 3.952 5.768 667 HE1 TYR 85 HE1 TYR 85 -18.846 3.044 6.529 668 HE2 TYR 85 HE2 TYR 85 -14.724 2.316 7.497 669 HH TYR 85 HH TYR 85 -16.581 0.945 8.089 670 H ALA 86 HN ALA 86 -13.585 7.449 3.925 671 HA ALA 86 HA ALA 86 -12.275 7.432 6.421 672 1HB ALA 86 1HB ALA 86 -11.394 9.529 4.526 673 2HB ALA 86 2HB ALA 86 -11.492 7.901 3.857 674 3HB ALA 86 3HB ALA 86 -10.474 8.217 5.262 675 H LYS 87 HN LYS 87 -13.813 10.185 4.749 676 HA LYS 87 HA LYS 87 -13.259 12.111 6.801 677 1HB LYS 87 2HB LYS 87 -14.295 12.264 4.298 678 2HB LYS 87 1HB LYS 87 -15.773 12.407 5.249 679 1HG LYS 87 2HG LYS 87 -15.268 14.577 5.576 680 2HG LYS 87 1HG LYS 87 -13.895 14.051 6.551 681 1HD LYS 87 2HD LYS 87 -12.388 14.240 4.768 682 2HD LYS 87 1HD LYS 87 -13.663 14.132 3.553 683 1HE LYS 87 2HE LYS 87 -13.163 16.415 3.514 684 2HE LYS 87 1HE LYS 87 -14.517 16.361 4.643 685 1HZ LYS 87 1HE LYS 87 -13.189 17.296 6.130 686 2HZ LYS 87 2HE LYS 87 -11.842 17.168 5.104 687 3HZ LYS 87 3HE LYS 87 -12.245 15.887 6.144 688 H GLN 88 HN GLN 88 -15.650 9.603 6.495 689 HA GLN 88 HA GLN 88 -17.374 10.739 8.590 690 1HB GLN 88 2HB GLN 88 -17.539 8.564 6.628 691 2HB GLN 88 1HB GLN 88 -18.212 8.133 8.201 692 1HG GLN 88 2HG GLN 88 -20.051 9.128 7.162 693 2HG GLN 88 1HG GLN 88 -19.362 10.490 8.045 694 1HE2 GLN 88 1HE2 GLN 88 -20.022 9.221 4.856 695 2HE2 GLN 88 2HE2 GLN 88 -19.395 10.537 3.986 696 H HIS 89 HN HIS 89 -14.995 8.090 8.297 697 HA HIS 89 HA HIS 89 -15.495 7.285 11.084 698 1HB HIS 89 2HB HIS 89 -13.930 6.234 8.779 699 2HB HIS 89 1HB HIS 89 -13.350 5.829 10.394 700 HD1 HIS 89 HD1 HIS 89 -14.469 3.883 11.484 701 HD2 HIS 89 HD2 HIS 89 -16.850 5.544 8.492 702 HE1 HIS 89 HE1 HIS 89 -16.519 2.407 11.298 703 HA PRO 90 HA PRO 90 -12.222 10.118 12.423 704 1HB PRO 90 2HB PRO 90 -13.014 9.989 15.079 705 2HB PRO 90 1HB PRO 90 -13.639 11.138 13.887 706 1HG PRO 90 2HG PRO 90 -15.011 8.947 15.156 707 2HG PRO 90 1HG PRO 90 -15.660 10.164 14.047 708 1HD PRO 90 2HD PRO 90 -14.911 7.393 13.496 709 2HD PRO 90 1HD PRO 90 -15.839 8.523 12.496 710 H ASP 91 HN ASP 91 -12.377 6.891 12.588 711 HA ASP 91 HA ASP 91 -9.926 6.712 14.262 712 1HB ASP 91 2HB ASP 91 -12.490 5.199 14.630 713 2HB ASP 91 1HB ASP 91 -10.963 4.388 14.979 714 H GLN 92 HN GLN 92 -11.219 6.331 11.323 715 HA GLN 92 HA GLN 92 -9.270 4.235 10.559 716 1HB GLN 92 2HB GLN 92 -11.919 3.562 10.869 717 2HB GLN 92 1HB GLN 92 -11.881 4.046 9.175 718 1HG GLN 92 2HG GLN 92 -10.692 2.217 8.566 719 2HG GLN 92 1HG GLN 92 -9.608 2.358 9.946 720 1HE2 GLN 92 1HE2 GLN 92 -13.072 1.518 9.339 721 2HE2 GLN 92 2HE2 GLN 92 -13.108 0.246 10.463 722 H GLU 93 HN GLU 93 -8.025 5.763 9.351 723 HA GLU 93 HA GLU 93 -9.422 7.672 7.625 724 1HB GLU 93 2HB GLU 93 -6.510 7.106 8.217 725 2HB GLU 93 1HB GLU 93 -7.019 8.295 7.021 726 1HG GLU 93 HG2 GLU 93 -7.289 9.798 8.670 727 2HG GLU 93 HG1 GLU 93 -8.568 8.787 9.344 728 H LEU 94 HN LEU 94 -7.636 7.732 5.459 729 HA LEU 94 HA LEU 94 -8.463 5.252 4.032 730 1HB LEU 94 2HB LEU 94 -8.800 7.876 3.324 731 2HB LEU 94 1HB LEU 94 -7.310 7.479 2.472 732 HG LEU 94 HG LEU 94 -8.509 5.388 1.627 733 1HD1 LEU 94 1HD1 LEU 94 -10.739 5.067 2.035 734 2HD1 LEU 94 2HD1 LEU 94 -11.090 6.795 2.049 735 3HD1 LEU 94 3HD1 LEU 94 -10.392 6.025 3.473 736 1HD2 LEU 94 1HD2 LEU 94 -10.093 7.099 0.180 737 2HD2 LEU 94 2HD2 LEU 94 -8.376 6.840 -0.127 738 3HD2 LEU 94 3HD2 LEU 94 -8.900 8.212 0.849 739 H VAL 95 HN VAL 95 -6.865 3.745 3.944 740 HA VAL 95 HA VAL 95 -4.055 4.721 3.602 741 HB VAL 95 HB VAL 95 -4.981 2.089 4.802 742 1HG1 VAL 95 1HG1 VAL 95 -2.581 1.900 5.447 743 2HG1 VAL 95 2HG1 VAL 95 -2.244 3.365 4.526 744 3HG1 VAL 95 3HG1 VAL 95 -2.807 1.913 3.698 745 1HG2 VAL 95 1HG2 VAL 95 -3.955 3.145 6.896 746 2HG2 VAL 95 2HG2 VAL 95 -5.499 3.818 6.372 747 3HG2 VAL 95 3HG2 VAL 95 -3.999 4.678 6.023 748 H ILE 96 HN ILE 96 -3.196 4.254 1.644 749 HA ILE 96 HA ILE 96 -4.695 2.569 -0.219 750 HB ILE 96 HB ILE 96 -1.966 3.790 -0.672 751 1HG1 ILE 96 2HG1 ILE 96 -3.626 5.487 0.182 752 2HG1 ILE 96 1HG1 ILE 96 -3.080 5.797 -1.463 753 1HG2 ILE 96 1HG2 ILE 96 -2.613 2.249 -2.394 754 2HG2 ILE 96 2HG2 ILE 96 -2.909 3.865 -3.034 755 3HG2 ILE 96 3HG2 ILE 96 -4.251 2.891 -2.438 756 1HD1 ILE 96 1HD1 ILE 96 -5.459 4.061 -1.260 757 2HD1 ILE 96 2HD1 ILE 96 -5.132 5.406 -2.353 758 3HD1 ILE 96 3HD1 ILE 96 -5.704 5.721 -0.715 759 H ALA 97 HN ALA 97 -4.055 0.562 -1.015 760 HA ALA 97 HA ALA 97 -1.664 -0.661 0.293 761 1HB ALA 97 1HB ALA 97 -4.433 -1.744 -0.130 762 2HB ALA 97 2HB ALA 97 -3.416 -1.820 1.309 763 3HB ALA 97 3HB ALA 97 -3.060 -2.850 -0.077 764 H GLY 98 HN GLY 98 -3.013 0.329 -2.609 765 1HA GLY 98 2HA GLY 98 -1.673 0.128 -4.626 766 2HA GLY 98 1HA GLY 98 -1.138 -1.453 -4.077 767 H GLY 99 HN GLY 99 -3.396 -2.400 -6.720 768 1HA GLY 99 2HA GLY 99 -0.666 -2.156 -5.785 769 2HA GLY 99 1HA GLY 99 -1.178 -2.607 -7.405 770 H ALA 100 HN ALA 100 0.102 -1.260 -8.604 771 HA ALA 100 HA ALA 100 0.712 1.465 -7.961 772 1HB ALA 100 1HB ALA 100 2.195 0.541 -9.502 773 2HB ALA 100 2HB ALA 100 1.166 1.514 -10.554 774 3HB ALA 100 3HB ALA 100 0.907 -0.226 -10.432 775 H GLN 101 HN GLN 101 -1.863 -0.001 -9.903 776 HA GLN 101 HA GLN 101 -2.852 2.354 -11.116 777 1HB GLN 101 2HB GLN 101 -3.742 -0.351 -10.762 778 2HB GLN 101 1HB GLN 101 -5.086 0.732 -10.400 779 1HG GLN 101 2HG GLN 101 -3.375 1.047 -12.874 780 2HG GLN 101 1HG GLN 101 -4.832 0.052 -12.851 781 1HE2 GLN 101 1HE2 GLN 101 -6.907 1.201 -12.258 782 2HE2 GLN 101 2HE2 GLN 101 -7.053 2.858 -12.598 783 H ILE 102 HN ILE 102 -3.476 1.032 -7.846 784 HA ILE 102 HA ILE 102 -5.459 3.064 -7.255 785 HB ILE 102 HB ILE 102 -3.923 1.313 -5.317 786 1HG1 ILE 102 2HG1 ILE 102 -4.890 -0.087 -7.093 787 2HG1 ILE 102 1HG1 ILE 102 -5.799 -0.295 -5.597 788 1HG2 ILE 102 1HG2 ILE 102 -6.191 1.478 -4.128 789 2HG2 ILE 102 2HG2 ILE 102 -6.547 2.806 -5.236 790 3HG2 ILE 102 3HG2 ILE 102 -5.186 2.928 -4.121 791 1HD1 ILE 102 1HD1 ILE 102 -7.365 1.544 -6.490 792 2HD1 ILE 102 2HD1 ILE 102 -7.459 -0.031 -7.277 793 3HD1 ILE 102 3HD1 ILE 102 -6.580 1.289 -8.048 794 H PHE 103 HN PHE 103 -1.950 2.849 -6.933 795 HA PHE 103 HA PHE 103 -1.741 4.992 -4.982 796 1HB PHE 103 2HB PHE 103 0.268 3.803 -6.920 797 2HB PHE 103 1HB PHE 103 0.670 5.051 -5.747 798 HD1 PHE 103 HD1 PHE 103 1.565 1.991 -6.102 799 HD2 PHE 103 HD2 PHE 103 -1.083 4.091 -3.452 800 HE1 PHE 103 HE1 PHE 103 1.915 0.250 -4.373 801 HE2 PHE 103 HE2 PHE 103 -0.738 2.348 -1.726 802 HZ PHE 103 HZ PHE 103 0.762 0.427 -2.184 803 H THR 104 HN THR 104 -2.076 4.811 -8.444 804 HA THR 104 HA THR 104 -1.109 7.517 -8.946 805 HB THR 104 HB THR 104 -2.916 6.046 -10.838 806 HG1 THR 104 HG1 THR 104 -1.582 4.419 -10.337 807 1HG2 THR 104 1HG2 THR 104 -1.734 8.377 -11.137 808 2HG2 THR 104 2HG2 THR 104 -1.753 7.228 -12.475 809 3HG2 THR 104 3HG2 THR 104 -0.311 7.391 -11.474 810 H ALA 105 HN ALA 105 -4.348 5.985 -8.870 811 HA ALA 105 HA ALA 105 -5.822 8.353 -9.416 812 1HB ALA 105 1HB ALA 105 -7.605 7.051 -7.941 813 2HB ALA 105 2HB ALA 105 -6.440 5.737 -8.102 814 3HB ALA 105 3HB ALA 105 -7.154 6.464 -9.542 815 H PHE 106 HN PHE 106 -4.418 7.156 -6.403 816 HA PHE 106 HA PHE 106 -5.724 9.386 -4.922 817 1HB PHE 106 2HB PHE 106 -4.174 6.948 -4.026 818 2HB PHE 106 1HB PHE 106 -4.663 8.231 -2.919 819 HD1 PHE 106 HD1 PHE 106 -6.874 8.345 -2.080 820 HD2 PHE 106 HD2 PHE 106 -5.972 5.757 -5.383 821 HE1 PHE 106 HE1 PHE 106 -9.131 7.335 -1.906 822 HE2 PHE 106 HE2 PHE 106 -8.227 4.747 -5.211 823 HZ PHE 106 HZ PHE 106 -9.807 5.536 -3.471 824 H LYS 107 HN LYS 107 -2.917 8.918 -6.657 825 HA LYS 107 HA LYS 107 -0.868 9.901 -4.996 826 1HB LYS 107 2HB LYS 107 0.338 10.467 -6.998 827 2HB LYS 107 1HB LYS 107 -0.587 9.007 -7.334 828 1HG LYS 107 2HG LYS 107 -1.291 10.136 -9.174 829 2HG LYS 107 1HG LYS 107 -2.376 10.956 -8.054 830 1HD LYS 107 2HD LYS 107 -0.201 12.473 -7.669 831 2HD LYS 107 1HD LYS 107 0.143 11.937 -9.313 832 1HE LYS 107 2HE LYS 107 -2.608 12.642 -9.241 833 2HE LYS 107 1HE LYS 107 -1.725 13.939 -8.437 834 1HZ LYS 107 1HE LYS 107 -0.650 14.503 -10.320 835 2HZ LYS 107 2HE LYS 107 -2.000 13.790 -11.064 836 3HZ LYS 107 3HE LYS 107 -0.556 12.911 -10.896 837 H ASP 108 HN ASP 108 -3.349 11.773 -6.777 838 HA ASP 108 HA ASP 108 -2.171 14.335 -6.219 839 1HB ASP 108 2HB ASP 108 -4.053 13.639 -7.910 840 2HB ASP 108 1HB ASP 108 -5.130 13.953 -6.549 841 H ASP 109 HN ASP 109 -4.518 12.331 -4.457 842 HA ASP 109 HA ASP 109 -4.609 14.419 -2.325 843 1HB ASP 109 2HB ASP 109 -6.590 12.668 -3.460 844 2HB ASP 109 1HB ASP 109 -6.399 12.279 -1.751 845 H VAL 110 HN VAL 110 -2.507 13.833 -1.404 846 HA VAL 110 HA VAL 110 -2.559 11.183 -0.018 847 HB VAL 110 HB VAL 110 -0.056 12.741 -0.675 848 1HG1 VAL 110 1HG1 VAL 110 0.162 11.044 1.054 849 2HG1 VAL 110 2HG1 VAL 110 0.947 10.464 -0.414 850 3HG1 VAL 110 3HG1 VAL 110 -0.645 9.853 0.036 851 1HG2 VAL 110 1HG2 VAL 110 -0.021 10.692 -2.452 852 2HG2 VAL 110 2HG2 VAL 110 -0.602 12.306 -2.852 853 3HG2 VAL 110 3HG2 VAL 110 -1.751 11.037 -2.421 854 H ASP 111 HN ASP 111 -1.811 11.167 2.152 855 HA ASP 111 HA ASP 111 -1.465 13.851 3.421 856 1HB ASP 111 2HB ASP 111 -3.485 11.787 3.933 857 2HB ASP 111 1HB ASP 111 -2.598 12.244 5.388 858 H THR 112 HN THR 112 -0.802 10.383 3.487 859 HA THR 112 HA THR 112 1.707 10.953 4.981 860 HB THR 112 HB THR 112 -0.086 8.606 5.653 861 HG1 THR 112 HG1 THR 112 0.246 11.011 7.108 862 1HG2 THR 112 1HG2 THR 112 2.453 8.610 6.105 863 2HG2 THR 112 2HG2 THR 112 1.390 8.236 7.461 864 3HG2 THR 112 3HG2 THR 112 2.102 9.842 7.318 865 H LEU 113 HN LEU 113 3.388 9.419 4.488 866 HA LEU 113 HA LEU 113 2.724 7.491 2.300 867 1HB LEU 113 2HB LEU 113 5.091 9.382 2.420 868 2HB LEU 113 1HB LEU 113 4.925 8.074 1.252 869 HG LEU 113 HG LEU 113 2.718 10.092 1.560 870 1HD1 LEU 113 1HD1 LEU 113 4.807 10.521 -0.529 871 2HD1 LEU 113 2HD1 LEU 113 5.188 11.035 1.115 872 3HD1 LEU 113 3HD1 LEU 113 3.777 11.698 0.288 873 1HD2 LEU 113 1HD2 LEU 113 1.892 8.752 -0.060 874 2HD2 LEU 113 2HD2 LEU 113 3.418 7.878 -0.191 875 3HD2 LEU 113 3HD2 LEU 113 3.167 9.358 -1.117 876 H LEU 114 HN LEU 114 3.458 5.460 2.744 877 HA LEU 114 HA LEU 114 5.673 5.189 4.733 878 1HB LEU 114 2HB LEU 114 3.320 3.305 4.383 879 2HB LEU 114 1HB LEU 114 4.579 3.204 5.615 880 HG LEU 114 HG LEU 114 2.988 5.735 5.386 881 1HD1 LEU 114 1HD1 LEU 114 1.911 3.092 6.080 882 2HD1 LEU 114 2HD1 LEU 114 1.061 4.591 5.708 883 3HD1 LEU 114 3HD1 LEU 114 1.665 4.302 7.339 884 1HD2 LEU 114 1HD2 LEU 114 3.615 6.012 7.638 885 2HD2 LEU 114 2HD2 LEU 114 5.030 5.236 6.927 886 3HD2 LEU 114 3HD2 LEU 114 3.884 4.286 7.871 887 H VAL 115 HN VAL 115 7.306 4.792 3.309 888 HA VAL 115 HA VAL 115 6.906 2.550 1.360 889 HB VAL 115 HB VAL 115 7.359 4.745 0.309 890 1HG1 VAL 115 1HG1 VAL 115 8.910 6.139 1.152 891 2HG1 VAL 115 2HG1 VAL 115 10.168 4.925 0.924 892 3HG1 VAL 115 3HG1 VAL 115 9.239 4.961 2.421 893 1HG2 VAL 115 1HG2 VAL 115 9.350 3.975 -1.040 894 2HG2 VAL 115 2HG2 VAL 115 8.070 2.771 -0.887 895 3HG2 VAL 115 3HG2 VAL 115 9.528 2.638 0.097 896 H THR 116 HN THR 116 8.310 0.852 1.354 897 HA THR 116 HA THR 116 10.414 0.824 3.475 898 HB THR 116 HB THR 116 9.449 -1.641 2.045 899 HG1 THR 116 HG1 THR 116 7.787 -1.819 3.532 900 1HG2 THR 116 1HG2 THR 116 11.408 -1.572 3.669 901 2HG2 THR 116 2HG2 THR 116 10.141 -2.739 4.049 902 3HG2 THR 116 3HG2 THR 116 10.230 -1.215 4.932 903 H ARG 117 HN ARG 117 12.473 1.037 2.704 904 HA ARG 117 HA ARG 117 12.966 0.403 -0.164 905 1HB ARG 117 2HB ARG 117 14.186 2.260 1.821 906 2HB ARG 117 1HB ARG 117 15.263 1.568 0.607 907 1HG ARG 117 2HG ARG 117 13.422 2.256 -1.097 908 2HG ARG 117 1HG ARG 117 12.835 3.304 0.194 909 1HD ARG 117 2HD ARG 117 15.586 3.753 0.174 910 2HD ARG 117 1HD ARG 117 15.166 3.632 -1.533 911 HE ARG 117 HE ARG 117 14.258 5.719 0.335 912 1HH1 ARG 117 1HH2 ARG 117 13.861 4.118 -2.726 913 2HH1 ARG 117 2HH2 ARG 117 13.036 5.457 -3.446 914 1HH2 ARG 117 1HH1 ARG 117 13.176 7.442 -0.615 915 2HH2 ARG 117 2HH1 ARG 117 12.648 7.326 -2.261 916 H LEU 118 HN LEU 118 13.675 -1.649 -0.466 917 HA LEU 118 HA LEU 118 15.099 -3.097 1.649 918 1HB LEU 118 2HB LEU 118 14.280 -3.805 -1.178 919 2HB LEU 118 1HB LEU 118 15.230 -4.894 -0.168 920 HG LEU 118 HG LEU 118 13.393 -4.613 1.597 921 1HD1 LEU 118 1HD1 LEU 118 12.302 -3.057 -0.681 922 2HD1 LEU 118 2HD1 LEU 118 11.999 -2.885 1.048 923 3HD1 LEU 118 3HD1 LEU 118 11.165 -4.136 0.127 924 1HD2 LEU 118 1HD2 LEU 118 12.423 -6.538 0.813 925 2HD2 LEU 118 2HD2 LEU 118 13.741 -6.455 -0.356 926 3HD2 LEU 118 3HD2 LEU 118 12.138 -5.862 -0.791 927 H ALA 119 HN ALA 119 17.267 -3.961 1.376 928 HA ALA 119 HA ALA 119 19.062 -2.058 0.067 929 1HB ALA 119 1HB ALA 119 19.342 -3.519 2.301 930 2HB ALA 119 2HB ALA 119 20.730 -3.003 1.343 931 3HB ALA 119 3HB ALA 119 20.090 -4.636 1.158 932 H GLY 120 HN GLY 120 17.837 -5.300 -0.565 933 1HA GLY 120 2HA GLY 120 19.769 -5.913 -2.642 934 2HA GLY 120 1HA GLY 120 18.253 -6.769 -2.359 935 H SER 121 HN SER 121 19.021 -6.255 -4.966 936 HA SER 121 HA SER 121 17.117 -4.090 -5.770 937 1HB SER 121 2HB SER 121 18.509 -3.626 -7.688 938 2HB SER 121 1HB SER 121 19.548 -3.606 -6.265 939 HG SER 121 HG SER 121 19.993 -5.857 -6.778 940 H PHE 122 HN PHE 122 15.333 -5.007 -6.664 941 HA PHE 122 HA PHE 122 15.667 -7.599 -8.111 942 1HB PHE 122 2HB PHE 122 13.129 -6.449 -6.916 943 2HB PHE 122 1HB PHE 122 13.357 -8.076 -7.561 944 HD1 PHE 122 HD1 PHE 122 14.361 -9.807 -6.248 945 HD2 PHE 122 HD2 PHE 122 14.386 -5.745 -4.855 946 HE1 PHE 122 HE1 PHE 122 15.162 -10.572 -4.028 947 HE2 PHE 122 HE2 PHE 122 15.185 -6.508 -2.635 948 HZ PHE 122 HZ PHE 122 15.573 -8.923 -2.220 949 H GLU 123 HN GLU 123 14.186 -7.885 -9.993 950 HA GLU 123 HA GLU 123 13.711 -5.275 -11.383 951 1HB GLU 123 2HB GLU 123 14.120 -6.485 -13.509 952 2HB GLU 123 1HB GLU 123 15.526 -6.538 -12.446 953 1HG GLU 123 HG2 GLU 123 15.484 -8.781 -12.684 954 2HG GLU 123 HG1 GLU 123 14.023 -8.773 -11.698 955 H GLY 124 HN GLY 124 11.938 -5.425 -13.071 956 1HA GLY 124 2HA GLY 124 10.014 -7.509 -13.137 957 2HA GLY 124 1HA GLY 124 9.505 -6.352 -11.904 958 H ASP 125 HN ASP 125 7.668 -5.615 -13.181 959 HA ASP 125 HA ASP 125 8.472 -3.784 -15.374 960 1HB ASP 125 2HB ASP 125 6.645 -6.120 -15.534 961 2HB ASP 125 1HB ASP 125 6.063 -4.635 -16.287 962 H THR 126 HN THR 126 6.702 -4.427 -12.547 963 HA THR 126 HA THR 126 4.956 -2.038 -12.972 964 HB THR 126 HB THR 126 4.572 -3.833 -10.620 965 HG1 THR 126 HG1 THR 126 4.827 -5.319 -12.276 966 1HG2 THR 126 1HG2 THR 126 3.113 -1.837 -12.129 967 2HG2 THR 126 2HG2 THR 126 2.752 -2.516 -10.542 968 3HG2 THR 126 3HG2 THR 126 2.179 -3.327 -11.999 969 H LYS 127 HN LYS 127 5.706 -0.233 -11.999 970 HA LYS 127 HA LYS 127 7.298 -0.558 -9.490 971 1HB LYS 127 2HB LYS 127 7.733 1.301 -11.833 972 2HB LYS 127 1HB LYS 127 8.458 1.596 -10.251 973 1HG LYS 127 2HG LYS 127 9.144 -0.982 -10.533 974 2HG LYS 127 1HG LYS 127 9.054 -0.543 -12.239 975 1HD LYS 127 2HD LYS 127 10.437 1.577 -11.367 976 2HD LYS 127 1HD LYS 127 10.930 0.420 -10.128 977 1HE LYS 127 2HE LYS 127 11.547 -1.185 -11.953 978 2HE LYS 127 1HE LYS 127 11.197 0.082 -13.129 979 1HZ LYS 127 1HE LYS 127 12.923 0.971 -11.020 980 2HZ LYS 127 2HE LYS 127 13.119 1.086 -12.704 981 3HZ LYS 127 3HE LYS 127 13.582 -0.329 -11.887 982 H MET 128 HN MET 128 7.186 1.349 -8.059 983 HA MET 128 HA MET 128 4.498 2.181 -7.593 984 1HB MET 128 2HB MET 128 6.666 2.141 -6.052 985 2HB MET 128 1HB MET 128 6.781 3.822 -6.575 986 1HG MET 128 2HG MET 128 4.068 2.989 -5.780 987 2HG MET 128 1HG MET 128 5.247 2.952 -4.472 988 1HE MET 128 1HE MET 128 2.828 4.469 -4.399 989 2HE MET 128 2HE MET 128 3.083 6.199 -4.182 990 3HE MET 128 3HE MET 128 3.923 5.055 -3.139 991 H ILE 129 HN ILE 129 3.592 4.339 -7.781 992 HA ILE 129 HA ILE 129 4.209 5.612 -10.305 993 HB ILE 129 HB ILE 129 2.427 7.206 -9.621 994 1HG1 ILE 129 2HG1 ILE 129 1.708 5.762 -7.180 995 2HG1 ILE 129 1HG1 ILE 129 3.273 6.559 -7.041 996 1HG2 ILE 129 1HG2 ILE 129 0.646 5.398 -9.182 997 2HG2 ILE 129 2HG2 ILE 129 1.979 4.245 -9.233 998 3HG2 ILE 129 3HG2 ILE 129 1.610 5.230 -10.649 999 1HD1 ILE 129 1HD1 ILE 129 1.213 8.217 -8.333 1000 2HD1 ILE 129 2HD1 ILE 129 2.348 8.631 -7.049 1001 3HD1 ILE 129 3HD1 ILE 129 0.844 7.798 -6.660 1002 HA PRO 130 HA PRO 130 6.954 8.862 -9.075 1003 1HB PRO 130 2HB PRO 130 5.678 11.016 -10.410 1004 2HB PRO 130 1HB PRO 130 6.968 9.983 -11.039 1005 1HG PRO 130 2HG PRO 130 4.264 10.087 -11.891 1006 2HG PRO 130 1HG PRO 130 5.530 8.981 -12.442 1007 1HD PRO 130 2HD PRO 130 3.294 8.467 -10.638 1008 2HD PRO 130 1HD PRO 130 4.355 7.313 -11.460 1009 H LEU 131 HN LEU 131 6.608 9.202 -6.855 1010 HA LEU 131 HA LEU 131 4.317 10.870 -6.015 1011 1HB LEU 131 2HB LEU 131 6.280 9.088 -4.659 1012 2HB LEU 131 1HB LEU 131 5.663 10.447 -3.718 1013 HG LEU 131 HG LEU 131 3.922 8.453 -5.197 1014 1HD1 LEU 131 1HD1 LEU 131 3.359 7.657 -2.886 1015 2HD1 LEU 131 2HD1 LEU 131 4.652 8.681 -2.262 1016 3HD1 LEU 131 3HD1 LEU 131 5.034 7.341 -3.343 1017 1HD2 LEU 131 1HD2 LEU 131 2.790 10.050 -3.005 1018 2HD2 LEU 131 2HD2 LEU 131 2.156 9.762 -4.626 1019 3HD2 LEU 131 3HD2 LEU 131 3.349 11.033 -4.359 1020 H ASN 132 HN ASN 132 4.683 12.818 -4.709 1021 HA ASN 132 HA ASN 132 7.042 14.311 -5.696 1022 1HB ASN 132 2HB ASN 132 4.595 15.156 -5.771 1023 2HB ASN 132 1HB ASN 132 4.797 15.460 -4.045 1024 1HD2 ASN 132 1HD2 ASN 132 4.981 17.044 -6.929 1025 2HD2 ASN 132 2HD2 ASN 132 6.175 18.192 -6.560 1026 H TRP 133 HN TRP 133 8.309 12.836 -4.083 1027 HA TRP 133 HA TRP 133 8.145 13.057 -1.291 1028 1HB TRP 133 2HB TRP 133 10.711 13.017 -2.910 1029 2HB TRP 133 1HB TRP 133 10.522 12.507 -1.231 1030 HD1 TRP 133 HD1 TRP 133 10.026 11.355 -4.777 1031 HE1 TRP 133 HE1 TRP 133 9.166 8.925 -4.785 1032 HE3 TRP 133 HE3 TRP 133 9.031 10.756 0.194 1033 HZ2 TRP 133 HZ2 TRP 133 8.189 6.987 -2.929 1034 HZ3 TRP 133 HZ3 TRP 133 8.138 8.608 1.046 1035 HH2 TRP 133 HH2 TRP 133 7.716 6.724 -0.507 1036 H ASP 134 HN ASP 134 9.295 15.417 -3.616 1037 HA ASP 134 HA ASP 134 10.692 17.125 -1.785 1038 1HB ASP 134 2HB ASP 134 9.970 17.158 -4.551 1039 2HB ASP 134 1HB ASP 134 9.473 18.694 -3.842 1040 H ASP 135 HN ASP 135 7.271 16.738 -2.526 1041 HA ASP 135 HA ASP 135 6.571 19.198 -1.052 1042 1HB ASP 135 2HB ASP 135 5.263 17.440 -2.961 1043 2HB ASP 135 1HB ASP 135 4.234 17.719 -1.556 1044 H PHE 136 HN PHE 136 7.227 15.962 -0.324 1045 HA PHE 136 HA PHE 136 5.657 16.177 2.210 1046 1HB PHE 136 2HB PHE 136 6.530 13.709 0.677 1047 2HB PHE 136 1HB PHE 136 5.814 13.668 2.287 1048 HD1 PHE 136 HD1 PHE 136 5.181 15.048 -1.137 1049 HD2 PHE 136 HD2 PHE 136 3.486 13.531 2.502 1050 HE1 PHE 136 HE1 PHE 136 2.923 15.143 -2.153 1051 HE2 PHE 136 HE2 PHE 136 1.224 13.628 1.488 1052 HZ PHE 136 HZ PHE 136 0.945 14.434 -0.840 1053 H THR 137 HN THR 137 6.771 15.098 4.068 1054 HA THR 137 HA THR 137 9.735 15.052 3.768 1055 HB THR 137 HB THR 137 8.410 16.424 6.115 1056 HG1 THR 137 HG1 THR 137 7.907 17.757 4.495 1057 1HG2 THR 137 1HG2 THR 137 10.522 16.432 6.887 1058 2HG2 THR 137 2HG2 THR 137 11.000 17.401 5.493 1059 3HG2 THR 137 3HG2 THR 137 11.089 15.641 5.416 1060 H LYS 138 HN LYS 138 10.661 13.388 4.871 1061 HA LYS 138 HA LYS 138 8.959 11.393 6.066 1062 1HB LYS 138 2HB LYS 138 11.430 11.330 4.958 1063 2HB LYS 138 1HB LYS 138 11.866 11.334 6.669 1064 1HG LYS 138 2HG LYS 138 9.740 9.525 6.504 1065 2HG LYS 138 1HG LYS 138 10.702 9.196 5.065 1066 1HD LYS 138 2HD LYS 138 12.009 9.513 7.758 1067 2HD LYS 138 1HD LYS 138 11.338 7.961 7.253 1068 1HE LYS 138 2HE LYS 138 13.201 7.564 6.058 1069 2HE LYS 138 1HE LYS 138 12.851 8.978 5.065 1070 1HZ LYS 138 1HE LYS 138 15.049 8.920 6.325 1071 2HZ LYS 138 2HE LYS 138 14.126 9.244 7.714 1072 3HZ LYS 138 3HE LYS 138 14.130 10.342 6.418 1073 H VAL 139 HN VAL 139 8.114 11.520 8.052 1074 HA VAL 139 HA VAL 139 9.351 13.321 10.056 1075 HB VAL 139 HB VAL 139 7.227 12.961 11.307 1076 1HG1 VAL 139 1HG1 VAL 139 7.155 14.845 9.895 1077 2HG1 VAL 139 2HG1 VAL 139 5.722 13.932 9.421 1078 3HG1 VAL 139 3HG1 VAL 139 7.179 13.861 8.430 1079 1HG2 VAL 139 1HG2 VAL 139 5.653 11.785 9.236 1080 2HG2 VAL 139 2HG2 VAL 139 5.975 11.143 10.846 1081 3HG2 VAL 139 3HG2 VAL 139 7.041 10.731 9.504 1082 H SER 140 HN SER 140 8.858 9.925 9.399 1083 HA SER 140 HA SER 140 10.446 9.296 11.826 1084 1HB SER 140 2HB SER 140 7.617 8.749 11.510 1085 2HB SER 140 1HB SER 140 8.521 7.248 11.678 1086 HG SER 140 HG SER 140 9.367 7.996 13.590 1087 H SER 141 HN SER 141 11.843 7.592 11.492 1088 HA SER 141 HA SER 141 11.417 5.786 9.198 1089 1HB SER 141 2HB SER 141 14.147 6.553 9.053 1090 2HB SER 141 1HB SER 141 12.891 6.815 7.848 1091 HG SER 141 HG SER 141 13.443 8.480 10.085 1092 H ARG 142 HN ARG 142 12.170 3.743 9.686 1093 HA ARG 142 HA ARG 142 14.108 3.487 11.945 1094 1HB ARG 142 2HB ARG 142 11.656 2.952 12.535 1095 2HB ARG 142 1HB ARG 142 11.827 1.558 11.468 1096 1HG ARG 142 2HG ARG 142 13.320 0.490 12.869 1097 2HG ARG 142 1HG ARG 142 13.943 2.001 13.530 1098 1HD ARG 142 2HD ARG 142 11.092 1.521 14.106 1099 2HD ARG 142 1HD ARG 142 12.187 0.346 14.832 1100 HE ARG 142 HE ARG 142 12.878 3.198 15.193 1101 1HH1 ARG 142 1HH2 ARG 142 11.512 0.266 16.473 1102 2HH1 ARG 142 2HH2 ARG 142 11.674 0.776 18.117 1103 1HH2 ARG 142 1HH1 ARG 142 13.067 3.845 17.334 1104 2HH2 ARG 142 2HH1 ARG 142 12.545 2.789 18.603 1105 H THR 143 HN THR 143 15.831 2.138 11.413 1106 HA THR 143 HA THR 143 15.599 0.641 8.842 1107 HB THR 143 HB THR 143 18.140 1.349 10.322 1108 HG1 THR 143 HG1 THR 143 17.237 2.802 8.113 1109 1HG2 THR 143 1HG2 THR 143 17.831 1.003 7.359 1110 2HG2 THR 143 2HG2 THR 143 17.910 -0.425 8.391 1111 3HG2 THR 143 3HG2 THR 143 19.247 0.725 8.373 1112 H VAL 144 HN VAL 144 15.646 -1.568 8.925 1113 HA VAL 144 HA VAL 144 16.706 -2.821 11.421 1114 HB VAL 144 HB VAL 144 14.268 -2.948 11.458 1115 1HG1 VAL 144 1HG1 VAL 144 14.660 -3.469 8.619 1116 2HG1 VAL 144 2HG1 VAL 144 13.207 -2.955 9.471 1117 3HG1 VAL 144 3HG1 VAL 144 13.601 -4.669 9.360 1118 1HG2 VAL 144 1HG2 VAL 144 14.052 -5.299 11.794 1119 2HG2 VAL 144 2HG2 VAL 144 15.744 -4.936 12.133 1120 3HG2 VAL 144 3HG2 VAL 144 15.290 -5.661 10.590 1121 H GLU 145 HN GLU 145 18.238 -4.326 11.063 1122 HA GLU 145 HA GLU 145 18.920 -5.035 8.287 1123 1HB GLU 145 2HB GLU 145 20.914 -6.109 9.368 1124 2HB GLU 145 1HB GLU 145 20.748 -4.397 9.760 1125 1HG GLU 145 HG2 GLU 145 19.976 -4.840 11.938 1126 2HG GLU 145 HG1 GLU 145 19.529 -6.499 11.541 1127 H ASP 146 HN ASP 146 19.357 -7.319 7.724 1128 HA ASP 146 HA ASP 146 17.854 -9.298 9.362 1129 1HB ASP 146 2HB ASP 146 16.796 -8.165 7.042 1130 2HB ASP 146 1HB ASP 146 17.459 -9.705 6.494 1131 H THR 147 HN THR 147 18.479 -11.529 8.866 1132 HA THR 147 HA THR 147 21.275 -11.894 8.479 1133 HB THR 147 HB THR 147 20.600 -14.342 8.123 1134 HG1 THR 147 HG1 THR 147 18.052 -13.430 8.901 1135 1HG2 THR 147 1HG2 THR 147 19.229 -13.354 10.575 1136 2HG2 THR 147 2HG2 THR 147 20.924 -12.909 10.369 1137 3HG2 THR 147 3HG2 THR 147 20.456 -14.609 10.400 1138 H ASN 148 HN ASN 148 18.804 -11.365 6.193 1139 HA ASN 148 HA ASN 148 20.482 -12.507 4.002 1140 1HB ASN 148 2HB ASN 148 17.807 -12.839 4.403 1141 2HB ASN 148 1HB ASN 148 17.813 -11.442 3.328 1142 1HD2 ASN 148 1HD2 ASN 148 18.630 -11.722 1.150 1143 2HD2 ASN 148 2HD2 ASN 148 18.937 -13.261 0.501 1144 HA PRO 149 HA PRO 149 22.035 -8.421 3.144 1145 1HB PRO 149 2HB PRO 149 22.377 -9.161 0.374 1146 2HB PRO 149 1HB PRO 149 23.614 -8.953 1.620 1147 1HG PRO 149 2HG PRO 149 22.566 -11.396 0.514 1148 2HG PRO 149 1HG PRO 149 23.899 -11.178 1.656 1149 1HD PRO 149 2HD PRO 149 21.397 -12.295 2.238 1150 2HD PRO 149 1HD PRO 149 22.602 -11.756 3.418 1151 H ALA 150 HN ALA 150 19.893 -9.949 0.718 1152 HA ALA 150 HA ALA 150 18.964 -7.368 -0.262 1153 1HB ALA 150 1HB ALA 150 19.087 -9.685 -1.490 1154 2HB ALA 150 2HB ALA 150 17.756 -8.585 -1.848 1155 3HB ALA 150 3HB ALA 150 17.505 -9.947 -0.756 1156 H LEU 151 HN LEU 151 17.780 -9.748 2.073 1157 HA LEU 151 HA LEU 151 15.122 -8.636 2.253 1158 1HB LEU 151 2HB LEU 151 16.681 -10.332 4.221 1159 2HB LEU 151 1HB LEU 151 14.964 -9.970 4.348 1160 HG LEU 151 HG LEU 151 16.318 -11.458 2.077 1161 1HD1 LEU 151 1HD1 LEU 151 14.844 -12.241 4.524 1162 2HD1 LEU 151 2HD1 LEU 151 16.032 -13.145 3.586 1163 3HD1 LEU 151 3HD1 LEU 151 14.354 -13.076 3.049 1164 1HD2 LEU 151 1HD2 LEU 151 13.565 -11.746 1.824 1165 2HD2 LEU 151 2HD2 LEU 151 14.581 -10.697 0.837 1166 3HD2 LEU 151 3HD2 LEU 151 13.755 -10.046 2.251 1167 H THR 152 HN THR 152 18.031 -7.259 3.147 1168 HA THR 152 HA THR 152 17.275 -6.080 5.691 1169 HB THR 152 HB THR 152 19.232 -4.963 3.658 1170 HG1 THR 152 HG1 THR 152 19.854 -7.042 3.998 1171 1HG2 THR 152 1HG2 THR 152 19.974 -3.611 5.329 1172 2HG2 THR 152 2HG2 THR 152 19.770 -4.858 6.558 1173 3HG2 THR 152 3HG2 THR 152 18.382 -3.906 6.029 1174 H HIS 153 HN HIS 153 16.376 -3.903 5.995 1175 HA HIS 153 HA HIS 153 15.799 -2.259 3.674 1176 1HB HIS 153 2HB HIS 153 13.303 -2.498 3.784 1177 2HB HIS 153 1HB HIS 153 14.138 -3.929 3.186 1178 HD1 HIS 153 HD1 HIS 153 14.720 -5.742 5.237 1179 HD2 HIS 153 HD2 HIS 153 11.549 -3.098 5.822 1180 HE1 HIS 153 HE1 HIS 153 13.293 -6.732 7.080 1181 H THR 154 HN THR 154 14.181 -0.483 4.247 1182 HA THR 154 HA THR 154 14.300 0.196 7.152 1183 HB THR 154 HB THR 154 14.782 2.193 4.929 1184 HG1 THR 154 HG1 THR 154 16.962 1.948 5.376 1185 1HG2 THR 154 1HG2 THR 154 15.137 2.200 7.929 1186 2HG2 THR 154 2HG2 THR 154 14.083 3.233 6.967 1187 3HG2 THR 154 3HG2 THR 154 15.833 3.433 6.880 1188 H TYR 155 HN TYR 155 12.593 1.697 7.805 1189 HA TYR 155 HA TYR 155 10.278 1.701 5.906 1190 1HB TYR 155 2HB TYR 155 10.279 1.904 8.936 1191 2HB TYR 155 1HB TYR 155 8.851 1.857 7.906 1192 HD1 TYR 155 HD1 TYR 155 8.552 -0.201 6.372 1193 HD2 TYR 155 HD2 TYR 155 11.264 -0.090 9.701 1194 HE1 TYR 155 HE1 TYR 155 8.595 -2.681 6.420 1195 HE2 TYR 155 HE2 TYR 155 11.306 -2.569 9.749 1196 HH TYR 155 HH TYR 155 9.427 -4.456 8.846 1197 H GLU 156 HN GLU 156 9.673 3.720 5.164 1198 HA GLU 156 HA GLU 156 10.644 6.075 6.734 1199 1HB GLU 156 2HB GLU 156 10.092 6.027 3.759 1200 2HB GLU 156 1HB GLU 156 10.926 7.277 4.678 1201 1HG GLU 156 HG2 GLU 156 12.859 5.990 4.934 1202 2HG GLU 156 HG1 GLU 156 12.000 4.470 4.690 1203 H VAL 157 HN VAL 157 9.062 7.366 7.525 1204 HA VAL 157 HA VAL 157 6.328 7.146 6.323 1205 HB VAL 157 HB VAL 157 7.082 8.019 9.131 1206 1HG1 VAL 157 1HG1 VAL 157 4.502 7.307 9.283 1207 2HG1 VAL 157 2HG1 VAL 157 4.540 7.783 7.586 1208 3HG1 VAL 157 3HG1 VAL 157 4.992 8.941 8.837 1209 1HG2 VAL 157 1HG2 VAL 157 5.580 5.575 9.039 1210 2HG2 VAL 157 2HG2 VAL 157 7.199 5.838 9.687 1211 3HG2 VAL 157 3HG2 VAL 157 6.988 5.400 7.992 1212 H TRP 158 HN TRP 158 5.651 8.985 5.281 1213 HA TRP 158 HA TRP 158 7.052 11.535 5.979 1214 1HB TRP 158 2HB TRP 158 5.724 10.865 3.343 1215 2HB TRP 158 1HB TRP 158 6.737 12.260 3.698 1216 HD1 TRP 158 HD1 TRP 158 7.108 8.401 3.893 1217 HE1 TRP 158 HE1 TRP 158 9.484 7.792 3.100 1218 HE3 TRP 158 HE3 TRP 158 8.952 13.071 2.959 1219 HZ2 TRP 158 HZ2 TRP 158 11.852 9.110 2.190 1220 HZ3 TRP 158 HZ3 TRP 158 11.269 13.364 2.128 1221 HH2 TRP 158 HH2 TRP 158 12.720 11.391 1.743 1222 H GLN 159 HN GLN 159 5.724 13.508 5.542 1223 HA GLN 159 HA GLN 159 2.795 13.092 5.858 1224 1HB GLN 159 2HB GLN 159 4.651 14.536 7.734 1225 2HB GLN 159 1HB GLN 159 3.002 15.127 7.527 1226 1HG GLN 159 2HG GLN 159 2.171 12.815 8.039 1227 2HG GLN 159 1HG GLN 159 3.833 12.346 8.402 1228 1HE2 GLN 159 1HE2 GLN 159 4.170 12.364 10.624 1229 2HE2 GLN 159 2HE2 GLN 159 3.524 13.504 11.702 1230 H LYS 160 HN LYS 160 1.589 14.778 4.808 1231 HA LYS 160 HA LYS 160 3.130 16.357 2.902 1232 1HB LYS 160 2HB LYS 160 0.766 15.244 2.635 1233 2HB LYS 160 1HB LYS 160 0.190 16.730 3.393 1234 1HG LYS 160 2HG LYS 160 1.359 18.058 1.665 1235 2HG LYS 160 1HG LYS 160 1.903 16.567 0.896 1236 1HD LYS 160 2HD LYS 160 -0.522 15.897 0.675 1237 2HD LYS 160 1HD LYS 160 -0.954 17.517 1.226 1238 1HE LYS 160 2HE LYS 160 -0.184 18.532 -0.708 1239 2HE LYS 160 1HE LYS 160 0.995 17.260 -1.031 1240 1HZ LYS 160 1HE LYS 160 -1.867 16.608 -1.108 1241 2HZ LYS 160 2HE LYS 160 -0.576 15.904 -1.958 1242 3HZ LYS 160 3HE LYS 160 -1.178 17.423 -2.426 1243 H LYS 161 HN LYS 161 3.670 18.485 3.087 1244 HA LYS 161 HA LYS 161 3.118 19.846 5.630 1245 1HB LYS 161 2HB LYS 161 4.666 20.726 3.173 1246 2HB LYS 161 1HB LYS 161 4.590 21.620 4.692 1247 1HG LYS 161 2HG LYS 161 5.410 18.738 4.756 1248 2HG LYS 161 1HG LYS 161 6.584 19.945 4.231 1249 1HD LYS 161 2HD LYS 161 5.788 21.231 6.389 1250 2HD LYS 161 1HD LYS 161 5.265 19.628 6.908 1251 1HE LYS 161 2HE LYS 161 7.388 19.243 7.559 1252 2HE LYS 161 1HE LYS 161 7.837 19.236 5.855 1253 1HZ LYS 161 1HE LYS 161 7.738 21.844 6.301 1254 2HZ LYS 161 2HE LYS 161 9.148 20.923 6.525 1255 3HZ LYS 161 3HE LYS 161 8.170 21.322 7.856 1256 H ALA 162 HN ALA 162 2.249 22.074 5.642 1257 HA ALA 162 HA ALA 162 0.672 22.929 3.310 1258 1HB ALA 162 1HB ALA 162 -0.557 21.247 5.155 1259 2HB ALA 162 2HB ALA 162 -1.384 22.314 4.021 1260 3HB ALA 162 3HB ALA 162 -1.059 22.858 5.666 1261 AH51 NDP 168 AH51 NDP 168 -5.619 -1.727 -9.956 1262 AH52 NDP 168 AH52 NDP 168 -5.945 -3.200 -9.026 1263 AH4* NDP 168 AH4* NDP 168 -7.685 -3.844 -10.705 1264 AH3* NDP 168 AH3* NDP 168 -6.978 -1.200 -12.012 1265 AHO3 NDP 168 AHO3 NDP 168 -6.249 -3.154 -12.999 1266 AH2* NDP 168 AH2* NDP 168 -9.299 -0.997 -12.567 1267 AH1* NDP 168 AH1* NDP 168 -10.255 -1.832 -10.101 1268 AH8 NDP 168 AH8 NDP 168 -7.107 0.371 -10.148 1269 AH61 NDP 168 AH61 NDP 168 -11.078 5.030 -9.133 1270 AH62 NDP 168 AH62 NDP 168 -9.393 4.593 -9.308 1271 AH2 NDP 168 AH2 NDP 168 -13.465 1.290 -9.800 1272 NH51 NDP 168 NH51 NDP 168 -1.285 -4.854 -9.890 1273 NH52 NDP 168 NH52 NDP 168 -1.334 -3.935 -8.382 1274 NH4* NDP 168 NH4* NDP 168 1.123 -5.240 -9.653 1275 NH3* NDP 168 NH3* NDP 168 -0.467 -5.998 -7.189 1276 NHO3 NDP 168 NHO3 NDP 168 -0.505 -7.051 -9.451 1277 NH2* NDP 168 NH2* NDP 168 1.597 -6.802 -6.264 1278 NHO2 NDP 168 NHO2 NDP 168 2.866 -7.791 -7.613 1279 NH1* NDP 168 NH1* NDP 168 3.133 -4.647 -7.132 1280 NH2 NDP 168 NH2 NDP 168 3.516 -3.384 -5.143 1281 NH71 NDP 168 NH71 NDP 168 4.856 -2.747 -4.303 1282 NH72 NDP 168 NH72 NDP 168 5.189 -1.798 -2.873 1283 NH41 NDP 168 NH41 NDP 168 0.270 -2.417 -3.060 1284 NH42 NDP 168 NH42 NDP 168 0.810 -3.936 -2.267 1285 NH5 NDP 168 NH5 NDP 168 -1.163 -4.335 -3.725 1286 NH6 NDP 168 NH6 NDP 168 -0.341 -5.272 -5.943 1287 H1 TRR 170 H1 TRR 170 4.947 -5.260 1.699 1288 1H2 TRR 170 1H2 TRR 170 4.784 -1.876 2.783 1289 2H2 TRR 170 2H2 TRR 170 5.737 -3.296 2.794 1290 1H4 TRR 170 1H4 TRR 170 -0.023 -3.261 -0.224 1291 2H4 TRR 170 2H4 TRR 170 0.540 -1.857 0.557 1292 H6 TRR 170 H6 TRR 170 3.323 -6.506 0.416 1293 1H7 TRR 170 1H7 TRR 170 1.093 -5.278 -1.542 1294 2H7 TRR 170 2H7 TRR 170 -0.025 -5.163 -0.182 1295 H12 TRR 170 H12 TRR 170 1.661 -7.364 -2.336 1296 H16 TRR 170 H16 TRR 170 0.334 -6.942 1.747 1297 1H17 TRR 170 1H17 TRR 170 2.719 -8.533 -3.366 1298 2H17 TRR 170 2H17 TRR 170 1.282 -9.224 -4.102 1299 3H17 TRR 170 3H17 TRR 170 2.789 -10.128 -4.096 1300 1H18 TRR 170 1H18 TRR 170 2.871 -11.632 1.117 1301 2H18 TRR 170 2H18 TRR 170 2.274 -12.850 0.000 1302 3H18 TRR 170 3H18 TRR 170 3.011 -11.378 -0.617 1303 1H19 TRR 170 1H19 TRR 170 -0.574 -9.332 4.122 1304 2H19 TRR 170 2H19 TRR 170 -0.729 -7.965 3.032 1305 3H19 TRR 170 3H19 TRR 170 0.804 -8.282 3.827 Start of MODEL 17 1 1H THR 1 1H THR 1 -6.612 10.584 3.509 2 2H THR 1 2H THR 1 -5.486 11.358 2.499 3 3H THR 1 3H THR 1 -5.005 10.769 4.019 4 HA THR 1 HA THR 1 -5.814 8.504 3.083 5 HB THR 1 HB THR 1 -5.000 9.973 0.564 6 HG1 THR 1 HG1 THR 1 -7.528 9.326 1.640 7 1HG2 THR 1 1HG2 THR 1 -6.296 7.263 0.919 8 2HG2 THR 1 2HG2 THR 1 -4.552 7.490 0.788 9 3HG2 THR 1 3HG2 THR 1 -5.603 7.937 -0.556 10 H ALA 2 HN ALA 2 -4.029 7.089 3.027 11 HA ALA 2 HA ALA 2 -1.348 8.411 2.889 12 1HB ALA 2 1HB ALA 2 -1.643 5.974 4.559 13 2HB ALA 2 2HB ALA 2 -2.407 7.436 5.183 14 3HB ALA 2 3HB ALA 2 -0.677 7.421 4.841 15 H PHE 3 HN PHE 3 0.353 7.095 2.025 16 HA PHE 3 HA PHE 3 -0.639 4.840 0.335 17 1HB PHE 3 2HB PHE 3 1.586 6.836 0.062 18 2HB PHE 3 1HB PHE 3 1.747 5.264 -0.717 19 HD1 PHE 3 HD1 PHE 3 -1.387 7.230 -0.193 20 HD2 PHE 3 HD2 PHE 3 1.519 5.791 -2.992 21 HE1 PHE 3 HE1 PHE 3 -2.816 7.988 -2.069 22 HE2 PHE 3 HE2 PHE 3 0.094 6.546 -4.869 23 HZ PHE 3 HZ PHE 3 -2.074 7.642 -4.407 24 H LEU 4 HN LEU 4 0.188 2.764 0.717 25 HA LEU 4 HA LEU 4 2.541 2.574 2.550 26 1HB LEU 4 2HB LEU 4 0.542 2.181 3.893 27 2HB LEU 4 1HB LEU 4 -0.063 1.022 2.711 28 HG LEU 4 HG LEU 4 1.944 -0.402 3.143 29 1HD1 LEU 4 1HD1 LEU 4 3.505 1.284 3.920 30 2HD1 LEU 4 2HD1 LEU 4 3.247 0.128 5.228 31 3HD1 LEU 4 3HD1 LEU 4 2.447 1.699 5.269 32 1HD2 LEU 4 1HD2 LEU 4 0.221 0.347 5.525 33 2HD2 LEU 4 2HD2 LEU 4 1.222 -1.102 5.447 34 3HD2 LEU 4 3HD2 LEU 4 -0.123 -0.898 4.325 35 H TRP 5 HN TRP 5 3.873 2.017 0.717 36 HA TRP 5 HA TRP 5 3.336 -0.731 -0.331 37 1HB TRP 5 2HB TRP 5 3.845 -0.108 -2.561 38 2HB TRP 5 1HB TRP 5 2.742 1.137 -1.982 39 HD1 TRP 5 HD1 TRP 5 6.181 0.631 -3.344 40 HE1 TRP 5 HE1 TRP 5 7.430 2.887 -3.432 41 HE3 TRP 5 HE3 TRP 5 3.007 3.503 -0.562 42 HZ2 TRP 5 HZ2 TRP 5 7.119 5.558 -2.443 43 HZ3 TRP 5 HZ3 TRP 5 3.512 5.892 -0.147 44 HH2 TRP 5 HH2 TRP 5 5.560 6.921 -1.084 45 H ALA 6 HN ALA 6 5.176 -2.023 -0.525 46 HA ALA 6 HA ALA 6 7.688 -0.852 0.551 47 1HB ALA 6 1HB ALA 6 7.216 -2.818 1.744 48 2HB ALA 6 2HB ALA 6 8.310 -3.405 0.491 49 3HB ALA 6 3HB ALA 6 6.569 -3.637 0.322 50 H GLN 7 HN GLN 7 9.331 -0.416 -0.872 51 HA GLN 7 HA GLN 7 9.272 -1.832 -3.504 52 1HB GLN 7 2HB GLN 7 10.190 0.311 -4.491 53 2HB GLN 7 1HB GLN 7 8.518 0.410 -3.941 54 1HG GLN 7 2HG GLN 7 9.028 1.993 -2.423 55 2HG GLN 7 1HG GLN 7 10.363 1.037 -1.782 56 1HE2 GLN 7 1HE2 GLN 7 9.524 3.333 -4.405 57 2HE2 GLN 7 2HE2 GLN 7 11.116 3.865 -4.661 58 H ASP 8 HN ASP 8 11.395 -2.014 -4.548 59 HA ASP 8 HA ASP 8 13.487 -2.507 -2.556 60 1HB ASP 8 2HB ASP 8 14.768 -3.398 -4.509 61 2HB ASP 8 1HB ASP 8 13.185 -4.150 -4.324 62 H ARG 9 HN ARG 9 15.818 -1.911 -3.842 63 HA ARG 9 HA ARG 9 16.181 0.839 -3.274 64 1HB ARG 9 2HB ARG 9 18.372 0.597 -4.412 65 2HB ARG 9 1HB ARG 9 18.050 -0.737 -3.305 66 1HG ARG 9 2HG ARG 9 18.615 -2.032 -5.091 67 2HG ARG 9 1HG ARG 9 16.958 -1.718 -5.603 68 1HD ARG 9 2HD ARG 9 18.459 -1.213 -7.455 69 2HD ARG 9 1HD ARG 9 17.777 0.292 -6.851 70 HE ARG 9 HE ARG 9 19.910 0.868 -5.925 71 1HH1 ARG 9 1HH1 ARG 9 19.868 -2.268 -7.423 72 2HH1 ARG 9 2HH1 ARG 9 21.590 -2.402 -7.454 73 1HH2 ARG 9 1HH2 ARG 9 22.144 0.673 -5.970 74 2HH2 ARG 9 2HH2 ARG 9 22.872 -0.749 -6.637 75 H ASP 10 HN ASP 10 15.597 -0.758 -6.423 76 HA ASP 10 HA ASP 10 15.860 1.708 -7.925 77 1HB ASP 10 2HB ASP 10 15.178 -1.106 -8.475 78 2HB ASP 10 1HB ASP 10 14.350 0.052 -9.517 79 H GLY 11 HN GLY 11 13.222 0.057 -6.329 80 1HA GLY 11 2HA GLY 11 11.309 1.456 -5.587 81 2HA GLY 11 1HA GLY 11 11.442 2.334 -7.109 82 H LEU 12 HN LEU 12 11.555 -1.181 -6.657 83 HA LEU 12 HA LEU 12 9.420 -1.496 -8.669 84 1HB LEU 12 2HB LEU 12 11.461 -2.956 -8.649 85 2HB LEU 12 1HB LEU 12 10.946 -3.590 -7.088 86 HG LEU 12 HG LEU 12 8.838 -4.384 -8.115 87 1HD1 LEU 12 1HD1 LEU 12 9.128 -4.421 -10.781 88 2HD1 LEU 12 2HD1 LEU 12 10.005 -2.928 -10.440 89 3HD1 LEU 12 3HD1 LEU 12 8.321 -3.093 -9.947 90 1HD2 LEU 12 1HD2 LEU 12 9.795 -6.317 -8.939 91 2HD2 LEU 12 2HD2 LEU 12 11.214 -5.603 -8.172 92 3HD2 LEU 12 3HD2 LEU 12 10.976 -5.440 -9.912 93 H ILE 13 HN ILE 13 7.510 -2.968 -8.117 94 HA ILE 13 HA ILE 13 6.904 -2.869 -5.203 95 HB ILE 13 HB ILE 13 4.429 -2.613 -6.031 96 1HG1 ILE 13 2HG1 ILE 13 5.492 -0.866 -8.160 97 2HG1 ILE 13 1HG1 ILE 13 5.607 -2.589 -8.506 98 1HG2 ILE 13 1HG2 ILE 13 6.110 -0.975 -4.807 99 2HG2 ILE 13 2HG2 ILE 13 4.560 -0.390 -5.413 100 3HG2 ILE 13 3HG2 ILE 13 6.033 -0.110 -6.341 101 1HD1 ILE 13 1HD1 ILE 13 3.344 -2.845 -8.649 102 2HD1 ILE 13 2HD1 ILE 13 3.356 -1.105 -8.937 103 3HD1 ILE 13 3HD1 ILE 13 3.040 -1.728 -7.316 104 H GLY 14 HN GLY 14 5.339 -4.249 -8.165 105 1HA GLY 14 2HA GLY 14 5.734 -6.934 -6.931 106 2HA GLY 14 1HA GLY 14 4.102 -6.442 -7.361 107 H LYS 15 HN LYS 15 6.319 -8.443 -8.448 108 HA LYS 15 HA LYS 15 6.053 -7.631 -11.309 109 1HB LYS 15 2HB LYS 15 8.374 -7.896 -10.531 110 2HB LYS 15 1HB LYS 15 8.012 -9.533 -9.985 111 1HG LYS 15 2HG LYS 15 7.148 -9.668 -12.568 112 2HG LYS 15 1HG LYS 15 8.469 -8.521 -12.727 113 1HD LYS 15 2HD LYS 15 9.998 -10.158 -12.515 114 2HD LYS 15 1HD LYS 15 9.269 -10.697 -11.002 115 1HE LYS 15 2HE LYS 15 7.445 -11.590 -12.860 116 2HE LYS 15 1HE LYS 15 8.972 -11.790 -13.719 117 1HZ LYS 15 1HE LYS 15 9.818 -13.147 -12.023 118 2HZ LYS 15 2HE LYS 15 8.234 -13.704 -12.281 119 3HZ LYS 15 3HE LYS 15 8.586 -12.724 -10.938 120 H ASP 16 HN ASP 16 4.615 -8.785 -12.481 121 HA ASP 16 HA ASP 16 3.238 -10.528 -13.180 122 1HB ASP 16 2HB ASP 16 5.556 -11.958 -11.920 123 2HB ASP 16 1HB ASP 16 4.143 -12.883 -12.426 124 H GLY 17 HN GLY 17 2.478 -9.180 -10.752 125 1HA GLY 17 2HA GLY 17 0.641 -9.545 -9.312 126 2HA GLY 17 1HA GLY 17 0.740 -11.268 -9.660 127 H HIS 18 HN HIS 18 2.537 -12.463 -8.595 128 HA HIS 18 HA HIS 18 2.591 -11.965 -5.794 129 1HB HIS 18 2HB HIS 18 4.301 -13.766 -5.728 130 2HB HIS 18 1HB HIS 18 2.912 -14.206 -6.722 131 HD1 HIS 18 HD1 HIS 18 6.515 -13.103 -6.998 132 HD2 HIS 18 HD2 HIS 18 3.480 -14.548 -9.464 133 HE1 HIS 18 HE1 HIS 18 7.592 -13.623 -9.230 134 H LEU 19 HN LEU 19 4.136 -11.059 -4.452 135 HA LEU 19 HA LEU 19 5.715 -8.904 -5.316 136 1HB LEU 19 2HB LEU 19 5.689 -10.650 -2.896 137 2HB LEU 19 1HB LEU 19 7.121 -9.653 -3.147 138 HG LEU 19 HG LEU 19 4.351 -8.478 -3.343 139 1HD1 LEU 19 1HD1 LEU 19 4.860 -9.683 -1.099 140 2HD1 LEU 19 2HD1 LEU 19 4.316 -8.007 -1.032 141 3HD1 LEU 19 3HD1 LEU 19 6.027 -8.386 -0.837 142 1HD2 LEU 19 1HD2 LEU 19 7.158 -7.532 -3.297 143 2HD2 LEU 19 2HD2 LEU 19 6.028 -6.580 -2.335 144 3HD2 LEU 19 3HD2 LEU 19 5.741 -6.812 -4.059 145 HA PRO 20 HA PRO 20 9.189 -10.839 -7.292 146 1HB PRO 20 2HB PRO 20 10.930 -8.624 -6.802 147 2HB PRO 20 1HB PRO 20 10.005 -8.968 -8.271 148 1HG PRO 20 2HG PRO 20 9.576 -6.835 -6.525 149 2HG PRO 20 1HG PRO 20 8.456 -7.403 -7.771 150 1HD PRO 20 2HD PRO 20 8.391 -7.847 -4.835 151 2HD PRO 20 1HD PRO 20 7.058 -7.805 -6.006 152 H TRP 21 HN TRP 21 9.555 -9.415 -4.079 153 HA TRP 21 HA TRP 21 11.806 -11.313 -3.566 154 1HB TRP 21 2HB TRP 21 12.490 -9.647 -1.810 155 2HB TRP 21 1HB TRP 21 12.557 -9.001 -3.451 156 HD1 TRP 21 HD1 TRP 21 10.266 -8.985 -0.357 157 HE1 TRP 21 HE1 TRP 21 8.809 -6.860 -0.436 158 HE3 TRP 21 HE3 TRP 21 11.677 -7.117 -4.897 159 HZ2 TRP 21 HZ2 TRP 21 8.309 -4.657 -2.192 160 HZ3 TRP 21 HZ3 TRP 21 10.696 -5.005 -5.747 161 HH2 TRP 21 HH2 TRP 21 9.015 -3.774 -4.401 162 H HIS 22 HN HIS 22 11.680 -12.528 -1.656 163 HA HIS 22 HA HIS 22 9.008 -12.590 -0.368 164 1HB HIS 22 2HB HIS 22 10.301 -14.675 -1.223 165 2HB HIS 22 1HB HIS 22 11.286 -14.477 0.227 166 HD1 HIS 22 HD1 HIS 22 10.447 -16.125 1.902 167 HD2 HIS 22 HD2 HIS 22 7.313 -14.259 -0.116 168 HE1 HIS 22 HE1 HIS 22 8.308 -16.966 2.966 169 H LEU 23 HN LEU 23 9.093 -10.795 1.046 170 HA LEU 23 HA LEU 23 11.162 -10.984 3.200 171 1HB LEU 23 2HB LEU 23 11.383 -8.961 1.705 172 2HB LEU 23 1HB LEU 23 9.787 -8.452 2.257 173 HG LEU 23 HG LEU 23 10.707 -8.644 4.639 174 1HD1 LEU 23 1HD1 LEU 23 12.999 -8.866 5.000 175 2HD1 LEU 23 2HD1 LEU 23 13.409 -8.343 3.366 176 3HD1 LEU 23 3HD1 LEU 23 12.758 -9.958 3.638 177 1HD2 LEU 23 1HD2 LEU 23 10.841 -6.399 4.458 178 2HD2 LEU 23 2HD2 LEU 23 10.886 -6.566 2.703 179 3HD2 LEU 23 3HD2 LEU 23 12.389 -6.532 3.625 180 HA PRO 24 HA PRO 24 7.257 -11.821 5.398 181 1HB PRO 24 2HB PRO 24 8.803 -12.641 7.654 182 2HB PRO 24 1HB PRO 24 7.918 -13.666 6.517 183 1HG PRO 24 2HG PRO 24 10.737 -13.384 6.790 184 2HG PRO 24 1HG PRO 24 9.848 -14.372 5.623 185 1HD PRO 24 2HD PRO 24 11.281 -11.907 5.168 186 2HD PRO 24 1HD PRO 24 10.505 -12.970 3.985 187 H ASP 25 HN ASP 25 10.158 -10.198 6.655 188 HA ASP 25 HA ASP 25 8.934 -8.920 8.890 189 1HB ASP 25 2HB ASP 25 11.466 -9.033 7.967 190 2HB ASP 25 1HB ASP 25 11.026 -7.424 7.394 191 H ASP 26 HN ASP 26 8.879 -8.178 5.461 192 HA ASP 26 HA ASP 26 7.876 -5.467 5.807 193 1HB ASP 26 2HB ASP 26 9.030 -6.038 3.745 194 2HB ASP 26 1HB ASP 26 7.882 -7.334 3.415 195 H LEU 27 HN LEU 27 6.390 -8.625 5.012 196 HA LEU 27 HA LEU 27 3.731 -7.812 4.658 197 1HB LEU 27 2HB LEU 27 4.934 -10.296 5.883 198 2HB LEU 27 1HB LEU 27 3.186 -10.098 5.751 199 HG LEU 27 HG LEU 27 4.942 -9.639 3.351 200 1HD1 LEU 27 1HD1 LEU 27 3.867 -12.303 4.329 201 2HD1 LEU 27 2HD1 LEU 27 5.568 -11.855 4.192 202 3HD1 LEU 27 3HD1 LEU 27 4.580 -12.021 2.740 203 1HD2 LEU 27 1HD2 LEU 27 2.962 -9.630 2.216 204 2HD2 LEU 27 2HD2 LEU 27 2.261 -9.315 3.803 205 3HD2 LEU 27 3HD2 LEU 27 2.302 -10.960 3.169 206 H HIS 28 HN HIS 28 5.463 -8.438 7.709 207 HA HIS 28 HA HIS 28 3.225 -8.004 9.447 208 1HB HIS 28 2HB HIS 28 6.170 -7.489 9.977 209 2HB HIS 28 1HB HIS 28 4.914 -7.658 11.203 210 HD1 HIS 28 HD1 HIS 28 3.380 -10.078 10.231 211 HD2 HIS 28 HD2 HIS 28 7.543 -9.888 10.133 212 HE1 HIS 28 HE1 HIS 28 4.206 -12.472 10.177 213 H TYR 29 HN TYR 29 5.641 -5.820 8.042 214 HA TYR 29 HA TYR 29 4.881 -3.456 9.461 215 1HB TYR 29 2HB TYR 29 6.943 -3.770 8.006 216 2HB TYR 29 1HB TYR 29 5.890 -3.577 6.606 217 HD1 TYR 29 HD1 TYR 29 6.746 -1.898 9.848 218 HD2 TYR 29 HD2 TYR 29 5.483 -1.433 5.769 219 HE1 TYR 29 HE1 TYR 29 6.882 0.567 10.087 220 HE2 TYR 29 HE2 TYR 29 5.619 1.032 6.008 221 HH TYR 29 HH TYR 29 5.604 2.718 7.714 222 H PHE 30 HN PHE 30 3.590 -5.050 6.611 223 HA PHE 30 HA PHE 30 1.854 -2.898 5.790 224 1HB PHE 30 2HB PHE 30 2.512 -4.781 4.299 225 2HB PHE 30 1HB PHE 30 1.550 -5.874 5.295 226 HD1 PHE 30 HD1 PHE 30 1.148 -2.517 3.653 227 HD2 PHE 30 HD2 PHE 30 -0.590 -6.342 4.537 228 HE1 PHE 30 HE1 PHE 30 -0.892 -1.880 2.395 229 HE2 PHE 30 HE2 PHE 30 -2.629 -5.705 3.283 230 HZ PHE 30 HZ PHE 30 -2.778 -3.478 2.208 231 H ARG 31 HN ARG 31 1.255 -5.888 7.666 232 HA ARG 31 HA ARG 31 -1.500 -5.332 8.197 233 1HB ARG 31 2HB ARG 31 -0.505 -7.566 8.491 234 2HB ARG 31 1HB ARG 31 0.501 -6.954 9.801 235 1HG ARG 31 2HG ARG 31 -2.016 -6.169 10.602 236 2HG ARG 31 1HG ARG 31 -2.343 -7.715 9.820 237 1HD ARG 31 2HD ARG 31 -1.842 -8.031 12.214 238 2HD ARG 31 1HD ARG 31 -0.612 -8.791 11.209 239 HE ARG 31 HE ARG 31 -0.255 -6.226 12.695 240 1HH1 ARG 31 1HH2 ARG 31 1.020 -8.942 10.926 241 2HH1 ARG 31 2HH2 ARG 31 2.659 -8.581 11.340 242 1HH2 ARG 31 1HH1 ARG 31 1.881 -5.776 13.207 243 2HH2 ARG 31 2HH1 ARG 31 3.145 -6.803 12.619 244 H ALA 32 HN ALA 32 1.475 -4.560 9.996 245 HA ALA 32 HA ALA 32 0.132 -3.421 12.266 246 1HB ALA 32 1HB ALA 32 2.304 -3.837 12.839 247 2HB ALA 32 2HB ALA 32 2.529 -2.172 12.301 248 3HB ALA 32 3HB ALA 32 2.903 -3.509 11.213 249 H GLN 33 HN GLN 33 1.444 -1.987 9.278 250 HA GLN 33 HA GLN 33 0.935 0.734 10.046 251 1HB GLN 33 2HB GLN 33 1.346 -0.598 7.366 252 2HB GLN 33 1HB GLN 33 1.132 1.145 7.541 253 1HG GLN 33 2HG GLN 33 3.129 -0.121 9.342 254 2HG GLN 33 1HG GLN 33 3.556 -0.044 7.633 255 1HE2 GLN 33 1HE2 GLN 33 2.352 2.063 10.299 256 2HE2 GLN 33 2HE2 GLN 33 3.092 3.473 9.716 257 H THR 34 HN THR 34 -1.225 -1.740 9.035 258 HA THR 34 HA THR 34 -3.274 0.358 8.410 259 HB THR 34 HB THR 34 -4.445 -1.493 7.134 260 HG1 THR 34 HG1 THR 34 -1.906 -2.728 7.341 261 1HG2 THR 34 1HG2 THR 34 -1.666 -0.904 6.102 262 2HG2 THR 34 2HG2 THR 34 -2.940 0.315 6.145 263 3HG2 THR 34 3HG2 THR 34 -3.142 -1.138 5.166 264 H VAL 35 HN VAL 35 -2.541 -0.821 11.065 265 HA VAL 35 HA VAL 35 -4.737 -2.604 11.778 266 HB VAL 35 HB VAL 35 -3.921 -2.257 14.102 267 1HG1 VAL 35 1HG1 VAL 35 -1.468 -2.611 12.430 268 2HG1 VAL 35 2HG1 VAL 35 -2.800 -3.744 12.212 269 3HG1 VAL 35 3HG1 VAL 35 -2.037 -3.572 13.793 270 1HG2 VAL 35 1HG2 VAL 35 -1.507 -0.881 13.682 271 2HG2 VAL 35 2HG2 VAL 35 -2.917 -0.281 14.552 272 3HG2 VAL 35 3HG2 VAL 35 -2.723 0.078 12.836 273 H GLY 36 HN GLY 36 -6.794 -1.819 11.853 274 1HA GLY 36 2HA GLY 36 -8.570 -0.532 12.727 275 2HA GLY 36 1HA GLY 36 -7.389 0.462 13.575 276 H LYS 37 HN LYS 37 -6.715 0.108 10.224 277 HA LYS 37 HA LYS 37 -7.983 2.771 9.713 278 1HB LYS 37 2HB LYS 37 -5.297 1.713 8.798 279 2HB LYS 37 1HB LYS 37 -6.041 3.180 8.164 280 1HG LYS 37 2HG LYS 37 -6.154 4.087 10.484 281 2HG LYS 37 1HG LYS 37 -5.297 2.655 11.054 282 1HD LYS 37 2HD LYS 37 -3.468 3.998 10.722 283 2HD LYS 37 1HD LYS 37 -3.627 3.396 9.071 284 1HE LYS 37 2HE LYS 37 -4.617 5.370 8.304 285 2HE LYS 37 1HE LYS 37 -5.157 5.842 9.914 286 1HZ LYS 37 1HE LYS 37 -2.305 5.584 9.716 287 2HZ LYS 37 2HE LYS 37 -3.239 6.864 10.326 288 3HZ LYS 37 3HE LYS 37 -2.929 6.755 8.660 289 H ILE 38 HN ILE 38 -8.413 3.169 7.349 290 HA ILE 38 HA ILE 38 -9.699 0.824 6.168 291 HB ILE 38 HB ILE 38 -9.326 3.568 4.933 292 1HG1 ILE 38 2HG1 ILE 38 -11.623 2.584 6.659 293 2HG1 ILE 38 1HG1 ILE 38 -10.349 3.662 7.232 294 1HG2 ILE 38 1HG2 ILE 38 -10.150 2.088 3.289 295 2HG2 ILE 38 2HG2 ILE 38 -11.608 2.837 3.941 296 3HG2 ILE 38 3HG2 ILE 38 -11.146 1.214 4.453 297 1HD1 ILE 38 1HD1 ILE 38 -12.366 4.207 5.039 298 2HD1 ILE 38 2HD1 ILE 38 -10.960 5.226 5.330 299 3HD1 ILE 38 3HD1 ILE 38 -12.199 5.060 6.575 300 H MET 39 HN MET 39 -8.702 -0.569 4.776 301 HA MET 39 HA MET 39 -6.119 0.293 3.552 302 1HB MET 39 2HB MET 39 -6.093 -1.738 4.992 303 2HB MET 39 1HB MET 39 -7.248 -2.499 3.899 304 1HG MET 39 2HG MET 39 -5.430 -1.812 2.075 305 2HG MET 39 1HG MET 39 -4.354 -1.882 3.471 306 1HE MET 39 1HE MET 39 -6.778 -4.898 1.305 307 2HE MET 39 2HE MET 39 -7.229 -3.270 1.804 308 3HE MET 39 3HE MET 39 -7.590 -4.636 2.854 309 H VAL 40 HN VAL 40 -6.372 1.009 1.486 310 HA VAL 40 HA VAL 40 -8.591 -0.032 -0.164 311 HB VAL 40 HB VAL 40 -6.548 2.117 -0.789 312 1HG1 VAL 40 1HG1 VAL 40 -8.504 0.799 -2.377 313 2HG1 VAL 40 2HG1 VAL 40 -7.531 2.204 -2.808 314 3HG1 VAL 40 3HG1 VAL 40 -9.109 2.422 -2.050 315 1HG2 VAL 40 1HG2 VAL 40 -8.913 3.401 -0.320 316 2HG2 VAL 40 2HG2 VAL 40 -7.652 3.194 0.896 317 3HG2 VAL 40 3HG2 VAL 40 -9.019 2.081 0.845 318 H VAL 41 HN VAL 41 -8.246 -1.772 -1.426 319 HA VAL 41 HA VAL 41 -5.572 -2.098 -2.728 320 HB VAL 41 HB VAL 41 -6.100 -4.619 -2.588 321 1HG1 VAL 41 1HG1 VAL 41 -4.463 -3.176 -1.165 322 2HG1 VAL 41 2HG1 VAL 41 -4.876 -4.793 -0.599 323 3HG1 VAL 41 3HG1 VAL 41 -5.654 -3.384 0.119 324 1HG2 VAL 41 1HG2 VAL 41 -8.512 -3.884 -1.720 325 2HG2 VAL 41 2HG2 VAL 41 -7.698 -3.923 -0.157 326 3HG2 VAL 41 3HG2 VAL 41 -7.755 -5.373 -1.157 327 H GLY 42 HN GLY 42 -5.755 -2.184 -4.925 328 1HA GLY 42 2HA GLY 42 -8.295 -2.029 -6.238 329 2HA GLY 42 1HA GLY 42 -6.751 -2.289 -7.039 330 H ARG 43 HN ARG 43 -9.223 -3.562 -7.734 331 HA ARG 43 HA ARG 43 -9.717 -6.115 -6.753 332 1HB ARG 43 2HB ARG 43 -10.972 -4.921 -8.581 333 2HB ARG 43 1HB ARG 43 -9.689 -5.395 -9.693 334 1HG ARG 43 2HG ARG 43 -10.545 -7.696 -8.176 335 2HG ARG 43 1HG ARG 43 -11.946 -6.924 -8.919 336 1HD ARG 43 2HD ARG 43 -9.405 -7.680 -10.395 337 2HD ARG 43 1HD ARG 43 -10.897 -8.619 -10.412 338 HE ARG 43 HE ARG 43 -11.325 -5.857 -11.220 339 1HH1 ARG 43 1HH2 ARG 43 -10.292 -9.015 -12.235 340 2HH1 ARG 43 2HH2 ARG 43 -10.695 -8.741 -13.895 341 1HH2 ARG 43 1HH1 ARG 43 -11.838 -5.517 -13.385 342 2HH2 ARG 43 2HH1 ARG 43 -11.567 -6.774 -14.543 343 H ARG 44 HN ARG 44 -6.877 -5.111 -8.574 344 HA ARG 44 HA ARG 44 -6.184 -7.807 -9.417 345 1HB ARG 44 2HB ARG 44 -5.023 -5.104 -9.608 346 2HB ARG 44 1HB ARG 44 -3.829 -6.396 -9.483 347 1HG ARG 44 2HG ARG 44 -5.859 -7.263 -11.297 348 2HG ARG 44 1HG ARG 44 -5.387 -5.629 -11.762 349 1HD ARG 44 2HD ARG 44 -2.987 -6.360 -11.659 350 2HD ARG 44 1HD ARG 44 -3.547 -8.008 -11.385 351 HE ARG 44 HE ARG 44 -3.679 -6.533 -13.922 352 1HH1 ARG 44 1HH1 ARG 44 -4.827 -9.199 -12.007 353 2HH1 ARG 44 2HH1 ARG 44 -5.351 -10.108 -13.382 354 1HH2 ARG 44 1HH2 ARG 44 -4.373 -7.725 -15.694 355 2HH2 ARG 44 2HH2 ARG 44 -5.098 -9.280 -15.457 356 H THR 45 HN THR 45 -5.019 -5.628 -6.824 357 HA THR 45 HA THR 45 -3.193 -7.597 -5.750 358 HB THR 45 HB THR 45 -4.431 -5.169 -4.418 359 HG1 THR 45 HG1 THR 45 -3.129 -4.848 -6.344 360 1HG2 THR 45 1HG2 THR 45 -2.220 -5.420 -3.066 361 2HG2 THR 45 2HG2 THR 45 -2.243 -7.087 -3.642 362 3HG2 THR 45 3HG2 THR 45 -3.575 -6.471 -2.669 363 H TYR 46 HN TYR 46 -6.429 -6.467 -4.666 364 HA TYR 46 HA TYR 46 -6.747 -8.195 -2.471 365 1HB TYR 46 2HB TYR 46 -8.340 -6.382 -3.150 366 2HB TYR 46 1HB TYR 46 -8.906 -7.423 -4.456 367 HD1 TYR 46 HD1 TYR 46 -10.274 -9.377 -4.013 368 HD2 TYR 46 HD2 TYR 46 -8.762 -6.974 -0.792 369 HE1 TYR 46 HE1 TYR 46 -11.824 -10.507 -2.441 370 HE2 TYR 46 HE2 TYR 46 -10.308 -8.106 0.779 371 HH TYR 46 HH TYR 46 -12.011 -10.949 -0.048 372 H GLU 47 HN GLU 47 -7.047 -8.865 -5.917 373 HA GLU 47 HA GLU 47 -8.176 -11.528 -5.523 374 1HB GLU 47 2HB GLU 47 -7.206 -9.910 -7.840 375 2HB GLU 47 1HB GLU 47 -7.261 -11.662 -8.033 376 1HG GLU 47 HG2 GLU 47 -9.683 -10.794 -6.748 377 2HG GLU 47 HG1 GLU 47 -9.428 -9.826 -8.200 378 H SER 48 HN SER 48 -5.015 -10.135 -5.476 379 HA SER 48 HA SER 48 -3.743 -12.805 -5.819 380 1HB SER 48 2HB SER 48 -2.935 -10.082 -6.377 381 2HB SER 48 1HB SER 48 -1.753 -10.871 -5.337 382 HG SER 48 HG SER 48 -2.162 -11.207 -7.942 383 H PHE 49 HN PHE 49 -4.714 -10.591 -3.365 384 HA PHE 49 HA PHE 49 -2.812 -10.928 -1.335 385 1HB PHE 49 2HB PHE 49 -5.623 -10.197 -1.488 386 2HB PHE 49 1HB PHE 49 -5.288 -11.127 -0.031 387 HD1 PHE 49 HD1 PHE 49 -3.778 -10.291 1.688 388 HD2 PHE 49 HD2 PHE 49 -4.537 -8.032 -1.878 389 HE1 PHE 49 HE1 PHE 49 -2.729 -8.309 2.727 390 HE2 PHE 49 HE2 PHE 49 -3.483 -6.044 -0.833 391 HZ PHE 49 HZ PHE 49 -2.578 -6.187 1.459 392 HA PRO 50 HA PRO 50 -3.091 -15.215 -0.131 393 1HB PRO 50 2HB PRO 50 -2.089 -14.849 2.460 394 2HB PRO 50 1HB PRO 50 -1.122 -15.070 0.995 395 1HG PRO 50 2HG PRO 50 -1.318 -12.736 2.609 396 2HG PRO 50 1HG PRO 50 -0.426 -12.933 1.093 397 1HD PRO 50 2HD PRO 50 -3.044 -11.673 1.570 398 2HD PRO 50 1HD PRO 50 -1.911 -11.431 0.231 399 H LYS 51 HN LYS 51 -3.997 -13.081 2.631 400 HA LYS 51 HA LYS 51 -6.356 -14.878 3.056 401 1HB LYS 51 2HB LYS 51 -4.194 -14.231 4.842 402 2HB LYS 51 1HB LYS 51 -5.695 -13.585 5.501 403 1HG LYS 51 2HG LYS 51 -6.303 -15.650 6.149 404 2HG LYS 51 1HG LYS 51 -6.250 -16.194 4.473 405 1HD LYS 51 2HD LYS 51 -4.691 -17.601 5.527 406 2HD LYS 51 1HD LYS 51 -3.675 -16.332 4.841 407 1HE LYS 51 2HE LYS 51 -2.894 -16.503 7.056 408 2HE LYS 51 1HE LYS 51 -4.007 -15.137 7.125 409 1HZ LYS 51 1HE LYS 51 -4.737 -16.377 8.878 410 2HZ LYS 51 2HE LYS 51 -4.338 -17.862 8.156 411 3HZ LYS 51 3HE LYS 51 -5.720 -17.013 7.651 412 H ARG 52 HN ARG 52 -7.959 -13.591 2.148 413 HA ARG 52 HA ARG 52 -8.168 -10.789 3.170 414 1HB ARG 52 2HB ARG 52 -9.583 -11.948 0.756 415 2HB ARG 52 1HB ARG 52 -9.424 -10.247 1.194 416 1HG ARG 52 2HG ARG 52 -7.540 -10.149 -0.028 417 2HG ARG 52 1HG ARG 52 -6.794 -11.286 1.095 418 1HD ARG 52 2HD ARG 52 -6.720 -12.083 -1.273 419 2HD ARG 52 1HD ARG 52 -7.608 -13.178 -0.213 420 HE ARG 52 HE ARG 52 -9.490 -11.376 -1.300 421 1HH1 ARG 52 1HH1 ARG 52 -7.277 -13.833 -2.347 422 2HH1 ARG 52 2HH1 ARG 52 -8.236 -14.284 -3.715 423 1HH2 ARG 52 1HH2 ARG 52 -10.736 -11.975 -3.083 424 2HH2 ARG 52 2HH2 ARG 52 -10.183 -13.239 -4.130 425 HA PRO 53 HA PRO 53 -9.272 -9.340 3.740 426 1HB PRO 53 2HB PRO 53 -10.690 -8.292 5.871 427 2HB PRO 53 1HB PRO 53 -11.192 -8.178 4.177 428 1HG PRO 53 2HG PRO 53 -12.434 -9.658 6.308 429 2HG PRO 53 1HG PRO 53 -12.972 -9.479 4.631 430 1HD PRO 53 2HD PRO 53 -11.556 -11.726 5.893 431 2HD PRO 53 1HD PRO 53 -12.458 -11.680 4.367 432 H LEU 54 HN LEU 54 -8.302 -8.054 5.721 433 HA LEU 54 HA LEU 54 -6.833 -10.024 7.360 434 1HB LEU 54 2HB LEU 54 -6.496 -7.040 6.969 435 2HB LEU 54 1HB LEU 54 -5.489 -8.004 8.048 436 HG LEU 54 HG LEU 54 -5.828 -8.972 5.245 437 1HD1 LEU 54 1HD1 LEU 54 -3.589 -7.090 5.633 438 2HD1 LEU 54 2HD1 LEU 54 -5.178 -6.327 5.606 439 3HD1 LEU 54 3HD1 LEU 54 -4.648 -7.308 4.238 440 1HD2 LEU 54 1HD2 LEU 54 -3.243 -8.767 6.739 441 2HD2 LEU 54 2HD2 LEU 54 -3.823 -10.050 5.678 442 3HD2 LEU 54 3HD2 LEU 54 -4.443 -9.918 7.324 443 HA PRO 55 HA PRO 55 -9.717 -9.597 10.771 444 1HB PRO 55 2HB PRO 55 -7.613 -10.534 12.522 445 2HB PRO 55 1HB PRO 55 -9.081 -11.375 12.010 446 1HG PRO 55 2HG PRO 55 -6.388 -11.809 11.137 447 2HG PRO 55 1HG PRO 55 -7.851 -12.684 10.668 448 1HD PRO 55 2HD PRO 55 -6.337 -10.945 9.045 449 2HD PRO 55 1HD PRO 55 -7.926 -11.628 8.672 450 H GLU 56 HN GLU 56 -9.873 -8.254 12.663 451 HA GLU 56 HA GLU 56 -9.502 -6.239 13.808 452 1HB GLU 56 2HB GLU 56 -6.999 -7.811 13.900 453 2HB GLU 56 1HB GLU 56 -6.823 -6.100 14.291 454 1HG GLU 56 HG2 GLU 56 -8.034 -6.277 16.219 455 2HG GLU 56 HG1 GLU 56 -9.147 -7.461 15.531 456 H ARG 57 HN ARG 57 -9.096 -6.283 10.747 457 HA ARG 57 HA ARG 57 -7.880 -3.577 10.635 458 1HB ARG 57 2HB ARG 57 -6.951 -6.002 9.110 459 2HB ARG 57 1HB ARG 57 -6.751 -4.389 8.431 460 1HG ARG 57 2HG ARG 57 -4.944 -4.045 9.722 461 2HG ARG 57 1HG ARG 57 -5.907 -4.327 11.172 462 1HD ARG 57 2HD ARG 57 -5.553 -6.882 10.166 463 2HD ARG 57 1HD ARG 57 -4.007 -6.107 9.823 464 HE ARG 57 HE ARG 57 -4.464 -5.391 12.430 465 1HH1 ARG 57 1HH2 ARG 57 -4.530 -8.403 10.703 466 2HH1 ARG 57 2HH2 ARG 57 -4.064 -9.338 12.081 467 1HH2 ARG 57 1HH1 ARG 57 -3.849 -6.618 14.213 468 2HH2 ARG 57 2HH1 ARG 57 -3.679 -8.335 14.057 469 H THR 58 HN THR 58 -8.738 -2.292 8.959 470 HA THR 58 HA THR 58 -11.253 -3.316 7.792 471 HB THR 58 HB THR 58 -10.073 -0.550 7.465 472 HG1 THR 58 HG1 THR 58 -10.208 -0.901 9.645 473 1HG2 THR 58 1HG2 THR 58 -11.903 -0.453 6.124 474 2HG2 THR 58 2HG2 THR 58 -12.795 -0.333 7.641 475 3HG2 THR 58 3HG2 THR 58 -12.620 -1.896 6.843 476 H ASN 59 HN ASN 59 -11.347 -4.045 5.720 477 HA ASN 59 HA ASN 59 -9.096 -3.316 3.884 478 1HB ASN 59 2HB ASN 59 -10.670 -5.904 4.055 479 2HB ASN 59 1HB ASN 59 -9.460 -5.543 2.825 480 1HD2 ASN 59 1HD2 ASN 59 -9.698 -5.443 6.441 481 2HD2 ASN 59 2HD2 ASN 59 -8.143 -6.070 6.695 482 H VAL 60 HN VAL 60 -9.753 -2.253 2.045 483 HA VAL 60 HA VAL 60 -12.615 -2.557 1.234 484 HB VAL 60 HB VAL 60 -10.887 -0.101 0.824 485 1HG1 VAL 60 1HG1 VAL 60 -13.304 -0.916 -0.323 486 2HG1 VAL 60 2HG1 VAL 60 -12.644 0.719 -0.327 487 3HG1 VAL 60 3HG1 VAL 60 -13.779 0.230 0.931 488 1HG2 VAL 60 1HG2 VAL 60 -12.363 0.860 2.672 489 2HG2 VAL 60 2HG2 VAL 60 -11.147 -0.304 3.198 490 3HG2 VAL 60 3HG2 VAL 60 -12.831 -0.799 3.039 491 H VAL 61 HN VAL 61 -12.924 -3.121 -0.913 492 HA VAL 61 HA VAL 61 -10.465 -3.452 -2.559 493 HB VAL 61 HB VAL 61 -13.187 -4.577 -3.215 494 1HG1 VAL 61 1HG1 VAL 61 -12.005 -6.058 -4.582 495 2HG1 VAL 61 2HG1 VAL 61 -10.512 -5.871 -3.663 496 3HG1 VAL 61 3HG1 VAL 61 -11.052 -4.582 -4.738 497 1HG2 VAL 61 1HG2 VAL 61 -13.034 -5.544 -1.124 498 2HG2 VAL 61 2HG2 VAL 61 -11.276 -5.411 -1.074 499 3HG2 VAL 61 3HG2 VAL 61 -12.038 -6.682 -2.031 500 H LEU 62 HN LEU 62 -10.426 -2.672 -4.722 501 HA LEU 62 HA LEU 62 -12.578 -0.700 -5.387 502 1HB LEU 62 2HB LEU 62 -9.711 -0.337 -5.154 503 2HB LEU 62 1HB LEU 62 -10.237 0.013 -6.801 504 HG LEU 62 HG LEU 62 -12.182 1.316 -5.534 505 1HD1 LEU 62 1HD1 LEU 62 -9.934 1.811 -3.624 506 2HD1 LEU 62 2HD1 LEU 62 -11.018 0.454 -3.330 507 3HD1 LEU 62 3HD1 LEU 62 -11.654 2.098 -3.403 508 1HD2 LEU 62 1HD2 LEU 62 -10.587 2.361 -7.078 509 2HD2 LEU 62 2HD2 LEU 62 -9.340 2.343 -5.836 510 3HD2 LEU 62 3HD2 LEU 62 -10.763 3.364 -5.641 511 H THR 63 HN THR 63 -13.628 -1.188 -7.240 512 HA THR 63 HA THR 63 -12.178 -2.613 -9.403 513 HB THR 63 HB THR 63 -13.182 -4.438 -8.165 514 HG1 THR 63 HG1 THR 63 -13.391 -4.598 -10.393 515 1HG2 THR 63 1HG2 THR 63 -14.915 -2.778 -7.119 516 2HG2 THR 63 2HG2 THR 63 -15.380 -4.460 -7.364 517 3HG2 THR 63 3HG2 THR 63 -15.910 -3.224 -8.504 518 H HIS 64 HN HIS 64 -13.324 -2.486 -11.466 519 HA HIS 64 HA HIS 64 -14.887 0.017 -11.662 520 1HB HIS 64 2HB HIS 64 -13.250 -1.643 -13.500 521 2HB HIS 64 1HB HIS 64 -14.627 -0.815 -14.227 522 HD1 HIS 64 HD1 HIS 64 -14.763 1.868 -13.414 523 HD2 HIS 64 HD2 HIS 64 -11.039 -0.004 -13.351 524 HE1 HIS 64 HE1 HIS 64 -13.032 3.717 -13.391 525 H GLN 65 HN GLN 65 -15.615 -3.215 -11.238 526 HA GLN 65 HA GLN 65 -17.911 -3.311 -13.071 527 1HB GLN 65 2HB GLN 65 -16.798 -5.175 -10.976 528 2HB GLN 65 1HB GLN 65 -18.381 -5.458 -11.698 529 1HG GLN 65 2HG GLN 65 -17.264 -6.534 -13.344 530 2HG GLN 65 1HG GLN 65 -16.789 -4.929 -13.901 531 1HE2 GLN 65 1HE2 GLN 65 -14.689 -4.060 -12.943 532 2HE2 GLN 65 2HE2 GLN 65 -13.475 -5.171 -12.535 533 H GLU 66 HN GLU 66 -20.087 -3.948 -12.022 534 HA GLU 66 HA GLU 66 -20.535 -2.199 -9.639 535 1HB GLU 66 2HB GLU 66 -22.840 -1.884 -10.487 536 2HB GLU 66 1HB GLU 66 -21.641 -1.332 -11.656 537 1HG GLU 66 HG2 GLU 66 -21.900 -3.924 -12.428 538 2HG GLU 66 HG1 GLU 66 -23.524 -3.617 -11.816 539 H ASP 67 HN ASP 67 -20.516 -5.397 -10.717 540 HA ASP 67 HA ASP 67 -22.479 -6.203 -8.613 541 1HB ASP 67 2HB ASP 67 -21.999 -7.124 -11.324 542 2HB ASP 67 1HB ASP 67 -21.845 -8.454 -10.176 543 H TYR 68 HN TYR 68 -19.456 -5.551 -8.457 544 HA TYR 68 HA TYR 68 -18.021 -7.967 -7.964 545 1HB TYR 68 2HB TYR 68 -17.176 -5.494 -8.085 546 2HB TYR 68 1HB TYR 68 -17.537 -5.465 -6.359 547 HD1 TYR 68 HD1 TYR 68 -15.688 -7.415 -8.960 548 HD2 TYR 68 HD2 TYR 68 -16.021 -6.382 -4.803 549 HE1 TYR 68 HE1 TYR 68 -13.563 -8.605 -8.494 550 HE2 TYR 68 HE2 TYR 68 -13.895 -7.572 -4.338 551 HH TYR 68 HH TYR 68 -12.592 -9.769 -6.118 552 H GLN 69 HN GLN 69 -18.446 -9.484 -6.433 553 HA GLN 69 HA GLN 69 -19.980 -8.645 -4.012 554 1HB GLN 69 2HB GLN 69 -19.540 -11.451 -5.070 555 2HB GLN 69 1HB GLN 69 -20.663 -10.960 -3.801 556 1HG GLN 69 2HG GLN 69 -20.986 -9.509 -6.352 557 2HG GLN 69 1HG GLN 69 -21.348 -11.231 -6.438 558 1HE2 GLN 69 1HE2 GLN 69 -23.123 -8.663 -6.325 559 2HE2 GLN 69 2HE2 GLN 69 -24.259 -9.032 -5.119 560 H ALA 70 HN ALA 70 -18.677 -8.293 -2.280 561 HA ALA 70 HA ALA 70 -16.525 -10.282 -1.735 562 1HB ALA 70 1HB ALA 70 -15.770 -7.959 -2.758 563 2HB ALA 70 2HB ALA 70 -14.869 -8.680 -1.423 564 3HB ALA 70 3HB ALA 70 -16.031 -7.392 -1.108 565 H GLN 71 HN GLN 71 -17.945 -11.160 -0.118 566 HA GLN 71 HA GLN 71 -19.046 -9.468 1.980 567 1HB GLN 71 2HB GLN 71 -18.712 -12.477 1.782 568 2HB GLN 71 1HB GLN 71 -19.582 -11.655 3.078 569 1HG GLN 71 2HG GLN 71 -20.949 -10.534 1.196 570 2HG GLN 71 1HG GLN 71 -20.279 -11.783 0.146 571 1HE2 GLN 71 1HE2 GLN 71 -22.908 -11.124 2.130 572 2HE2 GLN 71 2HE2 GLN 71 -23.395 -12.716 2.460 573 H GLY 72 HN GLY 72 -17.948 -8.732 3.724 574 1HA GLY 72 2HA GLY 72 -16.504 -9.215 5.666 575 2HA GLY 72 1HA GLY 72 -15.529 -10.245 4.613 576 H ALA 73 HN ALA 73 -15.447 -8.455 2.365 577 HA ALA 73 HA ALA 73 -13.663 -6.346 3.500 578 1HB ALA 73 1HB ALA 73 -12.394 -7.824 2.108 579 2HB ALA 73 2HB ALA 73 -12.666 -6.366 1.154 580 3HB ALA 73 3HB ALA 73 -13.632 -7.810 0.852 581 H VAL 74 HN VAL 74 -14.031 -4.244 2.951 582 HA VAL 74 HA VAL 74 -16.624 -3.449 1.997 583 HB VAL 74 HB VAL 74 -14.117 -1.753 2.060 584 1HG1 VAL 74 1HG1 VAL 74 -15.675 -0.413 1.011 585 2HG1 VAL 74 2HG1 VAL 74 -16.102 -0.082 2.690 586 3HG1 VAL 74 3HG1 VAL 74 -17.042 -1.244 1.753 587 1HG2 VAL 74 1HG2 VAL 74 -16.183 -2.171 4.241 588 2HG2 VAL 74 2HG2 VAL 74 -14.728 -1.179 4.342 589 3HG2 VAL 74 3HG2 VAL 74 -14.592 -2.932 4.229 590 H VAL 75 HN VAL 75 -17.275 -2.675 -0.042 591 HA VAL 75 HA VAL 75 -15.273 -3.008 -2.245 592 HB VAL 75 HB VAL 75 -18.238 -3.616 -2.406 593 1HG1 VAL 75 1HG1 VAL 75 -15.974 -4.314 -4.296 594 2HG1 VAL 75 2HG1 VAL 75 -17.033 -2.920 -4.510 595 3HG1 VAL 75 3HG1 VAL 75 -17.700 -4.551 -4.570 596 1HG2 VAL 75 1HG2 VAL 75 -16.610 -5.932 -2.769 597 2HG2 VAL 75 2HG2 VAL 75 -17.782 -5.623 -1.489 598 3HG2 VAL 75 3HG2 VAL 75 -16.097 -5.156 -1.272 599 H VAL 76 HN VAL 76 -15.058 -1.242 -3.541 600 HA VAL 76 HA VAL 76 -17.299 0.723 -3.668 601 HB VAL 76 HB VAL 76 -15.662 2.576 -3.494 602 1HG1 VAL 76 1HG1 VAL 76 -15.363 0.697 -1.139 603 2HG1 VAL 76 2HG1 VAL 76 -16.845 1.594 -1.472 604 3HG1 VAL 76 3HG1 VAL 76 -15.351 2.461 -1.117 605 1HG2 VAL 76 1HG2 VAL 76 -13.441 1.340 -2.306 606 2HG2 VAL 76 2HG2 VAL 76 -13.503 2.071 -3.909 607 3HG2 VAL 76 3HG2 VAL 76 -13.805 0.346 -3.716 608 H HIS 77 HN HIS 77 -17.319 1.946 -5.671 609 HA HIS 77 HA HIS 77 -15.466 0.874 -7.763 610 1HB HIS 77 2HB HIS 77 -18.347 1.671 -8.243 611 2HB HIS 77 1HB HIS 77 -17.264 0.826 -9.349 612 HD1 HIS 77 HD1 HIS 77 -16.148 -1.392 -7.703 613 HD2 HIS 77 HD2 HIS 77 -20.142 -0.253 -7.396 614 HE1 HIS 77 HE1 HIS 77 -17.389 -3.388 -6.756 615 H ASP 78 HN ASP 78 -15.430 3.402 -6.096 616 HA ASP 78 HA ASP 78 -14.751 5.203 -8.242 617 1HB ASP 78 2HB ASP 78 -17.466 5.155 -7.691 618 2HB ASP 78 1HB ASP 78 -16.892 6.520 -6.732 619 H VAL 79 HN VAL 79 -12.951 6.032 -7.304 620 HA VAL 79 HA VAL 79 -12.164 6.128 -4.680 621 HB VAL 79 HB VAL 79 -11.754 8.328 -6.727 622 1HG1 VAL 79 1HG1 VAL 79 -11.083 9.262 -4.668 623 2HG1 VAL 79 2HG1 VAL 79 -9.589 8.591 -5.322 624 3HG1 VAL 79 3HG1 VAL 79 -10.473 7.721 -4.066 625 1HG2 VAL 79 1HG2 VAL 79 -10.995 5.669 -6.850 626 2HG2 VAL 79 2HG2 VAL 79 -9.575 6.443 -6.147 627 3HG2 VAL 79 3HG2 VAL 79 -10.199 6.993 -7.701 628 H ALA 80 HN ALA 80 -14.530 8.270 -6.178 629 HA ALA 80 HA ALA 80 -14.657 10.296 -4.196 630 1HB ALA 80 1HB ALA 80 -16.650 10.944 -5.203 631 2HB ALA 80 2HB ALA 80 -17.173 9.281 -5.472 632 3HB ALA 80 3HB ALA 80 -15.928 9.991 -6.500 633 H ALA 81 HN ALA 81 -16.306 7.139 -4.373 634 HA ALA 81 HA ALA 81 -17.814 7.482 -1.947 635 1HB ALA 81 1HB ALA 81 -17.422 5.434 -3.930 636 2HB ALA 81 2HB ALA 81 -18.726 5.588 -2.754 637 3HB ALA 81 3HB ALA 81 -17.251 4.721 -2.326 638 H VAL 82 HN VAL 82 -14.709 5.841 -2.643 639 HA VAL 82 HA VAL 82 -14.140 4.881 -0.061 640 HB VAL 82 HB VAL 82 -12.088 6.108 -1.927 641 1HG1 VAL 82 1HG1 VAL 82 -10.902 5.479 -0.049 642 2HG1 VAL 82 2HG1 VAL 82 -10.904 3.945 -0.914 643 3HG1 VAL 82 3HG1 VAL 82 -12.055 4.223 0.393 644 1HG2 VAL 82 1HG2 VAL 82 -13.111 3.257 -1.954 645 2HG2 VAL 82 2HG2 VAL 82 -12.004 4.012 -3.100 646 3HG2 VAL 82 3HG2 VAL 82 -13.697 4.496 -3.062 647 H PHE 83 HN PHE 83 -13.508 8.111 -1.425 648 HA PHE 83 HA PHE 83 -12.159 9.195 0.836 649 1HB PHE 83 2HB PHE 83 -13.656 10.316 -1.495 650 2HB PHE 83 1HB PHE 83 -13.325 11.394 -0.139 651 HD1 PHE 83 HD1 PHE 83 -12.051 10.219 -3.177 652 HD2 PHE 83 HD2 PHE 83 -10.824 11.123 0.836 653 HE1 PHE 83 HE1 PHE 83 -9.709 10.479 -3.951 654 HE2 PHE 83 HE2 PHE 83 -8.484 11.383 0.063 655 HZ PHE 83 HZ PHE 83 -7.928 11.060 -2.330 656 H ALA 84 HN ALA 84 -15.582 8.746 0.138 657 HA ALA 84 HA ALA 84 -16.639 10.441 2.177 658 1HB ALA 84 1HB ALA 84 -18.696 9.403 1.772 659 2HB ALA 84 2HB ALA 84 -17.954 7.836 1.450 660 3HB ALA 84 3HB ALA 84 -17.846 9.127 0.252 661 H TYR 85 HN TYR 85 -16.198 6.878 2.265 662 HA TYR 85 HA TYR 85 -16.851 6.356 4.891 663 1HB TYR 85 2HB TYR 85 -15.785 4.863 2.942 664 2HB TYR 85 1HB TYR 85 -14.331 5.097 3.912 665 HD1 TYR 85 HD1 TYR 85 -17.911 4.049 4.156 666 HD2 TYR 85 HD2 TYR 85 -13.980 3.819 5.865 667 HE1 TYR 85 HE1 TYR 85 -18.705 2.326 5.754 668 HE2 TYR 85 HE2 TYR 85 -14.769 2.098 7.461 669 HH TYR 85 HH TYR 85 -16.737 1.240 8.416 670 H ALA 86 HN ALA 86 -13.516 7.228 3.842 671 HA ALA 86 HA ALA 86 -12.382 7.379 6.428 672 1HB ALA 86 1HB ALA 86 -10.820 7.542 4.697 673 2HB ALA 86 2HB ALA 86 -10.894 9.206 5.275 674 3HB ALA 86 3HB ALA 86 -11.772 8.738 3.818 675 H LYS 87 HN LYS 87 -13.980 9.948 4.535 676 HA LYS 87 HA LYS 87 -13.672 12.007 6.501 677 1HB LYS 87 2HB LYS 87 -14.755 11.824 3.941 678 2HB LYS 87 1HB LYS 87 -16.155 12.174 4.954 679 1HG LYS 87 2HG LYS 87 -15.366 14.247 5.571 680 2HG LYS 87 1HG LYS 87 -13.676 13.751 5.467 681 1HD LYS 87 2HD LYS 87 -13.890 15.152 3.603 682 2HD LYS 87 1HD LYS 87 -14.161 13.557 2.901 683 1HE LYS 87 2HE LYS 87 -16.678 14.031 3.482 684 2HE LYS 87 1HE LYS 87 -16.160 15.715 3.517 685 1HZ LYS 87 1HE LYS 87 -15.099 14.402 1.241 686 2HZ LYS 87 2HE LYS 87 -16.112 15.763 1.318 687 3HZ LYS 87 3HE LYS 87 -16.783 14.203 1.291 688 H GLN 88 HN GLN 88 -15.904 9.338 6.185 689 HA GLN 88 HA GLN 88 -17.631 10.430 8.331 690 1HB GLN 88 2HB GLN 88 -17.906 8.380 6.217 691 2HB GLN 88 1HB GLN 88 -18.693 7.991 7.747 692 1HG GLN 88 2HG GLN 88 -20.216 9.690 7.554 693 2HG GLN 88 1HG GLN 88 -19.069 10.766 6.755 694 1HE2 GLN 88 1HE2 GLN 88 -18.512 10.111 4.404 695 2HE2 GLN 88 2HE2 GLN 88 -19.759 9.437 3.470 696 H HIS 89 HN HIS 89 -14.758 8.775 8.350 697 HA HIS 89 HA HIS 89 -15.597 7.201 10.748 698 1HB HIS 89 2HB HIS 89 -13.856 6.530 8.443 699 2HB HIS 89 1HB HIS 89 -13.250 6.040 10.026 700 HD1 HIS 89 HD1 HIS 89 -14.430 4.120 11.203 701 HD2 HIS 89 HD2 HIS 89 -16.429 5.356 7.760 702 HE1 HIS 89 HE1 HIS 89 -16.255 2.414 10.783 703 HA PRO 90 HA PRO 90 -12.743 10.201 12.606 704 1HB PRO 90 2HB PRO 90 -13.740 9.695 15.169 705 2HB PRO 90 1HB PRO 90 -14.294 10.967 14.072 706 1HG PRO 90 2HG PRO 90 -15.705 8.624 14.926 707 2HG PRO 90 1HG PRO 90 -16.268 9.918 13.860 708 1HD PRO 90 2HD PRO 90 -15.351 7.235 13.162 709 2HD PRO 90 1HD PRO 90 -16.203 8.422 12.162 710 H ASP 91 HN ASP 91 -12.733 6.909 12.615 711 HA ASP 91 HA ASP 91 -10.281 6.836 14.291 712 1HB ASP 91 2HB ASP 91 -12.813 5.392 14.801 713 2HB ASP 91 1HB ASP 91 -11.362 4.390 14.858 714 H GLN 92 HN GLN 92 -11.413 6.514 11.340 715 HA GLN 92 HA GLN 92 -9.456 4.422 10.608 716 1HB GLN 92 2HB GLN 92 -12.232 3.893 10.711 717 2HB GLN 92 1HB GLN 92 -11.863 4.134 9.005 718 1HG GLN 92 2HG GLN 92 -10.868 2.121 8.887 719 2HG GLN 92 1HG GLN 92 -9.796 2.532 10.223 720 1HE2 GLN 92 1HE2 GLN 92 -13.106 1.310 9.549 721 2HE2 GLN 92 2HE2 GLN 92 -13.249 0.449 11.005 722 H GLU 93 HN GLU 93 -8.172 5.968 9.471 723 HA GLU 93 HA GLU 93 -9.489 7.913 7.729 724 1HB GLU 93 2HB GLU 93 -6.606 7.263 8.371 725 2HB GLU 93 1HB GLU 93 -7.050 8.456 7.152 726 1HG GLU 93 HG2 GLU 93 -7.386 9.993 8.754 727 2HG GLU 93 HG1 GLU 93 -8.614 8.965 9.492 728 H LEU 94 HN LEU 94 -7.637 7.909 5.581 729 HA LEU 94 HA LEU 94 -8.535 5.448 4.157 730 1HB LEU 94 2HB LEU 94 -8.798 8.086 3.443 731 2HB LEU 94 1HB LEU 94 -7.327 7.633 2.587 732 HG LEU 94 HG LEU 94 -8.609 5.578 1.765 733 1HD1 LEU 94 1HD1 LEU 94 -10.948 7.276 2.690 734 2HD1 LEU 94 2HD1 LEU 94 -10.438 5.767 3.445 735 3HD1 LEU 94 3HD1 LEU 94 -11.056 5.762 1.795 736 1HD2 LEU 94 1HD2 LEU 94 -9.395 8.398 0.979 737 2HD2 LEU 94 2HD2 LEU 94 -9.833 6.977 0.033 738 3HD2 LEU 94 3HD2 LEU 94 -8.137 7.399 0.253 739 H VAL 95 HN VAL 95 -6.960 3.905 4.031 740 HA VAL 95 HA VAL 95 -4.137 4.851 3.716 741 HB VAL 95 HB VAL 95 -5.060 2.221 4.916 742 1HG1 VAL 95 1HG1 VAL 95 -2.544 2.468 5.729 743 2HG1 VAL 95 2HG1 VAL 95 -2.413 3.465 4.280 744 3HG1 VAL 95 3HG1 VAL 95 -2.918 1.780 4.149 745 1HG2 VAL 95 1HG2 VAL 95 -4.005 3.366 7.004 746 2HG2 VAL 95 2HG2 VAL 95 -5.634 3.842 6.524 747 3HG2 VAL 95 3HG2 VAL 95 -4.260 4.867 6.114 748 H ILE 96 HN ILE 96 -3.244 4.337 1.798 749 HA ILE 96 HA ILE 96 -4.745 2.617 -0.049 750 HB ILE 96 HB ILE 96 -2.102 4.010 -0.528 751 1HG1 ILE 96 2HG1 ILE 96 -3.839 5.611 0.271 752 2HG1 ILE 96 1HG1 ILE 96 -3.411 5.883 -1.415 753 1HG2 ILE 96 1HG2 ILE 96 -2.961 3.958 -2.895 754 2HG2 ILE 96 2HG2 ILE 96 -4.295 2.953 -2.329 755 3HG2 ILE 96 3HG2 ILE 96 -2.638 2.366 -2.213 756 1HD1 ILE 96 1HD1 ILE 96 -5.391 4.747 -2.178 757 2HD1 ILE 96 2HD1 ILE 96 -5.889 5.919 -0.956 758 3HD1 ILE 96 3HD1 ILE 96 -5.774 4.207 -0.543 759 H ALA 97 HN ALA 97 -3.945 0.707 -0.959 760 HA ALA 97 HA ALA 97 -1.484 -0.428 0.288 761 1HB ALA 97 1HB ALA 97 -2.793 -2.682 0.040 762 2HB ALA 97 2HB ALA 97 -4.223 -1.649 0.033 763 3HB ALA 97 3HB ALA 97 -3.138 -1.644 1.423 764 H GLY 98 HN GLY 98 -2.996 0.545 -2.486 765 1HA GLY 98 2HA GLY 98 -1.941 0.417 -4.631 766 2HA GLY 98 1HA GLY 98 -1.147 -1.073 -4.134 767 H GLY 99 HN GLY 99 -3.512 -2.531 -6.379 768 1HA GLY 99 2HA GLY 99 -0.757 -2.188 -5.644 769 2HA GLY 99 1HA GLY 99 -1.350 -2.705 -7.216 770 H ALA 100 HN ALA 100 -0.086 -1.420 -8.516 771 HA ALA 100 HA ALA 100 0.587 1.311 -8.027 772 1HB ALA 100 1HB ALA 100 1.952 0.666 -9.710 773 2HB ALA 100 2HB ALA 100 0.609 1.047 -10.789 774 3HB ALA 100 3HB ALA 100 0.845 -0.607 -10.224 775 H GLN 101 HN GLN 101 -2.120 -0.150 -9.796 776 HA GLN 101 HA GLN 101 -3.141 2.195 -10.988 777 1HB GLN 101 2HB GLN 101 -4.058 -0.485 -10.523 778 2HB GLN 101 1HB GLN 101 -5.360 0.634 -10.121 779 1HG GLN 101 2HG GLN 101 -5.738 1.067 -12.297 780 2HG GLN 101 1HG GLN 101 -4.045 1.491 -12.551 781 1HE2 GLN 101 1HE2 GLN 101 -6.442 -0.894 -13.203 782 2HE2 GLN 101 2HE2 GLN 101 -5.410 -2.073 -13.857 783 H ILE 102 HN ILE 102 -3.682 0.941 -7.655 784 HA ILE 102 HA ILE 102 -5.575 3.044 -7.042 785 HB ILE 102 HB ILE 102 -3.973 1.301 -5.150 786 1HG1 ILE 102 2HG1 ILE 102 -5.221 -0.066 -6.773 787 2HG1 ILE 102 1HG1 ILE 102 -5.974 -0.168 -5.183 788 1HG2 ILE 102 1HG2 ILE 102 -5.237 3.406 -4.321 789 2HG2 ILE 102 2HG2 ILE 102 -5.559 1.879 -3.501 790 3HG2 ILE 102 3HG2 ILE 102 -6.703 2.499 -4.691 791 1HD1 ILE 102 1HD1 ILE 102 -6.884 1.529 -7.522 792 2HD1 ILE 102 2HD1 ILE 102 -7.558 1.654 -5.898 793 3HD1 ILE 102 3HD1 ILE 102 -7.733 0.157 -6.811 794 H PHE 103 HN PHE 103 -2.057 2.777 -6.875 795 HA PHE 103 HA PHE 103 -1.736 4.977 -5.016 796 1HB PHE 103 2HB PHE 103 0.169 3.717 -7.014 797 2HB PHE 103 1HB PHE 103 0.639 4.942 -5.841 798 HD1 PHE 103 HD1 PHE 103 1.408 1.843 -6.254 799 HD2 PHE 103 HD2 PHE 103 -1.068 4.025 -3.503 800 HE1 PHE 103 HE1 PHE 103 1.741 0.073 -4.549 801 HE2 PHE 103 HE2 PHE 103 -0.733 2.256 -1.800 802 HZ PHE 103 HZ PHE 103 0.669 0.279 -2.323 803 H THR 104 HN THR 104 -2.314 4.710 -8.432 804 HA THR 104 HA THR 104 -1.284 7.369 -9.072 805 HB THR 104 HB THR 104 -3.178 5.763 -10.783 806 HG1 THR 104 HG1 THR 104 -1.171 4.848 -11.608 807 1HG2 THR 104 1HG2 THR 104 -0.836 7.122 -11.931 808 2HG2 THR 104 2HG2 THR 104 -1.974 8.210 -11.137 809 3HG2 THR 104 3HG2 THR 104 -2.523 7.161 -12.443 810 H ALA 105 HN ALA 105 -4.588 5.950 -8.928 811 HA ALA 105 HA ALA 105 -5.936 8.422 -9.410 812 1HB ALA 105 1HB ALA 105 -6.721 5.792 -8.203 813 2HB ALA 105 2HB ALA 105 -7.354 6.596 -9.640 814 3HB ALA 105 3HB ALA 105 -7.816 7.164 -8.036 815 H PHE 106 HN PHE 106 -4.558 7.058 -6.486 816 HA PHE 106 HA PHE 106 -5.822 9.192 -4.849 817 1HB PHE 106 2HB PHE 106 -4.276 6.685 -4.178 818 2HB PHE 106 1HB PHE 106 -4.649 7.906 -2.961 819 HD1 PHE 106 HD1 PHE 106 -6.848 8.137 -2.061 820 HD2 PHE 106 HD2 PHE 106 -6.150 5.550 -5.414 821 HE1 PHE 106 HE1 PHE 106 -9.130 7.204 -1.818 822 HE2 PHE 106 HE2 PHE 106 -8.433 4.618 -5.171 823 HZ PHE 106 HZ PHE 106 -9.923 5.446 -3.373 824 H LYS 107 HN LYS 107 -2.985 8.757 -6.612 825 HA LYS 107 HA LYS 107 -0.990 9.771 -4.884 826 1HB LYS 107 2HB LYS 107 0.289 10.325 -6.851 827 2HB LYS 107 1HB LYS 107 -0.575 8.828 -7.165 828 1HG LYS 107 2HG LYS 107 -1.374 9.792 -9.033 829 2HG LYS 107 1HG LYS 107 -2.343 10.830 -7.993 830 1HD LYS 107 2HD LYS 107 -0.614 12.518 -7.945 831 2HD LYS 107 1HD LYS 107 0.515 11.448 -8.776 832 1HE LYS 107 2HE LYS 107 -2.099 12.036 -10.104 833 2HE LYS 107 1HE LYS 107 -0.860 13.291 -10.114 834 1HZ LYS 107 1HE LYS 107 -0.250 12.144 -11.956 835 2HZ LYS 107 2HE LYS 107 -0.861 10.663 -11.392 836 3HZ LYS 107 3HE LYS 107 0.625 11.248 -10.813 837 H ASP 108 HN ASP 108 -3.429 11.582 -6.774 838 HA ASP 108 HA ASP 108 -2.295 14.167 -6.324 839 1HB ASP 108 2HB ASP 108 -4.280 13.325 -7.870 840 2HB ASP 108 1HB ASP 108 -5.260 13.789 -6.479 841 H ASP 109 HN ASP 109 -4.538 12.194 -4.417 842 HA ASP 109 HA ASP 109 -4.555 14.324 -2.325 843 1HB ASP 109 2HB ASP 109 -6.434 12.060 -2.983 844 2HB ASP 109 1HB ASP 109 -6.477 12.853 -1.408 845 H VAL 110 HN VAL 110 -2.449 13.715 -1.419 846 HA VAL 110 HA VAL 110 -2.523 11.077 -0.013 847 HB VAL 110 HB VAL 110 -0.009 12.618 -0.674 848 1HG1 VAL 110 1HG1 VAL 110 0.439 9.858 -0.617 849 2HG1 VAL 110 2HG1 VAL 110 -0.699 10.143 0.699 850 3HG1 VAL 110 3HG1 VAL 110 0.837 11.008 0.658 851 1HG2 VAL 110 1HG2 VAL 110 -1.701 10.901 -2.412 852 2HG2 VAL 110 2HG2 VAL 110 0.030 10.562 -2.437 853 3HG2 VAL 110 3HG2 VAL 110 -0.557 12.171 -2.851 854 H ASP 111 HN ASP 111 -1.814 11.089 2.173 855 HA ASP 111 HA ASP 111 -1.491 13.798 3.398 856 1HB ASP 111 2HB ASP 111 -3.718 12.238 3.718 857 2HB ASP 111 1HB ASP 111 -2.732 11.705 5.079 858 H THR 112 HN THR 112 -0.792 10.337 3.566 859 HA THR 112 HA THR 112 1.728 10.974 4.995 860 HB THR 112 HB THR 112 -0.178 8.819 5.956 861 HG1 THR 112 HG1 THR 112 -1.001 10.805 6.508 862 1HG2 THR 112 1HG2 THR 112 1.388 8.386 7.653 863 2HG2 THR 112 2HG2 THR 112 2.217 9.923 7.406 864 3HG2 THR 112 3HG2 THR 112 2.399 8.623 6.228 865 H LEU 113 HN LEU 113 3.382 9.832 4.077 866 HA LEU 113 HA LEU 113 2.637 7.576 2.267 867 1HB LEU 113 2HB LEU 113 5.091 9.350 2.316 868 2HB LEU 113 1HB LEU 113 4.871 7.990 1.219 869 HG LEU 113 HG LEU 113 2.650 9.960 1.323 870 1HD1 LEU 113 1HD1 LEU 113 4.161 11.686 1.144 871 2HD1 LEU 113 2HD1 LEU 113 4.170 11.171 -0.543 872 3HD1 LEU 113 3HD1 LEU 113 5.447 10.634 0.549 873 1HD2 LEU 113 1HD2 LEU 113 3.268 7.803 -0.218 874 2HD2 LEU 113 2HD2 LEU 113 3.951 9.099 -1.198 875 3HD2 LEU 113 3HD2 LEU 113 2.242 9.126 -0.768 876 H LEU 114 HN LEU 114 3.336 5.547 2.745 877 HA LEU 114 HA LEU 114 5.485 5.247 4.803 878 1HB LEU 114 2HB LEU 114 3.181 3.322 4.412 879 2HB LEU 114 1HB LEU 114 4.321 3.383 5.754 880 HG LEU 114 HG LEU 114 2.688 5.827 5.227 881 1HD1 LEU 114 1HD1 LEU 114 1.179 3.743 5.086 882 2HD1 LEU 114 2HD1 LEU 114 0.728 4.984 6.255 883 3HD1 LEU 114 3HD1 LEU 114 1.543 3.517 6.796 884 1HD2 LEU 114 1HD2 LEU 114 4.506 5.186 7.104 885 2HD2 LEU 114 2HD2 LEU 114 3.058 4.571 7.903 886 3HD2 LEU 114 3HD2 LEU 114 3.154 6.269 7.435 887 H VAL 115 HN VAL 115 7.089 4.899 3.219 888 HA VAL 115 HA VAL 115 6.628 2.554 1.421 889 HB VAL 115 HB VAL 115 7.009 4.744 0.291 890 1HG1 VAL 115 1HG1 VAL 115 9.322 5.668 0.348 891 2HG1 VAL 115 2HG1 VAL 115 9.729 4.512 1.615 892 3HG1 VAL 115 3HG1 VAL 115 8.524 5.763 1.917 893 1HG2 VAL 115 1HG2 VAL 115 7.599 2.631 -0.820 894 2HG2 VAL 115 2HG2 VAL 115 9.193 2.668 -0.061 895 3HG2 VAL 115 3HG2 VAL 115 8.752 3.895 -1.249 896 H THR 116 HN THR 116 8.159 0.933 1.291 897 HA THR 116 HA THR 116 10.318 1.002 3.362 898 HB THR 116 HB THR 116 9.337 -1.530 2.067 899 HG1 THR 116 HG1 THR 116 7.729 -1.673 3.600 900 1HG2 THR 116 1HG2 THR 116 11.365 -1.263 3.657 901 2HG2 THR 116 2HG2 THR 116 10.214 -2.557 3.993 902 3HG2 THR 116 3HG2 THR 116 10.156 -1.060 4.924 903 H ARG 117 HN ARG 117 12.396 0.965 2.584 904 HA ARG 117 HA ARG 117 12.746 0.374 -0.323 905 1HB ARG 117 2HB ARG 117 13.967 2.313 1.549 906 2HB ARG 117 1HB ARG 117 15.096 1.536 0.439 907 1HG ARG 117 2HG ARG 117 13.692 2.189 -1.472 908 2HG ARG 117 1HG ARG 117 12.533 2.939 -0.375 909 1HD ARG 117 2HD ARG 117 15.056 4.014 0.310 910 2HD ARG 117 1HD ARG 117 14.976 4.040 -1.452 911 HE ARG 117 HE ARG 117 13.445 5.722 0.323 912 1HH1 ARG 117 1HH2 ARG 117 13.333 3.952 -2.661 913 2HH1 ARG 117 2HH2 ARG 117 12.125 4.977 -3.358 914 1HH2 ARG 117 1HH1 ARG 117 11.879 7.049 -0.596 915 2HH2 ARG 117 2HH1 ARG 117 11.305 6.720 -2.197 916 H LEU 118 HN LEU 118 13.564 -1.620 -0.713 917 HA LEU 118 HA LEU 118 15.016 -3.064 1.402 918 1HB LEU 118 2HB LEU 118 14.061 -3.805 -1.366 919 2HB LEU 118 1HB LEU 118 15.128 -4.862 -0.446 920 HG LEU 118 HG LEU 118 13.465 -4.780 1.441 921 1HD1 LEU 118 1HD1 LEU 118 12.260 -2.773 1.011 922 2HD1 LEU 118 2HD1 LEU 118 11.118 -4.074 0.672 923 3HD1 LEU 118 3HD1 LEU 118 11.926 -3.242 -0.657 924 1HD2 LEU 118 1HD2 LEU 118 11.835 -6.293 0.326 925 2HD2 LEU 118 2HD2 LEU 118 13.498 -6.675 -0.120 926 3HD2 LEU 118 3HD2 LEU 118 12.464 -5.790 -1.242 927 H ALA 119 HN ALA 119 17.171 -3.961 1.031 928 HA ALA 119 HA ALA 119 18.904 -2.034 -0.347 929 1HB ALA 119 1HB ALA 119 19.241 -3.463 1.925 930 2HB ALA 119 2HB ALA 119 20.591 -2.863 0.961 931 3HB ALA 119 3HB ALA 119 20.052 -4.532 0.779 932 H GLY 120 HN GLY 120 17.622 -5.243 -0.926 933 1HA GLY 120 2HA GLY 120 19.569 -5.934 -2.976 934 2HA GLY 120 1HA GLY 120 18.057 -6.784 -2.655 935 H SER 121 HN SER 121 18.757 -6.373 -5.281 936 HA SER 121 HA SER 121 16.875 -4.202 -6.122 937 1HB SER 121 2HB SER 121 19.456 -4.019 -6.641 938 2HB SER 121 1HB SER 121 19.079 -5.179 -7.911 939 HG SER 121 HG SER 121 18.695 -3.269 -8.854 940 H PHE 122 HN PHE 122 15.066 -5.111 -6.981 941 HA PHE 122 HA PHE 122 15.342 -7.747 -8.354 942 1HB PHE 122 2HB PHE 122 12.842 -6.486 -7.187 943 2HB PHE 122 1HB PHE 122 13.004 -8.129 -7.808 944 HD1 PHE 122 HD1 PHE 122 14.169 -9.852 -6.545 945 HD2 PHE 122 HD2 PHE 122 13.913 -5.825 -5.070 946 HE1 PHE 122 HE1 PHE 122 14.954 -10.616 -4.319 947 HE2 PHE 122 HE2 PHE 122 14.697 -6.589 -2.845 948 HZ PHE 122 HZ PHE 122 15.215 -8.986 -2.468 949 H GLU 123 HN GLU 123 13.872 -8.037 -10.251 950 HA GLU 123 HA GLU 123 13.494 -5.445 -11.703 951 1HB GLU 123 2HB GLU 123 14.740 -7.998 -12.496 952 2HB GLU 123 1HB GLU 123 13.606 -7.349 -13.681 953 1HG GLU 123 HG2 GLU 123 15.368 -5.298 -12.536 954 2HG GLU 123 HG1 GLU 123 16.246 -6.562 -13.398 955 H GLY 124 HN GLY 124 11.699 -5.491 -13.319 956 1HA GLY 124 2HA GLY 124 9.740 -7.539 -13.431 957 2HA GLY 124 1HA GLY 124 9.250 -6.399 -12.176 958 H ASP 125 HN ASP 125 7.391 -5.733 -13.520 959 HA ASP 125 HA ASP 125 8.216 -3.836 -15.653 960 1HB ASP 125 2HB ASP 125 6.851 -6.270 -16.089 961 2HB ASP 125 1HB ASP 125 5.622 -5.010 -16.197 962 H THR 126 HN THR 126 6.307 -4.607 -12.894 963 HA THR 126 HA THR 126 4.650 -2.153 -13.251 964 HB THR 126 HB THR 126 4.301 -4.275 -11.119 965 HG1 THR 126 HG1 THR 126 2.630 -5.027 -12.589 966 1HG2 THR 126 1HG2 THR 126 2.402 -2.257 -12.349 967 2HG2 THR 126 2HG2 THR 126 3.195 -2.081 -10.783 968 3HG2 THR 126 3HG2 THR 126 2.021 -3.373 -11.038 969 H LYS 127 HN LYS 127 5.505 -0.408 -12.275 970 HA LYS 127 HA LYS 127 7.029 -0.817 -9.733 971 1HB LYS 127 2HB LYS 127 7.570 1.052 -12.047 972 2HB LYS 127 1HB LYS 127 8.270 1.312 -10.448 973 1HG LYS 127 2HG LYS 127 9.127 -1.085 -10.571 974 2HG LYS 127 1HG LYS 127 8.667 -1.067 -12.274 975 1HD LYS 127 2HD LYS 127 10.088 0.981 -12.573 976 2HD LYS 127 1HD LYS 127 10.644 0.781 -10.911 977 1HE LYS 127 2HE LYS 127 12.303 -0.401 -11.994 978 2HE LYS 127 1HE LYS 127 11.133 -1.701 -11.769 979 1HZ LYS 127 1HE LYS 127 10.790 -0.075 -14.153 980 2HZ LYS 127 2HE LYS 127 10.633 -1.754 -13.947 981 3HZ LYS 127 3HE LYS 127 12.172 -1.058 -14.127 982 H MET 128 HN MET 128 6.942 1.059 -8.266 983 HA MET 128 HA MET 128 4.266 2.004 -7.907 984 1HB MET 128 2HB MET 128 6.385 1.804 -6.268 985 2HB MET 128 1HB MET 128 6.504 3.519 -6.664 986 1HG MET 128 2HG MET 128 3.760 2.636 -6.091 987 2HG MET 128 1HG MET 128 4.855 2.461 -4.726 988 1HE MET 128 1HE MET 128 2.351 5.087 -4.621 989 2HE MET 128 2HE MET 128 3.503 5.297 -3.304 990 3HE MET 128 3HE MET 128 3.088 3.675 -3.852 991 H ILE 129 HN ILE 129 3.539 4.242 -7.957 992 HA ILE 129 HA ILE 129 4.303 5.601 -10.401 993 HB ILE 129 HB ILE 129 2.621 7.294 -9.614 994 1HG1 ILE 129 2HG1 ILE 129 1.848 5.509 -7.366 995 2HG1 ILE 129 1HG1 ILE 129 3.292 6.491 -7.114 996 1HG2 ILE 129 1HG2 ILE 129 0.741 5.440 -9.350 997 2HG2 ILE 129 2HG2 ILE 129 2.062 4.357 -9.786 998 3HG2 ILE 129 3HG2 ILE 129 1.585 5.652 -10.884 999 1HD1 ILE 129 1HD1 ILE 129 1.057 7.549 -6.427 1000 2HD1 ILE 129 2HD1 ILE 129 0.714 7.675 -8.152 1001 3HD1 ILE 129 3HD1 ILE 129 2.101 8.520 -7.466 1002 HA PRO 130 HA PRO 130 7.173 8.620 -8.856 1003 1HB PRO 130 2HB PRO 130 6.259 10.848 -10.305 1004 2HB PRO 130 1HB PRO 130 7.420 9.638 -10.866 1005 1HG PRO 130 2HG PRO 130 4.766 10.093 -11.811 1006 2HG PRO 130 1HG PRO 130 5.921 8.866 -12.349 1007 1HD PRO 130 2HD PRO 130 3.591 8.569 -10.608 1008 2HD PRO 130 1HD PRO 130 4.538 7.320 -11.434 1009 H LEU 131 HN LEU 131 6.771 9.137 -6.703 1010 HA LEU 131 HA LEU 131 4.487 10.901 -6.046 1011 1HB LEU 131 2HB LEU 131 6.351 9.151 -4.501 1012 2HB LEU 131 1HB LEU 131 5.605 10.514 -3.663 1013 HG LEU 131 HG LEU 131 3.934 8.670 -5.353 1014 1HD1 LEU 131 1HD1 LEU 131 4.356 6.957 -3.959 1015 2HD1 LEU 131 2HD1 LEU 131 3.602 7.896 -2.675 1016 3HD1 LEU 131 3HD1 LEU 131 5.348 7.970 -2.914 1017 1HD2 LEU 131 1HD2 LEU 131 3.066 9.938 -2.792 1018 2HD2 LEU 131 2HD2 LEU 131 2.158 9.681 -4.283 1019 3HD2 LEU 131 3HD2 LEU 131 3.325 10.999 -4.177 1020 H ASN 132 HN ASN 132 4.862 12.844 -4.706 1021 HA ASN 132 HA ASN 132 7.308 14.257 -5.611 1022 1HB ASN 132 2HB ASN 132 4.601 14.997 -5.354 1023 2HB ASN 132 1HB ASN 132 5.456 15.900 -4.105 1024 1HD2 ASN 132 1HD2 ASN 132 7.423 17.169 -4.874 1025 2HD2 ASN 132 2HD2 ASN 132 7.416 17.780 -6.458 1026 H TRP 133 HN TRP 133 8.477 12.840 -3.922 1027 HA TRP 133 HA TRP 133 8.165 13.089 -1.139 1028 1HB TRP 133 2HB TRP 133 10.821 13.018 -2.604 1029 2HB TRP 133 1HB TRP 133 10.520 12.505 -0.943 1030 HD1 TRP 133 HD1 TRP 133 10.212 11.380 -4.524 1031 HE1 TRP 133 HE1 TRP 133 9.348 8.952 -4.592 1032 HE3 TRP 133 HE3 TRP 133 8.975 10.746 0.388 1033 HZ2 TRP 133 HZ2 TRP 133 8.281 7.004 -2.801 1034 HZ3 TRP 133 HZ3 TRP 133 8.038 8.593 1.179 1035 HH2 TRP 133 HH2 TRP 133 7.689 6.722 -0.408 1036 H ASP 134 HN ASP 134 9.447 15.401 -3.432 1037 HA ASP 134 HA ASP 134 10.787 17.121 -1.570 1038 1HB ASP 134 2HB ASP 134 10.475 17.073 -4.303 1039 2HB ASP 134 1HB ASP 134 9.493 18.466 -3.847 1040 H ASP 135 HN ASP 135 7.406 16.685 -2.359 1041 HA ASP 135 HA ASP 135 6.634 19.199 -1.015 1042 1HB ASP 135 2HB ASP 135 5.517 17.806 -3.082 1043 2HB ASP 135 1HB ASP 135 4.543 17.231 -1.729 1044 H PHE 136 HN PHE 136 7.284 15.992 -0.132 1045 HA PHE 136 HA PHE 136 5.612 16.276 2.338 1046 1HB PHE 136 2HB PHE 136 6.601 13.797 0.907 1047 2HB PHE 136 1HB PHE 136 5.873 13.766 2.512 1048 HD1 PHE 136 HD1 PHE 136 5.272 14.496 -1.064 1049 HD2 PHE 136 HD2 PHE 136 3.505 14.098 2.829 1050 HE1 PHE 136 HE1 PHE 136 3.017 14.475 -2.090 1051 HE2 PHE 136 HE2 PHE 136 1.249 14.077 1.801 1052 HZ PHE 136 HZ PHE 136 1.005 14.267 -0.658 1053 H THR 137 HN THR 137 6.641 15.191 4.288 1054 HA THR 137 HA THR 137 9.625 15.312 4.176 1055 HB THR 137 HB THR 137 8.043 16.418 6.503 1056 HG1 THR 137 HG1 THR 137 7.523 17.707 4.783 1057 1HG2 THR 137 1HG2 THR 137 10.892 16.222 5.676 1058 2HG2 THR 137 2HG2 THR 137 10.183 16.182 7.290 1059 3HG2 THR 137 3HG2 THR 137 10.400 17.723 6.460 1060 H LYS 138 HN LYS 138 10.567 13.561 5.188 1061 HA LYS 138 HA LYS 138 8.888 11.461 6.252 1062 1HB LYS 138 2HB LYS 138 11.093 11.148 5.044 1063 2HB LYS 138 1HB LYS 138 11.895 11.743 6.495 1064 1HG LYS 138 2HG LYS 138 9.913 9.612 6.981 1065 2HG LYS 138 1HG LYS 138 11.309 9.110 6.032 1066 1HD LYS 138 2HD LYS 138 11.472 10.575 8.680 1067 2HD LYS 138 1HD LYS 138 11.664 8.833 8.487 1068 1HE LYS 138 2HE LYS 138 13.855 9.210 8.100 1069 2HE LYS 138 1HE LYS 138 13.382 9.952 6.573 1070 1HZ LYS 138 1HE LYS 138 14.723 11.251 8.434 1071 2HZ LYS 138 2HE LYS 138 13.148 11.601 8.965 1072 3HZ LYS 138 3HE LYS 138 13.632 12.025 7.393 1073 H VAL 139 HN VAL 139 8.074 11.436 8.287 1074 HA VAL 139 HA VAL 139 9.367 13.130 10.358 1075 HB VAL 139 HB VAL 139 7.247 12.759 11.623 1076 1HG1 VAL 139 1HG1 VAL 139 6.383 13.613 8.895 1077 2HG1 VAL 139 2HG1 VAL 139 7.705 14.506 9.647 1078 3HG1 VAL 139 3HG1 VAL 139 6.138 14.407 10.451 1079 1HG2 VAL 139 1HG2 VAL 139 5.396 11.609 10.573 1080 2HG2 VAL 139 2HG2 VAL 139 6.782 10.519 10.546 1081 3HG2 VAL 139 3HG2 VAL 139 6.313 11.387 9.084 1082 H SER 140 HN SER 140 8.803 9.772 9.553 1083 HA SER 140 HA SER 140 10.341 9.024 11.983 1084 1HB SER 140 2HB SER 140 7.562 8.116 11.297 1085 2HB SER 140 1HB SER 140 8.648 7.027 12.154 1086 HG SER 140 HG SER 140 7.581 9.506 12.936 1087 H SER 141 HN SER 141 11.736 7.342 11.614 1088 HA SER 141 HA SER 141 11.332 5.568 9.297 1089 1HB SER 141 2HB SER 141 13.144 7.830 9.240 1090 2HB SER 141 1HB SER 141 14.027 6.320 9.048 1091 HG SER 141 HG SER 141 13.101 7.323 7.089 1092 H ARG 142 HN ARG 142 12.190 3.546 9.702 1093 HA ARG 142 HA ARG 142 14.116 3.297 11.973 1094 1HB ARG 142 2HB ARG 142 11.611 2.589 12.387 1095 2HB ARG 142 1HB ARG 142 12.050 1.180 11.420 1096 1HG ARG 142 2HG ARG 142 12.796 0.306 13.377 1097 2HG ARG 142 1HG ARG 142 14.184 1.371 13.151 1098 1HD ARG 142 2HD ARG 142 13.501 2.003 15.282 1099 2HD ARG 142 1HD ARG 142 12.604 3.155 14.294 1100 HE ARG 142 HE ARG 142 10.607 2.068 14.922 1101 1HH1 ARG 142 1HH2 ARG 142 13.385 0.103 15.622 1102 2HH1 ARG 142 2HH2 ARG 142 12.472 -1.082 16.491 1103 1HH2 ARG 142 1HH1 ARG 142 9.433 0.518 16.049 1104 2HH2 ARG 142 2HH1 ARG 142 10.247 -0.851 16.731 1105 H THR 143 HN THR 143 15.925 2.127 11.361 1106 HA THR 143 HA THR 143 15.787 0.724 8.735 1107 HB THR 143 HB THR 143 18.309 1.356 10.269 1108 HG1 THR 143 HG1 THR 143 17.408 3.325 10.071 1109 1HG2 THR 143 1HG2 THR 143 18.451 1.655 7.421 1110 2HG2 THR 143 2HG2 THR 143 17.687 0.108 7.787 1111 3HG2 THR 143 3HG2 THR 143 19.281 0.482 8.442 1112 H VAL 144 HN VAL 144 15.885 -1.477 8.714 1113 HA VAL 144 HA VAL 144 16.947 -2.839 11.152 1114 HB VAL 144 HB VAL 144 14.480 -2.932 11.153 1115 1HG1 VAL 144 1HG1 VAL 144 14.365 -4.704 8.789 1116 2HG1 VAL 144 2HG1 VAL 144 14.687 -3.008 8.432 1117 3HG1 VAL 144 3HG1 VAL 144 13.233 -3.461 9.322 1118 1HG2 VAL 144 1HG2 VAL 144 14.270 -5.321 11.435 1119 2HG2 VAL 144 2HG2 VAL 144 15.899 -4.875 11.943 1120 3HG2 VAL 144 3HG2 VAL 144 15.640 -5.620 10.366 1121 H GLU 145 HN GLU 145 18.460 -4.357 10.704 1122 HA GLU 145 HA GLU 145 19.105 -4.921 7.886 1123 1HB GLU 145 2HB GLU 145 20.491 -5.085 10.488 1124 2HB GLU 145 1HB GLU 145 20.879 -6.395 9.373 1125 1HG GLU 145 HG2 GLU 145 21.793 -4.962 7.788 1126 2HG GLU 145 HG1 GLU 145 20.843 -3.582 8.338 1127 H ASP 146 HN ASP 146 19.519 -7.206 7.227 1128 HA ASP 146 HA ASP 146 17.886 -9.189 8.736 1129 1HB ASP 146 2HB ASP 146 16.979 -7.957 6.412 1130 2HB ASP 146 1HB ASP 146 17.650 -9.480 5.830 1131 H THR 147 HN THR 147 18.509 -11.409 8.280 1132 HA THR 147 HA THR 147 21.315 -11.806 7.956 1133 HB THR 147 HB THR 147 20.613 -14.254 7.625 1134 HG1 THR 147 HG1 THR 147 18.074 -13.306 8.384 1135 1HG2 THR 147 1HG2 THR 147 21.171 -13.168 9.823 1136 2HG2 THR 147 2HG2 THR 147 20.020 -14.497 9.957 1137 3HG2 THR 147 3HG2 THR 147 19.453 -12.829 10.032 1138 H ASN 148 HN ASN 148 18.834 -11.352 5.637 1139 HA ASN 148 HA ASN 148 20.540 -12.511 3.482 1140 1HB ASN 148 2HB ASN 148 17.899 -12.893 3.865 1141 2HB ASN 148 1HB ASN 148 17.837 -11.462 2.835 1142 1HD2 ASN 148 1HD2 ASN 148 17.679 -12.038 0.667 1143 2HD2 ASN 148 2HD2 ASN 148 18.418 -13.391 -0.043 1144 HA PRO 149 HA PRO 149 22.106 -8.526 2.358 1145 1HB PRO 149 2HB PRO 149 22.101 -9.249 -0.435 1146 2HB PRO 149 1HB PRO 149 23.477 -9.127 0.668 1147 1HG PRO 149 2HG PRO 149 22.174 -11.492 -0.335 1148 2HG PRO 149 1HG PRO 149 23.640 -11.365 0.645 1149 1HD PRO 149 2HD PRO 149 21.166 -12.353 1.506 1150 2HD PRO 149 1HD PRO 149 22.526 -11.896 2.542 1151 H ALA 150 HN ALA 150 19.668 -9.909 0.128 1152 HA ALA 150 HA ALA 150 18.759 -7.251 -0.659 1153 1HB ALA 150 1HB ALA 150 16.996 -8.549 -1.899 1154 2HB ALA 150 2HB ALA 150 17.687 -10.024 -1.225 1155 3HB ALA 150 3HB ALA 150 18.649 -9.011 -2.301 1156 H LEU 151 HN LEU 151 17.637 -9.721 1.645 1157 HA LEU 151 HA LEU 151 15.036 -8.569 2.013 1158 1HB LEU 151 2HB LEU 151 16.700 -10.264 3.895 1159 2HB LEU 151 1HB LEU 151 14.997 -9.881 4.133 1160 HG LEU 151 HG LEU 151 16.162 -11.380 1.764 1161 1HD1 LEU 151 1HD1 LEU 151 14.333 -12.334 3.986 1162 2HD1 LEU 151 2HD1 LEU 151 16.068 -12.632 3.937 1163 3HD1 LEU 151 3HD1 LEU 151 15.022 -13.315 2.693 1164 1HD2 LEU 151 1HD2 LEU 151 13.908 -9.833 1.723 1165 2HD2 LEU 151 2HD2 LEU 151 13.244 -11.362 2.285 1166 3HD2 LEU 151 3HD2 LEU 151 14.112 -11.289 0.752 1167 H THR 152 HN THR 152 18.073 -7.324 2.867 1168 HA THR 152 HA THR 152 17.383 -6.068 5.378 1169 HB THR 152 HB THR 152 19.343 -5.022 3.314 1170 HG1 THR 152 HG1 THR 152 20.373 -6.804 3.627 1171 1HG2 THR 152 1HG2 THR 152 19.974 -3.590 4.930 1172 2HG2 THR 152 2HG2 THR 152 20.124 -4.898 6.101 1173 3HG2 THR 152 3HG2 THR 152 18.566 -4.108 5.856 1174 H HIS 153 HN HIS 153 16.497 -3.930 5.699 1175 HA HIS 153 HA HIS 153 15.979 -2.193 3.434 1176 1HB HIS 153 2HB HIS 153 13.489 -2.384 3.496 1177 2HB HIS 153 1HB HIS 153 14.283 -3.844 2.911 1178 HD1 HIS 153 HD1 HIS 153 14.766 -5.684 4.938 1179 HD2 HIS 153 HD2 HIS 153 11.717 -2.906 5.546 1180 HE1 HIS 153 HE1 HIS 153 13.297 -6.623 6.776 1181 H THR 154 HN THR 154 14.418 -0.389 4.082 1182 HA THR 154 HA THR 154 14.541 0.147 7.018 1183 HB THR 154 HB THR 154 15.041 2.249 4.896 1184 HG1 THR 154 HG1 THR 154 16.673 0.676 4.796 1185 1HG2 THR 154 1HG2 THR 154 14.822 3.571 6.707 1186 2HG2 THR 154 2HG2 THR 154 16.342 2.881 7.277 1187 3HG2 THR 154 3HG2 THR 154 14.809 2.187 7.796 1188 H TYR 155 HN TYR 155 12.818 1.612 7.751 1189 HA TYR 155 HA TYR 155 10.483 1.608 5.887 1190 1HB TYR 155 2HB TYR 155 10.637 1.841 8.908 1191 2HB TYR 155 1HB TYR 155 9.144 1.942 7.978 1192 HD1 TYR 155 HD1 TYR 155 8.527 -0.044 6.470 1193 HD2 TYR 155 HD2 TYR 155 11.530 -0.250 9.534 1194 HE1 TYR 155 HE1 TYR 155 8.353 -2.518 6.474 1195 HE2 TYR 155 HE2 TYR 155 11.357 -2.724 9.537 1196 HH TYR 155 HH TYR 155 9.884 -4.465 8.907 1197 H GLU 156 HN GLU 156 9.919 3.583 5.020 1198 HA GLU 156 HA GLU 156 10.829 6.023 6.490 1199 1HB GLU 156 2HB GLU 156 10.459 5.487 3.536 1200 2HB GLU 156 1HB GLU 156 10.644 7.112 4.194 1201 1HG GLU 156 HG2 GLU 156 12.696 5.542 5.359 1202 2HG GLU 156 HG1 GLU 156 12.685 5.157 3.638 1203 H VAL 157 HN VAL 157 9.183 7.176 7.375 1204 HA VAL 157 HA VAL 157 6.458 6.918 6.161 1205 HB VAL 157 HB VAL 157 7.267 7.627 9.001 1206 1HG1 VAL 157 1HG1 VAL 157 5.177 8.406 9.272 1207 2HG1 VAL 157 2HG1 VAL 157 4.519 6.867 8.720 1208 3HG1 VAL 157 3HG1 VAL 157 4.861 8.148 7.557 1209 1HG2 VAL 157 1HG2 VAL 157 7.038 5.114 7.702 1210 2HG2 VAL 157 2HG2 VAL 157 5.614 5.279 8.728 1211 3HG2 VAL 157 3HG2 VAL 157 7.225 5.417 9.429 1212 H TRP 158 HN TRP 158 5.651 8.786 5.248 1213 HA TRP 158 HA TRP 158 6.980 11.355 6.021 1214 1HB TRP 158 2HB TRP 158 5.696 10.621 3.379 1215 2HB TRP 158 1HB TRP 158 6.418 12.178 3.765 1216 HD1 TRP 158 HD1 TRP 158 7.536 8.463 3.845 1217 HE1 TRP 158 HE1 TRP 158 9.974 8.359 3.015 1218 HE3 TRP 158 HE3 TRP 158 8.423 13.425 3.072 1219 HZ2 TRP 158 HZ2 TRP 158 12.032 10.144 2.145 1220 HZ3 TRP 158 HZ3 TRP 158 10.625 14.201 2.243 1221 HH2 TRP 158 HH2 TRP 158 12.431 12.567 1.779 1222 H GLN 159 HN GLN 159 5.585 13.277 5.816 1223 HA GLN 159 HA GLN 159 2.668 12.746 6.065 1224 1HB GLN 159 2HB GLN 159 4.474 14.039 8.092 1225 2HB GLN 159 1HB GLN 159 2.822 14.633 7.919 1226 1HG GLN 159 2HG GLN 159 2.001 12.284 8.208 1227 2HG GLN 159 1HG GLN 159 3.662 11.786 8.532 1228 1HE2 GLN 159 1HE2 GLN 159 1.757 14.656 9.622 1229 2HE2 GLN 159 2HE2 GLN 159 2.043 14.397 11.275 1230 H LYS 160 HN LYS 160 1.405 14.523 5.194 1231 HA LYS 160 HA LYS 160 2.869 16.270 3.403 1232 1HB LYS 160 2HB LYS 160 0.498 15.224 3.131 1233 2HB LYS 160 1HB LYS 160 -0.039 16.573 4.130 1234 1HG LYS 160 2HG LYS 160 1.495 17.924 2.372 1235 2HG LYS 160 1HG LYS 160 1.000 16.578 1.344 1236 1HD LYS 160 2HD LYS 160 -1.280 17.496 2.840 1237 2HD LYS 160 1HD LYS 160 -0.522 18.875 2.045 1238 1HE LYS 160 2HE LYS 160 -0.542 17.611 -0.102 1239 2HE LYS 160 1HE LYS 160 -1.388 16.294 0.709 1240 1HZ LYS 160 1HE LYS 160 -2.621 18.844 1.150 1241 2HZ LYS 160 2HE LYS 160 -3.306 17.386 0.610 1242 3HZ LYS 160 3HE LYS 160 -2.555 18.435 -0.494 1243 H LYS 161 HN LYS 161 3.675 18.237 3.930 1244 HA LYS 161 HA LYS 161 3.116 19.420 6.543 1245 1HB LYS 161 2HB LYS 161 4.665 20.585 4.209 1246 2HB LYS 161 1HB LYS 161 4.740 21.113 5.891 1247 1HG LYS 161 2HG LYS 161 5.421 18.292 5.038 1248 2HG LYS 161 1HG LYS 161 6.629 19.574 5.137 1249 1HD LYS 161 2HD LYS 161 4.811 18.882 7.452 1250 2HD LYS 161 1HD LYS 161 6.382 18.113 7.220 1251 1HE LYS 161 2HE LYS 161 7.426 19.896 8.108 1252 2HE LYS 161 1HE LYS 161 6.669 20.964 6.927 1253 1HZ LYS 161 1HE LYS 161 4.656 20.923 8.362 1254 2HZ LYS 161 2HE LYS 161 6.004 21.670 9.077 1255 3HZ LYS 161 3HE LYS 161 5.558 20.096 9.536 1256 H ALA 162 HN ALA 162 2.358 21.697 6.737 1257 HA ALA 162 HA ALA 162 0.808 22.774 4.474 1258 1HB ALA 162 1HB ALA 162 -1.189 22.950 6.231 1259 2HB ALA 162 2HB ALA 162 -0.429 21.497 6.879 1260 3HB ALA 162 3HB ALA 162 -0.996 21.526 5.209 1261 AH51 NDP 168 AH51 NDP 168 -5.749 -0.857 -9.529 1262 AH52 NDP 168 AH52 NDP 168 -5.942 -2.036 -8.227 1263 AH4* NDP 168 AH4* NDP 168 -7.576 -3.285 -9.700 1264 AH3* NDP 168 AH3* NDP 168 -7.153 -0.935 -11.560 1265 AHO3 NDP 168 AHO3 NDP 168 -6.224 -2.981 -12.096 1266 AH2* NDP 168 AH2* NDP 168 -9.479 -1.094 -12.111 1267 AH1* NDP 168 AH1* NDP 168 -10.366 -1.435 -9.508 1268 AH8 NDP 168 AH8 NDP 168 -7.423 0.956 -10.138 1269 AH61 NDP 168 AH61 NDP 168 -11.752 5.391 -9.985 1270 AH62 NDP 168 AH62 NDP 168 -10.042 5.056 -9.921 1271 AH2 NDP 168 AH2 NDP 168 -13.829 1.413 -9.747 1272 NH51 NDP 168 NH51 NDP 168 -1.462 -5.159 -9.817 1273 NH52 NDP 168 NH52 NDP 168 -1.337 -4.190 -8.343 1274 NH4* NDP 168 NH4* NDP 168 0.923 -5.741 -9.700 1275 NH3* NDP 168 NH3* NDP 168 -0.594 -6.292 -7.137 1276 NHO3 NDP 168 NHO3 NDP 168 -0.503 -7.415 -9.523 1277 NH2* NDP 168 NH2* NDP 168 1.448 -7.231 -6.285 1278 NHO2 NDP 168 NHO2 NDP 168 3.023 -7.982 -7.507 1279 NH1* NDP 168 NH1* NDP 168 3.092 -5.215 -7.272 1280 NH2 NDP 168 NH2 NDP 168 3.615 -3.868 -5.370 1281 NH71 NDP 168 NH71 NDP 168 5.011 -3.254 -4.611 1282 NH72 NDP 168 NH72 NDP 168 5.483 -2.421 -3.151 1283 NH41 NDP 168 NH41 NDP 168 0.496 -2.610 -3.247 1284 NH42 NDP 168 NH42 NDP 168 0.994 -4.104 -2.384 1285 NH5 NDP 168 NH5 NDP 168 -1.050 -4.487 -3.747 1286 NH6 NDP 168 NH6 NDP 168 -0.356 -5.601 -5.924 1287 H1 TRR 170 H1 TRR 170 4.481 -5.309 1.632 1288 1H2 TRR 170 1H2 TRR 170 4.671 -1.880 2.573 1289 2H2 TRR 170 2H2 TRR 170 5.497 -3.376 2.599 1290 1H4 TRR 170 1H4 TRR 170 -0.398 -2.960 -0.125 1291 2H4 TRR 170 2H4 TRR 170 0.320 -1.579 0.562 1292 H6 TRR 170 H6 TRR 170 2.689 -6.452 0.491 1293 1H7 TRR 170 1H7 TRR 170 0.275 -4.847 -1.332 1294 2H7 TRR 170 2H7 TRR 170 -0.559 -5.042 0.206 1295 H12 TRR 170 H12 TRR 170 1.122 -6.705 -2.507 1296 H16 TRR 170 H16 TRR 170 -0.178 -7.109 1.584 1297 1H17 TRR 170 1H17 TRR 170 1.974 -9.097 -4.923 1298 2H17 TRR 170 2H17 TRR 170 2.540 -7.848 -3.823 1299 3H17 TRR 170 3H17 TRR 170 0.857 -7.876 -4.329 1300 1H18 TRR 170 1H18 TRR 170 1.906 -12.459 -0.027 1301 2H18 TRR 170 2H18 TRR 170 2.643 -10.866 0.062 1302 3H18 TRR 170 3H18 TRR 170 2.530 -11.697 -1.482 1303 1H19 TRR 170 1H19 TRR 170 0.362 -9.164 3.546 1304 2H19 TRR 170 2H19 TRR 170 -1.244 -9.833 3.321 1305 3H19 TRR 170 3H19 TRR 170 -0.866 -8.233 2.715 Start of MODEL 18 1 1H THR 1 1H THR 1 -6.604 10.442 2.763 2 2H THR 1 2H THR 1 -5.054 11.125 2.627 3 3H THR 1 3H THR 1 -5.417 10.085 3.921 4 HA THR 1 HA THR 1 -5.651 8.224 2.437 5 HB THR 1 HB THR 1 -4.790 10.084 0.224 6 HG1 THR 1 HG1 THR 1 -6.803 10.772 0.788 7 1HG2 THR 1 1HG2 THR 1 -5.032 7.260 0.512 8 2HG2 THR 1 2HG2 THR 1 -4.615 8.171 -0.939 9 3HG2 THR 1 3HG2 THR 1 -6.301 7.794 -0.589 10 H ALA 2 HN ALA 2 -3.842 6.973 2.550 11 HA ALA 2 HA ALA 2 -1.205 8.371 2.409 12 1HB ALA 2 1HB ALA 2 -1.812 6.048 4.251 13 2HB ALA 2 2HB ALA 2 -1.952 7.730 4.762 14 3HB ALA 2 3HB ALA 2 -0.387 7.088 4.260 15 H PHE 3 HN PHE 3 0.547 7.041 1.636 16 HA PHE 3 HA PHE 3 -0.394 4.743 -0.031 17 1HB PHE 3 2HB PHE 3 1.837 6.744 -0.309 18 2HB PHE 3 1HB PHE 3 1.968 5.179 -1.103 19 HD1 PHE 3 HD1 PHE 3 -1.467 6.175 -0.783 20 HD2 PHE 3 HD2 PHE 3 2.060 6.776 -3.161 21 HE1 PHE 3 HE1 PHE 3 -2.861 7.005 -2.654 22 HE2 PHE 3 HE2 PHE 3 0.659 7.598 -5.028 23 HZ PHE 3 HZ PHE 3 -1.802 7.713 -4.774 24 H LEU 4 HN LEU 4 0.402 2.687 0.480 25 HA LEU 4 HA LEU 4 2.765 2.607 2.313 26 1HB LEU 4 2HB LEU 4 0.914 2.205 3.761 27 2HB LEU 4 1HB LEU 4 0.118 1.169 2.579 28 HG LEU 4 HG LEU 4 1.907 -0.511 2.827 29 1HD1 LEU 4 1HD1 LEU 4 3.440 -0.088 4.897 30 2HD1 LEU 4 2HD1 LEU 4 3.040 1.610 4.647 31 3HD1 LEU 4 3HD1 LEU 4 3.852 0.699 3.374 32 1HD2 LEU 4 1HD2 LEU 4 1.132 0.162 5.641 33 2HD2 LEU 4 2HD2 LEU 4 1.082 -1.390 4.809 34 3HD2 LEU 4 3HD2 LEU 4 -0.147 -0.170 4.474 35 H TRP 5 HN TRP 5 4.234 1.853 0.747 36 HA TRP 5 HA TRP 5 3.673 -0.895 -0.229 37 1HB TRP 5 2HB TRP 5 4.397 -0.431 -2.468 38 2HB TRP 5 1HB TRP 5 3.167 0.760 -2.064 39 HD1 TRP 5 HD1 TRP 5 6.572 0.469 -3.396 40 HE1 TRP 5 HE1 TRP 5 7.711 2.780 -3.509 41 HE3 TRP 5 HE3 TRP 5 3.348 3.185 -0.510 42 HZ2 TRP 5 HZ2 TRP 5 7.308 5.425 -2.506 43 HZ3 TRP 5 HZ3 TRP 5 3.751 5.597 -0.106 44 HH2 TRP 5 HH2 TRP 5 5.726 6.720 -1.100 45 H ALA 6 HN ALA 6 5.793 -1.883 -1.126 46 HA ALA 6 HA ALA 6 8.110 -0.891 0.495 47 1HB ALA 6 1HB ALA 6 6.755 -3.145 1.108 48 2HB ALA 6 2HB ALA 6 8.493 -2.987 1.360 49 3HB ALA 6 3HB ALA 6 7.882 -3.803 -0.078 50 H GLN 7 HN GLN 7 9.119 0.095 -1.319 51 HA GLN 7 HA GLN 7 9.597 -1.610 -3.691 52 1HB GLN 7 2HB GLN 7 10.506 0.500 -4.682 53 2HB GLN 7 1HB GLN 7 8.833 0.642 -4.150 54 1HG GLN 7 2HG GLN 7 9.347 2.157 -2.542 55 2HG GLN 7 1HG GLN 7 10.792 1.275 -2.049 56 1HE2 GLN 7 1HE2 GLN 7 12.782 1.618 -3.398 57 2HE2 GLN 7 2HE2 GLN 7 12.959 3.068 -4.263 58 H ASP 8 HN ASP 8 11.723 -1.953 -4.542 59 HA ASP 8 HA ASP 8 13.749 -2.276 -2.454 60 1HB ASP 8 2HB ASP 8 15.089 -3.334 -4.257 61 2HB ASP 8 1HB ASP 8 13.475 -4.030 -4.143 62 H ARG 9 HN ARG 9 16.115 -1.786 -3.909 63 HA ARG 9 HA ARG 9 16.488 0.992 -3.425 64 1HB ARG 9 2HB ARG 9 18.648 0.688 -4.670 65 2HB ARG 9 1HB ARG 9 18.391 -0.494 -3.389 66 1HG ARG 9 2HG ARG 9 18.885 -2.018 -5.002 67 2HG ARG 9 1HG ARG 9 17.220 -1.759 -5.516 68 1HD ARG 9 2HD ARG 9 17.941 -0.927 -7.475 69 2HD ARG 9 1HD ARG 9 18.831 0.334 -6.626 70 HE ARG 9 HE ARG 9 19.951 -2.180 -7.665 71 1HH1 ARG 9 1HH1 ARG 9 20.328 0.573 -5.575 72 2HH1 ARG 9 2HH1 ARG 9 22.050 0.431 -5.512 73 1HH2 ARG 9 1HH2 ARG 9 22.187 -2.347 -7.569 74 2HH2 ARG 9 2HH2 ARG 9 23.097 -1.210 -6.632 75 H ASP 10 HN ASP 10 15.969 -0.743 -6.524 76 HA ASP 10 HA ASP 10 16.152 1.662 -8.116 77 1HB ASP 10 2HB ASP 10 15.534 -1.179 -8.544 78 2HB ASP 10 1HB ASP 10 14.622 -0.098 -9.599 79 H GLY 11 HN GLY 11 13.524 -0.017 -6.500 80 1HA GLY 11 2HA GLY 11 11.619 1.419 -5.750 81 2HA GLY 11 1HA GLY 11 11.723 2.238 -7.305 82 H LEU 12 HN LEU 12 11.853 -1.262 -6.730 83 HA LEU 12 HA LEU 12 9.663 -1.640 -8.678 84 1HB LEU 12 2HB LEU 12 11.694 -3.069 -8.780 85 2HB LEU 12 1HB LEU 12 11.355 -3.648 -7.150 86 HG LEU 12 HG LEU 12 9.149 -4.510 -7.969 87 1HD1 LEU 12 1HD1 LEU 12 10.186 -3.242 -10.455 88 2HD1 LEU 12 2HD1 LEU 12 8.529 -3.406 -9.881 89 3HD1 LEU 12 3HD1 LEU 12 9.337 -4.777 -10.637 90 1HD2 LEU 12 1HD2 LEU 12 11.352 -5.838 -7.894 91 2HD2 LEU 12 2HD2 LEU 12 11.417 -5.602 -9.640 92 3HD2 LEU 12 3HD2 LEU 12 10.071 -6.485 -8.920 93 H ILE 13 HN ILE 13 7.806 -3.110 -8.044 94 HA ILE 13 HA ILE 13 7.318 -3.064 -5.105 95 HB ILE 13 HB ILE 13 4.818 -2.757 -5.780 96 1HG1 ILE 13 2HG1 ILE 13 5.471 -0.938 -7.904 97 2HG1 ILE 13 1HG1 ILE 13 6.045 -2.544 -8.338 98 1HG2 ILE 13 1HG2 ILE 13 6.599 -1.138 -4.672 99 2HG2 ILE 13 2HG2 ILE 13 5.013 -0.541 -5.159 100 3HG2 ILE 13 3HG2 ILE 13 6.415 -0.264 -6.193 101 1HD1 ILE 13 1HD1 ILE 13 3.935 -3.408 -8.467 102 2HD1 ILE 13 2HD1 ILE 13 3.478 -1.722 -8.703 103 3HD1 ILE 13 3HD1 ILE 13 3.354 -2.453 -7.102 104 H GLY 14 HN GLY 14 5.644 -4.338 -8.039 105 1HA GLY 14 2HA GLY 14 6.164 -7.084 -7.110 106 2HA GLY 14 1HA GLY 14 4.475 -6.582 -7.040 107 H LYS 15 HN LYS 15 5.777 -8.629 -8.782 108 HA LYS 15 HA LYS 15 4.906 -7.467 -11.393 109 1HB LYS 15 2HB LYS 15 7.447 -7.745 -11.106 110 2HB LYS 15 1HB LYS 15 7.142 -9.482 -11.149 111 1HG LYS 15 2HG LYS 15 5.777 -8.918 -13.317 112 2HG LYS 15 1HG LYS 15 6.738 -7.439 -13.317 113 1HD LYS 15 2HD LYS 15 8.425 -8.586 -14.266 114 2HD LYS 15 1HD LYS 15 8.552 -9.546 -12.793 115 1HE LYS 15 2HE LYS 15 8.000 -11.315 -14.094 116 2HE LYS 15 1HE LYS 15 6.361 -10.665 -14.061 117 1HZ LYS 15 1HE LYS 15 7.093 -9.257 -16.014 118 2HZ LYS 15 2HE LYS 15 6.882 -10.916 -16.311 119 3HZ LYS 15 3HE LYS 15 8.444 -10.275 -16.124 120 H ASP 16 HN ASP 16 3.579 -8.773 -12.591 121 HA ASP 16 HA ASP 16 2.077 -10.510 -13.010 122 1HB ASP 16 2HB ASP 16 4.708 -11.779 -12.428 123 2HB ASP 16 1HB ASP 16 3.301 -12.839 -12.527 124 H GLY 17 HN GLY 17 1.319 -9.451 -10.617 125 1HA GLY 17 2HA GLY 17 -0.051 -10.059 -8.826 126 2HA GLY 17 1HA GLY 17 0.159 -11.740 -9.298 127 H HIS 18 HN HIS 18 2.187 -12.801 -8.600 128 HA HIS 18 HA HIS 18 2.646 -12.567 -5.842 129 1HB HIS 18 2HB HIS 18 4.688 -13.941 -6.247 130 2HB HIS 18 1HB HIS 18 3.266 -14.568 -7.079 131 HD1 HIS 18 HD1 HIS 18 6.595 -12.991 -7.687 132 HD2 HIS 18 HD2 HIS 18 3.303 -14.216 -9.931 133 HE1 HIS 18 HE1 HIS 18 7.333 -12.975 -10.110 134 H LEU 19 HN LEU 19 5.221 -12.374 -5.181 135 HA LEU 19 HA LEU 19 5.995 -9.592 -5.965 136 1HB LEU 19 2HB LEU 19 5.989 -11.046 -3.347 137 2HB LEU 19 1HB LEU 19 7.278 -9.878 -3.636 138 HG LEU 19 HG LEU 19 4.410 -9.140 -4.179 139 1HD1 LEU 19 1HD1 LEU 19 5.769 -8.626 -1.534 140 2HD1 LEU 19 2HD1 LEU 19 4.797 -10.075 -1.793 141 3HD1 LEU 19 3HD1 LEU 19 4.058 -8.481 -1.937 142 1HD2 LEU 19 1HD2 LEU 19 5.700 -7.394 -4.932 143 2HD2 LEU 19 2HD2 LEU 19 7.051 -7.798 -3.872 144 3HD2 LEU 19 3HD2 LEU 19 5.651 -6.937 -3.229 145 HA PRO 20 HA PRO 20 9.881 -11.286 -7.286 146 1HB PRO 20 2HB PRO 20 11.422 -8.978 -6.690 147 2HB PRO 20 1HB PRO 20 10.628 -9.363 -8.225 148 1HG PRO 20 2HG PRO 20 9.966 -7.266 -6.478 149 2HG PRO 20 1HG PRO 20 9.017 -7.828 -7.860 150 1HD PRO 20 2HD PRO 20 8.620 -8.346 -4.966 151 2HD PRO 20 1HD PRO 20 7.435 -8.341 -6.292 152 H TRP 21 HN TRP 21 9.959 -9.538 -4.184 153 HA TRP 21 HA TRP 21 12.158 -11.357 -3.299 154 1HB TRP 21 2HB TRP 21 12.582 -9.591 -1.572 155 2HB TRP 21 1HB TRP 21 12.773 -8.999 -3.223 156 HD1 TRP 21 HD1 TRP 21 10.221 -8.990 -0.343 157 HE1 TRP 21 HE1 TRP 21 8.664 -6.958 -0.634 158 HE3 TRP 21 HE3 TRP 21 11.909 -7.222 -4.832 159 HZ2 TRP 21 HZ2 TRP 21 8.192 -4.866 -2.517 160 HZ3 TRP 21 HZ3 TRP 21 10.885 -5.204 -5.849 161 HH2 TRP 21 HH2 TRP 21 9.032 -4.025 -4.696 162 H HIS 22 HN HIS 22 11.768 -12.712 -1.591 163 HA HIS 22 HA HIS 22 9.061 -12.666 -0.385 164 1HB HIS 22 2HB HIS 22 10.293 -14.796 -1.222 165 2HB HIS 22 1HB HIS 22 11.245 -14.653 0.256 166 HD1 HIS 22 HD1 HIS 22 7.594 -14.866 -0.815 167 HD2 HIS 22 HD2 HIS 22 9.983 -15.685 2.501 168 HE1 HIS 22 HE1 HIS 22 6.096 -15.998 0.885 169 H LEU 23 HN LEU 23 9.095 -10.972 1.123 170 HA LEU 23 HA LEU 23 11.158 -11.203 3.276 171 1HB LEU 23 2HB LEU 23 11.458 -9.192 1.801 172 2HB LEU 23 1HB LEU 23 9.859 -8.644 2.302 173 HG LEU 23 HG LEU 23 10.676 -8.766 4.698 174 1HD1 LEU 23 1HD1 LEU 23 12.920 -9.137 5.197 175 2HD1 LEU 23 2HD1 LEU 23 13.453 -8.719 3.569 176 3HD1 LEU 23 3HD1 LEU 23 12.671 -10.269 3.870 177 1HD2 LEU 23 1HD2 LEU 23 12.561 -6.862 3.491 178 2HD2 LEU 23 2HD2 LEU 23 11.174 -6.555 4.536 179 3HD2 LEU 23 3HD2 LEU 23 10.943 -6.761 2.800 180 HA PRO 24 HA PRO 24 7.269 -11.909 5.525 181 1HB PRO 24 2HB PRO 24 8.812 -12.728 7.781 182 2HB PRO 24 1HB PRO 24 7.909 -13.753 6.659 183 1HG PRO 24 2HG PRO 24 10.726 -13.533 6.925 184 2HG PRO 24 1HG PRO 24 9.819 -14.487 5.744 185 1HD PRO 24 2HD PRO 24 11.286 -12.017 5.340 186 2HD PRO 24 1HD PRO 24 10.560 -13.090 4.135 187 H ASP 25 HN ASP 25 10.203 -10.298 6.705 188 HA ASP 25 HA ASP 25 8.981 -8.962 8.929 189 1HB ASP 25 2HB ASP 25 11.519 -9.217 8.189 190 2HB ASP 25 1HB ASP 25 11.210 -7.667 7.404 191 H ASP 26 HN ASP 26 9.035 -8.286 5.488 192 HA ASP 26 HA ASP 26 8.158 -5.525 5.753 193 1HB ASP 26 2HB ASP 26 9.291 -6.143 3.718 194 2HB ASP 26 1HB ASP 26 8.167 -7.467 3.425 195 H LEU 27 HN LEU 27 6.560 -8.659 5.163 196 HA LEU 27 HA LEU 27 3.928 -7.722 4.734 197 1HB LEU 27 2HB LEU 27 4.853 -10.206 6.212 198 2HB LEU 27 1HB LEU 27 3.204 -9.925 5.652 199 HG LEU 27 HG LEU 27 5.511 -9.733 3.730 200 1HD1 LEU 27 1HD1 LEU 27 5.961 -11.923 4.053 201 2HD1 LEU 27 2HD1 LEU 27 4.372 -12.256 3.364 202 3HD1 LEU 27 3HD1 LEU 27 4.566 -12.126 5.112 203 1HD2 LEU 27 1HD2 LEU 27 2.571 -9.760 3.657 204 2HD2 LEU 27 2HD2 LEU 27 3.308 -10.863 2.495 205 3HD2 LEU 27 3HD2 LEU 27 3.718 -9.149 2.465 206 H HIS 28 HN HIS 28 5.569 -8.508 7.809 207 HA HIS 28 HA HIS 28 3.436 -7.904 9.568 208 1HB HIS 28 2HB HIS 28 6.415 -7.467 9.959 209 2HB HIS 28 1HB HIS 28 5.215 -7.444 11.252 210 HD1 HIS 28 HD1 HIS 28 3.484 -9.837 10.525 211 HD2 HIS 28 HD2 HIS 28 7.646 -9.925 10.322 212 HE1 HIS 28 HE1 HIS 28 4.156 -12.275 10.665 213 H TYR 29 HN TYR 29 5.830 -5.781 8.036 214 HA TYR 29 HA TYR 29 5.083 -3.378 9.410 215 1HB TYR 29 2HB TYR 29 7.154 -3.715 7.979 216 2HB TYR 29 1HB TYR 29 6.109 -3.559 6.565 217 HD1 TYR 29 HD1 TYR 29 7.127 -1.811 9.707 218 HD2 TYR 29 HD2 TYR 29 5.489 -1.432 5.754 219 HE1 TYR 29 HE1 TYR 29 7.229 0.660 9.901 220 HE2 TYR 29 HE2 TYR 29 5.592 1.038 5.948 221 HH TYR 29 HH TYR 29 5.593 2.730 7.889 222 H PHE 30 HN PHE 30 3.803 -5.019 6.568 223 HA PHE 30 HA PHE 30 2.090 -2.881 5.688 224 1HB PHE 30 2HB PHE 30 2.700 -4.855 4.278 225 2HB PHE 30 1HB PHE 30 1.687 -5.865 5.312 226 HD1 PHE 30 HD1 PHE 30 1.574 -2.753 3.239 227 HD2 PHE 30 HD2 PHE 30 -0.605 -6.078 4.853 228 HE1 PHE 30 HE1 PHE 30 -0.432 -2.058 1.959 229 HE2 PHE 30 HE2 PHE 30 -2.612 -5.385 3.571 230 HZ PHE 30 HZ PHE 30 -2.522 -3.377 2.121 231 H ARG 31 HN ARG 31 1.458 -5.761 7.715 232 HA ARG 31 HA ARG 31 -1.294 -5.149 8.221 233 1HB ARG 31 2HB ARG 31 -0.216 -7.370 8.630 234 2HB ARG 31 1HB ARG 31 0.646 -6.663 9.996 235 1HG ARG 31 2HG ARG 31 -1.777 -5.923 10.744 236 2HG ARG 31 1HG ARG 31 -2.277 -7.258 9.704 237 1HD ARG 31 2HD ARG 31 -1.978 -8.102 11.966 238 2HD ARG 31 1HD ARG 31 -0.698 -8.749 10.944 239 HE ARG 31 HE ARG 31 -0.277 -6.393 12.741 240 1HH1 ARG 31 1HH2 ARG 31 0.744 -9.404 11.314 241 2HH1 ARG 31 2HH2 ARG 31 2.290 -9.370 12.085 242 1HH2 ARG 31 1HH1 ARG 31 1.738 -6.380 13.730 243 2HH2 ARG 31 2HH1 ARG 31 2.850 -7.675 13.441 244 H ALA 32 HN ALA 32 1.512 -4.778 10.400 245 HA ALA 32 HA ALA 32 0.322 -3.356 12.470 246 1HB ALA 32 1HB ALA 32 2.454 -2.843 13.171 247 2HB ALA 32 2HB ALA 32 2.987 -2.380 11.554 248 3HB ALA 32 3HB ALA 32 2.844 -4.085 11.981 249 H GLN 33 HN GLN 33 1.502 -2.017 9.388 250 HA GLN 33 HA GLN 33 0.913 0.721 10.137 251 1HB GLN 33 2HB GLN 33 1.789 -0.697 7.671 252 2HB GLN 33 1HB GLN 33 1.028 0.877 7.461 253 1HG GLN 33 2HG GLN 33 3.397 0.294 9.265 254 2HG GLN 33 1HG GLN 33 3.477 1.101 7.700 255 1HE2 GLN 33 1HE2 GLN 33 0.967 2.652 8.120 256 2HE2 GLN 33 2HE2 GLN 33 1.336 3.838 9.275 257 H THR 34 HN THR 34 -1.097 -1.859 9.054 258 HA THR 34 HA THR 34 -3.200 0.157 8.355 259 HB THR 34 HB THR 34 -4.223 -1.648 6.928 260 HG1 THR 34 HG1 THR 34 -2.144 -3.032 8.019 261 1HG2 THR 34 1HG2 THR 34 -3.106 -0.076 5.650 262 2HG2 THR 34 2HG2 THR 34 -2.212 -1.535 5.224 263 3HG2 THR 34 3HG2 THR 34 -1.550 -0.409 6.409 264 H VAL 35 HN VAL 35 -2.541 -1.126 11.006 265 HA VAL 35 HA VAL 35 -4.785 -2.949 11.486 266 HB VAL 35 HB VAL 35 -4.085 -2.706 13.902 267 1HG1 VAL 35 1HG1 VAL 35 -1.528 -3.409 12.783 268 2HG1 VAL 35 2HG1 VAL 35 -2.808 -4.020 11.737 269 3HG1 VAL 35 3HG1 VAL 35 -2.772 -4.469 13.442 270 1HG2 VAL 35 1HG2 VAL 35 -1.500 -1.542 13.290 271 2HG2 VAL 35 2HG2 VAL 35 -2.664 -1.069 14.524 272 3HG2 VAL 35 3HG2 VAL 35 -2.794 -0.413 12.894 273 H GLY 36 HN GLY 36 -6.812 -2.167 11.625 274 1HA GLY 36 2HA GLY 36 -8.596 -0.867 12.464 275 2HA GLY 36 1HA GLY 36 -7.428 0.049 13.415 276 H LYS 37 HN LYS 37 -6.571 -0.148 10.105 277 HA LYS 37 HA LYS 37 -7.700 2.591 9.659 278 1HB LYS 37 2HB LYS 37 -5.075 1.377 8.757 279 2HB LYS 37 1HB LYS 37 -5.705 2.901 8.131 280 1HG LYS 37 2HG LYS 37 -5.886 3.643 10.587 281 2HG LYS 37 1HG LYS 37 -4.868 2.251 10.959 282 1HD LYS 37 2HD LYS 37 -3.350 3.216 9.033 283 2HD LYS 37 1HD LYS 37 -4.195 4.722 9.394 284 1HE LYS 37 2HE LYS 37 -2.650 5.001 11.027 285 2HE LYS 37 1HE LYS 37 -3.556 3.773 11.911 286 1HZ LYS 37 1HE LYS 37 -1.509 2.819 11.896 287 2HZ LYS 37 2HE LYS 37 -1.050 3.528 10.422 288 3HZ LYS 37 3HE LYS 37 -2.096 2.189 10.435 289 H ILE 38 HN ILE 38 -8.118 3.092 7.312 290 HA ILE 38 HA ILE 38 -9.480 0.838 6.037 291 HB ILE 38 HB ILE 38 -8.989 3.615 4.921 292 1HG1 ILE 38 2HG1 ILE 38 -11.299 2.563 6.589 293 2HG1 ILE 38 1HG1 ILE 38 -10.103 3.746 7.115 294 1HG2 ILE 38 1HG2 ILE 38 -10.974 3.109 3.562 295 2HG2 ILE 38 2HG2 ILE 38 -11.110 1.527 4.329 296 3HG2 ILE 38 3HG2 ILE 38 -9.726 1.891 3.298 297 1HD1 ILE 38 1HD1 ILE 38 -10.821 5.272 5.306 298 2HD1 ILE 38 2HD1 ILE 38 -12.159 4.879 6.385 299 3HD1 ILE 38 3HD1 ILE 38 -12.039 4.098 4.809 300 H MET 39 HN MET 39 -8.460 -0.571 4.694 301 HA MET 39 HA MET 39 -5.878 0.274 3.463 302 1HB MET 39 2HB MET 39 -5.916 -1.805 4.859 303 2HB MET 39 1HB MET 39 -7.056 -2.510 3.713 304 1HG MET 39 2HG MET 39 -5.261 -1.878 1.922 305 2HG MET 39 1HG MET 39 -4.162 -1.797 3.299 306 1HE MET 39 1HE MET 39 -7.064 -3.470 1.963 307 2HE MET 39 2HE MET 39 -7.039 -5.129 2.556 308 3HE MET 39 3HE MET 39 -6.243 -4.733 1.037 309 H VAL 40 HN VAL 40 -6.196 1.097 1.425 310 HA VAL 40 HA VAL 40 -8.447 0.101 -0.201 311 HB VAL 40 HB VAL 40 -6.384 2.212 -0.884 312 1HG1 VAL 40 1HG1 VAL 40 -9.117 1.529 -2.008 313 2HG1 VAL 40 2HG1 VAL 40 -7.569 1.342 -2.831 314 3HG1 VAL 40 3HG1 VAL 40 -8.180 2.953 -2.458 315 1HG2 VAL 40 1HG2 VAL 40 -8.484 3.686 -0.298 316 2HG2 VAL 40 2HG2 VAL 40 -7.438 3.111 1.000 317 3HG2 VAL 40 3HG2 VAL 40 -8.960 2.287 0.664 318 H VAL 41 HN VAL 41 -8.163 -1.626 -1.441 319 HA VAL 41 HA VAL 41 -5.569 -1.985 -2.867 320 HB VAL 41 HB VAL 41 -5.988 -4.494 -2.590 321 1HG1 VAL 41 1HG1 VAL 41 -5.508 -2.987 -0.009 322 2HG1 VAL 41 2HG1 VAL 41 -4.310 -3.097 -1.298 323 3HG1 VAL 41 3HG1 VAL 41 -4.855 -4.556 -0.473 324 1HG2 VAL 41 1HG2 VAL 41 -7.368 -5.099 -0.598 325 2HG2 VAL 41 2HG2 VAL 41 -8.330 -4.370 -1.884 326 3HG2 VAL 41 3HG2 VAL 41 -7.878 -3.415 -0.472 327 H GLY 42 HN GLY 42 -5.877 -2.274 -5.041 328 1HA GLY 42 2HA GLY 42 -8.503 -2.074 -6.181 329 2HA GLY 42 1HA GLY 42 -7.034 -2.453 -7.075 330 H ARG 43 HN ARG 43 -9.610 -3.685 -7.482 331 HA ARG 43 HA ARG 43 -10.046 -6.157 -6.262 332 1HB ARG 43 2HB ARG 43 -11.530 -5.149 -7.972 333 2HB ARG 43 1HB ARG 43 -10.336 -5.525 -9.214 334 1HG ARG 43 2HG ARG 43 -11.054 -7.826 -7.522 335 2HG ARG 43 1HG ARG 43 -12.399 -7.189 -8.469 336 1HD ARG 43 2HD ARG 43 -9.682 -7.893 -9.618 337 2HD ARG 43 1HD ARG 43 -11.097 -8.944 -9.685 338 HE ARG 43 HE ARG 43 -11.582 -6.277 -10.775 339 1HH1 ARG 43 1HH2 ARG 43 -10.440 -9.499 -11.393 340 2HH1 ARG 43 2HH2 ARG 43 -10.759 -9.411 -13.091 341 1HH2 ARG 43 1HH1 ARG 43 -11.981 -6.176 -12.989 342 2HH2 ARG 43 2HH1 ARG 43 -11.623 -7.542 -13.990 343 H ARG 44 HN ARG 44 -7.370 -5.277 -8.316 344 HA ARG 44 HA ARG 44 -6.732 -8.019 -9.085 345 1HB ARG 44 2HB ARG 44 -5.336 -5.358 -9.308 346 2HB ARG 44 1HB ARG 44 -4.475 -6.855 -9.669 347 1HG ARG 44 2HG ARG 44 -7.167 -6.321 -10.903 348 2HG ARG 44 1HG ARG 44 -5.712 -5.620 -11.610 349 1HD ARG 44 2HD ARG 44 -4.990 -7.621 -12.405 350 2HD ARG 44 1HD ARG 44 -5.465 -8.480 -10.940 351 HE ARG 44 HE ARG 44 -7.870 -7.855 -12.192 352 1HH1 ARG 44 1HH1 ARG 44 -4.940 -9.510 -13.042 353 2HH1 ARG 44 2HH1 ARG 44 -5.729 -10.584 -14.145 354 1HH2 ARG 44 1HH2 ARG 44 -8.884 -9.255 -13.630 355 2HH2 ARG 44 2HH2 ARG 44 -7.950 -10.443 -14.477 356 H THR 45 HN THR 45 -5.423 -5.658 -6.735 357 HA THR 45 HA THR 45 -3.494 -7.523 -5.645 358 HB THR 45 HB THR 45 -4.637 -5.176 -4.133 359 HG1 THR 45 HG1 THR 45 -2.786 -5.189 -6.278 360 1HG2 THR 45 1HG2 THR 45 -2.911 -6.833 -3.182 361 2HG2 THR 45 2HG2 THR 45 -2.504 -5.119 -3.095 362 3HG2 THR 45 3HG2 THR 45 -1.782 -6.134 -4.343 363 H TYR 46 HN TYR 46 -6.696 -6.376 -4.507 364 HA TYR 46 HA TYR 46 -6.843 -7.899 -2.137 365 1HB TYR 46 2HB TYR 46 -8.507 -6.168 -2.892 366 2HB TYR 46 1HB TYR 46 -9.138 -7.346 -4.042 367 HD1 TYR 46 HD1 TYR 46 -10.626 -9.067 -3.353 368 HD2 TYR 46 HD2 TYR 46 -8.554 -6.716 -0.417 369 HE1 TYR 46 HE1 TYR 46 -12.032 -10.059 -1.568 370 HE2 TYR 46 HE2 TYR 46 -9.960 -7.707 1.369 371 HH TYR 46 HH TYR 46 -11.311 -9.654 1.774 372 H GLU 47 HN GLU 47 -7.717 -8.822 -5.468 373 HA GLU 47 HA GLU 47 -8.570 -11.490 -4.741 374 1HB GLU 47 2HB GLU 47 -7.846 -10.134 -7.335 375 2HB GLU 47 1HB GLU 47 -8.159 -11.870 -7.282 376 1HG GLU 47 HG2 GLU 47 -10.288 -10.960 -5.862 377 2HG GLU 47 HG1 GLU 47 -10.040 -9.600 -6.958 378 H SER 48 HN SER 48 -5.496 -10.010 -5.086 379 HA SER 48 HA SER 48 -4.146 -12.611 -5.571 380 1HB SER 48 2HB SER 48 -3.427 -10.536 -6.812 381 2HB SER 48 1HB SER 48 -2.898 -9.866 -5.272 382 HG SER 48 HG SER 48 -2.042 -12.358 -6.333 383 H PHE 49 HN PHE 49 -4.894 -10.385 -3.005 384 HA PHE 49 HA PHE 49 -2.840 -10.809 -1.150 385 1HB PHE 49 2HB PHE 49 -5.687 -10.089 -1.025 386 2HB PHE 49 1HB PHE 49 -5.111 -10.900 0.429 387 HD1 PHE 49 HD1 PHE 49 -4.782 -7.922 -1.706 388 HD2 PHE 49 HD2 PHE 49 -3.354 -9.906 1.821 389 HE1 PHE 49 HE1 PHE 49 -3.679 -5.829 -0.966 390 HE2 PHE 49 HE2 PHE 49 -2.257 -7.821 2.558 391 HZ PHE 49 HZ PHE 49 -2.416 -5.776 1.167 392 HA PRO 50 HA PRO 50 -3.164 -15.079 0.092 393 1HB PRO 50 2HB PRO 50 -2.113 -14.760 2.661 394 2HB PRO 50 1HB PRO 50 -1.168 -14.942 1.176 395 1HG PRO 50 2HG PRO 50 -1.378 -12.638 2.850 396 2HG PRO 50 1HG PRO 50 -0.460 -12.814 1.347 397 1HD PRO 50 2HD PRO 50 -3.063 -11.526 1.797 398 2HD PRO 50 1HD PRO 50 -1.927 -11.321 0.453 399 H LYS 51 HN LYS 51 -4.007 -12.935 2.857 400 HA LYS 51 HA LYS 51 -6.335 -14.748 3.376 401 1HB LYS 51 2HB LYS 51 -4.746 -13.123 5.385 402 2HB LYS 51 1HB LYS 51 -6.115 -14.171 5.756 403 1HG LYS 51 2HG LYS 51 -4.885 -16.125 4.965 404 2HG LYS 51 1HG LYS 51 -3.533 -15.105 4.471 405 1HD LYS 51 2HD LYS 51 -3.748 -14.319 7.041 406 2HD LYS 51 1HD LYS 51 -4.356 -15.967 7.196 407 1HE LYS 51 2HE LYS 51 -2.246 -16.561 5.727 408 2HE LYS 51 1HE LYS 51 -1.639 -15.024 6.344 409 1HZ LYS 51 1HE LYS 51 -1.076 -17.003 7.724 410 2HZ LYS 51 2HE LYS 51 -2.729 -17.168 8.080 411 3HZ LYS 51 3HE LYS 51 -1.888 -15.773 8.563 412 H ARG 52 HN ARG 52 -7.963 -13.568 2.363 413 HA ARG 52 HA ARG 52 -8.257 -10.717 3.206 414 1HB ARG 52 2HB ARG 52 -9.552 -12.077 0.828 415 2HB ARG 52 1HB ARG 52 -9.527 -10.351 1.184 416 1HG ARG 52 2HG ARG 52 -7.734 -10.353 -0.227 417 2HG ARG 52 1HG ARG 52 -6.866 -10.884 1.214 418 1HD ARG 52 2HD ARG 52 -6.394 -12.346 -0.738 419 2HD ARG 52 1HD ARG 52 -7.181 -13.228 0.571 420 HE ARG 52 HE ARG 52 -9.086 -12.168 -1.353 421 1HH1 ARG 52 1HH1 ARG 52 -6.874 -14.744 -0.629 422 2HH1 ARG 52 2HH1 ARG 52 -7.710 -15.895 -1.612 423 1HH2 ARG 52 1HH2 ARG 52 -10.164 -13.674 -2.630 424 2HH2 ARG 52 2HH2 ARG 52 -9.562 -15.295 -2.740 425 HA PRO 53 HA PRO 53 -9.441 -9.251 3.654 426 1HB PRO 53 2HB PRO 53 -10.801 -8.184 5.825 427 2HB PRO 53 1HB PRO 53 -11.352 -8.105 4.145 428 1HG PRO 53 2HG PRO 53 -12.506 -9.569 6.333 429 2HG PRO 53 1HG PRO 53 -13.095 -9.425 4.670 430 1HD PRO 53 2HD PRO 53 -11.641 -11.638 5.927 431 2HD PRO 53 1HD PRO 53 -12.547 -11.613 4.404 432 H LEU 54 HN LEU 54 -8.391 -7.876 5.523 433 HA LEU 54 HA LEU 54 -6.620 -9.645 6.988 434 1HB LEU 54 2HB LEU 54 -6.993 -6.641 7.107 435 2HB LEU 54 1HB LEU 54 -5.706 -7.521 7.933 436 HG LEU 54 HG LEU 54 -6.038 -8.106 5.042 437 1HD1 LEU 54 1HD1 LEU 54 -4.526 -6.026 4.634 438 2HD1 LEU 54 2HD1 LEU 54 -5.218 -5.423 6.140 439 3HD1 LEU 54 3HD1 LEU 54 -6.268 -5.783 4.767 440 1HD2 LEU 54 1HD2 LEU 54 -3.512 -7.354 6.492 441 2HD2 LEU 54 2HD2 LEU 54 -3.733 -8.492 5.163 442 3HD2 LEU 54 3HD2 LEU 54 -4.256 -8.925 6.791 443 HA PRO 55 HA PRO 55 -8.924 -10.431 10.673 444 1HB PRO 55 2HB PRO 55 -6.531 -10.225 12.291 445 2HB PRO 55 1HB PRO 55 -7.450 -11.669 11.847 446 1HG PRO 55 2HG PRO 55 -4.925 -10.836 10.847 447 2HG PRO 55 1HG PRO 55 -5.880 -12.240 10.355 448 1HD PRO 55 2HD PRO 55 -5.376 -9.866 8.858 449 2HD PRO 55 1HD PRO 55 -6.386 -11.245 8.399 450 H GLU 56 HN GLU 56 -10.097 -8.975 11.792 451 HA GLU 56 HA GLU 56 -10.721 -6.969 12.840 452 1HB GLU 56 2HB GLU 56 -8.004 -7.588 13.994 453 2HB GLU 56 1HB GLU 56 -8.946 -6.201 14.544 454 1HG GLU 56 HG2 GLU 56 -10.857 -8.119 14.633 455 2HG GLU 56 HG1 GLU 56 -9.428 -9.100 14.962 456 H ARG 57 HN ARG 57 -9.834 -6.459 10.247 457 HA ARG 57 HA ARG 57 -8.702 -3.744 10.617 458 1HB ARG 57 2HB ARG 57 -7.573 -5.845 8.757 459 2HB ARG 57 1HB ARG 57 -7.189 -4.128 8.636 460 1HG ARG 57 2HG ARG 57 -6.159 -4.104 10.784 461 2HG ARG 57 1HG ARG 57 -6.827 -5.680 11.205 462 1HD ARG 57 2HD ARG 57 -5.339 -5.919 8.766 463 2HD ARG 57 1HD ARG 57 -4.330 -5.136 9.980 464 HE ARG 57 HE ARG 57 -5.172 -7.907 10.010 465 1HH1 ARG 57 1HH2 ARG 57 -4.446 -5.145 11.982 466 2HH1 ARG 57 2HH2 ARG 57 -3.988 -6.097 13.353 467 1HH2 ARG 57 1HH1 ARG 57 -4.577 -9.134 11.798 468 2HH2 ARG 57 2HH1 ARG 57 -4.061 -8.344 13.250 469 H THR 58 HN THR 58 -9.675 -2.267 9.284 470 HA THR 58 HA THR 58 -11.861 -3.222 7.567 471 HB THR 58 HB THR 58 -10.945 -0.360 7.914 472 HG1 THR 58 HG1 THR 58 -12.802 -1.787 9.508 473 1HG2 THR 58 1HG2 THR 58 -12.609 -0.243 6.346 474 2HG2 THR 58 2HG2 THR 58 -13.641 -0.323 7.774 475 3HG2 THR 58 3HG2 THR 58 -13.320 -1.781 6.835 476 H ASN 59 HN ASN 59 -11.543 -3.668 5.451 477 HA ASN 59 HA ASN 59 -9.350 -2.215 4.021 478 1HB ASN 59 2HB ASN 59 -10.244 -5.004 3.291 479 2HB ASN 59 1HB ASN 59 -8.740 -4.188 2.873 480 1HD2 ASN 59 1HD2 ASN 59 -8.171 -3.175 5.572 481 2HD2 ASN 59 2HD2 ASN 59 -7.775 -4.516 6.535 482 H VAL 60 HN VAL 60 -9.845 -1.583 1.849 483 HA VAL 60 HA VAL 60 -12.707 -1.956 1.069 484 HB VAL 60 HB VAL 60 -10.969 0.467 0.517 485 1HG1 VAL 60 1HG1 VAL 60 -12.661 1.211 -0.783 486 2HG1 VAL 60 2HG1 VAL 60 -13.877 0.751 0.409 487 3HG1 VAL 60 3HG1 VAL 60 -13.280 -0.439 -0.747 488 1HG2 VAL 60 1HG2 VAL 60 -13.261 0.217 2.486 489 2HG2 VAL 60 2HG2 VAL 60 -12.188 1.600 2.263 490 3HG2 VAL 60 3HG2 VAL 60 -11.564 0.102 2.955 491 H VAL 61 HN VAL 61 -13.033 -2.703 -1.011 492 HA VAL 61 HA VAL 61 -10.587 -3.196 -2.629 493 HB VAL 61 HB VAL 61 -13.379 -4.299 -3.045 494 1HG1 VAL 61 1HG1 VAL 61 -10.644 -4.865 -4.162 495 2HG1 VAL 61 2HG1 VAL 61 -12.171 -4.651 -5.020 496 3HG1 VAL 61 3HG1 VAL 61 -11.864 -6.138 -4.122 497 1HG2 VAL 61 1HG2 VAL 61 -12.992 -5.956 -1.524 498 2HG2 VAL 61 2HG2 VAL 61 -11.883 -4.785 -0.812 499 3HG2 VAL 61 3HG2 VAL 61 -11.270 -6.030 -1.899 500 H LEU 62 HN LEU 62 -10.515 -2.581 -4.835 501 HA LEU 62 HA LEU 62 -12.576 -0.567 -5.641 502 1HB LEU 62 2HB LEU 62 -9.740 -0.306 -5.405 503 2HB LEU 62 1HB LEU 62 -10.137 -0.241 -7.121 504 HG LEU 62 HG LEU 62 -11.837 1.502 -6.651 505 1HD1 LEU 62 1HD1 LEU 62 -10.756 1.308 -3.822 506 2HD1 LEU 62 2HD1 LEU 62 -12.378 0.853 -4.341 507 3HD1 LEU 62 3HD1 LEU 62 -11.876 2.541 -4.399 508 1HD2 LEU 62 1HD2 LEU 62 -8.946 1.815 -6.020 509 2HD2 LEU 62 2HD2 LEU 62 -9.993 3.159 -5.566 510 3HD2 LEU 62 3HD2 LEU 62 -9.922 2.625 -7.245 511 H THR 63 HN THR 63 -13.758 -1.238 -7.357 512 HA THR 63 HA THR 63 -12.447 -2.866 -9.467 513 HB THR 63 HB THR 63 -13.421 -4.504 -7.903 514 HG1 THR 63 HG1 THR 63 -13.635 -4.623 -10.314 515 1HG2 THR 63 1HG2 THR 63 -15.561 -4.366 -7.067 516 2HG2 THR 63 2HG2 THR 63 -16.181 -3.557 -8.504 517 3HG2 THR 63 3HG2 THR 63 -15.258 -2.646 -7.309 518 H HIS 64 HN HIS 64 -13.688 -2.900 -11.467 519 HA HIS 64 HA HIS 64 -15.433 -0.506 -11.729 520 1HB HIS 64 2HB HIS 64 -13.689 -2.073 -13.587 521 2HB HIS 64 1HB HIS 64 -15.090 -1.246 -14.268 522 HD1 HIS 64 HD1 HIS 64 -15.258 1.396 -13.195 523 HD2 HIS 64 HD2 HIS 64 -11.511 -0.393 -13.568 524 HE1 HIS 64 HE1 HIS 64 -13.561 3.276 -13.170 525 H GLN 65 HN GLN 65 -15.848 -3.708 -11.097 526 HA GLN 65 HA GLN 65 -17.959 -4.338 -13.005 527 1HB GLN 65 2HB GLN 65 -16.915 -5.631 -10.488 528 2HB GLN 65 1HB GLN 65 -18.388 -6.216 -11.263 529 1HG GLN 65 2HG GLN 65 -16.589 -7.515 -12.170 530 2HG GLN 65 1HG GLN 65 -17.051 -6.362 -13.423 531 1HE2 GLN 65 1HE2 GLN 65 -14.544 -7.132 -11.031 532 2HE2 GLN 65 2HE2 GLN 65 -13.384 -6.056 -11.644 533 H GLU 66 HN GLU 66 -20.172 -5.044 -11.967 534 HA GLU 66 HA GLU 66 -21.029 -2.846 -10.125 535 1HB GLU 66 2HB GLU 66 -21.898 -2.907 -12.566 536 2HB GLU 66 1HB GLU 66 -22.867 -4.282 -12.036 537 1HG GLU 66 HG2 GLU 66 -23.113 -2.210 -10.073 538 2HG GLU 66 HG1 GLU 66 -23.408 -1.502 -11.661 539 H ASP 67 HN ASP 67 -21.045 -6.285 -10.740 540 HA ASP 67 HA ASP 67 -22.858 -6.677 -8.400 541 1HB ASP 67 2HB ASP 67 -22.825 -7.884 -10.930 542 2HB ASP 67 1HB ASP 67 -22.163 -9.106 -9.844 543 H TYR 68 HN TYR 68 -19.966 -5.991 -8.192 544 HA TYR 68 HA TYR 68 -18.415 -8.310 -7.580 545 1HB TYR 68 2HB TYR 68 -17.710 -5.782 -7.755 546 2HB TYR 68 1HB TYR 68 -18.080 -5.757 -6.029 547 HD1 TYR 68 HD1 TYR 68 -16.043 -7.476 -8.631 548 HD2 TYR 68 HD2 TYR 68 -16.619 -6.752 -4.436 549 HE1 TYR 68 HE1 TYR 68 -13.873 -8.571 -8.145 550 HE2 TYR 68 HE2 TYR 68 -14.446 -7.844 -3.949 551 HH TYR 68 HH TYR 68 -12.339 -9.010 -6.570 552 H GLN 69 HN GLN 69 -18.969 -9.819 -6.089 553 HA GLN 69 HA GLN 69 -20.554 -8.964 -3.720 554 1HB GLN 69 2HB GLN 69 -19.966 -11.725 -4.830 555 2HB GLN 69 1HB GLN 69 -20.963 -11.398 -3.412 556 1HG GLN 69 2HG GLN 69 -21.593 -9.995 -5.987 557 2HG GLN 69 1HG GLN 69 -22.092 -11.674 -5.782 558 1HE2 GLN 69 1HE2 GLN 69 -23.453 -8.763 -5.590 559 2HE2 GLN 69 2HE2 GLN 69 -24.468 -8.955 -4.243 560 H ALA 70 HN ALA 70 -19.202 -8.319 -2.100 561 HA ALA 70 HA ALA 70 -17.106 -10.252 -1.242 562 1HB ALA 70 1HB ALA 70 -15.431 -8.816 -1.692 563 2HB ALA 70 2HB ALA 70 -16.204 -7.578 -0.703 564 3HB ALA 70 3HB ALA 70 -16.595 -7.708 -2.417 565 H GLN 71 HN GLN 71 -18.747 -10.794 0.379 566 HA GLN 71 HA GLN 71 -19.666 -8.750 2.244 567 1HB GLN 71 2HB GLN 71 -19.888 -11.745 2.074 568 2HB GLN 71 1HB GLN 71 -20.317 -10.916 3.570 569 1HG GLN 71 2HG GLN 71 -22.204 -10.013 2.677 570 2HG GLN 71 1HG GLN 71 -21.426 -9.680 1.129 571 1HE2 GLN 71 1HE2 GLN 71 -22.485 -10.828 -0.488 572 2HE2 GLN 71 2HE2 GLN 71 -23.051 -12.422 -0.345 573 H GLY 72 HN GLY 72 -18.784 -8.240 4.229 574 1HA GLY 72 2HA GLY 72 -17.415 -8.738 6.184 575 2HA GLY 72 1HA GLY 72 -16.479 -9.862 5.196 576 H ALA 73 HN ALA 73 -16.172 -8.121 2.929 577 HA ALA 73 HA ALA 73 -14.281 -6.128 4.106 578 1HB ALA 73 1HB ALA 73 -13.027 -6.324 1.985 579 2HB ALA 73 2HB ALA 73 -14.212 -7.490 1.395 580 3HB ALA 73 3HB ALA 73 -13.188 -7.894 2.772 581 H VAL 74 HN VAL 74 -14.354 -4.022 3.344 582 HA VAL 74 HA VAL 74 -16.839 -2.999 2.371 583 HB VAL 74 HB VAL 74 -14.117 -1.684 2.128 584 1HG1 VAL 74 1HG1 VAL 74 -15.743 0.350 2.548 585 2HG1 VAL 74 2HG1 VAL 74 -16.962 -0.758 1.918 586 3HG1 VAL 74 3HG1 VAL 74 -15.571 -0.321 0.925 587 1HG2 VAL 74 1HG2 VAL 74 -15.957 -1.040 4.369 588 2HG2 VAL 74 2HG2 VAL 74 -14.196 -1.126 4.349 589 3HG2 VAL 74 3HG2 VAL 74 -15.149 -2.605 4.455 590 H VAL 75 HN VAL 75 -17.255 -2.007 0.205 591 HA VAL 75 HA VAL 75 -15.476 -2.916 -1.972 592 HB VAL 75 HB VAL 75 -18.425 -3.635 -1.871 593 1HG1 VAL 75 1HG1 VAL 75 -16.237 -3.955 -3.919 594 2HG1 VAL 75 2HG1 VAL 75 -17.874 -3.338 -4.141 595 3HG1 VAL 75 3HG1 VAL 75 -17.609 -5.063 -3.888 596 1HG2 VAL 75 1HG2 VAL 75 -15.914 -5.284 -1.483 597 2HG2 VAL 75 2HG2 VAL 75 -17.485 -5.998 -1.848 598 3HG2 VAL 75 3HG2 VAL 75 -17.256 -5.091 -0.353 599 H VAL 76 HN VAL 76 -15.391 -1.322 -3.515 600 HA VAL 76 HA VAL 76 -17.725 0.457 -3.890 601 HB VAL 76 HB VAL 76 -16.326 2.489 -3.638 602 1HG1 VAL 76 1HG1 VAL 76 -16.410 2.548 -1.272 603 2HG1 VAL 76 2HG1 VAL 76 -16.051 0.827 -1.132 604 3HG1 VAL 76 3HG1 VAL 76 -17.630 1.354 -1.715 605 1HG2 VAL 76 1HG2 VAL 76 -14.165 1.443 -2.105 606 2HG2 VAL 76 2HG2 VAL 76 -14.080 2.277 -3.656 607 3HG2 VAL 76 3HG2 VAL 76 -14.222 0.521 -3.608 608 H HIS 77 HN HIS 77 -17.307 1.958 -5.799 609 HA HIS 77 HA HIS 77 -15.284 0.865 -7.692 610 1HB HIS 77 2HB HIS 77 -18.069 1.501 -8.650 611 2HB HIS 77 1HB HIS 77 -16.842 0.493 -9.414 612 HD1 HIS 77 HD1 HIS 77 -17.119 -1.959 -9.080 613 HD2 HIS 77 HD2 HIS 77 -19.055 0.218 -6.100 614 HE1 HIS 77 HE1 HIS 77 -18.328 -3.648 -7.630 615 H ASP 78 HN ASP 78 -15.397 3.348 -6.127 616 HA ASP 78 HA ASP 78 -14.847 5.199 -8.279 617 1HB ASP 78 2HB ASP 78 -17.520 5.054 -7.652 618 2HB ASP 78 1HB ASP 78 -16.975 6.375 -6.618 619 H VAL 79 HN VAL 79 -12.998 5.967 -7.395 620 HA VAL 79 HA VAL 79 -12.119 6.093 -4.805 621 HB VAL 79 HB VAL 79 -11.761 8.227 -6.930 622 1HG1 VAL 79 1HG1 VAL 79 -9.824 8.963 -5.696 623 2HG1 VAL 79 2HG1 VAL 79 -10.005 7.650 -4.532 624 3HG1 VAL 79 3HG1 VAL 79 -11.188 8.954 -4.580 625 1HG2 VAL 79 1HG2 VAL 79 -10.879 6.275 -7.851 626 2HG2 VAL 79 2HG2 VAL 79 -10.430 5.616 -6.279 627 3HG2 VAL 79 3HG2 VAL 79 -9.475 6.913 -6.996 628 H ALA 80 HN ALA 80 -14.489 8.271 -6.257 629 HA ALA 80 HA ALA 80 -14.522 10.302 -4.276 630 1HB ALA 80 1HB ALA 80 -15.930 10.966 -5.937 631 2HB ALA 80 2HB ALA 80 -17.158 10.115 -5.000 632 3HB ALA 80 3HB ALA 80 -16.367 9.310 -6.355 633 H ALA 81 HN ALA 81 -16.253 7.190 -4.407 634 HA ALA 81 HA ALA 81 -17.724 7.576 -1.972 635 1HB ALA 81 1HB ALA 81 -17.345 4.834 -2.197 636 2HB ALA 81 2HB ALA 81 -17.212 5.397 -3.863 637 3HB ALA 81 3HB ALA 81 -18.664 5.750 -2.926 638 H VAL 82 HN VAL 82 -14.629 5.899 -2.653 639 HA VAL 82 HA VAL 82 -14.079 4.946 -0.067 640 HB VAL 82 HB VAL 82 -11.996 6.185 -1.882 641 1HG1 VAL 82 1HG1 VAL 82 -10.866 3.978 -0.869 642 2HG1 VAL 82 2HG1 VAL 82 -12.024 4.290 0.424 643 3HG1 VAL 82 3HG1 VAL 82 -10.832 5.517 -0.007 644 1HG2 VAL 82 1HG2 VAL 82 -13.013 4.762 -3.398 645 2HG2 VAL 82 2HG2 VAL 82 -13.627 3.689 -2.141 646 3HG2 VAL 82 3HG2 VAL 82 -11.926 3.622 -2.605 647 H PHE 83 HN PHE 83 -13.503 8.208 -1.374 648 HA PHE 83 HA PHE 83 -12.099 9.253 0.868 649 1HB PHE 83 2HB PHE 83 -13.764 10.460 -1.320 650 2HB PHE 83 1HB PHE 83 -13.229 11.474 0.020 651 HD1 PHE 83 HD1 PHE 83 -12.372 10.402 -3.180 652 HD2 PHE 83 HD2 PHE 83 -10.642 10.995 0.705 653 HE1 PHE 83 HE1 PHE 83 -10.122 10.579 -4.207 654 HE2 PHE 83 HE2 PHE 83 -8.394 11.172 -0.324 655 HZ PHE 83 HZ PHE 83 -8.135 10.962 -2.779 656 H ALA 84 HN ALA 84 -15.596 9.136 0.175 657 HA ALA 84 HA ALA 84 -16.556 10.646 2.336 658 1HB ALA 84 1HB ALA 84 -17.854 9.430 0.440 659 2HB ALA 84 2HB ALA 84 -18.631 9.584 2.015 660 3HB ALA 84 3HB ALA 84 -17.882 8.057 1.547 661 H TYR 85 HN TYR 85 -16.166 7.074 2.359 662 HA TYR 85 HA TYR 85 -16.735 6.551 5.014 663 1HB TYR 85 2HB TYR 85 -15.844 5.020 3.029 664 2HB TYR 85 1HB TYR 85 -14.313 5.218 3.882 665 HD1 TYR 85 HD1 TYR 85 -17.924 4.514 4.642 666 HD2 TYR 85 HD2 TYR 85 -13.812 3.705 5.578 667 HE1 TYR 85 HE1 TYR 85 -18.637 2.829 6.316 668 HE2 TYR 85 HE2 TYR 85 -14.522 2.020 7.252 669 HH TYR 85 HH TYR 85 -16.241 0.949 8.177 670 H ALA 86 HN ALA 86 -13.421 7.291 3.832 671 HA ALA 86 HA ALA 86 -12.136 7.341 6.332 672 1HB ALA 86 1HB ALA 86 -11.151 9.473 4.629 673 2HB ALA 86 2HB ALA 86 -11.478 8.020 3.687 674 3HB ALA 86 3HB ALA 86 -10.378 7.949 5.063 675 H LYS 87 HN LYS 87 -13.742 10.047 4.645 676 HA LYS 87 HA LYS 87 -13.236 11.999 6.681 677 1HB LYS 87 2HB LYS 87 -14.546 11.911 4.175 678 2HB LYS 87 1HB LYS 87 -15.751 12.471 5.333 679 1HG LYS 87 2HG LYS 87 -14.763 14.495 4.876 680 2HG LYS 87 1HG LYS 87 -13.675 13.961 6.158 681 1HD LYS 87 2HD LYS 87 -12.895 12.890 3.556 682 2HD LYS 87 1HD LYS 87 -12.935 14.653 3.556 683 1HE LYS 87 2HE LYS 87 -10.830 14.420 4.419 684 2HE LYS 87 1HE LYS 87 -11.711 14.221 5.934 685 1HZ LYS 87 1HE LYS 87 -9.969 12.456 5.148 686 2HZ LYS 87 2HE LYS 87 -11.281 11.863 4.246 687 3HZ LYS 87 3HE LYS 87 -11.392 11.978 5.937 688 H GLN 88 HN GLN 88 -15.556 9.417 6.436 689 HA GLN 88 HA GLN 88 -17.295 10.567 8.512 690 1HB GLN 88 2HB GLN 88 -17.416 8.307 6.620 691 2HB GLN 88 1HB GLN 88 -18.169 7.997 8.184 692 1HG GLN 88 2HG GLN 88 -19.922 9.318 7.676 693 2HG GLN 88 1HG GLN 88 -18.853 10.653 7.245 694 1HE2 GLN 88 1HE2 GLN 88 -18.748 11.179 5.048 695 2HE2 GLN 88 2HE2 GLN 88 -19.319 10.191 3.791 696 H HIS 89 HN HIS 89 -14.660 8.199 8.356 697 HA HIS 89 HA HIS 89 -15.324 7.181 11.035 698 1HB HIS 89 2HB HIS 89 -13.433 6.474 8.855 699 2HB HIS 89 1HB HIS 89 -12.911 6.100 10.497 700 HD1 HIS 89 HD1 HIS 89 -13.652 3.862 11.278 701 HD2 HIS 89 HD2 HIS 89 -16.313 5.455 8.493 702 HE1 HIS 89 HE1 HIS 89 -15.456 2.119 10.935 703 HA PRO 90 HA PRO 90 -12.626 10.326 12.866 704 1HB PRO 90 2HB PRO 90 -13.569 9.841 15.429 705 2HB PRO 90 1HB PRO 90 -14.290 10.979 14.282 706 1HG PRO 90 2HG PRO 90 -15.368 8.493 15.262 707 2HG PRO 90 1HG PRO 90 -16.133 9.693 14.210 708 1HD PRO 90 2HD PRO 90 -14.922 7.135 13.492 709 2HD PRO 90 1HD PRO 90 -15.943 8.204 12.515 710 H ASP 91 HN ASP 91 -12.473 7.030 12.944 711 HA ASP 91 HA ASP 91 -9.991 7.085 14.582 712 1HB ASP 91 2HB ASP 91 -12.467 5.653 15.232 713 2HB ASP 91 1HB ASP 91 -11.063 4.589 15.156 714 H GLN 92 HN GLN 92 -11.105 6.690 11.658 715 HA GLN 92 HA GLN 92 -9.126 4.605 10.956 716 1HB GLN 92 2HB GLN 92 -11.673 3.782 11.194 717 2HB GLN 92 1HB GLN 92 -11.772 4.461 9.570 718 1HG GLN 92 2HG GLN 92 -10.245 2.939 8.695 719 2HG GLN 92 1HG GLN 92 -9.488 2.650 10.255 720 1HE2 GLN 92 1HE2 GLN 92 -12.710 2.212 8.687 721 2HE2 GLN 92 2HE2 GLN 92 -13.032 0.723 9.435 722 H GLU 93 HN GLU 93 -7.827 5.997 9.700 723 HA GLU 93 HA GLU 93 -9.115 8.018 8.015 724 1HB GLU 93 2HB GLU 93 -6.269 7.261 8.660 725 2HB GLU 93 1HB GLU 93 -6.627 8.375 7.343 726 1HG GLU 93 HG2 GLU 93 -8.188 9.168 9.602 727 2HG GLU 93 HG1 GLU 93 -6.528 8.931 10.147 728 H LEU 94 HN LEU 94 -7.483 8.025 5.796 729 HA LEU 94 HA LEU 94 -8.388 5.555 4.395 730 1HB LEU 94 2HB LEU 94 -8.908 8.071 3.684 731 2HB LEU 94 1HB LEU 94 -7.325 7.933 2.927 732 HG LEU 94 HG LEU 94 -8.207 5.714 1.935 733 1HD1 LEU 94 1HD1 LEU 94 -10.451 5.231 2.050 734 2HD1 LEU 94 2HD1 LEU 94 -10.918 6.930 2.128 735 3HD1 LEU 94 3HD1 LEU 94 -10.313 6.115 3.570 736 1HD2 LEU 94 1HD2 LEU 94 -7.829 7.831 0.662 737 2HD2 LEU 94 2HD2 LEU 94 -9.476 8.327 1.052 738 3HD2 LEU 94 3HD2 LEU 94 -9.198 6.908 0.042 739 H VAL 95 HN VAL 95 -6.814 4.046 4.114 740 HA VAL 95 HA VAL 95 -4.012 5.020 3.695 741 HB VAL 95 HB VAL 95 -4.838 2.408 5.001 742 1HG1 VAL 95 1HG1 VAL 95 -2.122 3.594 5.265 743 2HG1 VAL 95 2HG1 VAL 95 -2.535 2.903 3.696 744 3HG1 VAL 95 3HG1 VAL 95 -2.604 1.902 5.146 745 1HG2 VAL 95 1HG2 VAL 95 -5.389 4.099 6.574 746 2HG2 VAL 95 2HG2 VAL 95 -3.994 5.081 6.127 747 3HG2 VAL 95 3HG2 VAL 95 -3.766 3.586 7.035 748 H ILE 96 HN ILE 96 -3.132 4.402 1.790 749 HA ILE 96 HA ILE 96 -4.684 2.591 0.055 750 HB ILE 96 HB ILE 96 -2.163 4.140 -0.589 751 1HG1 ILE 96 2HG1 ILE 96 -3.921 5.673 0.179 752 2HG1 ILE 96 1HG1 ILE 96 -3.717 5.819 -1.563 753 1HG2 ILE 96 1HG2 ILE 96 -3.299 3.962 -2.920 754 2HG2 ILE 96 2HG2 ILE 96 -4.242 2.661 -2.194 755 3HG2 ILE 96 3HG2 ILE 96 -2.485 2.535 -2.281 756 1HD1 ILE 96 1HD1 ILE 96 -6.108 5.721 -0.942 757 2HD1 ILE 96 2HD1 ILE 96 -5.840 4.151 -0.187 758 3HD1 ILE 96 3HD1 ILE 96 -5.642 4.336 -1.930 759 H ALA 97 HN ALA 97 -3.795 0.740 -0.930 760 HA ALA 97 HA ALA 97 -1.253 -0.281 0.246 761 1HB ALA 97 1HB ALA 97 -3.933 -1.647 0.049 762 2HB ALA 97 2HB ALA 97 -2.851 -1.541 1.436 763 3HB ALA 97 3HB ALA 97 -2.443 -2.590 0.078 764 H GLY 98 HN GLY 98 -2.837 0.651 -2.482 765 1HA GLY 98 2HA GLY 98 -1.851 0.525 -4.660 766 2HA GLY 98 1HA GLY 98 -1.012 -0.945 -4.176 767 H GLY 99 HN GLY 99 -3.412 -2.525 -6.288 768 1HA GLY 99 2HA GLY 99 -0.649 -2.179 -5.591 769 2HA GLY 99 1HA GLY 99 -1.260 -2.759 -7.135 770 H ALA 100 HN ALA 100 0.020 -1.554 -8.488 771 HA ALA 100 HA ALA 100 0.730 1.185 -8.132 772 1HB ALA 100 1HB ALA 100 1.937 -0.282 -9.679 773 2HB ALA 100 2HB ALA 100 1.318 1.126 -10.542 774 3HB ALA 100 3HB ALA 100 0.498 -0.429 -10.688 775 H GLN 101 HN GLN 101 -1.978 -0.305 -9.901 776 HA GLN 101 HA GLN 101 -2.950 2.044 -11.129 777 1HB GLN 101 2HB GLN 101 -3.773 -0.572 -11.037 778 2HB GLN 101 1HB GLN 101 -5.052 0.236 -10.129 779 1HG GLN 101 2HG GLN 101 -5.365 1.836 -11.978 780 2HG GLN 101 1HG GLN 101 -4.079 1.042 -12.888 781 1HE2 GLN 101 1HE2 GLN 101 -4.494 -1.488 -13.108 782 2HE2 GLN 101 2HE2 GLN 101 -6.088 -1.931 -13.488 783 H ILE 102 HN ILE 102 -3.534 0.831 -7.793 784 HA ILE 102 HA ILE 102 -5.479 2.907 -7.251 785 HB ILE 102 HB ILE 102 -3.890 1.250 -5.274 786 1HG1 ILE 102 2HG1 ILE 102 -4.988 -0.228 -6.890 787 2HG1 ILE 102 1HG1 ILE 102 -5.855 -0.289 -5.356 788 1HG2 ILE 102 1HG2 ILE 102 -6.606 2.589 -5.087 789 2HG2 ILE 102 2HG2 ILE 102 -5.126 3.186 -4.337 790 3HG2 ILE 102 3HG2 ILE 102 -5.824 1.654 -3.814 791 1HD1 ILE 102 1HD1 ILE 102 -7.721 0.192 -6.533 792 2HD1 ILE 102 2HD1 ILE 102 -6.790 0.612 -7.970 793 3HD1 ILE 102 3HD1 ILE 102 -7.069 1.819 -6.716 794 H PHE 103 HN PHE 103 -1.970 2.740 -7.054 795 HA PHE 103 HA PHE 103 -1.736 4.964 -5.199 796 1HB PHE 103 2HB PHE 103 0.230 3.699 -7.128 797 2HB PHE 103 1HB PHE 103 0.652 5.014 -6.035 798 HD1 PHE 103 HD1 PHE 103 1.307 1.786 -6.303 799 HD2 PHE 103 HD2 PHE 103 -0.821 4.346 -3.584 800 HE1 PHE 103 HE1 PHE 103 1.682 0.155 -4.473 801 HE2 PHE 103 HE2 PHE 103 -0.448 2.712 -1.756 802 HZ PHE 103 HZ PHE 103 0.804 0.618 -2.200 803 H THR 104 HN THR 104 -2.251 4.651 -8.627 804 HA THR 104 HA THR 104 -1.334 7.348 -9.274 805 HB THR 104 HB THR 104 -3.182 5.654 -10.957 806 HG1 THR 104 HG1 THR 104 -0.388 5.525 -11.158 807 1HG2 THR 104 1HG2 THR 104 -2.916 7.608 -12.126 808 2HG2 THR 104 2HG2 THR 104 -1.428 6.814 -12.640 809 3HG2 THR 104 3HG2 THR 104 -1.389 7.997 -11.332 810 H ALA 105 HN ALA 105 -4.555 5.773 -9.024 811 HA ALA 105 HA ALA 105 -6.069 8.125 -9.535 812 1HB ALA 105 1HB ALA 105 -7.298 6.352 -7.557 813 2HB ALA 105 2HB ALA 105 -6.639 5.471 -8.936 814 3HB ALA 105 3HB ALA 105 -7.828 6.747 -9.192 815 H PHE 106 HN PHE 106 -4.524 6.967 -6.589 816 HA PHE 106 HA PHE 106 -5.761 9.184 -5.047 817 1HB PHE 106 2HB PHE 106 -4.147 6.757 -4.251 818 2HB PHE 106 1HB PHE 106 -4.562 8.037 -3.111 819 HD1 PHE 106 HD1 PHE 106 -6.848 8.379 -2.372 820 HD2 PHE 106 HD2 PHE 106 -5.898 5.343 -5.250 821 HE1 PHE 106 HE1 PHE 106 -9.086 7.366 -2.047 822 HE2 PHE 106 HE2 PHE 106 -8.132 4.330 -4.927 823 HZ PHE 106 HZ PHE 106 -9.728 5.342 -3.324 824 H LYS 107 HN LYS 107 -3.027 8.801 -6.932 825 HA LYS 107 HA LYS 107 -0.950 9.811 -5.312 826 1HB LYS 107 2HB LYS 107 0.205 10.419 -7.330 827 2HB LYS 107 1HB LYS 107 -0.677 8.931 -7.645 828 1HG LYS 107 2HG LYS 107 -1.782 9.905 -9.338 829 2HG LYS 107 1HG LYS 107 -2.371 11.172 -8.271 830 1HD LYS 107 2HD LYS 107 0.469 11.314 -9.192 831 2HD LYS 107 1HD LYS 107 -0.801 11.743 -10.338 832 1HE LYS 107 2HE LYS 107 -1.664 13.106 -8.162 833 2HE LYS 107 1HE LYS 107 0.075 13.145 -7.874 834 1HZ LYS 107 1HE LYS 107 -0.221 14.975 -9.199 835 2HZ LYS 107 2HE LYS 107 -1.464 14.264 -10.113 836 3HZ LYS 107 3HE LYS 107 0.151 13.801 -10.366 837 H ASP 108 HN ASP 108 -3.510 11.650 -7.024 838 HA ASP 108 HA ASP 108 -2.378 14.228 -6.446 839 1HB ASP 108 2HB ASP 108 -4.349 13.434 -8.062 840 2HB ASP 108 1HB ASP 108 -5.335 13.888 -6.672 841 H ASP 109 HN ASP 109 -4.678 12.159 -4.699 842 HA ASP 109 HA ASP 109 -4.826 14.189 -2.527 843 1HB ASP 109 2HB ASP 109 -6.504 11.841 -3.351 844 2HB ASP 109 1HB ASP 109 -6.560 12.393 -1.676 845 H VAL 110 HN VAL 110 -2.696 13.776 -1.604 846 HA VAL 110 HA VAL 110 -2.524 11.117 -0.243 847 HB VAL 110 HB VAL 110 -0.095 12.762 -0.908 848 1HG1 VAL 110 1HG1 VAL 110 0.913 10.455 -0.867 849 2HG1 VAL 110 2HG1 VAL 110 -0.662 9.841 -0.364 850 3HG1 VAL 110 3HG1 VAL 110 0.215 10.966 0.669 851 1HG2 VAL 110 1HG2 VAL 110 -1.728 11.039 -2.738 852 2HG2 VAL 110 2HG2 VAL 110 0.029 10.976 -2.868 853 3HG2 VAL 110 3HG2 VAL 110 -0.815 12.504 -3.096 854 H ASP 111 HN ASP 111 -1.764 11.152 1.915 855 HA ASP 111 HA ASP 111 -1.396 13.849 3.140 856 1HB ASP 111 2HB ASP 111 -3.474 11.846 3.680 857 2HB ASP 111 1HB ASP 111 -2.600 12.340 5.130 858 H THR 112 HN THR 112 -0.813 10.362 3.293 859 HA THR 112 HA THR 112 1.671 10.920 4.836 860 HB THR 112 HB THR 112 -0.197 8.635 5.522 861 HG1 THR 112 HG1 THR 112 -1.226 10.499 6.116 862 1HG2 THR 112 1HG2 THR 112 2.123 9.853 7.043 863 2HG2 THR 112 2HG2 THR 112 2.244 8.402 6.048 864 3HG2 THR 112 3HG2 THR 112 1.215 8.406 7.480 865 H LEU 113 HN LEU 113 3.388 9.749 4.051 866 HA LEU 113 HA LEU 113 2.746 7.615 2.048 867 1HB LEU 113 2HB LEU 113 5.159 9.444 2.171 868 2HB LEU 113 1HB LEU 113 4.906 8.174 0.977 869 HG LEU 113 HG LEU 113 2.865 10.353 1.405 870 1HD1 LEU 113 1HD1 LEU 113 5.034 11.420 0.870 871 2HD1 LEU 113 2HD1 LEU 113 3.902 11.559 -0.475 872 3HD1 LEU 113 3HD1 LEU 113 5.199 10.366 -0.534 873 1HD2 LEU 113 1HD2 LEU 113 1.841 8.819 0.043 874 2HD2 LEU 113 2HD2 LEU 113 3.370 8.130 -0.502 875 3HD2 LEU 113 3HD2 LEU 113 2.780 9.635 -1.207 876 H LEU 114 HN LEU 114 3.456 5.600 2.507 877 HA LEU 114 HA LEU 114 5.624 5.297 4.544 878 1HB LEU 114 2HB LEU 114 3.253 3.463 4.064 879 2HB LEU 114 1HB LEU 114 4.500 3.251 5.295 880 HG LEU 114 HG LEU 114 3.157 5.891 5.299 881 1HD1 LEU 114 1HD1 LEU 114 1.049 5.224 5.913 882 2HD1 LEU 114 2HD1 LEU 114 1.620 3.717 6.627 883 3HD1 LEU 114 3HD1 LEU 114 1.446 3.853 4.878 884 1HD2 LEU 114 1HD2 LEU 114 4.814 5.228 6.988 885 2HD2 LEU 114 2HD2 LEU 114 3.832 3.830 7.422 886 3HD2 LEU 114 3HD2 LEU 114 3.237 5.459 7.742 887 H VAL 115 HN VAL 115 7.354 4.776 3.302 888 HA VAL 115 HA VAL 115 6.973 2.624 1.248 889 HB VAL 115 HB VAL 115 7.442 4.804 0.207 890 1HG1 VAL 115 1HG1 VAL 115 10.031 4.684 1.784 891 2HG1 VAL 115 2HG1 VAL 115 8.691 5.782 2.114 892 3HG1 VAL 115 3HG1 VAL 115 9.592 5.919 0.604 893 1HG2 VAL 115 1HG2 VAL 115 8.338 3.249 -1.220 894 2HG2 VAL 115 2HG2 VAL 115 9.314 2.497 0.037 895 3HG2 VAL 115 3HG2 VAL 115 9.855 3.992 -0.721 896 H THR 116 HN THR 116 8.345 0.915 1.282 897 HA THR 116 HA THR 116 10.459 0.896 3.395 898 HB THR 116 HB THR 116 9.660 -1.635 2.049 899 HG1 THR 116 HG1 THR 116 7.785 -1.798 3.270 900 1HG2 THR 116 1HG2 THR 116 9.873 -1.032 4.991 901 2HG2 THR 116 2HG2 THR 116 11.309 -1.273 3.997 902 3HG2 THR 116 3HG2 THR 116 10.125 -2.569 4.164 903 H ARG 117 HN ARG 117 12.505 1.100 2.589 904 HA ARG 117 HA ARG 117 12.941 0.474 -0.287 905 1HB ARG 117 2HB ARG 117 14.119 2.378 1.645 906 2HB ARG 117 1HB ARG 117 15.274 1.620 0.547 907 1HG ARG 117 2HG ARG 117 13.705 2.239 -1.354 908 2HG ARG 117 1HG ARG 117 12.806 3.211 -0.190 909 1HD ARG 117 2HD ARG 117 15.512 3.906 0.183 910 2HD ARG 117 1HD ARG 117 15.275 3.845 -1.563 911 HE ARG 117 HE ARG 117 14.095 5.792 0.261 912 1HH1 ARG 117 1HH2 ARG 117 13.777 4.105 -2.760 913 2HH1 ARG 117 2HH2 ARG 117 12.791 5.334 -3.474 914 1HH2 ARG 117 1HH1 ARG 117 12.808 7.377 -0.680 915 2HH2 ARG 117 2HH1 ARG 117 12.244 7.175 -2.305 916 H LEU 118 HN LEU 118 13.680 -1.556 -0.648 917 HA LEU 118 HA LEU 118 15.119 -3.031 1.446 918 1HB LEU 118 2HB LEU 118 14.112 -3.692 -1.315 919 2HB LEU 118 1HB LEU 118 15.269 -4.756 -0.521 920 HG LEU 118 HG LEU 118 13.735 -4.907 1.438 921 1HD1 LEU 118 1HD1 LEU 118 12.555 -2.792 1.196 922 2HD1 LEU 118 2HD1 LEU 118 11.385 -4.105 1.096 923 3HD1 LEU 118 3HD1 LEU 118 11.918 -3.287 -0.371 924 1HD2 LEU 118 1HD2 LEU 118 12.506 -6.611 0.483 925 2HD2 LEU 118 2HD2 LEU 118 13.639 -6.331 -0.838 926 3HD2 LEU 118 3HD2 LEU 118 12.022 -5.629 -0.900 927 H ALA 119 HN ALA 119 17.293 -3.854 1.157 928 HA ALA 119 HA ALA 119 19.033 -1.944 -0.231 929 1HB ALA 119 1HB ALA 119 19.405 -4.197 1.692 930 2HB ALA 119 2HB ALA 119 20.048 -2.556 1.750 931 3HB ALA 119 3HB ALA 119 20.777 -3.752 0.678 932 H GLY 120 HN GLY 120 17.832 -5.202 -0.747 933 1HA GLY 120 2HA GLY 120 19.794 -5.913 -2.761 934 2HA GLY 120 1HA GLY 120 18.267 -6.746 -2.470 935 H SER 121 HN SER 121 19.056 -6.361 -5.081 936 HA SER 121 HA SER 121 17.204 -4.196 -6.000 937 1HB SER 121 2HB SER 121 19.698 -3.852 -6.473 938 2HB SER 121 1HB SER 121 19.578 -5.229 -7.565 939 HG SER 121 HG SER 121 19.034 -3.651 -8.892 940 H PHE 122 HN PHE 122 15.407 -5.135 -6.842 941 HA PHE 122 HA PHE 122 15.706 -7.785 -8.190 942 1HB PHE 122 2HB PHE 122 13.145 -6.557 -7.142 943 2HB PHE 122 1HB PHE 122 13.420 -8.234 -7.618 944 HD1 PHE 122 HD1 PHE 122 14.532 -9.795 -6.150 945 HD2 PHE 122 HD2 PHE 122 14.182 -5.650 -5.077 946 HE1 PHE 122 HE1 PHE 122 15.267 -10.330 -3.841 947 HE2 PHE 122 HE2 PHE 122 14.915 -6.184 -2.769 948 HZ PHE 122 HZ PHE 122 15.457 -8.524 -2.151 949 H GLU 123 HN GLU 123 14.279 -8.126 -10.090 950 HA GLU 123 HA GLU 123 13.935 -5.582 -11.628 951 1HB GLU 123 2HB GLU 123 14.393 -8.400 -12.656 952 2HB GLU 123 1HB GLU 123 14.219 -6.957 -13.656 953 1HG GLU 123 HG2 GLU 123 16.359 -6.325 -13.295 954 2HG GLU 123 HG1 GLU 123 16.233 -6.619 -11.561 955 H GLY 124 HN GLY 124 12.087 -5.590 -13.175 956 1HA GLY 124 2HA GLY 124 10.003 -7.534 -13.122 957 2HA GLY 124 1HA GLY 124 9.627 -6.287 -11.931 958 H ASP 125 HN ASP 125 7.774 -5.628 -13.284 959 HA ASP 125 HA ASP 125 8.631 -3.805 -15.460 960 1HB ASP 125 2HB ASP 125 7.047 -6.236 -15.767 961 2HB ASP 125 1HB ASP 125 6.156 -4.810 -16.301 962 H THR 126 HN THR 126 6.682 -4.547 -12.750 963 HA THR 126 HA THR 126 5.044 -2.081 -13.165 964 HB THR 126 HB THR 126 4.449 -4.230 -11.131 965 HG1 THR 126 HG1 THR 126 3.475 -4.076 -13.787 966 1HG2 THR 126 1HG2 THR 126 2.630 -2.320 -12.613 967 2HG2 THR 126 2HG2 THR 126 3.347 -1.959 -11.042 968 3HG2 THR 126 3HG2 THR 126 2.226 -3.310 -11.211 969 H LYS 127 HN LYS 127 5.637 -0.389 -11.924 970 HA LYS 127 HA LYS 127 6.994 -0.942 -9.316 971 1HB LYS 127 2HB LYS 127 7.765 1.212 -11.308 972 2HB LYS 127 1HB LYS 127 8.534 0.912 -9.749 973 1HG LYS 127 2HG LYS 127 9.031 -1.438 -10.559 974 2HG LYS 127 1HG LYS 127 8.491 -0.921 -12.157 975 1HD LYS 127 2HD LYS 127 10.241 1.093 -11.444 976 2HD LYS 127 1HD LYS 127 11.007 -0.339 -10.756 977 1HE LYS 127 2HE LYS 127 11.804 -0.073 -13.032 978 2HE LYS 127 1HE LYS 127 10.738 -1.476 -12.979 979 1HZ LYS 127 1HE LYS 127 9.515 1.111 -13.557 980 2HZ LYS 127 2HE LYS 127 9.137 -0.431 -14.162 981 3HZ LYS 127 3HE LYS 127 10.472 0.422 -14.776 982 H MET 128 HN MET 128 6.987 1.122 -7.935 983 HA MET 128 HA MET 128 4.292 2.015 -7.593 984 1HB MET 128 2HB MET 128 6.490 2.031 -6.012 985 2HB MET 128 1HB MET 128 6.471 3.721 -6.517 986 1HG MET 128 2HG MET 128 3.861 2.554 -5.700 987 2HG MET 128 1HG MET 128 5.038 2.820 -4.418 988 1HE MET 128 1HE MET 128 3.206 5.174 -3.334 989 2HE MET 128 2HE MET 128 2.604 3.770 -4.212 990 3HE MET 128 3HE MET 128 2.118 5.387 -4.713 991 H ILE 129 HN ILE 129 3.475 4.202 -7.845 992 HA ILE 129 HA ILE 129 4.196 5.376 -10.397 993 HB ILE 129 HB ILE 129 2.401 6.970 -9.902 994 1HG1 ILE 129 2HG1 ILE 129 1.614 5.877 -7.319 995 2HG1 ILE 129 1HG1 ILE 129 3.215 6.608 -7.239 996 1HG2 ILE 129 1HG2 ILE 129 2.000 4.062 -9.295 997 2HG2 ILE 129 2HG2 ILE 129 1.438 5.003 -10.675 998 3HG2 ILE 129 3HG2 ILE 129 0.641 5.169 -9.111 999 1HD1 ILE 129 1HD1 ILE 129 1.340 8.224 -6.785 1000 2HD1 ILE 129 2HD1 ILE 129 0.794 7.974 -8.444 1001 3HD1 ILE 129 3HD1 ILE 129 2.373 8.695 -8.135 1002 HA PRO 130 HA PRO 130 6.966 8.604 -9.143 1003 1HB PRO 130 2HB PRO 130 5.806 10.775 -10.539 1004 2HB PRO 130 1HB PRO 130 7.047 9.666 -11.139 1005 1HG PRO 130 2HG PRO 130 4.358 9.888 -12.015 1006 2HG PRO 130 1HG PRO 130 5.569 8.706 -12.531 1007 1HD PRO 130 2HD PRO 130 3.307 8.361 -10.704 1008 2HD PRO 130 1HD PRO 130 4.276 7.132 -11.533 1009 H LEU 131 HN LEU 131 6.624 9.027 -6.947 1010 HA LEU 131 HA LEU 131 4.359 10.747 -6.141 1011 1HB LEU 131 2HB LEU 131 6.381 9.055 -4.726 1012 2HB LEU 131 1HB LEU 131 5.651 10.394 -3.839 1013 HG LEU 131 HG LEU 131 4.055 8.299 -5.335 1014 1HD1 LEU 131 1HD1 LEU 131 4.015 8.364 -2.377 1015 2HD1 LEU 131 2HD1 LEU 131 5.524 7.796 -3.092 1016 3HD1 LEU 131 3HD1 LEU 131 4.006 6.984 -3.473 1017 1HD2 LEU 131 1HD2 LEU 131 2.560 9.482 -3.274 1018 2HD2 LEU 131 2HD2 LEU 131 2.396 9.797 -5.001 1019 3HD2 LEU 131 3HD2 LEU 131 3.439 10.821 -4.014 1020 H ASN 132 HN ASN 132 4.732 12.746 -4.945 1021 HA ASN 132 HA ASN 132 7.117 14.179 -5.954 1022 1HB ASN 132 2HB ASN 132 4.396 14.877 -5.443 1023 2HB ASN 132 1HB ASN 132 5.404 15.863 -4.386 1024 1HD2 ASN 132 1HD2 ASN 132 5.882 17.814 -5.391 1025 2HD2 ASN 132 2HD2 ASN 132 6.226 18.004 -7.042 1026 H TRP 133 HN TRP 133 8.358 12.734 -4.308 1027 HA TRP 133 HA TRP 133 8.192 12.990 -1.523 1028 1HB TRP 133 2HB TRP 133 10.769 12.947 -3.121 1029 2HB TRP 133 1HB TRP 133 10.566 12.443 -1.444 1030 HD1 TRP 133 HD1 TRP 133 10.122 11.275 -4.990 1031 HE1 TRP 133 HE1 TRP 133 9.309 8.829 -4.998 1032 HE3 TRP 133 HE3 TRP 133 9.071 10.679 -0.029 1033 HZ2 TRP 133 HZ2 TRP 133 8.345 6.880 -3.146 1034 HZ3 TRP 133 HZ3 TRP 133 8.208 8.518 0.822 1035 HH2 TRP 133 HH2 TRP 133 7.843 6.619 -0.729 1036 H ASP 134 HN ASP 134 9.391 15.317 -3.861 1037 HA ASP 134 HA ASP 134 10.794 17.032 -2.052 1038 1HB ASP 134 2HB ASP 134 10.579 17.021 -4.704 1039 2HB ASP 134 1HB ASP 134 9.308 18.198 -4.369 1040 H ASP 135 HN ASP 135 7.375 16.635 -2.729 1041 HA ASP 135 HA ASP 135 6.683 19.120 -1.291 1042 1HB ASP 135 2HB ASP 135 5.480 17.861 -3.365 1043 2HB ASP 135 1HB ASP 135 4.570 17.166 -2.023 1044 H PHE 136 HN PHE 136 7.383 15.923 -0.466 1045 HA PHE 136 HA PHE 136 5.757 16.159 2.037 1046 1HB PHE 136 2HB PHE 136 6.682 13.696 0.535 1047 2HB PHE 136 1HB PHE 136 5.985 13.646 2.154 1048 HD1 PHE 136 HD1 PHE 136 5.315 14.709 -1.351 1049 HD2 PHE 136 HD2 PHE 136 3.639 13.759 2.484 1050 HE1 PHE 136 HE1 PHE 136 3.041 14.757 -2.336 1051 HE2 PHE 136 HE2 PHE 136 1.363 13.807 1.501 1052 HZ PHE 136 HZ PHE 136 1.066 14.307 -0.910 1053 H THR 137 HN THR 137 6.820 15.087 3.947 1054 HA THR 137 HA THR 137 9.794 15.087 3.767 1055 HB THR 137 HB THR 137 8.332 16.426 6.049 1056 HG1 THR 137 HG1 THR 137 8.438 18.281 4.980 1057 1HG2 THR 137 1HG2 THR 137 10.432 16.296 6.880 1058 2HG2 THR 137 2HG2 THR 137 10.834 17.553 5.711 1059 3HG2 THR 137 3HG2 THR 137 11.112 15.858 5.313 1060 H LYS 138 HN LYS 138 10.679 13.390 4.879 1061 HA LYS 138 HA LYS 138 8.946 11.414 6.070 1062 1HB LYS 138 2HB LYS 138 11.042 10.786 4.954 1063 2HB LYS 138 1HB LYS 138 11.966 11.690 6.153 1064 1HG LYS 138 2HG LYS 138 10.146 9.852 7.462 1065 2HG LYS 138 1HG LYS 138 11.170 8.990 6.313 1066 1HD LYS 138 2HD LYS 138 12.373 11.009 8.193 1067 2HD LYS 138 1HD LYS 138 12.058 9.362 8.739 1068 1HE LYS 138 2HE LYS 138 14.205 9.098 7.913 1069 2HE LYS 138 1HE LYS 138 13.275 8.743 6.457 1070 1HZ LYS 138 1HE LYS 138 15.176 10.443 6.327 1071 2HZ LYS 138 2HE LYS 138 14.084 11.508 7.076 1072 3HZ LYS 138 3HE LYS 138 13.704 10.816 5.572 1073 H VAL 139 HN VAL 139 8.099 11.533 8.073 1074 HA VAL 139 HA VAL 139 9.358 13.325 10.075 1075 HB VAL 139 HB VAL 139 7.231 12.938 11.343 1076 1HG1 VAL 139 1HG1 VAL 139 7.204 14.877 9.995 1077 2HG1 VAL 139 2HG1 VAL 139 5.746 14.014 9.507 1078 3HG1 VAL 139 3HG1 VAL 139 7.191 13.943 8.499 1079 1HG2 VAL 139 1HG2 VAL 139 6.260 11.544 8.843 1080 2HG2 VAL 139 2HG2 VAL 139 5.468 11.641 10.416 1081 3HG2 VAL 139 3HG2 VAL 139 6.907 10.642 10.213 1082 H SER 140 HN SER 140 8.847 9.933 9.410 1083 HA SER 140 HA SER 140 10.456 9.280 11.812 1084 1HB SER 140 2HB SER 140 7.709 8.144 11.235 1085 2HB SER 140 1HB SER 140 8.845 7.410 12.363 1086 HG SER 140 HG SER 140 7.473 9.854 12.509 1087 H SER 141 HN SER 141 11.764 7.499 11.485 1088 HA SER 141 HA SER 141 11.233 5.646 9.275 1089 1HB SER 141 2HB SER 141 12.364 7.524 8.127 1090 2HB SER 141 1HB SER 141 13.721 7.379 9.239 1091 HG SER 141 HG SER 141 13.970 5.218 8.469 1092 H ARG 142 HN ARG 142 12.242 3.659 9.625 1093 HA ARG 142 HA ARG 142 14.264 3.530 11.816 1094 1HB ARG 142 2HB ARG 142 11.814 2.839 12.444 1095 2HB ARG 142 1HB ARG 142 12.166 1.392 11.497 1096 1HG ARG 142 2HG ARG 142 14.416 1.511 12.989 1097 2HG ARG 142 1HG ARG 142 13.280 2.260 14.111 1098 1HD ARG 142 2HD ARG 142 12.631 0.178 14.672 1099 2HD ARG 142 1HD ARG 142 11.888 0.064 13.079 1100 HE ARG 142 HE ARG 142 14.239 -0.771 12.344 1101 1HH1 ARG 142 1HH2 ARG 142 12.866 -1.243 15.510 1102 2HH1 ARG 142 2HH2 ARG 142 13.793 -2.669 15.817 1103 1HH2 ARG 142 1HH1 ARG 142 15.420 -2.628 12.765 1104 2HH2 ARG 142 2HH1 ARG 142 15.226 -3.450 14.277 1105 H THR 143 HN THR 143 16.002 2.188 11.282 1106 HA THR 143 HA THR 143 15.792 0.762 8.673 1107 HB THR 143 HB THR 143 18.337 1.321 10.200 1108 HG1 THR 143 HG1 THR 143 17.339 3.298 9.918 1109 1HG2 THR 143 1HG2 THR 143 19.297 0.383 8.400 1110 2HG2 THR 143 2HG2 THR 143 18.476 1.524 7.335 1111 3HG2 THR 143 3HG2 THR 143 17.693 0.005 7.772 1112 H VAL 144 HN VAL 144 15.758 -1.449 8.702 1113 HA VAL 144 HA VAL 144 16.744 -2.802 11.180 1114 HB VAL 144 HB VAL 144 14.262 -2.818 11.039 1115 1HG1 VAL 144 1HG1 VAL 144 14.334 -4.698 8.736 1116 2HG1 VAL 144 2HG1 VAL 144 14.581 -2.992 8.364 1117 3HG1 VAL 144 3HG1 VAL 144 13.108 -3.512 9.183 1118 1HG2 VAL 144 1HG2 VAL 144 14.704 -4.729 12.184 1119 2HG2 VAL 144 2HG2 VAL 144 15.995 -5.196 11.078 1120 3HG2 VAL 144 3HG2 VAL 144 14.317 -5.559 10.677 1121 H GLU 145 HN GLU 145 18.303 -4.284 10.798 1122 HA GLU 145 HA GLU 145 18.969 -4.984 8.012 1123 1HB GLU 145 2HB GLU 145 20.322 -5.178 10.670 1124 2HB GLU 145 1HB GLU 145 20.811 -6.321 9.418 1125 1HG GLU 145 HG2 GLU 145 21.796 -4.706 8.146 1126 2HG GLU 145 HG1 GLU 145 20.548 -3.516 8.515 1127 H ASP 146 HN ASP 146 19.373 -7.298 7.458 1128 HA ASP 146 HA ASP 146 17.797 -9.219 9.095 1129 1HB ASP 146 2HB ASP 146 16.794 -8.071 6.761 1130 2HB ASP 146 1HB ASP 146 17.410 -9.635 6.228 1131 H THR 147 HN THR 147 18.343 -11.471 8.623 1132 HA THR 147 HA THR 147 21.119 -11.959 8.283 1133 HB THR 147 HB THR 147 20.300 -14.378 7.877 1134 HG1 THR 147 HG1 THR 147 18.255 -13.901 7.119 1135 1HG2 THR 147 1HG2 THR 147 21.010 -13.609 10.072 1136 2HG2 THR 147 2HG2 THR 147 19.539 -14.566 10.253 1137 3HG2 THR 147 3HG2 THR 147 19.462 -12.805 10.328 1138 H ASN 148 HN ASN 148 18.737 -11.314 5.929 1139 HA ASN 148 HA ASN 148 20.459 -12.504 3.795 1140 1HB ASN 148 2HB ASN 148 17.933 -13.111 4.009 1141 2HB ASN 148 1HB ASN 148 17.665 -11.517 3.310 1142 1HD2 ASN 148 1HD2 ASN 148 17.477 -14.461 2.213 1143 2HD2 ASN 148 2HD2 ASN 148 18.282 -14.353 0.722 1144 HA PRO 149 HA PRO 149 22.048 -8.425 2.973 1145 1HB PRO 149 2HB PRO 149 22.364 -9.202 0.195 1146 2HB PRO 149 1HB PRO 149 23.609 -8.922 1.418 1147 1HG PRO 149 2HG PRO 149 22.631 -11.425 0.400 1148 2HG PRO 149 1HG PRO 149 23.944 -11.137 1.550 1149 1HD PRO 149 2HD PRO 149 21.476 -12.307 2.143 1150 2HD PRO 149 1HD PRO 149 22.638 -11.676 3.321 1151 H ALA 150 HN ALA 150 19.875 -9.906 0.541 1152 HA ALA 150 HA ALA 150 19.001 -7.293 -0.414 1153 1HB ALA 150 1HB ALA 150 17.962 -10.089 -0.946 1154 2HB ALA 150 2HB ALA 150 19.055 -9.156 -1.969 1155 3HB ALA 150 3HB ALA 150 17.381 -8.639 -1.765 1156 H LEU 151 HN LEU 151 17.747 -9.695 1.872 1157 HA LEU 151 HA LEU 151 15.110 -8.553 2.040 1158 1HB LEU 151 2HB LEU 151 16.662 -10.264 3.994 1159 2HB LEU 151 1HB LEU 151 14.963 -9.851 4.179 1160 HG LEU 151 HG LEU 151 16.129 -11.274 1.768 1161 1HD1 LEU 151 1HD1 LEU 151 14.299 -12.926 3.125 1162 2HD1 LEU 151 2HD1 LEU 151 15.334 -12.247 4.381 1163 3HD1 LEU 151 3HD1 LEU 151 16.047 -13.134 3.034 1164 1HD2 LEU 151 1HD2 LEU 151 13.246 -11.446 2.329 1165 2HD2 LEU 151 2HD2 LEU 151 14.075 -11.103 0.811 1166 3HD2 LEU 151 3HD2 LEU 151 13.790 -9.808 1.971 1167 H THR 152 HN THR 152 18.028 -7.197 2.960 1168 HA THR 152 HA THR 152 17.237 -5.994 5.479 1169 HB THR 152 HB THR 152 19.259 -4.972 3.457 1170 HG1 THR 152 HG1 THR 152 19.803 -6.567 5.716 1171 1HG2 THR 152 1HG2 THR 152 20.193 -4.363 5.949 1172 2HG2 THR 152 2HG2 THR 152 18.453 -4.214 6.195 1173 3HG2 THR 152 3HG2 THR 152 19.253 -3.255 4.950 1174 H HIS 153 HN HIS 153 16.368 -3.827 5.760 1175 HA HIS 153 HA HIS 153 15.817 -2.162 3.451 1176 1HB HIS 153 2HB HIS 153 13.313 -2.368 3.580 1177 2HB HIS 153 1HB HIS 153 14.123 -3.800 2.954 1178 HD1 HIS 153 HD1 HIS 153 14.697 -5.654 4.967 1179 HD2 HIS 153 HD2 HIS 153 11.579 -2.968 5.636 1180 HE1 HIS 153 HE1 HIS 153 13.282 -6.646 6.817 1181 H THR 154 HN THR 154 14.254 -0.349 4.065 1182 HA THR 154 HA THR 154 14.416 0.259 6.985 1183 HB THR 154 HB THR 154 14.802 2.362 4.856 1184 HG1 THR 154 HG1 THR 154 16.818 0.850 6.155 1185 1HG2 THR 154 1HG2 THR 154 14.332 2.670 7.455 1186 2HG2 THR 154 2HG2 THR 154 15.458 3.721 6.600 1187 3HG2 THR 154 3HG2 THR 154 16.065 2.372 7.560 1188 H TYR 155 HN TYR 155 12.698 1.683 7.728 1189 HA TYR 155 HA TYR 155 10.337 1.686 5.898 1190 1HB TYR 155 2HB TYR 155 10.422 2.060 8.909 1191 2HB TYR 155 1HB TYR 155 8.978 1.872 7.917 1192 HD1 TYR 155 HD1 TYR 155 8.626 -0.301 6.657 1193 HD2 TYR 155 HD2 TYR 155 11.640 0.173 9.682 1194 HE1 TYR 155 HE1 TYR 155 8.785 -2.766 6.883 1195 HE2 TYR 155 HE2 TYR 155 11.799 -2.291 9.907 1196 HH TYR 155 HH TYR 155 11.301 -4.283 8.741 1197 H GLU 156 HN GLU 156 9.796 3.671 5.040 1198 HA GLU 156 HA GLU 156 10.746 6.089 6.522 1199 1HB GLU 156 2HB GLU 156 10.286 5.702 3.549 1200 2HB GLU 156 1HB GLU 156 10.755 7.222 4.310 1201 1HG GLU 156 HG2 GLU 156 12.648 5.572 5.342 1202 2HG GLU 156 HG1 GLU 156 12.375 4.797 3.781 1203 H VAL 157 HN VAL 157 9.135 7.314 7.351 1204 HA VAL 157 HA VAL 157 6.406 7.074 6.139 1205 HB VAL 157 HB VAL 157 7.165 7.883 8.966 1206 1HG1 VAL 157 1HG1 VAL 157 4.430 7.021 8.093 1207 2HG1 VAL 157 2HG1 VAL 157 4.949 8.670 7.744 1208 3HG1 VAL 157 3HG1 VAL 157 4.896 8.096 9.411 1209 1HG2 VAL 157 1HG2 VAL 157 7.492 5.641 9.192 1210 2HG2 VAL 157 2HG2 VAL 157 6.670 5.273 7.677 1211 3HG2 VAL 157 3HG2 VAL 157 5.732 5.548 9.145 1212 H TRP 158 HN TRP 158 5.658 8.929 5.170 1213 HA TRP 158 HA TRP 158 7.046 11.485 5.880 1214 1HB TRP 158 2HB TRP 158 5.695 10.776 3.265 1215 2HB TRP 158 1HB TRP 158 6.585 12.253 3.613 1216 HD1 TRP 158 HD1 TRP 158 7.317 8.445 3.797 1217 HE1 TRP 158 HE1 TRP 158 9.713 8.062 2.926 1218 HE3 TRP 158 HE3 TRP 158 8.675 13.264 2.803 1219 HZ2 TRP 158 HZ2 TRP 158 11.917 9.599 1.941 1220 HZ3 TRP 158 HZ3 TRP 158 10.924 13.777 1.900 1221 HH2 TRP 158 HH2 TRP 158 12.546 11.953 1.467 1222 H GLN 159 HN GLN 159 5.706 13.439 5.533 1223 HA GLN 159 HA GLN 159 2.778 13.017 5.853 1224 1HB GLN 159 2HB GLN 159 4.559 14.692 7.657 1225 2HB GLN 159 1HB GLN 159 2.799 14.817 7.630 1226 1HG GLN 159 2HG GLN 159 2.926 12.193 7.959 1227 2HG GLN 159 1HG GLN 159 4.523 12.569 8.608 1228 1HE2 GLN 159 1HE2 GLN 159 1.652 11.861 9.813 1229 2HE2 GLN 159 2HE2 GLN 159 1.536 12.956 11.105 1230 H LYS 160 HN LYS 160 1.572 14.757 4.838 1231 HA LYS 160 HA LYS 160 3.090 16.283 2.899 1232 1HB LYS 160 2HB LYS 160 0.728 15.354 2.613 1233 2HB LYS 160 1HB LYS 160 0.187 16.679 3.645 1234 1HG LYS 160 2HG LYS 160 1.776 18.017 1.865 1235 2HG LYS 160 1HG LYS 160 1.122 16.736 0.843 1236 1HD LYS 160 2HD LYS 160 -0.623 18.439 2.635 1237 2HD LYS 160 1HD LYS 160 -0.271 18.870 0.961 1238 1HE LYS 160 2HE LYS 160 -1.271 16.109 1.585 1239 2HE LYS 160 1HE LYS 160 -2.417 17.448 1.518 1240 1HZ LYS 160 1HE LYS 160 -0.603 17.512 -0.679 1241 2HZ LYS 160 2HE LYS 160 -2.302 17.487 -0.682 1242 3HZ LYS 160 3HE LYS 160 -1.428 16.032 -0.613 1243 H LYS 161 HN LYS 161 3.891 18.303 3.134 1244 HA LYS 161 HA LYS 161 3.324 19.766 5.646 1245 1HB LYS 161 2HB LYS 161 5.329 20.273 3.426 1246 2HB LYS 161 1HB LYS 161 5.200 21.229 4.902 1247 1HG LYS 161 2HG LYS 161 5.307 18.520 5.723 1248 2HG LYS 161 1HG LYS 161 6.557 18.714 4.494 1249 1HD LYS 161 2HD LYS 161 7.854 19.919 5.891 1250 2HD LYS 161 1HD LYS 161 6.516 20.989 6.307 1251 1HE LYS 161 2HE LYS 161 5.664 19.106 7.813 1252 2HE LYS 161 1HE LYS 161 7.234 18.339 7.573 1253 1HZ LYS 161 1HE LYS 161 8.332 20.066 8.627 1254 2HZ LYS 161 2HE LYS 161 6.929 19.888 9.569 1255 3HZ LYS 161 3HE LYS 161 7.043 21.152 8.439 1256 H ALA 162 HN ALA 162 3.108 22.223 5.375 1257 HA ALA 162 HA ALA 162 1.865 23.129 2.871 1258 1HB ALA 162 1HB ALA 162 -0.306 23.575 3.730 1259 2HB ALA 162 2HB ALA 162 0.204 23.275 5.391 1260 3HB ALA 162 3HB ALA 162 0.058 21.932 4.257 1261 AH51 NDP 168 AH51 NDP 168 -6.059 -2.500 -8.256 1262 AH52 NDP 168 AH52 NDP 168 -5.855 -1.315 -9.555 1263 AH4* NDP 168 AH4* NDP 168 -7.636 -3.782 -9.758 1264 AH3* NDP 168 AH3* NDP 168 -7.180 -1.457 -11.636 1265 AHO3 NDP 168 AHO3 NDP 168 -6.237 -3.505 -12.126 1266 AH2* NDP 168 AH2* NDP 168 -9.487 -1.621 -12.247 1267 AH1* NDP 168 AH1* NDP 168 -10.448 -1.884 -9.671 1268 AH8 NDP 168 AH8 NDP 168 -7.418 0.394 -10.375 1269 AH61 NDP 168 AH61 NDP 168 -11.597 4.978 -10.218 1270 AH62 NDP 168 AH62 NDP 168 -9.892 4.599 -10.191 1271 AH2 NDP 168 AH2 NDP 168 -13.791 1.094 -9.805 1272 NH51 NDP 168 NH51 NDP 168 -1.574 -5.525 -9.514 1273 NH52 NDP 168 NH52 NDP 168 -1.379 -4.415 -8.152 1274 NH4* NDP 168 NH4* NDP 168 0.793 -6.193 -9.374 1275 NH3* NDP 168 NH3* NDP 168 -0.730 -6.456 -6.770 1276 NHO3 NDP 168 NHO3 NDP 168 0.072 -8.720 -7.860 1277 NH2* NDP 168 NH2* NDP 168 1.270 -7.412 -5.844 1278 NHO2 NDP 168 NHO2 NDP 168 2.573 -7.393 -8.350 1279 NH1* NDP 168 NH1* NDP 168 3.003 -5.572 -6.998 1280 NH2 NDP 168 NH2 NDP 168 3.609 -4.147 -5.178 1281 NH71 NDP 168 NH71 NDP 168 5.041 -3.595 -4.435 1282 NH72 NDP 168 NH72 NDP 168 5.554 -2.663 -3.049 1283 NH41 NDP 168 NH41 NDP 168 0.569 -2.488 -3.236 1284 NH42 NDP 168 NH42 NDP 168 0.929 -3.932 -2.229 1285 NH5 NDP 168 NH5 NDP 168 -1.113 -4.281 -3.599 1286 NH6 NDP 168 NH6 NDP 168 -0.472 -5.630 -5.659 1287 H1 TRR 170 H1 TRR 170 4.866 -5.191 2.009 1288 1H2 TRR 170 1H2 TRR 170 5.724 -3.173 2.939 1289 2H2 TRR 170 2H2 TRR 170 4.872 -1.707 2.722 1290 1H4 TRR 170 1H4 TRR 170 0.161 -3.114 -0.419 1291 2H4 TRR 170 2H4 TRR 170 0.767 -1.674 0.243 1292 H6 TRR 170 H6 TRR 170 3.234 -6.461 0.761 1293 1H7 TRR 170 1H7 TRR 170 1.188 -5.278 -1.455 1294 2H7 TRR 170 2H7 TRR 170 0.023 -5.018 -0.155 1295 H12 TRR 170 H12 TRR 170 1.516 -7.447 -2.130 1296 H16 TRR 170 H16 TRR 170 0.400 -6.657 1.959 1297 1H17 TRR 170 1H17 TRR 170 0.960 -9.339 -3.722 1298 2H17 TRR 170 2H17 TRR 170 2.351 -10.413 -3.754 1299 3H17 TRR 170 3H17 TRR 170 2.513 -8.784 -3.117 1300 1H18 TRR 170 1H18 TRR 170 2.018 -12.452 -0.269 1301 2H18 TRR 170 2H18 TRR 170 2.253 -12.294 1.466 1302 3H18 TRR 170 3H18 TRR 170 2.901 -11.076 0.377 1303 1H19 TRR 170 1H19 TRR 170 -0.607 -8.792 4.506 1304 2H19 TRR 170 2H19 TRR 170 -0.597 -7.478 3.343 1305 3H19 TRR 170 3H19 TRR 170 0.886 -7.929 4.166 Start of MODEL 19 1 1H THR 1 1H THR 1 -6.024 10.898 3.014 2 2H THR 1 2H THR 1 -4.633 10.560 3.928 3 3H THR 1 3H THR 1 -6.061 9.681 4.194 4 HA THR 1 HA THR 1 -5.556 8.207 2.637 5 HB THR 1 HB THR 1 -4.591 10.249 0.674 6 HG1 THR 1 HG1 THR 1 -6.388 11.292 0.769 7 1HG2 THR 1 1HG2 THR 1 -5.627 7.536 0.695 8 2HG2 THR 1 2HG2 THR 1 -4.814 8.408 -0.605 9 3HG2 THR 1 3HG2 THR 1 -6.558 8.562 -0.395 10 H ALA 2 HN ALA 2 -3.773 6.972 2.863 11 HA ALA 2 HA ALA 2 -1.113 8.299 2.569 12 1HB ALA 2 1HB ALA 2 -1.976 6.279 4.657 13 2HB ALA 2 2HB ALA 2 -1.418 7.928 4.937 14 3HB ALA 2 3HB ALA 2 -0.291 6.703 4.353 15 H PHE 3 HN PHE 3 0.551 6.930 1.698 16 HA PHE 3 HA PHE 3 -0.529 4.620 0.154 17 1HB PHE 3 2HB PHE 3 1.884 6.408 -0.157 18 2HB PHE 3 1HB PHE 3 1.801 4.856 -0.979 19 HD1 PHE 3 HD1 PHE 3 -1.530 5.683 -0.895 20 HD2 PHE 3 HD2 PHE 3 2.121 7.057 -2.692 21 HE1 PHE 3 HE1 PHE 3 -2.822 6.730 -2.732 22 HE2 PHE 3 HE2 PHE 3 0.823 8.103 -4.522 23 HZ PHE 3 HZ PHE 3 -1.646 7.939 -4.542 24 H LEU 4 HN LEU 4 0.219 2.535 0.595 25 HA LEU 4 HA LEU 4 2.529 2.323 2.478 26 1HB LEU 4 2HB LEU 4 0.520 1.924 3.786 27 2HB LEU 4 1HB LEU 4 -0.106 0.820 2.566 28 HG LEU 4 HG LEU 4 1.465 -0.860 3.102 29 1HD1 LEU 4 1HD1 LEU 4 3.415 -0.399 4.634 30 2HD1 LEU 4 2HD1 LEU 4 3.006 1.315 4.559 31 3HD1 LEU 4 3HD1 LEU 4 3.506 0.464 3.098 32 1HD2 LEU 4 1HD2 LEU 4 -0.082 -0.892 4.876 33 2HD2 LEU 4 2HD2 LEU 4 0.500 0.637 5.535 34 3HD2 LEU 4 3HD2 LEU 4 1.467 -0.826 5.718 35 H TRP 5 HN TRP 5 3.955 1.730 0.777 36 HA TRP 5 HA TRP 5 3.442 -0.983 -0.321 37 1HB TRP 5 2HB TRP 5 3.897 -0.354 -2.569 38 2HB TRP 5 1HB TRP 5 2.749 0.841 -1.970 39 HD1 TRP 5 HD1 TRP 5 6.056 0.545 -3.577 40 HE1 TRP 5 HE1 TRP 5 7.261 2.818 -3.628 41 HE3 TRP 5 HE3 TRP 5 3.113 3.170 -0.334 42 HZ2 TRP 5 HZ2 TRP 5 7.017 5.408 -2.446 43 HZ3 TRP 5 HZ3 TRP 5 3.626 5.537 0.188 44 HH2 TRP 5 HH2 TRP 5 5.571 6.659 -0.863 45 H ALA 6 HN ALA 6 5.296 -2.231 -0.530 46 HA ALA 6 HA ALA 6 7.805 -0.987 0.473 47 1HB ALA 6 1HB ALA 6 8.509 -3.486 0.544 48 2HB ALA 6 2HB ALA 6 6.796 -3.828 0.305 49 3HB ALA 6 3HB ALA 6 7.326 -2.934 1.730 50 H GLN 7 HN GLN 7 9.471 -0.660 -0.934 51 HA GLN 7 HA GLN 7 9.376 -2.093 -3.559 52 1HB GLN 7 2HB GLN 7 10.210 0.031 -4.616 53 2HB GLN 7 1HB GLN 7 8.568 0.142 -3.987 54 1HG GLN 7 2HG GLN 7 9.146 1.656 -2.395 55 2HG GLN 7 1HG GLN 7 10.662 0.832 -2.029 56 1HE2 GLN 7 1HE2 GLN 7 12.527 1.278 -3.497 57 2HE2 GLN 7 2HE2 GLN 7 12.567 2.719 -4.393 58 H ASP 8 HN ASP 8 11.502 -2.192 -4.650 59 HA ASP 8 HA ASP 8 13.642 -2.616 -2.670 60 1HB ASP 8 2HB ASP 8 14.874 -3.582 -4.622 61 2HB ASP 8 1HB ASP 8 13.309 -4.344 -4.350 62 H ARG 9 HN ARG 9 15.928 -2.063 -4.074 63 HA ARG 9 HA ARG 9 16.275 0.722 -3.669 64 1HB ARG 9 2HB ARG 9 18.421 0.448 -4.893 65 2HB ARG 9 1HB ARG 9 18.176 -0.812 -3.684 66 1HG ARG 9 2HG ARG 9 18.743 -2.171 -5.438 67 2HG ARG 9 1HG ARG 9 17.026 -2.020 -5.801 68 1HD ARG 9 2HD ARG 9 17.479 -0.968 -7.739 69 2HD ARG 9 1HD ARG 9 18.457 0.234 -6.903 70 HE ARG 9 HE ARG 9 19.479 -2.330 -8.029 71 1HH1 ARG 9 1HH1 ARG 9 20.009 0.814 -6.630 72 2HH1 ARG 9 2HH1 ARG 9 21.694 0.817 -7.010 73 1HH2 ARG 9 1HH2 ARG 9 21.665 -2.301 -8.508 74 2HH2 ARG 9 2HH2 ARG 9 22.628 -0.931 -8.063 75 H ASP 10 HN ASP 10 15.660 -1.067 -6.718 76 HA ASP 10 HA ASP 10 15.791 1.310 -8.354 77 1HB ASP 10 2HB ASP 10 15.033 -1.536 -8.721 78 2HB ASP 10 1HB ASP 10 14.296 -0.391 -9.843 79 H GLY 11 HN GLY 11 13.211 -0.329 -6.593 80 1HA GLY 11 2HA GLY 11 11.305 1.006 -5.824 81 2HA GLY 11 1HA GLY 11 11.445 1.970 -7.290 82 H LEU 12 HN LEU 12 11.468 -1.594 -7.094 83 HA LEU 12 HA LEU 12 9.152 -1.596 -8.963 84 1HB LEU 12 2HB LEU 12 10.969 -2.997 -9.704 85 2HB LEU 12 1HB LEU 12 11.115 -3.746 -8.118 86 HG LEU 12 HG LEU 12 8.548 -4.384 -8.612 87 1HD1 LEU 12 1HD1 LEU 12 7.968 -4.549 -10.827 88 2HD1 LEU 12 2HD1 LEU 12 9.642 -4.722 -11.363 89 3HD1 LEU 12 3HD1 LEU 12 9.018 -3.135 -10.921 90 1HD2 LEU 12 1HD2 LEU 12 10.646 -5.995 -10.031 91 2HD2 LEU 12 2HD2 LEU 12 9.324 -6.549 -9.006 92 3HD2 LEU 12 3HD2 LEU 12 10.746 -5.797 -8.281 93 H ILE 13 HN ILE 13 7.210 -2.763 -8.432 94 HA ILE 13 HA ILE 13 7.037 -3.695 -5.615 95 HB ILE 13 HB ILE 13 4.661 -2.677 -5.666 96 1HG1 ILE 13 2HG1 ILE 13 5.624 -0.527 -7.419 97 2HG1 ILE 13 1HG1 ILE 13 5.365 -2.040 -8.278 98 1HG2 ILE 13 1HG2 ILE 13 5.496 -0.879 -4.508 99 2HG2 ILE 13 2HG2 ILE 13 6.691 -0.501 -5.753 100 3HG2 ILE 13 3HG2 ILE 13 6.979 -1.829 -4.622 101 1HD1 ILE 13 1HD1 ILE 13 3.090 -2.173 -7.182 102 2HD1 ILE 13 2HD1 ILE 13 3.277 -0.829 -8.308 103 3HD1 ILE 13 3HD1 ILE 13 3.363 -0.542 -6.570 104 H GLY 14 HN GLY 14 5.130 -3.520 -8.641 105 1HA GLY 14 2HA GLY 14 3.808 -6.042 -8.058 106 2HA GLY 14 1HA GLY 14 3.629 -5.100 -9.536 107 H LYS 15 HN LYS 15 4.473 -8.037 -8.640 108 HA LYS 15 HA LYS 15 6.451 -8.301 -10.846 109 1HB LYS 15 2HB LYS 15 7.362 -8.370 -8.336 110 2HB LYS 15 1HB LYS 15 6.779 -10.031 -8.429 111 1HG LYS 15 2HG LYS 15 8.192 -9.394 -10.856 112 2HG LYS 15 1HG LYS 15 9.207 -8.985 -9.473 113 1HD LYS 15 2HD LYS 15 9.737 -11.189 -9.440 114 2HD LYS 15 1HD LYS 15 8.145 -11.417 -8.717 115 1HE LYS 15 2HE LYS 15 7.651 -12.718 -10.493 116 2HE LYS 15 1HE LYS 15 7.625 -11.241 -11.455 117 1HZ LYS 15 1HE LYS 15 9.585 -13.346 -11.375 118 2HZ LYS 15 2HE LYS 15 10.265 -11.792 -11.268 119 3HZ LYS 15 3HE LYS 15 9.274 -12.200 -12.586 120 H ASP 16 HN ASP 16 4.413 -9.024 -11.961 121 HA ASP 16 HA ASP 16 2.963 -10.681 -12.701 122 1HB ASP 16 2HB ASP 16 5.208 -12.342 -11.536 123 2HB ASP 16 1HB ASP 16 3.885 -13.024 -12.482 124 H GLY 17 HN GLY 17 1.818 -9.674 -10.458 125 1HA GLY 17 2HA GLY 17 0.103 -10.350 -9.009 126 2HA GLY 17 1HA GLY 17 0.549 -12.028 -9.306 127 H HIS 18 HN HIS 18 2.353 -12.899 -8.127 128 HA HIS 18 HA HIS 18 2.376 -12.265 -5.369 129 1HB HIS 18 2HB HIS 18 4.360 -13.766 -5.255 130 2HB HIS 18 1HB HIS 18 3.054 -14.459 -6.213 131 HD1 HIS 18 HD1 HIS 18 6.567 -13.343 -6.427 132 HD2 HIS 18 HD2 HIS 18 3.509 -14.282 -9.100 133 HE1 HIS 18 HE1 HIS 18 7.661 -13.640 -8.691 134 H LEU 19 HN LEU 19 5.081 -12.176 -4.612 135 HA LEU 19 HA LEU 19 5.807 -9.404 -5.452 136 1HB LEU 19 2HB LEU 19 5.992 -10.909 -2.875 137 2HB LEU 19 1HB LEU 19 7.273 -9.750 -3.232 138 HG LEU 19 HG LEU 19 4.378 -8.980 -3.538 139 1HD1 LEU 19 1HD1 LEU 19 6.036 -8.706 -1.013 140 2HD1 LEU 19 2HD1 LEU 19 4.746 -9.889 -1.231 141 3HD1 LEU 19 3HD1 LEU 19 4.374 -8.165 -1.245 142 1HD2 LEU 19 1HD2 LEU 19 5.874 -7.392 -4.484 143 2HD2 LEU 19 2HD2 LEU 19 7.017 -7.557 -3.151 144 3HD2 LEU 19 3HD2 LEU 19 5.477 -6.737 -2.896 145 HA PRO 20 HA PRO 20 9.615 -10.967 -7.093 146 1HB PRO 20 2HB PRO 20 11.209 -8.728 -6.341 147 2HB PRO 20 1HB PRO 20 10.380 -8.989 -7.882 148 1HG PRO 20 2HG PRO 20 9.766 -7.025 -5.987 149 2HG PRO 20 1HG PRO 20 8.758 -7.509 -7.355 150 1HD PRO 20 2HD PRO 20 8.506 -8.218 -4.484 151 2HD PRO 20 1HD PRO 20 7.253 -8.116 -5.742 152 H TRP 21 HN TRP 21 9.764 -9.660 -3.786 153 HA TRP 21 HA TRP 21 11.967 -11.604 -3.218 154 1HB TRP 21 2HB TRP 21 12.644 -9.962 -1.433 155 2HB TRP 21 1HB TRP 21 12.797 -9.323 -3.071 156 HD1 TRP 21 HD1 TRP 21 10.368 -9.240 -0.081 157 HE1 TRP 21 HE1 TRP 21 8.993 -7.064 -0.207 158 HE3 TRP 21 HE3 TRP 21 12.064 -7.382 -4.526 159 HZ2 TRP 21 HZ2 TRP 21 8.657 -4.829 -1.959 160 HZ3 TRP 21 HZ3 TRP 21 11.200 -5.228 -5.399 161 HH2 TRP 21 HH2 TRP 21 9.501 -3.952 -4.122 162 H HIS 22 HN HIS 22 11.758 -12.823 -1.322 163 HA HIS 22 HA HIS 22 9.067 -12.787 -0.066 164 1HB HIS 22 2HB HIS 22 10.482 -14.898 -0.904 165 2HB HIS 22 1HB HIS 22 11.162 -14.772 0.719 166 HD1 HIS 22 HD1 HIS 22 7.643 -14.600 -0.778 167 HD2 HIS 22 HD2 HIS 22 9.644 -16.217 2.502 168 HE1 HIS 22 HE1 HIS 22 5.908 -15.860 0.570 169 H LEU 23 HN LEU 23 9.173 -11.035 1.374 170 HA LEU 23 HA LEU 23 11.230 -11.272 3.535 171 1HB LEU 23 2HB LEU 23 11.608 -9.296 2.061 172 2HB LEU 23 1HB LEU 23 9.991 -8.720 2.460 173 HG LEU 23 HG LEU 23 10.662 -8.729 4.886 174 1HD1 LEU 23 1HD1 LEU 23 13.413 -9.207 3.706 175 2HD1 LEU 23 2HD1 LEU 23 12.508 -10.354 4.693 176 3HD1 LEU 23 3HD1 LEU 23 13.073 -8.840 5.396 177 1HD2 LEU 23 1HD2 LEU 23 11.555 -6.586 4.746 178 2HD2 LEU 23 2HD2 LEU 23 10.935 -6.771 3.105 179 3HD2 LEU 23 3HD2 LEU 23 12.649 -7.019 3.432 180 HA PRO 24 HA PRO 24 7.300 -11.865 5.755 181 1HB PRO 24 2HB PRO 24 8.780 -12.709 8.038 182 2HB PRO 24 1HB PRO 24 7.885 -13.721 6.897 183 1HG PRO 24 2HG PRO 24 10.701 -13.543 7.225 184 2HG PRO 24 1HG PRO 24 9.803 -14.495 6.036 185 1HD PRO 24 2HD PRO 24 11.315 -12.052 5.636 186 2HD PRO 24 1HD PRO 24 10.596 -13.125 4.427 187 H ASP 25 HN ASP 25 10.255 -10.333 7.002 188 HA ASP 25 HA ASP 25 9.069 -8.969 9.209 189 1HB ASP 25 2HB ASP 25 11.590 -9.200 8.420 190 2HB ASP 25 1HB ASP 25 11.249 -7.668 7.616 191 H ASP 26 HN ASP 26 9.023 -8.326 5.772 192 HA ASP 26 HA ASP 26 8.101 -5.573 6.050 193 1HB ASP 26 2HB ASP 26 9.290 -6.195 4.028 194 2HB ASP 26 1HB ASP 26 8.138 -7.488 3.697 195 H LEU 27 HN LEU 27 6.576 -8.723 5.315 196 HA LEU 27 HA LEU 27 3.933 -7.819 4.905 197 1HB LEU 27 2HB LEU 27 4.975 -10.365 6.174 198 2HB LEU 27 1HB LEU 27 3.270 -10.098 5.810 199 HG LEU 27 HG LEU 27 5.364 -9.701 3.683 200 1HD1 LEU 27 1HD1 LEU 27 4.810 -12.081 2.986 201 2HD1 LEU 27 2HD1 LEU 27 4.082 -12.295 4.579 202 3HD1 LEU 27 3HD1 LEU 27 5.804 -11.940 4.436 203 1HD2 LEU 27 1HD2 LEU 27 3.568 -9.643 2.253 204 2HD2 LEU 27 2HD2 LEU 27 2.710 -9.162 3.716 205 3HD2 LEU 27 3HD2 LEU 27 2.663 -10.841 3.179 206 H HIS 28 HN HIS 28 5.652 -8.524 7.939 207 HA HIS 28 HA HIS 28 3.430 -8.115 9.696 208 1HB HIS 28 2HB HIS 28 6.389 -7.624 10.171 209 2HB HIS 28 1HB HIS 28 5.160 -7.710 11.433 210 HD1 HIS 28 HD1 HIS 28 3.528 -10.110 10.626 211 HD2 HIS 28 HD2 HIS 28 7.686 -10.062 10.336 212 HE1 HIS 28 HE1 HIS 28 4.274 -12.530 10.622 213 H TYR 29 HN TYR 29 5.835 -5.906 8.310 214 HA TYR 29 HA TYR 29 5.037 -3.549 9.720 215 1HB TYR 29 2HB TYR 29 7.105 -3.876 8.244 216 2HB TYR 29 1HB TYR 29 6.038 -3.616 6.864 217 HD1 TYR 29 HD1 TYR 29 6.601 -2.058 10.240 218 HD2 TYR 29 HD2 TYR 29 6.006 -1.451 6.030 219 HE1 TYR 29 HE1 TYR 29 6.772 0.394 10.570 220 HE2 TYR 29 HE2 TYR 29 6.176 1.002 6.359 221 HH TYR 29 HH TYR 29 7.113 2.579 7.956 222 H PHE 30 HN PHE 30 3.772 -5.169 6.874 223 HA PHE 30 HA PHE 30 1.996 -3.036 6.052 224 1HB PHE 30 2HB PHE 30 2.677 -4.827 4.501 225 2HB PHE 30 1HB PHE 30 1.859 -6.020 5.509 226 HD1 PHE 30 HD1 PHE 30 0.935 -2.602 4.263 227 HD2 PHE 30 HD2 PHE 30 -0.109 -6.759 4.499 228 HE1 PHE 30 HE1 PHE 30 -1.197 -2.131 3.089 229 HE2 PHE 30 HE2 PHE 30 -2.242 -6.288 3.325 230 HZ PHE 30 HZ PHE 30 -2.783 -3.975 2.619 231 H ARG 31 HN ARG 31 1.457 -6.081 7.862 232 HA ARG 31 HA ARG 31 -1.311 -5.610 8.382 233 1HB ARG 31 2HB ARG 31 -0.088 -7.801 8.635 234 2HB ARG 31 1HB ARG 31 0.637 -7.160 10.109 235 1HG ARG 31 2HG ARG 31 -1.814 -6.661 10.828 236 2HG ARG 31 1HG ARG 31 -2.252 -7.811 9.562 237 1HD ARG 31 2HD ARG 31 -2.046 -9.066 11.607 238 2HD ARG 31 1HD ARG 31 -0.634 -9.441 10.623 239 HE ARG 31 HE ARG 31 -0.475 -7.347 12.742 240 1HH1 ARG 31 1HH2 ARG 31 0.600 -10.326 11.292 241 2HH1 ARG 31 2HH2 ARG 31 2.006 -10.433 12.291 242 1HH2 ARG 31 1HH1 ARG 31 1.354 -7.518 14.034 243 2HH2 ARG 31 2HH1 ARG 31 2.431 -8.860 13.832 244 H ALA 32 HN ALA 32 1.622 -4.789 10.229 245 HA ALA 32 HA ALA 32 0.185 -3.719 12.494 246 1HB ALA 32 1HB ALA 32 2.312 -2.965 13.270 247 2HB ALA 32 2HB ALA 32 2.983 -2.961 11.639 248 3HB ALA 32 3HB ALA 32 2.616 -4.490 12.439 249 H GLN 33 HN GLN 33 1.612 -2.241 9.583 250 HA GLN 33 HA GLN 33 1.035 0.471 10.382 251 1HB GLN 33 2HB GLN 33 1.667 -0.820 7.726 252 2HB GLN 33 1HB GLN 33 1.346 0.908 7.874 253 1HG GLN 33 2HG GLN 33 3.405 -0.498 9.584 254 2HG GLN 33 1HG GLN 33 3.805 0.203 8.015 255 1HE2 GLN 33 1HE2 GLN 33 2.429 2.584 7.962 256 2HE2 GLN 33 2HE2 GLN 33 2.888 3.579 9.259 257 H THR 34 HN THR 34 -1.000 -2.037 9.247 258 HA THR 34 HA THR 34 -3.061 -0.005 8.474 259 HB THR 34 HB THR 34 -4.077 -1.745 7.066 260 HG1 THR 34 HG1 THR 34 -1.827 -3.311 7.775 261 1HG2 THR 34 1HG2 THR 34 -2.662 -0.636 5.660 262 2HG2 THR 34 2HG2 THR 34 -1.783 -2.166 5.683 263 3HG2 THR 34 3HG2 THR 34 -1.275 -0.840 6.731 264 H VAL 35 HN VAL 35 -2.451 -1.112 11.203 265 HA VAL 35 HA VAL 35 -4.705 -2.893 11.787 266 HB VAL 35 HB VAL 35 -3.953 -2.711 14.124 267 1HG1 VAL 35 1HG1 VAL 35 -1.540 -2.951 12.321 268 2HG1 VAL 35 2HG1 VAL 35 -2.792 -4.190 12.399 269 3HG1 VAL 35 3HG1 VAL 35 -1.845 -3.801 13.836 270 1HG2 VAL 35 1HG2 VAL 35 -2.601 -0.333 13.019 271 2HG2 VAL 35 2HG2 VAL 35 -1.578 -1.319 14.065 272 3HG2 VAL 35 3HG2 VAL 35 -3.101 -0.674 14.676 273 H GLY 36 HN GLY 36 -6.730 -2.142 12.020 274 1HA GLY 36 2HA GLY 36 -8.500 -0.801 12.810 275 2HA GLY 36 1HA GLY 36 -7.315 0.163 13.687 276 H LYS 37 HN LYS 37 -6.535 -0.162 10.372 277 HA LYS 37 HA LYS 37 -7.698 2.548 9.861 278 1HB LYS 37 2HB LYS 37 -5.100 1.298 8.942 279 2HB LYS 37 1HB LYS 37 -5.763 2.762 8.216 280 1HG LYS 37 2HG LYS 37 -5.142 4.043 9.975 281 2HG LYS 37 1HG LYS 37 -5.740 2.866 11.144 282 1HD LYS 37 2HD LYS 37 -3.700 1.884 11.394 283 2HD LYS 37 1HD LYS 37 -3.310 2.033 9.680 284 1HE LYS 37 2HE LYS 37 -1.800 3.534 10.647 285 2HE LYS 37 1HE LYS 37 -3.141 4.595 10.215 286 1HZ LYS 37 1HE LYS 37 -3.830 4.761 12.382 287 2HZ LYS 37 2HE LYS 37 -2.146 4.669 12.592 288 3HZ LYS 37 3HE LYS 37 -3.114 3.297 12.852 289 H ILE 38 HN ILE 38 -8.076 2.960 7.461 290 HA ILE 38 HA ILE 38 -9.519 0.655 6.331 291 HB ILE 38 HB ILE 38 -9.184 3.441 5.180 292 1HG1 ILE 38 2HG1 ILE 38 -11.419 2.344 6.919 293 2HG1 ILE 38 1HG1 ILE 38 -10.168 3.454 7.480 294 1HG2 ILE 38 1HG2 ILE 38 -9.966 1.756 3.577 295 2HG2 ILE 38 2HG2 ILE 38 -11.286 2.849 3.995 296 3HG2 ILE 38 3HG2 ILE 38 -11.216 1.237 4.708 297 1HD1 ILE 38 1HD1 ILE 38 -10.893 4.999 5.568 298 2HD1 ILE 38 2HD1 ILE 38 -12.023 4.840 6.913 299 3HD1 ILE 38 3HD1 ILE 38 -12.310 3.963 5.410 300 H MET 39 HN MET 39 -8.626 -0.681 4.840 301 HA MET 39 HA MET 39 -6.058 0.140 3.573 302 1HB MET 39 2HB MET 39 -6.124 -2.000 4.851 303 2HB MET 39 1HB MET 39 -7.350 -2.598 3.735 304 1HG MET 39 2HG MET 39 -5.596 -1.960 1.890 305 2HG MET 39 1HG MET 39 -4.443 -2.038 3.223 306 1HE MET 39 1HE MET 39 -6.566 -4.608 0.705 307 2HE MET 39 2HE MET 39 -7.414 -3.437 1.709 308 3HE MET 39 3HE MET 39 -7.490 -5.150 2.110 309 H VAL 40 HN VAL 40 -6.533 1.205 1.663 310 HA VAL 40 HA VAL 40 -8.732 0.203 -0.040 311 HB VAL 40 HB VAL 40 -6.850 2.537 -0.483 312 1HG1 VAL 40 1HG1 VAL 40 -7.782 2.431 -2.549 313 2HG1 VAL 40 2HG1 VAL 40 -9.240 3.044 -1.770 314 3HG1 VAL 40 3HG1 VAL 40 -9.036 1.310 -2.020 315 1HG2 VAL 40 1HG2 VAL 40 -8.488 2.449 1.596 316 2HG2 VAL 40 2HG2 VAL 40 -9.712 2.806 0.378 317 3HG2 VAL 40 3HG2 VAL 40 -8.364 3.916 0.626 318 H VAL 41 HN VAL 41 -8.329 -1.302 -1.549 319 HA VAL 41 HA VAL 41 -5.595 -1.407 -2.747 320 HB VAL 41 HB VAL 41 -6.117 -3.912 -3.036 321 1HG1 VAL 41 1HG1 VAL 41 -5.295 -4.415 -0.783 322 2HG1 VAL 41 2HG1 VAL 41 -5.761 -2.805 -0.237 323 3HG1 VAL 41 3HG1 VAL 41 -4.474 -2.995 -1.427 324 1HG2 VAL 41 1HG2 VAL 41 -7.829 -3.757 -0.627 325 2HG2 VAL 41 2HG2 VAL 41 -7.941 -4.831 -2.022 326 3HG2 VAL 41 3HG2 VAL 41 -8.591 -3.195 -2.115 327 H GLY 42 HN GLY 42 -5.931 -3.086 -4.785 328 1HA GLY 42 2HA GLY 42 -8.162 -1.893 -6.381 329 2HA GLY 42 1HA GLY 42 -6.596 -2.315 -7.072 330 H ARG 43 HN ARG 43 -9.349 -3.322 -7.715 331 HA ARG 43 HA ARG 43 -9.991 -5.853 -6.825 332 1HB ARG 43 2HB ARG 43 -11.216 -4.604 -8.592 333 2HB ARG 43 1HB ARG 43 -9.937 -5.007 -9.735 334 1HG ARG 43 2HG ARG 43 -10.908 -7.368 -8.318 335 2HG ARG 43 1HG ARG 43 -12.200 -6.548 -9.195 336 1HD ARG 43 2HD ARG 43 -9.526 -7.239 -10.438 337 2HD ARG 43 1HD ARG 43 -10.946 -8.277 -10.550 338 HE ARG 43 HE ARG 43 -11.443 -5.530 -11.411 339 1HH1 ARG 43 1HH2 ARG 43 -10.340 -8.698 -12.316 340 2HH1 ARG 43 2HH2 ARG 43 -10.715 -8.475 -13.990 341 1HH2 ARG 43 1HH1 ARG 43 -11.916 -5.253 -13.588 342 2HH2 ARG 43 2HH1 ARG 43 -11.603 -6.537 -14.708 343 H ARG 44 HN ARG 44 -7.164 -5.007 -8.744 344 HA ARG 44 HA ARG 44 -6.592 -7.753 -9.526 345 1HB ARG 44 2HB ARG 44 -5.231 -5.106 -9.741 346 2HB ARG 44 1HB ARG 44 -4.219 -6.547 -9.841 347 1HG ARG 44 2HG ARG 44 -5.594 -7.424 -11.665 348 2HG ARG 44 1HG ARG 44 -6.684 -6.043 -11.534 349 1HD ARG 44 2HD ARG 44 -5.076 -4.535 -12.357 350 2HD ARG 44 1HD ARG 44 -3.738 -5.623 -11.993 351 HE ARG 44 HE ARG 44 -4.125 -6.725 -14.049 352 1HH1 ARG 44 1HH1 ARG 44 -6.768 -4.631 -13.210 353 2HH1 ARG 44 2HH1 ARG 44 -7.529 -4.783 -14.755 354 1HH2 ARG 44 1HH2 ARG 44 -5.126 -6.910 -16.052 355 2HH2 ARG 44 2HH2 ARG 44 -6.608 -6.066 -16.355 356 H THR 45 HN THR 45 -5.345 -5.521 -7.027 357 HA THR 45 HA THR 45 -3.475 -7.450 -5.953 358 HB THR 45 HB THR 45 -4.661 -5.122 -4.436 359 HG1 THR 45 HG1 THR 45 -2.648 -5.179 -6.426 360 1HG2 THR 45 1HG2 THR 45 -2.565 -5.145 -3.266 361 2HG2 THR 45 2HG2 THR 45 -1.867 -6.284 -4.417 362 3HG2 THR 45 3HG2 THR 45 -3.135 -6.813 -3.311 363 H TYR 46 HN TYR 46 -6.688 -6.320 -4.825 364 HA TYR 46 HA TYR 46 -6.889 -7.935 -2.528 365 1HB TYR 46 2HB TYR 46 -8.547 -6.171 -3.410 366 2HB TYR 46 1HB TYR 46 -9.232 -7.478 -4.376 367 HD1 TYR 46 HD1 TYR 46 -10.513 -9.249 -3.367 368 HD2 TYR 46 HD2 TYR 46 -8.551 -6.315 -0.921 369 HE1 TYR 46 HE1 TYR 46 -11.777 -10.050 -1.389 370 HE2 TYR 46 HE2 TYR 46 -9.815 -7.115 1.055 371 HH TYR 46 HH TYR 46 -11.101 -9.814 1.445 372 H GLU 47 HN GLU 47 -7.559 -8.783 -5.914 373 HA GLU 47 HA GLU 47 -8.464 -11.469 -5.257 374 1HB GLU 47 2HB GLU 47 -7.829 -9.962 -7.765 375 2HB GLU 47 1HB GLU 47 -7.886 -11.724 -7.839 376 1HG GLU 47 HG2 GLU 47 -10.148 -11.768 -7.029 377 2HG GLU 47 HG1 GLU 47 -10.101 -10.051 -6.631 378 H SER 48 HN SER 48 -5.391 -9.953 -5.597 379 HA SER 48 HA SER 48 -4.014 -12.540 -6.071 380 1HB SER 48 2HB SER 48 -3.333 -10.376 -7.249 381 2HB SER 48 1HB SER 48 -2.737 -9.823 -5.687 382 HG SER 48 HG SER 48 -1.494 -11.826 -5.663 383 H PHE 49 HN PHE 49 -4.819 -10.330 -3.522 384 HA PHE 49 HA PHE 49 -2.829 -10.699 -1.605 385 1HB PHE 49 2HB PHE 49 -5.709 -10.106 -1.583 386 2HB PHE 49 1HB PHE 49 -5.150 -10.895 -0.112 387 HD1 PHE 49 HD1 PHE 49 -4.958 -7.873 -2.180 388 HD2 PHE 49 HD2 PHE 49 -3.436 -9.852 1.311 389 HE1 PHE 49 HE1 PHE 49 -4.009 -5.728 -1.374 390 HE2 PHE 49 HE2 PHE 49 -2.488 -7.715 2.115 391 HZ PHE 49 HZ PHE 49 -2.771 -5.649 0.773 392 HA PRO 50 HA PRO 50 -3.052 -15.027 -0.490 393 1HB PRO 50 2HB PRO 50 -1.771 -14.748 1.974 394 2HB PRO 50 1HB PRO 50 -0.960 -14.926 0.411 395 1HG PRO 50 2HG PRO 50 -1.014 -12.631 2.125 396 2HG PRO 50 1HG PRO 50 -0.189 -12.820 0.571 397 1HD PRO 50 2HD PRO 50 -2.704 -11.444 1.172 398 2HD PRO 50 1HD PRO 50 -1.676 -11.322 -0.264 399 H LYS 51 HN LYS 51 -3.588 -12.837 2.300 400 HA LYS 51 HA LYS 51 -5.851 -14.610 3.129 401 1HB LYS 51 2HB LYS 51 -3.735 -14.134 4.649 402 2HB LYS 51 1HB LYS 51 -4.583 -12.625 4.987 403 1HG LYS 51 2HG LYS 51 -6.650 -14.212 5.371 404 2HG LYS 51 1HG LYS 51 -5.407 -15.439 5.621 405 1HD LYS 51 2HD LYS 51 -5.007 -12.841 7.014 406 2HD LYS 51 1HD LYS 51 -6.307 -13.869 7.618 407 1HE LYS 51 2HE LYS 51 -4.652 -15.774 7.692 408 2HE LYS 51 1HE LYS 51 -3.385 -14.608 7.313 409 1HZ LYS 51 1HE LYS 51 -4.205 -13.323 9.293 410 2HZ LYS 51 2HE LYS 51 -3.434 -14.796 9.642 411 3HZ LYS 51 3HE LYS 51 -5.128 -14.685 9.706 412 H ARG 52 HN ARG 52 -7.804 -13.705 2.680 413 HA ARG 52 HA ARG 52 -8.110 -10.764 3.070 414 1HB ARG 52 2HB ARG 52 -9.424 -12.218 0.768 415 2HB ARG 52 1HB ARG 52 -9.298 -10.480 1.023 416 1HG ARG 52 2HG ARG 52 -7.420 -10.476 -0.207 417 2HG ARG 52 1HG ARG 52 -6.647 -11.471 1.023 418 1HD ARG 52 2HD ARG 52 -6.502 -12.601 -1.136 419 2HD ARG 52 1HD ARG 52 -7.588 -13.503 -0.078 420 HE ARG 52 HE ARG 52 -9.208 -11.709 -1.516 421 1HH1 ARG 52 1HH1 ARG 52 -7.036 -14.340 -2.153 422 2HH1 ARG 52 2HH1 ARG 52 -7.865 -14.831 -3.591 423 1HH2 ARG 52 1HH2 ARG 52 -10.278 -12.356 -3.385 424 2HH2 ARG 52 2HH2 ARG 52 -9.692 -13.714 -4.286 425 HA PRO 53 HA PRO 53 -9.270 -9.368 3.568 426 1HB PRO 53 2HB PRO 53 -10.765 -8.287 5.632 427 2HB PRO 53 1HB PRO 53 -11.248 -8.275 3.929 428 1HG PRO 53 2HG PRO 53 -12.450 -9.710 6.112 429 2HG PRO 53 1HG PRO 53 -12.972 -9.636 4.423 430 1HD PRO 53 2HD PRO 53 -11.479 -11.754 5.807 431 2HD PRO 53 1HD PRO 53 -12.352 -11.819 4.265 432 H LEU 54 HN LEU 54 -8.361 -7.945 5.501 433 HA LEU 54 HA LEU 54 -6.692 -9.706 7.121 434 1HB LEU 54 2HB LEU 54 -7.010 -6.690 7.103 435 2HB LEU 54 1HB LEU 54 -5.819 -7.556 8.072 436 HG LEU 54 HG LEU 54 -5.901 -8.246 5.185 437 1HD1 LEU 54 1HD1 LEU 54 -4.217 -6.147 5.040 438 2HD1 LEU 54 2HD1 LEU 54 -5.354 -5.511 6.228 439 3HD1 LEU 54 3HD1 LEU 54 -5.930 -6.014 4.638 440 1HD2 LEU 54 1HD2 LEU 54 -3.740 -7.710 7.247 441 2HD2 LEU 54 2HD2 LEU 54 -3.417 -8.180 5.578 442 3HD2 LEU 54 3HD2 LEU 54 -4.269 -9.285 6.655 443 HA PRO 55 HA PRO 55 -9.320 -10.030 10.674 444 1HB PRO 55 2HB PRO 55 -7.200 -10.369 12.520 445 2HB PRO 55 1HB PRO 55 -8.118 -11.639 11.701 446 1HG PRO 55 2HG PRO 55 -5.394 -10.859 11.279 447 2HG PRO 55 1HG PRO 55 -6.297 -12.167 10.505 448 1HD PRO 55 2HD PRO 55 -5.517 -9.630 9.386 449 2HD PRO 55 1HD PRO 55 -6.340 -10.978 8.591 450 H GLU 56 HN GLU 56 -10.143 -8.642 12.194 451 HA GLU 56 HA GLU 56 -10.457 -6.598 13.309 452 1HB GLU 56 2HB GLU 56 -7.616 -7.357 14.001 453 2HB GLU 56 1HB GLU 56 -8.415 -5.957 14.717 454 1HG GLU 56 HG2 GLU 56 -10.053 -8.402 14.769 455 2HG GLU 56 HG1 GLU 56 -8.562 -8.527 15.704 456 H ARG 57 HN ARG 57 -9.693 -6.326 10.513 457 HA ARG 57 HA ARG 57 -8.565 -3.585 10.675 458 1HB ARG 57 2HB ARG 57 -7.537 -5.796 8.879 459 2HB ARG 57 1HB ARG 57 -7.158 -4.089 8.641 460 1HG ARG 57 2HG ARG 57 -5.998 -3.944 10.704 461 2HG ARG 57 1HG ARG 57 -6.675 -5.464 11.284 462 1HD ARG 57 2HD ARG 57 -5.285 -5.871 8.781 463 2HD ARG 57 1HD ARG 57 -4.220 -5.110 9.961 464 HE ARG 57 HE ARG 57 -5.134 -7.837 10.051 465 1HH1 ARG 57 1HH2 ARG 57 -4.467 -5.060 12.024 466 2HH1 ARG 57 2HH2 ARG 57 -4.090 -6.000 13.426 467 1HH2 ARG 57 1HH1 ARG 57 -4.644 -9.049 11.882 468 2HH2 ARG 57 2HH1 ARG 57 -4.189 -8.246 13.348 469 H THR 58 HN THR 58 -9.656 -2.186 9.359 470 HA THR 58 HA THR 58 -11.869 -3.260 7.738 471 HB THR 58 HB THR 58 -11.078 -0.353 7.978 472 HG1 THR 58 HG1 THR 58 -12.699 -1.865 9.746 473 1HG2 THR 58 1HG2 THR 58 -12.869 -1.190 6.361 474 2HG2 THR 58 2HG2 THR 58 -13.378 0.058 7.498 475 3HG2 THR 58 3HG2 THR 58 -13.812 -1.627 7.786 476 H ASN 59 HN ASN 59 -11.670 -3.626 5.584 477 HA ASN 59 HA ASN 59 -9.501 -2.177 4.119 478 1HB ASN 59 2HB ASN 59 -10.390 -5.020 3.576 479 2HB ASN 59 1HB ASN 59 -9.003 -4.181 2.883 480 1HD2 ASN 59 1HD2 ASN 59 -10.141 -5.953 5.679 481 2HD2 ASN 59 2HD2 ASN 59 -8.688 -5.899 6.554 482 H VAL 60 HN VAL 60 -10.006 -1.511 2.003 483 HA VAL 60 HA VAL 60 -12.830 -1.967 1.132 484 HB VAL 60 HB VAL 60 -11.226 0.591 0.821 485 1HG1 VAL 60 1HG1 VAL 60 -13.655 -0.433 -0.399 486 2HG1 VAL 60 2HG1 VAL 60 -12.760 1.040 -0.768 487 3HG1 VAL 60 3HG1 VAL 60 -13.981 1.046 0.503 488 1HG2 VAL 60 1HG2 VAL 60 -12.426 1.498 2.624 489 2HG2 VAL 60 2HG2 VAL 60 -12.090 -0.141 3.183 490 3HG2 VAL 60 3HG2 VAL 60 -13.680 0.262 2.535 491 H VAL 61 HN VAL 61 -13.034 -2.573 -1.004 492 HA VAL 61 HA VAL 61 -10.500 -2.815 -2.553 493 HB VAL 61 HB VAL 61 -13.157 -4.093 -3.222 494 1HG1 VAL 61 1HG1 VAL 61 -11.806 -4.447 -5.055 495 2HG1 VAL 61 2HG1 VAL 61 -11.278 -5.805 -4.063 496 3HG1 VAL 61 3HG1 VAL 61 -10.319 -4.326 -4.115 497 1HG2 VAL 61 1HG2 VAL 61 -10.920 -5.248 -1.527 498 2HG2 VAL 61 2HG2 VAL 61 -12.411 -6.069 -1.989 499 3HG2 VAL 61 3HG2 VAL 61 -12.468 -4.687 -0.895 500 H LEU 62 HN LEU 62 -10.418 -2.144 -4.754 501 HA LEU 62 HA LEU 62 -12.555 -0.192 -5.523 502 1HB LEU 62 2HB LEU 62 -9.697 0.142 -5.290 503 2HB LEU 62 1HB LEU 62 -10.179 0.373 -6.970 504 HG LEU 62 HG LEU 62 -12.010 1.911 -6.123 505 1HD1 LEU 62 1HD1 LEU 62 -12.023 2.636 -3.887 506 2HD1 LEU 62 2HD1 LEU 62 -10.386 2.053 -3.589 507 3HD1 LEU 62 3HD1 LEU 62 -11.718 0.905 -3.734 508 1HD2 LEU 62 1HD2 LEU 62 -10.454 3.371 -6.875 509 2HD2 LEU 62 2HD2 LEU 62 -9.131 2.367 -6.283 510 3HD2 LEU 62 3HD2 LEU 62 -9.912 3.521 -5.203 511 H THR 63 HN THR 63 -13.667 -0.862 -7.287 512 HA THR 63 HA THR 63 -12.242 -2.251 -9.473 513 HB THR 63 HB THR 63 -12.988 -4.084 -7.999 514 HG1 THR 63 HG1 THR 63 -13.096 -4.329 -10.281 515 1HG2 THR 63 1HG2 THR 63 -15.818 -3.172 -8.512 516 2HG2 THR 63 2HG2 THR 63 -14.927 -2.670 -7.076 517 3HG2 THR 63 3HG2 THR 63 -15.252 -4.380 -7.359 518 H HIS 64 HN HIS 64 -13.568 -2.334 -11.453 519 HA HIS 64 HA HIS 64 -15.509 -0.084 -11.514 520 1HB HIS 64 2HB HIS 64 -13.705 -1.386 -13.503 521 2HB HIS 64 1HB HIS 64 -15.211 -0.695 -14.107 522 HD1 HIS 64 HD1 HIS 64 -15.603 1.897 -13.595 523 HD2 HIS 64 HD2 HIS 64 -11.752 0.501 -12.821 524 HE1 HIS 64 HE1 HIS 64 -14.130 3.945 -13.374 525 H GLN 65 HN GLN 65 -15.804 -3.215 -10.840 526 HA GLN 65 HA GLN 65 -17.885 -3.943 -12.785 527 1HB GLN 65 2HB GLN 65 -16.499 -5.279 -10.497 528 2HB GLN 65 1HB GLN 65 -18.094 -5.875 -10.954 529 1HG GLN 65 2HG GLN 65 -16.456 -7.129 -12.212 530 2HG GLN 65 1HG GLN 65 -17.267 -6.033 -13.331 531 1HE2 GLN 65 1HE2 GLN 65 -14.367 -6.064 -11.173 532 2HE2 GLN 65 2HE2 GLN 65 -13.388 -5.176 -12.239 533 H GLU 66 HN GLU 66 -20.036 -4.754 -11.814 534 HA GLU 66 HA GLU 66 -20.919 -2.838 -9.691 535 1HB GLU 66 2HB GLU 66 -21.788 -2.847 -12.271 536 2HB GLU 66 1HB GLU 66 -22.961 -3.937 -11.532 537 1HG GLU 66 HG2 GLU 66 -23.511 -2.261 -9.843 538 2HG GLU 66 HG1 GLU 66 -22.273 -1.178 -10.480 539 H ASP 67 HN ASP 67 -20.695 -6.148 -10.637 540 HA ASP 67 HA ASP 67 -22.662 -6.915 -8.525 541 1HB ASP 67 2HB ASP 67 -21.536 -8.446 -10.883 542 2HB ASP 67 1HB ASP 67 -22.513 -9.195 -9.620 543 H TYR 68 HN TYR 68 -19.744 -6.068 -8.215 544 HA TYR 68 HA TYR 68 -18.156 -8.348 -7.565 545 1HB TYR 68 2HB TYR 68 -17.571 -5.765 -7.710 546 2HB TYR 68 1HB TYR 68 -17.901 -5.819 -5.978 547 HD1 TYR 68 HD1 TYR 68 -15.848 -7.336 -8.688 548 HD2 TYR 68 HD2 TYR 68 -16.367 -6.818 -4.455 549 HE1 TYR 68 HE1 TYR 68 -13.615 -8.340 -8.292 550 HE2 TYR 68 HE2 TYR 68 -14.133 -7.821 -4.059 551 HH TYR 68 HH TYR 68 -11.830 -8.011 -6.027 552 H GLN 69 HN GLN 69 -18.716 -9.879 -6.079 553 HA GLN 69 HA GLN 69 -20.284 -9.030 -3.688 554 1HB GLN 69 2HB GLN 69 -19.717 -11.828 -4.721 555 2HB GLN 69 1HB GLN 69 -20.818 -11.401 -3.410 556 1HG GLN 69 2HG GLN 69 -21.151 -10.241 -6.174 557 2HG GLN 69 1HG GLN 69 -21.851 -11.801 -5.745 558 1HE2 GLN 69 1HE2 GLN 69 -22.717 -8.636 -5.976 559 2HE2 GLN 69 2HE2 GLN 69 -23.883 -8.555 -4.745 560 H ALA 70 HN ALA 70 -18.903 -8.467 -2.050 561 HA ALA 70 HA ALA 70 -16.774 -10.425 -1.350 562 1HB ALA 70 1HB ALA 70 -16.399 -7.476 -1.859 563 2HB ALA 70 2HB ALA 70 -15.484 -8.829 -2.524 564 3HB ALA 70 3HB ALA 70 -15.290 -8.381 -0.829 565 H GLN 71 HN GLN 71 -18.135 -11.016 0.453 566 HA GLN 71 HA GLN 71 -19.020 -9.020 2.377 567 1HB GLN 71 2HB GLN 71 -18.731 -12.036 2.581 568 2HB GLN 71 1HB GLN 71 -19.463 -11.025 3.827 569 1HG GLN 71 2HG GLN 71 -20.862 -10.151 1.699 570 2HG GLN 71 1HG GLN 71 -20.515 -11.791 1.151 571 1HE2 GLN 71 1HE2 GLN 71 -21.812 -13.444 2.006 572 2HE2 GLN 71 2HE2 GLN 71 -22.868 -13.253 3.321 573 H GLY 72 HN GLY 72 -18.084 -8.842 4.610 574 1HA GLY 72 2HA GLY 72 -16.282 -9.000 6.161 575 2HA GLY 72 1HA GLY 72 -15.367 -9.927 4.969 576 H ALA 73 HN ALA 73 -15.541 -8.174 2.773 577 HA ALA 73 HA ALA 73 -13.825 -5.936 3.713 578 1HB ALA 73 1HB ALA 73 -13.759 -7.743 1.443 579 2HB ALA 73 2HB ALA 73 -12.523 -6.613 1.996 580 3HB ALA 73 3HB ALA 73 -13.788 -6.066 0.897 581 H VAL 74 HN VAL 74 -14.107 -4.008 1.877 582 HA VAL 74 HA VAL 74 -17.047 -3.469 1.779 583 HB VAL 74 HB VAL 74 -14.773 -1.456 1.893 584 1HG1 VAL 74 1HG1 VAL 74 -17.738 -1.308 1.646 585 2HG1 VAL 74 2HG1 VAL 74 -16.501 -0.226 1.007 586 3HG1 VAL 74 3HG1 VAL 74 -16.968 -0.127 2.705 587 1HG2 VAL 74 1HG2 VAL 74 -16.511 -2.679 4.034 588 2HG2 VAL 74 2HG2 VAL 74 -15.824 -1.068 4.237 589 3HG2 VAL 74 3HG2 VAL 74 -14.761 -2.460 4.029 590 H VAL 75 HN VAL 75 -17.849 -2.958 -0.312 591 HA VAL 75 HA VAL 75 -15.802 -3.018 -2.479 592 HB VAL 75 HB VAL 75 -18.783 -3.557 -2.637 593 1HG1 VAL 75 1HG1 VAL 75 -17.477 -2.744 -4.708 594 2HG1 VAL 75 2HG1 VAL 75 -18.393 -4.242 -4.872 595 3HG1 VAL 75 3HG1 VAL 75 -16.646 -4.298 -4.638 596 1HG2 VAL 75 1HG2 VAL 75 -17.804 -5.319 -1.339 597 2HG2 VAL 75 2HG2 VAL 75 -16.391 -5.397 -2.392 598 3HG2 VAL 75 3HG2 VAL 75 -17.960 -5.945 -2.979 599 H VAL 76 HN VAL 76 -15.488 -1.186 -3.644 600 HA VAL 76 HA VAL 76 -17.706 0.785 -3.841 601 HB VAL 76 HB VAL 76 -16.099 2.642 -3.434 602 1HG1 VAL 76 1HG1 VAL 76 -15.768 0.997 -0.993 603 2HG1 VAL 76 2HG1 VAL 76 -17.421 1.134 -1.591 604 3HG1 VAL 76 3HG1 VAL 76 -16.505 2.587 -1.188 605 1HG2 VAL 76 1HG2 VAL 76 -14.066 1.277 -4.054 606 2HG2 VAL 76 2HG2 VAL 76 -14.216 0.456 -2.500 607 3HG2 VAL 76 3HG2 VAL 76 -13.892 2.188 -2.554 608 H HIS 77 HN HIS 77 -17.427 2.217 -5.735 609 HA HIS 77 HA HIS 77 -15.395 1.229 -7.687 610 1HB HIS 77 2HB HIS 77 -18.246 1.847 -8.482 611 2HB HIS 77 1HB HIS 77 -17.010 1.012 -9.422 612 HD1 HIS 77 HD1 HIS 77 -16.032 -1.193 -7.785 613 HD2 HIS 77 HD2 HIS 77 -20.029 -0.035 -7.558 614 HE1 HIS 77 HE1 HIS 77 -17.298 -3.173 -6.840 615 H ASP 78 HN ASP 78 -15.531 3.682 -6.039 616 HA ASP 78 HA ASP 78 -14.988 5.583 -8.165 617 1HB ASP 78 2HB ASP 78 -17.657 5.461 -7.110 618 2HB ASP 78 1HB ASP 78 -16.920 6.984 -6.613 619 H VAL 79 HN VAL 79 -13.075 6.219 -7.265 620 HA VAL 79 HA VAL 79 -12.200 6.290 -4.671 621 HB VAL 79 HB VAL 79 -11.732 8.351 -6.841 622 1HG1 VAL 79 1HG1 VAL 79 -11.193 9.432 -4.754 623 2HG1 VAL 79 2HG1 VAL 79 -9.674 8.920 -5.490 624 3HG1 VAL 79 3HG1 VAL 79 -10.368 7.991 -4.160 625 1HG2 VAL 79 1HG2 VAL 79 -9.752 7.097 -7.304 626 2HG2 VAL 79 2HG2 VAL 79 -11.037 5.902 -7.128 627 3HG2 VAL 79 3HG2 VAL 79 -9.900 6.175 -5.808 628 H ALA 80 HN ALA 80 -14.456 8.591 -6.118 629 HA ALA 80 HA ALA 80 -14.412 10.595 -4.108 630 1HB ALA 80 1HB ALA 80 -15.823 10.214 -6.421 631 2HB ALA 80 2HB ALA 80 -16.186 11.470 -5.237 632 3HB ALA 80 3HB ALA 80 -17.076 9.947 -5.209 633 H ALA 81 HN ALA 81 -16.257 7.554 -4.290 634 HA ALA 81 HA ALA 81 -17.753 7.982 -1.873 635 1HB ALA 81 1HB ALA 81 -18.709 6.278 -3.093 636 2HB ALA 81 2HB ALA 81 -17.700 5.303 -2.025 637 3HB ALA 81 3HB ALA 81 -17.153 5.672 -3.661 638 H VAL 82 HN VAL 82 -14.737 6.159 -2.543 639 HA VAL 82 HA VAL 82 -14.244 5.154 0.029 640 HB VAL 82 HB VAL 82 -12.096 6.347 -1.741 641 1HG1 VAL 82 1HG1 VAL 82 -11.823 5.268 0.700 642 2HG1 VAL 82 2HG1 VAL 82 -10.620 5.030 -0.567 643 3HG1 VAL 82 3HG1 VAL 82 -11.823 3.781 -0.248 644 1HG2 VAL 82 1HG2 VAL 82 -12.612 4.850 -3.341 645 2HG2 VAL 82 2HG2 VAL 82 -14.010 4.327 -2.404 646 3HG2 VAL 82 3HG2 VAL 82 -12.451 3.537 -2.175 647 H PHE 83 HN PHE 83 -13.550 8.402 -1.235 648 HA PHE 83 HA PHE 83 -12.141 9.380 1.042 649 1HB PHE 83 2HB PHE 83 -13.714 10.659 -1.177 650 2HB PHE 83 1HB PHE 83 -13.157 11.645 0.175 651 HD1 PHE 83 HD1 PHE 83 -12.308 10.718 -3.030 652 HD2 PHE 83 HD2 PHE 83 -10.591 10.887 0.903 653 HE1 PHE 83 HE1 PHE 83 -10.036 10.813 -4.024 654 HE2 PHE 83 HE2 PHE 83 -8.323 10.982 -0.092 655 HZ PHE 83 HZ PHE 83 -8.045 10.943 -2.554 656 H ALA 84 HN ALA 84 -15.612 9.286 0.283 657 HA ALA 84 HA ALA 84 -16.566 10.851 2.438 658 1HB ALA 84 1HB ALA 84 -18.347 8.643 2.046 659 2HB ALA 84 2HB ALA 84 -17.681 9.102 0.478 660 3HB ALA 84 3HB ALA 84 -18.516 10.300 1.466 661 H TYR 85 HN TYR 85 -16.477 7.261 2.378 662 HA TYR 85 HA TYR 85 -17.115 6.712 5.002 663 1HB TYR 85 2HB TYR 85 -16.393 5.126 3.053 664 2HB TYR 85 1HB TYR 85 -14.788 5.265 3.771 665 HD1 TYR 85 HD1 TYR 85 -18.349 4.652 4.790 666 HD2 TYR 85 HD2 TYR 85 -14.199 3.789 5.476 667 HE1 TYR 85 HE1 TYR 85 -18.980 2.996 6.527 668 HE2 TYR 85 HE2 TYR 85 -14.828 2.134 7.212 669 HH TYR 85 HH TYR 85 -16.680 1.626 8.679 670 H ALA 86 HN ALA 86 -13.723 7.193 3.912 671 HA ALA 86 HA ALA 86 -12.481 7.098 6.420 672 1HB ALA 86 1HB ALA 86 -11.756 7.870 3.805 673 2HB ALA 86 2HB ALA 86 -10.678 7.617 5.177 674 3HB ALA 86 3HB ALA 86 -11.319 9.225 4.845 675 H LYS 87 HN LYS 87 -13.930 9.944 4.830 676 HA LYS 87 HA LYS 87 -13.344 11.776 6.969 677 1HB LYS 87 2HB LYS 87 -14.318 12.042 4.434 678 2HB LYS 87 1HB LYS 87 -15.792 12.263 5.377 679 1HG LYS 87 2HG LYS 87 -14.424 13.904 6.813 680 2HG LYS 87 1HG LYS 87 -13.235 13.862 5.511 681 1HD LYS 87 2HD LYS 87 -15.521 14.250 4.081 682 2HD LYS 87 1HD LYS 87 -15.922 15.103 5.572 683 1HE LYS 87 2HE LYS 87 -14.823 16.815 4.505 684 2HE LYS 87 1HE LYS 87 -13.420 16.027 5.224 685 1HZ LYS 87 1HE LYS 87 -12.999 14.867 3.212 686 2HZ LYS 87 2HE LYS 87 -13.214 16.503 2.808 687 3HZ LYS 87 3HE LYS 87 -14.460 15.384 2.522 688 H GLN 88 HN GLN 88 -15.721 9.294 6.592 689 HA GLN 88 HA GLN 88 -17.562 10.460 8.564 690 1HB GLN 88 2HB GLN 88 -17.871 8.684 6.473 691 2HB GLN 88 1HB GLN 88 -17.934 7.628 7.883 692 1HG GLN 88 2HG GLN 88 -20.018 8.329 8.356 693 2HG GLN 88 1HG GLN 88 -19.466 10.002 8.429 694 1HE2 GLN 88 1HE2 GLN 88 -18.900 10.787 5.942 695 2HE2 GLN 88 2HE2 GLN 88 -20.172 10.505 4.854 696 H HIS 89 HN HIS 89 -15.158 7.817 8.469 697 HA HIS 89 HA HIS 89 -15.811 7.084 11.245 698 1HB HIS 89 2HB HIS 89 -14.111 5.973 9.065 699 2HB HIS 89 1HB HIS 89 -13.641 5.604 10.725 700 HD1 HIS 89 HD1 HIS 89 -14.862 3.712 11.807 701 HD2 HIS 89 HD2 HIS 89 -16.991 5.271 8.580 702 HE1 HIS 89 HE1 HIS 89 -16.900 2.238 11.515 703 HA PRO 90 HA PRO 90 -12.621 9.918 12.742 704 1HB PRO 90 2HB PRO 90 -13.471 9.719 15.372 705 2HB PRO 90 1HB PRO 90 -14.114 10.863 14.184 706 1HG PRO 90 2HG PRO 90 -15.425 8.594 15.385 707 2HG PRO 90 1HG PRO 90 -16.100 9.816 14.298 708 1HD PRO 90 2HD PRO 90 -15.253 7.089 13.689 709 2HD PRO 90 1HD PRO 90 -16.193 8.218 12.697 710 H ASP 91 HN ASP 91 -12.698 6.679 12.854 711 HA ASP 91 HA ASP 91 -10.296 6.543 14.611 712 1HB ASP 91 2HB ASP 91 -12.650 5.622 15.548 713 2HB ASP 91 1HB ASP 91 -12.129 4.198 14.647 714 H GLN 92 HN GLN 92 -11.331 6.285 11.598 715 HA GLN 92 HA GLN 92 -9.332 4.220 10.894 716 1HB GLN 92 2HB GLN 92 -12.125 3.707 10.861 717 2HB GLN 92 1HB GLN 92 -11.652 3.945 9.181 718 1HG GLN 92 2HG GLN 92 -10.885 1.829 9.184 719 2HG GLN 92 1HG GLN 92 -9.614 2.361 10.282 720 1HE2 GLN 92 1HE2 GLN 92 -13.047 1.257 10.353 721 2HE2 GLN 92 2HE2 GLN 92 -12.920 0.479 11.856 722 H GLU 93 HN GLU 93 -7.993 5.721 9.761 723 HA GLU 93 HA GLU 93 -9.247 7.759 8.082 724 1HB GLU 93 2HB GLU 93 -6.436 7.011 8.844 725 2HB GLU 93 1HB GLU 93 -6.711 8.086 7.475 726 1HG GLU 93 HG2 GLU 93 -8.389 8.964 9.612 727 2HG GLU 93 HG1 GLU 93 -6.769 8.723 10.266 728 H LEU 94 HN LEU 94 -7.566 7.822 5.887 729 HA LEU 94 HA LEU 94 -8.446 5.379 4.432 730 1HB LEU 94 2HB LEU 94 -8.884 7.940 3.765 731 2HB LEU 94 1HB LEU 94 -7.312 7.732 2.996 732 HG LEU 94 HG LEU 94 -8.302 5.556 2.010 733 1HD1 LEU 94 1HD1 LEU 94 -10.961 6.850 2.142 734 2HD1 LEU 94 2HD1 LEU 94 -10.400 6.138 3.655 735 3HD1 LEU 94 3HD1 LEU 94 -10.537 5.140 2.207 736 1HD2 LEU 94 1HD2 LEU 94 -9.163 8.347 1.220 737 2HD2 LEU 94 2HD2 LEU 94 -9.510 6.937 0.218 738 3HD2 LEU 94 3HD2 LEU 94 -7.839 7.391 0.553 739 H VAL 95 HN VAL 95 -6.877 3.851 4.245 740 HA VAL 95 HA VAL 95 -4.062 4.791 3.840 741 HB VAL 95 HB VAL 95 -4.954 2.166 5.078 742 1HG1 VAL 95 1HG1 VAL 95 -2.718 2.349 3.796 743 2HG1 VAL 95 2HG1 VAL 95 -2.659 1.729 5.446 744 3HG1 VAL 95 3HG1 VAL 95 -2.202 3.400 5.114 745 1HG2 VAL 95 1HG2 VAL 95 -5.460 3.915 6.644 746 2HG2 VAL 95 2HG2 VAL 95 -3.952 4.756 6.285 747 3HG2 VAL 95 3HG2 VAL 95 -3.921 3.222 7.156 748 H ILE 96 HN ILE 96 -3.260 4.294 1.875 749 HA ILE 96 HA ILE 96 -4.814 2.564 0.080 750 HB ILE 96 HB ILE 96 -2.193 3.949 -0.501 751 1HG1 ILE 96 2HG1 ILE 96 -3.932 5.516 0.448 752 2HG1 ILE 96 1HG1 ILE 96 -3.459 5.891 -1.204 753 1HG2 ILE 96 1HG2 ILE 96 -3.377 4.016 -2.815 754 2HG2 ILE 96 2HG2 ILE 96 -4.428 2.771 -2.141 755 3HG2 ILE 96 3HG2 ILE 96 -2.693 2.485 -2.272 756 1HD1 ILE 96 1HD1 ILE 96 -5.498 5.318 -2.063 757 2HD1 ILE 96 2HD1 ILE 96 -6.039 5.685 -0.425 758 3HD1 ILE 96 3HD1 ILE 96 -5.735 4.015 -0.900 759 H ALA 97 HN ALA 97 -3.990 0.690 -0.937 760 HA ALA 97 HA ALA 97 -1.503 -0.452 0.249 761 1HB ALA 97 1HB ALA 97 -2.931 -2.696 -0.228 762 2HB ALA 97 2HB ALA 97 -4.248 -1.591 0.165 763 3HB ALA 97 3HB ALA 97 -2.952 -1.866 1.328 764 H GLY 98 HN GLY 98 -3.070 0.581 -2.485 765 1HA GLY 98 2HA GLY 98 -2.034 0.534 -4.647 766 2HA GLY 98 1HA GLY 98 -1.190 -0.941 -4.191 767 H GLY 99 HN GLY 99 -3.502 -2.465 -6.435 768 1HA GLY 99 2HA GLY 99 -0.766 -2.100 -5.640 769 2HA GLY 99 1HA GLY 99 -1.320 -2.638 -7.219 770 H ALA 100 HN ALA 100 -0.029 -1.371 -8.499 771 HA ALA 100 HA ALA 100 0.623 1.370 -8.032 772 1HB ALA 100 1HB ALA 100 0.491 -0.087 -10.686 773 2HB ALA 100 2HB ALA 100 1.868 -0.121 -9.585 774 3HB ALA 100 3HB ALA 100 1.389 1.394 -10.352 775 H GLN 101 HN GLN 101 -2.027 -0.128 -9.862 776 HA GLN 101 HA GLN 101 -2.993 2.216 -11.116 777 1HB GLN 101 2HB GLN 101 -3.961 -0.467 -10.615 778 2HB GLN 101 1HB GLN 101 -5.267 0.702 -10.412 779 1HG GLN 101 2HG GLN 101 -5.027 1.530 -12.614 780 2HG GLN 101 1HG GLN 101 -3.422 0.821 -12.797 781 1HE2 GLN 101 1HE2 GLN 101 -3.491 -1.745 -12.493 782 2HE2 GLN 101 2HE2 GLN 101 -4.765 -2.528 -13.295 783 H ILE 102 HN ILE 102 -3.632 0.970 -7.806 784 HA ILE 102 HA ILE 102 -5.575 3.038 -7.251 785 HB ILE 102 HB ILE 102 -3.993 1.313 -5.324 786 1HG1 ILE 102 2HG1 ILE 102 -5.150 -0.082 -6.972 787 2HG1 ILE 102 1HG1 ILE 102 -5.989 -0.179 -5.425 788 1HG2 ILE 102 1HG2 ILE 102 -5.072 3.042 -4.099 789 2HG2 ILE 102 2HG2 ILE 102 -6.146 1.649 -3.973 790 3HG2 ILE 102 3HG2 ILE 102 -6.521 2.952 -5.101 791 1HD1 ILE 102 1HD1 ILE 102 -7.215 1.983 -6.627 792 2HD1 ILE 102 2HD1 ILE 102 -7.855 0.342 -6.602 793 3HD1 ILE 102 3HD1 ILE 102 -6.925 0.904 -7.990 794 H PHE 103 HN PHE 103 -2.061 2.833 -6.982 795 HA PHE 103 HA PHE 103 -1.836 5.063 -5.136 796 1HB PHE 103 2HB PHE 103 0.137 3.742 -7.019 797 2HB PHE 103 1HB PHE 103 0.571 5.067 -5.941 798 HD1 PHE 103 HD1 PHE 103 1.098 1.788 -6.161 799 HD2 PHE 103 HD2 PHE 103 -0.900 4.498 -3.492 800 HE1 PHE 103 HE1 PHE 103 1.396 0.176 -4.301 801 HE2 PHE 103 HE2 PHE 103 -0.604 2.884 -1.632 802 HZ PHE 103 HZ PHE 103 0.545 0.724 -2.036 803 H THR 104 HN THR 104 -2.276 4.726 -8.568 804 HA THR 104 HA THR 104 -1.292 7.374 -9.268 805 HB THR 104 HB THR 104 -3.277 5.803 -10.901 806 HG1 THR 104 HG1 THR 104 -0.591 5.304 -11.294 807 1HG2 THR 104 1HG2 THR 104 -0.853 7.103 -12.025 808 2HG2 THR 104 2HG2 THR 104 -2.082 8.178 -11.362 809 3HG2 THR 104 3HG2 THR 104 -2.500 7.053 -12.654 810 H ALA 105 HN ALA 105 -4.564 5.944 -8.952 811 HA ALA 105 HA ALA 105 -5.979 8.373 -9.444 812 1HB ALA 105 1HB ALA 105 -6.628 5.755 -8.162 813 2HB ALA 105 2HB ALA 105 -7.398 6.557 -9.531 814 3HB ALA 105 3HB ALA 105 -7.733 7.101 -7.887 815 H PHE 106 HN PHE 106 -4.443 7.148 -6.527 816 HA PHE 106 HA PHE 106 -5.668 9.358 -4.953 817 1HB PHE 106 2HB PHE 106 -4.183 6.844 -4.191 818 2HB PHE 106 1HB PHE 106 -4.504 8.127 -3.024 819 HD1 PHE 106 HD1 PHE 106 -6.786 8.665 -2.331 820 HD2 PHE 106 HD2 PHE 106 -6.002 5.516 -5.137 821 HE1 PHE 106 HE1 PHE 106 -9.093 7.812 -2.022 822 HE2 PHE 106 HE2 PHE 106 -8.305 4.662 -4.830 823 HZ PHE 106 HZ PHE 106 -9.852 5.811 -3.271 824 H LYS 107 HN LYS 107 -2.957 8.977 -6.819 825 HA LYS 107 HA LYS 107 -0.853 9.889 -5.152 826 1HB LYS 107 2HB LYS 107 0.377 10.286 -7.111 827 2HB LYS 107 1HB LYS 107 -0.765 9.040 -7.598 828 1HG LYS 107 2HG LYS 107 -2.140 10.608 -8.756 829 2HG LYS 107 1HG LYS 107 -1.330 11.984 -8.011 830 1HD LYS 107 2HD LYS 107 0.364 10.093 -9.569 831 2HD LYS 107 1HD LYS 107 -0.705 11.164 -10.477 832 1HE LYS 107 2HE LYS 107 0.399 13.074 -9.798 833 2HE LYS 107 1HE LYS 107 0.899 12.365 -8.263 834 1HZ LYS 107 1HE LYS 107 2.282 10.824 -9.822 835 2HZ LYS 107 2HE LYS 107 2.860 12.366 -9.404 836 3HZ LYS 107 3HE LYS 107 2.126 12.111 -10.915 837 H ASP 108 HN ASP 108 -3.316 11.784 -6.930 838 HA ASP 108 HA ASP 108 -2.156 14.340 -6.351 839 1HB ASP 108 2HB ASP 108 -4.109 13.581 -7.986 840 2HB ASP 108 1HB ASP 108 -5.117 14.028 -6.609 841 H ASP 109 HN ASP 109 -4.460 12.312 -4.563 842 HA ASP 109 HA ASP 109 -4.524 14.392 -2.421 843 1HB ASP 109 2HB ASP 109 -6.396 12.168 -3.204 844 2HB ASP 109 1HB ASP 109 -6.446 12.846 -1.577 845 H VAL 110 HN VAL 110 -2.421 13.761 -1.531 846 HA VAL 110 HA VAL 110 -2.517 11.118 -0.130 847 HB VAL 110 HB VAL 110 0.005 12.619 -0.849 848 1HG1 VAL 110 1HG1 VAL 110 0.474 9.881 -0.729 849 2HG1 VAL 110 2HG1 VAL 110 -0.687 10.160 0.569 850 3HG1 VAL 110 3HG1 VAL 110 0.835 11.049 0.542 851 1HG2 VAL 110 1HG2 VAL 110 -0.048 10.475 -2.545 852 2HG2 VAL 110 2HG2 VAL 110 -0.519 12.109 -3.003 853 3HG2 VAL 110 3HG2 VAL 110 -1.751 10.936 -2.533 854 H ASP 111 HN ASP 111 -1.714 11.103 2.040 855 HA ASP 111 HA ASP 111 -1.345 13.802 3.271 856 1HB ASP 111 2HB ASP 111 -3.585 12.327 3.648 857 2HB ASP 111 1HB ASP 111 -2.567 11.653 4.921 858 H THR 112 HN THR 112 -0.598 10.355 3.321 859 HA THR 112 HA THR 112 1.957 10.959 4.677 860 HB THR 112 HB THR 112 0.212 8.743 5.759 861 HG1 THR 112 HG1 THR 112 0.412 11.444 6.591 862 1HG2 THR 112 1HG2 THR 112 2.740 8.849 6.124 863 2HG2 THR 112 2HG2 THR 112 1.749 8.750 7.580 864 3HG2 THR 112 3HG2 THR 112 2.439 10.296 7.086 865 H LEU 113 HN LEU 113 3.525 9.822 3.627 866 HA LEU 113 HA LEU 113 2.663 7.520 1.939 867 1HB LEU 113 2HB LEU 113 5.218 9.152 1.847 868 2HB LEU 113 1HB LEU 113 4.768 7.878 0.714 869 HG LEU 113 HG LEU 113 2.944 10.228 1.190 870 1HD1 LEU 113 1HD1 LEU 113 4.231 11.641 -0.016 871 2HD1 LEU 113 2HD1 LEU 113 4.574 10.407 -1.228 872 3HD1 LEU 113 3HD1 LEU 113 5.553 10.502 0.235 873 1HD2 LEU 113 1HD2 LEU 113 3.348 8.127 -0.941 874 2HD2 LEU 113 2HD2 LEU 113 2.453 9.608 -1.280 875 3HD2 LEU 113 3HD2 LEU 113 1.884 8.500 -0.031 876 H LEU 114 HN LEU 114 3.409 5.479 2.361 877 HA LEU 114 HA LEU 114 5.546 5.192 4.432 878 1HB LEU 114 2HB LEU 114 3.120 3.419 3.989 879 2HB LEU 114 1HB LEU 114 4.397 3.127 5.170 880 HG LEU 114 HG LEU 114 3.107 5.807 5.241 881 1HD1 LEU 114 1HD1 LEU 114 1.166 4.332 4.925 882 2HD1 LEU 114 2HD1 LEU 114 1.217 4.929 6.583 883 3HD1 LEU 114 3HD1 LEU 114 1.738 3.283 6.222 884 1HD2 LEU 114 1HD2 LEU 114 4.806 5.361 6.861 885 2HD2 LEU 114 2HD2 LEU 114 4.134 3.774 7.233 886 3HD2 LEU 114 3HD2 LEU 114 3.278 5.232 7.731 887 H VAL 115 HN VAL 115 7.258 4.696 3.169 888 HA VAL 115 HA VAL 115 6.899 2.497 1.162 889 HB VAL 115 HB VAL 115 7.419 4.721 0.165 890 1HG1 VAL 115 1HG1 VAL 115 9.690 5.639 0.477 891 2HG1 VAL 115 2HG1 VAL 115 10.037 4.377 1.660 892 3HG1 VAL 115 3HG1 VAL 115 8.810 5.596 2.005 893 1HG2 VAL 115 1HG2 VAL 115 9.406 2.453 -0.065 894 2HG2 VAL 115 2HG2 VAL 115 9.483 3.871 -1.112 895 3HG2 VAL 115 3HG2 VAL 115 8.056 2.834 -1.136 896 H THR 116 HN THR 116 8.256 0.774 1.228 897 HA THR 116 HA THR 116 10.357 0.765 3.358 898 HB THR 116 HB THR 116 9.311 -1.755 2.108 899 HG1 THR 116 HG1 THR 116 7.609 -1.760 3.578 900 1HG2 THR 116 1HG2 THR 116 9.704 -2.563 4.447 901 2HG2 THR 116 2HG2 THR 116 10.284 -0.950 4.860 902 3HG2 THR 116 3HG2 THR 116 11.153 -1.922 3.673 903 H ARG 117 HN ARG 117 12.338 1.073 2.419 904 HA ARG 117 HA ARG 117 12.746 0.170 -0.374 905 1HB ARG 117 2HB ARG 117 14.050 2.136 1.441 906 2HB ARG 117 1HB ARG 117 15.079 1.357 0.238 907 1HG ARG 117 2HG ARG 117 13.468 2.006 -1.536 908 2HG ARG 117 1HG ARG 117 12.494 2.839 -0.324 909 1HD ARG 117 2HD ARG 117 15.072 3.825 0.089 910 2HD ARG 117 1HD ARG 117 14.925 3.729 -1.666 911 HE ARG 117 HE ARG 117 13.494 5.571 0.064 912 1HH1 ARG 117 1HH2 ARG 117 13.375 3.742 -2.883 913 2HH1 ARG 117 2HH2 ARG 117 12.250 4.815 -3.642 914 1HH2 ARG 117 1HH1 ARG 117 12.030 6.959 -0.933 915 2HH2 ARG 117 2HH1 ARG 117 11.492 6.627 -2.545 916 H LEU 118 HN LEU 118 13.557 -1.822 -0.685 917 HA LEU 118 HA LEU 118 14.948 -3.239 1.480 918 1HB LEU 118 2HB LEU 118 13.932 -3.945 -1.250 919 2HB LEU 118 1HB LEU 118 15.179 -4.962 -0.528 920 HG LEU 118 HG LEU 118 13.681 -5.012 1.564 921 1HD1 LEU 118 1HD1 LEU 118 11.277 -4.629 1.109 922 2HD1 LEU 118 2HD1 LEU 118 11.684 -4.051 -0.507 923 3HD1 LEU 118 3HD1 LEU 118 12.214 -3.147 0.912 924 1HD2 LEU 118 1HD2 LEU 118 13.941 -6.726 -0.486 925 2HD2 LEU 118 2HD2 LEU 118 12.237 -6.321 -0.694 926 3HD2 LEU 118 3HD2 LEU 118 12.800 -7.011 0.828 927 H ALA 119 HN ALA 119 17.128 -4.090 1.236 928 HA ALA 119 HA ALA 119 18.907 -2.187 -0.106 929 1HB ALA 119 1HB ALA 119 19.287 -3.320 2.187 930 2HB ALA 119 2HB ALA 119 20.663 -3.227 1.088 931 3HB ALA 119 3HB ALA 119 19.769 -4.738 1.255 932 H GLY 120 HN GLY 120 17.702 -5.438 -0.671 933 1HA GLY 120 2HA GLY 120 19.706 -6.144 -2.644 934 2HA GLY 120 1HA GLY 120 18.169 -6.973 -2.393 935 H SER 121 HN SER 121 19.039 -6.573 -4.980 936 HA SER 121 HA SER 121 17.238 -4.387 -5.949 937 1HB SER 121 2HB SER 121 19.639 -5.505 -7.415 938 2HB SER 121 1HB SER 121 18.692 -4.084 -7.844 939 HG SER 121 HG SER 121 20.348 -4.462 -5.568 940 H PHE 122 HN PHE 122 15.415 -5.303 -6.801 941 HA PHE 122 HA PHE 122 15.693 -7.952 -8.152 942 1HB PHE 122 2HB PHE 122 13.174 -6.686 -7.035 943 2HB PHE 122 1HB PHE 122 13.366 -8.343 -7.611 944 HD1 PHE 122 HD1 PHE 122 14.405 -10.037 -6.250 945 HD2 PHE 122 HD2 PHE 122 14.319 -5.943 -4.952 946 HE1 PHE 122 HE1 PHE 122 15.159 -10.736 -3.992 947 HE2 PHE 122 HE2 PHE 122 15.071 -6.642 -2.694 948 HZ PHE 122 HZ PHE 122 15.492 -9.038 -2.214 949 H GLU 123 HN GLU 123 14.234 -8.247 -10.056 950 HA GLU 123 HA GLU 123 13.892 -5.662 -11.528 951 1HB GLU 123 2HB GLU 123 14.156 -7.062 -13.609 952 2HB GLU 123 1HB GLU 123 15.603 -6.984 -12.604 953 1HG GLU 123 HG2 GLU 123 13.878 -9.175 -11.779 954 2HG GLU 123 HG1 GLU 123 14.304 -9.309 -13.485 955 H GLY 124 HN GLY 124 12.116 -5.730 -13.183 956 1HA GLY 124 2HA GLY 124 10.069 -7.694 -13.233 957 2HA GLY 124 1HA GLY 124 9.626 -6.497 -12.015 958 H ASP 125 HN ASP 125 7.822 -5.729 -13.358 959 HA ASP 125 HA ASP 125 8.755 -3.912 -15.512 960 1HB ASP 125 2HB ASP 125 6.726 -6.116 -15.739 961 2HB ASP 125 1HB ASP 125 6.527 -4.650 -16.699 962 H THR 126 HN THR 126 6.857 -4.479 -12.755 963 HA THR 126 HA THR 126 5.208 -2.044 -13.308 964 HB THR 126 HB THR 126 4.574 -4.146 -11.231 965 HG1 THR 126 HG1 THR 126 3.694 -4.002 -13.923 966 1HG2 THR 126 1HG2 THR 126 2.753 -2.267 -12.747 967 2HG2 THR 126 2HG2 THR 126 3.506 -1.834 -11.212 968 3HG2 THR 126 3HG2 THR 126 2.382 -3.191 -11.292 969 H LYS 127 HN LYS 127 5.703 -0.300 -12.081 970 HA LYS 127 HA LYS 127 7.041 -0.748 -9.433 971 1HB LYS 127 2HB LYS 127 7.693 1.458 -11.416 972 2HB LYS 127 1HB LYS 127 8.514 1.135 -9.892 973 1HG LYS 127 2HG LYS 127 9.005 -1.203 -10.850 974 2HG LYS 127 1HG LYS 127 8.528 -0.532 -12.408 975 1HD LYS 127 2HD LYS 127 10.526 0.476 -12.643 976 2HD LYS 127 1HD LYS 127 10.345 1.281 -11.085 977 1HE LYS 127 2HE LYS 127 12.272 -0.037 -10.782 978 2HE LYS 127 1HE LYS 127 10.996 -1.024 -10.071 979 1HZ LYS 127 1HE LYS 127 11.618 -1.331 -12.924 980 2HZ LYS 127 2HE LYS 127 11.004 -2.471 -11.824 981 3HZ LYS 127 3HE LYS 127 12.647 -2.044 -11.780 982 H MET 128 HN MET 128 6.865 1.247 -8.034 983 HA MET 128 HA MET 128 4.135 2.059 -7.793 984 1HB MET 128 2HB MET 128 6.186 2.086 -6.082 985 2HB MET 128 1HB MET 128 6.303 3.758 -6.632 986 1HG MET 128 2HG MET 128 3.566 2.823 -5.987 987 2HG MET 128 1HG MET 128 4.664 2.952 -4.614 988 1HE MET 128 1HE MET 128 2.301 4.237 -4.529 989 2HE MET 128 2HE MET 128 2.244 5.991 -4.681 990 3HE MET 128 3HE MET 128 3.262 5.253 -3.447 991 H ILE 129 HN ILE 129 3.292 4.265 -8.038 992 HA ILE 129 HA ILE 129 4.060 5.435 -10.575 993 HB ILE 129 HB ILE 129 2.292 7.082 -10.074 994 1HG1 ILE 129 2HG1 ILE 129 1.438 5.844 -7.559 995 2HG1 ILE 129 1HG1 ILE 129 3.013 6.625 -7.420 996 1HG2 ILE 129 1HG2 ILE 129 1.485 5.033 -10.980 997 2HG2 ILE 129 2HG2 ILE 129 0.439 5.376 -9.603 998 3HG2 ILE 129 3HG2 ILE 129 1.724 4.179 -9.455 999 1HD1 ILE 129 1HD1 ILE 129 2.099 8.708 -8.311 1000 2HD1 ILE 129 2HD1 ILE 129 1.132 8.187 -6.931 1001 3HD1 ILE 129 3HD1 ILE 129 0.535 7.937 -8.572 1002 HA PRO 130 HA PRO 130 6.943 8.561 -9.415 1003 1HB PRO 130 2HB PRO 130 5.670 10.745 -10.770 1004 2HB PRO 130 1HB PRO 130 7.033 9.764 -11.322 1005 1HG PRO 130 2HG PRO 130 4.416 9.775 -12.365 1006 2HG PRO 130 1HG PRO 130 5.725 8.658 -12.774 1007 1HD PRO 130 2HD PRO 130 3.349 8.189 -11.151 1008 2HD PRO 130 1HD PRO 130 4.488 7.017 -11.829 1009 H LEU 131 HN LEU 131 6.663 8.955 -7.214 1010 HA LEU 131 HA LEU 131 4.418 10.633 -6.299 1011 1HB LEU 131 2HB LEU 131 6.528 8.961 -5.013 1012 2HB LEU 131 1HB LEU 131 5.893 10.314 -4.077 1013 HG LEU 131 HG LEU 131 4.101 8.297 -5.444 1014 1HD1 LEU 131 1HD1 LEU 131 4.918 8.315 -2.527 1015 2HD1 LEU 131 2HD1 LEU 131 5.663 7.263 -3.730 1016 3HD1 LEU 131 3HD1 LEU 131 3.947 7.104 -3.362 1017 1HD2 LEU 131 1HD2 LEU 131 3.537 10.046 -3.044 1018 2HD2 LEU 131 2HD2 LEU 131 2.381 9.247 -4.110 1019 3HD2 LEU 131 3HD2 LEU 131 3.301 10.635 -4.689 1020 H ASN 132 HN ASN 132 4.723 12.685 -5.279 1021 HA ASN 132 HA ASN 132 7.085 14.148 -6.290 1022 1HB ASN 132 2HB ASN 132 4.348 14.837 -5.421 1023 2HB ASN 132 1HB ASN 132 5.582 15.997 -4.930 1024 1HD2 ASN 132 1HD2 ASN 132 5.690 17.643 -6.458 1025 2HD2 ASN 132 2HD2 ASN 132 5.605 17.421 -8.139 1026 H TRP 133 HN TRP 133 8.313 12.704 -4.622 1027 HA TRP 133 HA TRP 133 8.138 13.015 -1.841 1028 1HB TRP 133 2HB TRP 133 10.711 12.871 -3.441 1029 2HB TRP 133 1HB TRP 133 10.501 12.418 -1.750 1030 HD1 TRP 133 HD1 TRP 133 9.985 11.174 -5.267 1031 HE1 TRP 133 HE1 TRP 133 9.106 8.752 -5.205 1032 HE3 TRP 133 HE3 TRP 133 8.995 10.720 -0.277 1033 HZ2 TRP 133 HZ2 TRP 133 8.115 6.870 -3.293 1034 HZ3 TRP 133 HZ3 TRP 133 8.086 8.604 0.636 1035 HH2 TRP 133 HH2 TRP 133 7.645 6.680 -0.864 1036 H ASP 134 HN ASP 134 9.393 15.268 -4.234 1037 HA ASP 134 HA ASP 134 10.822 17.001 -2.480 1038 1HB ASP 134 2HB ASP 134 10.309 16.940 -5.183 1039 2HB ASP 134 1HB ASP 134 9.360 18.333 -4.664 1040 H ASP 135 HN ASP 135 7.382 16.677 -3.167 1041 HA ASP 135 HA ASP 135 6.736 19.137 -1.677 1042 1HB ASP 135 2HB ASP 135 5.224 17.144 -3.306 1043 2HB ASP 135 1HB ASP 135 4.331 18.034 -2.072 1044 H PHE 136 HN PHE 136 7.553 16.023 -0.820 1045 HA PHE 136 HA PHE 136 5.863 16.170 1.647 1046 1HB PHE 136 2HB PHE 136 6.881 13.784 0.096 1047 2HB PHE 136 1HB PHE 136 6.295 13.649 1.754 1048 HD1 PHE 136 HD1 PHE 136 5.319 14.909 -1.627 1049 HD2 PHE 136 HD2 PHE 136 3.990 13.467 2.192 1050 HE1 PHE 136 HE1 PHE 136 2.987 14.856 -2.462 1051 HE2 PHE 136 HE2 PHE 136 1.654 13.414 1.358 1052 HZ PHE 136 HZ PHE 136 1.155 14.111 -0.969 1053 H THR 137 HN THR 137 6.918 15.215 3.581 1054 HA THR 137 HA THR 137 9.898 15.355 3.493 1055 HB THR 137 HB THR 137 8.289 16.557 5.751 1056 HG1 THR 137 HG1 THR 137 8.801 18.566 4.696 1057 1HG2 THR 137 1HG2 THR 137 10.456 17.791 6.076 1058 2HG2 THR 137 2HG2 THR 137 11.154 16.793 4.800 1059 3HG2 THR 137 3HG2 THR 137 10.588 16.046 6.294 1060 H LYS 138 HN LYS 138 10.841 13.671 4.606 1061 HA LYS 138 HA LYS 138 9.164 11.612 5.751 1062 1HB LYS 138 2HB LYS 138 11.397 11.264 4.596 1063 2HB LYS 138 1HB LYS 138 12.164 11.930 6.036 1064 1HG LYS 138 2HG LYS 138 10.178 9.783 6.520 1065 2HG LYS 138 1HG LYS 138 11.659 9.284 5.705 1066 1HD LYS 138 2HD LYS 138 11.626 10.919 8.255 1067 2HD LYS 138 1HD LYS 138 11.769 9.163 8.225 1068 1HE LYS 138 2HE LYS 138 13.679 11.147 6.956 1069 2HE LYS 138 1HE LYS 138 13.999 10.132 8.360 1070 1HZ LYS 138 1HE LYS 138 14.059 9.466 5.560 1071 2HZ LYS 138 2HE LYS 138 13.205 8.341 6.503 1072 3HZ LYS 138 3HE LYS 138 14.821 8.709 6.871 1073 H VAL 139 HN VAL 139 8.297 11.720 7.760 1074 HA VAL 139 HA VAL 139 9.569 13.501 9.773 1075 HB VAL 139 HB VAL 139 7.407 13.167 11.015 1076 1HG1 VAL 139 1HG1 VAL 139 7.975 14.864 8.986 1077 2HG1 VAL 139 2HG1 VAL 139 6.429 14.870 9.834 1078 3HG1 VAL 139 3HG1 VAL 139 6.585 14.029 8.292 1079 1HG2 VAL 139 1HG2 VAL 139 6.999 10.922 9.814 1080 2HG2 VAL 139 2HG2 VAL 139 6.425 11.890 8.457 1081 3HG2 VAL 139 3HG2 VAL 139 5.604 11.982 10.015 1082 H SER 140 HN SER 140 8.957 10.126 9.107 1083 HA SER 140 HA SER 140 10.443 9.449 11.591 1084 1HB SER 140 2HB SER 140 7.651 8.616 10.903 1085 2HB SER 140 1HB SER 140 8.693 7.460 11.727 1086 HG SER 140 HG SER 140 7.727 9.954 12.577 1087 H SER 141 HN SER 141 11.846 7.765 11.289 1088 HA SER 141 HA SER 141 11.454 5.902 9.036 1089 1HB SER 141 2HB SER 141 13.297 8.149 8.924 1090 2HB SER 141 1HB SER 141 14.150 6.616 8.769 1091 HG SER 141 HG SER 141 12.817 6.078 7.064 1092 H ARG 142 HN ARG 142 12.287 3.902 9.524 1093 HA ARG 142 HA ARG 142 14.209 3.707 11.802 1094 1HB ARG 142 2HB ARG 142 11.707 3.110 12.307 1095 2HB ARG 142 1HB ARG 142 12.045 1.654 11.369 1096 1HG ARG 142 2HG ARG 142 12.675 0.879 13.442 1097 2HG ARG 142 1HG ARG 142 14.205 1.613 12.957 1098 1HD ARG 142 2HD ARG 142 13.583 3.695 14.123 1099 2HD ARG 142 1HD ARG 142 12.050 2.969 14.605 1100 HE ARG 142 HE ARG 142 14.302 1.354 15.448 1101 1HH1 ARG 142 1HH2 ARG 142 12.415 4.180 16.152 1102 2HH1 ARG 142 2HH2 ARG 142 12.767 4.137 17.846 1103 1HH2 ARG 142 1HH1 ARG 142 14.754 1.307 17.651 1104 2HH2 ARG 142 2HH1 ARG 142 14.084 2.519 18.691 1105 H THR 143 HN THR 143 15.945 2.361 11.298 1106 HA THR 143 HA THR 143 15.747 0.879 8.716 1107 HB THR 143 HB THR 143 18.281 1.550 10.224 1108 HG1 THR 143 HG1 THR 143 18.229 3.486 9.393 1109 1HG2 THR 143 1HG2 THR 143 19.375 0.780 8.375 1110 2HG2 THR 143 2HG2 THR 143 18.144 1.388 7.269 1111 3HG2 THR 143 3HG2 THR 143 17.884 -0.129 8.131 1112 H VAL 144 HN VAL 144 15.795 -1.321 8.773 1113 HA VAL 144 HA VAL 144 16.732 -2.612 11.302 1114 HB VAL 144 HB VAL 144 14.261 -2.696 11.081 1115 1HG1 VAL 144 1HG1 VAL 144 13.217 -3.260 9.151 1116 2HG1 VAL 144 2HG1 VAL 144 14.303 -4.617 8.859 1117 3HG1 VAL 144 3HG1 VAL 144 14.781 -2.987 8.385 1118 1HG2 VAL 144 1HG2 VAL 144 15.912 -5.206 10.885 1119 2HG2 VAL 144 2HG2 VAL 144 14.155 -5.316 10.991 1120 3HG2 VAL 144 3HG2 VAL 144 15.069 -4.539 12.283 1121 H GLU 145 HN GLU 145 18.362 -4.028 10.981 1122 HA GLU 145 HA GLU 145 19.127 -4.756 8.233 1123 1HB GLU 145 2HB GLU 145 20.414 -4.728 10.899 1124 2HB GLU 145 1HB GLU 145 20.902 -6.060 9.851 1125 1HG GLU 145 HG2 GLU 145 20.996 -4.026 8.070 1126 2HG GLU 145 HG1 GLU 145 21.378 -3.145 9.549 1127 H ASP 146 HN ASP 146 19.614 -7.059 7.732 1128 HA ASP 146 HA ASP 146 18.054 -9.006 9.352 1129 1HB ASP 146 2HB ASP 146 17.027 -7.933 7.021 1130 2HB ASP 146 1HB ASP 146 17.790 -9.418 6.453 1131 H THR 147 HN THR 147 18.705 -11.244 8.917 1132 HA THR 147 HA THR 147 21.522 -11.587 8.634 1133 HB THR 147 HB THR 147 20.831 -14.053 8.212 1134 HG1 THR 147 HG1 THR 147 18.806 -14.161 7.676 1135 1HG2 THR 147 1HG2 THR 147 20.810 -12.396 10.551 1136 2HG2 THR 147 2HG2 THR 147 21.194 -14.113 10.427 1137 3HG2 THR 147 3HG2 THR 147 19.529 -13.599 10.702 1138 H ASN 148 HN ASN 148 18.902 -11.583 6.314 1139 HA ASN 148 HA ASN 148 20.689 -12.476 4.131 1140 1HB ASN 148 2HB ASN 148 17.856 -12.500 4.608 1141 2HB ASN 148 1HB ASN 148 18.172 -11.607 3.121 1142 1HD2 ASN 148 1HD2 ASN 148 20.042 -12.827 1.740 1143 2HD2 ASN 148 2HD2 ASN 148 19.786 -14.495 1.558 1144 HA PRO 149 HA PRO 149 22.088 -8.288 3.358 1145 1HB PRO 149 2HB PRO 149 22.608 -9.080 0.620 1146 2HB PRO 149 1HB PRO 149 23.766 -8.719 1.906 1147 1HG PRO 149 2HG PRO 149 23.004 -11.279 0.855 1148 2HG PRO 149 1HG PRO 149 24.222 -10.908 2.083 1149 1HD PRO 149 2HD PRO 149 21.773 -12.209 2.516 1150 2HD PRO 149 1HD PRO 149 22.848 -11.554 3.760 1151 H ALA 150 HN ALA 150 20.071 -10.019 0.974 1152 HA ALA 150 HA ALA 150 19.088 -7.528 -0.189 1153 1HB ALA 150 1HB ALA 150 17.493 -9.108 -1.384 1154 2HB ALA 150 2HB ALA 150 18.293 -10.428 -0.532 1155 3HB ALA 150 3HB ALA 150 19.207 -9.419 -1.654 1156 H LEU 151 HN LEU 151 17.859 -9.905 2.164 1157 HA LEU 151 HA LEU 151 15.207 -8.805 2.274 1158 1HB LEU 151 2HB LEU 151 16.762 -10.446 4.291 1159 2HB LEU 151 1HB LEU 151 15.044 -10.078 4.424 1160 HG LEU 151 HG LEU 151 16.320 -11.520 2.079 1161 1HD1 LEU 151 1HD1 LEU 151 14.571 -13.262 3.331 1162 2HD1 LEU 151 2HD1 LEU 151 15.341 -12.443 4.690 1163 3HD1 LEU 151 3HD1 LEU 151 16.326 -13.289 3.497 1164 1HD2 LEU 151 1HD2 LEU 151 13.991 -10.108 2.079 1165 2HD2 LEU 151 2HD2 LEU 151 13.409 -11.673 2.639 1166 3HD2 LEU 151 3HD2 LEU 151 14.252 -11.547 1.096 1167 H THR 152 HN THR 152 18.087 -7.378 3.226 1168 HA THR 152 HA THR 152 17.213 -6.142 5.707 1169 HB THR 152 HB THR 152 19.320 -5.225 3.717 1170 HG1 THR 152 HG1 THR 152 19.894 -7.204 4.477 1171 1HG2 THR 152 1HG2 THR 152 20.182 -4.303 6.072 1172 2HG2 THR 152 2HG2 THR 152 18.453 -4.303 6.418 1173 3HG2 THR 152 3HG2 THR 152 19.080 -3.369 5.060 1174 H HIS 153 HN HIS 153 16.342 -3.958 5.924 1175 HA HIS 153 HA HIS 153 15.822 -2.381 3.533 1176 1HB HIS 153 2HB HIS 153 13.312 -2.549 3.705 1177 2HB HIS 153 1HB HIS 153 14.106 -4.010 3.122 1178 HD1 HIS 153 HD1 HIS 153 14.732 -5.756 5.241 1179 HD2 HIS 153 HD2 HIS 153 11.565 -3.095 5.761 1180 HE1 HIS 153 HE1 HIS 153 13.327 -6.676 7.136 1181 H THR 154 HN THR 154 14.349 -0.496 4.042 1182 HA THR 154 HA THR 154 14.474 0.252 6.932 1183 HB THR 154 HB THR 154 14.980 2.231 4.710 1184 HG1 THR 154 HG1 THR 154 16.821 0.532 6.028 1185 1HG2 THR 154 1HG2 THR 154 14.988 3.607 6.488 1186 2HG2 THR 154 2HG2 THR 154 16.469 2.806 7.013 1187 3HG2 THR 154 3HG2 THR 154 14.907 2.249 7.607 1188 H TYR 155 HN TYR 155 12.777 1.737 7.579 1189 HA TYR 155 HA TYR 155 10.479 1.780 5.665 1190 1HB TYR 155 2HB TYR 155 10.436 2.166 8.674 1191 2HB TYR 155 1HB TYR 155 9.038 1.993 7.615 1192 HD1 TYR 155 HD1 TYR 155 8.658 -0.187 6.405 1193 HD2 TYR 155 HD2 TYR 155 11.630 0.268 9.473 1194 HE1 TYR 155 HE1 TYR 155 8.761 -2.651 6.671 1195 HE2 TYR 155 HE2 TYR 155 11.734 -2.194 9.738 1196 HH TYR 155 HH TYR 155 10.022 -4.167 9.260 1197 H GLU 156 HN GLU 156 9.987 3.765 4.799 1198 HA GLU 156 HA GLU 156 10.916 6.177 6.303 1199 1HB GLU 156 2HB GLU 156 10.544 5.799 3.315 1200 2HB GLU 156 1HB GLU 156 11.022 7.306 4.096 1201 1HG GLU 156 HG2 GLU 156 12.993 6.077 5.081 1202 2HG GLU 156 HG1 GLU 156 12.559 4.696 4.072 1203 H VAL 157 HN VAL 157 9.293 7.427 7.060 1204 HA VAL 157 HA VAL 157 6.594 7.163 5.791 1205 HB VAL 157 HB VAL 157 7.278 8.074 8.605 1206 1HG1 VAL 157 1HG1 VAL 157 5.031 8.391 8.943 1207 2HG1 VAL 157 2HG1 VAL 157 4.575 7.108 7.823 1208 3HG1 VAL 157 3HG1 VAL 157 5.050 8.690 7.205 1209 1HG2 VAL 157 1HG2 VAL 157 7.693 5.822 8.812 1210 2HG2 VAL 157 2HG2 VAL 157 6.727 5.408 7.396 1211 3HG2 VAL 157 3HG2 VAL 157 5.935 5.758 8.932 1212 H TRP 158 HN TRP 158 5.857 8.972 4.749 1213 HA TRP 158 HA TRP 158 7.212 11.561 5.393 1214 1HB TRP 158 2HB TRP 158 5.927 10.719 2.780 1215 2HB TRP 158 1HB TRP 158 6.778 12.232 3.081 1216 HD1 TRP 158 HD1 TRP 158 7.537 8.441 3.354 1217 HE1 TRP 158 HE1 TRP 158 9.980 8.066 2.622 1218 HE3 TRP 158 HE3 TRP 158 8.935 13.267 2.445 1219 HZ2 TRP 158 HZ2 TRP 158 12.232 9.610 1.766 1220 HZ3 TRP 158 HZ3 TRP 158 11.232 13.787 1.673 1221 HH2 TRP 158 HH2 TRP 158 12.881 11.966 1.332 1222 H GLN 159 HN GLN 159 5.848 13.493 5.035 1223 HA GLN 159 HA GLN 159 2.921 13.023 5.254 1224 1HB GLN 159 2HB GLN 159 4.628 14.619 7.188 1225 2HB GLN 159 1HB GLN 159 2.879 14.811 7.070 1226 1HG GLN 159 2HG GLN 159 2.701 12.297 7.440 1227 2HG GLN 159 1HG GLN 159 4.415 12.327 7.858 1228 1HE2 GLN 159 1HE2 GLN 159 1.196 13.384 8.909 1229 2HE2 GLN 159 2HE2 GLN 159 1.667 13.840 10.475 1230 H LYS 160 HN LYS 160 1.710 14.782 4.296 1231 HA LYS 160 HA LYS 160 3.265 16.434 2.472 1232 1HB LYS 160 2HB LYS 160 0.916 15.407 2.093 1233 2HB LYS 160 1HB LYS 160 0.324 16.764 3.053 1234 1HG LYS 160 2HG LYS 160 1.941 18.106 1.365 1235 2HG LYS 160 1HG LYS 160 1.508 16.748 0.324 1236 1HD LYS 160 2HD LYS 160 -0.709 17.351 0.223 1237 2HD LYS 160 1HD LYS 160 -0.703 18.044 1.845 1238 1HE LYS 160 2HE LYS 160 1.089 19.580 0.234 1239 2HE LYS 160 1HE LYS 160 -0.424 19.404 -0.654 1240 1HZ LYS 160 1HE LYS 160 -0.504 20.077 2.204 1241 2HZ LYS 160 2HE LYS 160 -1.617 20.452 0.976 1242 3HZ LYS 160 3HE LYS 160 -0.145 21.295 1.080 1243 H LYS 161 HN LYS 161 4.000 18.456 2.887 1244 HA LYS 161 HA LYS 161 3.584 19.690 5.470 1245 1HB LYS 161 2HB LYS 161 4.805 20.777 2.914 1246 2HB LYS 161 1HB LYS 161 4.873 21.585 4.480 1247 1HG LYS 161 2HG LYS 161 5.766 18.739 4.356 1248 2HG LYS 161 1HG LYS 161 6.832 19.961 3.663 1249 1HD LYS 161 2HD LYS 161 5.645 20.284 6.420 1250 2HD LYS 161 1HD LYS 161 7.154 19.408 6.162 1251 1HE LYS 161 2HE LYS 161 8.326 21.311 5.786 1252 2HE LYS 161 1HE LYS 161 7.056 21.994 4.770 1253 1HZ LYS 161 1HE LYS 161 7.333 23.287 6.777 1254 2HZ LYS 161 2HE LYS 161 7.061 21.913 7.739 1255 3HZ LYS 161 3HE LYS 161 5.810 22.540 6.775 1256 H ALA 162 HN ALA 162 2.471 21.682 5.893 1257 HA ALA 162 HA ALA 162 0.740 22.807 3.792 1258 1HB ALA 162 1HB ALA 162 -0.813 21.176 4.441 1259 2HB ALA 162 2HB ALA 162 -1.253 22.540 5.468 1260 3HB ALA 162 3HB ALA 162 -0.294 21.214 6.126 1261 AH51 NDP 168 AH51 NDP 168 -6.060 -2.080 -8.402 1262 AH52 NDP 168 AH52 NDP 168 -5.790 -0.814 -9.608 1263 AH4* NDP 168 AH4* NDP 168 -7.597 -3.225 -10.059 1264 AH3* NDP 168 AH3* NDP 168 -7.076 -0.742 -11.707 1265 AHO3 NDP 168 AHO3 NDP 168 -6.141 -2.765 -12.339 1266 AH2* NDP 168 AH2* NDP 168 -9.371 -0.827 -12.380 1267 AH1* NDP 168 AH1* NDP 168 -10.395 -1.335 -9.864 1268 AH8 NDP 168 AH8 NDP 168 -7.380 1.016 -10.453 1269 AH61 NDP 168 AH61 NDP 168 -9.862 5.171 -9.897 1270 AH62 NDP 168 AH62 NDP 168 -11.565 5.535 -9.748 1271 AH2 NDP 168 AH2 NDP 168 -13.707 1.603 -9.437 1272 NH51 NDP 168 NH51 NDP 168 -1.756 -5.019 -9.551 1273 NH52 NDP 168 NH52 NDP 168 -1.490 -4.025 -8.113 1274 NH4* NDP 168 NH4* NDP 168 0.534 -5.914 -9.408 1275 NH3* NDP 168 NH3* NDP 168 -1.050 -6.183 -6.839 1276 NHO3 NDP 168 NHO3 NDP 168 -1.079 -7.376 -9.215 1277 NH2* NDP 168 NH2* NDP 168 0.835 -7.380 -5.961 1278 NHO2 NDP 168 NHO2 NDP 168 2.555 -7.403 -8.020 1279 NH1* NDP 168 NH1* NDP 168 2.755 -5.669 -7.034 1280 NH2 NDP 168 NH2 NDP 168 3.538 -4.387 -5.184 1281 NH71 NDP 168 NH71 NDP 168 5.029 -3.901 -4.545 1282 NH72 NDP 168 NH72 NDP 168 5.697 -3.216 -3.082 1283 NH41 NDP 168 NH41 NDP 168 0.743 -2.785 -2.849 1284 NH42 NDP 168 NH42 NDP 168 1.056 -4.373 -2.070 1285 NH5 NDP 168 NH5 NDP 168 -1.085 -4.393 -3.336 1286 NH6 NDP 168 NH6 NDP 168 -0.671 -5.487 -5.591 1287 H1 TRR 170 H1 TRR 170 4.824 -5.164 1.974 1288 1H2 TRR 170 1H2 TRR 170 4.957 -1.807 3.154 1289 2H2 TRR 170 2H2 TRR 170 5.836 -3.262 3.005 1290 1H4 TRR 170 1H4 TRR 170 0.480 -1.533 1.518 1291 2H4 TRR 170 2H4 TRR 170 -0.247 -2.879 0.784 1292 H6 TRR 170 H6 TRR 170 2.986 -6.295 0.885 1293 1H7 TRR 170 1H7 TRR 170 0.408 -4.688 -0.642 1294 2H7 TRR 170 2H7 TRR 170 -0.326 -4.979 0.934 1295 H12 TRR 170 H12 TRR 170 1.397 -6.469 -1.905 1296 H16 TRR 170 H16 TRR 170 0.022 -7.123 2.136 1297 1H17 TRR 170 1H17 TRR 170 2.926 -7.603 -3.302 1298 2H17 TRR 170 2H17 TRR 170 1.225 -7.497 -3.733 1299 3H17 TRR 170 3H17 TRR 170 2.239 -8.740 -4.455 1300 1H18 TRR 170 1H18 TRR 170 -0.392 -10.779 -1.857 1301 2H18 TRR 170 2H18 TRR 170 0.131 -12.370 -1.323 1302 3H18 TRR 170 3H18 TRR 170 1.167 -11.410 -2.369 1303 1H19 TRR 170 1H19 TRR 170 -0.710 -10.062 3.872 1304 2H19 TRR 170 2H19 TRR 170 -1.005 -8.503 3.118 1305 3H19 TRR 170 3H19 TRR 170 0.564 -8.851 3.829 Start of MODEL 20 1 1H THR 1 1H THR 1 -5.219 9.971 4.186 2 2H THR 1 2H THR 1 -6.777 9.882 3.515 3 3H THR 1 3H THR 1 -5.642 10.980 2.890 4 HA THR 1 HA THR 1 -5.811 8.073 2.538 5 HB THR 1 HB THR 1 -4.886 10.221 0.631 6 HG1 THR 1 HG1 THR 1 -6.958 10.747 1.379 7 1HG2 THR 1 1HG2 THR 1 -5.239 8.612 -1.031 8 2HG2 THR 1 2HG2 THR 1 -6.343 7.674 -0.026 9 3HG2 THR 1 3HG2 THR 1 -4.609 7.640 0.299 10 H ALA 2 HN ALA 2 -4.048 6.854 2.904 11 HA ALA 2 HA ALA 2 -1.378 8.204 2.813 12 1HB ALA 2 1HB ALA 2 -2.277 5.920 4.596 13 2HB ALA 2 2HB ALA 2 -1.987 7.581 5.114 14 3HB ALA 2 3HB ALA 2 -0.646 6.588 4.542 15 H PHE 3 HN PHE 3 0.349 6.937 1.961 16 HA PHE 3 HA PHE 3 -0.563 4.676 0.227 17 1HB PHE 3 2HB PHE 3 1.595 6.745 -0.006 18 2HB PHE 3 1HB PHE 3 1.843 5.181 -0.773 19 HD1 PHE 3 HD1 PHE 3 -1.615 6.322 -0.477 20 HD2 PHE 3 HD2 PHE 3 1.890 6.405 -2.946 21 HE1 PHE 3 HE1 PHE 3 -2.984 7.058 -2.409 22 HE2 PHE 3 HE2 PHE 3 0.520 7.134 -4.874 23 HZ PHE 3 HZ PHE 3 -1.920 7.461 -4.602 24 H LEU 4 HN LEU 4 0.270 2.621 0.674 25 HA LEU 4 HA LEU 4 2.673 2.530 2.440 26 1HB LEU 4 2HB LEU 4 0.865 2.071 3.943 27 2HB LEU 4 1HB LEU 4 0.068 1.025 2.773 28 HG LEU 4 HG LEU 4 1.763 -0.673 3.016 29 1HD1 LEU 4 1HD1 LEU 4 3.400 1.526 3.847 30 2HD1 LEU 4 2HD1 LEU 4 3.890 -0.132 3.521 31 3HD1 LEU 4 3HD1 LEU 4 3.386 0.336 5.144 32 1HD2 LEU 4 1HD2 LEU 4 0.097 -0.772 4.749 33 2HD2 LEU 4 2HD2 LEU 4 0.885 0.515 5.661 34 3HD2 LEU 4 3HD2 LEU 4 1.655 -1.066 5.523 35 H TRP 5 HN TRP 5 4.134 1.792 0.927 36 HA TRP 5 HA TRP 5 3.530 -0.858 -0.265 37 1HB TRP 5 2HB TRP 5 4.167 -0.226 -2.466 38 2HB TRP 5 1HB TRP 5 3.040 1.012 -1.924 39 HD1 TRP 5 HD1 TRP 5 6.578 0.486 -3.059 40 HE1 TRP 5 HE1 TRP 5 7.809 2.750 -3.145 41 HE3 TRP 5 HE3 TRP 5 3.174 3.434 -0.643 42 HZ2 TRP 5 HZ2 TRP 5 7.403 5.451 -2.299 43 HZ3 TRP 5 HZ3 TRP 5 3.625 5.847 -0.297 44 HH2 TRP 5 HH2 TRP 5 5.732 6.858 -1.122 45 H ALA 6 HN ALA 6 5.649 -1.659 -1.399 46 HA ALA 6 HA ALA 6 8.015 -0.864 0.238 47 1HB ALA 6 1HB ALA 6 6.666 -3.476 0.067 48 2HB ALA 6 2HB ALA 6 7.804 -2.879 1.275 49 3HB ALA 6 3HB ALA 6 8.401 -3.557 -0.239 50 H GLN 7 HN GLN 7 9.931 -0.772 -0.963 51 HA GLN 7 HA GLN 7 9.880 -1.887 -3.703 52 1HB GLN 7 2HB GLN 7 10.720 0.297 -4.619 53 2HB GLN 7 1HB GLN 7 9.050 0.349 -4.063 54 1HG GLN 7 2HG GLN 7 9.757 2.203 -2.934 55 2HG GLN 7 1HG GLN 7 10.346 1.020 -1.767 56 1HE2 GLN 7 1HE2 GLN 7 11.374 3.030 -4.543 57 2HE2 GLN 7 2HE2 GLN 7 13.027 2.994 -4.161 58 H ASP 8 HN ASP 8 11.976 -2.068 -4.669 59 HA ASP 8 HA ASP 8 14.091 -2.426 -2.653 60 1HB ASP 8 2HB ASP 8 15.339 -3.476 -4.530 61 2HB ASP 8 1HB ASP 8 13.742 -4.186 -4.314 62 H ARG 9 HN ARG 9 16.363 -1.915 -4.245 63 HA ARG 9 HA ARG 9 16.736 0.865 -3.794 64 1HB ARG 9 2HB ARG 9 18.789 0.572 -5.257 65 2HB ARG 9 1HB ARG 9 18.678 -0.521 -3.881 66 1HG ARG 9 2HG ARG 9 18.925 -2.231 -5.327 67 2HG ARG 9 1HG ARG 9 17.325 -1.847 -5.954 68 1HD ARG 9 2HD ARG 9 18.249 -1.254 -7.915 69 2HD ARG 9 1HD ARG 9 19.149 0.021 -7.098 70 HE ARG 9 HE ARG 9 20.205 -2.585 -7.915 71 1HH1 ARG 9 1HH1 ARG 9 20.540 0.161 -5.812 72 2HH1 ARG 9 2HH1 ARG 9 22.229 -0.098 -5.555 73 1HH2 ARG 9 1HH2 ARG 9 22.400 -2.906 -7.568 74 2HH2 ARG 9 2HH2 ARG 9 23.277 -1.822 -6.542 75 H ASP 10 HN ASP 10 16.016 -0.870 -6.859 76 HA ASP 10 HA ASP 10 16.071 1.531 -8.453 77 1HB ASP 10 2HB ASP 10 15.445 -1.308 -8.834 78 2HB ASP 10 1HB ASP 10 14.431 -0.243 -9.808 79 H GLY 11 HN GLY 11 13.539 -0.135 -6.647 80 1HA GLY 11 2HA GLY 11 11.692 1.295 -5.788 81 2HA GLY 11 1HA GLY 11 11.722 2.143 -7.330 82 H LEU 12 HN LEU 12 11.788 -1.371 -6.753 83 HA LEU 12 HA LEU 12 9.527 -1.678 -8.637 84 1HB LEU 12 2HB LEU 12 11.505 -3.173 -8.803 85 2HB LEU 12 1HB LEU 12 11.188 -3.753 -7.170 86 HG LEU 12 HG LEU 12 8.930 -4.516 -7.932 87 1HD1 LEU 12 1HD1 LEU 12 9.531 -4.606 -10.749 88 2HD1 LEU 12 2HD1 LEU 12 9.594 -2.935 -10.189 89 3HD1 LEU 12 3HD1 LEU 12 8.138 -3.896 -9.939 90 1HD2 LEU 12 1HD2 LEU 12 9.836 -6.416 -9.346 91 2HD2 LEU 12 2HD2 LEU 12 10.689 -6.155 -7.824 92 3HD2 LEU 12 3HD2 LEU 12 11.391 -5.582 -9.337 93 H ILE 13 HN ILE 13 7.613 -2.982 -7.984 94 HA ILE 13 HA ILE 13 7.167 -2.903 -5.029 95 HB ILE 13 HB ILE 13 4.654 -2.693 -5.729 96 1HG1 ILE 13 2HG1 ILE 13 5.308 -0.922 -7.907 97 2HG1 ILE 13 1HG1 ILE 13 5.894 -2.539 -8.276 98 1HG2 ILE 13 1HG2 ILE 13 5.637 -0.059 -6.212 99 2HG2 ILE 13 2HG2 ILE 13 6.722 -0.843 -5.063 100 3HG2 ILE 13 3HG2 ILE 13 4.999 -0.731 -4.711 101 1HD1 ILE 13 1HD1 ILE 13 3.777 -3.046 -8.874 102 2HD1 ILE 13 2HD1 ILE 13 3.151 -1.559 -8.160 103 3HD1 ILE 13 3HD1 ILE 13 3.382 -2.989 -7.156 104 H GLY 14 HN GLY 14 5.456 -4.351 -7.864 105 1HA GLY 14 2HA GLY 14 5.956 -7.020 -6.650 106 2HA GLY 14 1HA GLY 14 4.276 -6.526 -6.866 107 H LYS 15 HN LYS 15 6.142 -8.627 -8.217 108 HA LYS 15 HA LYS 15 5.639 -7.731 -11.025 109 1HB LYS 15 2HB LYS 15 8.028 -8.219 -10.351 110 2HB LYS 15 1HB LYS 15 7.544 -9.897 -10.100 111 1HG LYS 15 2HG LYS 15 6.510 -9.445 -12.581 112 2HG LYS 15 1HG LYS 15 7.933 -8.406 -12.626 113 1HD LYS 15 2HD LYS 15 9.122 -10.531 -11.586 114 2HD LYS 15 1HD LYS 15 7.769 -11.383 -12.330 115 1HE LYS 15 2HE LYS 15 9.058 -11.366 -14.202 116 2HE LYS 15 1HE LYS 15 8.525 -9.693 -14.354 117 1HZ LYS 15 1HE LYS 15 10.677 -9.803 -12.549 118 2HZ LYS 15 2HE LYS 15 10.597 -9.025 -14.056 119 3HZ LYS 15 3HE LYS 15 11.117 -10.638 -13.958 120 H ASP 16 HN ASP 16 3.980 -8.757 -12.016 121 HA ASP 16 HA ASP 16 2.341 -10.341 -12.472 122 1HB ASP 16 2HB ASP 16 4.690 -12.111 -11.765 123 2HB ASP 16 1HB ASP 16 3.195 -12.708 -12.486 124 H GLY 17 HN GLY 17 1.634 -9.355 -10.059 125 1HA GLY 17 2HA GLY 17 0.224 -9.987 -8.317 126 2HA GLY 17 1HA GLY 17 0.451 -11.664 -8.790 127 H HIS 18 HN HIS 18 2.460 -12.725 -8.036 128 HA HIS 18 HA HIS 18 2.863 -12.246 -5.241 129 1HB HIS 18 2HB HIS 18 4.641 -14.009 -5.465 130 2HB HIS 18 1HB HIS 18 3.067 -14.484 -6.101 131 HD1 HIS 18 HD1 HIS 18 6.487 -13.342 -7.242 132 HD2 HIS 18 HD2 HIS 18 3.012 -14.971 -8.869 133 HE1 HIS 18 HE1 HIS 18 7.038 -13.960 -9.636 134 H LEU 19 HN LEU 19 4.412 -11.185 -4.143 135 HA LEU 19 HA LEU 19 6.004 -9.164 -5.346 136 1HB LEU 19 2HB LEU 19 5.915 -10.488 -2.665 137 2HB LEU 19 1HB LEU 19 7.336 -9.520 -3.055 138 HG LEU 19 HG LEU 19 4.675 -8.331 -3.674 139 1HD1 LEU 19 1HD1 LEU 19 4.721 -9.466 -1.293 140 2HD1 LEU 19 2HD1 LEU 19 4.102 -7.824 -1.471 141 3HD1 LEU 19 3HD1 LEU 19 5.742 -8.089 -0.877 142 1HD2 LEU 19 1HD2 LEU 19 6.900 -7.238 -4.124 143 2HD2 LEU 19 2HD2 LEU 19 7.180 -7.207 -2.383 144 3HD2 LEU 19 3HD2 LEU 19 5.844 -6.289 -3.078 145 HA PRO 20 HA PRO 20 9.577 -11.415 -6.729 146 1HB PRO 20 2HB PRO 20 11.384 -9.266 -6.513 147 2HB PRO 20 1HB PRO 20 10.373 -9.655 -7.913 148 1HG PRO 20 2HG PRO 20 10.167 -7.392 -6.227 149 2HG PRO 20 1HG PRO 20 9.061 -7.868 -7.522 150 1HD PRO 20 2HD PRO 20 8.767 -8.184 -4.597 151 2HD PRO 20 1HD PRO 20 7.522 -8.140 -5.864 152 H TRP 21 HN TRP 21 9.871 -9.568 -3.717 153 HA TRP 21 HA TRP 21 12.112 -11.378 -2.914 154 1HB TRP 21 2HB TRP 21 12.655 -9.581 -1.250 155 2HB TRP 21 1HB TRP 21 12.782 -9.044 -2.925 156 HD1 TRP 21 HD1 TRP 21 10.380 -8.871 0.074 157 HE1 TRP 21 HE1 TRP 21 8.869 -6.802 -0.210 158 HE3 TRP 21 HE3 TRP 21 11.885 -7.310 -4.552 159 HZ2 TRP 21 HZ2 TRP 21 8.366 -4.754 -2.143 160 HZ3 TRP 21 HZ3 TRP 21 10.873 -5.298 -5.589 161 HH2 TRP 21 HH2 TRP 21 9.117 -4.020 -4.391 162 H HIS 22 HN HIS 22 11.869 -12.610 -1.087 163 HA HIS 22 HA HIS 22 9.196 -12.650 0.171 164 1HB HIS 22 2HB HIS 22 10.538 -14.735 -0.550 165 2HB HIS 22 1HB HIS 22 11.528 -14.435 0.879 166 HD1 HIS 22 HD1 HIS 22 7.806 -14.738 0.060 167 HD2 HIS 22 HD2 HIS 22 10.479 -15.625 3.133 168 HE1 HIS 22 HE1 HIS 22 6.466 -15.917 1.857 169 H LEU 23 HN LEU 23 9.131 -10.855 1.556 170 HA LEU 23 HA LEU 23 11.216 -10.795 3.702 171 1HB LEU 23 2HB LEU 23 10.877 -8.789 1.998 172 2HB LEU 23 1HB LEU 23 9.531 -8.397 3.065 173 HG LEU 23 HG LEU 23 11.061 -8.368 5.000 174 1HD1 LEU 23 1HD1 LEU 23 12.791 -9.714 3.129 175 2HD1 LEU 23 2HD1 LEU 23 13.014 -9.479 4.862 176 3HD1 LEU 23 3HD1 LEU 23 13.593 -8.262 3.725 177 1HD2 LEU 23 1HD2 LEU 23 12.554 -6.659 3.088 178 2HD2 LEU 23 2HD2 LEU 23 11.730 -6.215 4.583 179 3HD2 LEU 23 3HD2 LEU 23 10.806 -6.432 3.096 180 HA PRO 24 HA PRO 24 7.463 -12.064 5.967 181 1HB PRO 24 2HB PRO 24 9.118 -12.753 8.182 182 2HB PRO 24 1HB PRO 24 8.343 -13.849 7.032 183 1HG PRO 24 2HG PRO 24 11.116 -13.253 7.289 184 2HG PRO 24 1HG PRO 24 10.333 -14.320 6.116 185 1HD PRO 24 2HD PRO 24 11.466 -11.695 5.688 186 2HD PRO 24 1HD PRO 24 10.818 -12.829 4.495 187 H ASP 25 HN ASP 25 10.205 -10.169 7.196 188 HA ASP 25 HA ASP 25 8.754 -9.008 9.412 189 1HB ASP 25 2HB ASP 25 11.361 -9.085 8.813 190 2HB ASP 25 1HB ASP 25 10.987 -7.513 8.105 191 H ASP 26 HN ASP 26 8.895 -8.376 6.007 192 HA ASP 26 HA ASP 26 7.952 -5.630 6.146 193 1HB ASP 26 2HB ASP 26 9.211 -6.456 4.203 194 2HB ASP 26 1HB ASP 26 7.943 -7.632 3.868 195 H LEU 27 HN LEU 27 6.402 -8.781 5.404 196 HA LEU 27 HA LEU 27 3.788 -7.858 4.920 197 1HB LEU 27 2HB LEU 27 4.673 -10.382 6.355 198 2HB LEU 27 1HB LEU 27 3.041 -10.094 5.751 199 HG LEU 27 HG LEU 27 5.397 -9.807 3.904 200 1HD1 LEU 27 1HD1 LEU 27 4.174 -12.325 4.977 201 2HD1 LEU 27 2HD1 LEU 27 5.853 -11.990 4.557 202 3HD1 LEU 27 3HD1 LEU 27 4.666 -12.277 3.285 203 1HD2 LEU 27 1HD2 LEU 27 2.470 -10.545 3.586 204 2HD2 LEU 27 2HD2 LEU 27 3.636 -10.532 2.263 205 3HD2 LEU 27 3HD2 LEU 27 3.234 -9.032 3.099 206 H HIS 28 HN HIS 28 5.272 -8.741 8.056 207 HA HIS 28 HA HIS 28 3.029 -8.155 9.697 208 1HB HIS 28 2HB HIS 28 5.994 -7.860 10.280 209 2HB HIS 28 1HB HIS 28 4.726 -7.784 11.504 210 HD1 HIS 28 HD1 HIS 28 2.911 -10.060 10.770 211 HD2 HIS 28 HD2 HIS 28 7.061 -10.396 10.555 212 HE1 HIS 28 HE1 HIS 28 3.436 -12.535 10.879 213 H TYR 29 HN TYR 29 5.530 -6.077 8.319 214 HA TYR 29 HA TYR 29 4.842 -3.676 9.729 215 1HB TYR 29 2HB TYR 29 6.933 -4.021 8.370 216 2HB TYR 29 1HB TYR 29 5.947 -3.915 6.912 217 HD1 TYR 29 HD1 TYR 29 6.533 -2.035 10.110 218 HD2 TYR 29 HD2 TYR 29 5.704 -1.834 5.900 219 HE1 TYR 29 HE1 TYR 29 6.659 0.440 10.204 220 HE2 TYR 29 HE2 TYR 29 5.829 0.641 5.993 221 HH TYR 29 HH TYR 29 6.558 2.401 7.285 222 H PHE 30 HN PHE 30 3.637 -5.179 6.773 223 HA PHE 30 HA PHE 30 1.950 -3.000 5.941 224 1HB PHE 30 2HB PHE 30 2.596 -4.818 4.411 225 2HB PHE 30 1HB PHE 30 1.703 -5.975 5.397 226 HD1 PHE 30 HD1 PHE 30 1.006 -2.553 4.009 227 HD2 PHE 30 HD2 PHE 30 -0.319 -6.613 4.444 228 HE1 PHE 30 HE1 PHE 30 -1.069 -2.008 2.766 229 HE2 PHE 30 HE2 PHE 30 -2.393 -6.070 3.197 230 HZ PHE 30 HZ PHE 30 -2.765 -3.766 2.358 231 H ARG 31 HN ARG 31 1.255 -5.985 7.789 232 HA ARG 31 HA ARG 31 -1.520 -5.426 8.188 233 1HB ARG 31 2HB ARG 31 0.110 -7.543 8.740 234 2HB ARG 31 1HB ARG 31 -0.109 -6.868 10.355 235 1HG ARG 31 2HG ARG 31 -2.492 -7.050 10.206 236 2HG ARG 31 1HG ARG 31 -2.422 -7.409 8.480 237 1HD ARG 31 2HD ARG 31 -2.730 -9.528 9.464 238 2HD ARG 31 1HD ARG 31 -0.990 -9.457 9.184 239 HE ARG 31 HE ARG 31 -1.324 -8.445 11.755 240 1HH1 ARG 31 1HH2 ARG 31 -2.174 -11.350 10.058 241 2HH1 ARG 31 2HH2 ARG 31 -2.088 -12.342 11.473 242 1HH2 ARG 31 1HH1 ARG 31 -1.214 -9.742 13.588 243 2HH2 ARG 31 2HH1 ARG 31 -1.547 -11.438 13.463 244 H ALA 32 HN ALA 32 1.101 -5.188 10.607 245 HA ALA 32 HA ALA 32 -0.256 -3.813 12.604 246 1HB ALA 32 1HB ALA 32 1.829 -3.255 13.501 247 2HB ALA 32 2HB ALA 32 2.553 -3.002 11.913 248 3HB ALA 32 3HB ALA 32 2.218 -4.638 12.478 249 H GLN 33 HN GLN 33 1.189 -2.401 9.668 250 HA GLN 33 HA GLN 33 0.723 0.333 10.477 251 1HB GLN 33 2HB GLN 33 1.541 -1.071 7.980 252 2HB GLN 33 1HB GLN 33 0.887 0.557 7.814 253 1HG GLN 33 2HG GLN 33 2.915 0.113 9.956 254 2HG GLN 33 1HG GLN 33 3.487 0.133 8.286 255 1HE2 GLN 33 1HE2 GLN 33 1.919 2.100 10.793 256 2HE2 GLN 33 2HE2 GLN 33 2.116 3.584 9.993 257 H THR 34 HN THR 34 -1.336 -2.110 9.139 258 HA THR 34 HA THR 34 -3.370 0.007 8.543 259 HB THR 34 HB THR 34 -4.428 -1.742 7.051 260 HG1 THR 34 HG1 THR 34 -2.613 -3.263 8.200 261 1HG2 THR 34 1HG2 THR 34 -3.355 -0.270 5.690 262 2HG2 THR 34 2HG2 THR 34 -2.219 -1.600 5.465 263 3HG2 THR 34 3HG2 THR 34 -1.867 -0.327 6.635 264 H VAL 35 HN VAL 35 -2.820 -1.293 11.154 265 HA VAL 35 HA VAL 35 -5.048 -3.144 11.584 266 HB VAL 35 HB VAL 35 -4.396 -3.001 13.977 267 1HG1 VAL 35 1HG1 VAL 35 -2.065 -3.334 12.070 268 2HG1 VAL 35 2HG1 VAL 35 -3.251 -4.578 12.463 269 3HG1 VAL 35 3HG1 VAL 35 -2.153 -3.980 13.708 270 1HG2 VAL 35 1HG2 VAL 35 -2.564 -0.851 12.895 271 2HG2 VAL 35 2HG2 VAL 35 -2.209 -1.701 14.397 272 3HG2 VAL 35 3HG2 VAL 35 -3.685 -0.749 14.250 273 H GLY 36 HN GLY 36 -7.102 -2.400 11.690 274 1HA GLY 36 2HA GLY 36 -8.922 -1.126 12.474 275 2HA GLY 36 1HA GLY 36 -7.795 -0.199 13.461 276 H LYS 37 HN LYS 37 -6.861 -0.366 10.166 277 HA LYS 37 HA LYS 37 -7.982 2.379 9.744 278 1HB LYS 37 2HB LYS 37 -5.346 1.138 8.968 279 2HB LYS 37 1HB LYS 37 -5.973 2.546 8.113 280 1HG LYS 37 2HG LYS 37 -5.657 3.944 9.898 281 2HG LYS 37 1HG LYS 37 -6.035 2.688 11.078 282 1HD LYS 37 2HD LYS 37 -3.789 1.616 10.334 283 2HD LYS 37 1HD LYS 37 -3.431 3.203 9.652 284 1HE LYS 37 2HE LYS 37 -3.902 4.220 11.887 285 2HE LYS 37 1HE LYS 37 -4.111 2.597 12.544 286 1HZ LYS 37 1HE LYS 37 -1.691 3.998 11.826 287 2HZ LYS 37 2HE LYS 37 -1.749 2.390 11.280 288 3HZ LYS 37 3HE LYS 37 -1.926 2.736 12.934 289 H ILE 38 HN ILE 38 -8.214 2.907 7.319 290 HA ILE 38 HA ILE 38 -9.726 0.720 6.065 291 HB ILE 38 HB ILE 38 -9.145 3.534 5.091 292 1HG1 ILE 38 2HG1 ILE 38 -11.575 2.347 6.472 293 2HG1 ILE 38 1HG1 ILE 38 -10.433 3.479 7.197 294 1HG2 ILE 38 1HG2 ILE 38 -11.555 2.421 4.038 295 2HG2 ILE 38 2HG2 ILE 38 -10.259 1.255 3.768 296 3HG2 ILE 38 3HG2 ILE 38 -10.104 2.902 3.159 297 1HD1 ILE 38 1HD1 ILE 38 -12.395 4.705 6.417 298 2HD1 ILE 38 2HD1 ILE 38 -12.217 4.016 4.804 299 3HD1 ILE 38 3HD1 ILE 38 -11.005 5.136 5.422 300 H MET 39 HN MET 39 -8.730 -0.739 4.771 301 HA MET 39 HA MET 39 -6.114 -0.027 3.550 302 1HB MET 39 2HB MET 39 -6.509 -2.171 4.911 303 2HB MET 39 1HB MET 39 -7.453 -2.737 3.534 304 1HG MET 39 2HG MET 39 -5.424 -2.213 2.086 305 2HG MET 39 1HG MET 39 -4.520 -2.000 3.587 306 1HE MET 39 1HE MET 39 -7.166 -5.462 2.700 307 2HE MET 39 2HE MET 39 -6.154 -5.206 1.282 308 3HE MET 39 3HE MET 39 -7.105 -3.872 1.929 309 H VAL 40 HN VAL 40 -6.518 1.046 1.621 310 HA VAL 40 HA VAL 40 -8.687 0.087 -0.137 311 HB VAL 40 HB VAL 40 -6.722 2.349 -0.584 312 1HG1 VAL 40 1HG1 VAL 40 -8.916 1.169 -2.120 313 2HG1 VAL 40 2HG1 VAL 40 -7.673 2.308 -2.636 314 3HG1 VAL 40 3HG1 VAL 40 -9.137 2.898 -1.850 315 1HG2 VAL 40 1HG2 VAL 40 -9.312 3.316 0.043 316 2HG2 VAL 40 2HG2 VAL 40 -7.848 3.474 1.013 317 3HG2 VAL 40 3HG2 VAL 40 -8.929 2.104 1.265 318 H VAL 41 HN VAL 41 -8.271 -1.521 -1.518 319 HA VAL 41 HA VAL 41 -5.531 -1.719 -2.693 320 HB VAL 41 HB VAL 41 -6.176 -4.177 -3.053 321 1HG1 VAL 41 1HG1 VAL 41 -5.694 -2.944 -0.343 322 2HG1 VAL 41 2HG1 VAL 41 -4.536 -3.735 -1.412 323 3HG1 VAL 41 3HG1 VAL 41 -5.749 -4.692 -0.564 324 1HG2 VAL 41 1HG2 VAL 41 -8.289 -3.363 -1.033 325 2HG2 VAL 41 2HG2 VAL 41 -7.877 -5.029 -1.435 326 3HG2 VAL 41 3HG2 VAL 41 -8.577 -3.974 -2.662 327 H GLY 42 HN GLY 42 -5.807 -3.192 -4.823 328 1HA GLY 42 2HA GLY 42 -7.998 -1.916 -6.411 329 2HA GLY 42 1HA GLY 42 -6.411 -2.299 -7.077 330 H ARG 43 HN ARG 43 -9.191 -3.256 -7.805 331 HA ARG 43 HA ARG 43 -9.852 -5.830 -7.116 332 1HB ARG 43 2HB ARG 43 -10.918 -4.364 -8.906 333 2HB ARG 43 1HB ARG 43 -9.689 -4.978 -10.011 334 1HG ARG 43 2HG ARG 43 -11.020 -7.095 -8.468 335 2HG ARG 43 1HG ARG 43 -12.122 -6.191 -9.507 336 1HD ARG 43 2HD ARG 43 -9.483 -7.179 -10.573 337 2HD ARG 43 1HD ARG 43 -10.885 -8.247 -10.514 338 HE ARG 43 HE ARG 43 -11.466 -5.681 -11.773 339 1HH1 ARG 43 1HH2 ARG 43 -10.208 -8.891 -12.212 340 2HH1 ARG 43 2HH2 ARG 43 -10.572 -8.927 -13.903 341 1HH2 ARG 43 1HH1 ARG 43 -11.927 -5.742 -13.973 342 2HH2 ARG 43 2HH1 ARG 43 -11.538 -7.156 -14.896 343 H ARG 44 HN ARG 44 -6.995 -4.895 -8.966 344 HA ARG 44 HA ARG 44 -6.403 -7.596 -9.856 345 1HB ARG 44 2HB ARG 44 -5.017 -4.951 -9.887 346 2HB ARG 44 1HB ARG 44 -4.020 -6.395 -10.061 347 1HG ARG 44 2HG ARG 44 -6.158 -6.906 -11.752 348 2HG ARG 44 1HG ARG 44 -5.885 -5.177 -11.966 349 1HD ARG 44 2HD ARG 44 -3.356 -5.882 -12.118 350 2HD ARG 44 1HD ARG 44 -4.021 -7.468 -12.510 351 HE ARG 44 HE ARG 44 -5.222 -5.349 -14.096 352 1HH1 ARG 44 1HH1 ARG 44 -2.500 -7.476 -13.753 353 2HH1 ARG 44 2HH1 ARG 44 -2.122 -7.455 -15.442 354 1HH2 ARG 44 1HH2 ARG 44 -4.721 -5.330 -16.289 355 2HH2 ARG 44 2HH2 ARG 44 -3.372 -6.248 -16.871 356 H THR 45 HN THR 45 -5.230 -5.524 -7.189 357 HA THR 45 HA THR 45 -3.382 -7.519 -6.200 358 HB THR 45 HB THR 45 -4.591 -5.334 -4.509 359 HG1 THR 45 HG1 THR 45 -2.473 -5.089 -6.378 360 1HG2 THR 45 1HG2 THR 45 -1.743 -6.326 -4.656 361 2HG2 THR 45 2HG2 THR 45 -2.950 -7.112 -3.639 362 3HG2 THR 45 3HG2 THR 45 -2.519 -5.427 -3.353 363 H TYR 46 HN TYR 46 -6.538 -6.374 -4.888 364 HA TYR 46 HA TYR 46 -6.791 -8.234 -2.813 365 1HB TYR 46 2HB TYR 46 -8.363 -6.312 -3.404 366 2HB TYR 46 1HB TYR 46 -9.106 -7.406 -4.572 367 HD1 TYR 46 HD1 TYR 46 -10.518 -9.217 -3.873 368 HD2 TYR 46 HD2 TYR 46 -8.386 -6.879 -0.970 369 HE1 TYR 46 HE1 TYR 46 -11.846 -10.261 -2.058 370 HE2 TYR 46 HE2 TYR 46 -9.714 -7.922 0.846 371 HH TYR 46 HH TYR 46 -12.396 -9.211 0.650 372 H GLU 47 HN GLU 47 -7.519 -8.686 -6.263 373 HA GLU 47 HA GLU 47 -8.598 -11.358 -5.884 374 1HB GLU 47 2HB GLU 47 -7.794 -9.688 -8.240 375 2HB GLU 47 1HB GLU 47 -8.017 -11.423 -8.463 376 1HG GLU 47 HG2 GLU 47 -10.240 -10.815 -7.005 377 2HG GLU 47 HG1 GLU 47 -10.027 -9.321 -7.918 378 H SER 48 HN SER 48 -5.421 -10.026 -6.071 379 HA SER 48 HA SER 48 -4.249 -12.685 -6.706 380 1HB SER 48 2HB SER 48 -2.958 -9.954 -6.459 381 2HB SER 48 1HB SER 48 -2.104 -11.439 -6.872 382 HG SER 48 HG SER 48 -3.920 -9.921 -8.354 383 H PHE 49 HN PHE 49 -4.915 -10.606 -4.033 384 HA PHE 49 HA PHE 49 -2.861 -11.062 -2.211 385 1HB PHE 49 2HB PHE 49 -5.727 -10.486 -2.044 386 2HB PHE 49 1HB PHE 49 -5.147 -11.413 -0.664 387 HD1 PHE 49 HD1 PHE 49 -4.895 -8.227 -2.488 388 HD2 PHE 49 HD2 PHE 49 -3.460 -10.500 0.861 389 HE1 PHE 49 HE1 PHE 49 -3.911 -6.171 -1.509 390 HE2 PHE 49 HE2 PHE 49 -2.471 -8.448 1.836 391 HZ PHE 49 HZ PHE 49 -2.697 -6.283 0.650 392 HA PRO 50 HA PRO 50 -2.871 -15.436 -1.372 393 1HB PRO 50 2HB PRO 50 -1.655 -15.259 1.143 394 2HB PRO 50 1HB PRO 50 -0.815 -15.321 -0.413 395 1HG PRO 50 2HG PRO 50 -0.968 -13.132 1.417 396 2HG PRO 50 1HG PRO 50 -0.141 -13.194 -0.146 397 1HD PRO 50 2HD PRO 50 -2.709 -11.965 0.539 398 2HD PRO 50 1HD PRO 50 -1.690 -11.709 -0.885 399 H LYS 51 HN LYS 51 -3.581 -13.558 1.616 400 HA LYS 51 HA LYS 51 -5.918 -15.375 2.039 401 1HB LYS 51 2HB LYS 51 -3.913 -15.870 3.543 402 2HB LYS 51 1HB LYS 51 -4.199 -14.293 4.280 403 1HG LYS 51 2HG LYS 51 -6.699 -15.233 4.413 404 2HG LYS 51 1HG LYS 51 -5.847 -16.777 4.421 405 1HD LYS 51 2HD LYS 51 -4.338 -15.430 6.212 406 2HD LYS 51 1HD LYS 51 -5.889 -14.629 6.473 407 1HE LYS 51 2HE LYS 51 -6.980 -16.744 6.917 408 2HE LYS 51 1HE LYS 51 -5.530 -17.638 6.461 409 1HZ LYS 51 1HE LYS 51 -4.847 -17.484 8.545 410 2HZ LYS 51 2HE LYS 51 -6.209 -16.561 8.966 411 3HZ LYS 51 3HE LYS 51 -4.797 -15.793 8.417 412 H ARG 52 HN ARG 52 -7.483 -13.875 1.421 413 HA ARG 52 HA ARG 52 -7.602 -11.395 3.087 414 1HB ARG 52 2HB ARG 52 -9.094 -10.826 0.802 415 2HB ARG 52 1HB ARG 52 -7.480 -10.220 1.157 416 1HG ARG 52 2HG ARG 52 -7.313 -11.196 -1.005 417 2HG ARG 52 1HG ARG 52 -6.603 -12.385 0.084 418 1HD ARG 52 2HD ARG 52 -8.042 -13.860 -0.850 419 2HD ARG 52 1HD ARG 52 -9.284 -13.062 0.108 420 HE ARG 52 HE ARG 52 -9.856 -11.714 -1.860 421 1HH1 ARG 52 1HH1 ARG 52 -7.589 -14.305 -2.386 422 2HH1 ARG 52 2HH1 ARG 52 -7.885 -14.360 -4.088 423 1HH2 ARG 52 1HH2 ARG 52 -10.226 -11.814 -4.063 424 2HH2 ARG 52 2HH2 ARG 52 -9.366 -12.964 -5.032 425 HA PRO 53 HA PRO 53 -9.074 -9.715 3.105 426 1HB PRO 53 2HB PRO 53 -10.747 -8.950 5.214 427 2HB PRO 53 1HB PRO 53 -11.030 -8.634 3.497 428 1HG PRO 53 2HG PRO 53 -12.493 -10.371 5.238 429 2HG PRO 53 1HG PRO 53 -12.781 -10.042 3.524 430 1HD PRO 53 2HD PRO 53 -11.527 -12.376 4.764 431 2HD PRO 53 1HD PRO 53 -12.131 -12.174 3.111 432 H LEU 54 HN LEU 54 -8.307 -8.468 5.152 433 HA LEU 54 HA LEU 54 -6.689 -10.322 6.731 434 1HB LEU 54 2HB LEU 54 -6.939 -7.304 6.740 435 2HB LEU 54 1HB LEU 54 -5.833 -8.189 7.793 436 HG LEU 54 HG LEU 54 -5.805 -8.783 4.856 437 1HD1 LEU 54 1HD1 LEU 54 -5.004 -6.773 4.238 438 2HD1 LEU 54 2HD1 LEU 54 -3.829 -6.781 5.554 439 3HD1 LEU 54 3HD1 LEU 54 -5.457 -6.160 5.829 440 1HD2 LEU 54 1HD2 LEU 54 -3.346 -8.472 6.488 441 2HD2 LEU 54 2HD2 LEU 54 -3.782 -9.738 5.339 442 3HD2 LEU 54 3HD2 LEU 54 -4.428 -9.775 6.980 443 HA PRO 55 HA PRO 55 -9.320 -10.634 10.277 444 1HB PRO 55 2HB PRO 55 -7.261 -11.095 12.138 445 2HB PRO 55 1HB PRO 55 -8.125 -12.318 11.196 446 1HG PRO 55 2HG PRO 55 -5.396 -11.495 10.949 447 2HG PRO 55 1HG PRO 55 -6.257 -12.734 10.026 448 1HD PRO 55 2HD PRO 55 -5.502 -10.048 9.207 449 2HD PRO 55 1HD PRO 55 -6.139 -11.376 8.225 450 H GLU 56 HN GLU 56 -10.106 -9.323 11.895 451 HA GLU 56 HA GLU 56 -10.405 -7.294 13.049 452 1HB GLU 56 2HB GLU 56 -7.667 -8.286 13.791 453 2HB GLU 56 1HB GLU 56 -8.261 -6.762 14.451 454 1HG GLU 56 HG2 GLU 56 -10.224 -7.872 15.372 455 2HG GLU 56 HG1 GLU 56 -9.753 -9.396 14.619 456 H ARG 57 HN ARG 57 -9.549 -6.945 10.280 457 HA ARG 57 HA ARG 57 -8.344 -4.242 10.591 458 1HB ARG 57 2HB ARG 57 -7.201 -6.539 9.094 459 2HB ARG 57 1HB ARG 57 -7.180 -4.983 8.263 460 1HG ARG 57 2HG ARG 57 -5.372 -4.414 9.474 461 2HG ARG 57 1HG ARG 57 -6.384 -4.440 10.916 462 1HD ARG 57 2HD ARG 57 -5.773 -7.144 10.272 463 2HD ARG 57 1HD ARG 57 -4.267 -6.234 10.196 464 HE ARG 57 HE ARG 57 -5.386 -5.358 12.550 465 1HH1 ARG 57 1HH2 ARG 57 -4.739 -8.486 11.184 466 2HH1 ARG 57 2HH2 ARG 57 -4.509 -9.238 12.725 467 1HH2 ARG 57 1HH1 ARG 57 -5.079 -6.347 14.543 468 2HH2 ARG 57 2HH1 ARG 57 -4.699 -8.035 14.616 469 H THR 58 HN THR 58 -9.480 -2.759 9.448 470 HA THR 58 HA THR 58 -11.728 -3.618 7.801 471 HB THR 58 HB THR 58 -10.692 -0.790 7.993 472 HG1 THR 58 HG1 THR 58 -10.865 -1.109 10.072 473 1HG2 THR 58 1HG2 THR 58 -13.439 -2.043 7.737 474 2HG2 THR 58 2HG2 THR 58 -12.558 -1.179 6.477 475 3HG2 THR 58 3HG2 THR 58 -13.140 -0.312 7.898 476 H ASN 59 HN ASN 59 -11.546 -4.107 5.675 477 HA ASN 59 HA ASN 59 -9.356 -2.789 4.115 478 1HB ASN 59 2HB ASN 59 -10.505 -5.506 3.459 479 2HB ASN 59 1HB ASN 59 -8.989 -4.797 2.905 480 1HD2 ASN 59 1HD2 ASN 59 -7.986 -3.849 5.422 481 2HD2 ASN 59 2HD2 ASN 59 -7.651 -5.194 6.401 482 H VAL 60 HN VAL 60 -9.968 -1.885 2.135 483 HA VAL 60 HA VAL 60 -12.806 -2.301 1.303 484 HB VAL 60 HB VAL 60 -11.210 0.286 1.271 485 1HG1 VAL 60 1HG1 VAL 60 -13.055 1.319 0.228 486 2HG1 VAL 60 2HG1 VAL 60 -14.136 -0.020 0.610 487 3HG1 VAL 60 3HG1 VAL 60 -12.907 -0.209 -0.638 488 1HG2 VAL 60 1HG2 VAL 60 -13.592 0.623 2.693 489 2HG2 VAL 60 2HG2 VAL 60 -11.984 0.455 3.391 490 3HG2 VAL 60 3HG2 VAL 60 -13.013 -0.962 3.204 491 H VAL 61 HN VAL 61 -13.031 -2.781 -0.856 492 HA VAL 61 HA VAL 61 -10.520 -2.900 -2.452 493 HB VAL 61 HB VAL 61 -13.194 -4.164 -3.100 494 1HG1 VAL 61 1HG1 VAL 61 -11.694 -3.995 -5.003 495 2HG1 VAL 61 2HG1 VAL 61 -11.716 -5.672 -4.458 496 3HG1 VAL 61 3HG1 VAL 61 -10.353 -4.629 -4.052 497 1HG2 VAL 61 1HG2 VAL 61 -12.758 -5.876 -1.676 498 2HG2 VAL 61 2HG2 VAL 61 -11.619 -4.779 -0.898 499 3HG2 VAL 61 3HG2 VAL 61 -11.052 -5.916 -2.119 500 H LEU 62 HN LEU 62 -10.453 -2.106 -4.603 501 HA LEU 62 HA LEU 62 -12.576 -0.092 -5.248 502 1HB LEU 62 2HB LEU 62 -10.022 0.548 -4.719 503 2HB LEU 62 1HB LEU 62 -9.839 0.135 -6.424 504 HG LEU 62 HG LEU 62 -11.753 1.683 -6.935 505 1HD1 LEU 62 1HD1 LEU 62 -11.847 1.729 -4.032 506 2HD1 LEU 62 2HD1 LEU 62 -13.023 2.346 -5.194 507 3HD1 LEU 62 3HD1 LEU 62 -11.676 3.360 -4.679 508 1HD2 LEU 62 1HD2 LEU 62 -9.768 2.752 -7.421 509 2HD2 LEU 62 2HD2 LEU 62 -9.123 2.517 -5.797 510 3HD2 LEU 62 3HD2 LEU 62 -10.307 3.788 -6.100 511 H THR 63 HN THR 63 -13.677 -0.563 -7.105 512 HA THR 63 HA THR 63 -12.271 -1.997 -9.285 513 HB THR 63 HB THR 63 -13.255 -3.793 -7.926 514 HG1 THR 63 HG1 THR 63 -13.329 -3.885 -10.251 515 1HG2 THR 63 1HG2 THR 63 -15.973 -2.632 -8.501 516 2HG2 THR 63 2HG2 THR 63 -15.082 -2.169 -7.052 517 3HG2 THR 63 3HG2 THR 63 -15.528 -3.854 -7.313 518 H HIS 64 HN HIS 64 -13.454 -1.914 -11.324 519 HA HIS 64 HA HIS 64 -15.231 0.468 -11.477 520 1HB HIS 64 2HB HIS 64 -13.227 -0.777 -13.240 521 2HB HIS 64 1HB HIS 64 -14.702 -0.295 -14.074 522 HD1 HIS 64 HD1 HIS 64 -15.509 2.285 -13.008 523 HD2 HIS 64 HD2 HIS 64 -11.463 1.329 -13.305 524 HE1 HIS 64 HE1 HIS 64 -14.251 4.484 -13.009 525 H GLN 65 HN GLN 65 -15.516 -2.836 -11.220 526 HA GLN 65 HA GLN 65 -17.536 -3.346 -13.236 527 1HB GLN 65 2HB GLN 65 -16.509 -4.803 -10.813 528 2HB GLN 65 1HB GLN 65 -17.980 -5.358 -11.612 529 1HG GLN 65 2HG GLN 65 -15.990 -6.513 -12.516 530 2HG GLN 65 1HG GLN 65 -16.767 -5.524 -13.751 531 1HE2 GLN 65 1HE2 GLN 65 -13.866 -5.861 -11.773 532 2HE2 GLN 65 2HE2 GLN 65 -12.988 -4.610 -12.516 533 H GLU 66 HN GLU 66 -19.751 -4.296 -12.252 534 HA GLU 66 HA GLU 66 -20.784 -2.196 -10.386 535 1HB GLU 66 2HB GLU 66 -21.549 -2.395 -12.930 536 2HB GLU 66 1HB GLU 66 -22.613 -3.634 -12.263 537 1HG GLU 66 HG2 GLU 66 -23.918 -2.109 -11.208 538 2HG GLU 66 HG1 GLU 66 -22.528 -1.175 -10.653 539 H ASP 67 HN ASP 67 -20.648 -5.618 -11.124 540 HA ASP 67 HA ASP 67 -22.526 -6.166 -8.875 541 1HB ASP 67 2HB ASP 67 -22.206 -7.347 -11.418 542 2HB ASP 67 1HB ASP 67 -21.619 -8.539 -10.259 543 H TYR 68 HN TYR 68 -19.722 -5.287 -8.459 544 HA TYR 68 HA TYR 68 -18.050 -7.507 -7.776 545 1HB TYR 68 2HB TYR 68 -17.546 -4.914 -7.872 546 2HB TYR 68 1HB TYR 68 -17.989 -4.974 -6.166 547 HD1 TYR 68 HD1 TYR 68 -15.639 -6.262 -8.722 548 HD2 TYR 68 HD2 TYR 68 -16.583 -6.069 -4.537 549 HE1 TYR 68 HE1 TYR 68 -13.400 -7.176 -8.176 550 HE2 TYR 68 HE2 TYR 68 -14.343 -6.982 -3.990 551 HH TYR 68 HH TYR 68 -12.514 -8.599 -5.854 552 H GLN 69 HN GLN 69 -18.788 -9.100 -6.429 553 HA GLN 69 HA GLN 69 -20.401 -8.302 -4.054 554 1HB GLN 69 2HB GLN 69 -19.972 -11.004 -5.361 555 2HB GLN 69 1HB GLN 69 -20.942 -10.737 -3.912 556 1HG GLN 69 2HG GLN 69 -21.538 -9.021 -6.275 557 2HG GLN 69 1HG GLN 69 -22.024 -10.715 -6.369 558 1HE2 GLN 69 1HE2 GLN 69 -23.418 -7.891 -5.706 559 2HE2 GLN 69 2HE2 GLN 69 -24.453 -8.318 -4.430 560 H ALA 70 HN ALA 70 -19.179 -7.984 -2.265 561 HA ALA 70 HA ALA 70 -17.099 -10.014 -1.617 562 1HB ALA 70 1HB ALA 70 -16.698 -7.126 -2.100 563 2HB ALA 70 2HB ALA 70 -15.534 -8.450 -2.165 564 3HB ALA 70 3HB ALA 70 -15.968 -7.733 -0.613 565 H GLN 71 HN GLN 71 -18.480 -10.872 -0.008 566 HA GLN 71 HA GLN 71 -19.733 -9.149 1.982 567 1HB GLN 71 2HB GLN 71 -19.359 -12.148 1.790 568 2HB GLN 71 1HB GLN 71 -20.202 -11.366 3.127 569 1HG GLN 71 2HG GLN 71 -22.076 -11.280 1.888 570 2HG GLN 71 1HG GLN 71 -21.242 -10.267 0.710 571 1HE2 GLN 71 1HE2 GLN 71 -20.708 -11.213 -1.300 572 2HE2 GLN 71 2HE2 GLN 71 -20.949 -12.852 -1.668 573 H GLY 72 HN GLY 72 -18.727 -8.337 3.748 574 1HA GLY 72 2HA GLY 72 -17.393 -8.724 5.778 575 2HA GLY 72 1HA GLY 72 -16.371 -9.812 4.837 576 H ALA 73 HN ALA 73 -16.217 -8.035 2.513 577 HA ALA 73 HA ALA 73 -14.393 -5.981 3.685 578 1HB ALA 73 1HB ALA 73 -13.184 -7.576 2.321 579 2HB ALA 73 2HB ALA 73 -13.271 -6.054 1.434 580 3HB ALA 73 3HB ALA 73 -14.340 -7.389 1.002 581 H VAL 74 HN VAL 74 -14.602 -3.871 3.032 582 HA VAL 74 HA VAL 74 -17.134 -2.923 2.095 583 HB VAL 74 HB VAL 74 -14.479 -1.470 1.922 584 1HG1 VAL 74 1HG1 VAL 74 -16.094 0.498 2.358 585 2HG1 VAL 74 2HG1 VAL 74 -17.376 -0.623 1.903 586 3HG1 VAL 74 3HG1 VAL 74 -16.109 -0.217 0.746 587 1HG2 VAL 74 1HG2 VAL 74 -15.098 -0.585 4.173 588 2HG2 VAL 74 2HG2 VAL 74 -14.811 -2.325 4.190 589 3HG2 VAL 74 3HG2 VAL 74 -16.461 -1.704 4.207 590 H VAL 75 HN VAL 75 -17.527 -1.764 -0.026 591 HA VAL 75 HA VAL 75 -15.722 -2.593 -2.222 592 HB VAL 75 HB VAL 75 -18.712 -3.122 -2.236 593 1HG1 VAL 75 1HG1 VAL 75 -16.492 -3.378 -4.233 594 2HG1 VAL 75 2HG1 VAL 75 -18.148 -2.819 -4.469 595 3HG1 VAL 75 3HG1 VAL 75 -17.817 -4.541 -4.280 596 1HG2 VAL 75 1HG2 VAL 75 -17.532 -4.679 -0.727 597 2HG2 VAL 75 2HG2 VAL 75 -16.379 -5.051 -2.009 598 3HG2 VAL 75 3HG2 VAL 75 -18.072 -5.512 -2.184 599 H VAL 76 HN VAL 76 -15.477 -0.842 -3.588 600 HA VAL 76 HA VAL 76 -17.734 1.079 -3.817 601 HB VAL 76 HB VAL 76 -16.122 2.981 -3.518 602 1HG1 VAL 76 1HG1 VAL 76 -15.937 1.417 -0.992 603 2HG1 VAL 76 2HG1 VAL 76 -17.553 1.658 -1.655 604 3HG1 VAL 76 3HG1 VAL 76 -16.545 3.050 -1.262 605 1HG2 VAL 76 1HG2 VAL 76 -14.241 0.844 -3.579 606 2HG2 VAL 76 2HG2 VAL 76 -14.172 1.543 -1.962 607 3HG2 VAL 76 3HG2 VAL 76 -13.912 2.563 -3.376 608 H HIS 77 HN HIS 77 -17.472 2.541 -5.682 609 HA HIS 77 HA HIS 77 -15.502 1.575 -7.708 610 1HB HIS 77 2HB HIS 77 -18.351 2.305 -8.412 611 2HB HIS 77 1HB HIS 77 -17.167 1.451 -9.401 612 HD1 HIS 77 HD1 HIS 77 -16.235 -0.811 -7.824 613 HD2 HIS 77 HD2 HIS 77 -20.190 0.455 -7.526 614 HE1 HIS 77 HE1 HIS 77 -17.549 -2.783 -6.924 615 H ASP 78 HN ASP 78 -15.553 3.963 -5.956 616 HA ASP 78 HA ASP 78 -14.973 5.938 -7.980 617 1HB ASP 78 2HB ASP 78 -17.651 5.797 -7.414 618 2HB ASP 78 1HB ASP 78 -17.114 7.014 -6.256 619 H VAL 79 HN VAL 79 -13.099 6.559 -7.004 620 HA VAL 79 HA VAL 79 -12.310 6.518 -4.376 621 HB VAL 79 HB VAL 79 -11.762 8.786 -6.312 622 1HG1 VAL 79 1HG1 VAL 79 -10.513 9.647 -4.656 623 2HG1 VAL 79 2HG1 VAL 79 -9.528 8.186 -4.675 624 3HG1 VAL 79 3HG1 VAL 79 -10.921 8.297 -3.598 625 1HG2 VAL 79 1HG2 VAL 79 -9.723 6.712 -5.968 626 2HG2 VAL 79 2HG2 VAL 79 -10.395 7.386 -7.451 627 3HG2 VAL 79 3HG2 VAL 79 -11.229 6.073 -6.623 628 H ALA 80 HN ALA 80 -14.569 8.808 -5.799 629 HA ALA 80 HA ALA 80 -14.576 10.796 -3.770 630 1HB ALA 80 1HB ALA 80 -17.256 10.384 -4.674 631 2HB ALA 80 2HB ALA 80 -16.177 10.108 -6.041 632 3HB ALA 80 3HB ALA 80 -16.123 11.640 -5.170 633 H ALA 81 HN ALA 81 -16.432 7.754 -4.026 634 HA ALA 81 HA ALA 81 -17.887 8.115 -1.577 635 1HB ALA 81 1HB ALA 81 -18.889 6.431 -2.759 636 2HB ALA 81 2HB ALA 81 -17.787 5.415 -1.830 637 3HB ALA 81 3HB ALA 81 -17.370 5.893 -3.475 638 H VAL 82 HN VAL 82 -14.886 6.310 -2.328 639 HA VAL 82 HA VAL 82 -14.391 5.234 0.221 640 HB VAL 82 HB VAL 82 -12.190 6.406 -1.490 641 1HG1 VAL 82 1HG1 VAL 82 -11.980 5.166 0.858 642 2HG1 VAL 82 2HG1 VAL 82 -10.818 4.872 -0.435 643 3HG1 VAL 82 3HG1 VAL 82 -12.133 3.731 -0.154 644 1HG2 VAL 82 1HG2 VAL 82 -13.516 5.235 -3.087 645 2HG2 VAL 82 2HG2 VAL 82 -13.886 3.943 -1.946 646 3HG2 VAL 82 3HG2 VAL 82 -12.260 4.093 -2.611 647 H PHE 83 HN PHE 83 -13.651 8.498 -0.984 648 HA PHE 83 HA PHE 83 -12.194 9.386 1.305 649 1HB PHE 83 2HB PHE 83 -13.637 10.697 -0.951 650 2HB PHE 83 1HB PHE 83 -13.283 11.689 0.464 651 HD1 PHE 83 HD1 PHE 83 -11.977 10.385 -2.581 652 HD2 PHE 83 HD2 PHE 83 -10.843 11.536 1.397 653 HE1 PHE 83 HE1 PHE 83 -9.620 10.624 -3.317 654 HE2 PHE 83 HE2 PHE 83 -8.490 11.774 0.658 655 HZ PHE 83 HZ PHE 83 -7.881 11.314 -1.699 656 H ALA 84 HN ALA 84 -15.671 9.358 0.589 657 HA ALA 84 HA ALA 84 -16.584 10.935 2.745 658 1HB ALA 84 1HB ALA 84 -18.549 9.071 2.587 659 2HB ALA 84 2HB ALA 84 -17.736 8.793 1.047 660 3HB ALA 84 3HB ALA 84 -18.373 10.392 1.432 661 H TYR 85 HN TYR 85 -16.361 7.349 2.707 662 HA TYR 85 HA TYR 85 -17.003 6.824 5.349 663 1HB TYR 85 2HB TYR 85 -16.272 5.233 3.396 664 2HB TYR 85 1HB TYR 85 -14.674 5.378 4.129 665 HD1 TYR 85 HD1 TYR 85 -18.244 4.805 5.147 666 HD2 TYR 85 HD2 TYR 85 -14.103 3.880 5.820 667 HE1 TYR 85 HE1 TYR 85 -18.893 3.165 6.891 668 HE2 TYR 85 HE2 TYR 85 -14.751 2.240 7.564 669 HH TYR 85 HH TYR 85 -16.733 1.891 9.109 670 H ALA 86 HN ALA 86 -13.638 7.408 4.199 671 HA ALA 86 HA ALA 86 -12.367 7.302 6.704 672 1HB ALA 86 1HB ALA 86 -10.906 9.232 5.533 673 2HB ALA 86 2HB ALA 86 -11.800 8.665 4.123 674 3HB ALA 86 3HB ALA 86 -10.804 7.541 5.045 675 H LYS 87 HN LYS 87 -13.877 10.138 5.146 676 HA LYS 87 HA LYS 87 -13.278 11.990 7.241 677 1HB LYS 87 2HB LYS 87 -14.464 12.173 4.779 678 2HB LYS 87 1HB LYS 87 -15.856 12.367 5.845 679 1HG LYS 87 2HG LYS 87 -13.927 13.948 7.055 680 2HG LYS 87 1HG LYS 87 -13.626 14.204 5.337 681 1HD LYS 87 2HD LYS 87 -16.459 14.234 5.751 682 2HD LYS 87 1HD LYS 87 -15.720 15.305 6.940 683 1HE LYS 87 2HE LYS 87 -14.769 16.683 5.305 684 2HE LYS 87 1HE LYS 87 -14.836 15.428 4.069 685 1HZ LYS 87 1HE LYS 87 -17.402 16.205 5.159 686 2HZ LYS 87 2HE LYS 87 -16.939 15.934 3.547 687 3HZ LYS 87 3HE LYS 87 -16.606 17.425 4.291 688 H GLN 88 HN GLN 88 -15.584 9.423 7.009 689 HA GLN 88 HA GLN 88 -17.295 10.488 9.150 690 1HB GLN 88 2HB GLN 88 -17.398 8.258 7.233 691 2HB GLN 88 1HB GLN 88 -18.033 7.856 8.829 692 1HG GLN 88 2HG GLN 88 -19.805 9.285 8.633 693 2HG GLN 88 1HG GLN 88 -18.866 10.489 7.750 694 1HE2 GLN 88 1HE2 GLN 88 -18.713 10.269 5.412 695 2HE2 GLN 88 2HE2 GLN 88 -19.719 9.207 4.551 696 H HIS 89 HN HIS 89 -14.871 7.871 8.787 697 HA HIS 89 HA HIS 89 -15.176 7.157 11.622 698 1HB HIS 89 2HB HIS 89 -13.750 6.065 9.255 699 2HB HIS 89 1HB HIS 89 -13.012 5.760 10.827 700 HD1 HIS 89 HD1 HIS 89 -14.251 4.202 12.454 701 HD2 HIS 89 HD2 HIS 89 -16.332 4.855 8.901 702 HE1 HIS 89 HE1 HIS 89 -16.149 2.526 12.418 703 HA PRO 90 HA PRO 90 -11.983 10.080 12.827 704 1HB PRO 90 2HB PRO 90 -12.122 9.318 15.523 705 2HB PRO 90 1HB PRO 90 -13.039 10.620 14.756 706 1HG PRO 90 2HG PRO 90 -14.016 8.131 15.775 707 2HG PRO 90 1HG PRO 90 -14.933 9.447 15.029 708 1HD PRO 90 2HD PRO 90 -14.145 6.886 13.881 709 2HD PRO 90 1HD PRO 90 -15.291 8.086 13.262 710 H ASP 91 HN ASP 91 -12.001 6.751 14.219 711 HA ASP 91 HA ASP 91 -9.041 6.867 14.364 712 1HB ASP 91 2HB ASP 91 -11.079 4.888 15.419 713 2HB ASP 91 1HB ASP 91 -9.335 4.648 15.542 714 H GLN 92 HN GLN 92 -10.868 6.488 11.877 715 HA GLN 92 HA GLN 92 -9.265 4.244 10.764 716 1HB GLN 92 2HB GLN 92 -11.879 3.817 11.425 717 2HB GLN 92 1HB GLN 92 -12.060 4.436 9.784 718 1HG GLN 92 2HG GLN 92 -11.084 2.604 8.841 719 2HG GLN 92 1HG GLN 92 -9.912 2.433 10.147 720 1HE2 GLN 92 1HE2 GLN 92 -13.368 1.851 9.366 721 2HE2 GLN 92 2HE2 GLN 92 -13.567 0.589 10.484 722 H GLU 93 HN GLU 93 -8.029 5.662 9.521 723 HA GLU 93 HA GLU 93 -9.427 7.701 7.904 724 1HB GLU 93 2HB GLU 93 -6.614 7.194 8.755 725 2HB GLU 93 1HB GLU 93 -6.854 8.055 7.236 726 1HG GLU 93 HG2 GLU 93 -8.132 9.774 8.302 727 2HG GLU 93 HG1 GLU 93 -8.264 8.841 9.793 728 H LEU 94 HN LEU 94 -7.691 7.784 5.715 729 HA LEU 94 HA LEU 94 -8.558 5.332 4.264 730 1HB LEU 94 2HB LEU 94 -8.891 7.948 3.589 731 2HB LEU 94 1HB LEU 94 -7.380 7.594 2.758 732 HG LEU 94 HG LEU 94 -8.754 5.388 2.073 733 1HD1 LEU 94 1HD1 LEU 94 -11.062 6.784 1.440 734 2HD1 LEU 94 2HD1 LEU 94 -10.724 7.310 3.086 735 3HD1 LEU 94 3HD1 LEU 94 -10.912 5.594 2.731 736 1HD2 LEU 94 1HD2 LEU 94 -9.638 7.380 0.246 737 2HD2 LEU 94 2HD2 LEU 94 -8.227 6.336 0.096 738 3HD2 LEU 94 3HD2 LEU 94 -8.076 7.915 0.865 739 H VAL 95 HN VAL 95 -6.985 3.796 4.164 740 HA VAL 95 HA VAL 95 -4.161 4.730 3.818 741 HB VAL 95 HB VAL 95 -5.060 2.083 4.997 742 1HG1 VAL 95 1HG1 VAL 95 -2.744 2.429 3.856 743 2HG1 VAL 95 2HG1 VAL 95 -2.788 1.703 5.463 744 3HG1 VAL 95 3HG1 VAL 95 -2.370 3.406 5.275 745 1HG2 VAL 95 1HG2 VAL 95 -4.166 3.178 7.141 746 2HG2 VAL 95 2HG2 VAL 95 -5.735 3.744 6.569 747 3HG2 VAL 95 3HG2 VAL 95 -4.289 4.711 6.278 748 H ILE 96 HN ILE 96 -3.288 4.223 1.895 749 HA ILE 96 HA ILE 96 -4.779 2.470 0.063 750 HB ILE 96 HB ILE 96 -2.225 4.022 -0.414 751 1HG1 ILE 96 2HG1 ILE 96 -4.084 5.485 0.328 752 2HG1 ILE 96 1HG1 ILE 96 -3.692 5.751 -1.366 753 1HG2 ILE 96 1HG2 ILE 96 -4.276 2.755 -2.246 754 2HG2 ILE 96 2HG2 ILE 96 -2.576 2.319 -2.090 755 3HG2 ILE 96 3HG2 ILE 96 -3.026 3.869 -2.798 756 1HD1 ILE 96 1HD1 ILE 96 -5.595 3.696 -1.398 757 2HD1 ILE 96 2HD1 ILE 96 -5.861 5.382 -1.837 758 3HD1 ILE 96 3HD1 ILE 96 -6.182 4.839 -0.191 759 H ALA 97 HN ALA 97 -3.935 0.601 -0.887 760 HA ALA 97 HA ALA 97 -1.419 -0.474 0.300 761 1HB ALA 97 1HB ALA 97 -3.534 -2.428 -0.408 762 2HB ALA 97 2HB ALA 97 -3.856 -1.436 1.014 763 3HB ALA 97 3HB ALA 97 -2.404 -2.434 0.945 764 H GLY 98 HN GLY 98 -2.974 0.501 -2.450 765 1HA GLY 98 2HA GLY 98 -1.915 0.404 -4.602 766 2HA GLY 98 1HA GLY 98 -1.110 -1.084 -4.118 767 H GLY 99 HN GLY 99 -3.444 -2.559 -6.376 768 1HA GLY 99 2HA GLY 99 -0.700 -2.208 -5.593 769 2HA GLY 99 1HA GLY 99 -1.265 -2.751 -7.166 770 H ALA 100 HN ALA 100 0.003 -1.492 -8.473 771 HA ALA 100 HA ALA 100 0.676 1.247 -8.019 772 1HB ALA 100 1HB ALA 100 2.081 0.324 -9.591 773 2HB ALA 100 2HB ALA 100 0.929 1.098 -10.679 774 3HB ALA 100 3HB ALA 100 0.796 -0.627 -10.335 775 H GLN 101 HN GLN 101 -1.963 -0.233 -9.897 776 HA GLN 101 HA GLN 101 -2.954 2.113 -11.104 777 1HB GLN 101 2HB GLN 101 -3.974 -0.564 -10.518 778 2HB GLN 101 1HB GLN 101 -5.242 0.661 -10.470 779 1HG GLN 101 2HG GLN 101 -3.263 0.609 -12.739 780 2HG GLN 101 1HG GLN 101 -4.675 -0.448 -12.760 781 1HE2 GLN 101 1HE2 GLN 101 -6.804 0.562 -12.917 782 2HE2 GLN 101 2HE2 GLN 101 -6.980 2.192 -13.353 783 H ILE 102 HN ILE 102 -3.527 0.864 -7.792 784 HA ILE 102 HA ILE 102 -5.469 2.949 -7.221 785 HB ILE 102 HB ILE 102 -3.949 1.172 -5.294 786 1HG1 ILE 102 2HG1 ILE 102 -5.124 -0.141 -7.042 787 2HG1 ILE 102 1HG1 ILE 102 -5.886 -0.339 -5.465 788 1HG2 ILE 102 1HG2 ILE 102 -5.026 2.904 -4.074 789 2HG2 ILE 102 2HG2 ILE 102 -6.131 1.531 -3.986 790 3HG2 ILE 102 3HG2 ILE 102 -6.453 2.853 -5.110 791 1HD1 ILE 102 1HD1 ILE 102 -7.076 1.930 -6.738 792 2HD1 ILE 102 2HD1 ILE 102 -7.836 0.400 -6.307 793 3HD1 ILE 102 3HD1 ILE 102 -7.078 0.594 -7.887 794 H PHE 103 HN PHE 103 -1.959 2.691 -6.959 795 HA PHE 103 HA PHE 103 -1.715 4.859 -5.038 796 1HB PHE 103 2HB PHE 103 0.250 3.526 -6.917 797 2HB PHE 103 1HB PHE 103 0.705 4.857 -5.859 798 HD1 PHE 103 HD1 PHE 103 1.444 1.709 -5.993 799 HD2 PHE 103 HD2 PHE 103 -0.974 4.184 -3.443 800 HE1 PHE 103 HE1 PHE 103 1.773 0.109 -4.127 801 HE2 PHE 103 HE2 PHE 103 -0.648 2.581 -1.581 802 HZ PHE 103 HZ PHE 103 0.726 0.545 -1.921 803 H THR 104 HN THR 104 -2.031 4.623 -8.505 804 HA THR 104 HA THR 104 -1.026 7.314 -9.026 805 HB THR 104 HB THR 104 -2.786 5.759 -10.908 806 HG1 THR 104 HG1 THR 104 -1.332 4.241 -10.330 807 1HG2 THR 104 1HG2 THR 104 -1.675 8.167 -11.197 808 2HG2 THR 104 2HG2 THR 104 -1.785 7.037 -12.547 809 3HG2 THR 104 3HG2 THR 104 -0.275 7.194 -11.649 810 H ALA 105 HN ALA 105 -4.289 5.819 -9.055 811 HA ALA 105 HA ALA 105 -5.703 8.225 -9.619 812 1HB ALA 105 1HB ALA 105 -6.703 5.943 -9.722 813 2HB ALA 105 2HB ALA 105 -7.678 7.066 -8.774 814 3HB ALA 105 3HB ALA 105 -6.664 5.876 -7.959 815 H PHE 106 HN PHE 106 -4.410 6.948 -6.605 816 HA PHE 106 HA PHE 106 -5.726 9.145 -5.087 817 1HB PHE 106 2HB PHE 106 -4.217 6.659 -4.259 818 2HB PHE 106 1HB PHE 106 -4.643 7.926 -3.110 819 HD1 PHE 106 HD1 PHE 106 -6.876 8.178 -2.304 820 HD2 PHE 106 HD2 PHE 106 -6.034 5.464 -5.521 821 HE1 PHE 106 HE1 PHE 106 -9.153 7.223 -2.097 822 HE2 PHE 106 HE2 PHE 106 -8.310 4.510 -5.315 823 HZ PHE 106 HZ PHE 106 -9.870 5.388 -3.601 824 H LYS 107 HN LYS 107 -2.907 8.691 -6.801 825 HA LYS 107 HA LYS 107 -0.903 9.668 -5.060 826 1HB LYS 107 2HB LYS 107 0.458 9.710 -6.898 827 2HB LYS 107 1HB LYS 107 -0.852 8.756 -7.579 828 1HG LYS 107 2HG LYS 107 -0.698 10.319 -9.243 829 2HG LYS 107 1HG LYS 107 -1.765 11.226 -8.177 830 1HD LYS 107 2HD LYS 107 0.038 12.505 -7.289 831 2HD LYS 107 1HD LYS 107 1.243 11.405 -7.959 832 1HE LYS 107 2HE LYS 107 1.272 12.511 -9.920 833 2HE LYS 107 1HE LYS 107 -0.486 12.450 -10.048 834 1HZ LYS 107 1HE LYS 107 -0.476 14.296 -8.339 835 2HZ LYS 107 2HE LYS 107 0.044 14.706 -9.904 836 3HZ LYS 107 3HE LYS 107 1.180 14.463 -8.664 837 H ASP 108 HN ASP 108 -3.289 11.508 -7.000 838 HA ASP 108 HA ASP 108 -2.107 14.074 -6.495 839 1HB ASP 108 2HB ASP 108 -3.976 13.329 -8.186 840 2HB ASP 108 1HB ASP 108 -5.064 13.708 -6.850 841 H ASP 109 HN ASP 109 -4.498 12.146 -4.719 842 HA ASP 109 HA ASP 109 -4.576 14.281 -2.628 843 1HB ASP 109 2HB ASP 109 -6.514 12.223 -3.568 844 2HB ASP 109 1HB ASP 109 -6.512 12.587 -1.843 845 H VAL 110 HN VAL 110 -2.499 13.605 -1.679 846 HA VAL 110 HA VAL 110 -2.691 10.977 -0.264 847 HB VAL 110 HB VAL 110 -0.125 12.445 -0.885 848 1HG1 VAL 110 1HG1 VAL 110 0.913 10.367 -0.356 849 2HG1 VAL 110 2HG1 VAL 110 -0.622 9.503 -0.405 850 3HG1 VAL 110 3HG1 VAL 110 -0.288 10.632 0.904 851 1HG2 VAL 110 1HG2 VAL 110 -0.165 10.328 -2.618 852 2HG2 VAL 110 2HG2 VAL 110 -0.574 11.981 -3.065 853 3HG2 VAL 110 3HG2 VAL 110 -1.854 10.833 -2.661 854 H ASP 111 HN ASP 111 -1.895 10.943 1.909 855 HA ASP 111 HA ASP 111 -1.555 13.626 3.181 856 1HB ASP 111 2HB ASP 111 -3.286 11.302 4.030 857 2HB ASP 111 1HB ASP 111 -2.723 12.497 5.199 858 H THR 112 HN THR 112 -0.844 10.174 3.197 859 HA THR 112 HA THR 112 1.650 10.755 4.706 860 HB THR 112 HB THR 112 -0.135 8.393 5.345 861 HG1 THR 112 HG1 THR 112 -1.140 10.295 5.999 862 1HG2 THR 112 1HG2 THR 112 1.812 9.368 7.314 863 2HG2 THR 112 2HG2 THR 112 2.550 8.784 5.821 864 3HG2 THR 112 3HG2 THR 112 1.499 7.724 6.760 865 H LEU 113 HN LEU 113 3.374 9.407 4.095 866 HA LEU 113 HA LEU 113 2.767 7.421 1.936 867 1HB LEU 113 2HB LEU 113 5.120 9.331 2.057 868 2HB LEU 113 1HB LEU 113 4.897 8.072 0.845 869 HG LEU 113 HG LEU 113 2.743 10.119 1.314 870 1HD1 LEU 113 1HD1 LEU 113 3.906 11.222 -0.779 871 2HD1 LEU 113 2HD1 LEU 113 5.353 10.445 -0.135 872 3HD1 LEU 113 3HD1 LEU 113 4.469 11.615 0.845 873 1HD2 LEU 113 1HD2 LEU 113 3.442 8.026 -0.662 874 2HD2 LEU 113 2HD2 LEU 113 2.846 9.536 -1.352 875 3HD2 LEU 113 3HD2 LEU 113 1.860 8.647 -0.192 876 H LEU 114 HN LEU 114 3.577 5.421 2.342 877 HA LEU 114 HA LEU 114 5.787 5.198 4.338 878 1HB LEU 114 2HB LEU 114 3.447 3.310 3.968 879 2HB LEU 114 1HB LEU 114 4.747 3.126 5.146 880 HG LEU 114 HG LEU 114 3.237 5.703 5.125 881 1HD1 LEU 114 1HD1 LEU 114 1.319 4.383 5.126 882 2HD1 LEU 114 2HD1 LEU 114 1.690 4.445 6.849 883 3HD1 LEU 114 3HD1 LEU 114 2.132 3.024 5.902 884 1HD2 LEU 114 1HD2 LEU 114 4.709 3.951 7.074 885 2HD2 LEU 114 2HD2 LEU 114 3.531 5.117 7.678 886 3HD2 LEU 114 3HD2 LEU 114 4.919 5.670 6.743 887 H VAL 115 HN VAL 115 7.521 4.579 3.200 888 HA VAL 115 HA VAL 115 7.132 2.473 1.102 889 HB VAL 115 HB VAL 115 7.698 4.708 0.149 890 1HG1 VAL 115 1HG1 VAL 115 9.379 4.963 2.274 891 2HG1 VAL 115 2HG1 VAL 115 9.533 5.904 0.791 892 3HG1 VAL 115 3HG1 VAL 115 10.516 4.458 1.025 893 1HG2 VAL 115 1HG2 VAL 115 8.308 2.528 -0.931 894 2HG2 VAL 115 2HG2 VAL 115 9.891 2.635 -0.158 895 3HG2 VAL 115 3HG2 VAL 115 9.408 3.843 -1.350 896 H THR 116 HN THR 116 8.462 0.749 1.116 897 HA THR 116 HA THR 116 10.506 0.610 3.286 898 HB THR 116 HB THR 116 9.371 -1.739 1.760 899 HG1 THR 116 HG1 THR 116 7.900 -1.919 3.510 900 1HG2 THR 116 1HG2 THR 116 10.130 -3.004 3.655 901 2HG2 THR 116 2HG2 THR 116 10.459 -1.535 4.573 902 3HG2 THR 116 3HG2 THR 116 11.455 -1.943 3.177 903 H ARG 117 HN ARG 117 12.468 1.157 2.391 904 HA ARG 117 HA ARG 117 13.047 0.397 -0.404 905 1HB ARG 117 2HB ARG 117 14.800 1.893 1.566 906 2HB ARG 117 1HB ARG 117 15.018 1.794 -0.182 907 1HG ARG 117 2HG ARG 117 12.517 2.731 -0.173 908 2HG ARG 117 1HG ARG 117 13.024 3.364 1.393 909 1HD ARG 117 2HD ARG 117 14.359 3.858 -1.282 910 2HD ARG 117 1HD ARG 117 13.503 5.037 -0.293 911 HE ARG 117 HE ARG 117 15.342 4.997 1.286 912 1HH1 ARG 117 1HH2 ARG 117 15.814 3.020 -1.541 913 2HH1 ARG 117 2HH2 ARG 117 17.524 2.915 -1.315 914 1HH2 ARG 117 1HH1 ARG 117 17.563 4.837 1.560 915 2HH2 ARG 117 2HH1 ARG 117 18.509 3.932 0.426 916 H LEU 118 HN LEU 118 13.772 -1.649 -0.702 917 HA LEU 118 HA LEU 118 15.218 -3.059 1.436 918 1HB LEU 118 2HB LEU 118 14.312 -3.852 -1.342 919 2HB LEU 118 1HB LEU 118 15.299 -4.910 -0.335 920 HG LEU 118 HG LEU 118 13.486 -4.488 1.486 921 1HD1 LEU 118 1HD1 LEU 118 12.284 -2.690 0.400 922 2HD1 LEU 118 2HD1 LEU 118 11.225 -4.098 0.452 923 3HD1 LEU 118 3HD1 LEU 118 12.045 -3.666 -1.049 924 1HD2 LEU 118 1HD2 LEU 118 12.297 -6.060 -0.747 925 2HD2 LEU 118 2HD2 LEU 118 12.595 -6.531 0.928 926 3HD2 LEU 118 3HD2 LEU 118 13.920 -6.528 -0.234 927 H ALA 119 HN ALA 119 17.378 -3.988 1.060 928 HA ALA 119 HA ALA 119 19.111 -2.070 -0.333 929 1HB ALA 119 1HB ALA 119 19.410 -4.088 1.747 930 2HB ALA 119 2HB ALA 119 20.401 -2.668 1.418 931 3HB ALA 119 3HB ALA 119 20.709 -4.177 0.557 932 H GLY 120 HN GLY 120 17.859 -5.311 -0.871 933 1HA GLY 120 2HA GLY 120 19.785 -5.957 -2.959 934 2HA GLY 120 1HA GLY 120 18.307 -6.852 -2.598 935 H SER 121 HN SER 121 18.902 -6.432 -5.245 936 HA SER 121 HA SER 121 16.935 -4.313 -6.016 937 1HB SER 121 2HB SER 121 18.238 -3.802 -7.953 938 2HB SER 121 1HB SER 121 19.373 -3.846 -6.607 939 HG SER 121 HG SER 121 19.737 -6.087 -7.220 940 H PHE 122 HN PHE 122 15.140 -5.255 -6.847 941 HA PHE 122 HA PHE 122 15.449 -7.871 -8.256 942 1HB PHE 122 2HB PHE 122 12.889 -6.759 -7.082 943 2HB PHE 122 1HB PHE 122 13.224 -8.420 -7.572 944 HD1 PHE 122 HD1 PHE 122 14.305 -9.958 -6.090 945 HD2 PHE 122 HD2 PHE 122 14.118 -5.783 -5.113 946 HE1 PHE 122 HE1 PHE 122 15.155 -10.452 -3.811 947 HE2 PHE 122 HE2 PHE 122 14.964 -6.273 -2.834 948 HZ PHE 122 HZ PHE 122 15.483 -8.609 -2.181 949 H GLU 123 HN GLU 123 13.904 -8.174 -10.105 950 HA GLU 123 HA GLU 123 13.459 -5.567 -11.512 951 1HB GLU 123 2HB GLU 123 13.667 -6.930 -13.624 952 2HB GLU 123 1HB GLU 123 15.148 -6.846 -12.669 953 1HG GLU 123 HG2 GLU 123 15.016 -9.055 -12.010 954 2HG GLU 123 HG1 GLU 123 13.255 -9.090 -12.110 955 H GLY 124 HN GLY 124 11.619 -5.597 -13.078 956 1HA GLY 124 2HA GLY 124 9.606 -7.610 -13.092 957 2HA GLY 124 1HA GLY 124 9.184 -6.418 -11.861 958 H ASP 125 HN ASP 125 7.308 -5.770 -13.198 959 HA ASP 125 HA ASP 125 8.122 -3.902 -15.363 960 1HB ASP 125 2HB ASP 125 5.925 -5.986 -15.459 961 2HB ASP 125 1HB ASP 125 5.989 -4.611 -16.563 962 H THR 126 HN THR 126 6.303 -4.618 -12.567 963 HA THR 126 HA THR 126 4.633 -2.163 -12.902 964 HB THR 126 HB THR 126 4.216 -4.126 -10.668 965 HG1 THR 126 HG1 THR 126 3.881 -5.625 -12.082 966 1HG2 THR 126 1HG2 THR 126 2.890 -1.843 -11.751 967 2HG2 THR 126 2HG2 THR 126 2.396 -2.839 -10.382 968 3HG2 THR 126 3HG2 THR 126 1.848 -3.243 -12.009 969 H LYS 127 HN LYS 127 5.480 -0.430 -11.869 970 HA LYS 127 HA LYS 127 7.002 -0.919 -9.343 971 1HB LYS 127 2HB LYS 127 7.685 1.069 -11.529 972 2HB LYS 127 1HB LYS 127 8.529 0.919 -9.987 973 1HG LYS 127 2HG LYS 127 9.660 -0.936 -10.648 974 2HG LYS 127 1HG LYS 127 8.244 -1.627 -11.442 975 1HD LYS 127 2HD LYS 127 8.580 -0.251 -13.397 976 2HD LYS 127 1HD LYS 127 9.854 0.667 -12.592 977 1HE LYS 127 2HE LYS 127 11.100 -1.555 -12.347 978 2HE LYS 127 1HE LYS 127 9.926 -2.222 -13.481 979 1HZ LYS 127 1HE LYS 127 10.809 -1.099 -15.194 980 2HZ LYS 127 2HE LYS 127 12.198 -1.041 -14.218 981 3HZ LYS 127 3HE LYS 127 11.142 0.288 -14.276 982 H MET 128 HN MET 128 7.179 1.129 -8.023 983 HA MET 128 HA MET 128 4.579 2.161 -7.483 984 1HB MET 128 2HB MET 128 6.889 2.080 -6.092 985 2HB MET 128 1HB MET 128 6.923 3.764 -6.621 986 1HG MET 128 2HG MET 128 4.356 2.689 -5.539 987 2HG MET 128 1HG MET 128 5.647 3.048 -4.402 988 1HE MET 128 1HE MET 128 2.899 5.886 -4.416 989 2HE MET 128 2HE MET 128 3.953 5.066 -3.266 990 3HE MET 128 3HE MET 128 2.948 4.119 -4.363 991 H ILE 129 HN ILE 129 3.708 4.229 -7.827 992 HA ILE 129 HA ILE 129 4.390 5.471 -10.356 993 HB ILE 129 HB ILE 129 2.568 7.064 -9.710 994 1HG1 ILE 129 2HG1 ILE 129 1.866 5.490 -7.315 995 2HG1 ILE 129 1HG1 ILE 129 3.323 6.467 -7.137 996 1HG2 ILE 129 1HG2 ILE 129 2.366 4.158 -9.926 997 2HG2 ILE 129 2HG2 ILE 129 1.378 5.407 -10.682 998 3HG2 ILE 129 3HG2 ILE 129 1.004 4.855 -9.050 999 1HD1 ILE 129 1HD1 ILE 129 1.465 7.845 -6.470 1000 2HD1 ILE 129 2HD1 ILE 129 0.561 7.422 -7.923 1001 3HD1 ILE 129 3HD1 ILE 129 2.004 8.427 -8.045 1002 HA PRO 130 HA PRO 130 7.021 8.794 -9.029 1003 1HB PRO 130 2HB PRO 130 5.810 10.919 -10.445 1004 2HB PRO 130 1HB PRO 130 7.095 9.852 -11.027 1005 1HG PRO 130 2HG PRO 130 4.406 9.984 -11.934 1006 2HG PRO 130 1HG PRO 130 5.668 8.856 -12.448 1007 1HD PRO 130 2HD PRO 130 3.400 8.403 -10.655 1008 2HD PRO 130 1HD PRO 130 4.436 7.221 -11.473 1009 H LEU 131 HN LEU 131 6.596 9.180 -6.831 1010 HA LEU 131 HA LEU 131 4.266 10.840 -6.083 1011 1HB LEU 131 2HB LEU 131 6.275 9.174 -4.623 1012 2HB LEU 131 1HB LEU 131 5.491 10.487 -3.745 1013 HG LEU 131 HG LEU 131 3.914 8.479 -5.357 1014 1HD1 LEU 131 1HD1 LEU 131 5.158 7.201 -3.704 1015 2HD1 LEU 131 2HD1 LEU 131 3.487 7.349 -3.162 1016 3HD1 LEU 131 3HD1 LEU 131 4.738 8.359 -2.441 1017 1HD2 LEU 131 1HD2 LEU 131 2.134 9.227 -3.730 1018 2HD2 LEU 131 2HD2 LEU 131 2.714 10.507 -4.796 1019 3HD2 LEU 131 3HD2 LEU 131 3.273 10.430 -3.126 1020 H ASN 132 HN ASN 132 4.573 12.807 -4.786 1021 HA ASN 132 HA ASN 132 6.929 14.336 -5.728 1022 1HB ASN 132 2HB ASN 132 4.295 15.010 -5.598 1023 2HB ASN 132 1HB ASN 132 4.873 15.685 -4.075 1024 1HD2 ASN 132 1HD2 ASN 132 7.088 16.959 -4.380 1025 2HD2 ASN 132 2HD2 ASN 132 7.165 17.966 -5.744 1026 H TRP 133 HN TRP 133 8.173 12.881 -4.096 1027 HA TRP 133 HA TRP 133 7.966 13.079 -1.306 1028 1HB TRP 133 2HB TRP 133 10.559 13.083 -2.883 1029 2HB TRP 133 1HB TRP 133 10.349 12.558 -1.212 1030 HD1 TRP 133 HD1 TRP 133 9.775 11.478 -4.797 1031 HE1 TRP 133 HE1 TRP 133 9.029 9.011 -4.830 1032 HE3 TRP 133 HE3 TRP 133 9.088 10.695 0.202 1033 HZ2 TRP 133 HZ2 TRP 133 8.251 6.979 -2.985 1034 HZ3 TRP 133 HZ3 TRP 133 8.346 8.483 1.036 1035 HH2 TRP 133 HH2 TRP 133 7.927 6.624 -0.549 1036 H ASP 134 HN ASP 134 9.177 15.453 -3.590 1037 HA ASP 134 HA ASP 134 10.527 17.152 -1.717 1038 1HB ASP 134 2HB ASP 134 10.215 17.152 -4.434 1039 2HB ASP 134 1HB ASP 134 9.167 18.494 -3.970 1040 H ASP 135 HN ASP 135 7.138 16.706 -2.458 1041 HA ASP 135 HA ASP 135 6.379 19.190 -1.045 1042 1HB ASP 135 2HB ASP 135 5.053 17.244 -2.829 1043 2HB ASP 135 1HB ASP 135 4.030 17.873 -1.536 1044 H PHE 136 HN PHE 136 7.016 15.952 -0.257 1045 HA PHE 136 HA PHE 136 5.351 16.174 2.224 1046 1HB PHE 136 2HB PHE 136 6.378 13.736 0.747 1047 2HB PHE 136 1HB PHE 136 5.642 13.666 2.347 1048 HD1 PHE 136 HD1 PHE 136 4.957 15.181 -1.023 1049 HD2 PHE 136 HD2 PHE 136 3.362 13.244 2.462 1050 HE1 PHE 136 HE1 PHE 136 2.707 15.160 -2.064 1051 HE2 PHE 136 HE2 PHE 136 1.112 13.223 1.421 1052 HZ PHE 136 HZ PHE 136 0.785 14.181 -0.842 1053 H THR 137 HN THR 137 6.411 15.065 4.164 1054 HA THR 137 HA THR 137 9.385 15.231 4.047 1055 HB THR 137 HB THR 137 7.812 16.306 6.390 1056 HG1 THR 137 HG1 THR 137 7.217 17.571 4.667 1057 1HG2 THR 137 1HG2 THR 137 10.538 17.162 5.464 1058 2HG2 THR 137 2HG2 THR 137 10.351 15.658 6.365 1059 3HG2 THR 137 3HG2 THR 137 9.858 17.188 7.091 1060 H LYS 138 HN LYS 138 10.324 13.474 5.033 1061 HA LYS 138 HA LYS 138 8.660 11.364 6.077 1062 1HB LYS 138 2HB LYS 138 11.129 11.413 4.996 1063 2HB LYS 138 1HB LYS 138 11.569 11.381 6.705 1064 1HG LYS 138 2HG LYS 138 9.557 9.489 6.562 1065 2HG LYS 138 1HG LYS 138 10.408 9.266 5.037 1066 1HD LYS 138 2HD LYS 138 11.988 9.545 7.570 1067 2HD LYS 138 1HD LYS 138 11.234 7.997 7.189 1068 1HE LYS 138 2HE LYS 138 12.996 7.555 5.857 1069 2HE LYS 138 1HE LYS 138 12.430 8.837 4.787 1070 1HZ LYS 138 1HE LYS 138 14.427 9.716 5.265 1071 2HZ LYS 138 2HE LYS 138 14.596 8.852 6.718 1072 3HZ LYS 138 3HE LYS 138 13.652 10.264 6.671 1073 H VAL 139 HN VAL 139 7.790 11.326 8.083 1074 HA VAL 139 HA VAL 139 8.960 13.038 10.198 1075 HB VAL 139 HB VAL 139 6.861 12.457 11.435 1076 1HG1 VAL 139 1HG1 VAL 139 7.230 14.207 9.336 1077 2HG1 VAL 139 2HG1 VAL 139 5.811 14.171 10.382 1078 3HG1 VAL 139 3HG1 VAL 139 5.788 13.323 8.836 1079 1HG2 VAL 139 1HG2 VAL 139 6.778 10.362 9.538 1080 2HG2 VAL 139 2HG2 VAL 139 5.427 11.423 9.140 1081 3HG2 VAL 139 3HG2 VAL 139 5.564 10.739 10.759 1082 H SER 140 HN SER 140 8.623 9.649 9.369 1083 HA SER 140 HA SER 140 10.229 8.987 11.781 1084 1HB SER 140 2HB SER 140 7.459 8.073 11.204 1085 2HB SER 140 1HB SER 140 8.584 6.847 11.782 1086 HG SER 140 HG SER 140 8.804 7.907 13.645 1087 H SER 141 HN SER 141 11.732 7.396 11.376 1088 HA SER 141 HA SER 141 11.404 5.665 9.007 1089 1HB SER 141 2HB SER 141 14.090 6.587 8.907 1090 2HB SER 141 1HB SER 141 12.824 6.823 7.707 1091 HG SER 141 HG SER 141 13.620 8.812 8.463 1092 H ARG 142 HN ARG 142 12.247 3.648 9.402 1093 HA ARG 142 HA ARG 142 14.210 3.366 11.636 1094 1HB ARG 142 2HB ARG 142 11.708 2.688 12.096 1095 2HB ARG 142 1HB ARG 142 12.105 1.280 11.111 1096 1HG ARG 142 2HG ARG 142 13.353 0.350 12.752 1097 2HG ARG 142 1HG ARG 142 14.161 1.876 13.112 1098 1HD ARG 142 2HD ARG 142 12.189 2.624 14.392 1099 2HD ARG 142 1HD ARG 142 11.377 1.101 14.032 1100 HE ARG 142 HE ARG 142 13.868 0.480 15.241 1101 1HH1 ARG 142 1HH2 ARG 142 10.845 2.017 15.975 1102 2HH1 ARG 142 2HH2 ARG 142 10.911 1.611 17.656 1103 1HH2 ARG 142 1HH1 ARG 142 13.945 -0.043 17.428 1104 2HH2 ARG 142 2HH1 ARG 142 12.658 0.451 18.476 1105 H THR 143 HN THR 143 15.983 2.117 11.018 1106 HA THR 143 HA THR 143 15.723 0.648 8.428 1107 HB THR 143 HB THR 143 18.295 1.607 9.701 1108 HG1 THR 143 HG1 THR 143 17.463 3.497 9.253 1109 1HG2 THR 143 1HG2 THR 143 19.091 0.301 8.033 1110 2HG2 THR 143 2HG2 THR 143 18.554 1.589 6.954 1111 3HG2 THR 143 3HG2 THR 143 17.516 0.194 7.248 1112 H VAL 144 HN VAL 144 16.203 -1.523 8.415 1113 HA VAL 144 HA VAL 144 17.409 -2.681 10.890 1114 HB VAL 144 HB VAL 144 14.963 -3.040 10.920 1115 1HG1 VAL 144 1HG1 VAL 144 15.286 -4.715 8.432 1116 2HG1 VAL 144 2HG1 VAL 144 14.879 -3.002 8.329 1117 3HG1 VAL 144 3HG1 VAL 144 13.800 -4.116 9.170 1118 1HG2 VAL 144 1HG2 VAL 144 15.022 -5.402 11.327 1119 2HG2 VAL 144 2HG2 VAL 144 16.630 -4.796 11.725 1120 3HG2 VAL 144 3HG2 VAL 144 16.355 -5.630 10.196 1121 H GLU 145 HN GLU 145 19.069 -4.073 10.457 1122 HA GLU 145 HA GLU 145 19.484 -4.866 7.606 1123 1HB GLU 145 2HB GLU 145 21.461 -4.662 9.900 1124 2HB GLU 145 1HB GLU 145 21.862 -5.191 8.266 1125 1HG GLU 145 HG2 GLU 145 21.290 -3.041 7.345 1126 2HG GLU 145 HG1 GLU 145 20.604 -2.505 8.879 1127 H ASP 146 HN ASP 146 18.773 -6.929 7.264 1128 HA ASP 146 HA ASP 146 18.724 -8.844 9.497 1129 1HB ASP 146 2HB ASP 146 17.001 -8.423 7.470 1130 2HB ASP 146 1HB ASP 146 17.995 -9.680 6.733 1131 H THR 147 HN THR 147 19.313 -11.179 8.777 1132 HA THR 147 HA THR 147 22.149 -11.315 8.415 1133 HB THR 147 HB THR 147 21.614 -13.813 7.955 1134 HG1 THR 147 HG1 THR 147 19.584 -14.078 7.519 1135 1HG2 THR 147 1HG2 THR 147 22.228 -13.663 10.132 1136 2HG2 THR 147 2HG2 THR 147 20.499 -13.752 10.469 1137 3HG2 THR 147 3HG2 THR 147 21.302 -12.184 10.384 1138 H ASN 148 HN ASN 148 19.492 -11.305 6.162 1139 HA ASN 148 HA ASN 148 21.281 -12.091 3.929 1140 1HB ASN 148 2HB ASN 148 18.400 -12.151 4.424 1141 2HB ASN 148 1HB ASN 148 18.796 -11.469 2.847 1142 1HD2 ASN 148 1HD2 ASN 148 19.935 -12.850 1.302 1143 2HD2 ASN 148 2HD2 ASN 148 20.018 -14.531 1.520 1144 HA PRO 149 HA PRO 149 22.374 -7.779 3.274 1145 1HB PRO 149 2HB PRO 149 22.966 -8.542 0.528 1146 2HB PRO 149 1HB PRO 149 24.077 -8.027 1.803 1147 1HG PRO 149 2HG PRO 149 23.635 -10.668 0.806 1148 2HG PRO 149 1HG PRO 149 24.753 -10.148 2.074 1149 1HD PRO 149 2HD PRO 149 22.431 -11.699 2.424 1150 2HD PRO 149 1HD PRO 149 23.398 -10.944 3.700 1151 H ALA 150 HN ALA 150 20.437 -9.677 0.978 1152 HA ALA 150 HA ALA 150 19.322 -7.308 -0.299 1153 1HB ALA 150 1HB ALA 150 18.959 -10.258 -0.531 1154 2HB ALA 150 2HB ALA 150 19.248 -9.058 -1.791 1155 3HB ALA 150 3HB ALA 150 17.638 -9.234 -1.092 1156 H LEU 151 HN LEU 151 18.214 -9.582 2.227 1157 HA LEU 151 HA LEU 151 15.546 -8.508 2.324 1158 1HB LEU 151 2HB LEU 151 17.089 -9.972 4.483 1159 2HB LEU 151 1HB LEU 151 15.340 -9.747 4.426 1160 HG LEU 151 HG LEU 151 16.985 -11.222 2.347 1161 1HD1 LEU 151 1HD1 LEU 151 16.635 -13.110 3.528 1162 2HD1 LEU 151 2HD1 LEU 151 14.932 -12.721 3.769 1163 3HD1 LEU 151 3HD1 LEU 151 16.148 -12.078 4.872 1164 1HD2 LEU 151 1HD2 LEU 151 15.168 -11.118 1.017 1165 2HD2 LEU 151 2HD2 LEU 151 14.431 -10.005 2.166 1166 3HD2 LEU 151 3HD2 LEU 151 14.143 -11.738 2.309 1167 H THR 152 HN THR 152 18.402 -6.986 3.101 1168 HA THR 152 HA THR 152 17.621 -5.673 5.567 1169 HB THR 152 HB THR 152 19.607 -4.840 3.423 1170 HG1 THR 152 HG1 THR 152 20.978 -6.073 4.443 1171 1HG2 THR 152 1HG2 THR 152 20.217 -3.900 6.065 1172 2HG2 THR 152 2HG2 THR 152 18.585 -3.390 5.638 1173 3HG2 THR 152 3HG2 THR 152 19.945 -2.958 4.602 1174 H HIS 153 HN HIS 153 16.576 -3.612 5.756 1175 HA HIS 153 HA HIS 153 15.955 -2.041 3.394 1176 1HB HIS 153 2HB HIS 153 13.474 -2.391 3.522 1177 2HB HIS 153 1HB HIS 153 14.364 -3.814 2.982 1178 HD1 HIS 153 HD1 HIS 153 14.972 -5.568 5.017 1179 HD2 HIS 153 HD2 HIS 153 11.842 -2.900 5.700 1180 HE1 HIS 153 HE1 HIS 153 13.630 -6.516 6.946 1181 H THR 154 HN THR 154 14.337 -0.274 3.949 1182 HA THR 154 HA THR 154 14.381 0.393 6.858 1183 HB THR 154 HB THR 154 14.886 2.423 4.670 1184 HG1 THR 154 HG1 THR 154 17.095 2.228 5.397 1185 1HG2 THR 154 1HG2 THR 154 15.830 3.694 6.614 1186 2HG2 THR 154 2HG2 THR 154 15.275 2.397 7.671 1187 3HG2 THR 154 3HG2 THR 154 14.106 3.356 6.767 1188 H TYR 155 HN TYR 155 12.639 1.868 7.476 1189 HA TYR 155 HA TYR 155 10.364 1.835 5.525 1190 1HB TYR 155 2HB TYR 155 10.342 1.929 8.560 1191 2HB TYR 155 1HB TYR 155 8.906 2.013 7.542 1192 HD1 TYR 155 HD1 TYR 155 8.490 0.060 5.901 1193 HD2 TYR 155 HD2 TYR 155 11.233 -0.149 9.199 1194 HE1 TYR 155 HE1 TYR 155 8.400 -2.417 5.820 1195 HE2 TYR 155 HE2 TYR 155 11.145 -2.625 9.116 1196 HH TYR 155 HH TYR 155 9.311 -4.367 8.233 1197 H GLU 156 HN GLU 156 9.673 3.851 4.826 1198 HA GLU 156 HA GLU 156 10.553 6.201 6.456 1199 1HB GLU 156 2HB GLU 156 10.023 6.229 3.479 1200 2HB GLU 156 1HB GLU 156 10.823 7.465 4.444 1201 1HG GLU 156 HG2 GLU 156 12.575 5.683 5.008 1202 2HG GLU 156 HG1 GLU 156 11.861 4.724 3.710 1203 H VAL 157 HN VAL 157 8.915 7.377 7.278 1204 HA VAL 157 HA VAL 157 6.194 7.082 6.056 1205 HB VAL 157 HB VAL 157 6.852 7.973 8.879 1206 1HG1 VAL 157 1HG1 VAL 157 4.426 7.764 7.269 1207 2HG1 VAL 157 2HG1 VAL 157 4.667 8.543 8.832 1208 3HG1 VAL 157 3HG1 VAL 157 4.312 6.817 8.753 1209 1HG2 VAL 157 1HG2 VAL 157 5.748 5.507 9.166 1210 2HG2 VAL 157 2HG2 VAL 157 7.488 5.786 9.118 1211 3HG2 VAL 157 3HG2 VAL 157 6.637 5.274 7.661 1212 H TRP 158 HN TRP 158 5.401 8.929 5.088 1213 HA TRP 158 HA TRP 158 6.690 11.516 5.868 1214 1HB TRP 158 2HB TRP 158 5.511 10.764 3.180 1215 2HB TRP 158 1HB TRP 158 6.296 12.288 3.579 1216 HD1 TRP 158 HD1 TRP 158 7.214 8.522 3.749 1217 HE1 TRP 158 HE1 TRP 158 9.682 8.279 3.041 1218 HE3 TRP 158 HE3 TRP 158 8.392 13.421 2.957 1219 HZ2 TRP 158 HZ2 TRP 158 11.869 9.947 2.247 1220 HZ3 TRP 158 HZ3 TRP 158 10.667 14.071 2.226 1221 HH2 TRP 158 HH2 TRP 158 12.407 12.341 1.870 1222 H GLN 159 HN GLN 159 5.267 13.429 5.429 1223 HA GLN 159 HA GLN 159 2.355 12.856 5.638 1224 1HB GLN 159 2HB GLN 159 4.062 14.388 7.595 1225 2HB GLN 159 1HB GLN 159 2.372 14.837 7.363 1226 1HG GLN 159 2HG GLN 159 1.903 12.289 7.686 1227 2HG GLN 159 1HG GLN 159 3.509 12.256 8.415 1228 1HE2 GLN 159 1HE2 GLN 159 3.230 12.308 10.653 1229 2HE2 GLN 159 2HE2 GLN 159 2.167 13.344 11.475 1230 H LYS 160 HN LYS 160 1.084 14.570 4.626 1231 HA LYS 160 HA LYS 160 2.659 16.256 2.823 1232 1HB LYS 160 2HB LYS 160 0.425 14.995 2.332 1233 2HB LYS 160 1HB LYS 160 -0.332 16.375 3.128 1234 1HG LYS 160 2HG LYS 160 0.913 17.887 1.557 1235 2HG LYS 160 1HG LYS 160 1.478 16.452 0.699 1236 1HD LYS 160 2HD LYS 160 -0.567 16.041 -0.239 1237 2HD LYS 160 1HD LYS 160 -1.445 16.594 1.188 1238 1HE LYS 160 2HE LYS 160 -0.616 18.959 0.529 1239 2HE LYS 160 1HE LYS 160 -0.262 18.242 -1.043 1240 1HZ LYS 160 1HE LYS 160 -2.595 19.282 -0.513 1241 2HZ LYS 160 2HE LYS 160 -2.892 17.743 0.142 1242 3HZ LYS 160 3HE LYS 160 -2.451 17.903 -1.491 1243 H LYS 161 HN LYS 161 2.985 18.429 3.053 1244 HA LYS 161 HA LYS 161 2.289 19.676 5.603 1245 1HB LYS 161 2HB LYS 161 3.635 20.821 3.135 1246 2HB LYS 161 1HB LYS 161 3.531 21.620 4.705 1247 1HG LYS 161 2HG LYS 161 4.572 19.276 5.507 1248 2HG LYS 161 1HG LYS 161 5.210 19.308 3.862 1249 1HD LYS 161 2HD LYS 161 6.563 21.113 4.274 1250 2HD LYS 161 1HD LYS 161 5.425 21.837 5.411 1251 1HE LYS 161 2HE LYS 161 6.116 19.578 6.768 1252 2HE LYS 161 1HE LYS 161 7.618 19.911 5.905 1253 1HZ LYS 161 1HE LYS 161 7.367 21.016 8.127 1254 2HZ LYS 161 2HE LYS 161 6.151 21.980 7.436 1255 3HZ LYS 161 3HE LYS 161 7.740 22.054 6.839 1256 H ALA 162 HN ALA 162 1.116 21.723 5.735 1257 HA ALA 162 HA ALA 162 -0.866 22.091 3.521 1258 1HB ALA 162 1HB ALA 162 -2.265 22.930 5.690 1259 2HB ALA 162 2HB ALA 162 -1.282 21.665 6.427 1260 3HB ALA 162 3HB ALA 162 -2.341 21.281 5.070 1261 AH51 NDP 168 AH51 NDP 168 -6.222 -2.377 -8.497 1262 AH52 NDP 168 AH52 NDP 168 -5.846 -0.941 -9.463 1263 AH4* NDP 168 AH4* NDP 168 -7.558 -3.276 -10.425 1264 AH3* NDP 168 AH3* NDP 168 -6.857 -0.631 -11.715 1265 AHO3 NDP 168 AHO3 NDP 168 -5.831 -2.561 -12.460 1266 AH2* NDP 168 AH2* NDP 168 -9.057 -0.641 -12.672 1267 AH1* NDP 168 AH1* NDP 168 -10.366 -1.390 -10.358 1268 AH8 NDP 168 AH8 NDP 168 -7.307 0.985 -10.444 1269 AH61 NDP 168 AH61 NDP 168 -9.826 5.086 -9.657 1270 AH62 NDP 168 AH62 NDP 168 -11.532 5.430 -9.485 1271 AH2 NDP 168 AH2 NDP 168 -13.691 1.510 -9.816 1272 NH51 NDP 168 NH51 NDP 168 -1.474 -5.080 -9.564 1273 NH52 NDP 168 NH52 NDP 168 -1.402 -4.147 -8.065 1274 NH4* NDP 168 NH4* NDP 168 0.897 -5.659 -9.390 1275 NH3* NDP 168 NH3* NDP 168 -0.657 -6.234 -6.855 1276 NHO3 NDP 168 NHO3 NDP 168 -0.673 -8.261 -7.779 1277 NH2* NDP 168 NH2* NDP 168 1.372 -7.175 -5.980 1278 NHO2 NDP 168 NHO2 NDP 168 2.986 -7.893 -7.180 1279 NH1* NDP 168 NH1* NDP 168 3.033 -5.161 -6.939 1280 NH2 NDP 168 NH2 NDP 168 3.526 -3.773 -5.050 1281 NH71 NDP 168 NH71 NDP 168 4.915 -3.131 -4.298 1282 NH72 NDP 168 NH72 NDP 168 5.287 -2.005 -3.016 1283 NH41 NDP 168 NH41 NDP 168 0.405 -2.663 -2.845 1284 NH42 NDP 168 NH42 NDP 168 0.958 -4.167 -2.033 1285 NH5 NDP 168 NH5 NDP 168 -1.095 -4.567 -3.377 1286 NH6 NDP 168 NH6 NDP 168 -0.409 -5.593 -5.597 1287 H1 TRR 170 H1 TRR 170 5.214 -5.211 1.646 1288 1H2 TRR 170 1H2 TRR 170 5.504 -1.851 2.784 1289 2H2 TRR 170 2H2 TRR 170 6.342 -3.325 2.580 1290 1H4 TRR 170 1H4 TRR 170 0.910 -1.517 1.494 1291 2H4 TRR 170 2H4 TRR 170 0.107 -2.857 0.829 1292 H6 TRR 170 H6 TRR 170 3.282 -6.318 0.716 1293 1H7 TRR 170 1H7 TRR 170 0.660 -4.725 -0.649 1294 2H7 TRR 170 2H7 TRR 170 -0.002 -4.890 0.976 1295 H12 TRR 170 H12 TRR 170 1.610 -6.608 -1.815 1296 H16 TRR 170 H16 TRR 170 0.226 -6.972 2.250 1297 1H17 TRR 170 1H17 TRR 170 1.304 -7.907 -3.743 1298 2H17 TRR 170 2H17 TRR 170 2.605 -9.018 -4.145 1299 3H17 TRR 170 3H17 TRR 170 2.903 -7.675 -3.052 1300 1H18 TRR 170 1H18 TRR 170 2.244 -11.719 1.387 1301 2H18 TRR 170 2H18 TRR 170 3.150 -10.778 0.211 1302 3H18 TRR 170 3H18 TRR 170 2.476 -12.336 -0.242 1303 1H19 TRR 170 1H19 TRR 170 -1.110 -8.527 3.371 1304 2H19 TRR 170 2H19 TRR 170 0.567 -8.285 3.837 1305 3H19 TRR 170 3H19 TRR 170 -0.268 -9.761 4.297 Start of MODEL 21 1 1H THR 1 1H THR 1 -4.704 10.614 4.798 2 2H THR 1 2H THR 1 -6.346 10.330 4.470 3 3H THR 1 3H THR 1 -5.421 11.293 3.420 4 HA THR 1 HA THR 1 -5.521 8.388 3.692 5 HB THR 1 HB THR 1 -4.836 10.081 1.290 6 HG1 THR 1 HG1 THR 1 -7.421 9.302 2.148 7 1HG2 THR 1 1HG2 THR 1 -4.511 7.802 0.812 8 2HG2 THR 1 2HG2 THR 1 -6.156 8.099 0.248 9 3HG2 THR 1 3HG2 THR 1 -5.885 7.306 1.800 10 H ALA 2 HN ALA 2 -3.692 7.077 3.382 11 HA ALA 2 HA ALA 2 -1.074 8.502 3.156 12 1HB ALA 2 1HB ALA 2 -0.139 7.294 4.939 13 2HB ALA 2 2HB ALA 2 -1.396 6.059 4.885 14 3HB ALA 2 3HB ALA 2 -1.760 7.660 5.528 15 H PHE 3 HN PHE 3 0.633 7.212 2.212 16 HA PHE 3 HA PHE 3 -0.402 5.013 0.476 17 1HB PHE 3 2HB PHE 3 1.840 6.994 0.251 18 2HB PHE 3 1HB PHE 3 1.975 5.455 -0.590 19 HD1 PHE 3 HD1 PHE 3 -1.267 7.157 -0.014 20 HD2 PHE 3 HD2 PHE 3 1.889 6.370 -2.805 21 HE1 PHE 3 HE1 PHE 3 -2.668 8.042 -1.853 22 HE2 PHE 3 HE2 PHE 3 0.488 7.251 -4.646 23 HZ PHE 3 HZ PHE 3 -1.792 8.090 -4.169 24 H LEU 4 HN LEU 4 0.418 2.916 0.789 25 HA LEU 4 HA LEU 4 2.810 2.679 2.565 26 1HB LEU 4 2HB LEU 4 0.857 2.214 3.938 27 2HB LEU 4 1HB LEU 4 0.213 1.120 2.717 28 HG LEU 4 HG LEU 4 2.126 -0.393 3.040 29 1HD1 LEU 4 1HD1 LEU 4 3.064 1.892 4.700 30 2HD1 LEU 4 2HD1 LEU 4 3.995 0.764 3.716 31 3HD1 LEU 4 3HD1 LEU 4 3.416 0.277 5.310 32 1HD2 LEU 4 1HD2 LEU 4 0.183 -0.802 4.427 33 2HD2 LEU 4 2HD2 LEU 4 0.675 0.453 5.564 34 3HD2 LEU 4 3HD2 LEU 4 1.615 -1.031 5.428 35 H TRP 5 HN TRP 5 4.181 2.132 0.792 36 HA TRP 5 HA TRP 5 3.602 -0.546 -0.377 37 1HB TRP 5 2HB TRP 5 4.154 0.150 -2.595 38 2HB TRP 5 1HB TRP 5 2.995 1.328 -1.987 39 HD1 TRP 5 HD1 TRP 5 6.392 1.048 -3.442 40 HE1 TRP 5 HE1 TRP 5 7.583 3.337 -3.389 41 HE3 TRP 5 HE3 TRP 5 3.250 3.604 -0.333 42 HZ2 TRP 5 HZ2 TRP 5 7.241 5.911 -2.187 43 HZ3 TRP 5 HZ3 TRP 5 3.708 5.966 0.251 44 HH2 TRP 5 HH2 TRP 5 5.695 7.123 -0.672 45 H ALA 6 HN ALA 6 5.390 -1.872 -0.501 46 HA ALA 6 HA ALA 6 7.938 -0.762 0.539 47 1HB ALA 6 1HB ALA 6 6.927 -3.587 0.114 48 2HB ALA 6 2HB ALA 6 7.209 -2.776 1.655 49 3HB ALA 6 3HB ALA 6 8.573 -3.218 0.628 50 H GLN 7 HN GLN 7 9.558 -0.304 -0.903 51 HA GLN 7 HA GLN 7 9.431 -1.657 -3.566 52 1HB GLN 7 2HB GLN 7 10.329 0.433 -4.550 53 2HB GLN 7 1HB GLN 7 8.767 0.698 -3.778 54 1HG GLN 7 2HG GLN 7 9.735 1.760 -1.908 55 2HG GLN 7 1HG GLN 7 11.338 1.123 -2.260 56 1HE2 GLN 7 1HE2 GLN 7 12.715 2.456 -3.466 57 2HE2 GLN 7 2HE2 GLN 7 12.220 3.853 -4.294 58 H ASP 8 HN ASP 8 11.510 -1.978 -4.608 59 HA ASP 8 HA ASP 8 13.617 -2.590 -2.662 60 1HB ASP 8 2HB ASP 8 14.816 -3.488 -4.675 61 2HB ASP 8 1HB ASP 8 13.215 -4.186 -4.447 62 H ARG 9 HN ARG 9 15.946 -2.056 -4.110 63 HA ARG 9 HA ARG 9 16.450 0.654 -3.456 64 1HB ARG 9 2HB ARG 9 18.534 0.355 -4.831 65 2HB ARG 9 1HB ARG 9 18.279 -0.913 -3.634 66 1HG ARG 9 2HG ARG 9 18.613 -2.326 -5.384 67 2HG ARG 9 1HG ARG 9 16.942 -1.945 -5.791 68 1HD ARG 9 2HD ARG 9 18.389 -1.633 -7.753 69 2HD ARG 9 1HD ARG 9 17.725 -0.092 -7.234 70 HE ARG 9 HE ARG 9 19.900 0.474 -6.275 71 1HH1 ARG 9 1HH1 ARG 9 19.782 -2.446 -8.168 72 2HH1 ARG 9 2HH1 ARG 9 21.490 -2.477 -8.426 73 1HH2 ARG 9 1HH2 ARG 9 22.113 0.410 -6.626 74 2HH2 ARG 9 2HH2 ARG 9 22.802 -0.875 -7.562 75 H ASP 10 HN ASP 10 15.682 -0.812 -6.625 76 HA ASP 10 HA ASP 10 15.922 1.701 -8.049 77 1HB ASP 10 2HB ASP 10 14.945 -1.049 -8.684 78 2HB ASP 10 1HB ASP 10 14.425 0.270 -9.733 79 H GLY 11 HN GLY 11 13.366 0.101 -6.309 80 1HA GLY 11 2HA GLY 11 11.517 1.479 -5.446 81 2HA GLY 11 1HA GLY 11 11.603 2.434 -6.924 82 H LEU 12 HN LEU 12 11.616 -1.109 -6.659 83 HA LEU 12 HA LEU 12 9.456 -1.278 -8.638 84 1HB LEU 12 2HB LEU 12 11.505 -2.870 -8.323 85 2HB LEU 12 1HB LEU 12 10.532 -3.601 -7.047 86 HG LEU 12 HG LEU 12 8.668 -3.836 -8.742 87 1HD1 LEU 12 1HD1 LEU 12 9.067 -2.432 -10.516 88 2HD1 LEU 12 2HD1 LEU 12 9.843 -3.882 -11.154 89 3HD1 LEU 12 3HD1 LEU 12 10.817 -2.615 -10.406 90 1HD2 LEU 12 1HD2 LEU 12 9.444 -5.918 -9.346 91 2HD2 LEU 12 2HD2 LEU 12 10.665 -5.524 -8.135 92 3HD2 LEU 12 3HD2 LEU 12 11.017 -5.299 -9.848 93 H ILE 13 HN ILE 13 7.452 -2.631 -8.112 94 HA ILE 13 HA ILE 13 6.767 -2.506 -5.219 95 HB ILE 13 HB ILE 13 4.431 -1.804 -5.925 96 1HG1 ILE 13 2HG1 ILE 13 5.588 -0.605 -8.386 97 2HG1 ILE 13 1HG1 ILE 13 5.258 -2.337 -8.445 98 1HG2 ILE 13 1HG2 ILE 13 6.210 0.416 -6.747 99 2HG2 ILE 13 2HG2 ILE 13 6.596 -0.338 -5.199 100 3HG2 ILE 13 3HG2 ILE 13 4.996 0.353 -5.469 101 1HD1 ILE 13 1HD1 ILE 13 3.192 -1.496 -9.095 102 2HD1 ILE 13 2HD1 ILE 13 3.345 -0.057 -8.086 103 3HD1 ILE 13 3HD1 ILE 13 2.959 -1.613 -7.351 104 H GLY 14 HN GLY 14 6.695 -4.230 -8.208 105 1HA GLY 14 2HA GLY 14 6.112 -6.717 -7.215 106 2HA GLY 14 1HA GLY 14 4.507 -6.019 -7.410 107 H LYS 15 HN LYS 15 6.304 -8.148 -8.897 108 HA LYS 15 HA LYS 15 5.723 -7.094 -11.636 109 1HB LYS 15 2HB LYS 15 8.156 -7.478 -11.113 110 2HB LYS 15 1HB LYS 15 7.783 -9.185 -10.876 111 1HG LYS 15 2HG LYS 15 6.612 -8.759 -13.297 112 2HG LYS 15 1HG LYS 15 7.958 -7.622 -13.387 113 1HD LYS 15 2HD LYS 15 9.322 -9.695 -12.430 114 2HD LYS 15 1HD LYS 15 8.009 -10.607 -13.174 115 1HE LYS 15 2HE LYS 15 8.469 -9.697 -15.334 116 2HE LYS 15 1HE LYS 15 9.538 -8.465 -14.666 117 1HZ LYS 15 1HE LYS 15 11.212 -9.865 -14.937 118 2HZ LYS 15 2HE LYS 15 10.165 -11.088 -15.480 119 3HZ LYS 15 3HE LYS 15 10.506 -10.931 -13.823 120 H ASP 16 HN ASP 16 4.209 -8.218 -12.755 121 HA ASP 16 HA ASP 16 2.745 -9.911 -13.381 122 1HB ASP 16 2HB ASP 16 4.933 -11.588 -12.135 123 2HB ASP 16 1HB ASP 16 3.538 -12.275 -12.966 124 H GLY 17 HN GLY 17 2.180 -8.583 -10.866 125 1HA GLY 17 2HA GLY 17 0.370 -8.961 -9.374 126 2HA GLY 17 1HA GLY 17 0.472 -10.684 -9.718 127 H HIS 18 HN HIS 18 2.264 -11.881 -8.686 128 HA HIS 18 HA HIS 18 2.479 -11.256 -5.897 129 1HB HIS 18 2HB HIS 18 4.119 -13.148 -5.857 130 2HB HIS 18 1HB HIS 18 2.605 -13.559 -6.662 131 HD1 HIS 18 HD1 HIS 18 6.123 -12.395 -7.541 132 HD2 HIS 18 HD2 HIS 18 2.927 -14.430 -9.279 133 HE1 HIS 18 HE1 HIS 18 6.933 -13.205 -9.800 134 H LEU 19 HN LEU 19 4.167 -10.377 -4.707 135 HA LEU 19 HA LEU 19 5.793 -8.377 -5.829 136 1HB LEU 19 2HB LEU 19 6.058 -9.996 -3.292 137 2HB LEU 19 1HB LEU 19 7.216 -8.730 -3.704 138 HG LEU 19 HG LEU 19 4.296 -8.093 -3.860 139 1HD1 LEU 19 1HD1 LEU 19 4.220 -8.990 -1.701 140 2HD1 LEU 19 2HD1 LEU 19 4.643 -7.307 -1.384 141 3HD1 LEU 19 3HD1 LEU 19 5.893 -8.552 -1.354 142 1HD2 LEU 19 1HD2 LEU 19 5.040 -5.926 -3.791 143 2HD2 LEU 19 2HD2 LEU 19 6.543 -6.660 -4.349 144 3HD2 LEU 19 3HD2 LEU 19 6.322 -6.296 -2.637 145 HA PRO 20 HA PRO 20 9.281 -10.476 -7.588 146 1HB PRO 20 2HB PRO 20 11.198 -8.503 -7.065 147 2HB PRO 20 1HB PRO 20 10.086 -8.534 -8.442 148 1HG PRO 20 2HG PRO 20 10.120 -6.691 -6.271 149 2HG PRO 20 1HG PRO 20 8.965 -6.771 -7.608 150 1HD PRO 20 2HD PRO 20 8.669 -7.713 -4.831 151 2HD PRO 20 1HD PRO 20 7.422 -7.335 -6.032 152 H TRP 21 HN TRP 21 9.645 -9.327 -4.269 153 HA TRP 21 HA TRP 21 11.907 -11.244 -3.910 154 1HB TRP 21 2HB TRP 21 12.416 -9.880 -1.856 155 2HB TRP 21 1HB TRP 21 12.546 -8.967 -3.357 156 HD1 TRP 21 HD1 TRP 21 10.119 -9.519 -0.419 157 HE1 TRP 21 HE1 TRP 21 8.588 -7.450 -0.242 158 HE3 TRP 21 HE3 TRP 21 11.660 -6.926 -4.540 159 HZ2 TRP 21 HZ2 TRP 21 8.092 -5.013 -1.659 160 HZ3 TRP 21 HZ3 TRP 21 10.648 -4.735 -5.100 161 HH2 TRP 21 HH2 TRP 21 8.867 -3.776 -3.666 162 H HIS 22 HN HIS 22 11.660 -11.260 -1.036 163 HA HIS 22 HA HIS 22 8.968 -12.258 -0.421 164 1HB HIS 22 2HB HIS 22 10.193 -14.205 -1.485 165 2HB HIS 22 1HB HIS 22 11.339 -14.127 -0.146 166 HD1 HIS 22 HD1 HIS 22 10.616 -15.108 2.082 167 HD2 HIS 22 HD2 HIS 22 7.480 -14.892 -0.657 168 HE1 HIS 22 HE1 HIS 22 8.672 -16.359 3.118 169 H LEU 23 HN LEU 23 8.890 -10.744 1.256 170 HA LEU 23 HA LEU 23 10.843 -11.197 3.473 171 1HB LEU 23 2HB LEU 23 11.184 -9.026 2.178 172 2HB LEU 23 1HB LEU 23 9.614 -8.516 2.799 173 HG LEU 23 HG LEU 23 10.547 -9.101 5.130 174 1HD1 LEU 23 1HD1 LEU 23 13.130 -8.901 3.554 175 2HD1 LEU 23 2HD1 LEU 23 12.499 -10.371 4.296 176 3HD1 LEU 23 3HD1 LEU 23 13.000 -9.018 5.309 177 1HD2 LEU 23 1HD2 LEU 23 10.588 -6.845 5.206 178 2HD2 LEU 23 2HD2 LEU 23 10.822 -6.765 3.459 179 3HD2 LEU 23 3HD2 LEU 23 12.216 -6.877 4.532 180 HA PRO 24 HA PRO 24 6.749 -12.092 5.287 181 1HB PRO 24 2HB PRO 24 8.118 -13.173 7.556 182 2HB PRO 24 1HB PRO 24 7.253 -14.052 6.290 183 1HG PRO 24 2HG PRO 24 10.061 -13.939 6.732 184 2HG PRO 24 1HG PRO 24 9.194 -14.775 5.437 185 1HD PRO 24 2HD PRO 24 10.774 -12.371 5.268 186 2HD PRO 24 1HD PRO 24 9.988 -13.268 3.961 187 H ASP 25 HN ASP 25 9.602 -10.610 6.743 188 HA ASP 25 HA ASP 25 8.259 -9.494 9.035 189 1HB ASP 25 2HB ASP 25 10.837 -9.759 8.445 190 2HB ASP 25 1HB ASP 25 10.623 -8.128 7.809 191 H ASP 26 HN ASP 26 8.515 -8.524 5.682 192 HA ASP 26 HA ASP 26 7.716 -5.759 6.176 193 1HB ASP 26 2HB ASP 26 8.999 -6.203 4.182 194 2HB ASP 26 1HB ASP 26 7.858 -7.437 3.655 195 H LEU 27 HN LEU 27 6.081 -8.779 5.216 196 HA LEU 27 HA LEU 27 3.525 -7.714 4.631 197 1HB LEU 27 2HB LEU 27 4.274 -10.335 5.966 198 2HB LEU 27 1HB LEU 27 2.662 -9.956 5.360 199 HG LEU 27 HG LEU 27 5.087 -9.736 3.580 200 1HD1 LEU 27 1HD1 LEU 27 3.319 -12.181 3.838 201 2HD1 LEU 27 2HD1 LEU 27 4.893 -12.046 4.622 202 3HD1 LEU 27 3HD1 LEU 27 4.778 -12.008 2.863 203 1HD2 LEU 27 1HD2 LEU 27 2.302 -10.516 2.769 204 2HD2 LEU 27 2HD2 LEU 27 3.529 -9.651 1.845 205 3HD2 LEU 27 3HD2 LEU 27 2.648 -8.825 3.129 206 H HIS 28 HN HIS 28 4.852 -8.823 7.761 207 HA HIS 28 HA HIS 28 2.584 -8.181 9.353 208 1HB HIS 28 2HB HIS 28 5.539 -8.165 10.040 209 2HB HIS 28 1HB HIS 28 4.250 -8.014 11.234 210 HD1 HIS 28 HD1 HIS 28 2.256 -10.082 10.124 211 HD2 HIS 28 HD2 HIS 28 6.349 -10.794 10.477 212 HE1 HIS 28 HE1 HIS 28 2.541 -12.597 10.208 213 H TYR 29 HN TYR 29 5.278 -6.206 8.189 214 HA TYR 29 HA TYR 29 4.658 -3.846 9.715 215 1HB TYR 29 2HB TYR 29 6.812 -4.262 8.451 216 2HB TYR 29 1HB TYR 29 5.920 -3.967 6.959 217 HD1 TYR 29 HD1 TYR 29 6.702 -2.424 10.277 218 HD2 TYR 29 HD2 TYR 29 5.618 -1.772 6.172 219 HE1 TYR 29 HE1 TYR 29 6.985 0.020 10.591 220 HE2 TYR 29 HE2 TYR 29 5.901 0.672 6.486 221 HH TYR 29 HH TYR 29 7.070 2.212 7.961 222 H PHE 30 HN PHE 30 3.609 -5.103 6.591 223 HA PHE 30 HA PHE 30 2.083 -2.809 5.789 224 1HB PHE 30 2HB PHE 30 2.716 -4.535 4.175 225 2HB PHE 30 1HB PHE 30 1.773 -5.737 5.056 226 HD1 PHE 30 HD1 PHE 30 1.369 -2.347 3.495 227 HD2 PHE 30 HD2 PHE 30 -0.414 -6.151 4.380 228 HE1 PHE 30 HE1 PHE 30 -0.668 -1.683 2.246 229 HE2 PHE 30 HE2 PHE 30 -2.447 -5.489 3.130 230 HZ PHE 30 HZ PHE 30 -2.574 -3.255 2.063 231 H ARG 31 HN ARG 31 1.165 -5.837 7.444 232 HA ARG 31 HA ARG 31 -1.605 -5.139 7.759 233 1HB ARG 31 2HB ARG 31 -0.542 -7.452 8.022 234 2HB ARG 31 1HB ARG 31 -0.010 -6.918 9.616 235 1HG ARG 31 2HG ARG 31 -2.776 -6.237 9.332 236 2HG ARG 31 1HG ARG 31 -2.575 -7.926 8.864 237 1HD ARG 31 2HD ARG 31 -1.549 -6.695 11.435 238 2HD ARG 31 1HD ARG 31 -2.988 -7.699 11.295 239 HE ARG 31 HE ARG 31 -1.430 -9.536 10.499 240 1HH1 ARG 31 1HH2 ARG 31 -0.243 -6.862 12.390 241 2HH1 ARG 31 2HH2 ARG 31 1.114 -7.747 12.990 242 1HH2 ARG 31 1HH1 ARG 31 0.338 -10.662 11.299 243 2HH2 ARG 31 2HH1 ARG 31 1.442 -9.880 12.380 244 H ALA 32 HN ALA 32 1.044 -5.141 10.164 245 HA ALA 32 HA ALA 32 -0.258 -3.878 12.284 246 1HB ALA 32 1HB ALA 32 1.812 -3.717 13.208 247 2HB ALA 32 2HB ALA 32 2.473 -2.868 11.810 248 3HB ALA 32 3HB ALA 32 2.327 -4.626 11.787 249 H GLN 33 HN GLN 33 1.192 -2.373 9.417 250 HA GLN 33 HA GLN 33 0.792 0.342 10.296 251 1HB GLN 33 2HB GLN 33 1.427 -1.002 7.691 252 2HB GLN 33 1HB GLN 33 0.966 0.701 7.692 253 1HG GLN 33 2HG GLN 33 3.035 -0.242 9.646 254 2HG GLN 33 1HG GLN 33 3.501 0.023 7.964 255 1HE2 GLN 33 1HE2 GLN 33 2.699 1.613 10.953 256 2HE2 GLN 33 2HE2 GLN 33 2.812 3.205 10.374 257 H THR 34 HN THR 34 -1.368 -2.019 8.978 258 HA THR 34 HA THR 34 -3.367 0.162 8.493 259 HB THR 34 HB THR 34 -4.413 -1.316 6.814 260 HG1 THR 34 HG1 THR 34 -2.158 -2.960 7.314 261 1HG2 THR 34 1HG2 THR 34 -1.454 -0.774 6.470 262 2HG2 THR 34 2HG2 THR 34 -2.791 0.276 6.003 263 3HG2 THR 34 3HG2 THR 34 -2.525 -1.243 5.149 264 H VAL 35 HN VAL 35 -2.892 -1.313 11.033 265 HA VAL 35 HA VAL 35 -5.190 -3.138 11.230 266 HB VAL 35 HB VAL 35 -4.545 -3.238 13.658 267 1HG1 VAL 35 1HG1 VAL 35 -2.012 -3.699 12.189 268 2HG1 VAL 35 2HG1 VAL 35 -3.441 -4.481 11.521 269 3HG1 VAL 35 3HG1 VAL 35 -2.952 -4.809 13.184 270 1HG2 VAL 35 1HG2 VAL 35 -3.120 -1.728 14.543 271 2HG2 VAL 35 2HG2 VAL 35 -3.210 -0.842 13.021 272 3HG2 VAL 35 3HG2 VAL 35 -1.931 -2.029 13.277 273 H GLY 36 HN GLY 36 -7.208 -2.474 11.711 274 1HA GLY 36 2HA GLY 36 -8.938 -1.214 12.697 275 2HA GLY 36 1HA GLY 36 -7.714 -0.297 13.572 276 H LYS 37 HN LYS 37 -7.133 -0.416 10.194 277 HA LYS 37 HA LYS 37 -8.464 2.244 9.858 278 1HB LYS 37 2HB LYS 37 -5.656 1.390 9.171 279 2HB LYS 37 1HB LYS 37 -6.432 2.724 8.318 280 1HG LYS 37 2HG LYS 37 -6.894 3.070 11.124 281 2HG LYS 37 1HG LYS 37 -5.172 2.774 10.880 282 1HD LYS 37 2HD LYS 37 -5.026 4.577 9.269 283 2HD LYS 37 1HD LYS 37 -6.775 4.803 9.300 284 1HE LYS 37 2HE LYS 37 -5.967 6.494 10.737 285 2HE LYS 37 1HE LYS 37 -6.477 5.216 11.838 286 1HZ LYS 37 1HE LYS 37 -3.822 4.736 11.056 287 2HZ LYS 37 2HE LYS 37 -4.423 5.084 12.607 288 3HZ LYS 37 3HE LYS 37 -3.941 6.345 11.577 289 H ILE 38 HN ILE 38 -8.778 2.804 7.490 290 HA ILE 38 HA ILE 38 -9.875 0.474 6.094 291 HB ILE 38 HB ILE 38 -9.683 3.358 5.171 292 1HG1 ILE 38 2HG1 ILE 38 -12.154 2.079 6.304 293 2HG1 ILE 38 1HG1 ILE 38 -10.936 2.721 7.404 294 1HG2 ILE 38 1HG2 ILE 38 -11.410 2.766 3.604 295 2HG2 ILE 38 2HG2 ILE 38 -11.611 1.175 4.339 296 3HG2 ILE 38 3HG2 ILE 38 -10.138 1.555 3.446 297 1HD1 ILE 38 1HD1 ILE 38 -11.594 4.527 5.178 298 2HD1 ILE 38 2HD1 ILE 38 -11.447 4.872 6.900 299 3HD1 ILE 38 3HD1 ILE 38 -12.943 4.208 6.262 300 H MET 39 HN MET 39 -8.761 -0.712 4.641 301 HA MET 39 HA MET 39 -6.203 0.379 3.562 302 1HB MET 39 2HB MET 39 -6.208 -1.769 4.895 303 2HB MET 39 1HB MET 39 -7.163 -2.493 3.602 304 1HG MET 39 2HG MET 39 -5.141 -1.396 2.154 305 2HG MET 39 1HG MET 39 -4.291 -1.772 3.654 306 1HE MET 39 1HE MET 39 -4.106 -5.379 4.031 307 2HE MET 39 2HE MET 39 -5.397 -4.493 4.836 308 3HE MET 39 3HE MET 39 -3.826 -3.732 4.607 309 H VAL 40 HN VAL 40 -6.371 1.152 1.490 310 HA VAL 40 HA VAL 40 -8.545 0.157 -0.250 311 HB VAL 40 HB VAL 40 -6.503 2.323 -0.813 312 1HG1 VAL 40 1HG1 VAL 40 -7.602 1.507 -2.819 313 2HG1 VAL 40 2HG1 VAL 40 -8.300 3.072 -2.404 314 3HG1 VAL 40 3HG1 VAL 40 -9.179 1.589 -2.035 315 1HG2 VAL 40 1HG2 VAL 40 -9.148 2.339 0.630 316 2HG2 VAL 40 2HG2 VAL 40 -8.605 3.770 -0.244 317 3HG2 VAL 40 3HG2 VAL 40 -7.638 3.128 1.083 318 H VAL 41 HN VAL 41 -8.148 -1.577 -1.489 319 HA VAL 41 HA VAL 41 -5.465 -1.828 -2.782 320 HB VAL 41 HB VAL 41 -5.928 -4.356 -2.686 321 1HG1 VAL 41 1HG1 VAL 41 -4.495 -4.424 -0.929 322 2HG1 VAL 41 2HG1 VAL 41 -5.565 -3.478 0.101 323 3HG1 VAL 41 3HG1 VAL 41 -4.521 -2.668 -1.063 324 1HG2 VAL 41 1HG2 VAL 41 -8.345 -3.497 -1.629 325 2HG2 VAL 41 2HG2 VAL 41 -7.447 -4.007 -0.199 326 3HG2 VAL 41 3HG2 VAL 41 -7.709 -5.137 -1.527 327 H GLY 42 HN GLY 42 -5.617 -1.913 -4.969 328 1HA GLY 42 2HA GLY 42 -8.098 -1.738 -6.347 329 2HA GLY 42 1HA GLY 42 -6.549 -2.102 -7.097 330 H ARG 43 HN ARG 43 -9.187 -3.272 -7.656 331 HA ARG 43 HA ARG 43 -9.690 -5.802 -6.629 332 1HB ARG 43 2HB ARG 43 -10.899 -4.474 -8.485 333 2HB ARG 43 1HB ARG 43 -9.786 -5.264 -9.589 334 1HG ARG 43 2HG ARG 43 -11.068 -7.083 -7.654 335 2HG ARG 43 1HG ARG 43 -12.194 -6.310 -8.761 336 1HD ARG 43 2HD ARG 43 -10.079 -8.331 -9.308 337 2HD ARG 43 1HD ARG 43 -11.656 -8.124 -10.053 338 HE ARG 43 HE ARG 43 -9.562 -6.143 -10.746 339 1HH1 ARG 43 1HH2 ARG 43 -11.462 -8.926 -11.597 340 2HH1 ARG 43 2HH2 ARG 43 -11.084 -8.803 -13.279 341 1HH2 ARG 43 1HH1 ARG 43 -9.073 -6.012 -12.924 342 2HH2 ARG 43 2HH1 ARG 43 -9.742 -7.166 -14.028 343 H ARG 44 HN ARG 44 -6.911 -4.866 -8.548 344 HA ARG 44 HA ARG 44 -6.294 -7.591 -9.396 345 1HB ARG 44 2HB ARG 44 -4.732 -5.002 -9.424 346 2HB ARG 44 1HB ARG 44 -4.056 -6.527 -9.991 347 1HG ARG 44 2HG ARG 44 -6.666 -6.178 -11.146 348 2HG ARG 44 1HG ARG 44 -5.717 -4.718 -11.425 349 1HD ARG 44 2HD ARG 44 -4.157 -5.807 -12.722 350 2HD ARG 44 1HD ARG 44 -4.361 -7.335 -11.871 351 HE ARG 44 HE ARG 44 -6.285 -6.287 -13.908 352 1HH1 ARG 44 1HH1 ARG 44 -4.794 -8.890 -12.136 353 2HH1 ARG 44 2HH1 ARG 44 -5.613 -10.115 -13.037 354 1HH2 ARG 44 1HH2 ARG 44 -7.336 -7.897 -15.055 355 2HH2 ARG 44 2HH2 ARG 44 -7.042 -9.561 -14.675 356 H THR 45 HN THR 45 -5.044 -5.342 -6.911 357 HA THR 45 HA THR 45 -3.135 -7.240 -5.857 358 HB THR 45 HB THR 45 -4.402 -4.951 -4.334 359 HG1 THR 45 HG1 THR 45 -2.210 -4.921 -6.133 360 1HG2 THR 45 1HG2 THR 45 -2.906 -6.598 -3.140 361 2HG2 THR 45 2HG2 THR 45 -2.315 -4.937 -3.121 362 3HG2 THR 45 3HG2 THR 45 -1.606 -6.112 -4.228 363 H TYR 46 HN TYR 46 -6.384 -6.205 -4.751 364 HA TYR 46 HA TYR 46 -6.594 -7.895 -2.502 365 1HB TYR 46 2HB TYR 46 -8.250 -6.123 -3.207 366 2HB TYR 46 1HB TYR 46 -8.844 -7.247 -4.429 367 HD1 TYR 46 HD1 TYR 46 -10.217 -9.129 -3.842 368 HD2 TYR 46 HD2 TYR 46 -8.457 -6.685 -0.781 369 HE1 TYR 46 HE1 TYR 46 -11.651 -10.224 -2.141 370 HE2 TYR 46 HE2 TYR 46 -9.890 -7.778 0.918 371 HH TYR 46 HH TYR 46 -12.576 -9.580 0.170 372 H GLU 47 HN GLU 47 -7.058 -8.605 -5.934 373 HA GLU 47 HA GLU 47 -8.064 -11.297 -5.477 374 1HB GLU 47 2HB GLU 47 -7.275 -9.646 -7.823 375 2HB GLU 47 1HB GLU 47 -7.168 -11.395 -8.023 376 1HG GLU 47 HG2 GLU 47 -9.619 -10.894 -6.690 377 2HG GLU 47 HG1 GLU 47 -9.520 -9.726 -8.007 378 H SER 48 HN SER 48 -4.947 -9.827 -5.495 379 HA SER 48 HA SER 48 -3.596 -12.440 -5.926 380 1HB SER 48 2HB SER 48 -2.770 -10.338 -7.073 381 2HB SER 48 1HB SER 48 -2.320 -9.729 -5.483 382 HG SER 48 HG SER 48 -0.541 -10.756 -6.287 383 H PHE 49 HN PHE 49 -4.603 -10.324 -3.396 384 HA PHE 49 HA PHE 49 -2.699 -10.691 -1.380 385 1HB PHE 49 2HB PHE 49 -5.562 -10.090 -1.496 386 2HB PHE 49 1HB PHE 49 -5.121 -10.967 -0.031 387 HD1 PHE 49 HD1 PHE 49 -3.854 -9.924 1.707 388 HD2 PHE 49 HD2 PHE 49 -4.358 -7.959 -2.075 389 HE1 PHE 49 HE1 PHE 49 -2.896 -7.853 2.661 390 HE2 PHE 49 HE2 PHE 49 -3.395 -5.886 -1.121 391 HZ PHE 49 HZ PHE 49 -2.664 -5.831 1.242 392 HA PRO 50 HA PRO 50 -2.831 -14.989 -0.257 393 1HB PRO 50 2HB PRO 50 -2.189 -14.660 2.452 394 2HB PRO 50 1HB PRO 50 -1.036 -14.769 1.115 395 1HG PRO 50 2HG PRO 50 -1.602 -12.506 2.753 396 2HG PRO 50 1HG PRO 50 -0.488 -12.606 1.382 397 1HD PRO 50 2HD PRO 50 -3.188 -11.461 1.499 398 2HD PRO 50 1HD PRO 50 -1.908 -11.194 0.305 399 H LYS 51 HN LYS 51 -4.171 -13.092 2.493 400 HA LYS 51 HA LYS 51 -6.555 -14.891 2.415 401 1HB LYS 51 2HB LYS 51 -4.887 -14.133 4.823 402 2HB LYS 51 1HB LYS 51 -6.516 -14.794 4.955 403 1HG LYS 51 2HG LYS 51 -5.756 -16.758 3.579 404 2HG LYS 51 1HG LYS 51 -4.112 -16.122 3.677 405 1HD LYS 51 2HD LYS 51 -4.459 -16.103 6.229 406 2HD LYS 51 1HD LYS 51 -5.862 -17.128 5.922 407 1HE LYS 51 2HE LYS 51 -4.549 -18.875 5.045 408 2HE LYS 51 1HE LYS 51 -3.172 -17.814 4.751 409 1HZ LYS 51 1HE LYS 51 -2.403 -18.224 6.772 410 2HZ LYS 51 2HE LYS 51 -3.623 -19.388 6.973 411 3HZ LYS 51 3HE LYS 51 -3.874 -17.791 7.497 412 H ARG 52 HN ARG 52 -8.193 -13.509 1.895 413 HA ARG 52 HA ARG 52 -8.296 -10.894 3.349 414 1HB ARG 52 2HB ARG 52 -9.662 -11.428 0.709 415 2HB ARG 52 1HB ARG 52 -9.296 -9.874 1.455 416 1HG ARG 52 2HG ARG 52 -7.515 -9.898 0.029 417 2HG ARG 52 1HG ARG 52 -6.793 -10.925 1.268 418 1HD ARG 52 2HD ARG 52 -6.641 -11.892 -1.047 419 2HD ARG 52 1HD ARG 52 -7.489 -12.931 0.096 420 HE ARG 52 HE ARG 52 -9.372 -11.235 -1.249 421 1HH1 ARG 52 1HH1 ARG 52 -7.295 -13.974 -1.717 422 2HH1 ARG 52 2HH1 ARG 52 -8.291 -14.667 -2.950 423 1HH2 ARG 52 1HH2 ARG 52 -10.661 -12.144 -2.851 424 2HH2 ARG 52 2HH2 ARG 52 -10.189 -13.637 -3.590 425 HA PRO 53 HA PRO 53 -9.572 -9.373 3.749 426 1HB PRO 53 2HB PRO 53 -11.156 -8.501 5.850 427 2HB PRO 53 1HB PRO 53 -11.533 -8.269 4.136 428 1HG PRO 53 2HG PRO 53 -12.899 -9.919 6.053 429 2HG PRO 53 1HG PRO 53 -13.315 -9.625 4.359 430 1HD PRO 53 2HD PRO 53 -11.972 -11.943 5.556 431 2HD PRO 53 1HD PRO 53 -12.734 -11.787 3.964 432 H LEU 54 HN LEU 54 -8.748 -8.192 5.840 433 HA LEU 54 HA LEU 54 -7.201 -10.154 7.362 434 1HB LEU 54 2HB LEU 54 -7.345 -7.133 7.517 435 2HB LEU 54 1HB LEU 54 -6.256 -8.117 8.494 436 HG LEU 54 HG LEU 54 -6.262 -8.610 5.556 437 1HD1 LEU 54 1HD1 LEU 54 -4.611 -6.352 6.665 438 2HD1 LEU 54 2HD1 LEU 54 -6.247 -6.046 6.077 439 3HD1 LEU 54 3HD1 LEU 54 -5.028 -6.706 4.988 440 1HD2 LEU 54 1HD2 LEU 54 -4.863 -9.757 7.427 441 2HD2 LEU 54 2HD2 LEU 54 -3.918 -8.267 7.423 442 3HD2 LEU 54 3HD2 LEU 54 -4.027 -9.247 5.961 443 HA PRO 55 HA PRO 55 -9.774 -10.580 10.920 444 1HB PRO 55 2HB PRO 55 -7.625 -10.758 12.779 445 2HB PRO 55 1HB PRO 55 -8.502 -12.088 12.012 446 1HG PRO 55 2HG PRO 55 -5.817 -11.257 11.546 447 2HG PRO 55 1HG PRO 55 -6.707 -12.568 10.760 448 1HD PRO 55 2HD PRO 55 -5.986 -9.985 9.684 449 2HD PRO 55 1HD PRO 55 -6.739 -11.356 8.861 450 H GLU 56 HN GLU 56 -10.759 -9.157 12.278 451 HA GLU 56 HA GLU 56 -11.202 -7.119 13.364 452 1HB GLU 56 2HB GLU 56 -8.521 -8.033 14.320 453 2HB GLU 56 1HB GLU 56 -9.066 -6.422 14.789 454 1HG GLU 56 HG2 GLU 56 -11.327 -7.865 15.260 455 2HG GLU 56 HG1 GLU 56 -10.092 -9.075 15.612 456 H ARG 57 HN ARG 57 -10.395 -6.745 10.657 457 HA ARG 57 HA ARG 57 -9.239 -4.026 10.898 458 1HB ARG 57 2HB ARG 57 -8.124 -6.215 9.129 459 2HB ARG 57 1HB ARG 57 -7.752 -4.505 8.909 460 1HG ARG 57 2HG ARG 57 -6.656 -4.355 11.000 461 2HG ARG 57 1HG ARG 57 -7.362 -5.863 11.574 462 1HD ARG 57 2HD ARG 57 -5.908 -6.341 9.137 463 2HD ARG 57 1HD ARG 57 -4.866 -5.530 10.305 464 HE ARG 57 HE ARG 57 -5.810 -8.250 10.495 465 1HH1 ARG 57 1HH2 ARG 57 -5.074 -5.401 12.333 466 2HH1 ARG 57 2HH2 ARG 57 -4.696 -6.283 13.773 467 1HH2 ARG 57 1HH1 ARG 57 -5.322 -9.389 12.375 468 2HH2 ARG 57 2HH1 ARG 57 -4.836 -8.529 13.798 469 H THR 58 HN THR 58 -9.798 -2.654 9.111 470 HA THR 58 HA THR 58 -12.082 -3.713 7.500 471 HB THR 58 HB THR 58 -11.480 -0.784 7.881 472 HG1 THR 58 HG1 THR 58 -12.832 -2.544 9.644 473 1HG2 THR 58 1HG2 THR 58 -14.027 -2.383 7.482 474 2HG2 THR 58 2HG2 THR 58 -13.182 -1.468 6.234 475 3HG2 THR 58 3HG2 THR 58 -13.927 -0.625 7.592 476 H ASN 59 HN ASN 59 -11.708 -3.965 5.358 477 HA ASN 59 HA ASN 59 -9.590 -2.279 4.090 478 1HB ASN 59 2HB ASN 59 -10.153 -5.181 3.424 479 2HB ASN 59 1HB ASN 59 -8.839 -4.181 2.798 480 1HD2 ASN 59 1HD2 ASN 59 -9.803 -6.229 5.434 481 2HD2 ASN 59 2HD2 ASN 59 -8.424 -5.997 6.394 482 H VAL 60 HN VAL 60 -9.975 -1.804 1.815 483 HA VAL 60 HA VAL 60 -12.798 -2.301 0.967 484 HB VAL 60 HB VAL 60 -11.182 0.223 0.508 485 1HG1 VAL 60 1HG1 VAL 60 -12.712 0.155 -1.247 486 2HG1 VAL 60 2HG1 VAL 60 -13.651 0.989 -0.009 487 3HG1 VAL 60 3HG1 VAL 60 -13.909 -0.731 -0.304 488 1HG2 VAL 60 1HG2 VAL 60 -11.952 -0.268 2.906 489 2HG2 VAL 60 2HG2 VAL 60 -13.599 -0.118 2.295 490 3HG2 VAL 60 3HG2 VAL 60 -12.498 1.257 2.209 491 H VAL 61 HN VAL 61 -13.053 -3.006 -1.109 492 HA VAL 61 HA VAL 61 -10.579 -3.428 -2.700 493 HB VAL 61 HB VAL 61 -13.359 -4.491 -3.264 494 1HG1 VAL 61 1HG1 VAL 61 -11.388 -6.289 -4.099 495 2HG1 VAL 61 2HG1 VAL 61 -10.733 -4.705 -4.516 496 3HG1 VAL 61 3HG1 VAL 61 -12.310 -5.198 -5.133 497 1HG2 VAL 61 1HG2 VAL 61 -12.062 -6.619 -2.238 498 2HG2 VAL 61 2HG2 VAL 61 -13.038 -5.539 -1.243 499 3HG2 VAL 61 3HG2 VAL 61 -11.286 -5.342 -1.301 500 H LEU 62 HN LEU 62 -10.442 -2.697 -4.872 501 HA LEU 62 HA LEU 62 -12.479 -0.636 -5.623 502 1HB LEU 62 2HB LEU 62 -9.674 -0.352 -5.205 503 2HB LEU 62 1HB LEU 62 -9.962 -0.181 -6.936 504 HG LEU 62 HG LEU 62 -11.819 1.446 -6.365 505 1HD1 LEU 62 1HD1 LEU 62 -12.356 1.020 -4.120 506 2HD1 LEU 62 2HD1 LEU 62 -11.390 2.491 -4.008 507 3HD1 LEU 62 3HD1 LEU 62 -10.664 0.928 -3.633 508 1HD2 LEU 62 1HD2 LEU 62 -10.330 3.269 -6.256 509 2HD2 LEU 62 2HD2 LEU 62 -9.331 1.986 -6.939 510 3HD2 LEU 62 3HD2 LEU 62 -9.192 2.396 -5.230 511 H THR 63 HN THR 63 -13.642 -1.408 -7.314 512 HA THR 63 HA THR 63 -12.161 -2.596 -9.601 513 HB THR 63 HB THR 63 -12.908 -4.499 -8.171 514 HG1 THR 63 HG1 THR 63 -12.869 -5.123 -10.209 515 1HG2 THR 63 1HG2 THR 63 -15.159 -4.868 -7.632 516 2HG2 THR 63 2HG2 THR 63 -15.737 -3.780 -8.893 517 3HG2 THR 63 3HG2 THR 63 -15.001 -3.123 -7.432 518 H HIS 64 HN HIS 64 -13.563 -2.709 -11.573 519 HA HIS 64 HA HIS 64 -15.529 -0.471 -11.540 520 1HB HIS 64 2HB HIS 64 -13.615 -1.556 -13.536 521 2HB HIS 64 1HB HIS 64 -15.164 -1.006 -14.174 522 HD1 HIS 64 HD1 HIS 64 -15.776 1.523 -13.816 523 HD2 HIS 64 HD2 HIS 64 -11.928 0.501 -12.583 524 HE1 HIS 64 HE1 HIS 64 -14.532 3.702 -13.471 525 H GLN 65 HN GLN 65 -15.685 -3.669 -11.085 526 HA GLN 65 HA GLN 65 -17.696 -4.388 -13.084 527 1HB GLN 65 2HB GLN 65 -16.490 -5.746 -10.681 528 2HB GLN 65 1HB GLN 65 -17.921 -6.418 -11.462 529 1HG GLN 65 2HG GLN 65 -16.007 -7.465 -12.480 530 2HG GLN 65 1HG GLN 65 -16.655 -6.317 -13.652 531 1HE2 GLN 65 1HE2 GLN 65 -13.885 -7.069 -11.647 532 2HE2 GLN 65 2HE2 GLN 65 -12.921 -5.764 -12.147 533 H GLU 66 HN GLU 66 -19.765 -5.520 -11.955 534 HA GLU 66 HA GLU 66 -20.863 -3.518 -10.021 535 1HB GLU 66 2HB GLU 66 -23.068 -3.877 -11.132 536 2HB GLU 66 1HB GLU 66 -21.865 -3.188 -12.222 537 1HG GLU 66 HG2 GLU 66 -21.409 -5.401 -13.167 538 2HG GLU 66 HG1 GLU 66 -22.545 -6.137 -12.036 539 H ASP 67 HN ASP 67 -20.456 -6.882 -10.826 540 HA ASP 67 HA ASP 67 -22.305 -7.637 -8.611 541 1HB ASP 67 2HB ASP 67 -21.796 -8.754 -11.194 542 2HB ASP 67 1HB ASP 67 -21.297 -9.934 -9.983 543 H TYR 68 HN TYR 68 -19.549 -6.567 -8.219 544 HA TYR 68 HA TYR 68 -17.737 -8.690 -7.570 545 1HB TYR 68 2HB TYR 68 -17.399 -6.064 -7.668 546 2HB TYR 68 1HB TYR 68 -17.800 -6.163 -5.955 547 HD1 TYR 68 HD1 TYR 68 -15.514 -7.532 -8.564 548 HD2 TYR 68 HD2 TYR 68 -16.210 -6.927 -4.369 549 HE1 TYR 68 HE1 TYR 68 -13.212 -8.307 -8.071 550 HE2 TYR 68 HE2 TYR 68 -13.907 -7.702 -3.876 551 HH TYR 68 HH TYR 68 -11.575 -7.711 -5.548 552 H GLN 69 HN GLN 69 -18.413 -10.333 -6.229 553 HA GLN 69 HA GLN 69 -20.044 -9.622 -3.843 554 1HB GLN 69 2HB GLN 69 -19.446 -12.285 -5.162 555 2HB GLN 69 1HB GLN 69 -20.397 -12.102 -3.688 556 1HG GLN 69 2HG GLN 69 -21.296 -10.297 -5.803 557 2HG GLN 69 1HG GLN 69 -21.383 -11.989 -6.292 558 1HE2 GLN 69 1HE2 GLN 69 -22.947 -9.554 -4.428 559 2HE2 GLN 69 2HE2 GLN 69 -24.063 -10.560 -3.640 560 H ALA 70 HN ALA 70 -18.693 -9.053 -2.184 561 HA ALA 70 HA ALA 70 -16.598 -11.034 -1.423 562 1HB ALA 70 1HB ALA 70 -15.913 -8.650 -2.542 563 2HB ALA 70 2HB ALA 70 -14.915 -9.489 -1.355 564 3HB ALA 70 3HB ALA 70 -15.992 -8.190 -0.842 565 H GLN 71 HN GLN 71 -17.951 -11.814 0.253 566 HA GLN 71 HA GLN 71 -19.209 -9.995 2.150 567 1HB GLN 71 2HB GLN 71 -18.748 -12.992 2.212 568 2HB GLN 71 1HB GLN 71 -19.681 -12.108 3.421 569 1HG GLN 71 2HG GLN 71 -21.469 -11.867 2.041 570 2HG GLN 71 1HG GLN 71 -20.457 -11.517 0.640 571 1HE2 GLN 71 1HE2 GLN 71 -20.247 -13.179 -0.881 572 2HE2 GLN 71 2HE2 GLN 71 -20.680 -14.797 -0.608 573 H GLY 72 HN GLY 72 -18.136 -8.991 3.768 574 1HA GLY 72 2HA GLY 72 -16.800 -9.273 5.837 575 2HA GLY 72 1HA GLY 72 -15.753 -10.367 4.933 576 H ALA 73 HN ALA 73 -15.715 -8.631 2.526 577 HA ALA 73 HA ALA 73 -13.894 -6.533 3.618 578 1HB ALA 73 1HB ALA 73 -13.635 -8.466 1.474 579 2HB ALA 73 2HB ALA 73 -12.404 -7.422 2.184 580 3HB ALA 73 3HB ALA 73 -13.410 -6.826 0.863 581 H VAL 74 HN VAL 74 -14.170 -4.438 3.000 582 HA VAL 74 HA VAL 74 -16.744 -3.557 2.081 583 HB VAL 74 HB VAL 74 -14.148 -1.995 2.084 584 1HG1 VAL 74 1HG1 VAL 74 -15.403 -0.294 1.317 585 2HG1 VAL 74 2HG1 VAL 74 -16.450 -0.439 2.728 586 3HG1 VAL 74 3HG1 VAL 74 -16.816 -1.347 1.261 587 1HG2 VAL 74 1HG2 VAL 74 -14.297 -2.578 4.309 588 2HG2 VAL 74 2HG2 VAL 74 -16.040 -2.833 4.233 589 3HG2 VAL 74 3HG2 VAL 74 -15.391 -1.195 4.315 590 H VAL 75 HN VAL 75 -17.483 -3.073 0.042 591 HA VAL 75 HA VAL 75 -15.538 -3.387 -2.216 592 HB VAL 75 HB VAL 75 -18.481 -4.112 -2.184 593 1HG1 VAL 75 1HG1 VAL 75 -17.647 -3.494 -4.403 594 2HG1 VAL 75 2HG1 VAL 75 -17.920 -5.234 -4.322 595 3HG1 VAL 75 3HG1 VAL 75 -16.281 -4.594 -4.214 596 1HG2 VAL 75 1HG2 VAL 75 -16.052 -5.573 -1.386 597 2HG2 VAL 75 2HG2 VAL 75 -17.046 -6.435 -2.559 598 3HG2 VAL 75 3HG2 VAL 75 -17.742 -5.920 -1.023 599 H VAL 76 HN VAL 76 -15.459 -1.695 -3.659 600 HA VAL 76 HA VAL 76 -17.811 0.077 -3.939 601 HB VAL 76 HB VAL 76 -16.446 2.122 -3.596 602 1HG1 VAL 76 1HG1 VAL 76 -16.301 0.279 -1.196 603 2HG1 VAL 76 2HG1 VAL 76 -17.792 1.040 -1.750 604 3HG1 VAL 76 3HG1 VAL 76 -16.450 2.036 -1.187 605 1HG2 VAL 76 1HG2 VAL 76 -14.206 1.764 -3.814 606 2HG2 VAL 76 2HG2 VAL 76 -14.335 0.076 -3.326 607 3HG2 VAL 76 3HG2 VAL 76 -14.283 1.343 -2.103 608 H HIS 77 HN HIS 77 -17.428 1.681 -5.759 609 HA HIS 77 HA HIS 77 -15.399 0.734 -7.725 610 1HB HIS 77 2HB HIS 77 -18.254 1.327 -8.530 611 2HB HIS 77 1HB HIS 77 -16.995 0.548 -9.487 612 HD1 HIS 77 HD1 HIS 77 -16.241 -1.888 -8.637 613 HD2 HIS 77 HD2 HIS 77 -19.779 -0.427 -6.995 614 HE1 HIS 77 HE1 HIS 77 -17.428 -3.877 -7.615 615 H ASP 78 HN ASP 78 -15.563 3.132 -6.021 616 HA ASP 78 HA ASP 78 -15.053 5.108 -8.074 617 1HB ASP 78 2HB ASP 78 -17.723 4.963 -6.875 618 2HB ASP 78 1HB ASP 78 -16.970 6.546 -6.678 619 H VAL 79 HN VAL 79 -13.191 5.802 -7.143 620 HA VAL 79 HA VAL 79 -12.369 5.812 -4.517 621 HB VAL 79 HB VAL 79 -11.877 8.031 -6.528 622 1HG1 VAL 79 1HG1 VAL 79 -10.110 8.748 -5.206 623 2HG1 VAL 79 2HG1 VAL 79 -9.932 7.180 -4.424 624 3HG1 VAL 79 3HG1 VAL 79 -11.251 8.247 -3.960 625 1HG2 VAL 79 1HG2 VAL 79 -10.570 5.351 -6.016 626 2HG2 VAL 79 2HG2 VAL 79 -9.747 6.648 -6.883 627 3HG2 VAL 79 3HG2 VAL 79 -11.237 5.962 -7.530 628 H ALA 80 HN ALA 80 -14.649 8.066 -5.982 629 HA ALA 80 HA ALA 80 -14.673 10.071 -3.968 630 1HB ALA 80 1HB ALA 80 -17.272 9.268 -5.185 631 2HB ALA 80 2HB ALA 80 -15.995 9.772 -6.291 632 3HB ALA 80 3HB ALA 80 -16.553 10.870 -5.028 633 H ALA 81 HN ALA 81 -16.394 6.975 -4.189 634 HA ALA 81 HA ALA 81 -17.953 7.321 -1.798 635 1HB ALA 81 1HB ALA 81 -17.372 4.553 -2.204 636 2HB ALA 81 2HB ALA 81 -17.570 5.301 -3.789 637 3HB ALA 81 3HB ALA 81 -18.858 5.420 -2.590 638 H VAL 82 HN VAL 82 -14.829 5.677 -2.419 639 HA VAL 82 HA VAL 82 -14.379 4.741 0.222 640 HB VAL 82 HB VAL 82 -12.248 5.780 -1.664 641 1HG1 VAL 82 1HG1 VAL 82 -11.208 3.597 -0.486 642 2HG1 VAL 82 2HG1 VAL 82 -12.322 4.091 0.789 643 3HG1 VAL 82 3HG1 VAL 82 -11.075 5.205 0.226 644 1HG2 VAL 82 1HG2 VAL 82 -12.753 2.908 -1.721 645 2HG2 VAL 82 2HG2 VAL 82 -12.634 4.048 -3.061 646 3HG2 VAL 82 3HG2 VAL 82 -14.170 3.825 -2.229 647 H PHE 83 HN PHE 83 -13.520 7.867 -1.258 648 HA PHE 83 HA PHE 83 -12.172 8.948 1.019 649 1HB PHE 83 2HB PHE 83 -13.469 10.074 -1.428 650 2HB PHE 83 1HB PHE 83 -13.121 11.182 -0.102 651 HD1 PHE 83 HD1 PHE 83 -11.817 9.867 -3.043 652 HD2 PHE 83 HD2 PHE 83 -10.675 10.707 1.009 653 HE1 PHE 83 HE1 PHE 83 -9.436 9.941 -3.730 654 HE2 PHE 83 HE2 PHE 83 -8.294 10.782 0.322 655 HZ PHE 83 HZ PHE 83 -7.674 10.399 -2.047 656 H ALA 84 HN ALA 84 -15.562 8.570 0.253 657 HA ALA 84 HA ALA 84 -16.517 10.480 2.220 658 1HB ALA 84 1HB ALA 84 -17.707 9.381 0.110 659 2HB ALA 84 2HB ALA 84 -18.638 9.894 1.517 660 3HB ALA 84 3HB ALA 84 -18.215 8.194 1.312 661 H TYR 85 HN TYR 85 -15.518 7.123 2.343 662 HA TYR 85 HA TYR 85 -16.947 6.518 4.803 663 1HB TYR 85 2HB TYR 85 -15.863 4.928 2.959 664 2HB TYR 85 1HB TYR 85 -14.464 5.042 4.026 665 HD1 TYR 85 HD1 TYR 85 -18.161 4.404 4.129 666 HD2 TYR 85 HD2 TYR 85 -14.323 3.632 5.886 667 HE1 TYR 85 HE1 TYR 85 -19.195 2.762 5.676 668 HE2 TYR 85 HE2 TYR 85 -15.352 1.996 7.434 669 HH TYR 85 HH TYR 85 -18.259 0.634 6.992 670 H ALA 86 HN ALA 86 -13.514 7.197 4.045 671 HA ALA 86 HA ALA 86 -12.551 7.187 6.708 672 1HB ALA 86 1HB ALA 86 -10.598 8.048 5.837 673 2HB ALA 86 2HB ALA 86 -11.444 9.195 4.798 674 3HB ALA 86 3HB ALA 86 -11.354 7.495 4.343 675 H LYS 87 HN LYS 87 -13.955 9.862 4.816 676 HA LYS 87 HA LYS 87 -13.545 11.890 6.799 677 1HB LYS 87 2HB LYS 87 -15.091 11.586 4.315 678 2HB LYS 87 1HB LYS 87 -15.861 12.645 5.494 679 1HG LYS 87 2HG LYS 87 -14.418 14.288 4.970 680 2HG LYS 87 1HG LYS 87 -13.071 13.265 5.464 681 1HD LYS 87 2HD LYS 87 -12.431 13.314 3.295 682 2HD LYS 87 1HD LYS 87 -13.778 12.218 2.993 683 1HE LYS 87 2HE LYS 87 -14.477 13.846 1.563 684 2HE LYS 87 1HE LYS 87 -15.070 14.624 3.030 685 1HZ LYS 87 1HE LYS 87 -12.351 15.039 1.917 686 2HZ LYS 87 2HE LYS 87 -13.077 15.890 3.196 687 3HZ LYS 87 3HE LYS 87 -13.664 16.068 1.612 688 H GLN 88 HN GLN 88 -15.990 9.413 6.390 689 HA GLN 88 HA GLN 88 -17.717 10.573 8.471 690 1HB GLN 88 2HB GLN 88 -17.942 8.498 6.437 691 2HB GLN 88 1HB GLN 88 -18.580 7.961 7.991 692 1HG GLN 88 2HG GLN 88 -20.428 9.021 6.986 693 2HG GLN 88 1HG GLN 88 -19.776 10.265 8.052 694 1HE2 GLN 88 1HE2 GLN 88 -19.507 9.127 4.641 695 2HE2 GLN 88 2HE2 GLN 88 -19.240 10.672 3.992 696 H HIS 89 HN HIS 89 -15.083 8.274 8.329 697 HA HIS 89 HA HIS 89 -15.830 7.139 10.960 698 1HB HIS 89 2HB HIS 89 -13.915 6.433 8.783 699 2HB HIS 89 1HB HIS 89 -13.498 5.946 10.426 700 HD1 HIS 89 HD1 HIS 89 -14.265 3.619 10.837 701 HD2 HIS 89 HD2 HIS 89 -16.965 5.706 8.444 702 HE1 HIS 89 HE1 HIS 89 -16.185 2.035 10.375 703 HA PRO 90 HA PRO 90 -13.036 10.217 12.781 704 1HB PRO 90 2HB PRO 90 -14.080 9.844 15.329 705 2HB PRO 90 1HB PRO 90 -14.682 11.008 14.141 706 1HG PRO 90 2HG PRO 90 -15.969 8.632 15.127 707 2HG PRO 90 1HG PRO 90 -16.606 9.852 14.016 708 1HD PRO 90 2HD PRO 90 -15.551 7.197 13.413 709 2HD PRO 90 1HD PRO 90 -16.461 8.302 12.370 710 H ASP 91 HN ASP 91 -13.077 6.918 12.959 711 HA ASP 91 HA ASP 91 -10.652 6.892 14.688 712 1HB ASP 91 2HB ASP 91 -13.208 5.641 15.289 713 2HB ASP 91 1HB ASP 91 -11.925 4.436 15.175 714 H GLN 92 HN GLN 92 -11.756 6.435 11.721 715 HA GLN 92 HA GLN 92 -9.740 4.364 11.098 716 1HB GLN 92 2HB GLN 92 -12.322 3.551 11.340 717 2HB GLN 92 1HB GLN 92 -12.330 4.082 9.659 718 1HG GLN 92 2HG GLN 92 -10.320 2.664 9.243 719 2HG GLN 92 1HG GLN 92 -10.435 2.075 10.899 720 1HE2 GLN 92 1HE2 GLN 92 -12.388 0.803 11.478 721 2HE2 GLN 92 2HE2 GLN 92 -13.277 0.015 10.266 722 H GLU 93 HN GLU 93 -8.474 5.785 9.829 723 HA GLU 93 HA GLU 93 -9.837 7.668 8.037 724 1HB GLU 93 2HB GLU 93 -6.941 7.140 8.735 725 2HB GLU 93 1HB GLU 93 -7.420 8.299 7.496 726 1HG GLU 93 HG2 GLU 93 -8.937 9.351 9.266 727 2HG GLU 93 HG1 GLU 93 -8.069 8.367 10.445 728 H LEU 94 HN LEU 94 -7.841 7.627 5.969 729 HA LEU 94 HA LEU 94 -8.619 5.093 4.593 730 1HB LEU 94 2HB LEU 94 -9.144 7.652 3.797 731 2HB LEU 94 1HB LEU 94 -7.612 7.358 2.975 732 HG LEU 94 HG LEU 94 -8.622 5.158 2.165 733 1HD1 LEU 94 1HD1 LEU 94 -11.296 6.415 2.629 734 2HD1 LEU 94 2HD1 LEU 94 -10.540 5.555 3.970 735 3HD1 LEU 94 3HD1 LEU 94 -10.874 4.711 2.458 736 1HD2 LEU 94 1HD2 LEU 94 -8.533 7.562 1.007 737 2HD2 LEU 94 2HD2 LEU 94 -10.287 7.416 1.133 738 3HD2 LEU 94 3HD2 LEU 94 -9.363 6.207 0.241 739 H VAL 95 HN VAL 95 -6.953 3.705 4.216 740 HA VAL 95 HA VAL 95 -4.198 4.868 4.075 741 HB VAL 95 HB VAL 95 -4.852 2.046 4.961 742 1HG1 VAL 95 1HG1 VAL 95 -2.553 2.172 5.866 743 2HG1 VAL 95 2HG1 VAL 95 -2.406 3.819 5.255 744 3HG1 VAL 95 3HG1 VAL 95 -2.568 2.472 4.128 745 1HG2 VAL 95 1HG2 VAL 95 -4.538 4.591 6.571 746 2HG2 VAL 95 2HG2 VAL 95 -4.299 2.991 7.275 747 3HG2 VAL 95 3HG2 VAL 95 -5.873 3.439 6.617 748 H ILE 96 HN ILE 96 -3.174 4.504 2.169 749 HA ILE 96 HA ILE 96 -4.562 2.894 0.143 750 HB ILE 96 HB ILE 96 -1.935 4.356 -0.152 751 1HG1 ILE 96 2HG1 ILE 96 -3.672 5.891 0.731 752 2HG1 ILE 96 1HG1 ILE 96 -3.274 6.272 -0.942 753 1HG2 ILE 96 1HG2 ILE 96 -4.095 3.514 -2.103 754 2HG2 ILE 96 2HG2 ILE 96 -2.494 2.794 -1.951 755 3HG2 ILE 96 3HG2 ILE 96 -2.663 4.452 -2.525 756 1HD1 ILE 96 1HD1 ILE 96 -5.718 6.273 -0.558 757 2HD1 ILE 96 2HD1 ILE 96 -5.626 4.585 -0.055 758 3HD1 ILE 96 3HD1 ILE 96 -5.236 5.032 -1.715 759 H ALA 97 HN ALA 97 -3.775 1.029 -0.797 760 HA ALA 97 HA ALA 97 -1.265 -0.116 0.330 761 1HB ALA 97 1HB ALA 97 -2.587 -2.374 0.049 762 2HB ALA 97 2HB ALA 97 -4.006 -1.335 0.183 763 3HB ALA 97 3HB ALA 97 -2.832 -1.395 1.495 764 H GLY 98 HN GLY 98 -2.885 0.922 -2.356 765 1HA GLY 98 2HA GLY 98 -1.926 0.853 -4.548 766 2HA GLY 98 1HA GLY 98 -1.091 -0.636 -4.119 767 H GLY 99 HN GLY 99 -3.532 -2.108 -6.269 768 1HA GLY 99 2HA GLY 99 -0.754 -1.776 -5.625 769 2HA GLY 99 1HA GLY 99 -1.400 -2.288 -7.178 770 H ALA 100 HN ALA 100 -0.181 -1.008 -8.517 771 HA ALA 100 HA ALA 100 0.537 1.711 -8.050 772 1HB ALA 100 1HB ALA 100 0.496 -0.113 -10.406 773 2HB ALA 100 2HB ALA 100 1.832 0.815 -9.726 774 3HB ALA 100 3HB ALA 100 0.620 1.617 -10.726 775 H GLN 101 HN GLN 101 -2.243 0.307 -9.768 776 HA GLN 101 HA GLN 101 -3.266 2.687 -10.879 777 1HB GLN 101 2HB GLN 101 -4.096 0.098 -10.857 778 2HB GLN 101 1HB GLN 101 -5.277 0.827 -9.769 779 1HG GLN 101 2HG GLN 101 -6.339 1.254 -11.767 780 2HG GLN 101 1HG GLN 101 -5.320 2.692 -11.688 781 1HE2 GLN 101 1HE2 GLN 101 -5.697 -0.462 -13.265 782 2HE2 GLN 101 2HE2 GLN 101 -4.546 -0.187 -14.481 783 H ILE 102 HN ILE 102 -3.712 1.374 -7.554 784 HA ILE 102 HA ILE 102 -5.593 3.455 -6.854 785 HB ILE 102 HB ILE 102 -3.920 1.734 -5.005 786 1HG1 ILE 102 2HG1 ILE 102 -5.107 0.300 -6.594 787 2HG1 ILE 102 1HG1 ILE 102 -5.904 0.214 -5.024 788 1HG2 ILE 102 1HG2 ILE 102 -6.699 2.784 -4.513 789 2HG2 ILE 102 2HG2 ILE 102 -5.293 3.798 -4.190 790 3HG2 ILE 102 3HG2 ILE 102 -5.489 2.265 -3.340 791 1HD1 ILE 102 1HD1 ILE 102 -6.901 1.303 -7.577 792 2HD1 ILE 102 2HD1 ILE 102 -7.221 2.321 -6.174 793 3HD1 ILE 102 3HD1 ILE 102 -7.797 0.655 -6.202 794 H PHE 103 HN PHE 103 -2.070 3.241 -6.820 795 HA PHE 103 HA PHE 103 -1.737 5.434 -4.944 796 1HB PHE 103 2HB PHE 103 0.145 4.190 -6.973 797 2HB PHE 103 1HB PHE 103 0.622 5.448 -5.838 798 HD1 PHE 103 HD1 PHE 103 1.391 2.323 -6.218 799 HD2 PHE 103 HD2 PHE 103 -0.963 4.585 -3.425 800 HE1 PHE 103 HE1 PHE 103 1.793 0.599 -4.481 801 HE2 PHE 103 HE2 PHE 103 -0.562 2.859 -1.691 802 HZ PHE 103 HZ PHE 103 0.815 0.867 -2.218 803 H THR 104 HN THR 104 -2.434 5.179 -8.336 804 HA THR 104 HA THR 104 -1.455 7.850 -9.002 805 HB THR 104 HB THR 104 -3.388 6.176 -10.614 806 HG1 THR 104 HG1 THR 104 -1.643 4.874 -10.141 807 1HG2 THR 104 1HG2 THR 104 -2.572 7.413 -12.467 808 2HG2 THR 104 2HG2 THR 104 -1.190 8.018 -11.555 809 3HG2 THR 104 3HG2 THR 104 -2.811 8.611 -11.195 810 H ALA 105 HN ALA 105 -4.737 6.390 -8.757 811 HA ALA 105 HA ALA 105 -6.114 8.876 -9.094 812 1HB ALA 105 1HB ALA 105 -7.978 7.596 -8.912 813 2HB ALA 105 2HB ALA 105 -7.471 6.929 -7.360 814 3HB ALA 105 3HB ALA 105 -6.867 6.227 -8.861 815 H PHE 106 HN PHE 106 -4.654 7.346 -6.297 816 HA PHE 106 HA PHE 106 -5.894 9.307 -4.460 817 1HB PHE 106 2HB PHE 106 -4.185 6.854 -4.112 818 2HB PHE 106 1HB PHE 106 -4.399 7.994 -2.783 819 HD1 PHE 106 HD1 PHE 106 -6.560 8.308 -1.722 820 HD2 PHE 106 HD2 PHE 106 -6.091 5.577 -4.997 821 HE1 PHE 106 HE1 PHE 106 -8.773 7.321 -1.220 822 HE2 PHE 106 HE2 PHE 106 -8.301 4.586 -4.490 823 HZ PHE 106 HZ PHE 106 -9.643 5.457 -2.599 824 H LYS 107 HN LYS 107 -3.146 9.142 -6.412 825 HA LYS 107 HA LYS 107 -1.083 10.209 -4.840 826 1HB LYS 107 2HB LYS 107 -0.072 11.012 -6.855 827 2HB LYS 107 1HB LYS 107 -0.933 9.533 -7.275 828 1HG LYS 107 2HG LYS 107 -2.913 11.139 -7.846 829 2HG LYS 107 1HG LYS 107 -1.666 12.384 -7.898 830 1HD LYS 107 2HD LYS 107 -0.464 11.245 -9.624 831 2HD LYS 107 1HD LYS 107 -1.434 9.785 -9.427 832 1HE LYS 107 2HE LYS 107 -3.188 10.625 -10.630 833 2HE LYS 107 1HE LYS 107 -2.939 12.269 -10.040 834 1HZ LYS 107 1HE LYS 107 -2.370 11.604 -12.497 835 2HZ LYS 107 2HE LYS 107 -0.905 11.104 -11.796 836 3HZ LYS 107 3HE LYS 107 -1.414 12.719 -11.648 837 H ASP 108 HN ASP 108 -3.842 11.994 -6.286 838 HA ASP 108 HA ASP 108 -2.853 14.603 -5.644 839 1HB ASP 108 2HB ASP 108 -4.881 13.799 -7.133 840 2HB ASP 108 1HB ASP 108 -5.786 13.993 -5.631 841 H ASP 109 HN ASP 109 -4.878 12.320 -3.793 842 HA ASP 109 HA ASP 109 -4.879 14.235 -1.512 843 1HB ASP 109 2HB ASP 109 -6.878 12.613 -2.557 844 2HB ASP 109 1HB ASP 109 -6.340 11.722 -1.134 845 H VAL 110 HN VAL 110 -2.679 13.872 -0.825 846 HA VAL 110 HA VAL 110 -2.263 11.182 0.419 847 HB VAL 110 HB VAL 110 -0.067 12.937 -0.698 848 1HG1 VAL 110 1HG1 VAL 110 0.708 11.422 1.009 849 2HG1 VAL 110 2HG1 VAL 110 1.179 10.742 -0.549 850 3HG1 VAL 110 3HG1 VAL 110 -0.213 10.087 0.316 851 1HG2 VAL 110 1HG2 VAL 110 -1.512 12.198 -2.525 852 2HG2 VAL 110 2HG2 VAL 110 -1.456 10.542 -1.936 853 3HG2 VAL 110 3HG2 VAL 110 0.003 11.307 -2.574 854 H ASP 111 HN ASP 111 -1.967 11.302 2.568 855 HA ASP 111 HA ASP 111 -1.213 13.948 3.744 856 1HB ASP 111 2HB ASP 111 -3.140 11.846 4.521 857 2HB ASP 111 1HB ASP 111 -2.177 12.487 5.852 858 H THR 112 HN THR 112 -0.464 10.510 3.691 859 HA THR 112 HA THR 112 2.136 11.115 4.968 860 HB THR 112 HB THR 112 0.478 8.831 6.035 861 HG1 THR 112 HG1 THR 112 -0.711 10.335 6.885 862 1HG2 THR 112 1HG2 THR 112 2.933 8.823 6.395 863 2HG2 THR 112 2HG2 THR 112 2.045 8.996 7.909 864 3HG2 THR 112 3HG2 THR 112 2.807 10.403 7.169 865 H LEU 113 HN LEU 113 3.724 9.973 3.958 866 HA LEU 113 HA LEU 113 2.879 7.720 2.188 867 1HB LEU 113 2HB LEU 113 5.310 9.526 2.121 868 2HB LEU 113 1HB LEU 113 5.120 8.116 1.084 869 HG LEU 113 HG LEU 113 2.887 10.102 1.176 870 1HD1 LEU 113 1HD1 LEU 113 3.987 11.770 0.096 871 2HD1 LEU 113 2HD1 LEU 113 4.919 10.641 -0.887 872 3HD1 LEU 113 3HD1 LEU 113 5.447 11.029 0.750 873 1HD2 LEU 113 1HD2 LEU 113 2.224 8.893 -0.609 874 2HD2 LEU 113 2HD2 LEU 113 3.570 7.797 -0.301 875 3HD2 LEU 113 3HD2 LEU 113 3.771 9.148 -1.415 876 H LEU 114 HN LEU 114 3.612 5.686 2.640 877 HA LEU 114 HA LEU 114 5.795 5.409 4.665 878 1HB LEU 114 2HB LEU 114 3.305 3.707 4.334 879 2HB LEU 114 1HB LEU 114 4.616 3.371 5.466 880 HG LEU 114 HG LEU 114 3.406 6.094 5.551 881 1HD1 LEU 114 1HD1 LEU 114 1.933 4.418 7.338 882 2HD1 LEU 114 2HD1 LEU 114 1.794 3.737 5.718 883 3HD1 LEU 114 3HD1 LEU 114 1.317 5.408 6.016 884 1HD2 LEU 114 1HD2 LEU 114 5.223 4.612 7.066 885 2HD2 LEU 114 2HD2 LEU 114 3.748 4.586 8.031 886 3HD2 LEU 114 3HD2 LEU 114 4.459 6.124 7.551 887 H VAL 115 HN VAL 115 7.423 4.948 3.225 888 HA VAL 115 HA VAL 115 6.943 2.684 1.329 889 HB VAL 115 HB VAL 115 7.493 4.901 0.317 890 1HG1 VAL 115 1HG1 VAL 115 10.341 4.770 0.844 891 2HG1 VAL 115 2HG1 VAL 115 9.436 4.956 2.346 892 3HG1 VAL 115 3HG1 VAL 115 9.233 6.127 1.046 893 1HG2 VAL 115 1HG2 VAL 115 9.311 3.989 -1.157 894 2HG2 VAL 115 2HG2 VAL 115 7.962 2.876 -0.928 895 3HG2 VAL 115 3HG2 VAL 115 9.468 2.631 -0.041 896 H THR 116 HN THR 116 8.300 0.941 1.312 897 HA THR 116 HA THR 116 10.379 0.831 3.456 898 HB THR 116 HB THR 116 9.300 -1.584 2.009 899 HG1 THR 116 HG1 THR 116 7.709 -1.715 3.632 900 1HG2 THR 116 1HG2 THR 116 9.870 -2.679 4.129 901 2HG2 THR 116 2HG2 THR 116 10.320 -1.122 4.823 902 3HG2 THR 116 3HG2 THR 116 11.262 -1.800 3.496 903 H ARG 117 HN ARG 117 12.442 1.009 2.681 904 HA ARG 117 HA ARG 117 12.926 0.313 -0.175 905 1HB ARG 117 2HB ARG 117 14.525 1.962 1.801 906 2HB ARG 117 1HB ARG 117 15.073 1.583 0.168 907 1HG ARG 117 2HG ARG 117 12.356 2.587 0.104 908 2HG ARG 117 1HG ARG 117 13.408 3.725 0.945 909 1HD ARG 117 2HD ARG 117 14.591 2.584 -1.499 910 2HD ARG 117 1HD ARG 117 13.154 3.566 -1.786 911 HE ARG 117 HE ARG 117 14.621 5.147 -0.090 912 1HH1 ARG 117 1HH2 ARG 117 15.345 3.438 -3.027 913 2HH1 ARG 117 2HH2 ARG 117 16.568 4.561 -3.513 914 1HH2 ARG 117 1HH1 ARG 117 16.205 6.600 -0.740 915 2HH2 ARG 117 2HH1 ARG 117 17.052 6.341 -2.228 916 H LEU 118 HN LEU 118 13.659 -1.725 -0.462 917 HA LEU 118 HA LEU 118 15.066 -3.154 1.681 918 1HB LEU 118 2HB LEU 118 14.372 -3.941 -1.166 919 2HB LEU 118 1HB LEU 118 15.138 -5.017 0.002 920 HG LEU 118 HG LEU 118 13.118 -4.380 1.536 921 1HD1 LEU 118 1HD1 LEU 118 11.715 -2.889 0.578 922 2HD1 LEU 118 2HD1 LEU 118 11.189 -4.211 -0.462 923 3HD1 LEU 118 3HD1 LEU 118 12.449 -3.107 -1.010 924 1HD2 LEU 118 1HD2 LEU 118 13.009 -6.604 1.002 925 2HD2 LEU 118 2HD2 LEU 118 13.343 -6.312 -0.705 926 3HD2 LEU 118 3HD2 LEU 118 11.714 -6.078 -0.074 927 H ALA 119 HN ALA 119 17.233 -4.085 1.351 928 HA ALA 119 HA ALA 119 19.021 -2.162 0.038 929 1HB ALA 119 1HB ALA 119 19.646 -4.732 1.524 930 2HB ALA 119 2HB ALA 119 19.609 -3.120 2.240 931 3HB ALA 119 3HB ALA 119 20.825 -3.519 1.026 932 H GLY 120 HN GLY 120 17.777 -5.393 -0.556 933 1HA GLY 120 2HA GLY 120 19.717 -6.096 -2.584 934 2HA GLY 120 1HA GLY 120 18.158 -6.884 -2.333 935 H SER 121 HN SER 121 19.029 -6.413 -4.922 936 HA SER 121 HA SER 121 17.267 -4.153 -5.788 937 1HB SER 121 2HB SER 121 19.629 -3.721 -6.329 938 2HB SER 121 1HB SER 121 19.737 -5.276 -7.149 939 HG SER 121 HG SER 121 19.009 -4.270 -8.833 940 H PHE 122 HN PHE 122 15.395 -5.023 -6.595 941 HA PHE 122 HA PHE 122 15.589 -7.617 -8.058 942 1HB PHE 122 2HB PHE 122 13.132 -6.306 -6.854 943 2HB PHE 122 1HB PHE 122 13.235 -7.931 -7.531 944 HD1 PHE 122 HD1 PHE 122 14.211 -9.753 -6.290 945 HD2 PHE 122 HD2 PHE 122 14.309 -5.751 -4.736 946 HE1 PHE 122 HE1 PHE 122 14.920 -10.627 -4.080 947 HE2 PHE 122 HE2 PHE 122 15.016 -6.624 -2.526 948 HZ PHE 122 HZ PHE 122 15.320 -9.063 -2.198 949 H GLU 123 HN GLU 123 14.112 -7.796 -9.957 950 HA GLU 123 HA GLU 123 13.700 -5.140 -11.272 951 1HB GLU 123 2HB GLU 123 14.152 -6.299 -13.442 952 2HB GLU 123 1HB GLU 123 15.549 -6.278 -12.367 953 1HG GLU 123 HG2 GLU 123 14.536 -8.596 -11.557 954 2HG GLU 123 HG1 GLU 123 13.799 -8.574 -13.158 955 H GLY 124 HN GLY 124 11.979 -5.255 -13.026 956 1HA GLY 124 2HA GLY 124 10.085 -7.377 -13.161 957 2HA GLY 124 1HA GLY 124 9.523 -6.204 -11.968 958 H ASP 125 HN ASP 125 7.743 -5.478 -13.298 959 HA ASP 125 HA ASP 125 8.614 -3.708 -15.523 960 1HB ASP 125 2HB ASP 125 7.442 -6.090 -16.077 961 2HB ASP 125 1HB ASP 125 6.006 -5.089 -15.858 962 H THR 126 HN THR 126 6.854 -4.191 -12.679 963 HA THR 126 HA THR 126 5.179 -1.767 -13.194 964 HB THR 126 HB THR 126 4.653 -3.620 -10.896 965 HG1 THR 126 HG1 THR 126 3.686 -4.044 -13.522 966 1HG2 THR 126 1HG2 THR 126 3.448 -1.335 -11.944 967 2HG2 THR 126 2HG2 THR 126 2.733 -2.447 -10.777 968 3HG2 THR 126 3HG2 THR 126 2.420 -2.655 -12.500 969 H LYS 127 HN LYS 127 5.888 0.013 -12.153 970 HA LYS 127 HA LYS 127 7.374 -0.356 -9.586 971 1HB LYS 127 2HB LYS 127 7.990 1.543 -11.866 972 2HB LYS 127 1HB LYS 127 8.722 1.667 -10.265 973 1HG LYS 127 2HG LYS 127 9.688 -0.550 -10.473 974 2HG LYS 127 1HG LYS 127 8.846 -0.815 -12.000 975 1HD LYS 127 2HD LYS 127 10.479 1.640 -11.931 976 2HD LYS 127 1HD LYS 127 11.408 0.148 -11.788 977 1HE LYS 127 2HE LYS 127 10.425 -0.726 -13.829 978 2HE LYS 127 1HE LYS 127 9.335 0.656 -13.940 979 1HZ LYS 127 1HE LYS 127 11.347 0.808 -15.367 980 2HZ LYS 127 2HE LYS 127 12.291 0.890 -13.957 981 3HZ LYS 127 3HE LYS 127 11.158 2.110 -14.296 982 H MET 128 HN MET 128 7.302 1.632 -8.214 983 HA MET 128 HA MET 128 4.625 2.531 -7.840 984 1HB MET 128 2HB MET 128 6.849 2.560 -6.306 985 2HB MET 128 1HB MET 128 6.818 4.249 -6.815 986 1HG MET 128 2HG MET 128 4.237 3.056 -5.929 987 2HG MET 128 1HG MET 128 5.438 3.384 -4.686 988 1HE MET 128 1HE MET 128 2.782 4.676 -4.457 989 2HE MET 128 2HE MET 128 3.154 6.372 -4.163 990 3HE MET 128 3HE MET 128 4.138 5.119 -3.408 991 H ILE 129 HN ILE 129 3.750 4.677 -8.102 992 HA ILE 129 HA ILE 129 4.407 5.891 -10.644 993 HB ILE 129 HB ILE 129 2.622 7.514 -9.992 994 1HG1 ILE 129 2HG1 ILE 129 2.025 5.972 -7.525 995 2HG1 ILE 129 1HG1 ILE 129 3.414 7.054 -7.435 996 1HG2 ILE 129 1HG2 ILE 129 0.838 5.941 -10.083 997 2HG2 ILE 129 2HG2 ILE 129 1.786 4.705 -9.256 998 3HG2 ILE 129 3HG2 ILE 129 2.184 5.160 -10.913 999 1HD1 ILE 129 1HD1 ILE 129 2.030 8.932 -8.195 1000 2HD1 ILE 129 2HD1 ILE 129 1.316 8.195 -6.760 1001 3HD1 ILE 129 3HD1 ILE 129 0.638 7.860 -8.353 1002 HA PRO 130 HA PRO 130 7.153 9.162 -9.474 1003 1HB PRO 130 2HB PRO 130 5.840 11.318 -10.780 1004 2HB PRO 130 1HB PRO 130 7.139 10.304 -11.422 1005 1HG PRO 130 2HG PRO 130 4.435 10.378 -12.262 1006 2HG PRO 130 1HG PRO 130 5.705 9.276 -12.810 1007 1HD PRO 130 2HD PRO 130 3.476 8.761 -10.997 1008 2HD PRO 130 1HD PRO 130 4.538 7.608 -11.819 1009 H LEU 131 HN LEU 131 6.823 9.458 -7.238 1010 HA LEU 131 HA LEU 131 4.594 11.179 -6.340 1011 1HB LEU 131 2HB LEU 131 6.546 9.339 -5.050 1012 2HB LEU 131 1HB LEU 131 5.981 10.700 -4.080 1013 HG LEU 131 HG LEU 131 4.107 8.859 -5.580 1014 1HD1 LEU 131 1HD1 LEU 131 5.109 7.414 -4.006 1015 2HD1 LEU 131 2HD1 LEU 131 3.669 8.002 -3.174 1016 3HD1 LEU 131 3HD1 LEU 131 5.249 8.686 -2.793 1017 1HD2 LEU 131 1HD2 LEU 131 2.901 10.783 -5.087 1018 2HD2 LEU 131 2HD2 LEU 131 3.853 11.135 -3.646 1019 3HD2 LEU 131 3HD2 LEU 131 2.639 9.857 -3.609 1020 H ASN 132 HN ASN 132 5.008 13.121 -5.065 1021 HA ASN 132 HA ASN 132 7.411 14.555 -6.036 1022 1HB ASN 132 2HB ASN 132 4.780 15.312 -5.818 1023 2HB ASN 132 1HB ASN 132 5.478 16.025 -4.365 1024 1HD2 ASN 132 1HD2 ASN 132 7.278 17.582 -4.665 1025 2HD2 ASN 132 2HD2 ASN 132 7.497 18.358 -6.159 1026 H TRP 133 HN TRP 133 8.649 13.084 -4.437 1027 HA TRP 133 HA TRP 133 8.476 13.257 -1.643 1028 1HB TRP 133 2HB TRP 133 11.013 13.172 -3.306 1029 2HB TRP 133 1HB TRP 133 10.880 12.724 -1.605 1030 HD1 TRP 133 HD1 TRP 133 10.068 11.512 -5.103 1031 HE1 TRP 133 HE1 TRP 133 9.253 9.069 -4.984 1032 HE3 TRP 133 HE3 TRP 133 9.672 10.960 -0.044 1033 HZ2 TRP 133 HZ2 TRP 133 8.533 7.139 -3.005 1034 HZ3 TRP 133 HZ3 TRP 133 8.921 8.809 0.930 1035 HH2 TRP 133 HH2 TRP 133 8.351 6.900 -0.543 1036 H ASP 134 HN ASP 134 9.709 15.631 -3.916 1037 HA ASP 134 HA ASP 134 11.122 17.270 -2.036 1038 1HB ASP 134 2HB ASP 134 10.800 17.329 -4.741 1039 2HB ASP 134 1HB ASP 134 9.750 18.662 -4.257 1040 H ASP 135 HN ASP 135 7.713 16.903 -2.739 1041 HA ASP 135 HA ASP 135 7.018 19.373 -1.275 1042 1HB ASP 135 2HB ASP 135 5.615 17.439 -3.020 1043 2HB ASP 135 1HB ASP 135 4.642 18.105 -1.709 1044 H PHE 136 HN PHE 136 7.701 16.153 -0.507 1045 HA PHE 136 HA PHE 136 6.090 16.354 2.011 1046 1HB PHE 136 2HB PHE 136 7.008 13.948 0.426 1047 2HB PHE 136 1HB PHE 136 6.455 13.820 2.094 1048 HD1 PHE 136 HD1 PHE 136 5.387 15.410 -1.137 1049 HD2 PHE 136 HD2 PHE 136 4.197 13.371 2.452 1050 HE1 PHE 136 HE1 PHE 136 3.040 15.376 -1.933 1051 HE2 PHE 136 HE2 PHE 136 1.852 13.337 1.654 1052 HZ PHE 136 HZ PHE 136 1.274 14.340 -0.537 1053 H THR 137 HN THR 137 7.180 15.283 3.907 1054 HA THR 137 HA THR 137 10.157 15.363 3.725 1055 HB THR 137 HB THR 137 8.700 16.527 6.096 1056 HG1 THR 137 HG1 THR 137 8.035 17.902 4.596 1057 1HG2 THR 137 1HG2 THR 137 11.473 16.870 4.921 1058 2HG2 THR 137 2HG2 THR 137 11.061 15.974 6.383 1059 3HG2 THR 137 3HG2 THR 137 10.867 17.726 6.340 1060 H LYS 138 HN LYS 138 11.092 13.629 4.762 1061 HA LYS 138 HA LYS 138 9.392 11.594 5.918 1062 1HB LYS 138 2HB LYS 138 11.510 11.113 4.680 1063 2HB LYS 138 1HB LYS 138 12.412 11.830 6.013 1064 1HG LYS 138 2HG LYS 138 10.526 9.904 7.047 1065 2HG LYS 138 1HG LYS 138 11.516 9.154 5.794 1066 1HD LYS 138 2HD LYS 138 12.732 10.831 7.992 1067 2HD LYS 138 1HD LYS 138 12.451 9.101 8.189 1068 1HE LYS 138 2HE LYS 138 14.069 8.522 6.651 1069 2HE LYS 138 1HE LYS 138 13.829 9.984 5.695 1070 1HZ LYS 138 1HE LYS 138 15.934 9.682 7.196 1071 2HZ LYS 138 2HE LYS 138 14.894 10.257 8.410 1072 3HZ LYS 138 3HE LYS 138 15.194 11.198 7.028 1073 H VAL 139 HN VAL 139 8.642 11.611 7.975 1074 HA VAL 139 HA VAL 139 10.009 13.331 9.974 1075 HB VAL 139 HB VAL 139 7.928 12.929 11.323 1076 1HG1 VAL 139 1HG1 VAL 139 7.653 14.019 8.509 1077 2HG1 VAL 139 2HG1 VAL 139 8.050 14.925 9.969 1078 3HG1 VAL 139 3HG1 VAL 139 6.437 14.243 9.766 1079 1HG2 VAL 139 1HG2 VAL 139 6.459 11.930 8.969 1080 2HG2 VAL 139 2HG2 VAL 139 6.325 11.456 10.662 1081 3HG2 VAL 139 3HG2 VAL 139 7.595 10.766 9.652 1082 H SER 140 HN SER 140 9.474 9.970 9.208 1083 HA SER 140 HA SER 140 11.110 9.241 11.567 1084 1HB SER 140 2HB SER 140 8.242 8.652 11.264 1085 2HB SER 140 1HB SER 140 9.227 7.240 11.632 1086 HG SER 140 HG SER 140 9.348 9.706 13.036 1087 H SER 141 HN SER 141 12.357 7.414 11.216 1088 HA SER 141 HA SER 141 11.793 5.663 8.928 1089 1HB SER 141 2HB SER 141 13.039 7.350 7.774 1090 2HB SER 141 1HB SER 141 14.239 7.436 9.059 1091 HG SER 141 HG SER 141 14.259 5.897 6.924 1092 H ARG 142 HN ARG 142 12.603 3.593 9.296 1093 HA ARG 142 HA ARG 142 14.554 3.275 11.535 1094 1HB ARG 142 2HB ARG 142 12.178 2.783 12.251 1095 2HB ARG 142 1HB ARG 142 12.149 1.492 11.051 1096 1HG ARG 142 2HG ARG 142 13.019 0.151 12.644 1097 2HG ARG 142 1HG ARG 142 14.524 1.050 12.444 1098 1HD ARG 142 2HD ARG 142 13.263 2.761 14.071 1099 2HD ARG 142 1HD ARG 142 12.445 1.281 14.571 1100 HE ARG 142 HE ARG 142 15.112 0.574 14.608 1101 1HH1 ARG 142 1HH2 ARG 142 13.235 3.160 15.965 1102 2HH1 ARG 142 2HH2 ARG 142 14.270 3.346 17.339 1103 1HH2 ARG 142 1HH1 ARG 142 16.446 0.822 16.400 1104 2HH2 ARG 142 2HH1 ARG 142 16.078 2.029 17.586 1105 H THR 143 HN THR 143 16.219 1.851 11.011 1106 HA THR 143 HA THR 143 15.938 0.379 8.428 1107 HB THR 143 HB THR 143 18.508 0.985 9.909 1108 HG1 THR 143 HG1 THR 143 18.219 2.960 9.316 1109 1HG2 THR 143 1HG2 THR 143 18.698 -0.751 8.229 1110 2HG2 THR 143 2HG2 THR 143 19.439 0.718 7.594 1111 3HG2 THR 143 3HG2 THR 143 17.832 0.236 7.053 1112 H VAL 144 HN VAL 144 15.898 -1.835 8.524 1113 HA VAL 144 HA VAL 144 16.764 -3.107 11.094 1114 HB VAL 144 HB VAL 144 14.594 -4.137 9.250 1115 1HG1 VAL 144 1HG1 VAL 144 16.014 -5.242 11.457 1116 2HG1 VAL 144 2HG1 VAL 144 14.640 -5.935 10.597 1117 3HG1 VAL 144 3HG1 VAL 144 14.371 -4.910 12.007 1118 1HG2 VAL 144 1HG2 VAL 144 13.496 -2.265 10.021 1119 2HG2 VAL 144 2HG2 VAL 144 14.521 -2.124 11.451 1120 3HG2 VAL 144 3HG2 VAL 144 13.223 -3.317 11.410 1121 H GLU 145 HN GLU 145 18.387 -4.575 10.846 1122 HA GLU 145 HA GLU 145 19.211 -5.349 8.128 1123 1HB GLU 145 2HB GLU 145 20.408 -5.320 10.824 1124 2HB GLU 145 1HB GLU 145 20.853 -6.727 9.859 1125 1HG GLU 145 HG2 GLU 145 20.922 -4.182 8.372 1126 2HG GLU 145 HG1 GLU 145 22.083 -4.275 9.697 1127 H ASP 146 HN ASP 146 19.513 -7.628 7.548 1128 HA ASP 146 HA ASP 146 17.925 -9.558 9.167 1129 1HB ASP 146 2HB ASP 146 16.850 -8.353 6.936 1130 2HB ASP 146 1HB ASP 146 17.530 -9.834 6.262 1131 H THR 147 HN THR 147 18.434 -11.812 8.641 1132 HA THR 147 HA THR 147 21.207 -12.308 8.238 1133 HB THR 147 HB THR 147 20.379 -14.718 7.848 1134 HG1 THR 147 HG1 THR 147 18.281 -13.919 7.123 1135 1HG2 THR 147 1HG2 THR 147 20.277 -13.013 10.210 1136 2HG2 THR 147 2HG2 THR 147 20.860 -14.670 10.051 1137 3HG2 THR 147 3HG2 THR 147 19.145 -14.361 10.324 1138 H ASN 148 HN ASN 148 18.661 -11.777 5.982 1139 HA ASN 148 HA ASN 148 20.292 -12.919 3.763 1140 1HB ASN 148 2HB ASN 148 17.724 -13.350 4.095 1141 2HB ASN 148 1HB ASN 148 17.558 -11.753 3.374 1142 1HD2 ASN 148 1HD2 ASN 148 19.539 -14.708 2.726 1143 2HD2 ASN 148 2HD2 ASN 148 19.284 -14.680 1.048 1144 HA PRO 149 HA PRO 149 22.064 -8.929 2.912 1145 1HB PRO 149 2HB PRO 149 22.196 -9.668 0.109 1146 2HB PRO 149 1HB PRO 149 23.514 -9.486 1.272 1147 1HG PRO 149 2HG PRO 149 22.355 -11.904 0.255 1148 2HG PRO 149 1HG PRO 149 23.722 -11.717 1.362 1149 1HD PRO 149 2HD PRO 149 21.196 -12.743 2.014 1150 2HD PRO 149 1HD PRO 149 22.451 -12.245 3.158 1151 H ALA 150 HN ALA 150 19.756 -10.209 0.483 1152 HA ALA 150 HA ALA 150 18.974 -7.519 -0.314 1153 1HB ALA 150 1HB ALA 150 18.868 -9.132 -2.037 1154 2HB ALA 150 2HB ALA 150 17.184 -8.834 -1.611 1155 3HB ALA 150 3HB ALA 150 17.999 -10.283 -1.022 1156 H LEU 151 HN LEU 151 17.704 -9.899 1.972 1157 HA LEU 151 HA LEU 151 15.075 -8.730 2.136 1158 1HB LEU 151 2HB LEU 151 16.607 -10.436 4.109 1159 2HB LEU 151 1HB LEU 151 14.920 -9.971 4.310 1160 HG LEU 151 HG LEU 151 15.980 -11.439 1.879 1161 1HD1 LEU 151 1HD1 LEU 151 15.866 -12.541 4.345 1162 2HD1 LEU 151 2HD1 LEU 151 15.509 -13.449 2.876 1163 3HD1 LEU 151 3HD1 LEU 151 14.193 -12.780 3.840 1164 1HD2 LEU 151 1HD2 LEU 151 13.122 -11.447 2.744 1165 2HD2 LEU 151 2HD2 LEU 151 13.800 -11.479 1.117 1166 3HD2 LEU 151 3HD2 LEU 151 13.737 -9.966 2.016 1167 H THR 152 HN THR 152 17.993 -7.351 2.983 1168 HA THR 152 HA THR 152 17.305 -6.135 5.511 1169 HB THR 152 HB THR 152 19.075 -4.897 3.387 1170 HG1 THR 152 HG1 THR 152 19.849 -6.931 3.586 1171 1HG2 THR 152 1HG2 THR 152 18.336 -3.981 5.852 1172 2HG2 THR 152 2HG2 THR 152 19.858 -3.572 5.062 1173 3HG2 THR 152 3HG2 THR 152 19.804 -4.876 6.248 1174 H HIS 153 HN HIS 153 16.173 -4.152 5.862 1175 HA HIS 153 HA HIS 153 15.332 -2.590 3.514 1176 1HB HIS 153 2HB HIS 153 12.891 -2.872 4.098 1177 2HB HIS 153 1HB HIS 153 13.658 -4.312 3.429 1178 HD1 HIS 153 HD1 HIS 153 14.360 -6.196 5.182 1179 HD2 HIS 153 HD2 HIS 153 11.933 -3.174 6.722 1180 HE1 HIS 153 HE1 HIS 153 13.453 -7.057 7.385 1181 H THR 154 HN THR 154 14.177 -0.651 4.082 1182 HA THR 154 HA THR 154 14.406 0.133 6.954 1183 HB THR 154 HB THR 154 14.955 2.006 4.641 1184 HG1 THR 154 HG1 THR 154 16.483 0.332 4.607 1185 1HG2 THR 154 1HG2 THR 154 14.366 2.947 6.876 1186 2HG2 THR 154 2HG2 THR 154 16.001 3.366 6.365 1187 3HG2 THR 154 3HG2 THR 154 15.749 2.096 7.561 1188 H TYR 155 HN TYR 155 12.756 1.641 7.624 1189 HA TYR 155 HA TYR 155 10.429 1.739 5.750 1190 1HB TYR 155 2HB TYR 155 10.532 2.033 8.770 1191 2HB TYR 155 1HB TYR 155 9.069 2.113 7.792 1192 HD1 TYR 155 HD1 TYR 155 8.672 0.051 6.181 1193 HD2 TYR 155 HD2 TYR 155 11.184 -0.018 9.665 1194 HE1 TYR 155 HE1 TYR 155 8.468 -2.419 6.280 1195 HE2 TYR 155 HE2 TYR 155 10.982 -2.488 9.763 1196 HH TYR 155 HH TYR 155 9.653 -4.326 7.187 1197 H GLU 156 HN GLU 156 10.033 3.742 4.858 1198 HA GLU 156 HA GLU 156 11.103 6.115 6.329 1199 1HB GLU 156 2HB GLU 156 10.876 5.441 3.420 1200 2HB GLU 156 1HB GLU 156 10.775 7.128 3.913 1201 1HG GLU 156 HG2 GLU 156 12.933 6.964 5.047 1202 2HG GLU 156 HG1 GLU 156 13.028 5.245 4.659 1203 H VAL 157 HN VAL 157 9.548 7.407 7.190 1204 HA VAL 157 HA VAL 157 6.791 7.249 6.048 1205 HB VAL 157 HB VAL 157 7.685 8.167 8.799 1206 1HG1 VAL 157 1HG1 VAL 157 5.112 8.136 7.345 1207 2HG1 VAL 157 2HG1 VAL 157 5.620 9.122 8.715 1208 3HG1 VAL 157 3HG1 VAL 157 5.048 7.475 8.978 1209 1HG2 VAL 157 1HG2 VAL 157 6.364 5.933 9.335 1210 2HG2 VAL 157 2HG2 VAL 157 8.073 5.879 8.899 1211 3HG2 VAL 157 3HG2 VAL 157 6.842 5.513 7.690 1212 H TRP 158 HN TRP 158 6.094 9.069 4.988 1213 HA TRP 158 HA TRP 158 7.495 11.641 5.611 1214 1HB TRP 158 2HB TRP 158 6.251 10.737 3.000 1215 2HB TRP 158 1HB TRP 158 6.952 12.323 3.286 1216 HD1 TRP 158 HD1 TRP 158 8.107 8.638 3.677 1217 HE1 TRP 158 HE1 TRP 158 10.558 8.498 2.885 1218 HE3 TRP 158 HE3 TRP 158 8.948 13.530 2.502 1219 HZ2 TRP 158 HZ2 TRP 158 12.604 10.226 1.894 1220 HZ3 TRP 158 HZ3 TRP 158 11.153 14.259 1.637 1221 HH2 TRP 158 HH2 TRP 158 12.982 12.614 1.332 1222 H GLN 159 HN GLN 159 6.135 13.583 5.248 1223 HA GLN 159 HA GLN 159 3.205 13.112 5.520 1224 1HB GLN 159 2HB GLN 159 5.015 14.637 7.390 1225 2HB GLN 159 1HB GLN 159 3.329 15.118 7.203 1226 1HG GLN 159 2HG GLN 159 3.748 12.218 7.584 1227 2HG GLN 159 1HG GLN 159 4.190 13.216 8.970 1228 1HE2 GLN 159 1HE2 GLN 159 2.429 13.195 10.381 1229 2HE2 GLN 159 2HE2 GLN 159 0.812 13.420 9.918 1230 H LYS 160 HN LYS 160 1.976 14.780 4.420 1231 HA LYS 160 HA LYS 160 3.510 16.345 2.520 1232 1HB LYS 160 2HB LYS 160 1.126 15.308 2.277 1233 2HB LYS 160 1HB LYS 160 0.590 16.775 3.097 1234 1HG LYS 160 2HG LYS 160 1.665 18.160 1.389 1235 2HG LYS 160 1HG LYS 160 2.283 16.718 0.583 1236 1HD LYS 160 2HD LYS 160 0.250 16.187 -0.323 1237 2HD LYS 160 1HD LYS 160 -0.644 16.779 1.078 1238 1HE LYS 160 2HE LYS 160 0.789 18.672 -0.785 1239 2HE LYS 160 1HE LYS 160 -0.856 18.128 -1.113 1240 1HZ LYS 160 1HE LYS 160 -1.687 19.301 0.606 1241 2HZ LYS 160 2HE LYS 160 -0.304 20.256 0.359 1242 3HZ LYS 160 3HE LYS 160 -0.319 19.080 1.585 1243 H LYS 161 HN LYS 161 4.141 18.439 2.691 1244 HA LYS 161 HA LYS 161 3.509 19.881 5.199 1245 1HB LYS 161 2HB LYS 161 5.434 20.526 2.944 1246 2HB LYS 161 1HB LYS 161 5.268 21.461 4.431 1247 1HG LYS 161 2HG LYS 161 5.806 18.504 4.565 1248 2HG LYS 161 1HG LYS 161 7.133 19.633 4.291 1249 1HD LYS 161 2HD LYS 161 7.206 19.903 6.532 1250 2HD LYS 161 1HD LYS 161 5.695 20.798 6.376 1251 1HE LYS 161 2HE LYS 161 4.727 18.273 6.341 1252 2HE LYS 161 1HE LYS 161 6.163 18.025 7.334 1253 1HZ LYS 161 1HE LYS 161 4.812 20.394 8.110 1254 2HZ LYS 161 2HE LYS 161 5.181 19.018 9.035 1255 3HZ LYS 161 3HE LYS 161 3.742 19.079 8.136 1256 H ALA 162 HN ALA 162 3.074 22.288 4.945 1257 HA ALA 162 HA ALA 162 1.502 22.900 2.483 1258 1HB ALA 162 1HB ALA 162 0.278 22.213 4.857 1259 2HB ALA 162 2HB ALA 162 -0.459 23.187 3.585 1260 3HB ALA 162 3HB ALA 162 0.324 23.973 4.955 1261 AH51 NDP 168 AH51 NDP 168 -6.150 -1.359 -8.238 1262 AH52 NDP 168 AH52 NDP 168 -6.022 -0.393 -9.710 1263 AH4* NDP 168 AH4* NDP 168 -7.797 -2.846 -9.534 1264 AH3* NDP 168 AH3* NDP 168 -7.528 -0.632 -11.576 1265 AHO3 NDP 168 AHO3 NDP 168 -7.888 -2.530 -12.898 1266 AH2* NDP 168 AH2* NDP 168 -9.882 -0.854 -11.980 1267 AH1* NDP 168 AH1* NDP 168 -10.618 -0.949 -9.325 1268 AH8 NDP 168 AH8 NDP 168 -7.638 1.288 -10.271 1269 AH61 NDP 168 AH61 NDP 168 -11.807 5.879 -10.194 1270 AH62 NDP 168 AH62 NDP 168 -10.108 5.486 -10.230 1271 AH2 NDP 168 AH2 NDP 168 -13.997 2.003 -9.590 1272 NH51 NDP 168 NH51 NDP 168 -1.492 -4.537 -9.785 1273 NH52 NDP 168 NH52 NDP 168 -1.404 -3.596 -8.291 1274 NH4* NDP 168 NH4* NDP 168 0.959 -4.846 -9.781 1275 NH3* NDP 168 NH3* NDP 168 -0.421 -5.720 -7.229 1276 NHO3 NDP 168 NHO3 NDP 168 0.655 -7.031 -9.538 1277 NH2* NDP 168 NH2* NDP 168 1.732 -6.504 -6.497 1278 NHO2 NDP 168 NHO2 NDP 168 3.207 -7.165 -7.833 1279 NH1* NDP 168 NH1* NDP 168 3.135 -4.273 -7.384 1280 NH2 NDP 168 NH2 NDP 168 3.636 -3.125 -5.354 1281 NH71 NDP 168 NH71 NDP 168 5.016 -2.534 -4.549 1282 NH72 NDP 168 NH72 NDP 168 5.488 -1.895 -2.994 1283 NH41 NDP 168 NH41 NDP 168 0.489 -2.182 -3.115 1284 NH42 NDP 168 NH42 NDP 168 1.056 -3.715 -2.375 1285 NH5 NDP 168 NH5 NDP 168 -0.980 -4.083 -3.749 1286 NH6 NDP 168 NH6 NDP 168 -0.256 -4.993 -6.013 1287 H1 TRR 170 H1 TRR 170 4.768 -5.232 1.730 1288 1H2 TRR 170 1H2 TRR 170 4.866 -1.857 2.852 1289 2H2 TRR 170 2H2 TRR 170 5.701 -3.350 2.863 1290 1H4 TRR 170 1H4 TRR 170 0.012 -2.825 -0.254 1291 2H4 TRR 170 2H4 TRR 170 0.667 -1.478 0.550 1292 H6 TRR 170 H6 TRR 170 3.073 -6.325 0.408 1293 1H7 TRR 170 1H7 TRR 170 0.972 -4.884 -1.567 1294 2H7 TRR 170 2H7 TRR 170 -0.145 -4.724 -0.213 1295 H12 TRR 170 H12 TRR 170 1.364 -6.977 -2.427 1296 H16 TRR 170 H16 TRR 170 0.106 -6.565 1.676 1297 1H17 TRR 170 1H17 TRR 170 2.195 -9.777 -4.311 1298 2H17 TRR 170 2H17 TRR 170 2.395 -8.234 -3.496 1299 3H17 TRR 170 3H17 TRR 170 0.842 -8.662 -4.196 1300 1H18 TRR 170 1H18 TRR 170 2.542 -10.822 0.526 1301 2H18 TRR 170 2H18 TRR 170 2.108 -11.916 -0.779 1302 3H18 TRR 170 3H18 TRR 170 1.638 -12.289 0.873 1303 1H19 TRR 170 1H19 TRR 170 -1.018 -7.528 2.945 1304 2H19 TRR 170 2H19 TRR 170 0.501 -7.970 3.709 1305 3H19 TRR 170 3H19 TRR 170 -0.945 -8.924 4.010 Start of MODEL 22 1 1H THR 1 1H THR 1 -5.755 11.281 3.258 2 2H THR 1 2H THR 1 -4.730 10.609 4.434 3 3H THR 1 3H THR 1 -6.345 10.096 4.317 4 HA THR 1 HA THR 1 -5.607 8.427 3.074 5 HB THR 1 HB THR 1 -4.804 10.495 1.029 6 HG1 THR 1 HG1 THR 1 -7.383 9.688 1.876 7 1HG2 THR 1 1HG2 THR 1 -6.277 8.580 -0.225 8 2HG2 THR 1 2HG2 THR 1 -5.554 7.632 1.074 9 3HG2 THR 1 3HG2 THR 1 -4.523 8.509 -0.056 10 H ALA 2 HN ALA 2 -3.810 7.174 3.137 11 HA ALA 2 HA ALA 2 -1.162 8.544 2.907 12 1HB ALA 2 1HB ALA 2 -1.607 7.999 5.261 13 2HB ALA 2 2HB ALA 2 -0.305 6.988 4.633 14 3HB ALA 2 3HB ALA 2 -1.926 6.321 4.822 15 H PHE 3 HN PHE 3 0.527 7.249 2.003 16 HA PHE 3 HA PHE 3 -0.479 5.001 0.326 17 1HB PHE 3 2HB PHE 3 1.840 6.911 0.125 18 2HB PHE 3 1HB PHE 3 1.943 5.350 -0.679 19 HD1 PHE 3 HD1 PHE 3 -1.153 5.233 -1.250 20 HD2 PHE 3 HD2 PHE 3 1.872 8.187 -1.941 21 HE1 PHE 3 HE1 PHE 3 -2.462 6.119 -3.148 22 HE2 PHE 3 HE2 PHE 3 0.562 9.079 -3.843 23 HZ PHE 3 HZ PHE 3 -1.604 8.042 -4.447 24 H LEU 4 HN LEU 4 0.231 2.895 0.774 25 HA LEU 4 HA LEU 4 2.590 2.658 2.585 26 1HB LEU 4 2HB LEU 4 0.617 2.368 3.988 27 2HB LEU 4 1HB LEU 4 -0.067 1.215 2.845 28 HG LEU 4 HG LEU 4 1.750 -0.355 3.274 29 1HD1 LEU 4 1HD1 LEU 4 2.807 1.901 4.999 30 2HD1 LEU 4 2HD1 LEU 4 3.622 1.090 3.662 31 3HD1 LEU 4 3HD1 LEU 4 3.356 0.235 5.181 32 1HD2 LEU 4 1HD2 LEU 4 1.238 -0.892 5.607 33 2HD2 LEU 4 2HD2 LEU 4 -0.226 -0.328 4.803 34 3HD2 LEU 4 3HD2 LEU 4 0.657 0.750 5.884 35 H TRP 5 HN TRP 5 3.961 1.900 0.936 36 HA TRP 5 HA TRP 5 3.212 -0.767 -0.139 37 1HB TRP 5 2HB TRP 5 3.855 -0.215 -2.377 38 2HB TRP 5 1HB TRP 5 2.742 1.036 -1.844 39 HD1 TRP 5 HD1 TRP 5 6.050 0.575 -3.361 40 HE1 TRP 5 HE1 TRP 5 7.352 2.798 -3.413 41 HE3 TRP 5 HE3 TRP 5 3.181 3.353 -0.174 42 HZ2 TRP 5 HZ2 TRP 5 7.197 5.409 -2.259 43 HZ3 TRP 5 HZ3 TRP 5 3.784 5.702 0.332 44 HH2 TRP 5 HH2 TRP 5 5.787 6.733 -0.705 45 H ALA 6 HN ALA 6 5.308 -1.583 -1.443 46 HA ALA 6 HA ALA 6 7.732 -0.936 0.164 47 1HB ALA 6 1HB ALA 6 7.494 -2.944 1.199 48 2HB ALA 6 2HB ALA 6 7.950 -3.656 -0.349 49 3HB ALA 6 3HB ALA 6 6.247 -3.467 0.067 50 H GLN 7 HN GLN 7 9.505 -0.710 -1.133 51 HA GLN 7 HA GLN 7 9.428 -1.921 -3.853 52 1HB GLN 7 2HB GLN 7 10.347 0.290 -4.734 53 2HB GLN 7 1HB GLN 7 8.640 0.279 -4.300 54 1HG GLN 7 2HG GLN 7 8.955 1.840 -2.705 55 2HG GLN 7 1HG GLN 7 10.295 0.935 -2.001 56 1HE2 GLN 7 1HE2 GLN 7 9.620 2.994 -4.894 57 2HE2 GLN 7 2HE2 GLN 7 11.149 3.732 -4.901 58 H ASP 8 HN ASP 8 11.541 -2.092 -4.850 59 HA ASP 8 HA ASP 8 13.649 -2.540 -2.862 60 1HB ASP 8 2HB ASP 8 14.916 -3.474 -4.746 61 2HB ASP 8 1HB ASP 8 13.280 -4.131 -4.728 62 H ARG 9 HN ARG 9 15.957 -1.878 -4.167 63 HA ARG 9 HA ARG 9 16.211 0.903 -3.620 64 1HB ARG 9 2HB ARG 9 18.434 0.746 -4.669 65 2HB ARG 9 1HB ARG 9 18.140 -0.622 -3.599 66 1HG ARG 9 2HG ARG 9 18.810 -1.863 -5.381 67 2HG ARG 9 1HG ARG 9 17.167 -1.593 -5.960 68 1HD ARG 9 2HD ARG 9 17.954 -0.427 -7.711 69 2HD ARG 9 1HD ARG 9 18.760 0.699 -6.627 70 HE ARG 9 HE ARG 9 20.000 -1.800 -7.697 71 1HH1 ARG 9 1HH1 ARG 9 20.220 1.365 -6.257 72 2HH1 ARG 9 2HH1 ARG 9 21.940 1.432 -6.410 73 1HH2 ARG 9 1HH2 ARG 9 22.231 -1.683 -7.881 74 2HH2 ARG 9 2HH2 ARG 9 23.071 -0.277 -7.320 75 H ASP 10 HN ASP 10 15.713 -0.784 -6.747 76 HA ASP 10 HA ASP 10 15.895 1.624 -8.328 77 1HB ASP 10 2HB ASP 10 14.791 -1.141 -8.800 78 2HB ASP 10 1HB ASP 10 14.554 0.137 -9.993 79 H GLY 11 HN GLY 11 13.263 -0.056 -6.704 80 1HA GLY 11 2HA GLY 11 11.371 1.314 -5.875 81 2HA GLY 11 1HA GLY 11 11.516 2.289 -7.332 82 H LEU 12 HN LEU 12 11.548 -1.265 -7.199 83 HA LEU 12 HA LEU 12 9.246 -1.281 -9.078 84 1HB LEU 12 2HB LEU 12 11.146 -2.701 -9.679 85 2HB LEU 12 1HB LEU 12 11.101 -3.482 -8.102 86 HG LEU 12 HG LEU 12 8.620 -4.077 -8.780 87 1HD1 LEU 12 1HD1 LEU 12 9.554 -4.355 -11.534 88 2HD1 LEU 12 2HD1 LEU 12 9.391 -2.671 -11.045 89 3HD1 LEU 12 3HD1 LEU 12 8.009 -3.762 -10.925 90 1HD2 LEU 12 1HD2 LEU 12 11.189 -5.341 -9.698 91 2HD2 LEU 12 2HD2 LEU 12 9.641 -6.073 -10.125 92 3HD2 LEU 12 3HD2 LEU 12 10.084 -5.871 -8.429 93 H ILE 13 HN ILE 13 7.333 -2.656 -8.556 94 HA ILE 13 HA ILE 13 7.132 -3.331 -5.672 95 HB ILE 13 HB ILE 13 4.669 -2.498 -5.902 96 1HG1 ILE 13 2HG1 ILE 13 5.539 -0.300 -7.601 97 2HG1 ILE 13 1HG1 ILE 13 5.608 -1.827 -8.473 98 1HG2 ILE 13 1HG2 ILE 13 6.946 -1.460 -4.807 99 2HG2 ILE 13 2HG2 ILE 13 5.346 -0.738 -4.634 100 3HG2 ILE 13 3HG2 ILE 13 6.453 -0.144 -5.873 101 1HD1 ILE 13 1HD1 ILE 13 3.369 -1.814 -8.694 102 2HD1 ILE 13 2HD1 ILE 13 3.301 -0.275 -7.837 103 3HD1 ILE 13 3HD1 ILE 13 3.187 -1.788 -6.939 104 H GLY 14 HN GLY 14 5.144 -3.523 -8.668 105 1HA GLY 14 2HA GLY 14 4.222 -6.188 -7.843 106 2HA GLY 14 1HA GLY 14 3.670 -5.296 -9.258 107 H LYS 15 HN LYS 15 4.722 -8.115 -8.853 108 HA LYS 15 HA LYS 15 6.631 -8.036 -11.142 109 1HB LYS 15 2HB LYS 15 7.629 -8.420 -8.694 110 2HB LYS 15 1HB LYS 15 7.093 -10.069 -9.003 111 1HG LYS 15 2HG LYS 15 8.321 -9.343 -11.387 112 2HG LYS 15 1HG LYS 15 9.348 -8.603 -10.160 113 1HD LYS 15 2HD LYS 15 9.959 -10.632 -9.244 114 2HD LYS 15 1HD LYS 15 8.445 -11.413 -9.700 115 1HE LYS 15 2HE LYS 15 9.462 -12.277 -11.509 116 2HE LYS 15 1HE LYS 15 9.735 -10.643 -12.114 117 1HZ LYS 15 1HE LYS 15 11.561 -12.452 -10.771 118 2HZ LYS 15 2HE LYS 15 11.654 -10.830 -10.274 119 3HZ LYS 15 3HE LYS 15 11.878 -11.235 -11.909 120 H ASP 16 HN ASP 16 4.782 -8.775 -12.454 121 HA ASP 16 HA ASP 16 3.389 -10.389 -13.370 122 1HB ASP 16 2HB ASP 16 5.577 -12.097 -12.166 123 2HB ASP 16 1HB ASP 16 4.312 -12.742 -13.213 124 H GLY 17 HN GLY 17 2.069 -9.522 -11.200 125 1HA GLY 17 2HA GLY 17 0.251 -10.335 -9.938 126 2HA GLY 17 1HA GLY 17 0.837 -11.978 -10.190 127 H HIS 18 HN HIS 18 2.621 -12.712 -8.856 128 HA HIS 18 HA HIS 18 2.367 -11.819 -6.112 129 1HB HIS 18 2HB HIS 18 4.034 -13.571 -5.631 130 2HB HIS 18 1HB HIS 18 2.758 -14.183 -6.683 131 HD1 HIS 18 HD1 HIS 18 6.398 -13.664 -6.508 132 HD2 HIS 18 HD2 HIS 18 3.586 -14.336 -9.512 133 HE1 HIS 18 HE1 HIS 18 7.700 -14.349 -8.569 134 H LEU 19 HN LEU 19 3.983 -10.891 -4.789 135 HA LEU 19 HA LEU 19 5.509 -8.771 -5.869 136 1HB LEU 19 2HB LEU 19 5.511 -10.259 -3.272 137 2HB LEU 19 1HB LEU 19 6.880 -9.202 -3.616 138 HG LEU 19 HG LEU 19 4.090 -8.180 -4.043 139 1HD1 LEU 19 1HD1 LEU 19 3.750 -7.683 -1.790 140 2HD1 LEU 19 2HD1 LEU 19 5.464 -7.815 -1.398 141 3HD1 LEU 19 3HD1 LEU 19 4.508 -9.271 -1.677 142 1HD2 LEU 19 1HD2 LEU 19 6.772 -6.985 -3.292 143 2HD2 LEU 19 2HD2 LEU 19 5.273 -6.058 -3.335 144 3HD2 LEU 19 3HD2 LEU 19 5.903 -6.785 -4.812 145 HA PRO 20 HA PRO 20 9.180 -10.730 -7.409 146 1HB PRO 20 2HB PRO 20 10.954 -8.608 -6.800 147 2HB PRO 20 1HB PRO 20 10.051 -8.842 -8.304 148 1HG PRO 20 2HG PRO 20 9.680 -6.792 -6.411 149 2HG PRO 20 1HG PRO 20 8.643 -7.159 -7.790 150 1HD PRO 20 2HD PRO 20 8.251 -7.790 -4.927 151 2HD PRO 20 1HD PRO 20 7.049 -7.632 -6.227 152 H TRP 21 HN TRP 21 9.332 -9.339 -4.154 153 HA TRP 21 HA TRP 21 11.448 -11.350 -3.493 154 1HB TRP 21 2HB TRP 21 12.174 -9.719 -1.731 155 2HB TRP 21 1HB TRP 21 12.356 -9.089 -3.369 156 HD1 TRP 21 HD1 TRP 21 9.968 -8.883 -0.359 157 HE1 TRP 21 HE1 TRP 21 8.662 -6.666 -0.504 158 HE3 TRP 21 HE3 TRP 21 11.649 -7.164 -4.866 159 HZ2 TRP 21 HZ2 TRP 21 8.369 -4.456 -2.292 160 HZ3 TRP 21 HZ3 TRP 21 10.838 -5.000 -5.763 161 HH2 TRP 21 HH2 TRP 21 9.202 -3.651 -4.482 162 H HIS 22 HN HIS 22 11.106 -12.576 -1.641 163 HA HIS 22 HA HIS 22 8.413 -12.356 -0.408 164 1HB HIS 22 2HB HIS 22 9.501 -14.567 -1.268 165 2HB HIS 22 1HB HIS 22 10.449 -14.493 0.218 166 HD1 HIS 22 HD1 HIS 22 7.673 -16.217 -0.844 167 HD2 HIS 22 HD2 HIS 22 8.232 -13.675 2.412 168 HE1 HIS 22 HE1 HIS 22 5.860 -16.787 0.830 169 H LEU 23 HN LEU 23 8.565 -10.707 1.123 170 HA LEU 23 HA LEU 23 10.699 -11.035 3.194 171 1HB LEU 23 2HB LEU 23 10.933 -8.987 1.728 172 2HB LEU 23 1HB LEU 23 9.390 -8.428 2.372 173 HG LEU 23 HG LEU 23 10.379 -8.619 4.688 174 1HD1 LEU 23 1HD1 LEU 23 12.626 -9.113 5.025 175 2HD1 LEU 23 2HD1 LEU 23 13.080 -8.635 3.389 176 3HD1 LEU 23 3HD1 LEU 23 12.264 -10.172 3.663 177 1HD2 LEU 23 1HD2 LEU 23 10.525 -6.571 2.877 178 2HD2 LEU 23 2HD2 LEU 23 12.227 -6.776 3.286 179 3HD2 LEU 23 3HD2 LEU 23 11.051 -6.437 4.556 180 HA PRO 24 HA PRO 24 6.889 -11.747 5.570 181 1HB PRO 24 2HB PRO 24 8.487 -12.653 7.748 182 2HB PRO 24 1HB PRO 24 7.548 -13.635 6.617 183 1HG PRO 24 2HG PRO 24 10.376 -13.429 6.815 184 2HG PRO 24 1HG PRO 24 9.433 -14.359 5.644 185 1HD PRO 24 2HD PRO 24 10.897 -11.890 5.240 186 2HD PRO 24 1HD PRO 24 10.118 -12.930 4.038 187 H ASP 25 HN ASP 25 9.904 -10.301 6.803 188 HA ASP 25 HA ASP 25 8.767 -8.974 9.056 189 1HB ASP 25 2HB ASP 25 11.283 -9.249 8.165 190 2HB ASP 25 1HB ASP 25 10.961 -7.627 7.551 191 H ASP 26 HN ASP 26 8.675 -8.240 5.641 192 HA ASP 26 HA ASP 26 7.869 -5.456 6.023 193 1HB ASP 26 2HB ASP 26 9.000 -5.989 3.969 194 2HB ASP 26 1HB ASP 26 7.878 -7.300 3.619 195 H LEU 27 HN LEU 27 6.257 -8.562 5.410 196 HA LEU 27 HA LEU 27 3.630 -7.573 4.956 197 1HB LEU 27 2HB LEU 27 4.744 -10.144 6.046 198 2HB LEU 27 1HB LEU 27 3.005 -9.856 6.112 199 HG LEU 27 HG LEU 27 4.519 -9.414 3.548 200 1HD1 LEU 27 1HD1 LEU 27 3.930 -11.979 4.898 201 2HD1 LEU 27 2HD1 LEU 27 5.095 -11.617 3.624 202 3HD1 LEU 27 3HD1 LEU 27 3.399 -11.886 3.218 203 1HD2 LEU 27 1HD2 LEU 27 2.027 -8.768 4.118 204 2HD2 LEU 27 2HD2 LEU 27 1.729 -10.488 3.866 205 3HD2 LEU 27 3HD2 LEU 27 2.402 -9.508 2.562 206 H HIS 28 HN HIS 28 5.310 -8.396 7.990 207 HA HIS 28 HA HIS 28 3.128 -7.842 9.749 208 1HB HIS 28 2HB HIS 28 6.114 -7.567 10.219 209 2HB HIS 28 1HB HIS 28 4.887 -7.562 11.486 210 HD1 HIS 28 HD1 HIS 28 3.072 -9.831 10.616 211 HD2 HIS 28 HD2 HIS 28 7.228 -10.095 10.440 212 HE1 HIS 28 HE1 HIS 28 3.633 -12.300 10.622 213 H TYR 29 HN TYR 29 5.674 -5.772 8.388 214 HA TYR 29 HA TYR 29 4.978 -3.395 9.840 215 1HB TYR 29 2HB TYR 29 7.093 -3.802 8.464 216 2HB TYR 29 1HB TYR 29 6.111 -3.482 7.034 217 HD1 TYR 29 HD1 TYR 29 7.203 -2.023 10.289 218 HD2 TYR 29 HD2 TYR 29 5.591 -1.265 6.380 219 HE1 TYR 29 HE1 TYR 29 7.465 0.416 10.654 220 HE2 TYR 29 HE2 TYR 29 5.852 1.175 6.746 221 HH TYR 29 HH TYR 29 6.084 2.611 9.463 222 H PHE 30 HN PHE 30 3.853 -4.807 6.811 223 HA PHE 30 HA PHE 30 2.205 -2.591 6.002 224 1HB PHE 30 2HB PHE 30 2.865 -4.341 4.415 225 2HB PHE 30 1HB PHE 30 1.976 -5.546 5.347 226 HD1 PHE 30 HD1 PHE 30 1.328 -2.111 3.978 227 HD2 PHE 30 HD2 PHE 30 -0.099 -6.127 4.479 228 HE1 PHE 30 HE1 PHE 30 -0.753 -1.521 2.765 229 HE2 PHE 30 HE2 PHE 30 -2.179 -5.542 3.263 230 HZ PHE 30 HZ PHE 30 -2.502 -3.238 2.407 231 H ARG 31 HN ARG 31 1.454 -5.630 7.734 232 HA ARG 31 HA ARG 31 -1.328 -5.060 8.102 233 1HB ARG 31 2HB ARG 31 0.293 -7.209 8.605 234 2HB ARG 31 1HB ARG 31 0.007 -6.606 10.237 235 1HG ARG 31 2HG ARG 31 -2.373 -6.770 9.974 236 2HG ARG 31 1HG ARG 31 -2.221 -7.077 8.243 237 1HD ARG 31 2HD ARG 31 -2.629 -9.199 9.329 238 2HD ARG 31 1HD ARG 31 -0.944 -9.177 8.808 239 HE ARG 31 HE ARG 31 -0.983 -8.192 11.450 240 1HH1 ARG 31 1HH2 ARG 31 -1.783 -11.089 9.715 241 2HH1 ARG 31 2HH2 ARG 31 -1.437 -12.128 11.055 242 1HH2 ARG 31 1HH1 ARG 31 -0.536 -9.552 13.186 243 2HH2 ARG 31 2HH1 ARG 31 -0.734 -11.263 13.011 244 H ALA 32 HN ALA 32 1.285 -4.925 10.540 245 HA ALA 32 HA ALA 32 -0.075 -3.639 12.596 246 1HB ALA 32 1HB ALA 32 2.741 -2.830 11.900 247 2HB ALA 32 2HB ALA 32 2.383 -4.459 12.473 248 3HB ALA 32 3HB ALA 32 2.023 -3.067 13.494 249 H GLN 33 HN GLN 33 1.421 -2.100 9.752 250 HA GLN 33 HA GLN 33 0.874 0.593 10.659 251 1HB GLN 33 2HB GLN 33 1.683 -0.635 8.033 252 2HB GLN 33 1HB GLN 33 1.243 1.071 8.125 253 1HG GLN 33 2HG GLN 33 3.122 0.111 10.212 254 2HG GLN 33 1HG GLN 33 3.761 0.164 8.569 255 1HE2 GLN 33 1HE2 GLN 33 1.291 2.380 9.915 256 2HE2 GLN 33 2HE2 GLN 33 2.245 3.777 9.785 257 H THR 34 HN THR 34 -1.110 -1.841 9.254 258 HA THR 34 HA THR 34 -3.157 0.252 8.618 259 HB THR 34 HB THR 34 -4.085 -1.351 6.960 260 HG1 THR 34 HG1 THR 34 -2.384 -3.000 8.205 261 1HG2 THR 34 1HG2 THR 34 -2.379 0.407 6.375 262 2HG2 THR 34 2HG2 THR 34 -2.392 -0.980 5.285 263 3HG2 THR 34 3HG2 THR 34 -1.138 -0.837 6.517 264 H VAL 35 HN VAL 35 -2.690 -1.190 11.199 265 HA VAL 35 HA VAL 35 -4.961 -3.050 11.385 266 HB VAL 35 HB VAL 35 -4.367 -3.086 13.828 267 1HG1 VAL 35 1HG1 VAL 35 -3.327 -4.556 11.996 268 2HG1 VAL 35 2HG1 VAL 35 -2.434 -4.429 13.511 269 3HG1 VAL 35 3HG1 VAL 35 -1.923 -3.497 12.105 270 1HG2 VAL 35 1HG2 VAL 35 -1.777 -1.872 13.597 271 2HG2 VAL 35 2HG2 VAL 35 -3.094 -1.439 14.686 272 3HG2 VAL 35 3HG2 VAL 35 -2.990 -0.695 13.091 273 H GLY 36 HN GLY 36 -6.996 -2.368 11.725 274 1HA GLY 36 2HA GLY 36 -8.786 -1.102 12.591 275 2HA GLY 36 1HA GLY 36 -7.620 -0.216 13.573 276 H LYS 37 HN LYS 37 -6.758 -0.258 10.267 277 HA LYS 37 HA LYS 37 -7.922 2.482 9.929 278 1HB LYS 37 2HB LYS 37 -5.281 1.320 9.026 279 2HB LYS 37 1HB LYS 37 -5.938 2.807 8.345 280 1HG LYS 37 2HG LYS 37 -5.056 3.931 10.084 281 2HG LYS 37 1HG LYS 37 -6.181 3.083 11.143 282 1HD LYS 37 2HD LYS 37 -4.517 1.859 12.042 283 2HD LYS 37 1HD LYS 37 -3.958 1.356 10.448 284 1HE LYS 37 2HE LYS 37 -2.165 2.691 10.687 285 2HE LYS 37 1HE LYS 37 -3.237 4.089 10.744 286 1HZ LYS 37 1HE LYS 37 -1.686 3.593 12.730 287 2HZ LYS 37 2HE LYS 37 -2.857 2.434 13.147 288 3HZ LYS 37 3HE LYS 37 -3.285 4.074 13.028 289 H ILE 38 HN ILE 38 -8.346 3.058 7.565 290 HA ILE 38 HA ILE 38 -9.671 0.779 6.275 291 HB ILE 38 HB ILE 38 -9.383 3.697 5.504 292 1HG1 ILE 38 2HG1 ILE 38 -12.057 2.608 5.905 293 2HG1 ILE 38 1HG1 ILE 38 -11.048 2.368 7.330 294 1HG2 ILE 38 1HG2 ILE 38 -10.794 1.418 4.099 295 2HG2 ILE 38 2HG2 ILE 38 -9.567 2.494 3.433 296 3HG2 ILE 38 3HG2 ILE 38 -11.177 3.113 3.800 297 1HD1 ILE 38 1HD1 ILE 38 -10.552 4.713 7.473 298 2HD1 ILE 38 2HD1 ILE 38 -12.298 4.570 7.275 299 3HD1 ILE 38 3HD1 ILE 38 -11.289 5.025 5.902 300 H MET 39 HN MET 39 -8.645 -0.553 4.886 301 HA MET 39 HA MET 39 -6.069 0.355 3.694 302 1HB MET 39 2HB MET 39 -6.235 -1.791 5.079 303 2HB MET 39 1HB MET 39 -7.166 -2.463 3.741 304 1HG MET 39 2HG MET 39 -5.171 -1.638 2.267 305 2HG MET 39 1HG MET 39 -4.283 -1.610 3.790 306 1HE MET 39 1HE MET 39 -4.021 -5.059 5.039 307 2HE MET 39 2HE MET 39 -5.479 -4.170 5.469 308 3HE MET 39 3HE MET 39 -3.951 -3.312 5.306 309 H VAL 40 HN VAL 40 -6.385 1.223 1.680 310 HA VAL 40 HA VAL 40 -8.585 0.211 -0.009 311 HB VAL 40 HB VAL 40 -6.561 2.369 -0.661 312 1HG1 VAL 40 1HG1 VAL 40 -8.860 3.055 -1.899 313 2HG1 VAL 40 2HG1 VAL 40 -9.058 1.303 -1.873 314 3HG1 VAL 40 3HG1 VAL 40 -7.648 2.019 -2.653 315 1HG2 VAL 40 1HG2 VAL 40 -9.255 2.569 0.726 316 2HG2 VAL 40 2HG2 VAL 40 -8.329 3.948 0.132 317 3HG2 VAL 40 3HG2 VAL 40 -7.685 2.948 1.435 318 H VAL 41 HN VAL 41 -8.202 -1.504 -1.280 319 HA VAL 41 HA VAL 41 -5.461 -1.834 -2.433 320 HB VAL 41 HB VAL 41 -5.980 -4.279 -2.513 321 1HG1 VAL 41 1HG1 VAL 41 -5.856 -4.618 -0.004 322 2HG1 VAL 41 2HG1 VAL 41 -6.073 -2.877 0.169 323 3HG1 VAL 41 3HG1 VAL 41 -4.653 -3.510 -0.664 324 1HG2 VAL 41 1HG2 VAL 41 -8.050 -4.358 -0.549 325 2HG2 VAL 41 2HG2 VAL 41 -8.103 -4.954 -2.208 326 3HG2 VAL 41 3HG2 VAL 41 -8.590 -3.301 -1.851 327 H GLY 42 HN GLY 42 -5.726 -3.445 -4.432 328 1HA GLY 42 2HA GLY 42 -7.920 -2.322 -6.128 329 2HA GLY 42 1HA GLY 42 -6.334 -2.765 -6.755 330 H ARG 43 HN ARG 43 -9.135 -3.775 -7.367 331 HA ARG 43 HA ARG 43 -9.727 -6.310 -6.448 332 1HB ARG 43 2HB ARG 43 -11.029 -5.095 -8.173 333 2HB ARG 43 1HB ARG 43 -9.773 -5.460 -9.356 334 1HG ARG 43 2HG ARG 43 -10.746 -7.813 -7.870 335 2HG ARG 43 1HG ARG 43 -11.968 -7.043 -8.882 336 1HD ARG 43 2HD ARG 43 -9.203 -7.771 -9.882 337 2HD ARG 43 1HD ARG 43 -10.606 -8.826 -10.051 338 HE ARG 43 HE ARG 43 -11.056 -6.131 -11.079 339 1HH1 ARG 43 1HH2 ARG 43 -9.847 -9.320 -11.745 340 2HH1 ARG 43 2HH2 ARG 43 -10.099 -9.184 -13.450 341 1HH2 ARG 43 1HH1 ARG 43 -11.370 -5.968 -13.296 342 2HH2 ARG 43 2HH1 ARG 43 -10.956 -7.298 -14.326 343 H ARG 44 HN ARG 44 -6.932 -5.435 -8.390 344 HA ARG 44 HA ARG 44 -6.365 -8.178 -9.207 345 1HB ARG 44 2HB ARG 44 -4.808 -5.592 -9.262 346 2HB ARG 44 1HB ARG 44 -4.057 -7.124 -9.706 347 1HG ARG 44 2HG ARG 44 -6.656 -6.210 -10.942 348 2HG ARG 44 1HG ARG 44 -5.094 -5.742 -11.613 349 1HD ARG 44 2HD ARG 44 -4.785 -8.460 -11.238 350 2HD ARG 44 1HD ARG 44 -6.476 -8.328 -11.724 351 HE ARG 44 HE ARG 44 -4.553 -6.839 -13.388 352 1HH1 ARG 44 1HH1 ARG 44 -6.440 -9.717 -12.892 353 2HH1 ARG 44 2HH1 ARG 44 -6.396 -10.169 -14.560 354 1HH2 ARG 44 1HH2 ARG 44 -4.503 -7.446 -15.549 355 2HH2 ARG 44 2HH2 ARG 44 -5.306 -8.895 -16.055 356 H THR 45 HN THR 45 -5.183 -5.962 -6.679 357 HA THR 45 HA THR 45 -3.284 -7.849 -5.588 358 HB THR 45 HB THR 45 -4.603 -5.581 -4.084 359 HG1 THR 45 HG1 THR 45 -2.511 -5.568 -5.991 360 1HG2 THR 45 1HG2 THR 45 -2.283 -7.363 -3.705 361 2HG2 THR 45 2HG2 THR 45 -3.215 -6.458 -2.513 362 3HG2 THR 45 3HG2 THR 45 -1.946 -5.656 -3.433 363 H TYR 46 HN TYR 46 -6.556 -6.835 -4.506 364 HA TYR 46 HA TYR 46 -6.763 -8.545 -2.269 365 1HB TYR 46 2HB TYR 46 -8.439 -6.763 -3.371 366 2HB TYR 46 1HB TYR 46 -9.174 -8.237 -4.001 367 HD1 TYR 46 HD1 TYR 46 -10.272 -9.831 -2.528 368 HD2 TYR 46 HD2 TYR 46 -8.262 -6.388 -0.933 369 HE1 TYR 46 HE1 TYR 46 -11.349 -10.212 -0.324 370 HE2 TYR 46 HE2 TYR 46 -9.333 -6.775 1.265 371 HH TYR 46 HH TYR 46 -10.395 -8.459 2.521 372 H GLU 47 HN GLU 47 -7.399 -9.225 -5.702 373 HA GLU 47 HA GLU 47 -8.307 -11.934 -5.258 374 1HB GLU 47 2HB GLU 47 -7.530 -10.271 -7.601 375 2HB GLU 47 1HB GLU 47 -7.422 -12.020 -7.805 376 1HG GLU 47 HG2 GLU 47 -9.773 -12.208 -6.952 377 2HG GLU 47 HG1 GLU 47 -9.864 -10.447 -6.935 378 H SER 48 HN SER 48 -5.207 -10.423 -5.313 379 HA SER 48 HA SER 48 -3.816 -13.022 -5.707 380 1HB SER 48 2HB SER 48 -2.898 -11.114 -6.936 381 2HB SER 48 1HB SER 48 -2.750 -10.193 -5.443 382 HG SER 48 HG SER 48 -1.489 -12.689 -5.946 383 H PHE 49 HN PHE 49 -4.889 -10.901 -3.231 384 HA PHE 49 HA PHE 49 -3.074 -11.068 -1.156 385 1HB PHE 49 2HB PHE 49 -5.910 -10.682 -1.408 386 2HB PHE 49 1HB PHE 49 -5.602 -11.721 -0.019 387 HD1 PHE 49 HD1 PHE 49 -4.874 -10.805 2.005 388 HD2 PHE 49 HD2 PHE 49 -4.495 -8.517 -1.606 389 HE1 PHE 49 HE1 PHE 49 -4.158 -8.843 3.328 390 HE2 PHE 49 HE2 PHE 49 -3.774 -6.549 -0.281 391 HZ PHE 49 HZ PHE 49 -3.603 -6.711 2.187 392 HA PRO 50 HA PRO 50 -2.734 -15.377 -0.027 393 1HB PRO 50 2HB PRO 50 -1.755 -14.977 2.526 394 2HB PRO 50 1HB PRO 50 -0.783 -14.866 1.051 395 1HG PRO 50 2HG PRO 50 -1.567 -12.754 2.858 396 2HG PRO 50 1HG PRO 50 -0.463 -12.682 1.479 397 1HD PRO 50 2HD PRO 50 -3.236 -11.809 1.647 398 2HD PRO 50 1HD PRO 50 -2.045 -11.495 0.374 399 H LYS 51 HN LYS 51 -3.735 -13.509 2.868 400 HA LYS 51 HA LYS 51 -6.018 -15.418 3.174 401 1HB LYS 51 2HB LYS 51 -4.298 -14.233 5.376 402 2HB LYS 51 1HB LYS 51 -5.702 -15.272 5.620 403 1HG LYS 51 2HG LYS 51 -3.590 -16.288 3.785 404 2HG LYS 51 1HG LYS 51 -3.198 -16.249 5.505 405 1HD LYS 51 2HD LYS 51 -5.865 -17.340 4.725 406 2HD LYS 51 1HD LYS 51 -4.448 -18.341 4.406 407 1HE LYS 51 2HE LYS 51 -4.954 -17.058 7.097 408 2HE LYS 51 1HE LYS 51 -5.547 -18.668 6.689 409 1HZ LYS 51 1HE LYS 51 -3.539 -19.520 7.005 410 2HZ LYS 51 2HE LYS 51 -3.047 -18.020 7.632 411 3HZ LYS 51 3HE LYS 51 -2.806 -18.377 5.989 412 H ARG 52 HN ARG 52 -7.683 -14.094 2.518 413 HA ARG 52 HA ARG 52 -7.919 -11.455 3.905 414 1HB ARG 52 2HB ARG 52 -9.355 -10.787 1.925 415 2HB ARG 52 1HB ARG 52 -7.652 -11.035 1.548 416 1HG ARG 52 2HG ARG 52 -8.468 -13.515 1.052 417 2HG ARG 52 1HG ARG 52 -10.020 -12.715 0.813 418 1HD ARG 52 2HD ARG 52 -9.007 -11.202 -0.833 419 2HD ARG 52 1HD ARG 52 -7.434 -11.942 -0.563 420 HE ARG 52 HE ARG 52 -8.114 -13.784 -1.890 421 1HH1 ARG 52 1HH1 ARG 52 -10.804 -11.763 -1.055 422 2HH1 ARG 52 2HH1 ARG 52 -11.880 -12.544 -2.159 423 1HH2 ARG 52 1HH2 ARG 52 -9.515 -14.790 -3.313 424 2HH2 ARG 52 2HH2 ARG 52 -11.158 -14.251 -3.429 425 HA PRO 53 HA PRO 53 -9.299 -9.973 4.246 426 1HB PRO 53 2HB PRO 53 -10.881 -9.137 6.364 427 2HB PRO 53 1HB PRO 53 -11.311 -8.981 4.654 428 1HG PRO 53 2HG PRO 53 -12.522 -10.657 6.654 429 2HG PRO 53 1HG PRO 53 -13.001 -10.433 4.965 430 1HD PRO 53 2HD PRO 53 -11.497 -12.637 6.180 431 2HD PRO 53 1HD PRO 53 -12.296 -12.561 4.599 432 H LEU 54 HN LEU 54 -8.450 -8.670 6.221 433 HA LEU 54 HA LEU 54 -6.734 -10.434 7.786 434 1HB LEU 54 2HB LEU 54 -7.116 -7.432 7.780 435 2HB LEU 54 1HB LEU 54 -5.905 -8.263 8.756 436 HG LEU 54 HG LEU 54 -5.985 -8.953 5.866 437 1HD1 LEU 54 1HD1 LEU 54 -4.803 -6.957 5.186 438 2HD1 LEU 54 2HD1 LEU 54 -4.770 -6.352 6.842 439 3HD1 LEU 54 3HD1 LEU 54 -6.300 -6.452 5.968 440 1HD2 LEU 54 1HD2 LEU 54 -3.464 -8.737 6.303 441 2HD2 LEU 54 2HD2 LEU 54 -4.301 -10.002 7.203 442 3HD2 LEU 54 3HD2 LEU 54 -3.885 -8.482 7.996 443 HA PRO 55 HA PRO 55 -8.932 -10.842 11.582 444 1HB PRO 55 2HB PRO 55 -6.702 -10.169 13.265 445 2HB PRO 55 1HB PRO 55 -7.342 -11.771 12.878 446 1HG PRO 55 2HG PRO 55 -4.905 -10.637 12.003 447 2HG PRO 55 1HG PRO 55 -5.617 -12.177 11.506 448 1HD PRO 55 2HD PRO 55 -5.409 -9.713 10.000 449 2HD PRO 55 1HD PRO 55 -5.949 -11.305 9.454 450 H GLU 56 HN GLU 56 -10.361 -9.179 11.843 451 HA GLU 56 HA GLU 56 -11.250 -7.141 12.618 452 1HB GLU 56 2HB GLU 56 -8.907 -7.668 14.415 453 2HB GLU 56 1HB GLU 56 -9.774 -6.138 14.554 454 1HG GLU 56 HG2 GLU 56 -11.835 -7.237 15.047 455 2HG GLU 56 HG1 GLU 56 -11.191 -8.809 14.570 456 H ARG 57 HN ARG 57 -10.097 -6.694 10.260 457 HA ARG 57 HA ARG 57 -8.716 -4.077 10.654 458 1HB ARG 57 2HB ARG 57 -7.800 -6.421 9.058 459 2HB ARG 57 1HB ARG 57 -7.551 -4.819 8.365 460 1HG ARG 57 2HG ARG 57 -5.661 -4.783 9.615 461 2HG ARG 57 1HG ARG 57 -6.743 -4.443 10.965 462 1HD ARG 57 2HD ARG 57 -6.940 -7.162 10.814 463 2HD ARG 57 1HD ARG 57 -5.268 -6.917 10.311 464 HE ARG 57 HE ARG 57 -5.903 -5.371 12.673 465 1HH1 ARG 57 1HH2 ARG 57 -5.076 -8.524 11.489 466 2HH1 ARG 57 2HH2 ARG 57 -4.332 -9.015 12.972 467 1HH2 ARG 57 1HH1 ARG 57 -4.934 -6.018 14.597 468 2HH2 ARG 57 2HH1 ARG 57 -4.252 -7.606 14.723 469 H THR 58 HN THR 58 -9.404 -2.471 9.239 470 HA THR 58 HA THR 58 -11.798 -3.106 7.636 471 HB THR 58 HB THR 58 -10.467 -0.405 7.933 472 HG1 THR 58 HG1 THR 58 -12.490 -1.512 9.577 473 1HG2 THR 58 1HG2 THR 58 -12.136 -0.252 6.301 474 2HG2 THR 58 2HG2 THR 58 -13.008 0.189 7.769 475 3HG2 THR 58 3HG2 THR 58 -13.165 -1.437 7.104 476 H ASN 59 HN ASN 59 -11.481 -3.788 5.579 477 HA ASN 59 HA ASN 59 -9.251 -2.538 4.022 478 1HB ASN 59 2HB ASN 59 -10.304 -5.381 3.915 479 2HB ASN 59 1HB ASN 59 -9.141 -4.709 2.770 480 1HD2 ASN 59 1HD2 ASN 59 -9.587 -5.245 6.305 481 2HD2 ASN 59 2HD2 ASN 59 -7.932 -5.420 6.634 482 H VAL 60 HN VAL 60 -9.794 -1.794 1.954 483 HA VAL 60 HA VAL 60 -12.626 -2.221 1.109 484 HB VAL 60 HB VAL 60 -10.936 0.246 0.608 485 1HG1 VAL 60 1HG1 VAL 60 -13.278 1.177 0.131 486 2HG1 VAL 60 2HG1 VAL 60 -13.820 -0.502 0.104 487 3HG1 VAL 60 3HG1 VAL 60 -12.619 0.057 -1.061 488 1HG2 VAL 60 1HG2 VAL 60 -13.185 -0.139 2.609 489 2HG2 VAL 60 2HG2 VAL 60 -12.258 1.338 2.343 490 3HG2 VAL 60 3HG2 VAL 60 -11.474 -0.084 3.031 491 H VAL 61 HN VAL 61 -12.866 -2.978 -0.967 492 HA VAL 61 HA VAL 61 -10.377 -3.420 -2.522 493 HB VAL 61 HB VAL 61 -13.142 -4.492 -3.122 494 1HG1 VAL 61 1HG1 VAL 61 -11.817 -4.947 -4.974 495 2HG1 VAL 61 2HG1 VAL 61 -11.503 -6.377 -3.992 496 3HG1 VAL 61 3HG1 VAL 61 -10.338 -5.053 -4.020 497 1HG2 VAL 61 1HG2 VAL 61 -12.651 -6.429 -1.795 498 2HG2 VAL 61 2HG2 VAL 61 -12.327 -5.035 -0.765 499 3HG2 VAL 61 3HG2 VAL 61 -10.990 -5.901 -1.522 500 H LEU 62 HN LEU 62 -10.181 -2.731 -4.689 501 HA LEU 62 HA LEU 62 -12.214 -0.702 -5.541 502 1HB LEU 62 2HB LEU 62 -9.333 -0.553 -5.334 503 2HB LEU 62 1HB LEU 62 -9.832 -0.294 -7.004 504 HG LEU 62 HG LEU 62 -11.521 1.368 -6.164 505 1HD1 LEU 62 1HD1 LEU 62 -11.391 2.149 -3.889 506 2HD1 LEU 62 2HD1 LEU 62 -9.959 1.169 -3.576 507 3HD1 LEU 62 3HD1 LEU 62 -11.522 0.391 -3.820 508 1HD2 LEU 62 1HD2 LEU 62 -9.040 1.833 -6.901 509 2HD2 LEU 62 2HD2 LEU 62 -8.792 2.190 -5.192 510 3HD2 LEU 62 3HD2 LEU 62 -9.962 3.122 -6.127 511 H THR 63 HN THR 63 -13.389 -1.404 -7.243 512 HA THR 63 HA THR 63 -12.023 -2.958 -9.379 513 HB THR 63 HB THR 63 -12.925 -4.650 -7.824 514 HG1 THR 63 HG1 THR 63 -12.997 -4.995 -10.105 515 1HG2 THR 63 1HG2 THR 63 -15.103 -4.651 -7.053 516 2HG2 THR 63 2HG2 THR 63 -15.715 -3.802 -8.470 517 3HG2 THR 63 3HG2 THR 63 -14.850 -2.915 -7.217 518 H HIS 64 HN HIS 64 -13.316 -3.099 -11.357 519 HA HIS 64 HA HIS 64 -15.149 -0.767 -11.626 520 1HB HIS 64 2HB HIS 64 -13.246 -2.176 -13.432 521 2HB HIS 64 1HB HIS 64 -14.718 -1.548 -14.173 522 HD1 HIS 64 HD1 HIS 64 -15.185 1.074 -13.782 523 HD2 HIS 64 HD2 HIS 64 -11.337 -0.231 -12.847 524 HE1 HIS 64 HE1 HIS 64 -13.740 3.149 -13.640 525 H GLN 65 HN GLN 65 -15.416 -3.985 -11.006 526 HA GLN 65 HA GLN 65 -17.406 -4.766 -12.969 527 1HB GLN 65 2HB GLN 65 -16.364 -5.905 -10.394 528 2HB GLN 65 1HB GLN 65 -17.857 -6.548 -11.077 529 1HG GLN 65 2HG GLN 65 -16.001 -7.867 -11.916 530 2HG GLN 65 1HG GLN 65 -16.644 -6.901 -13.245 531 1HE2 GLN 65 1HE2 GLN 65 -13.891 -7.275 -11.053 532 2HE2 GLN 65 2HE2 GLN 65 -12.870 -6.190 -11.865 533 H GLU 66 HN GLU 66 -19.634 -5.549 -12.016 534 HA GLU 66 HA GLU 66 -20.709 -3.313 -10.345 535 1HB GLU 66 2HB GLU 66 -22.898 -3.808 -11.490 536 2HB GLU 66 1HB GLU 66 -21.642 -3.218 -12.578 537 1HG GLU 66 HG2 GLU 66 -21.843 -6.171 -12.186 538 2HG GLU 66 HG1 GLU 66 -23.091 -5.391 -13.157 539 H ASP 67 HN ASP 67 -20.577 -6.786 -10.821 540 HA ASP 67 HA ASP 67 -22.356 -7.158 -8.455 541 1HB ASP 67 2HB ASP 67 -21.952 -8.623 -10.936 542 2HB ASP 67 1HB ASP 67 -21.763 -9.677 -9.535 543 H TYR 68 HN TYR 68 -19.599 -6.277 -8.132 544 HA TYR 68 HA TYR 68 -17.841 -8.445 -7.505 545 1HB TYR 68 2HB TYR 68 -17.363 -5.875 -7.641 546 2HB TYR 68 1HB TYR 68 -17.834 -5.872 -5.941 547 HD1 TYR 68 HD1 TYR 68 -15.496 -7.419 -8.395 548 HD2 TYR 68 HD2 TYR 68 -16.370 -6.686 -4.254 549 HE1 TYR 68 HE1 TYR 68 -13.257 -8.281 -7.770 550 HE2 TYR 68 HE2 TYR 68 -14.130 -7.547 -3.629 551 HH TYR 68 HH TYR 68 -12.392 -8.948 -4.497 552 H GLN 69 HN GLN 69 -18.415 -10.050 -6.093 553 HA GLN 69 HA GLN 69 -20.059 -9.328 -3.722 554 1HB GLN 69 2HB GLN 69 -19.338 -12.030 -4.899 555 2HB GLN 69 1HB GLN 69 -20.369 -11.784 -3.488 556 1HG GLN 69 2HG GLN 69 -20.974 -10.449 -6.125 557 2HG GLN 69 1HG GLN 69 -21.543 -12.080 -5.769 558 1HE2 GLN 69 1HE2 GLN 69 -22.698 -9.038 -5.770 559 2HE2 GLN 69 2HE2 GLN 69 -23.741 -9.093 -4.431 560 H ALA 70 HN ALA 70 -18.686 -8.611 -2.131 561 HA ALA 70 HA ALA 70 -16.479 -10.467 -1.344 562 1HB ALA 70 1HB ALA 70 -14.995 -8.667 -0.946 563 2HB ALA 70 2HB ALA 70 -16.292 -7.474 -1.004 564 3HB ALA 70 3HB ALA 70 -15.750 -8.261 -2.487 565 H GLN 71 HN GLN 71 -17.974 -11.340 0.231 566 HA GLN 71 HA GLN 71 -19.247 -9.624 2.198 567 1HB GLN 71 2HB GLN 71 -18.701 -12.608 2.257 568 2HB GLN 71 1HB GLN 71 -19.779 -11.744 3.353 569 1HG GLN 71 2HG GLN 71 -21.277 -11.170 1.582 570 2HG GLN 71 1HG GLN 71 -20.119 -11.670 0.349 571 1HE2 GLN 71 1HE2 GLN 71 -19.354 -14.153 0.858 572 2HE2 GLN 71 2HE2 GLN 71 -20.649 -15.220 1.110 573 H GLY 72 HN GLY 72 -18.209 -8.661 3.865 574 1HA GLY 72 2HA GLY 72 -16.892 -8.972 5.934 575 2HA GLY 72 1HA GLY 72 -15.832 -10.050 5.026 576 H ALA 73 HN ALA 73 -15.758 -8.279 2.656 577 HA ALA 73 HA ALA 73 -13.991 -6.166 3.813 578 1HB ALA 73 1HB ALA 73 -12.430 -7.106 2.480 579 2HB ALA 73 2HB ALA 73 -13.328 -6.440 1.117 580 3HB ALA 73 3HB ALA 73 -13.634 -8.093 1.652 581 H VAL 74 HN VAL 74 -14.214 -4.084 3.092 582 HA VAL 74 HA VAL 74 -16.754 -3.189 2.131 583 HB VAL 74 HB VAL 74 -14.107 -1.721 1.931 584 1HG1 VAL 74 1HG1 VAL 74 -15.902 -0.669 0.640 585 2HG1 VAL 74 2HG1 VAL 74 -15.561 0.291 2.080 586 3HG1 VAL 74 3HG1 VAL 74 -16.979 -0.756 2.034 587 1HG2 VAL 74 1HG2 VAL 74 -14.874 -2.686 4.230 588 2HG2 VAL 74 2HG2 VAL 74 -16.111 -1.433 4.159 589 3HG2 VAL 74 3HG2 VAL 74 -14.404 -0.989 4.144 590 H VAL 75 HN VAL 75 -17.176 -2.115 -0.020 591 HA VAL 75 HA VAL 75 -15.381 -3.000 -2.207 592 HB VAL 75 HB VAL 75 -18.362 -3.584 -2.160 593 1HG1 VAL 75 1HG1 VAL 75 -18.080 -4.524 -4.302 594 2HG1 VAL 75 2HG1 VAL 75 -16.328 -4.621 -4.128 595 3HG1 VAL 75 3HG1 VAL 75 -17.104 -3.057 -4.374 596 1HG2 VAL 75 1HG2 VAL 75 -17.128 -5.079 -0.641 597 2HG2 VAL 75 2HG2 VAL 75 -15.973 -5.442 -1.924 598 3HG2 VAL 75 3HG2 VAL 75 -17.651 -5.961 -2.076 599 H VAL 76 HN VAL 76 -15.167 -1.311 -3.641 600 HA VAL 76 HA VAL 76 -17.429 0.580 -3.974 601 HB VAL 76 HB VAL 76 -15.850 2.515 -3.722 602 1HG1 VAL 76 1HG1 VAL 76 -17.072 0.948 -1.696 603 2HG1 VAL 76 2HG1 VAL 76 -16.642 2.654 -1.621 604 3HG1 VAL 76 3HG1 VAL 76 -15.495 1.431 -1.076 605 1HG2 VAL 76 1HG2 VAL 76 -13.844 0.852 -4.052 606 2HG2 VAL 76 2HG2 VAL 76 -13.983 0.630 -2.309 607 3HG2 VAL 76 3HG2 VAL 76 -13.653 2.231 -2.969 608 H HIS 77 HN HIS 77 -17.042 2.046 -5.860 609 HA HIS 77 HA HIS 77 -15.019 1.010 -7.787 610 1HB HIS 77 2HB HIS 77 -17.832 1.679 -8.660 611 2HB HIS 77 1HB HIS 77 -16.600 0.771 -9.534 612 HD1 HIS 77 HD1 HIS 77 -15.773 -1.423 -7.799 613 HD2 HIS 77 HD2 HIS 77 -19.725 -0.108 -7.776 614 HE1 HIS 77 HE1 HIS 77 -17.157 -3.330 -6.866 615 H ASP 78 HN ASP 78 -15.100 3.450 -6.143 616 HA ASP 78 HA ASP 78 -14.626 5.368 -8.280 617 1HB ASP 78 2HB ASP 78 -17.217 5.299 -6.959 618 2HB ASP 78 1HB ASP 78 -16.415 6.851 -6.720 619 H VAL 79 HN VAL 79 -12.701 6.019 -7.519 620 HA VAL 79 HA VAL 79 -11.625 6.078 -4.993 621 HB VAL 79 HB VAL 79 -11.327 8.168 -7.164 622 1HG1 VAL 79 1HG1 VAL 79 -10.239 9.323 -5.562 623 2HG1 VAL 79 2HG1 VAL 79 -8.959 8.139 -5.809 624 3HG1 VAL 79 3HG1 VAL 79 -10.117 7.926 -4.495 625 1HG2 VAL 79 1HG2 VAL 79 -9.159 6.249 -6.644 626 2HG2 VAL 79 2HG2 VAL 79 -9.896 6.721 -8.175 627 3HG2 VAL 79 3HG2 VAL 79 -10.658 5.485 -7.175 628 H ALA 80 HN ALA 80 -13.836 8.518 -6.331 629 HA ALA 80 HA ALA 80 -13.629 10.440 -4.244 630 1HB ALA 80 1HB ALA 80 -16.143 10.849 -4.950 631 2HB ALA 80 2HB ALA 80 -15.741 9.725 -6.248 632 3HB ALA 80 3HB ALA 80 -14.834 11.227 -6.069 633 H ALA 81 HN ALA 81 -15.561 7.492 -4.498 634 HA ALA 81 HA ALA 81 -17.162 7.939 -2.156 635 1HB ALA 81 1HB ALA 81 -17.237 5.308 -2.251 636 2HB ALA 81 2HB ALA 81 -16.427 5.538 -3.800 637 3HB ALA 81 3HB ALA 81 -18.015 6.254 -3.520 638 H VAL 82 HN VAL 82 -14.105 6.137 -2.644 639 HA VAL 82 HA VAL 82 -13.804 5.172 0.000 640 HB VAL 82 HB VAL 82 -11.509 6.172 -1.699 641 1HG1 VAL 82 1HG1 VAL 82 -10.588 5.400 0.282 642 2HG1 VAL 82 2HG1 VAL 82 -10.639 3.897 -0.639 643 3HG1 VAL 82 3HG1 VAL 82 -11.888 4.241 0.557 644 1HG2 VAL 82 1HG2 VAL 82 -12.343 4.812 -3.320 645 2HG2 VAL 82 2HG2 VAL 82 -13.460 4.021 -2.210 646 3HG2 VAL 82 3HG2 VAL 82 -11.777 3.499 -2.288 647 H PHE 83 HN PHE 83 -12.957 8.329 -1.374 648 HA PHE 83 HA PHE 83 -11.534 9.333 0.878 649 1HB PHE 83 2HB PHE 83 -13.073 10.650 -1.356 650 2HB PHE 83 1HB PHE 83 -12.308 11.604 -0.083 651 HD1 PHE 83 HD1 PHE 83 -11.769 10.536 -3.306 652 HD2 PHE 83 HD2 PHE 83 -9.834 10.471 0.535 653 HE1 PHE 83 HE1 PHE 83 -9.565 10.297 -4.405 654 HE2 PHE 83 HE2 PHE 83 -7.637 10.215 -0.583 655 HZ PHE 83 HZ PHE 83 -7.508 10.118 -3.051 656 H ALA 84 HN ALA 84 -15.011 9.392 0.107 657 HA ALA 84 HA ALA 84 -15.876 11.082 2.202 658 1HB ALA 84 1HB ALA 84 -17.630 8.769 1.768 659 2HB ALA 84 2HB ALA 84 -17.120 9.542 0.267 660 3HB ALA 84 3HB ALA 84 -17.947 10.484 1.506 661 H TYR 85 HN TYR 85 -15.731 7.498 2.252 662 HA TYR 85 HA TYR 85 -16.430 6.996 4.878 663 1HB TYR 85 2HB TYR 85 -15.589 5.414 2.946 664 2HB TYR 85 1HB TYR 85 -14.034 5.577 3.762 665 HD1 TYR 85 HD1 TYR 85 -17.600 4.620 4.289 666 HD2 TYR 85 HD2 TYR 85 -13.577 4.412 5.773 667 HE1 TYR 85 HE1 TYR 85 -18.313 2.961 5.989 668 HE2 TYR 85 HE2 TYR 85 -14.288 2.753 7.474 669 HH TYR 85 HH TYR 85 -17.630 2.054 8.073 670 H ALA 86 HN ALA 86 -13.054 7.629 3.818 671 HA ALA 86 HA ALA 86 -11.853 7.579 6.364 672 1HB ALA 86 1HB ALA 86 -10.114 7.897 4.971 673 2HB ALA 86 2HB ALA 86 -10.524 9.611 4.959 674 3HB ALA 86 3HB ALA 86 -11.167 8.542 3.713 675 H LYS 87 HN LYS 87 -13.308 10.371 4.676 676 HA LYS 87 HA LYS 87 -12.746 12.281 6.737 677 1HB LYS 87 2HB LYS 87 -14.202 12.198 4.246 678 2HB LYS 87 1HB LYS 87 -15.176 13.013 5.469 679 1HG LYS 87 2HG LYS 87 -12.590 14.014 5.861 680 2HG LYS 87 1HG LYS 87 -12.773 13.941 4.109 681 1HD LYS 87 2HD LYS 87 -14.304 15.613 4.083 682 2HD LYS 87 1HD LYS 87 -15.156 14.973 5.487 683 1HE LYS 87 2HE LYS 87 -12.708 15.864 6.510 684 2HE LYS 87 1HE LYS 87 -13.180 17.106 5.351 685 1HZ LYS 87 1HE LYS 87 -15.124 17.545 6.476 686 2HZ LYS 87 2HE LYS 87 -14.053 17.231 7.757 687 3HZ LYS 87 3HE LYS 87 -15.155 16.039 7.255 688 H GLN 88 HN GLN 88 -15.183 9.824 6.415 689 HA GLN 88 HA GLN 88 -16.916 10.991 8.477 690 1HB GLN 88 2HB GLN 88 -17.057 8.772 6.567 691 2HB GLN 88 1HB GLN 88 -17.744 8.373 8.141 692 1HG GLN 88 2HG GLN 88 -19.552 9.660 7.754 693 2HG GLN 88 1HG GLN 88 -18.540 11.044 7.341 694 1HE2 GLN 88 1HE2 GLN 88 -17.685 11.082 5.032 695 2HE2 GLN 88 2HE2 GLN 88 -18.628 10.372 3.812 696 H HIS 89 HN HIS 89 -14.322 8.595 8.360 697 HA HIS 89 HA HIS 89 -14.984 7.635 11.065 698 1HB HIS 89 2HB HIS 89 -13.150 6.829 8.876 699 2HB HIS 89 1HB HIS 89 -12.593 6.495 10.516 700 HD1 HIS 89 HD1 HIS 89 -13.604 4.509 11.677 701 HD2 HIS 89 HD2 HIS 89 -15.808 5.644 8.326 702 HE1 HIS 89 HE1 HIS 89 -15.387 2.739 11.359 703 HA PRO 90 HA PRO 90 -12.203 10.782 12.778 704 1HB PRO 90 2HB PRO 90 -13.198 10.436 15.350 705 2HB PRO 90 1HB PRO 90 -13.839 11.573 14.155 706 1HG PRO 90 2HG PRO 90 -15.074 9.196 15.203 707 2HG PRO 90 1HG PRO 90 -15.746 10.385 14.079 708 1HD PRO 90 2HD PRO 90 -14.657 7.735 13.510 709 2HD PRO 90 1HD PRO 90 -15.605 8.804 12.463 710 H ASP 91 HN ASP 91 -12.166 7.509 12.954 711 HA ASP 91 HA ASP 91 -9.710 7.502 14.622 712 1HB ASP 91 2HB ASP 91 -12.216 6.399 15.460 713 2HB ASP 91 1HB ASP 91 -11.118 5.059 15.128 714 H GLN 92 HN GLN 92 -10.944 6.997 11.716 715 HA GLN 92 HA GLN 92 -9.019 4.836 11.064 716 1HB GLN 92 2HB GLN 92 -11.608 4.150 11.365 717 2HB GLN 92 1HB GLN 92 -11.679 4.749 9.708 718 1HG GLN 92 2HG GLN 92 -10.153 3.143 8.929 719 2HG GLN 92 1HG GLN 92 -9.529 2.827 10.545 720 1HE2 GLN 92 1HE2 GLN 92 -12.632 2.567 8.721 721 2HE2 GLN 92 2HE2 GLN 92 -13.132 1.141 9.493 722 H GLU 93 HN GLU 93 -7.685 6.042 9.656 723 HA GLU 93 HA GLU 93 -8.956 8.047 7.919 724 1HB GLU 93 2HB GLU 93 -6.095 7.279 8.522 725 2HB GLU 93 1HB GLU 93 -6.508 8.432 7.254 726 1HG GLU 93 HG2 GLU 93 -7.761 8.850 9.925 727 2HG GLU 93 HG1 GLU 93 -6.041 9.211 9.776 728 H LEU 94 HN LEU 94 -7.237 7.902 5.731 729 HA LEU 94 HA LEU 94 -8.221 5.420 4.402 730 1HB LEU 94 2HB LEU 94 -8.515 8.004 3.607 731 2HB LEU 94 1HB LEU 94 -7.017 7.590 2.779 732 HG LEU 94 HG LEU 94 -8.263 5.450 2.023 733 1HD1 LEU 94 1HD1 LEU 94 -10.193 6.290 3.707 734 2HD1 LEU 94 2HD1 LEU 94 -10.544 5.325 2.273 735 3HD1 LEU 94 3HD1 LEU 94 -10.749 7.076 2.228 736 1HD2 LEU 94 1HD2 LEU 94 -7.871 6.826 0.228 737 2HD2 LEU 94 2HD2 LEU 94 -8.498 8.252 1.055 738 3HD2 LEU 94 3HD2 LEU 94 -9.611 7.089 0.336 739 H VAL 95 HN VAL 95 -6.690 3.845 4.291 740 HA VAL 95 HA VAL 95 -3.841 4.696 3.945 741 HB VAL 95 HB VAL 95 -4.916 2.108 5.117 742 1HG1 VAL 95 1HG1 VAL 95 -2.847 1.390 4.498 743 2HG1 VAL 95 2HG1 VAL 95 -2.288 2.348 5.869 744 3HG1 VAL 95 3HG1 VAL 95 -2.251 3.031 4.243 745 1HG2 VAL 95 1HG2 VAL 95 -4.121 2.983 7.257 746 2HG2 VAL 95 2HG2 VAL 95 -5.262 4.127 6.553 747 3HG2 VAL 95 3HG2 VAL 95 -3.530 4.446 6.469 748 H ILE 96 HN ILE 96 -3.029 4.256 1.957 749 HA ILE 96 HA ILE 96 -4.555 2.568 0.105 750 HB ILE 96 HB ILE 96 -1.885 3.919 -0.317 751 1HG1 ILE 96 2HG1 ILE 96 -3.693 5.498 0.408 752 2HG1 ILE 96 1HG1 ILE 96 -3.146 5.795 -1.239 753 1HG2 ILE 96 1HG2 ILE 96 -2.546 3.793 -2.706 754 2HG2 ILE 96 2HG2 ILE 96 -4.009 2.926 -2.241 755 3HG2 ILE 96 3HG2 ILE 96 -2.426 2.193 -1.977 756 1HD1 ILE 96 1HD1 ILE 96 -5.655 5.806 -0.947 757 2HD1 ILE 96 2HD1 ILE 96 -5.551 4.086 -0.568 758 3HD1 ILE 96 3HD1 ILE 96 -5.061 4.669 -2.159 759 H ALA 97 HN ALA 97 -3.854 0.613 -0.769 760 HA ALA 97 HA ALA 97 -1.433 -0.604 0.485 761 1HB ALA 97 1HB ALA 97 -2.762 -2.798 0.288 762 2HB ALA 97 2HB ALA 97 -4.183 -1.777 0.066 763 3HB ALA 97 3HB ALA 97 -3.256 -1.682 1.561 764 H GLY 98 HN GLY 98 -2.902 0.373 -2.354 765 1HA GLY 98 2HA GLY 98 -1.815 0.185 -4.481 766 2HA GLY 98 1HA GLY 98 -1.021 -1.286 -3.927 767 H GLY 99 HN GLY 99 -3.359 -2.804 -6.173 768 1HA GLY 99 2HA GLY 99 -0.607 -2.410 -5.440 769 2HA GLY 99 1HA GLY 99 -1.190 -2.979 -6.998 770 H ALA 100 HN ALA 100 0.053 -1.731 -8.330 771 HA ALA 100 HA ALA 100 0.729 1.011 -7.933 772 1HB ALA 100 1HB ALA 100 0.655 -0.774 -10.358 773 2HB ALA 100 2HB ALA 100 2.059 -0.152 -9.491 774 3HB ALA 100 3HB ALA 100 1.092 0.929 -10.495 775 H GLN 101 HN GLN 101 -1.954 -0.475 -9.742 776 HA GLN 101 HA GLN 101 -2.946 1.874 -10.948 777 1HB GLN 101 2HB GLN 101 -3.825 -0.796 -10.634 778 2HB GLN 101 1HB GLN 101 -5.143 0.225 -10.057 779 1HG GLN 101 2HG GLN 101 -5.072 1.524 -12.145 780 2HG GLN 101 1HG GLN 101 -3.735 0.531 -12.726 781 1HE2 GLN 101 1HE2 GLN 101 -7.028 0.857 -13.030 782 2HE2 GLN 101 2HE2 GLN 101 -7.437 -0.746 -13.408 783 H ILE 102 HN ILE 102 -3.500 0.641 -7.625 784 HA ILE 102 HA ILE 102 -5.447 2.702 -7.034 785 HB ILE 102 HB ILE 102 -3.823 1.002 -5.122 786 1HG1 ILE 102 2HG1 ILE 102 -5.005 -0.372 -6.818 787 2HG1 ILE 102 1HG1 ILE 102 -5.710 -0.573 -5.216 788 1HG2 ILE 102 1HG2 ILE 102 -6.429 2.523 -4.876 789 2HG2 ILE 102 2HG2 ILE 102 -4.947 2.780 -3.955 790 3HG2 ILE 102 3HG2 ILE 102 -5.898 1.313 -3.707 791 1HD1 ILE 102 1HD1 ILE 102 -7.076 0.146 -7.552 792 2HD1 ILE 102 2HD1 ILE 102 -6.955 1.641 -6.628 793 3HD1 ILE 102 3HD1 ILE 102 -7.700 0.219 -5.906 794 H PHE 103 HN PHE 103 -1.936 2.547 -6.892 795 HA PHE 103 HA PHE 103 -1.691 4.751 -5.011 796 1HB PHE 103 2HB PHE 103 0.250 3.408 -6.908 797 2HB PHE 103 1HB PHE 103 0.712 4.742 -5.849 798 HD1 PHE 103 HD1 PHE 103 0.982 1.360 -6.057 799 HD2 PHE 103 HD2 PHE 103 -0.551 4.322 -3.360 800 HE1 PHE 103 HE1 PHE 103 1.246 -0.225 -4.168 801 HE2 PHE 103 HE2 PHE 103 -0.288 2.742 -1.467 802 HZ PHE 103 HZ PHE 103 0.611 0.466 -1.872 803 H THR 104 HN THR 104 -2.107 4.458 -8.467 804 HA THR 104 HA THR 104 -1.152 7.153 -9.056 805 HB THR 104 HB THR 104 -2.974 5.548 -10.840 806 HG1 THR 104 HG1 THR 104 -0.958 4.610 -11.599 807 1HG2 THR 104 1HG2 THR 104 -1.542 6.603 -12.582 808 2HG2 THR 104 2HG2 THR 104 -0.650 7.436 -11.309 809 3HG2 THR 104 3HG2 THR 104 -2.357 7.796 -11.570 810 H ALA 105 HN ALA 105 -4.397 5.613 -8.945 811 HA ALA 105 HA ALA 105 -5.859 8.000 -9.465 812 1HB ALA 105 1HB ALA 105 -7.240 6.222 -7.617 813 2HB ALA 105 2HB ALA 105 -6.480 5.326 -8.933 814 3HB ALA 105 3HB ALA 105 -7.629 6.614 -9.293 815 H PHE 106 HN PHE 106 -4.471 6.744 -6.478 816 HA PHE 106 HA PHE 106 -5.828 8.847 -4.897 817 1HB PHE 106 2HB PHE 106 -4.061 6.502 -4.205 818 2HB PHE 106 1HB PHE 106 -4.468 7.732 -3.010 819 HD1 PHE 106 HD1 PHE 106 -6.689 7.906 -2.091 820 HD2 PHE 106 HD2 PHE 106 -5.848 5.108 -5.231 821 HE1 PHE 106 HE1 PHE 106 -8.871 6.801 -1.695 822 HE2 PHE 106 HE2 PHE 106 -8.025 4.001 -4.835 823 HZ PHE 106 HZ PHE 106 -9.539 4.848 -3.066 824 H LYS 107 HN LYS 107 -2.984 8.579 -6.708 825 HA LYS 107 HA LYS 107 -0.967 9.743 -5.198 826 1HB LYS 107 2HB LYS 107 0.067 10.346 -7.222 827 2HB LYS 107 1HB LYS 107 -0.969 8.993 -7.666 828 1HG LYS 107 2HG LYS 107 -2.705 10.579 -8.439 829 2HG LYS 107 1HG LYS 107 -1.650 11.928 -8.019 830 1HD LYS 107 2HD LYS 107 0.055 10.505 -9.550 831 2HD LYS 107 1HD LYS 107 -1.470 10.026 -10.296 832 1HE LYS 107 2HE LYS 107 -1.806 12.081 -11.198 833 2HE LYS 107 1HE LYS 107 -1.289 12.908 -9.728 834 1HZ LYS 107 1HE LYS 107 0.772 11.527 -11.261 835 2HZ LYS 107 2HE LYS 107 0.846 12.998 -10.413 836 3HZ LYS 107 3HE LYS 107 0.128 12.936 -11.951 837 H ASP 108 HN ASP 108 -3.670 11.533 -6.772 838 HA ASP 108 HA ASP 108 -2.629 14.128 -6.151 839 1HB ASP 108 2HB ASP 108 -4.578 13.377 -7.743 840 2HB ASP 108 1HB ASP 108 -5.576 13.583 -6.303 841 H ASP 109 HN ASP 109 -4.765 11.939 -4.352 842 HA ASP 109 HA ASP 109 -4.935 13.923 -2.147 843 1HB ASP 109 2HB ASP 109 -6.568 11.675 -3.103 844 2HB ASP 109 1HB ASP 109 -6.391 11.724 -1.349 845 H VAL 110 HN VAL 110 -2.776 13.706 -1.325 846 HA VAL 110 HA VAL 110 -2.254 11.069 -0.011 847 HB VAL 110 HB VAL 110 -0.165 13.005 -1.031 848 1HG1 VAL 110 1HG1 VAL 110 -0.136 10.319 0.310 849 2HG1 VAL 110 2HG1 VAL 110 0.844 11.745 0.654 850 3HG1 VAL 110 3HG1 VAL 110 1.174 10.773 -0.778 851 1HG2 VAL 110 1HG2 VAL 110 -0.118 10.524 -2.428 852 2HG2 VAL 110 2HG2 VAL 110 -0.450 12.127 -3.077 853 3HG2 VAL 110 3HG2 VAL 110 -1.775 11.125 -2.483 854 H ASP 111 HN ASP 111 -1.574 11.160 2.124 855 HA ASP 111 HA ASP 111 -1.184 13.863 3.331 856 1HB ASP 111 2HB ASP 111 -2.994 11.632 4.265 857 2HB ASP 111 1HB ASP 111 -2.377 12.841 5.389 858 H THR 112 HN THR 112 -0.549 10.394 3.416 859 HA THR 112 HA THR 112 1.960 10.956 4.891 860 HB THR 112 HB THR 112 0.250 8.605 5.687 861 HG1 THR 112 HG1 THR 112 0.296 11.157 6.913 862 1HG2 THR 112 1HG2 THR 112 1.801 8.289 7.322 863 2HG2 THR 112 2HG2 THR 112 2.017 10.019 7.589 864 3HG2 THR 112 3HG2 THR 112 2.838 9.224 6.244 865 H LEU 113 HN LEU 113 3.619 9.938 3.848 866 HA LEU 113 HA LEU 113 2.916 7.760 1.933 867 1HB LEU 113 2HB LEU 113 5.468 9.391 2.101 868 2HB LEU 113 1HB LEU 113 5.019 8.274 0.815 869 HG LEU 113 HG LEU 113 3.193 10.561 1.499 870 1HD1 LEU 113 1HD1 LEU 113 4.413 11.800 -0.389 871 2HD1 LEU 113 2HD1 LEU 113 5.738 10.659 -0.136 872 3HD1 LEU 113 3HD1 LEU 113 5.241 11.739 1.167 873 1HD2 LEU 113 1HD2 LEU 113 3.074 10.268 -1.151 874 2HD2 LEU 113 2HD2 LEU 113 2.160 9.215 -0.070 875 3HD2 LEU 113 3HD2 LEU 113 3.689 8.663 -0.756 876 H LEU 114 HN LEU 114 3.570 5.697 2.384 877 HA LEU 114 HA LEU 114 5.719 5.343 4.432 878 1HB LEU 114 2HB LEU 114 3.209 3.699 3.987 879 2HB LEU 114 1HB LEU 114 4.532 3.212 5.046 880 HG LEU 114 HG LEU 114 3.399 5.948 5.417 881 1HD1 LEU 114 1HD1 LEU 114 1.393 4.533 5.195 882 2HD1 LEU 114 2HD1 LEU 114 1.612 5.048 6.868 883 3HD1 LEU 114 3HD1 LEU 114 2.049 3.409 6.385 884 1HD2 LEU 114 1HD2 LEU 114 3.805 5.222 7.831 885 2HD2 LEU 114 2HD2 LEU 114 5.242 5.326 6.814 886 3HD2 LEU 114 3HD2 LEU 114 4.528 3.754 7.172 887 H VAL 115 HN VAL 115 7.411 4.870 3.136 888 HA VAL 115 HA VAL 115 7.007 2.761 1.045 889 HB VAL 115 HB VAL 115 7.696 4.918 0.111 890 1HG1 VAL 115 1HG1 VAL 115 8.887 5.981 1.854 891 2HG1 VAL 115 2HG1 VAL 115 10.109 5.629 0.633 892 3HG1 VAL 115 3HG1 VAL 115 9.973 4.608 2.062 893 1HG2 VAL 115 1HG2 VAL 115 9.998 2.948 0.030 894 2HG2 VAL 115 2HG2 VAL 115 9.538 4.098 -1.225 895 3HG2 VAL 115 3HG2 VAL 115 8.490 2.727 -0.859 896 H THR 116 HN THR 116 8.194 0.934 1.092 897 HA THR 116 HA THR 116 10.228 0.668 3.266 898 HB THR 116 HB THR 116 8.777 -1.571 1.825 899 HG1 THR 116 HG1 THR 116 7.488 -1.638 3.709 900 1HG2 THR 116 1HG2 THR 116 9.667 -2.981 3.498 901 2HG2 THR 116 2HG2 THR 116 10.085 -1.621 4.540 902 3HG2 THR 116 3HG2 THR 116 11.010 -1.921 3.069 903 H ARG 117 HN ARG 117 12.209 1.038 2.316 904 HA ARG 117 HA ARG 117 12.656 0.104 -0.457 905 1HB ARG 117 2HB ARG 117 14.425 1.750 1.369 906 2HB ARG 117 1HB ARG 117 14.727 1.422 -0.338 907 1HG ARG 117 2HG ARG 117 12.392 2.438 -0.757 908 2HG ARG 117 1HG ARG 117 12.512 3.066 0.887 909 1HD ARG 117 2HD ARG 117 14.341 3.657 -1.450 910 2HD ARG 117 1HD ARG 117 13.333 4.791 -0.559 911 HE ARG 117 HE ARG 117 14.899 4.706 1.271 912 1HH1 ARG 117 1HH2 ARG 117 15.775 2.687 -1.426 913 2HH1 ARG 117 2HH2 ARG 117 17.409 2.499 -0.896 914 1HH2 ARG 117 1HH1 ARG 117 17.024 4.443 1.939 915 2HH2 ARG 117 2HH1 ARG 117 18.113 3.483 0.995 916 H LEU 118 HN LEU 118 13.424 -1.914 -0.718 917 HA LEU 118 HA LEU 118 14.823 -3.300 1.463 918 1HB LEU 118 2HB LEU 118 14.027 -4.116 -1.344 919 2HB LEU 118 1HB LEU 118 14.935 -5.172 -0.262 920 HG LEU 118 HG LEU 118 13.073 -4.804 1.443 921 1HD1 LEU 118 1HD1 LEU 118 10.857 -4.236 0.198 922 2HD1 LEU 118 2HD1 LEU 118 11.910 -3.478 -0.996 923 3HD1 LEU 118 3HD1 LEU 118 11.916 -2.908 0.673 924 1HD2 LEU 118 1HD2 LEU 118 11.910 -6.653 0.634 925 2HD2 LEU 118 2HD2 LEU 118 13.406 -6.761 -0.296 926 3HD2 LEU 118 3HD2 LEU 118 11.956 -6.077 -1.033 927 H ALA 119 HN ALA 119 16.977 -4.267 1.137 928 HA ALA 119 HA ALA 119 18.798 -2.377 -0.154 929 1HB ALA 119 1HB ALA 119 19.806 -3.158 1.763 930 2HB ALA 119 2HB ALA 119 20.445 -4.344 0.624 931 3HB ALA 119 3HB ALA 119 19.057 -4.749 1.633 932 H GLY 120 HN GLY 120 17.472 -5.556 -0.863 933 1HA GLY 120 2HA GLY 120 19.394 -6.179 -2.951 934 2HA GLY 120 1HA GLY 120 17.865 -7.013 -2.673 935 H SER 121 HN SER 121 18.651 -6.450 -5.275 936 HA SER 121 HA SER 121 16.760 -4.257 -6.034 937 1HB SER 121 2HB SER 121 18.182 -3.975 -8.081 938 2HB SER 121 1HB SER 121 19.030 -3.581 -6.589 939 HG SER 121 HG SER 121 19.525 -5.528 -8.420 940 H PHE 122 HN PHE 122 14.982 -5.117 -6.997 941 HA PHE 122 HA PHE 122 15.296 -7.695 -8.474 942 1HB PHE 122 2HB PHE 122 12.735 -6.546 -7.332 943 2HB PHE 122 1HB PHE 122 13.004 -8.184 -7.930 944 HD1 PHE 122 HD1 PHE 122 13.899 -9.879 -6.515 945 HD2 PHE 122 HD2 PHE 122 14.013 -5.768 -5.281 946 HE1 PHE 122 HE1 PHE 122 14.640 -10.578 -4.252 947 HE2 PHE 122 HE2 PHE 122 14.751 -6.464 -3.018 948 HZ PHE 122 HZ PHE 122 15.065 -8.870 -2.500 949 H GLU 123 HN GLU 123 13.803 -7.920 -10.373 950 HA GLU 123 HA GLU 123 13.462 -5.278 -11.743 951 1HB GLU 123 2HB GLU 123 14.097 -8.004 -12.905 952 2HB GLU 123 1HB GLU 123 13.718 -6.580 -13.875 953 1HG GLU 123 HG2 GLU 123 15.983 -6.275 -13.819 954 2HG GLU 123 HG1 GLU 123 15.631 -5.548 -12.251 955 H GLY 124 HN GLY 124 11.680 -5.307 -13.428 956 1HA GLY 124 2HA GLY 124 9.616 -7.245 -13.510 957 2HA GLY 124 1HA GLY 124 9.189 -6.084 -12.252 958 H ASP 125 HN ASP 125 7.382 -5.257 -13.533 959 HA ASP 125 HA ASP 125 8.284 -3.395 -15.664 960 1HB ASP 125 2HB ASP 125 6.902 -5.777 -16.196 961 2HB ASP 125 1HB ASP 125 5.666 -4.521 -16.256 962 H THR 126 HN THR 126 6.471 -4.001 -12.870 963 HA THR 126 HA THR 126 4.838 -1.529 -13.291 964 HB THR 126 HB THR 126 4.297 -3.694 -11.245 965 HG1 THR 126 HG1 THR 126 3.878 -4.817 -12.987 966 1HG2 THR 126 1HG2 THR 126 3.217 -1.563 -10.797 967 2HG2 THR 126 2HG2 THR 126 2.002 -2.705 -11.372 968 3HG2 THR 126 3HG2 THR 126 2.636 -1.470 -12.460 969 H LYS 127 HN LYS 127 5.489 0.190 -12.073 970 HA LYS 127 HA LYS 127 6.914 -0.389 -9.510 971 1HB LYS 127 2HB LYS 127 7.663 1.723 -11.553 972 2HB LYS 127 1HB LYS 127 8.454 1.472 -9.996 973 1HG LYS 127 2HG LYS 127 9.848 0.118 -11.185 974 2HG LYS 127 1HG LYS 127 8.538 -1.051 -11.027 975 1HD LYS 127 2HD LYS 127 8.458 -1.108 -13.280 976 2HD LYS 127 1HD LYS 127 7.783 0.520 -13.211 977 1HE LYS 127 2HE LYS 127 9.757 1.510 -13.818 978 2HE LYS 127 1HE LYS 127 10.737 0.320 -12.962 979 1HZ LYS 127 1HE LYS 127 9.650 -1.186 -14.878 980 2HZ LYS 127 2HE LYS 127 11.154 -0.411 -15.026 981 3HZ LYS 127 3HE LYS 127 9.761 0.299 -15.691 982 H MET 128 HN MET 128 7.008 1.637 -8.109 983 HA MET 128 HA MET 128 4.360 2.603 -7.643 984 1HB MET 128 2HB MET 128 6.591 2.526 -6.141 985 2HB MET 128 1HB MET 128 6.668 4.210 -6.662 986 1HG MET 128 2HG MET 128 4.037 3.175 -5.701 987 2HG MET 128 1HG MET 128 5.283 3.491 -4.498 988 1HE MET 128 1HE MET 128 2.729 6.489 -4.440 989 2HE MET 128 2HE MET 128 3.592 5.344 -3.415 990 3HE MET 128 3HE MET 128 2.507 4.749 -4.669 991 H ILE 129 HN ILE 129 3.533 4.753 -7.917 992 HA ILE 129 HA ILE 129 4.257 5.973 -10.445 993 HB ILE 129 HB ILE 129 2.520 7.658 -9.796 994 1HG1 ILE 129 2HG1 ILE 129 1.875 6.031 -7.377 995 2HG1 ILE 129 1HG1 ILE 129 3.210 7.177 -7.251 996 1HG2 ILE 129 1HG2 ILE 129 2.115 5.210 -10.701 997 2HG2 ILE 129 2HG2 ILE 129 0.750 6.195 -10.172 998 3HG2 ILE 129 3HG2 ILE 129 1.414 4.958 -9.103 999 1HD1 ILE 129 1HD1 ILE 129 0.829 8.029 -6.673 1000 2HD1 ILE 129 2HD1 ILE 129 0.559 8.012 -8.416 1001 3HD1 ILE 129 3HD1 ILE 129 1.828 9.027 -7.730 1002 HA PRO 130 HA PRO 130 7.090 9.117 -9.166 1003 1HB PRO 130 2HB PRO 130 5.942 11.309 -10.561 1004 2HB PRO 130 1HB PRO 130 7.216 10.223 -11.131 1005 1HG PRO 130 2HG PRO 130 4.558 10.415 -12.092 1006 2HG PRO 130 1HG PRO 130 5.795 9.242 -12.567 1007 1HD PRO 130 2HD PRO 130 3.468 8.872 -10.836 1008 2HD PRO 130 1HD PRO 130 4.496 7.653 -11.607 1009 H LEU 131 HN LEU 131 6.778 9.567 -6.983 1010 HA LEU 131 HA LEU 131 4.510 11.270 -6.156 1011 1HB LEU 131 2HB LEU 131 6.652 9.727 -4.698 1012 2HB LEU 131 1HB LEU 131 5.685 10.939 -3.856 1013 HG LEU 131 HG LEU 131 4.387 8.777 -5.512 1014 1HD1 LEU 131 1HD1 LEU 131 5.721 7.560 -3.917 1015 2HD1 LEU 131 2HD1 LEU 131 4.068 7.581 -3.301 1016 3HD1 LEU 131 3HD1 LEU 131 5.277 8.668 -2.618 1017 1HD2 LEU 131 1HD2 LEU 131 3.478 11.044 -4.075 1018 2HD2 LEU 131 2HD2 LEU 131 3.009 9.638 -3.121 1019 3HD2 LEU 131 3HD2 LEU 131 2.494 9.775 -4.802 1020 H ASN 132 HN ASN 132 4.859 13.291 -5.026 1021 HA ASN 132 HA ASN 132 7.228 14.738 -6.049 1022 1HB ASN 132 2HB ASN 132 4.593 15.462 -5.825 1023 2HB ASN 132 1HB ASN 132 5.282 16.207 -4.383 1024 1HD2 ASN 132 1HD2 ASN 132 7.652 17.226 -5.016 1025 2HD2 ASN 132 2HD2 ASN 132 7.606 18.224 -6.389 1026 H TRP 133 HN TRP 133 8.519 13.335 -4.439 1027 HA TRP 133 HA TRP 133 8.368 13.547 -1.651 1028 1HB TRP 133 2HB TRP 133 10.915 13.532 -3.299 1029 2HB TRP 133 1HB TRP 133 10.762 13.040 -1.612 1030 HD1 TRP 133 HD1 TRP 133 10.050 11.892 -5.153 1031 HE1 TRP 133 HE1 TRP 133 9.295 9.427 -5.111 1032 HE3 TRP 133 HE3 TRP 133 9.553 11.207 -0.116 1033 HZ2 TRP 133 HZ2 TRP 133 8.577 7.429 -3.195 1034 HZ3 TRP 133 HZ3 TRP 133 8.834 9.014 0.789 1035 HH2 TRP 133 HH2 TRP 133 8.347 7.126 -0.743 1036 H ASP 134 HN ASP 134 9.525 15.926 -3.964 1037 HA ASP 134 HA ASP 134 10.895 17.635 -2.117 1038 1HB ASP 134 2HB ASP 134 10.546 17.644 -4.820 1039 2HB ASP 134 1HB ASP 134 9.456 18.947 -4.346 1040 H ASP 135 HN ASP 135 7.498 17.153 -2.802 1041 HA ASP 135 HA ASP 135 6.740 19.594 -1.308 1042 1HB ASP 135 2HB ASP 135 5.605 18.574 -3.473 1043 2HB ASP 135 1HB ASP 135 4.755 17.577 -2.293 1044 H PHE 136 HN PHE 136 7.441 16.356 -0.623 1045 HA PHE 136 HA PHE 136 5.734 16.436 1.841 1046 1HB PHE 136 2HB PHE 136 6.800 14.106 0.225 1047 2HB PHE 136 1HB PHE 136 6.156 13.914 1.854 1048 HD1 PHE 136 HD1 PHE 136 5.331 14.971 -1.604 1049 HD2 PHE 136 HD2 PHE 136 3.801 13.987 2.286 1050 HE1 PHE 136 HE1 PHE 136 3.033 14.902 -2.530 1051 HE2 PHE 136 HE2 PHE 136 1.499 13.919 1.361 1052 HZ PHE 136 HZ PHE 136 1.118 14.378 -1.047 1053 H THR 137 HN THR 137 6.789 15.404 3.774 1054 HA THR 137 HA THR 137 9.766 15.485 3.643 1055 HB THR 137 HB THR 137 8.253 16.665 5.974 1056 HG1 THR 137 HG1 THR 137 9.395 18.196 3.904 1057 1HG2 THR 137 1HG2 THR 137 10.738 17.912 5.507 1058 2HG2 THR 137 2HG2 THR 137 11.016 16.187 5.265 1059 3HG2 THR 137 3HG2 THR 137 10.346 16.767 6.790 1060 H LYS 138 HN LYS 138 10.652 13.730 4.667 1061 HA LYS 138 HA LYS 138 8.924 11.702 5.780 1062 1HB LYS 138 2HB LYS 138 11.327 11.557 4.652 1063 2HB LYS 138 1HB LYS 138 11.870 11.712 6.323 1064 1HG LYS 138 2HG LYS 138 9.763 9.843 6.393 1065 2HG LYS 138 1HG LYS 138 10.725 9.410 4.981 1066 1HD LYS 138 2HD LYS 138 11.919 9.934 7.714 1067 2HD LYS 138 1HD LYS 138 11.483 8.326 7.134 1068 1HE LYS 138 2HE LYS 138 13.631 8.311 6.358 1069 2HE LYS 138 1HE LYS 138 12.936 9.225 5.020 1070 1HZ LYS 138 1HE LYS 138 13.664 10.800 7.338 1071 2HZ LYS 138 2HE LYS 138 13.914 11.111 5.686 1072 3HZ LYS 138 3HE LYS 138 14.970 10.081 6.529 1073 H VAL 139 HN VAL 139 8.079 11.742 7.789 1074 HA VAL 139 HA VAL 139 9.328 13.490 9.838 1075 HB VAL 139 HB VAL 139 7.183 13.136 11.066 1076 1HG1 VAL 139 1HG1 VAL 139 7.355 15.047 9.578 1077 2HG1 VAL 139 2HG1 VAL 139 5.751 14.340 9.388 1078 3HG1 VAL 139 3HG1 VAL 139 6.997 14.039 8.177 1079 1HG2 VAL 139 1HG2 VAL 139 5.415 11.854 10.128 1080 2HG2 VAL 139 2HG2 VAL 139 6.845 10.840 9.936 1081 3HG2 VAL 139 3HG2 VAL 139 6.217 11.747 8.561 1082 H SER 140 HN SER 140 8.764 10.114 9.118 1083 HA SER 140 HA SER 140 10.316 9.415 11.549 1084 1HB SER 140 2HB SER 140 7.586 9.206 11.613 1085 2HB SER 140 1HB SER 140 8.038 7.606 11.034 1086 HG SER 140 HG SER 140 8.874 7.176 12.921 1087 H SER 141 HN SER 141 11.644 7.652 11.224 1088 HA SER 141 HA SER 141 11.200 5.929 8.861 1089 1HB SER 141 2HB SER 141 13.975 6.522 8.862 1090 2HB SER 141 1HB SER 141 12.794 6.921 7.620 1091 HG SER 141 HG SER 141 13.833 8.783 8.441 1092 H ARG 142 HN ARG 142 11.735 3.826 9.362 1093 HA ARG 142 HA ARG 142 13.527 3.385 11.715 1094 1HB ARG 142 2HB ARG 142 10.985 2.935 12.028 1095 2HB ARG 142 1HB ARG 142 11.247 1.549 10.970 1096 1HG ARG 142 2HG ARG 142 11.885 0.408 12.809 1097 2HG ARG 142 1HG ARG 142 13.344 1.400 12.809 1098 1HD ARG 142 2HD ARG 142 11.566 3.103 13.988 1099 2HD ARG 142 1HD ARG 142 10.965 1.546 14.559 1100 HE ARG 142 HE ARG 142 13.827 1.700 14.865 1101 1HH1 ARG 142 1HH2 ARG 142 10.809 2.803 16.174 1102 2HH1 ARG 142 2HH2 ARG 142 11.441 3.005 17.772 1103 1HH2 ARG 142 1HH1 ARG 142 14.639 1.965 16.945 1104 2HH2 ARG 142 2HH1 ARG 142 13.599 2.533 18.208 1105 H THR 143 HN THR 143 15.296 2.132 11.151 1106 HA THR 143 HA THR 143 15.133 0.641 8.574 1107 HB THR 143 HB THR 143 17.655 1.280 10.106 1108 HG1 THR 143 HG1 THR 143 16.557 3.223 9.730 1109 1HG2 THR 143 1HG2 THR 143 17.203 1.010 7.133 1110 2HG2 THR 143 2HG2 THR 143 17.561 -0.378 8.160 1111 3HG2 THR 143 3HG2 THR 143 18.729 0.934 8.011 1112 H VAL 144 HN VAL 144 15.148 -1.564 8.659 1113 HA VAL 144 HA VAL 144 16.142 -2.834 11.175 1114 HB VAL 144 HB VAL 144 13.676 -2.900 11.092 1115 1HG1 VAL 144 1HG1 VAL 144 12.487 -3.944 9.305 1116 2HG1 VAL 144 2HG1 VAL 144 13.973 -4.573 8.591 1117 3HG1 VAL 144 3HG1 VAL 144 13.634 -2.843 8.541 1118 1HG2 VAL 144 1HG2 VAL 144 15.398 -5.301 11.013 1119 2HG2 VAL 144 2HG2 VAL 144 13.686 -5.621 10.734 1120 3HG2 VAL 144 3HG2 VAL 144 14.203 -4.812 12.213 1121 H GLU 145 HN GLU 145 17.685 -4.332 10.840 1122 HA GLU 145 HA GLU 145 18.384 -5.078 8.073 1123 1HB GLU 145 2HB GLU 145 19.717 -5.437 10.761 1124 2HB GLU 145 1HB GLU 145 20.314 -6.257 9.318 1125 1HG GLU 145 HG2 GLU 145 20.950 -4.274 8.284 1126 2HG GLU 145 HG1 GLU 145 19.782 -3.309 9.189 1127 H ASP 146 HN ASP 146 18.827 -7.389 7.579 1128 HA ASP 146 HA ASP 146 17.266 -9.304 9.241 1129 1HB ASP 146 2HB ASP 146 16.260 -8.224 6.879 1130 2HB ASP 146 1HB ASP 146 16.920 -9.780 6.375 1131 H THR 147 HN THR 147 17.861 -11.564 8.809 1132 HA THR 147 HA THR 147 20.663 -11.969 8.470 1133 HB THR 147 HB THR 147 19.913 -14.426 8.159 1134 HG1 THR 147 HG1 THR 147 17.872 -14.672 7.836 1135 1HG2 THR 147 1HG2 THR 147 18.643 -13.823 10.645 1136 2HG2 THR 147 2HG2 THR 147 19.981 -12.693 10.430 1137 3HG2 THR 147 3HG2 THR 147 20.276 -14.430 10.376 1138 H ASN 148 HN ASN 148 18.194 -11.500 6.164 1139 HA ASN 148 HA ASN 148 19.829 -12.761 4.013 1140 1HB ASN 148 2HB ASN 148 16.985 -12.467 4.448 1141 2HB ASN 148 1HB ASN 148 17.440 -11.750 2.902 1142 1HD2 ASN 148 1HD2 ASN 148 18.853 -13.208 1.458 1143 2HD2 ASN 148 2HD2 ASN 148 18.568 -14.880 1.513 1144 HA PRO 149 HA PRO 149 21.655 -8.790 3.120 1145 1HB PRO 149 2HB PRO 149 21.938 -9.658 0.363 1146 2HB PRO 149 1HB PRO 149 23.193 -9.405 1.583 1147 1HG PRO 149 2HG PRO 149 22.111 -11.883 0.627 1148 2HG PRO 149 1HG PRO 149 23.415 -11.627 1.794 1149 1HD PRO 149 2HD PRO 149 20.867 -12.650 2.360 1150 2HD PRO 149 1HD PRO 149 22.052 -12.080 3.545 1151 H ALA 150 HN ALA 150 19.527 -10.194 0.598 1152 HA ALA 150 HA ALA 150 18.721 -7.549 -0.318 1153 1HB ALA 150 1HB ALA 150 17.797 -10.350 -0.978 1154 2HB ALA 150 2HB ALA 150 18.761 -9.261 -1.976 1155 3HB ALA 150 3HB ALA 150 17.055 -8.917 -1.689 1156 H LEU 151 HN LEU 151 17.425 -9.916 1.952 1157 HA LEU 151 HA LEU 151 14.765 -8.795 2.000 1158 1HB LEU 151 2HB LEU 151 16.260 -10.541 3.969 1159 2HB LEU 151 1HB LEU 151 14.577 -10.073 4.180 1160 HG LEU 151 HG LEU 151 15.719 -11.627 1.836 1161 1HD1 LEU 151 1HD1 LEU 151 14.340 -12.343 4.366 1162 2HD1 LEU 151 2HD1 LEU 151 15.460 -13.290 3.388 1163 3HD1 LEU 151 3HD1 LEU 151 13.766 -13.170 2.918 1164 1HD2 LEU 151 1HD2 LEU 151 12.833 -11.607 2.042 1165 2HD2 LEU 151 2HD2 LEU 151 13.843 -11.125 0.682 1166 3HD2 LEU 151 3HD2 LEU 151 13.432 -9.956 1.934 1167 H THR 152 HN THR 152 17.618 -7.390 2.970 1168 HA THR 152 HA THR 152 16.762 -6.207 5.489 1169 HB THR 152 HB THR 152 18.836 -5.146 3.543 1170 HG1 THR 152 HG1 THR 152 19.155 -6.987 5.673 1171 1HG2 THR 152 1HG2 THR 152 17.857 -4.208 6.032 1172 2HG2 THR 152 2HG2 THR 152 19.246 -3.608 5.128 1173 3HG2 THR 152 3HG2 THR 152 19.461 -4.872 6.337 1174 H HIS 153 HN HIS 153 15.929 -4.000 5.745 1175 HA HIS 153 HA HIS 153 15.415 -2.391 3.378 1176 1HB HIS 153 2HB HIS 153 12.897 -2.532 3.572 1177 2HB HIS 153 1HB HIS 153 13.680 -3.973 2.931 1178 HD1 HIS 153 HD1 HIS 153 14.282 -5.827 4.938 1179 HD2 HIS 153 HD2 HIS 153 11.198 -3.118 5.660 1180 HE1 HIS 153 HE1 HIS 153 12.902 -6.801 6.822 1181 H THR 154 HN THR 154 13.942 -0.505 3.913 1182 HA THR 154 HA THR 154 14.087 0.214 6.809 1183 HB THR 154 HB THR 154 14.590 2.222 4.616 1184 HG1 THR 154 HG1 THR 154 16.751 1.787 4.771 1185 1HG2 THR 154 1HG2 THR 154 14.577 2.165 7.529 1186 2HG2 THR 154 2HG2 THR 154 14.576 3.548 6.436 1187 3HG2 THR 154 3HG2 THR 154 16.099 2.786 6.890 1188 H TYR 155 HN TYR 155 12.422 1.733 7.465 1189 HA TYR 155 HA TYR 155 10.138 1.867 5.534 1190 1HB TYR 155 2HB TYR 155 10.081 2.003 8.566 1191 2HB TYR 155 1HB TYR 155 8.676 2.010 7.501 1192 HD1 TYR 155 HD1 TYR 155 8.309 -0.014 5.968 1193 HD2 TYR 155 HD2 TYR 155 11.051 -0.027 9.275 1194 HE1 TYR 155 HE1 TYR 155 8.283 -2.494 5.981 1195 HE2 TYR 155 HE2 TYR 155 11.026 -2.506 9.287 1196 HH TYR 155 HH TYR 155 9.498 -4.327 8.552 1197 H GLU 156 HN GLU 156 9.605 3.911 4.840 1198 HA GLU 156 HA GLU 156 10.597 6.207 6.483 1199 1HB GLU 156 2HB GLU 156 10.082 6.196 3.497 1200 2HB GLU 156 1HB GLU 156 10.854 7.471 4.438 1201 1HG GLU 156 HG2 GLU 156 12.270 5.064 4.984 1202 2HG GLU 156 HG1 GLU 156 12.063 5.158 3.235 1203 H VAL 157 HN VAL 157 9.010 7.481 7.311 1204 HA VAL 157 HA VAL 157 6.283 7.290 6.091 1205 HB VAL 157 HB VAL 157 6.918 8.237 8.894 1206 1HG1 VAL 157 1HG1 VAL 157 4.434 7.247 7.471 1207 2HG1 VAL 157 2HG1 VAL 157 4.720 8.857 8.134 1208 3HG1 VAL 157 3HG1 VAL 157 4.522 7.478 9.217 1209 1HG2 VAL 157 1HG2 VAL 157 6.939 5.511 7.785 1210 2HG2 VAL 157 2HG2 VAL 157 5.848 5.702 9.157 1211 3HG2 VAL 157 3HG2 VAL 157 7.557 6.099 9.327 1212 H TRP 158 HN TRP 158 5.600 9.142 5.080 1213 HA TRP 158 HA TRP 158 7.005 11.683 5.803 1214 1HB TRP 158 2HB TRP 158 5.692 10.910 3.185 1215 2HB TRP 158 1HB TRP 158 6.490 12.445 3.516 1216 HD1 TRP 158 HD1 TRP 158 7.452 8.700 3.852 1217 HE1 TRP 158 HE1 TRP 158 9.877 8.433 3.017 1218 HE3 TRP 158 HE3 TRP 158 8.507 13.547 2.649 1219 HZ2 TRP 158 HZ2 TRP 158 11.987 10.064 1.977 1220 HZ3 TRP 158 HZ3 TRP 158 10.728 14.164 1.739 1221 HH2 TRP 158 HH2 TRP 158 12.467 12.430 1.404 1222 H GLN 159 HN GLN 159 5.693 13.657 5.451 1223 HA GLN 159 HA GLN 159 2.761 13.265 5.755 1224 1HB GLN 159 2HB GLN 159 4.582 14.831 7.604 1225 2HB GLN 159 1HB GLN 159 2.844 15.119 7.521 1226 1HG GLN 159 2HG GLN 159 3.108 12.328 7.734 1227 2HG GLN 159 1HG GLN 159 4.282 12.989 8.873 1228 1HE2 GLN 159 1HE2 GLN 159 3.280 12.986 10.898 1229 2HE2 GLN 159 2HE2 GLN 159 1.709 13.554 11.202 1230 H LYS 160 HN LYS 160 1.572 14.980 4.735 1231 HA LYS 160 HA LYS 160 3.064 16.545 2.815 1232 1HB LYS 160 2HB LYS 160 0.786 15.685 2.368 1233 2HB LYS 160 1HB LYS 160 0.152 16.714 3.651 1234 1HG LYS 160 2HG LYS 160 1.577 18.514 2.128 1235 2HG LYS 160 1HG LYS 160 0.941 17.417 0.904 1236 1HD LYS 160 2HD LYS 160 -0.769 19.028 1.156 1237 2HD LYS 160 1HD LYS 160 -1.321 17.670 2.137 1238 1HE LYS 160 2HE LYS 160 0.394 19.728 3.458 1239 2HE LYS 160 1HE LYS 160 -1.279 20.157 3.108 1240 1HZ LYS 160 1HE LYS 160 -1.631 17.751 4.145 1241 2HZ LYS 160 2HE LYS 160 -1.603 19.162 5.090 1242 3HZ LYS 160 3HE LYS 160 -0.216 18.189 4.971 1243 H LYS 161 HN LYS 161 3.909 18.541 3.111 1244 HA LYS 161 HA LYS 161 3.310 19.969 5.640 1245 1HB LYS 161 2HB LYS 161 5.380 20.610 3.518 1246 2HB LYS 161 1HB LYS 161 5.290 21.291 5.142 1247 1HG LYS 161 2HG LYS 161 5.507 18.313 4.732 1248 2HG LYS 161 1HG LYS 161 6.945 19.333 4.731 1249 1HD LYS 161 2HD LYS 161 6.854 19.666 6.971 1250 2HD LYS 161 1HD LYS 161 5.106 19.897 6.954 1251 1HE LYS 161 2HE LYS 161 4.820 17.428 6.729 1252 2HE LYS 161 1HE LYS 161 6.567 17.242 6.875 1253 1HZ LYS 161 1HE LYS 161 6.523 17.680 9.065 1254 2HZ LYS 161 2HE LYS 161 4.902 17.186 8.947 1255 3HZ LYS 161 3HE LYS 161 5.292 18.840 8.936 1256 H ALA 162 HN ALA 162 3.249 22.457 5.368 1257 HA ALA 162 HA ALA 162 1.453 23.099 3.061 1258 1HB ALA 162 1HB ALA 162 0.174 24.469 4.444 1259 2HB ALA 162 2HB ALA 162 1.499 24.736 5.576 1260 3HB ALA 162 3HB ALA 162 0.641 23.195 5.571 1261 AH51 NDP 168 AH51 NDP 168 -5.655 -1.242 -9.451 1262 AH52 NDP 168 AH52 NDP 168 -5.894 -2.253 -8.035 1263 AH4* NDP 168 AH4* NDP 168 -7.490 -3.647 -9.541 1264 AH3* NDP 168 AH3* NDP 168 -7.163 -1.205 -11.291 1265 AHO3 NDP 168 AHO3 NDP 168 -6.244 -3.228 -11.944 1266 AH2* NDP 168 AH2* NDP 168 -9.497 -1.332 -11.770 1267 AH1* NDP 168 AH1* NDP 168 -10.314 -1.815 -9.171 1268 AH8 NDP 168 AH8 NDP 168 -7.353 0.566 -9.568 1269 AH61 NDP 168 AH61 NDP 168 -9.922 4.705 -9.413 1270 AH62 NDP 168 AH62 NDP 168 -11.636 5.052 -9.429 1271 AH2 NDP 168 AH2 NDP 168 -13.762 1.102 -9.433 1272 NH51 NDP 168 NH51 NDP 168 -1.433 -5.547 -9.322 1273 NH52 NDP 168 NH52 NDP 168 -1.239 -4.433 -7.962 1274 NH4* NDP 168 NH4* NDP 168 0.970 -6.129 -9.227 1275 NH3* NDP 168 NH3* NDP 168 -0.517 -6.472 -6.610 1276 NHO3 NDP 168 NHO3 NDP 168 0.094 -7.964 -8.917 1277 NH2* NDP 168 NH2* NDP 168 1.527 -7.361 -5.716 1278 NHO2 NDP 168 NHO2 NDP 168 2.194 -7.778 -8.395 1279 NH1* NDP 168 NH1* NDP 168 3.177 -5.448 -6.878 1280 NH2 NDP 168 NH2 NDP 168 3.739 -3.949 -5.108 1281 NH71 NDP 168 NH71 NDP 168 5.129 -3.225 -4.485 1282 NH72 NDP 168 NH72 NDP 168 5.579 -2.086 -3.240 1283 NH41 NDP 168 NH41 NDP 168 0.698 -2.600 -2.937 1284 NH42 NDP 168 NH42 NDP 168 1.227 -4.051 -2.018 1285 NH5 NDP 168 NH5 NDP 168 -0.862 -4.498 -3.290 1286 NH6 NDP 168 NH6 NDP 168 -0.246 -5.709 -5.439 1287 H1 TRR 170 H1 TRR 170 4.555 -5.216 1.730 1288 1H2 TRR 170 1H2 TRR 170 4.827 -1.762 2.550 1289 2H2 TRR 170 2H2 TRR 170 5.641 -3.265 2.574 1290 1H4 TRR 170 1H4 TRR 170 -0.391 -2.869 0.196 1291 2H4 TRR 170 2H4 TRR 170 0.377 -1.481 0.793 1292 H6 TRR 170 H6 TRR 170 2.687 -6.374 0.732 1293 1H7 TRR 170 1H7 TRR 170 0.287 -4.939 -1.049 1294 2H7 TRR 170 2H7 TRR 170 -0.571 -4.829 0.489 1295 H12 TRR 170 H12 TRR 170 1.014 -7.018 -1.895 1296 H16 TRR 170 H16 TRR 170 -0.352 -6.684 2.184 1297 1H17 TRR 170 1H17 TRR 170 0.790 -8.286 -3.392 1298 2H17 TRR 170 2H17 TRR 170 1.488 -9.803 -3.939 1299 3H17 TRR 170 3H17 TRR 170 2.473 -8.652 -3.052 1300 1H18 TRR 170 1H18 TRR 170 1.675 -11.513 1.926 1301 2H18 TRR 170 2H18 TRR 170 2.415 -10.941 0.438 1302 3H18 TRR 170 3H18 TRR 170 1.608 -12.502 0.475 1303 1H19 TRR 170 1H19 TRR 170 0.057 -8.065 4.217 1304 2H19 TRR 170 2H19 TRR 170 -1.329 -9.109 4.490 1305 3H19 TRR 170 3H19 TRR 170 -1.473 -7.719 3.425 Start of MODEL 23 1 1H THR 1 1H THR 1 -5.232 11.452 2.976 2 2H THR 1 2H THR 1 -5.434 10.323 4.230 3 3H THR 1 3H THR 1 -6.732 10.693 3.197 4 HA THR 1 HA THR 1 -5.801 8.566 2.600 5 HB THR 1 HB THR 1 -4.935 10.604 0.545 6 HG1 THR 1 HG1 THR 1 -7.543 9.676 1.158 7 1HG2 THR 1 1HG2 THR 1 -4.798 8.799 -0.786 8 2HG2 THR 1 2HG2 THR 1 -6.482 8.406 -0.442 9 3HG2 THR 1 3HG2 THR 1 -5.201 7.767 0.586 10 H ALA 2 HN ALA 2 -4.026 7.299 2.763 11 HA ALA 2 HA ALA 2 -1.349 8.617 2.572 12 1HB ALA 2 1HB ALA 2 -0.555 7.123 4.359 13 2HB ALA 2 2HB ALA 2 -2.160 6.403 4.482 14 3HB ALA 2 3HB ALA 2 -1.915 8.090 4.930 15 H PHE 3 HN PHE 3 0.329 7.275 1.697 16 HA PHE 3 HA PHE 3 -0.712 4.994 0.074 17 1HB PHE 3 2HB PHE 3 1.642 6.858 -0.221 18 2HB PHE 3 1HB PHE 3 1.604 5.318 -1.068 19 HD1 PHE 3 HD1 PHE 3 -1.719 5.836 -1.077 20 HD2 PHE 3 HD2 PHE 3 1.807 7.748 -2.614 21 HE1 PHE 3 HE1 PHE 3 -3.059 6.858 -2.890 22 HE2 PHE 3 HE2 PHE 3 0.459 8.770 -4.421 23 HZ PHE 3 HZ PHE 3 -1.969 8.321 -4.559 24 H LEU 4 HN LEU 4 0.073 2.927 0.477 25 HA LEU 4 HA LEU 4 2.431 2.717 2.296 26 1HB LEU 4 2HB LEU 4 0.567 2.297 3.729 27 2HB LEU 4 1HB LEU 4 -0.259 1.344 2.502 28 HG LEU 4 HG LEU 4 1.302 -0.470 2.734 29 1HD1 LEU 4 1HD1 LEU 4 3.253 -0.310 4.263 30 2HD1 LEU 4 2HD1 LEU 4 2.865 1.382 4.571 31 3HD1 LEU 4 3HD1 LEU 4 3.362 0.871 2.958 32 1HD2 LEU 4 1HD2 LEU 4 -0.392 -0.468 4.460 33 2HD2 LEU 4 2HD2 LEU 4 0.505 0.712 5.414 34 3HD2 LEU 4 3HD2 LEU 4 1.132 -0.925 5.219 35 H TRP 5 HN TRP 5 3.841 2.052 0.629 36 HA TRP 5 HA TRP 5 3.250 -0.639 -0.481 37 1HB TRP 5 2HB TRP 5 3.770 -0.022 -2.730 38 2HB TRP 5 1HB TRP 5 2.615 1.173 -2.153 39 HD1 TRP 5 HD1 TRP 5 5.957 0.867 -3.682 40 HE1 TRP 5 HE1 TRP 5 7.167 3.144 -3.691 41 HE3 TRP 5 HE3 TRP 5 2.916 3.492 -0.528 42 HZ2 TRP 5 HZ2 TRP 5 6.877 5.740 -2.517 43 HZ3 TRP 5 HZ3 TRP 5 3.405 5.861 0.008 44 HH2 TRP 5 HH2 TRP 5 5.380 6.987 -0.981 45 H ALA 6 HN ALA 6 5.092 -1.929 -0.727 46 HA ALA 6 HA ALA 6 7.604 -0.749 0.347 47 1HB ALA 6 1HB ALA 6 6.940 -2.759 1.499 48 2HB ALA 6 2HB ALA 6 8.308 -3.186 0.473 49 3HB ALA 6 3HB ALA 6 6.669 -3.609 -0.021 50 H GLN 7 HN GLN 7 9.349 -0.472 -1.000 51 HA GLN 7 HA GLN 7 9.253 -1.808 -3.667 52 1HB GLN 7 2HB GLN 7 10.139 0.329 -4.658 53 2HB GLN 7 1HB GLN 7 8.489 0.457 -4.050 54 1HG GLN 7 2HG GLN 7 9.086 1.825 -2.312 55 2HG GLN 7 1HG GLN 7 10.666 1.066 -2.117 56 1HE2 GLN 7 1HE2 GLN 7 12.422 2.219 -2.948 57 2HE2 GLN 7 2HE2 GLN 7 12.302 3.500 -4.055 58 H ASP 8 HN ASP 8 11.362 -2.029 -4.685 59 HA ASP 8 HA ASP 8 13.468 -2.497 -2.699 60 1HB ASP 8 2HB ASP 8 14.724 -3.407 -4.668 61 2HB ASP 8 1HB ASP 8 13.149 -4.164 -4.439 62 H ARG 9 HN ARG 9 15.787 -1.926 -3.957 63 HA ARG 9 HA ARG 9 16.174 0.837 -3.495 64 1HB ARG 9 2HB ARG 9 18.339 0.534 -4.712 65 2HB ARG 9 1HB ARG 9 18.053 -0.699 -3.486 66 1HG ARG 9 2HG ARG 9 18.613 -2.101 -5.212 67 2HG ARG 9 1HG ARG 9 16.902 -1.920 -5.596 68 1HD ARG 9 2HD ARG 9 17.419 -0.959 -7.560 69 2HD ARG 9 1HD ARG 9 18.339 0.294 -6.731 70 HE ARG 9 HE ARG 9 19.441 -2.154 -7.947 71 1HH1 ARG 9 1HH1 ARG 9 19.907 0.586 -5.855 72 2HH1 ARG 9 2HH1 ARG 9 21.631 0.515 -5.960 73 1HH2 ARG 9 1HH2 ARG 9 21.682 -2.225 -8.071 74 2HH2 ARG 9 2HH2 ARG 9 22.631 -1.063 -7.205 75 H ASP 10 HN ASP 10 15.579 -0.868 -6.582 76 HA ASP 10 HA ASP 10 15.822 1.525 -8.189 77 1HB ASP 10 2HB ASP 10 14.926 -1.282 -8.608 78 2HB ASP 10 1HB ASP 10 14.315 -0.079 -9.745 79 H GLY 11 HN GLY 11 13.200 -0.004 -6.444 80 1HA GLY 11 2HA GLY 11 11.330 1.420 -5.696 81 2HA GLY 11 1HA GLY 11 11.467 2.306 -7.212 82 H LEU 12 HN LEU 12 11.450 -1.227 -6.802 83 HA LEU 12 HA LEU 12 9.282 -1.425 -8.788 84 1HB LEU 12 2HB LEU 12 11.330 -2.990 -8.593 85 2HB LEU 12 1HB LEU 12 10.495 -3.700 -7.215 86 HG LEU 12 HG LEU 12 8.495 -4.044 -8.733 87 1HD1 LEU 12 1HD1 LEU 12 9.208 -2.369 -10.436 88 2HD1 LEU 12 2HD1 LEU 12 8.884 -3.952 -11.141 89 3HD1 LEU 12 3HD1 LEU 12 10.547 -3.428 -10.877 90 1HD2 LEU 12 1HD2 LEU 12 10.453 -5.712 -8.184 91 2HD2 LEU 12 2HD2 LEU 12 10.878 -5.467 -9.878 92 3HD2 LEU 12 3HD2 LEU 12 9.295 -6.115 -9.451 93 H ILE 13 HN ILE 13 7.285 -2.782 -8.221 94 HA ILE 13 HA ILE 13 6.668 -2.624 -5.309 95 HB ILE 13 HB ILE 13 4.292 -1.990 -6.043 96 1HG1 ILE 13 2HG1 ILE 13 5.397 -0.661 -8.427 97 2HG1 ILE 13 1HG1 ILE 13 5.307 -2.415 -8.565 98 1HG2 ILE 13 1HG2 ILE 13 6.160 0.225 -6.755 99 2HG2 ILE 13 2HG2 ILE 13 6.333 -0.508 -5.160 100 3HG2 ILE 13 3HG2 ILE 13 4.797 0.218 -5.635 101 1HD1 ILE 13 1HD1 ILE 13 2.991 -2.454 -8.340 102 2HD1 ILE 13 2HD1 ILE 13 3.217 -0.937 -9.210 103 3HD1 ILE 13 3HD1 ILE 13 2.948 -0.922 -7.467 104 H GLY 14 HN GLY 14 6.601 -4.467 -8.212 105 1HA GLY 14 2HA GLY 14 5.982 -6.893 -7.089 106 2HA GLY 14 1HA GLY 14 4.385 -6.195 -7.346 107 H LYS 15 HN LYS 15 6.169 -8.427 -8.666 108 HA LYS 15 HA LYS 15 5.634 -7.544 -11.473 109 1HB LYS 15 2HB LYS 15 8.054 -7.898 -10.909 110 2HB LYS 15 1HB LYS 15 7.677 -9.579 -10.534 111 1HG LYS 15 2HG LYS 15 6.547 -8.941 -13.095 112 2HG LYS 15 1HG LYS 15 8.239 -8.445 -13.087 113 1HD LYS 15 2HD LYS 15 8.421 -10.871 -11.855 114 2HD LYS 15 1HD LYS 15 7.070 -11.160 -12.951 115 1HE LYS 15 2HE LYS 15 8.367 -10.932 -14.832 116 2HE LYS 15 1HE LYS 15 9.424 -9.736 -14.085 117 1HZ LYS 15 1HE LYS 15 9.740 -12.561 -14.263 118 2HZ LYS 15 2HE LYS 15 9.830 -12.038 -12.649 119 3HZ LYS 15 3HE LYS 15 10.871 -11.379 -13.817 120 H ASP 16 HN ASP 16 4.104 -8.720 -12.511 121 HA ASP 16 HA ASP 16 2.527 -10.391 -12.919 122 1HB ASP 16 2HB ASP 16 5.028 -11.875 -12.167 123 2HB ASP 16 1HB ASP 16 3.541 -12.766 -12.495 124 H GLY 17 HN GLY 17 1.854 -9.221 -10.508 125 1HA GLY 17 2HA GLY 17 0.409 -9.754 -8.755 126 2HA GLY 17 1HA GLY 17 0.593 -11.454 -9.163 127 H HIS 18 HN HIS 18 2.556 -12.537 -8.377 128 HA HIS 18 HA HIS 18 3.013 -12.018 -5.608 129 1HB HIS 18 2HB HIS 18 4.727 -13.795 -5.786 130 2HB HIS 18 1HB HIS 18 3.226 -14.256 -6.589 131 HD1 HIS 18 HD1 HIS 18 6.791 -13.348 -7.268 132 HD2 HIS 18 HD2 HIS 18 3.376 -14.312 -9.455 133 HE1 HIS 18 HE1 HIS 18 7.555 -13.747 -9.649 134 H LEU 19 HN LEU 19 4.499 -10.796 -4.574 135 HA LEU 19 HA LEU 19 6.074 -8.832 -5.858 136 1HB LEU 19 2HB LEU 19 6.380 -10.158 -3.150 137 2HB LEU 19 1HB LEU 19 7.380 -8.800 -3.668 138 HG LEU 19 HG LEU 19 4.445 -8.487 -4.004 139 1HD1 LEU 19 1HD1 LEU 19 5.783 -8.278 -1.290 140 2HD1 LEU 19 2HD1 LEU 19 4.681 -9.571 -1.764 141 3HD1 LEU 19 3HD1 LEU 19 4.099 -7.909 -1.660 142 1HD2 LEU 19 1HD2 LEU 19 5.934 -6.403 -2.613 143 2HD2 LEU 19 2HD2 LEU 19 5.062 -6.316 -4.143 144 3HD2 LEU 19 3HD2 LEU 19 6.734 -6.873 -4.113 145 HA PRO 20 HA PRO 20 9.635 -11.059 -7.291 146 1HB PRO 20 2HB PRO 20 11.454 -8.917 -7.057 147 2HB PRO 20 1HB PRO 20 10.446 -9.297 -8.461 148 1HG PRO 20 2HG PRO 20 10.238 -7.048 -6.749 149 2HG PRO 20 1HG PRO 20 9.156 -7.499 -8.072 150 1HD PRO 20 2HD PRO 20 8.777 -7.813 -5.169 151 2HD PRO 20 1HD PRO 20 7.575 -7.815 -6.472 152 H TRP 21 HN TRP 21 9.991 -9.190 -4.298 153 HA TRP 21 HA TRP 21 12.260 -10.957 -3.507 154 1HB TRP 21 2HB TRP 21 12.621 -9.236 -1.716 155 2HB TRP 21 1HB TRP 21 12.751 -8.576 -3.347 156 HD1 TRP 21 HD1 TRP 21 10.350 -8.713 -0.358 157 HE1 TRP 21 HE1 TRP 21 8.657 -6.781 -0.576 158 HE3 TRP 21 HE3 TRP 21 11.645 -6.923 -4.961 159 HZ2 TRP 21 HZ2 TRP 21 7.945 -4.741 -2.457 160 HZ3 TRP 21 HZ3 TRP 21 10.445 -4.991 -5.939 161 HH2 TRP 21 HH2 TRP 21 8.601 -3.897 -4.697 162 H HIS 22 HN HIS 22 12.012 -12.365 -1.810 163 HA HIS 22 HA HIS 22 9.312 -12.600 -0.628 164 1HB HIS 22 2HB HIS 22 10.826 -14.560 -1.483 165 2HB HIS 22 1HB HIS 22 11.639 -14.379 0.072 166 HD1 HIS 22 HD1 HIS 22 10.705 -16.004 1.706 167 HD2 HIS 22 HD2 HIS 22 7.742 -14.511 -0.818 168 HE1 HIS 22 HE1 HIS 22 8.525 -17.045 2.466 169 H LEU 23 HN LEU 23 9.197 -10.882 0.854 170 HA LEU 23 HA LEU 23 11.115 -11.053 3.142 171 1HB LEU 23 2HB LEU 23 11.356 -9.007 1.586 172 2HB LEU 23 1HB LEU 23 9.807 -8.482 2.242 173 HG LEU 23 HG LEU 23 10.833 -8.763 4.560 174 1HD1 LEU 23 1HD1 LEU 23 13.244 -8.844 4.730 175 2HD1 LEU 23 2HD1 LEU 23 13.417 -8.754 2.977 176 3HD1 LEU 23 3HD1 LEU 23 12.734 -10.198 3.723 177 1HD2 LEU 23 1HD2 LEU 23 10.793 -6.620 2.859 178 2HD2 LEU 23 2HD2 LEU 23 12.516 -6.733 3.210 179 3HD2 LEU 23 3HD2 LEU 23 11.361 -6.537 4.527 180 HA PRO 24 HA PRO 24 6.972 -11.867 4.904 181 1HB PRO 24 2HB PRO 24 8.243 -13.025 7.174 182 2HB PRO 24 1HB PRO 24 7.422 -13.865 5.853 183 1HG PRO 24 2HG PRO 24 10.208 -13.808 6.420 184 2HG PRO 24 1HG PRO 24 9.390 -14.597 5.066 185 1HD PRO 24 2HD PRO 24 10.981 -12.174 5.058 186 2HD PRO 24 1HD PRO 24 10.324 -13.076 3.685 187 H ASP 25 HN ASP 25 9.855 -10.530 6.466 188 HA ASP 25 HA ASP 25 8.541 -9.409 8.752 189 1HB ASP 25 2HB ASP 25 11.119 -9.621 8.065 190 2HB ASP 25 1HB ASP 25 10.847 -7.967 7.515 191 H ASP 26 HN ASP 26 8.832 -8.369 5.419 192 HA ASP 26 HA ASP 26 7.950 -5.643 5.913 193 1HB ASP 26 2HB ASP 26 9.249 -6.071 3.927 194 2HB ASP 26 1HB ASP 26 8.130 -7.325 3.397 195 H LEU 27 HN LEU 27 6.366 -8.638 4.759 196 HA LEU 27 HA LEU 27 3.802 -7.606 4.232 197 1HB LEU 27 2HB LEU 27 4.667 -10.272 5.378 198 2HB LEU 27 1HB LEU 27 2.990 -9.916 4.961 199 HG LEU 27 HG LEU 27 5.184 -9.442 2.956 200 1HD1 LEU 27 1HD1 LEU 27 5.572 -11.724 3.493 201 2HD1 LEU 27 2HD1 LEU 27 4.518 -11.768 2.080 202 3HD1 LEU 27 3HD1 LEU 27 3.851 -12.053 3.687 203 1HD2 LEU 27 1HD2 LEU 27 3.196 -8.571 2.126 204 2HD2 LEU 27 2HD2 LEU 27 2.202 -9.746 2.987 205 3HD2 LEU 27 3HD2 LEU 27 3.080 -10.228 1.535 206 H HIS 28 HN HIS 28 5.268 -8.515 7.333 207 HA HIS 28 HA HIS 28 2.896 -8.130 8.917 208 1HB HIS 28 2HB HIS 28 5.829 -7.916 9.674 209 2HB HIS 28 1HB HIS 28 4.493 -7.969 10.825 210 HD1 HIS 28 HD1 HIS 28 2.737 -10.157 9.779 211 HD2 HIS 28 HD2 HIS 28 6.894 -10.466 9.719 212 HE1 HIS 28 HE1 HIS 28 3.270 -12.630 9.650 213 H TYR 29 HN TYR 29 5.518 -5.992 7.868 214 HA TYR 29 HA TYR 29 4.752 -3.701 9.421 215 1HB TYR 29 2HB TYR 29 6.938 -3.934 8.226 216 2HB TYR 29 1HB TYR 29 6.083 -3.762 6.693 217 HD1 TYR 29 HD1 TYR 29 6.335 -2.036 10.020 218 HD2 TYR 29 HD2 TYR 29 5.941 -1.633 5.762 219 HE1 TYR 29 HE1 TYR 29 6.429 0.432 10.245 220 HE2 TYR 29 HE2 TYR 29 6.034 0.835 5.986 221 HH TYR 29 HH TYR 29 5.479 2.529 7.891 222 H PHE 30 HN PHE 30 3.689 -5.014 6.347 223 HA PHE 30 HA PHE 30 2.124 -2.739 5.510 224 1HB PHE 30 2HB PHE 30 2.732 -4.377 3.854 225 2HB PHE 30 1HB PHE 30 2.013 -5.682 4.795 226 HD1 PHE 30 HD1 PHE 30 0.874 -2.281 3.688 227 HD2 PHE 30 HD2 PHE 30 0.053 -6.490 3.837 228 HE1 PHE 30 HE1 PHE 30 -1.301 -1.893 2.564 229 HE2 PHE 30 HE2 PHE 30 -2.122 -6.103 2.711 230 HZ PHE 30 HZ PHE 30 -2.796 -3.807 2.069 231 H ARG 31 HN ARG 31 1.237 -5.806 7.122 232 HA ARG 31 HA ARG 31 -1.534 -5.141 7.431 233 1HB ARG 31 2HB ARG 31 -0.463 -7.442 7.650 234 2HB ARG 31 1HB ARG 31 0.078 -6.941 9.252 235 1HG ARG 31 2HG ARG 31 -2.747 -6.345 8.832 236 2HG ARG 31 1HG ARG 31 -2.401 -8.062 8.629 237 1HD ARG 31 2HD ARG 31 -1.389 -6.474 10.988 238 2HD ARG 31 1HD ARG 31 -2.935 -7.317 11.009 239 HE ARG 31 HE ARG 31 -1.541 -9.412 10.454 240 1HH1 ARG 31 1HH2 ARG 31 -0.259 -6.665 12.169 241 2HH1 ARG 31 2HH2 ARG 31 0.953 -7.597 12.973 242 1HH2 ARG 31 1HH1 ARG 31 0.035 -10.596 11.514 243 2HH2 ARG 31 2HH1 ARG 31 1.120 -9.805 12.609 244 H ALA 32 HN ALA 32 1.321 -4.558 9.437 245 HA ALA 32 HA ALA 32 -0.136 -3.586 11.730 246 1HB ALA 32 1HB ALA 32 2.434 -2.353 11.597 247 2HB ALA 32 2HB ALA 32 2.599 -4.002 10.993 248 3HB ALA 32 3HB ALA 32 1.933 -3.714 12.600 249 H GLN 33 HN GLN 33 1.334 -2.021 8.911 250 HA GLN 33 HA GLN 33 0.820 0.677 9.767 251 1HB GLN 33 2HB GLN 33 1.391 -0.579 7.086 252 2HB GLN 33 1HB GLN 33 1.086 1.150 7.256 253 1HG GLN 33 2HG GLN 33 3.069 -0.094 9.106 254 2HG GLN 33 1HG GLN 33 3.554 0.165 7.428 255 1HE2 GLN 33 1HE2 GLN 33 3.114 1.723 10.461 256 2HE2 GLN 33 2HE2 GLN 33 3.312 3.320 9.923 257 H THR 34 HN THR 34 -1.318 -1.738 8.630 258 HA THR 34 HA THR 34 -3.325 0.383 7.953 259 HB THR 34 HB THR 34 -4.419 -1.345 6.513 260 HG1 THR 34 HG1 THR 34 -2.011 -2.776 6.923 261 1HG2 THR 34 1HG2 THR 34 -2.236 -1.464 4.937 262 2HG2 THR 34 2HG2 THR 34 -1.700 -0.228 6.078 263 3HG2 THR 34 3HG2 THR 34 -3.179 0.012 5.147 264 H VAL 35 HN VAL 35 -2.756 -0.853 10.614 265 HA VAL 35 HA VAL 35 -5.052 -2.619 11.095 266 HB VAL 35 HB VAL 35 -4.297 -2.615 13.433 267 1HG1 VAL 35 1HG1 VAL 35 -3.080 -3.831 11.406 268 2HG1 VAL 35 2HG1 VAL 35 -2.423 -3.911 13.041 269 3HG1 VAL 35 3HG1 VAL 35 -1.753 -2.770 11.876 270 1HG2 VAL 35 1HG2 VAL 35 -3.586 -0.370 13.798 271 2HG2 VAL 35 2HG2 VAL 35 -2.478 -0.415 12.428 272 3HG2 VAL 35 3HG2 VAL 35 -2.113 -1.334 13.888 273 H GLY 36 HN GLY 36 -7.051 -1.876 11.488 274 1HA GLY 36 2HA GLY 36 -8.774 -0.540 12.370 275 2HA GLY 36 1HA GLY 36 -7.549 0.377 13.241 276 H LYS 37 HN LYS 37 -6.903 0.185 9.879 277 HA LYS 37 HA LYS 37 -8.183 2.863 9.488 278 1HB LYS 37 2HB LYS 37 -5.425 1.909 8.702 279 2HB LYS 37 1HB LYS 37 -6.181 3.318 7.957 280 1HG LYS 37 2HG LYS 37 -6.378 4.430 10.096 281 2HG LYS 37 1HG LYS 37 -5.837 2.984 10.948 282 1HD LYS 37 2HD LYS 37 -3.775 3.924 10.835 283 2HD LYS 37 1HD LYS 37 -3.788 3.384 9.156 284 1HE LYS 37 2HE LYS 37 -4.343 5.500 8.339 285 2HE LYS 37 1HE LYS 37 -5.052 6.014 9.869 286 1HZ LYS 37 1HE LYS 37 -2.656 6.778 9.091 287 2HZ LYS 37 2HE LYS 37 -2.214 5.342 9.883 288 3HZ LYS 37 3HE LYS 37 -3.048 6.559 10.726 289 H ILE 38 HN ILE 38 -8.576 3.376 7.133 290 HA ILE 38 HA ILE 38 -9.828 1.089 5.842 291 HB ILE 38 HB ILE 38 -9.329 3.845 4.677 292 1HG1 ILE 38 2HG1 ILE 38 -11.723 2.867 6.265 293 2HG1 ILE 38 1HG1 ILE 38 -10.461 3.912 6.918 294 1HG2 ILE 38 1HG2 ILE 38 -11.375 3.300 3.375 295 2HG2 ILE 38 2HG2 ILE 38 -11.395 1.699 4.114 296 3HG2 ILE 38 3HG2 ILE 38 -10.065 2.164 3.054 297 1HD1 ILE 38 1HD1 ILE 38 -11.059 5.713 5.540 298 2HD1 ILE 38 2HD1 ILE 38 -12.619 5.017 5.958 299 3HD1 ILE 38 3HD1 ILE 38 -11.896 4.678 4.386 300 H MET 39 HN MET 39 -8.798 -0.334 4.541 301 HA MET 39 HA MET 39 -6.179 0.453 3.348 302 1HB MET 39 2HB MET 39 -6.344 -1.565 4.859 303 2HB MET 39 1HB MET 39 -7.368 -2.317 3.638 304 1HG MET 39 2HG MET 39 -5.502 -1.929 1.973 305 2HG MET 39 1HG MET 39 -4.485 -1.452 3.335 306 1HE MET 39 1HE MET 39 -6.333 -5.551 2.463 307 2HE MET 39 2HE MET 39 -5.869 -4.371 1.242 308 3HE MET 39 3HE MET 39 -7.162 -3.991 2.378 309 H VAL 40 HN VAL 40 -6.406 1.160 1.254 310 HA VAL 40 HA VAL 40 -8.581 0.038 -0.424 311 HB VAL 40 HB VAL 40 -6.613 2.205 -1.190 312 1HG1 VAL 40 1HG1 VAL 40 -9.441 1.580 -2.089 313 2HG1 VAL 40 2HG1 VAL 40 -7.982 1.155 -2.983 314 3HG1 VAL 40 3HG1 VAL 40 -8.402 2.850 -2.736 315 1HG2 VAL 40 1HG2 VAL 40 -7.534 3.315 0.593 316 2HG2 VAL 40 2HG2 VAL 40 -8.941 2.253 0.658 317 3HG2 VAL 40 3HG2 VAL 40 -8.873 3.555 -0.530 318 H VAL 41 HN VAL 41 -8.135 -1.695 -1.663 319 HA VAL 41 HA VAL 41 -5.426 -1.916 -2.903 320 HB VAL 41 HB VAL 41 -5.777 -4.464 -2.611 321 1HG1 VAL 41 1HG1 VAL 41 -4.179 -2.866 -1.359 322 2HG1 VAL 41 2HG1 VAL 41 -4.525 -4.426 -0.613 323 3HG1 VAL 41 3HG1 VAL 41 -5.334 -2.971 -0.031 324 1HG2 VAL 41 1HG2 VAL 41 -7.493 -5.203 -1.337 325 2HG2 VAL 41 2HG2 VAL 41 -8.191 -3.601 -1.546 326 3HG2 VAL 41 3HG2 VAL 41 -7.229 -3.965 -0.113 327 H GLY 42 HN GLY 42 -5.495 -2.412 -5.077 328 1HA GLY 42 2HA GLY 42 -7.906 -2.298 -6.552 329 2HA GLY 42 1HA GLY 42 -6.387 -2.937 -7.178 330 H ARG 43 HN ARG 43 -9.290 -3.867 -7.357 331 HA ARG 43 HA ARG 43 -9.772 -6.221 -5.911 332 1HB ARG 43 2HB ARG 43 -11.364 -5.076 -7.469 333 2HB ARG 43 1HB ARG 43 -10.460 -5.744 -8.824 334 1HG ARG 43 2HG ARG 43 -11.312 -7.677 -6.734 335 2HG ARG 43 1HG ARG 43 -12.596 -6.986 -7.724 336 1HD ARG 43 2HD ARG 43 -10.099 -8.277 -8.861 337 2HD ARG 43 1HD ARG 43 -11.632 -9.114 -8.657 338 HE ARG 43 HE ARG 43 -11.993 -6.689 -10.179 339 1HH1 ARG 43 1HH2 ARG 43 -10.790 -9.942 -10.305 340 2HH1 ARG 43 2HH2 ARG 43 -11.053 -10.104 -12.008 341 1HH2 ARG 43 1HH1 ARG 43 -12.330 -6.918 -12.413 342 2HH2 ARG 43 2HH1 ARG 43 -11.919 -8.406 -13.191 343 H ARG 44 HN ARG 44 -7.324 -5.729 -8.345 344 HA ARG 44 HA ARG 44 -7.214 -8.618 -8.969 345 1HB ARG 44 2HB ARG 44 -5.959 -6.163 -10.020 346 2HB ARG 44 1HB ARG 44 -4.954 -7.611 -10.084 347 1HG ARG 44 2HG ARG 44 -6.787 -8.822 -11.222 348 2HG ARG 44 1HG ARG 44 -7.774 -7.362 -11.177 349 1HD ARG 44 2HD ARG 44 -6.807 -6.634 -13.068 350 2HD ARG 44 1HD ARG 44 -5.222 -6.690 -12.297 351 HE ARG 44 HE ARG 44 -5.633 -9.315 -12.944 352 1HH1 ARG 44 1HH1 ARG 44 -5.961 -6.349 -14.724 353 2HH1 ARG 44 2HH1 ARG 44 -5.593 -7.087 -16.244 354 1HH2 ARG 44 1HH2 ARG 44 -5.155 -10.258 -14.925 355 2HH2 ARG 44 2HH2 ARG 44 -5.138 -9.286 -16.359 356 H THR 45 HN THR 45 -5.245 -6.206 -7.258 357 HA THR 45 HA THR 45 -3.246 -8.129 -6.416 358 HB THR 45 HB THR 45 -4.031 -5.385 -5.380 359 HG1 THR 45 HG1 THR 45 -2.859 -5.821 -7.485 360 1HG2 THR 45 1HG2 THR 45 -1.447 -6.025 -4.480 361 2HG2 THR 45 2HG2 THR 45 -2.423 -7.443 -4.112 362 3HG2 THR 45 3HG2 THR 45 -2.897 -5.861 -3.494 363 H TYR 46 HN TYR 46 -6.128 -6.687 -4.908 364 HA TYR 46 HA TYR 46 -6.027 -8.040 -2.410 365 1HB TYR 46 2HB TYR 46 -7.631 -6.208 -2.986 366 2HB TYR 46 1HB TYR 46 -8.513 -7.347 -4.000 367 HD1 TYR 46 HD1 TYR 46 -10.129 -8.790 -3.070 368 HD2 TYR 46 HD2 TYR 46 -7.323 -6.811 -0.491 369 HE1 TYR 46 HE1 TYR 46 -11.392 -9.576 -1.090 370 HE2 TYR 46 HE2 TYR 46 -8.585 -7.601 1.489 371 HH TYR 46 HH TYR 46 -10.401 -9.918 1.707 372 H GLU 47 HN GLU 47 -7.393 -9.047 -5.536 373 HA GLU 47 HA GLU 47 -8.395 -11.579 -4.541 374 1HB GLU 47 2HB GLU 47 -8.002 -10.327 -7.231 375 2HB GLU 47 1HB GLU 47 -8.224 -12.075 -7.150 376 1HG GLU 47 HG2 GLU 47 -10.241 -11.507 -5.596 377 2HG GLU 47 HG1 GLU 47 -10.119 -9.895 -6.302 378 H SER 48 HN SER 48 -5.282 -10.419 -5.215 379 HA SER 48 HA SER 48 -4.205 -13.142 -5.754 380 1HB SER 48 2HB SER 48 -3.134 -10.356 -6.069 381 2HB SER 48 1HB SER 48 -2.002 -11.691 -5.874 382 HG SER 48 HG SER 48 -3.469 -10.971 -8.024 383 H PHE 49 HN PHE 49 -4.594 -10.790 -3.264 384 HA PHE 49 HA PHE 49 -2.521 -11.038 -1.494 385 1HB PHE 49 2HB PHE 49 -5.414 -10.663 -1.246 386 2HB PHE 49 1HB PHE 49 -4.701 -11.400 0.186 387 HD1 PHE 49 HD1 PHE 49 -4.237 -8.557 -2.200 388 HD2 PHE 49 HD2 PHE 49 -3.571 -10.080 1.754 389 HE1 PHE 49 HE1 PHE 49 -3.376 -6.344 -1.496 390 HE2 PHE 49 HE2 PHE 49 -2.706 -7.873 2.459 391 HZ PHE 49 HZ PHE 49 -2.608 -6.000 0.833 392 HA PRO 50 HA PRO 50 -2.237 -15.266 -0.111 393 1HB PRO 50 2HB PRO 50 -1.031 -14.736 2.334 394 2HB PRO 50 1HB PRO 50 -0.187 -14.805 0.780 395 1HG PRO 50 2HG PRO 50 -0.661 -12.515 2.458 396 2HG PRO 50 1HG PRO 50 0.268 -12.610 0.955 397 1HD PRO 50 2HD PRO 50 -2.436 -11.588 1.382 398 2HD PRO 50 1HD PRO 50 -1.380 -11.404 -0.028 399 H LYS 51 HN LYS 51 -2.891 -13.249 2.788 400 HA LYS 51 HA LYS 51 -5.198 -15.065 3.378 401 1HB LYS 51 2HB LYS 51 -4.024 -13.704 5.710 402 2HB LYS 51 1HB LYS 51 -4.516 -15.383 5.522 403 1HG LYS 51 2HG LYS 51 -2.404 -16.060 5.068 404 2HG LYS 51 1HG LYS 51 -2.115 -14.718 3.965 405 1HD LYS 51 2HD LYS 51 -2.185 -14.322 6.956 406 2HD LYS 51 1HD LYS 51 -0.702 -14.768 6.111 407 1HE LYS 51 2HE LYS 51 -2.289 -12.483 5.022 408 2HE LYS 51 1HE LYS 51 -1.363 -12.210 6.498 409 1HZ LYS 51 1HE LYS 51 -0.153 -13.484 4.121 410 2HZ LYS 51 2HE LYS 51 0.625 -12.745 5.438 411 3HZ LYS 51 3HE LYS 51 -0.200 -11.797 4.294 412 H ARG 52 HN ARG 52 -6.838 -13.711 2.636 413 HA ARG 52 HA ARG 52 -7.112 -11.125 4.108 414 1HB ARG 52 2HB ARG 52 -8.168 -10.200 1.994 415 2HB ARG 52 1HB ARG 52 -6.431 -10.486 1.892 416 1HG ARG 52 2HG ARG 52 -6.728 -11.922 0.187 417 2HG ARG 52 1HG ARG 52 -7.830 -12.896 1.159 418 1HD ARG 52 2HD ARG 52 -9.687 -11.385 0.571 419 2HD ARG 52 1HD ARG 52 -8.586 -10.413 -0.405 420 HE ARG 52 HE ARG 52 -8.229 -12.767 -1.600 421 1HH1 ARG 52 1HH1 ARG 52 -11.165 -11.354 -0.384 422 2HH1 ARG 52 2HH1 ARG 52 -12.167 -12.168 -1.533 423 1HH2 ARG 52 1HH2 ARG 52 -9.553 -13.821 -3.083 424 2HH2 ARG 52 2HH2 ARG 52 -11.264 -13.555 -3.050 425 HA PRO 53 HA PRO 53 -8.625 -9.480 3.898 426 1HB PRO 53 2HB PRO 53 -10.518 -8.658 5.792 427 2HB PRO 53 1HB PRO 53 -10.632 -8.432 4.042 428 1HG PRO 53 2HG PRO 53 -12.232 -10.116 5.707 429 2HG PRO 53 1HG PRO 53 -12.338 -9.891 3.955 430 1HD PRO 53 2HD PRO 53 -11.166 -12.112 5.463 431 2HD PRO 53 1HD PRO 53 -11.608 -12.029 3.750 432 H LEU 54 HN LEU 54 -8.125 -8.092 5.962 433 HA LEU 54 HA LEU 54 -6.655 -9.841 7.811 434 1HB LEU 54 2HB LEU 54 -6.865 -6.817 7.681 435 2HB LEU 54 1HB LEU 54 -5.761 -7.714 8.723 436 HG LEU 54 HG LEU 54 -5.793 -8.115 5.730 437 1HD1 LEU 54 1HD1 LEU 54 -5.352 -5.677 6.535 438 2HD1 LEU 54 2HD1 LEU 54 -4.185 -6.415 5.438 439 3HD1 LEU 54 3HD1 LEU 54 -3.836 -6.323 7.164 440 1HD2 LEU 54 1HD2 LEU 54 -4.537 -9.834 6.644 441 2HD2 LEU 54 2HD2 LEU 54 -4.075 -8.886 8.056 442 3HD2 LEU 54 3HD2 LEU 54 -3.286 -8.600 6.505 443 HA PRO 55 HA PRO 55 -9.626 -9.886 11.097 444 1HB PRO 55 2HB PRO 55 -7.713 -10.025 13.178 445 2HB PRO 55 1HB PRO 55 -8.522 -11.381 12.382 446 1HG PRO 55 2HG PRO 55 -5.777 -10.552 12.169 447 2HG PRO 55 1HG PRO 55 -6.561 -11.978 11.477 448 1HD PRO 55 2HD PRO 55 -5.709 -9.608 10.116 449 2HD PRO 55 1HD PRO 55 -6.503 -11.033 9.433 450 H GLU 56 HN GLU 56 -10.611 -8.342 12.354 451 HA GLU 56 HA GLU 56 -11.025 -6.169 13.169 452 1HB GLU 56 2HB GLU 56 -8.542 -7.187 14.456 453 2HB GLU 56 1HB GLU 56 -8.908 -5.476 14.678 454 1HG GLU 56 HG2 GLU 56 -10.424 -6.020 16.247 455 2HG GLU 56 HG1 GLU 56 -11.348 -6.897 15.027 456 H ARG 57 HN ARG 57 -9.983 -6.121 10.530 457 HA ARG 57 HA ARG 57 -8.526 -3.517 10.621 458 1HB ARG 57 2HB ARG 57 -7.701 -6.051 9.287 459 2HB ARG 57 1HB ARG 57 -7.452 -4.557 8.385 460 1HG ARG 57 2HG ARG 57 -5.638 -4.091 9.628 461 2HG ARG 57 1HG ARG 57 -6.623 -4.109 11.090 462 1HD ARG 57 2HD ARG 57 -6.298 -6.815 10.396 463 2HD ARG 57 1HD ARG 57 -4.713 -6.081 10.152 464 HE ARG 57 HE ARG 57 -5.628 -5.129 12.627 465 1HH1 ARG 57 1HH2 ARG 57 -4.914 -8.172 11.126 466 2HH1 ARG 57 2HH2 ARG 57 -4.456 -8.933 12.611 467 1HH2 ARG 57 1HH1 ARG 57 -5.027 -6.125 14.554 468 2HH2 ARG 57 2HH1 ARG 57 -4.517 -7.780 14.542 469 H THR 58 HN THR 58 -9.192 -2.051 9.029 470 HA THR 58 HA THR 58 -11.662 -2.767 7.602 471 HB THR 58 HB THR 58 -10.223 -0.142 7.301 472 HG1 THR 58 HG1 THR 58 -11.869 -0.913 9.475 473 1HG2 THR 58 1HG2 THR 58 -12.584 -1.112 6.315 474 2HG2 THR 58 2HG2 THR 58 -12.233 0.600 6.552 475 3HG2 THR 58 3HG2 THR 58 -13.126 -0.296 7.781 476 H ASN 59 HN ASN 59 -11.499 -3.728 5.648 477 HA ASN 59 HA ASN 59 -9.187 -2.980 3.905 478 1HB ASN 59 2HB ASN 59 -10.648 -5.617 4.216 479 2HB ASN 59 1HB ASN 59 -9.557 -5.277 2.873 480 1HD2 ASN 59 1HD2 ASN 59 -9.517 -4.965 6.485 481 2HD2 ASN 59 2HD2 ASN 59 -7.918 -5.508 6.653 482 H VAL 60 HN VAL 60 -9.774 -2.073 1.948 483 HA VAL 60 HA VAL 60 -12.626 -2.399 1.116 484 HB VAL 60 HB VAL 60 -10.883 0.033 0.630 485 1HG1 VAL 60 1HG1 VAL 60 -12.720 0.966 -0.381 486 2HG1 VAL 60 2HG1 VAL 60 -13.858 0.093 0.645 487 3HG1 VAL 60 3HG1 VAL 60 -13.088 -0.727 -0.713 488 1HG2 VAL 60 1HG2 VAL 60 -12.545 1.018 2.388 489 2HG2 VAL 60 2HG2 VAL 60 -11.168 0.080 2.965 490 3HG2 VAL 60 3HG2 VAL 60 -12.765 -0.661 2.879 491 H VAL 61 HN VAL 61 -12.896 -3.084 -0.991 492 HA VAL 61 HA VAL 61 -10.410 -3.409 -2.606 493 HB VAL 61 HB VAL 61 -13.096 -4.732 -3.066 494 1HG1 VAL 61 1HG1 VAL 61 -11.495 -4.696 -4.959 495 2HG1 VAL 61 2HG1 VAL 61 -11.745 -6.332 -4.349 496 3HG1 VAL 61 3HG1 VAL 61 -10.277 -5.449 -3.929 497 1HG2 VAL 61 1HG2 VAL 61 -10.857 -5.404 -1.197 498 2HG2 VAL 61 2HG2 VAL 61 -11.675 -6.727 -2.031 499 3HG2 VAL 61 3HG2 VAL 61 -12.594 -5.636 -0.992 500 H LEU 62 HN LEU 62 -10.489 -2.856 -4.868 501 HA LEU 62 HA LEU 62 -12.696 -0.959 -5.560 502 1HB LEU 62 2HB LEU 62 -9.796 -0.596 -5.590 503 2HB LEU 62 1HB LEU 62 -10.516 -0.278 -7.171 504 HG LEU 62 HG LEU 62 -12.226 1.167 -6.006 505 1HD1 LEU 62 1HD1 LEU 62 -11.931 0.154 -3.758 506 2HD1 LEU 62 2HD1 LEU 62 -11.715 1.904 -3.718 507 3HD1 LEU 62 3HD1 LEU 62 -10.309 0.840 -3.676 508 1HD2 LEU 62 1HD2 LEU 62 -9.606 1.751 -6.794 509 2HD2 LEU 62 2HD2 LEU 62 -9.747 2.501 -5.205 510 3HD2 LEU 62 3HD2 LEU 62 -10.882 2.929 -6.485 511 H THR 63 HN THR 63 -13.872 -1.675 -7.258 512 HA THR 63 HA THR 63 -12.524 -3.187 -9.419 513 HB THR 63 HB THR 63 -13.256 -4.927 -7.845 514 HG1 THR 63 HG1 THR 63 -13.717 -5.949 -9.594 515 1HG2 THR 63 1HG2 THR 63 -15.404 -5.071 -6.966 516 2HG2 THR 63 2HG2 THR 63 -16.112 -4.130 -8.278 517 3HG2 THR 63 3HG2 THR 63 -15.176 -3.323 -7.020 518 H HIS 64 HN HIS 64 -13.967 -3.442 -11.319 519 HA HIS 64 HA HIS 64 -15.802 -1.112 -11.523 520 1HB HIS 64 2HB HIS 64 -14.212 -2.730 -13.489 521 2HB HIS 64 1HB HIS 64 -15.634 -1.852 -14.049 522 HD1 HIS 64 HD1 HIS 64 -15.610 0.789 -12.926 523 HD2 HIS 64 HD2 HIS 64 -11.989 -1.126 -13.698 524 HE1 HIS 64 HE1 HIS 64 -13.853 2.607 -13.062 525 H GLN 65 HN GLN 65 -16.253 -4.154 -10.557 526 HA GLN 65 HA GLN 65 -18.335 -5.018 -12.415 527 1HB GLN 65 2HB GLN 65 -17.101 -6.054 -9.909 528 2HB GLN 65 1HB GLN 65 -18.744 -6.585 -10.268 529 1HG GLN 65 2HG GLN 65 -17.155 -8.151 -11.264 530 2HG GLN 65 1HG GLN 65 -17.988 -7.269 -12.545 531 1HE2 GLN 65 1HE2 GLN 65 -14.971 -7.092 -10.579 532 2HE2 GLN 65 2HE2 GLN 65 -14.031 -6.401 -11.812 533 H GLU 66 HN GLU 66 -20.496 -5.738 -11.118 534 HA GLU 66 HA GLU 66 -21.431 -3.280 -9.688 535 1HB GLU 66 2HB GLU 66 -22.740 -5.001 -11.779 536 2HB GLU 66 1HB GLU 66 -23.730 -4.088 -10.641 537 1HG GLU 66 HG2 GLU 66 -21.616 -2.407 -11.677 538 2HG GLU 66 HG1 GLU 66 -22.526 -3.123 -13.007 539 H ASP 67 HN ASP 67 -21.481 -6.806 -9.802 540 HA ASP 67 HA ASP 67 -23.025 -6.788 -7.242 541 1HB ASP 67 2HB ASP 67 -23.452 -8.248 -9.597 542 2HB ASP 67 1HB ASP 67 -22.743 -9.408 -8.475 543 H TYR 68 HN TYR 68 -20.189 -6.270 -7.286 544 HA TYR 68 HA TYR 68 -18.638 -8.622 -6.765 545 1HB TYR 68 2HB TYR 68 -17.870 -6.150 -7.122 546 2HB TYR 68 1HB TYR 68 -18.120 -5.998 -5.384 547 HD1 TYR 68 HD1 TYR 68 -16.207 -7.760 -8.019 548 HD2 TYR 68 HD2 TYR 68 -16.657 -7.099 -3.799 549 HE1 TYR 68 HE1 TYR 68 -14.023 -8.862 -7.612 550 HE2 TYR 68 HE2 TYR 68 -14.473 -8.198 -3.392 551 HH TYR 68 HH TYR 68 -12.465 -8.768 -4.514 552 H GLN 69 HN GLN 69 -18.924 -10.033 -5.109 553 HA GLN 69 HA GLN 69 -20.298 -9.056 -2.644 554 1HB GLN 69 2HB GLN 69 -19.867 -11.898 -3.615 555 2HB GLN 69 1HB GLN 69 -20.808 -11.416 -2.202 556 1HG GLN 69 2HG GLN 69 -21.497 -10.151 -4.817 557 2HG GLN 69 1HG GLN 69 -21.968 -11.834 -4.574 558 1HE2 GLN 69 1HE2 GLN 69 -23.325 -8.899 -4.371 559 2HE2 GLN 69 2HE2 GLN 69 -24.332 -9.099 -3.020 560 H ALA 70 HN ALA 70 -18.821 -8.472 -1.108 561 HA ALA 70 HA ALA 70 -16.610 -10.388 -0.546 562 1HB ALA 70 1HB ALA 70 -14.969 -8.659 -0.428 563 2HB ALA 70 2HB ALA 70 -16.193 -7.393 -0.533 564 3HB ALA 70 3HB ALA 70 -15.835 -8.392 -1.942 565 H GLN 71 HN GLN 71 -17.760 -11.061 1.343 566 HA GLN 71 HA GLN 71 -18.688 -9.141 3.323 567 1HB GLN 71 2HB GLN 71 -18.136 -12.121 3.528 568 2HB GLN 71 1HB GLN 71 -18.927 -11.159 4.777 569 1HG GLN 71 2HG GLN 71 -20.431 -10.459 2.635 570 2HG GLN 71 1HG GLN 71 -19.977 -12.097 2.164 571 1HE2 GLN 71 1HE2 GLN 71 -22.037 -10.246 4.249 572 2HE2 GLN 71 2HE2 GLN 71 -22.696 -11.553 5.108 573 H GLY 72 HN GLY 72 -17.659 -8.804 5.446 574 1HA GLY 72 2HA GLY 72 -15.809 -8.781 6.939 575 2HA GLY 72 1HA GLY 72 -14.899 -9.760 5.787 576 H ALA 73 HN ALA 73 -15.173 -8.133 3.481 577 HA ALA 73 HA ALA 73 -13.483 -5.818 4.268 578 1HB ALA 73 1HB ALA 73 -12.338 -7.191 2.694 579 2HB ALA 73 2HB ALA 73 -12.962 -5.839 1.750 580 3HB ALA 73 3HB ALA 73 -13.785 -7.398 1.708 581 H VAL 74 HN VAL 74 -13.800 -4.002 2.356 582 HA VAL 74 HA VAL 74 -16.745 -3.483 2.245 583 HB VAL 74 HB VAL 74 -14.448 -1.492 2.253 584 1HG1 VAL 74 1HG1 VAL 74 -16.524 -0.813 1.008 585 2HG1 VAL 74 2HG1 VAL 74 -16.174 0.205 2.406 586 3HG1 VAL 74 3HG1 VAL 74 -17.433 -1.026 2.504 587 1HG2 VAL 74 1HG2 VAL 74 -14.481 -2.071 4.475 588 2HG2 VAL 74 2HG2 VAL 74 -16.127 -2.700 4.392 589 3HG2 VAL 74 3HG2 VAL 74 -15.852 -0.961 4.499 590 H VAL 75 HN VAL 75 -17.581 -3.021 0.138 591 HA VAL 75 HA VAL 75 -15.560 -3.245 -2.048 592 HB VAL 75 HB VAL 75 -18.532 -3.789 -2.210 593 1HG1 VAL 75 1HG1 VAL 75 -16.382 -3.609 -4.125 594 2HG1 VAL 75 2HG1 VAL 75 -18.096 -3.908 -4.413 595 3HG1 VAL 75 3HG1 VAL 75 -17.009 -5.255 -4.088 596 1HG2 VAL 75 1HG2 VAL 75 -16.206 -5.540 -1.451 597 2HG2 VAL 75 2HG2 VAL 75 -17.578 -6.234 -2.313 598 3HG2 VAL 75 3HG2 VAL 75 -17.820 -5.470 -0.743 599 H VAL 76 HN VAL 76 -15.337 -1.573 -3.441 600 HA VAL 76 HA VAL 76 -17.547 0.390 -3.743 601 HB VAL 76 HB VAL 76 -15.891 2.260 -3.575 602 1HG1 VAL 76 1HG1 VAL 76 -15.995 2.390 -1.228 603 2HG1 VAL 76 2HG1 VAL 76 -15.784 0.650 -1.030 604 3HG1 VAL 76 3HG1 VAL 76 -17.316 1.291 -1.624 605 1HG2 VAL 76 1HG2 VAL 76 -13.966 0.568 -2.100 606 2HG2 VAL 76 2HG2 VAL 76 -13.667 1.901 -3.214 607 3HG2 VAL 76 3HG2 VAL 76 -14.008 0.289 -3.840 608 H HIS 77 HN HIS 77 -17.243 1.707 -5.750 609 HA HIS 77 HA HIS 77 -15.289 0.509 -7.662 610 1HB HIS 77 2HB HIS 77 -18.104 1.186 -8.511 611 2HB HIS 77 1HB HIS 77 -16.918 0.177 -9.338 612 HD1 HIS 77 HD1 HIS 77 -16.351 -2.157 -8.125 613 HD2 HIS 77 HD2 HIS 77 -19.780 -0.212 -6.780 614 HE1 HIS 77 HE1 HIS 77 -17.690 -3.879 -6.837 615 H ASP 78 HN ASP 78 -15.376 3.093 -6.176 616 HA ASP 78 HA ASP 78 -14.706 4.803 -8.396 617 1HB ASP 78 2HB ASP 78 -17.440 4.736 -7.781 618 2HB ASP 78 1HB ASP 78 -16.849 6.209 -7.012 619 H VAL 79 HN VAL 79 -12.935 5.722 -7.484 620 HA VAL 79 HA VAL 79 -12.198 5.941 -4.842 621 HB VAL 79 HB VAL 79 -11.731 7.984 -7.034 622 1HG1 VAL 79 1HG1 VAL 79 -11.138 9.152 -5.093 623 2HG1 VAL 79 2HG1 VAL 79 -9.619 8.372 -5.534 624 3HG1 VAL 79 3HG1 VAL 79 -10.623 7.688 -4.254 625 1HG2 VAL 79 1HG2 VAL 79 -10.885 5.328 -6.787 626 2HG2 VAL 79 2HG2 VAL 79 -9.510 6.277 -6.221 627 3HG2 VAL 79 3HG2 VAL 79 -10.170 6.556 -7.831 628 H ALA 80 HN ALA 80 -14.534 7.984 -6.510 629 HA ALA 80 HA ALA 80 -14.704 10.114 -4.637 630 1HB ALA 80 1HB ALA 80 -16.973 10.469 -5.524 631 2HB ALA 80 2HB ALA 80 -16.943 8.869 -6.264 632 3HB ALA 80 3HB ALA 80 -15.846 10.125 -6.837 633 H ALA 81 HN ALA 81 -16.352 6.956 -4.709 634 HA ALA 81 HA ALA 81 -17.954 7.408 -2.370 635 1HB ALA 81 1HB ALA 81 -18.646 5.597 -3.709 636 2HB ALA 81 2HB ALA 81 -17.911 4.809 -2.313 637 3HB ALA 81 3HB ALA 81 -17.013 4.942 -3.825 638 H VAL 82 HN VAL 82 -14.775 5.821 -2.817 639 HA VAL 82 HA VAL 82 -14.360 5.046 -0.125 640 HB VAL 82 HB VAL 82 -12.178 6.096 -1.941 641 1HG1 VAL 82 1HG1 VAL 82 -11.062 5.497 -0.037 642 2HG1 VAL 82 2HG1 VAL 82 -11.220 3.876 -0.712 643 3HG1 VAL 82 3HG1 VAL 82 -12.358 4.436 0.513 644 1HG2 VAL 82 1HG2 VAL 82 -13.740 3.514 -2.034 645 2HG2 VAL 82 2HG2 VAL 82 -12.084 3.600 -2.635 646 3HG2 VAL 82 3HG2 VAL 82 -13.339 4.603 -3.361 647 H PHE 83 HN PHE 83 -13.630 8.134 -1.741 648 HA PHE 83 HA PHE 83 -12.378 9.399 0.491 649 1HB PHE 83 2HB PHE 83 -13.701 10.318 -2.027 650 2HB PHE 83 1HB PHE 83 -13.422 11.514 -0.763 651 HD1 PHE 83 HD1 PHE 83 -12.023 10.121 -3.619 652 HD2 PHE 83 HD2 PHE 83 -10.970 11.201 0.401 653 HE1 PHE 83 HE1 PHE 83 -9.640 10.274 -4.284 654 HE2 PHE 83 HE2 PHE 83 -8.588 11.354 -0.265 655 HZ PHE 83 HZ PHE 83 -7.922 10.889 -2.606 656 H ALA 84 HN ALA 84 -15.736 8.789 -0.264 657 HA ALA 84 HA ALA 84 -16.814 10.783 1.545 658 1HB ALA 84 1HB ALA 84 -18.103 8.283 0.412 659 2HB ALA 84 2HB ALA 84 -18.129 9.879 -0.338 660 3HB ALA 84 3HB ALA 84 -18.953 9.613 1.199 661 H TYR 85 HN TYR 85 -15.776 7.418 1.911 662 HA TYR 85 HA TYR 85 -17.101 7.046 4.465 663 1HB TYR 85 2HB TYR 85 -16.204 5.263 2.778 664 2HB TYR 85 1HB TYR 85 -14.658 5.520 3.587 665 HD1 TYR 85 HD1 TYR 85 -18.253 4.726 4.267 666 HD2 TYR 85 HD2 TYR 85 -14.194 4.459 5.628 667 HE1 TYR 85 HE1 TYR 85 -18.974 3.258 6.132 668 HE2 TYR 85 HE2 TYR 85 -14.909 2.994 7.494 669 HH TYR 85 HH TYR 85 -16.686 1.581 8.141 670 H ALA 86 HN ALA 86 -13.708 7.688 3.517 671 HA ALA 86 HA ALA 86 -12.591 7.834 6.102 672 1HB ALA 86 1HB ALA 86 -11.900 9.461 3.637 673 2HB ALA 86 2HB ALA 86 -11.206 7.905 4.091 674 3HB ALA 86 3HB ALA 86 -10.884 9.333 5.073 675 H LYS 87 HN LYS 87 -14.144 10.415 4.193 676 HA LYS 87 HA LYS 87 -13.763 12.493 6.124 677 1HB LYS 87 2HB LYS 87 -14.817 12.347 3.580 678 2HB LYS 87 1HB LYS 87 -16.253 12.648 4.558 679 1HG LYS 87 2HG LYS 87 -15.674 14.811 4.755 680 2HG LYS 87 1HG LYS 87 -14.162 14.340 5.531 681 1HD LYS 87 2HD LYS 87 -14.319 14.056 2.566 682 2HD LYS 87 1HD LYS 87 -14.198 15.691 3.217 683 1HE LYS 87 2HE LYS 87 -12.342 13.487 4.120 684 2HE LYS 87 1HE LYS 87 -11.985 14.477 2.705 685 1HZ LYS 87 1HE LYS 87 -11.422 16.194 3.979 686 2HZ LYS 87 2HE LYS 87 -11.393 15.107 5.283 687 3HZ LYS 87 3HE LYS 87 -12.784 16.033 4.977 688 H GLN 88 HN GLN 88 -16.101 9.892 5.871 689 HA GLN 88 HA GLN 88 -17.903 11.075 7.856 690 1HB GLN 88 2HB GLN 88 -18.182 9.152 5.886 691 2HB GLN 88 1HB GLN 88 -18.183 8.196 7.368 692 1HG GLN 88 2HG GLN 88 -20.163 9.077 8.093 693 2HG GLN 88 1HG GLN 88 -19.807 10.677 7.442 694 1HE2 GLN 88 1HE2 GLN 88 -19.805 10.708 4.887 695 2HE2 GLN 88 2HE2 GLN 88 -21.044 9.824 4.137 696 H HIS 89 HN HIS 89 -15.307 8.642 7.854 697 HA HIS 89 HA HIS 89 -15.882 7.948 10.660 698 1HB HIS 89 2HB HIS 89 -14.166 6.890 8.487 699 2HB HIS 89 1HB HIS 89 -13.542 6.693 10.125 700 HD1 HIS 89 HD1 HIS 89 -14.521 4.826 11.484 701 HD2 HIS 89 HD2 HIS 89 -16.907 5.771 8.199 702 HE1 HIS 89 HE1 HIS 89 -16.372 3.100 11.423 703 HA PRO 90 HA PRO 90 -12.934 11.125 12.003 704 1HB PRO 90 2HB PRO 90 -13.900 11.117 14.599 705 2HB PRO 90 1HB PRO 90 -14.541 12.116 13.286 706 1HG PRO 90 2HG PRO 90 -15.799 9.901 14.633 707 2HG PRO 90 1HG PRO 90 -16.478 10.980 13.406 708 1HD PRO 90 2HD PRO 90 -15.459 8.258 13.094 709 2HD PRO 90 1HD PRO 90 -16.418 9.231 11.966 710 H ASP 91 HN ASP 91 -12.966 7.902 12.458 711 HA ASP 91 HA ASP 91 -10.574 7.993 14.231 712 1HB ASP 91 2HB ASP 91 -13.009 7.099 15.169 713 2HB ASP 91 1HB ASP 91 -12.249 5.604 14.624 714 H GLN 92 HN GLN 92 -11.604 7.361 11.283 715 HA GLN 92 HA GLN 92 -9.600 5.229 10.834 716 1HB GLN 92 2HB GLN 92 -12.200 4.476 11.020 717 2HB GLN 92 1HB GLN 92 -12.153 4.951 9.323 718 1HG GLN 92 2HG GLN 92 -10.600 3.313 8.764 719 2HG GLN 92 1HG GLN 92 -9.969 3.211 10.406 720 1HE2 GLN 92 1HE2 GLN 92 -12.701 2.240 8.336 721 2HE2 GLN 92 2HE2 GLN 92 -13.270 1.022 9.373 722 H GLU 93 HN GLU 93 -8.247 6.497 9.490 723 HA GLU 93 HA GLU 93 -9.486 8.393 7.635 724 1HB GLU 93 2HB GLU 93 -6.651 7.673 8.382 725 2HB GLU 93 1HB GLU 93 -6.998 8.737 7.020 726 1HG GLU 93 HG2 GLU 93 -8.090 10.336 8.420 727 2HG GLU 93 HG1 GLU 93 -8.128 9.216 9.782 728 H LEU 94 HN LEU 94 -7.669 8.183 5.507 729 HA LEU 94 HA LEU 94 -8.593 5.636 4.257 730 1HB LEU 94 2HB LEU 94 -9.019 8.144 3.345 731 2HB LEU 94 1HB LEU 94 -7.471 7.812 2.572 732 HG LEU 94 HG LEU 94 -8.518 5.574 1.838 733 1HD1 LEU 94 1HD1 LEU 94 -10.824 5.291 1.967 734 2HD1 LEU 94 2HD1 LEU 94 -11.132 7.022 2.102 735 3HD1 LEU 94 3HD1 LEU 94 -10.512 6.126 3.488 736 1HD2 LEU 94 1HD2 LEU 94 -9.779 8.081 0.698 737 2HD2 LEU 94 2HD2 LEU 94 -9.398 6.587 -0.158 738 3HD2 LEU 94 3HD2 LEU 94 -8.098 7.638 0.407 739 H VAL 95 HN VAL 95 -7.035 4.122 4.083 740 HA VAL 95 HA VAL 95 -4.207 5.048 3.743 741 HB VAL 95 HB VAL 95 -5.191 2.493 5.062 742 1HG1 VAL 95 1HG1 VAL 95 -2.701 2.397 5.706 743 2HG1 VAL 95 2HG1 VAL 95 -2.447 3.587 4.429 744 3HG1 VAL 95 3HG1 VAL 95 -3.105 1.999 4.036 745 1HG2 VAL 95 1HG2 VAL 95 -3.920 5.011 6.175 746 2HG2 VAL 95 2HG2 VAL 95 -4.168 3.530 7.100 747 3HG2 VAL 95 3HG2 VAL 95 -5.555 4.433 6.493 748 H ILE 96 HN ILE 96 -3.335 4.473 1.816 749 HA ILE 96 HA ILE 96 -4.888 2.650 0.089 750 HB ILE 96 HB ILE 96 -2.370 4.171 -0.609 751 1HG1 ILE 96 2HG1 ILE 96 -4.046 5.759 0.222 752 2HG1 ILE 96 1HG1 ILE 96 -3.919 5.897 -1.529 753 1HG2 ILE 96 1HG2 ILE 96 -3.884 4.030 -2.857 754 2HG2 ILE 96 2HG2 ILE 96 -4.378 2.538 -2.059 755 3HG2 ILE 96 3HG2 ILE 96 -2.678 2.819 -2.428 756 1HD1 ILE 96 1HD1 ILE 96 -6.205 5.754 -1.374 757 2HD1 ILE 96 2HD1 ILE 96 -6.152 4.841 0.132 758 3HD1 ILE 96 3HD1 ILE 96 -5.846 4.028 -1.402 759 H ALA 97 HN ALA 97 -3.941 0.844 -0.946 760 HA ALA 97 HA ALA 97 -1.399 -0.151 0.247 761 1HB ALA 97 1HB ALA 97 -4.085 -1.452 0.171 762 2HB ALA 97 2HB ALA 97 -2.823 -1.562 1.395 763 3HB ALA 97 3HB ALA 97 -2.677 -2.478 -0.105 764 H GLY 98 HN GLY 98 -2.924 0.855 -2.451 765 1HA GLY 98 2HA GLY 98 -1.952 0.787 -4.627 766 2HA GLY 98 1HA GLY 98 -1.105 -0.692 -4.184 767 H GLY 99 HN GLY 99 -3.504 -2.226 -6.343 768 1HA GLY 99 2HA GLY 99 -0.738 -1.863 -5.622 769 2HA GLY 99 1HA GLY 99 -1.320 -2.394 -7.187 770 H ALA 100 HN ALA 100 0.015 -1.117 -8.442 771 HA ALA 100 HA ALA 100 0.617 1.643 -7.961 772 1HB ALA 100 1HB ALA 100 1.006 -0.300 -10.139 773 2HB ALA 100 2HB ALA 100 2.103 0.937 -9.526 774 3HB ALA 100 3HB ALA 100 0.848 1.369 -10.688 775 H GLN 101 HN GLN 101 -1.978 0.046 -9.740 776 HA GLN 101 HA GLN 101 -3.008 2.295 -11.111 777 1HB GLN 101 2HB GLN 101 -3.728 -0.194 -11.238 778 2HB GLN 101 1HB GLN 101 -4.802 0.200 -9.895 779 1HG GLN 101 2HG GLN 101 -6.221 0.718 -11.632 780 2HG GLN 101 1HG GLN 101 -5.393 2.269 -11.494 781 1HE2 GLN 101 1HE2 GLN 101 -5.905 -0.485 -13.565 782 2HE2 GLN 101 2HE2 GLN 101 -4.891 0.020 -14.829 783 H ILE 102 HN ILE 102 -3.674 1.175 -7.753 784 HA ILE 102 HA ILE 102 -5.602 3.297 -7.318 785 HB ILE 102 HB ILE 102 -4.151 1.799 -5.137 786 1HG1 ILE 102 2HG1 ILE 102 -4.833 0.091 -6.760 787 2HG1 ILE 102 1HG1 ILE 102 -5.893 0.028 -5.357 788 1HG2 ILE 102 1HG2 ILE 102 -6.766 3.224 -5.480 789 2HG2 ILE 102 2HG2 ILE 102 -5.603 3.325 -4.158 790 3HG2 ILE 102 3HG2 ILE 102 -6.651 1.914 -4.305 791 1HD1 ILE 102 1HD1 ILE 102 -7.721 0.654 -6.552 792 2HD1 ILE 102 2HD1 ILE 102 -6.773 0.143 -7.949 793 3HD1 ILE 102 3HD1 ILE 102 -6.821 1.843 -7.490 794 H PHE 103 HN PHE 103 -2.118 3.051 -7.039 795 HA PHE 103 HA PHE 103 -1.851 5.294 -5.212 796 1HB PHE 103 2HB PHE 103 0.075 3.848 -7.043 797 2HB PHE 103 1HB PHE 103 0.562 5.246 -6.087 798 HD1 PHE 103 HD1 PHE 103 1.082 1.981 -6.033 799 HD2 PHE 103 HD2 PHE 103 -0.925 4.883 -3.586 800 HE1 PHE 103 HE1 PHE 103 1.383 0.521 -4.051 801 HE2 PHE 103 HE2 PHE 103 -0.627 3.424 -1.605 802 HZ PHE 103 HZ PHE 103 0.528 1.242 -1.837 803 H THR 104 HN THR 104 -2.331 4.938 -8.628 804 HA THR 104 HA THR 104 -1.293 7.587 -9.305 805 HB THR 104 HB THR 104 -3.145 5.955 -11.035 806 HG1 THR 104 HG1 THR 104 -1.668 4.460 -10.556 807 1HG2 THR 104 1HG2 THR 104 -1.068 8.081 -11.389 808 2HG2 THR 104 2HG2 THR 104 -2.655 7.930 -12.144 809 3HG2 THR 104 3HG2 THR 104 -1.318 6.919 -12.692 810 H ALA 105 HN ALA 105 -4.576 6.123 -9.158 811 HA ALA 105 HA ALA 105 -5.969 8.546 -9.738 812 1HB ALA 105 1HB ALA 105 -7.909 7.403 -8.597 813 2HB ALA 105 2HB ALA 105 -6.806 6.098 -8.161 814 3HB ALA 105 3HB ALA 105 -7.141 6.440 -9.859 815 H PHE 106 HN PHE 106 -4.650 7.287 -6.723 816 HA PHE 106 HA PHE 106 -5.943 9.458 -5.173 817 1HB PHE 106 2HB PHE 106 -4.296 7.037 -4.452 818 2HB PHE 106 1HB PHE 106 -4.623 8.304 -3.271 819 HD1 PHE 106 HD1 PHE 106 -6.832 8.634 -2.356 820 HD2 PHE 106 HD2 PHE 106 -6.147 5.701 -5.414 821 HE1 PHE 106 HE1 PHE 106 -9.057 7.642 -1.905 822 HE2 PHE 106 HE2 PHE 106 -8.372 4.710 -4.965 823 HZ PHE 106 HZ PHE 106 -9.827 5.679 -3.209 824 H LYS 107 HN LYS 107 -3.073 9.011 -6.914 825 HA LYS 107 HA LYS 107 -1.072 10.112 -5.317 826 1HB LYS 107 2HB LYS 107 0.125 10.645 -7.294 827 2HB LYS 107 1HB LYS 107 -0.853 9.240 -7.694 828 1HG LYS 107 2HG LYS 107 -1.703 10.385 -9.427 829 2HG LYS 107 1HG LYS 107 -2.464 11.483 -8.284 830 1HD LYS 107 2HD LYS 107 0.300 12.186 -8.447 831 2HD LYS 107 1HD LYS 107 -0.311 12.021 -10.092 832 1HE LYS 107 2HE LYS 107 -1.555 13.899 -9.923 833 2HE LYS 107 1HE LYS 107 -2.190 13.430 -8.349 834 1HZ LYS 107 1HE LYS 107 -0.217 15.326 -8.921 835 2HZ LYS 107 2HE LYS 107 0.523 14.068 -8.051 836 3HZ LYS 107 3HE LYS 107 -0.826 14.874 -7.405 837 H ASP 108 HN ASP 108 -3.651 11.933 -7.007 838 HA ASP 108 HA ASP 108 -2.539 14.521 -6.485 839 1HB ASP 108 2HB ASP 108 -4.518 13.776 -8.039 840 2HB ASP 108 1HB ASP 108 -5.501 14.039 -6.599 841 H ASP 109 HN ASP 109 -4.714 12.437 -4.604 842 HA ASP 109 HA ASP 109 -4.740 14.477 -2.434 843 1HB ASP 109 2HB ASP 109 -6.483 12.123 -3.124 844 2HB ASP 109 1HB ASP 109 -6.469 12.762 -1.479 845 H VAL 110 HN VAL 110 -2.577 14.045 -1.636 846 HA VAL 110 HA VAL 110 -2.312 11.366 -0.328 847 HB VAL 110 HB VAL 110 -0.035 13.188 -1.140 848 1HG1 VAL 110 1HG1 VAL 110 0.403 10.304 -0.869 849 2HG1 VAL 110 2HG1 VAL 110 -0.157 11.056 0.623 850 3HG1 VAL 110 3HG1 VAL 110 1.303 11.648 -0.169 851 1HG2 VAL 110 1HG2 VAL 110 -1.670 11.388 -2.757 852 2HG2 VAL 110 2HG2 VAL 110 0.024 10.899 -2.747 853 3HG2 VAL 110 3HG2 VAL 110 -0.419 12.524 -3.265 854 H ASP 111 HN ASP 111 -1.754 11.371 1.862 855 HA ASP 111 HA ASP 111 -1.342 14.046 3.130 856 1HB ASP 111 2HB ASP 111 -3.600 12.421 3.422 857 2HB ASP 111 1HB ASP 111 -2.646 12.098 4.869 858 H THR 112 HN THR 112 -0.796 10.549 3.260 859 HA THR 112 HA THR 112 1.717 11.061 4.763 860 HB THR 112 HB THR 112 -0.208 8.868 5.574 861 HG1 THR 112 HG1 THR 112 0.235 11.392 6.784 862 1HG2 THR 112 1HG2 THR 112 2.029 10.088 7.183 863 2HG2 THR 112 2HG2 THR 112 2.333 8.776 6.042 864 3HG2 THR 112 3HG2 THR 112 1.240 8.526 7.403 865 H LEU 113 HN LEU 113 3.347 9.970 3.738 866 HA LEU 113 HA LEU 113 2.571 7.716 1.937 867 1HB LEU 113 2HB LEU 113 5.127 9.347 1.941 868 2HB LEU 113 1HB LEU 113 4.664 8.137 0.749 869 HG LEU 113 HG LEU 113 2.657 10.260 1.189 870 1HD1 LEU 113 1HD1 LEU 113 5.215 11.184 1.167 871 2HD1 LEU 113 2HD1 LEU 113 3.856 12.072 0.479 872 3HD1 LEU 113 3HD1 LEU 113 4.895 11.103 -0.565 873 1HD2 LEU 113 1HD2 LEU 113 2.298 9.960 -1.117 874 2HD2 LEU 113 2HD2 LEU 113 2.809 8.356 -0.596 875 3HD2 LEU 113 3HD2 LEU 113 3.954 9.428 -1.401 876 H LEU 114 HN LEU 114 3.275 5.686 2.414 877 HA LEU 114 HA LEU 114 5.440 5.405 4.455 878 1HB LEU 114 2HB LEU 114 3.019 3.612 4.075 879 2HB LEU 114 1HB LEU 114 4.289 3.397 5.281 880 HG LEU 114 HG LEU 114 2.824 6.012 5.153 881 1HD1 LEU 114 1HD1 LEU 114 1.544 4.517 7.134 882 2HD1 LEU 114 2HD1 LEU 114 1.627 3.421 5.755 883 3HD1 LEU 114 3HD1 LEU 114 0.855 4.997 5.583 884 1HD2 LEU 114 1HD2 LEU 114 3.214 5.437 7.759 885 2HD2 LEU 114 2HD2 LEU 114 4.454 6.196 6.763 886 3HD2 LEU 114 3HD2 LEU 114 4.504 4.458 7.060 887 H VAL 115 HN VAL 115 7.115 4.915 3.123 888 HA VAL 115 HA VAL 115 6.702 2.669 1.182 889 HB VAL 115 HB VAL 115 7.135 4.827 0.075 890 1HG1 VAL 115 1HG1 VAL 115 9.116 5.041 2.169 891 2HG1 VAL 115 2HG1 VAL 115 8.542 6.279 1.055 892 3HG1 VAL 115 3HG1 VAL 115 9.880 5.229 0.592 893 1HG2 VAL 115 1HG2 VAL 115 9.306 2.722 -0.056 894 2HG2 VAL 115 2HG2 VAL 115 9.231 4.078 -1.182 895 3HG2 VAL 115 3HG2 VAL 115 7.911 2.909 -1.120 896 H THR 116 HN THR 116 8.116 0.976 1.205 897 HA THR 116 HA THR 116 10.234 1.023 3.320 898 HB THR 116 HB THR 116 9.153 -1.467 1.997 899 HG1 THR 116 HG1 THR 116 7.644 -1.570 3.660 900 1HG2 THR 116 1HG2 THR 116 11.250 -1.142 3.648 901 2HG2 THR 116 2HG2 THR 116 10.240 -2.587 3.677 902 3HG2 THR 116 3HG2 THR 116 9.971 -1.300 4.852 903 H ARG 117 HN ARG 117 12.311 1.064 2.570 904 HA ARG 117 HA ARG 117 12.749 0.414 -0.307 905 1HB ARG 117 2HB ARG 117 13.746 2.466 1.476 906 2HB ARG 117 1HB ARG 117 15.088 1.560 0.778 907 1HG ARG 117 2HG ARG 117 13.777 1.850 -1.471 908 2HG ARG 117 1HG ARG 117 12.963 3.164 -0.622 909 1HD ARG 117 2HD ARG 117 15.725 3.448 -0.063 910 2HD ARG 117 1HD ARG 117 15.598 3.142 -1.793 911 HE ARG 117 HE ARG 117 14.504 5.479 -0.357 912 1HH1 ARG 117 1HH2 ARG 117 14.701 3.598 -3.277 913 2HH1 ARG 117 2HH2 ARG 117 14.179 4.902 -4.286 914 1HH2 ARG 117 1HH1 ARG 117 13.815 7.156 -1.685 915 2HH2 ARG 117 2HH1 ARG 117 13.678 6.901 -3.393 916 H LEU 118 HN LEU 118 13.516 -1.603 -0.651 917 HA LEU 118 HA LEU 118 14.927 -3.066 1.471 918 1HB LEU 118 2HB LEU 118 14.216 -3.785 -1.391 919 2HB LEU 118 1HB LEU 118 15.051 -4.877 -0.287 920 HG LEU 118 HG LEU 118 13.091 -4.473 1.329 921 1HD1 LEU 118 1HD1 LEU 118 10.962 -3.958 -0.111 922 2HD1 LEU 118 2HD1 LEU 118 12.110 -3.175 -1.197 923 3HD1 LEU 118 3HD1 LEU 118 11.954 -2.619 0.469 924 1HD2 LEU 118 1HD2 LEU 118 11.926 -5.806 -1.041 925 2HD2 LEU 118 2HD2 LEU 118 12.215 -6.441 0.579 926 3HD2 LEU 118 3HD2 LEU 118 13.532 -6.382 -0.591 927 H ALA 119 HN ALA 119 17.133 -3.818 1.251 928 HA ALA 119 HA ALA 119 18.851 -1.880 -0.123 929 1HB ALA 119 1HB ALA 119 20.183 -2.418 1.607 930 2HB ALA 119 2HB ALA 119 20.409 -4.016 0.898 931 3HB ALA 119 3HB ALA 119 19.110 -3.741 2.059 932 H GLY 120 HN GLY 120 17.734 -5.158 -0.647 933 1HA GLY 120 2HA GLY 120 19.760 -5.857 -2.598 934 2HA GLY 120 1HA GLY 120 18.229 -6.701 -2.356 935 H SER 121 HN SER 121 19.050 -6.356 -4.937 936 HA SER 121 HA SER 121 17.265 -4.165 -5.923 937 1HB SER 121 2HB SER 121 19.692 -3.786 -6.422 938 2HB SER 121 1HB SER 121 19.709 -5.302 -7.318 939 HG SER 121 HG SER 121 19.173 -3.958 -8.881 940 H PHE 122 HN PHE 122 15.436 -5.104 -6.713 941 HA PHE 122 HA PHE 122 15.691 -7.776 -8.021 942 1HB PHE 122 2HB PHE 122 13.190 -6.471 -6.910 943 2HB PHE 122 1HB PHE 122 13.362 -8.139 -7.458 944 HD1 PHE 122 HD1 PHE 122 14.451 -9.811 -6.092 945 HD2 PHE 122 HD2 PHE 122 14.309 -5.706 -4.836 946 HE1 PHE 122 HE1 PHE 122 15.214 -10.477 -3.827 947 HE2 PHE 122 HE2 PHE 122 15.070 -6.371 -2.571 948 HZ PHE 122 HZ PHE 122 15.523 -8.757 -2.067 949 H GLU 123 HN GLU 123 14.236 -8.122 -9.902 950 HA GLU 123 HA GLU 123 13.925 -5.593 -11.470 951 1HB GLU 123 2HB GLU 123 14.834 -8.335 -12.183 952 2HB GLU 123 1HB GLU 123 13.842 -7.499 -13.378 953 1HG GLU 123 HG2 GLU 123 15.898 -5.771 -12.200 954 2HG GLU 123 HG1 GLU 123 16.574 -7.164 -13.044 955 H GLY 124 HN GLY 124 12.050 -5.523 -12.936 956 1HA GLY 124 2HA GLY 124 9.926 -7.440 -12.846 957 2HA GLY 124 1HA GLY 124 9.593 -6.150 -11.688 958 H ASP 125 HN ASP 125 7.740 -5.518 -13.091 959 HA ASP 125 HA ASP 125 8.660 -3.759 -15.296 960 1HB ASP 125 2HB ASP 125 7.545 -6.151 -15.899 961 2HB ASP 125 1HB ASP 125 6.083 -5.181 -15.714 962 H THR 126 HN THR 126 6.745 -4.312 -12.534 963 HA THR 126 HA THR 126 5.056 -1.920 -13.111 964 HB THR 126 HB THR 126 4.602 -3.893 -10.870 965 HG1 THR 126 HG1 THR 126 3.139 -4.898 -12.338 966 1HG2 THR 126 1HG2 THR 126 2.549 -2.873 -10.645 967 2HG2 THR 126 2HG2 THR 126 2.455 -2.448 -12.354 968 3HG2 THR 126 3HG2 THR 126 3.473 -1.505 -11.265 969 H LYS 127 HN LYS 127 5.719 -0.101 -12.125 970 HA LYS 127 HA LYS 127 7.176 -0.340 -9.523 971 1HB LYS 127 2HB LYS 127 7.685 1.470 -11.890 972 2HB LYS 127 1HB LYS 127 8.292 1.855 -10.279 973 1HG LYS 127 2HG LYS 127 9.596 -0.154 -10.193 974 2HG LYS 127 1HG LYS 127 8.812 -0.800 -11.635 975 1HD LYS 127 2HD LYS 127 10.581 0.061 -12.762 976 2HD LYS 127 1HD LYS 127 9.789 1.620 -12.532 977 1HE LYS 127 2HE LYS 127 11.591 0.495 -10.397 978 2HE LYS 127 1HE LYS 127 12.268 1.369 -11.771 979 1HZ LYS 127 1HE LYS 127 10.477 2.348 -9.651 980 2HZ LYS 127 2HE LYS 127 10.483 3.111 -11.169 981 3HZ LYS 127 3HE LYS 127 11.908 3.036 -10.247 982 H MET 128 HN MET 128 6.875 1.538 -8.093 983 HA MET 128 HA MET 128 4.130 2.363 -7.925 984 1HB MET 128 2HB MET 128 6.003 2.233 -6.080 985 2HB MET 128 1HB MET 128 6.336 3.893 -6.575 986 1HG MET 128 2HG MET 128 3.472 3.302 -6.196 987 2HG MET 128 1HG MET 128 4.434 3.171 -4.726 988 1HE MET 128 1HE MET 128 2.200 4.865 -4.902 989 2HE MET 128 2HE MET 128 2.528 6.587 -4.727 990 3HE MET 128 3HE MET 128 3.171 5.451 -3.544 991 H ILE 129 HN ILE 129 3.415 4.676 -7.959 992 HA ILE 129 HA ILE 129 4.214 5.940 -10.446 993 HB ILE 129 HB ILE 129 2.574 7.693 -9.757 994 1HG1 ILE 129 2HG1 ILE 129 1.854 6.056 -7.363 995 2HG1 ILE 129 1HG1 ILE 129 3.235 7.144 -7.225 996 1HG2 ILE 129 1HG2 ILE 129 1.232 5.118 -9.084 997 2HG2 ILE 129 2HG2 ILE 129 2.058 5.214 -10.639 998 3HG2 ILE 129 3HG2 ILE 129 0.769 6.355 -10.253 999 1HD1 ILE 129 1HD1 ILE 129 1.895 9.050 -7.824 1000 2HD1 ILE 129 2HD1 ILE 129 1.012 8.173 -6.574 1001 3HD1 ILE 129 3HD1 ILE 129 0.532 8.022 -8.265 1002 HA PRO 130 HA PRO 130 7.211 8.879 -9.047 1003 1HB PRO 130 2HB PRO 130 6.199 11.177 -10.371 1004 2HB PRO 130 1HB PRO 130 7.405 10.036 -10.979 1005 1HG PRO 130 2HG PRO 130 4.765 10.420 -11.930 1006 2HG PRO 130 1HG PRO 130 5.929 9.193 -12.446 1007 1HD PRO 130 2HD PRO 130 3.585 8.906 -10.721 1008 2HD PRO 130 1HD PRO 130 4.531 7.655 -11.542 1009 H LEU 131 HN LEU 131 6.935 9.297 -6.859 1010 HA LEU 131 HA LEU 131 4.752 11.098 -5.994 1011 1HB LEU 131 2HB LEU 131 6.651 9.229 -4.640 1012 2HB LEU 131 1HB LEU 131 6.033 10.591 -3.704 1013 HG LEU 131 HG LEU 131 4.165 8.846 -5.300 1014 1HD1 LEU 131 1HD1 LEU 131 3.779 7.596 -3.144 1015 2HD1 LEU 131 2HD1 LEU 131 5.226 8.372 -2.500 1016 3HD1 LEU 131 3HD1 LEU 131 5.350 7.284 -3.882 1017 1HD2 LEU 131 1HD2 LEU 131 3.984 10.828 -3.043 1018 2HD2 LEU 131 2HD2 LEU 131 2.730 9.603 -3.235 1019 3HD2 LEU 131 3HD2 LEU 131 3.043 10.754 -4.533 1020 H ASN 132 HN ASN 132 5.230 13.032 -4.746 1021 HA ASN 132 HA ASN 132 7.753 14.314 -5.648 1022 1HB ASN 132 2HB ASN 132 5.058 15.204 -5.353 1023 2HB ASN 132 1HB ASN 132 6.046 16.130 -4.224 1024 1HD2 ASN 132 1HD2 ASN 132 8.168 17.036 -5.256 1025 2HD2 ASN 132 2HD2 ASN 132 8.052 17.603 -6.852 1026 H TRP 133 HN TRP 133 8.782 12.827 -3.922 1027 HA TRP 133 HA TRP 133 8.437 13.114 -1.152 1028 1HB TRP 133 2HB TRP 133 11.126 12.899 -2.536 1029 2HB TRP 133 1HB TRP 133 10.731 12.375 -0.899 1030 HD1 TRP 133 HD1 TRP 133 10.591 11.298 -4.490 1031 HE1 TRP 133 HE1 TRP 133 9.595 8.926 -4.648 1032 HE3 TRP 133 HE3 TRP 133 8.925 10.720 0.301 1033 HZ2 TRP 133 HZ2 TRP 133 8.270 7.034 -2.965 1034 HZ3 TRP 133 HZ3 TRP 133 7.801 8.624 0.997 1035 HH2 TRP 133 HH2 TRP 133 7.472 6.781 -0.629 1036 H ASP 134 HN ASP 134 9.807 15.382 -3.417 1037 HA ASP 134 HA ASP 134 11.275 17.007 -1.564 1038 1HB ASP 134 2HB ASP 134 10.954 17.021 -4.271 1039 2HB ASP 134 1HB ASP 134 9.949 18.397 -3.816 1040 H ASP 135 HN ASP 135 7.860 16.741 -2.277 1041 HA ASP 135 HA ASP 135 7.250 19.249 -0.830 1042 1HB ASP 135 2HB ASP 135 6.054 18.233 -2.973 1043 2HB ASP 135 1HB ASP 135 5.131 17.349 -1.757 1044 H PHE 136 HN PHE 136 7.763 16.003 -0.051 1045 HA PHE 136 HA PHE 136 6.079 16.279 2.412 1046 1HB PHE 136 2HB PHE 136 6.952 13.767 0.954 1047 2HB PHE 136 1HB PHE 136 6.098 13.784 2.496 1048 HD1 PHE 136 HD1 PHE 136 5.847 14.773 -1.078 1049 HD2 PHE 136 HD2 PHE 136 3.742 14.113 2.603 1050 HE1 PHE 136 HE1 PHE 136 3.689 14.942 -2.286 1051 HE2 PHE 136 HE2 PHE 136 1.582 14.281 1.396 1052 HZ PHE 136 HZ PHE 136 1.556 14.695 -1.048 1053 H THR 137 HN THR 137 7.063 15.037 4.321 1054 HA THR 137 HA THR 137 10.038 14.965 4.175 1055 HB THR 137 HB THR 137 8.493 16.295 6.419 1056 HG1 THR 137 HG1 THR 137 9.081 18.193 5.499 1057 1HG2 THR 137 1HG2 THR 137 10.689 15.251 6.997 1058 2HG2 THR 137 2HG2 THR 137 10.693 17.005 7.179 1059 3HG2 THR 137 3HG2 THR 137 11.453 16.262 5.771 1060 H LYS 138 HN LYS 138 10.863 13.184 5.201 1061 HA LYS 138 HA LYS 138 9.068 11.198 6.289 1062 1HB LYS 138 2HB LYS 138 11.208 10.662 5.119 1063 2HB LYS 138 1HB LYS 138 12.092 11.351 6.481 1064 1HG LYS 138 2HG LYS 138 10.081 9.401 7.327 1065 2HG LYS 138 1HG LYS 138 11.287 8.702 6.248 1066 1HD LYS 138 2HD LYS 138 11.960 10.361 8.692 1067 2HD LYS 138 1HD LYS 138 11.932 8.599 8.671 1068 1HE LYS 138 2HE LYS 138 13.822 8.441 7.357 1069 2HE LYS 138 1HE LYS 138 13.526 9.986 6.561 1070 1HZ LYS 138 1HE LYS 138 15.160 10.661 7.929 1071 2HZ LYS 138 2HE LYS 138 14.902 9.415 9.054 1072 3HZ LYS 138 3HE LYS 138 13.906 10.791 9.063 1073 H VAL 139 HN VAL 139 8.265 11.177 8.326 1074 HA VAL 139 HA VAL 139 9.517 12.916 10.374 1075 HB VAL 139 HB VAL 139 7.427 12.418 11.666 1076 1HG1 VAL 139 1HG1 VAL 139 7.638 14.365 10.103 1077 2HG1 VAL 139 2HG1 VAL 139 5.982 13.779 10.257 1078 3HG1 VAL 139 3HG1 VAL 139 6.932 13.370 8.829 1079 1HG2 VAL 139 1HG2 VAL 139 5.918 10.859 10.977 1080 2HG2 VAL 139 2HG2 VAL 139 7.250 10.226 10.011 1081 3HG2 VAL 139 3HG2 VAL 139 6.076 11.321 9.283 1082 H SER 140 HN SER 140 9.117 9.527 9.616 1083 HA SER 140 HA SER 140 10.803 8.877 11.954 1084 1HB SER 140 2HB SER 140 8.750 8.501 13.026 1085 2HB SER 140 1HB SER 140 7.992 7.877 11.566 1086 HG SER 140 HG SER 140 8.497 6.032 12.480 1087 H SER 141 HN SER 141 12.020 7.027 11.649 1088 HA SER 141 HA SER 141 11.487 5.287 9.332 1089 1HB SER 141 2HB SER 141 13.419 7.445 9.242 1090 2HB SER 141 1HB SER 141 14.222 5.889 9.052 1091 HG SER 141 HG SER 141 12.068 6.962 7.549 1092 H ARG 142 HN ARG 142 12.242 3.217 9.718 1093 HA ARG 142 HA ARG 142 14.146 2.851 11.993 1094 1HB ARG 142 2HB ARG 142 11.664 2.278 12.466 1095 2HB ARG 142 1HB ARG 142 11.901 0.928 11.356 1096 1HG ARG 142 2HG ARG 142 13.458 -0.121 12.755 1097 2HG ARG 142 1HG ARG 142 13.843 1.374 13.609 1098 1HD ARG 142 2HD ARG 142 11.379 1.321 14.400 1099 2HD ARG 142 1HD ARG 142 11.392 -0.364 13.885 1100 HE ARG 142 HE ARG 142 12.762 0.732 16.222 1101 1HH1 ARG 142 1HH2 ARG 142 12.658 -1.796 13.841 1102 2HH1 ARG 142 2HH2 ARG 142 13.483 -2.935 14.847 1103 1HH2 ARG 142 1HH1 ARG 142 13.838 -0.757 17.515 1104 2HH2 ARG 142 2HH1 ARG 142 14.149 -2.352 16.914 1105 H THR 143 HN THR 143 15.924 1.646 11.344 1106 HA THR 143 HA THR 143 15.713 0.243 8.723 1107 HB THR 143 HB THR 143 18.263 0.853 10.224 1108 HG1 THR 143 HG1 THR 143 17.945 2.862 9.787 1109 1HG2 THR 143 1HG2 THR 143 18.817 1.047 7.587 1110 2HG2 THR 143 2HG2 THR 143 17.477 -0.097 7.522 1111 3HG2 THR 143 3HG2 THR 143 18.912 -0.473 8.476 1112 H VAL 144 HN VAL 144 15.783 -1.955 8.689 1113 HA VAL 144 HA VAL 144 16.796 -3.343 11.134 1114 HB VAL 144 HB VAL 144 14.337 -3.417 11.075 1115 1HG1 VAL 144 1HG1 VAL 144 13.136 -3.844 9.195 1116 2HG1 VAL 144 2HG1 VAL 144 14.218 -5.139 8.685 1117 3HG1 VAL 144 3HG1 VAL 144 14.632 -3.458 8.346 1118 1HG2 VAL 144 1HG2 VAL 144 14.086 -5.924 11.023 1119 2HG2 VAL 144 2HG2 VAL 144 15.449 -5.368 11.994 1120 3HG2 VAL 144 3HG2 VAL 144 15.726 -6.024 10.381 1121 H GLU 145 HN GLU 145 18.360 -4.803 10.704 1122 HA GLU 145 HA GLU 145 19.021 -5.429 7.902 1123 1HB GLU 145 2HB GLU 145 20.386 -6.114 10.524 1124 2HB GLU 145 1HB GLU 145 21.014 -6.548 8.934 1125 1HG GLU 145 HG2 GLU 145 22.091 -4.547 9.068 1126 2HG GLU 145 HG1 GLU 145 20.530 -3.881 8.589 1127 H ASP 146 HN ASP 146 19.474 -7.741 7.317 1128 HA ASP 146 HA ASP 146 17.888 -9.696 8.903 1129 1HB ASP 146 2HB ASP 146 16.778 -8.546 6.703 1130 2HB ASP 146 1HB ASP 146 17.609 -9.912 5.958 1131 H THR 147 HN THR 147 18.469 -11.934 8.403 1132 HA THR 147 HA THR 147 21.260 -12.379 8.106 1133 HB THR 147 HB THR 147 20.496 -14.796 7.603 1134 HG1 THR 147 HG1 THR 147 18.485 -14.878 7.040 1135 1HG2 THR 147 1HG2 THR 147 19.105 -14.116 10.078 1136 2HG2 THR 147 2HG2 THR 147 20.672 -13.317 9.953 1137 3HG2 THR 147 3HG2 THR 147 20.566 -15.074 9.842 1138 H ASN 148 HN ASN 148 18.826 -11.824 5.747 1139 HA ASN 148 HA ASN 148 20.570 -12.873 3.569 1140 1HB ASN 148 2HB ASN 148 17.866 -13.116 3.888 1141 2HB ASN 148 1HB ASN 148 17.962 -11.697 2.846 1142 1HD2 ASN 148 1HD2 ASN 148 19.221 -11.960 0.776 1143 2HD2 ASN 148 2HD2 ASN 148 19.330 -13.499 0.069 1144 HA PRO 149 HA PRO 149 22.290 -8.776 3.047 1145 1HB PRO 149 2HB PRO 149 22.792 -9.474 0.273 1146 2HB PRO 149 1HB PRO 149 23.952 -9.236 1.586 1147 1HG PRO 149 2HG PRO 149 23.064 -11.699 0.425 1148 2HG PRO 149 1HG PRO 149 24.261 -11.454 1.704 1149 1HD PRO 149 2HD PRO 149 21.718 -12.610 2.004 1150 2HD PRO 149 1HD PRO 149 22.795 -12.087 3.307 1151 H ALA 150 HN ALA 150 20.216 -10.187 0.499 1152 HA ALA 150 HA ALA 150 19.449 -7.544 -0.481 1153 1HB ALA 150 1HB ALA 150 18.543 -10.352 -1.130 1154 2HB ALA 150 2HB ALA 150 19.515 -9.267 -2.123 1155 3HB ALA 150 3HB ALA 150 17.804 -8.929 -1.864 1156 H LEU 151 HN LEU 151 18.035 -9.957 1.702 1157 HA LEU 151 HA LEU 151 15.407 -8.777 1.723 1158 1HB LEU 151 2HB LEU 151 16.791 -10.543 3.756 1159 2HB LEU 151 1HB LEU 151 15.081 -10.117 3.799 1160 HG LEU 151 HG LEU 151 16.484 -11.586 1.545 1161 1HD1 LEU 151 1HD1 LEU 151 15.764 -12.648 3.912 1162 2HD1 LEU 151 2HD1 LEU 151 15.626 -13.538 2.396 1163 3HD1 LEU 151 3HD1 LEU 151 14.211 -12.739 3.081 1164 1HD2 LEU 151 1HD2 LEU 151 13.803 -10.314 1.830 1165 2HD2 LEU 151 2HD2 LEU 151 13.852 -11.898 1.056 1166 3HD2 LEU 151 3HD2 LEU 151 14.781 -10.558 0.384 1167 H THR 152 HN THR 152 18.253 -7.429 2.803 1168 HA THR 152 HA THR 152 17.399 -6.318 5.334 1169 HB THR 152 HB THR 152 19.386 -5.157 3.351 1170 HG1 THR 152 HG1 THR 152 19.833 -6.914 5.526 1171 1HG2 THR 152 1HG2 THR 152 19.697 -3.555 4.894 1172 2HG2 THR 152 2HG2 THR 152 20.063 -4.781 6.106 1173 3HG2 THR 152 3HG2 THR 152 18.400 -4.248 5.866 1174 H HIS 153 HN HIS 153 16.422 -4.211 5.686 1175 HA HIS 153 HA HIS 153 15.791 -2.518 3.403 1176 1HB HIS 153 2HB HIS 153 13.292 -2.804 3.612 1177 2HB HIS 153 1HB HIS 153 14.136 -4.187 2.919 1178 HD1 HIS 153 HD1 HIS 153 14.836 -6.079 4.840 1179 HD2 HIS 153 HD2 HIS 153 11.669 -3.517 5.726 1180 HE1 HIS 153 HE1 HIS 153 13.529 -7.176 6.712 1181 H THR 154 HN THR 154 14.277 -0.717 4.053 1182 HA THR 154 HA THR 154 14.407 -0.166 6.985 1183 HB THR 154 HB THR 154 14.886 1.947 4.876 1184 HG1 THR 154 HG1 THR 154 16.720 0.993 4.568 1185 1HG2 THR 154 1HG2 THR 154 14.550 3.124 6.804 1186 2HG2 THR 154 2HG2 THR 154 16.238 2.700 7.093 1187 3HG2 THR 154 3HG2 THR 154 14.950 1.750 7.831 1188 H TYR 155 HN TYR 155 12.709 1.271 7.731 1189 HA TYR 155 HA TYR 155 10.367 1.352 5.872 1190 1HB TYR 155 2HB TYR 155 10.456 1.583 8.898 1191 2HB TYR 155 1HB TYR 155 8.996 1.568 7.911 1192 HD1 TYR 155 HD1 TYR 155 8.463 -0.488 6.528 1193 HD2 TYR 155 HD2 TYR 155 11.546 -0.432 9.518 1194 HE1 TYR 155 HE1 TYR 155 8.440 -2.968 6.598 1195 HE2 TYR 155 HE2 TYR 155 11.523 -2.910 9.587 1196 HH TYR 155 HH TYR 155 9.053 -4.766 8.165 1197 H GLU 156 HN GLU 156 9.818 3.360 5.086 1198 HA GLU 156 HA GLU 156 10.793 5.733 6.625 1199 1HB GLU 156 2HB GLU 156 10.361 5.417 3.640 1200 2HB GLU 156 1HB GLU 156 10.833 6.917 4.437 1201 1HG GLU 156 HG2 GLU 156 12.987 6.276 4.375 1202 2HG GLU 156 HG1 GLU 156 12.593 4.860 5.350 1203 H VAL 157 HN VAL 157 9.194 6.963 7.461 1204 HA VAL 157 HA VAL 157 6.465 6.761 6.247 1205 HB VAL 157 HB VAL 157 7.336 7.430 9.078 1206 1HG1 VAL 157 1HG1 VAL 157 5.433 8.683 9.082 1207 2HG1 VAL 157 2HG1 VAL 157 4.618 7.122 9.168 1208 3HG1 VAL 157 3HG1 VAL 157 4.816 7.929 7.612 1209 1HG2 VAL 157 1HG2 VAL 157 6.314 5.024 7.679 1210 2HG2 VAL 157 2HG2 VAL 157 5.564 5.368 9.238 1211 3HG2 VAL 157 3HG2 VAL 157 7.310 5.145 9.129 1212 H TRP 158 HN TRP 158 5.744 8.608 5.257 1213 HA TRP 158 HA TRP 158 7.175 11.151 5.918 1214 1HB TRP 158 2HB TRP 158 5.830 10.304 3.342 1215 2HB TRP 158 1HB TRP 158 6.548 11.886 3.626 1216 HD1 TRP 158 HD1 TRP 158 7.611 8.166 3.725 1217 HE1 TRP 158 HE1 TRP 158 10.074 8.021 2.975 1218 HE3 TRP 158 HE3 TRP 158 8.641 13.129 3.116 1219 HZ2 TRP 158 HZ2 TRP 158 12.200 9.779 2.218 1220 HZ3 TRP 158 HZ3 TRP 158 10.889 13.866 2.380 1221 HH2 TRP 158 HH2 TRP 158 12.669 12.199 1.930 1222 H GLN 159 HN GLN 159 5.871 13.120 5.692 1223 HA GLN 159 HA GLN 159 2.938 12.739 6.013 1224 1HB GLN 159 2HB GLN 159 4.842 14.029 7.955 1225 2HB GLN 159 1HB GLN 159 3.200 14.657 7.808 1226 1HG GLN 159 2HG GLN 159 2.407 12.240 8.109 1227 2HG GLN 159 1HG GLN 159 4.059 11.870 8.605 1228 1HE2 GLN 159 1HE2 GLN 159 4.123 11.799 10.855 1229 2HE2 GLN 159 2HE2 GLN 159 3.351 12.904 11.887 1230 H LYS 160 HN LYS 160 1.752 14.523 5.084 1231 HA LYS 160 HA LYS 160 3.246 16.133 3.205 1232 1HB LYS 160 2HB LYS 160 0.853 15.276 2.944 1233 2HB LYS 160 1HB LYS 160 0.377 16.548 4.069 1234 1HG LYS 160 2HG LYS 160 2.124 17.413 1.836 1235 2HG LYS 160 1HG LYS 160 0.499 16.903 1.377 1236 1HD LYS 160 2HD LYS 160 0.913 18.794 3.685 1237 2HD LYS 160 1HD LYS 160 0.868 19.396 2.027 1238 1HE LYS 160 2HE LYS 160 -1.297 17.508 2.751 1239 2HE LYS 160 1HE LYS 160 -1.353 19.072 3.563 1240 1HZ LYS 160 1HE LYS 160 -1.339 18.537 0.650 1241 2HZ LYS 160 2HE LYS 160 -1.042 20.078 1.300 1242 3HZ LYS 160 3HE LYS 160 -2.538 19.317 1.561 1243 H LYS 161 HN LYS 161 4.238 18.027 3.653 1244 HA LYS 161 HA LYS 161 3.746 19.357 6.234 1245 1HB LYS 161 2HB LYS 161 5.693 19.877 3.971 1246 2HB LYS 161 1HB LYS 161 5.593 20.890 5.411 1247 1HG LYS 161 2HG LYS 161 5.696 18.126 6.212 1248 2HG LYS 161 1HG LYS 161 7.027 18.458 5.103 1249 1HD LYS 161 2HD LYS 161 7.918 20.148 6.480 1250 2HD LYS 161 1HD LYS 161 6.408 20.345 7.370 1251 1HE LYS 161 2HE LYS 161 6.726 17.970 8.214 1252 2HE LYS 161 1HE LYS 161 8.348 18.026 7.524 1253 1HZ LYS 161 1HE LYS 161 7.457 20.191 9.301 1254 2HZ LYS 161 2HE LYS 161 9.028 19.616 9.007 1255 3HZ LYS 161 3HE LYS 161 7.959 18.719 9.977 1256 H ALA 162 HN ALA 162 3.500 21.806 6.193 1257 HA ALA 162 HA ALA 162 1.754 22.641 3.909 1258 1HB ALA 162 1HB ALA 162 1.406 23.438 6.814 1259 2HB ALA 162 2HB ALA 162 0.478 22.166 6.021 1260 3HB ALA 162 3HB ALA 162 0.332 23.836 5.472 1261 AH51 NDP 168 AH51 NDP 168 -5.711 -2.641 -10.447 1262 AH52 NDP 168 AH52 NDP 168 -5.789 -3.820 -9.138 1263 AH4* NDP 168 AH4* NDP 168 -7.829 -4.808 -10.307 1264 AH3* NDP 168 AH3* NDP 168 -7.577 -2.314 -11.996 1265 AHO3 NDP 168 AHO3 NDP 168 -7.014 -4.364 -12.928 1266 AH2* NDP 168 AH2* NDP 168 -9.982 -2.247 -12.020 1267 AH1* NDP 168 AH1* NDP 168 -10.269 -2.704 -9.312 1268 AH8 NDP 168 AH8 NDP 168 -7.157 -0.676 -9.962 1269 AH61 NDP 168 AH61 NDP 168 -9.197 3.742 -9.710 1270 AH62 NDP 168 AH62 NDP 168 -10.848 4.293 -9.541 1271 AH2 NDP 168 AH2 NDP 168 -13.451 0.636 -9.591 1272 NH51 NDP 168 NH51 NDP 168 -1.028 -4.855 -10.368 1273 NH52 NDP 168 NH52 NDP 168 -1.943 -6.070 -9.486 1274 NH4* NDP 168 NH4* NDP 168 0.605 -6.399 -9.559 1275 NH3* NDP 168 NH3* NDP 168 -0.790 -6.349 -6.865 1276 NHO3 NDP 168 NHO3 NDP 168 -1.371 -8.111 -8.121 1277 NH2* NDP 168 NH2* NDP 168 1.346 -6.931 -5.952 1278 NHO2 NDP 168 NHO2 NDP 168 3.004 -7.063 -7.997 1279 NH1* NDP 168 NH1* NDP 168 2.770 -5.092 -7.462 1280 NH2 NDP 168 NH2 NDP 168 3.317 -3.705 -5.569 1281 NH71 NDP 168 NH71 NDP 168 4.703 -3.025 -4.828 1282 NH72 NDP 168 NH72 NDP 168 5.189 -2.419 -3.266 1283 NH41 NDP 168 NH41 NDP 168 0.219 -2.067 -3.685 1284 NH42 NDP 168 NH42 NDP 168 0.497 -3.577 -2.753 1285 NH5 NDP 168 NH5 NDP 168 -1.477 -3.797 -4.245 1286 NH6 NDP 168 NH6 NDP 168 -0.784 -4.976 -6.366 1287 H1 TRR 170 H1 TRR 170 4.831 -5.067 1.563 1288 1H2 TRR 170 1H2 TRR 170 4.894 -1.883 3.159 1289 2H2 TRR 170 2H2 TRR 170 5.769 -3.325 2.904 1290 1H4 TRR 170 1H4 TRR 170 0.576 -1.331 1.212 1291 2H4 TRR 170 2H4 TRR 170 -0.100 -2.557 0.262 1292 H6 TRR 170 H6 TRR 170 3.080 -6.018 0.198 1293 1H7 TRR 170 1H7 TRR 170 0.765 -4.309 -1.387 1294 2H7 TRR 170 2H7 TRR 170 -0.217 -4.517 0.063 1295 H12 TRR 170 H12 TRR 170 1.509 -6.161 -2.605 1296 H16 TRR 170 H16 TRR 170 0.021 -6.681 1.407 1297 1H17 TRR 170 1H17 TRR 170 2.345 -8.478 -5.081 1298 2H17 TRR 170 2H17 TRR 170 2.910 -7.304 -3.900 1299 3H17 TRR 170 3H17 TRR 170 1.252 -7.242 -4.473 1300 1H18 TRR 170 1H18 TRR 170 -0.309 -11.931 -1.860 1301 2H18 TRR 170 2H18 TRR 170 0.752 -11.139 -3.016 1302 3H18 TRR 170 3H18 TRR 170 -0.689 -10.315 -2.437 1303 1H19 TRR 170 1H19 TRR 170 -1.237 -9.436 2.979 1304 2H19 TRR 170 2H19 TRR 170 -0.781 -7.825 2.458 1305 3H19 TRR 170 3H19 TRR 170 0.385 -8.838 3.290 Start of MODEL 24 1 1H THR 1 1H THR 1 -5.525 11.362 2.861 2 2H THR 1 2H THR 1 -4.919 10.660 4.285 3 3H THR 1 3H THR 1 -6.537 10.408 3.833 4 HA THR 1 HA THR 1 -5.686 8.456 3.100 5 HB THR 1 HB THR 1 -4.826 10.196 0.784 6 HG1 THR 1 HG1 THR 1 -7.055 10.079 0.197 7 1HG2 THR 1 1HG2 THR 1 -6.129 7.464 0.953 8 2HG2 THR 1 2HG2 THR 1 -4.424 7.762 0.616 9 3HG2 THR 1 3HG2 THR 1 -5.655 8.291 -0.530 10 H ALA 2 HN ALA 2 -3.876 7.146 3.138 11 HA ALA 2 HA ALA 2 -1.224 8.520 2.988 12 1HB ALA 2 1HB ALA 2 -2.062 6.289 4.867 13 2HB ALA 2 2HB ALA 2 -1.714 7.958 5.322 14 3HB ALA 2 3HB ALA 2 -0.421 6.920 4.720 15 H PHE 3 HN PHE 3 0.502 7.222 2.134 16 HA PHE 3 HA PHE 3 -0.456 4.985 0.399 17 1HB PHE 3 2HB PHE 3 1.791 6.969 0.221 18 2HB PHE 3 1HB PHE 3 1.958 5.416 -0.586 19 HD1 PHE 3 HD1 PHE 3 -1.434 6.729 -0.264 20 HD2 PHE 3 HD2 PHE 3 2.080 6.693 -2.727 21 HE1 PHE 3 HE1 PHE 3 -2.761 7.578 -2.178 22 HE2 PHE 3 HE2 PHE 3 0.751 7.535 -4.640 23 HZ PHE 3 HZ PHE 3 -1.670 7.978 -4.364 24 H LEU 4 HN LEU 4 0.315 2.908 0.828 25 HA LEU 4 HA LEU 4 2.675 2.695 2.648 26 1HB LEU 4 2HB LEU 4 0.641 2.317 3.967 27 2HB LEU 4 1HB LEU 4 0.076 1.133 2.793 28 HG LEU 4 HG LEU 4 1.906 -0.364 3.327 29 1HD1 LEU 4 1HD1 LEU 4 2.858 1.858 5.167 30 2HD1 LEU 4 2HD1 LEU 4 3.662 1.322 3.692 31 3HD1 LEU 4 3HD1 LEU 4 3.560 0.243 5.083 32 1HD2 LEU 4 1HD2 LEU 4 0.853 -1.104 5.196 33 2HD2 LEU 4 2HD2 LEU 4 -0.135 0.351 5.089 34 3HD2 LEU 4 3HD2 LEU 4 1.304 0.334 6.104 35 H TRP 5 HN TRP 5 4.033 2.115 0.858 36 HA TRP 5 HA TRP 5 3.461 -0.603 -0.219 37 1HB TRP 5 2HB TRP 5 3.867 0.024 -2.461 38 2HB TRP 5 1HB TRP 5 2.835 1.305 -1.835 39 HD1 TRP 5 HD1 TRP 5 6.230 0.658 -3.280 40 HE1 TRP 5 HE1 TRP 5 7.547 2.869 -3.447 41 HE3 TRP 5 HE3 TRP 5 3.178 3.713 -0.549 42 HZ2 TRP 5 HZ2 TRP 5 7.333 5.579 -2.540 43 HZ3 TRP 5 HZ3 TRP 5 3.761 6.099 -0.218 44 HH2 TRP 5 HH2 TRP 5 5.831 7.034 -1.209 45 H ALA 6 HN ALA 6 5.263 -1.917 -0.362 46 HA ALA 6 HA ALA 6 7.828 -0.748 0.582 47 1HB ALA 6 1HB ALA 6 6.579 -3.455 0.622 48 2HB ALA 6 2HB ALA 6 7.542 -2.646 1.859 49 3HB ALA 6 3HB ALA 6 8.335 -3.390 0.470 50 H GLN 7 HN GLN 7 9.386 -0.329 -0.930 51 HA GLN 7 HA GLN 7 9.239 -1.844 -3.507 52 1HB GLN 7 2HB GLN 7 10.005 0.183 -4.666 53 2HB GLN 7 1HB GLN 7 8.506 0.502 -3.794 54 1HG GLN 7 2HG GLN 7 9.719 1.559 -1.977 55 2HG GLN 7 1HG GLN 7 11.266 1.107 -2.695 56 1HE2 GLN 7 1HE2 GLN 7 12.217 2.788 -3.842 57 2HE2 GLN 7 2HE2 GLN 7 11.376 4.031 -4.635 58 H ASP 8 HN ASP 8 11.338 -2.025 -4.638 59 HA ASP 8 HA ASP 8 13.488 -2.575 -2.710 60 1HB ASP 8 2HB ASP 8 14.663 -3.530 -4.680 61 2HB ASP 8 1HB ASP 8 13.045 -4.201 -4.486 62 H ARG 9 HN ARG 9 15.782 -2.033 -4.112 63 HA ARG 9 HA ARG 9 16.223 0.721 -3.595 64 1HB ARG 9 2HB ARG 9 18.343 0.418 -4.881 65 2HB ARG 9 1HB ARG 9 18.080 -0.851 -3.686 66 1HG ARG 9 2HG ARG 9 18.578 -2.194 -5.479 67 2HG ARG 9 1HG ARG 9 16.854 -1.999 -5.788 68 1HD ARG 9 2HD ARG 9 17.285 -0.959 -7.734 69 2HD ARG 9 1HD ARG 9 18.270 0.244 -6.908 70 HE ARG 9 HE ARG 9 19.274 -2.267 -8.141 71 1HH1 ARG 9 1HH1 ARG 9 19.857 0.722 -6.456 72 2HH1 ARG 9 2HH1 ARG 9 21.551 0.710 -6.799 73 1HH2 ARG 9 1HH2 ARG 9 21.471 -2.261 -8.570 74 2HH2 ARG 9 2HH2 ARG 9 22.461 -0.966 -7.984 75 H ASP 10 HN ASP 10 15.502 -0.930 -6.683 76 HA ASP 10 HA ASP 10 15.705 1.498 -8.248 77 1HB ASP 10 2HB ASP 10 14.916 -1.316 -8.704 78 2HB ASP 10 1HB ASP 10 14.130 -0.140 -9.758 79 H GLY 11 HN GLY 11 13.129 -0.079 -6.468 80 1HA GLY 11 2HA GLY 11 11.263 1.316 -5.668 81 2HA GLY 11 1HA GLY 11 11.369 2.230 -7.171 82 H LEU 12 HN LEU 12 11.390 -1.310 -6.816 83 HA LEU 12 HA LEU 12 9.152 -1.478 -8.742 84 1HB LEU 12 2HB LEU 12 11.236 -3.001 -8.745 85 2HB LEU 12 1HB LEU 12 10.518 -3.785 -7.338 86 HG LEU 12 HG LEU 12 8.382 -3.900 -8.885 87 1HD1 LEU 12 1HD1 LEU 12 9.943 -2.580 -10.619 88 2HD1 LEU 12 2HD1 LEU 12 8.714 -3.728 -11.151 89 3HD1 LEU 12 3HD1 LEU 12 10.402 -4.227 -11.048 90 1HD2 LEU 12 1HD2 LEU 12 8.878 -6.127 -9.118 91 2HD2 LEU 12 2HD2 LEU 12 10.203 -5.703 -8.032 92 3HD2 LEU 12 3HD2 LEU 12 10.484 -5.806 -9.770 93 H ILE 13 HN ILE 13 7.181 -2.806 -8.138 94 HA ILE 13 HA ILE 13 6.765 -2.859 -5.186 95 HB ILE 13 HB ILE 13 4.345 -2.231 -5.708 96 1HG1 ILE 13 2HG1 ILE 13 5.204 -0.784 -8.122 97 2HG1 ILE 13 1HG1 ILE 13 5.175 -2.535 -8.327 98 1HG2 ILE 13 1HG2 ILE 13 6.467 -0.735 -4.989 99 2HG2 ILE 13 2HG2 ILE 13 4.854 -0.058 -5.212 100 3HG2 ILE 13 3HG2 ILE 13 6.049 0.069 -6.503 101 1HD1 ILE 13 1HD1 ILE 13 2.825 -1.815 -6.883 102 2HD1 ILE 13 2HD1 ILE 13 2.936 -2.464 -8.519 103 3HD1 ILE 13 3HD1 ILE 13 2.956 -0.720 -8.259 104 H GLY 14 HN GLY 14 6.665 -4.599 -8.114 105 1HA GLY 14 2HA GLY 14 6.196 -7.082 -7.205 106 2HA GLY 14 1HA GLY 14 4.556 -6.446 -7.157 107 H LYS 15 HN LYS 15 5.860 -8.575 -8.847 108 HA LYS 15 HA LYS 15 5.064 -7.447 -11.499 109 1HB LYS 15 2HB LYS 15 7.563 -7.960 -11.173 110 2HB LYS 15 1HB LYS 15 7.092 -9.659 -11.128 111 1HG LYS 15 2HG LYS 15 5.959 -8.081 -13.368 112 2HG LYS 15 1HG LYS 15 7.703 -8.341 -13.424 113 1HD LYS 15 2HD LYS 15 5.872 -10.648 -12.825 114 2HD LYS 15 1HD LYS 15 6.109 -10.127 -14.493 115 1HE LYS 15 2HE LYS 15 7.883 -11.570 -14.386 116 2HE LYS 15 1HE LYS 15 8.684 -10.175 -13.663 117 1HZ LYS 15 1HE LYS 15 7.145 -11.987 -11.941 118 2HZ LYS 15 2HE LYS 15 8.500 -11.033 -11.568 119 3HZ LYS 15 3HE LYS 15 8.687 -12.467 -12.460 120 H ASP 16 HN ASP 16 3.488 -8.594 -12.530 121 HA ASP 16 HA ASP 16 1.867 -10.227 -12.902 122 1HB ASP 16 2HB ASP 16 4.342 -11.760 -12.211 123 2HB ASP 16 1HB ASP 16 2.821 -12.636 -12.367 124 H GLY 17 HN GLY 17 1.389 -8.964 -10.409 125 1HA GLY 17 2HA GLY 17 -0.054 -9.408 -8.633 126 2HA GLY 17 1HA GLY 17 -0.027 -11.108 -9.075 127 H HIS 18 HN HIS 18 1.927 -12.343 -8.400 128 HA HIS 18 HA HIS 18 2.437 -12.033 -5.623 129 1HB HIS 18 2HB HIS 18 4.198 -13.766 -5.995 130 2HB HIS 18 1HB HIS 18 2.648 -14.189 -6.723 131 HD1 HIS 18 HD1 HIS 18 6.121 -13.036 -7.612 132 HD2 HIS 18 HD2 HIS 18 2.636 -14.231 -9.562 133 HE1 HIS 18 HE1 HIS 18 6.730 -13.331 -10.052 134 H LEU 19 HN LEU 19 3.916 -10.852 -4.508 135 HA LEU 19 HA LEU 19 5.496 -8.814 -5.658 136 1HB LEU 19 2HB LEU 19 5.533 -10.253 -3.029 137 2HB LEU 19 1HB LEU 19 6.905 -9.223 -3.433 138 HG LEU 19 HG LEU 19 4.248 -8.031 -3.960 139 1HD1 LEU 19 1HD1 LEU 19 5.170 -8.064 -1.104 140 2HD1 LEU 19 2HD1 LEU 19 4.190 -9.402 -1.708 141 3HD1 LEU 19 3HD1 LEU 19 3.559 -7.755 -1.754 142 1HD2 LEU 19 1HD2 LEU 19 6.875 -7.169 -3.742 143 2HD2 LEU 19 2HD2 LEU 19 6.157 -6.643 -2.220 144 3HD2 LEU 19 3HD2 LEU 19 5.454 -6.126 -3.753 145 HA PRO 20 HA PRO 20 9.090 -10.934 -7.183 146 1HB PRO 20 2HB PRO 20 10.909 -8.826 -6.790 147 2HB PRO 20 1HB PRO 20 9.861 -9.059 -8.198 148 1HG PRO 20 2HG PRO 20 9.712 -6.977 -6.291 149 2HG PRO 20 1HG PRO 20 8.557 -7.326 -7.583 150 1HD PRO 20 2HD PRO 20 8.397 -7.977 -4.694 151 2HD PRO 20 1HD PRO 20 7.093 -7.737 -5.870 152 H TRP 21 HN TRP 21 9.430 -9.394 -4.002 153 HA TRP 21 HA TRP 21 11.633 -11.322 -3.390 154 1HB TRP 21 2HB TRP 21 12.274 -9.645 -1.621 155 2HB TRP 21 1HB TRP 21 12.410 -9.016 -3.265 156 HD1 TRP 21 HD1 TRP 21 9.964 -8.990 -0.287 157 HE1 TRP 21 HE1 TRP 21 8.527 -6.855 -0.430 158 HE3 TRP 21 HE3 TRP 21 11.659 -7.075 -4.712 159 HZ2 TRP 21 HZ2 TRP 21 8.155 -4.627 -2.177 160 HZ3 TRP 21 HZ3 TRP 21 10.743 -4.941 -5.586 161 HH2 TRP 21 HH2 TRP 21 8.997 -3.720 -4.324 162 H HIS 22 HN HIS 22 11.407 -12.583 -1.538 163 HA HIS 22 HA HIS 22 8.727 -12.530 -0.259 164 1HB HIS 22 2HB HIS 22 10.020 -14.654 -1.172 165 2HB HIS 22 1HB HIS 22 10.819 -14.577 0.399 166 HD1 HIS 22 HD1 HIS 22 9.670 -16.319 1.789 167 HD2 HIS 22 HD2 HIS 22 6.945 -13.998 -0.348 168 HE1 HIS 22 HE1 HIS 22 7.365 -17.031 2.558 169 H LEU 23 HN LEU 23 8.860 -10.844 1.244 170 HA LEU 23 HA LEU 23 10.945 -11.165 3.369 171 1HB LEU 23 2HB LEU 23 11.279 -9.125 1.953 172 2HB LEU 23 1HB LEU 23 9.679 -8.568 2.441 173 HG LEU 23 HG LEU 23 10.410 -8.630 4.818 174 1HD1 LEU 23 1HD1 LEU 23 12.991 -8.733 5.078 175 2HD1 LEU 23 2HD1 LEU 23 12.963 -9.558 3.521 176 3HD1 LEU 23 3HD1 LEU 23 12.114 -10.252 4.901 177 1HD2 LEU 23 1HD2 LEU 23 10.768 -6.640 3.122 178 2HD2 LEU 23 2HD2 LEU 23 12.475 -7.024 3.338 179 3HD2 LEU 23 3HD2 LEU 23 11.494 -6.559 4.728 180 HA PRO 24 HA PRO 24 6.949 -11.935 5.471 181 1HB PRO 24 2HB PRO 24 8.433 -13.009 7.664 182 2HB PRO 24 1HB PRO 24 7.471 -13.887 6.469 183 1HG PRO 24 2HG PRO 24 10.306 -13.823 6.735 184 2HG PRO 24 1HG PRO 24 9.342 -14.675 5.522 185 1HD PRO 24 2HD PRO 24 10.955 -12.314 5.183 186 2HD PRO 24 1HD PRO 24 10.060 -13.223 3.957 187 H ASP 25 HN ASP 25 9.936 -10.619 6.893 188 HA ASP 25 HA ASP 25 8.744 -9.419 9.191 189 1HB ASP 25 2HB ASP 25 11.291 -9.643 8.296 190 2HB ASP 25 1HB ASP 25 10.973 -7.960 7.875 191 H ASP 26 HN ASP 26 8.895 -8.413 5.834 192 HA ASP 26 HA ASP 26 8.015 -5.687 6.361 193 1HB ASP 26 2HB ASP 26 9.286 -6.086 4.348 194 2HB ASP 26 1HB ASP 26 8.174 -7.351 3.832 195 H LEU 27 HN LEU 27 6.454 -8.727 5.305 196 HA LEU 27 HA LEU 27 3.865 -7.760 4.790 197 1HB LEU 27 2HB LEU 27 4.789 -10.357 6.047 198 2HB LEU 27 1HB LEU 27 3.107 -10.048 5.617 199 HG LEU 27 HG LEU 27 5.227 -9.565 3.556 200 1HD1 LEU 27 1HD1 LEU 27 5.883 -11.717 3.522 201 2HD1 LEU 27 2HD1 LEU 27 4.219 -12.195 3.190 202 3HD1 LEU 27 3HD1 LEU 27 4.794 -12.100 4.854 203 1HD2 LEU 27 1HD2 LEU 27 3.135 -8.969 2.734 204 2HD2 LEU 27 2HD2 LEU 27 2.299 -10.195 3.688 205 3HD2 LEU 27 3HD2 LEU 27 3.196 -10.663 2.244 206 H HIS 28 HN HIS 28 5.236 -8.825 7.922 207 HA HIS 28 HA HIS 28 2.944 -8.246 9.509 208 1HB HIS 28 2HB HIS 28 5.883 -8.068 10.255 209 2HB HIS 28 1HB HIS 28 4.545 -8.097 11.404 210 HD1 HIS 28 HD1 HIS 28 2.781 -10.293 10.490 211 HD2 HIS 28 HD2 HIS 28 6.929 -10.618 10.227 212 HE1 HIS 28 HE1 HIS 28 3.299 -12.769 10.368 213 H TYR 29 HN TYR 29 5.600 -6.216 8.356 214 HA TYR 29 HA TYR 29 4.910 -3.855 9.849 215 1HB TYR 29 2HB TYR 29 7.088 -4.191 8.660 216 2HB TYR 29 1HB TYR 29 6.236 -4.043 7.124 217 HD1 TYR 29 HD1 TYR 29 6.795 -2.235 10.356 218 HD2 TYR 29 HD2 TYR 29 5.901 -1.929 6.165 219 HE1 TYR 29 HE1 TYR 29 6.958 0.235 10.501 220 HE2 TYR 29 HE2 TYR 29 6.064 0.542 6.311 221 HH TYR 29 HH TYR 29 5.916 2.298 7.954 222 H PHE 30 HN PHE 30 3.876 -5.190 6.756 223 HA PHE 30 HA PHE 30 2.327 -2.918 5.897 224 1HB PHE 30 2HB PHE 30 3.002 -4.643 4.306 225 2HB PHE 30 1HB PHE 30 2.106 -5.866 5.205 226 HD1 PHE 30 HD1 PHE 30 1.370 -2.400 3.956 227 HD2 PHE 30 HD2 PHE 30 0.139 -6.508 4.148 228 HE1 PHE 30 HE1 PHE 30 -0.680 -1.845 2.677 229 HE2 PHE 30 HE2 PHE 30 -1.909 -5.956 2.863 230 HZ PHE 30 HZ PHE 30 -2.318 -3.623 2.128 231 H ARG 31 HN ARG 31 1.422 -5.959 7.547 232 HA ARG 31 HA ARG 31 -1.356 -5.331 7.819 233 1HB ARG 31 2HB ARG 31 0.209 -7.513 8.375 234 2HB ARG 31 1HB ARG 31 -0.131 -6.911 9.997 235 1HG ARG 31 2HG ARG 31 -2.526 -6.972 9.572 236 2HG ARG 31 1HG ARG 31 -2.249 -7.427 7.890 237 1HD ARG 31 2HD ARG 31 -2.817 -9.405 9.260 238 2HD ARG 31 1HD ARG 31 -1.176 -9.522 8.624 239 HE ARG 31 HE ARG 31 -1.023 -8.298 11.179 240 1HH1 ARG 31 1HH2 ARG 31 -1.906 -11.314 9.706 241 2HH1 ARG 31 2HH2 ARG 31 -1.470 -12.254 11.093 242 1HH2 ARG 31 1HH1 ARG 31 -0.460 -9.530 12.977 243 2HH2 ARG 31 2HH1 ARG 31 -0.656 -11.250 12.935 244 H ALA 32 HN ALA 32 1.172 -5.260 10.341 245 HA ALA 32 HA ALA 32 -0.228 -3.949 12.356 246 1HB ALA 32 1HB ALA 32 2.673 -3.870 11.558 247 2HB ALA 32 2HB ALA 32 1.925 -4.686 12.932 248 3HB ALA 32 3HB ALA 32 2.093 -2.930 12.933 249 H GLN 33 HN GLN 33 1.378 -2.445 9.560 250 HA GLN 33 HA GLN 33 0.920 0.260 10.474 251 1HB GLN 33 2HB GLN 33 1.717 -0.983 7.855 252 2HB GLN 33 1HB GLN 33 1.327 0.735 7.945 253 1HG GLN 33 2HG GLN 33 3.256 -0.498 9.902 254 2HG GLN 33 1HG GLN 33 3.802 0.019 8.306 255 1HE2 GLN 33 1HE2 GLN 33 2.414 2.366 7.861 256 2HE2 GLN 33 2HE2 GLN 33 2.768 3.508 9.065 257 H THR 34 HN THR 34 -1.146 -2.066 8.984 258 HA THR 34 HA THR 34 -3.075 0.133 8.319 259 HB THR 34 HB THR 34 -4.058 -1.428 6.657 260 HG1 THR 34 HG1 THR 34 -1.790 -3.029 7.208 261 1HG2 THR 34 1HG2 THR 34 -1.442 -0.192 6.560 262 2HG2 THR 34 2HG2 THR 34 -2.661 -0.318 5.291 263 3HG2 THR 34 3HG2 THR 34 -1.491 -1.617 5.521 264 H VAL 35 HN VAL 35 -2.805 -1.230 10.949 265 HA VAL 35 HA VAL 35 -5.179 -2.976 11.056 266 HB VAL 35 HB VAL 35 -4.655 -3.101 13.500 267 1HG1 VAL 35 1HG1 VAL 35 -2.083 -3.876 12.796 268 2HG1 VAL 35 2HG1 VAL 35 -2.967 -3.965 11.273 269 3HG1 VAL 35 3HG1 VAL 35 -3.529 -4.875 12.674 270 1HG2 VAL 35 1HG2 VAL 35 -3.108 -1.761 14.494 271 2HG2 VAL 35 2HG2 VAL 35 -3.351 -0.718 13.094 272 3HG2 VAL 35 3HG2 VAL 35 -2.008 -1.857 13.122 273 H GLY 36 HN GLY 36 -7.177 -2.303 11.611 274 1HA GLY 36 2HA GLY 36 -8.897 -0.961 12.483 275 2HA GLY 36 1HA GLY 36 -7.671 -0.060 13.367 276 H LYS 37 HN LYS 37 -6.998 -0.195 10.005 277 HA LYS 37 HA LYS 37 -8.289 2.488 9.660 278 1HB LYS 37 2HB LYS 37 -5.529 1.554 8.857 279 2HB LYS 37 1HB LYS 37 -6.288 2.974 8.135 280 1HG LYS 37 2HG LYS 37 -6.728 3.606 10.680 281 2HG LYS 37 1HG LYS 37 -5.335 2.556 10.940 282 1HD LYS 37 2HD LYS 37 -3.963 4.220 10.305 283 2HD LYS 37 1HD LYS 37 -4.734 4.246 8.720 284 1HE LYS 37 2HE LYS 37 -5.157 6.416 9.432 285 2HE LYS 37 1HE LYS 37 -6.610 5.598 10.004 286 1HZ LYS 37 1HE LYS 37 -5.920 5.667 12.158 287 2HZ LYS 37 2HE LYS 37 -5.179 7.087 11.591 288 3HZ LYS 37 3HE LYS 37 -4.270 5.662 11.764 289 H ILE 38 HN ILE 38 -8.569 3.054 7.258 290 HA ILE 38 HA ILE 38 -9.805 0.745 5.931 291 HB ILE 38 HB ILE 38 -9.499 3.609 4.974 292 1HG1 ILE 38 2HG1 ILE 38 -11.839 2.263 6.363 293 2HG1 ILE 38 1HG1 ILE 38 -10.707 3.357 7.157 294 1HG2 ILE 38 1HG2 ILE 38 -10.929 1.182 3.974 295 2HG2 ILE 38 2HG2 ILE 38 -10.135 2.468 3.065 296 3HG2 ILE 38 3HG2 ILE 38 -11.721 2.746 3.786 297 1HD1 ILE 38 1HD1 ILE 38 -12.891 4.395 6.291 298 2HD1 ILE 38 2HD1 ILE 38 -12.223 4.169 4.675 299 3HD1 ILE 38 3HD1 ILE 38 -11.395 5.205 5.835 300 H MET 39 HN MET 39 -8.727 -0.548 4.523 301 HA MET 39 HA MET 39 -6.149 0.437 3.388 302 1HB MET 39 2HB MET 39 -6.531 -1.802 4.772 303 2HB MET 39 1HB MET 39 -7.018 -2.418 3.193 304 1HG MET 39 2HG MET 39 -4.878 -1.687 2.230 305 2HG MET 39 1HG MET 39 -4.388 -1.035 3.795 306 1HE MET 39 1HE MET 39 -5.916 -3.905 2.027 307 2HE MET 39 2HE MET 39 -5.155 -5.376 2.630 308 3HE MET 39 3HE MET 39 -4.257 -4.304 1.560 309 H VAL 40 HN VAL 40 -6.343 1.209 1.321 310 HA VAL 40 HA VAL 40 -8.524 0.214 -0.406 311 HB VAL 40 HB VAL 40 -6.415 2.301 -1.026 312 1HG1 VAL 40 1HG1 VAL 40 -9.192 1.862 -2.162 313 2HG1 VAL 40 2HG1 VAL 40 -7.708 1.304 -2.934 314 3HG1 VAL 40 3HG1 VAL 40 -7.995 3.031 -2.721 315 1HG2 VAL 40 1HG2 VAL 40 -7.745 2.822 1.038 316 2HG2 VAL 40 2HG2 VAL 40 -9.216 2.701 0.073 317 3HG2 VAL 40 3HG2 VAL 40 -8.032 3.960 -0.277 318 H VAL 41 HN VAL 41 -8.144 -1.581 -1.572 319 HA VAL 41 HA VAL 41 -5.502 -1.865 -2.921 320 HB VAL 41 HB VAL 41 -5.783 -4.387 -2.569 321 1HG1 VAL 41 1HG1 VAL 41 -4.290 -2.668 -1.278 322 2HG1 VAL 41 2HG1 VAL 41 -4.477 -4.302 -0.643 323 3HG1 VAL 41 3HG1 VAL 41 -5.408 -2.974 0.051 324 1HG2 VAL 41 1HG2 VAL 41 -7.070 -4.524 -0.161 325 2HG2 VAL 41 2HG2 VAL 41 -7.824 -4.917 -1.705 326 3HG2 VAL 41 3HG2 VAL 41 -8.052 -3.323 -0.995 327 H GLY 42 HN GLY 42 -5.684 -2.430 -5.078 328 1HA GLY 42 2HA GLY 42 -8.252 -2.349 -6.347 329 2HA GLY 42 1HA GLY 42 -6.745 -2.819 -7.131 330 H ARG 43 HN ARG 43 -9.389 -4.059 -7.425 331 HA ARG 43 HA ARG 43 -9.697 -6.463 -5.975 332 1HB ARG 43 2HB ARG 43 -11.392 -5.552 -7.531 333 2HB ARG 43 1HB ARG 43 -10.350 -5.952 -8.889 334 1HG ARG 43 2HG ARG 43 -10.894 -8.177 -7.016 335 2HG ARG 43 1HG ARG 43 -12.277 -7.615 -7.955 336 1HD ARG 43 2HD ARG 43 -9.597 -8.468 -9.094 337 2HD ARG 43 1HD ARG 43 -11.085 -9.404 -9.157 338 HE ARG 43 HE ARG 43 -11.406 -6.769 -10.342 339 1HH1 ARG 43 1HH2 ARG 43 -10.243 -10.005 -10.829 340 2HH1 ARG 43 2HH2 ARG 43 -10.415 -9.935 -12.549 341 1HH2 ARG 43 1HH1 ARG 43 -11.619 -6.694 -12.591 342 2HH2 ARG 43 2HH1 ARG 43 -11.189 -8.076 -13.540 343 H ARG 44 HN ARG 44 -7.229 -5.640 -8.271 344 HA ARG 44 HA ARG 44 -6.695 -8.390 -9.092 345 1HB ARG 44 2HB ARG 44 -5.782 -5.761 -9.810 346 2HB ARG 44 1HB ARG 44 -4.381 -6.762 -9.431 347 1HG ARG 44 2HG ARG 44 -6.581 -7.837 -11.182 348 2HG ARG 44 1HG ARG 44 -5.327 -6.801 -11.865 349 1HD ARG 44 2HD ARG 44 -3.596 -8.335 -10.951 350 2HD ARG 44 1HD ARG 44 -4.877 -9.391 -10.355 351 HE ARG 44 HE ARG 44 -5.101 -8.842 -13.208 352 1HH1 ARG 44 1HH1 ARG 44 -3.610 -10.801 -10.759 353 2HH1 ARG 44 2HH1 ARG 44 -3.341 -12.136 -11.826 354 1HH2 ARG 44 1HH2 ARG 44 -4.744 -10.583 -14.584 355 2HH2 ARG 44 2HH2 ARG 44 -3.978 -12.014 -13.980 356 H THR 45 HN THR 45 -5.136 -6.053 -6.870 357 HA THR 45 HA THR 45 -3.197 -7.981 -5.911 358 HB THR 45 HB THR 45 -4.168 -5.524 -4.427 359 HG1 THR 45 HG1 THR 45 -2.210 -5.748 -6.468 360 1HG2 THR 45 1HG2 THR 45 -2.039 -5.584 -3.371 361 2HG2 THR 45 2HG2 THR 45 -1.397 -6.723 -4.553 362 3HG2 THR 45 3HG2 THR 45 -2.589 -7.259 -3.369 363 H TYR 46 HN TYR 46 -6.251 -6.695 -4.558 364 HA TYR 46 HA TYR 46 -6.322 -8.181 -2.167 365 1HB TYR 46 2HB TYR 46 -7.970 -6.393 -3.047 366 2HB TYR 46 1HB TYR 46 -8.781 -7.734 -3.855 367 HD1 TYR 46 HD1 TYR 46 -10.181 -9.228 -2.655 368 HD2 TYR 46 HD2 TYR 46 -7.639 -6.498 -0.529 369 HE1 TYR 46 HE1 TYR 46 -11.317 -9.821 -0.532 370 HE2 TYR 46 HE2 TYR 46 -8.775 -7.091 1.593 371 HH TYR 46 HH TYR 46 -10.099 -9.215 2.435 372 H GLU 47 HN GLU 47 -7.329 -9.149 -5.441 373 HA GLU 47 HA GLU 47 -8.251 -11.773 -4.593 374 1HB GLU 47 2HB GLU 47 -7.732 -10.437 -7.234 375 2HB GLU 47 1HB GLU 47 -7.965 -12.185 -7.176 376 1HG GLU 47 HG2 GLU 47 -10.040 -11.481 -5.648 377 2HG GLU 47 HG1 GLU 47 -9.907 -9.994 -6.588 378 H SER 48 HN SER 48 -5.174 -10.390 -5.165 379 HA SER 48 HA SER 48 -3.925 -13.031 -5.705 380 1HB SER 48 2HB SER 48 -3.009 -10.182 -5.898 381 2HB SER 48 1HB SER 48 -1.806 -11.450 -5.685 382 HG SER 48 HG SER 48 -3.289 -10.791 -7.870 383 H PHE 49 HN PHE 49 -4.472 -10.755 -3.140 384 HA PHE 49 HA PHE 49 -2.404 -11.090 -1.345 385 1HB PHE 49 2HB PHE 49 -5.309 -10.665 -1.109 386 2HB PHE 49 1HB PHE 49 -4.583 -11.397 0.320 387 HD1 PHE 49 HD1 PHE 49 -3.088 -10.156 1.743 388 HD2 PHE 49 HD2 PHE 49 -4.471 -8.471 -1.955 389 HE1 PHE 49 HE1 PHE 49 -2.203 -7.941 2.418 390 HE2 PHE 49 HE2 PHE 49 -3.581 -6.258 -1.282 391 HZ PHE 49 HZ PHE 49 -2.443 -5.994 0.905 392 HA PRO 50 HA PRO 50 -2.194 -15.400 -0.273 393 1HB PRO 50 2HB PRO 50 -1.030 -15.044 2.247 394 2HB PRO 50 1HB PRO 50 -0.163 -15.134 0.708 395 1HG PRO 50 2HG PRO 50 -0.488 -12.868 2.432 396 2HG PRO 50 1HG PRO 50 0.416 -12.976 0.916 397 1HD PRO 50 2HD PRO 50 -2.196 -11.781 1.409 398 2HD PRO 50 1HD PRO 50 -1.156 -11.641 -0.016 399 H LYS 51 HN LYS 51 -2.932 -13.512 2.687 400 HA LYS 51 HA LYS 51 -5.239 -15.361 3.143 401 1HB LYS 51 2HB LYS 51 -3.181 -14.335 5.109 402 2HB LYS 51 1HB LYS 51 -4.740 -14.976 5.628 403 1HG LYS 51 2HG LYS 51 -4.100 -17.112 5.256 404 2HG LYS 51 1HG LYS 51 -3.417 -16.713 3.680 405 1HD LYS 51 2HD LYS 51 -1.486 -15.623 5.027 406 2HD LYS 51 1HD LYS 51 -2.104 -16.558 6.389 407 1HE LYS 51 2HE LYS 51 -0.723 -18.180 5.570 408 2HE LYS 51 1HE LYS 51 -2.061 -18.477 4.461 409 1HZ LYS 51 1HE LYS 51 -0.908 -17.676 2.745 410 2HZ LYS 51 2HE LYS 51 0.464 -17.864 3.727 411 3HZ LYS 51 3HE LYS 51 -0.306 -16.354 3.620 412 H ARG 52 HN ARG 52 -6.876 -13.970 2.530 413 HA ARG 52 HA ARG 52 -7.096 -11.441 4.105 414 1HB ARG 52 2HB ARG 52 -8.297 -10.518 2.014 415 2HB ARG 52 1HB ARG 52 -6.540 -10.638 1.945 416 1HG ARG 52 2HG ARG 52 -6.651 -12.060 0.203 417 2HG ARG 52 1HG ARG 52 -7.729 -13.133 1.092 418 1HD ARG 52 2HD ARG 52 -9.632 -11.612 0.499 419 2HD ARG 52 1HD ARG 52 -8.525 -10.701 -0.528 420 HE ARG 52 HE ARG 52 -8.155 -13.090 -1.614 421 1HH1 ARG 52 1HH1 ARG 52 -11.118 -11.758 -0.366 422 2HH1 ARG 52 2HH1 ARG 52 -12.112 -12.686 -1.431 423 1HH2 ARG 52 1HH2 ARG 52 -9.467 -14.285 -2.983 424 2HH2 ARG 52 2HH2 ARG 52 -11.188 -14.106 -2.903 425 HA PRO 53 HA PRO 53 -8.657 -9.761 3.924 426 1HB PRO 53 2HB PRO 53 -10.427 -9.043 5.996 427 2HB PRO 53 1HB PRO 53 -10.632 -8.708 4.272 428 1HG PRO 53 2HG PRO 53 -12.163 -10.471 5.900 429 2HG PRO 53 1HG PRO 53 -12.323 -10.182 4.162 430 1HD PRO 53 2HD PRO 53 -11.104 -12.454 5.552 431 2HD PRO 53 1HD PRO 53 -11.609 -12.313 3.860 432 H LEU 54 HN LEU 54 -7.927 -8.430 5.917 433 HA LEU 54 HA LEU 54 -6.342 -10.201 7.630 434 1HB LEU 54 2HB LEU 54 -6.583 -7.177 7.644 435 2HB LEU 54 1HB LEU 54 -5.348 -8.120 8.478 436 HG LEU 54 HG LEU 54 -5.751 -8.447 5.516 437 1HD1 LEU 54 1HD1 LEU 54 -4.618 -6.113 6.960 438 2HD1 LEU 54 2HD1 LEU 54 -5.302 -6.210 5.338 439 3HD1 LEU 54 3HD1 LEU 54 -3.646 -6.742 5.629 440 1HD2 LEU 54 1HD2 LEU 54 -4.232 -10.037 6.235 441 2HD2 LEU 54 2HD2 LEU 54 -3.670 -9.043 7.577 442 3HD2 LEU 54 3HD2 LEU 54 -3.128 -8.695 5.937 443 HA PRO 55 HA PRO 55 -8.989 -10.408 11.157 444 1HB PRO 55 2HB PRO 55 -6.919 -10.261 13.092 445 2HB PRO 55 1HB PRO 55 -7.662 -11.719 12.424 446 1HG PRO 55 2HG PRO 55 -5.031 -10.661 11.944 447 2HG PRO 55 1HG PRO 55 -5.733 -12.183 11.381 448 1HD PRO 55 2HD PRO 55 -5.201 -9.836 9.847 449 2HD PRO 55 1HD PRO 55 -5.957 -11.340 9.303 450 H GLU 56 HN GLU 56 -10.145 -8.838 12.153 451 HA GLU 56 HA GLU 56 -10.728 -6.713 12.969 452 1HB GLU 56 2HB GLU 56 -8.048 -7.243 14.260 453 2HB GLU 56 1HB GLU 56 -9.015 -5.821 14.652 454 1HG GLU 56 HG2 GLU 56 -10.069 -7.129 16.165 455 2HG GLU 56 HG1 GLU 56 -10.856 -7.898 14.787 456 H ARG 57 HN ARG 57 -9.782 -6.526 10.372 457 HA ARG 57 HA ARG 57 -8.386 -3.892 10.479 458 1HB ARG 57 2HB ARG 57 -7.552 -6.364 9.034 459 2HB ARG 57 1HB ARG 57 -7.327 -4.823 8.209 460 1HG ARG 57 2HG ARG 57 -5.512 -4.388 9.461 461 2HG ARG 57 1HG ARG 57 -6.473 -4.530 10.932 462 1HD ARG 57 2HD ARG 57 -6.162 -7.167 10.171 463 2HD ARG 57 1HD ARG 57 -4.611 -6.454 9.725 464 HE ARG 57 HE ARG 57 -5.364 -5.605 12.365 465 1HH1 ARG 57 1HH2 ARG 57 -4.191 -8.314 10.545 466 2HH1 ARG 57 2HH2 ARG 57 -3.369 -9.016 11.896 467 1HH2 ARG 57 1HH1 ARG 57 -4.287 -6.519 14.113 468 2HH2 ARG 57 2HH1 ARG 57 -3.421 -8.004 13.907 469 H THR 58 HN THR 58 -9.278 -2.390 9.119 470 HA THR 58 HA THR 58 -11.659 -3.196 7.578 471 HB THR 58 HB THR 58 -10.509 -0.410 7.689 472 HG1 THR 58 HG1 THR 58 -10.669 -0.680 9.782 473 1HG2 THR 58 1HG2 THR 58 -12.358 -0.239 6.363 474 2HG2 THR 58 2HG2 THR 58 -13.206 -0.213 7.909 475 3HG2 THR 58 3HG2 THR 58 -13.076 -1.719 7.000 476 H ASN 59 HN ASN 59 -11.435 -3.799 5.485 477 HA ASN 59 HA ASN 59 -9.229 -2.545 3.900 478 1HB ASN 59 2HB ASN 59 -10.202 -5.411 3.929 479 2HB ASN 59 1HB ASN 59 -9.224 -4.755 2.616 480 1HD2 ASN 59 1HD2 ASN 59 -9.167 -4.914 6.230 481 2HD2 ASN 59 2HD2 ASN 59 -7.485 -5.121 6.333 482 H VAL 60 HN VAL 60 -9.778 -1.901 1.807 483 HA VAL 60 HA VAL 60 -12.632 -2.311 1.010 484 HB VAL 60 HB VAL 60 -10.927 0.152 0.522 485 1HG1 VAL 60 1HG1 VAL 60 -13.522 0.876 0.120 486 2HG1 VAL 60 2HG1 VAL 60 -13.562 -0.797 -0.437 487 3HG1 VAL 60 3HG1 VAL 60 -12.442 0.350 -1.171 488 1HG2 VAL 60 1HG2 VAL 60 -12.212 1.243 2.216 489 2HG2 VAL 60 2HG2 VAL 60 -11.693 -0.286 2.925 490 3HG2 VAL 60 3HG2 VAL 60 -13.342 -0.103 2.328 491 H VAL 61 HN VAL 61 -12.905 -3.062 -1.073 492 HA VAL 61 HA VAL 61 -10.430 -3.502 -2.659 493 HB VAL 61 HB VAL 61 -13.206 -4.632 -3.123 494 1HG1 VAL 61 1HG1 VAL 61 -11.091 -4.589 -4.828 495 2HG1 VAL 61 2HG1 VAL 61 -12.275 -5.894 -4.785 496 3HG1 VAL 61 3HG1 VAL 61 -10.740 -6.066 -3.933 497 1HG2 VAL 61 1HG2 VAL 61 -10.886 -6.025 -1.766 498 2HG2 VAL 61 2HG2 VAL 61 -12.562 -6.563 -1.871 499 3HG2 VAL 61 3HG2 VAL 61 -12.142 -5.183 -0.858 500 H LEU 62 HN LEU 62 -10.324 -2.824 -4.855 501 HA LEU 62 HA LEU 62 -12.387 -0.798 -5.623 502 1HB LEU 62 2HB LEU 62 -9.489 -0.617 -5.465 503 2HB LEU 62 1HB LEU 62 -10.051 -0.277 -7.103 504 HG LEU 62 HG LEU 62 -11.772 1.281 -6.057 505 1HD1 LEU 62 1HD1 LEU 62 -11.207 2.093 -3.772 506 2HD1 LEU 62 2HD1 LEU 62 -9.979 0.833 -3.651 507 3HD1 LEU 62 3HD1 LEU 62 -11.683 0.394 -3.776 508 1HD2 LEU 62 1HD2 LEU 62 -10.315 3.040 -6.319 509 2HD2 LEU 62 2HD2 LEU 62 -9.259 1.768 -6.932 510 3HD2 LEU 62 3HD2 LEU 62 -9.097 2.322 -5.266 511 H THR 63 HN THR 63 -13.550 -1.446 -7.353 512 HA THR 63 HA THR 63 -12.197 -2.920 -9.537 513 HB THR 63 HB THR 63 -13.027 -4.702 -8.077 514 HG1 THR 63 HG1 THR 63 -13.369 -4.674 -10.472 515 1HG2 THR 63 1HG2 THR 63 -14.826 -3.113 -7.095 516 2HG2 THR 63 2HG2 THR 63 -15.241 -4.817 -7.281 517 3HG2 THR 63 3HG2 THR 63 -15.817 -3.637 -8.456 518 H HIS 64 HN HIS 64 -13.522 -2.979 -11.504 519 HA HIS 64 HA HIS 64 -15.343 -0.636 -11.642 520 1HB HIS 64 2HB HIS 64 -13.594 -2.087 -13.563 521 2HB HIS 64 1HB HIS 64 -15.092 -1.421 -14.214 522 HD1 HIS 64 HD1 HIS 64 -15.261 1.109 -14.450 523 HD2 HIS 64 HD2 HIS 64 -11.814 -0.089 -12.434 524 HE1 HIS 64 HE1 HIS 64 -13.814 3.174 -14.216 525 H GLN 65 HN GLN 65 -15.755 -3.757 -10.888 526 HA GLN 65 HA GLN 65 -17.838 -4.522 -12.774 527 1HB GLN 65 2HB GLN 65 -16.770 -5.644 -10.192 528 2HB GLN 65 1HB GLN 65 -18.269 -6.272 -10.878 529 1HG GLN 65 2HG GLN 65 -16.417 -7.623 -11.693 530 2HG GLN 65 1HG GLN 65 -17.054 -6.670 -13.034 531 1HE2 GLN 65 1HE2 GLN 65 -14.223 -7.277 -11.100 532 2HE2 GLN 65 2HE2 GLN 65 -13.226 -6.101 -11.815 533 H GLU 66 HN GLU 66 -20.022 -5.280 -11.524 534 HA GLU 66 HA GLU 66 -20.915 -2.905 -9.936 535 1HB GLU 66 2HB GLU 66 -21.766 -3.276 -12.401 536 2HB GLU 66 1HB GLU 66 -22.817 -4.475 -11.645 537 1HG GLU 66 HG2 GLU 66 -24.175 -2.641 -11.381 538 2HG GLU 66 HG1 GLU 66 -23.199 -2.443 -9.925 539 H ASP 67 HN ASP 67 -21.037 -6.399 -10.326 540 HA ASP 67 HA ASP 67 -22.747 -6.558 -7.882 541 1HB ASP 67 2HB ASP 67 -22.521 -8.182 -10.335 542 2HB ASP 67 1HB ASP 67 -22.626 -9.122 -8.846 543 H TYR 68 HN TYR 68 -19.878 -6.004 -7.745 544 HA TYR 68 HA TYR 68 -18.375 -8.370 -7.177 545 1HB TYR 68 2HB TYR 68 -17.586 -5.879 -7.405 546 2HB TYR 68 1HB TYR 68 -17.911 -5.807 -5.673 547 HD1 TYR 68 HD1 TYR 68 -16.029 -7.688 -8.282 548 HD2 TYR 68 HD2 TYR 68 -16.416 -6.780 -4.101 549 HE1 TYR 68 HE1 TYR 68 -13.886 -8.850 -7.832 550 HE2 TYR 68 HE2 TYR 68 -14.271 -7.942 -3.651 551 HH TYR 68 HH TYR 68 -12.649 -9.826 -6.103 552 H GLN 69 HN GLN 69 -18.842 -9.839 -5.627 553 HA GLN 69 HA GLN 69 -20.338 -8.938 -3.208 554 1HB GLN 69 2HB GLN 69 -19.840 -11.731 -4.288 555 2HB GLN 69 1HB GLN 69 -20.809 -11.344 -2.865 556 1HG GLN 69 2HG GLN 69 -21.436 -10.019 -5.488 557 2HG GLN 69 1HG GLN 69 -21.998 -11.663 -5.187 558 1HE2 GLN 69 1HE2 GLN 69 -22.937 -8.467 -4.859 559 2HE2 GLN 69 2HE2 GLN 69 -24.057 -8.643 -3.595 560 H ALA 70 HN ALA 70 -18.910 -8.342 -1.623 561 HA ALA 70 HA ALA 70 -16.800 -10.311 -0.905 562 1HB ALA 70 1HB ALA 70 -15.504 -7.959 -0.397 563 2HB ALA 70 2HB ALA 70 -16.392 -7.549 -1.864 564 3HB ALA 70 3HB ALA 70 -15.279 -8.916 -1.861 565 H GLN 71 HN GLN 71 -18.165 -10.825 0.926 566 HA GLN 71 HA GLN 71 -18.948 -8.744 2.815 567 1HB GLN 71 2HB GLN 71 -18.850 -11.770 3.025 568 2HB GLN 71 1HB GLN 71 -19.457 -10.723 4.308 569 1HG GLN 71 2HG GLN 71 -20.853 -9.738 2.201 570 2HG GLN 71 1HG GLN 71 -20.686 -11.420 1.699 571 1HE2 GLN 71 1HE2 GLN 71 -22.696 -12.343 2.224 572 2HE2 GLN 71 2HE2 GLN 71 -23.420 -12.249 3.756 573 H GLY 72 HN GLY 72 -17.993 -8.604 5.052 574 1HA GLY 72 2HA GLY 72 -16.185 -8.822 6.587 575 2HA GLY 72 1HA GLY 72 -15.334 -9.823 5.407 576 H ALA 73 HN ALA 73 -15.378 -8.166 3.174 577 HA ALA 73 HA ALA 73 -13.591 -5.951 4.032 578 1HB ALA 73 1HB ALA 73 -12.556 -7.480 2.452 579 2HB ALA 73 2HB ALA 73 -12.906 -5.975 1.602 580 3HB ALA 73 3HB ALA 73 -13.950 -7.378 1.377 581 H VAL 74 HN VAL 74 -13.814 -4.099 2.066 582 HA VAL 74 HA VAL 74 -16.729 -3.450 2.030 583 HB VAL 74 HB VAL 74 -14.349 -1.587 1.731 584 1HG1 VAL 74 1HG1 VAL 74 -16.294 0.051 2.408 585 2HG1 VAL 74 2HG1 VAL 74 -17.331 -1.240 1.802 586 3HG1 VAL 74 3HG1 VAL 74 -16.147 -0.485 0.734 587 1HG2 VAL 74 1HG2 VAL 74 -14.521 -2.643 4.002 588 2HG2 VAL 74 2HG2 VAL 74 -16.151 -1.984 4.138 589 3HG2 VAL 74 3HG2 VAL 74 -14.766 -0.897 4.025 590 H VAL 75 HN VAL 75 -17.390 -2.306 -0.096 591 HA VAL 75 HA VAL 75 -15.571 -3.056 -2.334 592 HB VAL 75 HB VAL 75 -18.562 -3.566 -2.276 593 1HG1 VAL 75 1HG1 VAL 75 -16.791 -4.820 -4.295 594 2HG1 VAL 75 2HG1 VAL 75 -17.003 -3.077 -4.456 595 3HG1 VAL 75 3HG1 VAL 75 -18.408 -4.142 -4.481 596 1HG2 VAL 75 1HG2 VAL 75 -17.651 -5.243 -0.894 597 2HG2 VAL 75 2HG2 VAL 75 -16.160 -5.332 -1.831 598 3HG2 VAL 75 3HG2 VAL 75 -17.654 -6.001 -2.486 599 H VAL 76 HN VAL 76 -15.311 -1.368 -3.724 600 HA VAL 76 HA VAL 76 -17.515 0.594 -4.041 601 HB VAL 76 HB VAL 76 -15.895 2.479 -3.805 602 1HG1 VAL 76 1HG1 VAL 76 -17.346 1.494 -1.902 603 2HG1 VAL 76 2HG1 VAL 76 -16.013 2.555 -1.445 604 3HG1 VAL 76 3HG1 VAL 76 -15.840 0.807 -1.294 605 1HG2 VAL 76 1HG2 VAL 76 -13.688 2.023 -3.783 606 2HG2 VAL 76 2HG2 VAL 76 -14.027 0.293 -3.760 607 3HG2 VAL 76 3HG2 VAL 76 -13.891 1.185 -2.245 608 H HIS 77 HN HIS 77 -17.152 1.969 -5.995 609 HA HIS 77 HA HIS 77 -15.154 0.840 -7.898 610 1HB HIS 77 2HB HIS 77 -17.988 1.427 -8.763 611 2HB HIS 77 1HB HIS 77 -16.756 0.490 -9.608 612 HD1 HIS 77 HD1 HIS 77 -15.870 -1.613 -7.818 613 HD2 HIS 77 HD2 HIS 77 -19.827 -0.313 -7.688 614 HE1 HIS 77 HE1 HIS 77 -17.202 -3.479 -6.737 615 H ASP 78 HN ASP 78 -15.284 3.365 -6.380 616 HA ASP 78 HA ASP 78 -14.707 5.172 -8.562 617 1HB ASP 78 2HB ASP 78 -17.418 5.047 -7.748 618 2HB ASP 78 1HB ASP 78 -16.770 6.544 -7.078 619 H VAL 79 HN VAL 79 -12.872 5.981 -7.646 620 HA VAL 79 HA VAL 79 -12.110 6.118 -5.000 621 HB VAL 79 HB VAL 79 -11.560 8.137 -7.195 622 1HG1 VAL 79 1HG1 VAL 79 -10.897 8.207 -4.368 623 2HG1 VAL 79 2HG1 VAL 79 -10.586 9.417 -5.613 624 3HG1 VAL 79 3HG1 VAL 79 -9.436 8.108 -5.351 625 1HG2 VAL 79 1HG2 VAL 79 -9.672 6.844 -7.693 626 2HG2 VAL 79 2HG2 VAL 79 -10.867 5.608 -7.298 627 3HG2 VAL 79 3HG2 VAL 79 -9.657 6.079 -6.104 628 H ALA 80 HN ALA 80 -14.381 8.264 -6.620 629 HA ALA 80 HA ALA 80 -14.465 10.363 -4.699 630 1HB ALA 80 1HB ALA 80 -16.948 9.385 -6.088 631 2HB ALA 80 2HB ALA 80 -15.651 10.130 -7.022 632 3HB ALA 80 3HB ALA 80 -16.452 11.041 -5.742 633 H ALA 81 HN ALA 81 -16.200 7.257 -4.843 634 HA ALA 81 HA ALA 81 -17.817 7.714 -2.514 635 1HB ALA 81 1HB ALA 81 -17.556 5.000 -2.590 636 2HB ALA 81 2HB ALA 81 -17.114 5.420 -4.245 637 3HB ALA 81 3HB ALA 81 -18.682 5.906 -3.601 638 H VAL 82 HN VAL 82 -14.688 6.026 -2.954 639 HA VAL 82 HA VAL 82 -14.345 5.189 -0.270 640 HB VAL 82 HB VAL 82 -12.140 6.141 -2.121 641 1HG1 VAL 82 1HG1 VAL 82 -12.086 5.190 0.510 642 2HG1 VAL 82 2HG1 VAL 82 -10.718 5.274 -0.598 643 3HG1 VAL 82 3HG1 VAL 82 -11.658 3.789 -0.470 644 1HG2 VAL 82 1HG2 VAL 82 -13.972 4.315 -2.880 645 2HG2 VAL 82 2HG2 VAL 82 -12.907 3.266 -1.946 646 3HG2 VAL 82 3HG2 VAL 82 -12.270 4.178 -3.314 647 H PHE 83 HN PHE 83 -13.548 8.283 -1.829 648 HA PHE 83 HA PHE 83 -12.233 9.458 0.428 649 1HB PHE 83 2HB PHE 83 -13.497 10.463 -2.084 650 2HB PHE 83 1HB PHE 83 -13.214 11.630 -0.793 651 HD1 PHE 83 HD1 PHE 83 -11.784 10.193 -3.635 652 HD2 PHE 83 HD2 PHE 83 -10.803 11.308 0.394 653 HE1 PHE 83 HE1 PHE 83 -9.384 10.312 -4.251 654 HE2 PHE 83 HE2 PHE 83 -8.406 11.426 -0.222 655 HZ PHE 83 HZ PHE 83 -7.696 10.927 -2.544 656 H ALA 84 HN ALA 84 -15.609 8.994 -0.364 657 HA ALA 84 HA ALA 84 -16.611 10.967 1.518 658 1HB ALA 84 1HB ALA 84 -18.261 10.538 -0.013 659 2HB ALA 84 2HB ALA 84 -18.723 9.326 1.182 660 3HB ALA 84 3HB ALA 84 -17.771 8.857 -0.227 661 H TYR 85 HN TYR 85 -15.616 7.604 1.759 662 HA TYR 85 HA TYR 85 -17.028 7.104 4.251 663 1HB TYR 85 2HB TYR 85 -15.986 5.444 2.448 664 2HB TYR 85 1HB TYR 85 -14.570 5.578 3.490 665 HD1 TYR 85 HD1 TYR 85 -18.293 5.212 3.872 666 HD2 TYR 85 HD2 TYR 85 -14.387 4.008 5.186 667 HE1 TYR 85 HE1 TYR 85 -19.323 3.631 5.483 668 HE2 TYR 85 HE2 TYR 85 -15.414 2.428 6.799 669 HH TYR 85 HH TYR 85 -17.716 1.162 6.915 670 H ALA 86 HN ALA 86 -13.589 7.691 3.436 671 HA ALA 86 HA ALA 86 -12.570 7.755 6.064 672 1HB ALA 86 1HB ALA 86 -11.025 9.629 4.888 673 2HB ALA 86 2HB ALA 86 -11.761 8.922 3.450 674 3HB ALA 86 3HB ALA 86 -10.842 7.906 4.561 675 H LYS 87 HN LYS 87 -14.062 10.364 4.164 676 HA LYS 87 HA LYS 87 -13.678 12.431 6.114 677 1HB LYS 87 2HB LYS 87 -14.621 12.380 3.562 678 2HB LYS 87 1HB LYS 87 -16.132 12.545 4.455 679 1HG LYS 87 2HG LYS 87 -15.581 14.626 5.281 680 2HG LYS 87 1HG LYS 87 -13.851 14.284 5.281 681 1HD LYS 87 2HD LYS 87 -13.630 15.303 3.289 682 2HD LYS 87 1HD LYS 87 -14.787 14.182 2.572 683 1HE LYS 87 2HE LYS 87 -15.769 16.305 2.233 684 2HE LYS 87 1HE LYS 87 -16.604 15.673 3.653 685 1HZ LYS 87 1HE LYS 87 -15.364 17.014 5.072 686 2HZ LYS 87 2HE LYS 87 -15.713 18.038 3.763 687 3HZ LYS 87 3HE LYS 87 -14.174 17.333 3.907 688 H GLN 88 HN GLN 88 -16.046 9.860 5.787 689 HA GLN 88 HA GLN 88 -17.820 11.047 7.810 690 1HB GLN 88 2HB GLN 88 -17.948 8.862 5.875 691 2HB GLN 88 1HB GLN 88 -18.613 8.405 7.444 692 1HG GLN 88 2HG GLN 88 -20.230 10.114 7.397 693 2HG GLN 88 1HG GLN 88 -19.357 11.031 6.169 694 1HE2 GLN 88 1HE2 GLN 88 -19.416 10.187 3.923 695 2HE2 GLN 88 2HE2 GLN 88 -20.653 9.129 3.442 696 H HIS 89 HN HIS 89 -15.284 8.557 7.711 697 HA HIS 89 HA HIS 89 -15.966 7.671 10.437 698 1HB HIS 89 2HB HIS 89 -14.150 6.767 8.264 699 2HB HIS 89 1HB HIS 89 -13.644 6.411 9.916 700 HD1 HIS 89 HD1 HIS 89 -14.539 4.262 10.782 701 HD2 HIS 89 HD2 HIS 89 -17.093 5.939 7.946 702 HE1 HIS 89 HE1 HIS 89 -16.469 2.645 10.510 703 HA PRO 90 HA PRO 90 -13.038 10.722 12.083 704 1HB PRO 90 2HB PRO 90 -14.112 10.588 14.630 705 2HB PRO 90 1HB PRO 90 -14.691 11.662 13.347 706 1HG PRO 90 2HG PRO 90 -16.020 9.389 14.521 707 2HG PRO 90 1HG PRO 90 -16.641 10.541 13.331 708 1HD PRO 90 2HD PRO 90 -15.629 7.830 12.909 709 2HD PRO 90 1HD PRO 90 -16.539 8.872 11.801 710 H ASP 91 HN ASP 91 -13.213 7.445 12.457 711 HA ASP 91 HA ASP 91 -10.865 7.436 14.300 712 1HB ASP 91 2HB ASP 91 -13.460 6.049 14.637 713 2HB ASP 91 1HB ASP 91 -12.031 5.052 14.913 714 H GLN 92 HN GLN 92 -11.849 6.865 11.285 715 HA GLN 92 HA GLN 92 -9.776 4.805 10.835 716 1HB GLN 92 2HB GLN 92 -12.430 4.038 10.939 717 2HB GLN 92 1HB GLN 92 -12.209 4.369 9.221 718 1HG GLN 92 2HG GLN 92 -10.756 2.628 8.935 719 2HG GLN 92 1HG GLN 92 -10.035 2.839 10.528 720 1HE2 GLN 92 1HE2 GLN 92 -13.112 1.724 9.015 721 2HE2 GLN 92 2HE2 GLN 92 -13.439 0.550 10.196 722 H GLU 93 HN GLU 93 -8.459 6.051 9.460 723 HA GLU 93 HA GLU 93 -9.764 7.937 7.625 724 1HB GLU 93 2HB GLU 93 -6.929 7.392 8.485 725 2HB GLU 93 1HB GLU 93 -7.259 8.392 7.072 726 1HG GLU 93 HG2 GLU 93 -8.711 9.849 8.453 727 2HG GLU 93 HG1 GLU 93 -8.327 8.868 9.868 728 H LEU 94 HN LEU 94 -7.837 7.836 5.555 729 HA LEU 94 HA LEU 94 -8.639 5.288 4.227 730 1HB LEU 94 2HB LEU 94 -9.039 7.852 3.376 731 2HB LEU 94 1HB LEU 94 -7.509 7.473 2.585 732 HG LEU 94 HG LEU 94 -8.602 5.304 1.803 733 1HD1 LEU 94 1HD1 LEU 94 -10.651 6.218 3.517 734 2HD1 LEU 94 2HD1 LEU 94 -10.711 4.825 2.439 735 3HD1 LEU 94 3HD1 LEU 94 -11.284 6.396 1.881 736 1HD2 LEU 94 1HD2 LEU 94 -10.209 7.504 0.631 737 2HD2 LEU 94 2HD2 LEU 94 -9.131 6.356 -0.160 738 3HD2 LEU 94 3HD2 LEU 94 -8.466 7.770 0.658 739 H VAL 95 HN VAL 95 -7.021 3.816 4.069 740 HA VAL 95 HA VAL 95 -4.218 4.848 3.870 741 HB VAL 95 HB VAL 95 -5.110 2.143 4.922 742 1HG1 VAL 95 1HG1 VAL 95 -2.441 3.335 5.482 743 2HG1 VAL 95 2HG1 VAL 95 -2.717 2.752 3.841 744 3HG1 VAL 95 3HG1 VAL 95 -2.885 1.651 5.208 745 1HG2 VAL 95 1HG2 VAL 95 -5.810 3.867 6.477 746 2HG2 VAL 95 2HG2 VAL 95 -4.249 4.677 6.347 747 3HG2 VAL 95 3HG2 VAL 95 -4.362 3.100 7.128 748 H ILE 96 HN ILE 96 -3.260 4.438 1.952 749 HA ILE 96 HA ILE 96 -4.659 2.731 0.005 750 HB ILE 96 HB ILE 96 -2.055 4.227 -0.365 751 1HG1 ILE 96 2HG1 ILE 96 -3.826 5.753 0.474 752 2HG1 ILE 96 1HG1 ILE 96 -3.422 6.092 -1.205 753 1HG2 ILE 96 1HG2 ILE 96 -4.198 3.219 -2.256 754 2HG2 ILE 96 2HG2 ILE 96 -2.544 2.627 -2.123 755 3HG2 ILE 96 3HG2 ILE 96 -2.851 4.248 -2.743 756 1HD1 ILE 96 1HD1 ILE 96 -5.897 6.037 -0.728 757 2HD1 ILE 96 2HD1 ILE 96 -5.727 4.318 -0.373 758 3HD1 ILE 96 3HD1 ILE 96 -5.375 4.923 -1.992 759 H ALA 97 HN ALA 97 -3.824 0.849 -0.882 760 HA ALA 97 HA ALA 97 -1.319 -0.212 0.339 761 1HB ALA 97 1HB ALA 97 -4.048 -1.412 0.256 762 2HB ALA 97 2HB ALA 97 -2.795 -1.559 1.487 763 3HB ALA 97 3HB ALA 97 -2.681 -2.496 -0.004 764 H GLY 98 HN GLY 98 -2.811 0.757 -2.423 765 1HA GLY 98 2HA GLY 98 -1.747 0.621 -4.565 766 2HA GLY 98 1HA GLY 98 -0.982 -0.884 -4.070 767 H GLY 99 HN GLY 99 -3.365 -2.263 -6.352 768 1HA GLY 99 2HA GLY 99 -0.601 -1.900 -5.629 769 2HA GLY 99 1HA GLY 99 -1.202 -2.427 -7.195 770 H ALA 100 HN ALA 100 -0.004 -1.114 -8.525 771 HA ALA 100 HA ALA 100 0.610 1.637 -8.039 772 1HB ALA 100 1HB ALA 100 1.978 0.766 -9.682 773 2HB ALA 100 2HB ALA 100 0.773 1.551 -10.703 774 3HB ALA 100 3HB ALA 100 0.680 -0.184 -10.405 775 H GLN 101 HN GLN 101 -2.118 0.061 -9.625 776 HA GLN 101 HA GLN 101 -3.247 2.337 -10.872 777 1HB GLN 101 2HB GLN 101 -4.030 -0.348 -10.376 778 2HB GLN 101 1HB GLN 101 -5.345 0.681 -9.806 779 1HG GLN 101 2HG GLN 101 -5.867 0.405 -12.078 780 2HG GLN 101 1HG GLN 101 -5.006 1.945 -12.068 781 1HE2 GLN 101 1HE2 GLN 101 -4.447 -1.572 -12.581 782 2HE2 GLN 101 2HE2 GLN 101 -3.150 -1.362 -13.655 783 H ILE 102 HN ILE 102 -3.682 1.137 -7.494 784 HA ILE 102 HA ILE 102 -5.557 3.252 -6.876 785 HB ILE 102 HB ILE 102 -3.926 1.601 -4.932 786 1HG1 ILE 102 2HG1 ILE 102 -5.012 0.078 -6.512 787 2HG1 ILE 102 1HG1 ILE 102 -5.866 0.026 -4.972 788 1HG2 ILE 102 1HG2 ILE 102 -5.885 1.967 -3.472 789 2HG2 ILE 102 2HG2 ILE 102 -6.648 2.926 -4.740 790 3HG2 ILE 102 3HG2 ILE 102 -5.168 3.499 -3.970 791 1HD1 ILE 102 1HD1 ILE 102 -7.264 1.997 -6.153 792 2HD1 ILE 102 2HD1 ILE 102 -7.689 0.297 -6.343 793 3HD1 ILE 102 3HD1 ILE 102 -6.755 1.117 -7.595 794 H PHE 103 HN PHE 103 -2.034 2.989 -6.763 795 HA PHE 103 HA PHE 103 -1.698 5.213 -4.935 796 1HB PHE 103 2HB PHE 103 0.182 3.892 -6.912 797 2HB PHE 103 1HB PHE 103 0.671 5.187 -5.823 798 HD1 PHE 103 HD1 PHE 103 1.396 2.040 -6.080 799 HD2 PHE 103 HD2 PHE 103 -0.938 4.441 -3.386 800 HE1 PHE 103 HE1 PHE 103 1.764 0.378 -4.277 801 HE2 PHE 103 HE2 PHE 103 -0.572 2.777 -1.587 802 HZ PHE 103 HZ PHE 103 0.779 0.746 -2.031 803 H THR 104 HN THR 104 -2.293 4.911 -8.347 804 HA THR 104 HA THR 104 -1.292 7.577 -9.005 805 HB THR 104 HB THR 104 -3.201 5.980 -10.705 806 HG1 THR 104 HG1 THR 104 -1.205 5.037 -11.535 807 1HG2 THR 104 1HG2 THR 104 -1.325 6.997 -12.350 808 2HG2 THR 104 2HG2 THR 104 -1.232 8.182 -11.047 809 3HG2 THR 104 3HG2 THR 104 -2.763 7.902 -11.876 810 H ALA 105 HN ALA 105 -4.576 6.124 -8.767 811 HA ALA 105 HA ALA 105 -5.963 8.572 -9.256 812 1HB ALA 105 1HB ALA 105 -7.722 7.261 -7.684 813 2HB ALA 105 2HB ALA 105 -6.649 5.922 -8.094 814 3HB ALA 105 3HB ALA 105 -7.451 6.833 -9.374 815 H PHE 106 HN PHE 106 -4.491 7.273 -6.345 816 HA PHE 106 HA PHE 106 -5.695 9.460 -4.728 817 1HB PHE 106 2HB PHE 106 -4.182 6.944 -4.024 818 2HB PHE 106 1HB PHE 106 -4.520 8.197 -2.833 819 HD1 PHE 106 HD1 PHE 106 -6.789 8.638 -2.068 820 HD2 PHE 106 HD2 PHE 106 -6.002 5.625 -5.022 821 HE1 PHE 106 HE1 PHE 106 -9.060 7.706 -1.725 822 HE2 PHE 106 HE2 PHE 106 -8.273 4.694 -4.682 823 HZ PHE 106 HZ PHE 106 -9.802 5.734 -3.031 824 H LYS 107 HN LYS 107 -2.933 9.014 -6.564 825 HA LYS 107 HA LYS 107 -0.883 9.971 -4.843 826 1HB LYS 107 2HB LYS 107 0.405 10.536 -6.802 827 2HB LYS 107 1HB LYS 107 -0.455 9.038 -7.123 828 1HG LYS 107 2HG LYS 107 -1.585 9.951 -8.845 829 2HG LYS 107 1HG LYS 107 -2.013 11.380 -7.911 830 1HD LYS 107 2HD LYS 107 0.540 11.977 -8.253 831 2HD LYS 107 1HD LYS 107 0.388 10.886 -9.630 832 1HE LYS 107 2HE LYS 107 -1.409 13.270 -9.101 833 2HE LYS 107 1HE LYS 107 -0.078 13.244 -10.257 834 1HZ LYS 107 1HE LYS 107 -2.309 11.299 -10.344 835 2HZ LYS 107 2HE LYS 107 -1.155 11.620 -11.548 836 3HZ LYS 107 3HE LYS 107 -2.349 12.772 -11.183 837 H ASP 108 HN ASP 108 -3.335 11.813 -6.667 838 HA ASP 108 HA ASP 108 -2.171 14.389 -6.172 839 1HB ASP 108 2HB ASP 108 -4.159 13.586 -7.748 840 2HB ASP 108 1HB ASP 108 -5.137 14.056 -6.357 841 H ASP 109 HN ASP 109 -4.465 12.396 -4.327 842 HA ASP 109 HA ASP 109 -4.488 14.483 -2.193 843 1HB ASP 109 2HB ASP 109 -6.381 12.332 -3.042 844 2HB ASP 109 1HB ASP 109 -6.341 12.763 -1.332 845 H VAL 110 HN VAL 110 -2.372 13.894 -1.319 846 HA VAL 110 HA VAL 110 -2.365 11.226 0.037 847 HB VAL 110 HB VAL 110 0.084 12.859 -0.636 848 1HG1 VAL 110 1HG1 VAL 110 -0.505 10.103 0.384 849 2HG1 VAL 110 2HG1 VAL 110 0.681 11.276 0.956 850 3HG1 VAL 110 3HG1 VAL 110 0.972 10.385 -0.538 851 1HG2 VAL 110 1HG2 VAL 110 -0.451 12.404 -2.806 852 2HG2 VAL 110 2HG2 VAL 110 -1.577 11.117 -2.368 853 3HG2 VAL 110 3HG2 VAL 110 0.158 10.800 -2.408 854 H ASP 111 HN ASP 111 -1.677 11.196 2.225 855 HA ASP 111 HA ASP 111 -1.305 13.873 3.500 856 1HB ASP 111 2HB ASP 111 -3.396 11.919 3.927 857 2HB ASP 111 1HB ASP 111 -2.460 12.130 5.406 858 H THR 112 HN THR 112 -0.659 10.392 3.593 859 HA THR 112 HA THR 112 1.879 10.959 5.027 860 HB THR 112 HB THR 112 0.070 8.704 5.915 861 HG1 THR 112 HG1 THR 112 -0.996 10.632 6.341 862 1HG2 THR 112 1HG2 THR 112 1.515 8.909 7.965 863 2HG2 THR 112 2HG2 THR 112 2.493 10.088 7.092 864 3HG2 THR 112 3HG2 THR 112 2.394 8.424 6.515 865 H LEU 113 HN LEU 113 3.509 9.862 4.014 866 HA LEU 113 HA LEU 113 2.731 7.586 2.239 867 1HB LEU 113 2HB LEU 113 5.186 9.363 2.153 868 2HB LEU 113 1HB LEU 113 4.855 8.038 1.043 869 HG LEU 113 HG LEU 113 2.710 10.077 1.365 870 1HD1 LEU 113 1HD1 LEU 113 5.155 10.611 -0.345 871 2HD1 LEU 113 2HD1 LEU 113 4.898 11.358 1.232 872 3HD1 LEU 113 3HD1 LEU 113 3.774 11.679 -0.088 873 1HD2 LEU 113 1HD2 LEU 113 2.031 8.764 -0.352 874 2HD2 LEU 113 2HD2 LEU 113 3.633 8.053 -0.542 875 3HD2 LEU 113 3HD2 LEU 113 3.249 9.587 -1.323 876 H LEU 114 HN LEU 114 3.522 5.582 2.690 877 HA LEU 114 HA LEU 114 5.738 5.358 4.684 878 1HB LEU 114 2HB LEU 114 3.257 3.627 4.423 879 2HB LEU 114 1HB LEU 114 4.610 3.285 5.502 880 HG LEU 114 HG LEU 114 3.474 6.016 5.703 881 1HD1 LEU 114 1HD1 LEU 114 1.815 4.593 7.405 882 2HD1 LEU 114 2HD1 LEU 114 1.812 3.609 5.942 883 3HD1 LEU 114 3HD1 LEU 114 1.330 5.303 5.866 884 1HD2 LEU 114 1HD2 LEU 114 3.758 5.444 8.143 885 2HD2 LEU 114 2HD2 LEU 114 5.241 5.310 7.199 886 3HD2 LEU 114 3HD2 LEU 114 4.347 3.858 7.646 887 H VAL 115 HN VAL 115 7.334 4.937 3.167 888 HA VAL 115 HA VAL 115 6.855 2.605 1.355 889 HB VAL 115 HB VAL 115 7.265 4.753 0.195 890 1HG1 VAL 115 1HG1 VAL 115 9.202 5.081 2.216 891 2HG1 VAL 115 2HG1 VAL 115 8.883 6.167 0.865 892 3HG1 VAL 115 3HG1 VAL 115 10.109 4.910 0.714 893 1HG2 VAL 115 1HG2 VAL 115 7.913 2.728 -0.954 894 2HG2 VAL 115 2HG2 VAL 115 9.413 2.625 -0.030 895 3HG2 VAL 115 3HG2 VAL 115 9.191 3.917 -1.211 896 H THR 116 HN THR 116 8.322 0.944 1.277 897 HA THR 116 HA THR 116 10.501 0.988 3.327 898 HB THR 116 HB THR 116 9.394 -1.525 2.082 899 HG1 THR 116 HG1 THR 116 7.905 -1.614 3.776 900 1HG2 THR 116 1HG2 THR 116 10.154 -1.387 4.924 901 2HG2 THR 116 2HG2 THR 116 11.468 -1.052 3.798 902 3HG2 THR 116 3HG2 THR 116 10.588 -2.577 3.698 903 H ARG 117 HN ARG 117 12.560 0.957 2.489 904 HA ARG 117 HA ARG 117 12.841 0.220 -0.390 905 1HB ARG 117 2HB ARG 117 13.825 2.419 1.120 906 2HB ARG 117 1HB ARG 117 15.219 1.433 0.678 907 1HG ARG 117 2HG ARG 117 14.281 1.392 -1.693 908 2HG ARG 117 1HG ARG 117 13.148 2.638 -1.171 909 1HD ARG 117 2HD ARG 117 15.848 3.301 -0.344 910 2HD ARG 117 1HD ARG 117 15.777 3.036 -2.085 911 HE ARG 117 HE ARG 117 14.451 5.199 -0.606 912 1HH1 ARG 117 1HH2 ARG 117 14.629 3.311 -3.521 913 2HH1 ARG 117 2HH2 ARG 117 13.867 4.524 -4.489 914 1HH2 ARG 117 1HH1 ARG 117 13.451 6.760 -1.880 915 2HH2 ARG 117 2HH1 ARG 117 13.202 6.463 -3.568 916 H LEU 118 HN LEU 118 13.646 -1.770 -0.728 917 HA LEU 118 HA LEU 118 15.065 -3.198 1.409 918 1HB LEU 118 2HB LEU 118 14.224 -3.954 -1.400 919 2HB LEU 118 1HB LEU 118 15.162 -5.032 -0.366 920 HG LEU 118 HG LEU 118 13.352 -4.753 1.389 921 1HD1 LEU 118 1HD1 LEU 118 12.143 -3.245 -0.914 922 2HD1 LEU 118 2HD1 LEU 118 12.180 -2.816 0.796 923 3HD1 LEU 118 3HD1 LEU 118 11.099 -4.089 0.230 924 1HD2 LEU 118 1HD2 LEU 118 11.717 -5.934 -0.629 925 2HD2 LEU 118 2HD2 LEU 118 12.719 -6.753 0.568 926 3HD2 LEU 118 3HD2 LEU 118 13.392 -6.334 -1.007 927 H ALA 119 HN ALA 119 17.223 -4.085 1.121 928 HA ALA 119 HA ALA 119 19.013 -2.203 -0.231 929 1HB ALA 119 1HB ALA 119 19.487 -4.701 1.410 930 2HB ALA 119 2HB ALA 119 19.754 -3.028 1.897 931 3HB ALA 119 3HB ALA 119 20.796 -3.770 0.683 932 H GLY 120 HN GLY 120 17.726 -5.419 -0.822 933 1HA GLY 120 2HA GLY 120 19.666 -6.080 -2.890 934 2HA GLY 120 1HA GLY 120 18.162 -6.942 -2.568 935 H SER 121 HN SER 121 18.822 -6.535 -5.189 936 HA SER 121 HA SER 121 16.951 -4.351 -6.019 937 1HB SER 121 2HB SER 121 19.225 -5.406 -7.706 938 2HB SER 121 1HB SER 121 18.290 -3.933 -7.944 939 HG SER 121 HG SER 121 20.079 -4.513 -5.812 940 H PHE 122 HN PHE 122 15.104 -5.256 -6.824 941 HA PHE 122 HA PHE 122 15.328 -7.914 -8.165 942 1HB PHE 122 2HB PHE 122 12.835 -6.621 -7.025 943 2HB PHE 122 1HB PHE 122 13.021 -8.290 -7.562 944 HD1 PHE 122 HD1 PHE 122 14.114 -9.945 -6.182 945 HD2 PHE 122 HD2 PHE 122 13.958 -5.830 -4.963 946 HE1 PHE 122 HE1 PHE 122 14.876 -10.588 -3.911 947 HE2 PHE 122 HE2 PHE 122 14.718 -6.472 -2.692 948 HZ PHE 122 HZ PHE 122 15.177 -8.851 -2.165 949 H GLU 123 HN GLU 123 13.825 -8.214 -10.025 950 HA GLU 123 HA GLU 123 13.416 -5.635 -11.487 951 1HB GLU 123 2HB GLU 123 13.728 -6.927 -13.584 952 2HB GLU 123 1HB GLU 123 15.159 -6.980 -12.555 953 1HG GLU 123 HG2 GLU 123 13.737 -9.154 -11.652 954 2HG GLU 123 HG1 GLU 123 13.353 -9.158 -13.372 955 H GLY 124 HN GLY 124 11.581 -5.683 -13.043 956 1HA GLY 124 2HA GLY 124 9.582 -7.713 -13.053 957 2HA GLY 124 1HA GLY 124 9.151 -6.511 -11.832 958 H ASP 125 HN ASP 125 7.301 -5.765 -13.138 959 HA ASP 125 HA ASP 125 8.171 -3.984 -15.348 960 1HB ASP 125 2HB ASP 125 5.947 -6.036 -15.407 961 2HB ASP 125 1HB ASP 125 5.994 -4.664 -16.515 962 H THR 126 HN THR 126 6.368 -4.534 -12.511 963 HA THR 126 HA THR 126 4.704 -2.098 -12.969 964 HB THR 126 HB THR 126 4.321 -3.963 -10.646 965 HG1 THR 126 HG1 THR 126 2.706 -4.599 -12.687 966 1HG2 THR 126 1HG2 THR 126 2.214 -3.019 -10.534 967 2HG2 THR 126 2HG2 THR 126 2.145 -2.709 -12.268 968 3HG2 THR 126 3HG2 THR 126 3.114 -1.668 -11.225 969 H LYS 127 HN LYS 127 5.523 -0.299 -12.030 970 HA LYS 127 HA LYS 127 7.077 -0.635 -9.497 971 1HB LYS 127 2HB LYS 127 7.573 1.337 -11.749 972 2HB LYS 127 1HB LYS 127 8.454 1.298 -10.221 973 1HG LYS 127 2HG LYS 127 9.867 -0.182 -11.166 974 2HG LYS 127 1HG LYS 127 8.540 -1.344 -11.170 975 1HD LYS 127 2HD LYS 127 7.957 -0.866 -13.394 976 2HD LYS 127 1HD LYS 127 8.784 0.692 -13.374 977 1HE LYS 127 2HE LYS 127 10.476 -1.698 -12.869 978 2HE LYS 127 1HE LYS 127 9.856 -1.513 -14.509 979 1HZ LYS 127 1HE LYS 127 11.010 0.833 -13.188 980 2HZ LYS 127 2HE LYS 127 11.005 0.408 -14.833 981 3HZ LYS 127 3HE LYS 127 12.070 -0.363 -13.757 982 H MET 128 HN MET 128 7.010 1.303 -8.095 983 HA MET 128 HA MET 128 4.342 2.248 -7.709 984 1HB MET 128 2HB MET 128 6.489 2.153 -6.116 985 2HB MET 128 1HB MET 128 6.629 3.834 -6.634 986 1HG MET 128 2HG MET 128 3.886 3.055 -5.921 987 2HG MET 128 1HG MET 128 5.019 2.940 -4.578 988 1HE MET 128 1HE MET 128 2.780 6.128 -4.455 989 2HE MET 128 2HE MET 128 3.731 5.326 -3.206 990 3HE MET 128 3HE MET 128 2.788 4.363 -4.341 991 H ILE 129 HN ILE 129 3.556 4.453 -7.908 992 HA ILE 129 HA ILE 129 4.270 5.674 -10.435 993 HB ILE 129 HB ILE 129 2.590 7.409 -9.717 994 1HG1 ILE 129 2HG1 ILE 129 1.602 5.885 -7.447 995 2HG1 ILE 129 1HG1 ILE 129 3.250 6.441 -7.156 996 1HG2 ILE 129 1HG2 ILE 129 2.179 4.886 -10.614 997 2HG2 ILE 129 2HG2 ILE 129 0.868 6.026 -10.315 998 3HG2 ILE 129 3HG2 ILE 129 1.280 4.819 -9.098 999 1HD1 ILE 129 1HD1 ILE 129 2.654 8.719 -7.490 1000 2HD1 ILE 129 2HD1 ILE 129 1.364 8.051 -6.490 1001 3HD1 ILE 129 3HD1 ILE 129 1.107 8.288 -8.218 1002 HA PRO 130 HA PRO 130 7.175 8.772 -9.199 1003 1HB PRO 130 2HB PRO 130 6.043 10.974 -10.588 1004 2HB PRO 130 1HB PRO 130 7.289 9.864 -11.174 1005 1HG PRO 130 2HG PRO 130 4.617 10.097 -12.091 1006 2HG PRO 130 1HG PRO 130 5.829 8.909 -12.587 1007 1HD PRO 130 2HD PRO 130 3.526 8.567 -10.822 1008 2HD PRO 130 1HD PRO 130 4.530 7.335 -11.603 1009 H LEU 131 HN LEU 131 6.874 9.216 -7.008 1010 HA LEU 131 HA LEU 131 4.646 10.965 -6.173 1011 1HB LEU 131 2HB LEU 131 6.698 9.286 -4.776 1012 2HB LEU 131 1HB LEU 131 5.949 10.614 -3.889 1013 HG LEU 131 HG LEU 131 4.414 8.445 -5.348 1014 1HD1 LEU 131 1HD1 LEU 131 5.738 7.703 -3.308 1015 2HD1 LEU 131 2HD1 LEU 131 3.995 7.458 -3.200 1016 3HD1 LEU 131 3HD1 LEU 131 4.748 8.814 -2.362 1017 1HD2 LEU 131 1HD2 LEU 131 2.763 9.994 -5.171 1018 2HD2 LEU 131 2HD2 LEU 131 3.704 10.992 -4.063 1019 3HD2 LEU 131 3HD2 LEU 131 2.779 9.622 -3.447 1020 H ASN 132 HN ASN 132 5.038 12.981 -5.036 1021 HA ASN 132 HA ASN 132 7.454 14.362 -6.053 1022 1HB ASN 132 2HB ASN 132 4.764 15.118 -5.743 1023 2HB ASN 132 1HB ASN 132 5.641 16.037 -4.520 1024 1HD2 ASN 132 1HD2 ASN 132 6.420 17.992 -5.305 1025 2HD2 ASN 132 2HD2 ASN 132 6.880 18.289 -6.911 1026 H TRP 133 HN TRP 133 8.674 12.982 -4.384 1027 HA TRP 133 HA TRP 133 8.465 13.274 -1.602 1028 1HB TRP 133 2HB TRP 133 11.062 13.178 -3.166 1029 2HB TRP 133 1HB TRP 133 10.828 12.693 -1.487 1030 HD1 TRP 133 HD1 TRP 133 10.394 11.504 -5.033 1031 HE1 TRP 133 HE1 TRP 133 9.535 9.073 -5.029 1032 HE3 TRP 133 HE3 TRP 133 9.311 10.960 -0.073 1033 HZ2 TRP 133 HZ2 TRP 133 8.524 7.152 -3.167 1034 HZ3 TRP 133 HZ3 TRP 133 8.403 8.821 0.788 1035 HH2 TRP 133 HH2 TRP 133 8.008 6.919 -0.752 1036 H ASP 134 HN ASP 134 9.679 15.561 -3.966 1037 HA ASP 134 HA ASP 134 11.082 17.297 -2.172 1038 1HB ASP 134 2HB ASP 134 10.345 17.287 -4.935 1039 2HB ASP 134 1HB ASP 134 9.860 18.838 -4.250 1040 H ASP 135 HN ASP 135 7.671 16.853 -2.823 1041 HA ASP 135 HA ASP 135 6.972 19.354 -1.403 1042 1HB ASP 135 2HB ASP 135 5.749 17.809 -3.428 1043 2HB ASP 135 1HB ASP 135 4.713 17.649 -2.010 1044 H PHE 136 HN PHE 136 7.648 16.145 -0.609 1045 HA PHE 136 HA PHE 136 5.979 16.337 1.872 1046 1HB PHE 136 2HB PHE 136 6.921 13.951 0.277 1047 2HB PHE 136 1HB PHE 136 6.376 13.796 1.946 1048 HD1 PHE 136 HD1 PHE 136 5.340 15.077 -1.405 1049 HD2 PHE 136 HD2 PHE 136 4.079 13.687 2.459 1050 HE1 PHE 136 HE1 PHE 136 2.985 15.059 -2.180 1051 HE2 PHE 136 HE2 PHE 136 1.723 13.670 1.683 1052 HZ PHE 136 HZ PHE 136 1.179 14.358 -0.637 1053 H THR 137 HN THR 137 7.030 15.296 3.809 1054 HA THR 137 HA THR 137 10.010 15.370 3.662 1055 HB THR 137 HB THR 137 8.493 16.541 5.996 1056 HG1 THR 137 HG1 THR 137 9.043 18.575 4.953 1057 1HG2 THR 137 1HG2 THR 137 10.553 17.205 6.745 1058 2HG2 THR 137 2HG2 THR 137 11.174 17.468 5.115 1059 3HG2 THR 137 3HG2 THR 137 11.087 15.834 5.773 1060 H LYS 138 HN LYS 138 10.919 13.614 4.685 1061 HA LYS 138 HA LYS 138 9.204 11.584 5.827 1062 1HB LYS 138 2HB LYS 138 11.338 11.129 4.589 1063 2HB LYS 138 1HB LYS 138 12.225 11.813 5.950 1064 1HG LYS 138 2HG LYS 138 10.239 9.745 6.669 1065 2HG LYS 138 1HG LYS 138 11.606 9.168 5.719 1066 1HD LYS 138 2HD LYS 138 11.937 10.898 8.177 1067 2HD LYS 138 1HD LYS 138 11.937 9.135 8.242 1068 1HE LYS 138 2HE LYS 138 13.965 8.957 7.157 1069 2HE LYS 138 1HE LYS 138 13.711 10.432 6.224 1070 1HZ LYS 138 1HE LYS 138 15.405 10.402 8.169 1071 2HZ LYS 138 2HE LYS 138 14.026 10.607 9.139 1072 3HZ LYS 138 3HE LYS 138 14.405 11.753 7.943 1073 H VAL 139 HN VAL 139 8.449 11.587 7.887 1074 HA VAL 139 HA VAL 139 9.796 13.329 9.884 1075 HB VAL 139 HB VAL 139 7.692 13.024 11.189 1076 1HG1 VAL 139 1HG1 VAL 139 6.264 14.329 9.655 1077 2HG1 VAL 139 2HG1 VAL 139 7.308 13.887 8.305 1078 3HG1 VAL 139 3HG1 VAL 139 7.930 14.903 9.605 1079 1HG2 VAL 139 1HG2 VAL 139 6.639 11.628 8.718 1080 2HG2 VAL 139 2HG2 VAL 139 5.845 11.807 10.283 1081 3HG2 VAL 139 3HG2 VAL 139 7.239 10.739 10.119 1082 H SER 140 HN SER 140 9.198 9.950 9.196 1083 HA SER 140 HA SER 140 10.746 9.274 11.642 1084 1HB SER 140 2HB SER 140 7.914 8.605 11.132 1085 2HB SER 140 1HB SER 140 8.912 7.250 11.649 1086 HG SER 140 HG SER 140 9.332 8.256 13.517 1087 H SER 141 HN SER 141 12.136 7.575 11.322 1088 HA SER 141 HA SER 141 11.701 5.729 9.063 1089 1HB SER 141 2HB SER 141 13.343 7.990 8.744 1090 2HB SER 141 1HB SER 141 14.449 6.643 8.982 1091 HG SER 141 HG SER 141 14.011 6.516 6.876 1092 H ARG 142 HN ARG 142 12.513 3.710 9.530 1093 HA ARG 142 HA ARG 142 14.457 3.485 11.788 1094 1HB ARG 142 2HB ARG 142 11.860 2.788 12.090 1095 2HB ARG 142 1HB ARG 142 12.480 1.293 11.389 1096 1HG ARG 142 2HG ARG 142 12.888 0.898 13.639 1097 2HG ARG 142 1HG ARG 142 14.414 1.644 13.165 1098 1HD ARG 142 2HD ARG 142 13.669 2.732 15.190 1099 2HD ARG 142 1HD ARG 142 13.451 3.868 13.860 1100 HE ARG 142 HE ARG 142 11.127 3.752 14.221 1101 1HH1 ARG 142 1HH2 ARG 142 12.755 1.062 15.693 1102 2HH1 ARG 142 2HH2 ARG 142 11.327 0.475 16.473 1103 1HH2 ARG 142 1HH1 ARG 142 9.277 2.977 15.239 1104 2HH2 ARG 142 2HH1 ARG 142 9.368 1.552 16.218 1105 H THR 143 HN THR 143 16.234 2.245 11.203 1106 HA THR 143 HA THR 143 16.051 0.792 8.609 1107 HB THR 143 HB THR 143 18.557 1.478 10.162 1108 HG1 THR 143 HG1 THR 143 17.599 3.408 9.712 1109 1HG2 THR 143 1HG2 THR 143 18.100 0.961 7.214 1110 2HG2 THR 143 2HG2 THR 143 18.658 -0.262 8.356 1111 3HG2 THR 143 3HG2 THR 143 19.652 1.157 8.025 1112 H VAL 144 HN VAL 144 16.057 -1.408 8.639 1113 HA VAL 144 HA VAL 144 17.115 -2.753 11.086 1114 HB VAL 144 HB VAL 144 14.641 -2.763 11.108 1115 1HG1 VAL 144 1HG1 VAL 144 14.500 -2.684 8.559 1116 2HG1 VAL 144 2HG1 VAL 144 13.363 -3.769 9.361 1117 3HG1 VAL 144 3HG1 VAL 144 14.807 -4.420 8.585 1118 1HG2 VAL 144 1HG2 VAL 144 14.387 -5.320 11.093 1119 2HG2 VAL 144 2HG2 VAL 144 15.636 -4.662 12.150 1120 3HG2 VAL 144 3HG2 VAL 144 16.080 -5.376 10.600 1121 H GLU 145 HN GLU 145 18.572 -4.314 10.656 1122 HA GLU 145 HA GLU 145 19.170 -4.970 7.847 1123 1HB GLU 145 2HB GLU 145 21.152 -6.115 8.798 1124 2HB GLU 145 1HB GLU 145 21.031 -4.453 9.373 1125 1HG GLU 145 HG2 GLU 145 21.279 -5.383 11.436 1126 2HG GLU 145 HG1 GLU 145 19.569 -5.779 11.273 1127 H ASP 146 HN ASP 146 19.500 -7.272 7.234 1128 HA ASP 146 HA ASP 146 17.845 -9.177 8.819 1129 1HB ASP 146 2HB ASP 146 17.089 -8.006 6.324 1130 2HB ASP 146 1HB ASP 146 17.457 -9.705 6.027 1131 H THR 147 HN THR 147 18.406 -11.425 8.410 1132 HA THR 147 HA THR 147 21.195 -11.897 8.040 1133 HB THR 147 HB THR 147 20.399 -14.337 7.763 1134 HG1 THR 147 HG1 THR 147 18.365 -14.333 7.200 1135 1HG2 THR 147 1HG2 THR 147 20.565 -12.614 10.005 1136 2HG2 THR 147 2HG2 THR 147 20.700 -14.372 9.990 1137 3HG2 THR 147 3HG2 THR 147 19.129 -13.611 10.243 1138 H ASN 148 HN ASN 148 18.669 -11.441 5.767 1139 HA ASN 148 HA ASN 148 20.270 -12.712 3.599 1140 1HB ASN 148 2HB ASN 148 17.557 -12.778 4.102 1141 2HB ASN 148 1HB ASN 148 17.683 -11.537 2.856 1142 1HD2 ASN 148 1HD2 ASN 148 17.536 -12.401 0.787 1143 2HD2 ASN 148 2HD2 ASN 148 18.077 -13.943 0.329 1144 HA PRO 149 HA PRO 149 21.965 -8.802 2.368 1145 1HB PRO 149 2HB PRO 149 21.988 -9.561 -0.398 1146 2HB PRO 149 1HB PRO 149 23.344 -9.540 0.737 1147 1HG PRO 149 2HG PRO 149 21.865 -11.805 -0.290 1148 2HG PRO 149 1HG PRO 149 23.354 -11.785 0.664 1149 1HD PRO 149 2HD PRO 149 20.838 -12.605 1.568 1150 2HD PRO 149 1HD PRO 149 22.240 -12.234 2.583 1151 H ALA 150 HN ALA 150 19.517 -10.204 0.176 1152 HA ALA 150 HA ALA 150 18.650 -7.577 -0.732 1153 1HB ALA 150 1HB ALA 150 18.376 -10.238 -1.616 1154 2HB ALA 150 2HB ALA 150 17.757 -8.789 -2.405 1155 3HB ALA 150 3HB ALA 150 16.739 -9.679 -1.274 1156 H LEU 151 HN LEU 151 17.498 -9.903 1.686 1157 HA LEU 151 HA LEU 151 14.920 -8.670 2.024 1158 1HB LEU 151 2HB LEU 151 16.507 -10.393 3.943 1159 2HB LEU 151 1HB LEU 151 14.810 -9.964 4.138 1160 HG LEU 151 HG LEU 151 16.018 -11.574 1.865 1161 1HD1 LEU 151 1HD1 LEU 151 14.484 -13.334 2.756 1162 2HD1 LEU 151 2HD1 LEU 151 14.073 -12.258 4.090 1163 3HD1 LEU 151 3HD1 LEU 151 15.720 -12.859 3.918 1164 1HD2 LEU 151 1HD2 LEU 151 13.723 -9.910 1.813 1165 2HD2 LEU 151 2HD2 LEU 151 13.127 -11.558 1.961 1166 3HD2 LEU 151 3HD2 LEU 151 14.188 -11.123 0.624 1167 H THR 152 HN THR 152 17.972 -7.465 2.846 1168 HA THR 152 HA THR 152 17.312 -6.192 5.363 1169 HB THR 152 HB THR 152 19.274 -5.185 3.279 1170 HG1 THR 152 HG1 THR 152 20.281 -6.976 3.625 1171 1HG2 THR 152 1HG2 THR 152 19.802 -3.672 4.851 1172 2HG2 THR 152 2HG2 THR 152 20.153 -4.969 5.993 1173 3HG2 THR 152 3HG2 THR 152 18.522 -4.306 5.885 1174 H HIS 153 HN HIS 153 16.460 -4.018 5.673 1175 HA HIS 153 HA HIS 153 15.910 -2.348 3.353 1176 1HB HIS 153 2HB HIS 153 13.413 -2.495 3.526 1177 2HB HIS 153 1HB HIS 153 14.174 -3.969 2.932 1178 HD1 HIS 153 HD1 HIS 153 14.757 -5.755 5.008 1179 HD2 HIS 153 HD2 HIS 153 11.689 -2.998 5.616 1180 HE1 HIS 153 HE1 HIS 153 13.354 -6.654 6.916 1181 H THR 154 HN THR 154 14.444 -0.479 3.952 1182 HA THR 154 HA THR 154 14.646 0.189 6.858 1183 HB THR 154 HB THR 154 15.076 2.215 4.660 1184 HG1 THR 154 HG1 THR 154 16.883 0.392 5.807 1185 1HG2 THR 154 1HG2 THR 154 16.582 2.895 6.863 1186 2HG2 THR 154 2HG2 THR 154 15.163 2.144 7.589 1187 3HG2 THR 154 3HG2 THR 154 14.973 3.519 6.504 1188 H TYR 155 HN TYR 155 12.955 1.651 7.594 1189 HA TYR 155 HA TYR 155 10.585 1.681 5.777 1190 1HB TYR 155 2HB TYR 155 10.794 1.988 8.790 1191 2HB TYR 155 1HB TYR 155 9.290 2.071 7.875 1192 HD1 TYR 155 HD1 TYR 155 8.696 0.034 6.385 1193 HD2 TYR 155 HD2 TYR 155 11.619 -0.081 9.529 1194 HE1 TYR 155 HE1 TYR 155 8.503 -2.437 6.474 1195 HE2 TYR 155 HE2 TYR 155 11.428 -2.552 9.617 1196 HH TYR 155 HH TYR 155 10.643 -4.403 7.723 1197 H GLU 156 HN GLU 156 10.099 3.655 4.865 1198 HA GLU 156 HA GLU 156 11.083 6.095 6.289 1199 1HB GLU 156 2HB GLU 156 10.728 5.473 3.355 1200 2HB GLU 156 1HB GLU 156 10.846 7.131 3.943 1201 1HG GLU 156 HG2 GLU 156 12.979 6.238 5.191 1202 2HG GLU 156 HG1 GLU 156 12.921 4.963 3.974 1203 H VAL 157 HN VAL 157 9.471 7.303 7.160 1204 HA VAL 157 HA VAL 157 6.727 7.059 5.986 1205 HB VAL 157 HB VAL 157 7.406 8.068 8.758 1206 1HG1 VAL 157 1HG1 VAL 157 4.978 7.025 8.992 1207 2HG1 VAL 157 2HG1 VAL 157 4.937 7.292 7.249 1208 3HG1 VAL 157 3HG1 VAL 157 5.200 8.650 8.344 1209 1HG2 VAL 157 1HG2 VAL 157 7.119 5.264 7.720 1210 2HG2 VAL 157 2HG2 VAL 157 6.528 5.645 9.337 1211 3HG2 VAL 157 3HG2 VAL 157 8.228 5.894 8.939 1212 H TRP 158 HN TRP 158 5.951 8.895 4.995 1213 HA TRP 158 HA TRP 158 7.330 11.470 5.647 1214 1HB TRP 158 2HB TRP 158 5.970 10.643 3.071 1215 2HB TRP 158 1HB TRP 158 6.700 12.214 3.374 1216 HD1 TRP 158 HD1 TRP 158 7.822 8.505 3.576 1217 HE1 TRP 158 HE1 TRP 158 10.237 8.365 2.683 1218 HE3 TRP 158 HE3 TRP 158 8.683 13.434 2.575 1219 HZ2 TRP 158 HZ2 TRP 158 12.268 10.114 1.682 1220 HZ3 TRP 158 HZ3 TRP 158 10.861 14.172 1.653 1221 HH2 TRP 158 HH2 TRP 158 12.654 12.519 1.206 1222 H GLN 159 HN GLN 159 5.970 13.401 5.431 1223 HA GLN 159 HA GLN 159 3.049 12.940 5.741 1224 1HB GLN 159 2HB GLN 159 4.892 14.332 7.689 1225 2HB GLN 159 1HB GLN 159 3.192 14.790 7.575 1226 1HG GLN 159 2HG GLN 159 3.100 12.013 7.663 1227 2HG GLN 159 1HG GLN 159 4.397 12.415 8.789 1228 1HE2 GLN 159 1HE2 GLN 159 3.668 12.830 10.874 1229 2HE2 GLN 159 2HE2 GLN 159 2.129 13.426 11.272 1230 H LYS 160 HN LYS 160 1.817 14.739 4.868 1231 HA LYS 160 HA LYS 160 3.347 16.445 3.065 1232 1HB LYS 160 2HB LYS 160 0.954 15.376 2.771 1233 2HB LYS 160 1HB LYS 160 0.422 16.818 3.637 1234 1HG LYS 160 2HG LYS 160 2.355 17.268 1.429 1235 2HG LYS 160 1HG LYS 160 0.739 16.749 0.949 1236 1HD LYS 160 2HD LYS 160 0.785 18.839 3.035 1237 2HD LYS 160 1HD LYS 160 1.425 19.348 1.472 1238 1HE LYS 160 2HE LYS 160 -0.597 19.022 0.381 1239 2HE LYS 160 1HE LYS 160 -1.141 17.803 1.533 1240 1HZ LYS 160 1HE LYS 160 -2.276 19.404 2.532 1241 2HZ LYS 160 2HE LYS 160 -1.580 20.605 1.552 1242 3HZ LYS 160 3HE LYS 160 -0.810 20.124 2.988 1243 H LYS 161 HN LYS 161 4.064 18.459 3.551 1244 HA LYS 161 HA LYS 161 3.546 19.606 6.176 1245 1HB LYS 161 2HB LYS 161 4.887 20.937 3.806 1246 2HB LYS 161 1HB LYS 161 5.072 21.352 5.510 1247 1HG LYS 161 2HG LYS 161 5.877 18.697 4.283 1248 2HG LYS 161 1HG LYS 161 6.990 20.014 4.648 1249 1HD LYS 161 2HD LYS 161 5.202 18.717 6.721 1250 2HD LYS 161 1HD LYS 161 6.872 18.230 6.433 1251 1HE LYS 161 2HE LYS 161 7.682 20.000 7.578 1252 2HE LYS 161 1HE LYS 161 6.622 21.123 6.729 1253 1HZ LYS 161 1HE LYS 161 5.166 19.469 8.538 1254 2HZ LYS 161 2HE LYS 161 5.231 21.163 8.438 1255 3HZ LYS 161 3HE LYS 161 6.396 20.318 9.339 1256 H ALA 162 HN ALA 162 2.635 21.781 6.485 1257 HA ALA 162 HA ALA 162 0.868 22.757 4.312 1258 1HB ALA 162 1HB ALA 162 -1.108 22.762 5.723 1259 2HB ALA 162 2HB ALA 162 -0.178 22.158 7.094 1260 3HB ALA 162 3HB ALA 162 -0.454 21.124 5.692 1261 AH51 NDP 168 AH51 NDP 168 -5.617 -1.938 -9.816 1262 AH52 NDP 168 AH52 NDP 168 -5.912 -3.211 -8.632 1263 AH4* NDP 168 AH4* NDP 168 -7.638 -4.150 -10.250 1264 AH3* NDP 168 AH3* NDP 168 -7.130 -1.521 -11.666 1265 AHO3 NDP 168 AHO3 NDP 168 -6.383 -3.488 -12.626 1266 AH2* NDP 168 AH2* NDP 168 -9.461 -1.386 -12.105 1267 AH1* NDP 168 AH1* NDP 168 -10.292 -2.187 -9.582 1268 AH8 NDP 168 AH8 NDP 168 -7.182 -0.032 -9.465 1269 AH61 NDP 168 AH61 NDP 168 -11.090 4.779 -9.147 1270 AH62 NDP 168 AH62 NDP 168 -9.434 4.265 -8.930 1271 AH2 NDP 168 AH2 NDP 168 -13.499 1.085 -9.950 1272 NH51 NDP 168 NH51 NDP 168 -1.479 -4.869 -9.427 1273 NH52 NDP 168 NH52 NDP 168 -1.337 -3.895 -7.958 1274 NH4* NDP 168 NH4* NDP 168 0.923 -5.403 -9.361 1275 NH3* NDP 168 NH3* NDP 168 -0.543 -6.006 -6.780 1276 NHO3 NDP 168 NHO3 NDP 168 -0.580 -8.022 -7.716 1277 NH2* NDP 168 NH2* NDP 168 1.529 -6.937 -5.984 1278 NHO2 NDP 168 NHO2 NDP 168 2.754 -7.946 -7.348 1279 NH1* NDP 168 NH1* NDP 168 3.123 -4.884 -6.966 1280 NH2 NDP 168 NH2 NDP 168 3.660 -3.550 -5.058 1281 NH71 NDP 168 NH71 NDP 168 5.053 -2.896 -4.348 1282 NH72 NDP 168 NH72 NDP 168 5.557 -2.097 -2.879 1283 NH41 NDP 168 NH41 NDP 168 0.577 -2.397 -2.827 1284 NH42 NDP 168 NH42 NDP 168 1.121 -3.902 -2.011 1285 NH5 NDP 168 NH5 NDP 168 -0.950 -4.291 -3.332 1286 NH6 NDP 168 NH6 NDP 168 -0.297 -5.333 -5.557 1287 H1 TRR 170 H1 TRR 170 4.916 -5.510 1.792 1288 1H2 TRR 170 1H2 TRR 170 5.191 -2.091 2.774 1289 2H2 TRR 170 2H2 TRR 170 5.995 -3.598 2.761 1290 1H4 TRR 170 1H4 TRR 170 0.046 -3.038 0.209 1291 2H4 TRR 170 2H4 TRR 170 0.814 -1.687 0.893 1292 H6 TRR 170 H6 TRR 170 3.070 -6.604 0.687 1293 1H7 TRR 170 1H7 TRR 170 0.677 -4.984 -1.068 1294 2H7 TRR 170 2H7 TRR 170 -0.161 -5.089 0.480 1295 H12 TRR 170 H12 TRR 170 1.280 -6.912 -2.215 1296 H16 TRR 170 H16 TRR 170 0.303 -7.138 1.977 1297 1H17 TRR 170 1H17 TRR 170 1.587 -7.771 -3.607 1298 2H17 TRR 170 2H17 TRR 170 0.980 -9.111 -4.557 1299 3H17 TRR 170 3H17 TRR 170 2.682 -9.028 -4.141 1300 1H18 TRR 170 1H18 TRR 170 2.378 -11.959 0.846 1301 2H18 TRR 170 2H18 TRR 170 2.988 -10.986 -0.485 1302 3H18 TRR 170 3H18 TRR 170 2.253 -12.551 -0.805 1303 1H19 TRR 170 1H19 TRR 170 -0.995 -8.935 3.401 1304 2H19 TRR 170 2H19 TRR 170 0.632 -8.278 3.444 1305 3H19 TRR 170 3H19 TRR 170 0.298 -9.843 4.164
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