NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
16755 | 2aqa | 6846 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H HIS 2 H HIS 2 10.108 20.281 25.785 2 HA HIS 2 HA HIS 2 12.477 21.507 24.534 3 1HB HIS 2 2HB HIS 2 13.569 21.184 26.820 4 2HB HIS 2 3HB HIS 2 12.382 22.478 26.687 5 HD1 HIS 2 1HD HIS 2 11.790 18.776 27.322 6 HD2 HIS 2 2HD HIS 2 11.195 22.472 29.125 7 HE1 HIS 2 1HE HIS 2 10.478 18.301 29.414 8 H LEU 3 H LEU 3 10.789 18.718 24.956 9 HA LEU 3 HA LEU 3 12.871 16.856 25.495 10 1HB LEU 3 2HB LEU 3 10.198 16.468 24.156 11 2HB LEU 3 3HB LEU 3 11.262 15.169 24.691 12 HG LEU 3 HG LEU 3 10.492 17.108 26.772 13 1HD1 LEU 3 1HD1 LEU 3 8.336 17.120 26.072 14 2HD1 LEU 3 2HD1 LEU 3 8.313 15.587 26.941 15 3HD1 LEU 3 3HD1 LEU 3 8.494 15.603 25.188 16 1HD2 LEU 3 1HD2 LEU 3 9.915 14.408 27.403 17 2HD2 LEU 3 2HD2 LEU 3 11.236 15.416 27.997 18 3HD2 LEU 3 3HD2 LEU 3 11.455 14.441 26.543 19 H MET 4 H MET 4 14.077 15.595 24.112 20 HA MET 4 HA MET 4 14.192 16.550 21.336 21 1HB MET 4 2HB MET 4 16.262 15.048 22.949 22 2HB MET 4 3HB MET 4 16.470 15.618 21.298 23 1HG MET 4 2HG MET 4 16.163 17.935 22.104 24 2HG MET 4 3HG MET 4 16.086 17.315 23.752 25 1HE MET 4 1HE MET 4 18.722 19.417 23.660 26 2HE MET 4 2HE MET 4 19.474 19.126 22.092 27 3HE MET 4 3HE MET 4 17.738 19.423 22.196 28 H TYR 5 H TYR 5 12.305 14.528 22.440 29 HA TYR 5 HA TYR 5 12.526 12.634 20.314 30 1HB TYR 5 2HB TYR 5 12.626 10.614 21.772 31 2HB TYR 5 3HB TYR 5 14.109 11.561 21.786 32 HD1 TYR 5 1HD TYR 5 14.566 13.072 23.754 33 HD2 TYR 5 2HD TYR 5 11.434 10.191 23.764 34 HE1 TYR 5 1HE TYR 5 14.468 13.195 26.208 35 HE2 TYR 5 2HE TYR 5 11.327 10.308 26.218 36 HH TYR 5 HH TYR 5 12.035 11.393 28.043 37 H THR 6 H THR 6 10.590 11.668 19.869 38 HA THR 6 HA THR 6 8.304 12.641 21.388 39 HB THR 6 HB THR 6 6.936 11.826 19.541 40 HG1 THR 6 1HG THR 6 7.724 10.196 18.451 41 1HG2 THR 6 1HG2 THR 6 7.980 13.178 17.683 42 2HG2 THR 6 2HG2 THR 6 9.376 13.404 18.737 43 3HG2 THR 6 3HG2 THR 6 7.797 14.023 19.219 44 H LEU 7 H LEU 7 6.890 11.385 22.507 45 HA LEU 7 HA LEU 7 7.752 8.662 23.088 46 1HB LEU 7 2HB LEU 7 5.641 10.396 24.362 47 2HB LEU 7 3HB LEU 7 6.083 8.779 24.906 48 HG LEU 7 HG LEU 7 7.788 11.264 24.995 49 1HD1 LEU 7 1HD1 LEU 7 6.477 11.413 26.858 50 2HD1 LEU 7 2HD1 LEU 7 7.775 10.397 27.483 51 3HD1 LEU 7 3HD1 LEU 7 6.251 9.667 26.978 52 1HD2 LEU 7 1HD2 LEU 7 9.078 9.256 26.395 53 2HD2 LEU 7 2HD2 LEU 7 9.549 9.912 24.827 54 3HD2 LEU 7 3HD2 LEU 7 8.541 8.466 24.912 55 H GLY 8 H GLY 8 6.142 6.924 23.241 56 1HA GLY 8 2HA GLY 8 4.311 7.061 20.957 57 2HA GLY 8 3HA GLY 8 4.876 5.594 21.743 58 HA PRO 9 HA PRO 9 0.518 6.588 23.127 59 1HB PRO 9 2HB PRO 9 -0.545 4.195 22.410 60 2HB PRO 9 3HB PRO 9 -0.449 5.572 21.307 61 1HG PRO 9 2HG PRO 9 1.346 3.186 21.521 62 2HG PRO 9 3HG PRO 9 0.706 3.977 20.069 63 1HD PRO 9 2HD PRO 9 3.227 4.397 20.966 64 2HD PRO 9 3HD PRO 9 2.288 5.653 20.133 65 H ASP 10 H ASP 10 2.931 4.240 23.722 66 HA ASP 10 HA ASP 10 1.527 3.293 26.128 67 1HB ASP 10 2HB ASP 10 2.128 1.407 24.850 68 2HB ASP 10 3HB ASP 10 3.705 2.077 24.444 69 H GLY 11 H GLY 11 4.209 5.119 24.979 70 1HA GLY 11 2HA GLY 11 5.121 6.712 26.631 71 2HA GLY 11 3HA GLY 11 5.193 5.363 27.756 72 H LYS 12 H LYS 12 6.023 4.631 24.521 73 HA LYS 12 HA LYS 12 8.753 4.101 25.305 74 1HB LYS 12 2HB LYS 12 7.020 2.887 23.567 75 2HB LYS 12 3HB LYS 12 8.050 3.794 22.467 76 1HG LYS 12 2HG LYS 12 8.982 1.626 22.696 77 2HG LYS 12 3HG LYS 12 10.026 2.743 23.578 78 1HD LYS 12 2HD LYS 12 9.233 2.004 25.663 79 2HD LYS 12 3HD LYS 12 7.828 1.214 24.944 80 1HE LYS 12 2HE LYS 12 10.678 0.359 24.464 81 2HE LYS 12 3HE LYS 12 9.634 -0.345 25.698 82 1HZ LYS 12 1HZ LYS 12 8.231 -0.370 23.290 83 2HZ LYS 12 2HZ LYS 12 8.822 -1.693 24.162 84 3HZ LYS 12 3HZ LYS 12 9.777 -0.974 22.965 85 H ARG 13 H ARG 13 10.496 5.299 24.852 86 HA ARG 13 HA ARG 13 10.161 7.910 23.730 87 1HB ARG 13 2HB ARG 13 12.781 6.549 24.344 88 2HB ARG 13 3HB ARG 13 12.449 8.275 24.289 89 1HG ARG 13 2HG ARG 13 11.000 8.035 26.263 90 2HG ARG 13 3HG ARG 13 11.415 6.322 26.333 91 1HD ARG 13 2HD ARG 13 13.707 6.819 26.768 92 2HD ARG 13 3HD ARG 13 13.457 8.532 26.437 93 HE ARG 13 HE ARG 13 11.776 8.047 28.501 94 1HH1 ARG 13 2HH1 ARG 13 15.163 7.439 27.975 95 2HH1 ARG 13 1HH1 ARG 13 15.583 7.585 29.650 96 1HH2 ARG 13 2HH2 ARG 13 12.315 8.243 30.708 97 2HH2 ARG 13 1HH2 ARG 13 13.962 8.041 31.204 98 H ILE 14 H ILE 14 10.979 8.734 21.817 99 HA ILE 14 HA ILE 14 12.240 6.890 19.934 100 HB ILE 14 HB ILE 14 9.738 8.444 19.265 101 1HG1 ILE 14 2HG1 ILE 14 10.195 5.455 19.345 102 2HG1 ILE 14 3HG1 ILE 14 9.381 6.371 20.608 103 1HG2 ILE 14 1HG2 ILE 14 10.445 6.569 17.260 104 2HG2 ILE 14 2HG2 ILE 14 10.357 8.325 17.139 105 3HG2 ILE 14 3HG2 ILE 14 11.867 7.549 17.614 106 1HD1 ILE 14 1HD1 ILE 14 7.543 5.749 19.485 107 2HD1 ILE 14 2HD1 ILE 14 7.945 7.129 18.463 108 3HD1 ILE 14 3HD1 ILE 14 8.418 5.503 17.974 109 H TYR 15 H TYR 15 14.073 7.937 19.500 110 HA TYR 15 HA TYR 15 14.459 10.709 19.671 111 1HB TYR 15 2HB TYR 15 16.008 8.449 18.462 112 2HB TYR 15 3HB TYR 15 16.511 10.106 18.145 113 HD1 TYR 15 1HD TYR 15 18.127 10.970 19.537 114 HD2 TYR 15 2HD TYR 15 15.480 8.015 21.074 115 HE1 TYR 15 1HE TYR 15 19.327 11.019 21.683 116 HE2 TYR 15 2HE TYR 15 16.671 8.057 23.224 117 HH TYR 15 HH TYR 15 19.675 9.402 23.635 118 H THR 16 H THR 16 13.018 11.908 18.501 119 HA THR 16 HA THR 16 13.368 11.833 15.589 120 HB THR 16 HB THR 16 10.865 12.408 15.425 121 HG1 THR 16 1HG THR 16 10.971 11.209 18.011 122 1HG2 THR 16 1HG2 THR 16 10.284 9.889 15.692 123 2HG2 THR 16 2HG2 THR 16 12.008 9.703 16.017 124 3HG2 THR 16 3HG2 THR 16 11.467 10.374 14.479 125 H LEU 17 H LEU 17 14.732 13.607 17.029 126 HA LEU 17 HA LEU 17 13.571 15.980 17.823 127 1HB LEU 17 2HB LEU 17 16.221 15.174 16.809 128 2HB LEU 17 3HB LEU 17 15.854 16.895 16.722 129 HG LEU 17 HG LEU 17 15.402 15.510 19.312 130 1HD1 LEU 17 1HD1 LEU 17 17.515 14.597 18.913 131 2HD1 LEU 17 2HD1 LEU 17 17.843 16.060 19.842 132 3HD1 LEU 17 3HD1 LEU 17 18.090 16.050 18.096 133 1HD2 LEU 17 1HD2 LEU 17 14.994 17.651 19.778 134 2HD2 LEU 17 2HD2 LEU 17 15.737 18.207 18.277 135 3HD2 LEU 17 3HD2 LEU 17 16.739 17.888 19.694 136 H LYS 18 H LYS 18 14.626 15.046 14.564 137 HA LYS 18 HA LYS 18 14.176 15.905 12.505 138 1HB LYS 18 2HB LYS 18 11.654 16.485 14.027 139 2HB LYS 18 3HB LYS 18 11.828 17.022 12.360 140 1HG LYS 18 2HG LYS 18 11.926 14.845 11.540 141 2HG LYS 18 3HG LYS 18 12.313 14.167 13.123 142 1HD LYS 18 2HD LYS 18 10.095 13.595 12.936 143 2HD LYS 18 3HD LYS 18 9.968 15.146 13.772 144 1HE LYS 18 2HE LYS 18 9.972 15.169 10.803 145 2HE LYS 18 3HE LYS 18 8.527 14.570 11.615 146 1HZ LYS 18 1HZ LYS 18 8.987 17.147 11.086 147 2HZ LYS 18 2HZ LYS 18 9.592 17.050 12.663 148 3HZ LYS 18 3HZ LYS 18 7.990 16.609 12.342 149 H LYS 19 H LYS 19 15.720 17.540 14.274 150 HA LYS 19 HA LYS 19 14.937 20.228 14.317 151 1HB LYS 19 2HB LYS 19 17.569 18.812 14.456 152 2HB LYS 19 3HB LYS 19 17.547 20.563 14.292 153 1HG LYS 19 2HG LYS 19 16.488 20.858 16.355 154 2HG LYS 19 3HG LYS 19 15.991 19.167 16.440 155 1HD LYS 19 2HD LYS 19 17.823 19.530 17.965 156 2HD LYS 19 3HD LYS 19 18.377 18.522 16.627 157 1HE LYS 19 2HE LYS 19 20.036 20.215 17.161 158 2HE LYS 19 3HE LYS 19 19.359 20.498 15.558 159 1HZ LYS 19 1HZ LYS 19 19.626 22.453 17.220 160 2HZ LYS 19 2HZ LYS 19 18.182 21.865 17.877 161 3HZ LYS 19 3HZ LYS 19 18.237 22.354 16.258 162 H VAL 20 H VAL 20 16.859 18.433 11.929 163 HA VAL 20 HA VAL 20 17.033 20.732 10.183 164 HB VAL 20 HB VAL 20 17.820 17.884 9.567 165 1HG1 VAL 20 1HG1 VAL 20 18.591 20.536 8.358 166 2HG1 VAL 20 2HG1 VAL 20 19.374 19.002 7.978 167 3HG1 VAL 20 3HG1 VAL 20 17.670 19.241 7.593 168 1HG2 VAL 20 1HG2 VAL 20 19.105 19.937 11.247 169 2HG2 VAL 20 2HG2 VAL 20 19.254 18.180 11.287 170 3HG2 VAL 20 3HG2 VAL 20 20.158 19.116 10.095 171 H THR 21 H THR 21 15.974 21.027 8.257 172 HA THR 21 HA THR 21 13.362 20.119 7.992 173 HB THR 21 HB THR 21 15.187 21.177 5.825 174 HG1 THR 21 1HG THR 21 14.874 22.998 6.840 175 1HG2 THR 21 1HG2 THR 21 12.173 20.972 5.899 176 2HG2 THR 21 2HG2 THR 21 13.250 20.014 4.883 177 3HG2 THR 21 3HG2 THR 21 13.123 21.755 4.637 178 H GLU 22 H GLU 22 15.869 19.363 5.582 179 HA GLU 22 HA GLU 22 14.559 16.777 5.142 180 1HB GLU 22 2HB GLU 22 15.842 16.727 3.026 181 2HB GLU 22 3HB GLU 22 14.798 18.136 3.154 182 1HG GLU 22 2HG GLU 22 16.604 19.578 3.545 183 2HG GLU 22 3HG GLU 22 17.700 18.242 3.894 184 H SER 23 H SER 23 15.740 14.844 5.067 185 HA SER 23 HA SER 23 18.464 14.954 6.171 186 1HB SER 23 2HB SER 23 16.308 13.021 7.059 187 2HB SER 23 3HB SER 23 17.967 13.077 7.654 188 HG SER 23 HG SER 23 17.478 14.730 8.876 189 H GLY 24 H GLY 24 18.945 14.666 3.849 190 1HA GLY 24 2HA GLY 24 19.202 11.824 3.261 191 2HA GLY 24 3HA GLY 24 18.292 12.774 2.095 192 H GLU 25 H GLU 25 20.826 11.317 1.785 193 HA GLU 25 HA GLU 25 22.899 13.295 1.576 194 1HB GLU 25 2HB GLU 25 23.276 10.836 2.010 195 2HB GLU 25 3HB GLU 25 22.851 10.547 0.328 196 1HG GLU 25 2HG GLU 25 24.712 12.143 -0.282 197 2HG GLU 25 3HG GLU 25 25.209 12.058 1.407 198 H ILE 26 H ILE 26 23.047 14.745 0.010 199 HA ILE 26 HA ILE 26 21.425 14.661 -2.325 200 HB ILE 26 HB ILE 26 23.812 16.435 -1.814 201 1HG1 ILE 26 2HG1 ILE 26 20.899 16.940 -1.170 202 2HG1 ILE 26 3HG1 ILE 26 22.133 16.530 0.016 203 1HG2 ILE 26 1HG2 ILE 26 23.125 16.472 -4.120 204 2HG2 ILE 26 2HG2 ILE 26 21.441 16.703 -3.654 205 3HG2 ILE 26 3HG2 ILE 26 22.623 17.976 -3.348 206 1HD1 ILE 26 1HD1 ILE 26 23.093 18.734 -1.456 207 2HD1 ILE 26 2HD1 ILE 26 21.421 19.077 -1.013 208 3HD1 ILE 26 3HD1 ILE 26 22.599 18.675 0.236 209 H THR 27 H THR 27 21.782 13.593 -4.144 210 HA THR 27 HA THR 27 24.185 12.155 -4.626 211 HB THR 27 HB THR 27 23.184 11.573 -6.803 212 HG1 THR 27 1HG THR 27 21.722 12.851 -7.627 213 1HG2 THR 27 1HG2 THR 27 21.733 11.278 -4.238 214 2HG2 THR 27 2HG2 THR 27 22.382 10.047 -5.322 215 3HG2 THR 27 3HG2 THR 27 20.853 10.840 -5.702 216 H LYS 28 H LYS 28 25.694 12.417 -6.322 217 HA LYS 28 HA LYS 28 26.481 15.116 -6.773 218 1HB LYS 28 2HB LYS 28 27.511 12.427 -7.532 219 2HB LYS 28 3HB LYS 28 28.069 13.806 -8.470 220 1HG LYS 28 2HG LYS 28 29.682 13.691 -6.855 221 2HG LYS 28 3HG LYS 28 28.557 14.834 -6.118 222 1HD LYS 28 2HD LYS 28 28.967 13.375 -4.373 223 2HD LYS 28 3HD LYS 28 27.495 12.698 -5.074 224 1HE LYS 28 2HE LYS 28 28.599 10.896 -5.985 225 2HE LYS 28 3HE LYS 28 30.142 11.747 -6.065 226 1HZ LYS 28 1HZ LYS 28 30.188 11.629 -3.591 227 2HZ LYS 28 2HZ LYS 28 30.299 10.127 -4.361 228 3HZ LYS 28 3HZ LYS 28 28.838 10.611 -3.655 229 H SER 29 H SER 29 26.303 16.386 -8.558 230 HA SER 29 HA SER 29 24.359 15.547 -10.555 231 1HB SER 29 2HB SER 29 24.375 17.914 -11.247 232 2HB SER 29 3HB SER 29 24.081 17.751 -9.516 233 HG SER 29 HG SER 29 25.836 19.276 -10.536 234 H ALA 30 H ALA 30 24.849 16.503 -12.847 235 HA ALA 30 HA ALA 30 26.014 16.218 -14.782 236 1HB ALA 30 1HB ALA 30 28.015 17.325 -14.912 237 2HB ALA 30 2HB ALA 30 27.383 17.986 -13.403 238 3HB ALA 30 3HB ALA 30 28.588 16.699 -13.366 239 H HIS 31 H HIS 31 25.417 13.840 -13.624 240 HA HIS 31 HA HIS 31 27.656 12.152 -13.187 241 1HB HIS 31 2HB HIS 31 24.756 11.874 -13.320 242 2HB HIS 31 3HB HIS 31 25.597 10.487 -14.007 243 HD1 HIS 31 1HD HIS 31 25.519 8.746 -12.246 244 HD2 HIS 31 2HD HIS 31 26.511 12.474 -10.702 245 HE1 HIS 31 1HE HIS 31 26.036 8.353 -9.817 246 HA PRO 32 HA PRO 32 28.960 11.034 -17.222 247 1HB PRO 32 2HB PRO 32 29.443 8.373 -16.969 248 2HB PRO 32 3HB PRO 32 30.473 9.611 -16.238 249 1HG PRO 32 2HG PRO 32 28.308 7.965 -14.985 250 2HG PRO 32 3HG PRO 32 29.909 8.383 -14.346 251 1HD PRO 32 2HD PRO 32 27.654 9.672 -13.583 252 2HD PRO 32 3HD PRO 32 29.232 10.480 -13.673 253 H ALA 33 H ALA 33 27.266 11.292 -18.629 254 HA ALA 33 HA ALA 33 25.162 9.293 -18.772 255 1HB ALA 33 1HB ALA 33 23.986 10.774 -20.100 256 2HB ALA 33 2HB ALA 33 24.912 11.860 -19.064 257 3HB ALA 33 3HB ALA 33 25.448 11.547 -20.714 258 H ARG 34 H ARG 34 24.648 8.138 -20.705 259 HA ARG 34 HA ARG 34 26.742 6.768 -21.869 260 1HB ARG 34 2HB ARG 34 24.363 6.049 -21.889 261 2HB ARG 34 3HB ARG 34 24.034 7.266 -23.115 262 1HG ARG 34 2HG ARG 34 25.218 6.127 -24.749 263 2HG ARG 34 3HG ARG 34 26.131 5.185 -23.569 264 1HD ARG 34 2HD ARG 34 23.880 4.159 -22.920 265 2HD ARG 34 3HD ARG 34 23.269 4.862 -24.418 266 HE ARG 34 HE ARG 34 25.641 3.268 -24.753 267 1HH1 ARG 34 2HH1 ARG 34 22.163 3.251 -24.613 268 2HH1 ARG 34 1HH1 ARG 34 22.002 1.792 -25.533 269 1HH2 ARG 34 2HH2 ARG 34 25.443 1.346 -25.966 270 2HH2 ARG 34 1HH2 ARG 34 23.869 0.708 -26.301 271 H PHE 35 H PHE 35 27.988 6.995 -23.663 272 HA PHE 35 HA PHE 35 28.023 9.632 -24.892 273 1HB PHE 35 2HB PHE 35 29.941 7.357 -24.684 274 2HB PHE 35 3HB PHE 35 30.108 8.455 -26.050 275 HD1 PHE 35 1HD PHE 35 31.900 9.842 -25.682 276 HD2 PHE 35 2HD PHE 35 29.236 9.012 -22.467 277 HE1 PHE 35 1HE PHE 35 33.130 11.426 -24.256 278 HE2 PHE 35 2HE PHE 35 30.461 10.594 -21.038 279 HZ PHE 35 HZ PHE 35 32.412 11.805 -21.932 280 H SER 36 H SER 36 26.912 10.001 -26.682 281 HA SER 36 HA SER 36 27.110 8.336 -28.977 282 1HB SER 36 2HB SER 36 25.494 6.956 -27.788 283 2HB SER 36 3HB SER 36 24.458 8.357 -27.516 284 HG SER 36 HG SER 36 24.130 8.485 -29.749 285 HA PRO 37 HA PRO 37 26.019 12.835 -29.551 286 1HB PRO 37 2HB PRO 37 28.168 13.417 -31.106 287 2HB PRO 37 3HB PRO 37 28.206 13.506 -29.340 288 1HG PRO 37 2HG PRO 37 29.186 11.330 -31.147 289 2HG PRO 37 3HG PRO 37 29.958 12.022 -29.709 290 1HD PRO 37 2HD PRO 37 28.618 9.669 -29.655 291 2HD PRO 37 3HD PRO 37 28.672 10.769 -28.263 292 H ASP 38 H ASP 38 27.214 10.371 -31.787 293 HA ASP 38 HA ASP 38 25.216 11.276 -33.743 294 1HB ASP 38 2HB ASP 38 27.791 11.839 -34.171 295 2HB ASP 38 3HB ASP 38 27.784 10.189 -34.785 296 H ASP 39 H ASP 39 25.238 9.486 -35.622 297 HA ASP 39 HA ASP 39 24.483 7.037 -34.273 298 1HB ASP 39 2HB ASP 39 24.308 7.825 -37.189 299 2HB ASP 39 3HB ASP 39 23.630 6.355 -36.492 300 H LYS 40 H LYS 40 27.134 8.249 -36.100 301 HA LYS 40 HA LYS 40 28.152 5.806 -37.101 302 1HB LYS 40 2HB LYS 40 30.133 7.008 -37.616 303 2HB LYS 40 3HB LYS 40 28.805 8.140 -37.835 304 1HG LYS 40 2HG LYS 40 30.168 9.493 -36.658 305 2HG LYS 40 3HG LYS 40 29.410 8.679 -35.287 306 1HD LYS 40 2HD LYS 40 31.395 6.958 -35.732 307 2HD LYS 40 3HD LYS 40 32.154 8.412 -36.385 308 1HE LYS 40 2HE LYS 40 31.575 9.564 -34.235 309 2HE LYS 40 3HE LYS 40 31.066 7.997 -33.605 310 1HZ LYS 40 1HZ LYS 40 33.687 9.068 -33.848 311 2HZ LYS 40 2HZ LYS 40 33.574 7.586 -34.654 312 3HZ LYS 40 3HZ LYS 40 33.167 7.690 -33.016 313 H TYR 41 H TYR 41 27.954 7.037 -33.959 314 HA TYR 41 HA TYR 41 30.270 6.222 -32.706 315 1HB TYR 41 2HB TYR 41 29.088 6.312 -30.686 316 2HB TYR 41 3HB TYR 41 28.189 7.401 -31.734 317 HD1 TYR 41 1HD TYR 41 26.229 6.195 -33.093 318 HD2 TYR 41 2HD TYR 41 27.883 4.802 -29.429 319 HE1 TYR 41 1HE TYR 41 24.171 4.922 -32.654 320 HE2 TYR 41 2HE TYR 41 25.830 3.524 -28.980 321 HH TYR 41 HH TYR 41 23.388 3.665 -29.674 322 H SER 42 H SER 42 27.629 4.290 -33.911 323 HA SER 42 HA SER 42 28.275 1.894 -32.529 324 1HB SER 42 2HB SER 42 26.877 0.828 -34.381 325 2HB SER 42 3HB SER 42 26.073 2.053 -33.400 326 HG SER 42 HG SER 42 26.016 3.378 -35.067 327 H ARG 43 H ARG 43 29.773 0.394 -32.931 328 HA ARG 43 HA ARG 43 31.797 0.848 -34.865 329 1HB ARG 43 2HB ARG 43 32.732 -1.280 -34.101 330 2HB ARG 43 3HB ARG 43 32.254 -0.276 -32.738 331 1HG ARG 43 2HG ARG 43 30.131 -1.593 -32.625 332 2HG ARG 43 3HG ARG 43 30.816 -2.678 -33.836 333 1HD ARG 43 2HD ARG 43 32.311 -2.048 -31.318 334 2HD ARG 43 3HD ARG 43 31.048 -3.277 -31.329 335 HE ARG 43 HE ARG 43 32.863 -3.730 -33.444 336 1HH1 ARG 43 2HH1 ARG 43 32.597 -3.965 -29.982 337 2HH1 ARG 43 1HH1 ARG 43 33.744 -5.257 -29.850 338 1HH2 ARG 43 2HH2 ARG 43 34.375 -5.431 -33.285 339 2HH2 ARG 43 1HH2 ARG 43 34.756 -6.089 -31.730 340 H GLN 44 H GLN 44 28.843 -0.965 -34.870 341 HA GLN 44 HA GLN 44 29.431 -2.765 -36.961 342 1HB GLN 44 2HB GLN 44 27.419 -2.670 -35.285 343 2HB GLN 44 3HB GLN 44 26.670 -1.683 -36.534 344 1HG GLN 44 2HG GLN 44 27.848 -4.351 -37.194 345 2HG GLN 44 3HG GLN 44 26.229 -4.216 -36.509 346 1HE2 GLN 44 1HE2 GLN 44 25.124 -2.130 -37.689 347 2HE2 GLN 44 2HE2 GLN 44 25.057 -2.324 -39.404 348 H ARG 45 H ARG 45 28.032 0.486 -36.940 349 HA ARG 45 HA ARG 45 27.374 0.642 -39.657 350 1HB ARG 45 2HB ARG 45 26.542 2.277 -38.084 351 2HB ARG 45 3HB ARG 45 28.176 2.809 -37.711 352 1HG ARG 45 2HG ARG 45 27.196 4.429 -39.141 353 2HG ARG 45 3HG ARG 45 28.396 3.546 -40.085 354 1HD ARG 45 2HD ARG 45 25.516 2.720 -40.089 355 2HD ARG 45 3HD ARG 45 26.085 4.021 -41.134 356 HE ARG 45 HE ARG 45 27.740 1.759 -41.439 357 1HH1 ARG 45 2HH1 ARG 45 24.539 2.898 -42.199 358 2HH1 ARG 45 1HH1 ARG 45 24.382 1.910 -43.614 359 1HH2 ARG 45 2HH2 ARG 45 27.545 0.454 -43.298 360 2HH2 ARG 45 1HH2 ARG 45 26.092 0.519 -44.238 361 H VAL 46 H VAL 46 30.410 1.092 -37.976 362 HA VAL 46 HA VAL 46 31.782 2.255 -40.209 363 HB VAL 46 HB VAL 46 32.893 0.979 -37.705 364 1HG1 VAL 46 1HG1 VAL 46 34.204 2.629 -39.858 365 2HG1 VAL 46 2HG1 VAL 46 34.930 2.314 -38.281 366 3HG1 VAL 46 3HG1 VAL 46 34.593 0.977 -39.380 367 1HG2 VAL 46 1HG2 VAL 46 33.277 3.409 -37.089 368 2HG2 VAL 46 2HG2 VAL 46 32.180 3.817 -38.408 369 3HG2 VAL 46 3HG2 VAL 46 31.606 2.847 -37.051 370 H THR 47 H THR 47 31.536 -0.977 -38.801 371 HA THR 47 HA THR 47 33.477 -2.271 -40.326 372 HB THR 47 HB THR 47 30.929 -3.690 -39.650 373 HG1 THR 47 1HG THR 47 32.913 -2.959 -37.738 374 1HG2 THR 47 1HG2 THR 47 32.853 -4.869 -40.696 375 2HG2 THR 47 2HG2 THR 47 32.423 -5.506 -39.108 376 3HG2 THR 47 3HG2 THR 47 33.827 -4.455 -39.286 377 H LEU 48 H LEU 48 33.574 -3.010 -42.366 378 HA LEU 48 HA LEU 48 31.915 -2.044 -44.367 379 1HB LEU 48 2HB LEU 48 33.942 -4.208 -44.196 380 2HB LEU 48 3HB LEU 48 32.907 -4.156 -45.622 381 HG LEU 48 HG LEU 48 35.056 -3.052 -46.008 382 1HD1 LEU 48 1HD1 LEU 48 34.112 -1.516 -47.335 383 2HD1 LEU 48 2HD1 LEU 48 33.301 -0.708 -45.994 384 3HD1 LEU 48 3HD1 LEU 48 32.587 -2.150 -46.716 385 1HD2 LEU 48 1HD2 LEU 48 35.573 -2.301 -43.778 386 2HD2 LEU 48 2HD2 LEU 48 34.174 -1.226 -43.774 387 3HD2 LEU 48 3HD2 LEU 48 35.528 -0.909 -44.860 388 H LYS 49 H LYS 49 30.827 -3.630 -46.010 389 HA LYS 49 HA LYS 49 28.469 -4.566 -44.879 390 1HB LYS 49 2HB LYS 49 28.109 -5.728 -47.053 391 2HB LYS 49 3HB LYS 49 28.574 -4.041 -47.225 392 1HG LYS 49 2HG LYS 49 30.938 -4.855 -47.571 393 2HG LYS 49 3HG LYS 49 30.262 -6.481 -47.692 394 1HD LYS 49 2HD LYS 49 30.272 -5.886 -49.903 395 2HD LYS 49 3HD LYS 49 28.667 -5.314 -49.441 396 1HE LYS 49 2HE LYS 49 31.026 -3.492 -49.219 397 2HE LYS 49 3HE LYS 49 30.268 -3.761 -50.787 398 1HZ LYS 49 1HZ LYS 49 29.140 -1.939 -49.983 399 2HZ LYS 49 2HZ LYS 49 29.143 -2.489 -48.383 400 3HZ LYS 49 3HZ LYS 49 28.111 -3.200 -49.520 401 H LYS 50 H LYS 50 28.060 -6.266 -43.644 402 HA LYS 50 HA LYS 50 29.932 -8.528 -43.679 403 1HB LYS 50 2HB LYS 50 29.305 -7.211 -41.534 404 2HB LYS 50 3HB LYS 50 27.791 -8.102 -41.613 405 1HG LYS 50 2HG LYS 50 28.884 -10.175 -41.329 406 2HG LYS 50 3HG LYS 50 30.472 -9.458 -41.614 407 1HD LYS 50 2HD LYS 50 28.728 -8.614 -39.315 408 2HD LYS 50 3HD LYS 50 29.835 -9.983 -39.195 409 1HE LYS 50 2HE LYS 50 30.897 -7.409 -40.236 410 2HE LYS 50 3HE LYS 50 30.559 -7.527 -38.510 411 1HZ LYS 50 1HZ LYS 50 32.519 -8.510 -38.308 412 2HZ LYS 50 2HZ LYS 50 32.731 -8.605 -39.984 413 3HZ LYS 50 3HZ LYS 50 31.909 -9.836 -39.163 414 H ARG 51 H ARG 51 27.767 -8.058 -45.649 415 HA ARG 51 HA ARG 51 25.929 -10.258 -45.062 416 1HB ARG 51 2HB ARG 51 24.741 -9.480 -47.111 417 2HB ARG 51 3HB ARG 51 24.859 -8.256 -45.856 418 1HG ARG 51 2HG ARG 51 26.558 -7.090 -47.032 419 2HG ARG 51 3HG ARG 51 26.754 -8.413 -48.183 420 1HD ARG 51 2HD ARG 51 24.155 -6.941 -47.867 421 2HD ARG 51 3HD ARG 51 25.426 -6.371 -48.948 422 HE ARG 51 HE ARG 51 24.813 -9.100 -49.436 423 1HH1 ARG 51 2HH1 ARG 51 23.648 -5.863 -49.966 424 2HH1 ARG 51 1HH1 ARG 51 22.779 -6.272 -51.408 425 1HH2 ARG 51 2HH2 ARG 51 23.673 -9.652 -51.333 426 2HH2 ARG 51 1HH2 ARG 51 22.794 -8.428 -52.184 427 H PHE 52 H PHE 52 28.620 -9.406 -47.086 428 HA PHE 52 HA PHE 52 29.792 -10.536 -48.681 429 1HB PHE 52 2HB PHE 52 28.760 -13.000 -47.268 430 2HB PHE 52 3HB PHE 52 30.229 -12.863 -48.228 431 HD1 PHE 52 1HD PHE 52 31.417 -10.397 -47.237 432 HD2 PHE 52 2HD PHE 52 29.437 -13.516 -45.122 433 HE1 PHE 52 1HE PHE 52 32.689 -9.825 -45.210 434 HE2 PHE 52 2HE PHE 52 30.705 -12.949 -43.092 435 HZ PHE 52 HZ PHE 52 32.333 -11.101 -43.134 436 H GLY 53 H GLY 53 27.366 -9.715 -49.630 437 1HA GLY 53 2HA GLY 53 26.017 -11.945 -50.904 438 2HA GLY 53 3HA GLY 53 25.605 -10.244 -51.062 439 H LEU 54 H LEU 54 28.386 -12.340 -51.844 440 HA LEU 54 HA LEU 54 28.954 -10.791 -54.211 441 1HB LEU 54 2HB LEU 54 30.218 -13.065 -52.780 442 2HB LEU 54 3HB LEU 54 30.597 -12.855 -54.488 443 HG LEU 54 HG LEU 54 30.996 -10.718 -52.399 444 1HD1 LEU 54 1HD1 LEU 54 32.830 -11.770 -51.742 445 2HD1 LEU 54 2HD1 LEU 54 33.450 -11.695 -53.391 446 3HD1 LEU 54 3HD1 LEU 54 32.506 -13.089 -52.868 447 1HD2 LEU 54 1HD2 LEU 54 32.532 -9.838 -54.209 448 2HD2 LEU 54 2HD2 LEU 54 30.801 -9.720 -54.527 449 3HD2 LEU 54 3HD2 LEU 54 31.755 -10.991 -55.295 450 H VAL 55 H VAL 55 29.322 -11.953 -56.319 451 HA VAL 55 HA VAL 55 27.390 -14.123 -56.750 452 HB VAL 55 HB VAL 55 27.624 -11.704 -58.545 453 1HG1 VAL 55 1HG1 VAL 55 26.735 -14.303 -59.084 454 2HG1 VAL 55 2HG1 VAL 55 25.277 -13.322 -58.913 455 3HG1 VAL 55 3HG1 VAL 55 26.517 -12.865 -60.081 456 1HG2 VAL 55 1HG2 VAL 55 25.158 -11.468 -57.758 457 2HG2 VAL 55 2HG2 VAL 55 25.694 -12.423 -56.376 458 3HG2 VAL 55 3HG2 VAL 55 26.459 -10.873 -56.726 459 HA PRO 56 HA PRO 56 31.531 -14.961 -58.704 460 1HB PRO 56 2HB PRO 56 31.751 -17.483 -57.725 461 2HB PRO 56 3HB PRO 56 32.292 -16.055 -56.834 462 1HG PRO 56 2HG PRO 56 29.752 -17.615 -56.552 463 2HG PRO 56 3HG PRO 56 30.810 -16.961 -55.287 464 1HD PRO 56 2HD PRO 56 28.514 -15.739 -56.042 465 2HD PRO 56 3HD PRO 56 29.936 -14.836 -55.478 466 H GLY 57 H GLY 57 31.777 -15.958 -60.642 467 1HA GLY 57 2HA GLY 57 30.531 -18.296 -61.504 468 2HA GLY 57 3HA GLY 57 29.503 -16.960 -61.997 469 H GLN 58 H GLN 58 29.789 -16.874 -64.147 470 HA GLN 58 HA GLN 58 32.350 -17.285 -65.374 471 1HB GLN 58 2HB GLN 58 29.593 -17.020 -66.236 472 2HB GLN 58 3HB GLN 58 30.679 -16.095 -67.266 473 1HG GLN 58 2HG GLN 58 30.888 -19.030 -66.634 474 2HG GLN 58 3HG GLN 58 30.343 -18.320 -68.152 475 1HE2 GLN 58 1HE2 GLN 58 32.825 -19.863 -66.847 476 2HE2 GLN 58 2HE2 GLN 58 34.143 -19.178 -67.731 Start of MODEL 2 1 1H HIS 2 H HIS 2 12.135 20.432 27.692 2 HA HIS 2 HA HIS 2 14.270 21.005 25.742 3 1HB HIS 2 2HB HIS 2 14.578 19.705 28.456 4 2HB HIS 2 3HB HIS 2 15.875 20.032 27.310 5 HD1 HIS 2 1HD HIS 2 17.115 22.121 27.742 6 HD2 HIS 2 2HD HIS 2 13.259 22.272 29.281 7 HE1 HIS 2 1HE HIS 2 16.953 24.331 28.933 8 H LEU 3 H LEU 3 11.834 19.319 25.525 9 HA LEU 3 HA LEU 3 12.690 16.588 25.625 10 1HB LEU 3 2HB LEU 3 10.341 17.805 24.181 11 2HB LEU 3 3HB LEU 3 10.580 16.093 24.523 12 HG LEU 3 HG LEU 3 10.638 17.028 27.026 13 1HD1 LEU 3 1HD1 LEU 3 8.417 18.693 26.452 14 2HD1 LEU 3 2HD1 LEU 3 9.790 19.269 25.507 15 3HD1 LEU 3 3HD1 LEU 3 9.929 19.112 27.259 16 1HD2 LEU 3 1HD2 LEU 3 7.895 16.806 26.003 17 2HD2 LEU 3 2HD2 LEU 3 8.726 15.872 27.248 18 3HD2 LEU 3 3HD2 LEU 3 8.971 15.485 25.544 19 H MET 4 H MET 4 13.904 15.559 24.191 20 HA MET 4 HA MET 4 14.032 16.618 21.443 21 1HB MET 4 2HB MET 4 16.111 16.618 23.160 22 2HB MET 4 3HB MET 4 16.308 15.017 22.458 23 1HG MET 4 2HG MET 4 17.598 16.271 21.054 24 2HG MET 4 3HG MET 4 16.057 16.290 20.198 25 1HE MET 4 1HE MET 4 18.922 18.071 20.940 26 2HE MET 4 2HE MET 4 18.533 19.766 21.230 27 3HE MET 4 3HE MET 4 18.469 18.607 22.558 28 H TYR 5 H TYR 5 12.247 14.569 22.566 29 HA TYR 5 HA TYR 5 12.568 12.609 20.512 30 1HB TYR 5 2HB TYR 5 12.866 10.650 21.891 31 2HB TYR 5 3HB TYR 5 14.175 11.777 22.228 32 HD1 TYR 5 1HD TYR 5 11.679 9.725 23.656 33 HD2 TYR 5 2HD TYR 5 13.803 13.361 24.277 34 HE1 TYR 5 1HE TYR 5 11.136 9.626 26.052 35 HE2 TYR 5 2HE TYR 5 13.266 13.270 26.676 36 HH TYR 5 HH TYR 5 12.673 11.268 28.355 37 H THR 6 H THR 6 10.623 11.863 19.934 38 HA THR 6 HA THR 6 8.308 12.700 21.453 39 HB THR 6 HB THR 6 7.021 11.676 19.554 40 HG1 THR 6 1HG THR 6 8.077 10.407 18.245 41 1HG2 THR 6 1HG2 THR 6 8.525 14.041 19.637 42 2HG2 THR 6 2HG2 THR 6 7.137 13.691 18.606 43 3HG2 THR 6 3HG2 THR 6 8.770 13.376 18.022 44 H LEU 7 H LEU 7 6.816 11.393 22.448 45 HA LEU 7 HA LEU 7 7.739 8.701 23.097 46 1HB LEU 7 2HB LEU 7 5.531 10.387 24.267 47 2HB LEU 7 3HB LEU 7 5.977 8.778 24.832 48 HG LEU 7 HG LEU 7 7.610 11.304 25.014 49 1HD1 LEU 7 1HD1 LEU 7 5.687 10.656 26.657 50 2HD1 LEU 7 2HD1 LEU 7 7.229 11.246 27.278 51 3HD1 LEU 7 3HD1 LEU 7 6.878 9.518 27.287 52 1HD2 LEU 7 1HD2 LEU 7 9.353 9.897 24.729 53 2HD2 LEU 7 2HD2 LEU 7 8.404 8.464 25.124 54 3HD2 LEU 7 3HD2 LEU 7 9.024 9.496 26.414 55 H GLY 8 H GLY 8 6.006 6.993 23.336 56 1HA GLY 8 2HA GLY 8 4.334 7.050 20.915 57 2HA GLY 8 3HA GLY 8 4.896 5.599 21.732 58 HA PRO 9 HA PRO 9 0.470 6.381 22.924 59 1HB PRO 9 2HB PRO 9 -0.370 3.849 22.417 60 2HB PRO 9 3HB PRO 9 -0.325 5.112 21.180 61 1HG PRO 9 2HG PRO 9 1.635 2.914 21.714 62 2HG PRO 9 3HG PRO 9 1.008 3.501 20.163 63 1HD PRO 9 2HD PRO 9 3.441 4.213 21.115 64 2HD PRO 9 3HD PRO 9 2.452 5.299 20.118 65 H ASP 10 H ASP 10 2.942 4.108 23.769 66 HA ASP 10 HA ASP 10 1.542 3.451 26.271 67 1HB ASP 10 2HB ASP 10 2.454 1.633 24.645 68 2HB ASP 10 3HB ASP 10 4.024 2.053 25.324 69 H GLY 11 H GLY 11 4.276 5.071 24.921 70 1HA GLY 11 2HA GLY 11 5.184 6.843 26.407 71 2HA GLY 11 3HA GLY 11 5.269 5.606 27.654 72 H LYS 12 H LYS 12 6.056 4.577 24.489 73 HA LYS 12 HA LYS 12 8.780 4.065 25.280 74 1HB LYS 12 2HB LYS 12 7.266 3.521 22.724 75 2HB LYS 12 3HB LYS 12 8.945 3.063 22.975 76 1HG LYS 12 2HG LYS 12 8.155 1.758 24.988 77 2HG LYS 12 3HG LYS 12 6.512 2.038 24.408 78 1HD LYS 12 2HD LYS 12 6.946 0.021 23.415 79 2HD LYS 12 3HD LYS 12 7.522 1.111 22.151 80 1HE LYS 12 2HE LYS 12 9.382 0.135 24.285 81 2HE LYS 12 3HE LYS 12 9.008 -0.882 22.894 82 1HZ LYS 12 1HZ LYS 12 10.801 0.226 22.092 83 2HZ LYS 12 2HZ LYS 12 10.526 1.613 23.020 84 3HZ LYS 12 3HZ LYS 12 9.607 1.332 21.628 85 H ARG 13 H ARG 13 10.358 5.499 25.086 86 HA ARG 13 HA ARG 13 10.143 7.961 23.787 87 1HB ARG 13 2HB ARG 13 12.665 8.016 24.017 88 2HB ARG 13 3HB ARG 13 11.764 7.751 25.504 89 1HG ARG 13 2HG ARG 13 12.314 5.213 24.395 90 2HG ARG 13 3HG ARG 13 13.807 6.153 24.342 91 1HD ARG 13 2HD ARG 13 14.069 5.548 26.477 92 2HD ARG 13 3HD ARG 13 12.816 6.737 26.832 93 HE ARG 13 HE ARG 13 11.448 4.451 26.230 94 1HH1 ARG 13 2HH1 ARG 13 13.925 5.317 28.518 95 2HH1 ARG 13 1HH1 ARG 13 13.411 4.167 29.707 96 1HH2 ARG 13 2HH2 ARG 13 10.762 2.933 27.788 97 2HH2 ARG 13 1HH2 ARG 13 11.612 2.811 29.291 98 H ILE 14 H ILE 14 11.040 8.763 21.867 99 HA ILE 14 HA ILE 14 12.157 6.873 19.955 100 HB ILE 14 HB ILE 14 9.655 8.456 19.360 101 1HG1 ILE 14 2HG1 ILE 14 10.129 5.468 19.454 102 2HG1 ILE 14 3HG1 ILE 14 9.271 6.400 20.675 103 1HG2 ILE 14 1HG2 ILE 14 10.264 6.619 17.305 104 2HG2 ILE 14 2HG2 ILE 14 10.238 8.379 17.222 105 3HG2 ILE 14 3HG2 ILE 14 11.731 7.538 17.637 106 1HD1 ILE 14 1HD1 ILE 14 7.494 5.657 19.500 107 2HD1 ILE 14 2HD1 ILE 14 7.839 7.101 18.547 108 3HD1 ILE 14 3HD1 ILE 14 8.403 5.524 17.995 109 H TYR 15 H TYR 15 13.980 7.864 19.395 110 HA TYR 15 HA TYR 15 14.343 10.681 19.490 111 1HB TYR 15 2HB TYR 15 16.066 8.612 18.112 112 2HB TYR 15 3HB TYR 15 16.552 10.242 18.567 113 HD1 TYR 15 1HD TYR 15 17.428 7.205 19.371 114 HD2 TYR 15 2HD TYR 15 15.460 10.450 21.294 115 HE1 TYR 15 1HE TYR 15 18.186 6.363 21.553 116 HE2 TYR 15 2HE TYR 15 16.213 9.617 23.482 117 HH TYR 15 HH TYR 15 16.951 7.545 24.508 118 H THR 16 H THR 16 12.661 11.490 18.155 119 HA THR 16 HA THR 16 13.417 11.597 15.340 120 HB THR 16 HB THR 16 10.528 11.107 16.025 121 HG1 THR 16 1HG THR 16 12.413 9.123 15.224 122 1HG2 THR 16 1HG2 THR 16 11.058 10.081 13.537 123 2HG2 THR 16 2HG2 THR 16 12.130 11.479 13.605 124 3HG2 THR 16 3HG2 THR 16 10.397 11.684 13.858 125 H LEU 17 H LEU 17 13.533 13.474 17.549 126 HA LEU 17 HA LEU 17 11.493 15.325 17.669 127 1HB LEU 17 2HB LEU 17 13.791 15.196 18.885 128 2HB LEU 17 3HB LEU 17 14.340 16.231 17.570 129 HG LEU 17 HG LEU 17 13.773 17.505 19.587 130 1HD1 LEU 17 1HD1 LEU 17 11.626 18.249 17.687 131 2HD1 LEU 17 2HD1 LEU 17 13.278 18.198 17.073 132 3HD1 LEU 17 3HD1 LEU 17 12.876 19.243 18.436 133 1HD2 LEU 17 1HD2 LEU 17 11.700 17.505 20.594 134 2HD2 LEU 17 2HD2 LEU 17 11.874 15.808 20.144 135 3HD2 LEU 17 3HD2 LEU 17 10.884 16.886 19.158 136 H LYS 18 H LYS 18 14.232 15.274 15.398 137 HA LYS 18 HA LYS 18 13.681 17.565 13.963 138 1HB LYS 18 2HB LYS 18 14.717 14.954 12.843 139 2HB LYS 18 3HB LYS 18 14.902 16.541 12.106 140 1HG LYS 18 2HG LYS 18 16.320 17.271 13.897 141 2HG LYS 18 3HG LYS 18 16.024 15.780 14.794 142 1HD LYS 18 2HD LYS 18 17.154 15.631 12.033 143 2HD LYS 18 3HD LYS 18 18.209 16.068 13.378 144 1HE LYS 18 2HE LYS 18 16.437 13.678 13.617 145 2HE LYS 18 3HE LYS 18 17.919 13.564 12.670 146 1HZ LYS 18 1HZ LYS 18 17.570 13.795 15.540 147 2HZ LYS 18 2HZ LYS 18 18.826 14.722 14.890 148 3HZ LYS 18 3HZ LYS 18 18.803 13.048 14.654 149 H LYS 19 H LYS 19 12.415 18.089 12.211 150 HA LYS 19 HA LYS 19 10.625 18.042 10.809 151 1HB LYS 19 2HB LYS 19 11.954 15.876 10.120 152 2HB LYS 19 3HB LYS 19 10.581 15.051 10.844 153 1HG LYS 19 2HG LYS 19 9.139 16.523 9.322 154 2HG LYS 19 3HG LYS 19 10.640 16.853 8.453 155 1HD LYS 19 2HD LYS 19 9.697 14.056 9.033 156 2HD LYS 19 3HD LYS 19 9.200 14.939 7.587 157 1HE LYS 19 2HE LYS 19 11.737 15.318 7.244 158 2HE LYS 19 3HE LYS 19 11.927 13.983 8.380 159 1HZ LYS 19 1HZ LYS 19 11.363 12.514 6.828 160 2HZ LYS 19 2HZ LYS 19 11.563 13.752 5.695 161 3HZ LYS 19 3HZ LYS 19 10.026 13.415 6.315 162 H VAL 20 H VAL 20 10.006 18.394 13.426 163 HA VAL 20 HA VAL 20 7.374 17.130 13.581 164 HB VAL 20 HB VAL 20 9.267 17.221 15.935 165 1HG1 VAL 20 1HG1 VAL 20 6.372 16.613 15.639 166 2HG1 VAL 20 2HG1 VAL 20 7.311 15.668 16.797 167 3HG1 VAL 20 3HG1 VAL 20 7.230 17.423 16.949 168 1HG2 VAL 20 1HG2 VAL 20 9.817 15.488 14.241 169 2HG2 VAL 20 2HG2 VAL 20 9.344 14.821 15.803 170 3HG2 VAL 20 3HG2 VAL 20 8.202 14.817 14.460 171 H THR 21 H THR 21 5.803 18.382 14.548 172 HA THR 21 HA THR 21 6.640 21.068 15.431 173 HB THR 21 HB THR 21 5.620 21.199 13.201 174 HG1 THR 21 1HG THR 21 3.776 22.606 13.939 175 1HG2 THR 21 1HG2 THR 21 4.136 19.135 13.673 176 2HG2 THR 21 2HG2 THR 21 3.476 20.439 12.688 177 3HG2 THR 21 3HG2 THR 21 3.016 20.296 14.384 178 H GLU 22 H GLU 22 5.088 22.156 16.854 179 HA GLU 22 HA GLU 22 3.853 20.227 18.679 180 1HB GLU 22 2HB GLU 22 5.560 22.137 19.318 181 2HB GLU 22 3HB GLU 22 4.110 23.131 19.326 182 1HG GLU 22 2HG GLU 22 3.150 21.280 20.860 183 2HG GLU 22 3HG GLU 22 4.841 20.845 21.099 184 H SER 23 H SER 23 2.637 21.121 16.136 185 HA SER 23 HA SER 23 0.634 21.819 15.300 186 1HB SER 23 2HB SER 23 0.064 20.030 17.160 187 2HB SER 23 3HB SER 23 -0.644 21.424 17.976 188 HG SER 23 HG SER 23 -2.295 21.033 16.740 189 H GLY 24 H GLY 24 2.343 23.845 16.466 190 1HA GLY 24 2HA GLY 24 0.318 25.766 17.431 191 2HA GLY 24 3HA GLY 24 2.031 25.855 17.815 192 H GLU 25 H GLU 25 1.208 24.988 14.594 193 HA GLU 25 HA GLU 25 2.491 27.329 13.560 194 1HB GLU 25 2HB GLU 25 2.806 25.280 12.370 195 2HB GLU 25 3HB GLU 25 1.073 25.017 12.239 196 1HG GLU 25 2HG GLU 25 0.895 26.970 10.772 197 2HG GLU 25 3HG GLU 25 2.639 27.201 10.884 198 H ILE 26 H ILE 26 -0.836 26.137 13.685 199 HA ILE 26 HA ILE 26 -1.837 28.498 12.323 200 HB ILE 26 HB ILE 26 -3.342 26.192 13.567 201 1HG1 ILE 26 2HG1 ILE 26 -2.823 26.755 10.644 202 2HG1 ILE 26 3HG1 ILE 26 -1.840 25.658 11.608 203 1HG2 ILE 26 1HG2 ILE 26 -4.948 27.341 11.649 204 2HG2 ILE 26 2HG2 ILE 26 -5.102 27.552 13.392 205 3HG2 ILE 26 3HG2 ILE 26 -4.202 28.731 12.438 206 1HD1 ILE 26 1HD1 ILE 26 -3.411 24.366 10.381 207 2HD1 ILE 26 2HD1 ILE 26 -3.907 24.347 12.075 208 3HD1 ILE 26 3HD1 ILE 26 -4.751 25.378 10.919 209 H THR 27 H THR 27 -2.714 30.241 13.265 210 HA THR 27 HA THR 27 -3.106 30.171 16.187 211 HB THR 27 HB THR 27 -2.652 32.713 16.000 212 HG1 THR 27 1HG THR 27 -1.163 33.157 14.245 213 1HG2 THR 27 1HG2 THR 27 -0.436 32.379 16.618 214 2HG2 THR 27 2HG2 THR 27 -0.216 31.049 15.481 215 3HG2 THR 27 3HG2 THR 27 -1.164 30.808 16.949 216 H LYS 28 H LYS 28 -4.512 32.146 16.878 217 HA LYS 28 HA LYS 28 -6.868 32.193 15.112 218 1HB LYS 28 2HB LYS 28 -8.094 32.776 17.278 219 2HB LYS 28 3HB LYS 28 -7.513 31.126 17.106 220 1HG LYS 28 2HG LYS 28 -5.735 33.085 18.448 221 2HG LYS 28 3HG LYS 28 -7.158 32.515 19.323 222 1HD LYS 28 2HD LYS 28 -6.378 30.373 19.475 223 2HD LYS 28 3HD LYS 28 -5.456 30.487 17.973 224 1HE LYS 28 2HE LYS 28 -3.792 30.438 19.581 225 2HE LYS 28 3HE LYS 28 -3.988 32.165 19.290 226 1HZ LYS 28 1HZ LYS 28 -4.652 30.593 21.649 227 2HZ LYS 28 2HZ LYS 28 -5.726 31.838 21.251 228 3HZ LYS 28 3HZ LYS 28 -4.094 32.186 21.531 229 H SER 29 H SER 29 -8.312 34.194 15.686 230 HA SER 29 HA SER 29 -6.634 36.527 15.221 231 1HB SER 29 2HB SER 29 -8.730 35.935 13.860 232 2HB SER 29 3HB SER 29 -9.650 36.491 15.257 233 HG SER 29 HG SER 29 -9.424 38.267 14.015 234 H ALA 30 H ALA 30 -6.928 38.512 16.378 235 HA ALA 30 HA ALA 30 -7.208 38.095 19.211 236 1HB ALA 30 1HB ALA 30 -6.850 40.769 17.904 237 2HB ALA 30 2HB ALA 30 -6.294 40.224 19.486 238 3HB ALA 30 3HB ALA 30 -5.520 39.616 18.023 239 H HIS 31 H HIS 31 -8.546 39.503 20.577 240 HA HIS 31 HA HIS 31 -10.585 40.247 21.260 241 1HB HIS 31 2HB HIS 31 -10.907 41.310 18.452 242 2HB HIS 31 3HB HIS 31 -11.668 41.914 19.920 243 HD1 HIS 31 1HD HIS 31 -9.164 42.870 17.692 244 HD2 HIS 31 2HD HIS 31 -9.344 42.678 21.839 245 HE1 HIS 31 1HE HIS 31 -7.361 44.418 18.516 246 HA PRO 32 HA PRO 32 -12.646 36.622 19.217 247 1HB PRO 32 2HB PRO 32 -13.200 35.330 21.539 248 2HB PRO 32 3HB PRO 32 -11.667 35.145 20.679 249 1HG PRO 32 2HG PRO 32 -12.318 36.857 23.047 250 2HG PRO 32 3HG PRO 32 -10.887 35.851 22.753 251 1HD PRO 32 2HD PRO 32 -10.881 38.533 22.384 252 2HD PRO 32 3HD PRO 32 -9.897 37.431 21.398 253 H ALA 33 H ALA 33 -14.865 35.685 19.860 254 HA ALA 33 HA ALA 33 -16.726 37.811 19.968 255 1HB ALA 33 1HB ALA 33 -16.886 35.348 19.010 256 2HB ALA 33 2HB ALA 33 -17.614 35.046 20.587 257 3HB ALA 33 3HB ALA 33 -18.319 36.249 19.507 258 H ARG 34 H ARG 34 -18.669 37.627 21.553 259 HA ARG 34 HA ARG 34 -18.231 36.698 24.185 260 1HB ARG 34 2HB ARG 34 -17.176 39.341 23.521 261 2HB ARG 34 3HB ARG 34 -18.310 39.376 24.865 262 1HG ARG 34 2HG ARG 34 -16.869 37.360 25.723 263 2HG ARG 34 3HG ARG 34 -15.648 38.064 24.660 264 1HD ARG 34 2HD ARG 34 -15.229 39.105 26.690 265 2HD ARG 34 3HD ARG 34 -16.233 40.283 25.845 266 HE ARG 34 HE ARG 34 -17.724 38.471 27.504 267 1HH1 ARG 34 2HH1 ARG 34 -15.933 41.455 27.413 268 2HH1 ARG 34 1HH1 ARG 34 -16.730 42.128 28.796 269 1HH2 ARG 34 2HH2 ARG 34 -18.780 39.346 29.327 270 2HH2 ARG 34 1HH2 ARG 34 -18.349 40.927 29.885 271 H PHE 35 H PHE 35 -19.873 37.723 25.738 272 HA PHE 35 HA PHE 35 -22.435 37.441 24.657 273 1HB PHE 35 2HB PHE 35 -21.372 38.477 27.258 274 2HB PHE 35 3HB PHE 35 -23.084 38.662 26.891 275 HD1 PHE 35 1HD PHE 35 -20.400 36.085 26.994 276 HD2 PHE 35 2HD PHE 35 -24.546 36.952 27.404 277 HE1 PHE 35 1HE PHE 35 -20.803 33.779 27.752 278 HE2 PHE 35 2HE PHE 35 -24.957 34.648 28.162 279 HZ PHE 35 HZ PHE 35 -23.084 33.058 28.339 280 H SER 36 H SER 36 -23.415 38.749 23.273 281 HA SER 36 HA SER 36 -24.004 41.434 23.818 282 1HB SER 36 2HB SER 36 -22.670 42.473 21.931 283 2HB SER 36 3HB SER 36 -21.727 41.988 23.341 284 HG SER 36 HG SER 36 -21.440 41.210 20.812 285 HA PRO 37 HA PRO 37 -26.478 39.195 20.570 286 1HB PRO 37 2HB PRO 37 -28.862 39.500 21.831 287 2HB PRO 37 3HB PRO 37 -27.774 38.143 22.148 288 1HG PRO 37 2HG PRO 37 -28.157 40.669 23.708 289 2HG PRO 37 3HG PRO 37 -27.983 39.005 24.297 290 1HD PRO 37 2HD PRO 37 -25.935 40.778 24.311 291 2HD PRO 37 3HD PRO 37 -25.688 39.034 24.080 292 H ASP 38 H ASP 38 -27.451 42.058 22.459 293 HA ASP 38 HA ASP 38 -27.639 43.649 20.066 294 1HB ASP 38 2HB ASP 38 -29.876 42.306 20.442 295 2HB ASP 38 3HB ASP 38 -30.173 43.550 21.652 296 H ASP 39 H ASP 39 -28.567 45.904 20.686 297 HA ASP 39 HA ASP 39 -27.069 46.776 23.007 298 1HB ASP 39 2HB ASP 39 -28.693 48.459 21.091 299 2HB ASP 39 3HB ASP 39 -27.440 49.016 22.198 300 H LYS 40 H LYS 40 -30.340 46.124 22.157 301 HA LYS 40 HA LYS 40 -31.456 47.698 24.322 302 1HB LYS 40 2HB LYS 40 -32.697 45.806 22.323 303 2HB LYS 40 3HB LYS 40 -33.615 46.629 23.577 304 1HG LYS 40 2HG LYS 40 -31.921 48.304 21.817 305 2HG LYS 40 3HG LYS 40 -33.373 47.588 21.113 306 1HD LYS 40 2HD LYS 40 -33.484 49.048 23.730 307 2HD LYS 40 3HD LYS 40 -33.547 49.923 22.198 308 1HE LYS 40 2HE LYS 40 -35.530 48.778 21.540 309 2HE LYS 40 3HE LYS 40 -35.396 47.648 22.886 310 1HZ LYS 40 1HZ LYS 40 -36.002 50.550 23.049 311 2HZ LYS 40 2HZ LYS 40 -35.707 49.567 24.394 312 3HZ LYS 40 3HZ LYS 40 -37.047 49.269 23.407 313 H TYR 41 H TYR 41 -29.733 44.996 24.344 314 HA TYR 41 HA TYR 41 -31.204 43.047 25.668 315 1HB TYR 41 2HB TYR 41 -29.140 42.079 26.297 316 2HB TYR 41 3HB TYR 41 -28.821 42.898 24.772 317 HD1 TYR 41 1HD TYR 41 -27.654 42.392 28.037 318 HD2 TYR 41 2HD TYR 41 -27.959 45.393 25.036 319 HE1 TYR 41 1HE TYR 41 -25.812 43.630 29.095 320 HE2 TYR 41 2HE TYR 41 -26.117 46.638 26.085 321 HH TYR 41 HH TYR 41 -24.824 45.737 29.189 322 H SER 42 H SER 42 -29.984 46.075 26.810 323 HA SER 42 HA SER 42 -29.775 45.684 29.533 324 1HB SER 42 2HB SER 42 -30.752 48.151 29.572 325 2HB SER 42 3HB SER 42 -29.146 47.816 28.927 326 HG SER 42 HG SER 42 -31.482 47.876 27.326 327 H ARG 43 H ARG 43 -31.337 46.559 31.215 328 HA ARG 43 HA ARG 43 -33.795 45.091 30.985 329 1HB ARG 43 2HB ARG 43 -32.319 45.414 33.084 330 2HB ARG 43 3HB ARG 43 -33.121 46.972 33.230 331 1HG ARG 43 2HG ARG 43 -35.190 46.012 33.660 332 2HG ARG 43 3HG ARG 43 -34.715 44.455 32.977 333 1HD ARG 43 2HD ARG 43 -34.826 44.299 35.390 334 2HD ARG 43 3HD ARG 43 -33.154 44.137 34.854 335 HE ARG 43 HE ARG 43 -33.560 46.817 35.432 336 1HH1 ARG 43 2HH1 ARG 43 -33.609 43.773 37.120 337 2HH1 ARG 43 1HH1 ARG 43 -33.128 44.459 38.637 338 1HH2 ARG 43 2HH2 ARG 43 -32.925 47.731 37.423 339 2HH2 ARG 43 1HH2 ARG 43 -32.740 46.710 38.809 340 H GLN 44 H GLN 44 -32.809 48.278 30.321 341 HA GLN 44 HA GLN 44 -35.002 49.835 30.932 342 1HB GLN 44 2HB GLN 44 -34.240 51.376 29.308 343 2HB GLN 44 3HB GLN 44 -32.798 50.564 29.901 344 1HG GLN 44 2HG GLN 44 -33.068 49.011 27.891 345 2HG GLN 44 3HG GLN 44 -34.192 50.221 27.274 346 1HE2 GLN 44 1HE2 GLN 44 -32.961 50.848 25.555 347 2HE2 GLN 44 2HE2 GLN 44 -31.458 51.685 25.714 348 H ARG 45 H ARG 45 -34.632 47.452 28.415 349 HA ARG 45 HA ARG 45 -36.680 48.156 26.683 350 1HB ARG 45 2HB ARG 45 -35.200 45.711 27.335 351 2HB ARG 45 3HB ARG 45 -36.820 45.410 26.718 352 1HG ARG 45 2HG ARG 45 -36.131 47.092 24.857 353 2HG ARG 45 3HG ARG 45 -34.491 46.695 25.372 354 1HD ARG 45 2HD ARG 45 -35.037 45.223 23.590 355 2HD ARG 45 3HD ARG 45 -35.091 44.276 25.076 356 HE ARG 45 HE ARG 45 -37.664 45.189 24.622 357 1HH1 ARG 45 2HH1 ARG 45 -35.338 43.154 23.020 358 2HH1 ARG 45 1HH1 ARG 45 -36.536 42.166 22.253 359 1HH2 ARG 45 2HH2 ARG 45 -39.252 43.895 23.617 360 2HH2 ARG 45 1HH2 ARG 45 -38.762 42.589 22.593 361 H VAL 46 H VAL 46 -36.830 46.710 29.851 362 HA VAL 46 HA VAL 46 -39.557 45.860 29.665 363 HB VAL 46 HB VAL 46 -37.843 46.323 32.109 364 1HG1 VAL 46 1HG1 VAL 46 -40.054 46.352 32.877 365 2HG1 VAL 46 2HG1 VAL 46 -40.560 45.102 31.738 366 3HG1 VAL 46 3HG1 VAL 46 -39.534 44.683 33.110 367 1HG2 VAL 46 1HG2 VAL 46 -38.351 43.580 31.611 368 2HG2 VAL 46 2HG2 VAL 46 -37.770 44.299 30.109 369 3HG2 VAL 46 3HG2 VAL 46 -36.807 44.431 31.580 370 H THR 47 H THR 47 -37.894 48.664 31.046 371 HA THR 47 HA THR 47 -40.163 49.870 32.203 372 HB THR 47 HB THR 47 -38.603 52.017 31.649 373 HG1 THR 47 1HG THR 47 -36.582 51.442 31.249 374 1HG2 THR 47 1HG2 THR 47 -38.482 51.979 33.873 375 2HG2 THR 47 2HG2 THR 47 -37.389 50.596 33.826 376 3HG2 THR 47 3HG2 THR 47 -39.134 50.342 33.850 377 H LEU 48 H LEU 48 -41.934 50.190 30.975 378 HA LEU 48 HA LEU 48 -42.022 50.758 28.257 379 1HB LEU 48 2HB LEU 48 -43.911 51.132 30.528 380 2HB LEU 48 3HB LEU 48 -44.299 51.871 28.976 381 HG LEU 48 HG LEU 48 -43.786 48.926 29.377 382 1HD1 LEU 48 1HD1 LEU 48 -46.239 48.706 29.084 383 2HD1 LEU 48 2HD1 LEU 48 -46.375 50.460 29.223 384 3HD1 LEU 48 3HD1 LEU 48 -45.775 49.511 30.584 385 1HD2 LEU 48 1HD2 LEU 48 -43.915 50.567 27.065 386 2HD2 LEU 48 2HD2 LEU 48 -45.357 49.551 27.096 387 3HD2 LEU 48 3HD2 LEU 48 -43.755 48.813 27.162 388 H LYS 49 H LYS 49 -42.990 53.152 30.700 389 HA LYS 49 HA LYS 49 -42.873 55.430 30.695 390 1HB LYS 49 2HB LYS 49 -40.423 54.550 31.028 391 2HB LYS 49 3HB LYS 49 -40.168 55.229 29.425 392 1HG LYS 49 2HG LYS 49 -41.184 57.379 30.399 393 2HG LYS 49 3HG LYS 49 -40.883 56.633 31.971 394 1HD LYS 49 2HD LYS 49 -38.503 56.351 31.324 395 2HD LYS 49 3HD LYS 49 -38.841 57.224 29.827 396 1HE LYS 49 2HE LYS 49 -38.046 58.918 31.162 397 2HE LYS 49 3HE LYS 49 -39.780 59.045 31.449 398 1HZ LYS 49 1HZ LYS 49 -38.662 57.213 33.271 399 2HZ LYS 49 2HZ LYS 49 -39.440 58.680 33.591 400 3HZ LYS 49 3HZ LYS 49 -37.770 58.649 33.327 401 H LYS 50 H LYS 50 -44.106 54.322 28.395 402 HA LYS 50 HA LYS 50 -43.308 56.253 26.317 403 1HB LYS 50 2HB LYS 50 -44.360 54.736 24.688 404 2HB LYS 50 3HB LYS 50 -43.053 53.951 25.565 405 1HG LYS 50 2HG LYS 50 -44.539 52.288 25.790 406 2HG LYS 50 3HG LYS 50 -45.158 53.276 27.116 407 1HD LYS 50 2HD LYS 50 -47.106 52.963 25.982 408 2HD LYS 50 3HD LYS 50 -46.524 54.391 25.119 409 1HE LYS 50 2HE LYS 50 -45.760 51.661 24.171 410 2HE LYS 50 3HE LYS 50 -47.358 52.303 23.793 411 1HZ LYS 50 1HZ LYS 50 -45.695 54.352 23.170 412 2HZ LYS 50 2HZ LYS 50 -46.354 53.255 22.065 413 3HZ LYS 50 3HZ LYS 50 -44.802 52.998 22.686 414 H ARG 51 H ARG 51 -45.879 55.056 28.315 415 HA ARG 51 HA ARG 51 -48.137 55.991 27.031 416 1HB ARG 51 2HB ARG 51 -49.189 56.096 29.227 417 2HB ARG 51 3HB ARG 51 -48.187 54.658 29.095 418 1HG ARG 51 2HG ARG 51 -46.941 57.077 30.261 419 2HG ARG 51 3HG ARG 51 -48.151 56.231 31.228 420 1HD ARG 51 2HD ARG 51 -46.765 54.114 30.540 421 2HD ARG 51 3HD ARG 51 -45.485 55.297 30.272 422 HE ARG 51 HE ARG 51 -46.498 54.395 32.792 423 1HH1 ARG 51 2HH1 ARG 51 -44.993 57.060 31.134 424 2HH1 ARG 51 1HH1 ARG 51 -44.275 57.715 32.568 425 1HH2 ARG 51 2HH2 ARG 51 -45.557 55.248 34.687 426 2HH2 ARG 51 1HH2 ARG 51 -44.595 56.683 34.588 427 H PHE 52 H PHE 52 -49.481 57.904 27.648 428 HA PHE 52 HA PHE 52 -47.782 60.289 27.974 429 1HB PHE 52 2HB PHE 52 -50.335 60.058 26.368 430 2HB PHE 52 3HB PHE 52 -49.334 61.496 26.523 431 HD1 PHE 52 1HD PHE 52 -47.013 61.470 25.573 432 HD2 PHE 52 2HD PHE 52 -49.861 58.410 24.767 433 HE1 PHE 52 1HE PHE 52 -45.699 60.768 23.614 434 HE2 PHE 52 2HE PHE 52 -48.551 57.703 22.809 435 HZ PHE 52 HZ PHE 52 -46.467 58.881 22.230 436 H GLY 53 H GLY 53 -48.113 61.242 29.867 437 1HA GLY 53 2HA GLY 53 -50.330 60.693 31.541 438 2HA GLY 53 3HA GLY 53 -49.141 61.963 31.791 439 H LEU 54 H LEU 54 -49.580 63.415 29.410 440 HA LEU 54 HA LEU 54 -52.316 64.412 29.867 441 1HB LEU 54 2HB LEU 54 -51.534 66.639 29.412 442 2HB LEU 54 3HB LEU 54 -50.568 65.927 30.703 443 HG LEU 54 HG LEU 54 -49.572 65.870 27.882 444 1HD1 LEU 54 1HD1 LEU 54 -48.758 68.121 29.623 445 2HD1 LEU 54 2HD1 LEU 54 -50.332 68.234 28.837 446 3HD1 LEU 54 3HD1 LEU 54 -48.873 68.027 27.866 447 1HD2 LEU 54 1HD2 LEU 54 -47.942 64.808 28.968 448 2HD2 LEU 54 2HD2 LEU 54 -48.570 65.285 30.546 449 3HD2 LEU 54 3HD2 LEU 54 -47.515 66.377 29.649 450 H VAL 55 H VAL 55 -53.571 64.908 28.116 451 HA VAL 55 HA VAL 55 -52.396 64.653 25.443 452 HB VAL 55 HB VAL 55 -54.942 63.230 26.220 453 1HG1 VAL 55 1HG1 VAL 55 -54.818 62.227 24.038 454 2HG1 VAL 55 2HG1 VAL 55 -54.728 63.981 23.862 455 3HG1 VAL 55 3HG1 VAL 55 -53.266 63.004 23.724 456 1HG2 VAL 55 1HG2 VAL 55 -53.373 61.933 27.302 457 2HG2 VAL 55 2HG2 VAL 55 -53.406 61.182 25.707 458 3HG2 VAL 55 3HG2 VAL 55 -52.107 62.296 26.129 459 HA PRO 56 HA PRO 56 -55.328 68.249 25.904 460 1HB PRO 56 2HB PRO 56 -53.622 70.090 24.870 461 2HB PRO 56 3HB PRO 56 -53.649 69.662 26.585 462 1HG PRO 56 2HG PRO 56 -51.801 68.719 24.426 463 2HG PRO 56 3HG PRO 56 -51.423 69.207 26.088 464 1HD PRO 56 2HD PRO 56 -51.613 66.611 25.339 465 2HD PRO 56 3HD PRO 56 -52.058 67.171 26.964 466 H GLY 57 H GLY 57 -53.502 66.770 23.375 467 1HA GLY 57 2HA GLY 57 -55.590 67.236 21.472 468 2HA GLY 57 3HA GLY 57 -54.156 68.190 21.118 469 H GLN 58 H GLN 58 -52.374 67.218 20.248 470 HA GLN 58 HA GLN 58 -52.682 64.908 18.748 471 1HB GLN 58 2HB GLN 58 -50.908 66.732 18.530 472 2HB GLN 58 3HB GLN 58 -50.017 65.866 19.775 473 1HG GLN 58 2HG GLN 58 -49.256 65.326 17.505 474 2HG GLN 58 3HG GLN 58 -49.858 63.917 18.377 475 1HE2 GLN 58 1HE2 GLN 58 -51.071 62.624 17.214 476 2HE2 GLN 58 2HE2 GLN 58 -52.072 63.081 15.883 Start of MODEL 3 1 1H HIS 2 H HIS 2 13.160 21.003 26.481 2 HA HIS 2 HA HIS 2 11.421 21.167 24.463 3 1HB HIS 2 2HB HIS 2 14.087 21.937 23.268 4 2HB HIS 2 3HB HIS 2 12.543 21.796 22.432 5 HD1 HIS 2 1HD HIS 2 10.650 23.555 23.585 6 HD2 HIS 2 2HD HIS 2 14.689 24.506 23.803 7 HE1 HIS 2 1HE HIS 2 10.735 26.032 24.012 8 H LEU 3 H LEU 3 11.135 19.024 24.548 9 HA LEU 3 HA LEU 3 13.215 17.127 24.794 10 1HB LEU 3 2HB LEU 3 11.421 15.478 24.200 11 2HB LEU 3 3HB LEU 3 11.072 16.522 25.577 12 HG LEU 3 HG LEU 3 9.916 17.897 23.516 13 1HD1 LEU 3 1HD1 LEU 3 8.529 16.129 22.367 14 2HD1 LEU 3 2HD1 LEU 3 9.705 14.952 22.949 15 3HD1 LEU 3 3HD1 LEU 3 10.214 16.240 21.858 16 1HD2 LEU 3 1HD2 LEU 3 7.831 16.454 24.413 17 2HD2 LEU 3 2HD2 LEU 3 8.568 17.775 25.321 18 3HD2 LEU 3 3HD2 LEU 3 9.011 16.104 25.676 19 H MET 4 H MET 4 14.156 15.756 23.305 20 HA MET 4 HA MET 4 13.819 16.548 20.489 21 1HB MET 4 2HB MET 4 16.117 15.731 20.144 22 2HB MET 4 3HB MET 4 16.049 17.019 21.340 23 1HG MET 4 2HG MET 4 15.889 14.247 22.352 24 2HG MET 4 3HG MET 4 17.435 14.774 21.692 25 1HE MET 4 1HE MET 4 19.216 15.866 23.266 26 2HE MET 4 2HE MET 4 18.849 15.685 24.982 27 3HE MET 4 3HE MET 4 18.601 14.331 23.878 28 H TYR 5 H TYR 5 12.352 14.484 22.139 29 HA TYR 5 HA TYR 5 12.423 12.400 20.137 30 1HB TYR 5 2HB TYR 5 12.775 10.571 21.735 31 2HB TYR 5 3HB TYR 5 14.170 11.643 21.680 32 HD1 TYR 5 1HD TYR 5 11.581 10.219 23.749 33 HD2 TYR 5 2HD TYR 5 14.518 13.290 23.540 34 HE1 TYR 5 1HE TYR 5 11.455 10.497 26.189 35 HE2 TYR 5 2HE TYR 5 14.402 13.576 25.980 36 HH TYR 5 HH TYR 5 13.628 12.688 27.903 37 H THR 6 H THR 6 10.396 11.857 19.712 38 HA THR 6 HA THR 6 8.262 12.695 21.463 39 HB THR 6 HB THR 6 6.796 11.639 19.674 40 HG1 THR 6 1HG THR 6 7.751 10.562 18.128 41 1HG2 THR 6 1HG2 THR 6 6.921 13.927 19.451 42 2HG2 THR 6 2HG2 THR 6 7.629 13.414 17.920 43 3HG2 THR 6 3HG2 THR 6 8.672 13.919 19.249 44 H LEU 7 H LEU 7 6.736 11.368 22.460 45 HA LEU 7 HA LEU 7 7.703 8.669 23.052 46 1HB LEU 7 2HB LEU 7 5.605 10.354 24.411 47 2HB LEU 7 3HB LEU 7 6.112 8.748 24.931 48 HG LEU 7 HG LEU 7 7.734 11.287 24.978 49 1HD1 LEU 7 1HD1 LEU 7 6.366 9.594 27.005 50 2HD1 LEU 7 2HD1 LEU 7 6.489 11.349 26.895 51 3HD1 LEU 7 3HD1 LEU 7 7.870 10.402 27.449 52 1HD2 LEU 7 1HD2 LEU 7 9.528 9.996 24.686 53 2HD2 LEU 7 2HD2 LEU 7 8.587 8.512 24.838 54 3HD2 LEU 7 3HD2 LEU 7 9.178 9.334 26.283 55 H GLY 8 H GLY 8 6.111 6.915 23.251 56 1HA GLY 8 2HA GLY 8 4.227 7.033 21.015 57 2HA GLY 8 3HA GLY 8 4.802 5.575 21.810 58 HA PRO 9 HA PRO 9 0.471 6.592 23.255 59 1HB PRO 9 2HB PRO 9 -0.602 4.186 22.604 60 2HB PRO 9 3HB PRO 9 -0.526 5.541 21.473 61 1HG PRO 9 2HG PRO 9 1.274 3.161 21.700 62 2HG PRO 9 3HG PRO 9 0.608 3.925 20.244 63 1HD PRO 9 2HD PRO 9 3.143 4.362 21.090 64 2HD PRO 9 3HD PRO 9 2.190 5.601 20.249 65 H ASP 10 H ASP 10 2.865 4.194 23.819 66 HA ASP 10 HA ASP 10 1.526 3.354 26.301 67 1HB ASP 10 2HB ASP 10 2.210 1.597 24.593 68 2HB ASP 10 3HB ASP 10 3.880 1.987 24.998 69 H GLY 11 H GLY 11 4.212 5.058 25.000 70 1HA GLY 11 2HA GLY 11 5.226 6.644 26.624 71 2HA GLY 11 3HA GLY 11 5.369 5.272 27.713 72 H LYS 12 H LYS 12 5.956 4.604 24.411 73 HA LYS 12 HA LYS 12 8.705 3.968 24.969 74 1HB LYS 12 2HB LYS 12 6.770 3.130 23.108 75 2HB LYS 12 3HB LYS 12 8.048 3.881 22.161 76 1HG LYS 12 2HG LYS 12 9.628 2.331 22.818 77 2HG LYS 12 3HG LYS 12 8.733 1.883 24.273 78 1HD LYS 12 2HD LYS 12 7.189 0.599 23.060 79 2HD LYS 12 3HD LYS 12 7.647 1.340 21.524 80 1HE LYS 12 2HE LYS 12 10.001 0.292 22.160 81 2HE LYS 12 3HE LYS 12 8.980 -0.815 23.077 82 1HZ LYS 12 1HZ LYS 12 7.772 -0.623 20.630 83 2HZ LYS 12 2HZ LYS 12 8.718 -1.913 21.182 84 3HZ LYS 12 3HZ LYS 12 9.423 -0.679 20.264 85 H ARG 13 H ARG 13 10.410 5.242 24.681 86 HA ARG 13 HA ARG 13 10.110 7.902 23.686 87 1HB ARG 13 2HB ARG 13 12.719 6.492 24.229 88 2HB ARG 13 3HB ARG 13 12.391 8.219 24.281 89 1HG ARG 13 2HG ARG 13 10.863 7.782 26.213 90 2HG ARG 13 3HG ARG 13 11.448 6.117 26.213 91 1HD ARG 13 2HD ARG 13 13.786 7.108 26.383 92 2HD ARG 13 3HD ARG 13 12.993 8.640 26.749 93 HE ARG 13 HE ARG 13 13.311 6.406 28.504 94 1HH1 ARG 13 2HH1 ARG 13 11.272 9.121 27.734 95 2HH1 ARG 13 1HH1 ARG 13 10.624 9.254 29.336 96 1HH2 ARG 13 2HH2 ARG 13 12.465 6.571 30.615 97 2HH2 ARG 13 1HH2 ARG 13 11.304 7.804 30.974 98 H ILE 14 H ILE 14 10.988 8.829 21.837 99 HA ILE 14 HA ILE 14 12.160 7.038 19.840 100 HB ILE 14 HB ILE 14 9.844 8.874 19.224 101 1HG1 ILE 14 2HG1 ILE 14 9.901 5.852 19.177 102 2HG1 ILE 14 3HG1 ILE 14 9.267 6.793 20.524 103 1HG2 ILE 14 1HG2 ILE 14 11.559 7.083 17.534 104 2HG2 ILE 14 2HG2 ILE 14 9.945 7.579 17.027 105 3HG2 ILE 14 3HG2 ILE 14 11.192 8.793 17.311 106 1HD1 ILE 14 1HD1 ILE 14 7.931 7.853 18.388 107 2HD1 ILE 14 2HD1 ILE 14 8.060 6.147 17.958 108 3HD1 ILE 14 3HD1 ILE 14 7.310 6.618 19.483 109 H TYR 15 H TYR 15 14.124 8.011 19.801 110 HA TYR 15 HA TYR 15 14.461 10.849 19.853 111 1HB TYR 15 2HB TYR 15 16.263 8.489 19.542 112 2HB TYR 15 3HB TYR 15 16.865 10.072 19.060 113 HD1 TYR 15 1HD TYR 15 15.722 8.021 21.886 114 HD2 TYR 15 2HD TYR 15 17.344 11.772 20.701 115 HE1 TYR 15 1HE TYR 15 16.272 8.518 24.232 116 HE2 TYR 15 2HE TYR 15 17.900 12.278 23.043 117 HH TYR 15 HH TYR 15 17.557 9.888 25.570 118 H THR 16 H THR 16 13.620 11.950 18.177 119 HA THR 16 HA THR 16 14.678 11.336 15.510 120 HB THR 16 HB THR 16 12.353 12.115 14.642 121 HG1 THR 16 1HG THR 16 11.445 12.637 16.658 122 1HG2 THR 16 1HG2 THR 16 11.625 9.550 15.421 123 2HG2 THR 16 2HG2 THR 16 13.389 9.520 15.414 124 3HG2 THR 16 3HG2 THR 16 12.509 9.993 13.961 125 H LEU 17 H LEU 17 14.746 13.454 17.856 126 HA LEU 17 HA LEU 17 15.008 15.707 18.075 127 1HB LEU 17 2HB LEU 17 16.639 14.848 16.110 128 2HB LEU 17 3HB LEU 17 15.701 16.052 15.228 129 HG LEU 17 HG LEU 17 17.777 17.003 16.057 130 1HD1 LEU 17 1HD1 LEU 17 15.398 18.048 17.583 131 2HD1 LEU 17 2HD1 LEU 17 15.778 18.422 15.903 132 3HD1 LEU 17 3HD1 LEU 17 16.868 18.940 17.189 133 1HD2 LEU 17 1HD2 LEU 17 17.292 15.417 18.298 134 2HD2 LEU 17 2HD2 LEU 17 17.132 17.080 18.865 135 3HD2 LEU 17 3HD2 LEU 17 18.616 16.560 18.066 136 H LYS 18 H LYS 18 12.382 15.017 17.612 137 HA LYS 18 HA LYS 18 11.038 16.210 15.520 138 1HB LYS 18 2HB LYS 18 10.362 15.079 18.023 139 2HB LYS 18 3HB LYS 18 9.562 16.644 17.944 140 1HG LYS 18 2HG LYS 18 9.119 15.503 15.449 141 2HG LYS 18 3HG LYS 18 8.921 14.177 16.597 142 1HD LYS 18 2HD LYS 18 6.807 15.009 16.679 143 2HD LYS 18 3HD LYS 18 7.541 16.054 17.898 144 1HE LYS 18 2HE LYS 18 7.462 17.891 16.565 145 2HE LYS 18 3HE LYS 18 7.708 16.963 15.087 146 1HZ LYS 18 1HZ LYS 18 5.237 17.667 16.446 147 2HZ LYS 18 2HZ LYS 18 5.299 16.109 15.789 148 3HZ LYS 18 3HZ LYS 18 5.544 17.456 14.796 149 H LYS 19 H LYS 19 11.296 17.693 18.754 150 HA LYS 19 HA LYS 19 10.528 20.256 17.937 151 1HB LYS 19 2HB LYS 19 12.263 19.467 20.285 152 2HB LYS 19 3HB LYS 19 11.466 21.022 20.085 153 1HG LYS 19 2HG LYS 19 9.786 18.577 19.989 154 2HG LYS 19 3HG LYS 19 10.422 19.094 21.553 155 1HD LYS 19 2HD LYS 19 8.454 20.262 21.519 156 2HD LYS 19 3HD LYS 19 9.521 21.443 20.754 157 1HE LYS 19 2HE LYS 19 8.596 21.142 18.686 158 2HE LYS 19 3HE LYS 19 8.157 19.465 19.007 159 1HZ LYS 19 1HZ LYS 19 6.391 20.289 20.481 160 2HZ LYS 19 2HZ LYS 19 6.187 20.804 18.883 161 3HZ LYS 19 3HZ LYS 19 6.777 21.878 20.050 162 H VAL 20 H VAL 20 12.065 22.214 18.341 163 HA VAL 20 HA VAL 20 14.466 21.758 16.702 164 HB VAL 20 HB VAL 20 12.753 23.321 15.784 165 1HG1 VAL 20 1HG1 VAL 20 12.018 25.169 16.862 166 2HG1 VAL 20 2HG1 VAL 20 12.452 24.231 18.292 167 3HG1 VAL 20 3HG1 VAL 20 13.564 25.449 17.664 168 1HG2 VAL 20 1HG2 VAL 20 14.340 24.619 14.807 169 2HG2 VAL 20 2HG2 VAL 20 15.104 25.037 16.341 170 3HG2 VAL 20 3HG2 VAL 20 15.411 23.465 15.602 171 H THR 21 H THR 21 16.428 22.755 17.262 172 HA THR 21 HA THR 21 16.607 23.575 20.087 173 HB THR 21 HB THR 21 17.736 21.412 19.558 174 HG1 THR 21 1HG THR 21 19.710 22.046 20.598 175 1HG2 THR 21 1HG2 THR 21 18.493 22.501 17.239 176 2HG2 THR 21 2HG2 THR 21 19.390 21.191 18.007 177 3HG2 THR 21 3HG2 THR 21 19.935 22.858 18.190 178 H GLU 22 H GLU 22 18.738 24.851 20.473 179 HA GLU 22 HA GLU 22 18.654 27.128 18.667 180 1HB GLU 22 2HB GLU 22 18.712 27.093 21.316 181 2HB GLU 22 3HB GLU 22 20.448 27.042 21.049 182 1HG GLU 22 2HG GLU 22 20.018 29.064 19.490 183 2HG GLU 22 3HG GLU 22 18.497 29.195 20.371 184 H SER 23 H SER 23 20.299 27.819 17.389 185 HA SER 23 HA SER 23 22.395 25.914 16.814 186 1HB SER 23 2HB SER 23 21.404 26.895 14.892 187 2HB SER 23 3HB SER 23 21.554 28.522 15.552 188 HG SER 23 HG SER 23 23.530 28.617 14.835 189 H GLY 24 H GLY 24 22.211 29.307 17.869 190 1HA GLY 24 2HA GLY 24 24.504 29.040 19.542 191 2HA GLY 24 3HA GLY 24 24.906 29.885 18.055 192 H GLU 25 H GLU 25 23.364 31.730 17.508 193 HA GLU 25 HA GLU 25 23.361 33.539 19.713 194 1HB GLU 25 2HB GLU 25 23.598 33.956 17.115 195 2HB GLU 25 3HB GLU 25 21.850 34.120 17.201 196 1HG GLU 25 2HG GLU 25 22.972 36.277 17.360 197 2HG GLU 25 3HG GLU 25 22.068 35.903 18.826 198 H ILE 26 H ILE 26 21.486 34.742 20.473 199 HA ILE 26 HA ILE 26 19.094 33.030 20.591 200 HB ILE 26 HB ILE 26 20.213 33.404 22.758 201 1HG1 ILE 26 2HG1 ILE 26 17.596 34.901 22.726 202 2HG1 ILE 26 3HG1 ILE 26 17.681 33.163 22.456 203 1HG2 ILE 26 1HG2 ILE 26 20.547 35.996 21.821 204 2HG2 ILE 26 2HG2 ILE 26 19.376 36.145 23.130 205 3HG2 ILE 26 3HG2 ILE 26 20.943 35.395 23.431 206 1HD1 ILE 26 1HD1 ILE 26 17.951 34.707 24.930 207 2HD1 ILE 26 2HD1 ILE 26 17.390 33.055 24.669 208 3HD1 ILE 26 3HD1 ILE 26 19.118 33.400 24.735 209 H THR 27 H THR 27 17.055 33.920 20.330 210 HA THR 27 HA THR 27 17.020 36.573 19.060 211 HB THR 27 HB THR 27 14.766 35.781 18.153 212 HG1 THR 27 1HG THR 27 15.840 33.259 18.944 213 1HG2 THR 27 1HG2 THR 27 16.993 34.046 17.153 214 2HG2 THR 27 2HG2 THR 27 17.095 35.799 16.989 215 3HG2 THR 27 3HG2 THR 27 15.762 34.919 16.242 216 H LYS 28 H LYS 28 16.031 38.191 20.067 217 HA LYS 28 HA LYS 28 14.262 37.557 22.330 218 1HB LYS 28 2HB LYS 28 14.775 39.825 23.143 219 2HB LYS 28 3HB LYS 28 16.225 38.848 22.956 220 1HG LYS 28 2HG LYS 28 16.948 40.046 21.107 221 2HG LYS 28 3HG LYS 28 15.339 40.688 20.771 222 1HD LYS 28 2HD LYS 28 15.486 42.008 22.868 223 2HD LYS 28 3HD LYS 28 17.142 41.436 23.072 224 1HE LYS 28 2HE LYS 28 16.302 42.785 20.536 225 2HE LYS 28 3HE LYS 28 16.713 43.740 21.959 226 1HZ LYS 28 1HZ LYS 28 18.520 41.677 20.838 227 2HZ LYS 28 2HZ LYS 28 18.892 42.879 21.969 228 3HZ LYS 28 3HZ LYS 28 18.577 43.299 20.360 229 H SER 29 H SER 29 14.461 39.160 19.265 230 HA SER 29 HA SER 29 11.859 40.441 19.645 231 1HB SER 29 2HB SER 29 13.967 41.520 18.514 232 2HB SER 29 3HB SER 29 13.432 40.616 17.098 233 HG SER 29 HG SER 29 12.604 42.881 17.510 234 H ALA 30 H ALA 30 12.008 37.575 19.528 235 HA ALA 30 HA ALA 30 10.606 37.064 16.985 236 1HB ALA 30 1HB ALA 30 12.700 35.804 17.206 237 2HB ALA 30 2HB ALA 30 12.099 35.079 18.697 238 3HB ALA 30 3HB ALA 30 11.293 34.741 17.166 239 H HIS 31 H HIS 31 8.587 36.226 17.041 240 HA HIS 31 HA HIS 31 6.543 35.651 17.857 241 1HB HIS 31 2HB HIS 31 7.700 33.599 18.517 242 2HB HIS 31 3HB HIS 31 8.207 34.353 20.025 243 HD1 HIS 31 1HD HIS 31 6.813 33.677 21.938 244 HD2 HIS 31 2HD HIS 31 4.654 33.666 18.388 245 HE1 HIS 31 1HE HIS 31 4.503 32.900 22.558 246 HA PRO 32 HA PRO 32 6.700 39.228 20.822 247 1HB PRO 32 2HB PRO 32 4.917 40.749 19.451 248 2HB PRO 32 3HB PRO 32 6.652 40.757 19.107 249 1HG PRO 32 2HG PRO 32 4.447 39.302 17.697 250 2HG PRO 32 3HG PRO 32 5.825 40.182 17.010 251 1HD PRO 32 2HD PRO 32 5.783 37.483 17.228 252 2HD PRO 32 3HD PRO 32 7.280 38.428 17.358 253 H ALA 33 H ALA 33 4.535 40.489 21.541 254 HA ALA 33 HA ALA 33 2.928 38.532 22.818 255 1HB ALA 33 1HB ALA 33 2.292 41.464 22.571 256 2HB ALA 33 2HB ALA 33 1.782 40.345 23.836 257 3HB ALA 33 3HB ALA 33 3.476 40.819 23.708 258 H ARG 34 H ARG 34 2.314 40.792 20.148 259 HA ARG 34 HA ARG 34 0.565 39.062 18.798 260 1HB ARG 34 2HB ARG 34 -1.568 40.286 19.137 261 2HB ARG 34 3HB ARG 34 -0.999 39.473 20.589 262 1HG ARG 34 2HG ARG 34 -1.535 41.454 21.523 263 2HG ARG 34 3HG ARG 34 0.099 41.868 21.000 264 1HD ARG 34 2HD ARG 34 -1.227 42.493 18.768 265 2HD ARG 34 3HD ARG 34 -2.524 42.743 19.935 266 HE ARG 34 HE ARG 34 -0.313 44.055 20.943 267 1HH1 ARG 34 2HH1 ARG 34 -2.302 44.222 18.091 268 2HH1 ARG 34 1HH1 ARG 34 -2.053 45.920 17.857 269 1HH2 ARG 34 2HH2 ARG 34 0.022 46.292 20.646 270 2HH2 ARG 34 1HH2 ARG 34 -0.731 47.097 19.311 271 H PHE 35 H PHE 35 -0.801 40.392 17.126 272 HA PHE 35 HA PHE 35 0.381 42.929 16.397 273 1HB PHE 35 2HB PHE 35 1.130 42.194 14.183 274 2HB PHE 35 3HB PHE 35 1.989 41.331 15.453 275 HD1 PHE 35 1HD PHE 35 1.297 38.982 16.005 276 HD2 PHE 35 2HD PHE 35 -0.126 41.049 12.569 277 HE1 PHE 35 1HE PHE 35 0.642 36.838 14.992 278 HE2 PHE 35 2HE PHE 35 -0.785 38.910 11.549 279 HZ PHE 35 HZ PHE 35 -0.401 36.799 12.762 280 H SER 36 H SER 36 -0.950 44.157 15.143 281 HA SER 36 HA SER 36 -3.673 43.376 14.943 282 1HB SER 36 2HB SER 36 -2.074 45.777 14.205 283 2HB SER 36 3HB SER 36 -3.638 45.571 13.416 284 HG SER 36 HG SER 36 -4.347 46.462 15.191 285 HA PRO 37 HA PRO 37 -3.976 41.574 10.956 286 1HB PRO 37 2HB PRO 37 -6.296 42.623 10.012 287 2HB PRO 37 3HB PRO 37 -6.241 41.416 11.303 288 1HG PRO 37 2HG PRO 37 -6.551 44.388 11.500 289 2HG PRO 37 3HG PRO 37 -7.411 43.112 12.382 290 1HD PRO 37 2HD PRO 37 -5.358 44.505 13.467 291 2HD PRO 37 3HD PRO 37 -5.684 42.808 13.877 292 H ASP 38 H ASP 38 -4.592 45.073 10.974 293 HA ASP 38 HA ASP 38 -3.876 45.353 8.195 294 1HB ASP 38 2HB ASP 38 -4.460 47.399 10.344 295 2HB ASP 38 3HB ASP 38 -4.134 47.800 8.660 296 H ASP 39 H ASP 39 -1.820 45.172 7.600 297 HA ASP 39 HA ASP 39 0.331 45.848 9.420 298 1HB ASP 39 2HB ASP 39 0.192 43.874 7.682 299 2HB ASP 39 3HB ASP 39 0.791 45.093 6.560 300 H LYS 40 H LYS 40 -1.372 47.298 6.803 301 HA LYS 40 HA LYS 40 0.674 49.157 6.050 302 1HB LYS 40 2HB LYS 40 -1.453 48.317 4.738 303 2HB LYS 40 3HB LYS 40 -2.228 49.674 5.544 304 1HG LYS 40 2HG LYS 40 -1.567 50.742 3.669 305 2HG LYS 40 3HG LYS 40 -0.081 50.937 4.601 306 1HD LYS 40 2HD LYS 40 -0.388 48.477 2.960 307 2HD LYS 40 3HD LYS 40 -0.068 49.997 2.122 308 1HE LYS 40 2HE LYS 40 1.851 50.304 3.775 309 2HE LYS 40 3HE LYS 40 1.615 48.607 4.188 310 1HZ LYS 40 1HZ LYS 40 3.331 48.932 2.493 311 2HZ LYS 40 2HZ LYS 40 2.188 49.627 1.459 312 3HZ LYS 40 3HZ LYS 40 2.043 48.004 1.908 313 H TYR 41 H TYR 41 -1.214 48.894 8.764 314 HA TYR 41 HA TYR 41 -2.153 51.425 9.333 315 1HB TYR 41 2HB TYR 41 -2.189 50.791 11.605 316 2HB TYR 41 3HB TYR 41 -2.368 49.283 10.717 317 HD1 TYR 41 1HD TYR 41 0.036 48.172 10.122 318 HD2 TYR 41 2HD TYR 41 -0.776 50.738 13.418 319 HE1 TYR 41 1HE TYR 41 1.969 47.235 11.320 320 HE2 TYR 41 2HE TYR 41 1.155 49.808 14.624 321 HH TYR 41 HH TYR 41 2.640 46.997 13.828 322 H SER 42 H SER 42 1.126 50.242 9.337 323 HA SER 42 HA SER 42 2.265 52.405 10.799 324 1HB SER 42 2HB SER 42 3.231 50.021 10.207 325 2HB SER 42 3HB SER 42 3.855 50.860 8.787 326 HG SER 42 HG SER 42 5.088 50.771 10.959 327 H ARG 43 H ARG 43 1.973 51.677 7.336 328 HA ARG 43 HA ARG 43 3.150 54.217 6.602 329 1HB ARG 43 2HB ARG 43 1.778 52.252 4.770 330 2HB ARG 43 3HB ARG 43 2.962 53.480 4.342 331 1HG ARG 43 2HG ARG 43 4.510 52.134 5.959 332 2HG ARG 43 3HG ARG 43 3.363 50.831 5.641 333 1HD ARG 43 2HD ARG 43 5.177 50.663 4.076 334 2HD ARG 43 3HD ARG 43 3.727 51.173 3.211 335 HE ARG 43 HE ARG 43 5.014 53.499 3.866 336 1HH1 ARG 43 2HH1 ARG 43 5.841 50.609 2.110 337 2HH1 ARG 43 1HH1 ARG 43 6.947 51.415 1.048 338 1HH2 ARG 43 2HH2 ARG 43 6.468 54.571 2.474 339 2HH2 ARG 43 1HH2 ARG 43 7.304 53.669 1.257 340 H GLN 44 H GLN 44 0.260 53.467 7.828 341 HA GLN 44 HA GLN 44 -1.697 54.477 6.162 342 1HB GLN 44 2HB GLN 44 -1.885 53.430 8.519 343 2HB GLN 44 3HB GLN 44 -1.691 55.075 9.107 344 1HG GLN 44 2HG GLN 44 -3.640 55.624 7.499 345 2HG GLN 44 3HG GLN 44 -3.933 53.885 7.535 346 1HE2 GLN 44 1HE2 GLN 44 -4.808 52.964 9.328 347 2HE2 GLN 44 2HE2 GLN 44 -5.362 53.862 10.695 348 H ARG 45 H ARG 45 0.654 56.196 8.117 349 HA ARG 45 HA ARG 45 -0.532 58.770 7.815 350 1HB ARG 45 2HB ARG 45 2.383 58.249 8.365 351 2HB ARG 45 3HB ARG 45 1.410 59.627 8.866 352 1HG ARG 45 2HG ARG 45 1.286 58.581 10.830 353 2HG ARG 45 3HG ARG 45 0.090 57.551 10.042 354 1HD ARG 45 2HD ARG 45 1.407 55.786 10.320 355 2HD ARG 45 3HD ARG 45 2.678 56.575 9.387 356 HE ARG 45 HE ARG 45 2.518 56.335 12.255 357 1HH1 ARG 45 2HH1 ARG 45 3.895 58.083 9.577 358 2HH1 ARG 45 1HH1 ARG 45 5.255 58.659 10.485 359 1HH2 ARG 45 2HH2 ARG 45 4.303 57.088 13.459 360 2HH2 ARG 45 1HH2 ARG 45 5.485 58.092 12.692 361 H VAL 46 H VAL 46 2.413 57.350 6.382 362 HA VAL 46 HA VAL 46 2.931 59.404 4.567 363 HB VAL 46 HB VAL 46 4.256 57.758 3.300 364 1HG1 VAL 46 1HG1 VAL 46 5.772 57.103 5.144 365 2HG1 VAL 46 2HG1 VAL 46 5.266 58.792 5.232 366 3HG1 VAL 46 3HG1 VAL 46 4.532 57.593 6.299 367 1HG2 VAL 46 1HG2 VAL 46 3.147 55.726 5.234 368 2HG2 VAL 46 2HG2 VAL 46 2.687 55.865 3.536 369 3HG2 VAL 46 3HG2 VAL 46 4.342 55.434 3.970 370 H THR 47 H THR 47 0.666 56.764 4.421 371 HA THR 47 HA THR 47 0.183 56.710 1.657 372 HB THR 47 HB THR 47 -1.711 56.082 3.930 373 HG1 THR 47 1HG THR 47 -1.036 53.868 2.991 374 1HG2 THR 47 1HG2 THR 47 -3.216 56.165 2.225 375 2HG2 THR 47 2HG2 THR 47 -2.581 54.549 1.914 376 3HG2 THR 47 3HG2 THR 47 -1.987 55.925 0.984 377 H LEU 48 H LEU 48 -1.290 58.624 4.248 378 HA LEU 48 HA LEU 48 -2.078 60.639 2.332 379 1HB LEU 48 2HB LEU 48 -4.112 59.126 3.957 380 2HB LEU 48 3HB LEU 48 -4.438 60.659 3.153 381 HG LEU 48 HG LEU 48 -3.657 58.102 1.754 382 1HD1 LEU 48 1HD1 LEU 48 -5.898 58.051 2.844 383 2HD1 LEU 48 2HD1 LEU 48 -5.941 57.907 1.087 384 3HD1 LEU 48 3HD1 LEU 48 -6.353 59.440 1.857 385 1HD2 LEU 48 1HD2 LEU 48 -3.380 59.319 -0.079 386 2HD2 LEU 48 2HD2 LEU 48 -3.531 60.774 0.907 387 3HD2 LEU 48 3HD2 LEU 48 -4.957 60.079 0.136 388 H LYS 49 H LYS 49 -1.650 62.548 3.208 389 HA LYS 49 HA LYS 49 -1.344 62.744 6.108 390 1HB LYS 49 2HB LYS 49 0.538 63.561 4.880 391 2HB LYS 49 3HB LYS 49 -0.488 64.532 3.832 392 1HG LYS 49 2HG LYS 49 -0.749 66.182 5.382 393 2HG LYS 49 3HG LYS 49 -0.554 65.083 6.749 394 1HD LYS 49 2HD LYS 49 1.725 65.734 4.902 395 2HD LYS 49 3HD LYS 49 1.331 66.755 6.287 396 1HE LYS 49 2HE LYS 49 1.409 64.526 7.618 397 2HE LYS 49 3HE LYS 49 2.320 63.931 6.231 398 1HZ LYS 49 1HZ LYS 49 3.352 66.427 7.001 399 2HZ LYS 49 2HZ LYS 49 4.121 64.921 7.013 400 3HZ LYS 49 3HZ LYS 49 3.261 65.441 8.373 401 H LYS 50 H LYS 50 -2.709 63.835 7.379 402 HA LYS 50 HA LYS 50 -4.896 65.317 6.084 403 1HB LYS 50 2HB LYS 50 -5.211 63.247 7.701 404 2HB LYS 50 3HB LYS 50 -5.016 64.474 8.946 405 1HG LYS 50 2HG LYS 50 -6.945 65.026 6.763 406 2HG LYS 50 3HG LYS 50 -7.384 63.813 7.969 407 1HD LYS 50 2HD LYS 50 -7.446 65.344 9.684 408 2HD LYS 50 3HD LYS 50 -6.311 66.439 8.889 409 1HE LYS 50 2HE LYS 50 -8.277 67.597 8.638 410 2HE LYS 50 3HE LYS 50 -8.245 66.674 7.136 411 1HZ LYS 50 1HZ LYS 50 -9.516 65.298 9.321 412 2HZ LYS 50 2HZ LYS 50 -10.041 65.516 7.729 413 3HZ LYS 50 3HZ LYS 50 -10.303 66.729 8.879 414 H ARG 51 H ARG 51 -2.362 65.504 8.482 415 HA ARG 51 HA ARG 51 -3.056 67.782 9.876 416 1HB ARG 51 2HB ARG 51 -1.083 66.345 10.353 417 2HB ARG 51 3HB ARG 51 -0.273 67.044 8.957 418 1HG ARG 51 2HG ARG 51 -0.316 69.235 9.996 419 2HG ARG 51 3HG ARG 51 -1.198 68.578 11.377 420 1HD ARG 51 2HD ARG 51 1.562 67.730 10.503 421 2HD ARG 51 3HD ARG 51 1.211 68.841 11.826 422 HE ARG 51 HE ARG 51 1.043 65.987 11.886 423 1HH1 ARG 51 2HH1 ARG 51 -0.257 68.923 13.234 424 2HH1 ARG 51 1HH1 ARG 51 -0.750 68.176 14.718 425 1HH2 ARG 51 2HH2 ARG 51 0.398 64.993 13.835 426 2HH2 ARG 51 1HH2 ARG 51 -0.376 65.942 15.060 427 H PHE 52 H PHE 52 -1.202 67.587 6.843 428 HA PHE 52 HA PHE 52 -1.502 70.479 6.504 429 1HB PHE 52 2HB PHE 52 0.291 68.413 5.259 430 2HB PHE 52 3HB PHE 52 0.053 69.976 4.483 431 HD1 PHE 52 1HD PHE 52 0.785 68.646 7.896 432 HD2 PHE 52 2HD PHE 52 1.618 71.583 4.929 433 HE1 PHE 52 1HE PHE 52 2.508 69.625 9.354 434 HE2 PHE 52 2HE PHE 52 3.343 72.566 6.382 435 HZ PHE 52 HZ PHE 52 3.790 71.588 8.598 436 H GLY 53 H GLY 53 -2.446 67.417 5.096 437 1HA GLY 53 2HA GLY 53 -4.276 66.997 3.726 438 2HA GLY 53 3HA GLY 53 -4.543 68.730 3.601 439 H LEU 54 H LEU 54 -2.976 69.935 2.216 440 HA LEU 54 HA LEU 54 -2.406 68.342 -0.182 441 1HB LEU 54 2HB LEU 54 -2.343 70.527 -1.344 442 2HB LEU 54 3HB LEU 54 -3.895 70.162 -0.595 443 HG LEU 54 HG LEU 54 -2.189 71.720 1.160 444 1HD1 LEU 54 1HD1 LEU 54 -1.925 73.680 -0.045 445 2HD1 LEU 54 2HD1 LEU 54 -3.086 73.198 -1.282 446 3HD1 LEU 54 3HD1 LEU 54 -1.494 72.441 -1.224 447 1HD2 LEU 54 1HD2 LEU 54 -4.726 71.268 1.172 448 2HD2 LEU 54 2HD2 LEU 54 -4.808 72.552 -0.034 449 3HD2 LEU 54 3HD2 LEU 54 -4.156 72.889 1.570 450 H VAL 55 H VAL 55 -0.556 69.556 -1.526 451 HA VAL 55 HA VAL 55 1.751 69.776 0.298 452 HB VAL 55 HB VAL 55 1.832 68.852 -2.575 453 1HG1 VAL 55 1HG1 VAL 55 4.063 67.893 -1.584 454 2HG1 VAL 55 2HG1 VAL 55 3.966 69.570 -2.125 455 3HG1 VAL 55 3HG1 VAL 55 3.849 69.186 -0.406 456 1HG2 VAL 55 1HG2 VAL 55 1.884 67.193 -0.056 457 2HG2 VAL 55 2HG2 VAL 55 0.557 67.268 -1.215 458 3HG2 VAL 55 3HG2 VAL 55 2.111 66.590 -1.698 459 HA PRO 56 HA PRO 56 1.264 73.831 -1.935 460 1HB PRO 56 2HB PRO 56 1.607 75.366 0.278 461 2HB PRO 56 3HB PRO 56 0.033 74.732 -0.217 462 1HG PRO 56 2HG PRO 56 1.925 73.694 1.858 463 2HG PRO 56 3HG PRO 56 0.162 73.861 1.935 464 1HD PRO 56 2HD PRO 56 1.379 71.497 1.431 465 2HD PRO 56 3HD PRO 56 -0.201 71.923 0.744 466 H GLY 57 H GLY 57 2.913 75.222 -2.533 467 1HA GLY 57 2HA GLY 57 5.593 74.393 -1.674 468 2HA GLY 57 3HA GLY 57 5.212 75.289 -3.137 469 H GLN 58 H GLN 58 4.157 77.508 -2.645 470 HA GLN 58 HA GLN 58 5.980 78.880 -0.841 471 1HB GLN 58 2HB GLN 58 5.335 80.894 -1.945 472 2HB GLN 58 3HB GLN 58 5.547 79.670 -3.191 473 1HG GLN 58 2HG GLN 58 3.599 80.632 -3.875 474 2HG GLN 58 3HG GLN 58 2.974 79.330 -2.864 475 1HE2 GLN 58 1HE2 GLN 58 1.052 80.655 -2.755 476 2HE2 GLN 58 2HE2 GLN 58 0.967 81.936 -1.601 Start of MODEL 4 1 1H HIS 2 H HIS 2 10.540 20.488 26.406 2 HA HIS 2 HA HIS 2 11.829 21.453 23.938 3 1HB HIS 2 2HB HIS 2 12.633 21.764 26.810 4 2HB HIS 2 3HB HIS 2 13.863 21.752 25.551 5 HD1 HIS 2 1HD HIS 2 14.484 24.036 24.880 6 HD2 HIS 2 2HD HIS 2 10.478 23.793 25.957 7 HE1 HIS 2 1HE HIS 2 13.570 26.362 24.601 8 H LEU 3 H LEU 3 10.841 18.758 24.694 9 HA LEU 3 HA LEU 3 13.149 17.145 25.232 10 1HB LEU 3 2HB LEU 3 10.439 16.348 24.178 11 2HB LEU 3 3HB LEU 3 11.669 15.252 24.808 12 HG LEU 3 HG LEU 3 11.349 16.836 26.951 13 1HD1 LEU 3 1HD1 LEU 3 9.187 17.540 25.241 14 2HD1 LEU 3 2HD1 LEU 3 9.541 18.112 26.872 15 3HD1 LEU 3 3HD1 LEU 3 8.543 16.676 26.638 16 1HD2 LEU 3 1HD2 LEU 3 9.801 14.402 26.105 17 2HD2 LEU 3 2HD2 LEU 3 9.664 15.097 27.721 18 3HD2 LEU 3 3HD2 LEU 3 11.220 14.494 27.148 19 H MET 4 H MET 4 14.331 15.884 23.828 20 HA MET 4 HA MET 4 14.144 16.658 21.009 21 1HB MET 4 2HB MET 4 16.345 15.627 22.752 22 2HB MET 4 3HB MET 4 16.438 15.366 21.015 23 1HG MET 4 2HG MET 4 17.609 17.329 21.302 24 2HG MET 4 3HG MET 4 16.007 17.897 20.835 25 1HE MET 4 1HE MET 4 15.740 20.462 22.234 26 2HE MET 4 2HE MET 4 17.210 20.647 23.190 27 3HE MET 4 3HE MET 4 17.298 19.986 21.557 28 H TYR 5 H TYR 5 12.389 14.664 22.341 29 HA TYR 5 HA TYR 5 12.475 12.678 20.291 30 1HB TYR 5 2HB TYR 5 12.860 10.725 21.664 31 2HB TYR 5 3HB TYR 5 14.225 11.821 21.839 32 HD1 TYR 5 1HD TYR 5 11.743 9.931 23.551 33 HD2 TYR 5 2HD TYR 5 14.219 13.374 23.898 34 HE1 TYR 5 1HE TYR 5 11.458 9.882 25.994 35 HE2 TYR 5 2HE TYR 5 13.941 13.335 26.341 36 HH TYR 5 HH TYR 5 12.961 12.346 28.068 37 H THR 6 H THR 6 10.458 12.037 19.890 38 HA THR 6 HA THR 6 8.326 12.903 21.630 39 HB THR 6 HB THR 6 6.814 12.072 19.892 40 HG1 THR 6 1HG THR 6 7.929 11.264 17.920 41 1HG2 THR 6 1HG2 THR 6 9.147 13.760 19.036 42 2HG2 THR 6 2HG2 THR 6 7.513 14.267 19.464 43 3HG2 THR 6 3HG2 THR 6 7.805 13.426 17.943 44 H LEU 7 H LEU 7 6.640 11.511 22.416 45 HA LEU 7 HA LEU 7 7.659 8.856 23.148 46 1HB LEU 7 2HB LEU 7 5.478 10.519 24.398 47 2HB LEU 7 3HB LEU 7 6.004 8.935 24.964 48 HG LEU 7 HG LEU 7 7.565 11.513 25.027 49 1HD1 LEU 7 1HD1 LEU 7 7.102 9.820 27.408 50 2HD1 LEU 7 2HD1 LEU 7 5.718 10.709 26.774 51 3HD1 LEU 7 3HD1 LEU 7 7.176 11.575 27.256 52 1HD2 LEU 7 1HD2 LEU 7 8.483 8.762 24.963 53 2HD2 LEU 7 2HD2 LEU 7 8.978 9.597 26.435 54 3HD2 LEU 7 3HD2 LEU 7 9.401 10.265 24.859 55 H GLY 8 H GLY 8 6.188 7.048 23.185 56 1HA GLY 8 2HA GLY 8 4.307 7.173 20.946 57 2HA GLY 8 3HA GLY 8 4.954 5.711 21.675 58 HA PRO 9 HA PRO 9 0.573 6.528 23.159 59 1HB PRO 9 2HB PRO 9 -0.487 4.206 22.233 60 2HB PRO 9 3HB PRO 9 -0.420 5.686 21.267 61 1HG PRO 9 2HG PRO 9 1.395 3.305 21.215 62 2HG PRO 9 3HG PRO 9 0.723 4.229 19.859 63 1HD PRO 9 2HD PRO 9 3.256 4.580 20.749 64 2HD PRO 9 3HD PRO 9 2.294 5.903 20.058 65 H ASP 10 H ASP 10 3.065 4.267 23.561 66 HA ASP 10 HA ASP 10 1.676 2.941 25.787 67 1HB ASP 10 2HB ASP 10 2.681 1.482 24.039 68 2HB ASP 10 3HB ASP 10 4.264 2.143 24.440 69 H GLY 11 H GLY 11 4.150 5.191 25.016 70 1HA GLY 11 2HA GLY 11 4.846 6.667 26.839 71 2HA GLY 11 3HA GLY 11 4.948 5.239 27.859 72 H LYS 12 H LYS 12 6.078 4.420 24.856 73 HA LYS 12 HA LYS 12 8.790 4.298 25.781 74 1HB LYS 12 2HB LYS 12 7.635 3.677 23.055 75 2HB LYS 12 3HB LYS 12 9.254 3.257 23.601 76 1HG LYS 12 2HG LYS 12 8.094 1.955 25.467 77 2HG LYS 12 3HG LYS 12 6.624 2.140 24.506 78 1HD LYS 12 2HD LYS 12 7.530 0.057 23.877 79 2HD LYS 12 3HD LYS 12 7.950 1.164 22.568 80 1HE LYS 12 2HE LYS 12 10.138 1.497 23.979 81 2HE LYS 12 3HE LYS 12 9.692 -0.071 24.652 82 1HZ LYS 12 1HZ LYS 12 9.419 -0.594 22.081 83 2HZ LYS 12 2HZ LYS 12 10.889 -0.784 22.894 84 3HZ LYS 12 3HZ LYS 12 10.608 0.605 21.971 85 H ARG 13 H ARG 13 10.616 5.086 24.414 86 HA ARG 13 HA ARG 13 10.027 7.802 23.443 87 1HB ARG 13 2HB ARG 13 12.543 8.126 23.860 88 2HB ARG 13 3HB ARG 13 11.486 8.023 25.263 89 1HG ARG 13 2HG ARG 13 12.652 5.482 24.327 90 2HG ARG 13 3HG ARG 13 13.773 6.653 25.023 91 1HD ARG 13 2HD ARG 13 13.164 5.792 26.997 92 2HD ARG 13 3HD ARG 13 11.685 6.727 26.788 93 HE ARG 13 HE ARG 13 10.556 4.763 26.563 94 1HH1 ARG 13 2HH1 ARG 13 13.912 4.195 25.832 95 2HH1 ARG 13 1HH1 ARG 13 13.716 2.484 25.645 96 1HH2 ARG 13 2HH2 ARG 13 10.285 2.512 26.318 97 2HH2 ARG 13 1HH2 ARG 13 11.652 1.528 25.920 98 H ILE 14 H ILE 14 10.874 8.515 21.503 99 HA ILE 14 HA ILE 14 12.443 6.650 19.894 100 HB ILE 14 HB ILE 14 9.845 7.845 18.919 101 1HG1 ILE 14 2HG1 ILE 14 10.589 4.947 19.367 102 2HG1 ILE 14 3HG1 ILE 14 9.602 5.903 20.467 103 1HG2 ILE 14 1HG2 ILE 14 11.827 6.060 17.511 104 2HG2 ILE 14 2HG2 ILE 14 10.275 6.592 16.865 105 3HG2 ILE 14 3HG2 ILE 14 11.550 7.769 17.176 106 1HD1 ILE 14 1HD1 ILE 14 8.946 4.963 17.702 107 2HD1 ILE 14 2HD1 ILE 14 8.076 4.672 19.210 108 3HD1 ILE 14 3HD1 ILE 14 8.057 6.275 18.475 109 H TYR 15 H TYR 15 14.191 7.925 19.648 110 HA TYR 15 HA TYR 15 14.292 10.683 19.517 111 1HB TYR 15 2HB TYR 15 16.095 8.505 18.539 112 2HB TYR 15 3HB TYR 15 16.445 10.169 18.086 113 HD1 TYR 15 1HD TYR 15 18.042 11.184 19.390 114 HD2 TYR 15 2HD TYR 15 15.408 8.378 21.207 115 HE1 TYR 15 1HE TYR 15 19.161 11.541 21.552 116 HE2 TYR 15 2HE TYR 15 16.519 8.729 23.373 117 HH TYR 15 HH TYR 15 19.468 10.159 23.716 118 H THR 16 H THR 16 13.159 11.926 18.177 119 HA THR 16 HA THR 16 13.519 11.616 15.316 120 HB THR 16 HB THR 16 11.502 10.237 15.852 121 HG1 THR 16 1HG THR 16 10.329 11.109 14.138 122 1HG2 THR 16 1HG2 THR 16 9.889 11.001 17.185 123 2HG2 THR 16 2HG2 THR 16 9.654 12.410 16.151 124 3HG2 THR 16 3HG2 THR 16 10.844 12.459 17.452 125 H LEU 17 H LEU 17 14.205 13.559 17.428 126 HA LEU 17 HA LEU 17 12.640 15.827 17.476 127 1HB LEU 17 2HB LEU 17 14.563 17.030 18.122 128 2HB LEU 17 3HB LEU 17 14.761 15.395 18.749 129 HG LEU 17 HG LEU 17 16.111 15.132 16.456 130 1HD1 LEU 17 1HD1 LEU 17 16.339 17.099 15.430 131 2HD1 LEU 17 2HD1 LEU 17 17.477 17.498 16.717 132 3HD1 LEU 17 3HD1 LEU 17 15.791 18.001 16.844 133 1HD2 LEU 17 1HD2 LEU 17 17.228 14.506 18.362 134 2HD2 LEU 17 2HD2 LEU 17 16.929 16.043 19.176 135 3HD2 LEU 17 3HD2 LEU 17 18.141 15.942 17.897 136 H LYS 18 H LYS 18 14.701 14.634 14.923 137 HA LYS 18 HA LYS 18 14.821 17.003 13.381 138 1HB LYS 18 2HB LYS 18 16.409 15.305 12.901 139 2HB LYS 18 3HB LYS 18 15.157 14.088 12.694 140 1HG LYS 18 2HG LYS 18 14.597 14.823 10.589 141 2HG LYS 18 3HG LYS 18 15.216 16.450 10.875 142 1HD LYS 18 2HD LYS 18 16.692 15.312 9.352 143 2HD LYS 18 3HD LYS 18 17.516 15.510 10.901 144 1HE LYS 18 2HE LYS 18 17.169 13.234 11.473 145 2HE LYS 18 3HE LYS 18 16.039 13.001 10.140 146 1HZ LYS 18 1HZ LYS 18 17.705 12.500 8.790 147 2HZ LYS 18 2HZ LYS 18 18.750 12.517 10.119 148 3HZ LYS 18 3HZ LYS 18 18.549 13.913 9.185 149 H LYS 19 H LYS 19 12.949 18.007 12.902 150 HA LYS 19 HA LYS 19 10.462 16.887 12.467 151 1HB LYS 19 2HB LYS 19 11.288 19.393 12.624 152 2HB LYS 19 3HB LYS 19 11.258 19.282 10.869 153 1HG LYS 19 2HG LYS 19 8.845 18.319 11.316 154 2HG LYS 19 3HG LYS 19 9.017 19.234 12.815 155 1HD LYS 19 2HD LYS 19 9.696 20.548 10.224 156 2HD LYS 19 3HD LYS 19 7.999 20.351 10.668 157 1HE LYS 19 2HE LYS 19 8.457 22.412 11.574 158 2HE LYS 19 3HE LYS 19 8.790 21.360 12.948 159 1HZ LYS 19 1HZ LYS 19 10.786 22.540 11.093 160 2HZ LYS 19 2HZ LYS 19 11.155 21.415 12.301 161 3HZ LYS 19 3HZ LYS 19 10.554 22.940 12.720 162 H VAL 20 H VAL 20 9.377 16.046 10.748 163 HA VAL 20 HA VAL 20 10.844 14.809 8.686 164 HB VAL 20 HB VAL 20 8.687 13.943 9.500 165 1HG1 VAL 20 1HG1 VAL 20 6.611 14.963 8.995 166 2HG1 VAL 20 2HG1 VAL 20 7.632 16.235 9.668 167 3HG1 VAL 20 3HG1 VAL 20 7.369 16.142 7.926 168 1HG2 VAL 20 1HG2 VAL 20 9.623 13.418 7.215 169 2HG2 VAL 20 2HG2 VAL 20 7.889 13.156 7.412 170 3HG2 VAL 20 3HG2 VAL 20 8.474 14.591 6.568 171 H THR 21 H THR 21 11.262 15.362 6.613 172 HA THR 21 HA THR 21 10.888 18.135 5.875 173 HB THR 21 HB THR 21 12.209 15.911 4.307 174 HG1 THR 21 1HG THR 21 13.093 17.599 6.360 175 1HG2 THR 21 1HG2 THR 21 12.502 17.397 2.673 176 2HG2 THR 21 2HG2 THR 21 13.231 18.540 3.801 177 3HG2 THR 21 3HG2 THR 21 11.485 18.532 3.559 178 H GLU 22 H GLU 22 10.338 15.092 4.087 179 HA GLU 22 HA GLU 22 8.545 16.294 2.248 180 1HB GLU 22 2HB GLU 22 9.340 13.478 2.888 181 2HB GLU 22 3HB GLU 22 7.964 13.772 1.833 182 1HG GLU 22 2HG GLU 22 10.687 14.944 1.348 183 2HG GLU 22 3HG GLU 22 10.164 13.396 0.687 184 H SER 23 H SER 23 6.467 16.771 2.475 185 HA SER 23 HA SER 23 5.046 15.831 4.841 186 1HB SER 23 2HB SER 23 4.142 17.851 2.778 187 2HB SER 23 3HB SER 23 3.435 17.573 4.370 188 HG SER 23 HG SER 23 5.985 18.648 3.759 189 H GLY 24 H GLY 24 4.990 15.540 1.358 190 1HA GLY 24 2HA GLY 24 4.086 13.570 0.330 191 2HA GLY 24 3HA GLY 24 2.914 13.473 1.637 192 H GLU 25 H GLU 25 1.284 15.236 1.730 193 HA GLU 25 HA GLU 25 0.752 16.500 -0.853 194 1HB GLU 25 2HB GLU 25 -0.424 14.237 -0.665 195 2HB GLU 25 3HB GLU 25 -1.413 14.977 0.585 196 1HG GLU 25 2HG GLU 25 -2.450 16.416 -0.902 197 2HG GLU 25 3HG GLU 25 -1.168 16.258 -2.102 198 H ILE 26 H ILE 26 -0.844 18.207 -0.741 199 HA ILE 26 HA ILE 26 -1.150 19.294 1.983 200 HB ILE 26 HB ILE 26 -0.751 20.850 -0.575 201 1HG1 ILE 26 2HG1 ILE 26 1.078 20.651 1.821 202 2HG1 ILE 26 3HG1 ILE 26 1.270 19.670 0.372 203 1HG2 ILE 26 1HG2 ILE 26 -2.106 22.213 0.722 204 2HG2 ILE 26 2HG2 ILE 26 -1.380 21.667 2.233 205 3HG2 ILE 26 3HG2 ILE 26 -0.485 22.745 1.163 206 1HD1 ILE 26 1HD1 ILE 26 2.404 21.294 -0.602 207 2HD1 ILE 26 2HD1 ILE 26 1.056 22.410 -0.380 208 3HD1 ILE 26 3HD1 ILE 26 2.278 22.242 0.880 209 H THR 27 H THR 27 -3.139 19.875 2.615 210 HA THR 27 HA THR 27 -5.294 19.749 0.609 211 HB THR 27 HB THR 27 -5.398 18.010 2.386 212 HG1 THR 27 1HG THR 27 -7.352 18.581 1.492 213 1HG2 THR 27 1HG2 THR 27 -5.175 18.486 4.556 214 2HG2 THR 27 2HG2 THR 27 -6.402 19.750 4.467 215 3HG2 THR 27 3HG2 THR 27 -4.723 20.120 4.077 216 H LYS 28 H LYS 28 -7.128 21.173 0.929 217 HA LYS 28 HA LYS 28 -6.627 23.535 2.579 218 1HB LYS 28 2HB LYS 28 -5.858 23.732 0.066 219 2HB LYS 28 3HB LYS 28 -7.577 23.960 -0.225 220 1HG LYS 28 2HG LYS 28 -7.644 25.930 1.046 221 2HG LYS 28 3HG LYS 28 -6.078 25.601 1.791 222 1HD LYS 28 2HD LYS 28 -5.492 27.179 0.225 223 2HD LYS 28 3HD LYS 28 -5.228 25.692 -0.689 224 1HE LYS 28 2HE LYS 28 -6.423 27.286 -2.055 225 2HE LYS 28 3HE LYS 28 -7.479 25.929 -1.668 226 1HZ LYS 28 1HZ LYS 28 -7.514 28.356 0.003 227 2HZ LYS 28 2HZ LYS 28 -8.730 27.204 -0.230 228 3HZ LYS 28 3HZ LYS 28 -8.377 28.317 -1.453 229 H SER 29 H SER 29 -8.574 24.986 2.639 230 HA SER 29 HA SER 29 -11.014 23.340 2.586 231 1HB SER 29 2HB SER 29 -10.400 25.764 4.295 232 2HB SER 29 3HB SER 29 -11.875 24.799 4.363 233 HG SER 29 HG SER 29 -10.832 23.618 5.741 234 H ALA 30 H ALA 30 -13.036 24.455 2.111 235 HA ALA 30 HA ALA 30 -12.635 26.541 0.078 236 1HB ALA 30 1HB ALA 30 -14.056 25.421 -1.206 237 2HB ALA 30 2HB ALA 30 -14.060 24.137 0.003 238 3HB ALA 30 3HB ALA 30 -15.278 25.411 0.064 239 H HIS 31 H HIS 31 -14.258 28.231 -0.097 240 HA HIS 31 HA HIS 31 -16.161 28.730 1.934 241 1HB HIS 31 2HB HIS 31 -13.790 29.147 3.010 242 2HB HIS 31 3HB HIS 31 -13.894 30.672 2.135 243 HD1 HIS 31 1HD HIS 31 -13.831 31.498 4.770 244 HD2 HIS 31 2HD HIS 31 -17.347 29.788 3.364 245 HE1 HIS 31 1HE HIS 31 -15.621 32.216 6.385 246 HA PRO 32 HA PRO 32 -16.484 31.115 -2.048 247 1HB PRO 32 2HB PRO 32 -19.005 30.287 -2.619 248 2HB PRO 32 3HB PRO 32 -17.565 29.383 -3.102 249 1HG PRO 32 2HG PRO 32 -19.392 28.935 -0.772 250 2HG PRO 32 3HG PRO 32 -18.682 27.747 -1.881 251 1HD PRO 32 2HD PRO 32 -17.679 28.214 0.589 252 2HD PRO 32 3HD PRO 32 -16.655 27.747 -0.784 253 H ALA 33 H ALA 33 -18.399 30.789 0.835 254 HA ALA 33 HA ALA 33 -19.640 33.412 0.323 255 1HB ALA 33 1HB ALA 33 -21.241 31.590 0.651 256 2HB ALA 33 2HB ALA 33 -20.532 31.252 2.231 257 3HB ALA 33 3HB ALA 33 -21.348 32.789 1.942 258 H ARG 34 H ARG 34 -18.719 35.050 1.350 259 HA ARG 34 HA ARG 34 -18.275 35.120 4.121 260 1HB ARG 34 2HB ARG 34 -15.796 35.267 4.137 261 2HB ARG 34 3HB ARG 34 -16.392 33.667 3.714 262 1HG ARG 34 2HG ARG 34 -16.073 34.331 1.296 263 2HG ARG 34 3HG ARG 34 -15.196 35.738 1.899 264 1HD ARG 34 2HD ARG 34 -14.431 33.051 2.919 265 2HD ARG 34 3HD ARG 34 -13.956 33.487 1.278 266 HE ARG 34 HE ARG 34 -12.860 34.506 3.719 267 1HH1 ARG 34 2HH1 ARG 34 -13.462 35.219 0.366 268 2HH1 ARG 34 1HH1 ARG 34 -12.173 36.372 0.245 269 1HH2 ARG 34 2HH2 ARG 34 -11.162 36.020 3.573 270 2HH2 ARG 34 1HH2 ARG 34 -10.865 36.825 2.069 271 H PHE 35 H PHE 35 -18.287 37.193 4.745 272 HA PHE 35 HA PHE 35 -18.153 39.243 2.689 273 1HB PHE 35 2HB PHE 35 -19.144 39.142 5.515 274 2HB PHE 35 3HB PHE 35 -18.794 40.700 4.772 275 HD1 PHE 35 1HD PHE 35 -20.847 37.644 4.468 276 HD2 PHE 35 2HD PHE 35 -20.281 41.678 3.235 277 HE1 PHE 35 1HE PHE 35 -23.062 37.624 3.398 278 HE2 PHE 35 2HE PHE 35 -22.496 41.665 2.164 279 HZ PHE 35 HZ PHE 35 -23.890 39.636 2.245 280 H SER 36 H SER 36 -16.728 38.720 5.914 281 HA SER 36 HA SER 36 -14.127 39.469 5.118 282 1HB SER 36 2HB SER 36 -15.901 41.615 6.173 283 2HB SER 36 3HB SER 36 -14.236 41.582 6.753 284 HG SER 36 HG SER 36 -13.595 41.567 4.518 285 HA PRO 37 HA PRO 37 -14.641 37.171 9.126 286 1HB PRO 37 2HB PRO 37 -13.002 35.121 8.434 287 2HB PRO 37 3HB PRO 37 -14.727 35.144 8.048 288 1HG PRO 37 2HG PRO 37 -12.387 35.824 6.309 289 2HG PRO 37 3HG PRO 37 -13.836 34.883 5.915 290 1HD PRO 37 2HD PRO 37 -13.541 37.475 5.190 291 2HD PRO 37 3HD PRO 37 -15.122 36.767 5.580 292 H ASP 38 H ASP 38 -11.665 37.427 7.176 293 HA ASP 38 HA ASP 38 -9.560 38.116 7.693 294 1HB ASP 38 2HB ASP 38 -10.849 40.092 8.609 295 2HB ASP 38 3HB ASP 38 -10.740 39.330 10.195 296 H ASP 39 H ASP 39 -10.960 35.676 8.987 297 HA ASP 39 HA ASP 39 -9.545 35.217 11.425 298 1HB ASP 39 2HB ASP 39 -10.487 33.004 11.361 299 2HB ASP 39 3HB ASP 39 -11.724 34.137 10.825 300 H LYS 40 H LYS 40 -8.817 34.822 8.085 301 HA LYS 40 HA LYS 40 -6.737 32.865 8.465 302 1HB LYS 40 2HB LYS 40 -7.219 34.626 6.059 303 2HB LYS 40 3HB LYS 40 -6.299 33.127 6.110 304 1HG LYS 40 2HG LYS 40 -8.196 32.241 5.308 305 2HG LYS 40 3HG LYS 40 -8.688 32.255 7.003 306 1HD LYS 40 2HD LYS 40 -10.079 34.064 6.726 307 2HD LYS 40 3HD LYS 40 -9.169 34.687 5.347 308 1HE LYS 40 2HE LYS 40 -10.677 32.102 5.171 309 2HE LYS 40 3HE LYS 40 -11.492 33.647 4.932 310 1HZ LYS 40 1HZ LYS 40 -9.673 34.101 3.238 311 2HZ LYS 40 2HZ LYS 40 -10.857 32.971 2.809 312 3HZ LYS 40 3HZ LYS 40 -9.330 32.445 3.314 313 H TYR 41 H TYR 41 -6.949 36.035 9.267 314 HA TYR 41 HA TYR 41 -4.668 37.288 8.351 315 1HB TYR 41 2HB TYR 41 -4.878 38.780 10.171 316 2HB TYR 41 3HB TYR 41 -6.516 38.229 9.841 317 HD1 TYR 41 1HD TYR 41 -4.364 38.989 12.400 318 HD2 TYR 41 2HD TYR 41 -7.036 35.901 11.204 319 HE1 TYR 41 1HE TYR 41 -4.593 38.286 14.747 320 HE2 TYR 41 2HE TYR 41 -7.273 35.190 13.548 321 HH TYR 41 HH TYR 41 -6.032 37.069 16.172 322 H SER 42 H SER 42 -4.986 34.766 10.733 323 HA SER 42 HA SER 42 -2.179 35.011 11.508 324 1HB SER 42 2HB SER 42 -4.237 34.517 13.090 325 2HB SER 42 3HB SER 42 -3.964 32.856 12.566 326 HG SER 42 HG SER 42 -2.794 33.704 14.517 327 H ARG 43 H ARG 43 -0.724 33.236 11.364 328 HA ARG 43 HA ARG 43 -1.092 31.688 8.948 329 1HB ARG 43 2HB ARG 43 1.209 32.057 10.857 330 2HB ARG 43 3HB ARG 43 1.263 30.878 9.553 331 1HG ARG 43 2HG ARG 43 0.649 33.763 9.026 332 2HG ARG 43 3HG ARG 43 2.308 33.173 9.147 333 1HD ARG 43 2HD ARG 43 0.268 31.959 7.299 334 2HD ARG 43 3HD ARG 43 1.324 33.286 6.818 335 HE ARG 43 HE ARG 43 2.052 30.521 7.161 336 1HH1 ARG 43 2HH1 ARG 43 3.195 33.808 7.061 337 2HH1 ARG 43 1HH1 ARG 43 4.817 33.369 6.640 338 1HH2 ARG 43 2HH2 ARG 43 4.184 29.931 6.606 339 2HH2 ARG 43 1HH2 ARG 43 5.379 31.163 6.381 340 H GLN 44 H GLN 44 -1.284 31.209 12.368 341 HA GLN 44 HA GLN 44 -0.801 28.507 12.651 342 1HB GLN 44 2HB GLN 44 -2.060 28.590 14.650 343 2HB GLN 44 3HB GLN 44 -1.373 30.197 14.458 344 1HG GLN 44 2HG GLN 44 -3.533 30.945 13.494 345 2HG GLN 44 3HG GLN 44 -4.198 29.355 13.863 346 1HE2 GLN 44 1HE2 GLN 44 -5.655 29.866 15.389 347 2HE2 GLN 44 2HE2 GLN 44 -5.274 30.612 16.899 348 H ARG 45 H ARG 45 -3.543 30.114 11.216 349 HA ARG 45 HA ARG 45 -5.470 28.139 11.265 350 1HB ARG 45 2HB ARG 45 -6.014 30.299 10.398 351 2HB ARG 45 3HB ARG 45 -4.807 30.160 9.125 352 1HG ARG 45 2HG ARG 45 -6.105 28.378 8.080 353 2HG ARG 45 3HG ARG 45 -7.312 28.506 9.362 354 1HD ARG 45 2HD ARG 45 -8.131 30.495 8.581 355 2HD ARG 45 3HD ARG 45 -6.596 30.965 7.852 356 HE ARG 45 HE ARG 45 -8.728 29.562 6.590 357 1HH1 ARG 45 2HH1 ARG 45 -5.263 29.893 6.668 358 2HH1 ARG 45 1HH1 ARG 45 -5.046 29.377 5.029 359 1HH2 ARG 45 2HH2 ARG 45 -8.455 28.881 4.430 360 2HH2 ARG 45 1HH2 ARG 45 -6.862 28.803 3.756 361 H VAL 46 H VAL 46 -2.564 28.335 9.346 362 HA VAL 46 HA VAL 46 -3.294 26.265 7.503 363 HB VAL 46 HB VAL 46 -0.572 27.401 8.160 364 1HG1 VAL 46 1HG1 VAL 46 -0.344 25.218 7.161 365 2HG1 VAL 46 2HG1 VAL 46 -1.483 25.645 5.883 366 3HG1 VAL 46 3HG1 VAL 46 0.086 26.447 5.973 367 1HG2 VAL 46 1HG2 VAL 46 -2.702 28.654 6.944 368 2HG2 VAL 46 2HG2 VAL 46 -1.005 29.109 6.786 369 3HG2 VAL 46 3HG2 VAL 46 -1.752 28.060 5.582 370 H THR 47 H THR 47 -1.360 26.440 10.459 371 HA THR 47 HA THR 47 -0.238 23.913 10.471 372 HB THR 47 HB THR 47 -1.310 24.997 13.041 373 HG1 THR 47 1HG THR 47 0.111 26.678 13.017 374 1HG2 THR 47 1HG2 THR 47 1.537 24.350 12.706 375 2HG2 THR 47 2HG2 THR 47 0.437 23.001 12.428 376 3HG2 THR 47 3HG2 THR 47 0.405 23.863 13.965 377 H LEU 48 H LEU 48 -1.178 21.999 10.254 378 HA LEU 48 HA LEU 48 -3.917 21.500 10.504 379 1HB LEU 48 2HB LEU 48 -1.984 20.154 9.364 380 2HB LEU 48 3HB LEU 48 -1.919 19.321 10.916 381 HG LEU 48 HG LEU 48 -4.539 19.529 9.508 382 1HD1 LEU 48 1HD1 LEU 48 -2.318 18.545 8.175 383 2HD1 LEU 48 2HD1 LEU 48 -4.008 18.220 7.794 384 3HD1 LEU 48 3HD1 LEU 48 -3.108 17.109 8.827 385 1HD2 LEU 48 1HD2 LEU 48 -3.250 17.360 11.159 386 2HD2 LEU 48 2HD2 LEU 48 -4.919 17.398 10.591 387 3HD2 LEU 48 3HD2 LEU 48 -4.363 18.582 11.774 388 H LYS 49 H LYS 49 -5.128 21.469 12.266 389 HA LYS 49 HA LYS 49 -4.105 21.453 14.892 390 1HB LYS 49 2HB LYS 49 -6.423 22.244 13.903 391 2HB LYS 49 3HB LYS 49 -6.920 20.615 14.341 392 1HG LYS 49 2HG LYS 49 -6.621 20.992 16.606 393 2HG LYS 49 3HG LYS 49 -5.544 22.365 16.336 394 1HD LYS 49 2HD LYS 49 -7.445 23.661 15.465 395 2HD LYS 49 3HD LYS 49 -8.512 22.292 15.789 396 1HE LYS 49 2HE LYS 49 -7.797 22.442 18.195 397 2HE LYS 49 3HE LYS 49 -6.984 23.952 17.785 398 1HZ LYS 49 1HZ LYS 49 -9.190 24.344 18.691 399 2HZ LYS 49 2HZ LYS 49 -9.887 23.415 17.462 400 3HZ LYS 49 3HZ LYS 49 -9.104 24.866 17.084 401 H LYS 50 H LYS 50 -3.299 19.812 16.003 402 HA LYS 50 HA LYS 50 -3.685 17.091 15.144 403 1HB LYS 50 2HB LYS 50 -2.110 18.381 17.359 404 2HB LYS 50 3HB LYS 50 -2.261 16.633 17.237 405 1HG LYS 50 2HG LYS 50 -1.229 18.344 14.992 406 2HG LYS 50 3HG LYS 50 -0.187 17.640 16.231 407 1HD LYS 50 2HD LYS 50 -0.665 15.450 15.545 408 2HD LYS 50 3HD LYS 50 -2.089 15.953 14.632 409 1HE LYS 50 2HE LYS 50 -0.502 15.548 12.979 410 2HE LYS 50 3HE LYS 50 -0.429 17.296 13.196 411 1HZ LYS 50 1HZ LYS 50 1.381 15.579 14.748 412 2HZ LYS 50 2HZ LYS 50 1.597 17.175 14.233 413 3HZ LYS 50 3HZ LYS 50 1.742 15.904 13.127 414 H ARG 51 H ARG 51 -5.013 19.201 17.548 415 HA ARG 51 HA ARG 51 -5.949 17.446 19.462 416 1HB ARG 51 2HB ARG 51 -6.136 19.925 19.560 417 2HB ARG 51 3HB ARG 51 -7.436 19.844 18.378 418 1HG ARG 51 2HG ARG 51 -8.476 20.057 20.474 419 2HG ARG 51 3HG ARG 51 -8.661 18.362 20.017 420 1HD ARG 51 2HD ARG 51 -6.298 19.166 21.644 421 2HD ARG 51 3HD ARG 51 -7.871 19.050 22.433 422 HE ARG 51 HE ARG 51 -7.383 16.722 20.915 423 1HH1 ARG 51 2HH1 ARG 51 -6.367 18.329 23.832 424 2HH1 ARG 51 1HH1 ARG 51 -5.929 16.861 24.643 425 1HH2 ARG 51 2HH2 ARG 51 -6.810 14.784 21.972 426 2HH2 ARG 51 1HH2 ARG 51 -6.181 14.845 23.583 427 H PHE 52 H PHE 52 -7.891 18.658 16.721 428 HA PHE 52 HA PHE 52 -10.015 16.888 17.023 429 1HB PHE 52 2HB PHE 52 -8.962 18.524 14.759 430 2HB PHE 52 3HB PHE 52 -10.192 17.313 14.412 431 HD1 PHE 52 1HD PHE 52 -12.411 17.464 15.510 432 HD2 PHE 52 2HD PHE 52 -9.504 20.555 15.835 433 HE1 PHE 52 1HE PHE 52 -14.164 19.030 16.239 434 HE2 PHE 52 2HE PHE 52 -11.251 22.126 16.566 435 HZ PHE 52 HZ PHE 52 -13.584 21.365 16.769 436 H GLY 53 H GLY 53 -9.724 14.746 17.196 437 1HA GLY 53 2HA GLY 53 -8.533 13.364 14.902 438 2HA GLY 53 3HA GLY 53 -7.884 13.018 16.499 439 H LEU 54 H LEU 54 -11.268 13.698 16.033 440 HA LEU 54 HA LEU 54 -11.900 11.004 16.953 441 1HB LEU 54 2HB LEU 54 -13.315 13.614 16.882 442 2HB LEU 54 3HB LEU 54 -14.294 12.149 16.844 443 HG LEU 54 HG LEU 54 -14.070 13.056 19.109 444 1HD1 LEU 54 1HD1 LEU 54 -12.565 10.463 18.832 445 2HD1 LEU 54 2HD1 LEU 54 -14.315 10.613 18.683 446 3HD1 LEU 54 3HD1 LEU 54 -13.524 11.006 20.208 447 1HD2 LEU 54 1HD2 LEU 54 -11.132 12.455 18.800 448 2HD2 LEU 54 2HD2 LEU 54 -11.937 13.037 20.257 449 3HD2 LEU 54 3HD2 LEU 54 -11.844 14.067 18.828 450 H VAL 55 H VAL 55 -13.391 9.646 15.895 451 HA VAL 55 HA VAL 55 -14.029 10.337 13.113 452 HB VAL 55 HB VAL 55 -13.538 7.880 12.562 453 1HG1 VAL 55 1HG1 VAL 55 -11.537 8.503 11.674 454 2HG1 VAL 55 2HG1 VAL 55 -12.135 10.098 12.136 455 3HG1 VAL 55 3HG1 VAL 55 -10.982 9.254 13.170 456 1HG2 VAL 55 1HG2 VAL 55 -11.551 7.993 14.779 457 2HG2 VAL 55 2HG2 VAL 55 -13.200 7.476 15.135 458 3HG2 VAL 55 3HG2 VAL 55 -12.236 6.595 13.950 459 HA PRO 56 HA PRO 56 -17.676 8.626 15.450 460 1HB PRO 56 2HB PRO 56 -19.389 10.590 14.694 461 2HB PRO 56 3HB PRO 56 -18.349 10.719 16.117 462 1HG PRO 56 2HG PRO 56 -17.960 11.861 13.378 463 2HG PRO 56 3HG PRO 56 -17.683 12.620 14.957 464 1HD PRO 56 2HD PRO 56 -15.673 11.597 13.460 465 2HD PRO 56 3HD PRO 56 -15.641 11.589 15.235 466 H GLY 57 H GLY 57 -17.033 9.649 12.191 467 1HA GLY 57 2HA GLY 57 -19.097 7.758 11.249 468 2HA GLY 57 3HA GLY 57 -18.851 9.311 10.465 469 H GLN 58 H GLN 58 -17.052 9.630 9.148 470 HA GLN 58 HA GLN 58 -15.439 7.232 8.591 471 1HB GLN 58 2HB GLN 58 -17.277 7.664 6.894 472 2HB GLN 58 3HB GLN 58 -16.412 9.133 6.460 473 1HG GLN 58 2HG GLN 58 -15.138 6.417 6.380 474 2HG GLN 58 3HG GLN 58 -16.005 7.109 5.011 475 1HE2 GLN 58 1HE2 GLN 58 -15.247 9.255 4.282 476 2HE2 GLN 58 2HE2 GLN 58 -13.550 9.574 4.328 Start of MODEL 5 1 1H HIS 2 H HIS 2 9.909 20.220 25.877 2 HA HIS 2 HA HIS 2 12.046 21.483 24.303 3 1HB HIS 2 2HB HIS 2 13.323 21.689 26.505 4 2HB HIS 2 3HB HIS 2 12.007 22.830 26.245 5 HD1 HIS 2 1HD HIS 2 10.025 22.726 27.840 6 HD2 HIS 2 2HD HIS 2 12.817 19.716 28.483 7 HE1 HIS 2 1HE HIS 2 9.378 21.664 30.026 8 H LEU 3 H LEU 3 10.838 18.770 24.371 9 HA LEU 3 HA LEU 3 13.027 17.147 25.427 10 1HB LEU 3 2HB LEU 3 10.602 16.070 24.042 11 2HB LEU 3 3HB LEU 3 11.620 15.297 25.254 12 HG LEU 3 HG LEU 3 10.610 17.356 26.692 13 1HD1 LEU 3 1HD1 LEU 3 8.037 16.898 25.961 14 2HD1 LEU 3 2HD1 LEU 3 8.838 16.945 24.392 15 3HD1 LEU 3 3HD1 LEU 3 8.975 18.315 25.494 16 1HD2 LEU 3 1HD2 LEU 3 9.224 15.734 27.756 17 2HD2 LEU 3 2HD2 LEU 3 10.687 14.909 27.217 18 3HD2 LEU 3 3HD2 LEU 3 9.186 14.729 26.307 19 H MET 4 H MET 4 14.296 15.805 24.164 20 HA MET 4 HA MET 4 14.377 16.521 21.324 21 1HB MET 4 2HB MET 4 16.395 15.496 23.278 22 2HB MET 4 3HB MET 4 16.637 15.192 21.564 23 1HG MET 4 2HG MET 4 17.756 17.145 21.717 24 2HG MET 4 3HG MET 4 16.144 17.795 21.430 25 1HE MET 4 1HE MET 4 17.626 16.333 25.016 26 2HE MET 4 2HE MET 4 18.844 16.857 23.852 27 3HE MET 4 3HE MET 4 18.549 17.808 25.308 28 H TYR 5 H TYR 5 12.477 14.585 22.539 29 HA TYR 5 HA TYR 5 12.707 12.551 20.549 30 1HB TYR 5 2HB TYR 5 13.017 10.631 21.928 31 2HB TYR 5 3HB TYR 5 14.298 11.762 22.347 32 HD1 TYR 5 1HD TYR 5 13.914 13.249 24.417 33 HD2 TYR 5 2HD TYR 5 11.642 9.748 23.590 34 HE1 TYR 5 1HE TYR 5 13.251 13.128 26.783 35 HE2 TYR 5 2HE TYR 5 10.971 9.618 25.954 36 HH TYR 5 HH TYR 5 12.432 10.960 28.355 37 H THR 6 H THR 6 10.741 11.786 20.041 38 HA THR 6 HA THR 6 8.456 12.827 21.452 39 HB THR 6 HB THR 6 7.138 11.608 19.702 40 HG1 THR 6 1HG THR 6 8.564 10.878 17.891 41 1HG2 THR 6 1HG2 THR 6 9.219 13.652 19.102 42 2HG2 THR 6 2HG2 THR 6 7.461 13.783 19.056 43 3HG2 THR 6 3HG2 THR 6 8.319 12.958 17.755 44 H LEU 7 H LEU 7 6.593 11.391 21.988 45 HA LEU 7 HA LEU 7 7.564 8.914 23.251 46 1HB LEU 7 2HB LEU 7 5.279 10.717 24.035 47 2HB LEU 7 3HB LEU 7 5.678 9.193 24.827 48 HG LEU 7 HG LEU 7 7.301 11.732 24.816 49 1HD1 LEU 7 1HD1 LEU 7 6.930 11.714 27.187 50 2HD1 LEU 7 2HD1 LEU 7 6.097 10.163 27.088 51 3HD1 LEU 7 3HD1 LEU 7 5.372 11.600 26.367 52 1HD2 LEU 7 1HD2 LEU 7 9.101 10.425 24.973 53 2HD2 LEU 7 2HD2 LEU 7 8.129 8.966 25.169 54 3HD2 LEU 7 3HD2 LEU 7 8.498 9.975 26.568 55 H GLY 8 H GLY 8 6.172 7.078 23.274 56 1HA GLY 8 2HA GLY 8 4.491 6.945 20.882 57 2HA GLY 8 3HA GLY 8 5.117 5.574 21.784 58 HA PRO 9 HA PRO 9 0.624 6.060 22.816 59 1HB PRO 9 2HB PRO 9 0.034 3.425 22.537 60 2HB PRO 9 3HB PRO 9 0.012 4.564 21.185 61 1HG PRO 9 2HG PRO 9 2.141 2.617 21.987 62 2HG PRO 9 3HG PRO 9 1.522 2.994 20.369 63 1HD PRO 9 2HD PRO 9 3.844 4.016 21.316 64 2HD PRO 9 3HD PRO 9 2.799 4.905 20.189 65 H ASP 10 H ASP 10 3.045 3.690 23.819 66 HA ASP 10 HA ASP 10 1.756 3.542 26.461 67 1HB ASP 10 2HB ASP 10 2.136 1.406 25.128 68 2HB ASP 10 3HB ASP 10 3.858 1.654 25.401 69 H GLY 11 H GLY 11 3.589 5.655 25.396 70 1HA GLY 11 2HA GLY 11 5.137 7.029 26.431 71 2HA GLY 11 3HA GLY 11 5.237 5.863 27.743 72 H LYS 12 H LYS 12 5.765 5.052 24.373 73 HA LYS 12 HA LYS 12 8.441 4.134 25.039 74 1HB LYS 12 2HB LYS 12 6.669 3.813 22.624 75 2HB LYS 12 3HB LYS 12 8.357 3.317 22.608 76 1HG LYS 12 2HG LYS 12 6.519 2.328 24.746 77 2HG LYS 12 3HG LYS 12 6.522 1.579 23.148 78 1HD LYS 12 2HD LYS 12 8.919 1.140 23.357 79 2HD LYS 12 3HD LYS 12 8.922 1.899 24.951 80 1HE LYS 12 2HE LYS 12 7.058 -0.366 24.388 81 2HE LYS 12 3HE LYS 12 8.755 -0.698 24.728 82 1HZ LYS 12 1HZ LYS 12 6.687 0.395 26.494 83 2HZ LYS 12 2HZ LYS 12 8.288 0.880 26.740 84 3HZ LYS 12 3HZ LYS 12 7.880 -0.760 26.818 85 H ARG 13 H ARG 13 10.042 5.565 24.954 86 HA ARG 13 HA ARG 13 9.979 8.021 23.621 87 1HB ARG 13 2HB ARG 13 12.496 7.963 23.944 88 2HB ARG 13 3HB ARG 13 11.524 7.779 25.397 89 1HG ARG 13 2HG ARG 13 12.073 5.207 24.255 90 2HG ARG 13 3HG ARG 13 13.572 6.110 24.482 91 1HD ARG 13 2HD ARG 13 13.325 5.061 26.525 92 2HD ARG 13 3HD ARG 13 12.595 6.637 26.827 93 HE ARG 13 HE ARG 13 10.550 5.616 27.064 94 1HH1 ARG 13 2HH1 ARG 13 12.829 3.368 25.694 95 2HH1 ARG 13 1HH1 ARG 13 11.779 2.000 25.863 96 1HH2 ARG 13 2HH2 ARG 13 9.159 3.822 27.291 97 2HH2 ARG 13 1HH2 ARG 13 9.692 2.259 26.771 98 H ILE 14 H ILE 14 10.889 8.751 21.703 99 HA ILE 14 HA ILE 14 12.041 6.797 19.869 100 HB ILE 14 HB ILE 14 9.613 8.444 19.153 101 1HG1 ILE 14 2HG1 ILE 14 9.961 5.443 19.319 102 2HG1 ILE 14 3HG1 ILE 14 9.137 6.428 20.522 103 1HG2 ILE 14 1HG2 ILE 14 9.757 7.304 16.975 104 2HG2 ILE 14 2HG2 ILE 14 11.156 8.327 17.294 105 3HG2 ILE 14 3HG2 ILE 14 11.284 6.578 17.476 106 1HD1 ILE 14 1HD1 ILE 14 7.268 6.071 19.397 107 2HD1 ILE 14 2HD1 ILE 14 7.924 7.076 18.104 108 3HD1 ILE 14 3HD1 ILE 14 8.147 5.327 18.061 109 H TYR 15 H TYR 15 13.951 7.790 19.581 110 HA TYR 15 HA TYR 15 14.430 10.539 19.617 111 1HB TYR 15 2HB TYR 15 16.042 8.519 18.054 112 2HB TYR 15 3HB TYR 15 16.605 10.039 18.739 113 HD1 TYR 15 1HD TYR 15 16.296 6.542 19.255 114 HD2 TYR 15 2HD TYR 15 16.487 10.257 21.319 115 HE1 TYR 15 1HE TYR 15 16.966 5.361 21.307 116 HE2 TYR 15 2HE TYR 15 17.157 9.088 23.375 117 HH TYR 15 HH TYR 15 18.172 5.867 23.410 118 H THR 16 H THR 16 13.367 11.914 18.333 119 HA THR 16 HA THR 16 13.745 11.688 15.458 120 HB THR 16 HB THR 16 11.580 10.528 15.932 121 HG1 THR 16 1HG THR 16 11.360 12.980 14.489 122 1HG2 THR 16 1HG2 THR 16 10.850 11.854 17.845 123 2HG2 THR 16 2HG2 THR 16 9.643 11.908 16.560 124 3HG2 THR 16 3HG2 THR 16 10.716 13.283 16.820 125 H LEU 17 H LEU 17 14.561 13.459 17.717 126 HA LEU 17 HA LEU 17 13.264 15.892 17.772 127 1HB LEU 17 2HB LEU 17 15.198 16.797 18.678 128 2HB LEU 17 3HB LEU 17 15.311 15.085 19.083 129 HG LEU 17 HG LEU 17 16.768 16.414 16.800 130 1HD1 LEU 17 1HD1 LEU 17 17.762 17.298 18.715 131 2HD1 LEU 17 2HD1 LEU 17 18.763 15.900 18.320 132 3HD1 LEU 17 3HD1 LEU 17 17.576 15.795 19.620 133 1HD2 LEU 17 1HD2 LEU 17 16.424 14.106 16.323 134 2HD2 LEU 17 2HD2 LEU 17 16.859 13.638 17.966 135 3HD2 LEU 17 3HD2 LEU 17 18.088 14.285 16.879 136 H LYS 18 H LYS 18 13.188 17.685 16.507 137 HA LYS 18 HA LYS 18 13.536 17.463 13.750 138 1HB LYS 18 2HB LYS 18 13.386 19.950 15.463 139 2HB LYS 18 3HB LYS 18 13.234 19.933 13.712 140 1HG LYS 18 2HG LYS 18 11.332 18.172 14.271 141 2HG LYS 18 3HG LYS 18 11.316 19.061 15.795 142 1HD LYS 18 2HD LYS 18 11.263 20.536 13.190 143 2HD LYS 18 3HD LYS 18 9.781 19.831 13.842 144 1HE LYS 18 2HE LYS 18 11.490 21.507 15.618 145 2HE LYS 18 3HE LYS 18 10.478 22.301 14.413 146 1HZ LYS 18 1HZ LYS 18 9.664 20.674 16.729 147 2HZ LYS 18 2HZ LYS 18 8.633 20.823 15.397 148 3HZ LYS 18 3HZ LYS 18 9.113 22.201 16.253 149 H LYS 19 H LYS 19 15.717 18.589 16.246 150 HA LYS 19 HA LYS 19 17.609 19.892 14.645 151 1HB LYS 19 2HB LYS 19 17.417 19.776 17.219 152 2HB LYS 19 3HB LYS 19 18.349 18.291 17.082 153 1HG LYS 19 2HG LYS 19 19.907 19.983 17.541 154 2HG LYS 19 3HG LYS 19 20.069 19.647 15.815 155 1HD LYS 19 2HD LYS 19 19.011 21.630 15.206 156 2HD LYS 19 3HD LYS 19 18.251 21.823 16.788 157 1HE LYS 19 2HE LYS 19 21.228 21.971 16.360 158 2HE LYS 19 3HE LYS 19 20.174 23.382 16.278 159 1HZ LYS 19 1HZ LYS 19 19.973 23.451 18.489 160 2HZ LYS 19 2HZ LYS 19 21.351 22.471 18.519 161 3HZ LYS 19 3HZ LYS 19 19.815 21.774 18.645 162 H VAL 20 H VAL 20 19.280 19.214 13.413 163 HA VAL 20 HA VAL 20 19.800 16.317 13.287 164 HB VAL 20 HB VAL 20 18.480 17.100 11.326 165 1HG1 VAL 20 1HG1 VAL 20 20.945 18.598 10.483 166 2HG1 VAL 20 2HG1 VAL 20 19.342 18.619 9.748 167 3HG1 VAL 20 3HG1 VAL 20 19.604 19.381 11.318 168 1HG2 VAL 20 1HG2 VAL 20 21.014 15.686 11.291 169 2HG2 VAL 20 2HG2 VAL 20 19.492 15.295 10.490 170 3HG2 VAL 20 3HG2 VAL 20 20.631 16.405 9.728 171 H THR 21 H THR 21 21.889 15.704 13.294 172 HA THR 21 HA THR 21 23.901 17.453 14.117 173 HB THR 21 HB THR 21 24.095 15.080 14.540 174 HG1 THR 21 1HG THR 21 26.049 16.350 14.237 175 1HG2 THR 21 1HG2 THR 21 24.488 14.723 11.566 176 2HG2 THR 21 2HG2 THR 21 23.010 14.318 12.439 177 3HG2 THR 21 3HG2 THR 21 24.508 13.460 12.795 178 H GLU 22 H GLU 22 23.024 16.313 10.898 179 HA GLU 22 HA GLU 22 25.267 17.282 9.513 180 1HB GLU 22 2HB GLU 22 22.423 16.870 8.578 181 2HB GLU 22 3HB GLU 22 23.776 17.214 7.509 182 1HG GLU 22 2HG GLU 22 23.725 14.848 9.356 183 2HG GLU 22 3HG GLU 22 23.088 14.799 7.713 184 H SER 23 H SER 23 25.523 19.156 8.221 185 HA SER 23 HA SER 23 24.530 21.537 9.466 186 1HB SER 23 2HB SER 23 26.143 21.275 6.918 187 2HB SER 23 3HB SER 23 25.953 22.728 7.899 188 HG SER 23 HG SER 23 27.204 20.308 8.698 189 H GLY 24 H GLY 24 23.993 19.893 6.380 190 1HA GLY 24 2HA GLY 24 21.556 20.099 5.697 191 2HA GLY 24 3HA GLY 24 21.841 21.830 5.801 192 H GLU 25 H GLU 25 23.808 22.568 4.456 193 HA GLU 25 HA GLU 25 23.252 22.125 1.762 194 1HB GLU 25 2HB GLU 25 24.382 24.131 2.435 195 2HB GLU 25 3HB GLU 25 25.724 23.217 3.109 196 1HG GLU 25 2HG GLU 25 26.536 22.633 0.990 197 2HG GLU 25 3HG GLU 25 25.035 23.099 0.194 198 H ILE 26 H ILE 26 23.577 20.383 0.563 199 HA ILE 26 HA ILE 26 25.543 18.396 1.373 200 HB ILE 26 HB ILE 26 23.275 17.668 0.723 201 1HG1 ILE 26 2HG1 ILE 26 25.344 16.691 -1.252 202 2HG1 ILE 26 3HG1 ILE 26 25.320 16.219 0.443 203 1HG2 ILE 26 1HG2 ILE 26 23.396 19.518 -1.224 204 2HG2 ILE 26 2HG2 ILE 26 23.797 18.072 -2.150 205 3HG2 ILE 26 3HG2 ILE 26 22.284 18.150 -1.247 206 1HD1 ILE 26 1HD1 ILE 26 22.745 15.815 -0.783 207 2HD1 ILE 26 2HD1 ILE 26 24.021 14.971 -1.662 208 3HD1 ILE 26 3HD1 ILE 26 23.789 14.669 0.059 209 H THR 27 H THR 27 24.974 20.714 -1.187 210 HA THR 27 HA THR 27 27.689 20.221 -2.173 211 HB THR 27 HB THR 27 26.419 19.004 -3.769 212 HG1 THR 27 1HG THR 27 27.949 20.428 -4.709 213 1HG2 THR 27 1HG2 THR 27 24.468 21.183 -3.384 214 2HG2 THR 27 2HG2 THR 27 24.207 19.470 -3.712 215 3HG2 THR 27 3HG2 THR 27 24.611 20.570 -5.030 216 H LYS 28 H LYS 28 28.805 22.042 -2.513 217 HA LYS 28 HA LYS 28 27.374 24.587 -2.272 218 1HB LYS 28 2HB LYS 28 29.447 23.852 -0.847 219 2HB LYS 28 3HB LYS 28 30.361 24.344 -2.267 220 1HG LYS 28 2HG LYS 28 28.995 26.546 -2.057 221 2HG LYS 28 3HG LYS 28 28.729 26.003 -0.399 222 1HD LYS 28 2HD LYS 28 31.474 26.145 -1.618 223 2HD LYS 28 3HD LYS 28 30.729 27.528 -0.817 224 1HE LYS 28 2HE LYS 28 30.954 24.853 0.527 225 2HE LYS 28 3HE LYS 28 32.269 26.026 0.573 226 1HZ LYS 28 1HZ LYS 28 30.830 26.192 2.516 227 2HZ LYS 28 2HZ LYS 28 29.499 26.518 1.525 228 3HZ LYS 28 3HZ LYS 28 30.785 27.615 1.603 229 H SER 29 H SER 29 27.090 25.879 -3.965 230 HA SER 29 HA SER 29 28.555 25.271 -6.439 231 1HB SER 29 2HB SER 29 26.164 27.064 -6.407 232 2HB SER 29 3HB SER 29 26.710 25.944 -7.655 233 HG SER 29 HG SER 29 24.889 25.534 -5.777 234 H ALA 30 H ALA 30 29.545 26.911 -4.176 235 HA ALA 30 HA ALA 30 29.702 29.561 -5.430 236 1HB ALA 30 1HB ALA 30 31.021 29.303 -2.857 237 2HB ALA 30 2HB ALA 30 29.768 30.429 -3.379 238 3HB ALA 30 3HB ALA 30 29.325 28.823 -2.797 239 H HIS 31 H HIS 31 31.707 30.567 -5.804 240 HA HIS 31 HA HIS 31 33.883 30.696 -6.454 241 1HB HIS 31 2HB HIS 31 34.418 28.262 -4.753 242 2HB HIS 31 3HB HIS 31 35.543 29.544 -5.195 243 HD1 HIS 31 1HD HIS 31 34.223 28.458 -2.287 244 HD2 HIS 31 2HD HIS 31 33.925 32.147 -4.175 245 HE1 HIS 31 1HE HIS 31 33.654 30.100 -0.469 246 HA PRO 32 HA PRO 32 34.306 27.987 -9.881 247 1HB PRO 32 2HB PRO 32 36.957 28.227 -10.414 248 2HB PRO 32 3HB PRO 32 35.790 29.512 -10.748 249 1HG PRO 32 2HG PRO 32 37.660 29.207 -8.430 250 2HG PRO 32 3HG PRO 32 37.273 30.659 -9.371 251 1HD PRO 32 2HD PRO 32 36.173 30.159 -6.948 252 2HD PRO 32 3HD PRO 32 35.305 31.029 -8.230 253 H ALA 33 H ALA 33 36.032 26.264 -10.725 254 HA ALA 33 HA ALA 33 35.843 24.036 -9.069 255 1HB ALA 33 1HB ALA 33 38.059 23.639 -10.777 256 2HB ALA 33 2HB ALA 33 36.403 23.068 -10.984 257 3HB ALA 33 3HB ALA 33 36.887 24.626 -11.652 258 H ARG 34 H ARG 34 37.279 22.958 -7.733 259 HA ARG 34 HA ARG 34 38.917 24.453 -6.075 260 1HB ARG 34 2HB ARG 34 37.974 22.154 -5.629 261 2HB ARG 34 3HB ARG 34 39.269 21.506 -6.626 262 1HG ARG 34 2HG ARG 34 40.883 21.957 -5.071 263 2HG ARG 34 3HG ARG 34 39.979 23.297 -4.362 264 1HD ARG 34 2HD ARG 34 38.671 21.909 -3.072 265 2HD ARG 34 3HD ARG 34 38.889 20.530 -4.149 266 HE ARG 34 HE ARG 34 40.487 21.198 -1.899 267 1HH1 ARG 34 2HH1 ARG 34 40.644 19.843 -5.102 268 2HH1 ARG 34 1HH1 ARG 34 42.048 18.885 -4.770 269 1HH2 ARG 34 2HH2 ARG 34 42.336 19.939 -1.449 270 2HH2 ARG 34 1HH2 ARG 34 43.008 18.939 -2.691 271 H PHE 35 H PHE 35 40.672 25.556 -6.636 272 HA PHE 35 HA PHE 35 42.219 25.160 -8.913 273 1HB PHE 35 2HB PHE 35 43.947 26.556 -7.679 274 2HB PHE 35 3HB PHE 35 42.345 27.271 -7.834 275 HD1 PHE 35 1HD PHE 35 44.378 25.225 -5.478 276 HD2 PHE 35 2HD PHE 35 41.319 28.145 -5.967 277 HE1 PHE 35 1HE PHE 35 44.284 25.532 -3.038 278 HE2 PHE 35 2HE PHE 35 41.221 28.456 -3.528 279 HZ PHE 35 HZ PHE 35 42.705 27.149 -2.060 280 H SER 36 H SER 36 44.551 24.594 -8.987 281 HA SER 36 HA SER 36 44.943 21.998 -7.807 282 1HB SER 36 2HB SER 36 46.330 23.651 -9.861 283 2HB SER 36 3HB SER 36 47.274 22.405 -9.046 284 HG SER 36 HG SER 36 45.722 20.884 -9.711 285 HA PRO 37 HA PRO 37 47.493 23.006 -4.384 286 1HB PRO 37 2HB PRO 37 49.373 21.049 -4.455 287 2HB PRO 37 3HB PRO 37 47.695 20.752 -3.990 288 1HG PRO 37 2HG PRO 37 49.044 20.280 -6.620 289 2HG PRO 37 3HG PRO 37 47.903 19.241 -5.746 290 1HD PRO 37 2HD PRO 37 47.150 20.805 -7.823 291 2HD PRO 37 3HD PRO 37 46.068 20.436 -6.466 292 H ASP 38 H ASP 38 49.034 22.658 -7.503 293 HA ASP 38 HA ASP 38 51.415 24.081 -6.577 294 1HB ASP 38 2HB ASP 38 51.481 21.999 -8.092 295 2HB ASP 38 3HB ASP 38 50.947 23.080 -9.377 296 H ASP 39 H ASP 39 48.533 25.102 -7.229 297 HA ASP 39 HA ASP 39 49.077 27.056 -9.299 298 1HB ASP 39 2HB ASP 39 46.826 25.879 -8.867 299 2HB ASP 39 3HB ASP 39 46.641 27.012 -7.530 300 H LYS 40 H LYS 40 49.215 26.846 -5.868 301 HA LYS 40 HA LYS 40 48.871 29.546 -5.173 302 1HB LYS 40 2HB LYS 40 48.982 27.507 -3.634 303 2HB LYS 40 3HB LYS 40 50.731 27.643 -3.758 304 1HG LYS 40 2HG LYS 40 49.294 30.108 -3.023 305 2HG LYS 40 3HG LYS 40 49.277 28.808 -1.829 306 1HD LYS 40 2HD LYS 40 51.871 29.480 -3.113 307 2HD LYS 40 3HD LYS 40 51.223 30.614 -1.925 308 1HE LYS 40 2HE LYS 40 50.937 28.602 -0.396 309 2HE LYS 40 3HE LYS 40 51.936 27.717 -1.546 310 1HZ LYS 40 1HZ LYS 40 53.787 28.794 -0.903 311 2HZ LYS 40 2HZ LYS 40 52.920 29.055 0.527 312 3HZ LYS 40 3HZ LYS 40 52.994 30.268 -0.650 313 H TYR 41 H TYR 41 51.396 27.964 -6.833 314 HA TYR 41 HA TYR 41 53.666 29.365 -6.130 315 1HB TYR 41 2HB TYR 41 54.611 28.635 -8.135 316 2HB TYR 41 3HB TYR 41 53.341 27.451 -7.848 317 HD1 TYR 41 1HD TYR 41 50.989 28.138 -8.928 318 HD2 TYR 41 2HD TYR 41 54.792 29.498 -10.265 319 HE1 TYR 41 1HE TYR 41 50.033 28.620 -11.142 320 HE2 TYR 41 2HE TYR 41 53.846 29.984 -12.482 321 HH TYR 41 HH TYR 41 51.708 28.986 -13.829 322 H SER 42 H SER 42 50.926 30.414 -8.015 323 HA SER 42 HA SER 42 52.272 32.954 -8.617 324 1HB SER 42 2HB SER 42 50.605 33.316 -10.311 325 2HB SER 42 3HB SER 42 51.193 31.663 -10.492 326 HG SER 42 HG SER 42 48.766 32.527 -9.314 327 H ARG 43 H ARG 43 49.664 31.520 -6.826 328 HA ARG 43 HA ARG 43 48.022 33.678 -6.313 329 1HB ARG 43 2HB ARG 43 47.538 31.389 -5.568 330 2HB ARG 43 3HB ARG 43 48.835 31.495 -4.386 331 1HG ARG 43 2HG ARG 43 47.448 33.608 -3.598 332 2HG ARG 43 3HG ARG 43 46.132 32.709 -4.355 333 1HD ARG 43 2HD ARG 43 48.004 31.478 -2.347 334 2HD ARG 43 3HD ARG 43 46.512 32.296 -1.883 335 HE ARG 43 HE ARG 43 45.791 30.449 -3.793 336 1HH1 ARG 43 2HH1 ARG 43 47.313 30.389 -0.662 337 2HH1 ARG 43 1HH1 ARG 43 46.715 28.815 -0.257 338 1HH2 ARG 43 2HH2 ARG 43 44.997 28.375 -3.270 339 2HH2 ARG 43 1HH2 ARG 43 45.398 27.669 -1.741 340 H GLN 44 H GLN 44 50.402 32.556 -3.914 341 HA GLN 44 HA GLN 44 50.453 34.848 -2.381 342 1HB GLN 44 2HB GLN 44 52.421 34.014 -1.372 343 2HB GLN 44 3HB GLN 44 51.510 32.596 -1.872 344 1HG GLN 44 2HG GLN 44 52.950 32.643 -3.983 345 2HG GLN 44 3HG GLN 44 53.985 33.757 -3.093 346 1HE2 GLN 44 1HE2 GLN 44 54.189 30.873 -4.081 347 2HE2 GLN 44 2HE2 GLN 44 54.798 30.018 -2.708 348 H ARG 45 H ARG 45 52.075 34.180 -5.394 349 HA ARG 45 HA ARG 45 54.076 36.088 -5.399 350 1HB ARG 45 2HB ARG 45 53.256 34.302 -7.199 351 2HB ARG 45 3HB ARG 45 52.495 35.728 -7.896 352 1HG ARG 45 2HG ARG 45 54.479 35.823 -8.981 353 2HG ARG 45 3HG ARG 45 54.925 36.731 -7.534 354 1HD ARG 45 2HD ARG 45 56.667 35.200 -7.803 355 2HD ARG 45 3HD ARG 45 55.641 34.468 -6.570 356 HE ARG 45 HE ARG 45 54.800 33.490 -9.031 357 1HH1 ARG 45 2HH1 ARG 45 57.641 33.387 -7.021 358 2HH1 ARG 45 1HH1 ARG 45 58.148 31.832 -7.592 359 1HH2 ARG 45 2HH2 ARG 45 55.457 31.442 -9.791 360 2HH2 ARG 45 1HH2 ARG 45 56.905 30.727 -9.168 361 H VAL 46 H VAL 46 50.739 36.483 -6.594 362 HA VAL 46 HA VAL 46 51.059 39.313 -6.957 363 HB VAL 46 HB VAL 46 48.611 39.297 -7.408 364 1HG1 VAL 46 1HG1 VAL 46 50.447 37.415 -8.850 365 2HG1 VAL 46 2HG1 VAL 46 48.795 37.693 -9.406 366 3HG1 VAL 46 3HG1 VAL 46 49.934 39.037 -9.313 367 1HG2 VAL 46 1HG2 VAL 46 48.055 37.446 -5.864 368 2HG2 VAL 46 2HG2 VAL 46 47.398 37.210 -7.484 369 3HG2 VAL 46 3HG2 VAL 46 48.834 36.320 -6.977 370 H THR 47 H THR 47 49.864 37.213 -4.443 371 HA THR 47 HA THR 47 48.341 39.044 -2.970 372 HB THR 47 HB THR 47 49.996 36.879 -1.686 373 HG1 THR 47 1HG THR 47 47.985 35.601 -2.200 374 1HG2 THR 47 1HG2 THR 47 47.934 36.684 -0.276 375 2HG2 THR 47 2HG2 THR 47 47.304 38.110 -1.100 376 3HG2 THR 47 3HG2 THR 47 48.771 38.230 -0.129 377 H LEU 48 H LEU 48 48.904 40.825 -1.916 378 HA LEU 48 HA LEU 48 51.532 41.772 -1.739 379 1HB LEU 48 2HB LEU 48 48.913 42.563 -0.591 380 2HB LEU 48 3HB LEU 48 50.365 43.250 0.135 381 HG LEU 48 HG LEU 48 49.401 44.760 -1.514 382 1HD1 LEU 48 1HD1 LEU 48 51.384 45.330 -2.593 383 2HD1 LEU 48 2HD1 LEU 48 51.904 43.652 -2.735 384 3HD1 LEU 48 3HD1 LEU 48 51.924 44.451 -1.162 385 1HD2 LEU 48 1HD2 LEU 48 48.340 43.044 -2.928 386 2HD2 LEU 48 2HD2 LEU 48 49.932 42.570 -3.521 387 3HD2 LEU 48 3HD2 LEU 48 49.308 44.184 -3.863 388 H LYS 49 H LYS 49 53.135 41.368 -0.368 389 HA LYS 49 HA LYS 49 52.631 39.645 1.924 390 1HB LYS 49 2HB LYS 49 55.108 39.520 2.061 391 2HB LYS 49 3HB LYS 49 54.477 39.023 0.496 392 1HG LYS 49 2HG LYS 49 55.209 41.863 0.723 393 2HG LYS 49 3HG LYS 49 56.545 40.713 0.824 394 1HD LYS 49 2HD LYS 49 56.282 40.013 -1.331 395 2HD LYS 49 3HD LYS 49 54.541 40.305 -1.329 396 1HE LYS 49 2HE LYS 49 56.549 42.542 -1.268 397 2HE LYS 49 3HE LYS 49 55.977 41.833 -2.777 398 1HZ LYS 49 1HZ LYS 49 54.319 43.171 -0.712 399 2HZ LYS 49 2HZ LYS 49 53.696 42.384 -2.073 400 3HZ LYS 49 3HZ LYS 49 54.670 43.754 -2.261 401 H LYS 50 H LYS 50 53.376 42.946 1.203 402 HA LYS 50 HA LYS 50 53.757 44.782 2.495 403 1HB LYS 50 2HB LYS 50 51.940 43.093 4.177 404 2HB LYS 50 3HB LYS 50 52.567 44.606 4.818 405 1HG LYS 50 2HG LYS 50 51.096 44.410 2.203 406 2HG LYS 50 3HG LYS 50 50.303 44.734 3.747 407 1HD LYS 50 2HD LYS 50 52.611 46.402 2.798 408 2HD LYS 50 3HD LYS 50 50.960 46.736 2.270 409 1HE LYS 50 2HE LYS 50 51.793 46.535 5.159 410 2HE LYS 50 3HE LYS 50 51.724 48.052 4.263 411 1HZ LYS 50 1HZ LYS 50 49.304 47.126 3.764 412 2HZ LYS 50 2HZ LYS 50 49.652 48.070 5.123 413 3HZ LYS 50 3HZ LYS 50 49.555 46.387 5.266 414 H ARG 51 H ARG 51 55.736 42.628 2.598 415 HA ARG 51 HA ARG 51 57.595 41.988 3.753 416 1HB ARG 51 2HB ARG 51 57.706 44.602 3.578 417 2HB ARG 51 3HB ARG 51 57.442 44.538 5.315 418 1HG ARG 51 2HG ARG 51 59.427 43.008 5.457 419 2HG ARG 51 3HG ARG 51 59.735 43.376 3.759 420 1HD ARG 51 2HD ARG 51 59.552 45.421 5.970 421 2HD ARG 51 3HD ARG 51 61.057 44.775 5.315 422 HE ARG 51 HE ARG 51 59.628 45.767 3.166 423 1HH1 ARG 51 2HH1 ARG 51 61.011 47.001 6.113 424 2HH1 ARG 51 1HH1 ARG 51 61.305 48.582 5.468 425 1HH2 ARG 51 2HH2 ARG 51 60.010 47.845 2.305 426 2HH2 ARG 51 1HH2 ARG 51 60.734 49.061 3.302 427 H PHE 52 H PHE 52 55.044 41.224 4.889 428 HA PHE 52 HA PHE 52 54.969 41.559 7.679 429 1HB PHE 52 2HB PHE 52 53.707 39.724 5.718 430 2HB PHE 52 3HB PHE 52 53.730 39.189 7.395 431 HD1 PHE 52 1HD PHE 52 53.324 42.600 5.967 432 HD2 PHE 52 2HD PHE 52 51.564 39.409 8.165 433 HE1 PHE 52 1HE PHE 52 51.364 44.010 6.438 434 HE2 PHE 52 2HE PHE 52 49.601 40.814 8.640 435 HZ PHE 52 HZ PHE 52 49.499 43.118 7.776 436 H GLY 53 H GLY 53 56.885 39.520 5.649 437 1HA GLY 53 2HA GLY 53 57.575 37.613 7.685 438 2HA GLY 53 3HA GLY 53 58.344 37.788 6.115 439 H LEU 54 H LEU 54 58.031 39.680 9.124 440 HA LEU 54 HA LEU 54 60.845 40.459 8.830 441 1HB LEU 54 2HB LEU 54 60.291 42.178 10.548 442 2HB LEU 54 3HB LEU 54 59.412 42.342 9.028 443 HG LEU 54 HG LEU 54 57.788 40.800 10.745 444 1HD1 LEU 54 1HD1 LEU 54 59.471 42.119 12.388 445 2HD1 LEU 54 2HD1 LEU 54 57.798 41.734 12.792 446 3HD1 LEU 54 3HD1 LEU 54 58.210 43.335 12.178 447 1HD2 LEU 54 1HD2 LEU 54 56.207 42.310 10.135 448 2HD2 LEU 54 2HD2 LEU 54 57.425 42.703 8.921 449 3HD2 LEU 54 3HD2 LEU 54 57.275 43.694 10.372 450 H VAL 55 H VAL 55 59.862 37.850 9.851 451 HA VAL 55 HA VAL 55 60.259 36.375 11.544 452 HB VAL 55 HB VAL 55 62.530 38.233 12.252 453 1HG1 VAL 55 1HG1 VAL 55 63.571 36.370 13.242 454 2HG1 VAL 55 2HG1 VAL 55 61.897 36.311 13.797 455 3HG1 VAL 55 3HG1 VAL 55 62.436 35.240 12.504 456 1HG2 VAL 55 1HG2 VAL 55 62.104 36.470 9.928 457 2HG2 VAL 55 2HG2 VAL 55 63.121 37.901 10.096 458 3HG2 VAL 55 3HG2 VAL 55 63.678 36.345 10.713 459 HA PRO 56 HA PRO 56 58.220 39.187 14.665 460 1HB PRO 56 2HB PRO 56 55.910 37.768 14.811 461 2HB PRO 56 3HB PRO 56 56.175 39.050 13.625 462 1HG PRO 56 2HG PRO 56 56.397 36.084 13.289 463 2HG PRO 56 3HG PRO 56 55.670 37.281 12.203 464 1HD PRO 56 2HD PRO 56 58.144 36.261 11.796 465 2HD PRO 56 3HD PRO 56 57.707 37.918 11.333 466 H GLY 57 H GLY 57 58.682 35.732 14.351 467 1HA GLY 57 2HA GLY 57 59.922 35.133 16.630 468 2HA GLY 57 3HA GLY 57 58.266 35.281 17.200 469 H GLN 58 H GLN 58 60.522 33.364 15.401 470 HA GLN 58 HA GLN 58 58.745 31.521 14.243 471 1HB GLN 58 2HB GLN 58 60.664 30.067 13.992 472 2HB GLN 58 3HB GLN 58 61.133 31.723 13.631 473 1HG GLN 58 2HG GLN 58 62.890 31.108 14.924 474 2HG GLN 58 3HG GLN 58 61.812 31.721 16.176 475 1HE2 GLN 58 1HE2 GLN 58 62.140 30.497 17.897 476 2HE2 GLN 58 2HE2 GLN 58 62.130 28.770 17.926 Start of MODEL 6 1 1H HIS 2 H HIS 2 10.880 22.044 24.807 2 HA HIS 2 HA HIS 2 9.081 20.396 23.618 3 1HB HIS 2 2HB HIS 2 10.905 21.417 21.440 4 2HB HIS 2 3HB HIS 2 9.541 20.314 21.276 5 HD1 HIS 2 1HD HIS 2 10.300 23.952 21.936 6 HD2 HIS 2 2HD HIS 2 7.102 21.519 20.879 7 HE1 HIS 2 1HE HIS 2 8.435 25.522 21.321 8 H LEU 3 H LEU 3 9.815 18.365 23.809 9 HA LEU 3 HA LEU 3 12.463 17.906 24.752 10 1HB LEU 3 2HB LEU 3 10.657 15.727 23.787 11 2HB LEU 3 3HB LEU 3 11.812 15.706 25.117 12 HG LEU 3 HG LEU 3 9.120 17.067 25.088 13 1HD1 LEU 3 1HD1 LEU 3 8.308 15.214 25.995 14 2HD1 LEU 3 2HD1 LEU 3 9.596 15.178 27.200 15 3HD1 LEU 3 3HD1 LEU 3 9.840 14.421 25.625 16 1HD2 LEU 3 1HD2 LEU 3 11.275 17.012 27.195 17 2HD2 LEU 3 2HD2 LEU 3 9.617 17.548 27.472 18 3HD2 LEU 3 3HD2 LEU 3 10.653 18.427 26.345 19 H MET 4 H MET 4 13.752 16.004 23.774 20 HA MET 4 HA MET 4 14.053 16.547 20.901 21 1HB MET 4 2HB MET 4 16.355 15.712 21.166 22 2HB MET 4 3HB MET 4 16.023 17.075 22.228 23 1HG MET 4 2HG MET 4 15.925 15.709 24.131 24 2HG MET 4 3HG MET 4 15.797 14.238 23.169 25 1HE MET 4 1HE MET 4 17.757 17.381 23.359 26 2HE MET 4 2HE MET 4 19.398 16.908 23.801 27 3HE MET 4 3HE MET 4 18.901 16.896 22.108 28 H TYR 5 H TYR 5 12.209 14.592 22.289 29 HA TYR 5 HA TYR 5 12.611 12.428 20.453 30 1HB TYR 5 2HB TYR 5 12.804 10.644 22.117 31 2HB TYR 5 3HB TYR 5 14.163 11.756 22.236 32 HD1 TYR 5 1HD TYR 5 14.128 13.506 24.074 33 HD2 TYR 5 2HD TYR 5 11.433 10.214 23.977 34 HE1 TYR 5 1HE TYR 5 13.666 13.821 26.469 35 HE2 TYR 5 2HE TYR 5 10.962 10.522 26.372 36 HH TYR 5 HH TYR 5 11.695 11.543 28.276 37 H THR 6 H THR 6 10.666 11.801 19.806 38 HA THR 6 HA THR 6 8.311 12.671 21.222 39 HB THR 6 HB THR 6 7.053 11.719 19.349 40 HG1 THR 6 1HG THR 6 7.950 10.108 18.322 41 1HG2 THR 6 1HG2 THR 6 9.468 13.365 18.608 42 2HG2 THR 6 2HG2 THR 6 7.844 13.938 18.992 43 3HG2 THR 6 3HG2 THR 6 8.136 13.047 17.498 44 H LEU 7 H LEU 7 6.849 11.441 22.315 45 HA LEU 7 HA LEU 7 7.708 8.737 23.018 46 1HB LEU 7 2HB LEU 7 5.631 10.547 24.240 47 2HB LEU 7 3HB LEU 7 6.026 8.932 24.825 48 HG LEU 7 HG LEU 7 7.796 11.372 24.861 49 1HD1 LEU 7 1HD1 LEU 7 7.197 11.624 26.989 50 2HD1 LEU 7 2HD1 LEU 7 7.374 9.902 27.326 51 3HD1 LEU 7 3HD1 LEU 7 5.869 10.515 26.642 52 1HD2 LEU 7 1HD2 LEU 7 9.516 9.963 24.724 53 2HD2 LEU 7 2HD2 LEU 7 8.471 8.549 24.864 54 3HD2 LEU 7 3HD2 LEU 7 9.035 9.378 26.317 55 H GLY 8 H GLY 8 6.038 7.045 23.256 56 1HA GLY 8 2HA GLY 8 4.153 7.196 21.001 57 2HA GLY 8 3HA GLY 8 4.800 5.714 21.689 58 HA PRO 9 HA PRO 9 0.499 6.387 23.326 59 1HB PRO 9 2HB PRO 9 -0.369 3.875 22.772 60 2HB PRO 9 3HB PRO 9 -0.448 5.199 21.603 61 1HG PRO 9 2HG PRO 9 1.567 2.997 21.839 62 2HG PRO 9 3HG PRO 9 0.793 3.655 20.386 63 1HD PRO 9 2HD PRO 9 3.301 4.344 21.140 64 2HD PRO 9 3HD PRO 9 2.215 5.467 20.297 65 H ASP 10 H ASP 10 2.938 3.909 23.737 66 HA ASP 10 HA ASP 10 1.867 3.302 26.410 67 1HB ASP 10 2HB ASP 10 3.423 1.290 26.251 68 2HB ASP 10 3HB ASP 10 2.025 1.285 25.179 69 H GLY 11 H GLY 11 3.563 5.620 25.552 70 1HA GLY 11 2HA GLY 11 5.196 6.870 26.593 71 2HA GLY 11 3HA GLY 11 5.328 5.597 27.797 72 H LYS 12 H LYS 12 5.734 5.020 24.371 73 HA LYS 12 HA LYS 12 8.408 4.023 24.859 74 1HB LYS 12 2HB LYS 12 6.343 3.647 22.851 75 2HB LYS 12 3HB LYS 12 7.920 3.901 22.116 76 1HG LYS 12 2HG LYS 12 8.765 2.105 23.721 77 2HG LYS 12 3HG LYS 12 7.062 1.731 23.998 78 1HD LYS 12 2HD LYS 12 7.214 1.846 21.260 79 2HD LYS 12 3HD LYS 12 8.768 1.137 21.700 80 1HE LYS 12 2HE LYS 12 6.020 0.134 22.420 81 2HE LYS 12 3HE LYS 12 7.203 -0.643 21.368 82 1HZ LYS 12 1HZ LYS 12 7.032 -0.622 24.256 83 2HZ LYS 12 2HZ LYS 12 8.590 -0.385 23.643 84 3HZ LYS 12 3HZ LYS 12 7.716 -1.770 23.219 85 H ARG 13 H ARG 13 10.141 5.274 24.735 86 HA ARG 13 HA ARG 13 10.062 7.908 23.660 87 1HB ARG 13 2HB ARG 13 12.551 6.335 24.316 88 2HB ARG 13 3HB ARG 13 12.345 8.081 24.319 89 1HG ARG 13 2HG ARG 13 10.756 7.830 26.215 90 2HG ARG 13 3HG ARG 13 11.152 6.111 26.254 91 1HD ARG 13 2HD ARG 13 13.226 8.278 26.482 92 2HD ARG 13 3HD ARG 13 12.408 7.583 27.880 93 HE ARG 13 HE ARG 13 14.538 6.418 26.402 94 1HH1 ARG 13 2HH1 ARG 13 11.637 5.649 28.166 95 2HH1 ARG 13 1HH1 ARG 13 12.165 4.056 28.595 96 1HH2 ARG 13 2HH2 ARG 13 15.244 4.322 26.959 97 2HH2 ARG 13 1HH2 ARG 13 14.216 3.302 27.908 98 H ILE 14 H ILE 14 11.000 8.741 21.811 99 HA ILE 14 HA ILE 14 12.219 6.892 19.907 100 HB ILE 14 HB ILE 14 9.832 8.604 19.205 101 1HG1 ILE 14 2HG1 ILE 14 10.130 5.594 19.198 102 2HG1 ILE 14 3HG1 ILE 14 9.307 6.513 20.453 103 1HG2 ILE 14 1HG2 ILE 14 11.589 6.846 17.504 104 2HG2 ILE 14 2HG2 ILE 14 10.044 7.512 16.980 105 3HG2 ILE 14 3HG2 ILE 14 11.381 8.592 17.376 106 1HD1 ILE 14 1HD1 ILE 14 7.993 7.415 18.303 107 2HD1 ILE 14 2HD1 ILE 14 8.431 5.805 17.735 108 3HD1 ILE 14 3HD1 ILE 14 7.501 5.991 19.221 109 H TYR 15 H TYR 15 14.137 7.866 19.670 110 HA TYR 15 HA TYR 15 14.664 10.594 19.927 111 1HB TYR 15 2HB TYR 15 16.124 8.279 18.735 112 2HB TYR 15 3HB TYR 15 16.722 9.903 18.409 113 HD1 TYR 15 1HD TYR 15 18.581 10.332 19.703 114 HD2 TYR 15 2HD TYR 15 15.299 8.271 21.460 115 HE1 TYR 15 1HE TYR 15 19.744 10.342 21.871 116 HE2 TYR 15 2HE TYR 15 16.451 8.277 23.633 117 HH TYR 15 HH TYR 15 19.204 10.178 24.250 118 H THR 16 H THR 16 13.474 12.003 18.759 119 HA THR 16 HA THR 16 13.732 11.846 15.830 120 HB THR 16 HB THR 16 11.260 12.967 17.123 121 HG1 THR 16 1HG THR 16 11.745 10.266 16.347 122 1HG2 THR 16 1HG2 THR 16 10.412 12.051 14.809 123 2HG2 THR 16 2HG2 THR 16 12.119 12.158 14.382 124 3HG2 THR 16 3HG2 THR 16 11.249 13.599 14.909 125 H LEU 17 H LEU 17 15.194 13.351 17.939 126 HA LEU 17 HA LEU 17 14.463 16.030 18.060 127 1HB LEU 17 2HB LEU 17 16.654 16.484 18.772 128 2HB LEU 17 3HB LEU 17 16.296 14.854 19.335 129 HG LEU 17 HG LEU 17 17.521 14.220 17.059 130 1HD1 LEU 17 1HD1 LEU 17 19.261 16.493 17.778 131 2HD1 LEU 17 2HD1 LEU 17 17.801 16.878 16.867 132 3HD1 LEU 17 3HD1 LEU 17 18.971 15.731 16.214 133 1HD2 LEU 17 1HD2 LEU 17 18.872 14.987 19.643 134 2HD2 LEU 17 2HD2 LEU 17 19.602 14.003 18.375 135 3HD2 LEU 17 3HD2 LEU 17 18.178 13.418 19.237 136 H LYS 18 H LYS 18 15.845 14.208 15.463 137 HA LYS 18 HA LYS 18 17.062 16.177 13.939 138 1HB LYS 18 2HB LYS 18 16.183 13.494 13.558 139 2HB LYS 18 3HB LYS 18 15.639 14.441 12.179 140 1HG LYS 18 2HG LYS 18 17.670 13.974 11.364 141 2HG LYS 18 3HG LYS 18 18.191 15.303 12.402 142 1HD LYS 18 2HD LYS 18 18.019 12.720 13.769 143 2HD LYS 18 3HD LYS 18 19.202 12.762 12.459 144 1HE LYS 18 2HE LYS 18 19.691 15.128 13.713 145 2HE LYS 18 3HE LYS 18 19.218 14.105 15.069 146 1HZ LYS 18 1HZ LYS 18 21.391 13.571 13.118 147 2HZ LYS 18 2HZ LYS 18 20.889 12.479 14.308 148 3HZ LYS 18 3HZ LYS 18 21.573 13.960 14.755 149 H LYS 19 H LYS 19 13.692 15.589 14.523 150 HA LYS 19 HA LYS 19 12.476 16.811 12.367 151 1HB LYS 19 2HB LYS 19 10.559 17.102 13.742 152 2HB LYS 19 3HB LYS 19 11.356 15.638 14.304 153 1HG LYS 19 2HG LYS 19 12.372 16.921 16.140 154 2HG LYS 19 3HG LYS 19 11.504 18.357 15.591 155 1HD LYS 19 2HD LYS 19 9.383 16.952 15.842 156 2HD LYS 19 3HD LYS 19 10.386 15.818 16.748 157 1HE LYS 19 2HE LYS 19 10.975 17.586 18.323 158 2HE LYS 19 3HE LYS 19 10.007 18.739 17.404 159 1HZ LYS 19 1HZ LYS 19 9.114 17.310 19.500 160 2HZ LYS 19 2HZ LYS 19 8.579 16.364 18.205 161 3HZ LYS 19 3HZ LYS 19 8.122 17.989 18.310 162 H VAL 20 H VAL 20 14.180 18.253 15.046 163 HA VAL 20 HA VAL 20 13.747 20.901 13.828 164 HB VAL 20 HB VAL 20 12.494 20.695 15.958 165 1HG1 VAL 20 1HG1 VAL 20 14.541 19.215 16.863 166 2HG1 VAL 20 2HG1 VAL 20 14.974 20.778 17.560 167 3HG1 VAL 20 3HG1 VAL 20 13.408 20.053 17.924 168 1HG2 VAL 20 1HG2 VAL 20 14.732 22.591 16.499 169 2HG2 VAL 20 2HG2 VAL 20 13.743 22.817 15.056 170 3HG2 VAL 20 3HG2 VAL 20 12.991 22.831 16.652 171 H THR 21 H THR 21 15.488 22.358 13.930 172 HA THR 21 HA THR 21 18.090 21.045 14.237 173 HB THR 21 HB THR 21 17.546 22.199 12.082 174 HG1 THR 21 1HG THR 21 19.670 22.150 12.179 175 1HG2 THR 21 1HG2 THR 21 16.373 24.124 13.360 176 2HG2 THR 21 2HG2 THR 21 17.311 24.510 11.918 177 3HG2 THR 21 3HG2 THR 21 17.997 24.792 13.518 178 H GLU 22 H GLU 22 19.879 22.741 14.865 179 HA GLU 22 HA GLU 22 19.643 23.295 17.558 180 1HB GLU 22 2HB GLU 22 21.610 23.618 15.579 181 2HB GLU 22 3HB GLU 22 21.411 25.205 16.309 182 1HG GLU 22 2HG GLU 22 22.194 24.529 18.337 183 2HG GLU 22 3HG GLU 22 21.659 22.865 18.115 184 H SER 23 H SER 23 19.669 25.399 18.670 185 HA SER 23 HA SER 23 17.851 27.310 17.355 186 1HB SER 23 2HB SER 23 18.108 27.025 20.341 187 2HB SER 23 3HB SER 23 16.780 27.718 19.410 188 HG SER 23 HG SER 23 16.543 25.484 18.561 189 H GLY 24 H GLY 24 19.808 28.321 16.491 190 1HA GLY 24 2HA GLY 24 20.862 30.449 16.666 191 2HA GLY 24 3HA GLY 24 20.868 30.269 18.415 192 H GLU 25 H GLU 25 22.791 30.292 15.755 193 HA GLU 25 HA GLU 25 24.792 28.532 17.012 194 1HB GLU 25 2HB GLU 25 25.787 28.244 14.802 195 2HB GLU 25 3HB GLU 25 24.096 27.763 14.788 196 1HG GLU 25 2HG GLU 25 23.449 29.576 13.518 197 2HG GLU 25 3HG GLU 25 24.861 30.528 13.972 198 H ILE 26 H ILE 26 27.093 29.207 16.477 199 HA ILE 26 HA ILE 26 27.363 32.134 16.411 200 HB ILE 26 HB ILE 26 27.510 31.418 18.754 201 1HG1 ILE 26 2HG1 ILE 26 30.231 32.193 17.691 202 2HG1 ILE 26 3HG1 ILE 26 28.884 33.315 17.855 203 1HG2 ILE 26 1HG2 ILE 26 28.541 29.131 17.941 204 2HG2 ILE 26 2HG2 ILE 26 30.058 29.978 18.242 205 3HG2 ILE 26 3HG2 ILE 26 28.887 29.776 19.545 206 1HD1 ILE 26 1HD1 ILE 26 28.865 32.968 20.253 207 2HD1 ILE 26 2HD1 ILE 26 30.172 31.792 20.108 208 3HD1 ILE 26 3HD1 ILE 26 30.461 33.485 19.709 209 H THR 27 H THR 27 29.243 32.924 15.481 210 HA THR 27 HA THR 27 31.136 30.966 14.388 211 HB THR 27 HB THR 27 29.462 31.503 12.624 212 HG1 THR 27 1HG THR 27 32.028 32.592 12.038 213 1HG2 THR 27 1HG2 THR 27 30.549 34.162 12.094 214 2HG2 THR 27 2HG2 THR 27 29.622 34.072 13.592 215 3HG2 THR 27 3HG2 THR 27 28.879 33.595 12.065 216 H LYS 28 H LYS 28 33.134 32.000 13.558 217 HA LYS 28 HA LYS 28 33.981 34.079 15.395 218 1HB LYS 28 2HB LYS 28 36.228 33.596 14.617 219 2HB LYS 28 3HB LYS 28 35.398 32.093 14.999 220 1HG LYS 28 2HG LYS 28 34.825 32.145 12.432 221 2HG LYS 28 3HG LYS 28 36.259 33.173 12.369 222 1HD LYS 28 2HD LYS 28 36.349 30.574 13.845 223 2HD LYS 28 3HD LYS 28 36.496 30.593 12.086 224 1HE LYS 28 2HE LYS 28 38.397 32.100 12.244 225 2HE LYS 28 3HE LYS 28 38.227 32.159 13.998 226 1HZ LYS 28 1HZ LYS 28 39.942 30.569 12.951 227 2HZ LYS 28 2HZ LYS 28 38.610 29.574 12.643 228 3HZ LYS 28 3HZ LYS 28 38.987 30.012 14.232 229 H SER 29 H SER 29 35.662 35.680 14.338 230 HA SER 29 HA SER 29 34.865 36.624 11.718 231 1HB SER 29 2HB SER 29 33.178 37.648 13.206 232 2HB SER 29 3HB SER 29 34.472 38.372 14.161 233 HG SER 29 HG SER 29 33.321 39.404 12.066 234 H ALA 30 H ALA 30 36.273 38.251 10.873 235 HA ALA 30 HA ALA 30 38.630 38.954 12.424 236 1HB ALA 30 1HB ALA 30 40.135 37.658 11.398 237 2HB ALA 30 2HB ALA 30 38.751 36.679 10.910 238 3HB ALA 30 3HB ALA 30 39.399 37.898 9.813 239 H HIS 31 H HIS 31 39.861 40.658 11.501 240 HA HIS 31 HA HIS 31 39.128 41.842 9.002 241 1HB HIS 31 2HB HIS 31 37.277 42.518 10.647 242 2HB HIS 31 3HB HIS 31 38.502 43.513 11.429 243 HD1 HIS 31 1HD HIS 31 39.316 45.611 10.159 244 HD2 HIS 31 2HD HIS 31 36.363 43.463 8.177 245 HE1 HIS 31 1HE HIS 31 38.511 47.119 8.315 246 HA PRO 32 HA PRO 32 43.373 42.740 10.718 247 1HB PRO 32 2HB PRO 32 44.723 41.763 8.574 248 2HB PRO 32 3HB PRO 32 44.230 40.755 9.941 249 1HG PRO 32 2HG PRO 32 42.927 41.088 7.266 250 2HG PRO 32 3HG PRO 32 43.204 39.606 8.199 251 1HD PRO 32 2HD PRO 32 40.805 40.859 8.135 252 2HD PRO 32 3HD PRO 32 41.381 39.972 9.560 253 H ALA 33 H ALA 33 45.158 43.966 9.527 254 HA ALA 33 HA ALA 33 43.904 46.139 8.053 255 1HB ALA 33 1HB ALA 33 45.252 47.199 9.506 256 2HB ALA 33 2HB ALA 33 46.329 45.813 9.680 257 3HB ALA 33 3HB ALA 33 46.494 46.889 8.292 258 H ARG 34 H ARG 34 44.097 46.454 5.927 259 HA ARG 34 HA ARG 34 46.370 45.539 4.432 260 1HB ARG 34 2HB ARG 34 43.946 43.917 4.558 261 2HB ARG 34 3HB ARG 34 44.382 44.359 2.912 262 1HG ARG 34 2HG ARG 34 46.237 43.040 4.884 263 2HG ARG 34 3HG ARG 34 45.326 42.197 3.630 264 1HD ARG 34 2HD ARG 34 46.660 42.955 1.959 265 2HD ARG 34 3HD ARG 34 46.974 44.494 2.761 266 HE ARG 34 HE ARG 34 48.881 43.584 3.607 267 1HH1 ARG 34 2HH1 ARG 34 46.705 40.998 2.775 268 2HH1 ARG 34 1HH1 ARG 34 47.840 39.746 3.155 269 1HH2 ARG 34 2HH2 ARG 34 50.385 41.945 4.110 270 2HH2 ARG 34 1HH2 ARG 34 49.933 40.286 3.915 271 H PHE 35 H PHE 35 45.824 45.843 1.957 272 HA PHE 35 HA PHE 35 44.622 48.505 1.750 273 1HB PHE 35 2HB PHE 35 45.796 48.556 -0.478 274 2HB PHE 35 3HB PHE 35 46.863 48.429 0.916 275 HD1 PHE 35 1HD PHE 35 48.459 46.754 1.009 276 HD2 PHE 35 2HD PHE 35 45.175 46.363 -1.672 277 HE1 PHE 35 1HE PHE 35 49.499 44.749 0.031 278 HE2 PHE 35 2HE PHE 35 46.210 44.358 -2.653 279 HZ PHE 35 HZ PHE 35 48.375 43.548 -1.801 280 H SER 36 H SER 36 43.084 49.018 0.182 281 HA SER 36 HA SER 36 41.147 47.048 -0.343 282 1HB SER 36 2HB SER 36 41.553 49.893 -1.088 283 2HB SER 36 3HB SER 36 40.450 48.963 -2.102 284 HG SER 36 HG SER 36 39.053 48.901 -0.521 285 HA PRO 37 HA PRO 37 42.344 45.167 -4.119 286 1HB PRO 37 2HB PRO 37 39.986 44.967 -5.449 287 2HB PRO 37 3HB PRO 37 40.381 43.976 -4.039 288 1HG PRO 37 2HG PRO 37 38.716 46.459 -4.204 289 2HG PRO 37 3HG PRO 37 38.408 44.963 -3.302 290 1HD PRO 37 2HD PRO 37 39.392 47.196 -2.129 291 2HD PRO 37 3HD PRO 37 39.820 45.563 -1.582 292 H ASP 38 H ASP 38 40.604 48.190 -4.286 293 HA ASP 38 HA ASP 38 41.354 48.603 -7.075 294 1HB ASP 38 2HB ASP 38 39.074 49.226 -6.229 295 2HB ASP 38 3HB ASP 38 39.838 50.469 -5.243 296 H ASP 39 H ASP 39 43.114 48.668 -4.497 297 HA ASP 39 HA ASP 39 44.188 51.357 -4.604 298 1HB ASP 39 2HB ASP 39 44.041 49.570 -2.589 299 2HB ASP 39 3HB ASP 39 45.669 49.230 -3.168 300 H LYS 40 H LYS 40 44.792 48.292 -6.046 301 HA LYS 40 HA LYS 40 47.534 48.791 -6.735 302 1HB LYS 40 2HB LYS 40 46.223 46.521 -6.513 303 2HB LYS 40 3HB LYS 40 45.829 46.817 -8.201 304 1HG LYS 40 2HG LYS 40 47.718 45.581 -8.457 305 2HG LYS 40 3HG LYS 40 48.433 47.193 -8.385 306 1HD LYS 40 2HD LYS 40 48.470 46.670 -5.793 307 2HD LYS 40 3HD LYS 40 48.462 45.002 -6.370 308 1HE LYS 40 2HE LYS 40 50.375 45.852 -7.939 309 2HE LYS 40 3HE LYS 40 50.521 47.134 -6.736 310 1HZ LYS 40 1HZ LYS 40 50.618 45.235 -5.060 311 2HZ LYS 40 2HZ LYS 40 51.986 45.498 -6.019 312 3HZ LYS 40 3HZ LYS 40 50.927 44.230 -6.385 313 H TYR 41 H TYR 41 44.700 50.104 -7.805 314 HA TYR 41 HA TYR 41 44.803 50.131 -10.561 315 1HB TYR 41 2HB TYR 41 43.440 52.061 -10.493 316 2HB TYR 41 3HB TYR 41 43.053 51.175 -9.022 317 HD1 TYR 41 1HD TYR 41 44.679 51.869 -6.966 318 HD2 TYR 41 2HD TYR 41 43.656 54.341 -10.276 319 HE1 TYR 41 1HE TYR 41 45.187 53.867 -5.625 320 HE2 TYR 41 2HE TYR 41 44.164 56.344 -8.944 321 HH TYR 41 HH TYR 41 44.664 57.126 -6.911 322 H SER 42 H SER 42 46.812 51.823 -8.269 323 HA SER 42 HA SER 42 48.698 52.492 -10.334 324 1HB SER 42 2HB SER 42 48.661 54.870 -10.115 325 2HB SER 42 3HB SER 42 46.993 54.370 -10.389 326 HG SER 42 HG SER 42 47.122 54.312 -7.866 327 H ARG 43 H ARG 43 50.517 51.824 -9.421 328 HA ARG 43 HA ARG 43 50.867 51.892 -6.550 329 1HB ARG 43 2HB ARG 43 52.853 51.028 -8.656 330 2HB ARG 43 3HB ARG 43 52.893 50.648 -6.940 331 1HG ARG 43 2HG ARG 43 51.025 49.205 -7.122 332 2HG ARG 43 3HG ARG 43 50.669 49.767 -8.757 333 1HD ARG 43 2HD ARG 43 51.712 47.678 -9.035 334 2HD ARG 43 3HD ARG 43 52.958 48.872 -9.399 335 HE ARG 43 HE ARG 43 53.040 48.111 -6.666 336 1HH1 ARG 43 2HH1 ARG 43 53.875 47.024 -9.866 337 2HH1 ARG 43 1HH1 ARG 43 55.173 46.012 -9.325 338 1HH2 ARG 43 2HH2 ARG 43 54.746 46.782 -5.941 339 2HH2 ARG 43 1HH2 ARG 43 55.668 45.874 -7.092 340 H GLN 44 H GLN 44 51.877 53.715 -9.325 341 HA GLN 44 HA GLN 44 54.172 54.960 -8.383 342 1HB GLN 44 2HB GLN 44 53.831 56.605 -10.047 343 2HB GLN 44 3HB GLN 44 53.139 55.125 -10.696 344 1HG GLN 44 2HG GLN 44 50.940 56.097 -9.609 345 2HG GLN 44 3HG GLN 44 51.803 57.620 -9.815 346 1HE2 GLN 44 1HE2 GLN 44 50.272 58.303 -11.336 347 2HE2 GLN 44 2HE2 GLN 44 50.261 57.686 -12.949 348 H ARG 45 H ARG 45 50.858 55.432 -7.485 349 HA ARG 45 HA ARG 45 50.856 57.994 -6.460 350 1HB ARG 45 2HB ARG 45 48.991 56.146 -6.564 351 2HB ARG 45 3HB ARG 45 49.521 55.799 -4.925 352 1HG ARG 45 2HG ARG 45 48.916 58.619 -5.630 353 2HG ARG 45 3HG ARG 45 47.570 57.496 -5.426 354 1HD ARG 45 2HD ARG 45 49.711 57.550 -3.357 355 2HD ARG 45 3HD ARG 45 48.540 58.868 -3.393 356 HE ARG 45 HE ARG 45 48.082 56.185 -2.521 357 1HH1 ARG 45 2HH1 ARG 45 46.582 58.982 -3.952 358 2HH1 ARG 45 1HH1 ARG 45 44.992 58.576 -3.394 359 1HH2 ARG 45 2HH2 ARG 45 45.994 55.639 -1.783 360 2HH2 ARG 45 1HH2 ARG 45 44.659 56.675 -2.161 361 H VAL 46 H VAL 46 52.299 55.094 -5.150 362 HA VAL 46 HA VAL 46 52.683 55.833 -2.501 363 HB VAL 46 HB VAL 46 53.203 53.590 -3.459 364 1HG1 VAL 46 1HG1 VAL 46 54.676 54.887 -5.296 365 2HG1 VAL 46 2HG1 VAL 46 55.945 54.420 -4.161 366 3HG1 VAL 46 3HG1 VAL 46 54.910 53.188 -4.883 367 1HG2 VAL 46 1HG2 VAL 46 54.074 54.569 -1.227 368 2HG2 VAL 46 2HG2 VAL 46 54.782 53.072 -1.837 369 3HG2 VAL 46 3HG2 VAL 46 55.638 54.601 -2.042 370 H THR 47 H THR 47 54.354 56.865 -5.385 371 HA THR 47 HA THR 47 56.679 57.921 -4.232 372 HB THR 47 HB THR 47 55.228 58.991 -6.661 373 HG1 THR 47 1HG THR 47 57.368 57.151 -6.749 374 1HG2 THR 47 1HG2 THR 47 57.816 59.559 -5.395 375 2HG2 THR 47 2HG2 THR 47 56.871 60.526 -6.528 376 3HG2 THR 47 3HG2 THR 47 57.906 59.229 -7.124 377 H LEU 48 H LEU 48 57.213 59.933 -3.442 378 HA LEU 48 HA LEU 48 55.270 61.339 -1.997 379 1HB LEU 48 2HB LEU 48 57.800 61.253 -1.655 380 2HB LEU 48 3HB LEU 48 57.888 62.518 -2.879 381 HG LEU 48 HG LEU 48 56.532 63.982 -1.447 382 1HD1 LEU 48 1HD1 LEU 48 55.203 62.463 -0.216 383 2HD1 LEU 48 2HD1 LEU 48 56.251 63.265 0.954 384 3HD1 LEU 48 3HD1 LEU 48 56.619 61.625 0.420 385 1HD2 LEU 48 1HD2 LEU 48 59.195 63.017 -0.878 386 2HD2 LEU 48 2HD2 LEU 48 58.402 63.613 0.580 387 3HD2 LEU 48 3HD2 LEU 48 58.558 64.661 -0.830 388 H LYS 49 H LYS 49 54.549 63.537 -2.242 389 HA LYS 49 HA LYS 49 53.822 64.129 -4.978 390 1HB LYS 49 2HB LYS 49 52.084 64.380 -3.361 391 2HB LYS 49 3HB LYS 49 53.098 65.381 -2.330 392 1HG LYS 49 2HG LYS 49 51.464 66.745 -3.460 393 2HG LYS 49 3HG LYS 49 53.081 67.138 -4.048 394 1HD LYS 49 2HD LYS 49 51.722 67.034 -5.970 395 2HD LYS 49 3HD LYS 49 52.619 65.514 -5.949 396 1HE LYS 49 2HE LYS 49 49.956 65.618 -4.621 397 2HE LYS 49 3HE LYS 49 50.016 65.576 -6.382 398 1HZ LYS 49 1HZ LYS 49 51.783 63.649 -5.322 399 2HZ LYS 49 2HZ LYS 49 50.432 63.417 -6.314 400 3HZ LYS 49 3HZ LYS 49 50.251 63.438 -4.632 401 H LYS 50 H LYS 50 54.884 66.368 -2.428 402 HA LYS 50 HA LYS 50 57.073 67.323 -4.069 403 1HB LYS 50 2HB LYS 50 55.266 68.629 -4.990 404 2HB LYS 50 3HB LYS 50 54.705 69.069 -3.382 405 1HG LYS 50 2HG LYS 50 56.378 70.602 -3.065 406 2HG LYS 50 3HG LYS 50 57.477 69.799 -4.190 407 1HD LYS 50 2HD LYS 50 54.955 70.950 -5.269 408 2HD LYS 50 3HD LYS 50 56.248 72.062 -4.812 409 1HE LYS 50 2HE LYS 50 56.764 71.654 -7.017 410 2HE LYS 50 3HE LYS 50 57.743 70.434 -6.205 411 1HZ LYS 50 1HZ LYS 50 56.617 68.813 -7.192 412 2HZ LYS 50 2HZ LYS 50 55.915 69.986 -8.187 413 3HZ LYS 50 3HZ LYS 50 55.117 69.481 -6.785 414 H ARG 51 H ARG 51 58.720 68.054 -2.853 415 HA ARG 51 HA ARG 51 58.203 68.435 0.023 416 1HB ARG 51 2HB ARG 51 60.369 67.581 0.493 417 2HB ARG 51 3HB ARG 51 59.647 66.478 -0.670 418 1HG ARG 51 2HG ARG 51 60.902 67.633 -2.469 419 2HG ARG 51 3HG ARG 51 61.701 68.604 -1.230 420 1HD ARG 51 2HD ARG 51 62.780 66.721 -0.308 421 2HD ARG 51 3HD ARG 51 61.741 65.600 -1.187 422 HE ARG 51 HE ARG 51 63.139 65.778 -2.986 423 1HH1 ARG 51 2HH1 ARG 51 63.751 68.425 -0.809 424 2HH1 ARG 51 1HH1 ARG 51 65.141 68.988 -1.678 425 1HH2 ARG 51 2HH2 ARG 51 64.967 66.510 -4.137 426 2HH2 ARG 51 1HH2 ARG 51 65.830 67.899 -3.571 427 H PHE 52 H PHE 52 58.828 70.284 0.990 428 HA PHE 52 HA PHE 52 60.268 72.250 -0.668 429 1HB PHE 52 2HB PHE 52 59.061 73.975 0.738 430 2HB PHE 52 3HB PHE 52 58.044 73.050 -0.362 431 HD1 PHE 52 1HD PHE 52 58.960 73.599 3.144 432 HD2 PHE 52 2HD PHE 52 56.389 71.525 0.460 433 HE1 PHE 52 1HE PHE 52 57.515 72.957 5.030 434 HE2 PHE 52 2HE PHE 52 54.939 70.882 2.340 435 HZ PHE 52 HZ PHE 52 55.501 71.598 4.628 436 H GLY 53 H GLY 53 59.960 70.747 2.469 437 1HA GLY 53 2HA GLY 53 61.536 70.543 4.145 438 2HA GLY 53 3HA GLY 53 62.654 71.463 3.146 439 H LEU 54 H LEU 54 62.227 73.842 3.027 440 HA LEU 54 HA LEU 54 61.205 74.825 5.611 441 1HB LEU 54 2HB LEU 54 63.674 74.920 5.390 442 2HB LEU 54 3HB LEU 54 63.473 75.978 3.995 443 HG LEU 54 HG LEU 54 62.549 77.717 5.381 444 1HD1 LEU 54 1HD1 LEU 54 62.769 77.166 7.968 445 2HD1 LEU 54 2HD1 LEU 54 62.419 75.539 7.387 446 3HD1 LEU 54 3HD1 LEU 54 61.289 76.853 7.060 447 1HD2 LEU 54 1HD2 LEU 54 64.749 77.095 7.169 448 2HD2 LEU 54 2HD2 LEU 54 64.576 78.407 6.003 449 3HD2 LEU 54 3HD2 LEU 54 65.165 76.829 5.476 450 H VAL 55 H VAL 55 59.322 75.798 5.231 451 HA VAL 55 HA VAL 55 58.347 76.770 2.846 452 HB VAL 55 HB VAL 55 56.902 78.300 4.315 453 1HG1 VAL 55 1HG1 VAL 55 56.793 75.419 5.141 454 2HG1 VAL 55 2HG1 VAL 55 55.463 76.536 4.831 455 3HG1 VAL 55 3HG1 VAL 55 56.425 75.915 3.489 456 1HG2 VAL 55 1HG2 VAL 55 58.796 78.038 6.160 457 2HG2 VAL 55 2HG2 VAL 55 57.103 78.295 6.584 458 3HG2 VAL 55 3HG2 VAL 55 57.787 76.670 6.630 459 HA PRO 56 HA PRO 56 60.347 80.574 1.955 460 1HB PRO 56 2HB PRO 56 58.316 82.014 0.873 461 2HB PRO 56 3HB PRO 56 59.084 80.658 0.038 462 1HG PRO 56 2HG PRO 56 56.517 80.727 1.576 463 2HG PRO 56 3HG PRO 56 56.872 79.941 0.026 464 1HD PRO 56 2HD PRO 56 56.790 78.579 2.364 465 2HD PRO 56 3HD PRO 56 57.872 78.126 1.033 466 H GLY 57 H GLY 57 60.472 82.832 2.504 467 1HA GLY 57 2HA GLY 57 58.670 83.704 4.658 468 2HA GLY 57 3HA GLY 57 60.405 83.706 4.939 469 H GLN 58 H GLN 58 61.676 84.908 3.172 470 HA GLN 58 HA GLN 58 60.195 87.238 2.188 471 1HB GLN 58 2HB GLN 58 61.883 88.775 3.033 472 2HB GLN 58 3HB GLN 58 61.163 87.871 4.359 473 1HG GLN 58 2HG GLN 58 63.350 87.732 4.945 474 2HG GLN 58 3HG GLN 58 63.222 86.285 3.947 475 1HE2 GLN 58 1HE2 GLN 58 65.410 86.303 3.461 476 2HE2 GLN 58 2HE2 GLN 58 66.106 87.455 2.377 Start of MODEL 7 1 1H HIS 2 H HIS 2 10.033 21.270 25.608 2 HA HIS 2 HA HIS 2 11.947 22.025 23.498 3 1HB HIS 2 2HB HIS 2 12.286 22.127 26.497 4 2HB HIS 2 3HB HIS 2 13.645 22.195 25.378 5 HD1 HIS 2 1HD HIS 2 10.315 24.016 25.161 6 HD2 HIS 2 2HD HIS 2 14.382 24.803 25.488 7 HE1 HIS 2 1HE HIS 2 10.532 26.516 24.989 8 H LEU 3 H LEU 3 10.467 19.525 23.893 9 HA LEU 3 HA LEU 3 12.341 17.600 24.923 10 1HB LEU 3 2HB LEU 3 9.834 17.185 23.303 11 2HB LEU 3 3HB LEU 3 10.729 15.935 24.164 12 HG LEU 3 HG LEU 3 10.191 17.565 26.219 13 1HD1 LEU 3 1HD1 LEU 3 8.618 18.621 24.118 14 2HD1 LEU 3 2HD1 LEU 3 8.639 19.091 25.817 15 3HD1 LEU 3 3HD1 LEU 3 7.529 17.837 25.263 16 1HD2 LEU 3 1HD2 LEU 3 8.246 16.105 26.680 17 2HD2 LEU 3 2HD2 LEU 3 9.682 15.212 26.175 18 3HD2 LEU 3 3HD2 LEU 3 8.362 15.482 25.035 19 H MET 4 H MET 4 13.482 16.042 23.742 20 HA MET 4 HA MET 4 13.854 16.690 20.891 21 1HB MET 4 2HB MET 4 16.186 15.924 21.142 22 2HB MET 4 3HB MET 4 15.825 17.304 22.170 23 1HG MET 4 2HG MET 4 15.465 14.642 23.384 24 2HG MET 4 3HG MET 4 17.120 15.120 23.012 25 1HE MET 4 1HE MET 4 14.236 15.691 25.855 26 2HE MET 4 2HE MET 4 15.399 14.399 25.556 27 3HE MET 4 3HE MET 4 15.687 15.562 26.851 28 H TYR 5 H TYR 5 12.093 14.700 22.339 29 HA TYR 5 HA TYR 5 12.576 12.507 20.544 30 1HB TYR 5 2HB TYR 5 12.804 10.773 22.237 31 2HB TYR 5 3HB TYR 5 14.101 11.951 22.410 32 HD1 TYR 5 1HD TYR 5 11.527 10.183 24.087 33 HD2 TYR 5 2HD TYR 5 13.727 13.823 24.170 34 HE1 TYR 5 1HE TYR 5 10.927 10.485 26.454 35 HE2 TYR 5 2HE TYR 5 13.134 14.134 26.536 36 HH TYR 5 HH TYR 5 11.653 13.438 28.171 37 H THR 6 H THR 6 10.674 11.744 19.899 38 HA THR 6 HA THR 6 8.264 12.600 21.253 39 HB THR 6 HB THR 6 7.062 11.652 19.356 40 HG1 THR 6 1HG THR 6 8.187 9.861 18.772 41 1HG2 THR 6 1HG2 THR 6 7.535 13.643 18.457 42 2HG2 THR 6 2HG2 THR 6 8.835 12.840 17.576 43 3HG2 THR 6 3HG2 THR 6 9.169 13.627 19.117 44 H LEU 7 H LEU 7 6.828 11.333 22.333 45 HA LEU 7 HA LEU 7 7.738 8.639 23.020 46 1HB LEU 7 2HB LEU 7 5.619 10.389 24.257 47 2HB LEU 7 3HB LEU 7 6.075 8.788 24.837 48 HG LEU 7 HG LEU 7 7.750 11.293 24.874 49 1HD1 LEU 7 1HD1 LEU 7 5.884 10.686 26.623 50 2HD1 LEU 7 2HD1 LEU 7 7.438 11.340 27.137 51 3HD1 LEU 7 3HD1 LEU 7 7.132 9.606 27.245 52 1HD2 LEU 7 1HD2 LEU 7 9.087 9.344 26.299 53 2HD2 LEU 7 2HD2 LEU 7 9.524 9.956 24.704 54 3HD2 LEU 7 3HD2 LEU 7 8.540 8.499 24.851 55 H GLY 8 H GLY 8 6.092 6.920 23.248 56 1HA GLY 8 2HA GLY 8 4.285 6.994 20.941 57 2HA GLY 8 3HA GLY 8 4.837 5.548 21.775 58 HA PRO 9 HA PRO 9 0.476 6.536 23.095 59 1HB PRO 9 2HB PRO 9 -0.517 4.063 22.573 60 2HB PRO 9 3HB PRO 9 -0.448 5.346 21.359 61 1HG PRO 9 2HG PRO 9 1.410 3.037 21.782 62 2HG PRO 9 3HG PRO 9 0.762 3.688 20.265 63 1HD PRO 9 2HD PRO 9 3.261 4.252 21.142 64 2HD PRO 9 3HD PRO 9 2.297 5.407 20.200 65 H ASP 10 H ASP 10 2.887 4.186 23.839 66 HA ASP 10 HA ASP 10 1.526 3.520 26.363 67 1HB ASP 10 2HB ASP 10 2.397 1.732 24.618 68 2HB ASP 10 3HB ASP 10 3.937 2.027 25.423 69 H GLY 11 H GLY 11 4.242 5.105 24.967 70 1HA GLY 11 2HA GLY 11 5.254 6.795 26.484 71 2HA GLY 11 3HA GLY 11 5.375 5.502 27.669 72 H LYS 12 H LYS 12 5.983 4.560 24.447 73 HA LYS 12 HA LYS 12 8.715 3.944 25.066 74 1HB LYS 12 2HB LYS 12 6.891 3.489 22.746 75 2HB LYS 12 3HB LYS 12 8.625 3.349 22.488 76 1HG LYS 12 2HG LYS 12 7.404 1.898 24.779 77 2HG LYS 12 3HG LYS 12 7.171 1.268 23.146 78 1HD LYS 12 2HD LYS 12 9.912 2.029 24.062 79 2HD LYS 12 3HD LYS 12 9.216 0.491 24.576 80 1HE LYS 12 2HE LYS 12 9.046 -0.293 22.367 81 2HE LYS 12 3HE LYS 12 9.272 1.320 21.690 82 1HZ LYS 12 1HZ LYS 12 11.277 -0.505 22.837 83 2HZ LYS 12 2HZ LYS 12 11.562 1.162 22.838 84 3HZ LYS 12 3HZ LYS 12 11.319 0.346 21.376 85 H ARG 13 H ARG 13 10.338 5.333 24.920 86 HA ARG 13 HA ARG 13 10.127 7.878 23.722 87 1HB ARG 13 2HB ARG 13 12.669 6.397 24.415 88 2HB ARG 13 3HB ARG 13 12.474 8.136 24.239 89 1HG ARG 13 2HG ARG 13 11.260 8.317 26.232 90 2HG ARG 13 3HG ARG 13 10.955 6.580 26.301 91 1HD ARG 13 2HD ARG 13 12.761 6.335 27.567 92 2HD ARG 13 3HD ARG 13 13.753 6.925 26.235 93 HE ARG 13 HE ARG 13 12.962 8.381 28.594 94 1HH1 ARG 13 2HH1 ARG 13 14.086 8.605 25.306 95 2HH1 ARG 13 1HH1 ARG 13 14.761 10.188 25.507 96 1HH2 ARG 13 2HH2 ARG 13 13.846 10.465 28.871 97 2HH2 ARG 13 1HH2 ARG 13 14.624 11.245 27.535 98 H ILE 14 H ILE 14 11.052 8.720 21.847 99 HA ILE 14 HA ILE 14 12.282 6.883 19.949 100 HB ILE 14 HB ILE 14 9.780 8.441 19.286 101 1HG1 ILE 14 2HG1 ILE 14 10.293 5.459 19.331 102 2HG1 ILE 14 3HG1 ILE 14 9.389 6.349 20.550 103 1HG2 ILE 14 1HG2 ILE 14 11.333 8.495 17.432 104 2HG2 ILE 14 2HG2 ILE 14 11.557 6.749 17.534 105 3HG2 ILE 14 3HG2 ILE 14 9.993 7.411 17.057 106 1HD1 ILE 14 1HD1 ILE 14 8.536 5.330 17.983 107 2HD1 ILE 14 2HD1 ILE 14 7.580 5.867 19.364 108 3HD1 ILE 14 3HD1 ILE 14 8.155 7.041 18.180 109 H TYR 15 H TYR 15 14.129 7.932 19.572 110 HA TYR 15 HA TYR 15 14.565 10.676 19.793 111 1HB TYR 15 2HB TYR 15 16.107 8.819 17.979 112 2HB TYR 15 3HB TYR 15 16.687 10.293 18.745 113 HD1 TYR 15 1HD TYR 15 16.994 6.897 18.873 114 HD2 TYR 15 2HD TYR 15 16.200 10.174 21.468 115 HE1 TYR 15 1HE TYR 15 17.811 5.577 20.781 116 HE2 TYR 15 2HE TYR 15 17.016 8.863 23.382 117 HH TYR 15 HH TYR 15 18.133 5.516 22.975 118 H THR 16 H THR 16 13.221 12.023 18.712 119 HA THR 16 HA THR 16 13.297 11.881 15.772 120 HB THR 16 HB THR 16 10.885 12.921 17.232 121 HG1 THR 16 1HG THR 16 11.425 10.235 16.445 122 1HG2 THR 16 1HG2 THR 16 11.610 12.200 14.440 123 2HG2 THR 16 2HG2 THR 16 10.629 13.536 15.046 124 3HG2 THR 16 3HG2 THR 16 9.949 11.912 14.958 125 H LEU 17 H LEU 17 14.835 13.440 17.801 126 HA LEU 17 HA LEU 17 14.012 16.098 17.936 127 1HB LEU 17 2HB LEU 17 15.830 15.293 19.278 128 2HB LEU 17 3HB LEU 17 16.779 14.910 17.842 129 HG LEU 17 HG LEU 17 17.099 17.248 17.367 130 1HD1 LEU 17 1HD1 LEU 17 16.263 18.924 19.089 131 2HD1 LEU 17 2HD1 LEU 17 15.160 17.657 19.623 132 3HD1 LEU 17 3HD1 LEU 17 15.072 18.263 17.969 133 1HD2 LEU 17 1HD2 LEU 17 18.841 17.020 18.729 134 2HD2 LEU 17 2HD2 LEU 17 17.923 16.002 19.839 135 3HD2 LEU 17 3HD2 LEU 17 17.858 17.758 19.994 136 H LYS 18 H LYS 18 15.298 14.287 15.295 137 HA LYS 18 HA LYS 18 16.452 16.219 13.698 138 1HB LYS 18 2HB LYS 18 16.093 13.652 13.330 139 2HB LYS 18 3HB LYS 18 14.639 14.164 12.485 140 1HG LYS 18 2HG LYS 18 16.228 15.720 11.173 141 2HG LYS 18 3HG LYS 18 17.501 14.661 11.785 142 1HD LYS 18 2HD LYS 18 15.104 13.424 10.525 143 2HD LYS 18 3HD LYS 18 16.304 14.187 9.480 144 1HE LYS 18 2HE LYS 18 16.936 12.091 11.553 145 2HE LYS 18 3HE LYS 18 16.668 11.748 9.845 146 1HZ LYS 18 1HZ LYS 18 18.541 13.778 9.946 147 2HZ LYS 18 2HZ LYS 18 18.806 12.162 9.525 148 3HZ LYS 18 3HZ LYS 18 19.018 12.663 11.126 149 H LYS 19 H LYS 19 13.091 15.695 14.432 150 HA LYS 19 HA LYS 19 11.943 17.159 12.319 151 1HB LYS 19 2HB LYS 19 11.067 16.125 14.937 152 2HB LYS 19 3HB LYS 19 10.177 17.529 14.360 153 1HG LYS 19 2HG LYS 19 9.118 15.411 13.723 154 2HG LYS 19 3HG LYS 19 9.595 16.374 12.323 155 1HD LYS 19 2HD LYS 19 11.318 14.941 11.758 156 2HD LYS 19 3HD LYS 19 11.462 14.303 13.398 157 1HE LYS 19 2HE LYS 19 10.499 12.587 12.073 158 2HE LYS 19 3HE LYS 19 9.205 13.247 13.073 159 1HZ LYS 19 1HZ LYS 19 8.858 14.750 10.975 160 2HZ LYS 19 2HZ LYS 19 8.187 13.200 11.052 161 3HZ LYS 19 3HZ LYS 19 9.613 13.462 10.181 162 H VAL 20 H VAL 20 11.070 19.286 12.302 163 HA VAL 20 HA VAL 20 12.713 21.181 13.794 164 HB VAL 20 HB VAL 20 10.782 21.663 11.522 165 1HG1 VAL 20 1HG1 VAL 20 12.048 23.858 11.394 166 2HG1 VAL 20 2HG1 VAL 20 10.929 23.674 12.746 167 3HG1 VAL 20 3HG1 VAL 20 12.663 23.481 13.003 168 1HG2 VAL 20 1HG2 VAL 20 13.554 22.179 10.946 169 2HG2 VAL 20 2HG2 VAL 20 13.331 20.514 11.482 170 3HG2 VAL 20 3HG2 VAL 20 12.414 21.128 10.107 171 H THR 21 H THR 21 11.963 22.514 15.339 172 HA THR 21 HA THR 21 9.438 21.995 16.534 173 HB THR 21 HB THR 21 11.122 24.423 17.119 174 HG1 THR 21 1HG THR 21 12.640 22.904 17.364 175 1HG2 THR 21 1HG2 THR 21 10.302 23.561 19.494 176 2HG2 THR 21 2HG2 THR 21 9.017 22.853 18.513 177 3HG2 THR 21 3HG2 THR 21 9.294 24.594 18.481 178 H GLU 22 H GLU 22 7.568 22.643 15.699 179 HA GLU 22 HA GLU 22 7.430 25.027 14.044 180 1HB GLU 22 2HB GLU 22 5.364 22.948 14.777 181 2HB GLU 22 3HB GLU 22 5.040 24.327 13.736 182 1HG GLU 22 2HG GLU 22 6.879 23.501 12.241 183 2HG GLU 22 3HG GLU 22 6.910 22.034 13.218 184 H SER 23 H SER 23 7.168 26.941 14.967 185 HA SER 23 HA SER 23 5.869 27.140 17.572 186 1HB SER 23 2HB SER 23 6.968 29.525 16.147 187 2HB SER 23 3HB SER 23 6.981 29.142 17.868 188 HG SER 23 HG SER 23 8.910 28.754 16.107 189 H GLY 24 H GLY 24 5.364 27.977 14.225 190 1HA GLY 24 2HA GLY 24 2.849 28.079 13.789 191 2HA GLY 24 3HA GLY 24 2.881 29.390 14.959 192 H GLU 25 H GLU 25 1.901 30.583 13.137 193 HA GLU 25 HA GLU 25 3.420 31.150 10.802 194 1HB GLU 25 2HB GLU 25 0.985 31.396 10.851 195 2HB GLU 25 3HB GLU 25 1.126 32.671 12.052 196 1HG GLU 25 2HG GLU 25 1.886 34.211 10.537 197 2HG GLU 25 3HG GLU 25 2.534 32.984 9.450 198 H ILE 26 H ILE 26 5.121 32.433 10.589 199 HA ILE 26 HA ILE 26 5.784 34.284 12.755 200 HB ILE 26 HB ILE 26 7.509 32.669 12.007 201 1HG1 ILE 26 2HG1 ILE 26 8.328 35.498 11.342 202 2HG1 ILE 26 3HG1 ILE 26 8.019 34.956 12.988 203 1HG2 ILE 26 1HG2 ILE 26 7.827 34.265 9.498 204 2HG2 ILE 26 2HG2 ILE 26 8.427 32.653 9.881 205 3HG2 ILE 26 3HG2 ILE 26 6.712 32.901 9.555 206 1HD1 ILE 26 1HD1 ILE 26 10.311 34.772 12.790 207 2HD1 ILE 26 2HD1 ILE 26 9.760 33.129 12.464 208 3HD1 ILE 26 3HD1 ILE 26 10.224 34.185 11.130 209 H THR 27 H THR 27 6.183 36.460 12.428 210 HA THR 27 HA THR 27 4.832 37.622 10.137 211 HB THR 27 HB THR 27 5.300 39.801 11.317 212 HG1 THR 27 1HG THR 27 6.302 39.777 13.243 213 1HG2 THR 27 1HG2 THR 27 3.961 38.124 13.348 214 2HG2 THR 27 2HG2 THR 27 3.316 38.019 11.709 215 3HG2 THR 27 3HG2 THR 27 3.397 39.579 12.527 216 H LYS 28 H LYS 28 5.815 39.465 8.980 217 HA LYS 28 HA LYS 28 8.670 38.955 8.482 218 1HB LYS 28 2HB LYS 28 8.179 40.123 6.271 219 2HB LYS 28 3HB LYS 28 7.476 38.526 6.493 220 1HG LYS 28 2HG LYS 28 5.828 40.862 7.271 221 2HG LYS 28 3HG LYS 28 6.087 40.577 5.549 222 1HD LYS 28 2HD LYS 28 5.262 38.307 7.306 223 2HD LYS 28 3HD LYS 28 4.053 39.484 6.784 224 1HE LYS 28 2HE LYS 28 3.902 37.946 5.091 225 2HE LYS 28 3HE LYS 28 5.110 39.042 4.423 226 1HZ LYS 28 1HZ LYS 28 6.681 37.476 4.511 227 2HZ LYS 28 2HZ LYS 28 5.407 36.374 4.662 228 3HZ LYS 28 3HZ LYS 28 6.213 36.930 6.041 229 H SER 29 H SER 29 9.794 40.971 7.519 230 HA SER 29 HA SER 29 9.131 43.267 9.242 231 1HB SER 29 2HB SER 29 11.367 41.952 9.519 232 2HB SER 29 3HB SER 29 11.861 42.825 8.068 233 HG SER 29 HG SER 29 12.293 43.802 10.240 234 H ALA 30 H ALA 30 9.527 45.393 8.398 235 HA ALA 30 HA ALA 30 9.641 45.551 5.464 236 1HB ALA 30 1HB ALA 30 7.877 47.509 6.770 237 2HB ALA 30 2HB ALA 30 7.680 46.634 5.251 238 3HB ALA 30 3HB ALA 30 7.300 45.842 6.780 239 H HIS 31 H HIS 31 10.445 47.521 4.619 240 HA HIS 31 HA HIS 31 12.456 48.735 6.254 241 1HB HIS 31 2HB HIS 31 11.744 48.675 3.428 242 2HB HIS 31 3HB HIS 31 12.265 50.273 3.951 243 HD1 HIS 31 1HD HIS 31 13.594 46.808 4.814 244 HD2 HIS 31 2HD HIS 31 14.874 50.454 3.287 245 HE1 HIS 31 1HE HIS 31 16.074 46.560 4.473 246 HA PRO 32 HA PRO 32 10.422 52.325 7.738 247 1HB PRO 32 2HB PRO 32 12.327 54.239 7.464 248 2HB PRO 32 3HB PRO 32 12.421 52.957 8.677 249 1HG PRO 32 2HG PRO 32 13.766 53.142 6.009 250 2HG PRO 32 3HG PRO 32 14.432 52.609 7.564 251 1HD PRO 32 2HD PRO 32 13.633 50.869 5.649 252 2HD PRO 32 3HD PRO 32 13.509 50.505 7.382 253 H ALA 33 H ALA 33 10.351 54.873 7.124 254 HA ALA 33 HA ALA 33 8.947 54.960 4.633 255 1HB ALA 33 1HB ALA 33 8.447 56.276 6.778 256 2HB ALA 33 2HB ALA 33 9.708 57.381 6.230 257 3HB ALA 33 3HB ALA 33 8.278 57.112 5.234 258 H ARG 34 H ARG 34 9.918 55.097 2.725 259 HA ARG 34 HA ARG 34 12.585 55.654 2.251 260 1HB ARG 34 2HB ARG 34 10.141 55.775 0.514 261 2HB ARG 34 3HB ARG 34 11.707 56.259 -0.123 262 1HG ARG 34 2HG ARG 34 12.371 53.890 0.945 263 2HG ARG 34 3HG ARG 34 10.678 53.582 0.551 264 1HD ARG 34 2HD ARG 34 12.826 54.538 -1.338 265 2HD ARG 34 3HD ARG 34 12.098 52.934 -1.302 266 HE ARG 34 HE ARG 34 10.051 54.796 -1.646 267 1HH1 ARG 34 2HH1 ARG 34 12.832 53.597 -3.364 268 2HH1 ARG 34 1HH1 ARG 34 12.154 53.894 -4.930 269 1HH2 ARG 34 2HH2 ARG 34 9.149 55.192 -3.704 270 2HH2 ARG 34 1HH2 ARG 34 10.061 54.802 -5.123 271 H PHE 35 H PHE 35 13.781 57.449 2.068 272 HA PHE 35 HA PHE 35 12.481 60.026 1.640 273 1HB PHE 35 2HB PHE 35 13.503 61.077 3.539 274 2HB PHE 35 3HB PHE 35 12.660 59.644 4.118 275 HD1 PHE 35 1HD PHE 35 13.905 57.683 4.862 276 HD2 PHE 35 2HD PHE 35 15.889 61.242 3.631 277 HE1 PHE 35 1HE PHE 35 15.978 56.891 5.925 278 HE2 PHE 35 2HE PHE 35 17.966 60.455 4.691 279 HZ PHE 35 HZ PHE 35 18.012 58.276 5.840 280 H SER 36 H SER 36 13.649 61.365 0.389 281 HA SER 36 HA SER 36 16.498 61.302 0.240 282 1HB SER 36 2HB SER 36 15.728 59.260 -1.119 283 2HB SER 36 3HB SER 36 15.110 60.425 -2.289 284 HG SER 36 HG SER 36 17.771 60.556 -1.362 285 HA PRO 37 HA PRO 37 14.353 65.221 -1.034 286 1HB PRO 37 2HB PRO 37 15.758 66.814 0.657 287 2HB PRO 37 3HB PRO 37 14.279 65.974 1.136 288 1HG PRO 37 2HG PRO 37 17.132 65.219 1.635 289 2HG PRO 37 3HG PRO 37 15.747 65.155 2.742 290 1HD PRO 37 2HD PRO 37 16.692 62.963 1.463 291 2HD PRO 37 3HD PRO 37 14.974 63.170 1.862 292 H ASP 38 H ASP 38 17.790 64.711 -0.259 293 HA ASP 38 HA ASP 38 18.836 66.744 -1.869 294 1HB ASP 38 2HB ASP 38 20.243 64.122 -1.405 295 2HB ASP 38 3HB ASP 38 20.946 65.729 -1.564 296 H ASP 39 H ASP 39 18.160 66.935 -3.930 297 HA ASP 39 HA ASP 39 17.924 64.607 -5.642 298 1HB ASP 39 2HB ASP 39 17.332 67.537 -5.987 299 2HB ASP 39 3HB ASP 39 17.338 66.442 -7.367 300 H LYS 40 H LYS 40 19.710 67.693 -5.805 301 HA LYS 40 HA LYS 40 21.578 66.480 -7.697 302 1HB LYS 40 2HB LYS 40 20.673 68.674 -8.274 303 2HB LYS 40 3HB LYS 40 21.277 69.341 -6.763 304 1HG LYS 40 2HG LYS 40 22.934 70.027 -8.148 305 2HG LYS 40 3HG LYS 40 23.579 68.443 -7.713 306 1HD LYS 40 2HD LYS 40 21.929 67.909 -9.865 307 2HD LYS 40 3HD LYS 40 22.683 69.447 -10.290 308 1HE LYS 40 2HE LYS 40 24.490 67.411 -9.169 309 2HE LYS 40 3HE LYS 40 23.801 67.027 -10.745 310 1HZ LYS 40 1HZ LYS 40 25.873 68.193 -11.011 311 2HZ LYS 40 2HZ LYS 40 25.332 69.474 -10.049 312 3HZ LYS 40 3HZ LYS 40 24.610 69.181 -11.550 313 H TYR 41 H TYR 41 22.178 68.881 -5.154 314 HA TYR 41 HA TYR 41 24.504 67.288 -4.322 315 1HB TYR 41 2HB TYR 41 25.203 69.499 -3.232 316 2HB TYR 41 3HB TYR 41 25.248 69.422 -4.990 317 HD1 TYR 41 1HD TYR 41 23.593 70.633 -6.331 318 HD2 TYR 41 2HD TYR 41 23.630 70.922 -2.086 319 HE1 TYR 41 1HE TYR 41 22.148 72.618 -6.460 320 HE2 TYR 41 2HE TYR 41 22.185 72.908 -2.203 321 HH TYR 41 HH TYR 41 21.410 74.541 -3.630 322 H SER 42 H SER 42 21.796 69.190 -3.045 323 HA SER 42 HA SER 42 21.609 67.423 -0.762 324 1HB SER 42 2HB SER 42 22.076 68.943 0.935 325 2HB SER 42 3HB SER 42 23.285 69.379 -0.274 326 HG SER 42 HG SER 42 22.177 71.210 0.547 327 H ARG 43 H ARG 43 19.901 68.821 0.827 328 HA ARG 43 HA ARG 43 17.468 68.665 -0.642 329 1HB ARG 43 2HB ARG 43 17.867 69.836 2.113 330 2HB ARG 43 3HB ARG 43 16.375 69.200 1.434 331 1HG ARG 43 2HG ARG 43 16.896 67.328 2.524 332 2HG ARG 43 3HG ARG 43 18.053 67.059 1.219 333 1HD ARG 43 2HD ARG 43 19.465 66.859 2.993 334 2HD ARG 43 3HD ARG 43 19.566 68.603 2.755 335 HE ARG 43 HE ARG 43 17.536 68.375 4.503 336 1HH1 ARG 43 2HH1 ARG 43 20.751 67.039 4.447 337 2HH1 ARG 43 1HH1 ARG 43 20.902 66.993 6.173 338 1HH2 ARG 43 2HH2 ARG 43 17.724 68.320 6.776 339 2HH2 ARG 43 1HH2 ARG 43 19.179 67.721 7.496 340 H GLN 44 H GLN 44 19.605 71.253 0.270 341 HA GLN 44 HA GLN 44 17.960 73.464 0.134 342 1HB GLN 44 2HB GLN 44 20.573 73.172 0.524 343 2HB GLN 44 3HB GLN 44 20.635 73.636 -1.171 344 1HG GLN 44 2HG GLN 44 19.132 75.254 0.855 345 2HG GLN 44 3HG GLN 44 20.858 75.475 0.574 346 1HE2 GLN 44 1HE2 GLN 44 18.130 76.908 -0.042 347 2HE2 GLN 44 2HE2 GLN 44 18.388 77.500 -1.644 348 H ARG 45 H ARG 45 19.308 71.546 -2.481 349 HA ARG 45 HA ARG 45 18.739 73.275 -4.614 350 1HB ARG 45 2HB ARG 45 20.056 70.986 -4.484 351 2HB ARG 45 3HB ARG 45 18.503 70.319 -4.970 352 1HG ARG 45 2HG ARG 45 19.455 72.619 -6.544 353 2HG ARG 45 3HG ARG 45 20.394 71.133 -6.694 354 1HD ARG 45 2HD ARG 45 18.869 70.624 -8.270 355 2HD ARG 45 3HD ARG 45 17.884 70.153 -6.886 356 HE ARG 45 HE ARG 45 17.528 72.899 -7.446 357 1HH1 ARG 45 2HH1 ARG 45 16.718 69.737 -8.659 358 2HH1 ARG 45 1HH1 ARG 45 15.253 70.261 -9.420 359 1HH2 ARG 45 2HH2 ARG 45 15.601 73.601 -8.443 360 2HH2 ARG 45 1HH2 ARG 45 14.618 72.460 -9.298 361 H VAL 46 H VAL 46 16.747 70.944 -2.901 362 HA VAL 46 HA VAL 46 14.587 70.801 -4.670 363 HB VAL 46 HB VAL 46 14.540 70.630 -1.653 364 1HG1 VAL 46 1HG1 VAL 46 12.464 69.331 -1.998 365 2HG1 VAL 46 2HG1 VAL 46 12.315 71.013 -2.507 366 3HG1 VAL 46 3HG1 VAL 46 12.523 69.742 -3.712 367 1HG2 VAL 46 1HG2 VAL 46 14.646 68.391 -3.667 368 2HG2 VAL 46 2HG2 VAL 46 16.065 69.037 -2.842 369 3HG2 VAL 46 3HG2 VAL 46 14.779 68.269 -1.912 370 H THR 47 H THR 47 15.304 73.102 -2.085 371 HA THR 47 HA THR 47 12.877 74.489 -2.076 372 HB THR 47 HB THR 47 15.421 75.998 -1.651 373 HG1 THR 47 1HG THR 47 14.491 74.309 0.397 374 1HG2 THR 47 1HG2 THR 47 13.817 76.326 0.538 375 2HG2 THR 47 2HG2 THR 47 12.633 76.072 -0.745 376 3HG2 THR 47 3HG2 THR 47 13.815 77.372 -0.882 377 H LEU 48 H LEU 48 12.350 76.575 -2.960 378 HA LEU 48 HA LEU 48 12.662 76.774 -5.712 379 1HB LEU 48 2HB LEU 48 11.483 78.769 -5.594 380 2HB LEU 48 3HB LEU 48 10.948 77.883 -4.167 381 HG LEU 48 HG LEU 48 13.016 80.080 -4.149 382 1HD1 LEU 48 1HD1 LEU 48 11.174 81.346 -2.980 383 2HD1 LEU 48 2HD1 LEU 48 10.066 80.107 -3.568 384 3HD1 LEU 48 3HD1 LEU 48 10.962 81.104 -4.714 385 1HD2 LEU 48 1HD2 LEU 48 13.467 78.797 -2.279 386 2HD2 LEU 48 2HD2 LEU 48 11.777 78.347 -2.051 387 3HD2 LEU 48 3HD2 LEU 48 12.317 79.978 -1.652 388 H LYS 49 H LYS 49 13.911 78.063 -7.058 389 HA LYS 49 HA LYS 49 16.349 79.158 -5.817 390 1HB LYS 49 2HB LYS 49 15.899 77.809 -8.471 391 2HB LYS 49 3HB LYS 49 17.321 78.798 -8.166 392 1HG LYS 49 2HG LYS 49 17.968 77.341 -6.334 393 2HG LYS 49 3HG LYS 49 16.517 76.367 -6.580 394 1HD LYS 49 2HD LYS 49 18.017 75.119 -7.767 395 2HD LYS 49 3HD LYS 49 17.476 76.214 -9.042 396 1HE LYS 49 2HE LYS 49 19.416 77.700 -8.435 397 2HE LYS 49 3HE LYS 49 19.993 76.397 -7.396 398 1HZ LYS 49 1HZ LYS 49 19.472 75.230 -9.836 399 2HZ LYS 49 2HZ LYS 49 20.992 75.570 -9.176 400 3HZ LYS 49 3HZ LYS 49 20.249 76.687 -10.206 401 H LYS 50 H LYS 50 13.795 80.542 -6.247 402 HA LYS 50 HA LYS 50 14.091 82.301 -8.480 403 1HB LYS 50 2HB LYS 50 12.274 82.137 -6.114 404 2HB LYS 50 3HB LYS 50 12.357 83.651 -7.006 405 1HG LYS 50 2HG LYS 50 10.582 82.540 -7.994 406 2HG LYS 50 3HG LYS 50 11.927 82.205 -9.088 407 1HD LYS 50 2HD LYS 50 12.155 80.005 -8.314 408 2HD LYS 50 3HD LYS 50 11.212 80.327 -6.857 409 1HE LYS 50 2HE LYS 50 9.188 80.449 -8.096 410 2HE LYS 50 3HE LYS 50 10.053 80.462 -9.632 411 1HZ LYS 50 1HZ LYS 50 10.189 78.252 -9.644 412 2HZ LYS 50 2HZ LYS 50 9.006 78.269 -8.436 413 3HZ LYS 50 3HZ LYS 50 10.641 78.161 -8.016 414 H ARG 51 H ARG 51 15.591 83.823 -8.627 415 HA ARG 51 HA ARG 51 16.145 85.500 -6.293 416 1HB ARG 51 2HB ARG 51 17.875 83.572 -6.703 417 2HB ARG 51 3HB ARG 51 18.443 84.618 -7.998 418 1HG ARG 51 2HG ARG 51 18.865 86.401 -6.408 419 2HG ARG 51 3HG ARG 51 18.234 85.399 -5.098 420 1HD ARG 51 2HD ARG 51 20.603 84.670 -6.813 421 2HD ARG 51 3HD ARG 51 20.720 85.449 -5.236 422 HE ARG 51 HE ARG 51 19.214 83.209 -4.797 423 1HH1 ARG 51 2HH1 ARG 51 22.370 83.852 -6.119 424 2HH1 ARG 51 1HH1 ARG 51 23.037 82.338 -5.606 425 1HH2 ARG 51 2HH2 ARG 51 20.081 81.213 -4.116 426 2HH2 ARG 51 1HH2 ARG 51 21.734 80.837 -4.466 427 H PHE 52 H PHE 52 17.281 87.515 -6.874 428 HA PHE 52 HA PHE 52 17.378 89.448 -8.069 429 1HB PHE 52 2HB PHE 52 17.784 87.454 -10.300 430 2HB PHE 52 3HB PHE 52 17.933 89.194 -10.522 431 HD1 PHE 52 1HD PHE 52 19.300 86.325 -8.615 432 HD2 PHE 52 2HD PHE 52 19.926 90.296 -10.014 433 HE1 PHE 52 1HE PHE 52 21.645 86.210 -7.882 434 HE2 PHE 52 2HE PHE 52 22.272 90.187 -9.283 435 HZ PHE 52 HZ PHE 52 23.136 88.142 -8.216 436 H GLY 53 H GLY 53 14.810 88.587 -7.448 437 1HA GLY 53 2HA GLY 53 13.159 88.814 -9.822 438 2HA GLY 53 3HA GLY 53 12.594 88.612 -8.169 439 H LEU 54 H LEU 54 14.470 91.057 -9.971 440 HA LEU 54 HA LEU 54 13.371 93.204 -8.438 441 1HB LEU 54 2HB LEU 54 15.042 93.100 -10.935 442 2HB LEU 54 3HB LEU 54 14.496 94.615 -10.221 443 HG LEU 54 HG LEU 54 16.023 92.689 -8.530 444 1HD1 LEU 54 1HD1 LEU 54 17.413 94.673 -10.303 445 2HD1 LEU 54 2HD1 LEU 54 17.192 92.987 -10.772 446 3HD1 LEU 54 3HD1 LEU 54 18.115 93.386 -9.323 447 1HD2 LEU 54 1HD2 LEU 54 16.526 95.591 -8.518 448 2HD2 LEU 54 2HD2 LEU 54 16.322 94.465 -7.176 449 3HD2 LEU 54 3HD2 LEU 54 14.909 95.092 -8.025 450 H VAL 55 H VAL 55 12.604 91.673 -11.480 451 HA VAL 55 HA VAL 55 10.852 91.896 -12.916 452 HB VAL 55 HB VAL 55 9.535 93.500 -10.724 453 1HG1 VAL 55 1HG1 VAL 55 8.719 92.903 -13.334 454 2HG1 VAL 55 2HG1 VAL 55 7.803 91.821 -12.285 455 3HG1 VAL 55 3HG1 VAL 55 7.736 93.565 -12.028 456 1HG2 VAL 55 1HG2 VAL 55 10.010 90.586 -11.033 457 2HG2 VAL 55 2HG2 VAL 55 9.929 91.570 -9.571 458 3HG2 VAL 55 3HG2 VAL 55 8.446 91.104 -10.404 459 HA PRO 56 HA PRO 56 12.334 96.198 -13.945 460 1HB PRO 56 2HB PRO 56 13.462 95.509 -16.317 461 2HB PRO 56 3HB PRO 56 14.330 95.425 -14.780 462 1HG PRO 56 2HG PRO 56 12.990 93.236 -16.321 463 2HG PRO 56 3HG PRO 56 14.560 93.225 -15.497 464 1HD PRO 56 2HD PRO 56 12.336 92.126 -14.410 465 2HD PRO 56 3HD PRO 56 13.613 92.871 -13.426 466 H GLY 57 H GLY 57 10.594 97.316 -14.591 467 1HA GLY 57 2HA GLY 57 9.263 96.457 -17.083 468 2HA GLY 57 3HA GLY 57 8.340 97.012 -15.694 469 H GLN 58 H GLN 58 7.542 98.963 -16.065 470 HA GLN 58 HA GLN 58 8.732 100.769 -17.941 471 1HB GLN 58 2HB GLN 58 6.227 100.524 -16.532 472 2HB GLN 58 3HB GLN 58 6.833 102.171 -16.415 473 1HG GLN 58 2HG GLN 58 6.683 102.537 -18.673 474 2HG GLN 58 3HG GLN 58 6.812 100.823 -19.068 475 1HE2 GLN 58 1HE2 GLN 58 4.698 103.388 -18.074 476 2HE2 GLN 58 2HE2 GLN 58 3.213 102.546 -18.347 Start of MODEL 8 1 1H HIS 2 H HIS 2 12.384 21.947 26.088 2 HA HIS 2 HA HIS 2 10.089 20.783 25.015 3 1HB HIS 2 2HB HIS 2 10.962 22.592 23.217 4 2HB HIS 2 3HB HIS 2 11.919 21.199 22.720 5 HD1 HIS 2 1HD HIS 2 8.253 21.696 23.655 6 HD2 HIS 2 2HD HIS 2 10.623 19.880 20.766 7 HE1 HIS 2 1HE HIS 2 6.647 20.596 22.063 8 H LEU 3 H LEU 3 10.764 18.797 23.547 9 HA LEU 3 HA LEU 3 13.170 17.618 24.775 10 1HB LEU 3 2HB LEU 3 10.876 15.985 23.769 11 2HB LEU 3 3HB LEU 3 12.110 15.559 24.952 12 HG LEU 3 HG LEU 3 9.776 17.422 25.381 13 1HD1 LEU 3 1HD1 LEU 3 8.895 15.284 25.483 14 2HD1 LEU 3 2HD1 LEU 3 9.325 15.603 27.164 15 3HD1 LEU 3 3HD1 LEU 3 10.371 14.596 26.163 16 1HD2 LEU 3 1HD2 LEU 3 10.782 16.960 27.836 17 2HD2 LEU 3 2HD2 LEU 3 11.193 18.369 26.858 18 3HD2 LEU 3 3HD2 LEU 3 12.269 16.971 26.888 19 H MET 4 H MET 4 14.210 15.901 23.491 20 HA MET 4 HA MET 4 14.143 16.588 20.635 21 1HB MET 4 2HB MET 4 16.333 15.100 22.077 22 2HB MET 4 3HB MET 4 16.410 15.856 20.492 23 1HG MET 4 2HG MET 4 16.175 17.265 23.140 24 2HG MET 4 3HG MET 4 17.605 17.179 22.114 25 1HE MET 4 1HE MET 4 16.138 19.946 23.267 26 2HE MET 4 2HE MET 4 14.863 20.558 22.213 27 3HE MET 4 3HE MET 4 14.605 19.083 23.145 28 H TYR 5 H TYR 5 12.362 14.675 22.100 29 HA TYR 5 HA TYR 5 12.402 12.599 20.140 30 1HB TYR 5 2HB TYR 5 12.800 10.706 21.586 31 2HB TYR 5 3HB TYR 5 14.170 11.804 21.708 32 HD1 TYR 5 1HD TYR 5 11.682 10.002 23.511 33 HD2 TYR 5 2HD TYR 5 14.198 13.427 23.705 34 HE1 TYR 5 1HE TYR 5 11.414 10.052 25.956 35 HE2 TYR 5 2HE TYR 5 13.938 13.487 26.150 36 HH TYR 5 HH TYR 5 12.479 12.715 27.865 37 H THR 6 H THR 6 10.378 11.946 19.800 38 HA THR 6 HA THR 6 8.291 12.869 21.590 39 HB THR 6 HB THR 6 6.725 12.125 19.864 40 HG1 THR 6 1HG THR 6 7.521 11.146 17.975 41 1HG2 THR 6 1HG2 THR 6 7.370 14.285 19.381 42 2HG2 THR 6 2HG2 THR 6 7.841 13.458 17.896 43 3HG2 THR 6 3HG2 THR 6 9.055 13.836 19.118 44 H LEU 7 H LEU 7 6.718 11.543 22.549 45 HA LEU 7 HA LEU 7 7.650 8.820 23.093 46 1HB LEU 7 2HB LEU 7 5.588 10.493 24.520 47 2HB LEU 7 3HB LEU 7 6.133 8.892 25.013 48 HG LEU 7 HG LEU 7 7.711 11.459 25.044 49 1HD1 LEU 7 1HD1 LEU 7 6.306 11.304 26.942 50 2HD1 LEU 7 2HD1 LEU 7 7.915 10.816 27.472 51 3HD1 LEU 7 3HD1 LEU 7 6.679 9.595 27.168 52 1HD2 LEU 7 1HD2 LEU 7 9.523 10.213 24.687 53 2HD2 LEU 7 2HD2 LEU 7 8.616 8.708 24.830 54 3HD2 LEU 7 3HD2 LEU 7 9.228 9.510 26.278 55 H GLY 8 H GLY 8 6.198 7.040 23.057 56 1HA GLY 8 2HA GLY 8 4.151 7.322 20.992 57 2HA GLY 8 3HA GLY 8 4.816 5.812 21.597 58 HA PRO 9 HA PRO 9 0.567 6.641 23.430 59 1HB PRO 9 2HB PRO 9 -0.626 4.415 22.435 60 2HB PRO 9 3HB PRO 9 -0.582 5.952 21.563 61 1HG PRO 9 2HG PRO 9 1.151 3.535 21.229 62 2HG PRO 9 3HG PRO 9 0.414 4.563 19.987 63 1HD PRO 9 2HD PRO 9 3.013 4.789 20.712 64 2HD PRO 9 3HD PRO 9 2.046 6.179 20.179 65 H ASP 10 H ASP 10 3.010 4.295 23.504 66 HA ASP 10 HA ASP 10 1.733 2.810 25.688 67 1HB ASP 10 2HB ASP 10 3.397 1.109 25.352 68 2HB ASP 10 3HB ASP 10 2.747 1.546 23.774 69 H GLY 11 H GLY 11 4.116 5.185 25.042 70 1HA GLY 11 2HA GLY 11 4.860 6.533 26.926 71 2HA GLY 11 3HA GLY 11 4.968 5.052 27.865 72 H LYS 12 H LYS 12 6.075 4.384 24.822 73 HA LYS 12 HA LYS 12 8.803 4.257 25.724 74 1HB LYS 12 2HB LYS 12 7.287 3.353 23.330 75 2HB LYS 12 3HB LYS 12 9.022 3.580 23.149 76 1HG LYS 12 2HG LYS 12 7.952 1.963 25.420 77 2HG LYS 12 3HG LYS 12 8.096 1.256 23.809 78 1HD LYS 12 2HD LYS 12 10.467 1.749 23.770 79 2HD LYS 12 3HD LYS 12 10.348 2.576 25.325 80 1HE LYS 12 2HE LYS 12 9.642 0.460 26.366 81 2HE LYS 12 3HE LYS 12 9.826 -0.351 24.812 82 1HZ LYS 12 1HZ LYS 12 12.183 1.076 25.477 83 2HZ LYS 12 2HZ LYS 12 11.987 -0.577 25.170 84 3HZ LYS 12 3HZ LYS 12 11.767 0.023 26.736 85 H ARG 13 H ARG 13 10.605 5.110 24.403 86 HA ARG 13 HA ARG 13 9.953 7.799 23.392 87 1HB ARG 13 2HB ARG 13 12.456 8.201 23.895 88 2HB ARG 13 3HB ARG 13 11.329 8.135 25.245 89 1HG ARG 13 2HG ARG 13 12.658 5.610 24.436 90 2HG ARG 13 3HG ARG 13 13.629 6.832 25.262 91 1HD ARG 13 2HD ARG 13 12.555 6.543 27.226 92 2HD ARG 13 3HD ARG 13 10.993 6.285 26.453 93 HE ARG 13 HE ARG 13 12.647 4.068 25.958 94 1HH1 ARG 13 2HH1 ARG 13 10.924 5.610 28.560 95 2HH1 ARG 13 1HH1 ARG 13 10.686 4.142 29.448 96 1HH2 ARG 13 2HH2 ARG 13 12.341 2.127 27.116 97 2HH2 ARG 13 1HH2 ARG 13 11.492 2.161 28.626 98 H ILE 14 H ILE 14 10.887 8.532 21.489 99 HA ILE 14 HA ILE 14 12.552 6.677 19.964 100 HB ILE 14 HB ILE 14 10.006 7.864 18.854 101 1HG1 ILE 14 2HG1 ILE 14 10.704 4.965 19.358 102 2HG1 ILE 14 3HG1 ILE 14 9.689 5.937 20.417 103 1HG2 ILE 14 1HG2 ILE 14 10.962 7.619 16.864 104 2HG2 ILE 14 2HG2 ILE 14 12.396 6.898 17.592 105 3HG2 ILE 14 3HG2 ILE 14 11.023 5.881 17.157 106 1HD1 ILE 14 1HD1 ILE 14 7.972 5.208 19.222 107 2HD1 ILE 14 2HD1 ILE 14 8.546 6.252 17.921 108 3HD1 ILE 14 3HD1 ILE 14 9.028 4.556 17.968 109 H TYR 15 H TYR 15 14.305 7.948 19.775 110 HA TYR 15 HA TYR 15 14.430 10.701 19.675 111 1HB TYR 15 2HB TYR 15 16.226 8.503 18.783 112 2HB TYR 15 3HB TYR 15 16.587 10.125 18.204 113 HD1 TYR 15 1HD TYR 15 15.294 8.949 21.501 114 HD2 TYR 15 2HD TYR 15 18.448 10.858 19.377 115 HE1 TYR 15 1HE TYR 15 16.416 9.454 23.632 116 HE2 TYR 15 2HE TYR 15 19.579 11.367 21.501 117 HH TYR 15 HH TYR 15 19.618 10.932 23.717 118 H THR 16 H THR 16 13.267 11.939 18.347 119 HA THR 16 HA THR 16 13.564 11.518 15.459 120 HB THR 16 HB THR 16 11.367 10.571 16.168 121 HG1 THR 16 1HG THR 16 11.783 11.663 14.073 122 1HG2 THR 16 1HG2 THR 16 10.058 11.660 17.603 123 2HG2 THR 16 2HG2 THR 16 9.936 13.017 16.483 124 3HG2 THR 16 3HG2 THR 16 11.237 12.970 17.673 125 H LEU 17 H LEU 17 14.743 13.393 17.401 126 HA LEU 17 HA LEU 17 13.640 15.916 17.414 127 1HB LEU 17 2HB LEU 17 15.555 15.641 18.697 128 2HB LEU 17 3HB LEU 17 16.464 14.935 17.363 129 HG LEU 17 HG LEU 17 16.747 17.092 16.341 130 1HD1 LEU 17 1HD1 LEU 17 14.867 18.353 16.643 131 2HD1 LEU 17 2HD1 LEU 17 15.925 19.089 17.846 132 3HD1 LEU 17 3HD1 LEU 17 14.709 17.913 18.343 133 1HD2 LEU 17 1HD2 LEU 17 18.042 18.239 18.091 134 2HD2 LEU 17 2HD2 LEU 17 18.360 16.504 18.051 135 3HD2 LEU 17 3HD2 LEU 17 17.316 17.182 19.302 136 H LYS 18 H LYS 18 12.908 17.104 15.790 137 HA LYS 18 HA LYS 18 13.358 16.685 13.091 138 1HB LYS 18 2HB LYS 18 12.523 19.032 12.790 139 2HB LYS 18 3HB LYS 18 11.493 18.011 13.784 140 1HG LYS 18 2HG LYS 18 12.691 19.036 15.784 141 2HG LYS 18 3HG LYS 18 13.310 20.235 14.647 142 1HD LYS 18 2HD LYS 18 11.379 21.223 15.522 143 2HD LYS 18 3HD LYS 18 10.858 20.568 13.968 144 1HE LYS 18 2HE LYS 18 9.181 20.005 15.550 145 2HE LYS 18 3HE LYS 18 10.079 18.526 15.210 146 1HZ LYS 18 1HZ LYS 18 11.372 19.703 17.334 147 2HZ LYS 18 2HZ LYS 18 10.365 18.344 17.388 148 3HZ LYS 18 3HZ LYS 18 9.725 19.882 17.682 149 H LYS 19 H LYS 19 15.344 16.603 12.230 150 HA LYS 19 HA LYS 19 17.604 17.988 13.068 151 1HB LYS 19 2HB LYS 19 17.563 16.015 11.526 152 2HB LYS 19 3HB LYS 19 17.023 17.088 10.242 153 1HG LYS 19 2HG LYS 19 19.158 18.441 10.819 154 2HG LYS 19 3HG LYS 19 19.683 16.943 11.590 155 1HD LYS 19 2HD LYS 19 19.306 15.746 9.470 156 2HD LYS 19 3HD LYS 19 18.838 17.268 8.709 157 1HE LYS 19 2HE LYS 19 21.531 16.581 9.883 158 2HE LYS 19 3HE LYS 19 21.139 16.767 8.174 159 1HZ LYS 19 1HZ LYS 19 21.955 18.821 8.574 160 2HZ LYS 19 2HZ LYS 19 21.553 18.804 10.217 161 3HZ LYS 19 3HZ LYS 19 20.362 19.122 9.058 162 H VAL 20 H VAL 20 18.379 19.988 12.759 163 HA VAL 20 HA VAL 20 17.185 21.678 10.682 164 HB VAL 20 HB VAL 20 15.997 22.160 12.801 165 1HG1 VAL 20 1HG1 VAL 20 18.729 22.989 13.775 166 2HG1 VAL 20 2HG1 VAL 20 17.209 23.289 14.619 167 3HG1 VAL 20 3HG1 VAL 20 17.771 21.635 14.373 168 1HG2 VAL 20 1HG2 VAL 20 16.123 24.527 12.634 169 2HG2 VAL 20 2HG2 VAL 20 17.774 24.462 12.016 170 3HG2 VAL 20 3HG2 VAL 20 16.437 23.884 11.021 171 H THR 21 H THR 21 18.532 23.269 9.865 172 HA THR 21 HA THR 21 21.299 23.269 10.879 173 HB THR 21 HB THR 21 21.270 22.007 8.810 174 HG1 THR 21 1HG THR 21 22.829 23.215 7.744 175 1HG2 THR 21 1HG2 THR 21 20.635 23.246 6.681 176 2HG2 THR 21 2HG2 THR 21 19.824 24.414 7.724 177 3HG2 THR 21 3HG2 THR 21 19.303 22.729 7.715 178 H GLU 22 H GLU 22 22.539 25.212 10.329 179 HA GLU 22 HA GLU 22 21.140 27.566 10.982 180 1HB GLU 22 2HB GLU 22 23.918 27.068 9.929 181 2HB GLU 22 3HB GLU 22 23.330 28.689 10.270 182 1HG GLU 22 2HG GLU 22 23.037 28.173 12.582 183 2HG GLU 22 3HG GLU 22 23.386 26.469 12.296 184 H SER 23 H SER 23 20.075 28.991 9.773 185 HA SER 23 HA SER 23 19.605 28.534 7.022 186 1HB SER 23 2HB SER 23 19.064 31.139 8.445 187 2HB SER 23 3HB SER 23 18.176 30.425 7.099 188 HG SER 23 HG SER 23 16.998 30.035 8.929 189 H GLY 24 H GLY 24 21.478 31.031 8.732 190 1HA GLY 24 2HA GLY 24 23.698 31.331 7.411 191 2HA GLY 24 3HA GLY 24 22.602 31.893 6.158 192 H GLU 25 H GLU 25 22.476 32.447 9.660 193 HA GLU 25 HA GLU 25 22.420 35.327 9.115 194 1HB GLU 25 2HB GLU 25 20.639 34.019 10.518 195 2HB GLU 25 3HB GLU 25 21.841 34.126 11.798 196 1HG GLU 25 2HG GLU 25 20.881 36.542 10.304 197 2HG GLU 25 3HG GLU 25 20.050 35.920 11.729 198 H ILE 26 H ILE 26 24.211 36.455 9.415 199 HA ILE 26 HA ILE 26 26.234 35.424 11.290 200 HB ILE 26 HB ILE 26 27.020 35.569 8.974 201 1HG1 ILE 26 2HG1 ILE 26 28.321 37.781 10.561 202 2HG1 ILE 26 3HG1 ILE 26 28.495 36.085 10.997 203 1HG2 ILE 26 1HG2 ILE 26 27.164 38.456 8.797 204 2HG2 ILE 26 2HG2 ILE 26 26.584 37.280 7.619 205 3HG2 ILE 26 3HG2 ILE 26 25.499 37.881 8.873 206 1HD1 ILE 26 1HD1 ILE 26 30.105 35.824 9.507 207 2HD1 ILE 26 2HD1 ILE 26 29.077 36.446 8.216 208 3HD1 ILE 26 3HD1 ILE 26 30.036 37.557 9.193 209 H THR 27 H THR 27 27.207 36.803 12.765 210 HA THR 27 HA THR 27 25.944 39.449 13.074 211 HB THR 27 HB THR 27 26.147 39.190 15.522 212 HG1 THR 27 1HG THR 27 27.798 37.631 15.608 213 1HG2 THR 27 1HG2 THR 27 24.279 37.695 15.826 214 2HG2 THR 27 2HG2 THR 27 24.600 36.917 14.277 215 3HG2 THR 27 3HG2 THR 27 24.050 38.591 14.326 216 H LYS 28 H LYS 28 27.283 41.136 13.303 217 HA LYS 28 HA LYS 28 30.149 40.625 13.263 218 1HB LYS 28 2HB LYS 28 28.385 42.926 12.588 219 2HB LYS 28 3HB LYS 28 30.032 43.286 13.092 220 1HG LYS 28 2HG LYS 28 30.221 43.153 10.798 221 2HG LYS 28 3HG LYS 28 30.707 41.537 11.313 222 1HD LYS 28 2HD LYS 28 28.658 40.594 10.661 223 2HD LYS 28 3HD LYS 28 27.865 42.169 10.570 224 1HE LYS 28 2HE LYS 28 29.576 42.679 8.714 225 2HE LYS 28 3HE LYS 28 29.840 40.937 8.677 226 1HZ LYS 28 1HZ LYS 28 27.862 40.572 7.710 227 2HZ LYS 28 2HZ LYS 28 27.981 42.191 7.234 228 3HZ LYS 28 3HZ LYS 28 27.067 41.774 8.595 229 H SER 29 H SER 29 31.457 40.884 14.955 230 HA SER 29 HA SER 29 30.311 41.887 17.450 231 1HB SER 29 2HB SER 29 32.195 40.816 18.551 232 2HB SER 29 3HB SER 29 31.449 39.674 17.433 233 HG SER 29 HG SER 29 33.174 39.745 16.178 234 H ALA 30 H ALA 30 30.517 44.006 17.746 235 HA ALA 30 HA ALA 30 33.171 45.205 17.393 236 1HB ALA 30 1HB ALA 30 32.532 46.705 15.876 237 2HB ALA 30 2HB ALA 30 31.099 45.704 15.642 238 3HB ALA 30 3HB ALA 30 31.045 47.075 16.751 239 H HIS 31 H HIS 31 33.526 47.121 18.668 240 HA HIS 31 HA HIS 31 31.762 47.245 21.024 241 1HB HIS 31 2HB HIS 31 33.881 48.186 22.149 242 2HB HIS 31 3HB HIS 31 33.828 46.459 21.811 243 HD1 HIS 31 1HD HIS 31 35.758 45.539 20.547 244 HD2 HIS 31 2HD HIS 31 35.428 49.658 20.114 245 HE1 HIS 31 1HE HIS 31 37.793 46.243 19.249 246 HA PRO 32 HA PRO 32 30.947 51.494 20.302 247 1HB PRO 32 2HB PRO 32 30.867 52.484 22.828 248 2HB PRO 32 3HB PRO 32 29.603 51.443 22.163 249 1HG PRO 32 2HG PRO 32 31.890 50.734 23.959 250 2HG PRO 32 3HG PRO 32 30.199 50.207 24.041 251 1HD PRO 32 2HD PRO 32 32.158 48.656 22.999 252 2HD PRO 32 3HD PRO 32 30.485 48.609 22.405 253 H ALA 33 H ALA 33 31.796 53.661 20.471 254 HA ALA 33 HA ALA 33 34.328 54.139 21.731 255 1HB ALA 33 1HB ALA 33 34.503 54.491 18.790 256 2HB ALA 33 2HB ALA 33 35.767 54.133 19.967 257 3HB ALA 33 3HB ALA 33 34.671 52.858 19.436 258 H ARG 34 H ARG 34 35.234 56.343 20.667 259 HA ARG 34 HA ARG 34 33.383 58.185 19.626 260 1HB ARG 34 2HB ARG 34 32.217 58.078 21.705 261 2HB ARG 34 3HB ARG 34 33.712 58.191 22.624 262 1HG ARG 34 2HG ARG 34 34.002 60.475 22.025 263 2HG ARG 34 3HG ARG 34 32.686 60.393 20.853 264 1HD ARG 34 2HD ARG 34 32.222 59.815 23.758 265 2HD ARG 34 3HD ARG 34 32.226 61.469 23.146 266 HE ARG 34 HE ARG 34 30.514 59.929 21.552 267 1HH1 ARG 34 2HH1 ARG 34 30.727 61.179 24.794 268 2HH1 ARG 34 1HH1 ARG 34 29.010 61.274 25.009 269 1HH2 ARG 34 2HH2 ARG 34 28.253 60.050 21.823 270 2HH2 ARG 34 1HH2 ARG 34 27.604 60.631 23.319 271 H PHE 35 H PHE 35 34.316 60.189 19.197 272 HA PHE 35 HA PHE 35 36.900 60.860 20.301 273 1HB PHE 35 2HB PHE 35 38.112 60.859 18.214 274 2HB PHE 35 3HB PHE 35 37.431 59.254 18.466 275 HD1 PHE 35 1HD PHE 35 37.640 62.072 16.279 276 HD2 PHE 35 2HD PHE 35 35.299 58.652 17.244 277 HE1 PHE 35 1HE PHE 35 36.569 62.185 14.067 278 HE2 PHE 35 2HE PHE 35 34.225 58.759 15.033 279 HZ PHE 35 HZ PHE 35 34.861 60.527 13.441 280 H SER 36 H SER 36 37.453 63.014 20.016 281 HA SER 36 HA SER 36 35.250 64.740 19.278 282 1HB SER 36 2HB SER 36 36.144 65.861 21.012 283 2HB SER 36 3HB SER 36 37.650 64.949 20.917 284 HG SER 36 HG SER 36 38.475 66.703 20.130 285 HA PRO 37 HA PRO 37 36.596 65.989 15.294 286 1HB PRO 37 2HB PRO 37 36.057 68.650 15.302 287 2HB PRO 37 3HB PRO 37 34.794 67.414 15.238 288 1HG PRO 37 2HG PRO 37 35.793 68.981 17.585 289 2HG PRO 37 3HG PRO 37 34.125 68.578 17.136 290 1HD PRO 37 2HD PRO 37 35.488 67.223 19.043 291 2HD PRO 37 3HD PRO 37 34.272 66.449 18.007 292 H ASP 38 H ASP 38 37.646 68.313 17.789 293 HA ASP 38 HA ASP 38 40.364 68.166 16.746 294 1HB ASP 38 2HB ASP 38 38.980 70.127 15.703 295 2HB ASP 38 3HB ASP 38 39.229 70.892 17.270 296 H ASP 39 H ASP 39 41.899 69.398 18.198 297 HA ASP 39 HA ASP 39 41.274 68.714 20.942 298 1HB ASP 39 2HB ASP 39 43.755 69.521 19.468 299 2HB ASP 39 3HB ASP 39 43.714 69.631 21.225 300 H LYS 40 H LYS 40 41.382 71.523 18.956 301 HA LYS 40 HA LYS 40 41.690 73.414 21.098 302 1HB LYS 40 2HB LYS 40 42.099 73.597 18.450 303 2HB LYS 40 3HB LYS 40 40.469 74.255 18.525 304 1HG LYS 40 2HG LYS 40 42.032 76.058 18.639 305 2HG LYS 40 3HG LYS 40 41.260 75.886 20.218 306 1HD LYS 40 2HD LYS 40 43.176 75.176 21.228 307 2HD LYS 40 3HD LYS 40 43.789 74.401 19.766 308 1HE LYS 40 2HE LYS 40 45.202 76.246 20.142 309 2HE LYS 40 3HE LYS 40 44.120 76.740 18.841 310 1HZ LYS 40 1HZ LYS 40 44.506 78.400 20.681 311 2HZ LYS 40 2HZ LYS 40 43.580 77.393 21.677 312 3HZ LYS 40 3HZ LYS 40 42.889 78.083 20.296 313 H TYR 41 H TYR 41 39.201 71.429 20.209 314 HA TYR 41 HA TYR 41 36.903 72.952 20.222 315 1HB TYR 41 2HB TYR 41 35.721 70.985 20.788 316 2HB TYR 41 3HB TYR 41 37.142 70.429 19.910 317 HD1 TYR 41 1HD TYR 41 39.260 70.086 21.616 318 HD2 TYR 41 2HD TYR 41 35.139 69.698 22.600 319 HE1 TYR 41 1HE TYR 41 39.854 68.617 23.498 320 HE2 TYR 41 2HE TYR 41 35.721 68.230 24.485 321 HH TYR 41 HH TYR 41 38.934 67.852 25.596 322 H SER 42 H SER 42 39.001 72.116 22.877 323 HA SER 42 HA SER 42 37.378 72.534 25.068 324 1HB SER 42 2HB SER 42 39.755 71.768 25.145 325 2HB SER 42 3HB SER 42 40.261 73.428 24.831 326 HG SER 42 HG SER 42 38.523 72.884 26.969 327 H ARG 43 H ARG 43 36.363 74.229 25.926 328 HA ARG 43 HA ARG 43 36.544 76.795 24.608 329 1HB ARG 43 2HB ARG 43 34.853 75.946 26.967 330 2HB ARG 43 3HB ARG 43 34.670 77.432 26.044 331 1HG ARG 43 2HG ARG 43 34.390 75.783 24.029 332 2HG ARG 43 3HG ARG 43 33.962 74.640 25.304 333 1HD ARG 43 2HD ARG 43 31.941 75.640 24.544 334 2HD ARG 43 3HD ARG 43 32.300 76.324 26.129 335 HE ARG 43 HE ARG 43 33.364 77.948 24.062 336 1HH1 ARG 43 2HH1 ARG 43 30.381 77.093 25.640 337 2HH1 ARG 43 1HH1 ARG 43 29.609 78.605 25.288 338 1HH2 ARG 43 2HH2 ARG 43 32.359 79.942 23.592 339 2HH2 ARG 43 1HH2 ARG 43 30.736 80.223 24.122 340 H GLN 44 H GLN 44 38.047 75.293 27.226 341 HA GLN 44 HA GLN 44 38.337 77.333 29.095 342 1HB GLN 44 2HB GLN 44 40.152 76.108 29.981 343 2HB GLN 44 3HB GLN 44 39.071 74.906 29.290 344 1HG GLN 44 2HG GLN 44 40.538 75.018 27.214 345 2HG GLN 44 3HG GLN 44 41.691 75.891 28.221 346 1HE2 GLN 44 1HE2 GLN 44 42.855 73.851 27.382 347 2HE2 GLN 44 2HE2 GLN 44 42.843 72.500 28.458 348 H ARG 45 H ARG 45 39.739 76.967 25.960 349 HA ARG 45 HA ARG 45 42.057 78.472 26.158 350 1HB ARG 45 2HB ARG 45 41.507 77.261 24.136 351 2HB ARG 45 3HB ARG 45 40.094 78.273 23.871 352 1HG ARG 45 2HG ARG 45 42.668 79.691 24.073 353 2HG ARG 45 3HG ARG 45 42.458 78.655 22.660 354 1HD ARG 45 2HD ARG 45 40.787 79.938 21.795 355 2HD ARG 45 3HD ARG 45 40.211 80.449 23.382 356 HE ARG 45 HE ARG 45 42.746 81.570 22.904 357 1HH1 ARG 45 2HH1 ARG 45 39.443 81.820 21.833 358 2HH1 ARG 45 1HH1 ARG 45 39.576 83.490 21.390 359 1HH2 ARG 45 2HH2 ARG 45 42.933 83.768 22.326 360 2HH2 ARG 45 1HH2 ARG 45 41.562 84.597 21.671 361 H VAL 46 H VAL 46 38.742 79.490 26.211 362 HA VAL 46 HA VAL 46 38.881 82.130 25.427 363 HB VAL 46 HB VAL 46 37.255 80.977 27.697 364 1HG1 VAL 46 1HG1 VAL 46 37.369 83.387 27.893 365 2HG1 VAL 46 2HG1 VAL 46 36.939 83.572 26.191 366 3HG1 VAL 46 3HG1 VAL 46 35.767 82.909 27.331 367 1HG2 VAL 46 1HG2 VAL 46 35.930 80.066 26.161 368 2HG2 VAL 46 2HG2 VAL 46 35.810 81.592 25.284 369 3HG2 VAL 46 3HG2 VAL 46 37.141 80.483 24.947 370 H THR 47 H THR 47 39.771 80.706 28.532 371 HA THR 47 HA THR 47 40.125 82.964 30.071 372 HB THR 47 HB THR 47 40.395 80.600 30.861 373 HG1 THR 47 1HG THR 47 41.125 81.806 32.450 374 1HG2 THR 47 1HG2 THR 47 42.090 79.277 30.216 375 2HG2 THR 47 2HG2 THR 47 43.273 80.577 30.350 376 3HG2 THR 47 3HG2 THR 47 42.297 80.420 28.890 377 H LEU 48 H LEU 48 42.306 83.843 30.807 378 HA LEU 48 HA LEU 48 44.108 85.149 30.342 379 1HB LEU 48 2HB LEU 48 44.547 82.859 28.449 380 2HB LEU 48 3HB LEU 48 45.689 84.195 28.579 381 HG LEU 48 HG LEU 48 44.906 82.578 30.983 382 1HD1 LEU 48 1HD1 LEU 48 46.983 81.256 30.562 383 2HD1 LEU 48 2HD1 LEU 48 47.018 81.937 28.936 384 3HD1 LEU 48 3HD1 LEU 48 45.663 80.927 29.440 385 1HD2 LEU 48 1HD2 LEU 48 46.124 84.796 31.133 386 2HD2 LEU 48 2HD2 LEU 48 47.487 83.988 30.359 387 3HD2 LEU 48 3HD2 LEU 48 46.897 83.420 31.921 388 H LYS 49 H LYS 49 41.680 85.875 29.098 389 HA LYS 49 HA LYS 49 42.317 86.663 26.378 390 1HB LYS 49 2HB LYS 49 40.056 87.562 26.313 391 2HB LYS 49 3HB LYS 49 40.038 85.921 26.947 392 1HG LYS 49 2HG LYS 49 39.627 86.654 29.138 393 2HG LYS 49 3HG LYS 49 40.065 88.320 28.750 394 1HD LYS 49 2HD LYS 49 37.711 88.299 28.875 395 2HD LYS 49 3HD LYS 49 38.090 88.309 27.150 396 1HE LYS 49 2HE LYS 49 36.511 86.657 27.199 397 2HE LYS 49 3HE LYS 49 37.965 85.694 27.457 398 1HZ LYS 49 1HZ LYS 49 35.753 85.762 29.066 399 2HZ LYS 49 2HZ LYS 49 36.896 86.679 29.910 400 3HZ LYS 49 3HZ LYS 49 37.255 85.089 29.457 401 H LYS 50 H LYS 50 41.672 89.024 25.815 402 HA LYS 50 HA LYS 50 42.715 90.863 27.860 403 1HB LYS 50 2HB LYS 50 43.833 92.093 25.915 404 2HB LYS 50 3HB LYS 50 44.585 90.599 26.457 405 1HG LYS 50 2HG LYS 50 42.610 90.441 24.246 406 2HG LYS 50 3HG LYS 50 44.203 91.121 23.901 407 1HD LYS 50 2HD LYS 50 45.027 88.977 25.192 408 2HD LYS 50 3HD LYS 50 43.446 88.354 24.711 409 1HE LYS 50 2HE LYS 50 44.739 87.705 22.925 410 2HE LYS 50 3HE LYS 50 44.141 89.262 22.358 411 1HZ LYS 50 1HZ LYS 50 46.618 89.354 23.858 412 2HZ LYS 50 2HZ LYS 50 46.177 90.171 22.445 413 3HZ LYS 50 3HZ LYS 50 46.715 88.569 22.362 414 H ARG 51 H ARG 51 40.995 92.076 28.347 415 HA ARG 51 HA ARG 51 39.766 93.648 26.240 416 1HB ARG 51 2HB ARG 51 38.472 91.403 26.681 417 2HB ARG 51 3HB ARG 51 37.884 92.255 28.103 418 1HG ARG 51 2HG ARG 51 37.129 94.091 26.567 419 2HG ARG 51 3HG ARG 51 37.516 93.019 25.220 420 1HD ARG 51 2HD ARG 51 35.272 92.593 25.527 421 2HD ARG 51 3HD ARG 51 36.014 91.321 26.496 422 HE ARG 51 HE ARG 51 35.443 93.700 27.992 423 1HH1 ARG 51 2HH1 ARG 51 34.133 90.709 26.787 424 2HH1 ARG 51 1HH1 ARG 51 32.903 90.605 28.002 425 1HH2 ARG 51 2HH2 ARG 51 33.827 93.576 29.598 426 2HH2 ARG 51 1HH2 ARG 51 32.729 92.238 29.601 427 H PHE 52 H PHE 52 38.933 95.588 26.954 428 HA PHE 52 HA PHE 52 39.185 96.125 29.840 429 1HB PHE 52 2HB PHE 52 39.799 98.109 27.645 430 2HB PHE 52 3HB PHE 52 40.077 98.307 29.372 431 HD1 PHE 52 1HD PHE 52 41.223 96.635 26.314 432 HD2 PHE 52 2HD PHE 52 41.986 97.343 30.442 433 HE1 PHE 52 1HE PHE 52 43.497 95.735 26.045 434 HE2 PHE 52 2HE PHE 52 44.262 96.446 30.178 435 HZ PHE 52 HZ PHE 52 45.020 95.641 27.978 436 H GLY 53 H GLY 53 37.171 96.339 30.586 437 1HA GLY 53 2HA GLY 53 35.503 98.456 29.604 438 2HA GLY 53 3HA GLY 53 34.860 96.867 29.218 439 H LEU 54 H LEU 54 36.679 97.570 32.131 440 HA LEU 54 HA LEU 54 34.540 96.567 33.762 441 1HB LEU 54 2HB LEU 54 37.085 96.332 34.111 442 2HB LEU 54 3HB LEU 54 36.988 97.950 34.801 443 HG LEU 54 HG LEU 54 35.183 95.837 35.874 444 1HD1 LEU 54 1HD1 LEU 54 37.349 95.678 37.528 445 2HD1 LEU 54 2HD1 LEU 54 38.102 95.735 35.936 446 3HD1 LEU 54 3HD1 LEU 54 36.912 94.487 36.303 447 1HD2 LEU 54 1HD2 LEU 54 34.835 97.365 37.446 448 2HD2 LEU 54 2HD2 LEU 54 35.807 98.489 36.497 449 3HD2 LEU 54 3HD2 LEU 54 36.564 97.515 37.759 450 H VAL 55 H VAL 55 35.702 99.684 32.789 451 HA VAL 55 HA VAL 55 34.929 101.797 33.141 452 HB VAL 55 HB VAL 55 32.480 100.475 34.313 453 1HG1 VAL 55 1HG1 VAL 55 33.164 103.129 34.270 454 2HG1 VAL 55 2HG1 VAL 55 32.181 102.960 32.813 455 3HG1 VAL 55 3HG1 VAL 55 31.522 102.495 34.382 456 1HG2 VAL 55 1HG2 VAL 55 32.939 99.572 32.101 457 2HG2 VAL 55 2HG2 VAL 55 31.527 100.628 32.055 458 3HG2 VAL 55 3HG2 VAL 55 33.079 101.204 31.446 459 HA PRO 56 HA PRO 56 36.206 101.444 37.606 460 1HB PRO 56 2HB PRO 56 38.428 102.982 37.343 461 2HB PRO 56 3HB PRO 56 38.426 101.239 37.051 462 1HG PRO 56 2HG PRO 56 38.278 103.489 35.081 463 2HG PRO 56 3HG PRO 56 39.225 101.992 35.001 464 1HD PRO 56 2HD PRO 56 36.894 102.315 33.660 465 2HD PRO 56 3HD PRO 56 37.424 100.741 34.290 466 H GLY 57 H GLY 57 34.565 102.716 38.408 467 1HA GLY 57 2HA GLY 57 35.028 105.626 38.247 468 2HA GLY 57 3HA GLY 57 33.414 104.957 38.060 469 H GLN 58 H GLN 58 32.452 105.855 39.824 470 HA GLN 58 HA GLN 58 33.696 105.825 42.412 471 1HB GLN 58 2HB GLN 58 31.333 106.999 41.195 472 2HB GLN 58 3HB GLN 58 30.985 106.342 42.789 473 1HG GLN 58 2HG GLN 58 33.127 108.349 42.120 474 2HG GLN 58 3HG GLN 58 31.596 108.680 42.929 475 1HE2 GLN 58 1HE2 GLN 58 34.822 107.641 43.281 476 2HE2 GLN 58 2HE2 GLN 58 34.786 107.341 44.982 Start of MODEL 9 1 1H HIS 2 H HIS 2 9.133 19.699 25.103 2 HA HIS 2 HA HIS 2 10.771 21.330 23.273 3 1HB HIS 2 2HB HIS 2 11.995 22.048 25.398 4 2HB HIS 2 3HB HIS 2 10.389 22.723 25.142 5 HD1 HIS 2 1HD HIS 2 11.768 19.634 26.905 6 HD2 HIS 2 2HD HIS 2 8.966 22.657 27.425 7 HE1 HIS 2 1HE HIS 2 10.725 19.205 29.154 8 H LEU 3 H LEU 3 10.364 18.340 24.639 9 HA LEU 3 HA LEU 3 13.030 17.605 25.254 10 1HB LEU 3 2HB LEU 3 10.687 15.903 24.420 11 2HB LEU 3 3HB LEU 3 12.198 15.290 25.087 12 HG LEU 3 HG LEU 3 10.758 17.270 26.740 13 1HD1 LEU 3 1HD1 LEU 3 9.205 15.571 27.601 14 2HD1 LEU 3 2HD1 LEU 3 9.708 14.476 26.313 15 3HD1 LEU 3 3HD1 LEU 3 8.880 15.982 25.917 16 1HD2 LEU 3 1HD2 LEU 3 12.765 15.270 27.019 17 2HD2 LEU 3 2HD2 LEU 3 11.415 14.868 28.082 18 3HD2 LEU 3 3HD2 LEU 3 12.198 16.443 28.208 19 H MET 4 H MET 4 14.243 15.902 24.035 20 HA MET 4 HA MET 4 14.262 16.599 21.186 21 1HB MET 4 2HB MET 4 16.399 15.209 22.808 22 2HB MET 4 3HB MET 4 16.553 15.792 21.157 23 1HG MET 4 2HG MET 4 15.906 17.647 23.417 24 2HG MET 4 3HG MET 4 17.566 17.195 23.035 25 1HE MET 4 1HE MET 4 15.988 20.768 22.048 26 2HE MET 4 2HE MET 4 14.610 19.857 21.429 27 3HE MET 4 3HE MET 4 15.236 19.520 23.044 28 H TYR 5 H TYR 5 12.429 14.646 22.477 29 HA TYR 5 HA TYR 5 12.652 12.588 20.509 30 1HB TYR 5 2HB TYR 5 13.038 10.697 21.902 31 2HB TYR 5 3HB TYR 5 14.295 11.864 22.296 32 HD1 TYR 5 1HD TYR 5 11.670 9.817 23.582 33 HD2 TYR 5 2HD TYR 5 13.931 13.336 24.365 34 HE1 TYR 5 1HE TYR 5 11.033 9.692 25.954 35 HE2 TYR 5 2HE TYR 5 13.301 13.219 26.740 36 HH TYR 5 HH TYR 5 12.426 11.845 28.347 37 H THR 6 H THR 6 10.689 11.777 20.057 38 HA THR 6 HA THR 6 8.431 12.755 21.583 39 HB THR 6 HB THR 6 7.078 11.619 19.785 40 HG1 THR 6 1HG THR 6 8.184 10.182 18.687 41 1HG2 THR 6 1HG2 THR 6 8.382 13.189 17.955 42 2HG2 THR 6 2HG2 THR 6 8.908 13.884 19.489 43 3HG2 THR 6 3HG2 THR 6 7.188 13.762 19.120 44 H LEU 7 H LEU 7 6.636 11.311 22.170 45 HA LEU 7 HA LEU 7 7.661 8.751 23.195 46 1HB LEU 7 2HB LEU 7 5.342 10.424 24.147 47 2HB LEU 7 3HB LEU 7 5.847 8.888 24.847 48 HG LEU 7 HG LEU 7 7.307 11.520 24.923 49 1HD1 LEU 7 1HD1 LEU 7 5.735 11.487 26.639 50 2HD1 LEU 7 2HD1 LEU 7 7.210 10.913 27.415 51 3HD1 LEU 7 3HD1 LEU 7 5.958 9.764 26.942 52 1HD2 LEU 7 1HD2 LEU 7 8.338 8.792 25.081 53 2HD2 LEU 7 2HD2 LEU 7 8.748 9.789 26.477 54 3HD2 LEU 7 3HD2 LEU 7 9.192 10.319 24.854 55 H GLY 8 H GLY 8 6.019 6.991 23.386 56 1HA GLY 8 2HA GLY 8 4.444 6.895 20.907 57 2HA GLY 8 3HA GLY 8 5.002 5.502 21.820 58 HA PRO 9 HA PRO 9 0.505 6.214 22.761 59 1HB PRO 9 2HB PRO 9 -0.241 3.637 22.348 60 2HB PRO 9 3HB PRO 9 -0.170 4.836 21.051 61 1HG PRO 9 2HG PRO 9 1.820 2.726 21.791 62 2HG PRO 9 3HG PRO 9 1.253 3.216 20.183 63 1HD PRO 9 2HD PRO 9 3.618 4.045 21.212 64 2HD PRO 9 3HD PRO 9 2.649 5.049 20.113 65 H ASP 10 H ASP 10 2.969 4.006 23.819 66 HA ASP 10 HA ASP 10 1.480 3.489 26.304 67 1HB ASP 10 2HB ASP 10 2.489 1.603 24.767 68 2HB ASP 10 3HB ASP 10 3.989 2.022 25.591 69 H GLY 11 H GLY 11 4.198 5.101 24.963 70 1HA GLY 11 2HA GLY 11 5.051 6.920 26.432 71 2HA GLY 11 3HA GLY 11 5.175 5.698 27.689 72 H LYS 12 H LYS 12 5.982 4.606 24.565 73 HA LYS 12 HA LYS 12 8.716 4.192 25.343 74 1HB LYS 12 2HB LYS 12 8.916 3.162 23.068 75 2HB LYS 12 3HB LYS 12 7.656 2.459 24.074 76 1HG LYS 12 2HG LYS 12 6.037 3.046 22.656 77 2HG LYS 12 3HG LYS 12 6.718 4.654 22.395 78 1HD LYS 12 2HD LYS 12 6.754 3.450 20.314 79 2HD LYS 12 3HD LYS 12 8.413 3.629 20.892 80 1HE LYS 12 2HE LYS 12 7.971 1.374 20.022 81 2HE LYS 12 3HE LYS 12 8.393 1.355 21.734 82 1HZ LYS 12 1HZ LYS 12 6.519 -0.106 21.222 83 2HZ LYS 12 2HZ LYS 12 5.628 1.217 20.660 84 3HZ LYS 12 3HZ LYS 12 6.070 1.127 22.290 85 H ARG 13 H ARG 13 10.440 5.400 24.867 86 HA ARG 13 HA ARG 13 10.113 7.945 23.625 87 1HB ARG 13 2HB ARG 13 12.607 8.090 23.902 88 2HB ARG 13 3HB ARG 13 11.717 7.761 25.384 89 1HG ARG 13 2HG ARG 13 12.313 5.249 24.381 90 2HG ARG 13 3HG ARG 13 13.765 6.202 24.068 91 1HD ARG 13 2HD ARG 13 13.962 5.187 26.234 92 2HD ARG 13 3HD ARG 13 13.738 6.923 26.442 93 HE ARG 13 HE ARG 13 11.233 5.676 26.561 94 1HH1 ARG 13 2HH1 ARG 13 14.190 5.889 28.384 95 2HH1 ARG 13 1HH1 ARG 13 13.421 5.617 29.912 96 1HH2 ARG 13 2HH2 ARG 13 10.207 5.317 28.567 97 2HH2 ARG 13 1HH2 ARG 13 11.155 5.291 30.014 98 H ILE 14 H ILE 14 11.025 8.714 21.696 99 HA ILE 14 HA ILE 14 12.203 6.802 19.847 100 HB ILE 14 HB ILE 14 9.660 8.288 19.177 101 1HG1 ILE 14 2HG1 ILE 14 10.222 5.322 19.405 102 2HG1 ILE 14 3HG1 ILE 14 9.303 6.280 20.561 103 1HG2 ILE 14 1HG2 ILE 14 10.253 8.137 17.046 104 2HG2 ILE 14 2HG2 ILE 14 11.778 7.383 17.509 105 3HG2 ILE 14 3HG2 ILE 14 10.358 6.384 17.203 106 1HD1 ILE 14 1HD1 ILE 14 7.610 5.360 19.358 107 2HD1 ILE 14 2HD1 ILE 14 7.864 6.838 18.431 108 3HD1 ILE 14 3HD1 ILE 14 8.543 5.314 17.863 109 H TYR 15 H TYR 15 14.045 7.908 19.515 110 HA TYR 15 HA TYR 15 14.447 10.635 19.554 111 1HB TYR 15 2HB TYR 15 15.877 8.437 18.073 112 2HB TYR 15 3HB TYR 15 16.418 10.109 17.990 113 HD1 TYR 15 1HD TYR 15 16.143 7.137 20.093 114 HD2 TYR 15 2HD TYR 15 17.356 11.213 19.960 115 HE1 TYR 15 1HE TYR 15 17.396 6.827 22.187 116 HE2 TYR 15 2HE TYR 15 18.613 10.914 22.052 117 HH TYR 15 HH TYR 15 18.243 8.194 24.045 118 H THR 16 H THR 16 13.159 12.010 18.478 119 HA THR 16 HA THR 16 13.120 11.807 15.551 120 HB THR 16 HB THR 16 10.754 12.587 15.533 121 HG1 THR 16 1HG THR 16 11.169 12.427 18.287 122 1HG2 THR 16 1HG2 THR 16 10.383 10.128 17.017 123 2HG2 THR 16 2HG2 THR 16 11.741 10.011 15.899 124 3HG2 THR 16 3HG2 THR 16 10.141 10.451 15.301 125 H LEU 17 H LEU 17 14.517 13.467 17.654 126 HA LEU 17 HA LEU 17 13.583 16.057 17.806 127 1HB LEU 17 2HB LEU 17 15.885 16.744 18.135 128 2HB LEU 17 3HB LEU 17 15.542 15.254 19.011 129 HG LEU 17 HG LEU 17 16.581 14.204 16.779 130 1HD1 LEU 17 1HD1 LEU 17 18.679 16.054 16.776 131 2HD1 LEU 17 2HD1 LEU 17 17.202 17.005 16.621 132 3HD1 LEU 17 3HD1 LEU 17 17.543 15.713 15.469 133 1HD2 LEU 17 1HD2 LEU 17 18.839 14.419 18.068 134 2HD2 LEU 17 2HD2 LEU 17 17.501 13.508 18.772 135 3HD2 LEU 17 3HD2 LEU 17 17.833 15.153 19.317 136 H LYS 18 H LYS 18 15.356 14.501 15.182 137 HA LYS 18 HA LYS 18 15.867 16.757 13.615 138 1HB LYS 18 2HB LYS 18 16.563 14.212 13.374 139 2HB LYS 18 3HB LYS 18 15.174 14.169 12.297 140 1HG LYS 18 2HG LYS 18 16.203 16.104 11.065 141 2HG LYS 18 3HG LYS 18 17.654 15.848 12.038 142 1HD LYS 18 2HD LYS 18 18.118 14.620 10.132 143 2HD LYS 18 3HD LYS 18 17.458 13.391 11.213 144 1HE LYS 18 2HE LYS 18 15.423 13.318 10.080 145 2HE LYS 18 3HE LYS 18 15.680 14.889 9.322 146 1HZ LYS 18 1HZ LYS 18 17.023 14.005 7.725 147 2HZ LYS 18 2HZ LYS 18 15.997 12.685 7.983 148 3HZ LYS 18 3HZ LYS 18 17.534 12.710 8.687 149 H LYS 19 H LYS 19 14.675 17.961 12.252 150 HA LYS 19 HA LYS 19 11.880 17.971 12.407 151 1HB LYS 19 2HB LYS 19 13.680 19.184 10.301 152 2HB LYS 19 3HB LYS 19 11.979 19.572 10.517 153 1HG LYS 19 2HG LYS 19 12.405 20.530 12.669 154 2HG LYS 19 3HG LYS 19 14.082 19.982 12.631 155 1HD LYS 19 2HD LYS 19 14.310 22.187 12.003 156 2HD LYS 19 3HD LYS 19 14.189 21.391 10.433 157 1HE LYS 19 2HE LYS 19 11.704 21.861 10.540 158 2HE LYS 19 3HE LYS 19 12.051 22.897 11.924 159 1HZ LYS 19 1HZ LYS 19 13.440 24.268 10.559 160 2HZ LYS 19 2HZ LYS 19 11.938 24.108 9.798 161 3HZ LYS 19 3HZ LYS 19 13.269 23.227 9.236 162 H VAL 20 H VAL 20 10.342 16.874 11.371 163 HA VAL 20 HA VAL 20 11.124 15.277 9.017 164 HB VAL 20 HB VAL 20 10.562 13.918 11.020 165 1HG1 VAL 20 1HG1 VAL 20 8.387 13.864 11.943 166 2HG1 VAL 20 2HG1 VAL 20 8.832 15.569 11.849 167 3HG1 VAL 20 3HG1 VAL 20 7.735 14.877 10.655 168 1HG2 VAL 20 1HG2 VAL 20 8.628 13.669 8.718 169 2HG2 VAL 20 2HG2 VAL 20 10.262 13.010 8.774 170 3HG2 VAL 20 3HG2 VAL 20 9.026 12.396 9.871 171 H THR 21 H THR 21 9.757 15.211 7.258 172 HA THR 21 HA THR 21 7.422 17.005 7.338 173 HB THR 21 HB THR 21 9.208 18.164 6.160 174 HG1 THR 21 1HG THR 21 7.939 18.726 4.495 175 1HG2 THR 21 1HG2 THR 21 10.337 15.961 5.471 176 2HG2 THR 21 2HG2 THR 21 10.379 17.297 4.322 177 3HG2 THR 21 3HG2 THR 21 9.231 15.978 4.098 178 H GLU 22 H GLU 22 5.844 16.589 5.594 179 HA GLU 22 HA GLU 22 5.637 13.703 5.098 180 1HB GLU 22 2HB GLU 22 3.437 15.748 4.822 181 2HB GLU 22 3HB GLU 22 3.276 14.000 4.922 182 1HG GLU 22 2HG GLU 22 2.688 14.587 7.040 183 2HG GLU 22 3HG GLU 22 4.420 14.343 7.255 184 H SER 23 H SER 23 7.212 15.685 3.504 185 HA SER 23 HA SER 23 7.644 16.216 1.330 186 1HB SER 23 2HB SER 23 7.457 13.606 1.374 187 2HB SER 23 3HB SER 23 5.969 13.879 0.469 188 HG SER 23 HG SER 23 8.620 14.322 -0.277 189 H GLY 24 H GLY 24 5.206 17.304 2.557 190 1HA GLY 24 2HA GLY 24 3.413 18.597 1.943 191 2HA GLY 24 3HA GLY 24 4.142 18.647 0.345 192 H GLU 25 H GLU 25 2.934 15.816 2.089 193 HA GLU 25 HA GLU 25 1.228 15.208 -0.199 194 1HB GLU 25 2HB GLU 25 2.714 13.446 0.660 195 2HB GLU 25 3HB GLU 25 1.920 13.539 2.226 196 1HG GLU 25 2HG GLU 25 0.942 11.693 1.230 197 2HG GLU 25 3HG GLU 25 -0.230 12.979 0.948 198 H ILE 26 H ILE 26 -0.972 15.024 -0.105 199 HA ILE 26 HA ILE 26 -2.421 16.627 1.619 200 HB ILE 26 HB ILE 26 -3.240 15.726 -0.564 201 1HG1 ILE 26 2HG1 ILE 26 -5.599 15.512 0.163 202 2HG1 ILE 26 3HG1 ILE 26 -5.052 15.334 1.827 203 1HG2 ILE 26 1HG2 ILE 26 -3.838 13.562 -0.897 204 2HG2 ILE 26 2HG2 ILE 26 -2.595 13.303 0.327 205 3HG2 ILE 26 3HG2 ILE 26 -4.297 13.313 0.788 206 1HD1 ILE 26 1HD1 ILE 26 -4.450 17.546 2.004 207 2HD1 ILE 26 2HD1 ILE 26 -4.271 17.746 0.260 208 3HD1 ILE 26 3HD1 ILE 26 -5.879 17.634 0.975 209 H THR 27 H THR 27 -3.582 16.315 3.479 210 HA THR 27 HA THR 27 -2.759 14.071 5.123 211 HB THR 27 HB THR 27 -4.312 15.337 6.819 212 HG1 THR 27 1HG THR 27 -5.261 16.807 5.433 213 1HG2 THR 27 1HG2 THR 27 -2.451 16.721 7.489 214 2HG2 THR 27 2HG2 THR 27 -1.742 16.613 5.877 215 3HG2 THR 27 3HG2 THR 27 -1.832 15.179 6.900 216 H LYS 28 H LYS 28 -4.005 12.398 5.756 217 HA LYS 28 HA LYS 28 -6.730 12.272 4.656 218 1HB LYS 28 2HB LYS 28 -6.502 9.830 4.809 219 2HB LYS 28 3HB LYS 28 -5.233 10.539 3.819 220 1HG LYS 28 2HG LYS 28 -3.592 10.141 5.407 221 2HG LYS 28 3HG LYS 28 -4.762 9.983 6.720 222 1HD LYS 28 2HD LYS 28 -4.229 7.781 6.382 223 2HD LYS 28 3HD LYS 28 -5.598 7.942 5.279 224 1HE LYS 28 2HE LYS 28 -2.699 8.214 4.492 225 2HE LYS 28 3HE LYS 28 -3.670 6.760 4.276 226 1HZ LYS 28 1HZ LYS 28 -3.886 9.349 2.891 227 2HZ LYS 28 2HZ LYS 28 -5.234 8.335 2.998 228 3HZ LYS 28 3HZ LYS 28 -3.825 7.791 2.235 229 H SER 29 H SER 29 -4.858 12.158 7.567 230 HA SER 29 HA SER 29 -7.195 11.329 9.132 231 1HB SER 29 2HB SER 29 -5.744 10.708 10.843 232 2HB SER 29 3HB SER 29 -4.778 10.362 9.409 233 HG SER 29 HG SER 29 -3.403 11.814 10.032 234 H ALA 30 H ALA 30 -6.888 13.979 7.852 235 HA ALA 30 HA ALA 30 -6.491 15.803 10.078 236 1HB ALA 30 1HB ALA 30 -5.786 17.068 8.387 237 2HB ALA 30 2HB ALA 30 -6.524 16.004 7.189 238 3HB ALA 30 3HB ALA 30 -7.482 17.276 7.949 239 H HIS 31 H HIS 31 -9.108 15.443 7.676 240 HA HIS 31 HA HIS 31 -11.057 16.846 9.037 241 1HB HIS 31 2HB HIS 31 -12.686 15.334 7.758 242 2HB HIS 31 3HB HIS 31 -11.534 16.264 6.804 243 HD1 HIS 31 1HD HIS 31 -10.173 14.974 5.174 244 HD2 HIS 31 2HD HIS 31 -11.836 12.535 8.098 245 HE1 HIS 31 1HE HIS 31 -9.618 12.620 4.482 246 HA PRO 32 HA PRO 32 -12.348 14.440 12.471 247 1HB PRO 32 2HB PRO 32 -15.020 14.919 12.507 248 2HB PRO 32 3HB PRO 32 -13.820 16.133 12.965 249 1HG PRO 32 2HG PRO 32 -15.282 15.796 10.374 250 2HG PRO 32 3HG PRO 32 -14.937 17.282 11.279 251 1HD PRO 32 2HD PRO 32 -13.484 16.517 9.125 252 2HD PRO 32 3HD PRO 32 -12.777 17.413 10.485 253 H ALA 33 H ALA 33 -12.002 12.301 11.924 254 HA ALA 33 HA ALA 33 -14.085 10.913 10.399 255 1HB ALA 33 1HB ALA 33 -12.497 9.070 10.231 256 2HB ALA 33 2HB ALA 33 -11.778 10.578 9.665 257 3HB ALA 33 3HB ALA 33 -11.360 9.945 11.257 258 H ARG 34 H ARG 34 -15.605 9.807 11.429 259 HA ARG 34 HA ARG 34 -15.061 8.181 13.708 260 1HB ARG 34 2HB ARG 34 -15.162 10.192 14.972 261 2HB ARG 34 3HB ARG 34 -16.570 10.762 14.085 262 1HG ARG 34 2HG ARG 34 -17.209 10.036 16.297 263 2HG ARG 34 3HG ARG 34 -17.910 8.965 15.082 264 1HD ARG 34 2HD ARG 34 -17.072 7.614 16.866 265 2HD ARG 34 3HD ARG 34 -16.014 7.397 15.472 266 HE ARG 34 HE ARG 34 -15.037 9.442 17.178 267 1HH1 ARG 34 2HH1 ARG 34 -15.309 5.983 16.889 268 2HH1 ARG 34 1HH1 ARG 34 -13.908 5.661 17.857 269 1HH2 ARG 34 2HH2 ARG 34 -13.192 9.032 18.453 270 2HH2 ARG 34 1HH2 ARG 34 -12.705 7.397 18.746 271 H PHE 35 H PHE 35 -16.389 6.493 13.611 272 HA PHE 35 HA PHE 35 -18.342 6.191 11.647 273 1HB PHE 35 2HB PHE 35 -17.675 4.682 14.149 274 2HB PHE 35 3HB PHE 35 -19.108 4.248 13.225 275 HD1 PHE 35 1HD PHE 35 -18.911 3.323 10.982 276 HD2 PHE 35 2HD PHE 35 -15.470 4.250 13.309 277 HE1 PHE 35 1HE PHE 35 -17.526 1.968 9.466 278 HE2 PHE 35 2HE PHE 35 -14.078 2.897 11.796 279 HZ PHE 35 HZ PHE 35 -15.106 1.755 9.871 280 H SER 36 H SER 36 -18.843 6.563 15.160 281 HA SER 36 HA SER 36 -20.931 8.413 14.955 282 1HB SER 36 2HB SER 36 -22.650 7.119 14.301 283 2HB SER 36 3HB SER 36 -21.717 5.641 14.528 284 HG SER 36 HG SER 36 -23.176 5.420 16.070 285 HA PRO 37 HA PRO 37 -20.261 8.655 19.283 286 1HB PRO 37 2HB PRO 37 -22.684 9.463 20.205 287 2HB PRO 37 3HB PRO 37 -21.603 10.521 19.290 288 1HG PRO 37 2HG PRO 37 -23.984 8.972 18.346 289 2HG PRO 37 3HG PRO 37 -23.506 10.635 17.958 290 1HD PRO 37 2HD PRO 37 -23.051 8.557 16.281 291 2HD PRO 37 3HD PRO 37 -21.962 9.956 16.386 292 H ASP 38 H ASP 38 -23.331 7.035 18.488 293 HA ASP 38 HA ASP 38 -22.743 5.077 20.608 294 1HB ASP 38 2HB ASP 38 -25.278 6.545 20.008 295 2HB ASP 38 3HB ASP 38 -25.378 4.898 20.628 296 H ASP 39 H ASP 39 -23.061 2.950 20.123 297 HA ASP 39 HA ASP 39 -23.348 2.302 17.317 298 1HB ASP 39 2HB ASP 39 -22.913 -0.058 18.164 299 2HB ASP 39 3HB ASP 39 -21.621 1.110 18.425 300 H LYS 40 H LYS 40 -25.291 2.288 20.158 301 HA LYS 40 HA LYS 40 -27.216 0.382 19.158 302 1HB LYS 40 2HB LYS 40 -26.971 2.082 21.607 303 2HB LYS 40 3HB LYS 40 -28.544 1.416 21.184 304 1HG LYS 40 2HG LYS 40 -27.151 -0.820 20.996 305 2HG LYS 40 3HG LYS 40 -26.083 0.041 22.108 306 1HD LYS 40 2HD LYS 40 -28.350 0.541 23.358 307 2HD LYS 40 3HD LYS 40 -28.880 -0.909 22.502 308 1HE LYS 40 2HE LYS 40 -28.071 -1.823 24.446 309 2HE LYS 40 3HE LYS 40 -26.638 -1.900 23.422 310 1HZ LYS 40 1HZ LYS 40 -27.211 -0.114 25.683 311 2HZ LYS 40 2HZ LYS 40 -26.179 0.424 24.456 312 3HZ LYS 40 3HZ LYS 40 -25.799 -0.976 25.326 313 H TYR 41 H TYR 41 -26.498 3.427 18.264 314 HA TYR 41 HA TYR 41 -28.830 4.898 18.248 315 1HB TYR 41 2HB TYR 41 -27.900 6.167 16.474 316 2HB TYR 41 3HB TYR 41 -26.529 5.592 17.416 317 HD1 TYR 41 1HD TYR 41 -25.557 3.255 16.568 318 HD2 TYR 41 2HD TYR 41 -27.772 5.992 14.180 319 HE1 TYR 41 1HE TYR 41 -24.571 2.273 14.540 320 HE2 TYR 41 2HE TYR 41 -26.793 5.017 12.144 321 HH TYR 41 HH TYR 41 -25.706 2.442 11.676 322 H SER 42 H SER 42 -27.938 2.159 16.270 323 HA SER 42 HA SER 42 -30.028 2.476 14.350 324 1HB SER 42 2HB SER 42 -28.191 1.204 13.602 325 2HB SER 42 3HB SER 42 -28.167 0.217 15.062 326 HG SER 42 HG SER 42 -29.249 -1.113 13.828 327 H ARG 43 H ARG 43 -32.092 2.402 14.958 328 HA ARG 43 HA ARG 43 -33.000 0.899 17.215 329 1HB ARG 43 2HB ARG 43 -35.204 1.717 16.647 330 2HB ARG 43 3HB ARG 43 -34.043 3.029 16.497 331 1HG ARG 43 2HG ARG 43 -33.976 2.367 13.998 332 2HG ARG 43 3HG ARG 43 -35.493 1.537 14.353 333 1HD ARG 43 2HD ARG 43 -35.006 4.428 15.030 334 2HD ARG 43 3HD ARG 43 -35.691 3.906 13.492 335 HE ARG 43 HE ARG 43 -37.262 2.708 15.371 336 1HH1 ARG 43 2HH1 ARG 43 -36.294 5.986 14.707 337 2HH1 ARG 43 1HH1 ARG 43 -37.752 6.681 15.331 338 1HH2 ARG 43 2HH2 ARG 43 -39.187 3.612 16.195 339 2HH2 ARG 43 1HH2 ARG 43 -39.397 5.330 16.178 340 H GLN 44 H GLN 44 -32.745 0.325 13.803 341 HA GLN 44 HA GLN 44 -34.640 -1.748 13.558 342 1HB GLN 44 2HB GLN 44 -33.287 -0.412 11.748 343 2HB GLN 44 3HB GLN 44 -32.128 -1.723 11.930 344 1HG GLN 44 2HG GLN 44 -33.755 -3.342 11.264 345 2HG GLN 44 3HG GLN 44 -35.036 -2.131 11.279 346 1HE2 GLN 44 1HE2 GLN 44 -31.806 -2.528 9.853 347 2HE2 GLN 44 2HE2 GLN 44 -32.255 -1.999 8.271 348 H ARG 45 H ARG 45 -31.428 -1.652 14.851 349 HA ARG 45 HA ARG 45 -30.611 -4.287 14.619 350 1HB ARG 45 2HB ARG 45 -29.220 -2.460 15.534 351 2HB ARG 45 3HB ARG 45 -30.199 -2.462 16.995 352 1HG ARG 45 2HG ARG 45 -29.502 -4.788 17.423 353 2HG ARG 45 3HG ARG 45 -28.463 -4.712 15.999 354 1HD ARG 45 2HD ARG 45 -28.257 -2.979 18.459 355 2HD ARG 45 3HD ARG 45 -27.181 -4.307 18.025 356 HE ARG 45 HE ARG 45 -27.144 -1.634 16.977 357 1HH1 ARG 45 2HH1 ARG 45 -26.320 -4.958 16.352 358 2HH1 ARG 45 1HH1 ARG 45 -25.071 -4.570 15.215 359 1HH2 ARG 45 2HH2 ARG 45 -25.502 -1.111 15.483 360 2HH2 ARG 45 1HH2 ARG 45 -24.606 -2.381 14.723 361 H VAL 46 H VAL 46 -33.019 -2.883 16.714 362 HA VAL 46 HA VAL 46 -33.231 -5.123 18.481 363 HB VAL 46 HB VAL 46 -35.309 -2.991 17.976 364 1HG1 VAL 46 1HG1 VAL 46 -36.295 -3.618 19.971 365 2HG1 VAL 46 2HG1 VAL 46 -35.795 -5.172 19.302 366 3HG1 VAL 46 3HG1 VAL 46 -34.833 -4.405 20.567 367 1HG2 VAL 46 1HG2 VAL 46 -34.247 -1.934 20.035 368 2HG2 VAL 46 2HG2 VAL 46 -32.859 -2.977 19.719 369 3HG2 VAL 46 3HG2 VAL 46 -33.361 -1.787 18.517 370 H THR 47 H THR 47 -35.097 -3.967 15.691 371 HA THR 47 HA THR 47 -37.079 -5.958 15.748 372 HB THR 47 HB THR 47 -36.983 -5.392 13.113 373 HG1 THR 47 1HG THR 47 -36.120 -2.943 14.187 374 1HG2 THR 47 1HG2 THR 47 -38.029 -3.462 15.184 375 2HG2 THR 47 2HG2 THR 47 -38.835 -4.960 14.720 376 3HG2 THR 47 3HG2 THR 47 -38.616 -3.672 13.536 377 H LEU 48 H LEU 48 -37.149 -8.010 15.038 378 HA LEU 48 HA LEU 48 -34.801 -9.454 14.545 379 1HB LEU 48 2HB LEU 48 -36.148 -11.328 14.298 380 2HB LEU 48 3HB LEU 48 -37.082 -10.277 15.360 381 HG LEU 48 HG LEU 48 -37.561 -10.572 12.396 382 1HD1 LEU 48 1HD1 LEU 48 -38.853 -12.342 12.773 383 2HD1 LEU 48 2HD1 LEU 48 -39.618 -11.582 14.169 384 3HD1 LEU 48 3HD1 LEU 48 -38.092 -12.445 14.361 385 1HD2 LEU 48 1HD2 LEU 48 -39.807 -9.573 13.182 386 2HD2 LEU 48 2HD2 LEU 48 -38.420 -8.499 12.995 387 3HD2 LEU 48 3HD2 LEU 48 -38.898 -9.050 14.601 388 H LYS 49 H LYS 49 -33.700 -9.963 12.747 389 HA LYS 49 HA LYS 49 -34.366 -8.611 10.293 390 1HB LYS 49 2HB LYS 49 -32.013 -9.134 11.369 391 2HB LYS 49 3HB LYS 49 -32.176 -10.638 10.471 392 1HG LYS 49 2HG LYS 49 -32.707 -9.059 8.468 393 2HG LYS 49 3HG LYS 49 -31.892 -7.848 9.460 394 1HD LYS 49 2HD LYS 49 -30.102 -8.669 8.295 395 2HD LYS 49 3HD LYS 49 -30.082 -9.760 9.683 396 1HE LYS 49 2HE LYS 49 -30.887 -11.535 8.468 397 2HE LYS 49 3HE LYS 49 -31.704 -10.502 7.297 398 1HZ LYS 49 1HZ LYS 49 -29.114 -9.881 6.908 399 2HZ LYS 49 2HZ LYS 49 -29.980 -11.008 5.992 400 3HZ LYS 49 3HZ LYS 49 -29.011 -11.528 7.278 401 H LYS 50 H LYS 50 -35.239 -9.446 8.486 402 HA LYS 50 HA LYS 50 -35.792 -12.341 8.454 403 1HB LYS 50 2HB LYS 50 -37.518 -10.016 7.636 404 2HB LYS 50 3HB LYS 50 -37.806 -11.635 7.010 405 1HG LYS 50 2HG LYS 50 -37.890 -12.376 9.450 406 2HG LYS 50 3HG LYS 50 -38.014 -10.658 9.837 407 1HD LYS 50 2HD LYS 50 -40.038 -10.452 8.574 408 2HD LYS 50 3HD LYS 50 -39.865 -12.087 7.934 409 1HE LYS 50 2HE LYS 50 -40.045 -11.609 10.885 410 2HE LYS 50 3HE LYS 50 -41.502 -11.665 9.894 411 1HZ LYS 50 1HZ LYS 50 -41.230 -13.837 10.615 412 2HZ LYS 50 2HZ LYS 50 -39.550 -13.814 10.422 413 3HZ LYS 50 3HZ LYS 50 -40.555 -13.874 9.063 414 H ARG 51 H ARG 51 -34.446 -13.227 7.021 415 HA ARG 51 HA ARG 51 -34.022 -11.833 4.460 416 1HB ARG 51 2HB ARG 51 -32.043 -12.355 6.063 417 2HB ARG 51 3HB ARG 51 -32.228 -14.008 5.490 418 1HG ARG 51 2HG ARG 51 -32.106 -12.889 3.132 419 2HG ARG 51 3HG ARG 51 -31.328 -11.580 4.022 420 1HD ARG 51 2HD ARG 51 -29.589 -12.993 3.260 421 2HD ARG 51 3HD ARG 51 -29.774 -13.317 4.983 422 HE ARG 51 HE ARG 51 -31.296 -15.091 3.316 423 1HH1 ARG 51 2HH1 ARG 51 -28.184 -14.494 4.758 424 2HH1 ARG 51 1HH1 ARG 51 -27.707 -16.160 4.731 425 1HH2 ARG 51 2HH2 ARG 51 -30.680 -17.287 3.277 426 2HH2 ARG 51 1HH2 ARG 51 -29.127 -17.747 3.887 427 H PHE 52 H PHE 52 -34.856 -14.864 6.003 428 HA PHE 52 HA PHE 52 -34.837 -16.516 3.729 429 1HB PHE 52 2HB PHE 52 -36.066 -16.636 6.434 430 2HB PHE 52 3HB PHE 52 -36.724 -17.710 5.204 431 HD1 PHE 52 1HD PHE 52 -33.721 -16.834 7.134 432 HD2 PHE 52 2HD PHE 52 -35.492 -19.588 4.413 433 HE1 PHE 52 1HE PHE 52 -31.875 -18.411 7.534 434 HE2 PHE 52 2HE PHE 52 -33.649 -21.169 4.810 435 HZ PHE 52 HZ PHE 52 -31.837 -20.582 6.372 436 H GLY 53 H GLY 53 -36.002 -16.307 1.941 437 1HA GLY 53 2HA GLY 53 -38.840 -15.590 2.184 438 2HA GLY 53 3HA GLY 53 -37.824 -14.654 1.096 439 H LEU 54 H LEU 54 -37.188 -18.032 1.476 440 HA LEU 54 HA LEU 54 -38.376 -18.521 -1.175 441 1HB LEU 54 2HB LEU 54 -36.617 -20.299 -1.394 442 2HB LEU 54 3HB LEU 54 -36.034 -18.636 -1.417 443 HG LEU 54 HG LEU 54 -35.874 -19.462 1.257 444 1HD1 LEU 54 1HD1 LEU 54 -35.945 -21.732 0.935 445 2HD1 LEU 54 2HD1 LEU 54 -34.217 -21.425 0.768 446 3HD1 LEU 54 3HD1 LEU 54 -35.217 -21.640 -0.669 447 1HD2 LEU 54 1HD2 LEU 54 -34.376 -18.051 -0.420 448 2HD2 LEU 54 2HD2 LEU 54 -33.482 -19.570 -0.495 449 3HD2 LEU 54 3HD2 LEU 54 -33.718 -18.761 1.055 450 H VAL 55 H VAL 55 -39.400 -20.501 -1.546 451 HA VAL 55 HA VAL 55 -39.830 -22.226 0.791 452 HB VAL 55 HB VAL 55 -42.262 -22.427 -0.006 453 1HG1 VAL 55 1HG1 VAL 55 -41.803 -19.706 1.094 454 2HG1 VAL 55 2HG1 VAL 55 -42.904 -20.976 1.633 455 3HG1 VAL 55 3HG1 VAL 55 -41.183 -21.083 2.003 456 1HG2 VAL 55 1HG2 VAL 55 -43.208 -20.680 -1.265 457 2HG2 VAL 55 2HG2 VAL 55 -41.760 -19.682 -1.124 458 3HG2 VAL 55 3HG2 VAL 55 -41.739 -21.127 -2.133 459 HA PRO 56 HA PRO 56 -38.838 -24.596 -3.097 460 1HB PRO 56 2HB PRO 56 -36.903 -26.124 -1.964 461 2HB PRO 56 3HB PRO 56 -36.580 -24.539 -2.675 462 1HG PRO 56 2HG PRO 56 -36.967 -25.283 0.199 463 2HG PRO 56 3HG PRO 56 -35.771 -24.190 -0.523 464 1HD PRO 56 2HD PRO 56 -38.015 -23.293 0.701 465 2HD PRO 56 3HD PRO 56 -37.270 -22.446 -0.670 466 H GLY 57 H GLY 57 -39.662 -25.369 0.184 467 1HA GLY 57 2HA GLY 57 -41.627 -27.162 -0.237 468 2HA GLY 57 3HA GLY 57 -40.187 -28.164 -0.365 469 H GLN 58 H GLN 58 -41.787 -25.836 1.789 470 HA GLN 58 HA GLN 58 -40.313 -26.785 4.080 471 1HB GLN 58 2HB GLN 58 -41.118 -24.397 3.721 472 2HB GLN 58 3HB GLN 58 -42.729 -24.983 4.111 473 1HG GLN 58 2HG GLN 58 -42.027 -24.199 6.142 474 2HG GLN 58 3HG GLN 58 -41.580 -25.901 6.255 475 1HE2 GLN 58 1HE2 GLN 58 -39.428 -26.480 6.227 476 2HE2 GLN 58 2HE2 GLN 58 -38.150 -25.334 6.419 Start of MODEL 10 1 1H HIS 2 H HIS 2 15.446 16.977 27.861 2 HA HIS 2 HA HIS 2 14.780 19.273 26.541 3 1HB HIS 2 2HB HIS 2 16.986 17.826 25.061 4 2HB HIS 2 3HB HIS 2 16.009 19.133 24.399 5 HD1 HIS 2 1HD HIS 2 17.094 21.340 24.536 6 HD2 HIS 2 2HD HIS 2 18.396 18.800 27.554 7 HE1 HIS 2 1HE HIS 2 18.831 22.642 25.807 8 H LEU 3 H LEU 3 13.061 18.910 25.232 9 HA LEU 3 HA LEU 3 12.130 16.192 24.994 10 1HB LEU 3 2HB LEU 3 10.770 18.531 23.728 11 2HB LEU 3 3HB LEU 3 10.065 17.078 24.431 12 HG LEU 3 HG LEU 3 11.250 19.407 25.940 13 1HD1 LEU 3 1HD1 LEU 3 9.043 19.812 24.906 14 2HD1 LEU 3 2HD1 LEU 3 8.992 19.824 26.669 15 3HD1 LEU 3 3HD1 LEU 3 8.407 18.417 25.780 16 1HD2 LEU 3 1HD2 LEU 3 10.037 16.830 26.932 17 2HD2 LEU 3 2HD2 LEU 3 10.410 18.226 27.942 18 3HD2 LEU 3 3HD2 LEU 3 11.709 17.356 27.126 19 H MET 4 H MET 4 14.289 16.037 23.578 20 HA MET 4 HA MET 4 13.699 16.633 20.778 21 1HB MET 4 2HB MET 4 16.176 15.819 22.266 22 2HB MET 4 3HB MET 4 16.088 15.635 20.519 23 1HG MET 4 2HG MET 4 15.324 18.150 20.631 24 2HG MET 4 3HG MET 4 16.184 18.102 22.169 25 1HE MET 4 1HE MET 4 17.570 19.707 21.808 26 2HE MET 4 2HE MET 4 19.231 19.211 21.486 27 3HE MET 4 3HE MET 4 18.336 20.133 20.278 28 H TYR 5 H TYR 5 12.170 14.615 22.154 29 HA TYR 5 HA TYR 5 12.451 12.493 20.250 30 1HB TYR 5 2HB TYR 5 12.774 10.680 21.888 31 2HB TYR 5 3HB TYR 5 14.151 11.778 21.850 32 HD1 TYR 5 1HD TYR 5 14.470 13.414 23.701 33 HD2 TYR 5 2HD TYR 5 11.486 10.386 23.866 34 HE1 TYR 5 1HE TYR 5 14.283 13.738 26.132 35 HE2 TYR 5 2HE TYR 5 11.290 10.703 26.297 36 HH TYR 5 HH TYR 5 11.804 12.783 27.929 37 H THR 6 H THR 6 10.460 11.895 19.738 38 HA THR 6 HA THR 6 8.223 12.686 21.366 39 HB THR 6 HB THR 6 6.874 11.532 19.555 40 HG1 THR 6 1HG THR 6 8.286 10.110 18.649 41 1HG2 THR 6 1HG2 THR 6 7.020 13.362 18.126 42 2HG2 THR 6 2HG2 THR 6 8.763 13.520 18.344 43 3HG2 THR 6 3HG2 THR 6 7.666 14.000 19.637 44 H LEU 7 H LEU 7 6.647 11.312 22.266 45 HA LEU 7 HA LEU 7 7.677 8.656 22.976 46 1HB LEU 7 2HB LEU 7 5.571 10.358 24.301 47 2HB LEU 7 3HB LEU 7 6.077 8.760 24.849 48 HG LEU 7 HG LEU 7 7.711 11.293 24.850 49 1HD1 LEU 7 1HD1 LEU 7 6.110 11.128 26.667 50 2HD1 LEU 7 2HD1 LEU 7 7.753 10.918 27.272 51 3HD1 LEU 7 3HD1 LEU 7 6.703 9.516 27.068 52 1HD2 LEU 7 1HD2 LEU 7 8.541 8.516 24.773 53 2HD2 LEU 7 2HD2 LEU 7 9.108 9.339 26.227 54 3HD2 LEU 7 3HD2 LEU 7 9.504 9.989 24.635 55 H GLY 8 H GLY 8 6.009 6.937 23.297 56 1HA GLY 8 2HA GLY 8 4.153 6.993 21.025 57 2HA GLY 8 3HA GLY 8 4.737 5.550 21.841 58 HA PRO 9 HA PRO 9 0.408 6.519 23.286 59 1HB PRO 9 2HB PRO 9 -0.594 4.049 22.772 60 2HB PRO 9 3HB PRO 9 -0.561 5.342 21.568 61 1HG PRO 9 2HG PRO 9 1.311 3.033 21.918 62 2HG PRO 9 3HG PRO 9 0.619 3.696 20.426 63 1HD PRO 9 2HD PRO 9 3.141 4.256 21.235 64 2HD PRO 9 3HD PRO 9 2.148 5.417 20.331 65 H ASP 10 H ASP 10 2.816 4.117 23.919 66 HA ASP 10 HA ASP 10 1.548 3.471 26.496 67 1HB ASP 10 2HB ASP 10 2.303 1.674 24.700 68 2HB ASP 10 3HB ASP 10 3.876 1.918 25.455 69 H GLY 11 H GLY 11 4.175 5.079 25.013 70 1HA GLY 11 2HA GLY 11 5.286 6.701 26.536 71 2HA GLY 11 3HA GLY 11 5.492 5.355 27.646 72 H LYS 12 H LYS 12 5.875 4.571 24.348 73 HA LYS 12 HA LYS 12 8.612 3.865 24.727 74 1HB LYS 12 2HB LYS 12 6.924 3.961 22.219 75 2HB LYS 12 3HB LYS 12 8.533 3.258 22.316 76 1HG LYS 12 2HG LYS 12 7.503 1.805 24.204 77 2HG LYS 12 3HG LYS 12 5.965 2.272 23.473 78 1HD LYS 12 2HD LYS 12 6.999 1.500 21.260 79 2HD LYS 12 3HD LYS 12 8.229 0.718 22.255 80 1HE LYS 12 2HE LYS 12 6.738 -1.001 22.053 81 2HE LYS 12 3HE LYS 12 6.115 -0.232 23.511 82 1HZ LYS 12 1HZ LYS 12 4.272 0.485 22.457 83 2HZ LYS 12 2HZ LYS 12 4.595 -0.819 21.429 84 3HZ LYS 12 3HZ LYS 12 5.060 0.745 20.982 85 H ARG 13 H ARG 13 10.278 5.206 24.657 86 HA ARG 13 HA ARG 13 10.065 7.866 23.655 87 1HB ARG 13 2HB ARG 13 12.623 6.424 24.336 88 2HB ARG 13 3HB ARG 13 12.318 8.155 24.373 89 1HG ARG 13 2HG ARG 13 10.665 7.726 26.210 90 2HG ARG 13 3HG ARG 13 11.251 6.063 26.249 91 1HD ARG 13 2HD ARG 13 13.150 8.369 26.468 92 2HD ARG 13 3HD ARG 13 12.269 7.790 27.881 93 HE ARG 13 HE ARG 13 13.519 5.624 26.577 94 1HH1 ARG 13 2HH1 ARG 13 14.256 8.410 28.531 95 2HH1 ARG 13 1HH1 ARG 13 15.684 7.713 29.219 96 1HH2 ARG 13 2HH2 ARG 13 15.400 4.696 27.476 97 2HH2 ARG 13 1HH2 ARG 13 16.335 5.600 28.617 98 H ILE 14 H ILE 14 11.017 8.796 21.852 99 HA ILE 14 HA ILE 14 12.313 7.019 19.919 100 HB ILE 14 HB ILE 14 10.010 8.831 19.186 101 1HG1 ILE 14 2HG1 ILE 14 10.111 5.810 19.128 102 2HG1 ILE 14 3HG1 ILE 14 9.391 6.735 20.442 103 1HG2 ILE 14 1HG2 ILE 14 11.772 8.615 17.467 104 2HG2 ILE 14 2HG2 ILE 14 11.544 6.867 17.490 105 3HG2 ILE 14 3HG2 ILE 14 10.232 7.920 16.962 106 1HD1 ILE 14 1HD1 ILE 14 7.507 7.015 19.313 107 2HD1 ILE 14 2HD1 ILE 14 8.365 7.559 17.872 108 3HD1 ILE 14 3HD1 ILE 14 8.127 5.836 18.158 109 H TYR 15 H TYR 15 14.227 7.947 19.610 110 HA TYR 15 HA TYR 15 14.636 10.771 19.909 111 1HB TYR 15 2HB TYR 15 16.597 8.795 18.747 112 2HB TYR 15 3HB TYR 15 16.946 10.319 19.555 113 HD1 TYR 15 1HD TYR 15 17.676 7.186 20.045 114 HD2 TYR 15 2HD TYR 15 15.238 10.103 21.956 115 HE1 TYR 15 1HE TYR 15 17.927 5.989 22.179 116 HE2 TYR 15 2HE TYR 15 15.483 8.915 24.095 117 HH TYR 15 HH TYR 15 16.161 6.060 24.546 118 H THR 16 H THR 16 12.871 11.036 18.146 119 HA THR 16 HA THR 16 13.954 10.860 15.442 120 HB THR 16 HB THR 16 11.627 10.146 15.803 121 HG1 THR 16 1HG THR 16 10.736 11.513 14.111 122 1HG2 THR 16 1HG2 THR 16 11.139 11.773 17.635 123 2HG2 THR 16 2HG2 THR 16 9.895 11.707 16.388 124 3HG2 THR 16 3HG2 THR 16 11.045 13.043 16.416 125 H LEU 17 H LEU 17 14.584 12.887 17.754 126 HA LEU 17 HA LEU 17 14.926 15.143 18.005 127 1HB LEU 17 2HB LEU 17 16.341 16.055 16.333 128 2HB LEU 17 3HB LEU 17 16.704 14.334 16.452 129 HG LEU 17 HG LEU 17 14.760 15.144 14.370 130 1HD1 LEU 17 1HD1 LEU 17 16.124 16.808 13.679 131 2HD1 LEU 17 2HD1 LEU 17 17.009 15.465 12.957 132 3HD1 LEU 17 3HD1 LEU 17 17.538 16.142 14.497 133 1HD2 LEU 17 1HD2 LEU 17 17.066 13.453 13.737 134 2HD2 LEU 17 2HD2 LEU 17 15.346 13.183 13.457 135 3HD2 LEU 17 3HD2 LEU 17 16.047 12.837 15.039 136 H LYS 18 H LYS 18 12.229 14.582 17.391 137 HA LYS 18 HA LYS 18 11.144 16.086 15.303 138 1HB LYS 18 2HB LYS 18 10.172 14.800 17.733 139 2HB LYS 18 3HB LYS 18 9.268 16.254 17.336 140 1HG LYS 18 2HG LYS 18 9.795 14.269 15.185 141 2HG LYS 18 3HG LYS 18 8.560 13.913 16.393 142 1HD LYS 18 2HD LYS 18 8.548 16.590 15.089 143 2HD LYS 18 3HD LYS 18 7.969 15.200 14.168 144 1HE LYS 18 2HE LYS 18 6.442 14.675 16.074 145 2HE LYS 18 3HE LYS 18 6.938 16.192 16.822 146 1HZ LYS 18 1HZ LYS 18 4.883 16.477 15.616 147 2HZ LYS 18 2HZ LYS 18 5.590 15.902 14.192 148 3HZ LYS 18 3HZ LYS 18 6.109 17.366 14.862 149 H LYS 19 H LYS 19 11.756 18.144 14.978 150 HA LYS 19 HA LYS 19 12.450 19.999 16.959 151 1HB LYS 19 2HB LYS 19 12.921 20.084 14.443 152 2HB LYS 19 3HB LYS 19 11.300 20.747 14.276 153 1HG LYS 19 2HG LYS 19 12.166 22.434 16.102 154 2HG LYS 19 3HG LYS 19 13.740 21.965 15.455 155 1HD LYS 19 2HD LYS 19 11.500 22.806 13.644 156 2HD LYS 19 3HD LYS 19 12.546 23.998 14.419 157 1HE LYS 19 2HE LYS 19 13.638 23.670 12.421 158 2HE LYS 19 3HE LYS 19 14.466 22.511 13.460 159 1HZ LYS 19 1HZ LYS 19 12.181 21.810 11.702 160 2HZ LYS 19 2HZ LYS 19 13.176 20.744 12.559 161 3HZ LYS 19 3HZ LYS 19 13.802 21.623 11.256 162 H VAL 20 H VAL 20 9.424 19.722 15.092 163 HA VAL 20 HA VAL 20 8.112 21.602 16.881 164 HB VAL 20 HB VAL 20 7.692 21.716 14.446 165 1HG1 VAL 20 1HG1 VAL 20 7.072 19.964 13.206 166 2HG1 VAL 20 2HG1 VAL 20 7.518 18.971 14.596 167 3HG1 VAL 20 3HG1 VAL 20 5.842 19.471 14.369 168 1HG2 VAL 20 1HG2 VAL 20 5.436 22.245 14.637 169 2HG2 VAL 20 2HG2 VAL 20 5.121 20.932 15.771 170 3HG2 VAL 20 3HG2 VAL 20 6.013 22.359 16.299 171 H THR 21 H THR 21 6.448 21.117 18.268 172 HA THR 21 HA THR 21 5.831 18.260 18.643 173 HB THR 21 HB THR 21 7.368 19.118 20.413 174 HG1 THR 21 1HG THR 21 6.359 17.809 21.746 175 1HG2 THR 21 1HG2 THR 21 6.859 20.864 21.803 176 2HG2 THR 21 2HG2 THR 21 5.118 20.648 21.617 177 3HG2 THR 21 3HG2 THR 21 6.052 21.419 20.337 178 H GLU 22 H GLU 22 3.797 17.915 19.916 179 HA GLU 22 HA GLU 22 1.748 19.746 18.921 180 1HB GLU 22 2HB GLU 22 1.792 17.108 18.726 181 2HB GLU 22 3HB GLU 22 1.086 17.200 20.334 182 1HG GLU 22 2HG GLU 22 -0.653 18.737 19.353 183 2HG GLU 22 3HG GLU 22 -0.019 18.299 17.767 184 H SER 23 H SER 23 1.020 21.282 20.219 185 HA SER 23 HA SER 23 1.242 20.934 23.120 186 1HB SER 23 2HB SER 23 2.244 22.969 22.174 187 2HB SER 23 3HB SER 23 0.684 23.427 21.492 188 HG SER 23 HG SER 23 0.777 24.499 23.385 189 H GLY 24 H GLY 24 -0.845 19.672 21.434 190 1HA GLY 24 2HA GLY 24 -3.285 21.091 22.115 191 2HA GLY 24 3HA GLY 24 -3.169 19.571 21.239 192 H GLU 25 H GLU 25 -2.968 21.027 24.453 193 HA GLU 25 HA GLU 25 -3.510 18.387 25.629 194 1HB GLU 25 2HB GLU 25 -2.817 19.479 27.783 195 2HB GLU 25 3HB GLU 25 -1.544 19.353 26.576 196 1HG GLU 25 2HG GLU 25 -1.615 21.639 26.095 197 2HG GLU 25 3HG GLU 25 -3.182 21.844 26.876 198 H ILE 26 H ILE 26 -4.705 21.648 25.310 199 HA ILE 26 HA ILE 26 -7.036 20.961 26.969 200 HB ILE 26 HB ILE 26 -5.800 22.983 27.666 201 1HG1 ILE 26 2HG1 ILE 26 -8.551 23.550 26.538 202 2HG1 ILE 26 3HG1 ILE 26 -8.220 22.783 28.087 203 1HG2 ILE 26 1HG2 ILE 26 -5.394 23.474 25.063 204 2HG2 ILE 26 2HG2 ILE 26 -6.770 24.537 25.349 205 3HG2 ILE 26 3HG2 ILE 26 -5.300 24.721 26.306 206 1HD1 ILE 26 1HD1 ILE 26 -8.266 24.791 29.005 207 2HD1 ILE 26 2HD1 ILE 26 -6.793 25.181 28.117 208 3HD1 ILE 26 3HD1 ILE 26 -8.368 25.565 27.423 209 H THR 27 H THR 27 -9.116 21.252 26.190 210 HA THR 27 HA THR 27 -9.525 22.209 23.482 211 HB THR 27 HB THR 27 -9.026 19.939 22.943 212 HG1 THR 27 1HG THR 27 -11.150 20.981 22.218 213 1HG2 THR 27 1HG2 THR 27 -10.940 19.196 25.157 214 2HG2 THR 27 2HG2 THR 27 -9.201 18.906 25.113 215 3HG2 THR 27 3HG2 THR 27 -10.266 18.053 23.997 216 H LYS 28 H LYS 28 -11.684 22.721 23.017 217 HA LYS 28 HA LYS 28 -13.395 22.897 25.395 218 1HB LYS 28 2HB LYS 28 -14.476 24.747 24.367 219 2HB LYS 28 3HB LYS 28 -12.750 24.983 24.124 220 1HG LYS 28 2HG LYS 28 -13.024 24.004 21.840 221 2HG LYS 28 3HG LYS 28 -14.768 24.028 22.108 222 1HD LYS 28 2HD LYS 28 -14.420 26.026 20.996 223 2HD LYS 28 3HD LYS 28 -14.379 26.534 22.687 224 1HE LYS 28 2HE LYS 28 -12.543 27.594 21.659 225 2HE LYS 28 3HE LYS 28 -11.864 26.242 22.565 226 1HZ LYS 28 1HZ LYS 28 -11.015 25.421 20.709 227 2HZ LYS 28 2HZ LYS 28 -11.545 26.790 19.871 228 3HZ LYS 28 3HZ LYS 28 -12.526 25.414 19.948 229 H SER 29 H SER 29 -15.439 22.073 25.443 230 HA SER 29 HA SER 29 -16.640 20.970 23.046 231 1HB SER 29 2HB SER 29 -15.574 18.978 23.488 232 2HB SER 29 3HB SER 29 -15.479 19.290 25.220 233 HG SER 29 HG SER 29 -17.673 18.361 23.707 234 H ALA 30 H ALA 30 -18.826 20.963 23.135 235 HA ALA 30 HA ALA 30 -20.092 22.314 25.314 236 1HB ALA 30 1HB ALA 30 -21.417 22.858 23.615 237 2HB ALA 30 2HB ALA 30 -20.766 21.563 22.611 238 3HB ALA 30 3HB ALA 30 -22.100 21.234 23.717 239 H HIS 31 H HIS 31 -20.662 19.086 23.894 240 HA HIS 31 HA HIS 31 -20.977 17.945 26.537 241 1HB HIS 31 2HB HIS 31 -23.266 18.430 24.693 242 2HB HIS 31 3HB HIS 31 -23.237 16.906 25.574 243 HD1 HIS 31 1HD HIS 31 -22.717 17.386 28.319 244 HD2 HIS 31 2HD HIS 31 -24.586 20.332 26.064 245 HE1 HIS 31 1HE HIS 31 -23.872 18.875 29.984 246 HA PRO 32 HA PRO 32 -19.426 14.316 24.624 247 1HB PRO 32 2HB PRO 32 -20.719 12.343 25.966 248 2HB PRO 32 3HB PRO 32 -19.445 13.327 26.697 249 1HG PRO 32 2HG PRO 32 -22.417 13.591 26.941 250 2HG PRO 32 3HG PRO 32 -21.175 13.723 28.200 251 1HD PRO 32 2HD PRO 32 -22.325 15.890 27.055 252 2HD PRO 32 3HD PRO 32 -20.644 15.891 27.625 253 H ALA 33 H ALA 33 -19.812 13.199 22.804 254 HA ALA 33 HA ALA 33 -22.361 13.343 21.538 255 1HB ALA 33 1HB ALA 33 -20.658 13.398 19.999 256 2HB ALA 33 2HB ALA 33 -19.713 12.167 20.837 257 3HB ALA 33 3HB ALA 33 -21.136 11.703 19.905 258 H ARG 34 H ARG 34 -24.039 12.089 21.991 259 HA ARG 34 HA ARG 34 -24.025 9.844 23.614 260 1HB ARG 34 2HB ARG 34 -26.280 9.387 22.741 261 2HB ARG 34 3HB ARG 34 -26.059 11.088 23.125 262 1HG ARG 34 2HG ARG 34 -25.552 11.436 20.669 263 2HG ARG 34 3HG ARG 34 -26.149 9.794 20.420 264 1HD ARG 34 2HD ARG 34 -27.745 11.925 21.822 265 2HD ARG 34 3HD ARG 34 -27.825 11.658 20.081 266 HE ARG 34 HE ARG 34 -28.280 9.263 21.566 267 1HH1 ARG 34 2HH1 ARG 34 -29.774 12.194 20.430 268 2HH1 ARG 34 1HH1 ARG 34 -31.375 11.531 20.427 269 1HH2 ARG 34 2HH2 ARG 34 -30.382 8.378 21.567 270 2HH2 ARG 34 1HH2 ARG 34 -31.720 9.360 21.075 271 H PHE 35 H PHE 35 -23.587 7.744 23.331 272 HA PHE 35 HA PHE 35 -22.630 6.885 20.719 273 1HB PHE 35 2HB PHE 35 -22.335 5.895 23.517 274 2HB PHE 35 3HB PHE 35 -22.153 4.738 22.203 275 HD1 PHE 35 1HD PHE 35 -20.208 4.696 20.866 276 HD2 PHE 35 2HD PHE 35 -20.824 7.861 23.644 277 HE1 PHE 35 1HE PHE 35 -17.881 5.426 20.545 278 HE2 PHE 35 2HE PHE 35 -18.498 8.598 23.326 279 HZ PHE 35 HZ PHE 35 -17.023 7.380 21.775 280 H SER 36 H SER 36 -24.781 5.548 23.232 281 HA SER 36 HA SER 36 -26.815 4.866 21.367 282 1HB SER 36 2HB SER 36 -24.808 2.793 22.114 283 2HB SER 36 3HB SER 36 -26.500 2.302 22.029 284 HG SER 36 HG SER 36 -26.561 2.909 19.898 285 HA PRO 37 HA PRO 37 -29.246 4.692 25.014 286 1HB PRO 37 2HB PRO 37 -31.139 2.855 24.371 287 2HB PRO 37 3HB PRO 37 -31.090 4.473 23.661 288 1HG PRO 37 2HG PRO 37 -30.115 1.879 22.529 289 2HG PRO 37 3HG PRO 37 -31.015 3.181 21.729 290 1HD PRO 37 2HD PRO 37 -28.338 2.875 21.453 291 2HD PRO 37 3HD PRO 37 -29.126 4.466 21.421 292 H ASP 38 H ASP 38 -28.192 1.565 23.749 293 HA ASP 38 HA ASP 38 -27.980 0.598 26.523 294 1HB ASP 38 2HB ASP 38 -29.156 -0.733 24.123 295 2HB ASP 38 3HB ASP 38 -28.301 -1.730 25.295 296 H ASP 39 H ASP 39 -26.136 -0.494 27.065 297 HA ASP 39 HA ASP 39 -23.902 -0.198 25.249 298 1HB ASP 39 2HB ASP 39 -23.778 0.331 27.711 299 2HB ASP 39 3HB ASP 39 -23.892 -1.400 28.022 300 H LYS 40 H LYS 40 -26.045 -2.682 26.290 301 HA LYS 40 HA LYS 40 -24.294 -4.843 25.457 302 1HB LYS 40 2HB LYS 40 -26.980 -4.648 26.744 303 2HB LYS 40 3HB LYS 40 -26.573 -6.129 25.886 304 1HG LYS 40 2HG LYS 40 -25.816 -6.714 27.931 305 2HG LYS 40 3HG LYS 40 -24.364 -5.894 27.354 306 1HD LYS 40 2HD LYS 40 -25.196 -3.806 28.433 307 2HD LYS 40 3HD LYS 40 -26.524 -4.745 29.119 308 1HE LYS 40 2HE LYS 40 -23.639 -5.478 29.545 309 2HE LYS 40 3HE LYS 40 -24.495 -4.359 30.603 310 1HZ LYS 40 1HZ LYS 40 -25.131 -6.161 31.712 311 2HZ LYS 40 2HZ LYS 40 -24.633 -7.213 30.485 312 3HZ LYS 40 3HZ LYS 40 -26.166 -6.500 30.418 313 H TYR 41 H TYR 41 -27.028 -3.035 24.243 314 HA TYR 41 HA TYR 41 -27.885 -4.713 22.197 315 1HB TYR 41 2HB TYR 41 -28.014 -1.797 22.730 316 2HB TYR 41 3HB TYR 41 -28.308 -2.307 21.071 317 HD1 TYR 41 1HD TYR 41 -29.299 -3.483 24.486 318 HD2 TYR 41 2HD TYR 41 -30.528 -2.533 20.524 319 HE1 TYR 41 1HE TYR 41 -31.618 -4.050 25.076 320 HE2 TYR 41 2HE TYR 41 -32.851 -3.096 21.105 321 HH TYR 41 HH TYR 41 -34.034 -3.243 24.026 322 H SER 42 H SER 42 -25.017 -2.802 22.463 323 HA SER 42 HA SER 42 -24.420 -2.813 19.644 324 1HB SER 42 2HB SER 42 -23.659 -1.071 21.389 325 2HB SER 42 3HB SER 42 -22.429 -2.254 21.835 326 HG SER 42 HG SER 42 -21.374 -1.809 20.069 327 H ARG 43 H ARG 43 -23.704 -4.791 22.420 328 HA ARG 43 HA ARG 43 -21.544 -6.233 21.231 329 1HB ARG 43 2HB ARG 43 -23.288 -6.718 23.637 330 2HB ARG 43 3HB ARG 43 -22.071 -7.879 23.124 331 1HG ARG 43 2HG ARG 43 -20.340 -6.162 23.372 332 2HG ARG 43 3HG ARG 43 -21.569 -5.017 23.915 333 1HD ARG 43 2HD ARG 43 -20.482 -5.906 25.849 334 2HD ARG 43 3HD ARG 43 -22.106 -6.588 25.775 335 HE ARG 43 HE ARG 43 -20.486 -8.402 24.493 336 1HH1 ARG 43 2HH1 ARG 43 -20.651 -6.972 27.663 337 2HH1 ARG 43 1HH1 ARG 43 -19.971 -8.349 28.463 338 1HH2 ARG 43 2HH2 ARG 43 -19.588 -10.222 25.535 339 2HH2 ARG 43 1HH2 ARG 43 -19.366 -10.197 27.251 340 H GLN 44 H GLN 44 -25.004 -6.508 21.196 341 HA GLN 44 HA GLN 44 -25.154 -9.224 20.372 342 1HB GLN 44 2HB GLN 44 -27.221 -7.137 19.727 343 2HB GLN 44 3HB GLN 44 -27.456 -8.851 20.041 344 1HG GLN 44 2HG GLN 44 -26.356 -8.013 22.383 345 2HG GLN 44 3HG GLN 44 -27.288 -6.598 21.897 346 1HE2 GLN 44 1HE2 GLN 44 -27.395 -9.498 23.493 347 2HE2 GLN 44 2HE2 GLN 44 -29.106 -9.732 23.530 348 H ARG 45 H ARG 45 -25.247 -6.141 18.612 349 HA ARG 45 HA ARG 45 -25.717 -7.068 16.056 350 1HB ARG 45 2HB ARG 45 -24.264 -4.716 17.173 351 2HB ARG 45 3HB ARG 45 -24.087 -5.059 15.458 352 1HG ARG 45 2HG ARG 45 -26.811 -4.933 16.667 353 2HG ARG 45 3HG ARG 45 -25.946 -3.444 16.280 354 1HD ARG 45 2HD ARG 45 -26.431 -5.681 14.319 355 2HD ARG 45 3HD ARG 45 -27.466 -4.261 14.474 356 HE ARG 45 HE ARG 45 -24.697 -3.630 14.039 357 1HH1 ARG 45 2HH1 ARG 45 -27.726 -4.417 12.515 358 2HH1 ARG 45 1HH1 ARG 45 -27.317 -3.659 11.013 359 1HH2 ARG 45 2HH2 ARG 45 -24.146 -2.628 12.066 360 2HH2 ARG 45 1HH2 ARG 45 -25.280 -2.642 10.758 361 H VAL 46 H VAL 46 -22.770 -7.178 17.936 362 HA VAL 46 HA VAL 46 -21.039 -7.863 15.775 363 HB VAL 46 HB VAL 46 -20.684 -8.310 18.743 364 1HG1 VAL 46 1HG1 VAL 46 -18.278 -8.462 18.191 365 2HG1 VAL 46 2HG1 VAL 46 -19.229 -9.776 17.492 366 3HG1 VAL 46 3HG1 VAL 46 -18.697 -8.433 16.477 367 1HG2 VAL 46 1HG2 VAL 46 -20.202 -6.150 18.922 368 2HG2 VAL 46 2HG2 VAL 46 -19.036 -6.256 17.604 369 3HG2 VAL 46 3HG2 VAL 46 -20.734 -5.929 17.255 370 H THR 47 H THR 47 -22.817 -9.719 18.205 371 HA THR 47 HA THR 47 -21.758 -12.247 17.650 372 HB THR 47 HB THR 47 -24.646 -12.028 18.363 373 HG1 THR 47 1HG THR 47 -22.499 -11.237 20.067 374 1HG2 THR 47 1HG2 THR 47 -22.321 -13.643 19.417 375 2HG2 THR 47 2HG2 THR 47 -23.595 -14.213 18.341 376 3HG2 THR 47 3HG2 THR 47 -23.979 -13.760 20.001 377 H LEU 48 H LEU 48 -21.730 -13.250 15.753 378 HA LEU 48 HA LEU 48 -23.560 -12.628 13.646 379 1HB LEU 48 2HB LEU 48 -22.382 -14.334 12.383 380 2HB LEU 48 3HB LEU 48 -21.250 -13.254 13.193 381 HG LEU 48 HG LEU 48 -21.265 -15.168 15.014 382 1HD1 LEU 48 1HD1 LEU 48 -22.717 -16.765 14.290 383 2HD1 LEU 48 2HD1 LEU 48 -21.245 -17.342 13.510 384 3HD1 LEU 48 3HD1 LEU 48 -22.428 -16.417 12.585 385 1HD2 LEU 48 1HD2 LEU 48 -19.410 -16.275 13.600 386 2HD2 LEU 48 2HD2 LEU 48 -19.224 -14.587 14.075 387 3HD2 LEU 48 3HD2 LEU 48 -19.747 -14.990 12.439 388 H LYS 49 H LYS 49 -23.832 -14.548 16.350 389 HA LYS 49 HA LYS 49 -25.064 -16.880 15.541 390 1HB LYS 49 2HB LYS 49 -25.507 -15.122 17.944 391 2HB LYS 49 3HB LYS 49 -26.397 -16.623 17.727 392 1HG LYS 49 2HG LYS 49 -24.383 -17.906 17.778 393 2HG LYS 49 3HG LYS 49 -23.393 -16.444 17.758 394 1HD LYS 49 2HD LYS 49 -23.356 -16.961 19.997 395 2HD LYS 49 3HD LYS 49 -24.745 -15.873 19.932 396 1HE LYS 49 2HE LYS 49 -25.167 -18.800 19.554 397 2HE LYS 49 3HE LYS 49 -24.897 -18.177 21.179 398 1HZ LYS 49 1HZ LYS 49 -26.734 -16.476 20.340 399 2HZ LYS 49 2HZ LYS 49 -27.126 -17.938 21.093 400 3HZ LYS 49 3HZ LYS 49 -27.179 -17.814 19.407 401 H LYS 50 H LYS 50 -26.311 -13.626 15.549 402 HA LYS 50 HA LYS 50 -29.037 -14.035 15.442 403 1HB LYS 50 2HB LYS 50 -29.081 -11.952 14.004 404 2HB LYS 50 3HB LYS 50 -28.233 -11.803 15.539 405 1HG LYS 50 2HG LYS 50 -26.275 -11.376 14.551 406 2HG LYS 50 3HG LYS 50 -26.520 -12.610 13.311 407 1HD LYS 50 2HD LYS 50 -28.283 -10.904 12.392 408 2HD LYS 50 3HD LYS 50 -27.343 -9.739 13.328 409 1HE LYS 50 2HE LYS 50 -25.334 -10.338 12.124 410 2HE LYS 50 3HE LYS 50 -26.197 -11.607 11.256 411 1HZ LYS 50 1HZ LYS 50 -25.895 -9.537 9.966 412 2HZ LYS 50 2HZ LYS 50 -26.872 -8.723 11.081 413 3HZ LYS 50 3HZ LYS 50 -27.519 -9.977 10.148 414 H ARG 51 H ARG 51 -30.054 -15.503 14.241 415 HA ARG 51 HA ARG 51 -29.272 -15.781 11.413 416 1HB ARG 51 2HB ARG 51 -29.004 -17.810 12.872 417 2HB ARG 51 3HB ARG 51 -30.747 -17.807 13.099 418 1HG ARG 51 2HG ARG 51 -31.168 -18.517 10.971 419 2HG ARG 51 3HG ARG 51 -29.688 -17.807 10.325 420 1HD ARG 51 2HD ARG 51 -29.760 -20.198 12.157 421 2HD ARG 51 3HD ARG 51 -29.695 -20.304 10.398 422 HE ARG 51 HE ARG 51 -27.601 -18.696 11.528 423 1HH1 ARG 51 2HH1 ARG 51 -28.590 -21.930 10.703 424 2HH1 ARG 51 1HH1 ARG 51 -26.970 -22.531 10.568 425 1HH2 ARG 51 2HH2 ARG 51 -25.465 -19.475 11.352 426 2HH2 ARG 51 1HH2 ARG 51 -25.194 -21.133 10.938 427 H PHE 52 H PHE 52 -31.851 -15.115 13.630 428 HA PHE 52 HA PHE 52 -34.003 -14.436 13.350 429 1HB PHE 52 2HB PHE 52 -32.777 -13.639 10.722 430 2HB PHE 52 3HB PHE 52 -34.485 -13.363 11.045 431 HD1 PHE 52 1HD PHE 52 -31.075 -12.609 12.272 432 HD2 PHE 52 2HD PHE 52 -35.190 -11.523 12.304 433 HE1 PHE 52 1HE PHE 52 -30.510 -10.517 13.439 434 HE2 PHE 52 2HE PHE 52 -34.632 -9.429 13.470 435 HZ PHE 52 HZ PHE 52 -32.290 -8.924 14.038 436 H GLY 53 H GLY 53 -33.416 -17.194 12.896 437 1HA GLY 53 2HA GLY 53 -35.337 -17.885 10.767 438 2HA GLY 53 3HA GLY 53 -34.087 -18.959 11.378 439 H LEU 54 H LEU 54 -36.310 -16.970 13.273 440 HA LEU 54 HA LEU 54 -36.927 -18.951 15.120 441 1HB LEU 54 2HB LEU 54 -37.344 -16.450 15.263 442 2HB LEU 54 3HB LEU 54 -38.811 -16.744 14.330 443 HG LEU 54 HG LEU 54 -39.692 -18.138 16.118 444 1HD1 LEU 54 1HD1 LEU 54 -38.286 -17.850 18.348 445 2HD1 LEU 54 2HD1 LEU 54 -36.953 -17.795 17.196 446 3HD1 LEU 54 3HD1 LEU 54 -38.022 -19.195 17.239 447 1HD2 LEU 54 1HD2 LEU 54 -40.546 -16.197 16.783 448 2HD2 LEU 54 2HD2 LEU 54 -39.070 -15.328 16.362 449 3HD2 LEU 54 3HD2 LEU 54 -39.222 -16.095 17.944 450 H VAL 55 H VAL 55 -39.224 -17.707 12.691 451 HA VAL 55 HA VAL 55 -40.053 -20.422 12.055 452 HB VAL 55 HB VAL 55 -42.030 -18.389 13.097 453 1HG1 VAL 55 1HG1 VAL 55 -42.311 -20.817 11.509 454 2HG1 VAL 55 2HG1 VAL 55 -43.293 -20.823 12.975 455 3HG1 VAL 55 3HG1 VAL 55 -43.463 -19.515 11.804 456 1HG2 VAL 55 1HG2 VAL 55 -40.876 -19.264 14.966 457 2HG2 VAL 55 2HG2 VAL 55 -42.391 -20.163 14.867 458 3HG2 VAL 55 3HG2 VAL 55 -40.891 -20.899 14.303 459 HA PRO 56 HA PRO 56 -40.018 -17.487 8.459 460 1HB PRO 56 2HB PRO 56 -38.657 -19.161 6.811 461 2HB PRO 56 3HB PRO 56 -37.855 -18.054 7.931 462 1HG PRO 56 2HG PRO 56 -38.409 -20.980 8.232 463 2HG PRO 56 3HG PRO 56 -36.939 -20.073 8.631 464 1HD PRO 56 2HD PRO 56 -38.753 -20.806 10.503 465 2HD PRO 56 3HD PRO 56 -37.800 -19.313 10.630 466 H GLY 57 H GLY 57 -42.152 -17.608 7.897 467 1HA GLY 57 2HA GLY 57 -43.475 -20.043 7.230 468 2HA GLY 57 3HA GLY 57 -44.095 -18.419 6.966 469 H GLN 58 H GLN 58 -43.492 -17.302 5.028 470 HA GLN 58 HA GLN 58 -43.338 -19.076 2.770 471 1HB GLN 58 2HB GLN 58 -44.711 -16.901 2.979 472 2HB GLN 58 3HB GLN 58 -43.199 -16.076 2.626 473 1HG GLN 58 2HG GLN 58 -44.164 -16.238 0.547 474 2HG GLN 58 3HG GLN 58 -43.101 -17.645 0.574 475 1HE2 GLN 58 1HE2 GLN 58 -44.200 -18.937 -0.799 476 2HE2 GLN 58 2HE2 GLN 58 -45.794 -19.536 -0.504 Start of MODEL 11 1 1H HIS 2 H HIS 2 14.698 20.493 26.959 2 HA HIS 2 HA HIS 2 12.744 21.386 25.298 3 1HB HIS 2 2HB HIS 2 15.305 21.350 23.701 4 2HB HIS 2 3HB HIS 2 13.702 21.840 23.160 5 HD1 HIS 2 1HD HIS 2 12.981 24.233 23.635 6 HD2 HIS 2 2HD HIS 2 16.647 23.255 25.325 7 HE1 HIS 2 1HE HIS 2 13.958 26.411 24.426 8 H LEU 3 H LEU 3 11.744 19.656 24.457 9 HA LEU 3 HA LEU 3 12.855 17.062 24.847 10 1HB LEU 3 2HB LEU 3 10.451 17.588 23.146 11 2HB LEU 3 3HB LEU 3 10.785 16.223 24.210 12 HG LEU 3 HG LEU 3 10.002 19.013 25.050 13 1HD1 LEU 3 1HD1 LEU 3 7.924 18.269 24.862 14 2HD1 LEU 3 2HD1 LEU 3 8.282 17.037 26.070 15 3HD1 LEU 3 3HD1 LEU 3 8.499 16.680 24.357 16 1HD2 LEU 3 1HD2 LEU 3 9.853 17.839 27.325 17 2HD2 LEU 3 2HD2 LEU 3 11.451 18.299 26.736 18 3HD2 LEU 3 3HD2 LEU 3 10.915 16.623 26.617 19 H MET 4 H MET 4 13.812 15.701 23.441 20 HA MET 4 HA MET 4 14.035 16.577 20.637 21 1HB MET 4 2HB MET 4 16.296 15.602 20.602 22 2HB MET 4 3HB MET 4 16.160 16.905 21.774 23 1HG MET 4 2HG MET 4 15.677 14.162 22.761 24 2HG MET 4 3HG MET 4 17.330 14.576 22.313 25 1HE MET 4 1HE MET 4 18.765 14.853 24.348 26 2HE MET 4 2HE MET 4 18.090 15.181 25.944 27 3HE MET 4 3HE MET 4 17.533 13.785 25.021 28 H TYR 5 H TYR 5 12.227 14.637 22.093 29 HA TYR 5 HA TYR 5 12.256 12.604 20.088 30 1HB TYR 5 2HB TYR 5 12.652 10.680 21.500 31 2HB TYR 5 3HB TYR 5 14.030 11.768 21.618 32 HD1 TYR 5 1HD TYR 5 14.007 13.427 23.628 33 HD2 TYR 5 2HD TYR 5 11.653 9.888 23.441 34 HE1 TYR 5 1HE TYR 5 13.784 13.452 26.078 35 HE2 TYR 5 2HE TYR 5 11.422 9.904 25.889 36 HH TYR 5 HH TYR 5 11.884 12.409 27.764 37 H THR 6 H THR 6 10.223 11.988 19.736 38 HA THR 6 HA THR 6 8.149 12.865 21.559 39 HB THR 6 HB THR 6 6.577 12.304 19.843 40 HG1 THR 6 1HG THR 6 8.745 10.839 18.749 41 1HG2 THR 6 1HG2 THR 6 7.142 14.054 18.572 42 2HG2 THR 6 2HG2 THR 6 8.557 13.219 17.931 43 3HG2 THR 6 3HG2 THR 6 8.666 14.094 19.458 44 H LEU 7 H LEU 7 6.756 11.575 22.698 45 HA LEU 7 HA LEU 7 7.633 8.827 23.120 46 1HB LEU 7 2HB LEU 7 5.600 10.499 24.590 47 2HB LEU 7 3HB LEU 7 6.116 8.878 25.054 48 HG LEU 7 HG LEU 7 7.753 11.407 25.106 49 1HD1 LEU 7 1HD1 LEU 7 6.425 11.338 27.025 50 2HD1 LEU 7 2HD1 LEU 7 7.962 10.643 27.537 51 3HD1 LEU 7 3HD1 LEU 7 6.590 9.589 27.189 52 1HD2 LEU 7 1HD2 LEU 7 9.531 10.118 24.735 53 2HD2 LEU 7 2HD2 LEU 7 8.584 8.636 24.866 54 3HD2 LEU 7 3HD2 LEU 7 9.220 9.408 26.319 55 H GLY 8 H GLY 8 6.197 7.040 23.072 56 1HA GLY 8 2HA GLY 8 4.137 7.320 21.026 57 2HA GLY 8 3HA GLY 8 4.790 5.811 21.648 58 HA PRO 9 HA PRO 9 0.545 6.681 23.464 59 1HB PRO 9 2HB PRO 9 -0.651 4.439 22.507 60 2HB PRO 9 3HB PRO 9 -0.601 5.961 21.607 61 1HG PRO 9 2HG PRO 9 1.128 3.534 21.320 62 2HG PRO 9 3HG PRO 9 0.396 4.542 20.058 63 1HD PRO 9 2HD PRO 9 2.993 4.776 20.784 64 2HD PRO 9 3HD PRO 9 2.030 6.158 20.224 65 H ASP 10 H ASP 10 2.984 4.334 23.587 66 HA ASP 10 HA ASP 10 1.704 2.923 25.823 67 1HB ASP 10 2HB ASP 10 2.609 1.560 23.935 68 2HB ASP 10 3HB ASP 10 4.217 2.165 24.323 69 H GLY 11 H GLY 11 4.167 5.181 25.038 70 1HA GLY 11 2HA GLY 11 4.981 6.554 26.892 71 2HA GLY 11 3HA GLY 11 5.109 5.078 27.837 72 H LYS 12 H LYS 12 6.077 4.356 24.762 73 HA LYS 12 HA LYS 12 8.826 4.158 25.537 74 1HB LYS 12 2HB LYS 12 7.614 2.525 24.051 75 2HB LYS 12 3HB LYS 12 7.649 3.745 22.786 76 1HG LYS 12 2HG LYS 12 10.048 3.699 22.728 77 2HG LYS 12 3HG LYS 12 10.099 2.616 24.122 78 1HD LYS 12 2HD LYS 12 9.659 0.797 22.876 79 2HD LYS 12 3HD LYS 12 8.460 1.644 21.893 80 1HE LYS 12 2HE LYS 12 10.597 2.839 20.923 81 2HE LYS 12 3HE LYS 12 11.405 1.386 21.509 82 1HZ LYS 12 1HZ LYS 12 10.440 1.475 19.112 83 2HZ LYS 12 2HZ LYS 12 8.977 1.110 19.879 84 3HZ LYS 12 3HZ LYS 12 10.295 0.060 20.029 85 H ARG 13 H ARG 13 10.615 5.035 24.253 86 HA ARG 13 HA ARG 13 10.001 7.755 23.307 87 1HB ARG 13 2HB ARG 13 12.502 8.119 23.810 88 2HB ARG 13 3HB ARG 13 11.390 8.012 25.168 89 1HG ARG 13 2HG ARG 13 12.621 5.478 24.300 90 2HG ARG 13 3HG ARG 13 13.701 6.666 25.032 91 1HD ARG 13 2HD ARG 13 13.015 5.886 27.005 92 2HD ARG 13 3HD ARG 13 11.483 6.695 26.679 93 HE ARG 13 HE ARG 13 10.516 4.648 26.377 94 1HH1 ARG 13 2HH1 ARG 13 13.972 4.308 26.144 95 2HH1 ARG 13 1HH1 ARG 13 13.927 2.577 26.067 96 1HH2 ARG 13 2HH2 ARG 13 10.444 2.370 26.277 97 2HH2 ARG 13 1HH2 ARG 13 11.919 1.476 26.143 98 H ILE 14 H ILE 14 10.941 8.517 21.417 99 HA ILE 14 HA ILE 14 12.539 6.647 19.833 100 HB ILE 14 HB ILE 14 10.086 8.022 18.733 101 1HG1 ILE 14 2HG1 ILE 14 10.525 5.067 19.195 102 2HG1 ILE 14 3HG1 ILE 14 9.630 6.104 20.301 103 1HG2 ILE 14 1HG2 ILE 14 11.822 7.797 17.072 104 2HG2 ILE 14 2HG2 ILE 14 12.041 6.097 17.484 105 3HG2 ILE 14 3HG2 ILE 14 10.537 6.637 16.737 106 1HD1 ILE 14 1HD1 ILE 14 7.999 5.065 19.004 107 2HD1 ILE 14 2HD1 ILE 14 8.164 6.670 18.293 108 3HD1 ILE 14 3HD1 ILE 14 8.916 5.279 17.514 109 H TYR 15 H TYR 15 14.296 8.039 20.152 110 HA TYR 15 HA TYR 15 14.379 10.778 19.843 111 1HB TYR 15 2HB TYR 15 16.563 8.884 18.961 112 2HB TYR 15 3HB TYR 15 16.752 10.555 19.480 113 HD1 TYR 15 1HD TYR 15 16.504 7.111 20.532 114 HD2 TYR 15 2HD TYR 15 16.337 11.144 21.881 115 HE1 TYR 15 1HE TYR 15 16.852 6.347 22.844 116 HE2 TYR 15 2HE TYR 15 16.686 10.390 24.196 117 HH TYR 15 HH TYR 15 17.080 6.942 24.966 118 H THR 16 H THR 16 13.424 11.805 18.192 119 HA THR 16 HA THR 16 14.338 11.149 15.476 120 HB THR 16 HB THR 16 11.512 12.048 15.977 121 HG1 THR 16 1HG THR 16 11.076 9.690 15.644 122 1HG2 THR 16 1HG2 THR 16 11.229 10.792 13.778 123 2HG2 THR 16 2HG2 THR 16 12.991 10.749 13.699 124 3HG2 THR 16 3HG2 THR 16 12.145 12.297 13.716 125 H LEU 17 H LEU 17 14.542 13.334 17.770 126 HA LEU 17 HA LEU 17 14.818 15.592 17.909 127 1HB LEU 17 2HB LEU 17 16.299 14.649 15.821 128 2HB LEU 17 3HB LEU 17 15.371 15.936 15.052 129 HG LEU 17 HG LEU 17 17.573 16.704 15.795 130 1HD1 LEU 17 1HD1 LEU 17 15.235 17.869 17.298 131 2HD1 LEU 17 2HD1 LEU 17 15.803 18.328 15.694 132 3HD1 LEU 17 3HD1 LEU 17 16.803 18.655 17.109 133 1HD2 LEU 17 1HD2 LEU 17 17.184 16.897 18.588 134 2HD2 LEU 17 2HD2 LEU 17 18.430 16.004 17.716 135 3HD2 LEU 17 3HD2 LEU 17 16.908 15.216 18.132 136 H LYS 18 H LYS 18 12.151 14.629 17.232 137 HA LYS 18 HA LYS 18 10.921 16.199 15.255 138 1HB LYS 18 2HB LYS 18 10.016 14.613 17.591 139 2HB LYS 18 3HB LYS 18 8.895 15.828 16.991 140 1HG LYS 18 2HG LYS 18 9.657 14.611 14.682 141 2HG LYS 18 3HG LYS 18 9.701 13.268 15.827 142 1HD LYS 18 2HD LYS 18 7.455 13.291 16.143 143 2HD LYS 18 3HD LYS 18 7.341 15.043 15.973 144 1HE LYS 18 2HE LYS 18 6.226 13.801 14.142 145 2HE LYS 18 3HE LYS 18 7.507 14.873 13.581 146 1HZ LYS 18 1HZ LYS 18 7.363 12.472 12.677 147 2HZ LYS 18 2HZ LYS 18 8.108 12.047 14.134 148 3HZ LYS 18 3HZ LYS 18 8.877 13.116 13.072 149 H LYS 19 H LYS 19 11.317 18.348 15.258 150 HA LYS 19 HA LYS 19 11.620 19.999 17.483 151 1HB LYS 19 2HB LYS 19 12.256 20.598 15.155 152 2HB LYS 19 3HB LYS 19 10.551 20.787 14.766 153 1HG LYS 19 2HG LYS 19 10.363 22.751 15.906 154 2HG LYS 19 3HG LYS 19 11.638 22.335 17.055 155 1HD LYS 19 2HD LYS 19 12.188 22.906 14.151 156 2HD LYS 19 3HD LYS 19 12.170 24.170 15.384 157 1HE LYS 19 2HE LYS 19 13.803 22.486 16.610 158 2HE LYS 19 3HE LYS 19 14.099 21.946 14.958 159 1HZ LYS 19 1HZ LYS 19 14.834 24.437 16.253 160 2HZ LYS 19 2HZ LYS 19 14.289 24.580 14.659 161 3HZ LYS 19 3HZ LYS 19 15.613 23.590 15.014 162 H VAL 20 H VAL 20 10.177 20.249 19.059 163 HA VAL 20 HA VAL 20 7.350 19.983 18.614 164 HB VAL 20 HB VAL 20 8.405 19.240 20.719 165 1HG1 VAL 20 1HG1 VAL 20 8.831 22.190 21.187 166 2HG1 VAL 20 2HG1 VAL 20 9.052 20.925 22.398 167 3HG1 VAL 20 3HG1 VAL 20 10.084 20.967 20.968 168 1HG2 VAL 20 1HG2 VAL 20 6.650 19.908 22.135 169 2HG2 VAL 20 2HG2 VAL 20 6.475 21.464 21.325 170 3HG2 VAL 20 3HG2 VAL 20 5.977 19.983 20.507 171 H THR 21 H THR 21 5.780 21.563 18.712 172 HA THR 21 HA THR 21 6.627 24.209 17.938 173 HB THR 21 HB THR 21 3.842 23.120 18.390 174 HG1 THR 21 1HG THR 21 5.450 23.415 16.059 175 1HG2 THR 21 1HG2 THR 21 3.964 25.574 18.576 176 2HG2 THR 21 2HG2 THR 21 3.077 25.065 17.139 177 3HG2 THR 21 3HG2 THR 21 4.736 25.644 16.992 178 H GLU 22 H GLU 22 7.073 25.777 19.330 179 HA GLU 22 HA GLU 22 6.434 25.564 22.110 180 1HB GLU 22 2HB GLU 22 7.537 27.759 22.303 181 2HB GLU 22 3HB GLU 22 8.515 26.603 21.411 182 1HG GLU 22 2HG GLU 22 7.871 27.621 19.316 183 2HG GLU 22 3HG GLU 22 6.799 28.736 20.162 184 H SER 23 H SER 23 4.979 26.728 23.318 185 HA SER 23 HA SER 23 2.587 27.533 22.037 186 1HB SER 23 2HB SER 23 3.256 28.348 24.847 187 2HB SER 23 3HB SER 23 1.709 27.835 24.177 188 HG SER 23 HG SER 23 3.143 26.324 25.546 189 H GLY 24 H GLY 24 5.097 29.396 23.749 190 1HA GLY 24 2HA GLY 24 5.871 31.532 23.245 191 2HA GLY 24 3HA GLY 24 4.648 31.649 21.989 192 H GLU 25 H GLU 25 4.942 33.873 23.313 193 HA GLU 25 HA GLU 25 2.958 33.902 25.479 194 1HB GLU 25 2HB GLU 25 3.864 36.093 26.070 195 2HB GLU 25 3HB GLU 25 5.136 34.879 26.027 196 1HG GLU 25 2HG GLU 25 5.577 35.696 23.644 197 2HG GLU 25 3HG GLU 25 4.587 37.089 24.081 198 H ILE 26 H ILE 26 1.571 35.911 25.551 199 HA ILE 26 HA ILE 26 0.760 36.721 22.838 200 HB ILE 26 HB ILE 26 -1.095 36.080 25.134 201 1HG1 ILE 26 2HG1 ILE 26 -0.916 34.678 22.471 202 2HG1 ILE 26 3HG1 ILE 26 0.015 34.151 23.868 203 1HG2 ILE 26 1HG2 ILE 26 -2.671 36.288 22.945 204 2HG2 ILE 26 2HG2 ILE 26 -2.385 37.598 24.089 205 3HG2 ILE 26 3HG2 ILE 26 -1.454 37.515 22.594 206 1HD1 ILE 26 1HD1 ILE 26 -1.718 32.981 24.569 207 2HD1 ILE 26 2HD1 ILE 26 -2.679 34.455 24.683 208 3HD1 ILE 26 3HD1 ILE 26 -2.658 33.530 23.182 209 H THR 27 H THR 27 0.179 38.832 22.554 210 HA THR 27 HA THR 27 0.685 40.615 24.832 211 HB THR 27 HB THR 27 2.118 41.087 22.954 212 HG1 THR 27 1HG THR 27 1.600 43.005 23.817 213 1HG2 THR 27 1HG2 THR 27 1.226 40.318 21.001 214 2HG2 THR 27 2HG2 THR 27 0.767 42.014 20.851 215 3HG2 THR 27 3HG2 THR 27 -0.409 40.829 21.419 216 H LYS 28 H LYS 28 -0.740 42.258 25.379 217 HA LYS 28 HA LYS 28 -3.497 41.715 24.941 218 1HB LYS 28 2HB LYS 28 -2.810 42.658 27.044 219 2HB LYS 28 3HB LYS 28 -2.078 44.043 26.242 220 1HG LYS 28 2HG LYS 28 -4.083 45.070 25.874 221 2HG LYS 28 3HG LYS 28 -4.980 43.551 25.837 222 1HD LYS 28 2HD LYS 28 -3.701 44.549 28.362 223 2HD LYS 28 3HD LYS 28 -5.301 45.102 27.862 224 1HE LYS 28 2HE LYS 28 -4.490 42.227 28.288 225 2HE LYS 28 3HE LYS 28 -5.415 43.207 29.425 226 1HZ LYS 28 1HZ LYS 28 -6.397 41.675 27.342 227 2HZ LYS 28 2HZ LYS 28 -6.618 43.282 26.867 228 3HZ LYS 28 3HZ LYS 28 -7.266 42.737 28.331 229 H SER 29 H SER 29 -4.568 42.174 23.144 230 HA SER 29 HA SER 29 -3.755 44.519 21.565 231 1HB SER 29 2HB SER 29 -3.880 42.061 20.620 232 2HB SER 29 3HB SER 29 -5.603 42.420 20.495 233 HG SER 29 HG SER 29 -3.503 43.962 19.365 234 H ALA 30 H ALA 30 -5.434 44.646 23.941 235 HA ALA 30 HA ALA 30 -7.754 45.946 22.711 236 1HB ALA 30 1HB ALA 30 -8.742 44.877 25.091 237 2HB ALA 30 2HB ALA 30 -9.146 44.379 23.447 238 3HB ALA 30 3HB ALA 30 -7.853 43.562 24.324 239 H HIS 31 H HIS 31 -8.552 47.720 23.838 240 HA HIS 31 HA HIS 31 -6.918 48.591 26.131 241 1HB HIS 31 2HB HIS 31 -7.834 50.046 23.696 242 2HB HIS 31 3HB HIS 31 -7.741 50.946 25.207 243 HD1 HIS 31 1HD HIS 31 -5.504 48.805 23.007 244 HD2 HIS 31 2HD HIS 31 -5.259 51.882 25.788 245 HE1 HIS 31 1HE HIS 31 -3.088 49.501 23.030 246 HA PRO 32 HA PRO 32 -10.546 49.148 28.531 247 1HB PRO 32 2HB PRO 32 -10.010 51.439 29.887 248 2HB PRO 32 3HB PRO 32 -9.195 49.908 30.228 249 1HG PRO 32 2HG PRO 32 -8.247 52.238 28.605 250 2HG PRO 32 3HG PRO 32 -7.354 51.258 29.782 251 1HD PRO 32 2HD PRO 32 -7.122 50.895 27.109 252 2HD PRO 32 3HD PRO 32 -6.978 49.559 28.269 253 H ALA 33 H ALA 33 -12.300 50.743 29.105 254 HA ALA 33 HA ALA 33 -13.408 51.842 26.757 255 1HB ALA 33 1HB ALA 33 -14.198 51.506 29.527 256 2HB ALA 33 2HB ALA 33 -14.779 53.026 28.847 257 3HB ALA 33 3HB ALA 33 -15.181 51.500 28.061 258 H ARG 34 H ARG 34 -12.369 53.482 25.770 259 HA ARG 34 HA ARG 34 -10.898 55.507 27.020 260 1HB ARG 34 2HB ARG 34 -12.290 55.540 24.336 261 2HB ARG 34 3HB ARG 34 -11.080 56.704 24.859 262 1HG ARG 34 2HG ARG 34 -9.354 55.223 24.639 263 2HG ARG 34 3HG ARG 34 -10.382 53.816 24.920 264 1HD ARG 34 2HD ARG 34 -11.100 53.735 22.741 265 2HD ARG 34 3HD ARG 34 -10.842 55.460 22.481 266 HE ARG 34 HE ARG 34 -8.395 54.053 22.899 267 1HH1 ARG 34 2HH1 ARG 34 -10.830 54.812 20.530 268 2HH1 ARG 34 1HH1 ARG 34 -9.761 54.627 19.180 269 1HH2 ARG 34 2HH2 ARG 34 -6.977 53.805 21.129 270 2HH2 ARG 34 1HH2 ARG 34 -7.570 54.052 19.522 271 H PHE 35 H PHE 35 -11.367 57.743 27.312 272 HA PHE 35 HA PHE 35 -14.224 58.272 27.795 273 1HB PHE 35 2HB PHE 35 -13.548 59.785 29.580 274 2HB PHE 35 3HB PHE 35 -12.847 58.192 29.847 275 HD1 PHE 35 1HD PHE 35 -10.435 57.815 29.293 276 HD2 PHE 35 2HD PHE 35 -12.195 61.690 29.351 277 HE1 PHE 35 1HE PHE 35 -8.197 58.824 29.454 278 HE2 PHE 35 2HE PHE 35 -9.960 62.706 29.510 279 HZ PHE 35 HZ PHE 35 -7.958 61.273 29.561 280 H SER 36 H SER 36 -15.152 59.987 26.845 281 HA SER 36 HA SER 36 -13.526 62.153 25.787 282 1HB SER 36 2HB SER 36 -13.587 60.480 23.959 283 2HB SER 36 3HB SER 36 -15.349 60.537 23.986 284 HG SER 36 HG SER 36 -14.650 61.930 22.401 285 HA PRO 37 HA PRO 37 -17.626 63.421 27.565 286 1HB PRO 37 2HB PRO 37 -16.603 65.402 29.113 287 2HB PRO 37 3HB PRO 37 -16.712 63.721 29.651 288 1HG PRO 37 2HG PRO 37 -14.359 65.210 28.549 289 2HG PRO 37 3HG PRO 37 -14.431 64.088 29.920 290 1HD PRO 37 2HD PRO 37 -13.529 63.348 27.475 291 2HD PRO 37 3HD PRO 37 -14.377 62.227 28.560 292 H ASP 38 H ASP 38 -15.163 64.784 25.672 293 HA ASP 38 HA ASP 38 -16.538 67.326 25.288 294 1HB ASP 38 2HB ASP 38 -14.018 67.142 25.441 295 2HB ASP 38 3HB ASP 38 -14.057 66.342 23.873 296 H ASP 39 H ASP 39 -17.345 64.465 24.332 297 HA ASP 39 HA ASP 39 -17.435 64.739 21.470 298 1HB ASP 39 2HB ASP 39 -18.423 62.741 23.459 299 2HB ASP 39 3HB ASP 39 -19.137 62.747 21.849 300 H LYS 40 H LYS 40 -19.408 65.678 24.131 301 HA LYS 40 HA LYS 40 -21.872 65.890 22.695 302 1HB LYS 40 2HB LYS 40 -20.903 66.929 25.347 303 2HB LYS 40 3HB LYS 40 -22.476 67.383 24.706 304 1HG LYS 40 2HG LYS 40 -22.733 64.767 24.450 305 2HG LYS 40 3HG LYS 40 -21.525 64.768 25.738 306 1HD LYS 40 2HD LYS 40 -24.044 66.405 25.890 307 2HD LYS 40 3HD LYS 40 -23.970 64.732 26.449 308 1HE LYS 40 2HE LYS 40 -22.265 67.019 27.433 309 2HE LYS 40 3HE LYS 40 -23.621 66.290 28.292 310 1HZ LYS 40 1HZ LYS 40 -20.978 65.107 27.697 311 2HZ LYS 40 2HZ LYS 40 -22.305 64.141 28.106 312 3HZ LYS 40 3HZ LYS 40 -21.733 65.298 29.199 313 H TYR 41 H TYR 41 -19.125 67.963 23.235 314 HA TYR 41 HA TYR 41 -20.362 70.408 22.490 315 1HB TYR 41 2HB TYR 41 -17.555 69.461 22.851 316 2HB TYR 41 3HB TYR 41 -17.820 70.960 21.969 317 HD1 TYR 41 1HD TYR 41 -19.164 69.374 25.085 318 HD2 TYR 41 2HD TYR 41 -17.577 72.863 23.236 319 HE1 TYR 41 1HE TYR 41 -19.361 70.586 27.215 320 HE2 TYR 41 2HE TYR 41 -17.769 74.083 25.362 321 HH TYR 41 HH TYR 41 -17.877 73.579 27.772 322 H SER 42 H SER 42 -19.514 67.684 20.710 323 HA SER 42 HA SER 42 -18.895 69.059 18.245 324 1HB SER 42 2HB SER 42 -17.919 66.824 18.869 325 2HB SER 42 3HB SER 42 -19.519 66.124 18.632 326 HG SER 42 HG SER 42 -18.670 65.892 16.679 327 H ARG 43 H ARG 43 -21.661 68.722 19.899 328 HA ARG 43 HA ARG 43 -23.412 67.988 17.711 329 1HB ARG 43 2HB ARG 43 -23.747 68.605 20.605 330 2HB ARG 43 3HB ARG 43 -25.134 68.849 19.552 331 1HG ARG 43 2HG ARG 43 -25.560 66.701 20.005 332 2HG ARG 43 3HG ARG 43 -24.335 66.382 18.776 333 1HD ARG 43 2HD ARG 43 -23.577 65.081 20.516 334 2HD ARG 43 3HD ARG 43 -22.681 66.576 20.786 335 HE ARG 43 HE ARG 43 -23.873 66.911 22.721 336 1HH1 ARG 43 2HH1 ARG 43 -25.370 64.385 20.850 337 2HH1 ARG 43 1HH1 ARG 43 -26.456 63.913 22.115 338 1HH2 ARG 43 2HH2 ARG 43 -25.297 66.299 24.394 339 2HH2 ARG 43 1HH2 ARG 43 -26.414 65.003 24.129 340 H GLN 44 H GLN 44 -21.780 70.735 18.573 341 HA GLN 44 HA GLN 44 -23.634 72.798 18.299 342 1HB GLN 44 2HB GLN 44 -21.814 74.243 18.045 343 2HB GLN 44 3HB GLN 44 -21.149 72.901 18.968 344 1HG GLN 44 2HG GLN 44 -20.905 73.131 15.982 345 2HG GLN 44 3HG GLN 44 -19.708 73.766 17.109 346 1HE2 GLN 44 1HE2 GLN 44 -18.196 72.439 17.879 347 2HE2 GLN 44 2HE2 GLN 44 -18.148 70.731 17.626 348 H ARG 45 H ARG 45 -22.295 70.666 15.942 349 HA ARG 45 HA ARG 45 -22.480 72.134 13.604 350 1HB ARG 45 2HB ARG 45 -21.932 69.522 14.227 351 2HB ARG 45 3HB ARG 45 -23.454 69.376 13.359 352 1HG ARG 45 2HG ARG 45 -22.163 69.315 11.538 353 2HG ARG 45 3HG ARG 45 -22.077 71.067 11.740 354 1HD ARG 45 2HD ARG 45 -20.098 69.020 12.730 355 2HD ARG 45 3HD ARG 45 -19.853 70.197 11.440 356 HE ARG 45 HE ARG 45 -20.497 71.355 14.000 357 1HH1 ARG 45 2HH1 ARG 45 -17.960 70.232 11.896 358 2HH1 ARG 45 1HH1 ARG 45 -16.734 71.201 12.643 359 1HH2 ARG 45 2HH2 ARG 45 -18.890 72.635 14.991 360 2HH2 ARG 45 1HH2 ARG 45 -17.264 72.567 14.404 361 H VAL 46 H VAL 46 -25.017 70.444 15.383 362 HA VAL 46 HA VAL 46 -27.045 70.988 13.424 363 HB VAL 46 HB VAL 46 -27.489 70.201 16.302 364 1HG1 VAL 46 1HG1 VAL 46 -29.529 69.155 15.370 365 2HG1 VAL 46 2HG1 VAL 46 -29.492 70.907 15.156 366 3HG1 VAL 46 3HG1 VAL 46 -29.129 69.843 13.796 367 1HG2 VAL 46 1HG2 VAL 46 -27.688 67.919 14.716 368 2HG2 VAL 46 2HG2 VAL 46 -26.211 68.718 14.177 369 3HG2 VAL 46 3HG2 VAL 46 -26.415 68.296 15.877 370 H THR 47 H THR 47 -26.204 72.300 16.614 371 HA THR 47 HA THR 47 -28.297 74.143 16.830 372 HB THR 47 HB THR 47 -25.557 74.728 17.916 373 HG1 THR 47 1HG THR 47 -26.303 73.330 19.720 374 1HG2 THR 47 1HG2 THR 47 -28.292 75.599 18.410 375 2HG2 THR 47 2HG2 THR 47 -26.766 76.350 18.876 376 3HG2 THR 47 3HG2 THR 47 -27.467 75.081 19.880 377 H LEU 48 H LEU 48 -28.646 76.144 16.040 378 HA LEU 48 HA LEU 48 -26.590 77.808 14.987 379 1HB LEU 48 2HB LEU 48 -28.098 76.049 13.170 380 2HB LEU 48 3HB LEU 48 -27.994 77.737 12.677 381 HG LEU 48 HG LEU 48 -25.384 76.977 13.381 382 1HD1 LEU 48 1HD1 LEU 48 -26.706 74.647 12.884 383 2HD1 LEU 48 2HD1 LEU 48 -24.977 74.902 12.652 384 3HD1 LEU 48 3HD1 LEU 48 -26.082 75.058 11.287 385 1HD2 LEU 48 1HD2 LEU 48 -26.395 77.044 10.565 386 2HD2 LEU 48 2HD2 LEU 48 -24.875 77.650 11.221 387 3HD2 LEU 48 3HD2 LEU 48 -26.381 78.508 11.548 388 H LYS 49 H LYS 49 -27.254 79.749 15.591 389 HA LYS 49 HA LYS 49 -30.133 80.359 15.468 390 1HB LYS 49 2HB LYS 49 -27.988 81.171 17.395 391 2HB LYS 49 3HB LYS 49 -29.385 82.214 17.159 392 1HG LYS 49 2HG LYS 49 -30.098 80.958 18.923 393 2HG LYS 49 3HG LYS 49 -30.715 79.990 17.581 394 1HD LYS 49 2HD LYS 49 -29.698 78.379 18.876 395 2HD LYS 49 3HD LYS 49 -28.396 78.797 17.758 396 1HE LYS 49 2HE LYS 49 -27.190 79.903 19.364 397 2HE LYS 49 3HE LYS 49 -28.620 80.307 20.314 398 1HZ LYS 49 1HZ LYS 49 -26.966 77.916 20.375 399 2HZ LYS 49 2HZ LYS 49 -28.631 77.667 20.538 400 3HZ LYS 49 3HZ LYS 49 -27.816 78.678 21.623 401 H LYS 50 H LYS 50 -26.903 81.457 14.698 402 HA LYS 50 HA LYS 50 -27.441 84.075 13.911 403 1HB LYS 50 2HB LYS 50 -25.365 82.059 13.150 404 2HB LYS 50 3HB LYS 50 -25.464 83.568 12.252 405 1HG LYS 50 2HG LYS 50 -23.968 84.189 13.835 406 2HG LYS 50 3HG LYS 50 -25.456 84.592 14.694 407 1HD LYS 50 2HD LYS 50 -25.244 82.851 16.153 408 2HD LYS 50 3HD LYS 50 -24.405 81.831 14.983 409 1HE LYS 50 2HE LYS 50 -22.875 82.455 16.736 410 2HE LYS 50 3HE LYS 50 -22.400 83.257 15.240 411 1HZ LYS 50 1HZ LYS 50 -22.548 85.196 16.267 412 2HZ LYS 50 2HZ LYS 50 -22.974 84.423 17.709 413 3HZ LYS 50 3HZ LYS 50 -24.178 84.923 16.631 414 H ARG 51 H ARG 51 -26.978 84.650 11.420 415 HA ARG 51 HA ARG 51 -28.020 84.901 9.408 416 1HB ARG 51 2HB ARG 51 -26.931 82.354 9.540 417 2HB ARG 51 3HB ARG 51 -28.567 82.075 8.959 418 1HG ARG 51 2HG ARG 51 -26.729 84.095 7.711 419 2HG ARG 51 3HG ARG 51 -26.784 82.406 7.204 420 1HD ARG 51 2HD ARG 51 -29.317 83.976 7.367 421 2HD ARG 51 3HD ARG 51 -28.241 84.208 5.989 422 HE ARG 51 HE ARG 51 -28.841 81.451 6.526 423 1HH1 ARG 51 2HH1 ARG 51 -29.907 84.347 4.914 424 2HH1 ARG 51 1HH1 ARG 51 -30.851 83.499 3.735 425 1HH2 ARG 51 2HH2 ARG 51 -30.081 80.323 4.978 426 2HH2 ARG 51 1HH2 ARG 51 -30.950 81.211 3.773 427 H PHE 52 H PHE 52 -29.735 85.027 11.683 428 HA PHE 52 HA PHE 52 -32.060 83.548 11.576 429 1HB PHE 52 2HB PHE 52 -31.474 86.367 12.412 430 2HB PHE 52 3HB PHE 52 -33.137 85.786 12.398 431 HD1 PHE 52 1HD PHE 52 -30.319 86.200 14.378 432 HD2 PHE 52 2HD PHE 52 -33.423 83.403 13.573 433 HE1 PHE 52 1HE PHE 52 -29.976 85.187 16.594 434 HE2 PHE 52 2HE PHE 52 -33.087 82.386 15.787 435 HZ PHE 52 HZ PHE 52 -31.362 83.278 17.301 436 H GLY 53 H GLY 53 -30.992 86.121 9.477 437 1HA GLY 53 2HA GLY 53 -33.552 86.557 8.249 438 2HA GLY 53 3HA GLY 53 -32.003 87.163 7.679 439 H LEU 54 H LEU 54 -33.750 84.070 7.992 440 HA LEU 54 HA LEU 54 -32.323 82.859 5.838 441 1HB LEU 54 2HB LEU 54 -33.570 81.775 7.842 442 2HB LEU 54 3HB LEU 54 -34.989 81.908 6.805 443 HG LEU 54 HG LEU 54 -33.207 80.678 5.145 444 1HD1 LEU 54 1HD1 LEU 54 -31.472 80.203 6.577 445 2HD1 LEU 54 2HD1 LEU 54 -32.448 78.741 6.715 446 3HD1 LEU 54 3HD1 LEU 54 -32.534 79.979 7.967 447 1HD2 LEU 54 1HD2 LEU 54 -35.427 79.790 6.900 448 2HD2 LEU 54 2HD2 LEU 54 -34.449 78.545 6.124 449 3HD2 LEU 54 3HD2 LEU 54 -35.285 79.750 5.143 450 H VAL 55 H VAL 55 -35.328 84.623 6.139 451 HA VAL 55 HA VAL 55 -36.809 85.422 4.606 452 HB VAL 55 HB VAL 55 -34.623 84.955 2.576 453 1HG1 VAL 55 1HG1 VAL 55 -35.707 86.499 1.214 454 2HG1 VAL 55 2HG1 VAL 55 -37.034 85.550 1.887 455 3HG1 VAL 55 3HG1 VAL 55 -36.667 87.146 2.544 456 1HG2 VAL 55 1HG2 VAL 55 -33.786 86.211 4.522 457 2HG2 VAL 55 2HG2 VAL 55 -33.845 87.201 3.062 458 3HG2 VAL 55 3HG2 VAL 55 -35.084 87.385 4.304 459 HA PRO 56 HA PRO 56 -37.812 81.083 3.268 460 1HB PRO 56 2HB PRO 56 -40.235 81.014 4.489 461 2HB PRO 56 3HB PRO 56 -38.732 80.577 5.311 462 1HG PRO 56 2HG PRO 56 -40.264 83.148 5.403 463 2HG PRO 56 3HG PRO 56 -39.498 82.254 6.729 464 1HD PRO 56 2HD PRO 56 -38.353 84.423 5.582 465 2HD PRO 56 3HD PRO 56 -37.402 83.076 6.239 466 H GLY 57 H GLY 57 -38.431 81.091 1.198 467 1HA GLY 57 2HA GLY 57 -41.042 81.992 0.448 468 2HA GLY 57 3HA GLY 57 -39.783 83.050 -0.171 469 H GLN 58 H GLN 58 -39.084 82.593 -2.141 470 HA GLN 58 HA GLN 58 -38.807 79.821 -2.986 471 1HB GLN 58 2HB GLN 58 -41.120 80.541 -3.621 472 2HB GLN 58 3HB GLN 58 -40.404 81.793 -4.627 473 1HG GLN 58 2HG GLN 58 -39.473 80.223 -6.106 474 2HG GLN 58 3HG GLN 58 -39.753 78.888 -4.989 475 1HE2 GLN 58 1HE2 GLN 58 -40.772 80.172 -7.778 476 2HE2 GLN 58 2HE2 GLN 58 -42.420 79.650 -7.780 Start of MODEL 12 1 1H HIS 2 H HIS 2 11.523 19.900 27.687 2 HA HIS 2 HA HIS 2 12.540 21.151 25.220 3 1HB HIS 2 2HB HIS 2 13.802 20.967 27.951 4 2HB HIS 2 3HB HIS 2 14.750 21.290 26.502 5 HD1 HIS 2 1HD HIS 2 11.787 22.980 25.782 6 HD2 HIS 2 2HD HIS 2 14.891 23.713 28.444 7 HE1 HIS 2 1HE HIS 2 11.657 25.436 26.307 8 H LEU 3 H LEU 3 11.536 18.407 25.749 9 HA LEU 3 HA LEU 3 13.826 16.679 25.770 10 1HB LEU 3 2HB LEU 3 10.982 16.070 24.980 11 2HB LEU 3 3HB LEU 3 12.239 14.892 25.353 12 HG LEU 3 HG LEU 3 12.226 16.201 27.673 13 1HD1 LEU 3 1HD1 LEU 3 9.614 16.817 26.381 14 2HD1 LEU 3 2HD1 LEU 3 10.614 17.813 27.437 15 3HD1 LEU 3 3HD1 LEU 3 9.660 16.493 28.113 16 1HD2 LEU 3 1HD2 LEU 3 11.228 13.766 26.678 17 2HD2 LEU 3 2HD2 LEU 3 9.984 14.424 27.742 18 3HD2 LEU 3 3HD2 LEU 3 11.622 14.177 28.349 19 H MET 4 H MET 4 14.685 15.494 24.062 20 HA MET 4 HA MET 4 14.117 16.610 21.402 21 1HB MET 4 2HB MET 4 16.589 15.423 22.629 22 2HB MET 4 3HB MET 4 16.407 15.518 20.883 23 1HG MET 4 2HG MET 4 17.510 17.465 21.264 24 2HG MET 4 3HG MET 4 15.848 18.030 21.409 25 1HE MET 4 1HE MET 4 17.415 19.859 22.130 26 2HE MET 4 2HE MET 4 16.629 20.338 23.634 27 3HE MET 4 3HE MET 4 18.340 19.911 23.630 28 H TYR 5 H TYR 5 12.418 14.628 22.459 29 HA TYR 5 HA TYR 5 12.530 12.705 20.350 30 1HB TYR 5 2HB TYR 5 12.735 10.695 21.718 31 2HB TYR 5 3HB TYR 5 14.167 11.703 21.898 32 HD1 TYR 5 1HD TYR 5 14.198 13.297 23.952 33 HD2 TYR 5 2HD TYR 5 11.628 9.923 23.609 34 HE1 TYR 5 1HE TYR 5 13.913 13.273 26.396 35 HE2 TYR 5 2HE TYR 5 11.337 9.890 26.051 36 HH TYR 5 HH TYR 5 11.720 10.979 27.966 37 H THR 6 H THR 6 10.553 11.831 19.954 38 HA THR 6 HA THR 6 8.348 12.831 21.572 39 HB THR 6 HB THR 6 6.895 12.117 19.761 40 HG1 THR 6 1HG THR 6 7.816 10.262 19.001 41 1HG2 THR 6 1HG2 THR 6 9.376 13.504 18.738 42 2HG2 THR 6 2HG2 THR 6 7.987 14.278 19.502 43 3HG2 THR 6 3HG2 THR 6 7.808 13.494 17.933 44 H LEU 7 H LEU 7 6.859 11.568 22.626 45 HA LEU 7 HA LEU 7 7.716 8.849 23.221 46 1HB LEU 7 2HB LEU 7 5.534 10.540 24.432 47 2HB LEU 7 3HB LEU 7 6.025 8.946 25.002 48 HG LEU 7 HG LEU 7 7.623 11.499 25.108 49 1HD1 LEU 7 1HD1 LEU 7 6.424 9.707 27.209 50 2HD1 LEU 7 2HD1 LEU 7 5.999 11.381 26.855 51 3HD1 LEU 7 3HD1 LEU 7 7.574 10.999 27.549 52 1HD2 LEU 7 1HD2 LEU 7 9.443 10.225 24.977 53 2HD2 LEU 7 2HD2 LEU 7 8.500 8.736 25.052 54 3HD2 LEU 7 3HD2 LEU 7 8.974 9.556 26.540 55 H GLY 8 H GLY 8 6.250 7.054 23.177 56 1HA GLY 8 2HA GLY 8 4.394 7.236 20.923 57 2HA GLY 8 3HA GLY 8 5.023 5.756 21.631 58 HA PRO 9 HA PRO 9 0.629 6.562 23.075 59 1HB PRO 9 2HB PRO 9 -0.424 4.256 22.102 60 2HB PRO 9 3HB PRO 9 -0.341 5.747 21.157 61 1HG PRO 9 2HG PRO 9 1.469 3.364 21.096 62 2HG PRO 9 3HG PRO 9 0.817 4.309 19.744 63 1HD PRO 9 2HD PRO 9 3.339 4.642 20.672 64 2HD PRO 9 3HD PRO 9 2.389 5.977 19.987 65 H ASP 10 H ASP 10 3.110 4.292 23.477 66 HA ASP 10 HA ASP 10 1.688 2.924 25.656 67 1HB ASP 10 2HB ASP 10 2.767 1.521 23.890 68 2HB ASP 10 3HB ASP 10 4.327 2.172 24.384 69 H GLY 11 H GLY 11 4.151 5.215 24.982 70 1HA GLY 11 2HA GLY 11 4.799 6.669 26.834 71 2HA GLY 11 3HA GLY 11 4.871 5.234 27.846 72 H LYS 12 H LYS 12 6.098 4.409 24.893 73 HA LYS 12 HA LYS 12 8.782 4.315 25.901 74 1HB LYS 12 2HB LYS 12 7.557 2.649 24.316 75 2HB LYS 12 3HB LYS 12 8.043 3.762 23.044 76 1HG LYS 12 2HG LYS 12 10.327 3.376 23.430 77 2HG LYS 12 3HG LYS 12 10.016 2.600 24.984 78 1HD LYS 12 2HD LYS 12 8.819 1.410 22.528 79 2HD LYS 12 3HD LYS 12 10.545 1.181 22.824 80 1HE LYS 12 2HE LYS 12 10.093 0.169 24.961 81 2HE LYS 12 3HE LYS 12 8.375 0.534 24.815 82 1HZ LYS 12 1HZ LYS 12 9.402 -1.813 24.175 83 2HZ LYS 12 2HZ LYS 12 9.558 -1.048 22.676 84 3HZ LYS 12 3HZ LYS 12 8.036 -1.178 23.404 85 H ARG 13 H ARG 13 10.642 5.096 24.579 86 HA ARG 13 HA ARG 13 10.072 7.804 23.579 87 1HB ARG 13 2HB ARG 13 12.581 8.122 24.017 88 2HB ARG 13 3HB ARG 13 11.518 8.014 25.413 89 1HG ARG 13 2HG ARG 13 12.771 5.513 24.422 90 2HG ARG 13 3HG ARG 13 13.785 6.677 25.279 91 1HD ARG 13 2HD ARG 13 12.856 6.192 27.256 92 2HD ARG 13 3HD ARG 13 11.225 6.204 26.587 93 HE ARG 13 HE ARG 13 12.209 3.875 25.670 94 1HH1 ARG 13 2HH1 ARG 13 12.143 5.311 28.841 95 2HH1 ARG 13 1HH1 ARG 13 12.083 3.790 29.671 96 1HH2 ARG 13 2HH2 ARG 13 12.132 1.868 26.750 97 2HH2 ARG 13 1HH2 ARG 13 12.078 1.833 28.480 98 H ILE 14 H ILE 14 10.836 8.475 21.613 99 HA ILE 14 HA ILE 14 12.502 6.671 20.039 100 HB ILE 14 HB ILE 14 9.808 7.639 19.073 101 1HG1 ILE 14 2HG1 ILE 14 10.810 4.827 19.568 102 2HG1 ILE 14 3HG1 ILE 14 9.727 5.711 20.637 103 1HG2 ILE 14 1HG2 ILE 14 10.341 6.307 17.048 104 2HG2 ILE 14 2HG2 ILE 14 11.392 7.705 17.269 105 3HG2 ILE 14 3HG2 ILE 14 11.977 6.091 17.668 106 1HD1 ILE 14 1HD1 ILE 14 9.139 4.197 18.261 107 2HD1 ILE 14 2HD1 ILE 14 8.051 4.814 19.505 108 3HD1 ILE 14 3HD1 ILE 14 8.512 5.841 18.146 109 H TYR 15 H TYR 15 14.109 7.890 19.323 110 HA TYR 15 HA TYR 15 14.165 10.675 19.311 111 1HB TYR 15 2HB TYR 15 15.840 8.575 17.973 112 2HB TYR 15 3HB TYR 15 16.127 10.279 17.639 113 HD1 TYR 15 1HD TYR 15 17.468 11.542 19.071 114 HD2 TYR 15 2HD TYR 15 15.886 7.837 20.440 115 HE1 TYR 15 1HE TYR 15 18.841 11.714 21.104 116 HE2 TYR 15 2HE TYR 15 17.254 7.999 22.477 117 HH TYR 15 HH TYR 15 18.329 10.125 23.808 118 H THR 16 H THR 16 12.568 11.725 18.242 119 HA THR 16 HA THR 16 12.639 11.589 15.325 120 HB THR 16 HB THR 16 9.900 11.862 16.321 121 HG1 THR 16 1HG THR 16 9.781 9.501 16.638 122 1HG2 THR 16 1HG2 THR 16 9.795 9.888 14.537 123 2HG2 THR 16 2HG2 THR 16 11.371 10.547 14.101 124 3HG2 THR 16 3HG2 THR 16 9.942 11.578 14.057 125 H LEU 17 H LEU 17 13.423 13.490 17.508 126 HA LEU 17 HA LEU 17 11.687 15.680 17.616 127 1HB LEU 17 2HB LEU 17 13.890 15.141 18.907 128 2HB LEU 17 3HB LEU 17 14.651 16.048 17.602 129 HG LEU 17 HG LEU 17 14.273 17.431 19.586 130 1HD1 LEU 17 1HD1 LEU 17 13.816 19.253 18.354 131 2HD1 LEU 17 2HD1 LEU 17 12.304 18.588 17.736 132 3HD1 LEU 17 3HD1 LEU 17 13.838 18.115 17.007 133 1HD2 LEU 17 1HD2 LEU 17 11.329 17.342 19.122 134 2HD2 LEU 17 2HD2 LEU 17 12.230 17.778 20.575 135 3HD2 LEU 17 3HD2 LEU 17 12.086 16.084 20.100 136 H LYS 18 H LYS 18 11.033 17.037 16.096 137 HA LYS 18 HA LYS 18 10.853 18.117 14.097 138 1HB LYS 18 2HB LYS 18 13.038 19.064 15.330 139 2HB LYS 18 3HB LYS 18 13.802 18.420 13.883 140 1HG LYS 18 2HG LYS 18 12.339 19.785 12.491 141 2HG LYS 18 3HG LYS 18 11.549 20.420 13.936 142 1HD LYS 18 2HD LYS 18 13.146 22.041 13.225 143 2HD LYS 18 3HD LYS 18 13.792 21.267 14.675 144 1HE LYS 18 2HE LYS 18 15.540 21.510 13.019 145 2HE LYS 18 3HE LYS 18 15.167 19.803 13.253 146 1HZ LYS 18 1HZ LYS 18 13.932 21.378 11.076 147 2HZ LYS 18 2HZ LYS 18 14.054 19.698 11.219 148 3HZ LYS 18 3HZ LYS 18 15.432 20.621 10.882 149 H LYS 19 H LYS 19 10.976 15.320 13.874 150 HA LYS 19 HA LYS 19 12.785 14.257 12.079 151 1HB LYS 19 2HB LYS 19 10.912 12.701 11.425 152 2HB LYS 19 3HB LYS 19 11.235 12.801 13.150 153 1HG LYS 19 2HG LYS 19 9.265 13.866 13.602 154 2HG LYS 19 3HG LYS 19 9.156 14.582 11.992 155 1HD LYS 19 2HD LYS 19 8.959 11.617 12.312 156 2HD LYS 19 3HD LYS 19 7.558 12.631 12.672 157 1HE LYS 19 2HE LYS 19 7.776 13.630 10.407 158 2HE LYS 19 3HE LYS 19 9.074 12.487 10.067 159 1HZ LYS 19 1HZ LYS 19 7.148 11.533 9.180 160 2HZ LYS 19 2HZ LYS 19 6.209 11.913 10.534 161 3HZ LYS 19 3HZ LYS 19 7.390 10.706 10.636 162 H VAL 20 H VAL 20 10.098 16.402 11.495 163 HA VAL 20 HA VAL 20 9.918 16.024 8.689 164 HB VAL 20 HB VAL 20 9.183 18.521 10.218 165 1HG1 VAL 20 1HG1 VAL 20 8.777 19.206 8.118 166 2HG1 VAL 20 2HG1 VAL 20 8.783 17.563 7.473 167 3HG1 VAL 20 3HG1 VAL 20 7.335 18.200 8.255 168 1HG2 VAL 20 1HG2 VAL 20 7.816 17.159 11.370 169 2HG2 VAL 20 2HG2 VAL 20 6.851 17.158 9.894 170 3HG2 VAL 20 3HG2 VAL 20 7.982 15.843 10.209 171 H THR 21 H THR 21 11.179 16.738 7.101 172 HA THR 21 HA THR 21 13.442 18.444 7.750 173 HB THR 21 HB THR 21 12.749 17.054 5.154 174 HG1 THR 21 1HG THR 21 14.517 16.364 7.281 175 1HG2 THR 21 1HG2 THR 21 14.193 18.761 4.519 176 2HG2 THR 21 2HG2 THR 21 15.303 17.430 4.848 177 3HG2 THR 21 3HG2 THR 21 15.082 18.711 6.040 178 H GLU 22 H GLU 22 12.673 20.515 7.951 179 HA GLU 22 HA GLU 22 10.743 21.785 6.443 180 1HB GLU 22 2HB GLU 22 11.455 22.976 8.311 181 2HB GLU 22 3HB GLU 22 13.156 22.771 7.918 182 1HG GLU 22 2HG GLU 22 13.207 24.573 6.567 183 2HG GLU 22 3HG GLU 22 11.560 24.323 5.989 184 H SER 23 H SER 23 10.639 22.745 4.486 185 HA SER 23 HA SER 23 13.043 22.573 2.793 186 1HB SER 23 2HB SER 23 11.116 21.136 2.110 187 2HB SER 23 3HB SER 23 10.153 22.597 1.893 188 HG SER 23 HG SER 23 11.866 21.471 0.189 189 H GLY 24 H GLY 24 10.570 24.645 4.044 190 1HA GLY 24 2HA GLY 24 10.556 26.758 2.263 191 2HA GLY 24 3HA GLY 24 10.352 26.931 3.999 192 H GLU 25 H GLU 25 12.585 26.636 5.196 193 HA GLU 25 HA GLU 25 14.448 28.478 3.858 194 1HB GLU 25 2HB GLU 25 15.126 29.250 5.994 195 2HB GLU 25 3HB GLU 25 13.371 29.165 6.043 196 1HG GLU 25 2HG GLU 25 13.589 26.943 7.159 197 2HG GLU 25 3HG GLU 25 15.325 27.230 7.257 198 H ILE 26 H ILE 26 16.663 28.074 3.868 199 HA ILE 26 HA ILE 26 17.576 25.496 4.903 200 HB ILE 26 HB ILE 26 16.980 25.012 2.599 201 1HG1 ILE 26 2HG1 ILE 26 19.983 25.272 2.697 202 2HG1 ILE 26 3HG1 ILE 26 19.111 24.103 3.682 203 1HG2 ILE 26 1HG2 ILE 26 18.151 26.166 0.741 204 2HG2 ILE 26 2HG2 ILE 26 17.058 27.215 1.644 205 3HG2 ILE 26 3HG2 ILE 26 18.798 27.315 1.913 206 1HD1 ILE 26 1HD1 ILE 26 19.529 22.765 1.927 207 2HD1 ILE 26 2HD1 ILE 26 18.078 23.530 1.277 208 3HD1 ILE 26 3HD1 ILE 26 19.672 24.110 0.796 209 H THR 27 H THR 27 19.739 25.421 5.440 210 HA THR 27 HA THR 27 21.281 27.898 5.041 211 HB THR 27 HB THR 27 20.587 27.990 7.320 212 HG1 THR 27 1HG THR 27 22.791 28.467 7.039 213 1HG2 THR 27 1HG2 THR 27 20.918 25.096 7.183 214 2HG2 THR 27 2HG2 THR 27 19.907 26.069 8.252 215 3HG2 THR 27 3HG2 THR 27 21.604 25.799 8.647 216 H LYS 28 H LYS 28 23.323 27.640 4.353 217 HA LYS 28 HA LYS 28 24.824 25.240 4.836 218 1HB LYS 28 2HB LYS 28 23.314 24.638 2.908 219 2HB LYS 28 3HB LYS 28 24.131 25.879 1.967 220 1HG LYS 28 2HG LYS 28 26.079 24.680 1.813 221 2HG LYS 28 3HG LYS 28 25.760 23.767 3.290 222 1HD LYS 28 2HD LYS 28 23.923 23.405 0.976 223 2HD LYS 28 3HD LYS 28 25.523 22.661 0.902 224 1HE LYS 28 2HE LYS 28 24.926 21.795 3.283 225 2HE LYS 28 3HE LYS 28 23.267 22.133 2.795 226 1HZ LYS 28 1HZ LYS 28 25.153 20.379 1.315 227 2HZ LYS 28 2HZ LYS 28 23.534 20.665 0.918 228 3HZ LYS 28 3HZ LYS 28 23.921 19.837 2.341 229 H SER 29 H SER 29 27.028 25.402 4.118 230 HA SER 29 HA SER 29 27.978 28.122 4.167 231 1HB SER 29 2HB SER 29 29.334 25.431 4.166 232 2HB SER 29 3HB SER 29 30.255 26.927 4.007 233 HG SER 29 HG SER 29 29.918 26.054 6.208 234 H ALA 30 H ALA 30 29.914 28.617 2.646 235 HA ALA 30 HA ALA 30 29.091 27.935 -0.102 236 1HB ALA 30 1HB ALA 30 30.337 30.488 0.913 237 2HB ALA 30 2HB ALA 30 29.968 30.132 -0.774 238 3HB ALA 30 3HB ALA 30 28.662 30.267 0.404 239 H HIS 31 H HIS 31 30.769 27.814 -1.706 240 HA HIS 31 HA HIS 31 33.448 27.287 -0.607 241 1HB HIS 31 2HB HIS 31 31.786 25.579 -2.433 242 2HB HIS 31 3HB HIS 31 33.545 25.495 -2.494 243 HD1 HIS 31 1HD HIS 31 34.158 23.401 -1.329 244 HD2 HIS 31 2HD HIS 31 31.207 25.498 0.709 245 HE1 HIS 31 1HE HIS 31 33.773 22.120 0.800 246 HA PRO 32 HA PRO 32 33.609 30.323 -4.130 247 1HB PRO 32 2HB PRO 32 35.222 32.091 -2.849 248 2HB PRO 32 3HB PRO 32 33.461 32.119 -2.706 249 1HG PRO 32 2HG PRO 32 35.495 30.970 -0.835 250 2HG PRO 32 3HG PRO 32 34.047 31.925 -0.464 251 1HD PRO 32 2HD PRO 32 34.119 29.229 -0.213 252 2HD PRO 32 3HD PRO 32 32.645 30.107 -0.667 253 H ALA 33 H ALA 33 34.881 29.147 -5.498 254 HA ALA 33 HA ALA 33 37.742 29.491 -5.244 255 1HB ALA 33 1HB ALA 33 38.006 26.946 -5.749 256 2HB ALA 33 2HB ALA 33 37.797 27.499 -4.087 257 3HB ALA 33 3HB ALA 33 36.427 26.825 -4.970 258 H ARG 34 H ARG 34 38.776 29.501 -7.197 259 HA ARG 34 HA ARG 34 37.698 28.340 -9.560 260 1HB ARG 34 2HB ARG 34 36.863 31.029 -8.875 261 2HB ARG 34 3HB ARG 34 37.745 31.008 -10.397 262 1HG ARG 34 2HG ARG 34 35.382 29.254 -9.762 263 2HG ARG 34 3HG ARG 34 35.305 30.767 -10.669 264 1HD ARG 34 2HD ARG 34 36.554 29.886 -12.453 265 2HD ARG 34 3HD ARG 34 37.105 28.512 -11.496 266 HE ARG 34 HE ARG 34 34.303 28.436 -11.702 267 1HH1 ARG 34 2HH1 ARG 34 37.158 28.002 -13.646 268 2HH1 ARG 34 1HH1 ARG 34 36.404 26.887 -14.736 269 1HH2 ARG 34 2HH2 ARG 34 33.299 26.969 -13.131 270 2HH2 ARG 34 1HH2 ARG 34 34.209 26.301 -14.443 271 H PHE 35 H PHE 35 38.963 29.091 -11.535 272 HA PHE 35 HA PHE 35 41.753 29.537 -10.718 273 1HB PHE 35 2HB PHE 35 40.818 28.376 -13.343 274 2HB PHE 35 3HB PHE 35 42.438 28.323 -12.655 275 HD1 PHE 35 1HD PHE 35 39.281 26.676 -12.923 276 HD2 PHE 35 2HD PHE 35 42.794 26.975 -10.539 277 HE1 PHE 35 1HE PHE 35 38.767 24.498 -11.900 278 HE2 PHE 35 2HE PHE 35 42.286 24.797 -9.512 279 HZ PHE 35 HZ PHE 35 40.272 23.555 -10.193 280 H SER 36 H SER 36 43.093 30.530 -12.592 281 HA SER 36 HA SER 36 41.603 32.840 -13.657 282 1HB SER 36 2HB SER 36 44.439 32.702 -12.614 283 2HB SER 36 3HB SER 36 43.780 34.089 -13.481 284 HG SER 36 HG SER 36 43.062 34.702 -11.613 285 HA PRO 37 HA PRO 37 43.451 30.407 -17.181 286 1HB PRO 37 2HB PRO 37 41.174 30.343 -18.657 287 2HB PRO 37 3HB PRO 37 41.558 29.129 -17.431 288 1HG PRO 37 2HG PRO 37 39.761 31.515 -17.236 289 2HG PRO 37 3HG PRO 37 39.499 29.866 -16.640 290 1HD PRO 37 2HD PRO 37 40.295 31.888 -15.025 291 2HD PRO 37 3HD PRO 37 40.791 30.204 -14.761 292 H ASP 38 H ASP 38 41.774 33.389 -16.759 293 HA ASP 38 HA ASP 38 42.397 34.328 -19.446 294 1HB ASP 38 2HB ASP 38 40.213 34.852 -18.252 295 2HB ASP 38 3HB ASP 38 41.146 35.920 -17.208 296 H ASP 39 H ASP 39 44.306 33.792 -17.032 297 HA ASP 39 HA ASP 39 45.482 36.300 -16.410 298 1HB ASP 39 2HB ASP 39 45.709 34.127 -15.100 299 2HB ASP 39 3HB ASP 39 46.880 33.628 -16.317 300 H LYS 40 H LYS 40 45.735 34.161 -19.094 301 HA LYS 40 HA LYS 40 48.285 35.142 -20.010 302 1HB LYS 40 2HB LYS 40 47.039 32.845 -20.475 303 2HB LYS 40 3HB LYS 40 46.385 33.745 -21.837 304 1HG LYS 40 2HG LYS 40 48.216 32.923 -22.862 305 2HG LYS 40 3HG LYS 40 48.972 34.343 -22.137 306 1HD LYS 40 2HD LYS 40 48.871 31.685 -20.735 307 2HD LYS 40 3HD LYS 40 50.174 32.116 -21.845 308 1HE LYS 40 2HE LYS 40 51.114 32.836 -19.903 309 2HE LYS 40 3HE LYS 40 50.223 34.296 -20.330 310 1HZ LYS 40 1HZ LYS 40 49.835 32.492 -18.123 311 2HZ LYS 40 2HZ LYS 40 48.401 32.863 -18.941 312 3HZ LYS 40 3HZ LYS 40 49.353 34.105 -18.300 313 H TYR 41 H TYR 41 44.906 35.846 -20.588 314 HA TYR 41 HA TYR 41 45.115 37.320 -22.947 315 1HB TYR 41 2HB TYR 41 43.173 37.179 -20.705 316 2HB TYR 41 3HB TYR 41 43.084 38.598 -21.742 317 HD1 TYR 41 1HD TYR 41 41.508 38.459 -23.409 318 HD2 TYR 41 2HD TYR 41 43.537 34.912 -22.223 319 HE1 TYR 41 1HE TYR 41 40.217 37.174 -25.063 320 HE2 TYR 41 2HE TYR 41 42.253 33.617 -23.874 321 HH TYR 41 HH TYR 41 40.929 34.549 -26.315 322 H SER 42 H SER 42 45.993 38.121 -19.693 323 HA SER 42 HA SER 42 46.314 40.950 -20.357 324 1HB SER 42 2HB SER 42 45.265 40.249 -18.180 325 2HB SER 42 3HB SER 42 46.830 39.586 -17.706 326 HG SER 42 HG SER 42 47.445 41.525 -17.217 327 H ARG 43 H ARG 43 48.006 38.781 -21.478 328 HA ARG 43 HA ARG 43 50.554 38.821 -20.259 329 1HB ARG 43 2HB ARG 43 51.371 37.887 -22.367 330 2HB ARG 43 3HB ARG 43 49.887 37.092 -21.861 331 1HG ARG 43 2HG ARG 43 48.617 38.433 -23.455 332 2HG ARG 43 3HG ARG 43 50.102 39.242 -23.957 333 1HD ARG 43 2HD ARG 43 49.593 36.277 -24.165 334 2HD ARG 43 3HD ARG 43 49.413 37.425 -25.490 335 HE ARG 43 HE ARG 43 51.862 36.342 -24.461 336 1HH1 ARG 43 2HH1 ARG 43 50.414 39.035 -26.124 337 2HH1 ARG 43 1HH1 ARG 43 51.884 39.507 -26.912 338 1HH2 ARG 43 2HH2 ARG 43 53.802 36.953 -25.491 339 2HH2 ARG 43 1HH2 ARG 43 53.811 38.321 -26.552 340 H GLN 44 H GLN 44 48.925 41.008 -22.405 341 HA GLN 44 HA GLN 44 51.069 42.357 -23.551 342 1HB GLN 44 2HB GLN 44 48.465 42.610 -23.846 343 2HB GLN 44 3HB GLN 44 48.661 43.883 -22.649 344 1HG GLN 44 2HG GLN 44 50.395 43.832 -25.078 345 2HG GLN 44 3HG GLN 44 48.750 44.458 -25.171 346 1HE2 GLN 44 1HE2 GLN 44 51.864 45.327 -24.768 347 2HE2 GLN 44 2HE2 GLN 44 51.657 46.803 -23.895 348 H ARG 45 H ARG 45 49.877 42.410 -20.303 349 HA ARG 45 HA ARG 45 50.739 44.856 -19.362 350 1HB ARG 45 2HB ARG 45 49.473 43.119 -18.071 351 2HB ARG 45 3HB ARG 45 50.984 42.245 -17.865 352 1HG ARG 45 2HG ARG 45 51.857 44.448 -16.847 353 2HG ARG 45 3HG ARG 45 50.149 44.864 -16.695 354 1HD ARG 45 2HD ARG 45 49.765 43.289 -15.098 355 2HD ARG 45 3HD ARG 45 50.985 42.188 -15.738 356 HE ARG 45 HE ARG 45 52.546 43.166 -14.371 357 1HH1 ARG 45 2HH1 ARG 45 49.689 45.154 -14.477 358 2HH1 ARG 45 1HH1 ARG 45 50.213 46.203 -13.202 359 1HH2 ARG 45 2HH2 ARG 45 53.247 44.541 -12.691 360 2HH2 ARG 45 1HH2 ARG 45 52.238 45.854 -12.187 361 H VAL 46 H VAL 46 52.612 42.043 -20.216 362 HA VAL 46 HA VAL 46 54.992 42.483 -18.895 363 HB VAL 46 HB VAL 46 56.115 41.313 -20.730 364 1HG1 VAL 46 1HG1 VAL 46 54.255 39.392 -20.875 365 2HG1 VAL 46 2HG1 VAL 46 55.223 39.688 -19.429 366 3HG1 VAL 46 3HG1 VAL 46 53.588 40.340 -19.545 367 1HG2 VAL 46 1HG2 VAL 46 53.848 42.322 -22.233 368 2HG2 VAL 46 2HG2 VAL 46 55.409 41.734 -22.804 369 3HG2 VAL 46 3HG2 VAL 46 54.101 40.595 -22.486 370 H THR 47 H THR 47 53.643 44.193 -21.618 371 HA THR 47 HA THR 47 54.370 45.965 -22.862 372 HB THR 47 HB THR 47 55.945 46.816 -20.442 373 HG1 THR 47 1HG THR 47 53.122 46.952 -20.831 374 1HG2 THR 47 1HG2 THR 47 56.224 48.462 -22.015 375 2HG2 THR 47 2HG2 THR 47 54.731 49.020 -21.259 376 3HG2 THR 47 3HG2 THR 47 54.671 48.139 -22.786 377 H LEU 48 H LEU 48 56.017 43.580 -22.989 378 HA LEU 48 HA LEU 48 58.751 44.063 -22.842 379 1HB LEU 48 2HB LEU 48 57.061 42.249 -24.510 380 2HB LEU 48 3HB LEU 48 58.795 42.356 -24.810 381 HG LEU 48 HG LEU 48 57.629 41.640 -22.126 382 1HD1 LEU 48 1HD1 LEU 48 58.624 39.758 -24.258 383 2HD1 LEU 48 2HD1 LEU 48 56.928 40.017 -23.853 384 3HD1 LEU 48 3HD1 LEU 48 58.024 39.326 -22.656 385 1HD2 LEU 48 1HD2 LEU 48 59.969 42.518 -22.259 386 2HD2 LEU 48 2HD2 LEU 48 60.369 41.129 -23.272 387 3HD2 LEU 48 3HD2 LEU 48 59.831 40.884 -21.609 388 H LYS 49 H LYS 49 59.796 45.718 -23.727 389 HA LYS 49 HA LYS 49 58.942 46.753 -26.325 390 1HB LYS 49 2HB LYS 49 60.691 47.816 -24.126 391 2HB LYS 49 3HB LYS 49 60.750 48.521 -25.736 392 1HG LYS 49 2HG LYS 49 58.183 48.721 -25.479 393 2HG LYS 49 3HG LYS 49 58.512 48.518 -23.756 394 1HD LYS 49 2HD LYS 49 60.194 50.405 -24.007 395 2HD LYS 49 3HD LYS 49 59.481 50.695 -25.595 396 1HE LYS 49 2HE LYS 49 58.445 52.171 -24.017 397 2HE LYS 49 3HE LYS 49 57.269 50.946 -24.488 398 1HZ LYS 49 1HZ LYS 49 58.098 51.603 -21.922 399 2HZ LYS 49 2HZ LYS 49 58.708 50.057 -22.234 400 3HZ LYS 49 3HZ LYS 49 57.049 50.356 -22.380 401 H LYS 50 H LYS 50 60.397 44.193 -25.974 402 HA LYS 50 HA LYS 50 62.925 44.810 -27.334 403 1HB LYS 50 2HB LYS 50 62.662 43.246 -25.231 404 2HB LYS 50 3HB LYS 50 62.189 42.055 -26.435 405 1HG LYS 50 2HG LYS 50 64.457 41.686 -26.200 406 2HG LYS 50 3HG LYS 50 64.375 42.719 -27.628 407 1HD LYS 50 2HD LYS 50 64.702 44.669 -25.988 408 2HD LYS 50 3HD LYS 50 65.205 43.435 -24.832 409 1HE LYS 50 2HE LYS 50 66.869 42.658 -26.553 410 2HE LYS 50 3HE LYS 50 66.459 44.093 -27.491 411 1HZ LYS 50 1HZ LYS 50 67.101 45.431 -25.523 412 2HZ LYS 50 2HZ LYS 50 68.386 44.564 -26.199 413 3HZ LYS 50 3HZ LYS 50 67.654 44.017 -24.775 414 H ARG 51 H ARG 51 60.218 44.854 -28.567 415 HA ARG 51 HA ARG 51 60.130 42.557 -30.308 416 1HB ARG 51 2HB ARG 51 58.083 43.754 -29.529 417 2HB ARG 51 3HB ARG 51 58.574 45.141 -30.493 418 1HG ARG 51 2HG ARG 51 58.354 43.875 -32.523 419 2HG ARG 51 3HG ARG 51 58.028 42.400 -31.611 420 1HD ARG 51 2HD ARG 51 55.973 43.365 -30.746 421 2HD ARG 51 3HD ARG 51 56.311 44.880 -31.584 422 HE ARG 51 HE ARG 51 56.299 43.089 -33.593 423 1HH1 ARG 51 2HH1 ARG 51 54.069 43.739 -31.001 424 2HH1 ARG 51 1HH1 ARG 51 52.674 43.245 -31.903 425 1HH2 ARG 51 2HH2 ARG 51 54.471 42.437 -34.791 426 2HH2 ARG 51 1HH2 ARG 51 52.904 42.505 -34.059 427 H PHE 52 H PHE 52 60.236 42.704 -32.641 428 HA PHE 52 HA PHE 52 62.575 43.807 -33.607 429 1HB PHE 52 2HB PHE 52 60.101 43.251 -35.256 430 2HB PHE 52 3HB PHE 52 61.766 43.287 -35.829 431 HD1 PHE 52 1HD PHE 52 63.381 41.611 -34.583 432 HD2 PHE 52 2HD PHE 52 59.148 41.218 -34.794 433 HE1 PHE 52 1HE PHE 52 63.586 39.201 -34.137 434 HE2 PHE 52 2HE PHE 52 59.346 38.806 -34.346 435 HZ PHE 52 HZ PHE 52 61.568 37.795 -34.017 436 H GLY 53 H GLY 53 59.338 44.961 -34.575 437 1HA GLY 53 2HA GLY 53 58.625 47.040 -35.245 438 2HA GLY 53 3HA GLY 53 59.635 47.634 -33.935 439 H LEU 54 H LEU 54 60.999 45.883 -36.620 440 HA LEU 54 HA LEU 54 62.821 47.975 -37.213 441 1HB LEU 54 2HB LEU 54 62.188 45.301 -38.326 442 2HB LEU 54 3HB LEU 54 63.058 46.425 -39.369 443 HG LEU 54 HG LEU 54 64.717 46.640 -37.422 444 1HD1 LEU 54 1HD1 LEU 54 62.962 45.300 -35.969 445 2HD1 LEU 54 2HD1 LEU 54 64.699 45.151 -35.699 446 3HD1 LEU 54 3HD1 LEU 54 63.842 43.918 -36.624 447 1HD2 LEU 54 1HD2 LEU 54 65.414 45.571 -39.405 448 2HD2 LEU 54 2HD2 LEU 54 64.395 44.165 -39.099 449 3HD2 LEU 54 3HD2 LEU 54 65.816 44.460 -38.096 450 H VAL 55 H VAL 55 63.009 49.222 -39.121 451 HA VAL 55 HA VAL 55 60.626 49.401 -40.817 452 HB VAL 55 HB VAL 55 60.961 51.973 -40.682 453 1HG1 VAL 55 1HG1 VAL 55 59.759 51.106 -38.151 454 2HG1 VAL 55 2HG1 VAL 55 59.055 52.008 -39.495 455 3HG1 VAL 55 3HG1 VAL 55 59.175 50.251 -39.577 456 1HG2 VAL 55 1HG2 VAL 55 61.868 51.359 -37.897 457 2HG2 VAL 55 2HG2 VAL 55 63.043 51.565 -39.196 458 3HG2 VAL 55 3HG2 VAL 55 61.944 52.881 -38.785 459 HA PRO 56 HA PRO 56 63.457 49.931 -44.129 460 1HB PRO 56 2HB PRO 56 62.080 51.595 -45.775 461 2HB PRO 56 3HB PRO 56 61.645 49.898 -45.541 462 1HG PRO 56 2HG PRO 56 60.460 52.347 -44.292 463 2HG PRO 56 3HG PRO 56 59.641 50.916 -44.945 464 1HD PRO 56 2HD PRO 56 60.049 51.277 -42.293 465 2HD PRO 56 3HD PRO 56 60.033 49.669 -43.046 466 H GLY 57 H GLY 57 65.208 51.153 -44.545 467 1HA GLY 57 2HA GLY 57 65.239 53.885 -43.454 468 2HA GLY 57 3HA GLY 57 66.655 52.885 -43.739 469 H GLN 58 H GLN 58 67.871 53.701 -45.299 470 HA GLN 58 HA GLN 58 66.713 55.382 -47.351 471 1HB GLN 58 2HB GLN 58 68.960 55.910 -47.973 472 2HB GLN 58 3HB GLN 58 68.887 55.906 -46.215 473 1HG GLN 58 2HG GLN 58 69.846 53.640 -46.204 474 2HG GLN 58 3HG GLN 58 69.977 53.711 -47.961 475 1HE2 GLN 58 1HE2 GLN 58 72.241 53.203 -46.839 476 2HE2 GLN 58 2HE2 GLN 58 73.277 54.583 -46.738 Start of MODEL 13 1 1H HIS 2 H HIS 2 15.338 20.674 24.346 2 HA HIS 2 HA HIS 2 15.309 20.294 27.253 3 1HB HIS 2 2HB HIS 2 13.179 21.524 25.579 4 2HB HIS 2 3HB HIS 2 12.671 20.436 26.866 5 HD1 HIS 2 1HD HIS 2 15.600 22.781 27.184 6 HD2 HIS 2 2HD HIS 2 11.695 22.395 28.547 7 HE1 HIS 2 1HE HIS 2 15.334 24.535 28.967 8 H LEU 3 H LEU 3 13.888 19.327 24.145 9 HA LEU 3 HA LEU 3 14.203 16.537 24.883 10 1HB LEU 3 2HB LEU 3 11.591 17.909 24.629 11 2HB LEU 3 3HB LEU 3 11.730 16.313 23.894 12 HG LEU 3 HG LEU 3 12.244 16.945 26.800 13 1HD1 LEU 3 1HD1 LEU 3 9.823 16.967 25.688 14 2HD1 LEU 3 2HD1 LEU 3 10.124 16.325 27.302 15 3HD1 LEU 3 3HD1 LEU 3 9.999 15.228 25.927 16 1HD2 LEU 3 1HD2 LEU 3 13.398 15.032 26.702 17 2HD2 LEU 3 2HD2 LEU 3 12.754 14.613 25.114 18 3HD2 LEU 3 3HD2 LEU 3 11.822 14.253 26.568 19 H MET 4 H MET 4 14.794 15.341 23.179 20 HA MET 4 HA MET 4 14.346 16.460 20.489 21 1HB MET 4 2HB MET 4 16.774 16.324 21.603 22 2HB MET 4 3HB MET 4 16.688 14.690 20.963 23 1HG MET 4 2HG MET 4 16.292 15.561 18.733 24 2HG MET 4 3HG MET 4 16.311 17.208 19.359 25 1HE MET 4 1HE MET 4 17.870 18.542 19.622 26 2HE MET 4 2HE MET 4 19.524 18.230 20.149 27 3HE MET 4 3HE MET 4 19.164 18.405 18.431 28 H TYR 5 H TYR 5 12.810 14.475 22.086 29 HA TYR 5 HA TYR 5 12.514 12.515 19.993 30 1HB TYR 5 2HB TYR 5 12.741 10.576 21.570 31 2HB TYR 5 3HB TYR 5 14.254 11.402 21.216 32 HD1 TYR 5 1HD TYR 5 15.505 12.472 22.937 33 HD2 TYR 5 2HD TYR 5 11.633 10.917 23.771 34 HE1 TYR 5 1HE TYR 5 15.911 12.769 25.344 35 HE2 TYR 5 2HE TYR 5 12.028 11.211 26.181 36 HH TYR 5 HH TYR 5 13.395 12.046 27.734 37 H THR 6 H THR 6 10.460 11.795 19.859 38 HA THR 6 HA THR 6 8.548 12.870 21.777 39 HB THR 6 HB THR 6 6.830 12.094 20.146 40 HG1 THR 6 1HG THR 6 7.937 11.599 17.987 41 1HG2 THR 6 1HG2 THR 6 7.183 13.839 18.596 42 2HG2 THR 6 2HG2 THR 6 8.937 13.720 18.742 43 3HG2 THR 6 3HG2 THR 6 7.982 14.365 20.076 44 H LEU 7 H LEU 7 6.728 11.505 22.496 45 HA LEU 7 HA LEU 7 7.695 8.826 23.207 46 1HB LEU 7 2HB LEU 7 5.494 10.465 24.457 47 2HB LEU 7 3HB LEU 7 6.087 8.908 25.035 48 HG LEU 7 HG LEU 7 7.496 11.567 25.100 49 1HD1 LEU 7 1HD1 LEU 7 5.830 10.293 26.909 50 2HD1 LEU 7 2HD1 LEU 7 6.942 11.618 27.251 51 3HD1 LEU 7 3HD1 LEU 7 7.456 9.950 27.499 52 1HD2 LEU 7 1HD2 LEU 7 9.389 10.425 24.748 53 2HD2 LEU 7 2HD2 LEU 7 8.606 8.864 24.993 54 3HD2 LEU 7 3HD2 LEU 7 9.147 9.808 26.382 55 H GLY 8 H GLY 8 6.146 7.058 23.270 56 1HA GLY 8 2HA GLY 8 4.262 7.258 21.026 57 2HA GLY 8 3HA GLY 8 4.931 5.769 21.676 58 HA PRO 9 HA PRO 9 0.581 6.521 23.295 59 1HB PRO 9 2HB PRO 9 -0.518 4.265 22.258 60 2HB PRO 9 3HB PRO 9 -0.464 5.799 21.380 61 1HG PRO 9 2HG PRO 9 1.332 3.415 21.143 62 2HG PRO 9 3HG PRO 9 0.635 4.422 19.861 63 1HD PRO 9 2HD PRO 9 3.191 4.705 20.708 64 2HD PRO 9 3HD PRO 9 2.223 6.073 20.121 65 H ASP 10 H ASP 10 3.067 4.232 23.505 66 HA ASP 10 HA ASP 10 1.718 2.766 25.667 67 1HB ASP 10 2HB ASP 10 3.016 1.693 23.598 68 2HB ASP 10 3HB ASP 10 4.398 1.932 24.665 69 H GLY 11 H GLY 11 4.109 5.124 25.035 70 1HA GLY 11 2HA GLY 11 4.830 6.474 26.932 71 2HA GLY 11 3HA GLY 11 4.958 4.987 27.858 72 H LYS 12 H LYS 12 6.069 4.354 24.809 73 HA LYS 12 HA LYS 12 8.827 4.431 25.721 74 1HB LYS 12 2HB LYS 12 7.425 2.619 24.232 75 2HB LYS 12 3HB LYS 12 8.278 3.510 22.978 76 1HG LYS 12 2HG LYS 12 10.388 2.946 23.881 77 2HG LYS 12 3HG LYS 12 9.665 2.342 25.373 78 1HD LYS 12 2HD LYS 12 10.303 0.464 24.020 79 2HD LYS 12 3HD LYS 12 8.542 0.567 24.035 80 1HE LYS 12 2HE LYS 12 9.146 0.134 21.796 81 2HE LYS 12 3HE LYS 12 8.732 1.847 21.860 82 1HZ LYS 12 1HZ LYS 12 11.087 0.720 20.944 83 2HZ LYS 12 2HZ LYS 12 11.485 1.489 22.396 84 3HZ LYS 12 3HZ LYS 12 10.749 2.365 21.149 85 H ARG 13 H ARG 13 10.330 5.841 25.064 86 HA ARG 13 HA ARG 13 9.529 8.066 23.418 87 1HB ARG 13 2HB ARG 13 11.771 8.953 23.923 88 2HB ARG 13 3HB ARG 13 10.914 8.464 25.378 89 1HG ARG 13 2HG ARG 13 12.186 6.305 25.287 90 2HG ARG 13 3HG ARG 13 13.154 7.016 23.994 91 1HD ARG 13 2HD ARG 13 14.217 8.462 25.397 92 2HD ARG 13 3HD ARG 13 12.837 8.590 26.486 93 HE ARG 13 HE ARG 13 13.660 6.820 27.693 94 1HH1 ARG 13 2HH1 ARG 13 15.347 7.040 24.656 95 2HH1 ARG 13 1HH1 ARG 13 16.545 5.865 25.087 96 1HH2 ARG 13 2HH2 ARG 13 15.231 5.271 28.272 97 2HH2 ARG 13 1HH2 ARG 13 16.478 4.858 27.144 98 H ILE 14 H ILE 14 10.880 8.835 21.611 99 HA ILE 14 HA ILE 14 12.440 6.829 20.207 100 HB ILE 14 HB ILE 14 9.906 7.971 19.025 101 1HG1 ILE 14 2HG1 ILE 14 10.771 5.126 19.590 102 2HG1 ILE 14 3HG1 ILE 14 9.556 6.032 20.484 103 1HG2 ILE 14 1HG2 ILE 14 10.518 6.712 16.995 104 2HG2 ILE 14 2HG2 ILE 14 11.655 8.009 17.359 105 3HG2 ILE 14 3HG2 ILE 14 12.080 6.337 17.724 106 1HD1 ILE 14 1HD1 ILE 14 8.373 6.230 18.195 107 2HD1 ILE 14 2HD1 ILE 14 9.409 4.878 17.738 108 3HD1 ILE 14 3HD1 ILE 14 8.286 4.713 19.089 109 H TYR 15 H TYR 15 14.160 7.808 19.387 110 HA TYR 15 HA TYR 15 14.582 10.564 19.453 111 1HB TYR 15 2HB TYR 15 15.980 8.477 17.767 112 2HB TYR 15 3HB TYR 15 16.577 10.107 18.061 113 HD1 TYR 15 1HD TYR 15 17.445 7.025 18.825 114 HD2 TYR 15 2HD TYR 15 16.107 10.484 20.909 115 HE1 TYR 15 1HE TYR 15 18.583 6.234 20.856 116 HE2 TYR 15 2HE TYR 15 17.243 9.703 22.945 117 HH TYR 15 HH TYR 15 18.612 6.522 23.181 118 H THR 16 H THR 16 15.537 11.541 17.188 119 HA THR 16 HA THR 16 15.022 12.492 15.182 120 HB THR 16 HB THR 16 12.967 10.345 14.703 121 HG1 THR 16 1HG THR 16 15.727 10.080 14.092 122 1HG2 THR 16 1HG2 THR 16 14.390 10.761 12.397 123 2HG2 THR 16 2HG2 THR 16 14.363 12.371 13.116 124 3HG2 THR 16 3HG2 THR 16 12.851 11.522 12.794 125 H LEU 17 H LEU 17 13.794 13.532 17.401 126 HA LEU 17 HA LEU 17 11.048 13.742 17.455 127 1HB LEU 17 2HB LEU 17 12.180 14.744 19.220 128 2HB LEU 17 3HB LEU 17 13.243 15.652 18.147 129 HG LEU 17 HG LEU 17 11.441 17.173 17.594 130 1HD1 LEU 17 1HD1 LEU 17 9.602 15.541 17.734 131 2HD1 LEU 17 2HD1 LEU 17 9.262 17.022 18.626 132 3HD1 LEU 17 3HD1 LEU 17 9.740 15.562 19.491 133 1HD2 LEU 17 1HD2 LEU 17 12.769 17.736 19.525 134 2HD2 LEU 17 2HD2 LEU 17 11.764 16.721 20.558 135 3HD2 LEU 17 3HD2 LEU 17 11.088 18.178 19.827 136 H LYS 18 H LYS 18 13.270 15.973 15.775 137 HA LYS 18 HA LYS 18 11.362 17.526 14.500 138 1HB LYS 18 2HB LYS 18 13.991 17.682 14.604 139 2HB LYS 18 3HB LYS 18 13.894 16.836 13.065 140 1HG LYS 18 2HG LYS 18 12.251 18.692 12.387 141 2HG LYS 18 3HG LYS 18 12.899 19.566 13.776 142 1HD LYS 18 2HD LYS 18 14.761 18.362 11.771 143 2HD LYS 18 3HD LYS 18 13.963 19.896 11.418 144 1HE LYS 18 2HE LYS 18 15.608 19.337 13.883 145 2HE LYS 18 3HE LYS 18 16.206 20.159 12.443 146 1HZ LYS 18 1HZ LYS 18 14.002 21.575 12.999 147 2HZ LYS 18 2HZ LYS 18 15.553 21.987 13.530 148 3HZ LYS 18 3HZ LYS 18 14.503 21.150 14.558 149 H LYS 19 H LYS 19 9.696 16.705 13.393 150 HA LYS 19 HA LYS 19 9.560 14.293 12.054 151 1HB LYS 19 2HB LYS 19 7.701 16.005 12.638 152 2HB LYS 19 3HB LYS 19 8.066 16.704 11.065 153 1HG LYS 19 2HG LYS 19 6.264 15.253 10.703 154 2HG LYS 19 3HG LYS 19 7.683 14.390 10.106 155 1HD LYS 19 2HD LYS 19 7.799 13.215 12.307 156 2HD LYS 19 3HD LYS 19 6.269 13.981 12.740 157 1HE LYS 19 2HE LYS 19 6.561 12.364 10.229 158 2HE LYS 19 3HE LYS 19 6.209 11.599 11.778 159 1HZ LYS 19 1HZ LYS 19 4.136 11.975 10.823 160 2HZ LYS 19 2HZ LYS 19 4.552 13.514 10.257 161 3HZ LYS 19 3HZ LYS 19 4.304 13.261 11.910 162 H VAL 20 H VAL 20 10.122 17.501 10.600 163 HA VAL 20 HA VAL 20 11.594 16.159 8.433 164 HB VAL 20 HB VAL 20 9.347 16.829 7.629 165 1HG1 VAL 20 1HG1 VAL 20 9.529 18.966 9.209 166 2HG1 VAL 20 2HG1 VAL 20 10.089 19.697 7.704 167 3HG1 VAL 20 3HG1 VAL 20 8.501 18.933 7.777 168 1HG2 VAL 20 1HG2 VAL 20 10.097 17.594 5.581 169 2HG2 VAL 20 2HG2 VAL 20 11.320 18.641 6.300 170 3HG2 VAL 20 3HG2 VAL 20 11.564 16.895 6.268 171 H THR 21 H THR 21 13.417 17.180 7.710 172 HA THR 21 HA THR 21 14.603 19.110 9.452 173 HB THR 21 HB THR 21 15.642 18.231 6.755 174 HG1 THR 21 1HG THR 21 16.760 16.619 7.992 175 1HG2 THR 21 1HG2 THR 21 16.679 20.217 7.958 176 2HG2 THR 21 2HG2 THR 21 17.772 18.899 7.534 177 3HG2 THR 21 3HG2 THR 21 17.196 19.069 9.192 178 H GLU 22 H GLU 22 13.737 19.197 5.990 179 HA GLU 22 HA GLU 22 14.145 22.044 5.855 180 1HB GLU 22 2HB GLU 22 12.882 20.184 3.832 181 2HB GLU 22 3HB GLU 22 13.414 21.833 3.533 182 1HG GLU 22 2HG GLU 22 15.716 21.191 3.958 183 2HG GLU 22 3HG GLU 22 15.202 19.543 4.318 184 H SER 23 H SER 23 12.736 23.387 6.759 185 HA SER 23 HA SER 23 10.119 22.778 7.504 186 1HB SER 23 2HB SER 23 11.432 25.449 6.969 187 2HB SER 23 3HB SER 23 9.828 25.275 7.682 188 HG SER 23 HG SER 23 10.894 23.964 9.324 189 H GLY 24 H GLY 24 11.391 24.172 4.532 190 1HA GLY 24 2HA GLY 24 9.048 23.404 3.076 191 2HA GLY 24 3HA GLY 24 9.123 25.142 3.324 192 H GLU 25 H GLU 25 9.195 23.807 0.804 193 HA GLU 25 HA GLU 25 11.901 23.736 -0.140 194 1HB GLU 25 2HB GLU 25 10.203 22.338 -1.183 195 2HB GLU 25 3HB GLU 25 9.274 23.760 -1.635 196 1HG GLU 25 2HG GLU 25 10.664 24.301 -3.354 197 2HG GLU 25 3HG GLU 25 12.076 23.573 -2.589 198 H ILE 26 H ILE 26 13.088 25.325 -1.002 199 HA ILE 26 HA ILE 26 11.876 27.987 -1.174 200 HB ILE 26 HB ILE 26 13.872 27.791 0.230 201 1HG1 ILE 26 2HG1 ILE 26 14.561 29.330 -2.275 202 2HG1 ILE 26 3HG1 ILE 26 13.347 29.870 -1.121 203 1HG2 ILE 26 1HG2 ILE 26 14.778 26.045 -1.682 204 2HG2 ILE 26 2HG2 ILE 26 15.773 27.475 -1.957 205 3HG2 ILE 26 3HG2 ILE 26 15.740 26.717 -0.364 206 1HD1 ILE 26 1HD1 ILE 26 15.213 29.695 0.622 207 2HD1 ILE 26 2HD1 ILE 26 16.305 29.633 -0.762 208 3HD1 ILE 26 3HD1 ILE 26 15.262 31.035 -0.524 209 H THR 27 H THR 27 13.343 25.506 -3.101 210 HA THR 27 HA THR 27 13.869 27.159 -5.385 211 HB THR 27 HB THR 27 13.981 24.840 -6.550 212 HG1 THR 27 1HG THR 27 13.208 23.348 -5.238 213 1HG2 THR 27 1HG2 THR 27 16.232 24.496 -5.754 214 2HG2 THR 27 2HG2 THR 27 15.896 25.417 -4.288 215 3HG2 THR 27 3HG2 THR 27 15.924 26.230 -5.852 216 H LYS 28 H LYS 28 12.382 27.947 -6.707 217 HA LYS 28 HA LYS 28 9.709 26.795 -6.753 218 1HB LYS 28 2HB LYS 28 9.091 28.789 -8.028 219 2HB LYS 28 3HB LYS 28 9.941 29.225 -6.551 220 1HG LYS 28 2HG LYS 28 11.992 29.573 -7.832 221 2HG LYS 28 3HG LYS 28 11.140 29.134 -9.314 222 1HD LYS 28 2HD LYS 28 11.164 31.494 -9.263 223 2HD LYS 28 3HD LYS 28 9.533 31.025 -8.780 224 1HE LYS 28 2HE LYS 28 10.246 32.757 -7.308 225 2HE LYS 28 3HE LYS 28 10.270 31.247 -6.398 226 1HZ LYS 28 1HZ LYS 28 12.327 33.030 -6.630 227 2HZ LYS 28 2HZ LYS 28 12.771 31.772 -7.671 228 3HZ LYS 28 3HZ LYS 28 12.440 31.447 -6.044 229 H SER 29 H SER 29 8.600 26.449 -8.819 230 HA SER 29 HA SER 29 10.375 25.789 -11.056 231 1HB SER 29 2HB SER 29 10.128 23.687 -9.892 232 2HB SER 29 3HB SER 29 8.380 23.896 -9.794 233 HG SER 29 HG SER 29 9.125 22.488 -11.514 234 H ALA 30 H ALA 30 9.630 26.721 -12.831 235 HA ALA 30 HA ALA 30 6.728 26.880 -13.253 236 1HB ALA 30 1HB ALA 30 8.672 29.131 -13.194 237 2HB ALA 30 2HB ALA 30 7.340 29.196 -14.348 238 3HB ALA 30 3HB ALA 30 7.005 29.061 -12.623 239 H HIS 31 H HIS 31 6.055 26.651 -15.355 240 HA HIS 31 HA HIS 31 7.802 26.837 -17.595 241 1HB HIS 31 2HB HIS 31 8.343 24.580 -16.355 242 2HB HIS 31 3HB HIS 31 6.871 24.027 -17.149 243 HD1 HIS 31 1HD HIS 31 10.345 25.253 -17.922 244 HD2 HIS 31 2HD HIS 31 7.111 23.494 -19.849 245 HE1 HIS 31 1HE HIS 31 11.194 24.595 -20.195 246 HA PRO 32 HA PRO 32 3.201 27.099 -18.318 247 1HB PRO 32 2HB PRO 32 3.266 29.568 -19.445 248 2HB PRO 32 3HB PRO 32 3.121 29.312 -17.702 249 1HG PRO 32 2HG PRO 32 5.547 29.985 -19.322 250 2HG PRO 32 3HG PRO 32 5.027 30.643 -17.759 251 1HD PRO 32 2HD PRO 32 6.941 28.740 -17.975 252 2HD PRO 32 3HD PRO 32 5.840 28.833 -16.586 253 H ALA 33 H ALA 33 3.626 25.423 -19.883 254 HA ALA 33 HA ALA 33 4.744 26.087 -22.445 255 1HB ALA 33 1HB ALA 33 3.217 23.629 -21.591 256 2HB ALA 33 2HB ALA 33 4.167 23.806 -23.067 257 3HB ALA 33 3HB ALA 33 4.965 23.838 -21.495 258 H ARG 34 H ARG 34 3.668 26.253 -24.417 259 HA ARG 34 HA ARG 34 0.906 25.947 -24.799 260 1HB ARG 34 2HB ARG 34 0.555 27.822 -23.367 261 2HB ARG 34 3HB ARG 34 1.833 28.742 -24.149 262 1HG ARG 34 2HG ARG 34 0.498 28.875 -26.188 263 2HG ARG 34 3HG ARG 34 -0.783 27.946 -25.408 264 1HD ARG 34 2HD ARG 34 0.223 30.451 -24.129 265 2HD ARG 34 3HD ARG 34 -0.906 30.552 -25.480 266 HE ARG 34 HE ARG 34 -2.058 28.773 -23.762 267 1HH1 ARG 34 2HH1 ARG 34 -0.905 32.049 -23.506 268 2HH1 ARG 34 1HH1 ARG 34 -2.049 32.494 -22.284 269 1HH2 ARG 34 2HH2 ARG 34 -3.570 29.349 -22.154 270 2HH2 ARG 34 1HH2 ARG 34 -3.564 30.957 -21.516 271 H PHE 35 H PHE 35 1.011 25.320 -26.849 272 HA PHE 35 HA PHE 35 2.655 26.899 -28.716 273 1HB PHE 35 2HB PHE 35 2.526 24.724 -30.117 274 2HB PHE 35 3HB PHE 35 3.612 24.768 -28.731 275 HD1 PHE 35 1HD PHE 35 3.657 22.853 -27.486 276 HD2 PHE 35 2HD PHE 35 0.005 24.010 -29.342 277 HE1 PHE 35 1HE PHE 35 2.558 20.855 -26.561 278 HE2 PHE 35 2HE PHE 35 -1.100 22.014 -28.420 279 HZ PHE 35 HZ PHE 35 0.177 20.434 -27.027 280 H SER 36 H SER 36 1.841 26.694 -31.043 281 HA SER 36 HA SER 36 -0.979 26.304 -31.411 282 1HB SER 36 2HB SER 36 0.162 29.057 -31.131 283 2HB SER 36 3HB SER 36 -1.150 28.788 -32.278 284 HG SER 36 HG SER 36 -1.187 28.809 -29.527 285 HA PRO 37 HA PRO 37 1.764 25.779 -35.131 286 1HB PRO 37 2HB PRO 37 0.882 23.282 -35.725 287 2HB PRO 37 3HB PRO 37 2.210 23.589 -34.601 288 1HG PRO 37 2HG PRO 37 -0.668 23.006 -34.019 289 2HG PRO 37 3HG PRO 37 0.785 22.374 -33.223 290 1HD PRO 37 2HD PRO 37 -0.698 24.379 -32.169 291 2HD PRO 37 3HD PRO 37 1.059 24.268 -31.938 292 H ASP 38 H ASP 38 -1.573 24.571 -34.755 293 HA ASP 38 HA ASP 38 -2.221 25.837 -37.338 294 1HB ASP 38 2HB ASP 38 -2.289 23.292 -37.256 295 2HB ASP 38 3HB ASP 38 -3.665 23.459 -36.168 296 H ASP 39 H ASP 39 -2.433 26.547 -34.303 297 HA ASP 39 HA ASP 39 -5.282 26.979 -34.014 298 1HB ASP 39 2HB ASP 39 -3.605 26.428 -32.126 299 2HB ASP 39 3HB ASP 39 -3.161 28.130 -32.216 300 H LYS 40 H LYS 40 -2.529 28.693 -35.165 301 HA LYS 40 HA LYS 40 -3.863 31.282 -34.990 302 1HB LYS 40 2HB LYS 40 -1.397 30.963 -34.493 303 2HB LYS 40 3HB LYS 40 -1.171 30.681 -36.214 304 1HG LYS 40 2HG LYS 40 -0.636 32.931 -35.902 305 2HG LYS 40 3HG LYS 40 -2.272 32.950 -36.565 306 1HD LYS 40 2HD LYS 40 -2.533 34.422 -34.833 307 2HD LYS 40 3HD LYS 40 -2.933 32.914 -34.009 308 1HE LYS 40 2HE LYS 40 -0.092 33.796 -34.058 309 2HE LYS 40 3HE LYS 40 -1.212 34.639 -32.988 310 1HZ LYS 40 1HZ LYS 40 -0.483 31.770 -32.968 311 2HZ LYS 40 2HZ LYS 40 -1.843 32.360 -32.152 312 3HZ LYS 40 3HZ LYS 40 -0.299 32.905 -31.726 313 H TYR 41 H TYR 41 -2.939 28.860 -37.347 314 HA TYR 41 HA TYR 41 -3.292 30.307 -39.700 315 1HB TYR 41 2HB TYR 41 -3.368 27.435 -38.952 316 2HB TYR 41 3HB TYR 41 -4.106 27.870 -40.491 317 HD1 TYR 41 1HD TYR 41 -0.994 28.794 -38.623 318 HD2 TYR 41 2HD TYR 41 -2.734 27.580 -42.311 319 HE1 TYR 41 1HE TYR 41 1.231 28.820 -39.674 320 HE2 TYR 41 2HE TYR 41 -0.515 27.602 -43.372 321 HH TYR 41 HH TYR 41 2.357 27.750 -41.624 322 H SER 42 H SER 42 -5.620 29.005 -37.478 323 HA SER 42 HA SER 42 -7.888 28.836 -39.072 324 1HB SER 42 2HB SER 42 -9.168 28.957 -37.057 325 2HB SER 42 3HB SER 42 -7.660 28.141 -36.646 326 HG SER 42 HG SER 42 -7.026 30.514 -36.168 327 H ARG 43 H ARG 43 -6.198 31.621 -37.891 328 HA ARG 43 HA ARG 43 -8.210 33.554 -38.031 329 1HB ARG 43 2HB ARG 43 -6.479 35.176 -38.044 330 2HB ARG 43 3HB ARG 43 -5.876 33.826 -37.092 331 1HG ARG 43 2HG ARG 43 -4.040 34.160 -38.358 332 2HG ARG 43 3HG ARG 43 -4.916 33.118 -39.481 333 1HD ARG 43 2HD ARG 43 -4.417 34.827 -40.898 334 2HD ARG 43 3HD ARG 43 -5.934 35.446 -40.246 335 HE ARG 43 HE ARG 43 -4.062 36.449 -38.560 336 1HH1 ARG 43 2HH1 ARG 43 -4.471 36.493 -42.017 337 2HH1 ARG 43 1HH1 ARG 43 -3.684 38.023 -42.222 338 1HH2 ARG 43 2HH2 ARG 43 -3.024 38.464 -38.816 339 2HH2 ARG 43 1HH2 ARG 43 -2.861 39.143 -40.401 340 H GLN 44 H GLN 44 -6.427 31.941 -40.530 341 HA GLN 44 HA GLN 44 -6.719 33.752 -42.634 342 1HB GLN 44 2HB GLN 44 -6.209 31.960 -44.089 343 2HB GLN 44 3HB GLN 44 -5.356 31.607 -42.591 344 1HG GLN 44 2HG GLN 44 -7.484 30.221 -42.028 345 2HG GLN 44 3HG GLN 44 -7.742 30.269 -43.771 346 1HE2 GLN 44 1HE2 GLN 44 -6.878 28.185 -41.675 347 2HE2 GLN 44 2HE2 GLN 44 -5.539 27.399 -42.432 348 H ARG 45 H ARG 45 -9.033 31.722 -41.076 349 HA ARG 45 HA ARG 45 -10.941 31.360 -43.057 350 1HB ARG 45 2HB ARG 45 -11.298 31.817 -40.092 351 2HB ARG 45 3HB ARG 45 -12.594 31.311 -41.167 352 1HG ARG 45 2HG ARG 45 -11.402 29.266 -41.688 353 2HG ARG 45 3HG ARG 45 -10.045 29.782 -40.684 354 1HD ARG 45 2HD ARG 45 -12.848 29.147 -39.778 355 2HD ARG 45 3HD ARG 45 -11.385 28.224 -39.440 356 HE ARG 45 HE ARG 45 -10.820 30.644 -38.394 357 1HH1 ARG 45 2HH1 ARG 45 -13.529 28.484 -38.051 358 2HH1 ARG 45 1HH1 ARG 45 -13.889 28.984 -36.431 359 1HH2 ARG 45 2HH2 ARG 45 -11.284 31.310 -36.262 360 2HH2 ARG 45 1HH2 ARG 45 -12.612 30.591 -35.415 361 H VAL 46 H VAL 46 -10.057 34.228 -41.322 362 HA VAL 46 HA VAL 46 -12.312 35.802 -41.515 363 HB VAL 46 HB VAL 46 -9.441 36.663 -41.898 364 1HG1 VAL 46 1HG1 VAL 46 -10.917 38.374 -42.736 365 2HG1 VAL 46 2HG1 VAL 46 -11.910 38.281 -41.280 366 3HG1 VAL 46 3HG1 VAL 46 -10.257 38.889 -41.185 367 1HG2 VAL 46 1HG2 VAL 46 -9.277 36.917 -39.609 368 2HG2 VAL 46 2HG2 VAL 46 -11.023 37.002 -39.385 369 3HG2 VAL 46 3HG2 VAL 46 -10.254 35.454 -39.739 370 H THR 47 H THR 47 -9.904 35.088 -43.995 371 HA THR 47 HA THR 47 -10.597 36.904 -45.948 372 HB THR 47 HB THR 47 -8.703 35.271 -46.082 373 HG1 THR 47 1HG THR 47 -8.800 35.212 -48.321 374 1HG2 THR 47 1HG2 THR 47 -8.988 33.050 -46.414 375 2HG2 THR 47 2HG2 THR 47 -10.416 33.279 -47.425 376 3HG2 THR 47 3HG2 THR 47 -10.557 33.350 -45.669 377 H LEU 48 H LEU 48 -12.102 37.004 -47.582 378 HA LEU 48 HA LEU 48 -14.651 35.929 -47.091 379 1HB LEU 48 2HB LEU 48 -15.312 36.919 -49.163 380 2HB LEU 48 3HB LEU 48 -14.194 38.012 -48.348 381 HG LEU 48 HG LEU 48 -13.091 36.155 -50.393 382 1HD1 LEU 48 1HD1 LEU 48 -14.574 36.838 -51.923 383 2HD1 LEU 48 2HD1 LEU 48 -13.679 38.357 -51.883 384 3HD1 LEU 48 3HD1 LEU 48 -15.145 38.171 -50.921 385 1HD2 LEU 48 1HD2 LEU 48 -11.934 38.491 -50.847 386 2HD2 LEU 48 2HD2 LEU 48 -11.403 37.430 -49.541 387 3HD2 LEU 48 3HD2 LEU 48 -12.461 38.797 -49.191 388 H LYS 49 H LYS 49 -11.933 34.711 -48.843 389 HA LYS 49 HA LYS 49 -13.199 32.928 -50.592 390 1HB LYS 49 2HB LYS 49 -10.672 33.623 -50.305 391 2HB LYS 49 3HB LYS 49 -10.611 32.192 -49.283 392 1HG LYS 49 2HG LYS 49 -11.754 32.026 -52.039 393 2HG LYS 49 3HG LYS 49 -10.008 31.996 -51.788 394 1HD LYS 49 2HD LYS 49 -10.724 30.178 -49.966 395 2HD LYS 49 3HD LYS 49 -12.068 29.983 -51.093 396 1HE LYS 49 2HE LYS 49 -10.427 29.677 -52.923 397 2HE LYS 49 3HE LYS 49 -9.128 29.766 -51.734 398 1HZ LYS 49 1HZ LYS 49 -10.743 27.873 -50.698 399 2HZ LYS 49 2HZ LYS 49 -9.371 27.563 -51.636 400 3HZ LYS 49 3HZ LYS 49 -10.901 27.583 -52.357 401 H LYS 50 H LYS 50 -12.438 32.688 -47.182 402 HA LYS 50 HA LYS 50 -12.710 29.958 -46.770 403 1HB LYS 50 2HB LYS 50 -11.966 31.548 -45.041 404 2HB LYS 50 3HB LYS 50 -13.597 32.195 -44.938 405 1HG LYS 50 2HG LYS 50 -13.284 30.714 -43.107 406 2HG LYS 50 3HG LYS 50 -14.375 29.927 -44.250 407 1HD LYS 50 2HD LYS 50 -12.253 28.819 -45.191 408 2HD LYS 50 3HD LYS 50 -11.488 29.332 -43.686 409 1HE LYS 50 2HE LYS 50 -12.729 27.894 -42.407 410 2HE LYS 50 3HE LYS 50 -14.090 27.900 -43.528 411 1HZ LYS 50 1HZ LYS 50 -13.040 26.385 -44.926 412 2HZ LYS 50 2HZ LYS 50 -12.694 25.797 -43.378 413 3HZ LYS 50 3HZ LYS 50 -11.513 26.645 -44.244 414 H ARG 51 H ARG 51 -15.138 32.375 -47.384 415 HA ARG 51 HA ARG 51 -17.345 30.704 -46.582 416 1HB ARG 51 2HB ARG 51 -17.289 33.260 -46.547 417 2HB ARG 51 3HB ARG 51 -17.512 33.180 -48.290 418 1HG ARG 51 2HG ARG 51 -19.670 32.473 -48.126 419 2HG ARG 51 3HG ARG 51 -19.404 31.668 -46.578 420 1HD ARG 51 2HD ARG 51 -19.169 33.942 -45.545 421 2HD ARG 51 3HD ARG 51 -19.684 34.624 -47.087 422 HE ARG 51 HE ARG 51 -21.593 32.751 -46.336 423 1HH1 ARG 51 2HH1 ARG 51 -20.321 35.776 -45.173 424 2HH1 ARG 51 1HH1 ARG 51 -21.800 36.253 -44.407 425 1HH2 ARG 51 2HH2 ARG 51 -23.546 33.368 -45.332 426 2HH2 ARG 51 1HH2 ARG 51 -23.633 34.882 -44.497 427 H PHE 52 H PHE 52 -18.590 29.422 -47.835 428 HA PHE 52 HA PHE 52 -17.623 28.823 -50.502 429 1HB PHE 52 2HB PHE 52 -19.820 27.539 -48.866 430 2HB PHE 52 3HB PHE 52 -19.216 26.938 -50.407 431 HD1 PHE 52 1HD PHE 52 -16.849 26.146 -50.561 432 HD2 PHE 52 2HD PHE 52 -18.725 27.042 -46.847 433 HE1 PHE 52 1HE PHE 52 -15.126 24.845 -49.381 434 HE2 PHE 52 2HE PHE 52 -17.004 25.744 -45.661 435 HZ PHE 52 HZ PHE 52 -15.201 24.645 -46.928 436 H GLY 53 H GLY 53 -20.301 30.436 -48.984 437 1HA GLY 53 2HA GLY 53 -21.992 30.424 -51.311 438 2HA GLY 53 3HA GLY 53 -22.238 31.361 -49.845 439 H LEU 54 H LEU 54 -20.332 31.231 -52.827 440 HA LEU 54 HA LEU 54 -19.844 34.115 -52.611 441 1HB LEU 54 2HB LEU 54 -18.064 32.262 -53.157 442 2HB LEU 54 3HB LEU 54 -18.711 32.422 -54.788 443 HG LEU 54 HG LEU 54 -18.224 34.982 -54.356 444 1HD1 LEU 54 1HD1 LEU 54 -16.770 33.574 -52.215 445 2HD1 LEU 54 2HD1 LEU 54 -17.343 35.239 -52.298 446 3HD1 LEU 54 3HD1 LEU 54 -15.849 34.780 -53.114 447 1HD2 LEU 54 1HD2 LEU 54 -15.947 34.605 -55.323 448 2HD2 LEU 54 2HD2 LEU 54 -17.255 33.786 -56.177 449 3HD2 LEU 54 3HD2 LEU 54 -16.201 32.875 -55.093 450 H VAL 55 H VAL 55 -20.839 35.547 -53.887 451 HA VAL 55 HA VAL 55 -22.332 36.413 -55.375 452 HB VAL 55 HB VAL 55 -21.421 34.172 -57.180 453 1HG1 VAL 55 1HG1 VAL 55 -23.149 35.154 -58.323 454 2HG1 VAL 55 2HG1 VAL 55 -22.884 36.735 -57.584 455 3HG1 VAL 55 3HG1 VAL 55 -21.801 36.160 -58.853 456 1HG2 VAL 55 1HG2 VAL 55 -19.377 35.047 -56.997 457 2HG2 VAL 55 2HG2 VAL 55 -20.007 36.450 -57.861 458 3HG2 VAL 55 3HG2 VAL 55 -19.972 36.442 -56.097 459 HA PRO 56 HA PRO 56 -25.465 33.124 -54.334 460 1HB PRO 56 2HB PRO 56 -27.052 34.758 -52.860 461 2HB PRO 56 3HB PRO 56 -25.682 33.877 -52.174 462 1HG PRO 56 2HG PRO 56 -25.849 36.735 -53.049 463 2HG PRO 56 3HG PRO 56 -25.094 36.051 -51.598 464 1HD PRO 56 2HD PRO 56 -23.665 36.765 -53.784 465 2HD PRO 56 3HD PRO 56 -23.192 35.414 -52.733 466 H GLY 57 H GLY 57 -28.032 33.660 -54.377 467 1HA GLY 57 2HA GLY 57 -28.502 35.365 -56.741 468 2HA GLY 57 3HA GLY 57 -29.175 33.743 -56.636 469 H GLN 58 H GLN 58 -29.500 37.039 -55.696 470 HA GLN 58 HA GLN 58 -31.272 36.910 -53.579 471 1HB GLN 58 2HB GLN 58 -30.205 38.946 -54.856 472 2HB GLN 58 3HB GLN 58 -31.721 38.920 -55.748 473 1HG GLN 58 2HG GLN 58 -31.449 39.177 -52.761 474 2HG GLN 58 3HG GLN 58 -31.776 40.495 -53.885 475 1HE2 GLN 58 1HE2 GLN 58 -33.653 39.664 -55.504 476 2HE2 GLN 58 2HE2 GLN 58 -35.080 39.177 -54.661 Start of MODEL 14 1 1H HIS 2 H HIS 2 9.998 20.623 24.908 2 HA HIS 2 HA HIS 2 12.071 22.024 23.351 3 1HB HIS 2 2HB HIS 2 13.278 22.243 25.593 4 2HB HIS 2 3HB HIS 2 11.878 23.282 25.343 5 HD1 HIS 2 1HD HIS 2 10.642 23.473 27.465 6 HD2 HIS 2 2HD HIS 2 12.122 19.634 26.892 7 HE1 HIS 2 1HE HIS 2 9.839 22.142 29.441 8 H LEU 3 H LEU 3 10.919 19.087 24.289 9 HA LEU 3 HA LEU 3 13.316 17.712 24.959 10 1HB LEU 3 2HB LEU 3 10.703 16.680 23.869 11 2HB LEU 3 3HB LEU 3 12.001 15.672 24.503 12 HG LEU 3 HG LEU 3 10.969 17.747 26.332 13 1HD1 LEU 3 1HD1 LEU 3 8.881 17.063 25.352 14 2HD1 LEU 3 2HD1 LEU 3 9.030 16.343 26.954 15 3HD1 LEU 3 3HD1 LEU 3 9.316 15.362 25.517 16 1HD2 LEU 3 1HD2 LEU 3 10.952 15.314 27.590 17 2HD2 LEU 3 2HD2 LEU 3 12.302 16.448 27.573 18 3HD2 LEU 3 3HD2 LEU 3 12.249 15.124 26.409 19 H MET 4 H MET 4 14.078 15.815 23.578 20 HA MET 4 HA MET 4 14.250 16.667 20.762 21 1HB MET 4 2HB MET 4 16.522 15.724 20.720 22 2HB MET 4 3HB MET 4 16.375 17.023 21.895 23 1HG MET 4 2HG MET 4 15.947 14.254 22.856 24 2HG MET 4 3HG MET 4 17.591 14.736 22.441 25 1HE MET 4 1HE MET 4 18.812 16.390 25.480 26 2HE MET 4 2HE MET 4 18.855 14.814 24.688 27 3HE MET 4 3HE MET 4 19.049 16.286 23.735 28 H TYR 5 H TYR 5 12.465 14.713 22.219 29 HA TYR 5 HA TYR 5 12.523 12.671 20.222 30 1HB TYR 5 2HB TYR 5 12.935 10.759 21.641 31 2HB TYR 5 3HB TYR 5 14.297 11.866 21.774 32 HD1 TYR 5 1HD TYR 5 14.416 13.387 23.803 33 HD2 TYR 5 2HD TYR 5 11.735 10.094 23.549 34 HE1 TYR 5 1HE TYR 5 14.165 13.411 26.250 35 HE2 TYR 5 2HE TYR 5 11.475 10.110 25.995 36 HH TYR 5 HH TYR 5 13.363 11.252 28.037 37 H THR 6 H THR 6 10.502 12.013 19.868 38 HA THR 6 HA THR 6 8.400 12.908 21.642 39 HB THR 6 HB THR 6 6.851 12.135 19.931 40 HG1 THR 6 1HG THR 6 9.187 10.942 18.851 41 1HG2 THR 6 1HG2 THR 6 8.959 14.032 19.480 42 2HG2 THR 6 2HG2 THR 6 7.276 14.091 18.954 43 3HG2 THR 6 3HG2 THR 6 8.487 13.289 17.953 44 H LEU 7 H LEU 7 6.649 11.466 22.320 45 HA LEU 7 HA LEU 7 7.689 8.811 23.046 46 1HB LEU 7 2HB LEU 7 5.552 10.457 24.392 47 2HB LEU 7 3HB LEU 7 6.127 8.879 24.927 48 HG LEU 7 HG LEU 7 7.643 11.484 24.946 49 1HD1 LEU 7 1HD1 LEU 7 5.890 10.719 26.754 50 2HD1 LEU 7 2HD1 LEU 7 7.414 11.475 27.219 51 3HD1 LEU 7 3HD1 LEU 7 7.236 9.722 27.307 52 1HD2 LEU 7 1HD2 LEU 7 9.144 9.579 26.280 53 2HD2 LEU 7 2HD2 LEU 7 9.499 10.279 24.701 54 3HD2 LEU 7 3HD2 LEU 7 8.612 8.757 24.813 55 H GLY 8 H GLY 8 6.163 7.034 23.135 56 1HA GLY 8 2HA GLY 8 4.211 7.233 20.957 57 2HA GLY 8 3HA GLY 8 4.876 5.745 21.614 58 HA PRO 9 HA PRO 9 0.571 6.572 23.314 59 1HB PRO 9 2HB PRO 9 -0.576 4.315 22.333 60 2HB PRO 9 3HB PRO 9 -0.522 5.835 21.432 61 1HG PRO 9 2HG PRO 9 1.240 3.426 21.192 62 2HG PRO 9 3HG PRO 9 0.528 4.424 19.911 63 1HD PRO 9 2HD PRO 9 3.105 4.688 20.700 64 2HD PRO 9 3HD PRO 9 2.140 6.059 20.113 65 H ASP 10 H ASP 10 3.031 4.252 23.502 66 HA ASP 10 HA ASP 10 1.709 2.795 25.678 67 1HB ASP 10 2HB ASP 10 3.587 1.194 25.469 68 2HB ASP 10 3HB ASP 10 2.697 1.385 23.962 69 H GLY 11 H GLY 11 4.136 5.147 25.035 70 1HA GLY 11 2HA GLY 11 4.791 6.553 26.924 71 2HA GLY 11 3HA GLY 11 4.895 5.086 27.889 72 H LYS 12 H LYS 12 6.084 4.419 24.865 73 HA LYS 12 HA LYS 12 8.794 4.353 25.844 74 1HB LYS 12 2HB LYS 12 9.300 3.309 23.657 75 2HB LYS 12 3HB LYS 12 7.994 2.498 24.510 76 1HG LYS 12 2HG LYS 12 6.922 2.611 22.556 77 2HG LYS 12 3HG LYS 12 6.620 4.294 22.997 78 1HD LYS 12 2HD LYS 12 7.526 4.600 20.922 79 2HD LYS 12 3HD LYS 12 9.001 4.631 21.890 80 1HE LYS 12 2HE LYS 12 9.648 3.127 20.313 81 2HE LYS 12 3HE LYS 12 8.887 2.016 21.451 82 1HZ LYS 12 1HZ LYS 12 8.294 2.046 18.886 83 2HZ LYS 12 2HZ LYS 12 7.172 3.198 19.411 84 3HZ LYS 12 3HZ LYS 12 7.155 1.639 20.070 85 H ARG 13 H ARG 13 10.603 5.174 24.480 86 HA ARG 13 HA ARG 13 9.927 7.840 23.429 87 1HB ARG 13 2HB ARG 13 12.437 8.252 23.873 88 2HB ARG 13 3HB ARG 13 11.343 8.197 25.248 89 1HG ARG 13 2HG ARG 13 12.656 5.667 24.437 90 2HG ARG 13 3HG ARG 13 13.647 6.899 25.221 91 1HD ARG 13 2HD ARG 13 12.634 6.626 27.218 92 2HD ARG 13 3HD ARG 13 11.046 6.375 26.493 93 HE ARG 13 HE ARG 13 12.612 4.131 25.944 94 1HH1 ARG 13 2HH1 ARG 13 11.179 5.743 28.677 95 2HH1 ARG 13 1HH1 ARG 13 11.001 4.291 29.605 96 1HH2 ARG 13 2HH2 ARG 13 12.384 2.213 27.157 97 2HH2 ARG 13 1HH2 ARG 13 11.687 2.284 28.740 98 H ILE 14 H ILE 14 10.839 8.553 21.502 99 HA ILE 14 HA ILE 14 12.471 6.679 19.966 100 HB ILE 14 HB ILE 14 9.882 7.821 18.912 101 1HG1 ILE 14 2HG1 ILE 14 10.669 4.945 19.421 102 2HG1 ILE 14 3HG1 ILE 14 9.622 5.896 20.470 103 1HG2 ILE 14 1HG2 ILE 14 10.784 7.599 16.896 104 2HG2 ILE 14 2HG2 ILE 14 12.255 6.911 17.581 105 3HG2 ILE 14 3HG2 ILE 14 10.895 5.863 17.184 106 1HD1 ILE 14 1HD1 ILE 14 8.735 5.895 17.707 107 2HD1 ILE 14 2HD1 ILE 14 8.814 4.279 18.409 108 3HD1 ILE 14 3HD1 ILE 14 7.848 5.532 19.187 109 H TYR 15 H TYR 15 14.207 7.913 19.608 110 HA TYR 15 HA TYR 15 14.360 10.665 19.523 111 1HB TYR 15 2HB TYR 15 16.063 8.490 18.361 112 2HB TYR 15 3HB TYR 15 16.435 10.172 18.002 113 HD1 TYR 15 1HD TYR 15 18.004 11.179 19.350 114 HD2 TYR 15 2HD TYR 15 15.587 8.087 20.993 115 HE1 TYR 15 1HE TYR 15 19.220 11.369 21.480 116 HE2 TYR 15 2HE TYR 15 16.794 8.270 23.128 117 HH TYR 15 HH TYR 15 18.353 9.355 24.274 118 H THR 16 H THR 16 13.010 11.853 18.306 119 HA THR 16 HA THR 16 13.168 11.505 15.395 120 HB THR 16 HB THR 16 10.556 12.236 16.692 121 HG1 THR 16 1HG THR 16 11.166 9.606 15.832 122 1HG2 THR 16 1HG2 THR 16 9.972 12.504 14.558 123 2HG2 THR 16 2HG2 THR 16 10.225 10.775 14.317 124 3HG2 THR 16 3HG2 THR 16 11.538 11.911 14.010 125 H LEU 17 H LEU 17 14.406 13.375 17.314 126 HA LEU 17 HA LEU 17 13.236 15.873 17.411 127 1HB LEU 17 2HB LEU 17 15.383 16.760 17.806 128 2HB LEU 17 3HB LEU 17 15.388 15.133 18.482 129 HG LEU 17 HG LEU 17 16.429 14.575 16.091 130 1HD1 LEU 17 1HD1 LEU 17 18.153 16.588 15.871 131 2HD1 LEU 17 2HD1 LEU 17 16.760 17.496 16.458 132 3HD1 LEU 17 3HD1 LEU 17 16.631 16.543 14.980 133 1HD2 LEU 17 1HD2 LEU 17 17.320 14.647 18.666 134 2HD2 LEU 17 2HD2 LEU 17 18.441 15.750 17.866 135 3HD2 LEU 17 3HD2 LEU 17 18.264 14.093 17.282 136 H LYS 18 H LYS 18 14.789 14.264 14.729 137 HA LYS 18 HA LYS 18 15.328 16.367 13.024 138 1HB LYS 18 2HB LYS 18 14.923 14.736 11.172 139 2HB LYS 18 3HB LYS 18 15.991 14.139 12.435 140 1HG LYS 18 2HG LYS 18 13.989 12.983 13.429 141 2HG LYS 18 3HG LYS 18 13.117 13.409 11.955 142 1HD LYS 18 2HD LYS 18 13.907 11.234 11.569 143 2HD LYS 18 3HD LYS 18 15.038 12.278 10.703 144 1HE LYS 18 2HE LYS 18 16.742 11.888 12.188 145 2HE LYS 18 3HE LYS 18 15.646 11.549 13.526 146 1HZ LYS 18 1HZ LYS 18 16.416 9.468 13.050 147 2HZ LYS 18 2HZ LYS 18 16.581 9.766 11.393 148 3HZ LYS 18 3HZ LYS 18 15.047 9.497 12.056 149 H LYS 19 H LYS 19 12.255 14.972 13.899 150 HA LYS 19 HA LYS 19 10.657 15.929 11.820 151 1HB LYS 19 2HB LYS 19 9.910 14.319 13.551 152 2HB LYS 19 3HB LYS 19 9.896 15.624 14.731 153 1HG LYS 19 2HG LYS 19 8.027 16.608 13.826 154 2HG LYS 19 3HG LYS 19 8.295 15.897 12.231 155 1HD LYS 19 2HD LYS 19 7.580 14.255 14.651 156 2HD LYS 19 3HD LYS 19 6.366 14.950 13.575 157 1HE LYS 19 2HE LYS 19 8.586 13.333 12.415 158 2HE LYS 19 3HE LYS 19 7.247 12.506 13.209 159 1HZ LYS 19 1HZ LYS 19 5.838 14.063 11.689 160 2HZ LYS 19 2HZ LYS 19 6.489 12.629 11.072 161 3HZ LYS 19 3HZ LYS 19 7.245 14.108 10.751 162 H VAL 20 H VAL 20 11.025 17.389 15.059 163 HA VAL 20 HA VAL 20 9.915 19.885 14.156 164 HB VAL 20 HB VAL 20 9.528 19.105 16.449 165 1HG1 VAL 20 1HG1 VAL 20 12.165 18.391 16.440 166 2HG1 VAL 20 2HG1 VAL 20 12.177 19.839 17.448 167 3HG1 VAL 20 3HG1 VAL 20 11.139 18.477 17.873 168 1HG2 VAL 20 1HG2 VAL 20 9.394 21.209 17.219 169 2HG2 VAL 20 2HG2 VAL 20 11.123 21.496 17.023 170 3HG2 VAL 20 3HG2 VAL 20 10.040 21.657 15.640 171 H THR 21 H THR 21 10.963 21.641 13.457 172 HA THR 21 HA THR 21 13.896 21.539 13.373 173 HB THR 21 HB THR 21 12.777 21.782 11.201 174 HG1 THR 21 1HG THR 21 14.264 23.185 10.551 175 1HG2 THR 21 1HG2 THR 21 11.024 23.436 12.556 176 2HG2 THR 21 2HG2 THR 21 11.096 23.208 10.809 177 3HG2 THR 21 3HG2 THR 21 11.957 24.552 11.559 178 H GLU 22 H GLU 22 11.195 23.434 14.520 179 HA GLU 22 HA GLU 22 12.838 25.683 15.286 180 1HB GLU 22 2HB GLU 22 10.778 26.602 16.232 181 2HB GLU 22 3HB GLU 22 10.520 26.042 14.585 182 1HG GLU 22 2HG GLU 22 9.493 23.997 15.437 183 2HG GLU 22 3HG GLU 22 9.750 24.558 17.089 184 H SER 23 H SER 23 13.743 26.056 17.221 185 HA SER 23 HA SER 23 13.583 23.943 19.220 186 1HB SER 23 2HB SER 23 15.403 26.332 18.893 187 2HB SER 23 3HB SER 23 15.449 25.282 20.309 188 HG SER 23 HG SER 23 16.561 24.902 17.906 189 H GLY 24 H GLY 24 12.684 27.293 18.770 190 1HA GLY 24 2HA GLY 24 10.664 27.330 20.648 191 2HA GLY 24 3HA GLY 24 12.107 27.842 21.509 192 H GLU 25 H GLU 25 12.272 29.967 21.663 193 HA GLU 25 HA GLU 25 10.701 31.797 20.257 194 1HB GLU 25 2HB GLU 25 11.920 32.162 22.451 195 2HB GLU 25 3HB GLU 25 13.376 32.425 21.502 196 1HG GLU 25 2HG GLU 25 12.567 34.395 20.573 197 2HG GLU 25 3HG GLU 25 10.896 34.011 20.979 198 H ILE 26 H ILE 26 10.752 32.010 18.112 199 HA ILE 26 HA ILE 26 12.809 31.398 16.381 200 HB ILE 26 HB ILE 26 10.361 32.030 15.859 201 1HG1 ILE 26 2HG1 ILE 26 10.995 32.713 13.542 202 2HG1 ILE 26 3HG1 ILE 26 12.651 32.930 14.098 203 1HG2 ILE 26 1HG2 ILE 26 11.617 34.748 15.519 204 2HG2 ILE 26 2HG2 ILE 26 9.946 34.297 15.192 205 3HG2 ILE 26 3HG2 ILE 26 10.548 34.303 16.849 206 1HD1 ILE 26 1HD1 ILE 26 11.718 30.677 12.972 207 2HD1 ILE 26 2HD1 ILE 26 13.071 30.726 14.104 208 3HD1 ILE 26 3HD1 ILE 26 11.455 30.309 14.677 209 H THR 27 H THR 27 14.270 32.713 15.163 210 HA THR 27 HA THR 27 16.056 34.135 15.081 211 HB THR 27 HB THR 27 15.548 36.450 15.027 212 HG1 THR 27 1HG THR 27 13.478 37.166 15.977 213 1HG2 THR 27 1HG2 THR 27 12.819 35.790 14.322 214 2HG2 THR 27 2HG2 THR 27 13.952 34.586 13.710 215 3HG2 THR 27 3HG2 THR 27 14.158 36.285 13.287 216 H LYS 28 H LYS 28 15.785 32.707 17.545 217 HA LYS 28 HA LYS 28 16.035 34.199 19.860 218 1HB LYS 28 2HB LYS 28 17.388 32.278 20.727 219 2HB LYS 28 3HB LYS 28 15.862 31.812 19.987 220 1HG LYS 28 2HG LYS 28 16.959 31.047 18.019 221 2HG LYS 28 3HG LYS 28 18.500 31.730 18.545 222 1HD LYS 28 2HD LYS 28 17.101 29.687 20.226 223 2HD LYS 28 3HD LYS 28 18.064 29.185 18.835 224 1HE LYS 28 2HE LYS 28 20.037 30.110 19.747 225 2HE LYS 28 3HE LYS 28 19.140 31.006 20.972 226 1HZ LYS 28 1HZ LYS 28 19.340 29.293 22.337 227 2HZ LYS 28 2HZ LYS 28 20.242 28.455 21.179 228 3HZ LYS 28 3HZ LYS 28 18.562 28.270 21.238 229 H SER 29 H SER 29 18.381 33.604 17.333 230 HA SER 29 HA SER 29 20.261 35.384 18.740 231 1HB SER 29 2HB SER 29 21.125 33.084 18.717 232 2HB SER 29 3HB SER 29 20.956 33.031 16.963 233 HG SER 29 HG SER 29 22.901 34.198 18.512 234 H ALA 30 H ALA 30 21.809 36.477 17.234 235 HA ALA 30 HA ALA 30 20.384 37.883 15.238 236 1HB ALA 30 1HB ALA 30 22.381 38.677 16.616 237 2HB ALA 30 2HB ALA 30 23.378 37.821 15.440 238 3HB ALA 30 3HB ALA 30 22.333 39.141 14.915 239 H HIS 31 H HIS 31 21.070 38.085 12.957 240 HA HIS 31 HA HIS 31 20.855 35.692 11.574 241 1HB HIS 31 2HB HIS 31 21.660 38.465 10.838 242 2HB HIS 31 3HB HIS 31 21.980 37.183 9.674 243 HD1 HIS 31 1HD HIS 31 20.119 38.961 8.482 244 HD2 HIS 31 2HD HIS 31 18.781 36.191 11.275 245 HE1 HIS 31 1HE HIS 31 17.648 38.731 8.071 246 HA PRO 32 HA PRO 32 24.834 33.856 11.386 247 1HB PRO 32 2HB PRO 32 24.955 32.972 8.823 248 2HB PRO 32 3HB PRO 32 23.918 32.230 10.047 249 1HG PRO 32 2HG PRO 32 23.211 34.203 7.910 250 2HG PRO 32 3HG PRO 32 22.327 32.759 8.435 251 1HD PRO 32 2HD PRO 32 21.641 35.255 9.230 252 2HD PRO 32 3HD PRO 32 21.413 33.827 10.261 253 H ALA 33 H ALA 33 26.946 34.314 10.921 254 HA ALA 33 HA ALA 33 27.633 36.867 10.000 255 1HB ALA 33 1HB ALA 33 29.299 36.084 11.313 256 2HB ALA 33 2HB ALA 33 29.110 34.422 10.755 257 3HB ALA 33 3HB ALA 33 29.974 35.592 9.760 258 H ARG 34 H ARG 34 27.271 33.831 8.322 259 HA ARG 34 HA ARG 34 27.139 35.047 5.786 260 1HB ARG 34 2HB ARG 34 29.178 34.197 4.758 261 2HB ARG 34 3HB ARG 34 29.569 35.278 6.089 262 1HG ARG 34 2HG ARG 34 29.405 32.380 6.683 263 2HG ARG 34 3HG ARG 34 30.786 32.953 5.746 264 1HD ARG 34 2HD ARG 34 29.913 33.986 8.443 265 2HD ARG 34 3HD ARG 34 31.286 32.923 8.135 266 HE ARG 34 HE ARG 34 31.218 35.752 7.837 267 1HH1 ARG 34 2HH1 ARG 34 32.611 32.844 6.527 268 2HH1 ARG 34 1HH1 ARG 34 34.026 33.639 5.920 269 1HH2 ARG 34 2HH2 ARG 34 33.076 36.810 7.043 270 2HH2 ARG 34 1HH2 ARG 34 34.289 35.895 6.215 271 H PHE 35 H PHE 35 26.911 33.450 4.032 272 HA PHE 35 HA PHE 35 25.363 31.222 4.908 273 1HB PHE 35 2HB PHE 35 26.359 31.708 2.100 274 2HB PHE 35 3HB PHE 35 24.926 30.814 2.598 275 HD1 PHE 35 1HD PHE 35 26.319 34.061 1.840 276 HD2 PHE 35 2HD PHE 35 22.960 32.027 3.481 277 HE1 PHE 35 1HE PHE 35 24.970 36.103 1.600 278 HE2 PHE 35 2HE PHE 35 21.605 34.066 3.243 279 HZ PHE 35 HZ PHE 35 22.609 36.108 2.301 280 H SER 36 H SER 36 26.395 29.574 5.866 281 HA SER 36 HA SER 36 28.040 27.843 4.346 282 1HB SER 36 2HB SER 36 29.980 28.096 6.145 283 2HB SER 36 3HB SER 36 29.948 29.085 4.686 284 HG SER 36 HG SER 36 30.281 30.260 6.688 285 HA PRO 37 HA PRO 37 25.744 26.106 8.009 286 1HB PRO 37 2HB PRO 37 24.364 24.258 6.577 287 2HB PRO 37 3HB PRO 37 23.790 25.912 6.818 288 1HG PRO 37 2HG PRO 37 25.192 24.719 4.458 289 2HG PRO 37 3HG PRO 37 23.805 25.823 4.495 290 1HD PRO 37 2HD PRO 37 26.327 26.669 3.992 291 2HD PRO 37 3HD PRO 37 25.130 27.679 4.829 292 H ASP 38 H ASP 38 27.372 24.597 5.264 293 HA ASP 38 HA ASP 38 28.460 22.579 7.110 294 1HB ASP 38 2HB ASP 38 27.270 22.197 4.383 295 2HB ASP 38 3HB ASP 38 28.523 21.100 4.957 296 H ASP 39 H ASP 39 30.598 21.977 6.789 297 HA ASP 39 HA ASP 39 32.204 23.930 5.377 298 1HB ASP 39 2HB ASP 39 33.055 21.546 7.035 299 2HB ASP 39 3HB ASP 39 34.113 22.828 6.451 300 H LYS 40 H LYS 40 31.046 20.726 4.893 301 HA LYS 40 HA LYS 40 33.050 19.948 2.988 302 1HB LYS 40 2HB LYS 40 31.485 18.460 4.468 303 2HB LYS 40 3HB LYS 40 30.343 18.673 3.147 304 1HG LYS 40 2HG LYS 40 31.352 16.743 2.491 305 2HG LYS 40 3HG LYS 40 32.400 17.917 1.690 306 1HD LYS 40 2HD LYS 40 33.885 16.432 2.720 307 2HD LYS 40 3HD LYS 40 33.824 17.811 3.820 308 1HE LYS 40 2HE LYS 40 32.048 16.551 5.099 309 2HE LYS 40 3HE LYS 40 32.445 15.151 4.107 310 1HZ LYS 40 1HZ LYS 40 33.988 16.417 6.235 311 2HZ LYS 40 2HZ LYS 40 34.859 15.783 4.931 312 3HZ LYS 40 3HZ LYS 40 33.839 14.780 5.833 313 H TYR 41 H TYR 41 30.602 22.151 2.855 314 HA TYR 41 HA TYR 41 29.271 21.737 0.471 315 1HB TYR 41 2HB TYR 41 28.741 24.039 0.487 316 2HB TYR 41 3HB TYR 41 28.939 23.606 2.182 317 HD1 TYR 41 1HD TYR 41 31.547 23.846 2.957 318 HD2 TYR 41 2HD TYR 41 29.627 26.070 -0.120 319 HE1 TYR 41 1HE TYR 41 33.209 25.640 3.225 320 HE2 TYR 41 2HE TYR 41 31.284 27.868 0.137 321 HH TYR 41 HH TYR 41 34.141 27.484 1.999 322 H SER 42 H SER 42 32.563 22.704 1.017 323 HA SER 42 HA SER 42 33.222 23.906 -1.390 324 1HB SER 42 2HB SER 42 34.670 23.491 0.722 325 2HB SER 42 3HB SER 42 35.092 21.965 -0.053 326 HG SER 42 HG SER 42 35.587 24.597 -0.952 327 H ARG 43 H ARG 43 34.801 22.806 -3.015 328 HA ARG 43 HA ARG 43 33.305 20.658 -4.250 329 1HB ARG 43 2HB ARG 43 34.640 21.050 -6.194 330 2HB ARG 43 3HB ARG 43 34.203 22.619 -5.531 331 1HG ARG 43 2HG ARG 43 36.515 22.401 -4.314 332 2HG ARG 43 3HG ARG 43 36.852 21.269 -5.625 333 1HD ARG 43 2HD ARG 43 35.841 24.076 -6.047 334 2HD ARG 43 3HD ARG 43 37.549 23.638 -6.061 335 HE ARG 43 HE ARG 43 36.328 21.954 -7.866 336 1HH1 ARG 43 2HH1 ARG 43 36.707 25.392 -7.469 337 2HH1 ARG 43 1HH1 ARG 43 36.657 25.726 -9.168 338 1HH2 ARG 43 2HH2 ARG 43 36.261 22.381 -10.105 339 2HH2 ARG 43 1HH2 ARG 43 36.403 24.011 -10.667 340 H GLN 44 H GLN 44 35.432 20.611 -1.861 341 HA GLN 44 HA GLN 44 37.417 18.777 -2.693 342 1HB GLN 44 2HB GLN 44 37.306 20.272 -0.571 343 2HB GLN 44 3HB GLN 44 36.411 18.932 0.131 344 1HG GLN 44 2HG GLN 44 38.394 17.484 -0.619 345 2HG GLN 44 3HG GLN 44 39.254 19.013 -0.793 346 1HE2 GLN 44 1HE2 GLN 44 40.697 18.637 0.843 347 2HE2 GLN 44 2HE2 GLN 44 40.245 18.587 2.510 348 H ARG 45 H ARG 45 34.105 18.412 -1.808 349 HA ARG 45 HA ARG 45 34.335 15.574 -1.262 350 1HB ARG 45 2HB ARG 45 31.903 15.657 -0.946 351 2HB ARG 45 3HB ARG 45 32.717 16.895 0.001 352 1HG ARG 45 2HG ARG 45 32.134 18.560 -1.712 353 2HG ARG 45 3HG ARG 45 31.269 17.309 -2.605 354 1HD ARG 45 2HD ARG 45 30.610 17.837 0.263 355 2HD ARG 45 3HD ARG 45 29.970 18.891 -0.998 356 HE ARG 45 HE ARG 45 29.401 16.325 -1.811 357 1HH1 ARG 45 2HH1 ARG 45 28.665 18.325 0.942 358 2HH1 ARG 45 1HH1 ARG 45 27.138 17.565 1.251 359 1HH2 ARG 45 2HH2 ARG 45 27.394 15.316 -1.414 360 2HH2 ARG 45 1HH2 ARG 45 26.417 15.853 -0.089 361 H VAL 46 H VAL 46 33.132 17.687 -3.821 362 HA VAL 46 HA VAL 46 32.147 15.526 -5.434 363 HB VAL 46 HB VAL 46 31.733 17.185 -7.140 364 1HG1 VAL 46 1HG1 VAL 46 30.203 18.598 -5.978 365 2HG1 VAL 46 2HG1 VAL 46 30.242 17.050 -5.131 366 3HG1 VAL 46 3HG1 VAL 46 31.109 18.440 -4.474 367 1HG2 VAL 46 1HG2 VAL 46 32.409 19.551 -6.782 368 2HG2 VAL 46 2HG2 VAL 46 33.393 19.022 -5.418 369 3HG2 VAL 46 3HG2 VAL 46 33.768 18.459 -7.046 370 H THR 47 H THR 47 35.135 17.304 -5.147 371 HA THR 47 HA THR 47 36.347 16.809 -7.579 372 HB THR 47 HB THR 47 37.305 18.188 -5.712 373 HG1 THR 47 1HG THR 47 39.301 17.898 -6.523 374 1HG2 THR 47 1HG2 THR 47 38.151 17.295 -3.813 375 2HG2 THR 47 2HG2 THR 47 38.732 15.844 -4.629 376 3HG2 THR 47 3HG2 THR 47 37.033 15.981 -4.178 377 H LEU 48 H LEU 48 37.505 15.142 -8.473 378 HA LEU 48 HA LEU 48 38.143 13.004 -8.906 379 1HB LEU 48 2HB LEU 48 39.357 13.463 -6.696 380 2HB LEU 48 3HB LEU 48 38.096 12.482 -5.951 381 HG LEU 48 HG LEU 48 38.802 10.642 -7.571 382 1HD1 LEU 48 1HD1 LEU 48 40.346 12.638 -8.661 383 2HD1 LEU 48 2HD1 LEU 48 40.534 10.909 -8.949 384 3HD1 LEU 48 3HD1 LEU 48 41.506 11.707 -7.713 385 1HD2 LEU 48 1HD2 LEU 48 39.468 10.027 -5.516 386 2HD2 LEU 48 2HD2 LEU 48 40.139 11.616 -5.144 387 3HD2 LEU 48 3HD2 LEU 48 41.074 10.466 -6.101 388 H LYS 49 H LYS 49 35.255 13.807 -8.205 389 HA LYS 49 HA LYS 49 33.203 12.828 -8.014 390 1HB LYS 49 2HB LYS 49 34.362 11.807 -10.153 391 2HB LYS 49 3HB LYS 49 34.320 10.325 -9.207 392 1HG LYS 49 2HG LYS 49 31.824 10.842 -8.889 393 2HG LYS 49 3HG LYS 49 32.037 11.964 -10.234 394 1HD LYS 49 2HD LYS 49 31.873 10.280 -11.674 395 2HD LYS 49 3HD LYS 49 33.267 9.495 -10.928 396 1HE LYS 49 2HE LYS 49 31.928 8.234 -9.484 397 2HE LYS 49 3HE LYS 49 30.527 9.278 -9.726 398 1HZ LYS 49 1HZ LYS 49 31.149 6.929 -11.073 399 2HZ LYS 49 2HZ LYS 49 31.321 8.183 -12.196 400 3HZ LYS 49 3HZ LYS 49 29.858 7.982 -11.372 401 H LYS 50 H LYS 50 34.979 12.473 -5.758 402 HA LYS 50 HA LYS 50 33.827 9.995 -4.662 403 1HB LYS 50 2HB LYS 50 36.346 9.937 -5.146 404 2HB LYS 50 3HB LYS 50 36.507 11.079 -3.817 405 1HG LYS 50 2HG LYS 50 35.684 9.509 -2.248 406 2HG LYS 50 3HG LYS 50 35.156 8.410 -3.525 407 1HD LYS 50 2HD LYS 50 37.133 7.434 -2.809 408 2HD LYS 50 3HD LYS 50 37.661 8.389 -4.197 409 1HE LYS 50 2HE LYS 50 38.624 10.034 -2.844 410 2HE LYS 50 3HE LYS 50 37.723 9.516 -1.419 411 1HZ LYS 50 1HZ LYS 50 39.936 8.033 -2.732 412 2HZ LYS 50 2HZ LYS 50 39.037 7.463 -1.417 413 3HZ LYS 50 3HZ LYS 50 40.011 8.835 -1.244 414 H ARG 51 H ARG 51 32.206 10.810 -3.449 415 HA ARG 51 HA ARG 51 32.612 13.186 -1.835 416 1HB ARG 51 2HB ARG 51 30.212 11.368 -2.125 417 2HB ARG 51 3HB ARG 51 30.237 12.867 -1.207 418 1HG ARG 51 2HG ARG 51 30.251 14.180 -3.080 419 2HG ARG 51 3HG ARG 51 31.026 12.943 -4.073 420 1HD ARG 51 2HD ARG 51 28.663 13.332 -4.683 421 2HD ARG 51 3HD ARG 51 28.978 11.676 -4.169 422 HE ARG 51 HE ARG 51 28.154 13.028 -1.912 423 1HH1 ARG 51 2HH1 ARG 51 26.841 12.291 -5.052 424 2HH1 ARG 51 1HH1 ARG 51 25.198 12.265 -4.503 425 1HH2 ARG 51 2HH2 ARG 51 25.995 12.998 -1.178 426 2HH2 ARG 51 1HH2 ARG 51 24.718 12.668 -2.300 427 H PHE 52 H PHE 52 31.109 10.081 -0.965 428 HA PHE 52 HA PHE 52 32.508 10.233 1.617 429 1HB PHE 52 2HB PHE 52 30.718 8.977 2.580 430 2HB PHE 52 3HB PHE 52 29.984 10.247 1.605 431 HD1 PHE 52 1HD PHE 52 29.109 9.660 -0.682 432 HD2 PHE 52 2HD PHE 52 30.247 6.721 2.179 433 HE1 PHE 52 1HE PHE 52 27.800 7.971 -1.901 434 HE2 PHE 52 2HE PHE 52 28.941 5.027 0.964 435 HZ PHE 52 HZ PHE 52 27.715 5.651 -1.080 436 H GLY 53 H GLY 53 33.434 9.075 -1.023 437 1HA GLY 53 2HA GLY 53 35.115 7.389 -1.172 438 2HA GLY 53 3HA GLY 53 34.289 6.497 0.098 439 H LEU 54 H LEU 54 31.669 6.997 -1.289 440 HA LEU 54 HA LEU 54 30.293 5.903 -2.731 441 1HB LEU 54 2HB LEU 54 32.253 6.935 -4.264 442 2HB LEU 54 3HB LEU 54 32.450 5.221 -4.626 443 HG LEU 54 HG LEU 54 29.804 6.624 -4.902 444 1HD1 LEU 54 1HD1 LEU 54 30.308 6.836 -7.296 445 2HD1 LEU 54 2HD1 LEU 54 31.959 6.302 -6.985 446 3HD1 LEU 54 3HD1 LEU 54 31.380 7.820 -6.300 447 1HD2 LEU 54 1HD2 LEU 54 29.409 4.757 -6.495 448 2HD2 LEU 54 2HD2 LEU 54 29.657 4.230 -4.830 449 3HD2 LEU 54 3HD2 LEU 54 30.959 4.069 -6.009 450 H VAL 55 H VAL 55 31.328 4.388 -0.659 451 HA VAL 55 HA VAL 55 31.456 2.230 0.059 452 HB VAL 55 HB VAL 55 30.646 1.439 -2.740 453 1HG1 VAL 55 1HG1 VAL 55 31.073 -0.575 -1.815 454 2HG1 VAL 55 2HG1 VAL 55 30.934 0.032 -0.164 455 3HG1 VAL 55 3HG1 VAL 55 29.481 -0.341 -1.093 456 1HG2 VAL 55 1HG2 VAL 55 29.158 2.809 -0.636 457 2HG2 VAL 55 2HG2 VAL 55 28.780 2.614 -2.348 458 3HG2 VAL 55 3HG2 VAL 55 28.376 1.333 -1.204 459 HA PRO 56 HA PRO 56 35.607 1.915 -2.057 460 1HB PRO 56 2HB PRO 56 37.068 2.234 0.210 461 2HB PRO 56 3HB PRO 56 36.515 3.593 -0.776 462 1HG PRO 56 2HG PRO 56 35.345 2.481 1.744 463 2HG PRO 56 3HG PRO 56 35.585 4.174 1.274 464 1HD PRO 56 2HD PRO 56 33.185 2.937 1.087 465 2HD PRO 56 3HD PRO 56 33.694 4.207 -0.044 466 H GLY 57 H GLY 57 37.553 0.534 -0.994 467 1HA GLY 57 2HA GLY 57 38.101 -1.411 0.303 468 2HA GLY 57 3HA GLY 57 36.398 -1.844 0.301 469 H GLN 58 H GLN 58 38.553 -3.571 -0.399 470 HA GLN 58 HA GLN 58 38.677 -3.771 -3.262 471 1HB GLN 58 2HB GLN 58 40.033 -5.711 -2.907 472 2HB GLN 58 3HB GLN 58 40.512 -4.502 -1.723 473 1HG GLN 58 2HG GLN 58 40.437 -6.381 -0.426 474 2HG GLN 58 3HG GLN 58 38.810 -5.744 -0.188 475 1HE2 GLN 58 1HE2 GLN 58 38.122 -7.843 0.384 476 2HE2 GLN 58 2HE2 GLN 58 37.827 -9.044 -0.821 Start of MODEL 15 1 1H HIS 2 H HIS 2 15.189 19.817 28.160 2 HA HIS 2 HA HIS 2 13.181 20.735 26.563 3 1HB HIS 2 2HB HIS 2 15.807 21.085 25.106 4 2HB HIS 2 3HB HIS 2 14.197 21.369 24.454 5 HD1 HIS 2 1HD HIS 2 16.536 22.765 27.090 6 HD2 HIS 2 2HD HIS 2 13.267 23.909 24.795 7 HE1 HIS 2 1HE HIS 2 16.241 25.226 27.519 8 H LEU 3 H LEU 3 12.318 19.038 25.520 9 HA LEU 3 HA LEU 3 13.607 16.497 25.684 10 1HB LEU 3 2HB LEU 3 11.182 17.005 24.013 11 2HB LEU 3 3HB LEU 3 11.605 15.580 24.958 12 HG LEU 3 HG LEU 3 10.625 18.223 26.032 13 1HD1 LEU 3 1HD1 LEU 3 8.924 16.291 26.901 14 2HD1 LEU 3 2HD1 LEU 3 9.339 15.697 25.294 15 3HD1 LEU 3 3HD1 LEU 3 8.653 17.310 25.488 16 1HD2 LEU 3 1HD2 LEU 3 10.508 16.722 28.166 17 2HD2 LEU 3 2HD2 LEU 3 12.017 17.520 27.724 18 3HD2 LEU 3 3HD2 LEU 3 11.781 15.811 27.355 19 H MET 4 H MET 4 14.045 15.064 23.903 20 HA MET 4 HA MET 4 14.536 16.404 21.336 21 1HB MET 4 2HB MET 4 16.576 15.946 23.043 22 2HB MET 4 3HB MET 4 16.550 14.408 22.191 23 1HG MET 4 2HG MET 4 16.601 15.771 20.049 24 2HG MET 4 3HG MET 4 17.003 17.150 21.069 25 1HE MET 4 1HE MET 4 17.617 13.629 20.270 26 2HE MET 4 2HE MET 4 19.114 13.847 19.365 27 3HE MET 4 3HE MET 4 19.164 13.231 21.018 28 H TYR 5 H TYR 5 12.550 14.423 22.441 29 HA TYR 5 HA TYR 5 12.470 12.722 20.151 30 1HB TYR 5 2HB TYR 5 12.554 10.573 21.402 31 2HB TYR 5 3HB TYR 5 14.091 11.427 21.396 32 HD1 TYR 5 1HD TYR 5 11.116 10.662 23.468 33 HD2 TYR 5 2HD TYR 5 15.132 12.070 23.417 34 HE1 TYR 5 1HE TYR 5 11.183 10.542 25.924 35 HE2 TYR 5 2HE TYR 5 15.209 11.954 25.873 36 HH TYR 5 HH TYR 5 12.542 11.722 27.788 37 H THR 6 H THR 6 10.471 11.712 19.885 38 HA THR 6 HA THR 6 8.370 12.759 21.630 39 HB THR 6 HB THR 6 6.808 12.208 19.864 40 HG1 THR 6 1HG THR 6 7.582 10.351 18.969 41 1HG2 THR 6 1HG2 THR 6 9.301 13.520 18.772 42 2HG2 THR 6 2HG2 THR 6 7.988 14.323 19.633 43 3HG2 THR 6 3HG2 THR 6 7.697 13.615 18.045 44 H LEU 7 H LEU 7 6.981 11.495 22.775 45 HA LEU 7 HA LEU 7 7.769 8.737 23.186 46 1HB LEU 7 2HB LEU 7 5.636 10.407 24.509 47 2HB LEU 7 3HB LEU 7 6.104 8.781 25.001 48 HG LEU 7 HG LEU 7 7.745 11.302 25.195 49 1HD1 LEU 7 1HD1 LEU 7 7.491 11.139 27.481 50 2HD1 LEU 7 2HD1 LEU 7 7.098 9.421 27.423 51 3HD1 LEU 7 3HD1 LEU 7 5.909 10.615 26.903 52 1HD2 LEU 7 1HD2 LEU 7 8.583 8.523 24.997 53 2HD2 LEU 7 2HD2 LEU 7 9.131 9.300 26.484 54 3HD2 LEU 7 3HD2 LEU 7 9.537 10.004 24.918 55 H GLY 8 H GLY 8 6.209 6.980 23.198 56 1HA GLY 8 2HA GLY 8 4.360 7.233 20.940 57 2HA GLY 8 3HA GLY 8 4.948 5.729 21.632 58 HA PRO 9 HA PRO 9 0.584 6.573 23.091 59 1HB PRO 9 2HB PRO 9 -0.450 4.215 22.231 60 2HB PRO 9 3HB PRO 9 -0.378 5.659 21.215 61 1HG PRO 9 2HG PRO 9 1.450 3.289 21.272 62 2HG PRO 9 3HG PRO 9 0.793 4.161 19.876 63 1HD PRO 9 2HD PRO 9 3.311 4.559 20.788 64 2HD PRO 9 3HD PRO 9 2.352 5.851 20.037 65 H ASP 10 H ASP 10 3.011 4.185 23.501 66 HA ASP 10 HA ASP 10 1.622 3.001 25.799 67 1HB ASP 10 2HB ASP 10 2.511 1.369 24.258 68 2HB ASP 10 3HB ASP 10 4.096 2.136 24.293 69 H GLY 11 H GLY 11 4.233 5.096 24.934 70 1HA GLY 11 2HA GLY 11 4.952 6.651 26.690 71 2HA GLY 11 3HA GLY 11 4.965 5.282 27.792 72 H LYS 12 H LYS 12 6.132 4.663 24.635 73 HA LYS 12 HA LYS 12 8.825 4.339 25.695 74 1HB LYS 12 2HB LYS 12 7.702 2.545 24.348 75 2HB LYS 12 3HB LYS 12 7.779 3.614 22.954 76 1HG LYS 12 2HG LYS 12 9.598 2.122 22.771 77 2HG LYS 12 3HG LYS 12 10.271 3.675 23.270 78 1HD LYS 12 2HD LYS 12 11.363 2.272 24.716 79 2HD LYS 12 3HD LYS 12 9.938 2.666 25.680 80 1HE LYS 12 2HE LYS 12 8.875 0.605 25.047 81 2HE LYS 12 3HE LYS 12 10.171 0.236 23.910 82 1HZ LYS 12 1HZ LYS 12 11.187 -0.822 25.550 83 2HZ LYS 12 2HZ LYS 12 10.025 -0.327 26.676 84 3HZ LYS 12 3HZ LYS 12 11.375 0.646 26.369 85 H ARG 13 H ARG 13 10.634 5.379 24.917 86 HA ARG 13 HA ARG 13 10.181 7.957 23.722 87 1HB ARG 13 2HB ARG 13 12.849 6.680 24.312 88 2HB ARG 13 3HB ARG 13 12.484 8.394 24.163 89 1HG ARG 13 2HG ARG 13 11.239 8.366 26.214 90 2HG ARG 13 3HG ARG 13 11.403 6.614 26.335 91 1HD ARG 13 2HD ARG 13 13.861 6.903 26.471 92 2HD ARG 13 3HD ARG 13 13.622 8.649 26.478 93 HE ARG 13 HE ARG 13 13.000 8.522 28.679 94 1HH1 ARG 13 2HH1 ARG 13 12.945 5.333 27.285 95 2HH1 ARG 13 1HH1 ARG 13 12.688 4.533 28.801 96 1HH2 ARG 13 2HH2 ARG 13 12.662 7.481 30.680 97 2HH2 ARG 13 1HH2 ARG 13 12.526 5.756 30.730 98 H ILE 14 H ILE 14 10.884 8.686 21.731 99 HA ILE 14 HA ILE 14 12.111 6.759 19.903 100 HB ILE 14 HB ILE 14 9.591 8.277 19.210 101 1HG1 ILE 14 2HG1 ILE 14 9.984 5.295 19.523 102 2HG1 ILE 14 3HG1 ILE 14 9.273 6.327 20.758 103 1HG2 ILE 14 1HG2 ILE 14 10.735 8.122 17.210 104 2HG2 ILE 14 2HG2 ILE 14 11.483 6.585 17.636 105 3HG2 ILE 14 3HG2 ILE 14 9.776 6.643 17.194 106 1HD1 ILE 14 1HD1 ILE 14 8.088 5.190 18.371 107 2HD1 ILE 14 2HD1 ILE 14 7.322 5.844 19.819 108 3HD1 ILE 14 3HD1 ILE 14 7.804 6.925 18.511 109 H TYR 15 H TYR 15 13.968 7.909 19.670 110 HA TYR 15 HA TYR 15 14.276 10.657 19.562 111 1HB TYR 15 2HB TYR 15 15.877 8.354 18.534 112 2HB TYR 15 3HB TYR 15 16.334 9.983 18.048 113 HD1 TYR 15 1HD TYR 15 15.038 8.707 21.306 114 HD2 TYR 15 2HD TYR 15 18.284 10.482 19.205 115 HE1 TYR 15 1HE TYR 15 16.248 8.993 23.428 116 HE2 TYR 15 2HE TYR 15 19.504 10.771 21.321 117 HH TYR 15 HH TYR 15 18.309 10.848 24.135 118 H THR 16 H THR 16 13.048 11.912 18.292 119 HA THR 16 HA THR 16 13.355 11.647 15.410 120 HB THR 16 HB THR 16 11.285 10.370 15.988 121 HG1 THR 16 1HG THR 16 10.654 12.737 14.549 122 1HG2 THR 16 1HG2 THR 16 10.664 11.914 17.897 123 2HG2 THR 16 2HG2 THR 16 9.347 11.462 16.816 124 3HG2 THR 16 3HG2 THR 16 10.097 13.052 16.675 125 H LEU 17 H LEU 17 14.248 13.526 17.466 126 HA LEU 17 HA LEU 17 12.815 15.871 17.644 127 1HB LEU 17 2HB LEU 17 14.845 15.564 18.877 128 2HB LEU 17 3HB LEU 17 15.787 15.451 17.392 129 HG LEU 17 HG LEU 17 15.007 17.884 16.987 130 1HD1 LEU 17 1HD1 LEU 17 14.962 18.796 19.565 131 2HD1 LEU 17 2HD1 LEU 17 13.972 17.339 19.663 132 3HD1 LEU 17 3HD1 LEU 17 13.553 18.615 18.519 133 1HD2 LEU 17 1HD2 LEU 17 17.129 18.315 17.473 134 2HD2 LEU 17 2HD2 LEU 17 17.237 16.727 18.234 135 3HD2 LEU 17 3HD2 LEU 17 16.815 18.141 19.200 136 H LYS 18 H LYS 18 15.324 15.167 15.204 137 HA LYS 18 HA LYS 18 15.720 16.051 13.142 138 1HB LYS 18 2HB LYS 18 12.722 15.871 13.235 139 2HB LYS 18 3HB LYS 18 13.540 16.502 11.812 140 1HG LYS 18 2HG LYS 18 14.673 14.440 11.450 141 2HG LYS 18 3HG LYS 18 14.126 13.804 13.005 142 1HD LYS 18 2HD LYS 18 11.787 13.957 12.185 143 2HD LYS 18 3HD LYS 18 12.410 14.454 10.609 144 1HE LYS 18 2HE LYS 18 13.715 12.319 10.551 145 2HE LYS 18 3HE LYS 18 12.864 11.827 12.015 146 1HZ LYS 18 1HZ LYS 18 10.993 12.690 10.100 147 2HZ LYS 18 2HZ LYS 18 11.169 11.153 10.785 148 3HZ LYS 18 3HZ LYS 18 12.019 11.555 9.378 149 H LYS 19 H LYS 19 15.971 17.918 15.167 150 HA LYS 19 HA LYS 19 14.540 20.281 14.924 151 1HB LYS 19 2HB LYS 19 16.067 20.006 16.746 152 2HB LYS 19 3HB LYS 19 17.429 19.797 15.653 153 1HG LYS 19 2HG LYS 19 17.538 22.052 15.147 154 2HG LYS 19 3HG LYS 19 15.872 22.348 15.650 155 1HD LYS 19 2HD LYS 19 17.392 23.285 17.280 156 2HD LYS 19 3HD LYS 19 16.537 21.914 17.989 157 1HE LYS 19 2HE LYS 19 18.417 20.554 17.936 158 2HE LYS 19 3HE LYS 19 19.204 21.524 16.692 159 1HZ LYS 19 1HZ LYS 19 20.145 21.747 18.982 160 2HZ LYS 19 2HZ LYS 19 18.710 22.513 19.443 161 3HZ LYS 19 3HZ LYS 19 19.696 23.208 18.256 162 H VAL 20 H VAL 20 16.997 18.942 12.862 163 HA VAL 20 HA VAL 20 17.809 21.247 11.495 164 HB VAL 20 HB VAL 20 17.549 18.493 10.287 165 1HG1 VAL 20 1HG1 VAL 20 19.157 20.937 9.617 166 2HG1 VAL 20 2HG1 VAL 20 19.637 19.331 9.066 167 3HG1 VAL 20 3HG1 VAL 20 18.080 20.004 8.579 168 1HG2 VAL 20 1HG2 VAL 20 19.270 19.478 12.426 169 2HG2 VAL 20 2HG2 VAL 20 18.932 17.825 11.914 170 3HG2 VAL 20 3HG2 VAL 20 20.164 18.772 11.080 171 H THR 21 H THR 21 17.171 22.128 9.500 172 HA THR 21 HA THR 21 14.315 21.810 8.948 173 HB THR 21 HB THR 21 15.253 24.095 9.362 174 HG1 THR 21 1HG THR 21 13.334 23.929 8.197 175 1HG2 THR 21 1HG2 THR 21 16.256 24.519 6.699 176 2HG2 THR 21 2HG2 THR 21 17.190 23.261 7.509 177 3HG2 THR 21 3HG2 THR 21 17.029 24.854 8.248 178 H GLU 22 H GLU 22 13.813 22.313 6.498 179 HA GLU 22 HA GLU 22 15.570 20.616 4.852 180 1HB GLU 22 2HB GLU 22 13.673 19.635 3.783 181 2HB GLU 22 3HB GLU 22 13.417 19.509 5.518 182 1HG GLU 22 2HG GLU 22 11.953 21.484 5.419 183 2HG GLU 22 3HG GLU 22 12.167 21.529 3.670 184 H SER 23 H SER 23 15.329 23.582 5.205 185 HA SER 23 HA SER 23 14.183 24.568 2.760 186 1HB SER 23 2HB SER 23 14.221 25.951 4.798 187 2HB SER 23 3HB SER 23 15.985 25.953 4.763 188 HG SER 23 HG SER 23 14.311 26.972 2.708 189 H GLY 24 H GLY 24 15.684 22.775 1.717 190 1HA GLY 24 2HA GLY 24 17.967 24.254 0.601 191 2HA GLY 24 3HA GLY 24 18.226 22.631 1.222 192 H GLU 25 H GLU 25 16.401 21.058 0.320 193 HA GLU 25 HA GLU 25 16.717 21.172 -2.567 194 1HB GLU 25 2HB GLU 25 17.077 19.103 -1.024 195 2HB GLU 25 3HB GLU 25 15.326 18.956 -1.100 196 1HG GLU 25 2HG GLU 25 17.129 19.029 -3.506 197 2HG GLU 25 3HG GLU 25 16.533 17.555 -2.746 198 H ILE 26 H ILE 26 15.238 22.205 -3.725 199 HA ILE 26 HA ILE 26 12.414 21.990 -2.904 200 HB ILE 26 HB ILE 26 13.313 24.288 -2.683 201 1HG1 ILE 26 2HG1 ILE 26 11.284 23.991 -4.908 202 2HG1 ILE 26 3HG1 ILE 26 10.921 23.862 -3.190 203 1HG2 ILE 26 1HG2 ILE 26 14.818 23.859 -4.793 204 2HG2 ILE 26 2HG2 ILE 26 13.435 24.540 -5.646 205 3HG2 ILE 26 3HG2 ILE 26 14.251 25.482 -4.399 206 1HD1 ILE 26 1HD1 ILE 26 10.312 26.022 -3.622 207 2HD1 ILE 26 2HD1 ILE 26 11.981 26.246 -3.096 208 3HD1 ILE 26 3HD1 ILE 26 11.589 26.261 -4.815 209 H THR 27 H THR 27 10.854 21.743 -4.528 210 HA THR 27 HA THR 27 11.887 20.519 -6.971 211 HB THR 27 HB THR 27 9.366 19.958 -7.267 212 HG1 THR 27 1HG THR 27 8.826 21.446 -5.459 213 1HG2 THR 27 1HG2 THR 27 10.770 18.153 -6.835 214 2HG2 THR 27 2HG2 THR 27 9.637 18.096 -5.484 215 3HG2 THR 27 3HG2 THR 27 11.248 18.777 -5.256 216 H LYS 28 H LYS 28 12.129 21.789 -8.684 217 HA LYS 28 HA LYS 28 11.030 24.346 -8.986 218 1HB LYS 28 2HB LYS 28 11.933 24.328 -11.193 219 2HB LYS 28 3HB LYS 28 13.047 23.425 -10.177 220 1HG LYS 28 2HG LYS 28 11.947 21.328 -10.988 221 2HG LYS 28 3HG LYS 28 11.057 22.323 -12.143 222 1HD LYS 28 2HD LYS 28 12.872 21.630 -13.398 223 2HD LYS 28 3HD LYS 28 13.417 23.200 -12.800 224 1HE LYS 28 2HE LYS 28 15.251 21.872 -12.368 225 2HE LYS 28 3HE LYS 28 14.391 21.803 -10.831 226 1HZ LYS 28 1HZ LYS 28 13.546 19.762 -12.646 227 2HZ LYS 28 2HZ LYS 28 14.080 19.627 -11.046 228 3HZ LYS 28 3HZ LYS 28 15.202 19.665 -12.312 229 H SER 29 H SER 29 9.668 24.982 -10.942 230 HA SER 29 HA SER 29 7.572 25.054 -11.836 231 1HB SER 29 2HB SER 29 7.019 23.275 -13.257 232 2HB SER 29 3HB SER 29 8.770 23.132 -13.108 233 HG SER 29 HG SER 29 8.532 21.297 -12.097 234 H ALA 30 H ALA 30 7.692 24.766 -9.003 235 HA ALA 30 HA ALA 30 4.996 23.808 -8.544 236 1HB ALA 30 1HB ALA 30 6.640 22.745 -6.432 237 2HB ALA 30 2HB ALA 30 5.461 21.927 -7.459 238 3HB ALA 30 3HB ALA 30 7.132 22.096 -7.998 239 H HIS 31 H HIS 31 4.131 25.563 -7.647 240 HA HIS 31 HA HIS 31 5.271 26.600 -5.189 241 1HB HIS 31 2HB HIS 31 5.193 28.132 -7.743 242 2HB HIS 31 3HB HIS 31 4.795 28.994 -6.260 243 HD1 HIS 31 1HD HIS 31 7.606 27.980 -8.289 244 HD2 HIS 31 2HD HIS 31 6.966 28.776 -4.261 245 HE1 HIS 31 1HE HIS 31 9.890 28.363 -7.307 246 HA PRO 32 HA PRO 32 1.078 27.163 -4.031 247 1HB PRO 32 2HB PRO 32 1.183 29.406 -2.506 248 2HB PRO 32 3HB PRO 32 1.835 27.852 -1.974 249 1HG PRO 32 2HG PRO 32 3.268 30.206 -3.143 250 2HG PRO 32 3HG PRO 32 3.736 29.176 -1.778 251 1HD PRO 32 2HD PRO 32 4.793 28.881 -4.253 252 2HD PRO 32 3HD PRO 32 4.552 27.512 -3.148 253 H ALA 33 H ALA 33 0.109 27.606 -6.046 254 HA ALA 33 HA ALA 33 -0.965 30.263 -6.277 255 1HB ALA 33 1HB ALA 33 0.262 31.094 -7.932 256 2HB ALA 33 2HB ALA 33 1.382 29.753 -7.683 257 3HB ALA 33 3HB ALA 33 0.096 29.615 -8.881 258 H ARG 34 H ARG 34 -2.108 30.250 -8.692 259 HA ARG 34 HA ARG 34 -3.158 27.809 -9.604 260 1HB ARG 34 2HB ARG 34 -5.457 27.974 -8.722 261 2HB ARG 34 3HB ARG 34 -4.274 27.701 -7.451 262 1HG ARG 34 2HG ARG 34 -4.314 30.225 -7.102 263 2HG ARG 34 3HG ARG 34 -5.767 30.216 -8.103 264 1HD ARG 34 2HD ARG 34 -6.364 30.129 -5.754 265 2HD ARG 34 3HD ARG 34 -6.807 28.621 -6.553 266 HE ARG 34 HE ARG 34 -5.375 27.526 -5.158 267 1HH1 ARG 34 2HH1 ARG 34 -4.508 30.898 -5.220 268 2HH1 ARG 34 1HH1 ARG 34 -3.300 30.744 -3.987 269 1HH2 ARG 34 2HH2 ARG 34 -3.787 27.311 -3.534 270 2HH2 ARG 34 1HH2 ARG 34 -2.890 28.703 -3.030 271 H PHE 35 H PHE 35 -4.014 28.132 -11.566 272 HA PHE 35 HA PHE 35 -4.684 30.898 -12.316 273 1HB PHE 35 2HB PHE 35 -4.028 30.374 -14.562 274 2HB PHE 35 3HB PHE 35 -2.753 29.798 -13.495 275 HD1 PHE 35 1HD PHE 35 -5.103 28.927 -16.044 276 HD2 PHE 35 2HD PHE 35 -2.695 27.336 -12.915 277 HE1 PHE 35 1HE PHE 35 -5.285 26.688 -17.047 278 HE2 PHE 35 2HE PHE 35 -2.874 25.094 -13.914 279 HZ PHE 35 HZ PHE 35 -4.168 24.768 -15.983 280 H SER 36 H SER 36 -6.432 28.795 -11.088 281 HA SER 36 HA SER 36 -8.536 27.948 -11.299 282 1HB SER 36 2HB SER 36 -9.043 30.028 -13.415 283 2HB SER 36 3HB SER 36 -10.149 29.409 -12.189 284 HG SER 36 HG SER 36 -9.543 31.067 -11.063 285 HA PRO 37 HA PRO 37 -7.394 25.646 -15.168 286 1HB PRO 37 2HB PRO 37 -7.416 23.197 -13.996 287 2HB PRO 37 3HB PRO 37 -5.992 24.243 -14.008 288 1HG PRO 37 2HG PRO 37 -8.006 23.812 -11.835 289 2HG PRO 37 3HG PRO 37 -6.240 23.924 -11.719 290 1HD PRO 37 2HD PRO 37 -7.874 25.996 -11.113 291 2HD PRO 37 3HD PRO 37 -6.254 26.227 -11.802 292 H ASP 38 H ASP 38 -9.940 25.573 -12.852 293 HA ASP 38 HA ASP 38 -11.623 23.594 -13.787 294 1HB ASP 38 2HB ASP 38 -11.906 25.208 -11.786 295 2HB ASP 38 3HB ASP 38 -12.687 26.279 -12.947 296 H ASP 39 H ASP 39 -13.736 23.971 -14.973 297 HA ASP 39 HA ASP 39 -13.106 25.111 -17.561 298 1HB ASP 39 2HB ASP 39 -15.584 23.652 -16.618 299 2HB ASP 39 3HB ASP 39 -15.214 24.077 -18.286 300 H LYS 40 H LYS 40 -14.898 25.961 -14.747 301 HA LYS 40 HA LYS 40 -16.558 27.912 -16.096 302 1HB LYS 40 2HB LYS 40 -17.115 26.532 -13.955 303 2HB LYS 40 3HB LYS 40 -16.186 27.770 -13.121 304 1HG LYS 40 2HG LYS 40 -18.255 28.679 -12.937 305 2HG LYS 40 3HG LYS 40 -17.785 29.374 -14.490 306 1HD LYS 40 2HD LYS 40 -19.116 26.719 -14.513 307 2HD LYS 40 3HD LYS 40 -20.108 28.130 -14.135 308 1HE LYS 40 2HE LYS 40 -19.051 29.172 -16.236 309 2HE LYS 40 3HE LYS 40 -18.563 27.525 -16.635 310 1HZ LYS 40 1HZ LYS 40 -21.141 28.756 -16.827 311 2HZ LYS 40 2HZ LYS 40 -21.195 27.286 -15.992 312 3HZ LYS 40 3HZ LYS 40 -20.563 27.345 -17.560 313 H TYR 41 H TYR 41 -13.395 27.861 -15.457 314 HA TYR 41 HA TYR 41 -12.731 30.142 -14.057 315 1HB TYR 41 2HB TYR 41 -10.615 30.064 -15.129 316 2HB TYR 41 3HB TYR 41 -11.166 28.395 -15.033 317 HD1 TYR 41 1HD TYR 41 -12.486 27.550 -17.162 318 HD2 TYR 41 2HD TYR 41 -9.782 30.834 -17.142 319 HE1 TYR 41 1HE TYR 41 -12.180 27.304 -19.590 320 HE2 TYR 41 2HE TYR 41 -9.469 30.598 -19.570 321 HH TYR 41 HH TYR 41 -10.214 29.593 -21.434 322 H SER 42 H SER 42 -13.997 29.836 -17.294 323 HA SER 42 HA SER 42 -13.681 32.722 -17.730 324 1HB SER 42 2HB SER 42 -12.864 31.547 -19.609 325 2HB SER 42 3HB SER 42 -14.214 30.413 -19.592 326 HG SER 42 HG SER 42 -14.741 31.804 -21.170 327 H ARG 43 H ARG 43 -15.345 33.507 -16.447 328 HA ARG 43 HA ARG 43 -17.954 32.523 -16.331 329 1HB ARG 43 2HB ARG 43 -18.531 34.520 -15.231 330 2HB ARG 43 3HB ARG 43 -16.836 34.271 -14.838 331 1HG ARG 43 2HG ARG 43 -17.800 36.076 -17.044 332 2HG ARG 43 3HG ARG 43 -17.436 36.617 -15.404 333 1HD ARG 43 2HD ARG 43 -15.537 35.388 -17.394 334 2HD ARG 43 3HD ARG 43 -15.521 37.040 -16.778 335 HE ARG 43 HE ARG 43 -15.272 35.400 -14.575 336 1HH1 ARG 43 2HH1 ARG 43 -13.497 36.006 -17.507 337 2HH1 ARG 43 1HH1 ARG 43 -11.959 35.617 -16.811 338 1HH2 ARG 43 2HH2 ARG 43 -13.253 34.886 -13.646 339 2HH2 ARG 43 1HH2 ARG 43 -11.821 34.980 -14.615 340 H GLN 44 H GLN 44 -16.349 34.307 -18.792 341 HA GLN 44 HA GLN 44 -18.390 35.687 -20.034 342 1HB GLN 44 2HB GLN 44 -15.860 35.480 -20.622 343 2HB GLN 44 3HB GLN 44 -16.385 34.160 -21.658 344 1HG GLN 44 2HG GLN 44 -18.078 35.901 -22.576 345 2HG GLN 44 3HG GLN 44 -16.971 37.076 -21.868 346 1HE2 GLN 44 1HE2 GLN 44 -17.536 36.867 -24.610 347 2HE2 GLN 44 2HE2 GLN 44 -16.085 36.405 -25.427 348 H ARG 45 H ARG 45 -17.710 32.253 -20.057 349 HA ARG 45 HA ARG 45 -19.210 31.400 -22.213 350 1HB ARG 45 2HB ARG 45 -17.771 30.095 -20.430 351 2HB ARG 45 3HB ARG 45 -19.331 29.854 -19.657 352 1HG ARG 45 2HG ARG 45 -20.156 28.916 -21.831 353 2HG ARG 45 3HG ARG 45 -18.487 28.968 -22.401 354 1HD ARG 45 2HD ARG 45 -18.624 26.812 -21.613 355 2HD ARG 45 3HD ARG 45 -18.000 27.657 -20.197 356 HE ARG 45 HE ARG 45 -20.663 27.752 -19.812 357 1HH1 ARG 45 2HH1 ARG 45 -18.483 25.151 -20.585 358 2HH1 ARG 45 1HH1 ARG 45 -19.427 23.944 -19.775 359 1HH2 ARG 45 2HH2 ARG 45 -21.915 26.174 -18.742 360 2HH2 ARG 45 1HH2 ARG 45 -21.379 24.527 -18.728 361 H VAL 46 H VAL 46 -20.278 32.467 -19.055 362 HA VAL 46 HA VAL 46 -22.988 31.582 -19.386 363 HB VAL 46 HB VAL 46 -21.823 33.566 -17.427 364 1HG1 VAL 46 1HG1 VAL 46 -24.501 32.178 -17.446 365 2HG1 VAL 46 2HG1 VAL 46 -23.875 33.180 -16.135 366 3HG1 VAL 46 3HG1 VAL 46 -24.215 33.897 -17.710 367 1HG2 VAL 46 1HG2 VAL 46 -20.895 31.276 -17.271 368 2HG2 VAL 46 2HG2 VAL 46 -21.815 31.747 -15.842 369 3HG2 VAL 46 3HG2 VAL 46 -22.531 30.660 -17.032 370 H THR 47 H THR 47 -21.257 34.641 -19.754 371 HA THR 47 HA THR 47 -23.386 36.368 -20.137 372 HB THR 47 HB THR 47 -20.880 36.587 -21.788 373 HG1 THR 47 1HG THR 47 -21.082 37.451 -19.090 374 1HG2 THR 47 1HG2 THR 47 -21.277 38.862 -21.782 375 2HG2 THR 47 2HG2 THR 47 -22.213 38.803 -20.289 376 3HG2 THR 47 3HG2 THR 47 -22.922 38.229 -21.798 377 H LEU 48 H LEU 48 -24.820 36.735 -21.722 378 HA LEU 48 HA LEU 48 -25.264 34.860 -23.753 379 1HB LEU 48 2HB LEU 48 -26.329 37.552 -23.089 380 2HB LEU 48 3HB LEU 48 -26.660 36.907 -24.696 381 HG LEU 48 HG LEU 48 -27.616 34.868 -23.516 382 1HD1 LEU 48 1HD1 LEU 48 -28.487 36.003 -21.157 383 2HD1 LEU 48 2HD1 LEU 48 -26.785 36.457 -21.234 384 3HD1 LEU 48 3HD1 LEU 48 -27.248 34.758 -21.324 385 1HD2 LEU 48 1HD2 LEU 48 -28.766 37.583 -23.697 386 2HD2 LEU 48 2HD2 LEU 48 -29.660 36.414 -22.726 387 3HD2 LEU 48 3HD2 LEU 48 -29.307 36.067 -24.420 388 H LYS 49 H LYS 49 -24.115 34.518 -25.524 389 HA LYS 49 HA LYS 49 -22.157 36.305 -26.504 390 1HB LYS 49 2HB LYS 49 -23.360 33.744 -27.474 391 2HB LYS 49 3HB LYS 49 -22.367 34.688 -28.576 392 1HG LYS 49 2HG LYS 49 -21.305 34.076 -25.865 393 2HG LYS 49 3HG LYS 49 -21.327 32.800 -27.085 394 1HD LYS 49 2HD LYS 49 -20.221 34.593 -28.605 395 2HD LYS 49 3HD LYS 49 -19.836 35.397 -27.082 396 1HE LYS 49 2HE LYS 49 -18.755 33.302 -26.310 397 2HE LYS 49 3HE LYS 49 -19.052 32.602 -27.901 398 1HZ LYS 49 1HZ LYS 49 -16.808 33.470 -27.725 399 2HZ LYS 49 2HZ LYS 49 -17.401 35.009 -27.351 400 3HZ LYS 49 3HZ LYS 49 -17.688 34.342 -28.879 401 H LYS 50 H LYS 50 -25.512 35.750 -27.321 402 HA LYS 50 HA LYS 50 -25.395 38.061 -29.128 403 1HB LYS 50 2HB LYS 50 -26.834 36.991 -30.736 404 2HB LYS 50 3HB LYS 50 -25.441 35.955 -30.456 405 1HG LYS 50 2HG LYS 50 -26.859 34.649 -28.849 406 2HG LYS 50 3HG LYS 50 -28.238 35.592 -29.417 407 1HD LYS 50 2HD LYS 50 -28.381 33.761 -30.794 408 2HD LYS 50 3HD LYS 50 -27.378 34.828 -31.780 409 1HE LYS 50 2HE LYS 50 -26.055 32.964 -29.867 410 2HE LYS 50 3HE LYS 50 -26.708 32.315 -31.371 411 1HZ LYS 50 1HZ LYS 50 -24.760 32.921 -32.236 412 2HZ LYS 50 2HZ LYS 50 -24.371 33.931 -30.936 413 3HZ LYS 50 3HZ LYS 50 -25.350 34.507 -32.190 414 H ARG 51 H ARG 51 -27.154 39.417 -29.069 415 HA ARG 51 HA ARG 51 -28.867 39.153 -26.758 416 1HB ARG 51 2HB ARG 51 -27.746 41.306 -27.818 417 2HB ARG 51 3HB ARG 51 -29.226 41.330 -28.767 418 1HG ARG 51 2HG ARG 51 -30.571 41.555 -26.830 419 2HG ARG 51 3HG ARG 51 -29.208 41.206 -25.765 420 1HD ARG 51 2HD ARG 51 -29.195 43.561 -27.626 421 2HD ARG 51 3HD ARG 51 -29.936 43.650 -26.029 422 HE ARG 51 HE ARG 51 -27.413 42.647 -25.610 423 1HH1 ARG 51 2HH1 ARG 51 -28.770 45.528 -27.019 424 2HH1 ARG 51 1HH1 ARG 51 -27.419 46.528 -26.597 425 1HH2 ARG 51 2HH2 ARG 51 -25.629 43.954 -25.049 426 2HH2 ARG 51 1HH2 ARG 51 -25.633 45.631 -25.478 427 H PHE 52 H PHE 52 -29.447 39.681 -30.240 428 HA PHE 52 HA PHE 52 -32.190 39.364 -30.245 429 1HB PHE 52 2HB PHE 52 -31.988 38.802 -32.619 430 2HB PHE 52 3HB PHE 52 -30.899 40.119 -32.198 431 HD1 PHE 52 1HD PHE 52 -31.171 36.735 -33.429 432 HD2 PHE 52 2HD PHE 52 -28.470 39.687 -31.978 433 HE1 PHE 52 1HE PHE 52 -29.286 35.469 -34.375 434 HE2 PHE 52 2HE PHE 52 -26.580 38.427 -32.922 435 HZ PHE 52 HZ PHE 52 -26.987 36.315 -34.123 436 H GLY 53 H GLY 53 -33.525 37.720 -29.867 437 1HA GLY 53 2HA GLY 53 -32.699 34.987 -30.432 438 2HA GLY 53 3HA GLY 53 -33.004 35.356 -28.742 439 H LEU 54 H LEU 54 -34.836 36.951 -31.218 440 HA LEU 54 HA LEU 54 -37.235 35.569 -30.276 441 1HB LEU 54 2HB LEU 54 -36.971 38.121 -30.401 442 2HB LEU 54 3HB LEU 54 -37.179 37.920 -32.139 443 HG LEU 54 HG LEU 54 -39.234 36.793 -30.292 444 1HD1 LEU 54 1HD1 LEU 54 -38.626 39.239 -29.705 445 2HD1 LEU 54 2HD1 LEU 54 -40.319 38.806 -29.944 446 3HD1 LEU 54 3HD1 LEU 54 -39.430 39.626 -31.227 447 1HD2 LEU 54 1HD2 LEU 54 -38.918 37.367 -33.123 448 2HD2 LEU 54 2HD2 LEU 54 -40.417 38.020 -32.463 449 3HD2 LEU 54 3HD2 LEU 54 -40.059 36.299 -32.304 450 H VAL 55 H VAL 55 -35.241 35.971 -33.093 451 HA VAL 55 HA VAL 55 -36.672 33.833 -34.426 452 HB VAL 55 HB VAL 55 -37.913 35.765 -35.226 453 1HG1 VAL 55 1HG1 VAL 55 -36.986 37.741 -35.662 454 2HG1 VAL 55 2HG1 VAL 55 -35.464 37.080 -35.062 455 3HG1 VAL 55 3HG1 VAL 55 -35.833 37.022 -36.786 456 1HG2 VAL 55 1HG2 VAL 55 -37.625 33.980 -36.803 457 2HG2 VAL 55 2HG2 VAL 55 -37.479 35.510 -37.667 458 3HG2 VAL 55 3HG2 VAL 55 -36.033 34.582 -37.266 459 HA PRO 56 HA PRO 56 -32.480 32.918 -35.502 460 1HB PRO 56 2HB PRO 56 -33.001 30.898 -37.240 461 2HB PRO 56 3HB PRO 56 -33.131 30.714 -35.487 462 1HG PRO 56 2HG PRO 56 -35.288 31.201 -37.505 463 2HG PRO 56 3HG PRO 56 -35.280 30.093 -36.120 464 1HD PRO 56 2HD PRO 56 -36.520 32.499 -36.055 465 2HD PRO 56 3HD PRO 56 -35.778 31.769 -34.617 466 H GLY 57 H GLY 57 -31.860 34.777 -36.633 467 1HA GLY 57 2HA GLY 57 -32.764 35.355 -39.277 468 2HA GLY 57 3HA GLY 57 -31.399 36.102 -38.460 469 H GLN 58 H GLN 58 -32.419 33.305 -40.344 470 HA GLN 58 HA GLN 58 -29.754 32.305 -40.690 471 1HB GLN 58 2HB GLN 58 -32.426 31.441 -41.303 472 2HB GLN 58 3HB GLN 58 -31.415 31.291 -42.734 473 1HG GLN 58 2HG GLN 58 -29.810 29.959 -41.473 474 2HG GLN 58 3HG GLN 58 -30.810 30.119 -40.029 475 1HE2 GLN 58 1HE2 GLN 58 -31.553 28.140 -39.662 476 2HE2 GLN 58 2HE2 GLN 58 -32.390 27.154 -40.808 Start of MODEL 16 1 1H HIS 2 H HIS 2 11.154 21.001 25.984 2 HA HIS 2 HA HIS 2 12.319 21.617 23.348 3 1HB HIS 2 2HB HIS 2 13.645 21.629 26.066 4 2HB HIS 2 3HB HIS 2 14.503 21.822 24.540 5 HD1 HIS 2 1HD HIS 2 12.592 23.678 27.064 6 HD2 HIS 2 2HD HIS 2 13.862 24.272 23.154 7 HE1 HIS 2 1HE HIS 2 12.347 26.146 26.645 8 H LEU 3 H LEU 3 10.967 19.156 24.310 9 HA LEU 3 HA LEU 3 12.924 17.156 24.790 10 1HB LEU 3 2HB LEU 3 10.080 17.014 23.814 11 2HB LEU 3 3HB LEU 3 11.066 15.589 24.134 12 HG LEU 3 HG LEU 3 10.687 17.599 26.305 13 1HD1 LEU 3 1HD1 LEU 3 8.444 17.084 25.250 14 2HD1 LEU 3 2HD1 LEU 3 8.604 16.718 26.967 15 3HD1 LEU 3 3HD1 LEU 3 8.686 15.419 25.779 16 1HD2 LEU 3 1HD2 LEU 3 10.579 15.297 27.534 17 2HD2 LEU 3 2HD2 LEU 3 12.127 15.941 26.989 18 3HD2 LEU 3 3HD2 LEU 3 11.311 14.692 26.048 19 H MET 4 H MET 4 14.230 16.128 23.424 20 HA MET 4 HA MET 4 13.915 16.633 20.557 21 1HB MET 4 2HB MET 4 16.255 15.579 22.154 22 2HB MET 4 3HB MET 4 16.253 15.768 20.405 23 1HG MET 4 2HG MET 4 15.655 18.087 22.193 24 2HG MET 4 3HG MET 4 17.316 17.600 21.864 25 1HE MET 4 1HE MET 4 16.480 20.246 21.538 26 2HE MET 4 2HE MET 4 16.672 20.849 19.892 27 3HE MET 4 3HE MET 4 15.062 20.477 20.514 28 H TYR 5 H TYR 5 12.319 14.664 22.105 29 HA TYR 5 HA TYR 5 12.530 12.495 20.241 30 1HB TYR 5 2HB TYR 5 12.864 10.724 21.929 31 2HB TYR 5 3HB TYR 5 14.257 11.793 21.810 32 HD1 TYR 5 1HD TYR 5 14.673 13.477 23.594 33 HD2 TYR 5 2HD TYR 5 11.628 10.527 23.954 34 HE1 TYR 5 1HE TYR 5 14.571 13.887 26.018 35 HE2 TYR 5 2HE TYR 5 11.518 10.928 26.379 36 HH TYR 5 HH TYR 5 12.247 13.249 27.894 37 H THR 6 H THR 6 10.522 11.909 19.788 38 HA THR 6 HA THR 6 8.334 12.749 21.465 39 HB THR 6 HB THR 6 6.888 11.781 19.716 40 HG1 THR 6 1HG THR 6 7.739 10.246 18.544 41 1HG2 THR 6 1HG2 THR 6 8.777 13.911 19.389 42 2HG2 THR 6 2HG2 THR 6 7.132 13.781 18.768 43 3HG2 THR 6 3HG2 THR 6 8.480 13.141 17.830 44 H LEU 7 H LEU 7 6.649 11.321 22.221 45 HA LEU 7 HA LEU 7 7.715 8.699 23.019 46 1HB LEU 7 2HB LEU 7 5.548 10.369 24.285 47 2HB LEU 7 3HB LEU 7 6.099 8.799 24.865 48 HG LEU 7 HG LEU 7 7.629 11.394 24.865 49 1HD1 LEU 7 1HD1 LEU 7 7.036 11.570 26.998 50 2HD1 LEU 7 2HD1 LEU 7 7.482 9.898 27.331 51 3HD1 LEU 7 3HD1 LEU 7 5.876 10.274 26.707 52 1HD2 LEU 7 1HD2 LEU 7 8.585 8.650 24.816 53 2HD2 LEU 7 2HD2 LEU 7 9.122 9.533 26.246 54 3HD2 LEU 7 3HD2 LEU 7 9.474 10.163 24.636 55 H GLY 8 H GLY 8 6.071 6.960 23.305 56 1HA GLY 8 2HA GLY 8 4.254 6.988 21.000 57 2HA GLY 8 3HA GLY 8 4.842 5.555 21.829 58 HA PRO 9 HA PRO 9 0.476 6.560 23.201 59 1HB PRO 9 2HB PRO 9 -0.592 4.161 22.510 60 2HB PRO 9 3HB PRO 9 -0.499 5.530 21.394 61 1HG PRO 9 2HG PRO 9 1.295 3.144 21.619 62 2HG PRO 9 3HG PRO 9 0.649 3.924 20.164 63 1HD PRO 9 2HD PRO 9 3.173 4.350 21.046 64 2HD PRO 9 3HD PRO 9 2.232 5.599 20.206 65 H ASP 10 H ASP 10 2.873 4.177 23.783 66 HA ASP 10 HA ASP 10 1.492 3.289 26.226 67 1HB ASP 10 2HB ASP 10 2.313 1.604 24.442 68 2HB ASP 10 3HB ASP 10 3.925 1.957 25.059 69 H GLY 11 H GLY 11 4.149 5.085 25.016 70 1HA GLY 11 2HA GLY 11 5.114 6.652 26.675 71 2HA GLY 11 3HA GLY 11 5.250 5.272 27.754 72 H LYS 12 H LYS 12 5.925 4.518 24.518 73 HA LYS 12 HA LYS 12 8.676 3.986 25.128 74 1HB LYS 12 2HB LYS 12 6.848 2.954 23.347 75 2HB LYS 12 3HB LYS 12 7.917 3.880 22.302 76 1HG LYS 12 2HG LYS 12 9.807 2.641 23.586 77 2HG LYS 12 3HG LYS 12 8.522 1.505 24.002 78 1HD LYS 12 2HD LYS 12 8.041 1.163 21.638 79 2HD LYS 12 3HD LYS 12 9.283 2.339 21.201 80 1HE LYS 12 2HE LYS 12 10.304 0.243 20.928 81 2HE LYS 12 3HE LYS 12 10.911 0.847 22.469 82 1HZ LYS 12 1HZ LYS 12 8.603 -0.561 23.043 83 2HZ LYS 12 2HZ LYS 12 10.194 -1.026 23.376 84 3HZ LYS 12 3HZ LYS 12 9.454 -1.519 21.938 85 H ARG 13 H ARG 13 10.408 5.214 24.739 86 HA ARG 13 HA ARG 13 10.047 7.872 23.698 87 1HB ARG 13 2HB ARG 13 12.675 6.575 24.402 88 2HB ARG 13 3HB ARG 13 12.278 8.288 24.395 89 1HG ARG 13 2HG ARG 13 10.643 7.780 26.257 90 2HG ARG 13 3HG ARG 13 11.405 6.191 26.356 91 1HD ARG 13 2HD ARG 13 13.455 8.158 26.300 92 2HD ARG 13 3HD ARG 13 12.259 8.649 27.499 93 HE ARG 13 HE ARG 13 12.882 6.871 28.809 94 1HH1 ARG 13 2HH1 ARG 13 14.207 6.478 25.614 95 2HH1 ARG 13 1HH1 ARG 13 15.210 5.137 26.053 96 1HH2 ARG 13 2HH2 ARG 13 14.200 5.105 29.400 97 2HH2 ARG 13 1HH2 ARG 13 15.205 4.355 28.207 98 H ILE 14 H ILE 14 11.043 8.764 21.873 99 HA ILE 14 HA ILE 14 12.369 6.949 20.009 100 HB ILE 14 HB ILE 14 9.898 8.531 19.297 101 1HG1 ILE 14 2HG1 ILE 14 10.456 5.559 19.193 102 2HG1 ILE 14 3HG1 ILE 14 9.488 6.366 20.423 103 1HG2 ILE 14 1HG2 ILE 14 10.219 7.621 17.024 104 2HG2 ILE 14 2HG2 ILE 14 11.512 8.717 17.511 105 3HG2 ILE 14 3HG2 ILE 14 11.780 6.975 17.530 106 1HD1 ILE 14 1HD1 ILE 14 7.954 5.442 18.921 107 2HD1 ILE 14 2HD1 ILE 14 8.014 7.157 18.516 108 3HD1 ILE 14 3HD1 ILE 14 8.871 5.984 17.516 109 H TYR 15 H TYR 15 14.126 7.911 19.252 110 HA TYR 15 HA TYR 15 14.614 10.694 19.680 111 1HB TYR 15 2HB TYR 15 16.162 8.495 18.324 112 2HB TYR 15 3HB TYR 15 16.727 10.163 18.320 113 HD1 TYR 15 1HD TYR 15 17.000 7.114 19.964 114 HD2 TYR 15 2HD TYR 15 16.680 11.280 20.768 115 HE1 TYR 15 1HE TYR 15 18.031 6.763 22.170 116 HE2 TYR 15 2HE TYR 15 17.711 10.941 22.974 117 HH TYR 15 HH TYR 15 19.200 9.292 24.076 118 H THR 16 H THR 16 15.546 12.035 17.823 119 HA THR 16 HA THR 16 15.077 13.264 15.960 120 HB THR 16 HB THR 16 15.167 12.152 13.907 121 HG1 THR 16 1HG THR 16 14.151 10.290 13.500 122 1HG2 THR 16 1HG2 THR 16 16.978 11.522 15.742 123 2HG2 THR 16 2HG2 THR 16 17.005 10.808 14.130 124 3HG2 THR 16 3HG2 THR 16 16.319 9.908 15.482 125 H LEU 17 H LEU 17 12.850 12.593 17.797 126 HA LEU 17 HA LEU 17 10.556 12.596 17.901 127 1HB LEU 17 2HB LEU 17 9.590 14.523 16.905 128 2HB LEU 17 3HB LEU 17 11.233 14.939 17.387 129 HG LEU 17 HG LEU 17 10.842 14.067 14.583 130 1HD1 LEU 17 1HD1 LEU 17 10.121 16.318 13.910 131 2HD1 LEU 17 2HD1 LEU 17 9.904 16.743 15.608 132 3HD1 LEU 17 3HD1 LEU 17 8.904 15.487 14.879 133 1HD2 LEU 17 1HD2 LEU 17 12.269 16.510 14.960 134 2HD2 LEU 17 2HD2 LEU 17 12.875 14.942 14.428 135 3HD2 LEU 17 3HD2 LEU 17 12.822 15.331 16.147 136 H LYS 18 H LYS 18 11.480 10.500 16.268 137 HA LYS 18 HA LYS 18 9.988 10.444 13.816 138 1HB LYS 18 2HB LYS 18 12.166 9.128 14.568 139 2HB LYS 18 3HB LYS 18 10.982 7.943 15.104 140 1HG LYS 18 2HG LYS 18 10.062 8.407 12.628 141 2HG LYS 18 3HG LYS 18 11.779 8.731 12.378 142 1HD LYS 18 2HD LYS 18 12.338 6.542 13.287 143 2HD LYS 18 3HD LYS 18 10.631 6.220 13.601 144 1HE LYS 18 2HE LYS 18 11.792 6.765 10.872 145 2HE LYS 18 3HE LYS 18 11.508 5.153 11.527 146 1HZ LYS 18 1HZ LYS 18 9.629 5.603 10.259 147 2HZ LYS 18 2HZ LYS 18 9.525 7.210 10.779 148 3HZ LYS 18 3HZ LYS 18 9.122 5.951 11.835 149 H LYS 19 H LYS 19 8.054 11.126 15.341 150 HA LYS 19 HA LYS 19 6.714 9.215 16.879 151 1HB LYS 19 2HB LYS 19 4.772 10.622 16.686 152 2HB LYS 19 3HB LYS 19 6.191 11.650 16.827 153 1HG LYS 19 2HG LYS 19 6.144 11.783 14.284 154 2HG LYS 19 3HG LYS 19 4.523 11.094 14.399 155 1HD LYS 19 2HD LYS 19 3.895 12.959 15.912 156 2HD LYS 19 3HD LYS 19 5.488 13.669 15.642 157 1HE LYS 19 2HE LYS 19 3.642 13.005 13.369 158 2HE LYS 19 3HE LYS 19 3.535 14.539 14.232 159 1HZ LYS 19 1HZ LYS 19 5.147 14.037 12.117 160 2HZ LYS 19 2HZ LYS 19 6.209 13.870 13.422 161 3HZ LYS 19 3HZ LYS 19 5.346 15.309 13.214 162 H VAL 20 H VAL 20 6.840 9.711 13.427 163 HA VAL 20 HA VAL 20 4.592 8.290 12.608 164 HB VAL 20 HB VAL 20 7.278 8.416 11.229 165 1HG1 VAL 20 1HG1 VAL 20 5.498 8.245 9.234 166 2HG1 VAL 20 2HG1 VAL 20 6.273 6.835 9.959 167 3HG1 VAL 20 3HG1 VAL 20 4.649 7.306 10.462 168 1HG2 VAL 20 1HG2 VAL 20 6.819 10.600 11.091 169 2HG2 VAL 20 2HG2 VAL 20 5.573 10.135 9.931 170 3HG2 VAL 20 3HG2 VAL 20 5.154 10.374 11.628 171 H THR 21 H THR 21 4.047 6.204 12.604 172 HA THR 21 HA THR 21 6.152 4.209 13.125 173 HB THR 21 HB THR 21 4.728 4.554 15.121 174 HG1 THR 21 1HG THR 21 5.610 2.479 14.732 175 1HG2 THR 21 1HG2 THR 21 2.391 3.832 15.080 176 2HG2 THR 21 2HG2 THR 21 2.505 3.540 13.344 177 3HG2 THR 21 3HG2 THR 21 2.653 5.180 13.975 178 H GLU 22 H GLU 22 5.722 2.059 12.311 179 HA GLU 22 HA GLU 22 4.631 2.112 9.675 180 1HB GLU 22 2HB GLU 22 6.570 0.655 10.764 181 2HB GLU 22 3HB GLU 22 5.246 -0.470 11.032 182 1HG GLU 22 2HG GLU 22 4.771 -0.004 8.489 183 2HG GLU 22 3HG GLU 22 6.476 0.443 8.487 184 H SER 23 H SER 23 2.559 1.937 9.178 185 HA SER 23 HA SER 23 0.597 1.093 11.072 186 1HB SER 23 2HB SER 23 0.062 2.817 9.435 187 2HB SER 23 3HB SER 23 0.359 1.690 8.113 188 HG SER 23 HG SER 23 -1.873 2.042 9.594 189 H GLY 24 H GLY 24 2.378 -0.454 8.529 190 1HA GLY 24 2HA GLY 24 2.419 -2.620 7.770 191 2HA GLY 24 3HA GLY 24 1.782 -3.048 9.352 192 H GLU 25 H GLU 25 0.082 -0.966 7.107 193 HA GLU 25 HA GLU 25 -2.069 -2.947 6.994 194 1HB GLU 25 2HB GLU 25 -3.522 -1.156 6.368 195 2HB GLU 25 3HB GLU 25 -2.537 -0.588 7.710 196 1HG GLU 25 2HG GLU 25 -1.007 0.362 5.838 197 2HG GLU 25 3HG GLU 25 -2.447 0.195 4.836 198 H ILE 26 H ILE 26 -3.312 -3.014 4.882 199 HA ILE 26 HA ILE 26 -1.750 -4.072 2.862 200 HB ILE 26 HB ILE 26 -4.218 -4.381 3.105 201 1HG1 ILE 26 2HG1 ILE 26 -4.663 -4.479 0.668 202 2HG1 ILE 26 3HG1 ILE 26 -3.226 -3.503 0.383 203 1HG2 ILE 26 1HG2 ILE 26 -4.407 -1.727 1.692 204 2HG2 ILE 26 2HG2 ILE 26 -5.741 -2.766 2.190 205 3HG2 ILE 26 3HG2 ILE 26 -4.740 -1.974 3.406 206 1HD1 ILE 26 1HD1 ILE 26 -3.040 -6.093 1.861 207 2HD1 ILE 26 2HD1 ILE 26 -3.080 -6.050 0.097 208 3HD1 ILE 26 3HD1 ILE 26 -1.791 -5.221 0.970 209 H THR 27 H THR 27 -0.998 -3.329 0.884 210 HA THR 27 HA THR 27 -0.175 -0.587 0.832 211 HB THR 27 HB THR 27 0.813 -1.189 -1.398 212 HG1 THR 27 1HG THR 27 -0.416 -2.838 -2.153 213 1HG2 THR 27 1HG2 THR 27 2.523 -1.560 -0.002 214 2HG2 THR 27 2HG2 THR 27 2.106 -3.269 -0.119 215 3HG2 THR 27 3HG2 THR 27 1.475 -2.298 1.210 216 H LYS 28 H LYS 28 -0.851 1.061 -0.476 217 HA LYS 28 HA LYS 28 -3.521 1.141 -1.292 218 1HB LYS 28 2HB LYS 28 -2.944 3.258 -2.393 219 2HB LYS 28 3HB LYS 28 -2.243 3.156 -0.784 220 1HG LYS 28 2HG LYS 28 -0.107 2.397 -1.898 221 2HG LYS 28 3HG LYS 28 -0.853 2.860 -3.430 222 1HD LYS 28 2HD LYS 28 0.422 4.726 -2.760 223 2HD LYS 28 3HD LYS 28 -1.251 5.137 -2.375 224 1HE LYS 28 2HE LYS 28 -0.921 4.899 -0.098 225 2HE LYS 28 3HE LYS 28 0.475 3.843 -0.307 226 1HZ LYS 28 1HZ LYS 28 1.142 6.024 0.467 227 2HZ LYS 28 2HZ LYS 28 0.408 6.760 -0.867 228 3HZ LYS 28 3HZ LYS 28 1.747 5.751 -1.089 229 H SER 29 H SER 29 -4.315 1.574 -3.517 230 HA SER 29 HA SER 29 -3.106 -0.347 -5.372 231 1HB SER 29 2HB SER 29 -5.860 0.910 -5.337 232 2HB SER 29 3HB SER 29 -5.296 -0.236 -6.552 233 HG SER 29 HG SER 29 -5.903 -1.724 -5.214 234 H ALA 30 H ALA 30 -3.222 0.206 -7.715 235 HA ALA 30 HA ALA 30 -1.878 2.660 -8.200 236 1HB ALA 30 1HB ALA 30 -1.292 1.680 -10.111 237 2HB ALA 30 2HB ALA 30 -2.165 0.257 -9.542 238 3HB ALA 30 3HB ALA 30 -2.973 1.427 -10.584 239 H HIS 31 H HIS 31 -5.064 1.474 -9.289 240 HA HIS 31 HA HIS 31 -5.837 4.258 -9.826 241 1HB HIS 31 2HB HIS 31 -6.631 1.631 -10.983 242 2HB HIS 31 3HB HIS 31 -7.852 2.899 -10.927 243 HD1 HIS 31 1HD HIS 31 -6.581 5.348 -11.841 244 HD2 HIS 31 2HD HIS 31 -5.454 1.666 -13.401 245 HE1 HIS 31 1HE HIS 31 -5.511 5.857 -14.059 246 HA PRO 32 HA PRO 32 -8.762 4.391 -6.562 247 1HB PRO 32 2HB PRO 32 -10.851 5.704 -7.696 248 2HB PRO 32 3HB PRO 32 -9.328 6.499 -7.278 249 1HG PRO 32 2HG PRO 32 -10.273 5.486 -9.933 250 2HG PRO 32 3HG PRO 32 -9.443 7.005 -9.545 251 1HD PRO 32 2HD PRO 32 -8.152 4.864 -10.587 252 2HD PRO 32 3HD PRO 32 -7.370 6.000 -9.468 253 H ALA 33 H ALA 33 -9.701 2.920 -9.567 254 HA ALA 33 HA ALA 33 -11.125 1.220 -10.080 255 1HB ALA 33 1HB ALA 33 -9.964 0.104 -8.218 256 2HB ALA 33 2HB ALA 33 -11.174 0.738 -7.103 257 3HB ALA 33 3HB ALA 33 -11.647 -0.403 -8.362 258 H ARG 34 H ARG 34 -12.215 3.815 -9.776 259 HA ARG 34 HA ARG 34 -14.684 3.627 -8.309 260 1HB ARG 34 2HB ARG 34 -13.422 5.677 -10.093 261 2HB ARG 34 3HB ARG 34 -15.129 5.806 -9.691 262 1HG ARG 34 2HG ARG 34 -13.172 5.431 -7.484 263 2HG ARG 34 3HG ARG 34 -13.295 7.013 -8.257 264 1HD ARG 34 2HD ARG 34 -15.874 6.609 -7.889 265 2HD ARG 34 3HD ARG 34 -15.294 5.527 -6.624 266 HE ARG 34 HE ARG 34 -15.215 8.403 -6.621 267 1HH1 ARG 34 2HH1 ARG 34 -13.812 5.491 -5.326 268 2HH1 ARG 34 1HH1 ARG 34 -13.222 6.260 -3.890 269 1HH2 ARG 34 2HH2 ARG 34 -14.444 9.425 -4.734 270 2HH2 ARG 34 1HH2 ARG 34 -13.584 8.496 -3.553 271 H PHE 35 H PHE 35 -15.928 1.987 -9.120 272 HA PHE 35 HA PHE 35 -17.343 2.536 -11.559 273 1HB PHE 35 2HB PHE 35 -16.795 0.504 -12.737 274 2HB PHE 35 3HB PHE 35 -15.299 1.357 -12.373 275 HD1 PHE 35 1HD PHE 35 -17.203 -1.666 -11.918 276 HD2 PHE 35 2HD PHE 35 -13.857 0.554 -10.505 277 HE1 PHE 35 1HE PHE 35 -16.321 -3.691 -10.834 278 HE2 PHE 35 2HE PHE 35 -12.969 -1.467 -9.420 279 HZ PHE 35 HZ PHE 35 -14.200 -3.593 -9.584 280 H SER 36 H SER 36 -19.323 1.518 -11.649 281 HA SER 36 HA SER 36 -20.558 0.774 -9.296 282 1HB SER 36 2HB SER 36 -21.219 0.453 -12.183 283 2HB SER 36 3HB SER 36 -22.170 -0.472 -11.022 284 HG SER 36 HG SER 36 -22.164 2.221 -11.541 285 HA PRO 37 HA PRO 37 -19.558 -3.408 -8.429 286 1HB PRO 37 2HB PRO 37 -21.938 -4.422 -7.605 287 2HB PRO 37 3HB PRO 37 -20.993 -3.281 -6.639 288 1HG PRO 37 2HG PRO 37 -23.357 -2.767 -8.404 289 2HG PRO 37 3HG PRO 37 -23.001 -2.118 -6.791 290 1HD PRO 37 2HD PRO 37 -22.572 -0.702 -9.060 291 2HD PRO 37 3HD PRO 37 -21.556 -0.523 -7.615 292 H ASP 38 H ASP 38 -22.520 -3.034 -10.357 293 HA ASP 38 HA ASP 38 -21.585 -5.008 -12.242 294 1HB ASP 38 2HB ASP 38 -22.891 -6.143 -10.243 295 2HB ASP 38 3HB ASP 38 -24.301 -5.577 -11.134 296 H ASP 39 H ASP 39 -22.708 -4.958 -14.221 297 HA ASP 39 HA ASP 39 -23.982 -2.435 -14.765 298 1HB ASP 39 2HB ASP 39 -23.138 -4.780 -16.445 299 2HB ASP 39 3HB ASP 39 -24.162 -3.517 -17.122 300 H LYS 40 H LYS 40 -24.994 -5.655 -14.091 301 HA LYS 40 HA LYS 40 -27.530 -5.597 -15.350 302 1HB LYS 40 2HB LYS 40 -26.215 -7.272 -13.269 303 2HB LYS 40 3HB LYS 40 -27.968 -7.347 -13.385 304 1HG LYS 40 2HG LYS 40 -27.468 -9.012 -14.828 305 2HG LYS 40 3HG LYS 40 -27.387 -7.662 -15.962 306 1HD LYS 40 2HD LYS 40 -24.924 -7.528 -15.458 307 2HD LYS 40 3HD LYS 40 -25.097 -9.043 -14.570 308 1HE LYS 40 2HE LYS 40 -24.396 -9.712 -16.692 309 2HE LYS 40 3HE LYS 40 -26.142 -9.959 -16.727 310 1HZ LYS 40 1HZ LYS 40 -26.160 -8.706 -18.539 311 2HZ LYS 40 2HZ LYS 40 -24.537 -8.267 -18.349 312 3HZ LYS 40 3HZ LYS 40 -25.751 -7.375 -17.579 313 H TYR 41 H TYR 41 -26.340 -4.417 -12.290 314 HA TYR 41 HA TYR 41 -28.720 -4.128 -10.881 315 1HB TYR 41 2HB TYR 41 -26.052 -2.833 -10.806 316 2HB TYR 41 3HB TYR 41 -27.364 -1.976 -10.005 317 HD1 TYR 41 1HD TYR 41 -26.191 -5.525 -10.249 318 HD2 TYR 41 2HD TYR 41 -27.497 -2.346 -7.740 319 HE1 TYR 41 1HE TYR 41 -25.929 -6.978 -8.282 320 HE2 TYR 41 2HE TYR 41 -27.237 -3.790 -5.766 321 HH TYR 41 HH TYR 41 -25.588 -6.753 -5.860 322 H SER 42 H SER 42 -27.491 -2.352 -13.582 323 HA SER 42 HA SER 42 -29.187 -0.060 -13.222 324 1HB SER 42 2HB SER 42 -26.976 -0.036 -14.445 325 2HB SER 42 3HB SER 42 -27.770 -0.911 -15.754 326 HG SER 42 HG SER 42 -27.664 1.553 -15.736 327 H ARG 43 H ARG 43 -31.323 -0.354 -13.339 328 HA ARG 43 HA ARG 43 -32.542 -2.353 -14.978 329 1HB ARG 43 2HB ARG 43 -33.463 -1.475 -12.799 330 2HB ARG 43 3HB ARG 43 -33.894 -0.000 -13.656 331 1HG ARG 43 2HG ARG 43 -35.097 -1.713 -15.268 332 2HG ARG 43 3HG ARG 43 -35.094 -2.708 -13.810 333 1HD ARG 43 2HD ARG 43 -36.084 0.133 -13.843 334 2HD ARG 43 3HD ARG 43 -37.131 -1.244 -14.182 335 HE ARG 43 HE ARG 43 -35.682 -1.476 -11.711 336 1HH1 ARG 43 2HH1 ARG 43 -38.545 -0.222 -13.245 337 2HH1 ARG 43 1HH1 ARG 43 -39.471 -0.184 -11.782 338 1HH2 ARG 43 2HH2 ARG 43 -36.892 -1.432 -9.777 339 2HH2 ARG 43 1HH2 ARG 43 -38.530 -0.873 -9.810 340 H GLN 44 H GLN 44 -31.705 0.984 -15.385 341 HA GLN 44 HA GLN 44 -33.472 1.750 -17.396 342 1HB GLN 44 2HB GLN 44 -31.643 3.099 -16.109 343 2HB GLN 44 3HB GLN 44 -30.604 2.623 -17.446 344 1HG GLN 44 2HG GLN 44 -31.383 4.685 -18.115 345 2HG GLN 44 3HG GLN 44 -32.473 3.574 -18.942 346 1HE2 GLN 44 1HE2 GLN 44 -33.726 5.643 -19.004 347 2HE2 GLN 44 2HE2 GLN 44 -34.800 5.954 -17.687 348 H ARG 45 H ARG 45 -30.794 -0.423 -17.486 349 HA ARG 45 HA ARG 45 -30.042 -0.328 -20.156 350 1HB ARG 45 2HB ARG 45 -28.943 -1.669 -18.344 351 2HB ARG 45 3HB ARG 45 -30.255 -2.832 -18.480 352 1HG ARG 45 2HG ARG 45 -28.847 -2.154 -20.982 353 2HG ARG 45 3HG ARG 45 -27.932 -3.069 -19.781 354 1HD ARG 45 2HD ARG 45 -29.290 -4.903 -19.943 355 2HD ARG 45 3HD ARG 45 -30.699 -3.952 -20.410 356 HE ARG 45 HE ARG 45 -30.139 -4.316 -22.586 357 1HH1 ARG 45 2HH1 ARG 45 -27.293 -4.749 -20.629 358 2HH1 ARG 45 1HH1 ARG 45 -26.301 -5.264 -21.954 359 1HH2 ARG 45 2HH2 ARG 45 -28.845 -4.992 -24.338 360 2HH2 ARG 45 1HH2 ARG 45 -27.185 -5.400 -24.063 361 H VAL 46 H VAL 46 -32.930 -1.570 -18.703 362 HA VAL 46 HA VAL 46 -33.824 -3.408 -20.560 363 HB VAL 46 HB VAL 46 -35.016 -2.941 -18.472 364 1HG1 VAL 46 1HG1 VAL 46 -36.296 -0.532 -19.677 365 2HG1 VAL 46 2HG1 VAL 46 -36.109 -0.981 -17.980 366 3HG1 VAL 46 3HG1 VAL 46 -34.726 -0.370 -18.888 367 1HG2 VAL 46 1HG2 VAL 46 -36.116 -3.622 -20.886 368 2HG2 VAL 46 2HG2 VAL 46 -36.928 -3.739 -19.324 369 3HG2 VAL 46 3HG2 VAL 46 -37.173 -2.319 -20.342 370 H THR 47 H THR 47 -33.834 0.101 -20.733 371 HA THR 47 HA THR 47 -35.338 0.110 -23.216 372 HB THR 47 HB THR 47 -34.399 2.666 -22.944 373 HG1 THR 47 1HG THR 47 -34.949 1.771 -20.302 374 1HG2 THR 47 1HG2 THR 47 -36.728 1.997 -23.312 375 2HG2 THR 47 2HG2 THR 47 -36.605 3.184 -22.014 376 3HG2 THR 47 3HG2 THR 47 -36.848 1.481 -21.631 377 H LEU 48 H LEU 48 -34.309 -0.462 -25.018 378 HA LEU 48 HA LEU 48 -31.875 0.918 -25.762 379 1HB LEU 48 2HB LEU 48 -32.000 -2.062 -25.390 380 2HB LEU 48 3HB LEU 48 -30.804 -1.286 -26.425 381 HG LEU 48 HG LEU 48 -31.103 -0.783 -23.465 382 1HD1 LEU 48 1HD1 LEU 48 -29.298 -2.219 -23.085 383 2HD1 LEU 48 2HD1 LEU 48 -28.884 -2.301 -24.798 384 3HD1 LEU 48 3HD1 LEU 48 -30.336 -3.106 -24.202 385 1HD2 LEU 48 1HD2 LEU 48 -30.167 1.098 -24.736 386 2HD2 LEU 48 2HD2 LEU 48 -28.941 0.024 -25.409 387 3HD2 LEU 48 3HD2 LEU 48 -28.968 0.356 -23.676 388 H LYS 49 H LYS 49 -32.689 1.781 -27.582 389 HA LYS 49 HA LYS 49 -33.663 1.968 -29.636 390 1HB LYS 49 2HB LYS 49 -31.606 0.199 -29.805 391 2HB LYS 49 3HB LYS 49 -32.929 -0.779 -30.431 392 1HG LYS 49 2HG LYS 49 -32.134 1.934 -31.469 393 2HG LYS 49 3HG LYS 49 -31.697 0.389 -32.201 394 1HD LYS 49 2HD LYS 49 -34.555 1.186 -31.713 395 2HD LYS 49 3HD LYS 49 -33.697 1.617 -33.194 396 1HE LYS 49 2HE LYS 49 -33.882 -1.213 -32.195 397 2HE LYS 49 3HE LYS 49 -35.100 -0.502 -33.253 398 1HZ LYS 49 1HZ LYS 49 -33.070 -1.805 -34.222 399 2HZ LYS 49 2HZ LYS 49 -32.284 -0.318 -34.046 400 3HZ LYS 49 3HZ LYS 49 -33.670 -0.433 -35.010 401 H LYS 50 H LYS 50 -35.465 1.162 -27.676 402 HA LYS 50 HA LYS 50 -36.982 -1.109 -28.271 403 1HB LYS 50 2HB LYS 50 -38.696 -0.162 -26.910 404 2HB LYS 50 3HB LYS 50 -37.158 0.325 -26.209 405 1HG LYS 50 2HG LYS 50 -38.113 2.352 -26.152 406 2HG LYS 50 3HG LYS 50 -37.631 2.416 -27.848 407 1HD LYS 50 2HD LYS 50 -39.832 2.952 -28.085 408 2HD LYS 50 3HD LYS 50 -39.971 1.195 -28.158 409 1HE LYS 50 2HE LYS 50 -40.117 2.566 -25.512 410 2HE LYS 50 3HE LYS 50 -41.522 2.596 -26.577 411 1HZ LYS 50 1HZ LYS 50 -41.914 0.699 -25.400 412 2HZ LYS 50 2HZ LYS 50 -40.276 0.322 -25.209 413 3HZ LYS 50 3HZ LYS 50 -41.040 0.045 -26.692 414 H ARG 51 H ARG 51 -39.041 -1.301 -29.321 415 HA ARG 51 HA ARG 51 -39.841 0.791 -31.163 416 1HB ARG 51 2HB ARG 51 -38.027 -0.665 -32.265 417 2HB ARG 51 3HB ARG 51 -39.248 -1.930 -32.303 418 1HG ARG 51 2HG ARG 51 -40.616 -0.716 -33.774 419 2HG ARG 51 3HG ARG 51 -39.732 0.784 -33.487 420 1HD ARG 51 2HD ARG 51 -37.900 0.085 -34.754 421 2HD ARG 51 3HD ARG 51 -38.375 -1.611 -34.672 422 HE ARG 51 HE ARG 51 -39.636 -1.284 -36.541 423 1HH1 ARG 51 2HH1 ARG 51 -39.068 1.803 -35.035 424 2HH1 ARG 51 1HH1 ARG 51 -39.823 2.708 -36.304 425 1HH2 ARG 51 2HH2 ARG 51 -40.633 -0.103 -38.219 426 2HH2 ARG 51 1HH2 ARG 51 -40.714 1.622 -38.115 427 H PHE 52 H PHE 52 -41.909 0.377 -32.160 428 HA PHE 52 HA PHE 52 -43.726 -0.908 -30.393 429 1HB PHE 52 2HB PHE 52 -44.057 0.338 -33.119 430 2HB PHE 52 3HB PHE 52 -45.402 -0.374 -32.235 431 HD1 PHE 52 1HD PHE 52 -43.157 2.455 -32.520 432 HD2 PHE 52 2HD PHE 52 -46.158 0.628 -30.117 433 HE1 PHE 52 1HE PHE 52 -43.476 4.575 -31.313 434 HE2 PHE 52 2HE PHE 52 -46.482 2.745 -28.907 435 HZ PHE 52 HZ PHE 52 -45.142 4.722 -29.505 436 H GLY 53 H GLY 53 -43.328 -1.507 -33.888 437 1HA GLY 53 2HA GLY 53 -42.954 -3.582 -34.927 438 2HA GLY 53 3HA GLY 53 -43.238 -4.380 -33.388 439 H LEU 54 H LEU 54 -45.509 -4.362 -32.593 440 HA LEU 54 HA LEU 54 -47.243 -5.307 -34.643 441 1HB LEU 54 2HB LEU 54 -47.408 -4.938 -31.699 442 2HB LEU 54 3HB LEU 54 -48.914 -5.125 -32.595 443 HG LEU 54 HG LEU 54 -48.199 -7.249 -31.671 444 1HD1 LEU 54 1HD1 LEU 54 -49.312 -7.100 -33.923 445 2HD1 LEU 54 2HD1 LEU 54 -48.393 -8.574 -33.625 446 3HD1 LEU 54 3HD1 LEU 54 -47.712 -7.303 -34.639 447 1HD2 LEU 54 1HD2 LEU 54 -46.128 -8.316 -32.396 448 2HD2 LEU 54 2HD2 LEU 54 -45.801 -6.804 -31.547 449 3HD2 LEU 54 3HD2 LEU 54 -45.694 -6.870 -33.308 450 H VAL 55 H VAL 55 -48.922 -4.343 -35.655 451 HA VAL 55 HA VAL 55 -49.789 -1.689 -34.770 452 HB VAL 55 HB VAL 55 -49.047 -2.254 -37.642 453 1HG1 VAL 55 1HG1 VAL 55 -49.153 0.453 -37.322 454 2HG1 VAL 55 2HG1 VAL 55 -50.461 -0.543 -37.964 455 3HG1 VAL 55 3HG1 VAL 55 -50.451 -0.089 -36.259 456 1HG2 VAL 55 1HG2 VAL 55 -47.011 -2.174 -36.399 457 2HG2 VAL 55 2HG2 VAL 55 -47.194 -0.623 -37.219 458 3HG2 VAL 55 3HG2 VAL 55 -47.551 -0.757 -35.497 459 HA PRO 56 HA PRO 56 -53.289 -4.495 -35.980 460 1HB PRO 56 2HB PRO 56 -54.780 -3.970 -33.774 461 2HB PRO 56 3HB PRO 56 -53.544 -5.232 -33.819 462 1HG PRO 56 2HG PRO 56 -53.377 -2.455 -32.713 463 2HG PRO 56 3HG PRO 56 -52.772 -3.973 -32.023 464 1HD PRO 56 2HD PRO 56 -51.164 -2.218 -33.315 465 2HD PRO 56 3HD PRO 56 -50.886 -3.970 -33.349 466 H GLY 57 H GLY 57 -55.301 -3.887 -36.784 467 1HA GLY 57 2HA GLY 57 -56.972 -1.888 -36.417 468 2HA GLY 57 3HA GLY 57 -55.637 -1.002 -37.138 469 H GLN 58 H GLN 58 -58.152 -3.360 -37.683 470 HA GLN 58 HA GLN 58 -57.496 -3.770 -40.450 471 1HB GLN 58 2HB GLN 58 -59.395 -4.839 -38.528 472 2HB GLN 58 3HB GLN 58 -60.145 -4.547 -40.091 473 1HG GLN 58 2HG GLN 58 -59.312 -6.816 -39.940 474 2HG GLN 58 3HG GLN 58 -58.440 -5.909 -41.175 475 1HE2 GLN 58 1HE2 GLN 58 -56.294 -5.835 -41.077 476 2HE2 GLN 58 2HE2 GLN 58 -55.334 -6.403 -39.758 Start of MODEL 17 1 1H HIS 2 H HIS 2 10.558 21.123 25.358 2 HA HIS 2 HA HIS 2 13.046 21.615 23.865 3 1HB HIS 2 2HB HIS 2 12.625 21.529 26.844 4 2HB HIS 2 3HB HIS 2 14.199 21.179 26.134 5 HD1 HIS 2 1HD HIS 2 14.613 23.295 24.113 6 HD2 HIS 2 2HD HIS 2 12.724 24.071 27.731 7 HE1 HIS 2 1HE HIS 2 14.859 25.770 24.483 8 H LEU 3 H LEU 3 11.038 19.504 23.612 9 HA LEU 3 HA LEU 3 12.295 17.140 24.734 10 1HB LEU 3 2HB LEU 3 9.979 17.286 22.815 11 2HB LEU 3 3HB LEU 3 10.450 15.919 23.823 12 HG LEU 3 HG LEU 3 9.327 18.541 24.810 13 1HD1 LEU 3 1HD1 LEU 3 7.520 17.433 23.873 14 2HD1 LEU 3 2HD1 LEU 3 7.476 16.903 25.554 15 3HD1 LEU 3 3HD1 LEU 3 8.138 15.841 24.312 16 1HD2 LEU 3 1HD2 LEU 3 9.878 16.026 26.371 17 2HD2 LEU 3 2HD2 LEU 3 9.349 17.590 26.991 18 3HD2 LEU 3 3HD2 LEU 3 10.973 17.408 26.326 19 H MET 4 H MET 4 13.630 15.794 23.685 20 HA MET 4 HA MET 4 14.132 16.328 20.832 21 1HB MET 4 2HB MET 4 15.925 15.723 23.118 22 2HB MET 4 3HB MET 4 16.349 15.001 21.571 23 1HG MET 4 2HG MET 4 16.235 17.281 20.564 24 2HG MET 4 3HG MET 4 16.029 17.924 22.192 25 1HE MET 4 1HE MET 4 17.418 18.221 23.779 26 2HE MET 4 2HE MET 4 19.043 17.581 24.027 27 3HE MET 4 3HE MET 4 18.811 19.063 23.098 28 H TYR 5 H TYR 5 12.173 14.468 22.162 29 HA TYR 5 HA TYR 5 12.575 12.252 20.407 30 1HB TYR 5 2HB TYR 5 12.728 10.494 22.095 31 2HB TYR 5 3HB TYR 5 14.094 11.595 22.234 32 HD1 TYR 5 1HD TYR 5 13.885 13.474 24.007 33 HD2 TYR 5 2HD TYR 5 11.453 9.984 23.972 34 HE1 TYR 5 1HE TYR 5 13.370 13.818 26.386 35 HE2 TYR 5 2HE TYR 5 10.929 10.319 26.353 36 HH TYR 5 HH TYR 5 12.614 12.586 28.303 37 H THR 6 H THR 6 10.643 11.526 19.798 38 HA THR 6 HA THR 6 8.273 12.533 21.094 39 HB THR 6 HB THR 6 7.096 11.177 19.279 40 HG1 THR 6 1HG THR 6 8.292 10.018 17.964 41 1HG2 THR 6 1HG2 THR 6 8.900 12.946 17.796 42 2HG2 THR 6 2HG2 THR 6 8.212 13.676 19.246 43 3HG2 THR 6 3HG2 THR 6 7.150 13.024 17.999 44 H LEU 7 H LEU 7 6.703 11.371 22.157 45 HA LEU 7 HA LEU 7 7.523 8.705 23.075 46 1HB LEU 7 2HB LEU 7 5.578 10.688 24.242 47 2HB LEU 7 3HB LEU 7 5.891 9.085 24.905 48 HG LEU 7 HG LEU 7 7.804 11.411 24.771 49 1HD1 LEU 7 1HD1 LEU 7 6.328 11.700 26.583 50 2HD1 LEU 7 2HD1 LEU 7 7.794 11.002 27.270 51 3HD1 LEU 7 3HD1 LEU 7 6.378 9.986 27.000 52 1HD2 LEU 7 1HD2 LEU 7 8.947 9.416 26.310 53 2HD2 LEU 7 2HD2 LEU 7 9.438 9.901 24.687 54 3HD2 LEU 7 3HD2 LEU 7 8.312 8.560 24.903 55 H GLY 8 H GLY 8 6.132 6.952 22.998 56 1HA GLY 8 2HA GLY 8 4.053 7.146 20.968 57 2HA GLY 8 3HA GLY 8 4.700 5.666 21.660 58 HA PRO 9 HA PRO 9 0.468 6.374 23.421 59 1HB PRO 9 2HB PRO 9 -0.376 3.823 23.036 60 2HB PRO 9 3HB PRO 9 -0.509 5.076 21.795 61 1HG PRO 9 2HG PRO 9 1.546 2.921 22.098 62 2HG PRO 9 3HG PRO 9 0.722 3.484 20.632 63 1HD PRO 9 2HD PRO 9 3.239 4.250 21.274 64 2HD PRO 9 3HD PRO 9 2.112 5.307 20.399 65 H ASP 10 H ASP 10 2.907 3.886 23.878 66 HA ASP 10 HA ASP 10 1.955 3.482 26.634 67 1HB ASP 10 2HB ASP 10 2.146 1.481 25.075 68 2HB ASP 10 3HB ASP 10 3.891 1.715 25.137 69 H GLY 11 H GLY 11 3.675 5.685 25.527 70 1HA GLY 11 2HA GLY 11 5.333 6.966 26.519 71 2HA GLY 11 3HA GLY 11 5.611 5.662 27.663 72 H LYS 12 H LYS 12 5.628 4.827 24.333 73 HA LYS 12 HA LYS 12 8.298 3.889 24.441 74 1HB LYS 12 2HB LYS 12 6.358 4.267 22.163 75 2HB LYS 12 3HB LYS 12 7.970 3.602 21.931 76 1HG LYS 12 2HG LYS 12 7.274 1.917 23.769 77 2HG LYS 12 3HG LYS 12 5.632 2.428 23.371 78 1HD LYS 12 2HD LYS 12 6.033 0.544 22.020 79 2HD LYS 12 3HD LYS 12 6.235 1.932 20.947 80 1HE LYS 12 2HE LYS 12 8.104 0.733 20.402 81 2HE LYS 12 3HE LYS 12 8.749 1.723 21.711 82 1HZ LYS 12 1HZ LYS 12 9.020 -0.907 21.620 83 2HZ LYS 12 2HZ LYS 12 7.563 -0.822 22.476 84 3HZ LYS 12 3HZ LYS 12 8.942 -0.046 23.074 85 H ARG 13 H ARG 13 9.966 5.248 24.604 86 HA ARG 13 HA ARG 13 9.949 7.896 23.553 87 1HB ARG 13 2HB ARG 13 12.386 6.342 24.413 88 2HB ARG 13 3HB ARG 13 12.165 8.086 24.408 89 1HG ARG 13 2HG ARG 13 10.492 7.876 26.182 90 2HG ARG 13 3HG ARG 13 10.736 6.129 26.194 91 1HD ARG 13 2HD ARG 13 13.237 6.768 26.568 92 2HD ARG 13 3HD ARG 13 12.566 8.308 27.100 93 HE ARG 13 HE ARG 13 12.445 5.787 28.485 94 1HH1 ARG 13 2HH1 ARG 13 11.004 8.933 28.106 95 2HH1 ARG 13 1HH1 ARG 13 10.293 8.942 29.686 96 1HH2 ARG 13 2HH2 ARG 13 11.514 5.786 30.567 97 2HH2 ARG 13 1HH2 ARG 13 10.584 7.151 31.086 98 H ILE 14 H ILE 14 11.019 8.747 21.789 99 HA ILE 14 HA ILE 14 12.448 6.940 20.000 100 HB ILE 14 HB ILE 14 10.056 8.550 19.099 101 1HG1 ILE 14 2HG1 ILE 14 10.505 5.558 19.127 102 2HG1 ILE 14 3HG1 ILE 14 9.509 6.436 20.281 103 1HG2 ILE 14 1HG2 ILE 14 12.367 7.641 17.676 104 2HG2 ILE 14 2HG2 ILE 14 10.935 6.800 17.083 105 3HG2 ILE 14 3HG2 ILE 14 10.985 8.563 17.084 106 1HD1 ILE 14 1HD1 ILE 14 8.948 5.649 17.509 107 2HD1 ILE 14 2HD1 ILE 14 7.861 5.844 18.883 108 3HD1 ILE 14 3HD1 ILE 14 8.398 7.257 17.976 109 H TYR 15 H TYR 15 14.331 7.962 19.800 110 HA TYR 15 HA TYR 15 14.862 10.640 20.207 111 1HB TYR 15 2HB TYR 15 16.358 8.872 18.267 112 2HB TYR 15 3HB TYR 15 16.985 10.269 19.133 113 HD1 TYR 15 1HD TYR 15 16.242 9.901 21.860 114 HD2 TYR 15 2HD TYR 15 17.391 6.952 19.016 115 HE1 TYR 15 1HE TYR 15 16.989 8.437 23.690 116 HE2 TYR 15 2HE TYR 15 18.140 5.480 20.839 117 HH TYR 15 HH TYR 15 18.969 5.881 23.306 118 H THR 16 H THR 16 14.129 12.370 19.189 119 HA THR 16 HA THR 16 13.995 12.355 16.261 120 HB THR 16 HB THR 16 11.704 11.912 17.164 121 HG1 THR 16 1HG THR 16 10.929 13.080 15.552 122 1HG2 THR 16 1HG2 THR 16 10.673 13.248 18.664 123 2HG2 THR 16 2HG2 THR 16 11.364 14.719 17.980 124 3HG2 THR 16 3HG2 THR 16 12.316 13.728 19.085 125 H LEU 17 H LEU 17 15.748 13.547 18.391 126 HA LEU 17 HA LEU 17 15.370 16.256 18.750 127 1HB LEU 17 2HB LEU 17 17.705 16.431 19.154 128 2HB LEU 17 3HB LEU 17 17.172 14.862 19.752 129 HG LEU 17 HG LEU 17 18.011 14.097 17.344 130 1HD1 LEU 17 1HD1 LEU 17 20.169 16.036 17.848 131 2HD1 LEU 17 2HD1 LEU 17 18.686 16.698 17.162 132 3HD1 LEU 17 3HD1 LEU 17 19.540 15.401 16.327 133 1HD2 LEU 17 1HD2 LEU 17 19.772 14.597 19.742 134 2HD2 LEU 17 2HD2 LEU 17 20.158 13.517 18.402 135 3HD2 LEU 17 3HD2 LEU 17 18.779 13.170 19.445 136 H LYS 18 H LYS 18 16.463 14.538 15.908 137 HA LYS 18 HA LYS 18 17.601 16.584 14.430 138 1HB LYS 18 2HB LYS 18 16.797 15.292 12.419 139 2HB LYS 18 3HB LYS 18 17.720 14.360 13.591 140 1HG LYS 18 2HG LYS 18 14.836 14.320 14.059 141 2HG LYS 18 3HG LYS 18 15.329 13.621 12.515 142 1HD LYS 18 2HD LYS 18 17.164 12.508 14.143 143 2HD LYS 18 3HD LYS 18 15.817 12.680 15.270 144 1HE LYS 18 2HE LYS 18 15.451 10.582 14.358 145 2HE LYS 18 3HE LYS 18 14.414 11.613 13.375 146 1HZ LYS 18 1HZ LYS 18 16.450 9.927 12.513 147 2HZ LYS 18 2HZ LYS 18 16.979 11.506 12.223 148 3HZ LYS 18 3HZ LYS 18 15.508 10.975 11.577 149 H LYS 19 H LYS 19 14.247 15.951 15.139 150 HA LYS 19 HA LYS 19 12.955 17.400 13.172 151 1HB LYS 19 2HB LYS 19 11.957 16.016 15.084 152 2HB LYS 19 3HB LYS 19 12.107 17.470 16.063 153 1HG LYS 19 2HG LYS 19 10.614 18.667 14.623 154 2HG LYS 19 3HG LYS 19 10.574 17.327 13.476 155 1HD LYS 19 2HD LYS 19 9.726 15.963 15.532 156 2HD LYS 19 3HD LYS 19 9.315 17.552 16.179 157 1HE LYS 19 2HE LYS 19 8.123 17.955 13.960 158 2HE LYS 19 3HE LYS 19 8.288 16.221 13.689 159 1HZ LYS 19 1HZ LYS 19 6.337 16.137 14.756 160 2HZ LYS 19 2HZ LYS 19 6.531 17.649 15.487 161 3HZ LYS 19 3HZ LYS 19 7.267 16.283 16.161 162 H VAL 20 H VAL 20 13.206 19.428 12.533 163 HA VAL 20 HA VAL 20 13.622 21.515 14.557 164 HB VAL 20 HB VAL 20 15.141 21.372 11.949 165 1HG1 VAL 20 1HG1 VAL 20 15.378 23.316 14.244 166 2HG1 VAL 20 2HG1 VAL 20 16.331 23.324 12.757 167 3HG1 VAL 20 3HG1 VAL 20 14.599 23.653 12.698 168 1HG2 VAL 20 1HG2 VAL 20 16.590 20.067 13.015 169 2HG2 VAL 20 2HG2 VAL 20 16.911 21.404 14.119 170 3HG2 VAL 20 3HG2 VAL 20 15.681 20.205 14.521 171 H THR 21 H THR 21 12.557 23.403 14.191 172 HA THR 21 HA THR 21 10.755 23.447 11.874 173 HB THR 21 HB THR 21 9.564 23.594 13.952 174 HG1 THR 21 1HG THR 21 8.745 24.963 12.350 175 1HG2 THR 21 1HG2 THR 21 11.792 25.316 14.703 176 2HG2 THR 21 2HG2 THR 21 10.691 24.386 15.720 177 3HG2 THR 21 3HG2 THR 21 10.225 25.989 15.149 178 H GLU 22 H GLU 22 13.407 25.108 13.347 179 HA GLU 22 HA GLU 22 14.572 26.991 12.804 180 1HB GLU 22 2HB GLU 22 13.560 26.544 10.000 181 2HB GLU 22 3HB GLU 22 15.079 27.277 10.497 182 1HG GLU 22 2HG GLU 22 15.824 25.107 11.368 183 2HG GLU 22 3HG GLU 22 14.315 24.382 10.814 184 H SER 23 H SER 23 12.692 28.027 14.046 185 HA SER 23 HA SER 23 11.029 29.734 12.353 186 1HB SER 23 2HB SER 23 10.995 29.074 15.295 187 2HB SER 23 3HB SER 23 10.034 30.393 14.626 188 HG SER 23 HG SER 23 8.814 28.495 14.682 189 H GLY 24 H GLY 24 13.972 30.086 12.733 190 1HA GLY 24 2HA GLY 24 14.572 32.566 12.412 191 2HA GLY 24 3HA GLY 24 14.001 32.711 14.066 192 H GLU 25 H GLU 25 15.780 33.137 15.223 193 HA GLU 25 HA GLU 25 17.775 31.074 15.480 194 1HB GLU 25 2HB GLU 25 18.440 32.663 13.527 195 2HB GLU 25 3HB GLU 25 18.833 33.800 14.810 196 1HG GLU 25 2HG GLU 25 20.518 32.416 15.673 197 2HG GLU 25 3HG GLU 25 19.952 31.019 14.758 198 H ILE 26 H ILE 26 18.174 30.894 17.576 199 HA ILE 26 HA ILE 26 18.171 33.323 19.237 200 HB ILE 26 HB ILE 26 16.049 32.128 19.585 201 1HG1 ILE 26 2HG1 ILE 26 17.890 31.834 21.966 202 2HG1 ILE 26 3HG1 ILE 26 17.194 33.363 21.438 203 1HG2 ILE 26 1HG2 ILE 26 17.128 29.867 21.031 204 2HG2 ILE 26 2HG2 ILE 26 15.897 29.915 19.772 205 3HG2 ILE 26 3HG2 ILE 26 17.603 29.846 19.333 206 1HD1 ILE 26 1HD1 ILE 26 15.424 32.949 22.688 207 2HD1 ILE 26 2HD1 ILE 26 15.066 31.537 21.693 208 3HD1 ILE 26 3HD1 ILE 26 16.075 31.369 23.129 209 H THR 27 H THR 27 19.663 33.394 20.879 210 HA THR 27 HA THR 27 21.195 31.095 21.657 211 HB THR 27 HB THR 27 22.314 31.606 19.536 212 HG1 THR 27 1HG THR 27 24.137 31.144 20.503 213 1HG2 THR 27 1HG2 THR 27 21.728 34.169 19.905 214 2HG2 THR 27 2HG2 THR 27 23.105 33.665 18.927 215 3HG2 THR 27 3HG2 THR 27 23.351 34.185 20.594 216 H LYS 28 H LYS 28 22.964 31.718 23.206 217 HA LYS 28 HA LYS 28 22.369 34.256 24.571 218 1HB LYS 28 2HB LYS 28 21.239 32.487 25.799 219 2HB LYS 28 3HB LYS 28 22.723 31.544 25.862 220 1HG LYS 28 2HG LYS 28 23.763 33.267 27.247 221 2HG LYS 28 3HG LYS 28 22.274 34.213 27.184 222 1HD LYS 28 2HD LYS 28 22.307 31.387 28.199 223 2HD LYS 28 3HD LYS 28 22.677 32.754 29.253 224 1HE LYS 28 2HE LYS 28 20.206 32.859 27.596 225 2HE LYS 28 3HE LYS 28 20.220 31.813 29.015 226 1HZ LYS 28 1HZ LYS 28 19.628 33.661 30.093 227 2HZ LYS 28 2HZ LYS 28 20.141 34.690 28.853 228 3HZ LYS 28 3HZ LYS 28 21.258 34.101 29.979 229 H SER 29 H SER 29 24.147 35.451 24.526 230 HA SER 29 HA SER 29 26.709 34.202 25.207 231 1HB SER 29 2HB SER 29 26.519 34.409 22.709 232 2HB SER 29 3HB SER 29 26.408 36.157 22.917 233 HG SER 29 HG SER 29 28.582 34.939 22.586 234 H ALA 30 H ALA 30 28.396 35.881 25.701 235 HA ALA 30 HA ALA 30 27.208 38.347 26.776 236 1HB ALA 30 1HB ALA 30 27.582 37.711 28.866 237 2HB ALA 30 2HB ALA 30 28.234 36.173 28.297 238 3HB ALA 30 3HB ALA 30 29.303 37.559 28.508 239 H HIS 31 H HIS 31 29.063 39.860 27.542 240 HA HIS 31 HA HIS 31 31.594 39.661 26.280 241 1HB HIS 31 2HB HIS 31 30.136 40.111 24.293 242 2HB HIS 31 3HB HIS 31 29.694 41.650 25.026 243 HD1 HIS 31 1HD HIS 31 30.780 43.186 23.349 244 HD2 HIS 31 2HD HIS 31 33.402 40.341 24.864 245 HE1 HIS 31 1HE HIS 31 33.057 43.865 22.526 246 HA PRO 32 HA PRO 32 31.112 42.669 29.795 247 1HB PRO 32 2HB PRO 32 33.101 41.597 31.299 248 2HB PRO 32 3HB PRO 32 31.430 41.021 31.363 249 1HG PRO 32 2HG PRO 32 33.772 39.885 29.884 250 2HG PRO 32 3HG PRO 32 32.522 39.042 30.818 251 1HD PRO 32 2HD PRO 32 32.472 39.187 28.115 252 2HD PRO 32 3HD PRO 32 30.994 39.138 29.096 253 H ALA 33 H ALA 33 32.931 43.990 30.813 254 HA ALA 33 HA ALA 33 35.067 44.448 28.833 255 1HB ALA 33 1HB ALA 33 33.698 46.577 30.469 256 2HB ALA 33 2HB ALA 33 34.902 46.814 29.202 257 3HB ALA 33 3HB ALA 33 33.302 46.194 28.793 258 H ARG 34 H ARG 34 36.917 43.785 29.714 259 HA ARG 34 HA ARG 34 37.444 43.399 32.410 260 1HB ARG 34 2HB ARG 34 38.762 42.726 30.218 261 2HB ARG 34 3HB ARG 34 39.680 44.178 30.592 262 1HG ARG 34 2HG ARG 34 39.238 42.187 32.754 263 2HG ARG 34 3HG ARG 34 40.413 41.823 31.489 264 1HD ARG 34 2HD ARG 34 41.273 44.235 31.998 265 2HD ARG 34 3HD ARG 34 40.430 44.005 33.529 266 HE ARG 34 HE ARG 34 42.873 42.741 32.686 267 1HH1 ARG 34 2HH1 ARG 34 40.105 42.524 34.786 268 2HH1 ARG 34 1HH1 ARG 34 40.894 41.496 35.937 269 1HH2 ARG 34 2HH2 ARG 34 43.924 41.390 34.193 270 2HH2 ARG 34 1HH2 ARG 34 43.067 40.853 35.598 271 H PHE 35 H PHE 35 37.595 44.797 34.022 272 HA PHE 35 HA PHE 35 38.530 47.529 33.436 273 1HB PHE 35 2HB PHE 35 37.274 48.052 35.640 274 2HB PHE 35 3HB PHE 35 36.329 47.789 34.178 275 HD1 PHE 35 1HD PHE 35 34.420 46.571 34.475 276 HD2 PHE 35 2HD PHE 35 37.821 45.676 36.874 277 HE1 PHE 35 1HE PHE 35 33.145 44.803 35.618 278 HE2 PHE 35 2HE PHE 35 36.551 43.907 38.019 279 HZ PHE 35 HZ PHE 35 34.211 43.467 37.390 280 H SER 36 H SER 36 39.401 48.611 35.525 281 HA SER 36 HA SER 36 41.808 47.462 36.208 282 1HB SER 36 2HB SER 36 41.717 49.034 38.228 283 2HB SER 36 3HB SER 36 41.545 49.776 36.637 284 HG SER 36 HG SER 36 39.897 49.979 38.655 285 HA PRO 37 HA PRO 37 40.259 44.155 38.828 286 1HB PRO 37 2HB PRO 37 42.649 42.882 39.022 287 2HB PRO 37 3HB PRO 37 41.593 42.735 37.611 288 1HG PRO 37 2HG PRO 37 44.009 44.461 37.998 289 2HG PRO 37 3HG PRO 37 43.536 43.499 36.585 290 1HD PRO 37 2HD PRO 37 43.139 46.174 36.724 291 2HD PRO 37 3HD PRO 37 42.043 45.090 35.843 292 H ASP 38 H ASP 38 43.258 45.972 39.375 293 HA ASP 38 HA ASP 38 43.532 45.311 42.109 294 1HB ASP 38 2HB ASP 38 44.597 47.600 40.456 295 2HB ASP 38 3HB ASP 38 44.997 47.390 42.158 296 H ASP 39 H ASP 39 42.316 45.904 43.766 297 HA ASP 39 HA ASP 39 40.376 48.034 43.469 298 1HB ASP 39 2HB ASP 39 40.920 45.985 45.609 299 2HB ASP 39 3HB ASP 39 39.778 47.302 45.862 300 H LYS 40 H LYS 40 43.485 47.569 44.872 301 HA LYS 40 HA LYS 40 43.302 49.758 46.733 302 1HB LYS 40 2HB LYS 40 44.890 47.601 46.658 303 2HB LYS 40 3HB LYS 40 45.950 48.743 45.841 304 1HG LYS 40 2HG LYS 40 46.597 48.989 48.027 305 2HG LYS 40 3HG LYS 40 45.408 50.283 47.866 306 1HD LYS 40 2HD LYS 40 44.878 49.221 49.894 307 2HD LYS 40 3HD LYS 40 43.703 48.595 48.734 308 1HE LYS 40 2HE LYS 40 44.503 46.755 50.028 309 2HE LYS 40 3HE LYS 40 45.191 46.617 48.411 310 1HZ LYS 40 1HZ LYS 40 47.246 46.806 49.208 311 2HZ LYS 40 2HZ LYS 40 46.585 46.535 50.741 312 3HZ LYS 40 3HZ LYS 40 46.852 48.117 50.203 313 H TYR 41 H TYR 41 43.451 49.655 43.457 314 HA TYR 41 HA TYR 41 45.422 51.406 42.649 315 1HB TYR 41 2HB TYR 41 44.154 51.769 40.682 316 2HB TYR 41 3HB TYR 41 43.744 50.141 41.209 317 HD1 TYR 41 1HD TYR 41 42.414 53.105 39.985 318 HD2 TYR 41 2HD TYR 41 41.642 50.099 42.895 319 HE1 TYR 41 1HE TYR 41 40.030 53.708 39.965 320 HE2 TYR 41 2HE TYR 41 39.255 50.693 42.883 321 HH TYR 41 HH TYR 41 37.778 52.367 42.271 322 H SER 42 H SER 42 42.424 52.081 44.305 323 HA SER 42 HA SER 42 42.819 54.964 44.018 324 1HB SER 42 2HB SER 42 40.537 53.623 43.851 325 2HB SER 42 3HB SER 42 40.563 53.812 45.603 326 HG SER 42 HG SER 42 40.851 56.098 45.203 327 H ARG 43 H ARG 43 44.725 53.519 45.550 328 HA ARG 43 HA ARG 43 44.171 53.708 48.332 329 1HB ARG 43 2HB ARG 43 46.580 53.332 48.628 330 2HB ARG 43 3HB ARG 43 45.887 52.198 47.475 331 1HG ARG 43 2HG ARG 43 46.714 53.709 45.648 332 2HG ARG 43 3HG ARG 43 47.589 54.605 46.891 333 1HD ARG 43 2HD ARG 43 47.897 51.637 46.536 334 2HD ARG 43 3HD ARG 43 48.869 52.794 45.628 335 HE ARG 43 HE ARG 43 49.041 53.441 48.343 336 1HH1 ARG 43 2HH1 ARG 43 49.997 50.905 46.157 337 2HH1 ARG 43 1HH1 ARG 43 51.391 50.455 47.083 338 1HH2 ARG 43 2HH2 ARG 43 50.874 52.857 49.570 339 2HH2 ARG 43 1HH2 ARG 43 51.887 51.565 49.024 340 H GLN 44 H GLN 44 45.255 55.952 45.935 341 HA GLN 44 HA GLN 44 46.630 57.819 47.458 342 1HB GLN 44 2HB GLN 44 46.085 57.716 44.892 343 2HB GLN 44 3HB GLN 44 44.720 58.730 45.342 344 1HG GLN 44 2HG GLN 44 46.347 60.257 44.736 345 2HG GLN 44 3HG GLN 44 46.466 60.215 46.494 346 1HE2 GLN 44 1HE2 GLN 44 48.192 60.167 43.695 347 2HE2 GLN 44 2HE2 GLN 44 49.659 59.461 44.273 348 H ARG 45 H ARG 45 43.244 57.087 47.367 349 HA ARG 45 HA ARG 45 42.085 59.417 48.282 350 1HB ARG 45 2HB ARG 45 40.264 58.096 49.042 351 2HB ARG 45 3HB ARG 45 40.925 57.264 47.642 352 1HG ARG 45 2HG ARG 45 42.073 55.690 49.080 353 2HG ARG 45 3HG ARG 45 41.500 56.552 50.510 354 1HD ARG 45 2HD ARG 45 40.180 54.521 49.995 355 2HD ARG 45 3HD ARG 45 39.219 55.998 49.993 356 HE ARG 45 HE ARG 45 40.071 55.524 47.379 357 1HH1 ARG 45 2HH1 ARG 45 38.001 54.078 49.776 358 2HH1 ARG 45 1HH1 ARG 45 36.938 53.358 48.613 359 1HH2 ARG 45 2HH2 ARG 45 38.678 54.581 45.838 360 2HH2 ARG 45 1HH2 ARG 45 37.325 53.644 46.373 361 H VAL 46 H VAL 46 44.009 57.077 50.025 362 HA VAL 46 HA VAL 46 43.386 57.650 52.651 363 HB VAL 46 HB VAL 46 46.127 57.060 51.523 364 1HG1 VAL 46 1HG1 VAL 46 46.274 57.973 53.770 365 2HG1 VAL 46 2HG1 VAL 46 45.075 56.811 54.340 366 3HG1 VAL 46 3HG1 VAL 46 46.651 56.251 53.782 367 1HG2 VAL 46 1HG2 VAL 46 45.668 54.772 51.862 368 2HG2 VAL 46 2HG2 VAL 46 44.202 55.119 52.779 369 3HG2 VAL 46 3HG2 VAL 46 44.249 55.423 51.042 370 H THR 47 H THR 47 45.549 59.391 50.464 371 HA THR 47 HA THR 47 46.679 61.171 52.287 372 HB THR 47 HB THR 47 47.279 62.550 50.440 373 HG1 THR 47 1HG THR 47 44.973 61.445 49.292 374 1HG2 THR 47 1HG2 THR 47 48.632 61.024 49.520 375 2HG2 THR 47 2HG2 THR 47 47.278 60.149 48.804 376 3HG2 THR 47 3HG2 THR 47 47.760 59.821 50.468 377 H LEU 48 H LEU 48 46.242 63.502 52.502 378 HA LEU 48 HA LEU 48 43.790 64.682 51.825 379 1HB LEU 48 2HB LEU 48 43.309 62.827 53.681 380 2HB LEU 48 3HB LEU 48 43.769 64.157 54.742 381 HG LEU 48 HG LEU 48 41.359 64.045 54.508 382 1HD1 LEU 48 1HD1 LEU 48 42.776 66.268 54.460 383 2HD1 LEU 48 2HD1 LEU 48 41.022 66.291 54.286 384 3HD1 LEU 48 3HD1 LEU 48 42.051 66.420 52.860 385 1HD2 LEU 48 1HD2 LEU 48 40.210 64.144 52.477 386 2HD2 LEU 48 2HD2 LEU 48 41.526 63.011 52.169 387 3HD2 LEU 48 3HD2 LEU 48 41.639 64.673 51.587 388 H LYS 49 H LYS 49 44.290 66.761 51.771 389 HA LYS 49 HA LYS 49 46.586 67.898 52.832 390 1HB LYS 49 2HB LYS 49 44.817 68.763 51.069 391 2HB LYS 49 3HB LYS 49 44.156 69.597 52.469 392 1HG LYS 49 2HG LYS 49 47.068 69.830 51.886 393 2HG LYS 49 3HG LYS 49 45.913 70.758 50.926 394 1HD LYS 49 2HD LYS 49 45.715 70.796 53.906 395 2HD LYS 49 3HD LYS 49 46.947 71.775 53.106 396 1HE LYS 49 2HE LYS 49 45.231 73.281 53.152 397 2HE LYS 49 3HE LYS 49 44.894 72.497 51.609 398 1HZ LYS 49 1HZ LYS 49 43.033 71.549 52.400 399 2HZ LYS 49 2HZ LYS 49 43.086 72.798 53.538 400 3HZ LYS 49 3HZ LYS 49 43.678 71.263 53.937 401 H LYS 50 H LYS 50 47.160 68.253 54.863 402 HA LYS 50 HA LYS 50 45.053 68.795 56.851 403 1HB LYS 50 2HB LYS 50 46.225 66.685 57.259 404 2HB LYS 50 3HB LYS 50 47.769 67.528 57.253 405 1HG LYS 50 2HG LYS 50 47.309 68.610 59.284 406 2HG LYS 50 3HG LYS 50 45.592 68.210 59.203 407 1HD LYS 50 2HD LYS 50 46.669 66.789 60.829 408 2HD LYS 50 3HD LYS 50 46.183 65.817 59.439 409 1HE LYS 50 2HE LYS 50 48.497 66.003 58.567 410 2HE LYS 50 3HE LYS 50 48.950 66.856 60.042 411 1HZ LYS 50 1HZ LYS 50 48.628 64.958 61.325 412 2HZ LYS 50 2HZ LYS 50 49.386 64.366 59.934 413 3HZ LYS 50 3HZ LYS 50 47.717 64.172 60.135 414 H ARG 51 H ARG 51 48.121 69.798 55.531 415 HA ARG 51 HA ARG 51 48.935 71.633 57.465 416 1HB ARG 51 2HB ARG 51 49.335 71.515 54.484 417 2HB ARG 51 3HB ARG 51 50.015 72.817 55.451 418 1HG ARG 51 2HG ARG 51 51.766 71.328 55.332 419 2HG ARG 51 3HG ARG 51 51.022 70.901 56.873 420 1HD ARG 51 2HD ARG 51 49.997 68.987 55.969 421 2HD ARG 51 3HD ARG 51 50.279 69.520 54.312 422 HE ARG 51 HE ARG 51 52.779 69.255 55.279 423 1HH1 ARG 51 2HH1 ARG 51 50.007 67.148 55.291 424 2HH1 ARG 51 1HH1 ARG 51 50.949 65.694 55.260 425 1HH2 ARG 51 2HH2 ARG 51 54.029 67.348 55.238 426 2HH2 ARG 51 1HH2 ARG 51 53.237 65.809 55.232 427 H PHE 52 H PHE 52 48.639 73.857 57.707 428 HA PHE 52 HA PHE 52 46.016 74.795 56.962 429 1HB PHE 52 2HB PHE 52 48.213 76.214 58.483 430 2HB PHE 52 3HB PHE 52 46.533 76.727 58.369 431 HD1 PHE 52 1HD PHE 52 44.759 75.398 59.466 432 HD2 PHE 52 2HD PHE 52 48.892 74.539 60.013 433 HE1 PHE 52 1HE PHE 52 44.215 74.064 61.462 434 HE2 PHE 52 2HE PHE 52 48.355 73.203 62.007 435 HZ PHE 52 HZ PHE 52 46.013 72.963 62.733 436 H GLY 53 H GLY 53 49.345 75.442 56.065 437 1HA GLY 53 2HA GLY 53 50.251 76.658 54.342 438 2HA GLY 53 3HA GLY 53 48.690 76.495 53.553 439 H LEU 54 H LEU 54 49.190 78.087 56.642 440 HA LEU 54 HA LEU 54 48.281 80.593 55.409 441 1HB LEU 54 2HB LEU 54 47.152 79.367 57.447 442 2HB LEU 54 3HB LEU 54 48.411 80.197 58.359 443 HG LEU 54 HG LEU 54 47.462 82.302 57.068 444 1HD1 LEU 54 1HD1 LEU 54 44.874 80.911 57.430 445 2HD1 LEU 54 2HD1 LEU 54 45.800 80.538 55.976 446 3HD1 LEU 54 3HD1 LEU 54 45.325 82.202 56.316 447 1HD2 LEU 54 1HD2 LEU 54 46.602 80.958 59.575 448 2HD2 LEU 54 2HD2 LEU 54 45.690 82.364 59.026 449 3HD2 LEU 54 3HD2 LEU 54 47.421 82.502 59.341 450 H VAL 55 H VAL 55 50.889 79.124 57.172 451 HA VAL 55 HA VAL 55 52.971 79.847 57.745 452 HB VAL 55 HB VAL 55 52.488 82.121 55.821 453 1HG1 VAL 55 1HG1 VAL 55 55.113 80.789 56.327 454 2HG1 VAL 55 2HG1 VAL 55 54.776 82.424 55.757 455 3HG1 VAL 55 3HG1 VAL 55 54.516 82.009 57.451 456 1HG2 VAL 55 1HG2 VAL 55 53.795 80.464 54.276 457 2HG2 VAL 55 2HG2 VAL 55 53.119 79.241 55.353 458 3HG2 VAL 55 3HG2 VAL 55 52.047 80.318 54.457 459 HA PRO 56 HA PRO 56 51.060 83.035 60.563 460 1HB PRO 56 2HB PRO 56 51.540 81.660 62.854 461 2HB PRO 56 3HB PRO 56 50.078 81.432 61.886 462 1HG PRO 56 2HG PRO 56 52.574 79.781 61.963 463 2HG PRO 56 3HG PRO 56 50.882 79.251 61.923 464 1HD PRO 56 2HD PRO 56 52.454 79.274 59.719 465 2HD PRO 56 3HD PRO 56 50.705 79.570 59.648 466 H GLY 57 H GLY 57 54.081 81.384 60.279 467 1HA GLY 57 2HA GLY 57 56.086 82.773 60.313 468 2HA GLY 57 3HA GLY 57 55.392 83.626 61.684 469 H GLN 58 H GLN 58 57.960 82.110 61.287 470 HA GLN 58 HA GLN 58 57.735 79.826 63.030 471 1HB GLN 58 2HB GLN 58 59.634 80.804 61.164 472 2HB GLN 58 3HB GLN 58 60.447 80.688 62.719 473 1HG GLN 58 2HG GLN 58 60.763 78.637 61.549 474 2HG GLN 58 3HG GLN 58 59.663 78.343 62.896 475 1HE2 GLN 58 1HE2 GLN 58 59.909 78.728 59.429 476 2HE2 GLN 58 2HE2 GLN 58 58.414 77.953 59.042 Start of MODEL 18 1 1H HIS 2 H HIS 2 9.612 20.358 26.381 2 HA HIS 2 HA HIS 2 10.293 20.991 23.711 3 1HB HIS 2 2HB HIS 2 11.785 22.437 25.895 4 2HB HIS 2 3HB HIS 2 12.510 22.129 24.320 5 HD1 HIS 2 1HD HIS 2 10.486 24.538 26.090 6 HD2 HIS 2 2HD HIS 2 10.908 23.330 22.137 7 HE1 HIS 2 1HE HIS 2 9.480 26.385 24.712 8 H LEU 3 H LEU 3 10.448 18.743 23.604 9 HA LEU 3 HA LEU 3 12.731 17.559 25.039 10 1HB LEU 3 2HB LEU 3 10.269 16.231 23.917 11 2HB LEU 3 3HB LEU 3 11.622 15.385 24.666 12 HG LEU 3 HG LEU 3 10.332 17.463 26.317 13 1HD1 LEU 3 1HD1 LEU 3 8.250 16.726 26.149 14 2HD1 LEU 3 2HD1 LEU 3 8.787 15.143 26.707 15 3HD1 LEU 3 3HD1 LEU 3 8.742 15.500 24.982 16 1HD2 LEU 3 1HD2 LEU 3 11.117 16.209 28.021 17 2HD2 LEU 3 2HD2 LEU 3 12.178 15.562 26.770 18 3HD2 LEU 3 3HD2 LEU 3 10.717 14.685 27.229 19 H MET 4 H MET 4 13.933 15.886 23.871 20 HA MET 4 HA MET 4 14.139 16.557 21.016 21 1HB MET 4 2HB MET 4 16.125 15.701 23.077 22 2HB MET 4 3HB MET 4 16.429 15.297 21.393 23 1HG MET 4 2HG MET 4 16.452 17.587 20.763 24 2HG MET 4 3HG MET 4 15.859 18.089 22.345 25 1HE MET 4 1HE MET 4 17.205 19.243 23.761 26 2HE MET 4 2HE MET 4 18.967 19.291 23.815 27 3HE MET 4 3HE MET 4 18.110 19.927 22.410 28 H TYR 5 H TYR 5 12.271 14.610 22.283 29 HA TYR 5 HA TYR 5 12.608 12.506 20.382 30 1HB TYR 5 2HB TYR 5 12.886 10.649 21.896 31 2HB TYR 5 3HB TYR 5 14.193 11.795 22.173 32 HD1 TYR 5 1HD TYR 5 11.624 9.882 23.692 33 HD2 TYR 5 2HD TYR 5 13.845 13.486 24.116 34 HE1 TYR 5 1HE TYR 5 11.047 9.950 26.081 35 HE2 TYR 5 2HE TYR 5 13.275 13.563 26.506 36 HH TYR 5 HH TYR 5 12.462 12.320 28.247 37 H THR 6 H THR 6 10.675 11.676 19.860 38 HA THR 6 HA THR 6 8.335 12.678 21.211 39 HB THR 6 HB THR 6 7.120 11.275 19.455 40 HG1 THR 6 1HG THR 6 8.293 10.109 18.126 41 1HG2 THR 6 1HG2 THR 6 7.150 13.502 18.895 42 2HG2 THR 6 2HG2 THR 6 8.098 12.838 17.564 43 3HG2 THR 6 3HG2 THR 6 8.910 13.599 18.932 44 H LEU 7 H LEU 7 6.544 11.263 21.857 45 HA LEU 7 HA LEU 7 7.520 8.721 22.984 46 1HB LEU 7 2HB LEU 7 5.488 10.643 24.107 47 2HB LEU 7 3HB LEU 7 5.859 9.061 24.790 48 HG LEU 7 HG LEU 7 7.672 11.465 24.659 49 1HD1 LEU 7 1HD1 LEU 7 6.626 9.924 27.026 50 2HD1 LEU 7 2HD1 LEU 7 5.915 11.421 26.421 51 3HD1 LEU 7 3HD1 LEU 7 7.563 11.418 27.048 52 1HD2 LEU 7 1HD2 LEU 7 8.890 9.537 26.221 53 2HD2 LEU 7 2HD2 LEU 7 9.369 10.023 24.595 54 3HD2 LEU 7 3HD2 LEU 7 8.301 8.637 24.823 55 H GLY 8 H GLY 8 6.017 6.980 23.120 56 1HA GLY 8 2HA GLY 8 4.024 7.077 20.973 57 2HA GLY 8 3HA GLY 8 4.693 5.621 21.697 58 HA PRO 9 HA PRO 9 0.429 6.256 23.397 59 1HB PRO 9 2HB PRO 9 -0.342 3.674 23.063 60 2HB PRO 9 3HB PRO 9 -0.493 4.894 21.792 61 1HG PRO 9 2HG PRO 9 1.616 2.803 22.171 62 2HG PRO 9 3HG PRO 9 0.796 3.308 20.682 63 1HD PRO 9 2HD PRO 9 3.282 4.157 21.335 64 2HD PRO 9 3HD PRO 9 2.139 5.163 20.422 65 H ASP 10 H ASP 10 2.896 3.803 23.930 66 HA ASP 10 HA ASP 10 1.943 3.477 26.696 67 1HB ASP 10 2HB ASP 10 2.143 1.434 25.188 68 2HB ASP 10 3HB ASP 10 3.888 1.669 25.263 69 H GLY 11 H GLY 11 3.651 5.655 25.540 70 1HA GLY 11 2HA GLY 11 5.301 6.967 26.506 71 2HA GLY 11 3HA GLY 11 5.599 5.682 27.667 72 H LYS 12 H LYS 12 5.599 4.824 24.337 73 HA LYS 12 HA LYS 12 8.272 3.889 24.440 74 1HB LYS 12 2HB LYS 12 6.280 4.224 22.207 75 2HB LYS 12 3HB LYS 12 7.915 3.647 21.904 76 1HG LYS 12 2HG LYS 12 6.154 2.322 23.932 77 2HG LYS 12 3HG LYS 12 6.051 1.920 22.216 78 1HD LYS 12 2HD LYS 12 8.722 1.930 23.543 79 2HD LYS 12 3HD LYS 12 7.631 0.572 23.825 80 1HE LYS 12 2HE LYS 12 7.405 0.480 21.272 81 2HE LYS 12 3HE LYS 12 8.831 1.517 21.241 82 1HZ LYS 12 1HZ LYS 12 10.156 -0.181 21.761 83 2HZ LYS 12 2HZ LYS 12 8.862 -1.186 21.339 84 3HZ LYS 12 3HZ LYS 12 9.116 -0.769 22.960 85 H ARG 13 H ARG 13 9.951 5.233 24.568 86 HA ARG 13 HA ARG 13 9.925 7.884 23.521 87 1HB ARG 13 2HB ARG 13 12.362 6.318 24.365 88 2HB ARG 13 3HB ARG 13 12.158 8.065 24.345 89 1HG ARG 13 2HG ARG 13 10.609 7.963 26.173 90 2HG ARG 13 3HG ARG 13 10.609 6.199 26.127 91 1HD ARG 13 2HD ARG 13 13.204 6.535 26.451 92 2HD ARG 13 3HD ARG 13 12.688 8.080 27.127 93 HE ARG 13 HE ARG 13 12.340 5.469 28.293 94 1HH1 ARG 13 2HH1 ARG 13 11.221 8.765 28.221 95 2HH1 ARG 13 1HH1 ARG 13 10.539 8.705 29.813 96 1HH2 ARG 13 2HH2 ARG 13 11.447 5.378 30.389 97 2HH2 ARG 13 1HH2 ARG 13 10.669 6.778 31.046 98 H ILE 14 H ILE 14 11.001 8.736 21.754 99 HA ILE 14 HA ILE 14 12.384 6.913 19.943 100 HB ILE 14 HB ILE 14 10.020 8.578 19.071 101 1HG1 ILE 14 2HG1 ILE 14 10.398 5.576 19.074 102 2HG1 ILE 14 3HG1 ILE 14 9.442 6.469 20.253 103 1HG2 ILE 14 1HG2 ILE 14 10.432 7.475 16.861 104 2HG2 ILE 14 2HG2 ILE 14 11.664 8.638 17.348 105 3HG2 ILE 14 3HG2 ILE 14 11.974 6.909 17.503 106 1HD1 ILE 14 1HD1 ILE 14 8.153 7.334 18.190 107 2HD1 ILE 14 2HD1 ILE 14 8.884 5.955 17.368 108 3HD1 ILE 14 3HD1 ILE 14 7.853 5.697 18.776 109 H TYR 15 H TYR 15 14.295 7.917 19.829 110 HA TYR 15 HA TYR 15 14.717 10.679 20.107 111 1HB TYR 15 2HB TYR 15 16.527 8.742 18.657 112 2HB TYR 15 3HB TYR 15 16.988 10.250 19.440 113 HD1 TYR 15 1HD TYR 15 16.635 10.399 21.989 114 HD2 TYR 15 2HD TYR 15 16.641 6.732 19.834 115 HE1 TYR 15 1HE TYR 15 17.101 9.182 24.075 116 HE2 TYR 15 2HE TYR 15 17.105 5.503 21.914 117 HH TYR 15 HH TYR 15 16.776 5.853 24.371 118 H THR 16 H THR 16 13.559 11.973 18.765 119 HA THR 16 HA THR 16 14.146 11.737 15.887 120 HB THR 16 HB THR 16 11.789 11.094 16.417 121 HG1 THR 16 1HG THR 16 11.656 11.816 14.431 122 1HG2 THR 16 1HG2 THR 16 11.405 12.595 18.303 123 2HG2 THR 16 2HG2 THR 16 10.211 12.877 17.035 124 3HG2 THR 16 3HG2 THR 16 11.562 13.992 17.239 125 H LEU 17 H LEU 17 15.345 13.348 18.111 126 HA LEU 17 HA LEU 17 14.615 16.007 18.086 127 1HB LEU 17 2HB LEU 17 16.700 16.491 18.981 128 2HB LEU 17 3HB LEU 17 16.431 14.810 19.438 129 HG LEU 17 HG LEU 17 17.810 14.401 17.193 130 1HD1 LEU 17 1HD1 LEU 17 18.473 17.178 18.065 131 2HD1 LEU 17 2HD1 LEU 17 18.281 16.526 16.438 132 3HD1 LEU 17 3HD1 LEU 17 19.727 16.148 17.373 133 1HD2 LEU 17 1HD2 LEU 17 19.343 13.569 18.596 134 2HD2 LEU 17 2HD2 LEU 17 18.248 14.099 19.873 135 3HD2 LEU 17 3HD2 LEU 17 19.601 15.123 19.389 136 H LYS 18 H LYS 18 16.354 14.175 15.671 137 HA LYS 18 HA LYS 18 17.528 16.169 14.167 138 1HB LYS 18 2HB LYS 18 16.414 13.478 13.544 139 2HB LYS 18 3HB LYS 18 16.806 14.532 12.193 140 1HG LYS 18 2HG LYS 18 19.100 14.755 13.078 141 2HG LYS 18 3HG LYS 18 18.688 13.604 14.352 142 1HD LYS 18 2HD LYS 18 18.373 12.953 11.433 143 2HD LYS 18 3HD LYS 18 19.884 12.680 12.302 144 1HE LYS 18 2HE LYS 18 18.806 11.173 13.823 145 2HE LYS 18 3HE LYS 18 17.220 11.563 13.161 146 1HZ LYS 18 1HZ LYS 18 19.084 10.621 11.187 147 2HZ LYS 18 2HZ LYS 18 17.495 10.130 11.493 148 3HZ LYS 18 3HZ LYS 18 18.769 9.480 12.396 149 H LYS 19 H LYS 19 14.161 15.268 14.392 150 HA LYS 19 HA LYS 19 13.134 16.472 12.109 151 1HB LYS 19 2HB LYS 19 12.008 15.091 14.068 152 2HB LYS 19 3HB LYS 19 11.622 16.695 14.675 153 1HG LYS 19 2HG LYS 19 10.952 15.827 11.879 154 2HG LYS 19 3HG LYS 19 9.869 15.561 13.248 155 1HD LYS 19 2HD LYS 19 10.199 18.101 13.673 156 2HD LYS 19 3HD LYS 19 10.743 18.136 11.994 157 1HE LYS 19 2HE LYS 19 8.103 17.001 12.906 158 2HE LYS 19 3HE LYS 19 8.320 18.642 12.298 159 1HZ LYS 19 1HZ LYS 19 9.381 17.398 10.292 160 2HZ LYS 19 2HZ LYS 19 7.700 17.537 10.411 161 3HZ LYS 19 3HZ LYS 19 8.461 16.092 10.850 162 H VAL 20 H VAL 20 13.326 18.491 11.423 163 HA VAL 20 HA VAL 20 13.655 20.644 13.395 164 HB VAL 20 HB VAL 20 15.420 20.384 11.652 165 1HG1 VAL 20 1HG1 VAL 20 14.970 20.975 9.363 166 2HG1 VAL 20 2HG1 VAL 20 13.888 19.663 9.838 167 3HG1 VAL 20 3HG1 VAL 20 13.282 21.317 9.741 168 1HG2 VAL 20 1HG2 VAL 20 14.592 22.599 12.778 169 2HG2 VAL 20 2HG2 VAL 20 15.771 22.650 11.468 170 3HG2 VAL 20 3HG2 VAL 20 14.073 22.996 11.139 171 H THR 21 H THR 21 12.489 22.599 13.174 172 HA THR 21 HA THR 21 9.896 22.250 11.834 173 HB THR 21 HB THR 21 9.885 22.648 14.302 174 HG1 THR 21 1HG THR 21 7.992 23.412 13.770 175 1HG2 THR 21 1HG2 THR 21 10.529 24.706 15.241 176 2HG2 THR 21 2HG2 THR 21 10.656 25.483 13.663 177 3HG2 THR 21 3HG2 THR 21 11.851 24.282 14.155 178 H GLU 22 H GLU 22 8.878 24.503 11.284 179 HA GLU 22 HA GLU 22 10.900 26.038 9.786 180 1HB GLU 22 2HB GLU 22 7.997 25.804 9.015 181 2HB GLU 22 3HB GLU 22 9.337 26.386 8.036 182 1HG GLU 22 2HG GLU 22 10.286 24.087 8.085 183 2HG GLU 22 3HG GLU 22 8.819 23.554 8.904 184 H SER 23 H SER 23 11.187 27.476 11.549 185 HA SER 23 HA SER 23 10.801 29.347 12.786 186 1HB SER 23 2HB SER 23 10.323 30.104 10.342 187 2HB SER 23 3HB SER 23 8.634 30.117 10.849 188 HG SER 23 HG SER 23 9.313 32.119 11.323 189 H GLY 24 H GLY 24 9.154 26.911 13.247 190 1HA GLY 24 2HA GLY 24 7.576 26.331 14.826 191 2HA GLY 24 3HA GLY 24 7.399 28.039 15.202 192 H GLU 25 H GLU 25 5.183 28.077 15.294 193 HA GLU 25 HA GLU 25 3.832 28.036 12.722 194 1HB GLU 25 2HB GLU 25 3.507 25.753 13.441 195 2HB GLU 25 3HB GLU 25 2.983 26.285 15.032 196 1HG GLU 25 2HG GLU 25 0.917 26.938 14.292 197 2HG GLU 25 3HG GLU 25 1.475 27.208 12.642 198 H ILE 26 H ILE 26 3.059 30.046 12.700 199 HA ILE 26 HA ILE 26 2.291 31.450 15.070 200 HB ILE 26 HB ILE 26 1.722 32.215 12.205 201 1HG1 ILE 26 2HG1 ILE 26 4.130 31.793 12.589 202 2HG1 ILE 26 3HG1 ILE 26 3.796 33.493 12.277 203 1HG2 ILE 26 1HG2 ILE 26 0.629 33.912 13.136 204 2HG2 ILE 26 2HG2 ILE 26 1.147 33.434 14.752 205 3HG2 ILE 26 3HG2 ILE 26 2.175 34.477 13.770 206 1HD1 ILE 26 1HD1 ILE 26 3.729 32.863 15.102 207 2HD1 ILE 26 2HD1 ILE 26 5.277 32.472 14.355 208 3HD1 ILE 26 3HD1 ILE 26 4.630 34.108 14.238 209 H THR 27 H THR 27 0.515 30.079 12.315 210 HA THR 27 HA THR 27 -1.928 30.177 13.961 211 HB THR 27 HB THR 27 -3.234 30.412 11.861 212 HG1 THR 27 1HG THR 27 -0.636 30.710 10.732 213 1HG2 THR 27 1HG2 THR 27 -2.332 32.362 13.325 214 2HG2 THR 27 2HG2 THR 27 -3.023 32.725 11.743 215 3HG2 THR 27 3HG2 THR 27 -1.273 32.676 11.950 216 H LYS 28 H LYS 28 -2.954 28.298 14.246 217 HA LYS 28 HA LYS 28 -1.826 25.883 13.211 218 1HB LYS 28 2HB LYS 28 -3.062 26.356 15.481 219 2HB LYS 28 3HB LYS 28 -4.503 25.971 14.549 220 1HG LYS 28 2HG LYS 28 -3.604 23.786 14.010 221 2HG LYS 28 3HG LYS 28 -2.112 24.169 14.871 222 1HD LYS 28 2HD LYS 28 -3.252 24.258 16.963 223 2HD LYS 28 3HD LYS 28 -4.829 24.175 16.174 224 1HE LYS 28 2HE LYS 28 -3.837 21.917 15.227 225 2HE LYS 28 3HE LYS 28 -2.828 22.028 16.667 226 1HZ LYS 28 1HZ LYS 28 -5.675 21.507 16.435 227 2HZ LYS 28 2HZ LYS 28 -5.221 22.525 17.707 228 3HZ LYS 28 3HZ LYS 28 -4.566 20.970 17.594 229 H SER 29 H SER 29 -2.371 24.774 11.447 230 HA SER 29 HA SER 29 -4.534 25.777 9.780 231 1HB SER 29 2HB SER 29 -3.552 24.569 8.000 232 2HB SER 29 3HB SER 29 -2.186 25.175 8.935 233 HG SER 29 HG SER 29 -2.521 22.740 8.259 234 H ALA 30 H ALA 30 -6.179 24.438 8.909 235 HA ALA 30 HA ALA 30 -7.025 22.345 10.761 236 1HB ALA 30 1HB ALA 30 -9.050 22.625 8.929 237 2HB ALA 30 2HB ALA 30 -8.944 23.453 10.482 238 3HB ALA 30 3HB ALA 30 -8.372 24.252 9.018 239 H HIS 31 H HIS 31 -7.849 20.313 9.983 240 HA HIS 31 HA HIS 31 -6.147 19.107 8.052 241 1HB HIS 31 2HB HIS 31 -8.410 18.205 9.768 242 2HB HIS 31 3HB HIS 31 -7.981 17.203 8.385 243 HD1 HIS 31 1HD HIS 31 -7.165 17.707 11.843 244 HD2 HIS 31 2HD HIS 31 -5.076 16.504 8.458 245 HE1 HIS 31 1HE HIS 31 -5.105 16.549 12.701 246 HA PRO 32 HA PRO 32 -8.378 19.498 4.297 247 1HB PRO 32 2HB PRO 32 -8.058 17.053 3.163 248 2HB PRO 32 3HB PRO 32 -6.744 18.227 3.301 249 1HG PRO 32 2HG PRO 32 -7.355 15.856 5.024 250 2HG PRO 32 3HG PRO 32 -5.790 16.418 4.409 251 1HD PRO 32 2HD PRO 32 -6.621 16.906 6.939 252 2HD PRO 32 3HD PRO 32 -5.587 18.034 6.039 253 H ALA 33 H ALA 33 -9.322 17.101 6.583 254 HA ALA 33 HA ALA 33 -12.057 17.211 5.579 255 1HB ALA 33 1HB ALA 33 -10.675 14.580 6.087 256 2HB ALA 33 2HB ALA 33 -12.357 14.809 5.610 257 3HB ALA 33 3HB ALA 33 -11.058 15.237 4.497 258 H ARG 34 H ARG 34 -13.333 17.678 7.235 259 HA ARG 34 HA ARG 34 -12.405 17.465 9.941 260 1HB ARG 34 2HB ARG 34 -13.987 19.243 8.846 261 2HB ARG 34 3HB ARG 34 -15.249 18.076 9.223 262 1HG ARG 34 2HG ARG 34 -14.738 18.189 11.562 263 2HG ARG 34 3HG ARG 34 -13.331 19.206 11.248 264 1HD ARG 34 2HD ARG 34 -15.054 20.796 10.131 265 2HD ARG 34 3HD ARG 34 -16.239 19.886 11.068 266 HE ARG 34 HE ARG 34 -14.241 20.638 12.830 267 1HH1 ARG 34 2HH1 ARG 34 -16.578 22.197 10.774 268 2HH1 ARG 34 1HH1 ARG 34 -16.732 23.593 11.788 269 1HH2 ARG 34 2HH2 ARG 34 -14.434 22.471 14.173 270 2HH2 ARG 34 1HH2 ARG 34 -15.512 23.749 13.720 271 H PHE 35 H PHE 35 -12.159 15.014 9.507 272 HA PHE 35 HA PHE 35 -14.580 13.700 10.534 273 1HB PHE 35 2HB PHE 35 -12.735 12.734 8.351 274 2HB PHE 35 3HB PHE 35 -13.830 11.658 9.213 275 HD1 PHE 35 1HD PHE 35 -15.922 11.288 8.340 276 HD2 PHE 35 2HD PHE 35 -13.870 14.880 7.340 277 HE1 PHE 35 1HE PHE 35 -17.736 11.887 6.790 278 HE2 PHE 35 2HE PHE 35 -15.680 15.486 5.788 279 HZ PHE 35 HZ PHE 35 -17.616 13.990 5.512 280 H SER 36 H SER 36 -14.265 12.621 12.366 281 HA SER 36 HA SER 36 -11.558 12.331 13.383 282 1HB SER 36 2HB SER 36 -14.135 12.737 14.539 283 2HB SER 36 3HB SER 36 -13.477 11.234 15.184 284 HG SER 36 HG SER 36 -12.321 12.466 16.419 285 HA PRO 37 HA PRO 37 -11.062 8.027 12.705 286 1HB PRO 37 2HB PRO 37 -9.880 7.201 15.005 287 2HB PRO 37 3HB PRO 37 -9.045 8.183 13.794 288 1HG PRO 37 2HG PRO 37 -10.345 9.033 16.353 289 2HG PRO 37 3HG PRO 37 -8.794 9.544 15.663 290 1HD PRO 37 2HD PRO 37 -11.038 11.048 15.474 291 2HD PRO 37 3HD PRO 37 -9.787 11.038 14.214 292 H ASP 38 H ASP 38 -12.748 9.018 15.608 293 HA ASP 38 HA ASP 38 -14.495 8.113 16.751 294 1HB ASP 38 2HB ASP 38 -15.367 7.798 14.395 295 2HB ASP 38 3HB ASP 38 -14.763 6.145 14.476 296 H ASP 39 H ASP 39 -11.659 6.873 16.641 297 HA ASP 39 HA ASP 39 -12.105 4.144 17.447 298 1HB ASP 39 2HB ASP 39 -10.057 4.610 16.291 299 2HB ASP 39 3HB ASP 39 -9.645 5.895 17.423 300 H LYS 40 H LYS 40 -11.940 7.221 18.979 301 HA LYS 40 HA LYS 40 -11.176 6.391 21.575 302 1HB LYS 40 2HB LYS 40 -11.479 8.795 20.426 303 2HB LYS 40 3HB LYS 40 -13.016 8.704 21.275 304 1HG LYS 40 2HG LYS 40 -11.500 9.830 22.699 305 2HG LYS 40 3HG LYS 40 -11.725 8.211 23.366 306 1HD LYS 40 2HD LYS 40 -9.613 7.724 21.812 307 2HD LYS 40 3HD LYS 40 -9.335 9.441 22.110 308 1HE LYS 40 2HE LYS 40 -9.713 8.852 24.586 309 2HE LYS 40 3HE LYS 40 -9.471 7.181 24.080 310 1HZ LYS 40 1HZ LYS 40 -7.360 8.273 22.960 311 2HZ LYS 40 2HZ LYS 40 -7.343 7.727 24.560 312 3HZ LYS 40 3HZ LYS 40 -7.551 9.373 24.232 313 H TYR 41 H TYR 41 -14.210 6.401 19.860 314 HA TYR 41 HA TYR 41 -15.991 6.214 22.004 315 1HB TYR 41 2HB TYR 41 -16.053 5.474 19.129 316 2HB TYR 41 3HB TYR 41 -17.272 4.739 20.165 317 HD1 TYR 41 1HD TYR 41 -15.752 8.144 19.810 318 HD2 TYR 41 2HD TYR 41 -19.301 5.816 20.102 319 HE1 TYR 41 1HE TYR 41 -17.102 10.195 19.665 320 HE2 TYR 41 2HE TYR 41 -20.661 7.860 19.957 321 HH TYR 41 HH TYR 41 -19.519 10.758 18.904 322 H SER 42 H SER 42 -13.747 3.930 20.742 323 HA SER 42 HA SER 42 -14.864 1.492 21.390 324 1HB SER 42 2HB SER 42 -12.814 1.367 20.272 325 2HB SER 42 3HB SER 42 -12.030 2.489 21.384 326 HG SER 42 HG SER 42 -11.686 0.031 21.521 327 H ARG 43 H ARG 43 -15.469 0.535 23.215 328 HA ARG 43 HA ARG 43 -15.033 1.881 25.739 329 1HB ARG 43 2HB ARG 43 -16.557 0.178 26.653 330 2HB ARG 43 3HB ARG 43 -17.243 0.982 25.248 331 1HG ARG 43 2HG ARG 43 -16.754 -0.911 23.856 332 2HG ARG 43 3HG ARG 43 -15.885 -1.703 25.172 333 1HD ARG 43 2HD ARG 43 -18.767 -0.914 25.446 334 2HD ARG 43 3HD ARG 43 -18.299 -2.438 24.691 335 HE ARG 43 HE ARG 43 -17.029 -2.141 27.203 336 1HH1 ARG 43 2HH1 ARG 43 -20.110 -2.858 25.751 337 2HH1 ARG 43 1HH1 ARG 43 -20.667 -3.807 27.088 338 1HH2 ARG 43 2HH2 ARG 43 -17.750 -3.390 28.970 339 2HH2 ARG 43 1HH2 ARG 43 -19.324 -4.109 28.920 340 H GLN 44 H GLN 44 -13.140 -0.067 24.004 341 HA GLN 44 HA GLN 44 -12.368 -2.065 25.871 342 1HB GLN 44 2HB GLN 44 -11.924 -2.322 23.489 343 2HB GLN 44 3HB GLN 44 -10.882 -0.906 23.508 344 1HG GLN 44 2HG GLN 44 -9.743 -3.159 23.517 345 2HG GLN 44 3HG GLN 44 -9.222 -2.003 24.741 346 1HE2 GLN 44 1HE2 GLN 44 -11.952 -4.258 24.509 347 2HE2 GLN 44 2HE2 GLN 44 -11.636 -5.061 26.006 348 H ARG 45 H ARG 45 -11.603 1.274 25.491 349 HA ARG 45 HA ARG 45 -9.190 1.127 27.093 350 1HB ARG 45 2HB ARG 45 -9.089 3.554 26.792 351 2HB ARG 45 3HB ARG 45 -9.316 2.737 25.251 352 1HG ARG 45 2HG ARG 45 -10.862 4.354 24.978 353 2HG ARG 45 3HG ARG 45 -11.873 3.207 25.859 354 1HD ARG 45 2HD ARG 45 -12.269 5.091 27.087 355 2HD ARG 45 3HD ARG 45 -10.867 4.462 27.950 356 HE ARG 45 HE ARG 45 -10.100 6.227 25.853 357 1HH1 ARG 45 2HH1 ARG 45 -11.371 6.138 29.093 358 2HH1 ARG 45 1HH1 ARG 45 -10.754 7.700 29.518 359 1HH2 ARG 45 2HH2 ARG 45 -9.281 8.284 26.401 360 2HH2 ARG 45 1HH2 ARG 45 -9.566 8.920 27.986 361 H VAL 46 H VAL 46 -12.535 2.184 27.435 362 HA VAL 46 HA VAL 46 -12.169 3.222 30.086 363 HB VAL 46 HB VAL 46 -13.950 4.026 28.529 364 1HG1 VAL 46 1HG1 VAL 46 -15.961 2.741 28.222 365 2HG1 VAL 46 2HG1 VAL 46 -14.583 1.784 27.677 366 3HG1 VAL 46 3HG1 VAL 46 -15.335 1.442 29.236 367 1HG2 VAL 46 1HG2 VAL 46 -15.143 2.950 31.071 368 2HG2 VAL 46 2HG2 VAL 46 -13.975 4.271 31.058 369 3HG2 VAL 46 3HG2 VAL 46 -15.523 4.455 30.234 370 H THR 47 H THR 47 -13.086 0.163 28.678 371 HA THR 47 HA THR 47 -14.348 -1.080 30.808 372 HB THR 47 HB THR 47 -14.062 -2.043 28.509 373 HG1 THR 47 1HG THR 47 -14.734 -3.299 30.383 374 1HG2 THR 47 1HG2 THR 47 -11.561 -3.388 29.284 375 2HG2 THR 47 2HG2 THR 47 -11.402 -1.674 28.898 376 3HG2 THR 47 3HG2 THR 47 -12.085 -2.786 27.712 377 H LEU 48 H LEU 48 -10.996 -0.282 30.384 378 HA LEU 48 HA LEU 48 -10.443 -1.049 33.115 379 1HB LEU 48 2HB LEU 48 -9.004 -2.322 30.795 380 2HB LEU 48 3HB LEU 48 -8.418 -2.358 32.457 381 HG LEU 48 HG LEU 48 -11.012 -3.572 31.510 382 1HD1 LEU 48 1HD1 LEU 48 -9.953 -5.691 31.633 383 2HD1 LEU 48 2HD1 LEU 48 -8.488 -4.993 32.322 384 3HD1 LEU 48 3HD1 LEU 48 -8.920 -4.658 30.644 385 1HD2 LEU 48 1HD2 LEU 48 -10.113 -2.850 34.087 386 2HD2 LEU 48 2HD2 LEU 48 -10.019 -4.607 33.975 387 3HD2 LEU 48 3HD2 LEU 48 -11.546 -3.784 33.651 388 H LYS 49 H LYS 49 -9.765 0.913 33.742 389 HA LYS 49 HA LYS 49 -7.733 2.276 32.108 390 1HB LYS 49 2HB LYS 49 -8.407 4.332 33.115 391 2HB LYS 49 3HB LYS 49 -9.873 3.494 32.624 392 1HG LYS 49 2HG LYS 49 -10.183 2.724 34.940 393 2HG LYS 49 3HG LYS 49 -8.747 3.635 35.414 394 1HD LYS 49 2HD LYS 49 -9.809 5.710 34.737 395 2HD LYS 49 3HD LYS 49 -11.225 4.824 34.166 396 1HE LYS 49 2HE LYS 49 -11.523 3.977 36.505 397 2HE LYS 49 3HE LYS 49 -10.239 5.078 37.003 398 1HZ LYS 49 1HZ LYS 49 -12.522 6.148 35.499 399 2HZ LYS 49 2HZ LYS 49 -11.544 6.906 36.653 400 3HZ LYS 49 3HZ LYS 49 -12.723 5.797 37.142 401 H LYS 50 H LYS 50 -8.453 1.009 35.287 402 HA LYS 50 HA LYS 50 -5.925 1.961 36.374 403 1HB LYS 50 2HB LYS 50 -7.997 1.990 37.750 404 2HB LYS 50 3HB LYS 50 -8.045 0.234 37.666 405 1HG LYS 50 2HG LYS 50 -7.051 0.562 39.702 406 2HG LYS 50 3HG LYS 50 -5.637 0.407 38.656 407 1HD LYS 50 2HD LYS 50 -5.118 2.637 38.798 408 2HD LYS 50 3HD LYS 50 -6.790 3.117 39.096 409 1HE LYS 50 2HE LYS 50 -5.545 3.455 41.111 410 2HE LYS 50 3HE LYS 50 -6.616 2.075 41.353 411 1HZ LYS 50 1HZ LYS 50 -3.698 2.015 40.825 412 2HZ LYS 50 2HZ LYS 50 -4.679 0.637 40.792 413 3HZ LYS 50 3HZ LYS 50 -4.499 1.513 42.227 414 H ARG 51 H ARG 51 -7.533 -1.225 36.316 415 HA ARG 51 HA ARG 51 -4.986 -2.568 36.512 416 1HB ARG 51 2HB ARG 51 -6.311 -4.626 36.542 417 2HB ARG 51 3HB ARG 51 -6.941 -3.454 37.691 418 1HG ARG 51 2HG ARG 51 -8.668 -2.829 36.023 419 2HG ARG 51 3HG ARG 51 -8.079 -4.134 34.990 420 1HD ARG 51 2HD ARG 51 -9.964 -4.960 36.195 421 2HD ARG 51 3HD ARG 51 -8.523 -5.714 36.874 422 HE ARG 51 HE ARG 51 -8.961 -3.501 38.426 423 1HH1 ARG 51 2HH1 ARG 51 -10.806 -6.313 37.527 424 2HH1 ARG 51 1HH1 ARG 51 -11.712 -6.350 39.003 425 1HH2 ARG 51 2HH2 ARG 51 -10.147 -3.540 40.373 426 2HH2 ARG 51 1HH2 ARG 51 -11.338 -4.772 40.621 427 H PHE 52 H PHE 52 -4.395 -4.319 35.000 428 HA PHE 52 HA PHE 52 -5.276 -3.794 32.244 429 1HB PHE 52 2HB PHE 52 -2.411 -4.205 33.129 430 2HB PHE 52 3HB PHE 52 -2.956 -4.020 31.465 431 HD1 PHE 52 1HD PHE 52 -3.374 -1.886 30.539 432 HD2 PHE 52 2HD PHE 52 -2.585 -2.295 34.702 433 HE1 PHE 52 1HE PHE 52 -3.123 0.554 30.728 434 HE2 PHE 52 2HE PHE 52 -2.334 0.145 34.897 435 HZ PHE 52 HZ PHE 52 -2.603 1.573 32.909 436 H GLY 53 H GLY 53 -5.786 -5.568 31.118 437 1HA GLY 53 2HA GLY 53 -5.541 -8.148 32.405 438 2HA GLY 53 3HA GLY 53 -6.380 -7.806 30.899 439 H LEU 54 H LEU 54 -3.024 -7.621 32.099 440 HA LEU 54 HA LEU 54 -2.181 -8.947 29.607 441 1HB LEU 54 2HB LEU 54 -0.995 -6.756 31.227 442 2HB LEU 54 3HB LEU 54 0.104 -7.872 30.418 443 HG LEU 54 HG LEU 54 -2.056 -6.539 28.842 444 1HD1 LEU 54 1HD1 LEU 54 0.285 -5.014 28.554 445 2HD1 LEU 54 2HD1 LEU 54 -0.019 -5.142 30.287 446 3HD1 LEU 54 3HD1 LEU 54 -1.267 -4.503 29.218 447 1HD2 LEU 54 1HD2 LEU 54 0.710 -7.584 28.275 448 2HD2 LEU 54 2HD2 LEU 54 -0.238 -6.659 27.112 449 3HD2 LEU 54 3HD2 LEU 54 -0.829 -8.217 27.692 450 H VAL 55 H VAL 55 -2.011 -8.941 33.081 451 HA VAL 55 HA VAL 55 -0.978 -11.642 33.058 452 HB VAL 55 HB VAL 55 1.110 -10.396 33.037 453 1HG1 VAL 55 1HG1 VAL 55 0.118 -8.309 34.023 454 2HG1 VAL 55 2HG1 VAL 55 0.234 -9.084 35.603 455 3HG1 VAL 55 3HG1 VAL 55 1.695 -8.766 34.667 456 1HG2 VAL 55 1HG2 VAL 55 1.116 -12.430 34.307 457 2HG2 VAL 55 2HG2 VAL 55 2.071 -11.231 35.178 458 3HG2 VAL 55 3HG2 VAL 55 0.435 -11.611 35.712 459 HA PRO 56 HA PRO 56 -3.801 -11.757 36.461 460 1HB PRO 56 2HB PRO 56 -3.196 -14.257 37.329 461 2HB PRO 56 3HB PRO 56 -4.159 -13.951 35.879 462 1HG PRO 56 2HG PRO 56 -1.251 -14.624 36.116 463 2HG PRO 56 3HG PRO 56 -2.453 -15.243 34.968 464 1HD PRO 56 2HD PRO 56 -0.674 -13.309 34.314 465 2HD PRO 56 3HD PRO 56 -2.305 -13.382 33.616 466 H GLY 57 H GLY 57 -0.445 -12.842 36.939 467 1HA GLY 57 2HA GLY 57 1.012 -11.932 38.567 468 2HA GLY 57 3HA GLY 57 -0.386 -11.348 39.457 469 H GLN 58 H GLN 58 1.822 -12.763 40.569 470 HA GLN 58 HA GLN 58 0.565 -15.320 41.308 471 1HB GLN 58 2HB GLN 58 2.931 -15.224 40.249 472 2HB GLN 58 3HB GLN 58 3.445 -14.649 41.829 473 1HG GLN 58 2HG GLN 58 3.759 -17.065 41.549 474 2HG GLN 58 3HG GLN 58 2.663 -16.672 42.873 475 1HE2 GLN 58 1HE2 GLN 58 2.297 -17.021 39.358 476 2HE2 GLN 58 2HE2 GLN 58 0.987 -18.145 39.436 Start of MODEL 19 1 1H HIS 2 H HIS 2 12.316 21.937 26.209 2 HA HIS 2 HA HIS 2 10.375 20.974 24.575 3 1HB HIS 2 2HB HIS 2 12.610 21.949 22.796 4 2HB HIS 2 3HB HIS 2 11.080 21.226 22.309 5 HD1 HIS 2 1HD HIS 2 12.617 24.349 22.262 6 HD2 HIS 2 2HD HIS 2 8.860 23.063 23.483 7 HE1 HIS 2 1HE HIS 2 11.160 26.398 22.222 8 H LEU 3 H LEU 3 10.656 18.831 24.392 9 HA LEU 3 HA LEU 3 13.045 17.642 25.405 10 1HB LEU 3 2HB LEU 3 10.933 16.111 23.945 11 2HB LEU 3 3HB LEU 3 11.917 15.616 25.321 12 HG LEU 3 HG LEU 3 9.587 17.533 25.374 13 1HD1 LEU 3 1HD1 LEU 3 9.948 14.658 26.045 14 2HD1 LEU 3 2HD1 LEU 3 8.581 15.482 25.299 15 3HD1 LEU 3 3HD1 LEU 3 8.857 15.628 27.034 16 1HD2 LEU 3 1HD2 LEU 3 10.244 16.816 27.966 17 2HD2 LEU 3 2HD2 LEU 3 10.541 18.377 27.200 18 3HD2 LEU 3 3HD2 LEU 3 11.800 17.142 27.204 19 H MET 4 H MET 4 13.926 15.644 24.130 20 HA MET 4 HA MET 4 14.467 16.510 21.365 21 1HB MET 4 2HB MET 4 16.710 15.522 21.603 22 2HB MET 4 3HB MET 4 16.438 16.820 22.758 23 1HG MET 4 2HG MET 4 16.510 15.437 24.547 24 2HG MET 4 3HG MET 4 15.821 14.077 23.663 25 1HE MET 4 1HE MET 4 18.573 11.988 22.575 26 2HE MET 4 2HE MET 4 16.851 12.357 22.674 27 3HE MET 4 3HE MET 4 17.823 13.032 21.366 28 H TYR 5 H TYR 5 12.485 14.574 22.582 29 HA TYR 5 HA TYR 5 12.745 12.549 20.585 30 1HB TYR 5 2HB TYR 5 13.031 10.624 21.968 31 2HB TYR 5 3HB TYR 5 14.314 11.752 22.395 32 HD1 TYR 5 1HD TYR 5 11.644 9.745 23.623 33 HD2 TYR 5 2HD TYR 5 13.914 13.244 24.460 34 HE1 TYR 5 1HE TYR 5 10.958 9.618 25.980 35 HE2 TYR 5 2HE TYR 5 13.234 13.126 26.821 36 HH TYR 5 HH TYR 5 11.328 10.421 28.052 37 H THR 6 H THR 6 10.790 11.761 20.058 38 HA THR 6 HA THR 6 8.481 12.806 21.424 39 HB THR 6 HB THR 6 7.174 11.687 19.666 40 HG1 THR 6 1HG THR 6 8.062 9.992 18.774 41 1HG2 THR 6 1HG2 THR 6 7.822 13.819 18.996 42 2HG2 THR 6 2HG2 THR 6 8.402 12.807 17.672 43 3HG2 THR 6 3HG2 THR 6 9.527 13.379 18.904 44 H LEU 7 H LEU 7 6.617 11.372 21.953 45 HA LEU 7 HA LEU 7 7.577 8.907 23.248 46 1HB LEU 7 2HB LEU 7 5.294 10.724 24.002 47 2HB LEU 7 3HB LEU 7 5.675 9.201 24.804 48 HG LEU 7 HG LEU 7 7.319 11.728 24.793 49 1HD1 LEU 7 1HD1 LEU 7 7.008 11.427 27.285 50 2HD1 LEU 7 2HD1 LEU 7 5.779 10.226 26.892 51 3HD1 LEU 7 3HD1 LEU 7 5.575 11.898 26.370 52 1HD2 LEU 7 1HD2 LEU 7 8.108 8.953 25.196 53 2HD2 LEU 7 2HD2 LEU 7 8.488 9.988 26.572 54 3HD2 LEU 7 3HD2 LEU 7 9.100 10.394 24.968 55 H GLY 8 H GLY 8 6.195 7.068 23.263 56 1HA GLY 8 2HA GLY 8 4.528 6.920 20.864 57 2HA GLY 8 3HA GLY 8 5.145 5.556 21.783 58 HA PRO 9 HA PRO 9 0.644 6.057 22.774 59 1HB PRO 9 2HB PRO 9 0.052 3.421 22.512 60 2HB PRO 9 3HB PRO 9 0.043 4.547 21.149 61 1HG PRO 9 2HG PRO 9 2.161 2.605 21.988 62 2HG PRO 9 3HG PRO 9 1.557 2.968 20.361 63 1HD PRO 9 2HD PRO 9 3.873 3.995 21.317 64 2HD PRO 9 3HD PRO 9 2.839 4.875 20.174 65 H ASP 10 H ASP 10 3.055 3.697 23.817 66 HA ASP 10 HA ASP 10 1.741 3.571 26.449 67 1HB ASP 10 2HB ASP 10 2.306 1.456 24.973 68 2HB ASP 10 3HB ASP 10 3.913 1.674 25.658 69 H GLY 11 H GLY 11 3.589 5.673 25.377 70 1HA GLY 11 2HA GLY 11 5.122 7.057 26.419 71 2HA GLY 11 3HA GLY 11 5.215 5.899 27.738 72 H LYS 12 H LYS 12 5.761 5.037 24.389 73 HA LYS 12 HA LYS 12 8.435 4.137 25.076 74 1HB LYS 12 2HB LYS 12 6.637 3.771 22.697 75 2HB LYS 12 3HB LYS 12 8.343 3.356 22.605 76 1HG LYS 12 2HG LYS 12 7.952 1.903 24.645 77 2HG LYS 12 3HG LYS 12 6.228 2.148 24.359 78 1HD LYS 12 2HD LYS 12 8.098 1.113 22.240 79 2HD LYS 12 3HD LYS 12 7.249 0.050 23.364 80 1HE LYS 12 2HE LYS 12 5.820 0.075 21.549 81 2HE LYS 12 3HE LYS 12 5.136 1.337 22.572 82 1HZ LYS 12 1HZ LYS 12 5.901 1.591 19.953 83 2HZ LYS 12 2HZ LYS 12 7.124 2.376 20.818 84 3HZ LYS 12 3HZ LYS 12 5.512 2.851 21.014 85 H ARG 13 H ARG 13 10.043 5.560 24.988 86 HA ARG 13 HA ARG 13 9.988 8.009 23.638 87 1HB ARG 13 2HB ARG 13 12.498 7.962 23.989 88 2HB ARG 13 3HB ARG 13 11.513 7.779 25.434 89 1HG ARG 13 2HG ARG 13 12.099 5.209 24.289 90 2HG ARG 13 3HG ARG 13 13.582 6.124 24.566 91 1HD ARG 13 2HD ARG 13 13.303 5.084 26.600 92 2HD ARG 13 3HD ARG 13 12.501 6.627 26.885 93 HE ARG 13 HE ARG 13 10.494 5.525 27.050 94 1HH1 ARG 13 2HH1 ARG 13 12.897 3.380 25.726 95 2HH1 ARG 13 1HH1 ARG 13 11.894 1.973 25.845 96 1HH2 ARG 13 2HH2 ARG 13 9.165 3.677 27.212 97 2HH2 ARG 13 1HH2 ARG 13 9.772 2.143 26.690 98 H ILE 14 H ILE 14 10.870 8.718 21.710 99 HA ILE 14 HA ILE 14 12.094 6.775 19.916 100 HB ILE 14 HB ILE 14 9.593 8.298 19.172 101 1HG1 ILE 14 2HG1 ILE 14 10.103 5.322 19.376 102 2HG1 ILE 14 3HG1 ILE 14 9.204 6.278 20.550 103 1HG2 ILE 14 1HG2 ILE 14 10.288 6.408 17.202 104 2HG2 ILE 14 2HG2 ILE 14 10.272 8.165 17.065 105 3HG2 ILE 14 3HG2 ILE 14 11.746 7.333 17.561 106 1HD1 ILE 14 1HD1 ILE 14 8.309 5.070 18.110 107 2HD1 ILE 14 2HD1 ILE 14 7.373 5.825 19.401 108 3HD1 ILE 14 3HD1 ILE 14 8.012 6.808 18.084 109 H TYR 15 H TYR 15 13.948 7.808 19.511 110 HA TYR 15 HA TYR 15 14.422 10.535 19.589 111 1HB TYR 15 2HB TYR 15 15.868 8.582 17.791 112 2HB TYR 15 3HB TYR 15 16.498 10.086 18.453 113 HD1 TYR 15 1HD TYR 15 15.635 9.882 21.272 114 HD2 TYR 15 2HD TYR 15 17.266 6.935 18.672 115 HE1 TYR 15 1HE TYR 15 16.517 8.662 23.218 116 HE2 TYR 15 2HE TYR 15 18.151 5.707 20.610 117 HH TYR 15 HH TYR 15 17.241 6.451 23.830 118 H THR 16 H THR 16 13.132 11.915 18.508 119 HA THR 16 HA THR 16 13.181 11.767 15.580 120 HB THR 16 HB THR 16 10.647 12.561 16.991 121 HG1 THR 16 1HG THR 16 11.431 9.951 16.152 122 1HG2 THR 16 1HG2 THR 16 9.956 11.443 14.623 123 2HG2 THR 16 2HG2 THR 16 11.541 12.102 14.221 124 3HG2 THR 16 3HG2 THR 16 10.277 13.161 14.844 125 H LEU 17 H LEU 17 14.517 13.406 17.690 126 HA LEU 17 HA LEU 17 13.479 15.974 17.883 127 1HB LEU 17 2HB LEU 17 15.349 15.343 19.214 128 2HB LEU 17 3HB LEU 17 16.324 14.997 17.786 129 HG LEU 17 HG LEU 17 16.463 17.361 17.270 130 1HD1 LEU 17 1HD1 LEU 17 14.450 17.569 19.448 131 2HD1 LEU 17 2HD1 LEU 17 14.537 18.413 17.903 132 3HD1 LEU 17 3HD1 LEU 17 15.599 18.888 19.229 133 1HD2 LEU 17 1HD2 LEU 17 18.004 17.935 18.896 134 2HD2 LEU 17 2HD2 LEU 17 17.941 16.179 19.044 135 3HD2 LEU 17 3HD2 LEU 17 17.067 17.193 20.194 136 H LYS 18 H LYS 18 13.010 17.436 16.393 137 HA LYS 18 HA LYS 18 13.494 17.170 13.671 138 1HB LYS 18 2HB LYS 18 12.760 19.511 15.401 139 2HB LYS 18 3HB LYS 18 13.050 19.733 13.680 140 1HG LYS 18 2HG LYS 18 11.119 17.668 14.660 141 2HG LYS 18 3HG LYS 18 10.644 19.359 14.487 142 1HD LYS 18 2HD LYS 18 11.390 19.272 12.121 143 2HD LYS 18 3HD LYS 18 11.715 17.549 12.323 144 1HE LYS 18 2HE LYS 18 9.020 18.662 12.989 145 2HE LYS 18 3HE LYS 18 9.448 18.327 11.312 146 1HZ LYS 18 1HZ LYS 18 8.330 16.446 12.321 147 2HZ LYS 18 2HZ LYS 18 9.500 16.362 13.539 148 3HZ LYS 18 3HZ LYS 18 9.925 16.038 11.934 149 H LYS 19 H LYS 19 15.386 18.779 16.158 150 HA LYS 19 HA LYS 19 17.162 20.174 14.490 151 1HB LYS 19 2HB LYS 19 16.923 20.529 16.942 152 2HB LYS 19 3HB LYS 19 17.737 18.995 17.214 153 1HG LYS 19 2HG LYS 19 19.118 21.014 15.536 154 2HG LYS 19 3HG LYS 19 19.027 21.299 17.275 155 1HD LYS 19 2HD LYS 19 19.807 18.766 17.353 156 2HD LYS 19 3HD LYS 19 20.457 19.175 15.763 157 1HE LYS 19 2HE LYS 19 21.002 20.715 18.299 158 2HE LYS 19 3HE LYS 19 22.080 19.504 17.607 159 1HZ LYS 19 1HZ LYS 19 21.808 22.234 16.925 160 2HZ LYS 19 2HZ LYS 19 21.488 21.276 15.569 161 3HZ LYS 19 3HZ LYS 19 22.958 21.115 16.389 162 H VAL 20 H VAL 20 18.448 19.350 12.989 163 HA VAL 20 HA VAL 20 19.890 16.855 13.588 164 HB VAL 20 HB VAL 20 18.044 16.402 11.996 165 1HG1 VAL 20 1HG1 VAL 20 18.558 18.825 10.943 166 2HG1 VAL 20 2HG1 VAL 20 19.417 17.800 9.793 167 3HG1 VAL 20 3HG1 VAL 20 17.696 17.550 10.085 168 1HG2 VAL 20 1HG2 VAL 20 20.235 15.990 10.166 169 2HG2 VAL 20 2HG2 VAL 20 20.723 15.641 11.825 170 3HG2 VAL 20 3HG2 VAL 20 19.333 14.813 11.122 171 H THR 21 H THR 21 22.020 16.863 13.133 172 HA THR 21 HA THR 21 23.187 19.367 12.223 173 HB THR 21 HB THR 21 24.580 16.866 13.199 174 HG1 THR 21 1HG THR 21 23.529 19.125 14.524 175 1HG2 THR 21 1HG2 THR 21 26.523 18.250 13.465 176 2HG2 THR 21 2HG2 THR 21 25.617 19.694 13.012 177 3HG2 THR 21 3HG2 THR 21 25.939 18.443 11.812 178 H GLU 22 H GLU 22 23.872 19.712 10.218 179 HA GLU 22 HA GLU 22 23.922 17.491 8.333 180 1HB GLU 22 2HB GLU 22 24.056 19.212 6.605 181 2HB GLU 22 3HB GLU 22 22.724 19.536 7.706 182 1HG GLU 22 2HG GLU 22 24.327 21.097 8.922 183 2HG GLU 22 3HG GLU 22 25.361 20.945 7.502 184 H SER 23 H SER 23 25.716 16.645 7.459 185 HA SER 23 HA SER 23 28.284 17.575 8.462 186 1HB SER 23 2HB SER 23 27.442 15.097 8.296 187 2HB SER 23 3HB SER 23 27.974 15.229 6.619 188 HG SER 23 HG SER 23 29.983 15.193 7.257 189 H GLY 24 H GLY 24 26.452 17.490 5.502 190 1HA GLY 24 2HA GLY 24 28.085 19.433 4.255 191 2HA GLY 24 3HA GLY 24 28.476 17.843 3.616 192 H GLU 25 H GLU 25 26.583 20.522 3.183 193 HA GLU 25 HA GLU 25 24.107 19.529 2.378 194 1HB GLU 25 2HB GLU 25 24.799 21.956 2.665 195 2HB GLU 25 3HB GLU 25 25.522 21.847 1.066 196 1HG GLU 25 2HG GLU 25 22.661 21.096 1.470 197 2HG GLU 25 3HG GLU 25 23.128 22.792 1.339 198 H ILE 26 H ILE 26 27.008 20.151 0.410 199 HA ILE 26 HA ILE 26 25.805 18.808 -1.868 200 HB ILE 26 HB ILE 26 28.602 19.918 -1.656 201 1HG1 ILE 26 2HG1 ILE 26 26.082 21.283 -2.628 202 2HG1 ILE 26 3HG1 ILE 26 26.953 21.670 -1.149 203 1HG2 ILE 26 1HG2 ILE 26 28.785 19.637 -3.914 204 2HG2 ILE 26 2HG2 ILE 26 27.728 18.280 -3.532 205 3HG2 ILE 26 3HG2 ILE 26 27.048 19.771 -4.185 206 1HD1 ILE 26 1HD1 ILE 26 28.754 21.779 -3.359 207 2HD1 ILE 26 2HD1 ILE 26 27.323 22.751 -3.708 208 3HD1 ILE 26 3HD1 ILE 26 28.266 23.061 -2.250 209 H THR 27 H THR 27 26.210 16.777 -2.491 210 HA THR 27 HA THR 27 28.124 15.219 -0.900 211 HB THR 27 HB THR 27 25.782 14.418 -0.914 212 HG1 THR 27 1HG THR 27 26.374 12.301 -1.189 213 1HG2 THR 27 1HG2 THR 27 25.182 15.145 -3.183 214 2HG2 THR 27 2HG2 THR 27 24.844 13.431 -2.940 215 3HG2 THR 27 3HG2 THR 27 26.268 13.928 -3.855 216 H LYS 28 H LYS 28 27.319 16.187 -4.156 217 HA LYS 28 HA LYS 28 28.938 14.370 -5.566 218 1HB LYS 28 2HB LYS 28 27.691 17.008 -6.153 219 2HB LYS 28 3HB LYS 28 28.976 16.461 -7.224 220 1HG LYS 28 2HG LYS 28 26.787 14.560 -6.589 221 2HG LYS 28 3HG LYS 28 26.442 15.900 -7.686 222 1HD LYS 28 2HD LYS 28 27.158 14.324 -9.187 223 2HD LYS 28 3HD LYS 28 28.693 15.111 -8.811 224 1HE LYS 28 2HE LYS 28 29.371 13.364 -7.404 225 2HE LYS 28 3HE LYS 28 27.735 12.719 -7.271 226 1HZ LYS 28 1HZ LYS 28 29.744 12.080 -9.151 227 2HZ LYS 28 2HZ LYS 28 28.385 12.674 -9.962 228 3HZ LYS 28 3HZ LYS 28 28.234 11.350 -8.921 229 H SER 29 H SER 29 30.802 15.356 -7.014 230 HA SER 29 HA SER 29 32.546 17.153 -5.554 231 1HB SER 29 2HB SER 29 32.849 14.674 -4.749 232 2HB SER 29 3HB SER 29 33.726 14.491 -6.267 233 HG SER 29 HG SER 29 34.280 16.449 -4.287 234 H ALA 30 H ALA 30 33.016 18.540 -7.129 235 HA ALA 30 HA ALA 30 33.131 17.811 -9.885 236 1HB ALA 30 1HB ALA 30 34.337 20.271 -9.733 237 2HB ALA 30 2HB ALA 30 32.607 19.982 -9.920 238 3HB ALA 30 3HB ALA 30 33.286 20.263 -8.317 239 H HIS 31 H HIS 31 34.988 18.067 -11.286 240 HA HIS 31 HA HIS 31 37.630 18.234 -10.233 241 1HB HIS 31 2HB HIS 31 36.930 15.907 -9.552 242 2HB HIS 31 3HB HIS 31 36.816 15.513 -11.265 243 HD1 HIS 31 1HD HIS 31 39.607 17.685 -10.082 244 HD2 HIS 31 2HD HIS 31 38.950 13.698 -11.044 245 HE1 HIS 31 1HE HIS 31 41.892 16.646 -10.236 246 HA PRO 32 HA PRO 32 37.008 19.172 -14.746 247 1HB PRO 32 2HB PRO 32 38.115 21.649 -14.630 248 2HB PRO 32 3HB PRO 32 36.405 21.344 -14.302 249 1HG PRO 32 2HG PRO 32 38.665 21.716 -12.376 250 2HG PRO 32 3HG PRO 32 37.021 22.377 -12.311 251 1HD PRO 32 2HD PRO 32 37.783 20.221 -10.861 252 2HD PRO 32 3HD PRO 32 36.132 20.419 -11.483 253 H ALA 33 H ALA 33 38.609 17.552 -15.138 254 HA ALA 33 HA ALA 33 41.400 18.190 -14.730 255 1HB ALA 33 1HB ALA 33 39.846 15.824 -15.393 256 2HB ALA 33 2HB ALA 33 41.327 15.957 -16.341 257 3HB ALA 33 3HB ALA 33 41.404 15.964 -14.580 258 H ARG 34 H ARG 34 39.505 17.295 -17.621 259 HA ARG 34 HA ARG 34 40.666 19.441 -19.150 260 1HB ARG 34 2HB ARG 34 41.766 16.729 -19.277 261 2HB ARG 34 3HB ARG 34 41.293 17.366 -20.845 262 1HG ARG 34 2HG ARG 34 43.122 18.770 -18.910 263 2HG ARG 34 3HG ARG 34 43.657 17.793 -20.279 264 1HD ARG 34 2HD ARG 34 41.699 19.950 -20.826 265 2HD ARG 34 3HD ARG 34 43.346 20.437 -20.428 266 HE ARG 34 HE ARG 34 43.407 18.418 -22.390 267 1HH1 ARG 34 2HH1 ARG 34 42.564 21.771 -21.984 268 2HH1 ARG 34 1HH1 ARG 34 42.896 22.190 -23.632 269 1HH2 ARG 34 2HH2 ARG 34 43.847 18.956 -24.563 270 2HH2 ARG 34 1HH2 ARG 34 43.625 20.587 -25.098 271 H PHE 35 H PHE 35 39.160 20.141 -20.510 272 HA PHE 35 HA PHE 35 37.466 18.315 -21.963 273 1HB PHE 35 2HB PHE 35 35.349 19.201 -21.149 274 2HB PHE 35 3HB PHE 35 36.271 18.531 -19.807 275 HD1 PHE 35 1HD PHE 35 34.675 21.446 -21.166 276 HD2 PHE 35 2HD PHE 35 37.489 20.096 -18.272 277 HE1 PHE 35 1HE PHE 35 34.457 23.581 -19.961 278 HE2 PHE 35 2HE PHE 35 37.274 22.227 -17.062 279 HZ PHE 35 HZ PHE 35 35.755 23.973 -17.905 280 H SER 36 H SER 36 36.667 19.196 -23.827 281 HA SER 36 HA SER 36 37.276 22.043 -24.293 282 1HB SER 36 2HB SER 36 37.837 19.625 -25.944 283 2HB SER 36 3HB SER 36 37.405 21.113 -26.789 284 HG SER 36 HG SER 36 39.469 20.893 -24.852 285 HA PRO 37 HA PRO 37 33.139 22.705 -25.592 286 1HB PRO 37 2HB PRO 37 33.446 24.401 -27.689 287 2HB PRO 37 3HB PRO 37 33.720 24.888 -26.012 288 1HG PRO 37 2HG PRO 37 35.709 24.094 -28.102 289 2HG PRO 37 3HG PRO 37 35.787 25.424 -26.932 290 1HD PRO 37 2HD PRO 37 37.102 23.084 -26.569 291 2HD PRO 37 3HD PRO 37 36.462 24.040 -25.216 292 H ASP 38 H ASP 38 35.326 22.090 -28.334 293 HA ASP 38 HA ASP 38 33.151 20.582 -29.628 294 1HB ASP 38 2HB ASP 38 35.286 22.356 -30.703 295 2HB ASP 38 3HB ASP 38 34.825 20.961 -31.675 296 H ASP 39 H ASP 39 33.443 18.477 -30.062 297 HA ASP 39 HA ASP 39 35.857 17.205 -29.090 298 1HB ASP 39 2HB ASP 39 33.320 16.431 -28.899 299 2HB ASP 39 3HB ASP 39 33.695 15.652 -30.434 300 H LYS 40 H LYS 40 34.491 18.162 -32.102 301 HA LYS 40 HA LYS 40 35.990 16.338 -33.734 302 1HB LYS 40 2HB LYS 40 34.168 18.641 -34.198 303 2HB LYS 40 3HB LYS 40 35.303 18.247 -35.482 304 1HG LYS 40 2HG LYS 40 33.729 16.021 -34.322 305 2HG LYS 40 3HG LYS 40 32.882 17.182 -35.349 306 1HD LYS 40 2HD LYS 40 35.474 16.026 -36.277 307 2HD LYS 40 3HD LYS 40 34.006 15.052 -36.387 308 1HE LYS 40 2HE LYS 40 33.975 16.087 -38.431 309 2HE LYS 40 3HE LYS 40 33.029 17.231 -37.480 310 1HZ LYS 40 1HZ LYS 40 35.939 17.586 -37.685 311 2HZ LYS 40 2HZ LYS 40 34.733 18.746 -37.438 312 3HZ LYS 40 3HZ LYS 40 34.956 18.071 -38.973 313 H TYR 41 H TYR 41 36.872 18.971 -31.931 314 HA TYR 41 HA TYR 41 38.549 20.493 -33.507 315 1HB TYR 41 2HB TYR 41 39.600 21.212 -31.521 316 2HB TYR 41 3HB TYR 41 37.958 20.799 -31.038 317 HD1 TYR 41 1HD TYR 41 41.213 20.611 -29.999 318 HD2 TYR 41 2HD TYR 41 37.798 18.111 -30.444 319 HE1 TYR 41 1HE TYR 41 42.107 19.094 -28.281 320 HE2 TYR 41 2HE TYR 41 38.681 16.589 -28.726 321 HH TYR 41 HH TYR 41 40.565 16.025 -27.559 322 H SER 42 H SER 42 39.005 17.265 -32.283 323 HA SER 42 HA SER 42 41.779 17.027 -32.549 324 1HB SER 42 2HB SER 42 41.141 14.525 -32.992 325 2HB SER 42 3HB SER 42 40.797 15.246 -31.419 326 HG SER 42 HG SER 42 38.682 15.356 -31.914 327 H ARG 43 H ARG 43 42.805 17.662 -34.347 328 HA ARG 43 HA ARG 43 41.686 17.276 -36.969 329 1HB ARG 43 2HB ARG 43 43.696 18.366 -37.781 330 2HB ARG 43 3HB ARG 43 43.049 19.258 -36.410 331 1HG ARG 43 2HG ARG 43 44.731 18.356 -34.956 332 2HG ARG 43 3HG ARG 43 45.315 17.285 -36.231 333 1HD ARG 43 2HD ARG 43 45.248 20.229 -36.708 334 2HD ARG 43 3HD ARG 43 46.535 19.546 -35.717 335 HE ARG 43 HE ARG 43 46.318 18.081 -38.109 336 1HH1 ARG 43 2HH1 ARG 43 47.344 21.194 -36.934 337 2HH1 ARG 43 1HH1 ARG 43 48.506 21.432 -38.196 338 1HH2 ARG 43 2HH2 ARG 43 47.846 18.383 -39.775 339 2HH2 ARG 43 1HH2 ARG 43 48.792 19.833 -39.812 340 H GLN 44 H GLN 44 43.877 15.587 -34.888 341 HA GLN 44 HA GLN 44 45.410 14.124 -36.655 342 1HB GLN 44 2HB GLN 44 45.325 14.154 -34.036 343 2HB GLN 44 3HB GLN 44 44.244 12.783 -34.245 344 1HG GLN 44 2HG GLN 44 47.060 12.979 -35.288 345 2HG GLN 44 3HG GLN 44 46.541 12.074 -33.867 346 1HE2 GLN 44 1HE2 GLN 44 45.010 10.326 -34.216 347 2HE2 GLN 44 2HE2 GLN 44 45.072 9.438 -35.698 348 H ARG 45 H ARG 45 42.153 13.379 -35.452 349 HA ARG 45 HA ARG 45 41.854 10.925 -36.787 350 1HB ARG 45 2HB ARG 45 40.033 12.891 -35.506 351 2HB ARG 45 3HB ARG 45 39.306 11.749 -36.628 352 1HG ARG 45 2HG ARG 45 39.103 10.537 -34.730 353 2HG ARG 45 3HG ARG 45 40.729 10.027 -35.190 354 1HD ARG 45 2HD ARG 45 41.126 10.601 -33.021 355 2HD ARG 45 3HD ARG 45 41.395 12.169 -33.781 356 HE ARG 45 HE ARG 45 39.498 12.963 -32.758 357 1HH1 ARG 45 2HH1 ARG 45 39.616 9.495 -32.474 358 2HH1 ARG 45 1HH1 ARG 45 38.298 9.412 -31.353 359 1HH2 ARG 45 2HH2 ARG 45 37.762 12.866 -31.282 360 2HH2 ARG 45 1HH2 ARG 45 37.243 11.330 -30.676 361 H VAL 46 H VAL 46 41.412 14.233 -37.832 362 HA VAL 46 HA VAL 46 40.017 13.584 -40.247 363 HB VAL 46 HB VAL 46 41.538 16.119 -39.637 364 1HG1 VAL 46 1HG1 VAL 46 40.988 16.501 -41.779 365 2HG1 VAL 46 2HG1 VAL 46 39.772 15.224 -41.801 366 3HG1 VAL 46 3HG1 VAL 46 39.376 16.807 -41.132 367 1HG2 VAL 46 1HG2 VAL 46 38.704 15.352 -38.958 368 2HG2 VAL 46 2HG2 VAL 46 40.000 15.749 -37.830 369 3HG2 VAL 46 3HG2 VAL 46 39.334 16.998 -38.882 370 H THR 47 H THR 47 43.335 14.703 -39.571 371 HA THR 47 HA THR 47 44.277 14.463 -42.207 372 HB THR 47 HB THR 47 45.444 15.744 -40.428 373 HG1 THR 47 1HG THR 47 46.950 15.493 -41.897 374 1HG2 THR 47 1HG2 THR 47 46.380 13.040 -39.461 375 2HG2 THR 47 2HG2 THR 47 45.179 14.038 -38.639 376 3HG2 THR 47 3HG2 THR 47 46.836 14.614 -38.811 377 H LEU 48 H LEU 48 45.848 12.913 -43.033 378 HA LEU 48 HA LEU 48 44.952 10.280 -42.929 379 1HB LEU 48 2HB LEU 48 47.394 11.629 -43.955 380 2HB LEU 48 3HB LEU 48 47.409 9.871 -43.830 381 HG LEU 48 HG LEU 48 46.815 10.743 -46.087 382 1HD1 LEU 48 1HD1 LEU 48 45.169 8.887 -44.483 383 2HD1 LEU 48 2HD1 LEU 48 46.087 8.606 -45.961 384 3HD1 LEU 48 3HD1 LEU 48 44.510 9.390 -46.039 385 1HD2 LEU 48 1HD2 LEU 48 45.484 12.686 -45.102 386 2HD2 LEU 48 2HD2 LEU 48 44.175 11.523 -44.886 387 3HD2 LEU 48 3HD2 LEU 48 44.798 11.862 -46.502 388 H LYS 49 H LYS 49 45.259 8.655 -41.555 389 HA LYS 49 HA LYS 49 46.965 9.050 -39.248 390 1HB LYS 49 2HB LYS 49 44.871 7.061 -40.034 391 2HB LYS 49 3HB LYS 49 46.003 6.651 -38.752 392 1HG LYS 49 2HG LYS 49 45.327 8.722 -37.565 393 2HG LYS 49 3HG LYS 49 44.103 8.985 -38.810 394 1HD LYS 49 2HD LYS 49 44.281 6.504 -37.104 395 2HD LYS 49 3HD LYS 49 43.242 7.884 -36.741 396 1HE LYS 49 2HE LYS 49 42.379 7.516 -39.172 397 2HE LYS 49 3HE LYS 49 43.060 5.902 -38.973 398 1HZ LYS 49 1HZ LYS 49 41.038 5.474 -38.127 399 2HZ LYS 49 2HZ LYS 49 40.719 7.089 -37.739 400 3HZ LYS 49 3HZ LYS 49 41.677 6.147 -36.712 401 H LYS 50 H LYS 50 48.932 8.219 -38.968 402 HA LYS 50 HA LYS 50 49.967 6.396 -41.018 403 1HB LYS 50 2HB LYS 50 51.187 8.424 -39.210 404 2HB LYS 50 3HB LYS 50 52.175 7.046 -39.677 405 1HG LYS 50 2HG LYS 50 51.485 7.644 -42.085 406 2HG LYS 50 3HG LYS 50 51.015 9.201 -41.397 407 1HD LYS 50 2HD LYS 50 53.717 8.088 -40.788 408 2HD LYS 50 3HD LYS 50 53.427 8.842 -42.357 409 1HE LYS 50 2HE LYS 50 54.159 10.636 -41.111 410 2HE LYS 50 3HE LYS 50 52.411 10.771 -40.927 411 1HZ LYS 50 1HZ LYS 50 53.513 9.093 -38.922 412 2HZ LYS 50 2HZ LYS 50 52.599 10.506 -38.748 413 3HZ LYS 50 3HZ LYS 50 54.280 10.601 -38.913 414 H ARG 51 H ARG 51 51.531 4.721 -40.277 415 HA ARG 51 HA ARG 51 50.369 3.258 -38.056 416 1HB ARG 51 2HB ARG 51 52.498 2.513 -40.068 417 2HB ARG 51 3HB ARG 51 51.901 1.434 -38.814 418 1HG ARG 51 2HG ARG 51 50.602 0.754 -40.546 419 2HG ARG 51 3HG ARG 51 49.571 2.034 -39.904 420 1HD ARG 51 2HD ARG 51 50.348 3.577 -41.563 421 2HD ARG 51 3HD ARG 51 51.576 2.439 -42.116 422 HE ARG 51 HE ARG 51 49.205 1.122 -42.455 423 1HH1 ARG 51 2HH1 ARG 51 50.527 4.156 -43.537 424 2HH1 ARG 51 1HH1 ARG 51 49.631 4.167 -45.020 425 1HH2 ARG 51 2HH2 ARG 51 48.019 1.125 -44.404 426 2HH2 ARG 51 1HH2 ARG 51 48.203 2.444 -45.511 427 H PHE 52 H PHE 52 51.267 2.977 -36.104 428 HA PHE 52 HA PHE 52 53.706 4.439 -35.504 429 1HB PHE 52 2HB PHE 52 51.853 2.931 -33.647 430 2HB PHE 52 3HB PHE 52 53.143 4.029 -33.164 431 HD1 PHE 52 1HD PHE 52 49.731 3.736 -34.315 432 HD2 PHE 52 2HD PHE 52 52.932 6.452 -33.615 433 HE1 PHE 52 1HE PHE 52 48.146 5.617 -34.380 434 HE2 PHE 52 2HE PHE 52 51.352 8.337 -33.678 435 HZ PHE 52 HZ PHE 52 48.955 7.920 -34.059 436 H GLY 53 H GLY 53 52.605 1.158 -35.844 437 1HA GLY 53 2HA GLY 53 54.844 -0.037 -34.499 438 2HA GLY 53 3HA GLY 53 53.656 -0.870 -35.490 439 H LEU 54 H LEU 54 56.548 1.162 -35.642 440 HA LEU 54 HA LEU 54 57.000 0.597 -38.423 441 1HB LEU 54 2HB LEU 54 58.446 2.078 -36.279 442 2HB LEU 54 3HB LEU 54 59.328 1.608 -37.731 443 HG LEU 54 HG LEU 54 58.554 3.898 -37.906 444 1HD1 LEU 54 1HD1 LEU 54 58.068 3.699 -40.082 445 2HD1 LEU 54 2HD1 LEU 54 56.668 2.670 -39.780 446 3HD1 LEU 54 3HD1 LEU 54 58.286 1.972 -39.807 447 1HD2 LEU 54 1HD2 LEU 54 56.337 4.579 -37.700 448 2HD2 LEU 54 2HD2 LEU 54 56.535 3.425 -36.380 449 3HD2 LEU 54 3HD2 LEU 54 55.715 2.937 -37.864 450 H VAL 55 H VAL 55 59.251 0.089 -35.719 451 HA VAL 55 HA VAL 55 59.617 -2.693 -36.527 452 HB VAL 55 HB VAL 55 61.911 -0.732 -36.373 453 1HG1 VAL 55 1HG1 VAL 55 61.847 -3.521 -35.889 454 2HG1 VAL 55 2HG1 VAL 55 62.650 -3.265 -37.440 455 3HG1 VAL 55 3HG1 VAL 55 63.251 -2.458 -35.991 456 1HG2 VAL 55 1HG2 VAL 55 62.230 -1.493 -38.772 457 2HG2 VAL 55 2HG2 VAL 55 60.602 -2.167 -38.671 458 3HG2 VAL 55 3HG2 VAL 55 60.853 -0.434 -38.462 459 HA PRO 56 HA PRO 56 59.660 -2.991 -32.093 460 1HB PRO 56 2HB PRO 56 60.075 -5.672 -31.979 461 2HB PRO 56 3HB PRO 56 58.507 -4.958 -32.375 462 1HG PRO 56 2HG PRO 56 60.596 -6.074 -34.205 463 2HG PRO 56 3HG PRO 56 58.836 -6.282 -34.257 464 1HD PRO 56 2HD PRO 56 60.143 -4.534 -35.859 465 2HD PRO 56 3HD PRO 56 58.496 -4.237 -35.265 466 H GLY 57 H GLY 57 61.258 -2.749 -30.643 467 1HA GLY 57 2HA GLY 57 63.326 -3.534 -29.656 468 2HA GLY 57 3HA GLY 57 63.904 -3.889 -31.278 469 H GLN 58 H GLN 58 62.230 -0.931 -30.422 470 HA GLN 58 HA GLN 58 64.769 0.537 -30.518 471 1HB GLN 58 2HB GLN 58 63.735 2.243 -31.969 472 2HB GLN 58 3HB GLN 58 63.839 0.674 -32.756 473 1HG GLN 58 2HG GLN 58 61.723 1.286 -33.331 474 2HG GLN 58 3HG GLN 58 61.402 0.398 -31.842 475 1HE2 GLN 58 1HE2 GLN 58 59.404 1.775 -32.136 476 2HE2 GLN 58 2HE2 GLN 58 59.408 3.318 -31.357 Start of MODEL 20 1 1H HIS 2 H HIS 2 8.496 19.470 24.521 2 HA HIS 2 HA HIS 2 10.102 21.277 22.840 3 1HB HIS 2 2HB HIS 2 10.889 22.462 24.754 4 2HB HIS 2 3HB HIS 2 9.135 22.397 24.888 5 HD1 HIS 2 1HD HIS 2 12.151 21.738 26.761 6 HD2 HIS 2 2HD HIS 2 8.268 20.262 26.746 7 HE1 HIS 2 1HE HIS 2 11.864 20.578 28.973 8 H LEU 3 H LEU 3 9.857 18.252 23.998 9 HA LEU 3 HA LEU 3 12.569 17.820 24.864 10 1HB LEU 3 2HB LEU 3 10.378 15.878 24.148 11 2HB LEU 3 3HB LEU 3 11.932 15.433 24.849 12 HG LEU 3 HG LEU 3 10.275 17.387 26.345 13 1HD1 LEU 3 1HD1 LEU 3 9.108 15.022 25.427 14 2HD1 LEU 3 2HD1 LEU 3 8.526 16.074 26.718 15 3HD1 LEU 3 3HD1 LEU 3 9.567 14.703 27.100 16 1HD2 LEU 3 1HD2 LEU 3 12.615 16.138 26.839 17 2HD2 LEU 3 2HD2 LEU 3 11.490 15.017 27.605 18 3HD2 LEU 3 3HD2 LEU 3 11.520 16.711 28.097 19 H MET 4 H MET 4 13.931 16.136 23.781 20 HA MET 4 HA MET 4 13.960 16.653 20.897 21 1HB MET 4 2HB MET 4 16.085 15.662 22.799 22 2HB MET 4 3HB MET 4 16.303 15.716 21.055 23 1HG MET 4 2HG MET 4 17.230 17.707 21.573 24 2HG MET 4 3HG MET 4 15.555 18.230 21.422 25 1HE MET 4 1HE MET 4 17.311 20.360 23.761 26 2HE MET 4 2HE MET 4 16.235 20.198 22.372 27 3HE MET 4 3HE MET 4 15.564 20.471 23.981 28 H TYR 5 H TYR 5 12.194 14.684 22.252 29 HA TYR 5 HA TYR 5 12.575 12.532 20.410 30 1HB TYR 5 2HB TYR 5 12.842 10.734 22.053 31 2HB TYR 5 3HB TYR 5 14.195 11.858 22.130 32 HD1 TYR 5 1HD TYR 5 14.233 13.578 23.985 33 HD2 TYR 5 2HD TYR 5 11.523 10.298 23.954 34 HE1 TYR 5 1HE TYR 5 13.856 13.874 26.398 35 HE2 TYR 5 2HE TYR 5 11.139 10.585 26.366 36 HH TYR 5 HH TYR 5 11.522 11.862 28.153 37 H THR 6 H THR 6 10.615 11.900 19.818 38 HA THR 6 HA THR 6 8.305 12.705 21.351 39 HB THR 6 HB THR 6 7.015 11.663 19.467 40 HG1 THR 6 1HG THR 6 8.388 10.147 18.643 41 1HG2 THR 6 1HG2 THR 6 8.977 13.872 19.168 42 2HG2 THR 6 2HG2 THR 6 7.216 13.899 19.063 43 3HG2 THR 6 3HG2 THR 6 8.172 13.300 17.708 44 H LEU 7 H LEU 7 6.891 11.411 22.437 45 HA LEU 7 HA LEU 7 7.814 8.707 23.028 46 1HB LEU 7 2HB LEU 7 5.670 10.394 24.309 47 2HB LEU 7 3HB LEU 7 6.157 8.789 24.853 48 HG LEU 7 HG LEU 7 7.785 11.323 24.940 49 1HD1 LEU 7 1HD1 LEU 7 7.805 10.759 27.385 50 2HD1 LEU 7 2HD1 LEU 7 6.588 9.530 27.040 51 3HD1 LEU 7 3HD1 LEU 7 6.233 11.231 26.736 52 1HD2 LEU 7 1HD2 LEU 7 9.163 9.364 26.316 53 2HD2 LEU 7 2HD2 LEU 7 9.585 10.025 24.735 54 3HD2 LEU 7 3HD2 LEU 7 8.628 8.546 24.846 55 H GLY 8 H GLY 8 6.128 6.989 23.288 56 1HA GLY 8 2HA GLY 8 4.327 7.086 20.969 57 2HA GLY 8 3HA GLY 8 4.913 5.626 21.751 58 HA PRO 9 HA PRO 9 0.553 6.624 23.165 59 1HB PRO 9 2HB PRO 9 -0.553 4.280 22.356 60 2HB PRO 9 3HB PRO 9 -0.442 5.702 21.311 61 1HG PRO 9 2HG PRO 9 1.316 3.281 21.409 62 2HG PRO 9 3HG PRO 9 0.679 4.145 19.997 63 1HD PRO 9 2HD PRO 9 3.211 4.486 20.892 64 2HD PRO 9 3HD PRO 9 2.288 5.791 20.121 65 H ASP 10 H ASP 10 2.965 4.283 23.684 66 HA ASP 10 HA ASP 10 1.545 3.201 26.023 67 1HB ASP 10 2HB ASP 10 3.051 1.310 25.937 68 2HB ASP 10 3HB ASP 10 2.343 1.546 24.342 69 H GLY 11 H GLY 11 4.194 5.138 25.002 70 1HA GLY 11 2HA GLY 11 5.076 6.667 26.714 71 2HA GLY 11 3HA GLY 11 5.123 5.289 27.803 72 H LYS 12 H LYS 12 6.040 4.620 24.585 73 HA LYS 12 HA LYS 12 8.767 4.137 25.434 74 1HB LYS 12 2HB LYS 12 7.215 2.701 23.847 75 2HB LYS 12 3HB LYS 12 7.870 3.764 22.610 76 1HG LYS 12 2HG LYS 12 9.232 1.843 22.627 77 2HG LYS 12 3HG LYS 12 10.163 3.113 23.426 78 1HD LYS 12 2HD LYS 12 10.493 1.399 24.903 79 2HD LYS 12 3HD LYS 12 9.023 2.100 25.584 80 1HE LYS 12 2HE LYS 12 8.801 -0.303 25.468 81 2HE LYS 12 3HE LYS 12 7.691 0.450 24.326 82 1HZ LYS 12 1HZ LYS 12 10.039 0.016 22.940 83 2HZ LYS 12 2HZ LYS 12 8.583 -0.827 22.770 84 3HZ LYS 12 3HZ LYS 12 9.773 -1.401 23.826 85 H ARG 13 H ARG 13 10.555 5.243 24.818 86 HA ARG 13 HA ARG 13 10.179 7.878 23.732 87 1HB ARG 13 2HB ARG 13 12.807 6.510 24.302 88 2HB ARG 13 3HB ARG 13 12.488 8.238 24.225 89 1HG ARG 13 2HG ARG 13 10.873 7.762 26.202 90 2HG ARG 13 3HG ARG 13 11.824 6.285 26.380 91 1HD ARG 13 2HD ARG 13 13.089 9.007 26.215 92 2HD ARG 13 3HD ARG 13 12.557 8.306 27.743 93 HE ARG 13 HE ARG 13 14.181 6.436 26.458 94 1HH1 ARG 13 2HH1 ARG 13 14.436 9.595 27.899 95 2HH1 ARG 13 1HH1 ARG 13 16.094 9.394 28.359 96 1HH2 ARG 13 2HH2 ARG 13 16.364 6.159 27.060 97 2HH2 ARG 13 1HH2 ARG 13 17.190 7.440 27.881 98 H ILE 14 H ILE 14 10.957 8.692 21.797 99 HA ILE 14 HA ILE 14 12.161 6.831 19.892 100 HB ILE 14 HB ILE 14 9.673 8.425 19.261 101 1HG1 ILE 14 2HG1 ILE 14 10.056 5.427 19.370 102 2HG1 ILE 14 3HG1 ILE 14 9.309 6.377 20.648 103 1HG2 ILE 14 1HG2 ILE 14 9.782 7.311 17.076 104 2HG2 ILE 14 2HG2 ILE 14 11.193 8.326 17.370 105 3HG2 ILE 14 3HG2 ILE 14 11.316 6.575 17.538 106 1HD1 ILE 14 1HD1 ILE 14 8.297 5.900 17.865 107 2HD1 ILE 14 2HD1 ILE 14 7.553 5.437 19.396 108 3HD1 ILE 14 3HD1 ILE 14 7.629 7.136 18.931 109 H TYR 15 H TYR 15 14.026 7.890 19.558 110 HA TYR 15 HA TYR 15 14.495 10.610 19.705 111 1HB TYR 15 2HB TYR 15 15.926 8.709 17.843 112 2HB TYR 15 3HB TYR 15 16.560 10.200 18.529 113 HD1 TYR 15 1HD TYR 15 17.094 6.912 18.699 114 HD2 TYR 15 2HD TYR 15 15.972 10.065 21.325 115 HE1 TYR 15 1HE TYR 15 18.004 5.644 20.599 116 HE2 TYR 15 2HE TYR 15 16.880 8.807 23.233 117 HH TYR 15 HH TYR 15 17.285 6.168 23.671 118 H THR 16 H THR 16 13.304 12.081 18.659 119 HA THR 16 HA THR 16 13.165 11.888 15.728 120 HB THR 16 HB THR 16 10.893 13.100 15.976 121 HG1 THR 16 1HG THR 16 11.294 13.201 18.385 122 1HG2 THR 16 1HG2 THR 16 11.394 10.668 15.265 123 2HG2 THR 16 2HG2 THR 16 9.752 11.074 15.765 124 3HG2 THR 16 3HG2 THR 16 10.833 10.240 16.881 125 H LEU 17 H LEU 17 14.864 13.388 17.698 126 HA LEU 17 HA LEU 17 14.232 16.066 17.898 127 1HB LEU 17 2HB LEU 17 16.193 14.963 18.926 128 2HB LEU 17 3HB LEU 17 16.963 14.915 17.341 129 HG LEU 17 HG LEU 17 17.689 16.742 18.976 130 1HD1 LEU 17 1HD1 LEU 17 17.710 16.590 16.272 131 2HD1 LEU 17 2HD1 LEU 17 18.463 17.883 17.205 132 3HD1 LEU 17 3HD1 LEU 17 16.855 18.113 16.517 133 1HD2 LEU 17 1HD2 LEU 17 15.273 18.197 17.968 134 2HD2 LEU 17 2HD2 LEU 17 16.353 18.617 19.297 135 3HD2 LEU 17 3HD2 LEU 17 15.216 17.280 19.473 136 H LYS 18 H LYS 18 15.839 14.394 15.211 137 HA LYS 18 HA LYS 18 16.313 16.636 13.605 138 1HB LYS 18 2HB LYS 18 16.327 14.968 11.712 139 2HB LYS 18 3HB LYS 18 17.405 14.597 13.049 140 1HG LYS 18 2HG LYS 18 15.899 12.935 13.887 141 2HG LYS 18 3HG LYS 18 14.669 13.392 12.706 142 1HD LYS 18 2HD LYS 18 15.576 11.562 11.666 143 2HD LYS 18 3HD LYS 18 16.587 12.840 10.990 144 1HE LYS 18 2HE LYS 18 17.373 11.376 13.488 145 2HE LYS 18 3HE LYS 18 17.738 10.727 11.890 146 1HZ LYS 18 1HZ LYS 18 19.570 11.962 12.015 147 2HZ LYS 18 2HZ LYS 18 18.992 12.875 13.316 148 3HZ LYS 18 3HZ LYS 18 18.576 13.302 11.733 149 H LYS 19 H LYS 19 15.074 17.833 12.289 150 HA LYS 19 HA LYS 19 12.293 17.836 12.494 151 1HB LYS 19 2HB LYS 19 13.866 19.701 11.695 152 2HB LYS 19 3HB LYS 19 13.776 18.936 10.115 153 1HG LYS 19 2HG LYS 19 12.137 20.531 9.950 154 2HG LYS 19 3HG LYS 19 11.204 19.128 10.474 155 1HD LYS 19 2HD LYS 19 11.342 19.926 12.797 156 2HD LYS 19 3HD LYS 19 12.235 21.344 12.244 157 1HE LYS 19 2HE LYS 19 9.498 20.640 11.216 158 2HE LYS 19 3HE LYS 19 9.749 21.652 12.637 159 1HZ LYS 19 1HZ LYS 19 11.333 22.882 10.918 160 2HZ LYS 19 2HZ LYS 19 9.694 23.266 11.082 161 3HZ LYS 19 3HZ LYS 19 10.203 22.254 9.826 162 H VAL 20 H VAL 20 10.677 16.866 11.404 163 HA VAL 20 HA VAL 20 11.368 14.707 9.601 164 HB VAL 20 HB VAL 20 8.612 15.565 10.482 165 1HG1 VAL 20 1HG1 VAL 20 8.168 14.092 8.812 166 2HG1 VAL 20 2HG1 VAL 20 9.722 13.271 8.972 167 3HG1 VAL 20 3HG1 VAL 20 8.423 12.934 10.117 168 1HG2 VAL 20 1HG2 VAL 20 8.785 13.881 12.235 169 2HG2 VAL 20 2HG2 VAL 20 10.448 13.538 11.758 170 3HG2 VAL 20 3HG2 VAL 20 10.030 15.114 12.431 171 H THR 21 H THR 21 11.457 14.925 7.474 172 HA THR 21 HA THR 21 10.081 17.198 6.220 173 HB THR 21 HB THR 21 12.352 15.498 5.171 174 HG1 THR 21 1HG THR 21 13.096 16.923 6.727 175 1HG2 THR 21 1HG2 THR 21 12.363 17.600 3.546 176 2HG2 THR 21 2HG2 THR 21 10.640 17.582 3.921 177 3HG2 THR 21 3HG2 THR 21 11.401 16.163 3.202 178 H GLU 22 H GLU 22 10.538 13.706 5.987 179 HA GLU 22 HA GLU 22 8.686 13.502 3.763 180 1HB GLU 22 2HB GLU 22 10.045 11.318 5.351 181 2HB GLU 22 3HB GLU 22 9.165 11.108 3.844 182 1HG GLU 22 2HG GLU 22 10.839 11.990 2.576 183 2HG GLU 22 3HG GLU 22 11.440 13.012 3.879 184 H SER 23 H SER 23 6.615 12.795 3.855 185 HA SER 23 HA SER 23 5.537 12.157 6.524 186 1HB SER 23 2HB SER 23 4.868 14.414 5.590 187 2HB SER 23 3HB SER 23 4.012 13.549 4.315 188 HG SER 23 HG SER 23 2.859 14.194 6.380 189 H GLY 24 H GLY 24 6.535 10.276 4.581 190 1HA GLY 24 2HA GLY 24 5.858 8.127 4.015 191 2HA GLY 24 3HA GLY 24 4.211 8.564 4.445 192 H GLU 25 H GLU 25 3.525 7.439 2.539 193 HA GLU 25 HA GLU 25 4.171 8.790 0.012 194 1HB GLU 25 2HB GLU 25 4.402 6.241 0.331 195 2HB GLU 25 3HB GLU 25 2.645 6.209 0.261 196 1HG GLU 25 2HG GLU 25 2.644 7.088 -1.955 197 2HG GLU 25 3HG GLU 25 4.379 7.392 -1.890 198 H ILE 26 H ILE 26 2.713 10.027 -0.979 199 HA ILE 26 HA ILE 26 -0.036 10.029 0.069 200 HB ILE 26 HB ILE 26 1.398 12.221 -1.435 201 1HG1 ILE 26 2HG1 ILE 26 0.951 13.289 0.974 202 2HG1 ILE 26 3HG1 ILE 26 1.073 11.601 1.461 203 1HG2 ILE 26 1HG2 ILE 26 -1.346 12.021 -0.229 204 2HG2 ILE 26 2HG2 ILE 26 -0.573 13.570 -0.562 205 3HG2 ILE 26 3HG2 ILE 26 -0.900 12.446 -1.882 206 1HD1 ILE 26 1HD1 ILE 26 3.287 11.477 0.963 207 2HD1 ILE 26 2HD1 ILE 26 3.188 12.701 -0.304 208 3HD1 ILE 26 3HD1 ILE 26 3.172 13.184 1.392 209 H THR 27 H THR 27 -1.728 9.645 -1.243 210 HA THR 27 HA THR 27 -1.401 8.335 -3.682 211 HB THR 27 HB THR 27 -3.835 8.659 -4.011 212 HG1 THR 27 1HG THR 27 -3.860 10.069 -1.553 213 1HG2 THR 27 1HG2 THR 27 -3.368 8.022 -1.113 214 2HG2 THR 27 2HG2 THR 27 -2.779 6.959 -2.391 215 3HG2 THR 27 3HG2 THR 27 -4.505 7.284 -2.241 216 H LYS 28 H LYS 28 -2.206 9.001 -5.814 217 HA LYS 28 HA LYS 28 -1.291 11.702 -6.435 218 1HB LYS 28 2HB LYS 28 -0.324 9.950 -7.776 219 2HB LYS 28 3HB LYS 28 -1.914 9.316 -8.180 220 1HG LYS 28 2HG LYS 28 -2.348 10.985 -9.694 221 2HG LYS 28 3HG LYS 28 -1.243 12.122 -8.920 222 1HD LYS 28 2HD LYS 28 -0.176 9.632 -10.187 223 2HD LYS 28 3HD LYS 28 -0.595 11.021 -11.193 224 1HE LYS 28 2HE LYS 28 1.283 11.103 -8.834 225 2HE LYS 28 3HE LYS 28 1.790 10.972 -10.518 226 1HZ LYS 28 1HZ LYS 28 1.248 13.287 -9.087 227 2HZ LYS 28 2HZ LYS 28 0.008 13.138 -10.227 228 3HZ LYS 28 3HZ LYS 28 1.622 13.155 -10.731 229 H SER 29 H SER 29 -4.180 9.746 -6.451 230 HA SER 29 HA SER 29 -5.700 12.082 -7.416 231 1HB SER 29 2HB SER 29 -5.645 10.072 -8.973 232 2HB SER 29 3HB SER 29 -6.572 9.208 -7.746 233 HG SER 29 HG SER 29 -8.170 10.062 -8.861 234 H ALA 30 H ALA 30 -7.055 12.915 -5.981 235 HA ALA 30 HA ALA 30 -8.260 11.164 -3.957 236 1HB ALA 30 1HB ALA 30 -7.535 13.838 -2.981 237 2HB ALA 30 2HB ALA 30 -7.445 12.270 -2.178 238 3HB ALA 30 3HB ALA 30 -6.176 12.761 -3.299 239 H HIS 31 H HIS 31 -10.365 11.270 -4.402 240 HA HIS 31 HA HIS 31 -12.455 12.087 -4.781 241 1HB HIS 31 2HB HIS 31 -11.772 13.457 -2.739 242 2HB HIS 31 3HB HIS 31 -11.430 14.770 -3.862 243 HD1 HIS 31 1HD HIS 31 -14.170 13.105 -2.069 244 HD2 HIS 31 2HD HIS 31 -13.761 15.765 -5.234 245 HE1 HIS 31 1HE HIS 31 -16.453 14.103 -2.407 246 HA PRO 32 HA PRO 32 -10.922 13.961 -8.770 247 1HB PRO 32 2HB PRO 32 -11.959 12.029 -10.370 248 2HB PRO 32 3HB PRO 32 -10.351 11.914 -9.643 249 1HG PRO 32 2HG PRO 32 -12.925 10.671 -8.753 250 2HG PRO 32 3HG PRO 32 -11.304 9.955 -8.830 251 1HD PRO 32 2HD PRO 32 -12.389 10.864 -6.520 252 2HD PRO 32 3HD PRO 32 -10.645 10.928 -6.847 253 H ALA 33 H ALA 33 -13.940 12.870 -7.479 254 HA ALA 33 HA ALA 33 -16.104 13.500 -7.806 255 1HB ALA 33 1HB ALA 33 -16.509 15.776 -8.064 256 2HB ALA 33 2HB ALA 33 -14.885 15.725 -7.377 257 3HB ALA 33 3HB ALA 33 -15.102 16.008 -9.104 258 H ARG 34 H ARG 34 -15.161 11.803 -9.757 259 HA ARG 34 HA ARG 34 -15.476 12.666 -12.402 260 1HB ARG 34 2HB ARG 34 -14.539 10.438 -11.485 261 2HB ARG 34 3HB ARG 34 -16.212 9.898 -11.492 262 1HG ARG 34 2HG ARG 34 -16.360 10.289 -13.879 263 2HG ARG 34 3HG ARG 34 -14.711 10.915 -13.895 264 1HD ARG 34 2HD ARG 34 -15.433 8.133 -12.996 265 2HD ARG 34 3HD ARG 34 -14.963 8.532 -14.648 266 HE ARG 34 HE ARG 34 -12.982 9.517 -12.967 267 1HH1 ARG 34 2HH1 ARG 34 -14.339 6.436 -13.860 268 2HH1 ARG 34 1HH1 ARG 34 -12.866 5.565 -13.593 269 1HH2 ARG 34 2HH2 ARG 34 -11.037 8.379 -12.612 270 2HH2 ARG 34 1HH2 ARG 34 -10.989 6.670 -12.883 271 H PHE 35 H PHE 35 -17.201 12.983 -13.691 272 HA PHE 35 HA PHE 35 -19.852 12.178 -12.722 273 1HB PHE 35 2HB PHE 35 -20.808 14.321 -13.163 274 2HB PHE 35 3HB PHE 35 -19.378 14.597 -12.173 275 HD1 PHE 35 1HD PHE 35 -21.134 15.722 -14.941 276 HD2 PHE 35 2HD PHE 35 -17.159 14.957 -13.626 277 HE1 PHE 35 1HE PHE 35 -20.277 17.295 -16.627 278 HE2 PHE 35 2HE PHE 35 -16.296 16.530 -15.310 279 HZ PHE 35 HZ PHE 35 -17.855 17.702 -16.813 280 H SER 36 H SER 36 -21.203 11.429 -14.265 281 HA SER 36 HA SER 36 -21.941 10.678 -16.282 282 1HB SER 36 2HB SER 36 -22.291 12.560 -17.464 283 2HB SER 36 3HB SER 36 -20.832 13.317 -16.825 284 HG SER 36 HG SER 36 -19.820 12.808 -18.593 285 HA PRO 37 HA PRO 37 -18.937 7.927 -17.908 286 1HB PRO 37 2HB PRO 37 -19.835 7.507 -20.434 287 2HB PRO 37 3HB PRO 37 -20.648 6.858 -19.006 288 1HG PRO 37 2HG PRO 37 -21.309 9.291 -20.620 289 2HG PRO 37 3HG PRO 37 -22.398 8.058 -19.958 290 1HD PRO 37 2HD PRO 37 -22.034 10.468 -18.775 291 2HD PRO 37 3HD PRO 37 -22.377 8.992 -17.850 292 H ASP 38 H ASP 38 -19.741 10.543 -20.186 293 HA ASP 38 HA ASP 38 -18.443 11.866 -21.506 294 1HB ASP 38 2HB ASP 38 -17.188 12.144 -19.326 295 2HB ASP 38 3HB ASP 38 -16.083 10.894 -19.893 296 H ASP 39 H ASP 39 -18.679 8.794 -21.816 297 HA ASP 39 HA ASP 39 -16.352 8.044 -23.308 298 1HB ASP 39 2HB ASP 39 -18.125 6.553 -22.066 299 2HB ASP 39 3HB ASP 39 -18.978 6.637 -23.605 300 H LYS 40 H LYS 40 -19.296 9.684 -24.014 301 HA LYS 40 HA LYS 40 -19.034 9.256 -26.888 302 1HB LYS 40 2HB LYS 40 -21.089 10.855 -25.350 303 2HB LYS 40 3HB LYS 40 -21.149 10.472 -27.065 304 1HG LYS 40 2HG LYS 40 -21.159 8.400 -24.884 305 2HG LYS 40 3HG LYS 40 -22.616 9.063 -25.629 306 1HD LYS 40 2HD LYS 40 -20.470 7.924 -27.364 307 2HD LYS 40 3HD LYS 40 -21.565 6.832 -26.513 308 1HE LYS 40 2HE LYS 40 -22.705 7.123 -28.481 309 2HE LYS 40 3HE LYS 40 -23.407 8.414 -27.507 310 1HZ LYS 40 1HZ LYS 40 -22.181 8.676 -29.952 311 2HZ LYS 40 2HZ LYS 40 -21.061 9.296 -28.848 312 3HZ LYS 40 3HZ LYS 40 -22.628 9.929 -28.907 313 H TYR 41 H TYR 41 -18.694 11.791 -24.475 314 HA TYR 41 HA TYR 41 -18.399 13.975 -26.211 315 1HB TYR 41 2HB TYR 41 -17.687 13.400 -23.382 316 2HB TYR 41 3HB TYR 41 -16.894 14.772 -24.148 317 HD1 TYR 41 1HD TYR 41 -17.885 16.805 -23.740 318 HD2 TYR 41 2HD TYR 41 -20.357 13.353 -24.020 319 HE1 TYR 41 1HE TYR 41 -19.868 18.196 -23.309 320 HE2 TYR 41 2HE TYR 41 -22.346 14.734 -23.592 321 HH TYR 41 HH TYR 41 -22.846 16.941 -22.464 322 H SER 42 H SER 42 -16.227 11.428 -25.317 323 HA SER 42 HA SER 42 -13.792 12.700 -26.011 324 1HB SER 42 2HB SER 42 -12.787 10.562 -25.810 325 2HB SER 42 3HB SER 42 -14.105 10.562 -24.639 326 HG SER 42 HG SER 42 -14.674 8.804 -25.642 327 H ARG 43 H ARG 43 -12.702 12.841 -27.909 328 HA ARG 43 HA ARG 43 -14.216 12.380 -30.328 329 1HB ARG 43 2HB ARG 43 -12.499 13.620 -31.449 330 2HB ARG 43 3HB ARG 43 -12.858 14.447 -29.939 331 1HG ARG 43 2HG ARG 43 -10.873 13.260 -28.946 332 2HG ARG 43 3HG ARG 43 -10.470 12.743 -30.584 333 1HD ARG 43 2HD ARG 43 -10.800 15.608 -29.702 334 2HD ARG 43 3HD ARG 43 -9.255 14.779 -29.882 335 HE ARG 43 HE ARG 43 -10.832 15.918 -31.958 336 1HH1 ARG 43 2HH1 ARG 43 -8.665 13.292 -31.230 337 2HH1 ARG 43 1HH1 ARG 43 -8.123 13.112 -32.866 338 1HH2 ARG 43 2HH2 ARG 43 -10.126 15.690 -34.116 339 2HH2 ARG 43 1HH2 ARG 43 -8.955 14.478 -34.507 340 H GLN 44 H GLN 44 -11.636 10.873 -28.580 341 HA GLN 44 HA GLN 44 -10.314 9.459 -30.556 342 1HB GLN 44 2HB GLN 44 -9.548 8.003 -28.858 343 2HB GLN 44 3HB GLN 44 -9.777 9.562 -28.077 344 1HG GLN 44 2HG GLN 44 -10.761 8.232 -26.530 345 2HG GLN 44 3HG GLN 44 -12.159 8.547 -27.557 346 1HE2 GLN 44 1HE2 GLN 44 -13.118 6.624 -26.819 347 2HE2 GLN 44 2HE2 GLN 44 -12.608 5.082 -27.407 348 H ARG 45 H ARG 45 -13.482 8.952 -29.212 349 HA ARG 45 HA ARG 45 -13.895 6.284 -29.973 350 1HB ARG 45 2HB ARG 45 -15.392 7.470 -28.443 351 2HB ARG 45 3HB ARG 45 -15.899 8.536 -29.746 352 1HG ARG 45 2HG ARG 45 -17.627 7.007 -29.613 353 2HG ARG 45 3HG ARG 45 -16.641 6.375 -30.932 354 1HD ARG 45 2HD ARG 45 -16.231 5.456 -28.108 355 2HD ARG 45 3HD ARG 45 -17.483 4.742 -29.124 356 HE ARG 45 HE ARG 45 -15.199 4.627 -30.630 357 1HH1 ARG 45 2HH1 ARG 45 -16.169 3.475 -27.492 358 2HH1 ARG 45 1HH1 ARG 45 -15.127 2.091 -27.533 359 1HH2 ARG 45 2HH2 ARG 45 -13.823 2.809 -30.697 360 2HH2 ARG 45 1HH2 ARG 45 -13.792 1.714 -29.357 361 H VAL 46 H VAL 46 -13.965 9.251 -31.790 362 HA VAL 46 HA VAL 46 -15.351 8.176 -34.058 363 HB VAL 46 HB VAL 46 -13.649 10.663 -33.831 364 1HG1 VAL 46 1HG1 VAL 46 -15.513 9.704 -35.994 365 2HG1 VAL 46 2HG1 VAL 46 -14.932 11.365 -35.867 366 3HG1 VAL 46 3HG1 VAL 46 -13.789 10.047 -36.131 367 1HG2 VAL 46 1HG2 VAL 46 -16.607 10.192 -33.534 368 2HG2 VAL 46 2HG2 VAL 46 -15.491 10.868 -32.347 369 3HG2 VAL 46 3HG2 VAL 46 -15.904 11.788 -33.794 370 H THR 47 H THR 47 -11.968 8.763 -33.212 371 HA THR 47 HA THR 47 -10.842 8.101 -35.701 372 HB THR 47 HB THR 47 -8.871 7.365 -33.999 373 HG1 THR 47 1HG THR 47 -9.635 7.742 -32.044 374 1HG2 THR 47 1HG2 THR 47 -9.770 10.055 -34.968 375 2HG2 THR 47 2HG2 THR 47 -8.412 9.070 -35.511 376 3HG2 THR 47 3HG2 THR 47 -8.332 9.904 -33.960 377 H LEU 48 H LEU 48 -9.191 6.160 -35.770 378 HA LEU 48 HA LEU 48 -9.951 3.737 -34.501 379 1HB LEU 48 2HB LEU 48 -10.732 2.575 -36.563 380 2HB LEU 48 3HB LEU 48 -11.852 3.777 -35.923 381 HG LEU 48 HG LEU 48 -10.632 5.309 -37.721 382 1HD1 LEU 48 1HD1 LEU 48 -10.701 3.072 -39.531 383 2HD1 LEU 48 2HD1 LEU 48 -9.500 2.819 -38.266 384 3HD1 LEU 48 3HD1 LEU 48 -9.431 4.267 -39.269 385 1HD2 LEU 48 1HD2 LEU 48 -12.727 3.317 -38.559 386 2HD2 LEU 48 2HD2 LEU 48 -12.491 4.961 -39.154 387 3HD2 LEU 48 3HD2 LEU 48 -13.062 4.692 -37.506 388 H LYS 49 H LYS 49 -8.285 2.354 -34.564 389 HA LYS 49 HA LYS 49 -5.926 3.093 -36.046 390 1HB LYS 49 2HB LYS 49 -5.578 2.317 -33.816 391 2HB LYS 49 3HB LYS 49 -6.530 0.867 -34.103 392 1HG LYS 49 2HG LYS 49 -4.184 0.320 -34.050 393 2HG LYS 49 3HG LYS 49 -4.820 0.075 -35.679 394 1HD LYS 49 2HD LYS 49 -2.696 1.160 -35.873 395 2HD LYS 49 3HD LYS 49 -3.945 2.340 -36.274 396 1HE LYS 49 2HE LYS 49 -3.768 3.337 -34.088 397 2HE LYS 49 3HE LYS 49 -2.643 2.085 -33.567 398 1HZ LYS 49 1HZ LYS 49 -1.055 3.477 -34.212 399 2HZ LYS 49 2HZ LYS 49 -2.135 4.484 -35.036 400 3HZ LYS 49 3HZ LYS 49 -1.493 3.123 -35.808 401 H LYS 50 H LYS 50 -5.354 2.356 -37.977 402 HA LYS 50 HA LYS 50 -6.472 -0.205 -38.902 403 1HB LYS 50 2HB LYS 50 -6.442 2.456 -40.268 404 2HB LYS 50 3HB LYS 50 -6.307 0.998 -41.243 405 1HG LYS 50 2HG LYS 50 -8.500 1.233 -39.235 406 2HG LYS 50 3HG LYS 50 -8.635 2.056 -40.791 407 1HD LYS 50 2HD LYS 50 -8.577 0.042 -41.988 408 2HD LYS 50 3HD LYS 50 -7.929 -0.857 -40.614 409 1HE LYS 50 2HE LYS 50 -10.638 0.429 -40.508 410 2HE LYS 50 3HE LYS 50 -10.409 -1.169 -41.217 411 1HZ LYS 50 1HZ LYS 50 -10.459 -2.023 -39.192 412 2HZ LYS 50 2HZ LYS 50 -10.644 -0.487 -38.509 413 3HZ LYS 50 3HZ LYS 50 -9.096 -1.122 -38.752 414 H ARG 51 H ARG 51 -4.831 -1.578 -39.074 415 HA ARG 51 HA ARG 51 -2.377 -0.659 -40.407 416 1HB ARG 51 2HB ARG 51 -2.161 -0.879 -37.870 417 2HB ARG 51 3HB ARG 51 -2.345 -2.612 -38.112 418 1HG ARG 51 2HG ARG 51 -0.035 -2.231 -37.984 419 2HG ARG 51 3HG ARG 51 -0.379 -2.458 -39.700 420 1HD ARG 51 2HD ARG 51 0.985 -0.602 -39.744 421 2HD ARG 51 3HD ARG 51 -0.616 0.136 -39.709 422 HE ARG 51 HE ARG 51 0.105 -0.075 -37.083 423 1HH1 ARG 51 2HH1 ARG 51 1.502 1.385 -39.919 424 2HH1 ARG 51 1HH1 ARG 51 2.292 2.650 -39.038 425 1HH2 ARG 51 2HH2 ARG 51 1.142 1.587 -35.912 426 2HH2 ARG 51 1HH2 ARG 51 2.087 2.763 -36.759 427 H PHE 52 H PHE 52 -1.284 -2.217 -41.640 428 HA PHE 52 HA PHE 52 -2.980 -4.454 -42.464 429 1HB PHE 52 2HB PHE 52 -0.481 -3.404 -43.803 430 2HB PHE 52 3HB PHE 52 -1.658 -4.522 -44.485 431 HD1 PHE 52 1HD PHE 52 -3.939 -3.711 -45.047 432 HD2 PHE 52 2HD PHE 52 -0.808 -1.069 -43.892 433 HE1 PHE 52 1HE PHE 52 -5.192 -1.817 -45.996 434 HE2 PHE 52 2HE PHE 52 -2.056 0.828 -44.837 435 HZ PHE 52 HZ PHE 52 -4.251 0.457 -45.890 436 H GLY 53 H GLY 53 0.474 -3.843 -41.802 437 1HA GLY 53 2HA GLY 53 1.882 -5.171 -40.475 438 2HA GLY 53 3HA GLY 53 0.645 -6.417 -40.448 439 H LEU 54 H LEU 54 0.180 -6.894 -43.083 440 HA LEU 54 HA LEU 54 2.773 -7.959 -43.967 441 1HB LEU 54 2HB LEU 54 0.904 -9.546 -43.429 442 2HB LEU 54 3HB LEU 54 0.028 -8.873 -44.802 443 HG LEU 54 HG LEU 54 1.717 -9.702 -46.327 444 1HD1 LEU 54 1HD1 LEU 54 3.721 -9.510 -45.092 445 2HD1 LEU 54 2HD1 LEU 54 3.498 -11.231 -45.403 446 3HD1 LEU 54 3HD1 LEU 54 3.122 -10.567 -43.814 447 1HD2 LEU 54 1HD2 LEU 54 1.527 -12.211 -45.670 448 2HD2 LEU 54 2HD2 LEU 54 0.071 -11.301 -46.072 449 3HD2 LEU 54 3HD2 LEU 54 0.482 -11.607 -44.385 450 H VAL 55 H VAL 55 3.621 -7.366 -45.869 451 HA VAL 55 HA VAL 55 1.936 -5.780 -47.697 452 HB VAL 55 HB VAL 55 3.537 -4.317 -46.598 453 1HG1 VAL 55 1HG1 VAL 55 5.648 -4.872 -46.140 454 2HG1 VAL 55 2HG1 VAL 55 5.221 -6.509 -46.643 455 3HG1 VAL 55 3HG1 VAL 55 5.952 -5.394 -47.797 456 1HG2 VAL 55 1HG2 VAL 55 4.193 -4.914 -49.480 457 2HG2 VAL 55 2HG2 VAL 55 3.000 -3.766 -48.872 458 3HG2 VAL 55 3HG2 VAL 55 4.720 -3.466 -48.620 459 HA PRO 56 HA PRO 56 2.994 -8.865 -50.685 460 1HB PRO 56 2HB PRO 56 2.117 -7.535 -52.884 461 2HB PRO 56 3HB PRO 56 1.024 -8.301 -51.724 462 1HG PRO 56 2HG PRO 56 1.821 -5.425 -51.962 463 2HG PRO 56 3HG PRO 56 0.218 -6.120 -51.663 464 1HD PRO 56 2HD PRO 56 1.751 -5.091 -49.683 465 2HD PRO 56 3HD PRO 56 0.640 -6.451 -49.421 466 H GLY 57 H GLY 57 4.926 -9.292 -51.542 467 1HA GLY 57 2HA GLY 57 6.692 -7.066 -52.239 468 2HA GLY 57 3HA GLY 57 7.176 -8.739 -52.004 469 H GLN 58 H GLN 58 8.357 -8.704 -53.954 470 HA GLN 58 HA GLN 58 6.701 -8.621 -56.388 471 1HB GLN 58 2HB GLN 58 8.846 -8.215 -57.597 472 2HB GLN 58 3HB GLN 58 8.410 -6.934 -56.474 473 1HG GLN 58 2HG GLN 58 9.968 -7.903 -54.822 474 2HG GLN 58 3HG GLN 58 10.453 -9.097 -56.026 475 1HE2 GLN 58 1HE2 GLN 58 10.766 -5.866 -54.926 476 2HE2 GLN 58 2HE2 GLN 58 11.947 -5.351 -56.076
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