NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
24142 | 2k0q | 15655 | cing | 1-original | 7 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 VAL 1 1HT VAL 1 13.415 -0.020 5.897 2 H2 VAL 1 2HT VAL 1 13.778 1.214 4.801 3 H3 VAL 1 3HT VAL 1 13.300 -0.306 4.231 4 HA VAL 1 HA VAL 1 11.477 1.222 4.034 5 HB VAL 1 HB VAL 1 11.113 -0.773 6.282 6 HG11 VAL 1 2HG1 VAL 1 8.990 0.557 4.597 7 HG12 VAL 1 3HG1 VAL 1 9.314 0.894 6.299 8 HG13 VAL 1 1HG1 VAL 1 8.729 -0.697 5.810 9 HG21 VAL 1 1HG2 VAL 1 10.537 -0.993 3.330 10 HG22 VAL 1 2HG2 VAL 1 10.224 -2.233 4.543 11 HG23 VAL 1 3HG2 VAL 1 11.882 -1.753 4.182 12 H ASP 2 H ASP 2 12.652 0.917 7.358 13 HA ASP 2 HA ASP 2 12.596 2.284 9.160 14 HB2 ASP 2 2HB ASP 2 11.866 4.393 7.125 15 HB3 ASP 2 1HB ASP 2 12.117 4.735 8.833 16 H MET 3 H MET 3 11.068 1.698 10.521 17 HA MET 3 HA MET 3 8.299 1.722 9.720 18 HB2 MET 3 2HB MET 3 9.471 1.041 12.415 19 HB3 MET 3 1HB MET 3 7.863 0.635 11.833 20 HG2 MET 3 2HG MET 3 10.497 -0.460 10.898 21 HG3 MET 3 1HG MET 3 9.177 -1.322 11.682 22 HE1 MET 3 3HE MET 3 6.630 -0.130 10.089 23 HE2 MET 3 1HE MET 3 6.848 -1.826 10.520 24 HE3 MET 3 2HE MET 3 6.458 -1.379 8.857 25 H SER 4 H SER 4 10.259 4.082 10.721 26 HA SER 4 HA SER 4 8.437 5.328 12.609 27 HB2 SER 4 2HB SER 4 10.898 5.372 13.001 28 HB3 SER 4 1HB SER 4 11.080 6.350 11.545 29 HG SER 4 HG SER 4 9.703 7.017 13.940 30 H ASN 5 H ASN 5 9.207 5.448 9.227 31 HA ASN 5 HA ASN 5 7.805 8.019 9.033 32 HB2 ASN 5 2HB ASN 5 8.848 8.243 6.792 33 HB3 ASN 5 1HB ASN 5 9.985 8.252 8.115 34 HD21 ASN 5 1HD2 ASN 5 8.546 5.305 6.854 35 HD22 ASN 5 2HD2 ASN 5 10.012 4.671 6.198 36 H VAL 6 H VAL 6 7.084 4.939 8.883 37 HA VAL 6 HA VAL 6 5.300 5.270 6.578 38 HB VAL 6 HB VAL 6 6.742 3.317 6.454 39 HG11 VAL 6 1HG1 VAL 6 6.540 1.443 7.974 40 HG12 VAL 6 2HG1 VAL 6 5.400 2.354 8.970 41 HG13 VAL 6 3HG1 VAL 6 7.075 2.892 8.825 42 HG21 VAL 6 3HG2 VAL 6 3.835 2.678 6.892 43 HG22 VAL 6 1HG2 VAL 6 4.996 1.580 6.145 44 HG23 VAL 6 2HG2 VAL 6 4.622 3.124 5.377 45 H VAL 7 H VAL 7 3.178 5.496 6.836 46 HA VAL 7 HA VAL 7 2.107 5.587 9.538 47 HB VAL 7 HB VAL 7 -0.086 6.164 8.377 48 HG11 VAL 7 1HG1 VAL 7 2.283 7.952 7.884 49 HG12 VAL 7 2HG1 VAL 7 1.333 7.861 9.367 50 HG13 VAL 7 3HG1 VAL 7 0.590 8.451 7.879 51 HG21 VAL 7 3HG2 VAL 7 -0.020 6.870 6.080 52 HG22 VAL 7 1HG2 VAL 7 0.501 5.189 6.181 53 HG23 VAL 7 2HG2 VAL 7 1.695 6.474 5.965 54 H LYS 8 H LYS 8 2.050 3.423 6.838 55 HA LYS 8 HA LYS 8 0.942 1.317 8.395 56 HB2 LYS 8 2HB LYS 8 -1.122 2.599 7.835 57 HB3 LYS 8 1HB LYS 8 -0.790 2.339 6.132 58 HG2 LYS 8 2HG LYS 8 -2.417 0.752 6.757 59 HG3 LYS 8 1HG LYS 8 -0.897 -0.135 6.613 60 HD2 LYS 8 2HD LYS 8 -0.602 -0.033 9.036 61 HD3 LYS 8 1HD LYS 8 -2.105 0.880 9.187 62 HE2 LYS 8 2HE LYS 8 -3.322 -1.041 8.213 63 HE3 LYS 8 1HE LYS 8 -1.811 -1.949 8.177 64 HZ1 LYS 8 3HZ LYS 8 -3.147 -0.884 10.611 65 HZ2 LYS 8 1HZ LYS 8 -1.675 -1.726 10.592 66 HZ3 LYS 8 2HZ LYS 8 -3.109 -2.511 10.132 67 H THR 9 H THR 9 1.613 -0.541 7.641 68 HA THR 9 HA THR 9 2.643 -0.650 4.892 69 HB THR 9 HB THR 9 3.462 -2.044 7.407 70 HG1 THR 9 1HG THR 9 4.830 -0.466 7.112 71 HG21 THR 9 3HG2 THR 9 4.184 -2.966 4.627 72 HG22 THR 9 1HG2 THR 9 3.161 -3.845 5.765 73 HG23 THR 9 2HG2 THR 9 4.865 -3.582 6.132 74 H TYR 10 H TYR 10 1.925 -2.139 3.515 75 HA TYR 10 HA TYR 10 -0.328 -3.797 4.396 76 HB2 TYR 10 2HB TYR 10 0.052 -2.076 2.060 77 HB3 TYR 10 1HB TYR 10 -0.567 -3.683 1.680 78 HD1 TYR 10 2HD TYR 10 -2.458 -4.448 3.508 79 HD2 TYR 10 1HD TYR 10 -1.517 -0.476 2.339 80 HE1 TYR 10 2HE TYR 10 -4.706 -3.712 4.203 81 HE2 TYR 10 1HE TYR 10 -3.753 0.275 3.024 82 HH TYR 10 HH TYR 10 -5.907 -0.541 3.447 83 H ASP 11 H ASP 11 -0.184 -5.820 4.285 84 HA ASP 11 HA ASP 11 2.084 -7.022 2.895 85 HB2 ASP 11 2HB ASP 11 1.207 -7.453 5.443 86 HB3 ASP 11 1HB ASP 11 0.379 -8.750 4.579 87 H LEU 12 H LEU 12 1.751 -7.992 1.100 88 HA LEU 12 HA LEU 12 -0.941 -8.116 0.012 89 HB2 LEU 12 2HB LEU 12 1.792 -8.531 -1.184 90 HB3 LEU 12 1HB LEU 12 0.335 -8.964 -2.060 91 HG LEU 12 HG LEU 12 -0.422 -6.591 -1.797 92 HD11 LEU 12 1HD1 LEU 12 0.980 -5.976 0.095 93 HD12 LEU 12 2HD1 LEU 12 1.175 -4.877 -1.270 94 HD13 LEU 12 3HD1 LEU 12 2.404 -6.099 -0.938 95 HD21 LEU 12 3HD2 LEU 12 0.520 -7.413 -3.874 96 HD22 LEU 12 1HD2 LEU 12 2.143 -7.048 -3.288 97 HD23 LEU 12 2HD2 LEU 12 1.000 -5.740 -3.588 98 H GLN 13 H GLN 13 -1.904 -10.013 -0.800 99 HA GLN 13 HA GLN 13 -1.552 -12.280 0.832 100 HB2 GLN 13 2HB GLN 13 -3.647 -11.481 -0.407 101 HB3 GLN 13 1HB GLN 13 -2.966 -12.250 -1.833 102 HG2 GLN 13 2HG GLN 13 -2.959 -14.394 -0.693 103 HG3 GLN 13 1HG GLN 13 -3.603 -13.627 0.757 104 HE21 GLN 13 1HE2 GLN 13 -5.359 -11.861 -0.807 105 HE22 GLN 13 2HE2 GLN 13 -6.656 -12.857 -1.377 106 H ASP 14 H ASP 14 0.156 -11.214 -1.800 107 HA ASP 14 HA ASP 14 0.963 -13.808 -2.851 108 HB2 ASP 14 2HB ASP 14 0.611 -12.205 -4.550 109 HB3 ASP 14 1HB ASP 14 1.414 -10.933 -3.642 110 H GLY 15 H GLY 15 1.838 -11.556 -0.533 111 HA2 GLY 15 2HA GLY 15 3.541 -12.139 1.089 112 HA3 GLY 15 1HA GLY 15 4.514 -12.765 -0.229 113 H SER 16 H SER 16 3.646 -10.356 -1.841 114 HA SER 16 HA SER 16 5.928 -8.783 -1.269 115 HB2 SER 16 2HB SER 16 3.558 -8.093 -3.017 116 HB3 SER 16 1HB SER 16 5.155 -7.361 -3.084 117 HG SER 16 HG SER 16 4.309 -9.890 -3.964 118 H LYS 17 H LYS 17 5.802 -6.408 -0.769 119 HA LYS 17 HA LYS 17 3.542 -5.868 1.034 120 HB2 LYS 17 2HB LYS 17 6.508 -5.647 1.597 121 HB3 LYS 17 1HB LYS 17 5.278 -4.887 2.612 122 HG2 LYS 17 2HG LYS 17 4.478 -6.907 3.387 123 HG3 LYS 17 1HG LYS 17 5.105 -7.798 1.998 124 HD2 LYS 17 2HD LYS 17 7.367 -7.529 2.802 125 HD3 LYS 17 1HD LYS 17 6.796 -6.537 4.147 126 HE2 LYS 17 2HE LYS 17 7.301 -9.026 4.577 127 HE3 LYS 17 1HE LYS 17 5.814 -8.339 5.227 128 HZ1 LYS 17 3HZ LYS 17 4.526 -9.492 3.757 129 HZ2 LYS 17 1HZ LYS 17 5.800 -10.595 3.939 130 HZ3 LYS 17 2HZ LYS 17 5.734 -9.593 2.573 131 H VAL 18 H VAL 18 2.953 -3.780 1.329 132 HA VAL 18 HA VAL 18 4.303 -1.733 -0.314 133 HB VAL 18 HB VAL 18 1.337 -2.162 0.190 134 HG11 VAL 18 1HG1 VAL 18 0.943 -0.139 -1.156 135 HG12 VAL 18 2HG1 VAL 18 2.679 0.155 -1.224 136 HG13 VAL 18 3HG1 VAL 18 1.833 0.232 0.322 137 HG21 VAL 18 3HG2 VAL 18 2.876 -2.042 -2.409 138 HG22 VAL 18 1HG2 VAL 18 1.160 -2.390 -2.214 139 HG23 VAL 18 2HG2 VAL 18 2.365 -3.525 -1.605 140 H HIS 19 H HIS 19 4.446 0.346 0.647 141 HA HIS 19 HA HIS 19 3.342 0.557 3.363 142 HB2 HIS 19 2HB HIS 19 5.993 1.802 2.772 143 HB3 HIS 19 1HB HIS 19 5.303 1.345 4.319 144 HD1 HIS 19 1HD HIS 19 4.967 -1.561 4.267 145 HD2 HIS 19 2HD HIS 19 8.091 0.309 2.325 146 HE1 HIS 19 1HE HIS 19 6.690 -3.356 3.910 147 HE2 HIS 19 2HE HIS 19 8.530 -2.251 2.592 148 H VAL 20 H VAL 20 2.250 2.356 3.690 149 HA VAL 20 HA VAL 20 2.545 4.523 1.738 150 HB VAL 20 HB VAL 20 0.549 4.353 4.011 151 HG11 VAL 20 1HG1 VAL 20 -0.609 6.140 2.793 152 HG12 VAL 20 2HG1 VAL 20 0.671 6.147 1.580 153 HG13 VAL 20 3HG1 VAL 20 1.028 6.627 3.238 154 HG21 VAL 20 3HG2 VAL 20 -1.107 3.769 2.288 155 HG22 VAL 20 1HG2 VAL 20 0.148 2.539 2.440 156 HG23 VAL 20 2HG2 VAL 20 0.188 3.676 1.092 157 H PHE 21 H PHE 21 3.887 6.100 2.226 158 HA PHE 21 HA PHE 21 5.077 6.066 4.875 159 HB2 PHE 21 2HB PHE 21 5.867 7.329 2.266 160 HB3 PHE 21 1HB PHE 21 6.720 7.673 3.766 161 HD1 PHE 21 1HD PHE 21 6.019 5.183 1.195 162 HD2 PHE 21 2HD PHE 21 8.120 5.953 4.840 163 HE1 PHE 21 1HE PHE 21 7.381 3.162 0.855 164 HE2 PHE 21 2HE PHE 21 9.464 3.936 4.485 165 HZ PHE 21 HZ PHE 21 9.152 2.561 2.567 166 H LYS 22 H LYS 22 5.481 7.994 6.050 167 HA LYS 22 HA LYS 22 3.178 9.616 6.337 168 HB2 LYS 22 2HB LYS 22 5.955 9.769 7.516 169 HB3 LYS 22 1HB LYS 22 4.656 10.861 7.983 170 HG2 LYS 22 2HG LYS 22 3.372 9.090 8.887 171 HG3 LYS 22 1HG LYS 22 4.426 7.874 8.172 172 HD2 LYS 22 2HD LYS 22 4.699 8.261 10.648 173 HD3 LYS 22 1HD LYS 22 6.173 8.365 9.686 174 HE2 LYS 22 2HE LYS 22 6.268 10.684 9.863 175 HE3 LYS 22 1HE LYS 22 4.575 10.813 10.343 176 HZ1 LYS 22 3HZ LYS 22 5.987 11.171 12.243 177 HZ2 LYS 22 1HZ LYS 22 6.790 9.699 11.983 178 HZ3 LYS 22 2HZ LYS 22 5.159 9.705 12.440 179 H ASP 23 H ASP 23 5.820 9.802 4.263 180 HA ASP 23 HA ASP 23 5.716 12.666 3.903 181 HB2 ASP 23 2HB ASP 23 7.878 11.405 3.830 182 HB3 ASP 23 1HB ASP 23 7.299 10.579 2.389 183 H GLY 24 H GLY 24 3.985 10.028 3.011 184 HA2 GLY 24 2HA GLY 24 2.017 10.258 1.819 185 HA3 GLY 24 1HA GLY 24 2.732 11.575 0.933 186 H LYS 25 H LYS 25 5.146 9.539 0.542 187 HA LYS 25 HA LYS 25 4.061 8.420 -1.874 188 HB2 LYS 25 2HB LYS 25 6.774 8.766 -0.689 189 HB3 LYS 25 1HB LYS 25 6.544 7.501 -1.887 190 HG2 LYS 25 2HG LYS 25 7.373 9.591 -2.834 191 HG3 LYS 25 1HG LYS 25 5.833 9.103 -3.524 192 HD2 LYS 25 2HD LYS 25 5.832 11.485 -3.151 193 HD3 LYS 25 1HD LYS 25 4.714 10.725 -2.019 194 HE2 LYS 25 2HE LYS 25 6.085 12.463 -0.953 195 HE3 LYS 25 1HE LYS 25 6.351 10.869 -0.249 196 HZ1 LYS 25 3HZ LYS 25 8.417 12.090 -0.589 197 HZ2 LYS 25 1HZ LYS 25 8.115 12.168 -2.257 198 HZ3 LYS 25 2HZ LYS 25 8.386 10.667 -1.512 199 H MET 26 H MET 26 5.282 6.109 -2.230 200 HA MET 26 HA MET 26 4.590 4.371 -0.009 201 HB2 MET 26 2HB MET 26 3.446 4.085 -2.799 202 HB3 MET 26 1HB MET 26 3.299 2.886 -1.526 203 HG2 MET 26 2HG MET 26 1.262 3.969 -1.480 204 HG3 MET 26 1HG MET 26 2.162 4.746 -0.179 205 HE1 MET 26 3HE MET 26 2.660 5.315 -4.036 206 HE2 MET 26 1HE MET 26 1.563 6.667 -4.339 207 HE3 MET 26 2HE MET 26 0.916 5.089 -3.901 208 H GLY 27 H GLY 27 5.664 2.434 -0.032 209 HA2 GLY 27 2HA GLY 27 7.604 2.039 -2.223 210 HA3 GLY 27 1HA GLY 27 8.049 1.826 -0.535 211 H MET 28 H MET 28 7.800 -0.005 -2.993 212 HA MET 28 HA MET 28 6.084 -2.014 -1.696 213 HB2 MET 28 2HB MET 28 5.136 -1.197 -3.822 214 HB3 MET 28 1HB MET 28 6.600 -1.695 -4.660 215 HG2 MET 28 2HG MET 28 6.166 -4.005 -4.149 216 HG3 MET 28 1HG MET 28 4.777 -3.562 -3.160 217 HE1 MET 28 3HE MET 28 4.800 -5.729 -5.567 218 HE2 MET 28 1HE MET 28 3.238 -5.377 -6.306 219 HE3 MET 28 2HE MET 28 3.398 -5.400 -4.549 220 H GLU 29 H GLU 29 6.822 -4.027 -1.456 221 HA GLU 29 HA GLU 29 9.497 -4.685 -2.486 222 HB2 GLU 29 2HB GLU 29 8.420 -5.051 0.316 223 HB3 GLU 29 1HB GLU 29 9.791 -5.971 -0.296 224 HG2 GLU 29 2HG GLU 29 11.113 -4.059 -0.530 225 HG3 GLU 29 1HG GLU 29 9.735 -2.978 -0.328 226 H ASN 30 H ASN 30 9.784 -6.998 -2.837 227 HA ASN 30 HA ASN 30 7.263 -8.365 -3.338 228 HB2 ASN 30 2HB ASN 30 8.567 -10.028 -4.503 229 HB3 ASN 30 1HB ASN 30 9.153 -8.438 -4.987 230 HD21 ASN 30 1HD2 ASN 30 10.485 -10.980 -5.131 231 HD22 ASN 30 2HD2 ASN 30 11.938 -10.823 -4.190 232 H LYS 31 H LYS 31 7.043 -10.677 -2.655 233 HA LYS 31 HA LYS 31 7.153 -11.204 -0.001 234 HB2 LYS 31 2HB LYS 31 7.026 -13.617 -0.601 235 HB3 LYS 31 1HB LYS 31 5.853 -12.580 -1.394 236 HG2 LYS 31 2HG LYS 31 7.245 -12.602 -3.423 237 HG3 LYS 31 1HG LYS 31 8.366 -13.702 -2.613 238 HD2 LYS 31 2HD LYS 31 6.634 -15.366 -2.386 239 HD3 LYS 31 1HD LYS 31 5.436 -14.260 -3.056 240 HE2 LYS 31 2HE LYS 31 6.726 -14.219 -5.173 241 HE3 LYS 31 1HE LYS 31 7.821 -15.418 -4.495 242 HZ1 LYS 31 3HZ LYS 31 6.073 -16.373 -5.923 243 HZ2 LYS 31 1HZ LYS 31 4.901 -15.820 -4.833 244 HZ3 LYS 31 2HZ LYS 31 6.029 -16.981 -4.339 245 H PHE 32 H PHE 32 9.977 -10.638 -1.518 246 HA PHE 32 HA PHE 32 11.426 -12.477 0.254 247 HB2 PHE 32 2HB PHE 32 12.282 -11.417 -2.446 248 HB3 PHE 32 1HB PHE 32 13.332 -12.318 -1.354 249 HD1 PHE 32 1HD PHE 32 12.789 -14.685 -0.812 250 HD2 PHE 32 2HD PHE 32 10.723 -12.519 -3.834 251 HE1 PHE 32 1HE PHE 32 11.995 -16.802 -1.771 252 HE2 PHE 32 2HE PHE 32 9.920 -14.635 -4.803 253 HZ PHE 32 HZ PHE 32 10.508 -16.766 -3.761 254 H GLY 33 H GLY 33 10.410 -9.417 0.058 255 HA2 GLY 33 2HA GLY 33 10.972 -7.734 1.531 256 HA3 GLY 33 1HA GLY 33 12.423 -8.624 1.953 257 H LYS 34 H LYS 34 11.712 -8.004 -1.363 258 HA LYS 34 HA LYS 34 13.937 -6.075 -1.378 259 HB2 LYS 34 2HB LYS 34 13.081 -7.981 -3.553 260 HB3 LYS 34 1HB LYS 34 14.426 -6.844 -3.653 261 HG2 LYS 34 2HG LYS 34 14.225 -8.896 -1.507 262 HG3 LYS 34 1HG LYS 34 14.978 -9.245 -3.062 263 HD2 LYS 34 2HD LYS 34 16.641 -7.551 -2.683 264 HD3 LYS 34 1HD LYS 34 15.786 -6.970 -1.252 265 HE2 LYS 34 2HE LYS 34 17.057 -9.684 -1.561 266 HE3 LYS 34 1HE LYS 34 17.737 -8.330 -0.659 267 HZ1 LYS 34 3HZ LYS 34 15.898 -8.406 0.860 268 HZ2 LYS 34 1HZ LYS 34 16.577 -9.957 0.759 269 HZ3 LYS 34 2HZ LYS 34 15.127 -9.615 -0.047 270 H SER 35 H SER 35 13.852 -4.299 -2.466 271 HA SER 35 HA SER 35 11.202 -3.183 -2.674 272 HB2 SER 35 2HB SER 35 13.857 -1.845 -3.184 273 HB3 SER 35 1HB SER 35 12.323 -1.060 -2.811 274 HG SER 35 HG SER 35 13.407 -2.956 -1.033 275 H MET 36 H MET 36 10.066 -2.806 -4.452 276 HA MET 36 HA MET 36 11.393 -2.391 -6.998 277 HB2 MET 36 2HB MET 36 9.585 -4.048 -7.997 278 HB3 MET 36 1HB MET 36 11.154 -4.620 -7.457 279 HG2 MET 36 2HG MET 36 9.554 -6.145 -6.648 280 HG3 MET 36 1HG MET 36 10.095 -5.198 -5.268 281 HE1 MET 36 3HE MET 36 7.205 -5.923 -7.789 282 HE2 MET 36 1HE MET 36 7.539 -4.224 -8.122 283 HE3 MET 36 2HE MET 36 6.017 -4.691 -7.361 284 H ASN 37 H ASN 37 9.999 -1.449 -8.604 285 HA ASN 37 HA ASN 37 8.332 0.514 -7.427 286 HB2 ASN 37 2HB ASN 37 7.990 1.374 -9.647 287 HB3 ASN 37 1HB ASN 37 9.668 0.865 -9.513 288 HD21 ASN 37 1HD2 ASN 37 10.374 -0.930 -10.660 289 HD22 ASN 37 2HD2 ASN 37 9.460 -1.602 -11.974 290 H MET 38 H MET 38 6.162 0.773 -7.391 291 HA MET 38 HA MET 38 4.556 -1.612 -7.761 292 HB2 MET 38 2HB MET 38 4.323 -0.258 -5.705 293 HB3 MET 38 1HB MET 38 3.804 1.112 -6.675 294 HG2 MET 38 2HG MET 38 1.812 -0.062 -7.354 295 HG3 MET 38 1HG MET 38 2.347 -1.517 -6.512 296 HE1 MET 38 3HE MET 38 -0.673 -0.341 -4.323 297 HE2 MET 38 1HE MET 38 0.027 -1.665 -5.252 298 HE3 MET 38 2HE MET 38 -0.533 -0.209 -6.076 299 HA PRO 39 HA PRO 39 3.378 -0.303 -11.838 300 HB2 PRO 39 2HB PRO 39 1.323 -2.393 -11.594 301 HB3 PRO 39 1HB PRO 39 2.657 -2.261 -12.744 302 HG2 PRO 39 2HG PRO 39 2.654 -4.085 -10.768 303 HG3 PRO 39 1HG PRO 39 4.147 -3.318 -11.339 304 HD2 PRO 39 2HD PRO 39 2.538 -2.741 -8.881 305 HD3 PRO 39 1HD PRO 39 4.300 -2.788 -9.096 306 H GLU 40 H GLU 40 2.167 1.438 -12.201 307 HA GLU 40 HA GLU 40 -0.080 2.147 -10.620 308 HB2 GLU 40 2HB GLU 40 1.372 3.806 -11.765 309 HB3 GLU 40 1HB GLU 40 0.751 3.247 -13.314 310 HG2 GLU 40 2HG GLU 40 -1.533 3.883 -12.537 311 HG3 GLU 40 1HG GLU 40 -0.787 4.601 -11.112 312 H GLY 41 H GLY 41 -2.249 2.003 -11.047 313 HA2 GLY 41 2HA GLY 41 -4.147 1.688 -12.401 314 HA3 GLY 41 1HA GLY 41 -3.113 1.023 -13.655 315 H LYS 42 H LYS 42 -1.988 -0.595 -11.167 316 HA LYS 42 HA LYS 42 -3.850 -2.800 -11.614 317 HB2 LYS 42 2HB LYS 42 -1.012 -2.701 -10.638 318 HB3 LYS 42 1HB LYS 42 -1.993 -4.155 -10.539 319 HG2 LYS 42 2HG LYS 42 -1.240 -2.680 -13.054 320 HG3 LYS 42 1HG LYS 42 -0.587 -4.225 -12.502 321 HD2 LYS 42 2HD LYS 42 -2.838 -5.209 -12.645 322 HD3 LYS 42 1HD LYS 42 -3.459 -3.670 -13.245 323 HE2 LYS 42 2HE LYS 42 -3.110 -5.104 -15.121 324 HE3 LYS 42 1HE LYS 42 -1.868 -3.854 -15.152 325 HZ1 LYS 42 3HZ LYS 42 -1.530 -6.647 -14.202 326 HZ2 LYS 42 1HZ LYS 42 -0.328 -5.452 -14.127 327 HZ3 LYS 42 2HZ LYS 42 -0.900 -5.988 -15.631 328 H VAL 43 H VAL 43 -5.257 -3.331 -10.147 329 HA VAL 43 HA VAL 43 -4.880 -2.483 -7.391 330 HB VAL 43 HB VAL 43 -7.099 -2.117 -8.326 331 HG11 VAL 43 1HG1 VAL 43 -7.156 -3.900 -9.976 332 HG12 VAL 43 2HG1 VAL 43 -8.569 -3.980 -8.923 333 HG13 VAL 43 3HG1 VAL 43 -7.232 -5.105 -8.690 334 HG21 VAL 43 3HG2 VAL 43 -6.935 -2.575 -5.940 335 HG22 VAL 43 1HG2 VAL 43 -7.114 -4.302 -6.248 336 HG23 VAL 43 2HG2 VAL 43 -8.446 -3.201 -6.596 337 H MET 44 H MET 44 -4.279 -3.818 -5.795 338 HA MET 44 HA MET 44 -4.064 -6.686 -6.417 339 HB2 MET 44 2HB MET 44 -1.983 -4.925 -5.118 340 HB3 MET 44 1HB MET 44 -1.916 -6.682 -5.109 341 HG2 MET 44 2HG MET 44 -1.831 -6.694 -7.549 342 HG3 MET 44 1HG MET 44 -1.903 -4.932 -7.557 343 HE1 MET 44 3HE MET 44 -0.072 -4.080 -5.173 344 HE2 MET 44 1HE MET 44 0.032 -3.354 -6.777 345 HE3 MET 44 2HE MET 44 1.494 -3.917 -5.967 346 H GLU 45 H GLU 45 -3.876 -8.053 -4.489 347 HA GLU 45 HA GLU 45 -5.589 -6.965 -2.382 348 HB2 GLU 45 2HB GLU 45 -5.242 -9.701 -3.526 349 HB3 GLU 45 1HB GLU 45 -5.833 -9.523 -1.880 350 HG2 GLU 45 2HG GLU 45 -7.687 -8.202 -2.642 351 HG3 GLU 45 1HG GLU 45 -7.078 -8.250 -4.302 352 H THR 46 H THR 46 -5.345 -7.745 -0.281 353 HA THR 46 HA THR 46 -2.538 -8.236 0.477 354 HB THR 46 HB THR 46 -2.960 -7.094 2.573 355 HG1 THR 46 1HG THR 46 -5.049 -6.035 2.842 356 HG21 THR 46 3HG2 THR 46 -3.971 -5.490 0.220 357 HG22 THR 46 1HG2 THR 46 -2.284 -5.710 0.679 358 HG23 THR 46 2HG2 THR 46 -3.376 -4.817 1.738 359 H ARG 47 H ARG 47 -2.294 -9.481 2.548 360 HA ARG 47 HA ARG 47 -3.796 -11.876 2.518 361 HB2 ARG 47 2HB ARG 47 -2.766 -12.181 4.826 362 HB3 ARG 47 1HB ARG 47 -1.687 -12.109 3.444 363 HG2 ARG 47 2HG ARG 47 -1.034 -9.900 4.010 364 HG3 ARG 47 1HG ARG 47 -2.292 -9.790 5.250 365 HD2 ARG 47 2HD ARG 47 -1.187 -11.785 6.344 366 HD3 ARG 47 1HD ARG 47 0.158 -11.533 5.234 367 HE ARG 47 HE ARG 47 -0.535 -9.171 6.702 368 HH11 ARG 47 1HH1 ARG 47 1.226 -12.191 6.889 369 HH12 ARG 47 2HH1 ARG 47 2.386 -11.602 8.039 370 HH21 ARG 47 1HH2 ARG 47 0.976 -8.393 8.232 371 HH22 ARG 47 2HH2 ARG 47 2.244 -9.434 8.806 372 H ASP 48 H ASP 48 -4.428 -8.863 3.777 373 HA ASP 48 HA ASP 48 -6.012 -9.796 6.026 374 HB2 ASP 48 2HB ASP 48 -4.449 -7.970 6.343 375 HB3 ASP 48 1HB ASP 48 -5.248 -7.025 5.086 376 H GLY 49 H GLY 49 -6.393 -8.856 2.774 377 HA2 GLY 49 2HA GLY 49 -8.410 -9.493 1.650 378 HA3 GLY 49 1HA GLY 49 -9.298 -9.153 3.128 379 H THR 50 H THR 50 -6.931 -6.835 2.252 380 HA THR 50 HA THR 50 -9.046 -4.979 1.448 381 HB THR 50 HB THR 50 -6.165 -4.218 1.914 382 HG1 THR 50 1HG THR 50 -8.169 -4.731 3.878 383 HG21 THR 50 3HG2 THR 50 -7.167 -2.091 2.606 384 HG22 THR 50 1HG2 THR 50 -8.777 -2.763 2.329 385 HG23 THR 50 2HG2 THR 50 -7.670 -2.541 0.976 386 H LYS 51 H LYS 51 -8.731 -3.682 -0.465 387 HA LYS 51 HA LYS 51 -6.771 -4.792 -2.350 388 HB2 LYS 51 2HB LYS 51 -9.527 -3.694 -2.942 389 HB3 LYS 51 1HB LYS 51 -8.315 -4.021 -4.175 390 HG2 LYS 51 2HG LYS 51 -8.268 -6.391 -3.375 391 HG3 LYS 51 1HG LYS 51 -9.653 -6.003 -2.356 392 HD2 LYS 51 2HD LYS 51 -10.981 -5.447 -4.293 393 HD3 LYS 51 1HD LYS 51 -9.583 -5.660 -5.351 394 HE2 LYS 51 2HE LYS 51 -9.471 -8.032 -4.680 395 HE3 LYS 51 1HE LYS 51 -10.918 -7.800 -3.698 396 HZ1 LYS 51 3HZ LYS 51 -11.382 -8.771 -5.889 397 HZ2 LYS 51 1HZ LYS 51 -10.785 -7.373 -6.634 398 HZ3 LYS 51 2HZ LYS 51 -12.176 -7.294 -5.659 399 H ILE 52 H ILE 52 -5.459 -3.411 -3.366 400 HA ILE 52 HA ILE 52 -5.796 -0.537 -2.877 401 HB ILE 52 HB ILE 52 -3.378 -0.359 -2.341 402 HG12 ILE 52 2HG1 ILE 52 -3.499 -3.379 -2.135 403 HG13 ILE 52 1HG1 ILE 52 -2.669 -2.486 -3.403 404 HG21 ILE 52 1HG2 ILE 52 -4.922 -2.147 -0.467 405 HG22 ILE 52 2HG2 ILE 52 -5.059 -0.393 -0.558 406 HG23 ILE 52 3HG2 ILE 52 -3.547 -1.131 -0.035 407 HD11 ILE 52 3HD1 ILE 52 -1.096 -3.280 -1.757 408 HD12 ILE 52 1HD1 ILE 52 -1.992 -2.468 -0.474 409 HD13 ILE 52 2HD1 ILE 52 -1.175 -1.517 -1.714 410 H ILE 53 H ILE 53 -4.531 0.807 -4.268 411 HA ILE 53 HA ILE 53 -2.980 -0.371 -6.383 412 HB ILE 53 HB ILE 53 -4.908 -0.700 -7.653 413 HG12 ILE 53 2HG1 ILE 53 -3.636 1.934 -8.336 414 HG13 ILE 53 1HG1 ILE 53 -3.432 0.369 -9.114 415 HG21 ILE 53 1HG2 ILE 53 -5.936 2.002 -6.821 416 HG22 ILE 53 2HG2 ILE 53 -6.480 0.450 -6.189 417 HG23 ILE 53 3HG2 ILE 53 -6.752 0.858 -7.884 418 HD11 ILE 53 3HD1 ILE 53 -5.643 0.542 -10.087 419 HD12 ILE 53 1HD1 ILE 53 -4.669 1.958 -10.498 420 HD13 ILE 53 2HD1 ILE 53 -5.909 2.070 -9.247 421 H MET 54 H MET 54 -1.718 1.131 -7.519 422 HA MET 54 HA MET 54 -1.538 3.757 -6.204 423 HB2 MET 54 2HB MET 54 0.540 2.453 -6.123 424 HB3 MET 54 1HB MET 54 0.501 2.250 -7.870 425 HG2 MET 54 2HG MET 54 0.801 4.636 -8.176 426 HG3 MET 54 1HG MET 54 0.774 4.881 -6.431 427 HE1 MET 54 3HE MET 54 4.509 5.608 -7.308 428 HE2 MET 54 1HE MET 54 3.042 6.215 -6.541 429 HE3 MET 54 2HE MET 54 3.098 6.003 -8.290 430 H LYS 55 H LYS 55 -2.411 5.379 -7.306 431 HA LYS 55 HA LYS 55 -2.209 5.375 -10.219 432 HB2 LYS 55 2HB LYS 55 -4.432 4.419 -9.645 433 HB3 LYS 55 1HB LYS 55 -4.811 5.892 -8.764 434 HG2 LYS 55 2HG LYS 55 -5.840 5.910 -10.960 435 HG3 LYS 55 1HG LYS 55 -4.619 7.181 -10.837 436 HD2 LYS 55 2HD LYS 55 -3.013 5.642 -11.968 437 HD3 LYS 55 1HD LYS 55 -4.343 4.508 -12.211 438 HE2 LYS 55 2HE LYS 55 -5.535 6.156 -13.541 439 HE3 LYS 55 1HE LYS 55 -4.265 7.344 -13.243 440 HZ1 LYS 55 3HZ LYS 55 -3.903 6.409 -15.382 441 HZ2 LYS 55 1HZ LYS 55 -4.036 4.820 -14.793 442 HZ3 LYS 55 2HZ LYS 55 -2.705 5.780 -14.359 443 H GLY 56 H GLY 56 -1.671 7.297 -10.995 444 HA2 GLY 56 2HA GLY 56 -1.131 9.523 -11.080 445 HA3 GLY 56 1HA GLY 56 -2.520 9.781 -10.040 446 H ASN 57 H ASN 57 0.401 7.937 -9.274 447 HA ASN 57 HA ASN 57 2.056 8.224 -7.744 448 HB2 ASN 57 2HB ASN 57 2.051 10.575 -8.929 449 HB3 ASN 57 1HB ASN 57 1.377 11.129 -7.401 450 HD21 ASN 57 1HD2 ASN 57 2.854 9.355 -5.718 451 HD22 ASN 57 2HD2 ASN 57 4.509 9.884 -5.749 452 H GLU 58 H GLU 58 -1.016 8.210 -7.129 453 HA GLU 58 HA GLU 58 -0.771 8.700 -4.237 454 HB2 GLU 58 2HB GLU 58 -3.257 8.546 -5.946 455 HB3 GLU 58 1HB GLU 58 -3.238 8.791 -4.206 456 HG2 GLU 58 2HG GLU 58 -1.959 10.895 -4.591 457 HG3 GLU 58 1HG GLU 58 -2.211 10.661 -6.322 458 H ILE 59 H ILE 59 -2.635 7.248 -3.136 459 HA ILE 59 HA ILE 59 -2.422 4.537 -4.188 460 HB ILE 59 HB ILE 59 -1.002 5.467 -1.912 461 HG12 ILE 59 2HG1 ILE 59 -0.329 3.768 -3.590 462 HG13 ILE 59 1HG1 ILE 59 -0.062 3.261 -1.929 463 HG21 ILE 59 1HG2 ILE 59 -1.731 3.930 -0.159 464 HG22 ILE 59 2HG2 ILE 59 -3.101 3.437 -1.153 465 HG23 ILE 59 3HG2 ILE 59 -2.997 5.092 -0.555 466 HD11 ILE 59 3HD1 ILE 59 -0.933 1.443 -3.287 467 HD12 ILE 59 1HD1 ILE 59 -2.354 2.410 -3.684 468 HD13 ILE 59 2HD1 ILE 59 -2.077 1.893 -2.020 469 H PHE 60 H PHE 60 -4.352 3.758 -4.437 470 HA PHE 60 HA PHE 60 -6.659 4.661 -2.926 471 HB2 PHE 60 2HB PHE 60 -7.357 4.152 -5.042 472 HB3 PHE 60 1HB PHE 60 -6.072 2.992 -5.304 473 HD1 PHE 60 1HD PHE 60 -6.378 0.653 -4.208 474 HD2 PHE 60 2HD PHE 60 -9.525 3.463 -4.695 475 HE1 PHE 60 1HE PHE 60 -8.041 -1.142 -3.909 476 HE2 PHE 60 2HE PHE 60 -11.179 1.694 -4.405 477 HZ PHE 60 HZ PHE 60 -10.333 -0.753 -4.270 478 H ARG 61 H ARG 61 -6.902 3.957 -0.919 479 HA ARG 61 HA ARG 61 -6.402 1.094 -0.455 480 HB2 ARG 61 2HB ARG 61 -5.147 2.540 1.110 481 HB3 ARG 61 1HB ARG 61 -6.633 3.362 1.564 482 HG2 ARG 61 2HG ARG 61 -7.468 1.089 2.336 483 HG3 ARG 61 1HG ARG 61 -5.796 0.546 2.173 484 HD2 ARG 61 2HD ARG 61 -5.064 2.233 3.755 485 HD3 ARG 61 1HD ARG 61 -6.705 2.866 3.873 486 HE ARG 61 HE ARG 61 -6.251 0.069 4.583 487 HH11 ARG 61 1HH1 ARG 61 -6.863 3.352 5.633 488 HH12 ARG 61 2HH1 ARG 61 -7.428 2.892 7.206 489 HH21 ARG 61 1HH2 ARG 61 -6.982 -0.558 6.649 490 HH22 ARG 61 2HH2 ARG 61 -7.496 0.656 7.791 491 H LEU 62 H LEU 62 -8.235 0.093 -0.810 492 HA LEU 62 HA LEU 62 -10.376 0.016 -1.737 493 HB2 LEU 62 2HB LEU 62 -12.093 -0.100 -0.011 494 HB3 LEU 62 1HB LEU 62 -10.643 -0.970 0.444 495 HG LEU 62 HG LEU 62 -10.717 1.782 1.451 496 HD11 LEU 62 1HD1 LEU 62 -12.760 -0.214 2.421 497 HD12 LEU 62 2HD1 LEU 62 -13.106 1.281 1.553 498 HD13 LEU 62 3HD1 LEU 62 -12.396 1.344 3.166 499 HD21 LEU 62 3HD2 LEU 62 -9.061 0.133 2.145 500 HD22 LEU 62 1HD2 LEU 62 -10.344 -0.915 2.750 501 HD23 LEU 62 2HD2 LEU 62 -10.049 0.647 3.516 502 H ASP 63 H ASP 63 -9.203 2.850 -1.597 503 HA ASP 63 HA ASP 63 -9.722 4.960 -2.106 504 HB2 ASP 63 2HB ASP 63 -10.886 4.245 -3.997 505 HB3 ASP 63 1HB ASP 63 -12.220 3.641 -3.037 506 H GLU 64 H GLU 64 -12.458 3.525 -0.401 507 HA GLU 64 HA GLU 64 -13.400 6.029 0.565 508 HB2 GLU 64 2HB GLU 64 -14.041 3.238 1.516 509 HB3 GLU 64 1HB GLU 64 -14.912 4.696 1.981 510 HG2 GLU 64 2HG GLU 64 -15.350 5.056 -0.483 511 HG3 GLU 64 1HG GLU 64 -14.757 3.414 -0.726 512 H ALA 65 H ALA 65 -10.903 3.954 1.674 513 HA ALA 65 HA ALA 65 -10.852 4.816 4.391 514 HB1 ALA 65 1HB ALA 65 -9.610 2.850 3.295 515 HB2 ALA 65 2HB ALA 65 -8.778 3.768 4.546 516 HB3 ALA 65 3HB ALA 65 -8.401 4.049 2.846 517 H LEU 66 H LEU 66 -9.829 6.090 1.383 518 HA LEU 66 HA LEU 66 -8.365 8.318 2.537 519 HB2 LEU 66 2HB LEU 66 -9.275 7.939 -0.313 520 HB3 LEU 66 1HB LEU 66 -8.001 8.998 0.267 521 HG LEU 66 HG LEU 66 -7.803 6.023 0.603 522 HD11 LEU 66 1HD1 LEU 66 -6.986 7.639 -1.805 523 HD12 LEU 66 2HD1 LEU 66 -8.238 6.395 -1.748 524 HD13 LEU 66 3HD1 LEU 66 -6.547 5.957 -1.502 525 HD21 LEU 66 3HD2 LEU 66 -6.248 7.439 1.866 526 HD22 LEU 66 1HD2 LEU 66 -5.736 8.214 0.368 527 HD23 LEU 66 2HD2 LEU 66 -5.407 6.500 0.632 528 H ARG 67 H ARG 67 -11.469 7.530 1.216 529 HA ARG 67 HA ARG 67 -12.575 10.053 0.835 530 HB2 ARG 67 2HB ARG 67 -13.622 7.991 0.040 531 HB3 ARG 67 1HB ARG 67 -13.914 7.483 1.692 532 HG2 ARG 67 2HG ARG 67 -15.358 9.491 1.981 533 HG3 ARG 67 1HG ARG 67 -15.160 9.789 0.258 534 HD2 ARG 67 2HD ARG 67 -16.191 7.672 -0.278 535 HD3 ARG 67 1HD ARG 67 -16.285 7.254 1.433 536 HE ARG 67 HE ARG 67 -17.621 9.687 1.037 537 HH11 ARG 67 1HH1 ARG 67 -18.011 6.272 0.257 538 HH12 ARG 67 2HH1 ARG 67 -19.741 6.382 0.158 539 HH21 ARG 67 1HH2 ARG 67 -19.883 9.783 0.973 540 HH22 ARG 67 2HH2 ARG 67 -20.811 8.358 0.606 541 H LYS 68 H LYS 68 -13.206 7.913 3.634 542 HA LYS 68 HA LYS 68 -13.440 10.328 5.300 543 HB2 LYS 68 2HB LYS 68 -15.395 9.315 6.421 544 HB3 LYS 68 1HB LYS 68 -15.703 9.708 4.737 545 HG2 LYS 68 2HG LYS 68 -15.379 7.354 4.141 546 HG3 LYS 68 1HG LYS 68 -15.088 6.972 5.840 547 HD2 LYS 68 2HD LYS 68 -17.347 7.762 6.390 548 HD3 LYS 68 1HD LYS 68 -17.634 8.116 4.685 549 HE2 LYS 68 2HE LYS 68 -18.636 5.999 5.226 550 HE3 LYS 68 1HE LYS 68 -17.250 5.726 4.171 551 HZ1 LYS 68 3HZ LYS 68 -15.976 5.338 6.338 552 HZ2 LYS 68 1HZ LYS 68 -17.046 4.128 5.824 553 HZ3 LYS 68 2HZ LYS 68 -17.499 5.186 7.068 554 H GLY 69 H GLY 69 -11.538 7.966 4.884 555 HA2 GLY 69 2HA GLY 69 -11.598 6.775 7.558 556 HA3 GLY 69 1HA GLY 69 -10.625 6.220 6.204 557 H HIS 70 H HIS 70 -10.712 9.603 6.933 558 HA HIS 70 HA HIS 70 -7.903 9.520 7.658 559 HB2 HIS 70 2HB HIS 70 -9.811 11.734 6.976 560 HB3 HIS 70 1HB HIS 70 -8.302 12.095 7.808 561 HD1 HIS 70 1HD HIS 70 -6.105 11.776 6.496 562 HD2 HIS 70 2HD HIS 70 -9.541 10.999 4.280 563 HE1 HIS 70 1HE HIS 70 -5.354 11.658 4.096 564 HE2 HIS 70 2HE HIS 70 -7.466 11.322 2.757 565 H SER 71 H SER 71 -7.380 9.107 9.659 566 HA SER 71 HA SER 71 -9.184 9.999 11.812 567 HB2 SER 71 2HB SER 71 -7.267 7.660 11.859 568 HB3 SER 71 1HB SER 71 -8.479 8.064 13.077 569 HG SER 71 HG SER 71 -10.011 7.833 11.190 570 H GLU 72 H GLU 72 -6.018 10.171 10.517 571 HA GLU 72 HA GLU 72 -4.052 11.058 11.202 572 HB2 GLU 72 2HB GLU 72 -5.282 13.083 11.713 573 HB3 GLU 72 1HB GLU 72 -5.807 12.425 13.255 574 HG2 GLU 72 2HG GLU 72 -4.028 14.069 13.519 575 HG3 GLU 72 1HG GLU 72 -3.536 12.476 14.088 576 H GLY 73 H GLY 73 -3.117 9.141 11.739 577 HA2 GLY 73 2HA GLY 73 -1.890 8.064 13.553 578 HA3 GLY 73 1HA GLY 73 -3.305 8.323 14.568 579 H GLY 74 H GLY 74 -4.895 6.811 14.609 580 HA2 GLY 74 2HA GLY 74 -5.946 5.201 12.787 581 HA3 GLY 74 1HA GLY 74 -4.422 4.373 13.083 Start of MODEL 2 1 H1 VAL 1 1HT VAL 1 14.277 -1.830 4.142 2 H2 VAL 1 2HT VAL 1 13.507 -1.896 2.639 3 H3 VAL 1 3HT VAL 1 12.631 -2.211 4.052 4 HA VAL 1 HA VAL 1 13.828 0.382 3.262 5 HB VAL 1 HB VAL 1 11.563 1.212 3.118 6 HG11 VAL 1 2HG1 VAL 1 12.448 0.257 1.080 7 HG12 VAL 1 3HG1 VAL 1 10.715 -0.053 1.193 8 HG13 VAL 1 1HG1 VAL 1 11.866 -1.343 1.548 9 HG21 VAL 1 1HG2 VAL 1 10.699 -1.573 3.887 10 HG22 VAL 1 2HG2 VAL 1 9.616 -0.292 3.339 11 HG23 VAL 1 3HG2 VAL 1 10.512 -0.104 4.847 12 H ASP 2 H ASP 2 13.106 2.154 4.717 13 HA ASP 2 HA ASP 2 13.195 1.381 7.495 14 HB2 ASP 2 2HB ASP 2 14.315 3.437 6.778 15 HB3 ASP 2 1HB ASP 2 12.781 4.093 6.213 16 H MET 3 H MET 3 11.519 1.321 8.919 17 HA MET 3 HA MET 3 8.848 1.579 7.723 18 HB2 MET 3 2HB MET 3 9.650 -0.177 10.040 19 HB3 MET 3 1HB MET 3 8.139 -0.197 9.150 20 HG2 MET 3 2HG MET 3 9.570 -0.779 7.104 21 HG3 MET 3 1HG MET 3 10.836 -1.149 8.273 22 HE1 MET 3 3HE MET 3 6.859 -3.392 7.732 23 HE2 MET 3 1HE MET 3 7.519 -2.176 6.635 24 HE3 MET 3 2HE MET 3 6.918 -1.699 8.224 25 H SER 4 H SER 4 10.691 3.428 9.344 26 HA SER 4 HA SER 4 9.029 3.977 11.667 27 HB2 SER 4 2HB SER 4 11.517 4.073 11.813 28 HB3 SER 4 1HB SER 4 11.507 5.412 10.667 29 HG SER 4 HG SER 4 11.358 5.600 13.245 30 H ASN 5 H ASN 5 9.450 5.001 8.426 31 HA ASN 5 HA ASN 5 7.973 7.501 8.891 32 HB2 ASN 5 2HB ASN 5 8.652 7.991 6.501 33 HB3 ASN 5 1HB ASN 5 9.947 7.939 7.675 34 HD21 ASN 5 1HD2 ASN 5 8.438 5.046 6.485 35 HD22 ASN 5 2HD2 ASN 5 9.792 4.488 5.563 36 H VAL 6 H VAL 6 6.999 4.580 8.506 37 HA VAL 6 HA VAL 6 5.209 5.057 6.230 38 HB VAL 6 HB VAL 6 6.520 2.955 6.310 39 HG11 VAL 6 1HG1 VAL 6 6.525 2.550 8.693 40 HG12 VAL 6 2HG1 VAL 6 5.858 1.163 7.835 41 HG13 VAL 6 3HG1 VAL 6 4.783 2.282 8.674 42 HG21 VAL 6 3HG2 VAL 6 3.545 2.525 6.449 43 HG22 VAL 6 1HG2 VAL 6 4.721 1.479 5.657 44 HG23 VAL 6 2HG2 VAL 6 4.434 3.105 5.039 45 H VAL 7 H VAL 7 3.003 5.284 6.420 46 HA VAL 7 HA VAL 7 1.937 5.565 9.112 47 HB VAL 7 HB VAL 7 -0.199 6.228 8.066 48 HG11 VAL 7 1HG1 VAL 7 1.404 7.954 8.543 49 HG12 VAL 7 2HG1 VAL 7 0.559 8.323 7.037 50 HG13 VAL 7 3HG1 VAL 7 2.202 7.685 6.995 51 HG21 VAL 7 3HG2 VAL 7 -0.527 6.451 5.737 52 HG22 VAL 7 1HG2 VAL 7 0.095 4.820 5.992 53 HG23 VAL 7 2HG2 VAL 7 1.167 6.094 5.391 54 H LYS 8 H LYS 8 1.885 3.300 6.509 55 HA LYS 8 HA LYS 8 0.984 1.223 8.181 56 HB2 LYS 8 2HB LYS 8 -1.201 2.298 7.773 57 HB3 LYS 8 1HB LYS 8 -0.991 2.053 6.048 58 HG2 LYS 8 2HG LYS 8 -2.450 0.363 7.032 59 HG3 LYS 8 1HG LYS 8 -0.973 -0.360 6.385 60 HD2 LYS 8 2HD LYS 8 -0.014 -0.339 8.668 61 HD3 LYS 8 1HD LYS 8 -1.551 0.277 9.276 62 HE2 LYS 8 2HE LYS 8 -2.683 -1.735 8.524 63 HE3 LYS 8 1HE LYS 8 -1.179 -2.344 7.832 64 HZ1 LYS 8 3HZ LYS 8 -1.650 -1.796 10.715 65 HZ2 LYS 8 1HZ LYS 8 -0.216 -2.401 10.043 66 HZ3 LYS 8 2HZ LYS 8 -1.634 -3.332 9.997 67 H THR 9 H THR 9 1.808 -0.548 7.511 68 HA THR 9 HA THR 9 2.679 -0.802 4.728 69 HB THR 9 HB THR 9 3.499 -2.178 7.269 70 HG1 THR 9 1HG THR 9 4.783 -0.506 7.039 71 HG21 THR 9 3HG2 THR 9 4.980 -3.629 5.977 72 HG22 THR 9 1HG2 THR 9 4.307 -2.989 4.478 73 HG23 THR 9 2HG2 THR 9 3.292 -3.932 5.568 74 H TYR 10 H TYR 10 1.981 -2.469 3.462 75 HA TYR 10 HA TYR 10 -0.181 -4.107 4.558 76 HB2 TYR 10 2HB TYR 10 -0.122 -2.496 2.055 77 HB3 TYR 10 1HB TYR 10 -1.049 -4.000 2.091 78 HD1 TYR 10 2HD TYR 10 -2.710 -4.289 4.038 79 HD2 TYR 10 1HD TYR 10 -1.010 -0.574 2.895 80 HE1 TYR 10 2HE TYR 10 -4.575 -3.102 5.127 81 HE2 TYR 10 1HE TYR 10 -2.858 0.624 3.959 82 HH TYR 10 HH TYR 10 -5.192 0.196 4.590 83 H ASP 11 H ASP 11 -0.231 -6.089 4.196 84 HA ASP 11 HA ASP 11 2.014 -7.277 2.752 85 HB2 ASP 11 2HB ASP 11 0.262 -8.174 4.991 86 HB3 ASP 11 1HB ASP 11 0.885 -9.410 3.904 87 H LEU 12 H LEU 12 1.708 -8.032 0.867 88 HA LEU 12 HA LEU 12 -0.965 -8.241 -0.251 89 HB2 LEU 12 2HB LEU 12 1.704 -8.904 -1.519 90 HB3 LEU 12 1HB LEU 12 0.161 -8.850 -2.352 91 HG LEU 12 HG LEU 12 1.749 -6.548 -1.241 92 HD11 LEU 12 1HD1 LEU 12 2.294 -7.344 -3.496 93 HD12 LEU 12 2HD1 LEU 12 1.613 -5.720 -3.513 94 HD13 LEU 12 3HD1 LEU 12 0.617 -7.099 -3.978 95 HD21 LEU 12 3HD2 LEU 12 -0.560 -6.204 -0.563 96 HD22 LEU 12 1HD2 LEU 12 -1.104 -6.496 -2.215 97 HD23 LEU 12 2HD2 LEU 12 -0.112 -5.084 -1.851 98 H GLN 13 H GLN 13 -1.886 -10.226 -0.963 99 HA GLN 13 HA GLN 13 -1.458 -12.276 0.917 100 HB2 GLN 13 2HB GLN 13 -3.483 -11.567 -0.777 101 HB3 GLN 13 1HB GLN 13 -2.916 -13.080 -1.479 102 HG2 GLN 13 2HG GLN 13 -3.167 -14.191 0.640 103 HG3 GLN 13 1HG GLN 13 -3.676 -12.676 1.392 104 HE21 GLN 13 1HE2 GLN 13 -5.725 -11.845 0.908 105 HE22 GLN 13 2HE2 GLN 13 -6.958 -12.818 0.186 106 H ASP 14 H ASP 14 0.317 -11.558 -1.709 107 HA ASP 14 HA ASP 14 1.071 -14.307 -2.363 108 HB2 ASP 14 2HB ASP 14 0.603 -12.765 -4.234 109 HB3 ASP 14 1HB ASP 14 1.887 -11.701 -3.669 110 H GLY 15 H GLY 15 2.034 -11.615 -0.531 111 HA2 GLY 15 2HA GLY 15 3.715 -12.275 1.206 112 HA3 GLY 15 1HA GLY 15 4.724 -12.782 -0.134 113 H SER 16 H SER 16 3.855 -10.420 -1.730 114 HA SER 16 HA SER 16 6.044 -8.784 -1.040 115 HB2 SER 16 2HB SER 16 3.752 -8.061 -2.866 116 HB3 SER 16 1HB SER 16 5.388 -7.411 -2.897 117 HG SER 16 HG SER 16 4.515 -9.463 -4.256 118 H LYS 17 H LYS 17 5.956 -6.480 -0.520 119 HA LYS 17 HA LYS 17 3.765 -5.929 1.371 120 HB2 LYS 17 2HB LYS 17 6.669 -5.216 1.789 121 HB3 LYS 17 1HB LYS 17 5.360 -5.108 2.961 122 HG2 LYS 17 2HG LYS 17 5.145 -7.584 2.847 123 HG3 LYS 17 1HG LYS 17 6.584 -7.605 1.819 124 HD2 LYS 17 2HD LYS 17 7.871 -6.549 3.614 125 HD3 LYS 17 1HD LYS 17 6.432 -6.551 4.641 126 HE2 LYS 17 2HE LYS 17 7.832 -8.971 3.509 127 HE3 LYS 17 1HE LYS 17 7.861 -8.438 5.191 128 HZ1 LYS 17 3HZ LYS 17 6.269 -10.271 4.693 129 HZ2 LYS 17 1HZ LYS 17 5.367 -9.183 3.759 130 HZ3 LYS 17 2HZ LYS 17 5.560 -8.914 5.419 131 H VAL 18 H VAL 18 2.827 -4.011 1.177 132 HA VAL 18 HA VAL 18 4.145 -1.955 -0.491 133 HB VAL 18 HB VAL 18 1.211 -2.404 0.151 134 HG11 VAL 18 1HG1 VAL 18 1.663 -0.023 -0.044 135 HG12 VAL 18 2HG1 VAL 18 0.776 -0.583 -1.464 136 HG13 VAL 18 3HG1 VAL 18 2.511 -0.283 -1.570 137 HG21 VAL 18 3HG2 VAL 18 2.093 -4.015 -1.448 138 HG22 VAL 18 1HG2 VAL 18 2.734 -2.705 -2.441 139 HG23 VAL 18 2HG2 VAL 18 0.992 -2.892 -2.245 140 H HIS 19 H HIS 19 4.320 0.131 0.355 141 HA HIS 19 HA HIS 19 3.299 0.483 3.093 142 HB2 HIS 19 2HB HIS 19 5.894 1.708 2.219 143 HB3 HIS 19 1HB HIS 19 5.279 1.482 3.844 144 HD1 HIS 19 1HD HIS 19 4.723 -1.604 3.654 145 HD2 HIS 19 2HD HIS 19 8.169 0.342 2.450 146 HE1 HIS 19 1HE HIS 19 6.514 -3.371 3.636 147 HE2 HIS 19 2HE HIS 19 8.565 -2.217 2.740 148 H VAL 20 H VAL 20 2.111 2.238 3.346 149 HA VAL 20 HA VAL 20 2.416 4.406 1.387 150 HB VAL 20 HB VAL 20 0.363 4.229 3.606 151 HG11 VAL 20 1HG1 VAL 20 0.457 5.957 1.121 152 HG12 VAL 20 2HG1 VAL 20 0.866 6.497 2.748 153 HG13 VAL 20 3HG1 VAL 20 -0.782 5.991 2.378 154 HG21 VAL 20 3HG2 VAL 20 0.042 3.514 0.689 155 HG22 VAL 20 1HG2 VAL 20 -1.244 3.546 1.897 156 HG23 VAL 20 2HG2 VAL 20 0.065 2.371 2.033 157 H PHE 21 H PHE 21 3.776 5.948 1.912 158 HA PHE 21 HA PHE 21 4.934 5.849 4.569 159 HB2 PHE 21 2HB PHE 21 5.751 7.264 2.036 160 HB3 PHE 21 1HB PHE 21 6.609 7.449 3.561 161 HD1 PHE 21 2HD PHE 21 7.919 5.639 4.489 162 HD2 PHE 21 1HD PHE 21 5.871 5.158 0.770 163 HE1 PHE 21 2HE PHE 21 9.255 3.637 4.006 164 HE2 PHE 21 1HE PHE 21 7.217 3.161 0.301 165 HZ PHE 21 HZ PHE 21 8.906 2.396 1.912 166 H LYS 22 H LYS 22 5.269 7.720 5.842 167 HA LYS 22 HA LYS 22 2.881 9.123 6.280 168 HB2 LYS 22 2HB LYS 22 5.683 9.669 7.288 169 HB3 LYS 22 1HB LYS 22 4.224 10.403 7.948 170 HG2 LYS 22 2HG LYS 22 3.420 8.176 8.581 171 HG3 LYS 22 1HG LYS 22 4.906 7.471 7.942 172 HD2 LYS 22 2HD LYS 22 6.168 8.929 9.547 173 HD3 LYS 22 1HD LYS 22 4.615 9.356 10.274 174 HE2 LYS 22 2HE LYS 22 4.217 6.889 10.590 175 HE3 LYS 22 1HE LYS 22 5.895 6.641 10.097 176 HZ1 LYS 22 3HZ LYS 22 6.575 8.079 11.958 177 HZ2 LYS 22 1HZ LYS 22 5.748 6.689 12.477 178 HZ3 LYS 22 2HZ LYS 22 4.955 8.186 12.457 179 H ASP 23 H ASP 23 5.375 9.744 4.090 180 HA ASP 23 HA ASP 23 5.024 12.616 4.051 181 HB2 ASP 23 2HB ASP 23 7.296 11.530 3.826 182 HB3 ASP 23 1HB ASP 23 6.770 10.911 2.265 183 H GLY 24 H GLY 24 3.552 9.925 2.832 184 HA2 GLY 24 2HA GLY 24 1.589 10.178 1.590 185 HA3 GLY 24 1HA GLY 24 2.295 11.564 0.807 186 H LYS 25 H LYS 25 4.795 9.530 0.474 187 HA LYS 25 HA LYS 25 3.778 8.506 -2.039 188 HB2 LYS 25 2HB LYS 25 6.556 8.606 -0.867 189 HB3 LYS 25 1HB LYS 25 6.177 7.821 -2.394 190 HG2 LYS 25 2HG LYS 25 6.671 9.795 -3.290 191 HG3 LYS 25 1HG LYS 25 5.061 10.267 -2.765 192 HD2 LYS 25 2HD LYS 25 6.661 11.948 -2.095 193 HD3 LYS 25 1HD LYS 25 6.037 11.121 -0.664 194 HE2 LYS 25 2HE LYS 25 8.031 9.808 -0.474 195 HE3 LYS 25 1HE LYS 25 8.623 10.394 -2.031 196 HZ1 LYS 25 3HZ LYS 25 8.146 12.137 0.326 197 HZ2 LYS 25 1HZ LYS 25 8.899 12.569 -1.128 198 HZ3 LYS 25 2HZ LYS 25 9.654 11.481 -0.072 199 H MET 26 H MET 26 4.957 6.243 -2.537 200 HA MET 26 HA MET 26 4.362 4.418 -0.347 201 HB2 MET 26 2HB MET 26 3.108 4.296 -3.095 202 HB3 MET 26 1HB MET 26 3.070 2.974 -1.943 203 HG2 MET 26 2HG MET 26 0.997 4.007 -1.737 204 HG3 MET 26 1HG MET 26 1.925 4.585 -0.357 205 HE1 MET 26 3HE MET 26 2.661 5.866 -3.946 206 HE2 MET 26 1HE MET 26 1.487 7.169 -4.146 207 HE3 MET 26 2HE MET 26 0.942 5.494 -4.080 208 H GLY 27 H GLY 27 5.392 2.459 -0.472 209 HA2 GLY 27 2HA GLY 27 7.226 2.059 -2.736 210 HA3 GLY 27 1HA GLY 27 7.839 2.006 -1.089 211 H MET 28 H MET 28 7.720 -0.086 -3.187 212 HA MET 28 HA MET 28 6.065 -2.038 -1.742 213 HB2 MET 28 2HB MET 28 5.107 -1.582 -3.928 214 HB3 MET 28 1HB MET 28 6.658 -1.869 -4.702 215 HG2 MET 28 2HG MET 28 6.569 -4.208 -4.063 216 HG3 MET 28 1HG MET 28 5.044 -3.937 -3.223 217 HE1 MET 28 3HE MET 28 5.649 -6.154 -5.544 218 HE2 MET 28 1HE MET 28 4.119 -6.085 -6.417 219 HE3 MET 28 2HE MET 28 4.130 -6.045 -4.654 220 H GLU 29 H GLU 29 6.932 -3.962 -1.253 221 HA GLU 29 HA GLU 29 9.638 -4.597 -2.229 222 HB2 GLU 29 2HB GLU 29 8.520 -4.813 0.568 223 HB3 GLU 29 1HB GLU 29 9.857 -5.828 0.038 224 HG2 GLU 29 2HG GLU 29 11.251 -3.969 -0.325 225 HG3 GLU 29 1HG GLU 29 9.912 -2.836 -0.145 226 H ASN 30 H ASN 30 9.971 -6.863 -2.589 227 HA ASN 30 HA ASN 30 7.474 -8.248 -3.105 228 HB2 ASN 30 2HB ASN 30 8.744 -9.837 -4.359 229 HB3 ASN 30 1HB ASN 30 9.379 -8.245 -4.754 230 HD21 ASN 30 1HD2 ASN 30 10.671 -10.760 -5.083 231 HD22 ASN 30 2HD2 ASN 30 12.109 -10.726 -4.115 232 H LYS 31 H LYS 31 7.227 -10.522 -2.470 233 HA LYS 31 HA LYS 31 7.293 -11.154 0.152 234 HB2 LYS 31 2HB LYS 31 7.235 -13.562 -0.634 235 HB3 LYS 31 1HB LYS 31 6.023 -12.472 -1.293 236 HG2 LYS 31 2HG LYS 31 7.625 -12.179 -3.264 237 HG3 LYS 31 1HG LYS 31 8.440 -13.615 -2.640 238 HD2 LYS 31 2HD LYS 31 6.495 -14.941 -2.902 239 HD3 LYS 31 1HD LYS 31 5.487 -13.523 -3.201 240 HE2 LYS 31 2HE LYS 31 6.909 -13.110 -5.249 241 HE3 LYS 31 1HE LYS 31 7.590 -14.716 -4.988 242 HZ1 LYS 31 3HZ LYS 31 4.698 -14.147 -5.327 243 HZ2 LYS 31 1HZ LYS 31 5.423 -15.677 -5.220 244 HZ3 LYS 31 2HZ LYS 31 5.719 -14.692 -6.569 245 H PHE 32 H PHE 32 10.150 -10.591 -1.353 246 HA PHE 32 HA PHE 32 11.580 -12.501 0.363 247 HB2 PHE 32 2HB PHE 32 12.447 -11.392 -2.313 248 HB3 PHE 32 1HB PHE 32 13.468 -12.363 -1.257 249 HD1 PHE 32 1HD PHE 32 12.815 -14.719 -0.769 250 HD2 PHE 32 2HD PHE 32 10.875 -12.390 -3.751 251 HE1 PHE 32 1HE PHE 32 11.939 -16.773 -1.798 252 HE2 PHE 32 2HE PHE 32 9.990 -14.438 -4.786 253 HZ PHE 32 HZ PHE 32 10.492 -16.627 -3.803 254 H GLY 33 H GLY 33 10.704 -9.354 0.136 255 HA2 GLY 33 2HA GLY 33 11.374 -7.696 1.614 256 HA3 GLY 33 1HA GLY 33 12.804 -8.640 1.986 257 H LYS 34 H LYS 34 12.128 -8.113 -1.331 258 HA LYS 34 HA LYS 34 14.382 -6.247 -1.430 259 HB2 LYS 34 2HB LYS 34 13.129 -7.940 -3.580 260 HB3 LYS 34 1HB LYS 34 14.416 -6.778 -3.871 261 HG2 LYS 34 2HG LYS 34 14.692 -8.963 -1.863 262 HG3 LYS 34 1HG LYS 34 15.074 -9.219 -3.563 263 HD2 LYS 34 2HD LYS 34 16.305 -7.114 -1.777 264 HD3 LYS 34 1HD LYS 34 17.057 -8.652 -2.201 265 HE2 LYS 34 2HE LYS 34 16.221 -6.567 -4.209 266 HE3 LYS 34 1HE LYS 34 17.848 -6.698 -3.542 267 HZ1 LYS 34 3HZ LYS 34 17.568 -7.800 -5.722 268 HZ2 LYS 34 1HZ LYS 34 16.467 -8.878 -5.021 269 HZ3 LYS 34 2HZ LYS 34 18.081 -8.865 -4.508 270 H SER 35 H SER 35 14.259 -4.336 -2.148 271 HA SER 35 HA SER 35 11.669 -3.106 -2.130 272 HB2 SER 35 2HB SER 35 13.149 -1.002 -2.398 273 HB3 SER 35 1HB SER 35 13.263 -1.936 -0.908 274 HG SER 35 HG SER 35 14.997 -2.303 -3.134 275 H MET 36 H MET 36 10.545 -2.285 -3.748 276 HA MET 36 HA MET 36 11.769 -1.806 -6.350 277 HB2 MET 36 2HB MET 36 9.913 -3.105 -7.464 278 HB3 MET 36 1HB MET 36 11.101 -4.089 -6.622 279 HG2 MET 36 2HG MET 36 9.563 -4.270 -4.708 280 HG3 MET 36 1HG MET 36 8.366 -3.342 -5.610 281 HE1 MET 36 3HE MET 36 7.310 -5.702 -8.464 282 HE2 MET 36 1HE MET 36 8.416 -4.327 -8.497 283 HE3 MET 36 2HE MET 36 6.929 -4.239 -7.552 284 H ASN 37 H ASN 37 9.642 -1.189 -7.842 285 HA ASN 37 HA ASN 37 8.254 0.877 -6.282 286 HB2 ASN 37 2HB ASN 37 7.800 1.988 -8.438 287 HB3 ASN 37 1HB ASN 37 9.522 1.775 -8.162 288 HD21 ASN 37 1HD2 ASN 37 10.688 0.385 -9.455 289 HD22 ASN 37 2HD2 ASN 37 10.044 -0.273 -10.920 290 H MET 38 H MET 38 6.015 1.204 -6.578 291 HA MET 38 HA MET 38 4.610 -1.305 -6.944 292 HB2 MET 38 2HB MET 38 4.154 0.153 -4.992 293 HB3 MET 38 1HB MET 38 3.571 1.403 -6.083 294 HG2 MET 38 2HG MET 38 1.768 -0.049 -6.810 295 HG3 MET 38 1HG MET 38 2.365 -1.334 -5.762 296 HE1 MET 38 3HE MET 38 -0.032 -1.582 -4.670 297 HE2 MET 38 1HE MET 38 -0.653 -0.294 -5.706 298 HE3 MET 38 2HE MET 38 -0.933 -0.238 -3.966 299 HA PRO 39 HA PRO 39 3.390 -0.387 -11.099 300 HB2 PRO 39 2HB PRO 39 1.342 -2.194 -11.265 301 HB3 PRO 39 1HB PRO 39 3.047 -2.618 -11.433 302 HG2 PRO 39 2HG PRO 39 1.251 -2.882 -9.062 303 HG3 PRO 39 1HG PRO 39 2.487 -4.000 -9.663 304 HD2 PRO 39 2HD PRO 39 2.919 -2.365 -7.558 305 HD3 PRO 39 1HD PRO 39 4.208 -2.826 -8.689 306 H GLU 40 H GLU 40 2.302 1.377 -11.630 307 HA GLU 40 HA GLU 40 -0.042 2.211 -10.166 308 HB2 GLU 40 2HB GLU 40 1.602 3.878 -10.918 309 HB3 GLU 40 1HB GLU 40 1.295 3.434 -12.594 310 HG2 GLU 40 2HG GLU 40 -1.035 4.179 -12.339 311 HG3 GLU 40 1HG GLU 40 -0.680 4.666 -10.683 312 H GLY 41 H GLY 41 -2.091 1.874 -10.710 313 HA2 GLY 41 2HA GLY 41 -3.862 1.704 -12.328 314 HA3 GLY 41 1HA GLY 41 -2.703 1.031 -13.466 315 H LYS 42 H LYS 42 -1.819 -0.532 -10.856 316 HA LYS 42 HA LYS 42 -3.616 -2.783 -11.378 317 HB2 LYS 42 2HB LYS 42 -0.836 -2.550 -10.280 318 HB3 LYS 42 1HB LYS 42 -1.783 -4.006 -10.020 319 HG2 LYS 42 2HG LYS 42 -1.200 -2.856 -12.739 320 HG3 LYS 42 1HG LYS 42 -0.219 -4.102 -11.960 321 HD2 LYS 42 2HD LYS 42 -2.214 -5.544 -11.819 322 HD3 LYS 42 1HD LYS 42 -3.151 -4.306 -12.656 323 HE2 LYS 42 2HE LYS 42 -2.432 -6.071 -14.185 324 HE3 LYS 42 1HE LYS 42 -1.720 -4.517 -14.608 325 HZ1 LYS 42 3HZ LYS 42 -0.144 -6.394 -14.712 326 HZ2 LYS 42 1HZ LYS 42 -0.325 -6.622 -13.043 327 HZ3 LYS 42 2HZ LYS 42 0.349 -5.182 -13.636 328 H VAL 43 H VAL 43 -5.178 -3.223 -9.980 329 HA VAL 43 HA VAL 43 -4.834 -2.441 -7.185 330 HB VAL 43 HB VAL 43 -7.024 -1.943 -8.218 331 HG11 VAL 43 1HG1 VAL 43 -8.596 -3.732 -8.747 332 HG12 VAL 43 2HG1 VAL 43 -7.342 -4.930 -8.432 333 HG13 VAL 43 3HG1 VAL 43 -7.166 -3.803 -9.778 334 HG21 VAL 43 3HG2 VAL 43 -7.150 -4.008 -6.019 335 HG22 VAL 43 1HG2 VAL 43 -8.439 -2.880 -6.438 336 HG23 VAL 43 2HG2 VAL 43 -6.907 -2.274 -5.812 337 H MET 44 H MET 44 -4.332 -3.862 -5.630 338 HA MET 44 HA MET 44 -4.145 -6.692 -6.426 339 HB2 MET 44 2HB MET 44 -2.091 -5.045 -4.948 340 HB3 MET 44 1HB MET 44 -2.050 -6.802 -5.035 341 HG2 MET 44 2HG MET 44 -1.854 -6.697 -7.455 342 HG3 MET 44 1HG MET 44 -1.950 -4.941 -7.401 343 HE1 MET 44 3HE MET 44 -0.172 -4.210 -4.878 344 HE2 MET 44 1HE MET 44 -0.079 -3.381 -6.431 345 HE3 MET 44 2HE MET 44 1.392 -3.962 -5.654 346 H GLU 45 H GLU 45 -4.042 -8.196 -4.604 347 HA GLU 45 HA GLU 45 -5.888 -7.323 -2.525 348 HB2 GLU 45 2HB GLU 45 -5.104 -9.955 -3.669 349 HB3 GLU 45 1HB GLU 45 -5.639 -9.918 -1.995 350 HG2 GLU 45 2HG GLU 45 -7.722 -8.857 -2.688 351 HG3 GLU 45 1HG GLU 45 -7.190 -8.931 -4.373 352 H THR 46 H THR 46 -5.530 -7.478 -0.435 353 HA THR 46 HA THR 46 -2.754 -7.891 0.445 354 HB THR 46 HB THR 46 -3.396 -6.672 2.494 355 HG1 THR 46 1HG THR 46 -5.808 -5.990 1.152 356 HG21 THR 46 3HG2 THR 46 -3.580 -4.447 1.493 357 HG22 THR 46 1HG2 THR 46 -4.032 -5.172 -0.048 358 HG23 THR 46 2HG2 THR 46 -2.419 -5.441 0.613 359 H ARG 47 H ARG 47 -2.434 -9.053 2.471 360 HA ARG 47 HA ARG 47 -3.950 -11.421 2.750 361 HB2 ARG 47 2HB ARG 47 -2.078 -10.051 4.677 362 HB3 ARG 47 1HB ARG 47 -2.700 -11.669 4.905 363 HG2 ARG 47 2HG ARG 47 -1.559 -12.397 2.882 364 HG3 ARG 47 1HG ARG 47 -0.940 -10.760 2.640 365 HD2 ARG 47 2HD ARG 47 0.264 -10.874 4.738 366 HD3 ARG 47 1HD ARG 47 -0.423 -12.462 5.074 367 HE ARG 47 HE ARG 47 0.848 -12.834 2.715 368 HH11 ARG 47 1HH1 ARG 47 1.852 -11.460 5.773 369 HH12 ARG 47 2HH1 ARG 47 3.494 -12.008 5.627 370 HH21 ARG 47 1HH2 ARG 47 3.006 -13.555 2.517 371 HH22 ARG 47 2HH2 ARG 47 4.152 -13.190 3.763 372 H ASP 48 H ASP 48 -4.463 -8.239 3.763 373 HA ASP 48 HA ASP 48 -5.992 -8.776 6.142 374 HB2 ASP 48 2HB ASP 48 -4.722 -6.704 5.956 375 HB3 ASP 48 1HB ASP 48 -5.596 -6.267 4.493 376 H GLY 49 H GLY 49 -6.539 -8.565 2.767 377 HA2 GLY 49 2HA GLY 49 -8.539 -9.382 1.748 378 HA3 GLY 49 1HA GLY 49 -9.421 -8.954 3.208 379 H THR 50 H THR 50 -7.276 -6.544 2.391 380 HA THR 50 HA THR 50 -9.473 -4.902 1.379 381 HB THR 50 HB THR 50 -6.798 -4.123 2.587 382 HG1 THR 50 1HG THR 50 -8.007 -4.639 4.306 383 HG21 THR 50 3HG2 THR 50 -9.108 -2.361 1.762 384 HG22 THR 50 1HG2 THR 50 -7.545 -2.454 0.953 385 HG23 THR 50 2HG2 THR 50 -7.649 -1.831 2.601 386 H LYS 51 H LYS 51 -8.951 -3.424 -0.415 387 HA LYS 51 HA LYS 51 -7.018 -4.650 -2.258 388 HB2 LYS 51 2HB LYS 51 -9.455 -3.087 -3.100 389 HB3 LYS 51 1HB LYS 51 -8.447 -4.139 -4.082 390 HG2 LYS 51 2HG LYS 51 -10.290 -5.026 -1.872 391 HG3 LYS 51 1HG LYS 51 -10.595 -5.172 -3.603 392 HD2 LYS 51 2HD LYS 51 -8.629 -6.636 -3.799 393 HD3 LYS 51 1HD LYS 51 -8.376 -6.510 -2.057 394 HE2 LYS 51 2HE LYS 51 -10.757 -7.718 -3.466 395 HE3 LYS 51 1HE LYS 51 -9.524 -8.579 -2.548 396 HZ1 LYS 51 3HZ LYS 51 -11.401 -8.372 -1.153 397 HZ2 LYS 51 1HZ LYS 51 -11.595 -6.724 -1.509 398 HZ3 LYS 51 2HZ LYS 51 -10.280 -7.241 -0.577 399 H ILE 52 H ILE 52 -5.575 -3.317 -3.239 400 HA ILE 52 HA ILE 52 -5.808 -0.430 -2.774 401 HB ILE 52 HB ILE 52 -3.424 -0.283 -2.172 402 HG12 ILE 52 2HG1 ILE 52 -3.524 -3.313 -2.085 403 HG13 ILE 52 1HG1 ILE 52 -2.698 -2.361 -3.314 404 HG21 ILE 52 1HG2 ILE 52 -4.994 -2.142 -0.384 405 HG22 ILE 52 2HG2 ILE 52 -5.073 -0.383 -0.385 406 HG23 ILE 52 3HG2 ILE 52 -3.589 -1.195 0.099 407 HD11 ILE 52 3HD1 ILE 52 -1.229 -1.440 -1.570 408 HD12 ILE 52 1HD1 ILE 52 -1.116 -3.194 -1.712 409 HD13 ILE 52 2HD1 ILE 52 -2.027 -2.478 -0.384 410 H ILE 53 H ILE 53 -4.585 0.861 -4.215 411 HA ILE 53 HA ILE 53 -3.105 -0.377 -6.338 412 HB ILE 53 HB ILE 53 -5.006 -0.656 -7.605 413 HG12 ILE 53 2HG1 ILE 53 -4.034 2.145 -8.190 414 HG13 ILE 53 1HG1 ILE 53 -3.523 0.647 -8.954 415 HG21 ILE 53 1HG2 ILE 53 -6.589 0.308 -6.018 416 HG22 ILE 53 2HG2 ILE 53 -6.934 0.835 -7.668 417 HG23 ILE 53 3HG2 ILE 53 -6.135 1.930 -6.543 418 HD11 ILE 53 3HD1 ILE 53 -5.701 0.433 -10.012 419 HD12 ILE 53 1HD1 ILE 53 -4.943 1.977 -10.409 420 HD13 ILE 53 2HD1 ILE 53 -6.240 1.912 -9.215 421 H MET 54 H MET 54 -1.796 1.054 -7.450 422 HA MET 54 HA MET 54 -1.393 3.637 -6.086 423 HB2 MET 54 2HB MET 54 0.430 1.768 -6.551 424 HB3 MET 54 1HB MET 54 0.441 2.456 -8.165 425 HG2 MET 54 2HG MET 54 0.885 4.116 -5.710 426 HG3 MET 54 1HG MET 54 2.194 3.265 -6.524 427 HE1 MET 54 3HE MET 54 3.650 5.224 -7.017 428 HE2 MET 54 1HE MET 54 2.580 6.282 -6.096 429 HE3 MET 54 2HE MET 54 3.119 6.760 -7.706 430 H LYS 55 H LYS 55 -2.059 5.436 -7.113 431 HA LYS 55 HA LYS 55 -2.484 5.355 -9.999 432 HB2 LYS 55 2HB LYS 55 -4.575 4.518 -8.927 433 HB3 LYS 55 1HB LYS 55 -4.713 6.050 -8.076 434 HG2 LYS 55 2HG LYS 55 -6.164 6.057 -9.991 435 HG3 LYS 55 1HG LYS 55 -4.851 7.208 -10.252 436 HD2 LYS 55 2HD LYS 55 -3.669 5.497 -11.586 437 HD3 LYS 55 1HD LYS 55 -5.047 4.418 -11.380 438 HE2 LYS 55 2HE LYS 55 -5.106 7.119 -12.717 439 HE3 LYS 55 1HE LYS 55 -5.101 5.561 -13.543 440 HZ1 LYS 55 3HZ LYS 55 -7.330 6.462 -13.392 441 HZ2 LYS 55 1HZ LYS 55 -7.222 6.542 -11.705 442 HZ3 LYS 55 2HZ LYS 55 -7.212 5.037 -12.480 443 H GLY 56 H GLY 56 -1.720 7.149 -10.831 444 HA2 GLY 56 2HA GLY 56 -1.080 9.333 -11.090 445 HA3 GLY 56 1HA GLY 56 -2.473 9.730 -10.095 446 H ASN 57 H ASN 57 0.486 7.956 -9.287 447 HA ASN 57 HA ASN 57 2.151 8.319 -7.787 448 HB2 ASN 57 2HB ASN 57 1.269 11.191 -8.073 449 HB3 ASN 57 1HB ASN 57 2.605 10.709 -7.035 450 HD21 ASN 57 1HD2 ASN 57 1.803 9.272 -10.132 451 HD22 ASN 57 2HD2 ASN 57 3.220 9.810 -10.964 452 H GLU 58 H GLU 58 -0.873 8.182 -7.088 453 HA GLU 58 HA GLU 58 -0.520 8.623 -4.182 454 HB2 GLU 58 2HB GLU 58 -3.058 8.699 -5.820 455 HB3 GLU 58 1HB GLU 58 -2.997 8.792 -4.068 456 HG2 GLU 58 2HG GLU 58 -1.696 10.881 -4.251 457 HG3 GLU 58 1HG GLU 58 -1.863 10.801 -6.004 458 H ILE 59 H ILE 59 -2.540 7.218 -3.169 459 HA ILE 59 HA ILE 59 -2.526 4.623 -4.458 460 HB ILE 59 HB ILE 59 -0.718 4.907 -2.507 461 HG12 ILE 59 2HG1 ILE 59 -2.463 2.490 -2.991 462 HG13 ILE 59 1HG1 ILE 59 -1.034 2.953 -3.910 463 HG21 ILE 59 1HG2 ILE 59 -1.527 4.004 -0.402 464 HG22 ILE 59 2HG2 ILE 59 -3.173 3.959 -1.031 465 HG23 ILE 59 3HG2 ILE 59 -2.365 5.510 -0.783 466 HD11 ILE 59 3HD1 ILE 59 -1.101 2.092 -1.028 467 HD12 ILE 59 1HD1 ILE 59 0.339 2.609 -1.908 468 HD13 ILE 59 2HD1 ILE 59 -0.519 1.150 -2.400 469 H PHE 60 H PHE 60 -4.440 3.839 -4.547 470 HA PHE 60 HA PHE 60 -6.596 4.805 -2.869 471 HB2 PHE 60 2HB PHE 60 -7.529 4.390 -4.898 472 HB3 PHE 60 1HB PHE 60 -6.263 3.278 -5.363 473 HD1 PHE 60 1HD PHE 60 -6.468 0.934 -3.942 474 HD2 PHE 60 2HD PHE 60 -9.653 3.556 -4.964 475 HE1 PHE 60 1HE PHE 60 -8.013 -0.953 -3.895 476 HE2 PHE 60 2HE PHE 60 -11.225 1.658 -4.892 477 HZ PHE 60 HZ PHE 60 -10.391 -0.610 -4.360 478 H ARG 61 H ARG 61 -6.818 3.994 -0.881 479 HA ARG 61 HA ARG 61 -6.342 1.104 -0.597 480 HB2 ARG 61 2HB ARG 61 -5.221 2.648 1.123 481 HB3 ARG 61 1HB ARG 61 -6.846 3.051 1.667 482 HG2 ARG 61 2HG ARG 61 -7.234 0.635 2.106 483 HG3 ARG 61 1HG ARG 61 -5.535 0.346 1.733 484 HD2 ARG 61 2HD ARG 61 -5.591 0.516 4.058 485 HD3 ARG 61 1HD ARG 61 -5.033 2.097 3.521 486 HE ARG 61 HE ARG 61 -7.722 2.413 3.746 487 HH11 ARG 61 1HH1 ARG 61 -5.272 1.163 5.886 488 HH12 ARG 61 2HH1 ARG 61 -6.048 1.731 7.339 489 HH21 ARG 61 1HH2 ARG 61 -8.798 3.123 5.667 490 HH22 ARG 61 2HH2 ARG 61 -8.069 2.815 7.212 491 H LEU 62 H LEU 62 -8.122 0.295 -1.303 492 HA LEU 62 HA LEU 62 -10.363 0.036 -1.897 493 HB2 LEU 62 2HB LEU 62 -10.993 -0.808 0.040 494 HB3 LEU 62 1HB LEU 62 -9.913 0.291 0.886 495 HG LEU 62 HG LEU 62 -11.823 1.999 0.664 496 HD11 LEU 62 1HD1 LEU 62 -14.053 0.976 0.721 497 HD12 LEU 62 2HD1 LEU 62 -13.344 -0.593 0.335 498 HD13 LEU 62 3HD1 LEU 62 -13.264 0.726 -0.835 499 HD21 LEU 62 3HD2 LEU 62 -12.661 1.157 2.781 500 HD22 LEU 62 1HD2 LEU 62 -10.904 1.039 2.651 501 HD23 LEU 62 2HD2 LEU 62 -11.900 -0.402 2.443 502 H ASP 63 H ASP 63 -9.297 3.168 -1.177 503 HA ASP 63 HA ASP 63 -9.983 5.276 -1.467 504 HB2 ASP 63 2HB ASP 63 -10.595 4.762 -3.705 505 HB3 ASP 63 1HB ASP 63 -12.069 3.965 -3.195 506 H GLU 64 H GLU 64 -11.368 6.811 -0.619 507 HA GLU 64 HA GLU 64 -12.793 7.748 0.877 508 HB2 GLU 64 2HB GLU 64 -14.582 6.271 0.040 509 HB3 GLU 64 1HB GLU 64 -14.044 5.003 1.132 510 HG2 GLU 64 2HG GLU 64 -15.982 6.099 2.039 511 HG3 GLU 64 1HG GLU 64 -14.577 6.442 3.045 512 H ALA 65 H ALA 65 -11.634 4.537 1.782 513 HA ALA 65 HA ALA 65 -11.469 4.672 4.511 514 HB1 ALA 65 1HB ALA 65 -10.685 2.925 2.669 515 HB2 ALA 65 2HB ALA 65 -10.160 2.838 4.357 516 HB3 ALA 65 3HB ALA 65 -9.105 3.566 3.139 517 H LEU 66 H LEU 66 -8.938 5.579 2.269 518 HA LEU 66 HA LEU 66 -7.383 6.812 4.385 519 HB2 LEU 66 2HB LEU 66 -5.524 6.728 2.868 520 HB3 LEU 66 1HB LEU 66 -6.288 5.163 2.953 521 HG LEU 66 HG LEU 66 -5.607 5.515 0.709 522 HD11 LEU 66 1HD1 LEU 66 -7.589 5.273 -0.565 523 HD12 LEU 66 2HD1 LEU 66 -8.555 6.099 0.650 524 HD13 LEU 66 3HD1 LEU 66 -7.876 4.498 0.997 525 HD21 LEU 66 3HD2 LEU 66 -5.254 7.838 0.619 526 HD22 LEU 66 1HD2 LEU 66 -6.956 8.177 0.938 527 HD23 LEU 66 2HD2 LEU 66 -6.470 7.477 -0.610 528 H ARG 67 H ARG 67 -9.672 7.727 2.297 529 HA ARG 67 HA ARG 67 -8.413 10.215 1.455 530 HB2 ARG 67 2HB ARG 67 -9.423 8.477 -0.155 531 HB3 ARG 67 1HB ARG 67 -10.981 8.992 0.450 532 HG2 ARG 67 2HG ARG 67 -10.848 11.036 -0.586 533 HG3 ARG 67 1HG ARG 67 -9.084 10.995 -0.688 534 HD2 ARG 67 2HD ARG 67 -9.142 9.392 -2.423 535 HD3 ARG 67 1HD ARG 67 -10.849 9.052 -2.154 536 HE ARG 67 HE ARG 67 -10.037 11.719 -3.083 537 HH11 ARG 67 1HH1 ARG 67 -11.569 8.617 -3.688 538 HH12 ARG 67 2HH1 ARG 67 -12.472 9.186 -5.066 539 HH21 ARG 67 1HH2 ARG 67 -11.204 12.465 -4.915 540 HH22 ARG 67 2HH2 ARG 67 -12.255 11.369 -5.767 541 H LYS 68 H LYS 68 -10.702 11.649 1.020 542 HA LYS 68 HA LYS 68 -11.751 12.023 3.730 543 HB2 LYS 68 2HB LYS 68 -12.190 14.365 3.058 544 HB3 LYS 68 1HB LYS 68 -10.486 13.948 2.974 545 HG2 LYS 68 2HG LYS 68 -10.693 13.653 0.546 546 HG3 LYS 68 1HG LYS 68 -12.389 14.126 0.649 547 HD2 LYS 68 2HD LYS 68 -10.038 15.836 1.456 548 HD3 LYS 68 1HD LYS 68 -10.948 15.993 -0.048 549 HE2 LYS 68 2HE LYS 68 -12.970 16.504 1.228 550 HE3 LYS 68 1HE LYS 68 -12.071 16.327 2.736 551 HZ1 LYS 68 3HZ LYS 68 -10.712 18.198 2.145 552 HZ2 LYS 68 1HZ LYS 68 -12.342 18.652 2.038 553 HZ3 LYS 68 2HZ LYS 68 -11.456 18.329 0.628 554 H GLY 69 H GLY 69 -13.988 13.096 3.703 555 HA2 GLY 69 2HA GLY 69 -15.808 11.253 2.676 556 HA3 GLY 69 1HA GLY 69 -16.221 12.855 3.271 557 H HIS 70 H HIS 70 -16.521 10.903 0.705 558 HA HIS 70 HA HIS 70 -15.953 12.653 -1.463 559 HB2 HIS 70 2HB HIS 70 -17.905 10.337 -1.379 560 HB3 HIS 70 1HB HIS 70 -17.271 11.105 -2.828 561 HD1 HIS 70 1HD HIS 70 -16.973 8.056 -2.056 562 HD2 HIS 70 2HD HIS 70 -14.043 10.973 -1.604 563 HE1 HIS 70 1HE HIS 70 -14.793 6.826 -2.046 564 HE2 HIS 70 2HE HIS 70 -13.040 8.623 -2.017 565 H SER 71 H SER 71 -17.091 14.307 -2.245 566 HA SER 71 HA SER 71 -19.209 15.451 -0.826 567 HB2 SER 71 2HB SER 71 -18.379 15.936 -3.697 568 HB3 SER 71 1HB SER 71 -19.376 17.014 -2.717 569 HG SER 71 HG SER 71 -17.454 16.866 -1.198 570 H GLU 72 H GLU 72 -21.291 15.027 -0.756 571 HA GLU 72 HA GLU 72 -22.441 12.938 -2.303 572 HB2 GLU 72 2HB GLU 72 -24.519 13.525 -1.055 573 HB3 GLU 72 1HB GLU 72 -23.124 13.237 -0.025 574 HG2 GLU 72 2HG GLU 72 -22.795 15.697 0.114 575 HG3 GLU 72 1HG GLU 72 -24.308 15.898 -0.770 576 H GLY 73 H GLY 73 -22.435 16.420 -2.550 577 HA2 GLY 73 2HA GLY 73 -23.950 16.146 -5.059 578 HA3 GLY 73 1HA GLY 73 -24.445 17.354 -3.879 579 H GLY 74 H GLY 74 -22.763 18.925 -3.229 580 HA2 GLY 74 2HA GLY 74 -20.464 19.322 -4.841 581 HA3 GLY 74 1HA GLY 74 -21.789 20.352 -5.372 Start of MODEL 3 1 H1 VAL 1 1HT VAL 1 13.223 -1.712 5.021 2 H2 VAL 1 2HT VAL 1 14.389 -0.490 5.086 3 H3 VAL 1 3HT VAL 1 13.586 -0.814 3.631 4 HA VAL 1 HA VAL 1 12.714 1.174 4.621 5 HB VAL 1 HB VAL 1 10.891 -1.233 4.632 6 HG11 VAL 1 2HG1 VAL 1 8.985 0.315 4.631 7 HG12 VAL 1 3HG1 VAL 1 10.086 1.660 4.924 8 HG13 VAL 1 1HG1 VAL 1 9.892 0.396 6.141 9 HG21 VAL 1 1HG2 VAL 1 11.811 -0.599 2.477 10 HG22 VAL 1 2HG2 VAL 1 11.257 1.062 2.709 11 HG23 VAL 1 3HG2 VAL 1 10.083 -0.244 2.533 12 H ASP 2 H ASP 2 12.809 2.275 6.436 13 HA ASP 2 HA ASP 2 12.597 0.934 9.007 14 HB2 ASP 2 2HB ASP 2 14.247 2.814 8.509 15 HB3 ASP 2 1HB ASP 2 12.863 3.904 8.513 16 H MET 3 H MET 3 10.972 1.587 10.597 17 HA MET 3 HA MET 3 8.458 1.986 9.150 18 HB2 MET 3 2HB MET 3 8.832 0.785 11.884 19 HB3 MET 3 1HB MET 3 7.404 0.716 10.869 20 HG2 MET 3 2HG MET 3 9.210 -0.410 9.225 21 HG3 MET 3 1HG MET 3 9.864 -0.884 10.790 22 HE1 MET 3 3HE MET 3 6.170 -0.439 9.368 23 HE2 MET 3 1HE MET 3 5.826 -2.127 8.994 24 HE3 MET 3 2HE MET 3 7.132 -1.286 8.153 25 H SER 4 H SER 4 10.434 3.922 10.748 26 HA SER 4 HA SER 4 8.631 5.127 12.634 27 HB2 SER 4 2HB SER 4 10.420 6.930 12.701 28 HB3 SER 4 1HB SER 4 10.963 5.308 13.137 29 HG SER 4 HG SER 4 11.947 5.094 11.179 30 H ASN 5 H ASN 5 9.401 5.470 9.296 31 HA ASN 5 HA ASN 5 7.884 7.970 9.146 32 HB2 ASN 5 2HB ASN 5 8.811 8.092 6.799 33 HB3 ASN 5 1HB ASN 5 9.983 8.267 8.096 34 HD21 ASN 5 1HD2 ASN 5 8.601 5.182 7.097 35 HD22 ASN 5 2HD2 ASN 5 10.073 4.529 6.468 36 H VAL 6 H VAL 6 7.246 4.881 9.080 37 HA VAL 6 HA VAL 6 5.472 4.960 6.742 38 HB VAL 6 HB VAL 6 6.398 2.623 8.426 39 HG11 VAL 6 1HG1 VAL 6 4.575 2.708 6.026 40 HG12 VAL 6 2HG1 VAL 6 4.125 2.255 7.670 41 HG13 VAL 6 3HG1 VAL 6 5.231 1.239 6.745 42 HG21 VAL 6 3HG2 VAL 6 8.112 3.486 6.934 43 HG22 VAL 6 1HG2 VAL 6 6.994 3.394 5.572 44 HG23 VAL 6 2HG2 VAL 6 7.533 1.917 6.373 45 H VAL 7 H VAL 7 3.459 5.562 7.140 46 HA VAL 7 HA VAL 7 2.429 5.498 9.838 47 HB VAL 7 HB VAL 7 0.296 6.396 8.772 48 HG11 VAL 7 1HG1 VAL 7 1.847 7.842 9.906 49 HG12 VAL 7 2HG1 VAL 7 1.296 8.641 8.431 50 HG13 VAL 7 3HG1 VAL 7 2.894 7.896 8.488 51 HG21 VAL 7 3HG2 VAL 7 2.090 6.761 6.373 52 HG22 VAL 7 1HG2 VAL 7 0.415 7.291 6.543 53 HG23 VAL 7 2HG2 VAL 7 0.786 5.568 6.471 54 H LYS 8 H LYS 8 2.211 3.491 7.039 55 HA LYS 8 HA LYS 8 1.085 1.382 8.568 56 HB2 LYS 8 2HB LYS 8 -1.000 2.628 8.137 57 HB3 LYS 8 1HB LYS 8 -0.696 2.535 6.409 58 HG2 LYS 8 2HG LYS 8 -2.342 0.883 7.117 59 HG3 LYS 8 1HG LYS 8 -0.885 0.109 6.493 60 HD2 LYS 8 2HD LYS 8 -0.093 -0.194 8.812 61 HD3 LYS 8 1HD LYS 8 -1.611 0.491 9.394 62 HE2 LYS 8 2HE LYS 8 -2.866 -1.319 8.467 63 HE3 LYS 8 1HE LYS 8 -1.451 -1.930 7.610 64 HZ1 LYS 8 3HZ LYS 8 -0.423 -2.389 9.774 65 HZ2 LYS 8 1HZ LYS 8 -1.866 -3.247 9.561 66 HZ3 LYS 8 2HZ LYS 8 -1.832 -1.877 10.561 67 H THR 9 H THR 9 1.565 -0.522 7.736 68 HA THR 9 HA THR 9 2.613 -0.610 4.982 69 HB THR 9 HB THR 9 3.382 -2.168 7.434 70 HG1 THR 9 1HG THR 9 4.500 -0.305 7.356 71 HG21 THR 9 3HG2 THR 9 4.320 -2.636 4.610 72 HG22 THR 9 1HG2 THR 9 3.291 -3.723 5.541 73 HG23 THR 9 2HG2 THR 9 4.953 -3.429 6.051 74 H TYR 10 H TYR 10 1.949 -2.280 3.655 75 HA TYR 10 HA TYR 10 -0.279 -3.907 4.655 76 HB2 TYR 10 2HB TYR 10 -0.046 -2.360 2.104 77 HB3 TYR 10 1HB TYR 10 -1.117 -3.759 2.229 78 HD1 TYR 10 2HD TYR 10 -2.543 -3.706 4.548 79 HD2 TYR 10 1HD TYR 10 -1.008 -0.360 2.440 80 HE1 TYR 10 2HE TYR 10 -4.281 -2.276 5.563 81 HE2 TYR 10 1HE TYR 10 -2.716 1.076 3.419 82 HH TYR 10 HH TYR 10 -5.016 0.814 4.408 83 H ASP 11 H ASP 11 -0.332 -5.890 4.285 84 HA ASP 11 HA ASP 11 1.946 -7.083 2.877 85 HB2 ASP 11 2HB ASP 11 0.278 -7.896 5.188 86 HB3 ASP 11 1HB ASP 11 0.767 -9.191 4.101 87 H LEU 12 H LEU 12 1.651 -7.996 1.028 88 HA LEU 12 HA LEU 12 -1.061 -8.365 -0.018 89 HB2 LEU 12 2HB LEU 12 1.575 -8.726 -1.452 90 HB3 LEU 12 1HB LEU 12 -0.012 -8.830 -2.188 91 HG LEU 12 HG LEU 12 1.507 -6.421 -1.293 92 HD11 LEU 12 1HD1 LEU 12 0.766 -5.567 -3.434 93 HD12 LEU 12 2HD1 LEU 12 -0.232 -6.999 -3.684 94 HD13 LEU 12 3HD1 LEU 12 1.523 -7.146 -3.639 95 HD21 LEU 12 3HD2 LEU 12 -0.587 -6.233 -0.061 96 HD22 LEU 12 1HD2 LEU 12 -1.497 -6.526 -1.545 97 HD23 LEU 12 2HD2 LEU 12 -0.524 -5.064 -1.381 98 H GLN 13 H GLN 13 -1.753 -10.395 -0.917 99 HA GLN 13 HA GLN 13 -1.446 -12.331 1.065 100 HB2 GLN 13 2HB GLN 13 -3.477 -11.926 -0.309 101 HB3 GLN 13 1HB GLN 13 -2.677 -12.741 -1.648 102 HG2 GLN 13 2HG GLN 13 -2.459 -14.756 -0.236 103 HG3 GLN 13 1HG GLN 13 -3.386 -13.930 1.019 104 HE21 GLN 13 1HE2 GLN 13 -3.465 -15.390 -2.124 105 HE22 GLN 13 2HE2 GLN 13 -5.191 -15.505 -2.258 106 H ASP 14 H ASP 14 0.390 -12.021 -1.883 107 HA ASP 14 HA ASP 14 1.058 -14.873 -1.797 108 HB2 ASP 14 2HB ASP 14 0.434 -14.209 -4.012 109 HB3 ASP 14 1HB ASP 14 1.452 -12.771 -3.937 110 H GLY 15 H GLY 15 2.499 -11.689 -1.993 111 HA2 GLY 15 2HA GLY 15 4.706 -12.072 -0.398 112 HA3 GLY 15 1HA GLY 15 5.122 -12.731 -1.968 113 H SER 16 H SER 16 3.580 -9.853 -0.650 114 HA SER 16 HA SER 16 5.673 -8.209 -1.708 115 HB2 SER 16 2HB SER 16 2.879 -7.480 -2.544 116 HB3 SER 16 1HB SER 16 4.398 -6.845 -3.142 117 HG SER 16 HG SER 16 4.660 -9.235 -3.807 118 H LYS 17 H LYS 17 5.821 -6.336 -0.528 119 HA LYS 17 HA LYS 17 3.715 -5.873 1.464 120 HB2 LYS 17 2HB LYS 17 5.628 -6.943 2.510 121 HB3 LYS 17 1HB LYS 17 6.726 -5.756 1.811 122 HG2 LYS 17 2HG LYS 17 5.574 -4.020 3.157 123 HG3 LYS 17 1HG LYS 17 4.599 -5.296 3.898 124 HD2 LYS 17 2HD LYS 17 7.614 -5.185 3.959 125 HD3 LYS 17 1HD LYS 17 6.572 -4.599 5.255 126 HE2 LYS 17 2HE LYS 17 6.466 -7.426 4.231 127 HE3 LYS 17 1HE LYS 17 7.538 -6.926 5.536 128 HZ1 LYS 17 3HZ LYS 17 5.512 -6.114 6.716 129 HZ2 LYS 17 1HZ LYS 17 5.583 -7.793 6.506 130 HZ3 LYS 17 2HZ LYS 17 4.565 -6.863 5.519 131 H VAL 18 H VAL 18 2.914 -3.905 1.426 132 HA VAL 18 HA VAL 18 4.336 -1.817 -0.102 133 HB VAL 18 HB VAL 18 1.378 -2.159 0.492 134 HG11 VAL 18 1HG1 VAL 18 2.794 -0.020 -1.105 135 HG12 VAL 18 2HG1 VAL 18 1.911 0.202 0.406 136 HG13 VAL 18 3HG1 VAL 18 1.049 -0.258 -1.062 137 HG21 VAL 18 3HG2 VAL 18 1.151 -2.543 -1.914 138 HG22 VAL 18 1HG2 VAL 18 2.215 -3.737 -1.172 139 HG23 VAL 18 2HG2 VAL 18 2.900 -2.407 -2.105 140 H HIS 19 H HIS 19 4.518 0.263 0.869 141 HA HIS 19 HA HIS 19 3.365 0.489 3.571 142 HB2 HIS 19 2HB HIS 19 5.945 1.884 2.969 143 HB3 HIS 19 1HB HIS 19 5.268 1.432 4.526 144 HD1 HIS 19 1HD HIS 19 5.851 -0.917 5.422 145 HD2 HIS 19 2HD HIS 19 7.344 -0.079 1.663 146 HE1 HIS 19 1HE HIS 19 7.541 -2.721 4.958 147 HE2 HIS 19 2HE HIS 19 8.523 -2.149 2.705 148 H VAL 20 H VAL 20 2.217 2.279 3.870 149 HA VAL 20 HA VAL 20 2.484 4.420 1.891 150 HB VAL 20 HB VAL 20 0.504 4.234 4.175 151 HG11 VAL 20 1HG1 VAL 20 0.974 6.522 3.425 152 HG12 VAL 20 2HG1 VAL 20 -0.663 6.035 2.983 153 HG13 VAL 20 3HG1 VAL 20 0.611 6.058 1.763 154 HG21 VAL 20 3HG2 VAL 20 0.192 2.438 2.502 155 HG22 VAL 20 1HG2 VAL 20 0.057 3.666 1.243 156 HG23 VAL 20 2HG2 VAL 20 -1.152 3.583 2.528 157 H PHE 21 H PHE 21 3.894 5.920 2.328 158 HA PHE 21 HA PHE 21 5.119 5.956 4.946 159 HB2 PHE 21 2HB PHE 21 5.760 7.234 2.309 160 HB3 PHE 21 1HB PHE 21 6.621 7.685 3.773 161 HD1 PHE 21 1HD PHE 21 5.964 5.008 1.373 162 HD2 PHE 21 2HD PHE 21 8.284 6.175 4.767 163 HE1 PHE 21 1HE PHE 21 7.441 3.075 1.035 164 HE2 PHE 21 2HE PHE 21 9.752 4.245 4.415 165 HZ PHE 21 HZ PHE 21 9.463 2.776 2.645 166 H LYS 22 H LYS 22 5.353 7.814 6.203 167 HA LYS 22 HA LYS 22 2.995 9.278 6.617 168 HB2 LYS 22 2HB LYS 22 4.224 10.404 8.341 169 HB3 LYS 22 1HB LYS 22 4.825 8.747 8.283 170 HG2 LYS 22 2HG LYS 22 6.757 9.403 7.087 171 HG3 LYS 22 1HG LYS 22 6.151 11.047 6.891 172 HD2 LYS 22 2HD LYS 22 6.111 11.057 9.491 173 HD3 LYS 22 1HD LYS 22 7.219 9.691 9.336 174 HE2 LYS 22 2HE LYS 22 7.611 12.458 8.196 175 HE3 LYS 22 1HE LYS 22 8.452 11.769 9.582 176 HZ1 LYS 22 3HZ LYS 22 8.615 10.719 6.800 177 HZ2 LYS 22 1HZ LYS 22 9.477 10.148 8.150 178 HZ3 LYS 22 2HZ LYS 22 9.780 11.700 7.545 179 H ASP 23 H ASP 23 5.608 9.773 4.488 180 HA ASP 23 HA ASP 23 5.242 12.637 4.264 181 HB2 ASP 23 2HB ASP 23 7.174 10.823 2.805 182 HB3 ASP 23 1HB ASP 23 7.222 12.582 2.854 183 H GLY 24 H GLY 24 3.841 9.929 3.159 184 HA2 GLY 24 2HA GLY 24 1.976 10.071 1.784 185 HA3 GLY 24 1HA GLY 24 2.707 11.426 0.974 186 H LYS 25 H LYS 25 5.238 9.377 0.884 187 HA LYS 25 HA LYS 25 4.467 8.336 -1.682 188 HB2 LYS 25 2HB LYS 25 7.023 8.189 -0.096 189 HB3 LYS 25 1HB LYS 25 6.803 7.357 -1.627 190 HG2 LYS 25 2HG LYS 25 7.744 9.233 -2.418 191 HG3 LYS 25 1HG LYS 25 6.080 9.805 -2.382 192 HD2 LYS 25 2HD LYS 25 7.586 11.455 -1.411 193 HD3 LYS 25 1HD LYS 25 6.473 10.823 -0.196 194 HE2 LYS 25 2HE LYS 25 8.144 9.520 0.814 195 HE3 LYS 25 1HE LYS 25 9.220 9.669 -0.574 196 HZ1 LYS 25 3HZ LYS 25 9.799 11.814 -0.003 197 HZ2 LYS 25 1HZ LYS 25 9.691 11.060 1.511 198 HZ3 LYS 25 2HZ LYS 25 8.432 12.059 0.964 199 H MET 26 H MET 26 5.363 5.987 -2.042 200 HA MET 26 HA MET 26 4.530 4.234 0.124 201 HB2 MET 26 2HB MET 26 3.493 4.127 -2.713 202 HB3 MET 26 1HB MET 26 3.307 2.823 -1.551 203 HG2 MET 26 2HG MET 26 1.276 3.940 -1.484 204 HG3 MET 26 1HG MET 26 2.140 4.544 -0.075 205 HE1 MET 26 3HE MET 26 1.029 5.379 -3.789 206 HE2 MET 26 1HE MET 26 2.785 5.535 -3.822 207 HE3 MET 26 2HE MET 26 1.768 6.965 -3.996 208 H GLY 27 H GLY 27 5.607 2.333 0.208 209 HA2 GLY 27 2HA GLY 27 7.737 1.956 -1.804 210 HA3 GLY 27 1HA GLY 27 7.907 1.550 -0.101 211 H MET 28 H MET 28 7.722 0.146 -2.928 212 HA MET 28 HA MET 28 5.855 -1.971 -2.124 213 HB2 MET 28 2HB MET 28 6.039 -0.604 -4.480 214 HB3 MET 28 1HB MET 28 7.017 -2.020 -4.830 215 HG2 MET 28 2HG MET 28 4.166 -2.054 -3.874 216 HG3 MET 28 1HG MET 28 4.699 -2.292 -5.534 217 HE1 MET 28 3HE MET 28 3.496 -5.859 -4.610 218 HE2 MET 28 1HE MET 28 3.428 -4.552 -5.789 219 HE3 MET 28 2HE MET 28 2.763 -4.316 -4.175 220 H GLU 29 H GLU 29 6.677 -3.804 -1.396 221 HA GLU 29 HA GLU 29 9.372 -4.618 -2.268 222 HB2 GLU 29 2HB GLU 29 8.110 -4.706 0.461 223 HB3 GLU 29 1HB GLU 29 9.339 -5.882 0.021 224 HG2 GLU 29 2HG GLU 29 10.959 -4.177 -0.318 225 HG3 GLU 29 1HG GLU 29 9.746 -2.909 -0.132 226 H ASN 30 H ASN 30 9.651 -6.900 -2.555 227 HA ASN 30 HA ASN 30 7.095 -8.325 -2.803 228 HB2 ASN 30 2HB ASN 30 8.213 -9.872 -4.307 229 HB3 ASN 30 1HB ASN 30 8.488 -8.218 -4.847 230 HD21 ASN 30 1HD2 ASN 30 10.539 -7.386 -4.796 231 HD22 ASN 30 2HD2 ASN 30 11.930 -8.370 -4.512 232 H LYS 31 H LYS 31 7.364 -10.765 -2.458 233 HA LYS 31 HA LYS 31 7.626 -11.329 0.160 234 HB2 LYS 31 2HB LYS 31 8.102 -13.758 -0.654 235 HB3 LYS 31 1HB LYS 31 6.548 -12.993 -0.939 236 HG2 LYS 31 2HG LYS 31 7.268 -12.457 -3.233 237 HG3 LYS 31 1HG LYS 31 8.799 -13.282 -2.924 238 HD2 LYS 31 2HD LYS 31 7.660 -15.375 -2.566 239 HD3 LYS 31 1HD LYS 31 6.087 -14.585 -2.676 240 HE2 LYS 31 2HE LYS 31 8.102 -14.734 -4.916 241 HE3 LYS 31 1HE LYS 31 6.729 -15.824 -4.730 242 HZ1 LYS 31 3HZ LYS 31 5.252 -13.873 -4.881 243 HZ2 LYS 31 1HZ LYS 31 6.189 -14.090 -6.280 244 HZ3 LYS 31 2HZ LYS 31 6.606 -12.886 -5.169 245 H PHE 32 H PHE 32 10.369 -10.932 -1.941 246 HA PHE 32 HA PHE 32 12.059 -12.480 -0.138 247 HB2 PHE 32 2HB PHE 32 12.749 -11.021 -2.697 248 HB3 PHE 32 1HB PHE 32 13.853 -12.029 -1.767 249 HD1 PHE 32 1HD PHE 32 13.388 -14.484 -1.570 250 HD2 PHE 32 2HD PHE 32 11.244 -11.957 -4.236 251 HE1 PHE 32 1HE PHE 32 12.629 -16.458 -2.831 252 HE2 PHE 32 2HE PHE 32 10.480 -13.916 -5.498 253 HZ PHE 32 HZ PHE 32 11.172 -16.178 -4.799 254 H GLY 33 H GLY 33 10.738 -9.517 -0.018 255 HA2 GLY 33 2HA GLY 33 11.154 -7.897 1.541 256 HA3 GLY 33 1HA GLY 33 12.672 -8.687 1.937 257 H LYS 34 H LYS 34 11.850 -7.890 -1.313 258 HA LYS 34 HA LYS 34 14.010 -5.887 -1.265 259 HB2 LYS 34 2HB LYS 34 13.115 -7.572 -3.594 260 HB3 LYS 34 1HB LYS 34 14.482 -6.471 -3.571 261 HG2 LYS 34 2HG LYS 34 14.300 -8.680 -1.608 262 HG3 LYS 34 1HG LYS 34 14.878 -9.004 -3.241 263 HD2 LYS 34 2HD LYS 34 16.673 -7.409 -2.944 264 HD3 LYS 34 1HD LYS 34 16.026 -6.929 -1.375 265 HE2 LYS 34 2HE LYS 34 16.972 -9.711 -2.039 266 HE3 LYS 34 1HE LYS 34 17.963 -8.489 -1.241 267 HZ1 LYS 34 3HZ LYS 34 15.386 -9.540 -0.187 268 HZ2 LYS 34 1HZ LYS 34 16.407 -8.421 0.583 269 HZ3 LYS 34 2HZ LYS 34 16.923 -10.021 0.339 270 H SER 35 H SER 35 13.777 -4.009 -2.103 271 HA SER 35 HA SER 35 11.062 -3.065 -2.492 272 HB2 SER 35 2HB SER 35 12.716 -1.877 -1.048 273 HB3 SER 35 1HB SER 35 13.648 -1.494 -2.491 274 HG SER 35 HG SER 35 12.275 0.031 -2.974 275 H MET 36 H MET 36 10.143 -2.545 -4.376 276 HA MET 36 HA MET 36 11.797 -2.073 -6.730 277 HB2 MET 36 2HB MET 36 9.931 -3.693 -7.864 278 HB3 MET 36 1HB MET 36 11.550 -4.202 -7.409 279 HG2 MET 36 2HG MET 36 10.038 -5.837 -6.614 280 HG3 MET 36 1HG MET 36 10.621 -4.939 -5.217 281 HE1 MET 36 3HE MET 36 7.625 -5.811 -7.513 282 HE2 MET 36 1HE MET 36 7.823 -4.104 -7.909 283 HE3 MET 36 2HE MET 36 6.395 -4.645 -7.026 284 H ASN 37 H ASN 37 10.065 -1.784 -8.692 285 HA ASN 37 HA ASN 37 8.664 0.587 -7.850 286 HB2 ASN 37 2HB ASN 37 8.173 0.862 -10.288 287 HB3 ASN 37 1HB ASN 37 9.887 0.737 -9.909 288 HD21 ASN 37 1HD2 ASN 37 11.053 -1.005 -10.628 289 HD22 ASN 37 2HD2 ASN 37 10.423 -2.156 -11.766 290 H MET 38 H MET 38 6.501 0.994 -7.939 291 HA MET 38 HA MET 38 4.787 -1.371 -7.849 292 HB2 MET 38 2HB MET 38 4.771 0.269 -5.973 293 HB3 MET 38 1HB MET 38 4.170 1.491 -7.085 294 HG2 MET 38 2HG MET 38 2.133 0.250 -7.419 295 HG3 MET 38 1HG MET 38 2.747 -1.078 -6.434 296 HE1 MET 38 3HE MET 38 -0.028 0.303 -4.093 297 HE2 MET 38 1HE MET 38 0.673 -1.129 -4.846 298 HE3 MET 38 2HE MET 38 -0.082 0.113 -5.846 299 HA PRO 39 HA PRO 39 3.278 -0.364 -11.902 300 HB2 PRO 39 2HB PRO 39 1.460 -2.348 -12.102 301 HB3 PRO 39 1HB PRO 39 3.199 -2.646 -12.210 302 HG2 PRO 39 2HG PRO 39 1.347 -3.040 -9.894 303 HG3 PRO 39 1HG PRO 39 2.662 -4.081 -10.468 304 HD2 PRO 39 2HD PRO 39 2.899 -2.362 -8.353 305 HD3 PRO 39 1HD PRO 39 4.265 -2.867 -9.368 306 H GLU 40 H GLU 40 1.712 0.922 -12.670 307 HA GLU 40 HA GLU 40 -0.482 1.655 -10.883 308 HB2 GLU 40 2HB GLU 40 0.874 3.457 -11.881 309 HB3 GLU 40 1HB GLU 40 0.415 2.906 -13.488 310 HG2 GLU 40 2HG GLU 40 -1.955 3.355 -12.902 311 HG3 GLU 40 1HG GLU 40 -1.403 4.028 -11.372 312 H GLY 41 H GLY 41 -2.640 1.565 -11.478 313 HA2 GLY 41 2HA GLY 41 -4.424 1.240 -13.002 314 HA3 GLY 41 1HA GLY 41 -3.309 0.432 -14.092 315 H LYS 42 H LYS 42 -2.448 -0.949 -11.397 316 HA LYS 42 HA LYS 42 -4.391 -3.127 -11.718 317 HB2 LYS 42 2HB LYS 42 -1.529 -3.137 -10.785 318 HB3 LYS 42 1HB LYS 42 -2.582 -4.540 -10.711 319 HG2 LYS 42 2HG LYS 42 -2.838 -4.488 -13.135 320 HG3 LYS 42 1HG LYS 42 -1.793 -3.068 -13.216 321 HD2 LYS 42 2HD LYS 42 -0.595 -5.148 -13.766 322 HD3 LYS 42 1HD LYS 42 0.069 -4.351 -12.337 323 HE2 LYS 42 2HE LYS 42 -0.100 -6.776 -12.025 324 HE3 LYS 42 1HE LYS 42 -1.127 -5.900 -10.894 325 HZ1 LYS 42 3HZ LYS 42 -3.041 -6.408 -12.228 326 HZ2 LYS 42 1HZ LYS 42 -2.220 -7.850 -11.881 327 HZ3 LYS 42 2HZ LYS 42 -2.083 -7.144 -13.419 328 H VAL 43 H VAL 43 -5.645 -3.687 -10.090 329 HA VAL 43 HA VAL 43 -5.178 -2.479 -7.480 330 HB VAL 43 HB VAL 43 -7.462 -2.326 -8.334 331 HG11 VAL 43 1HG1 VAL 43 -7.463 -5.338 -8.277 332 HG12 VAL 43 2HG1 VAL 43 -7.572 -4.310 -9.706 333 HG13 VAL 43 3HG1 VAL 43 -8.881 -4.318 -8.524 334 HG21 VAL 43 3HG2 VAL 43 -7.134 -2.412 -5.938 335 HG22 VAL 43 1HG2 VAL 43 -7.224 -4.172 -5.968 336 HG23 VAL 43 2HG2 VAL 43 -8.644 -3.207 -6.382 337 H MET 44 H MET 44 -4.367 -3.565 -5.821 338 HA MET 44 HA MET 44 -3.903 -6.443 -6.202 339 HB2 MET 44 2HB MET 44 -1.814 -6.115 -4.864 340 HB3 MET 44 1HB MET 44 -1.801 -5.323 -6.434 341 HG2 MET 44 2HG MET 44 -2.459 -3.208 -5.260 342 HG3 MET 44 1HG MET 44 -2.186 -4.054 -3.739 343 HE1 MET 44 3HE MET 44 1.112 -3.257 -6.870 344 HE2 MET 44 1HE MET 44 -0.561 -2.726 -7.048 345 HE3 MET 44 2HE MET 44 -0.170 -4.445 -7.103 346 H GLU 45 H GLU 45 -3.975 -7.758 -4.329 347 HA GLU 45 HA GLU 45 -5.759 -6.617 -2.324 348 HB2 GLU 45 2HB GLU 45 -6.652 -8.413 -3.775 349 HB3 GLU 45 1HB GLU 45 -5.397 -9.493 -3.183 350 HG2 GLU 45 2HG GLU 45 -6.287 -9.388 -0.974 351 HG3 GLU 45 1HG GLU 45 -7.491 -8.199 -1.462 352 H THR 46 H THR 46 -5.550 -7.275 -0.192 353 HA THR 46 HA THR 46 -2.751 -7.784 0.573 354 HB THR 46 HB THR 46 -3.244 -6.800 2.733 355 HG1 THR 46 1HG THR 46 -5.236 -6.375 3.391 356 HG21 THR 46 3HG2 THR 46 -2.605 -5.281 0.910 357 HG22 THR 46 1HG2 THR 46 -3.688 -4.498 2.059 358 HG23 THR 46 2HG2 THR 46 -4.308 -5.060 0.507 359 H ARG 47 H ARG 47 -2.397 -9.097 2.546 360 HA ARG 47 HA ARG 47 -3.527 -11.627 2.388 361 HB2 ARG 47 2HB ARG 47 -1.948 -10.186 4.482 362 HB3 ARG 47 1HB ARG 47 -2.605 -11.780 4.821 363 HG2 ARG 47 2HG ARG 47 -1.373 -12.711 2.948 364 HG3 ARG 47 1HG ARG 47 -0.753 -11.107 2.546 365 HD2 ARG 47 2HD ARG 47 0.599 -11.023 4.443 366 HD3 ARG 47 1HD ARG 47 -0.305 -12.298 5.261 367 HE ARG 47 HE ARG 47 0.646 -13.746 3.346 368 HH11 ARG 47 1HH1 ARG 47 2.369 -11.080 4.884 369 HH12 ARG 47 2HH1 ARG 47 3.926 -11.806 4.638 370 HH21 ARG 47 1HH2 ARG 47 2.721 -14.666 3.051 371 HH22 ARG 47 2HH2 ARG 47 4.130 -13.807 3.604 372 H ASP 48 H ASP 48 -4.811 -8.823 3.882 373 HA ASP 48 HA ASP 48 -6.435 -10.408 5.732 374 HB2 ASP 48 2HB ASP 48 -6.943 -8.325 6.856 375 HB3 ASP 48 1HB ASP 48 -5.199 -8.465 6.630 376 H GLY 49 H GLY 49 -6.632 -8.757 2.726 377 HA2 GLY 49 2HA GLY 49 -8.555 -9.332 1.365 378 HA3 GLY 49 1HA GLY 49 -9.549 -9.161 2.801 379 H THR 50 H THR 50 -7.082 -6.763 2.248 380 HA THR 50 HA THR 50 -9.167 -4.835 1.538 381 HB THR 50 HB THR 50 -6.316 -4.408 2.480 382 HG1 THR 50 1HG THR 50 -7.537 -5.132 4.199 383 HG21 THR 50 3HG2 THR 50 -8.539 -2.392 2.098 384 HG22 THR 50 1HG2 THR 50 -7.113 -2.556 1.071 385 HG23 THR 50 2HG2 THR 50 -6.934 -2.058 2.753 386 H LYS 51 H LYS 51 -8.902 -3.493 -0.308 387 HA LYS 51 HA LYS 51 -6.986 -4.552 -2.276 388 HB2 LYS 51 2HB LYS 51 -9.589 -3.117 -2.826 389 HB3 LYS 51 1HB LYS 51 -8.533 -3.873 -4.014 390 HG2 LYS 51 2HG LYS 51 -8.999 -6.056 -3.091 391 HG3 LYS 51 1HG LYS 51 -9.991 -5.334 -1.824 392 HD2 LYS 51 2HD LYS 51 -11.434 -4.381 -3.656 393 HD3 LYS 51 1HD LYS 51 -10.530 -5.394 -4.783 394 HE2 LYS 51 2HE LYS 51 -12.647 -6.430 -4.048 395 HE3 LYS 51 1HE LYS 51 -11.229 -7.388 -3.622 396 HZ1 LYS 51 3HZ LYS 51 -11.428 -6.848 -1.398 397 HZ2 LYS 51 1HZ LYS 51 -13.045 -7.033 -1.867 398 HZ3 LYS 51 2HZ LYS 51 -12.387 -5.479 -1.688 399 H ILE 52 H ILE 52 -5.539 -3.200 -3.151 400 HA ILE 52 HA ILE 52 -5.891 -0.309 -2.805 401 HB ILE 52 HB ILE 52 -3.504 -0.073 -2.192 402 HG12 ILE 52 2HG1 ILE 52 -3.565 -3.087 -1.880 403 HG13 ILE 52 1HG1 ILE 52 -2.729 -2.222 -3.164 404 HG21 ILE 52 1HG2 ILE 52 -5.045 -1.843 -0.295 405 HG22 ILE 52 2HG2 ILE 52 -5.249 -0.102 -0.465 406 HG23 ILE 52 3HG2 ILE 52 -3.723 -0.753 0.128 407 HD11 ILE 52 3HD1 ILE 52 -1.172 -2.911 -1.455 408 HD12 ILE 52 1HD1 ILE 52 -2.115 -2.072 -0.221 409 HD13 ILE 52 2HD1 ILE 52 -1.297 -1.151 -1.483 410 H ILE 53 H ILE 53 -4.512 0.965 -4.207 411 HA ILE 53 HA ILE 53 -2.941 -0.271 -6.252 412 HB ILE 53 HB ILE 53 -4.851 -0.744 -7.523 413 HG12 ILE 53 2HG1 ILE 53 -3.709 1.917 -8.356 414 HG13 ILE 53 1HG1 ILE 53 -3.369 0.322 -9.015 415 HG21 ILE 53 1HG2 ILE 53 -6.475 0.412 -6.120 416 HG22 ILE 53 2HG2 ILE 53 -6.747 0.747 -7.831 417 HG23 ILE 53 3HG2 ILE 53 -5.975 1.960 -6.808 418 HD11 ILE 53 3HD1 ILE 53 -4.690 1.768 -10.510 419 HD12 ILE 53 1HD1 ILE 53 -5.989 1.768 -9.316 420 HD13 ILE 53 2HD1 ILE 53 -5.508 0.258 -10.094 421 H MET 54 H MET 54 -1.776 1.265 -7.504 422 HA MET 54 HA MET 54 -1.751 3.958 -6.309 423 HB2 MET 54 2HB MET 54 0.352 2.551 -6.126 424 HB3 MET 54 1HB MET 54 0.462 2.596 -7.877 425 HG2 MET 54 2HG MET 54 0.414 5.084 -6.198 426 HG3 MET 54 1HG MET 54 1.901 4.223 -6.580 427 HE1 MET 54 3HE MET 54 2.042 4.540 -10.484 428 HE2 MET 54 1HE MET 54 1.315 3.223 -9.564 429 HE3 MET 54 2HE MET 54 2.845 3.922 -9.041 430 H LYS 55 H LYS 55 -2.525 5.512 -7.548 431 HA LYS 55 HA LYS 55 -2.423 5.197 -10.459 432 HB2 LYS 55 2HB LYS 55 -4.662 4.478 -9.715 433 HB3 LYS 55 1HB LYS 55 -4.884 6.021 -8.901 434 HG2 LYS 55 2HG LYS 55 -6.055 5.960 -11.031 435 HG3 LYS 55 1HG LYS 55 -4.782 7.181 -11.040 436 HD2 LYS 55 2HD LYS 55 -3.303 5.493 -12.156 437 HD3 LYS 55 1HD LYS 55 -4.722 4.454 -12.317 438 HE2 LYS 55 2HE LYS 55 -5.844 6.150 -13.639 439 HE3 LYS 55 1HE LYS 55 -4.491 7.256 -13.413 440 HZ1 LYS 55 3HZ LYS 55 -4.564 4.753 -14.994 441 HZ2 LYS 55 1HZ LYS 55 -3.099 5.486 -14.533 442 HZ3 LYS 55 2HZ LYS 55 -4.194 6.325 -15.519 443 H GLY 56 H GLY 56 -1.415 6.866 -11.281 444 HA2 GLY 56 2HA GLY 56 -0.596 8.988 -11.583 445 HA3 GLY 56 1HA GLY 56 -2.068 9.552 -10.806 446 H ASN 57 H ASN 57 0.577 7.592 -9.481 447 HA ASN 57 HA ASN 57 2.119 7.957 -7.859 448 HB2 ASN 57 2HB ASN 57 3.194 9.883 -8.192 449 HB3 ASN 57 1HB ASN 57 1.804 10.516 -9.058 450 HD21 ASN 57 1HD2 ASN 57 0.310 11.806 -7.948 451 HD22 ASN 57 2HD2 ASN 57 0.732 12.613 -6.471 452 H GLU 58 H GLU 58 -1.080 8.332 -7.531 453 HA GLU 58 HA GLU 58 -0.982 8.875 -4.641 454 HB2 GLU 58 2HB GLU 58 -3.359 8.841 -6.501 455 HB3 GLU 58 1HB GLU 58 -3.401 9.241 -4.790 456 HG2 GLU 58 2HG GLU 58 -2.017 11.197 -5.195 457 HG3 GLU 58 1HG GLU 58 -1.927 10.790 -6.908 458 H ILE 59 H ILE 59 -1.918 7.459 -3.189 459 HA ILE 59 HA ILE 59 -2.337 4.777 -4.254 460 HB ILE 59 HB ILE 59 -1.034 5.766 -1.906 461 HG12 ILE 59 2HG1 ILE 59 -0.234 4.099 -3.561 462 HG13 ILE 59 1HG1 ILE 59 -0.063 3.573 -1.889 463 HG21 ILE 59 1HG2 ILE 59 -3.110 5.370 -0.691 464 HG22 ILE 59 2HG2 ILE 59 -1.880 4.196 -0.225 465 HG23 ILE 59 3HG2 ILE 59 -3.177 3.722 -1.320 466 HD11 ILE 59 3HD1 ILE 59 -2.041 2.173 -2.120 467 HD12 ILE 59 1HD1 ILE 59 -0.827 1.767 -3.332 468 HD13 ILE 59 2HD1 ILE 59 -2.239 2.719 -3.784 469 H PHE 60 H PHE 60 -4.261 4.055 -4.537 470 HA PHE 60 HA PHE 60 -6.575 5.038 -3.096 471 HB2 PHE 60 2HB PHE 60 -7.266 4.435 -5.195 472 HB3 PHE 60 1HB PHE 60 -5.987 3.256 -5.393 473 HD1 PHE 60 1HD PHE 60 -6.318 0.996 -4.082 474 HD2 PHE 60 2HD PHE 60 -9.442 3.749 -4.935 475 HE1 PHE 60 1HE PHE 60 -7.995 -0.768 -3.693 476 HE2 PHE 60 2HE PHE 60 -11.108 2.007 -4.554 477 HZ PHE 60 HZ PHE 60 -10.283 -0.411 -4.229 478 H ARG 61 H ARG 61 -6.894 4.391 -1.078 479 HA ARG 61 HA ARG 61 -6.283 1.584 -0.470 480 HB2 ARG 61 2HB ARG 61 -5.042 3.086 1.004 481 HB3 ARG 61 1HB ARG 61 -6.517 3.949 1.416 482 HG2 ARG 61 2HG ARG 61 -7.378 2.036 2.588 483 HG3 ARG 61 1HG ARG 61 -6.016 1.048 2.056 484 HD2 ARG 61 2HD ARG 61 -5.772 1.821 4.381 485 HD3 ARG 61 1HD ARG 61 -4.483 2.405 3.333 486 HE ARG 61 HE ARG 61 -6.412 4.379 3.359 487 HH11 ARG 61 1HH1 ARG 61 -4.390 2.787 5.727 488 HH12 ARG 61 2HH1 ARG 61 -4.273 4.183 6.763 489 HH21 ARG 61 1HH2 ARG 61 -6.291 6.219 4.734 490 HH22 ARG 61 2HH2 ARG 61 -5.350 6.135 6.191 491 H LEU 62 H LEU 62 -8.010 0.507 -0.813 492 HA LEU 62 HA LEU 62 -10.164 0.166 -1.598 493 HB2 LEU 62 2HB LEU 62 -11.719 -0.091 0.264 494 HB3 LEU 62 1HB LEU 62 -10.135 -0.752 0.611 495 HG LEU 62 HG LEU 62 -10.098 1.885 1.594 496 HD11 LEU 62 1HD1 LEU 62 -11.983 1.908 3.122 497 HD12 LEU 62 2HD1 LEU 62 -12.588 0.407 2.423 498 HD13 LEU 62 3HD1 LEU 62 -12.537 1.877 1.446 499 HD21 LEU 62 3HD2 LEU 62 -8.896 -0.056 2.461 500 HD22 LEU 62 1HD2 LEU 62 -10.418 -0.744 3.030 501 HD23 LEU 62 2HD2 LEU 62 -9.818 0.763 3.726 502 H ASP 63 H ASP 63 -9.340 3.133 -1.625 503 HA ASP 63 HA ASP 63 -10.202 5.251 -1.607 504 HB2 ASP 63 2HB ASP 63 -10.487 4.573 -3.872 505 HB3 ASP 63 1HB ASP 63 -11.972 3.737 -3.485 506 H GLU 64 H GLU 64 -10.823 5.190 0.590 507 HA GLU 64 HA GLU 64 -13.307 6.318 1.105 508 HB2 GLU 64 2HB GLU 64 -14.185 4.022 0.728 509 HB3 GLU 64 1HB GLU 64 -13.131 3.422 2.001 510 HG2 GLU 64 2HG GLU 64 -14.308 4.808 3.627 511 HG3 GLU 64 1HG GLU 64 -15.364 5.408 2.349 512 H ALA 65 H ALA 65 -10.788 4.214 2.374 513 HA ALA 65 HA ALA 65 -10.676 5.230 5.000 514 HB1 ALA 65 1HB ALA 65 -9.476 3.229 3.594 515 HB2 ALA 65 2HB ALA 65 -9.095 3.683 5.256 516 HB3 ALA 65 3HB ALA 65 -8.133 4.325 3.919 517 H LEU 66 H LEU 66 -10.020 6.669 2.127 518 HA LEU 66 HA LEU 66 -8.149 8.627 3.290 519 HB2 LEU 66 2HB LEU 66 -8.643 8.073 0.366 520 HB3 LEU 66 1HB LEU 66 -7.364 9.052 1.061 521 HG LEU 66 HG LEU 66 -7.536 6.126 1.691 522 HD11 LEU 66 1HD1 LEU 66 -6.035 5.697 -0.196 523 HD12 LEU 66 2HD1 LEU 66 -6.242 7.366 -0.729 524 HD13 LEU 66 3HD1 LEU 66 -7.620 6.262 -0.726 525 HD21 LEU 66 3HD2 LEU 66 -6.015 7.542 2.993 526 HD22 LEU 66 1HD2 LEU 66 -5.236 8.066 1.501 527 HD23 LEU 66 2HD2 LEU 66 -5.137 6.377 2.003 528 H ARG 67 H ARG 67 -11.304 8.086 2.269 529 HA ARG 67 HA ARG 67 -11.767 10.527 0.852 530 HB2 ARG 67 2HB ARG 67 -13.015 8.368 0.479 531 HB3 ARG 67 1HB ARG 67 -13.839 8.664 2.005 532 HG2 ARG 67 2HG ARG 67 -15.228 9.393 0.192 533 HG3 ARG 67 1HG ARG 67 -14.673 10.802 1.098 534 HD2 ARG 67 2HD ARG 67 -12.786 10.935 -0.610 535 HD3 ARG 67 1HD ARG 67 -13.729 9.796 -1.566 536 HE ARG 67 HE ARG 67 -15.499 11.780 -1.023 537 HH11 ARG 67 1HH1 ARG 67 -12.285 11.694 -2.402 538 HH12 ARG 67 2HH1 ARG 67 -12.522 13.101 -3.387 539 HH21 ARG 67 1HH2 ARG 67 -15.823 13.660 -2.297 540 HH22 ARG 67 2HH2 ARG 67 -14.547 14.223 -3.336 541 H LYS 68 H LYS 68 -12.799 9.285 4.023 542 HA LYS 68 HA LYS 68 -13.745 11.960 4.741 543 HB2 LYS 68 2HB LYS 68 -14.004 9.297 6.148 544 HB3 LYS 68 1HB LYS 68 -14.654 10.810 6.753 545 HG2 LYS 68 2HG LYS 68 -16.108 10.985 4.810 546 HG3 LYS 68 1HG LYS 68 -15.435 9.485 4.165 547 HD2 LYS 68 2HD LYS 68 -17.544 9.013 5.231 548 HD3 LYS 68 1HD LYS 68 -16.241 8.305 6.187 549 HE2 LYS 68 2HE LYS 68 -17.816 9.345 7.677 550 HE3 LYS 68 1HE LYS 68 -16.324 10.285 7.679 551 HZ1 LYS 68 3HZ LYS 68 -18.290 11.694 7.584 552 HZ2 LYS 68 1HZ LYS 68 -18.768 10.961 6.132 553 HZ3 LYS 68 2HZ LYS 68 -17.344 11.875 6.190 554 H GLY 69 H GLY 69 -10.887 10.781 4.597 555 HA2 GLY 69 2HA GLY 69 -8.904 11.232 5.701 556 HA3 GLY 69 1HA GLY 69 -9.837 12.129 6.897 557 H HIS 70 H HIS 70 -8.573 11.169 8.561 558 HA HIS 70 HA HIS 70 -9.783 8.743 9.531 559 HB2 HIS 70 2HB HIS 70 -7.709 8.196 7.979 560 HB3 HIS 70 1HB HIS 70 -6.792 8.651 9.411 561 HD1 HIS 70 1HD HIS 70 -5.956 6.409 10.162 562 HD2 HIS 70 2HD HIS 70 -10.051 6.417 9.430 563 HE1 HIS 70 1HE HIS 70 -6.779 4.148 10.889 564 HE2 HIS 70 2HE HIS 70 -9.242 4.133 10.356 565 H SER 71 H SER 71 -10.400 9.650 11.406 566 HA SER 71 HA SER 71 -8.312 10.849 13.097 567 HB2 SER 71 2HB SER 71 -11.099 11.978 12.717 568 HB3 SER 71 1HB SER 71 -9.838 12.642 13.758 569 HG SER 71 HG SER 71 -8.751 12.416 11.393 570 H GLU 72 H GLU 72 -8.150 9.358 14.658 571 HA GLU 72 HA GLU 72 -10.338 7.825 15.634 572 HB2 GLU 72 2HB GLU 72 -7.552 8.287 16.693 573 HB3 GLU 72 1HB GLU 72 -8.698 7.195 17.451 574 HG2 GLU 72 2HG GLU 72 -7.189 5.936 16.088 575 HG3 GLU 72 1HG GLU 72 -8.794 5.888 15.368 576 H GLY 73 H GLY 73 -8.681 10.728 16.751 577 HA2 GLY 73 2HA GLY 73 -10.861 11.099 18.701 578 HA3 GLY 73 1HA GLY 73 -9.185 11.397 19.145 579 H GLY 74 H GLY 74 -11.681 12.379 16.821 580 HA2 GLY 74 2HA GLY 74 -11.852 15.001 17.199 581 HA3 GLY 74 1HA GLY 74 -10.299 14.911 16.380 Start of MODEL 4 1 H1 VAL 1 1HT VAL 1 12.356 -2.856 6.655 2 H2 VAL 1 2HT VAL 1 11.374 -2.605 5.299 3 H3 VAL 1 3HT VAL 1 10.678 -2.730 6.838 4 HA VAL 1 HA VAL 1 12.515 -0.575 5.963 5 HB VAL 1 HB VAL 1 10.549 0.913 6.125 6 HG11 VAL 1 2HG1 VAL 1 9.426 0.208 4.062 7 HG12 VAL 1 3HG1 VAL 1 10.169 -1.384 4.208 8 HG13 VAL 1 1HG1 VAL 1 11.178 0.039 3.945 9 HG21 VAL 1 1HG2 VAL 1 8.282 -0.050 6.185 10 HG22 VAL 1 2HG2 VAL 1 9.175 -0.351 7.676 11 HG23 VAL 1 3HG2 VAL 1 8.980 -1.639 6.487 12 H ASP 2 H ASP 2 11.968 1.379 7.601 13 HA ASP 2 HA ASP 2 12.607 0.266 10.207 14 HB2 ASP 2 2HB ASP 2 14.041 2.049 9.183 15 HB3 ASP 2 1HB ASP 2 12.681 3.156 9.337 16 H MET 3 H MET 3 10.080 1.447 8.561 17 HA MET 3 HA MET 3 7.892 1.773 8.967 18 HB2 MET 3 2HB MET 3 8.454 0.541 11.658 19 HB3 MET 3 1HB MET 3 6.896 0.659 10.855 20 HG2 MET 3 2HG MET 3 7.951 -0.722 8.991 21 HG3 MET 3 1HG MET 3 9.235 -1.068 10.147 22 HE1 MET 3 3HE MET 3 5.525 -1.548 9.157 23 HE2 MET 3 1HE MET 3 5.342 -0.625 10.651 24 HE3 MET 3 2HE MET 3 4.823 -2.309 10.590 25 H SER 4 H SER 4 10.092 3.654 10.409 26 HA SER 4 HA SER 4 8.410 4.882 12.407 27 HB2 SER 4 2HB SER 4 11.103 5.766 11.342 28 HB3 SER 4 1HB SER 4 10.305 6.371 12.794 29 HG SER 4 HG SER 4 11.816 4.146 12.457 30 H ASN 5 H ASN 5 9.310 5.408 9.104 31 HA ASN 5 HA ASN 5 7.761 7.894 9.065 32 HB2 ASN 5 2HB ASN 5 8.678 8.106 6.717 33 HB3 ASN 5 1HB ASN 5 9.866 8.218 8.008 34 HD21 ASN 5 1HD2 ASN 5 8.422 5.216 6.878 35 HD22 ASN 5 2HD2 ASN 5 9.882 4.569 6.207 36 H VAL 6 H VAL 6 7.139 4.830 8.954 37 HA VAL 6 HA VAL 6 5.389 4.864 6.606 38 HB VAL 6 HB VAL 6 6.391 2.573 8.314 39 HG11 VAL 6 1HG1 VAL 6 4.099 2.149 7.606 40 HG12 VAL 6 2HG1 VAL 6 5.219 1.111 6.727 41 HG13 VAL 6 3HG1 VAL 6 4.530 2.532 5.940 42 HG21 VAL 6 3HG2 VAL 6 7.518 1.856 6.269 43 HG22 VAL 6 1HG2 VAL 6 8.042 3.471 6.750 44 HG23 VAL 6 2HG2 VAL 6 6.899 3.273 5.423 45 H VAL 7 H VAL 7 3.341 5.404 6.978 46 HA VAL 7 HA VAL 7 2.321 5.333 9.693 47 HB VAL 7 HB VAL 7 0.237 6.328 8.732 48 HG11 VAL 7 1HG1 VAL 7 1.259 8.516 8.260 49 HG12 VAL 7 2HG1 VAL 7 2.835 7.733 8.135 50 HG13 VAL 7 3HG1 VAL 7 1.968 7.729 9.670 51 HG21 VAL 7 3HG2 VAL 7 1.835 6.493 6.175 52 HG22 VAL 7 1HG2 VAL 7 0.223 7.159 6.459 53 HG23 VAL 7 2HG2 VAL 7 0.458 5.410 6.439 54 H LYS 8 H LYS 8 2.166 3.341 6.909 55 HA LYS 8 HA LYS 8 0.972 1.251 8.408 56 HB2 LYS 8 2HB LYS 8 -1.120 2.333 7.964 57 HB3 LYS 8 1HB LYS 8 -0.719 2.548 6.267 58 HG2 LYS 8 2HG LYS 8 -2.305 0.768 6.465 59 HG3 LYS 8 1HG LYS 8 -0.744 0.088 5.998 60 HD2 LYS 8 2HD LYS 8 -0.338 -0.587 8.310 61 HD3 LYS 8 1HD LYS 8 -1.888 0.110 8.795 62 HE2 LYS 8 2HE LYS 8 -3.087 -1.456 7.434 63 HE3 LYS 8 1HE LYS 8 -1.592 -2.060 6.726 64 HZ1 LYS 8 3HZ LYS 8 -2.445 -2.365 9.557 65 HZ2 LYS 8 1HZ LYS 8 -0.954 -2.881 8.932 66 HZ3 LYS 8 2HZ LYS 8 -2.395 -3.582 8.376 67 H THR 9 H THR 9 1.804 -0.526 7.749 68 HA THR 9 HA THR 9 2.812 -0.764 5.013 69 HB THR 9 HB THR 9 3.378 -2.287 7.520 70 HG1 THR 9 1HG THR 9 5.481 -1.546 7.198 71 HG21 THR 9 3HG2 THR 9 4.930 -3.705 6.232 72 HG22 THR 9 1HG2 THR 9 4.325 -2.972 4.747 73 HG23 THR 9 2HG2 THR 9 3.248 -3.942 5.753 74 H TYR 10 H TYR 10 2.044 -2.276 3.647 75 HA TYR 10 HA TYR 10 -0.246 -3.849 4.569 76 HB2 TYR 10 2HB TYR 10 0.186 -2.316 2.056 77 HB3 TYR 10 1HB TYR 10 -0.789 -3.786 1.994 78 HD1 TYR 10 2HD TYR 10 -2.592 -3.950 3.965 79 HD2 TYR 10 1HD TYR 10 -0.875 -0.364 2.479 80 HE1 TYR 10 2HE TYR 10 -4.539 -2.680 4.789 81 HE2 TYR 10 1HE TYR 10 -2.799 0.913 3.278 82 HH TYR 10 HH TYR 10 -5.156 0.537 3.847 83 H ASP 11 H ASP 11 -0.206 -5.865 4.425 84 HA ASP 11 HA ASP 11 2.082 -7.169 3.143 85 HB2 ASP 11 2HB ASP 11 -0.017 -8.180 5.082 86 HB3 ASP 11 1HB ASP 11 1.222 -9.198 4.363 87 H LEU 12 H LEU 12 1.785 -7.902 1.182 88 HA LEU 12 HA LEU 12 -0.904 -8.024 0.067 89 HB2 LEU 12 2HB LEU 12 1.753 -8.578 -1.268 90 HB3 LEU 12 1HB LEU 12 0.197 -8.540 -2.081 91 HG LEU 12 HG LEU 12 1.817 -6.264 -1.002 92 HD11 LEU 12 1HD1 LEU 12 1.378 -5.299 -3.163 93 HD12 LEU 12 2HD1 LEU 12 0.263 -6.605 -3.561 94 HD13 LEU 12 3HD1 LEU 12 1.982 -6.941 -3.376 95 HD21 LEU 12 3HD2 LEU 12 -0.091 -4.772 -1.189 96 HD22 LEU 12 1HD2 LEU 12 -0.386 -6.010 0.031 97 HD23 LEU 12 2HD2 LEU 12 -1.146 -6.140 -1.555 98 H GLN 13 H GLN 13 -1.804 -9.932 -0.894 99 HA GLN 13 HA GLN 13 -1.465 -12.151 0.810 100 HB2 GLN 13 2HB GLN 13 -3.496 -11.258 -0.635 101 HB3 GLN 13 1HB GLN 13 -2.892 -12.449 -1.779 102 HG2 GLN 13 2HG GLN 13 -3.206 -14.216 -0.255 103 HG3 GLN 13 1HG GLN 13 -3.480 -13.101 1.084 104 HE21 GLN 13 1HE2 GLN 13 -5.455 -12.000 1.208 105 HE22 GLN 13 2HE2 GLN 13 -6.862 -12.545 0.356 106 H ASP 14 H ASP 14 0.331 -11.241 -1.819 107 HA ASP 14 HA ASP 14 1.075 -13.952 -2.607 108 HB2 ASP 14 2HB ASP 14 0.787 -12.390 -4.436 109 HB3 ASP 14 1HB ASP 14 1.884 -11.240 -3.682 110 H GLY 15 H GLY 15 2.018 -11.414 -0.585 111 HA2 GLY 15 2HA GLY 15 3.665 -12.077 1.147 112 HA3 GLY 15 1HA GLY 15 4.663 -12.661 -0.169 113 H SER 16 H SER 16 3.560 -10.143 -1.618 114 HA SER 16 HA SER 16 5.872 -8.575 -1.274 115 HB2 SER 16 2HB SER 16 3.348 -7.456 -2.412 116 HB3 SER 16 1HB SER 16 5.005 -7.277 -2.986 117 HG SER 16 HG SER 16 4.942 -9.356 -3.794 118 H LYS 17 H LYS 17 6.073 -6.458 -0.385 119 HA LYS 17 HA LYS 17 4.008 -5.796 1.604 120 HB2 LYS 17 2HB LYS 17 6.915 -4.976 1.614 121 HB3 LYS 17 1HB LYS 17 5.727 -4.590 2.848 122 HG2 LYS 17 2HG LYS 17 5.498 -7.086 3.205 123 HG3 LYS 17 1HG LYS 17 6.959 -7.250 2.210 124 HD2 LYS 17 2HD LYS 17 7.844 -5.370 3.852 125 HD3 LYS 17 1HD LYS 17 6.624 -6.062 4.922 126 HE2 LYS 17 2HE LYS 17 8.716 -7.139 5.361 127 HE3 LYS 17 1HE LYS 17 7.659 -8.291 4.546 128 HZ1 LYS 17 3HZ LYS 17 9.987 -8.234 3.715 129 HZ2 LYS 17 1HZ LYS 17 9.698 -6.665 3.126 130 HZ3 LYS 17 2HZ LYS 17 8.810 -7.983 2.522 131 H VAL 18 H VAL 18 3.162 -3.800 1.665 132 HA VAL 18 HA VAL 18 4.309 -1.740 -0.110 133 HB VAL 18 HB VAL 18 1.374 -2.183 0.551 134 HG11 VAL 18 1HG1 VAL 18 2.685 -0.090 -1.186 135 HG12 VAL 18 2HG1 VAL 18 1.833 0.182 0.337 136 HG13 VAL 18 3HG1 VAL 18 0.949 -0.378 -1.083 137 HG21 VAL 18 3HG2 VAL 18 2.835 -2.537 -2.064 138 HG22 VAL 18 1HG2 VAL 18 1.095 -2.703 -1.821 139 HG23 VAL 18 2HG2 VAL 18 2.208 -3.826 -1.039 140 H HIS 19 H HIS 19 4.327 0.369 0.821 141 HA HIS 19 HA HIS 19 3.220 0.566 3.527 142 HB2 HIS 19 2HB HIS 19 5.851 1.888 3.023 143 HB3 HIS 19 1HB HIS 19 5.144 1.361 4.543 144 HD1 HIS 19 1HD HIS 19 5.546 -1.130 5.224 145 HD2 HIS 19 2HD HIS 19 7.318 0.050 1.692 146 HE1 HIS 19 1HE HIS 19 7.147 -2.981 4.638 147 HE2 HIS 19 2HE HIS 19 8.350 -2.175 2.569 148 H VAL 20 H VAL 20 2.063 2.318 3.760 149 HA VAL 20 HA VAL 20 2.360 4.467 1.803 150 HB VAL 20 HB VAL 20 0.362 4.274 4.074 151 HG11 VAL 20 1HG1 VAL 20 -0.848 6.005 2.845 152 HG12 VAL 20 2HG1 VAL 20 0.422 6.037 1.620 153 HG13 VAL 20 3HG1 VAL 20 0.774 6.549 3.271 154 HG21 VAL 20 3HG2 VAL 20 0.074 2.425 2.477 155 HG22 VAL 20 1HG2 VAL 20 -0.025 3.592 1.158 156 HG23 VAL 20 2HG2 VAL 20 -1.270 3.568 2.409 157 H PHE 21 H PHE 21 3.703 6.038 2.249 158 HA PHE 21 HA PHE 21 4.963 6.047 4.854 159 HB2 PHE 21 2HB PHE 21 5.596 7.333 2.209 160 HB3 PHE 21 1HB PHE 21 6.477 7.751 3.672 161 HD1 PHE 21 1HD PHE 21 5.779 5.014 1.252 162 HD2 PHE 21 2HD PHE 21 8.061 6.282 4.629 163 HE1 PHE 21 1HE PHE 21 7.295 3.112 0.950 164 HE2 PHE 21 2HE PHE 21 9.571 4.369 4.318 165 HZ PHE 21 HZ PHE 21 9.188 2.781 2.479 166 H LYS 22 H LYS 22 5.266 7.911 6.078 167 HA LYS 22 HA LYS 22 2.986 9.437 6.584 168 HB2 LYS 22 2HB LYS 22 4.467 10.723 8.084 169 HB3 LYS 22 1HB LYS 22 4.730 8.984 8.231 170 HG2 LYS 22 2HG LYS 22 6.712 9.062 7.009 171 HG3 LYS 22 1HG LYS 22 6.406 10.712 6.457 172 HD2 LYS 22 2HD LYS 22 6.570 11.452 8.846 173 HD3 LYS 22 1HD LYS 22 7.080 9.812 9.260 174 HE2 LYS 22 2HE LYS 22 9.007 10.020 7.787 175 HE3 LYS 22 1HE LYS 22 8.477 11.629 7.293 176 HZ1 LYS 22 3HZ LYS 22 10.225 11.722 8.956 177 HZ2 LYS 22 1HZ LYS 22 9.269 10.847 10.052 178 HZ3 LYS 22 2HZ LYS 22 8.792 12.398 9.553 179 H ASP 23 H ASP 23 5.364 9.851 4.209 180 HA ASP 23 HA ASP 23 5.137 12.707 3.947 181 HB2 ASP 23 2HB ASP 23 7.291 11.903 3.418 182 HB3 ASP 23 1HB ASP 23 6.655 10.535 2.513 183 H GLY 24 H GLY 24 3.395 9.990 3.053 184 HA2 GLY 24 2HA GLY 24 1.440 10.082 1.829 185 HA3 GLY 24 1HA GLY 24 2.052 11.491 0.997 186 H LYS 25 H LYS 25 4.607 9.425 0.840 187 HA LYS 25 HA LYS 25 3.744 8.404 -1.736 188 HB2 LYS 25 2HB LYS 25 6.406 8.588 -0.370 189 HB3 LYS 25 1HB LYS 25 6.173 7.636 -1.827 190 HG2 LYS 25 2HG LYS 25 5.276 9.735 -2.898 191 HG3 LYS 25 1HG LYS 25 5.881 10.589 -1.482 192 HD2 LYS 25 2HD LYS 25 7.518 8.871 -3.325 193 HD3 LYS 25 1HD LYS 25 7.493 10.635 -3.328 194 HE2 LYS 25 2HE LYS 25 8.262 8.994 -0.920 195 HE3 LYS 25 1HE LYS 25 9.435 9.553 -2.114 196 HZ1 LYS 25 3HZ LYS 25 8.862 11.818 -1.613 197 HZ2 LYS 25 1HZ LYS 25 9.250 11.024 -0.167 198 HZ3 LYS 25 2HZ LYS 25 7.628 11.333 -0.555 199 H MET 26 H MET 26 5.111 6.172 -2.056 200 HA MET 26 HA MET 26 4.407 4.330 0.086 201 HB2 MET 26 2HB MET 26 3.334 4.068 -2.730 202 HB3 MET 26 1HB MET 26 3.181 2.853 -1.470 203 HG2 MET 26 2HG MET 26 1.116 3.901 -1.489 204 HG3 MET 26 1HG MET 26 1.955 4.660 -0.141 205 HE1 MET 26 3HE MET 26 1.197 5.071 -4.003 206 HE2 MET 26 1HE MET 26 2.906 5.470 -3.827 207 HE3 MET 26 2HE MET 26 1.746 6.727 -4.258 208 H GLY 27 H GLY 27 5.471 2.366 -0.017 209 HA2 GLY 27 2HA GLY 27 7.480 2.083 -2.164 210 HA3 GLY 27 1HA GLY 27 7.894 1.823 -0.471 211 H MET 28 H MET 28 7.793 0.031 -2.942 212 HA MET 28 HA MET 28 5.992 -2.023 -1.850 213 HB2 MET 28 2HB MET 28 5.358 -1.017 -4.069 214 HB3 MET 28 1HB MET 28 6.833 -1.696 -4.734 215 HG2 MET 28 2HG MET 28 4.845 -3.460 -3.371 216 HG3 MET 28 1HG MET 28 4.585 -2.937 -5.034 217 HE1 MET 28 3HE MET 28 4.527 -5.411 -5.920 218 HE2 MET 28 1HE MET 28 4.713 -5.990 -4.265 219 HE3 MET 28 2HE MET 28 5.754 -6.620 -5.542 220 H GLU 29 H GLU 29 6.770 -3.986 -1.452 221 HA GLU 29 HA GLU 29 9.507 -4.684 -2.321 222 HB2 GLU 29 2HB GLU 29 8.113 -5.212 0.306 223 HB3 GLU 29 1HB GLU 29 9.507 -6.141 -0.217 224 HG2 GLU 29 2HG GLU 29 10.930 -4.309 -0.069 225 HG3 GLU 29 1HG GLU 29 9.593 -3.158 -0.002 226 H ASN 30 H ASN 30 9.774 -6.869 -2.940 227 HA ASN 30 HA ASN 30 7.319 -8.270 -3.613 228 HB2 ASN 30 2HB ASN 30 8.713 -9.792 -4.852 229 HB3 ASN 30 1HB ASN 30 9.276 -8.156 -5.183 230 HD21 ASN 30 1HD2 ASN 30 10.758 -10.497 -5.594 231 HD22 ASN 30 2HD2 ASN 30 12.138 -10.453 -4.540 232 H LYS 31 H LYS 31 7.082 -10.609 -3.019 233 HA LYS 31 HA LYS 31 7.216 -11.152 -0.329 234 HB2 LYS 31 2HB LYS 31 6.920 -13.550 -0.975 235 HB3 LYS 31 1HB LYS 31 5.780 -12.423 -1.694 236 HG2 LYS 31 2HG LYS 31 7.226 -12.425 -3.743 237 HG3 LYS 31 1HG LYS 31 8.129 -13.754 -3.010 238 HD2 LYS 31 2HD LYS 31 6.237 -15.167 -3.016 239 HD3 LYS 31 1HD LYS 31 5.146 -13.822 -3.357 240 HE2 LYS 31 2HE LYS 31 6.326 -13.555 -5.555 241 HE3 LYS 31 1HE LYS 31 7.171 -15.065 -5.209 242 HZ1 LYS 31 3HZ LYS 31 5.091 -16.223 -5.145 243 HZ2 LYS 31 1HZ LYS 31 5.185 -15.364 -6.604 244 HZ3 LYS 31 2HZ LYS 31 4.217 -14.781 -5.337 245 H PHE 32 H PHE 32 9.981 -10.722 -1.963 246 HA PHE 32 HA PHE 32 11.402 -12.727 -0.356 247 HB2 PHE 32 2HB PHE 32 12.318 -11.391 -2.913 248 HB3 PHE 32 1HB PHE 32 13.259 -12.540 -1.966 249 HD1 PHE 32 1HD PHE 32 11.739 -14.751 -1.381 250 HD2 PHE 32 2HD PHE 32 11.400 -12.268 -4.817 251 HE1 PHE 32 1HE PHE 32 10.712 -16.609 -2.617 252 HE2 PHE 32 2HE PHE 32 10.372 -14.120 -6.059 253 HZ PHE 32 HZ PHE 32 10.026 -16.302 -4.962 254 H GLY 33 H GLY 33 10.469 -9.637 -0.290 255 HA2 GLY 33 2HA GLY 33 11.001 -8.128 1.350 256 HA3 GLY 33 1HA GLY 33 12.371 -9.128 1.776 257 H LYS 34 H LYS 34 12.056 -8.070 -1.511 258 HA LYS 34 HA LYS 34 14.084 -6.011 -0.959 259 HB2 LYS 34 2HB LYS 34 15.108 -6.420 -3.091 260 HB3 LYS 34 1HB LYS 34 14.977 -7.942 -2.228 261 HG2 LYS 34 2HG LYS 34 14.200 -8.726 -4.161 262 HG3 LYS 34 1HG LYS 34 12.687 -7.956 -3.681 263 HD2 LYS 34 2HD LYS 34 13.403 -5.910 -4.882 264 HD3 LYS 34 1HD LYS 34 14.828 -6.785 -5.451 265 HE2 LYS 34 2HE LYS 34 13.233 -8.493 -6.417 266 HE3 LYS 34 1HE LYS 34 11.936 -7.350 -6.071 267 HZ1 LYS 34 3HZ LYS 34 12.572 -7.027 -8.307 268 HZ2 LYS 34 1HZ LYS 34 14.225 -6.989 -7.924 269 HZ3 LYS 34 2HZ LYS 34 13.215 -5.711 -7.452 270 H SER 35 H SER 35 14.007 -4.106 -2.124 271 HA SER 35 HA SER 35 11.271 -3.241 -2.392 272 HB2 SER 35 2HB SER 35 12.919 -1.917 -1.127 273 HB3 SER 35 1HB SER 35 13.832 -1.647 -2.610 274 HG SER 35 HG SER 35 11.146 -0.989 -2.716 275 H MET 36 H MET 36 10.254 -2.454 -4.156 276 HA MET 36 HA MET 36 11.659 -2.022 -6.643 277 HB2 MET 36 2HB MET 36 9.909 -3.531 -7.827 278 HB3 MET 36 1HB MET 36 11.314 -4.284 -7.088 279 HG2 MET 36 2HG MET 36 10.016 -4.942 -5.176 280 HG3 MET 36 1HG MET 36 8.614 -4.066 -5.785 281 HE1 MET 36 3HE MET 36 7.414 -6.144 -8.772 282 HE2 MET 36 1HE MET 36 8.411 -4.689 -8.790 283 HE3 MET 36 2HE MET 36 7.075 -4.828 -7.648 284 H ASN 37 H ASN 37 9.721 -1.611 -8.390 285 HA ASN 37 HA ASN 37 8.159 0.518 -7.104 286 HB2 ASN 37 2HB ASN 37 8.910 0.104 -10.008 287 HB3 ASN 37 1HB ASN 37 7.949 1.449 -9.403 288 HD21 ASN 37 1HD2 ASN 37 11.104 0.028 -9.582 289 HD22 ASN 37 2HD2 ASN 37 11.985 1.402 -9.001 290 H MET 38 H MET 38 5.974 0.851 -7.639 291 HA MET 38 HA MET 38 4.589 -1.647 -8.327 292 HB2 MET 38 2HB MET 38 4.076 -0.604 -6.138 293 HB3 MET 38 1HB MET 38 3.541 0.844 -6.970 294 HG2 MET 38 2HG MET 38 1.761 -0.443 -8.053 295 HG3 MET 38 1HG MET 38 2.284 -1.881 -7.176 296 HE1 MET 38 3HE MET 38 1.640 -0.728 -3.448 297 HE2 MET 38 1HE MET 38 3.118 -0.530 -4.387 298 HE3 MET 38 2HE MET 38 2.217 -2.045 -4.471 299 HA PRO 39 HA PRO 39 3.412 0.313 -12.159 300 HB2 PRO 39 2HB PRO 39 1.978 -1.733 -13.161 301 HB3 PRO 39 1HB PRO 39 3.744 -1.777 -13.083 302 HG2 PRO 39 2HG PRO 39 1.732 -3.024 -11.246 303 HG3 PRO 39 1HG PRO 39 3.229 -3.719 -11.899 304 HD2 PRO 39 2HD PRO 39 3.022 -2.666 -9.387 305 HD3 PRO 39 1HD PRO 39 4.535 -2.694 -10.312 306 H GLU 40 H GLU 40 1.645 1.459 -12.843 307 HA GLU 40 HA GLU 40 -0.566 1.668 -11.008 308 HB2 GLU 40 2HB GLU 40 0.485 3.652 -12.111 309 HB3 GLU 40 1HB GLU 40 -0.155 3.091 -13.649 310 HG2 GLU 40 2HG GLU 40 -2.438 3.260 -12.709 311 HG3 GLU 40 1HG GLU 40 -1.745 3.941 -11.240 312 H GLY 41 H GLY 41 -2.784 1.434 -11.572 313 HA2 GLY 41 2HA GLY 41 -4.547 0.863 -13.033 314 HA3 GLY 41 1HA GLY 41 -3.389 0.069 -14.081 315 H LYS 42 H LYS 42 -2.285 -1.214 -11.460 316 HA LYS 42 HA LYS 42 -4.098 -3.495 -11.684 317 HB2 LYS 42 2HB LYS 42 -1.288 -3.282 -10.611 318 HB3 LYS 42 1HB LYS 42 -2.242 -4.756 -10.595 319 HG2 LYS 42 2HG LYS 42 -2.399 -4.574 -13.087 320 HG3 LYS 42 1HG LYS 42 -1.222 -3.264 -12.992 321 HD2 LYS 42 2HD LYS 42 -0.147 -5.417 -13.489 322 HD3 LYS 42 1HD LYS 42 0.387 -4.761 -11.938 323 HE2 LYS 42 2HE LYS 42 -1.152 -6.235 -10.764 324 HE3 LYS 42 1HE LYS 42 -1.757 -6.849 -12.301 325 HZ1 LYS 42 3HZ LYS 42 0.357 -7.827 -12.762 326 HZ2 LYS 42 1HZ LYS 42 -0.123 -8.318 -11.210 327 HZ3 LYS 42 2HZ LYS 42 1.058 -7.114 -11.395 328 H VAL 43 H VAL 43 -5.439 -4.011 -10.088 329 HA VAL 43 HA VAL 43 -5.080 -2.752 -7.490 330 HB VAL 43 HB VAL 43 -7.338 -2.729 -8.375 331 HG11 VAL 43 1HG1 VAL 43 -7.239 -4.699 -9.797 332 HG12 VAL 43 2HG1 VAL 43 -8.629 -4.773 -8.716 333 HG13 VAL 43 3HG1 VAL 43 -7.194 -5.740 -8.373 334 HG21 VAL 43 3HG2 VAL 43 -7.116 -2.860 -5.968 335 HG22 VAL 43 1HG2 VAL 43 -7.081 -4.621 -6.044 336 HG23 VAL 43 2HG2 VAL 43 -8.545 -3.748 -6.497 337 H MET 44 H MET 44 -4.136 -3.726 -5.839 338 HA MET 44 HA MET 44 -3.605 -6.616 -6.040 339 HB2 MET 44 2HB MET 44 -2.041 -4.372 -4.796 340 HB3 MET 44 1HB MET 44 -1.819 -6.025 -4.247 341 HG2 MET 44 2HG MET 44 -0.125 -5.596 -5.818 342 HG3 MET 44 1HG MET 44 -1.296 -6.641 -6.615 343 HE1 MET 44 3HE MET 44 -1.721 -2.814 -5.906 344 HE2 MET 44 1HE MET 44 -1.066 -2.096 -7.376 345 HE3 MET 44 2HE MET 44 0.005 -2.933 -6.252 346 H GLU 45 H GLU 45 -3.884 -7.918 -4.213 347 HA GLU 45 HA GLU 45 -5.528 -6.669 -2.130 348 HB2 GLU 45 2HB GLU 45 -5.539 -9.433 -3.265 349 HB3 GLU 45 1HB GLU 45 -6.152 -9.142 -1.641 350 HG2 GLU 45 2HG GLU 45 -7.650 -7.406 -2.612 351 HG3 GLU 45 1HG GLU 45 -7.148 -7.952 -4.214 352 H THR 46 H THR 46 -5.392 -7.505 -0.042 353 HA THR 46 HA THR 46 -2.594 -8.009 0.727 354 HB THR 46 HB THR 46 -3.104 -7.032 2.895 355 HG1 THR 46 1HG THR 46 -5.213 -5.994 3.131 356 HG21 THR 46 3HG2 THR 46 -2.380 -5.527 1.109 357 HG22 THR 46 1HG2 THR 46 -3.493 -4.716 2.211 358 HG23 THR 46 2HG2 THR 46 -4.058 -5.275 0.635 359 H ARG 47 H ARG 47 -2.266 -9.300 2.697 360 HA ARG 47 HA ARG 47 -3.358 -11.809 2.738 361 HB2 ARG 47 2HB ARG 47 -2.173 -10.120 4.917 362 HB3 ARG 47 1HB ARG 47 -2.652 -11.786 5.193 363 HG2 ARG 47 2HG ARG 47 -1.059 -12.571 3.590 364 HG3 ARG 47 1HG ARG 47 -0.694 -10.921 3.076 365 HD2 ARG 47 2HD ARG 47 1.013 -11.851 4.590 366 HD3 ARG 47 1HD ARG 47 0.233 -10.411 5.238 367 HE ARG 47 HE ARG 47 -0.806 -13.014 6.066 368 HH11 ARG 47 1HH1 ARG 47 1.122 -10.181 6.853 369 HH12 ARG 47 2HH1 ARG 47 1.015 -10.437 8.572 370 HH21 ARG 47 1HH2 ARG 47 -0.916 -13.359 8.308 371 HH22 ARG 47 2HH2 ARG 47 -0.126 -12.256 9.396 372 H ASP 48 H ASP 48 -4.716 -8.895 3.963 373 HA ASP 48 HA ASP 48 -6.486 -10.283 5.806 374 HB2 ASP 48 2HB ASP 48 -5.355 -8.369 6.687 375 HB3 ASP 48 1HB ASP 48 -5.881 -7.366 5.337 376 H GLY 49 H GLY 49 -6.507 -8.833 2.656 377 HA2 GLY 49 2HA GLY 49 -8.324 -9.422 1.202 378 HA3 GLY 49 1HA GLY 49 -9.408 -9.286 2.578 379 H THR 50 H THR 50 -6.910 -6.908 2.059 380 HA THR 50 HA THR 50 -8.967 -4.932 1.402 381 HB THR 50 HB THR 50 -6.086 -4.502 2.238 382 HG1 THR 50 1HG THR 50 -7.891 -5.492 3.746 383 HG21 THR 50 3HG2 THR 50 -8.439 -2.599 2.211 384 HG22 THR 50 1HG2 THR 50 -7.108 -2.597 1.055 385 HG23 THR 50 2HG2 THR 50 -6.803 -2.223 2.749 386 H LYS 51 H LYS 51 -8.737 -3.610 -0.431 387 HA LYS 51 HA LYS 51 -6.849 -4.650 -2.441 388 HB2 LYS 51 2HB LYS 51 -9.531 -3.291 -2.775 389 HB3 LYS 51 1HB LYS 51 -8.457 -3.694 -4.108 390 HG2 LYS 51 2HG LYS 51 -8.683 -6.037 -3.667 391 HG3 LYS 51 1HG LYS 51 -9.579 -5.716 -2.182 392 HD2 LYS 51 2HD LYS 51 -11.413 -4.778 -3.438 393 HD3 LYS 51 1HD LYS 51 -10.505 -4.927 -4.943 394 HE2 LYS 51 2HE LYS 51 -12.207 -6.701 -4.640 395 HE3 LYS 51 1HE LYS 51 -10.570 -7.328 -4.810 396 HZ1 LYS 51 3HZ LYS 51 -11.719 -6.862 -2.129 397 HZ2 LYS 51 1HZ LYS 51 -10.476 -7.928 -2.589 398 HZ3 LYS 51 2HZ LYS 51 -12.089 -8.275 -2.985 399 H ILE 52 H ILE 52 -5.353 -3.301 -3.271 400 HA ILE 52 HA ILE 52 -5.685 -0.407 -2.864 401 HB ILE 52 HB ILE 52 -3.294 -0.216 -2.223 402 HG12 ILE 52 2HG1 ILE 52 -3.440 -3.225 -1.908 403 HG13 ILE 52 1HG1 ILE 52 -2.556 -2.384 -3.177 404 HG21 ILE 52 1HG2 ILE 52 -5.061 -0.175 -0.532 405 HG22 ILE 52 2HG2 ILE 52 -3.583 -0.898 0.096 406 HG23 ILE 52 3HG2 ILE 52 -4.942 -1.927 -0.363 407 HD11 ILE 52 3HD1 ILE 52 -1.137 -1.343 -1.469 408 HD12 ILE 52 1HD1 ILE 52 -1.052 -3.103 -1.435 409 HD13 ILE 52 2HD1 ILE 52 -1.999 -2.243 -0.224 410 H ILE 53 H ILE 53 -4.306 0.903 -4.196 411 HA ILE 53 HA ILE 53 -2.697 -0.289 -6.242 412 HB ILE 53 HB ILE 53 -4.476 -0.684 -7.642 413 HG12 ILE 53 2HG1 ILE 53 -4.728 1.252 -9.280 414 HG13 ILE 53 1HG1 ILE 53 -3.650 2.155 -8.219 415 HG21 ILE 53 1HG2 ILE 53 -6.239 0.155 -6.241 416 HG22 ILE 53 2HG2 ILE 53 -6.462 0.702 -7.904 417 HG23 ILE 53 3HG2 ILE 53 -5.838 1.815 -6.685 418 HD11 ILE 53 3HD1 ILE 53 -3.095 -0.269 -9.846 419 HD12 ILE 53 1HD1 ILE 53 -2.063 0.195 -8.498 420 HD13 ILE 53 2HD1 ILE 53 -2.276 1.298 -9.857 421 H MET 54 H MET 54 -1.342 1.175 -7.250 422 HA MET 54 HA MET 54 -1.187 3.824 -5.954 423 HB2 MET 54 2HB MET 54 0.801 2.305 -5.781 424 HB3 MET 54 1HB MET 54 0.912 2.285 -7.529 425 HG2 MET 54 2HG MET 54 1.088 4.834 -5.968 426 HG3 MET 54 1HG MET 54 2.491 3.807 -6.241 427 HE1 MET 54 3HE MET 54 3.852 5.681 -7.403 428 HE2 MET 54 1HE MET 54 2.543 6.824 -7.108 429 HE3 MET 54 2HE MET 54 3.250 6.687 -8.719 430 H LYS 55 H LYS 55 -2.236 5.270 -7.128 431 HA LYS 55 HA LYS 55 -1.916 5.259 -10.036 432 HB2 LYS 55 2HB LYS 55 -3.964 4.002 -9.503 433 HB3 LYS 55 1HB LYS 55 -4.573 5.391 -8.612 434 HG2 LYS 55 2HG LYS 55 -4.898 6.643 -10.544 435 HG3 LYS 55 1HG LYS 55 -3.830 5.608 -11.502 436 HD2 LYS 55 2HD LYS 55 -5.406 3.808 -11.420 437 HD3 LYS 55 1HD LYS 55 -6.427 4.695 -10.294 438 HE2 LYS 55 2HE LYS 55 -6.986 6.309 -11.975 439 HE3 LYS 55 1HE LYS 55 -5.802 5.625 -13.088 440 HZ1 LYS 55 3HZ LYS 55 -8.132 4.104 -12.055 441 HZ2 LYS 55 1HZ LYS 55 -7.086 3.665 -13.316 442 HZ3 LYS 55 2HZ LYS 55 -8.159 4.966 -13.516 443 H GLY 56 H GLY 56 -1.796 7.218 -10.923 444 HA2 GLY 56 2HA GLY 56 -1.721 9.509 -11.099 445 HA3 GLY 56 1HA GLY 56 -2.914 9.579 -9.812 446 H ASN 57 H ASN 57 0.256 8.095 -9.524 447 HA ASN 57 HA ASN 57 2.080 8.546 -8.250 448 HB2 ASN 57 2HB ASN 57 1.075 11.376 -8.548 449 HB3 ASN 57 1HB ASN 57 2.531 10.986 -7.642 450 HD21 ASN 57 1HD2 ASN 57 1.588 9.217 -10.501 451 HD22 ASN 57 2HD2 ASN 57 2.857 9.809 -11.520 452 H GLU 58 H GLU 58 -0.656 8.071 -7.155 453 HA GLU 58 HA GLU 58 -0.028 8.657 -4.342 454 HB2 GLU 58 2HB GLU 58 -2.765 8.900 -5.599 455 HB3 GLU 58 1HB GLU 58 -2.402 9.084 -3.890 456 HG2 GLU 58 2HG GLU 58 -0.951 11.031 -4.492 457 HG3 GLU 58 1HG GLU 58 -1.564 10.896 -6.140 458 H ILE 59 H ILE 59 -2.239 7.415 -3.244 459 HA ILE 59 HA ILE 59 -2.230 4.792 -4.471 460 HB ILE 59 HB ILE 59 -0.604 5.193 -2.319 461 HG12 ILE 59 2HG1 ILE 59 -2.033 2.738 -3.326 462 HG13 ILE 59 1HG1 ILE 59 -0.453 3.347 -3.805 463 HG21 ILE 59 1HG2 ILE 59 -1.597 4.025 -0.406 464 HG22 ILE 59 2HG2 ILE 59 -3.153 3.987 -1.237 465 HG23 ILE 59 3HG2 ILE 59 -2.449 5.532 -0.756 466 HD11 ILE 59 3HD1 ILE 59 0.428 2.794 -1.597 467 HD12 ILE 59 1HD1 ILE 59 -0.254 1.379 -2.400 468 HD13 ILE 59 2HD1 ILE 59 -1.158 2.188 -1.119 469 H PHE 60 H PHE 60 -4.100 3.977 -4.626 470 HA PHE 60 HA PHE 60 -6.394 4.937 -3.164 471 HB2 PHE 60 2HB PHE 60 -7.060 4.364 -5.268 472 HB3 PHE 60 1HB PHE 60 -5.751 3.228 -5.485 473 HD1 PHE 60 1HD PHE 60 -6.105 1.001 -3.967 474 HD2 PHE 60 2HD PHE 60 -9.173 3.546 -5.426 475 HE1 PHE 60 1HE PHE 60 -7.757 -0.795 -3.650 476 HE2 PHE 60 2HE PHE 60 -10.815 1.766 -5.124 477 HZ PHE 60 HZ PHE 60 -9.942 -0.586 -4.747 478 H ARG 61 H ARG 61 -6.498 4.394 -1.139 479 HA ARG 61 HA ARG 61 -6.052 1.573 -0.448 480 HB2 ARG 61 2HB ARG 61 -4.510 3.249 0.717 481 HB3 ARG 61 1HB ARG 61 -5.944 3.893 1.505 482 HG2 ARG 61 2HG ARG 61 -6.127 1.187 1.976 483 HG3 ARG 61 1HG ARG 61 -4.397 1.509 2.099 484 HD2 ARG 61 2HD ARG 61 -6.588 2.941 3.596 485 HD3 ARG 61 1HD ARG 61 -5.501 1.725 4.260 486 HE ARG 61 HE ARG 61 -4.332 4.173 3.142 487 HH11 ARG 61 1HH1 ARG 61 -5.107 2.177 5.912 488 HH12 ARG 61 2HH1 ARG 61 -4.114 3.082 7.010 489 HH21 ARG 61 1HH2 ARG 61 -3.028 5.382 4.595 490 HH22 ARG 61 2HH2 ARG 61 -2.949 4.919 6.271 491 H LEU 62 H LEU 62 -7.955 0.640 -0.178 492 HA LEU 62 HA LEU 62 -10.271 0.400 -0.283 493 HB2 LEU 62 2HB LEU 62 -9.830 2.496 1.775 494 HB3 LEU 62 1HB LEU 62 -11.460 2.292 1.174 495 HG LEU 62 HG LEU 62 -11.107 1.086 3.231 496 HD11 LEU 62 1HD1 LEU 62 -12.720 0.224 1.642 497 HD12 LEU 62 2HD1 LEU 62 -11.909 -1.122 2.448 498 HD13 LEU 62 3HD1 LEU 62 -11.453 -0.669 0.804 499 HD21 LEU 62 3HD2 LEU 62 -8.730 0.630 3.044 500 HD22 LEU 62 1HD2 LEU 62 -9.031 -0.477 1.704 501 HD23 LEU 62 2HD2 LEU 62 -9.629 -0.863 3.318 502 H ASP 63 H ASP 63 -9.042 3.610 -0.788 503 HA ASP 63 HA ASP 63 -9.500 5.246 -2.275 504 HB2 ASP 63 2HB ASP 63 -10.279 3.826 -4.006 505 HB3 ASP 63 1HB ASP 63 -11.755 3.466 -3.126 506 H GLU 64 H GLU 64 -12.132 3.904 -0.444 507 HA GLU 64 HA GLU 64 -13.183 6.586 0.012 508 HB2 GLU 64 2HB GLU 64 -14.699 4.643 -0.555 509 HB3 GLU 64 1HB GLU 64 -14.340 3.998 1.043 510 HG2 GLU 64 2HG GLU 64 -15.348 5.856 2.116 511 HG3 GLU 64 1HG GLU 64 -15.462 6.750 0.601 512 H ALA 65 H ALA 65 -10.982 4.482 1.461 513 HA ALA 65 HA ALA 65 -11.414 5.006 4.205 514 HB1 ALA 65 1HB ALA 65 -9.823 3.294 3.302 515 HB2 ALA 65 2HB ALA 65 -9.141 4.317 4.572 516 HB3 ALA 65 3HB ALA 65 -8.723 4.611 2.884 517 H LEU 66 H LEU 66 -9.620 6.672 1.710 518 HA LEU 66 HA LEU 66 -8.879 8.867 3.442 519 HB2 LEU 66 2HB LEU 66 -8.625 8.641 0.447 520 HB3 LEU 66 1HB LEU 66 -7.790 9.776 1.492 521 HG LEU 66 HG LEU 66 -7.105 7.297 2.521 522 HD11 LEU 66 1HD1 LEU 66 -7.041 7.206 -0.491 523 HD12 LEU 66 2HD1 LEU 66 -7.996 6.167 0.569 524 HD13 LEU 66 3HD1 LEU 66 -6.233 6.064 0.585 525 HD21 LEU 66 3HD2 LEU 66 -5.692 9.257 2.344 526 HD22 LEU 66 1HD2 LEU 66 -5.606 9.050 0.594 527 HD23 LEU 66 2HD2 LEU 66 -4.895 7.839 1.661 528 H ARG 67 H ARG 67 -11.381 8.025 1.254 529 HA ARG 67 HA ARG 67 -12.314 10.600 0.568 530 HB2 ARG 67 2HB ARG 67 -12.886 8.505 -0.644 531 HB3 ARG 67 1HB ARG 67 -13.892 8.028 0.711 532 HG2 ARG 67 2HG ARG 67 -15.233 10.073 0.349 533 HG3 ARG 67 1HG ARG 67 -14.279 10.390 -1.098 534 HD2 ARG 67 2HD ARG 67 -14.991 8.222 -2.016 535 HD3 ARG 67 1HD ARG 67 -15.985 7.957 -0.582 536 HE ARG 67 HE ARG 67 -16.483 10.384 -2.115 537 HH11 ARG 67 1HH1 ARG 67 -17.471 7.099 -1.347 538 HH12 ARG 67 2HH1 ARG 67 -19.087 7.326 -1.942 539 HH21 ARG 67 1HH2 ARG 67 -18.591 10.659 -2.907 540 HH22 ARG 67 2HH2 ARG 67 -19.716 9.335 -2.853 541 H LYS 68 H LYS 68 -13.747 8.230 2.854 542 HA LYS 68 HA LYS 68 -15.282 10.369 4.078 543 HB2 LYS 68 2HB LYS 68 -15.110 7.463 4.907 544 HB3 LYS 68 1HB LYS 68 -16.285 8.642 5.474 545 HG2 LYS 68 2HG LYS 68 -16.830 8.827 2.902 546 HG3 LYS 68 1HG LYS 68 -16.127 7.209 2.878 547 HD2 LYS 68 2HD LYS 68 -18.479 8.148 4.517 548 HD3 LYS 68 1HD LYS 68 -18.513 7.034 3.153 549 HE2 LYS 68 2HE LYS 68 -17.163 6.537 5.805 550 HE3 LYS 68 1HE LYS 68 -18.714 5.870 5.300 551 HZ1 LYS 68 3HZ LYS 68 -17.192 4.187 4.883 552 HZ2 LYS 68 1HZ LYS 68 -16.015 5.242 4.272 553 HZ3 LYS 68 2HZ LYS 68 -17.400 4.896 3.358 554 H GLY 69 H GLY 69 -15.266 10.615 6.471 555 HA2 GLY 69 2HA GLY 69 -13.953 10.440 8.519 556 HA3 GLY 69 1HA GLY 69 -12.512 10.316 7.512 557 H HIS 70 H HIS 70 -14.797 12.477 6.335 558 HA HIS 70 HA HIS 70 -14.211 14.799 7.792 559 HB2 HIS 70 2HB HIS 70 -12.848 16.018 6.066 560 HB3 HIS 70 1HB HIS 70 -11.979 14.761 6.928 561 HD1 HIS 70 1HD HIS 70 -13.049 15.807 3.535 562 HD2 HIS 70 2HD HIS 70 -11.311 12.490 5.356 563 HE1 HIS 70 1HE HIS 70 -12.094 14.422 1.662 564 HE2 HIS 70 2HE HIS 70 -11.188 12.349 2.778 565 H SER 71 H SER 71 -14.881 13.616 4.504 566 HA SER 71 HA SER 71 -17.072 15.547 4.349 567 HB2 SER 71 2HB SER 71 -17.120 14.569 1.905 568 HB3 SER 71 1HB SER 71 -15.896 15.755 2.362 569 HG SER 71 HG SER 71 -14.776 14.147 1.400 570 H GLU 72 H GLU 72 -18.310 14.369 5.896 571 HA GLU 72 HA GLU 72 -19.002 11.615 5.375 572 HB2 GLU 72 2HB GLU 72 -20.241 13.432 7.442 573 HB3 GLU 72 1HB GLU 72 -20.121 11.677 7.474 574 HG2 GLU 72 2HG GLU 72 -17.832 13.615 7.730 575 HG3 GLU 72 1HG GLU 72 -18.572 12.694 9.038 576 H GLY 73 H GLY 73 -20.524 14.774 5.261 577 HA2 GLY 73 2HA GLY 73 -22.558 13.670 3.459 578 HA3 GLY 73 1HA GLY 73 -23.087 14.597 4.859 579 H GLY 74 H GLY 74 -23.921 15.616 2.591 580 HA2 GLY 74 2HA GLY 74 -22.692 18.162 2.482 581 HA3 GLY 74 1HA GLY 74 -22.207 17.208 1.087 Start of MODEL 5 1 H1 VAL 1 1HT VAL 1 11.821 -3.506 3.841 2 H2 VAL 1 2HT VAL 1 11.489 -3.345 5.498 3 H3 VAL 1 3HT VAL 1 13.087 -3.259 4.939 4 HA VAL 1 HA VAL 1 12.698 -1.218 3.826 5 HB VAL 1 HB VAL 1 10.268 -1.915 3.287 6 HG11 VAL 1 2HG1 VAL 1 8.529 -1.034 4.729 7 HG12 VAL 1 3HG1 VAL 1 9.743 -0.497 5.893 8 HG13 VAL 1 1HG1 VAL 1 9.514 -2.220 5.585 9 HG21 VAL 1 1HG2 VAL 1 11.256 0.189 2.541 10 HG22 VAL 1 2HG2 VAL 1 10.807 0.949 4.068 11 HG23 VAL 1 3HG2 VAL 1 9.554 0.390 2.955 12 H ASP 2 H ASP 2 12.447 0.922 4.988 13 HA ASP 2 HA ASP 2 13.104 0.663 7.777 14 HB2 ASP 2 2HB ASP 2 14.176 2.420 6.459 15 HB3 ASP 2 1HB ASP 2 12.606 3.131 6.094 16 H MET 3 H MET 3 11.808 1.039 9.515 17 HA MET 3 HA MET 3 8.949 1.116 8.886 18 HB2 MET 3 2HB MET 3 10.305 0.248 11.434 19 HB3 MET 3 1HB MET 3 8.625 0.007 10.995 20 HG2 MET 3 2HG MET 3 11.017 -1.241 9.672 21 HG3 MET 3 1HG MET 3 9.872 -2.044 10.737 22 HE1 MET 3 3HE MET 3 6.601 -1.999 8.544 23 HE2 MET 3 1HE MET 3 7.102 -0.799 9.737 24 HE3 MET 3 2HE MET 3 7.316 -2.516 10.072 25 H SER 4 H SER 4 11.035 3.437 9.589 26 HA SER 4 HA SER 4 9.546 4.556 11.845 27 HB2 SER 4 2HB SER 4 11.292 6.227 12.025 28 HB3 SER 4 1HB SER 4 12.024 4.626 11.947 29 HG SER 4 HG SER 4 12.287 5.071 9.621 30 H ASN 5 H ASN 5 9.960 4.920 8.435 31 HA ASN 5 HA ASN 5 8.537 7.480 8.502 32 HB2 ASN 5 2HB ASN 5 9.134 7.610 6.077 33 HB3 ASN 5 1HB ASN 5 10.496 7.634 7.183 34 HD21 ASN 5 1HD2 ASN 5 8.882 4.621 6.541 35 HD22 ASN 5 2HD2 ASN 5 10.142 3.932 5.585 36 H VAL 6 H VAL 6 7.506 4.570 8.683 37 HA VAL 6 HA VAL 6 5.579 4.830 6.473 38 HB VAL 6 HB VAL 6 6.974 2.810 6.389 39 HG11 VAL 6 1HG1 VAL 6 6.657 0.994 7.976 40 HG12 VAL 6 2HG1 VAL 6 5.595 2.016 8.945 41 HG13 VAL 6 3HG1 VAL 6 7.301 2.430 8.774 42 HG21 VAL 6 3HG2 VAL 6 5.158 1.225 6.020 43 HG22 VAL 6 1HG2 VAL 6 4.763 2.826 5.388 44 HG23 VAL 6 2HG2 VAL 6 4.059 2.280 6.910 45 H VAL 7 H VAL 7 3.497 5.128 6.874 46 HA VAL 7 HA VAL 7 2.618 5.084 9.669 47 HB VAL 7 HB VAL 7 0.554 6.244 8.837 48 HG11 VAL 7 1HG1 VAL 7 2.359 7.497 9.845 49 HG12 VAL 7 2HG1 VAL 7 1.666 8.415 8.506 50 HG13 VAL 7 3HG1 VAL 7 3.203 7.573 8.300 51 HG21 VAL 7 3HG2 VAL 7 2.116 6.503 6.269 52 HG22 VAL 7 1HG2 VAL 7 0.560 7.253 6.633 53 HG23 VAL 7 2HG2 VAL 7 0.675 5.499 6.489 54 H LYS 8 H LYS 8 2.223 3.335 6.722 55 HA LYS 8 HA LYS 8 0.739 1.315 8.115 56 HB2 LYS 8 2HB LYS 8 -1.084 2.851 7.442 57 HB3 LYS 8 1HB LYS 8 -0.593 2.669 5.761 58 HG2 LYS 8 2HG LYS 8 -2.497 1.258 6.226 59 HG3 LYS 8 1HG LYS 8 -1.073 0.261 5.903 60 HD2 LYS 8 2HD LYS 8 -0.732 0.066 8.362 61 HD3 LYS 8 1HD LYS 8 -2.257 0.918 8.599 62 HE2 LYS 8 2HE LYS 8 -3.455 -0.844 7.450 63 HE3 LYS 8 1HE LYS 8 -1.939 -1.673 7.087 64 HZ1 LYS 8 3HZ LYS 8 -1.581 -1.882 9.507 65 HZ2 LYS 8 1HZ LYS 8 -2.958 -2.710 8.967 66 HZ3 LYS 8 2HZ LYS 8 -3.125 -1.229 9.775 67 H THR 9 H THR 9 1.032 -0.637 7.271 68 HA THR 9 HA THR 9 2.321 -0.830 4.639 69 HB THR 9 HB THR 9 3.025 -2.183 7.216 70 HG1 THR 9 1HG THR 9 4.359 -0.553 6.936 71 HG21 THR 9 3HG2 THR 9 2.781 -3.993 5.571 72 HG22 THR 9 1HG2 THR 9 4.468 -3.743 6.017 73 HG23 THR 9 2HG2 THR 9 3.863 -3.131 4.477 74 H TYR 10 H TYR 10 1.665 -2.446 3.321 75 HA TYR 10 HA TYR 10 -0.574 -4.106 4.239 76 HB2 TYR 10 2HB TYR 10 -0.280 -2.501 1.738 77 HB3 TYR 10 1HB TYR 10 -1.286 -3.952 1.751 78 HD1 TYR 10 2HD TYR 10 -2.938 -4.122 3.733 79 HD2 TYR 10 1HD TYR 10 -1.258 -0.484 2.338 80 HE1 TYR 10 2HE TYR 10 -4.760 -2.902 4.795 81 HE2 TYR 10 1HE TYR 10 -3.083 0.777 3.405 82 HH TYR 10 HH TYR 10 -5.272 -0.687 5.631 83 H ASP 11 H ASP 11 -0.587 -6.092 3.857 84 HA ASP 11 HA ASP 11 1.728 -7.221 2.460 85 HB2 ASP 11 2HB ASP 11 1.254 -7.911 4.855 86 HB3 ASP 11 1HB ASP 11 -0.182 -8.728 4.241 87 H LEU 12 H LEU 12 1.507 -8.237 0.694 88 HA LEU 12 HA LEU 12 -0.972 -7.984 -0.718 89 HB2 LEU 12 2HB LEU 12 1.822 -8.760 -1.464 90 HB3 LEU 12 1HB LEU 12 0.496 -9.038 -2.586 91 HG LEU 12 HG LEU 12 -0.076 -6.659 -2.504 92 HD11 LEU 12 1HD1 LEU 12 1.341 -5.027 -1.492 93 HD12 LEU 12 2HD1 LEU 12 2.398 -6.296 -0.875 94 HD13 LEU 12 3HD1 LEU 12 0.743 -6.157 -0.276 95 HD21 LEU 12 3HD2 LEU 12 1.622 -7.688 -4.123 96 HD22 LEU 12 1HD2 LEU 12 2.818 -6.813 -3.170 97 HD23 LEU 12 2HD2 LEU 12 1.539 -5.931 -3.996 98 H GLN 13 H GLN 13 0.293 -10.445 1.147 99 HA GLN 13 HA GLN 13 -0.946 -12.280 1.827 100 HB2 GLN 13 2HB GLN 13 -2.987 -11.490 0.717 101 HB3 GLN 13 1HB GLN 13 -2.383 -12.093 -0.820 102 HG2 GLN 13 2HG GLN 13 -2.326 -14.380 0.217 103 HG3 GLN 13 1HG GLN 13 -3.186 -13.693 1.595 104 HE21 GLN 13 1HE2 GLN 13 -3.369 -14.538 -1.775 105 HE22 GLN 13 2HE2 GLN 13 -5.093 -14.474 -1.905 106 H ASP 14 H ASP 14 0.510 -11.938 -1.312 107 HA ASP 14 HA ASP 14 1.225 -14.780 -1.348 108 HB2 ASP 14 2HB ASP 14 1.412 -12.617 -3.442 109 HB3 ASP 14 1HB ASP 14 2.239 -14.161 -3.618 110 H GLY 15 H GLY 15 2.342 -11.806 -0.372 111 HA2 GLY 15 2HA GLY 15 4.336 -12.432 1.151 112 HA3 GLY 15 1HA GLY 15 5.106 -12.759 -0.382 113 H SER 16 H SER 16 3.916 -10.474 -1.757 114 HA SER 16 HA SER 16 6.083 -8.740 -1.093 115 HB2 SER 16 2HB SER 16 3.816 -8.199 -3.007 116 HB3 SER 16 1HB SER 16 5.411 -7.456 -3.010 117 HG SER 16 HG SER 16 4.586 -9.880 -4.013 118 H LYS 17 H LYS 17 5.779 -6.400 -0.673 119 HA LYS 17 HA LYS 17 3.391 -5.943 0.985 120 HB2 LYS 17 2HB LYS 17 6.223 -5.200 1.785 121 HB3 LYS 17 1HB LYS 17 4.772 -5.092 2.781 122 HG2 LYS 17 2HG LYS 17 4.593 -7.554 2.730 123 HG3 LYS 17 1HG LYS 17 6.093 -7.614 1.790 124 HD2 LYS 17 2HD LYS 17 7.309 -6.587 3.615 125 HD3 LYS 17 1HD LYS 17 5.821 -6.433 4.554 126 HE2 LYS 17 2HE LYS 17 6.984 -9.052 3.608 127 HE3 LYS 17 1HE LYS 17 7.245 -8.369 5.210 128 HZ1 LYS 17 3HZ LYS 17 4.878 -8.476 5.622 129 HZ2 LYS 17 1HZ LYS 17 5.463 -10.012 5.206 130 HZ3 LYS 17 2HZ LYS 17 4.592 -9.102 4.073 131 H VAL 18 H VAL 18 2.644 -3.898 1.089 132 HA VAL 18 HA VAL 18 4.031 -1.838 -0.519 133 HB VAL 18 HB VAL 18 1.080 -2.417 -0.147 134 HG11 VAL 18 1HG1 VAL 18 2.317 0.091 -1.315 135 HG12 VAL 18 2HG1 VAL 18 1.354 -0.011 0.161 136 HG13 VAL 18 3HG1 VAL 18 0.608 -0.336 -1.405 137 HG21 VAL 18 3HG2 VAL 18 2.292 -3.577 -1.961 138 HG22 VAL 18 1HG2 VAL 18 2.736 -2.014 -2.644 139 HG23 VAL 18 2HG2 VAL 18 1.040 -2.495 -2.568 140 H HIS 19 H HIS 19 4.236 0.208 0.424 141 HA HIS 19 HA HIS 19 3.086 0.466 3.120 142 HB2 HIS 19 2HB HIS 19 5.749 1.662 2.443 143 HB3 HIS 19 1HB HIS 19 5.049 1.357 4.025 144 HD1 HIS 19 1HD HIS 19 4.502 -1.568 4.042 145 HD2 HIS 19 2HD HIS 19 7.846 0.086 2.273 146 HE1 HIS 19 1HE HIS 19 6.128 -3.469 3.794 147 HE2 HIS 19 2HE HIS 19 8.183 -2.445 2.765 148 H VAL 20 H VAL 20 2.023 2.212 3.506 149 HA VAL 20 HA VAL 20 2.247 4.481 1.677 150 HB VAL 20 HB VAL 20 0.355 4.064 4.007 151 HG11 VAL 20 1HG1 VAL 20 0.806 6.428 3.516 152 HG12 VAL 20 2HG1 VAL 20 -0.853 5.987 3.108 153 HG13 VAL 20 3HG1 VAL 20 0.353 6.162 1.832 154 HG21 VAL 20 3HG2 VAL 20 -1.357 3.629 2.344 155 HG22 VAL 20 1HG2 VAL 20 -0.032 2.480 2.160 156 HG23 VAL 20 2HG2 VAL 20 -0.180 3.841 1.046 157 H PHE 21 H PHE 21 3.772 5.890 2.176 158 HA PHE 21 HA PHE 21 5.049 5.641 4.756 159 HB2 PHE 21 2HB PHE 21 5.773 7.128 2.238 160 HB3 PHE 21 1HB PHE 21 6.715 7.250 3.721 161 HD1 PHE 21 2HD PHE 21 8.014 5.314 4.543 162 HD2 PHE 21 1HD PHE 21 5.802 5.132 0.905 163 HE1 PHE 21 2HE PHE 21 9.219 3.277 3.904 164 HE2 PHE 21 1HE PHE 21 7.013 3.094 0.271 165 HZ PHE 21 HZ PHE 21 8.783 2.182 1.824 166 H LYS 22 H LYS 22 5.638 7.464 6.016 167 HA LYS 22 HA LYS 22 3.397 8.914 6.840 168 HB2 LYS 22 2HB LYS 22 4.912 9.958 8.423 169 HB3 LYS 22 1HB LYS 22 5.319 8.254 8.255 170 HG2 LYS 22 2HG LYS 22 7.180 8.737 6.898 171 HG3 LYS 22 1HG LYS 22 6.747 10.444 6.803 172 HD2 LYS 22 2HD LYS 22 7.092 10.657 9.224 173 HD3 LYS 22 1HD LYS 22 7.533 8.951 9.306 174 HE2 LYS 22 2HE LYS 22 9.526 10.332 9.301 175 HE3 LYS 22 1HE LYS 22 9.436 9.385 7.818 176 HZ1 LYS 22 3HZ LYS 22 8.555 12.208 8.026 177 HZ2 LYS 22 1HZ LYS 22 8.724 11.292 6.607 178 HZ3 LYS 22 2HZ LYS 22 10.096 11.741 7.500 179 H ASP 23 H ASP 23 5.705 9.626 4.414 180 HA ASP 23 HA ASP 23 5.151 12.475 4.449 181 HB2 ASP 23 2HB ASP 23 7.131 10.842 2.849 182 HB3 ASP 23 1HB ASP 23 6.953 12.590 2.732 183 H GLY 24 H GLY 24 3.648 9.895 3.404 184 HA2 GLY 24 2HA GLY 24 1.720 10.021 2.177 185 HA3 GLY 24 1HA GLY 24 2.318 11.476 1.425 186 H LYS 25 H LYS 25 4.872 9.537 0.995 187 HA LYS 25 HA LYS 25 3.972 8.737 -1.616 188 HB2 LYS 25 2HB LYS 25 6.609 8.878 -0.230 189 HB3 LYS 25 1HB LYS 25 6.437 7.842 -1.641 190 HG2 LYS 25 2HG LYS 25 7.189 9.829 -2.517 191 HG3 LYS 25 1HG LYS 25 5.461 9.906 -2.795 192 HD2 LYS 25 2HD LYS 25 6.120 12.046 -2.022 193 HD3 LYS 25 1HD LYS 25 5.307 11.255 -0.669 194 HE2 LYS 25 2HE LYS 25 7.295 10.895 0.481 195 HE3 LYS 25 1HE LYS 25 8.278 11.075 -0.974 196 HZ1 LYS 25 3HZ LYS 25 7.802 13.425 -0.993 197 HZ2 LYS 25 1HZ LYS 25 8.457 12.997 0.507 198 HZ3 LYS 25 2HZ LYS 25 6.791 13.284 0.360 199 H MET 26 H MET 26 4.984 6.470 -2.279 200 HA MET 26 HA MET 26 4.264 4.502 -0.248 201 HB2 MET 26 2HB MET 26 3.149 4.549 -3.058 202 HB3 MET 26 1HB MET 26 2.942 3.236 -1.911 203 HG2 MET 26 2HG MET 26 0.948 4.376 -1.754 204 HG3 MET 26 1HG MET 26 1.868 5.016 -0.398 205 HE1 MET 26 3HE MET 26 0.680 5.707 -4.101 206 HE2 MET 26 1HE MET 26 2.431 5.893 -4.179 207 HE3 MET 26 2HE MET 26 1.383 7.298 -4.384 208 H GLY 27 H GLY 27 5.201 2.495 -0.516 209 HA2 GLY 27 2HA GLY 27 7.050 2.137 -2.761 210 HA3 GLY 27 1HA GLY 27 7.697 2.080 -1.126 211 H MET 28 H MET 28 7.619 -0.002 -3.165 212 HA MET 28 HA MET 28 5.877 -1.947 -1.818 213 HB2 MET 28 2HB MET 28 5.116 -1.499 -4.087 214 HB3 MET 28 1HB MET 28 6.725 -1.811 -4.720 215 HG2 MET 28 2HG MET 28 6.544 -4.146 -4.039 216 HG3 MET 28 1HG MET 28 4.934 -3.835 -3.393 217 HE1 MET 28 3HE MET 28 4.347 -6.010 -6.650 218 HE2 MET 28 1HE MET 28 4.148 -5.945 -4.900 219 HE3 MET 28 2HE MET 28 5.760 -6.105 -5.599 220 H GLU 29 H GLU 29 6.733 -3.896 -1.251 221 HA GLU 29 HA GLU 29 9.515 -4.468 -2.036 222 HB2 GLU 29 2HB GLU 29 8.107 -4.842 0.597 223 HB3 GLU 29 1HB GLU 29 9.425 -5.913 0.145 224 HG2 GLU 29 2HG GLU 29 10.955 -4.101 0.027 225 HG3 GLU 29 1HG GLU 29 9.659 -2.920 0.234 226 H ASN 30 H ASN 30 9.901 -6.622 -2.656 227 HA ASN 30 HA ASN 30 7.461 -8.081 -3.286 228 HB2 ASN 30 2HB ASN 30 8.689 -9.391 -4.793 229 HB3 ASN 30 1HB ASN 30 9.383 -7.787 -4.958 230 HD21 ASN 30 1HD2 ASN 30 10.878 -8.103 -2.411 231 HD22 ASN 30 2HD2 ASN 30 12.207 -9.138 -2.814 232 H LYS 31 H LYS 31 7.387 -10.438 -2.810 233 HA LYS 31 HA LYS 31 7.451 -10.994 -0.167 234 HB2 LYS 31 2HB LYS 31 6.992 -13.230 -0.685 235 HB3 LYS 31 1HB LYS 31 6.398 -12.310 -2.056 236 HG2 LYS 31 2HG LYS 31 8.391 -12.893 -3.331 237 HG3 LYS 31 1HG LYS 31 9.011 -13.800 -1.951 238 HD2 LYS 31 2HD LYS 31 8.053 -15.451 -3.278 239 HD3 LYS 31 1HD LYS 31 6.791 -15.104 -2.093 240 HE2 LYS 31 2HE LYS 31 5.799 -15.256 -4.276 241 HE3 LYS 31 1HE LYS 31 5.729 -13.584 -3.725 242 HZ1 LYS 31 3HZ LYS 31 7.714 -13.139 -5.091 243 HZ2 LYS 31 1HZ LYS 31 6.390 -13.654 -6.013 244 HZ3 LYS 31 2HZ LYS 31 7.651 -14.732 -5.675 245 H PHE 32 H PHE 32 10.266 -10.728 -2.007 246 HA PHE 32 HA PHE 32 11.780 -12.500 -0.251 247 HB2 PHE 32 2HB PHE 32 12.609 -11.039 -2.768 248 HB3 PHE 32 1HB PHE 32 13.668 -12.081 -1.819 249 HD1 PHE 32 1HD PHE 32 13.353 -14.485 -1.798 250 HD2 PHE 32 2HD PHE 32 10.848 -11.967 -4.132 251 HE1 PHE 32 1HE PHE 32 12.595 -16.442 -3.076 252 HE2 PHE 32 2HE PHE 32 10.068 -13.923 -5.409 253 HZ PHE 32 HZ PHE 32 10.841 -16.163 -4.820 254 H GLY 33 H GLY 33 10.656 -9.495 0.026 255 HA2 GLY 33 2HA GLY 33 11.106 -8.041 1.722 256 HA3 GLY 33 1HA GLY 33 12.514 -8.998 2.132 257 H LYS 34 H LYS 34 12.145 -7.769 -1.098 258 HA LYS 34 HA LYS 34 14.175 -5.737 -0.420 259 HB2 LYS 34 2HB LYS 34 15.252 -6.021 -2.521 260 HB3 LYS 34 1HB LYS 34 15.021 -7.627 -1.856 261 HG2 LYS 34 2HG LYS 34 14.370 -8.049 -3.970 262 HG3 LYS 34 1HG LYS 34 12.820 -7.484 -3.350 263 HD2 LYS 34 2HD LYS 34 13.392 -5.205 -4.167 264 HD3 LYS 34 1HD LYS 34 14.851 -5.877 -4.896 265 HE2 LYS 34 2HE LYS 34 12.026 -6.711 -5.542 266 HE3 LYS 34 1HE LYS 34 13.021 -5.632 -6.520 267 HZ1 LYS 34 3HZ LYS 34 13.686 -8.463 -5.891 268 HZ2 LYS 34 1HZ LYS 34 14.574 -7.426 -6.896 269 HZ3 LYS 34 2HZ LYS 34 13.018 -7.919 -7.352 270 H SER 35 H SER 35 14.126 -3.771 -1.499 271 HA SER 35 HA SER 35 11.392 -2.886 -1.756 272 HB2 SER 35 2HB SER 35 12.544 -0.596 -1.816 273 HB3 SER 35 1HB SER 35 12.667 -1.544 -0.334 274 HG SER 35 HG SER 35 14.663 -0.529 -1.309 275 H MET 36 H MET 36 10.427 -1.995 -3.467 276 HA MET 36 HA MET 36 11.877 -1.554 -5.950 277 HB2 MET 36 2HB MET 36 10.173 -2.972 -7.183 278 HB3 MET 36 1HB MET 36 11.345 -3.866 -6.223 279 HG2 MET 36 2HG MET 36 9.673 -4.058 -4.420 280 HG3 MET 36 1HG MET 36 8.503 -3.240 -5.452 281 HE1 MET 36 3HE MET 36 7.822 -5.794 -8.262 282 HE2 MET 36 1HE MET 36 8.873 -4.378 -8.285 283 HE3 MET 36 2HE MET 36 7.304 -4.302 -7.478 284 H ASN 37 H ASN 37 10.159 -0.788 -7.665 285 HA ASN 37 HA ASN 37 8.407 1.108 -6.296 286 HB2 ASN 37 2HB ASN 37 8.133 2.116 -8.599 287 HB3 ASN 37 1HB ASN 37 9.756 2.190 -7.928 288 HD21 ASN 37 1HD2 ASN 37 11.390 1.039 -8.868 289 HD22 ASN 37 2HD2 ASN 37 11.232 0.264 -10.410 290 H MET 38 H MET 38 6.218 1.399 -6.965 291 HA MET 38 HA MET 38 4.991 -1.209 -7.393 292 HB2 MET 38 2HB MET 38 4.294 0.131 -5.448 293 HB3 MET 38 1HB MET 38 3.774 1.420 -6.523 294 HG2 MET 38 2HG MET 38 2.059 -0.009 -7.459 295 HG3 MET 38 1HG MET 38 2.611 -1.357 -6.465 296 HE1 MET 38 3HE MET 38 -0.845 -0.440 -4.861 297 HE2 MET 38 1HE MET 38 0.112 -1.690 -5.654 298 HE3 MET 38 2HE MET 38 -0.445 -0.291 -6.571 299 HA PRO 39 HA PRO 39 4.008 -0.199 -11.609 300 HB2 PRO 39 2HB PRO 39 2.227 -2.243 -12.000 301 HB3 PRO 39 1HB PRO 39 3.979 -2.423 -12.102 302 HG2 PRO 39 2HG PRO 39 2.128 -3.108 -9.863 303 HG3 PRO 39 1HG PRO 39 3.556 -3.984 -10.448 304 HD2 PRO 39 2HD PRO 39 3.582 -2.433 -8.217 305 HD3 PRO 39 1HD PRO 39 5.009 -2.658 -9.248 306 H GLU 40 H GLU 40 2.787 1.510 -11.939 307 HA GLU 40 HA GLU 40 0.344 1.983 -10.534 308 HB2 GLU 40 2HB GLU 40 1.801 3.840 -11.141 309 HB3 GLU 40 1HB GLU 40 1.627 3.452 -12.846 310 HG2 GLU 40 2HG GLU 40 -0.696 4.050 -12.798 311 HG3 GLU 40 1HG GLU 40 -0.639 4.290 -11.052 312 H GLY 41 H GLY 41 -1.703 1.588 -11.150 313 HA2 GLY 41 2HA GLY 41 -3.301 1.674 -13.014 314 HA3 GLY 41 1HA GLY 41 -2.129 0.771 -13.957 315 H LYS 42 H LYS 42 -1.869 -0.701 -11.084 316 HA LYS 42 HA LYS 42 -4.069 -2.562 -11.725 317 HB2 LYS 42 2HB LYS 42 -1.304 -3.213 -10.738 318 HB3 LYS 42 1HB LYS 42 -2.622 -4.373 -10.823 319 HG2 LYS 42 2HG LYS 42 -2.735 -3.753 -13.313 320 HG3 LYS 42 1HG LYS 42 -1.137 -3.049 -13.058 321 HD2 LYS 42 2HD LYS 42 -1.929 -5.907 -12.508 322 HD3 LYS 42 1HD LYS 42 -0.970 -5.342 -13.876 323 HE2 LYS 42 2HE LYS 42 0.780 -4.587 -12.364 324 HE3 LYS 42 1HE LYS 42 -0.187 -5.081 -10.973 325 HZ1 LYS 42 3HZ LYS 42 -0.033 -7.363 -11.674 326 HZ2 LYS 42 1HZ LYS 42 1.528 -6.708 -11.574 327 HZ3 LYS 42 2HZ LYS 42 0.798 -6.920 -13.090 328 H VAL 43 H VAL 43 -5.256 -3.410 -10.137 329 HA VAL 43 HA VAL 43 -4.740 -2.426 -7.425 330 HB VAL 43 HB VAL 43 -7.006 -1.963 -8.314 331 HG11 VAL 43 1HG1 VAL 43 -7.304 -3.895 -9.748 332 HG12 VAL 43 2HG1 VAL 43 -8.622 -3.775 -8.579 333 HG13 VAL 43 3HG1 VAL 43 -7.332 -4.955 -8.340 334 HG21 VAL 43 3HG2 VAL 43 -6.702 -2.168 -5.918 335 HG22 VAL 43 1HG2 VAL 43 -6.954 -3.912 -6.016 336 HG23 VAL 43 2HG2 VAL 43 -8.276 -2.808 -6.393 337 H MET 44 H MET 44 -4.311 -3.795 -5.775 338 HA MET 44 HA MET 44 -4.165 -6.663 -6.419 339 HB2 MET 44 2HB MET 44 -2.050 -5.014 -5.017 340 HB3 MET 44 1HB MET 44 -2.040 -6.770 -5.102 341 HG2 MET 44 2HG MET 44 -1.904 -6.648 -7.541 342 HG3 MET 44 1HG MET 44 -1.903 -4.889 -7.451 343 HE1 MET 44 3HE MET 44 0.090 -3.463 -6.369 344 HE2 MET 44 1HE MET 44 1.495 -4.197 -5.599 345 HE3 MET 44 2HE MET 44 -0.104 -4.382 -4.876 346 H GLU 45 H GLU 45 -4.101 -8.039 -4.484 347 HA GLU 45 HA GLU 45 -5.904 -6.904 -2.489 348 HB2 GLU 45 2HB GLU 45 -5.461 -9.670 -3.535 349 HB3 GLU 45 1HB GLU 45 -6.162 -9.452 -1.933 350 HG2 GLU 45 2HG GLU 45 -8.028 -8.332 -2.773 351 HG3 GLU 45 1HG GLU 45 -7.270 -8.060 -4.345 352 H THR 46 H THR 46 -5.773 -7.742 -0.336 353 HA THR 46 HA THR 46 -2.981 -7.981 0.595 354 HB THR 46 HB THR 46 -3.746 -6.808 2.647 355 HG1 THR 46 1HG THR 46 -6.026 -5.979 1.206 356 HG21 THR 46 3HG2 THR 46 -2.634 -5.569 0.829 357 HG22 THR 46 1HG2 THR 46 -3.823 -4.572 1.667 358 HG23 THR 46 2HG2 THR 46 -4.207 -5.262 0.091 359 H ARG 47 H ARG 47 -2.711 -9.083 2.667 360 HA ARG 47 HA ARG 47 -3.928 -11.552 2.860 361 HB2 ARG 47 2HB ARG 47 -2.406 -9.876 4.815 362 HB3 ARG 47 1HB ARG 47 -3.140 -11.382 5.345 363 HG2 ARG 47 2HG ARG 47 -1.894 -12.563 3.571 364 HG3 ARG 47 1HG ARG 47 -1.094 -11.038 3.174 365 HD2 ARG 47 2HD ARG 47 0.299 -11.188 4.915 366 HD3 ARG 47 1HD ARG 47 -0.987 -11.698 6.011 367 HE ARG 47 HE ARG 47 -0.686 -13.965 5.132 368 HH11 ARG 47 1HH1 ARG 47 1.892 -11.670 4.479 369 HH12 ARG 47 2HH1 ARG 47 3.127 -12.893 4.434 370 HH21 ARG 47 1HH2 ARG 47 0.922 -15.558 5.058 371 HH22 ARG 47 2HH2 ARG 47 2.577 -15.110 4.765 372 H ASP 48 H ASP 48 -5.153 -8.499 4.048 373 HA ASP 48 HA ASP 48 -6.909 -9.903 5.917 374 HB2 ASP 48 2HB ASP 48 -7.448 -7.715 6.853 375 HB3 ASP 48 1HB ASP 48 -5.709 -7.988 6.822 376 H GLY 49 H GLY 49 -7.029 -8.891 2.736 377 HA2 GLY 49 2HA GLY 49 -8.899 -9.623 1.478 378 HA3 GLY 49 1HA GLY 49 -9.914 -9.358 2.882 379 H THR 50 H THR 50 -7.706 -6.805 2.060 380 HA THR 50 HA THR 50 -9.950 -5.407 0.770 381 HB THR 50 HB THR 50 -9.213 -4.364 2.930 382 HG1 THR 50 1HG THR 50 -10.170 -3.157 1.149 383 HG21 THR 50 3HG2 THR 50 -7.128 -3.048 2.922 384 HG22 THR 50 1HG2 THR 50 -6.691 -3.774 1.373 385 HG23 THR 50 2HG2 THR 50 -6.817 -4.783 2.815 386 H LYS 51 H LYS 51 -9.090 -3.605 -0.748 387 HA LYS 51 HA LYS 51 -6.968 -4.820 -2.388 388 HB2 LYS 51 2HB LYS 51 -9.424 -3.465 -3.514 389 HB3 LYS 51 1HB LYS 51 -8.222 -4.411 -4.378 390 HG2 LYS 51 2HG LYS 51 -8.961 -6.418 -3.128 391 HG3 LYS 51 1HG LYS 51 -10.239 -5.445 -2.394 392 HD2 LYS 51 2HD LYS 51 -10.950 -4.891 -4.782 393 HD3 LYS 51 1HD LYS 51 -9.884 -6.203 -5.282 394 HE2 LYS 51 2HE LYS 51 -12.261 -6.419 -3.435 395 HE3 LYS 51 1HE LYS 51 -12.170 -6.997 -5.094 396 HZ1 LYS 51 3HZ LYS 51 -10.225 -8.409 -4.222 397 HZ2 LYS 51 1HZ LYS 51 -11.804 -8.887 -3.837 398 HZ3 LYS 51 2HZ LYS 51 -10.855 -8.086 -2.687 399 H ILE 52 H ILE 52 -5.609 -3.403 -3.460 400 HA ILE 52 HA ILE 52 -5.985 -0.527 -3.002 401 HB ILE 52 HB ILE 52 -3.594 -0.307 -2.336 402 HG12 ILE 52 2HG1 ILE 52 -3.715 -3.319 -2.035 403 HG13 ILE 52 1HG1 ILE 52 -2.831 -2.465 -3.293 404 HG21 ILE 52 1HG2 ILE 52 -5.398 -0.315 -0.667 405 HG22 ILE 52 2HG2 ILE 52 -3.898 -0.984 -0.028 406 HG23 ILE 52 3HG2 ILE 52 -5.215 -2.061 -0.495 407 HD11 ILE 52 3HD1 ILE 52 -2.292 -2.327 -0.337 408 HD12 ILE 52 1HD1 ILE 52 -1.420 -1.428 -1.576 409 HD13 ILE 52 2HD1 ILE 52 -1.336 -3.189 -1.541 410 H ILE 53 H ILE 53 -4.704 0.830 -4.367 411 HA ILE 53 HA ILE 53 -3.117 -0.355 -6.466 412 HB ILE 53 HB ILE 53 -5.056 -0.737 -7.728 413 HG12 ILE 53 2HG1 ILE 53 -3.992 1.983 -8.501 414 HG13 ILE 53 1HG1 ILE 53 -3.453 0.418 -9.095 415 HG21 ILE 53 1HG2 ILE 53 -6.079 1.951 -6.837 416 HG22 ILE 53 2HG2 ILE 53 -6.688 0.368 -6.358 417 HG23 ILE 53 3HG2 ILE 53 -6.871 0.914 -8.024 418 HD11 ILE 53 3HD1 ILE 53 -4.801 1.624 -10.732 419 HD12 ILE 53 1HD1 ILE 53 -6.158 1.633 -9.603 420 HD13 ILE 53 2HD1 ILE 53 -5.558 0.104 -10.247 421 H MET 54 H MET 54 -1.904 1.157 -7.639 422 HA MET 54 HA MET 54 -1.915 3.879 -6.504 423 HB2 MET 54 2HB MET 54 0.200 2.697 -6.059 424 HB3 MET 54 1HB MET 54 0.372 2.343 -7.773 425 HG2 MET 54 2HG MET 54 0.575 4.714 -8.261 426 HG3 MET 54 1HG MET 54 0.360 5.094 -6.553 427 HE1 MET 54 3HE MET 54 2.594 6.565 -6.695 428 HE2 MET 54 1HE MET 54 2.786 6.115 -8.390 429 HE3 MET 54 2HE MET 54 4.137 5.934 -7.270 430 H LYS 55 H LYS 55 -2.878 5.217 -7.845 431 HA LYS 55 HA LYS 55 -2.283 5.090 -10.698 432 HB2 LYS 55 2HB LYS 55 -4.406 3.765 -10.211 433 HB3 LYS 55 1HB LYS 55 -5.132 5.285 -9.712 434 HG2 LYS 55 2HG LYS 55 -5.767 4.774 -11.978 435 HG3 LYS 55 1HG LYS 55 -4.722 6.196 -11.959 436 HD2 LYS 55 2HD LYS 55 -2.815 4.819 -12.606 437 HD3 LYS 55 1HD LYS 55 -3.834 3.378 -12.586 438 HE2 LYS 55 2HE LYS 55 -4.258 5.772 -14.370 439 HE3 LYS 55 1HE LYS 55 -3.450 4.286 -14.859 440 HZ1 LYS 55 3HZ LYS 55 -5.820 4.412 -15.509 441 HZ2 LYS 55 1HZ LYS 55 -6.249 4.402 -13.869 442 HZ3 LYS 55 2HZ LYS 55 -5.462 3.062 -14.544 443 H GLY 56 H GLY 56 -2.298 7.095 -11.652 444 HA2 GLY 56 2HA GLY 56 -2.201 9.387 -11.751 445 HA3 GLY 56 1HA GLY 56 -3.430 9.416 -10.493 446 H ASN 57 H ASN 57 -0.349 7.808 -10.141 447 HA ASN 57 HA ASN 57 1.384 8.078 -8.704 448 HB2 ASN 57 2HB ASN 57 0.706 10.958 -9.247 449 HB3 ASN 57 1HB ASN 57 1.995 10.525 -8.129 450 HD21 ASN 57 1HD2 ASN 57 1.280 8.546 -10.899 451 HD22 ASN 57 2HD2 ASN 57 2.713 8.944 -11.795 452 H GLU 58 H GLU 58 -1.395 7.839 -7.740 453 HA GLU 58 HA GLU 58 -0.863 8.572 -4.945 454 HB2 GLU 58 2HB GLU 58 -3.422 8.966 -6.479 455 HB3 GLU 58 1HB GLU 58 -3.405 8.825 -4.729 456 HG2 GLU 58 2HG GLU 58 -1.856 10.760 -4.638 457 HG3 GLU 58 1HG GLU 58 -2.041 10.935 -6.383 458 H ILE 59 H ILE 59 -2.000 7.239 -3.415 459 HA ILE 59 HA ILE 59 -2.447 4.559 -4.493 460 HB ILE 59 HB ILE 59 -1.066 5.536 -2.167 461 HG12 ILE 59 2HG1 ILE 59 -0.319 3.859 -3.884 462 HG13 ILE 59 1HG1 ILE 59 -0.035 3.387 -2.211 463 HG21 ILE 59 1HG2 ILE 59 -3.183 3.483 -1.567 464 HG22 ILE 59 2HG2 ILE 59 -3.088 5.115 -0.909 465 HG23 ILE 59 3HG2 ILE 59 -1.850 3.927 -0.500 466 HD11 ILE 59 3HD1 ILE 59 -1.996 1.940 -2.284 467 HD12 ILE 59 1HD1 ILE 59 -0.834 1.519 -3.542 468 HD13 ILE 59 2HD1 ILE 59 -2.292 2.422 -3.956 469 H PHE 60 H PHE 60 -4.423 3.900 -4.715 470 HA PHE 60 HA PHE 60 -6.620 4.890 -3.106 471 HB2 PHE 60 2HB PHE 60 -7.503 4.291 -5.136 472 HB3 PHE 60 1HB PHE 60 -6.252 3.103 -5.447 473 HD1 PHE 60 1HD PHE 60 -6.482 0.830 -4.599 474 HD2 PHE 60 2HD PHE 60 -9.622 3.656 -4.172 475 HE1 PHE 60 1HE PHE 60 -8.045 -1.003 -4.221 476 HE2 PHE 60 2HE PHE 60 -11.213 1.809 -3.771 477 HZ PHE 60 HZ PHE 60 -10.410 -0.535 -3.811 478 H ARG 61 H ARG 61 -6.613 4.349 -1.108 479 HA ARG 61 HA ARG 61 -5.984 1.574 -0.403 480 HB2 ARG 61 2HB ARG 61 -4.300 3.295 0.404 481 HB3 ARG 61 1HB ARG 61 -5.579 3.989 1.391 482 HG2 ARG 61 2HG ARG 61 -4.898 1.095 1.646 483 HG3 ARG 61 1HG ARG 61 -3.895 2.314 2.429 484 HD2 ARG 61 2HD ARG 61 -6.876 2.051 2.805 485 HD3 ARG 61 1HD ARG 61 -5.670 1.354 3.887 486 HE ARG 61 HE ARG 61 -5.952 4.258 3.416 487 HH11 ARG 61 1HH1 ARG 61 -5.342 1.515 5.486 488 HH12 ARG 61 2HH1 ARG 61 -5.057 2.474 6.913 489 HH21 ARG 61 1HH2 ARG 61 -5.591 5.553 5.294 490 HH22 ARG 61 2HH2 ARG 61 -5.186 4.776 6.797 491 H LEU 62 H LEU 62 -7.789 0.620 0.171 492 HA LEU 62 HA LEU 62 -10.099 0.352 0.280 493 HB2 LEU 62 2HB LEU 62 -9.359 2.278 2.409 494 HB3 LEU 62 1HB LEU 62 -11.070 2.109 2.054 495 HG LEU 62 HG LEU 62 -10.493 0.668 3.893 496 HD11 LEU 62 1HD1 LEU 62 -12.181 -0.100 2.331 497 HD12 LEU 62 2HD1 LEU 62 -11.262 -1.468 2.966 498 HD13 LEU 62 3HD1 LEU 62 -10.942 -0.864 1.337 499 HD21 LEU 62 3HD2 LEU 62 -8.490 -0.600 2.024 500 HD22 LEU 62 1HD2 LEU 62 -8.886 -1.156 3.649 501 HD23 LEU 62 2HD2 LEU 62 -8.106 0.410 3.417 502 H ASP 63 H ASP 63 -9.219 3.774 0.150 503 HA ASP 63 HA ASP 63 -10.057 5.574 -0.919 504 HB2 ASP 63 2HB ASP 63 -10.581 4.419 -2.916 505 HB3 ASP 63 1HB ASP 63 -11.919 3.570 -2.159 506 H GLU 64 H GLU 64 -12.039 3.409 0.823 507 HA GLU 64 HA GLU 64 -13.864 5.441 1.762 508 HB2 GLU 64 2HB GLU 64 -14.616 3.118 1.454 509 HB3 GLU 64 1HB GLU 64 -13.437 2.569 2.632 510 HG2 GLU 64 2HG GLU 64 -15.418 4.594 3.508 511 HG3 GLU 64 1HG GLU 64 -15.984 2.947 3.236 512 H ALA 65 H ALA 65 -11.039 3.671 2.958 513 HA ALA 65 HA ALA 65 -10.987 4.656 5.587 514 HB1 ALA 65 1HB ALA 65 -9.562 2.802 4.552 515 HB2 ALA 65 2HB ALA 65 -8.776 3.864 5.719 516 HB3 ALA 65 3HB ALA 65 -8.500 4.093 3.993 517 H LEU 66 H LEU 66 -9.865 5.944 2.575 518 HA LEU 66 HA LEU 66 -8.569 8.244 3.797 519 HB2 LEU 66 2HB LEU 66 -8.993 7.579 0.882 520 HB3 LEU 66 1HB LEU 66 -7.885 8.773 1.533 521 HG LEU 66 HG LEU 66 -7.574 5.905 2.327 522 HD11 LEU 66 1HD1 LEU 66 -6.023 5.634 0.405 523 HD12 LEU 66 2HD1 LEU 66 -6.671 7.133 -0.266 524 HD13 LEU 66 3HD1 LEU 66 -7.725 5.733 -0.039 525 HD21 LEU 66 3HD2 LEU 66 -5.621 8.167 1.911 526 HD22 LEU 66 1HD2 LEU 66 -5.223 6.546 2.480 527 HD23 LEU 66 2HD2 LEU 66 -6.237 7.601 3.464 528 H ARG 67 H ARG 67 -11.647 7.425 3.141 529 HA ARG 67 HA ARG 67 -12.565 9.763 1.760 530 HB2 ARG 67 2HB ARG 67 -13.726 7.626 1.503 531 HB3 ARG 67 1HB ARG 67 -14.091 7.605 3.223 532 HG2 ARG 67 2HG ARG 67 -16.024 8.291 1.962 533 HG3 ARG 67 1HG ARG 67 -15.439 9.628 2.957 534 HD2 ARG 67 2HD ARG 67 -14.187 10.426 0.925 535 HD3 ARG 67 1HD ARG 67 -15.069 9.213 -0.001 536 HE ARG 67 HE ARG 67 -16.802 10.930 1.501 537 HH11 ARG 67 1HH1 ARG 67 -15.023 10.559 -1.490 538 HH12 ARG 67 2HH1 ARG 67 -15.926 11.787 -2.331 539 HH21 ARG 67 1HH2 ARG 67 -18.023 12.506 0.394 540 HH22 ARG 67 2HH2 ARG 67 -17.651 12.888 -1.261 541 H LYS 68 H LYS 68 -13.386 8.462 4.966 542 HA LYS 68 HA LYS 68 -13.893 11.219 5.846 543 HB2 LYS 68 2HB LYS 68 -15.308 10.095 7.625 544 HB3 LYS 68 1HB LYS 68 -15.912 9.994 5.978 545 HG2 LYS 68 2HG LYS 68 -15.118 7.725 5.783 546 HG3 LYS 68 1HG LYS 68 -14.394 7.812 7.393 547 HD2 LYS 68 2HD LYS 68 -16.658 8.233 8.329 548 HD3 LYS 68 1HD LYS 68 -17.330 7.990 6.718 549 HE2 LYS 68 2HE LYS 68 -15.774 5.954 8.308 550 HE3 LYS 68 1HE LYS 68 -17.523 5.980 8.105 551 HZ1 LYS 68 3HZ LYS 68 -16.954 5.889 5.605 552 HZ2 LYS 68 1HZ LYS 68 -16.830 4.471 6.529 553 HZ3 LYS 68 2HZ LYS 68 -15.435 5.337 6.126 554 H GLY 69 H GLY 69 -13.448 11.701 8.113 555 HA2 GLY 69 2HA GLY 69 -12.312 10.886 10.168 556 HA3 GLY 69 1HA GLY 69 -11.112 10.170 9.099 557 H HIS 70 H HIS 70 -11.560 12.701 7.402 558 HA HIS 70 HA HIS 70 -10.452 14.803 9.002 559 HB2 HIS 70 2HB HIS 70 -8.330 15.033 7.831 560 HB3 HIS 70 1HB HIS 70 -8.419 13.447 8.580 561 HD1 HIS 70 1HD HIS 70 -7.707 15.086 5.416 562 HD2 HIS 70 2HD HIS 70 -9.033 11.333 6.624 563 HE1 HIS 70 1HE HIS 70 -7.367 13.579 3.440 564 HE2 HIS 70 2HE HIS 70 -7.936 11.277 4.279 565 H SER 71 H SER 71 -11.158 16.674 8.206 566 HA SER 71 HA SER 71 -12.494 16.827 5.703 567 HB2 SER 71 2HB SER 71 -11.522 19.090 7.464 568 HB3 SER 71 1HB SER 71 -12.769 19.188 6.219 569 HG SER 71 HG SER 71 -13.816 17.449 7.559 570 H GLU 72 H GLU 72 -9.408 17.934 6.933 571 HA GLU 72 HA GLU 72 -8.357 17.907 4.191 572 HB2 GLU 72 2HB GLU 72 -8.618 20.253 4.768 573 HB3 GLU 72 1HB GLU 72 -7.814 19.997 6.309 574 HG2 GLU 72 2HG GLU 72 -5.738 19.462 5.145 575 HG3 GLU 72 1HG GLU 72 -6.542 19.717 3.598 576 H GLY 73 H GLY 73 -7.330 18.272 7.575 577 HA2 GLY 73 2HA GLY 73 -6.037 15.940 8.031 578 HA3 GLY 73 1HA GLY 73 -4.869 16.856 7.086 579 H GLY 74 H GLY 74 -5.898 16.171 10.154 580 HA2 GLY 74 2HA GLY 74 -4.098 17.984 11.365 581 HA3 GLY 74 1HA GLY 74 -5.741 18.596 11.518 Start of MODEL 6 1 H1 VAL 1 1HT VAL 1 12.303 -3.246 4.403 2 H2 VAL 1 2HT VAL 1 11.532 -3.233 5.914 3 H3 VAL 1 3HT VAL 1 13.195 -2.939 5.810 4 HA VAL 1 HA VAL 1 12.845 -0.884 4.676 5 HB VAL 1 HB VAL 1 10.814 -1.636 3.439 6 HG11 VAL 1 2HG1 VAL 1 9.612 -2.665 5.292 7 HG12 VAL 1 3HG1 VAL 1 8.616 -1.460 4.469 8 HG13 VAL 1 1HG1 VAL 1 9.367 -1.078 6.021 9 HG21 VAL 1 1HG2 VAL 1 11.410 0.725 3.457 10 HG22 VAL 1 2HG2 VAL 1 10.480 0.962 4.937 11 HG23 VAL 1 3HG2 VAL 1 9.658 0.522 3.439 12 H ASP 2 H ASP 2 12.479 1.077 5.883 13 HA ASP 2 HA ASP 2 12.565 0.661 8.713 14 HB2 ASP 2 2HB ASP 2 12.513 3.194 7.058 15 HB3 ASP 2 1HB ASP 2 12.697 3.170 8.808 16 H MET 3 H MET 3 10.922 0.608 10.087 17 HA MET 3 HA MET 3 8.252 1.230 9.143 18 HB2 MET 3 2HB MET 3 9.325 -0.034 11.654 19 HB3 MET 3 1HB MET 3 7.618 0.340 11.439 20 HG2 MET 3 2HG MET 3 9.234 -1.391 9.594 21 HG3 MET 3 1HG MET 3 8.209 -1.990 10.895 22 HE1 MET 3 3HE MET 3 7.309 -3.447 8.674 23 HE2 MET 3 1HE MET 3 8.210 -2.419 7.560 24 HE3 MET 3 2HE MET 3 6.481 -2.674 7.322 25 H SER 4 H SER 4 10.519 3.203 10.095 26 HA SER 4 HA SER 4 9.243 4.519 12.332 27 HB2 SER 4 2HB SER 4 11.633 5.516 10.789 28 HB3 SER 4 1HB SER 4 11.216 5.816 12.476 29 HG SER 4 HG SER 4 12.903 4.109 11.804 30 H ASN 5 H ASN 5 9.425 4.805 8.904 31 HA ASN 5 HA ASN 5 8.306 7.518 9.021 32 HB2 ASN 5 2HB ASN 5 9.243 7.734 6.673 33 HB3 ASN 5 1HB ASN 5 10.420 7.649 7.979 34 HD21 ASN 5 1HD2 ASN 5 8.673 4.880 6.700 35 HD22 ASN 5 2HD2 ASN 5 10.060 4.102 6.025 36 H VAL 6 H VAL 6 7.191 4.615 8.818 37 HA VAL 6 HA VAL 6 5.413 5.136 6.531 38 HB VAL 6 HB VAL 6 6.658 3.056 6.354 39 HG11 VAL 6 1HG1 VAL 6 6.290 1.195 7.881 40 HG12 VAL 6 2HG1 VAL 6 5.298 2.231 8.909 41 HG13 VAL 6 3HG1 VAL 6 7.016 2.576 8.704 42 HG21 VAL 6 3HG2 VAL 6 3.719 2.685 6.859 43 HG22 VAL 6 1HG2 VAL 6 4.753 1.499 6.065 44 HG23 VAL 6 2HG2 VAL 6 4.504 3.082 5.330 45 H VAL 7 H VAL 7 3.267 5.384 6.786 46 HA VAL 7 HA VAL 7 2.247 5.501 9.518 47 HB VAL 7 HB VAL 7 0.144 6.385 8.529 48 HG11 VAL 7 1HG1 VAL 7 2.664 7.826 7.733 49 HG12 VAL 7 2HG1 VAL 7 1.839 7.924 9.290 50 HG13 VAL 7 3HG1 VAL 7 1.061 8.553 7.837 51 HG21 VAL 7 3HG2 VAL 7 1.641 6.433 5.918 52 HG22 VAL 7 1HG2 VAL 7 -0.001 7.002 6.222 53 HG23 VAL 7 2HG2 VAL 7 0.360 5.278 6.313 54 H LYS 8 H LYS 8 2.043 3.435 6.758 55 HA LYS 8 HA LYS 8 0.926 1.339 8.285 56 HB2 LYS 8 2HB LYS 8 -1.173 2.541 7.939 57 HB3 LYS 8 1HB LYS 8 -0.907 2.548 6.202 58 HG2 LYS 8 2HG LYS 8 -2.509 0.843 6.769 59 HG3 LYS 8 1HG LYS 8 -1.016 0.085 6.203 60 HD2 LYS 8 2HD LYS 8 -0.359 -0.425 8.465 61 HD3 LYS 8 1HD LYS 8 -1.743 0.462 9.111 62 HE2 LYS 8 2HE LYS 8 -2.030 -1.911 7.279 63 HE3 LYS 8 1HE LYS 8 -1.961 -2.064 9.033 64 HZ1 LYS 8 3HZ LYS 8 -3.974 -1.002 9.292 65 HZ2 LYS 8 1HZ LYS 8 -4.241 -1.904 7.886 66 HZ3 LYS 8 2HZ LYS 8 -3.914 -0.240 7.788 67 H THR 9 H THR 9 1.553 -0.509 7.475 68 HA THR 9 HA THR 9 2.420 -0.580 4.665 69 HB THR 9 HB THR 9 3.451 -1.945 7.117 70 HG1 THR 9 1HG THR 9 4.898 -0.485 6.767 71 HG21 THR 9 3HG2 THR 9 4.850 -3.415 5.719 72 HG22 THR 9 1HG2 THR 9 3.972 -2.866 4.292 73 HG23 THR 9 2HG2 THR 9 3.134 -3.781 5.546 74 H TYR 10 H TYR 10 1.812 -2.288 3.384 75 HA TYR 10 HA TYR 10 -0.443 -3.883 4.372 76 HB2 TYR 10 2HB TYR 10 -0.155 -2.305 1.862 77 HB3 TYR 10 1HB TYR 10 -1.118 -3.783 1.838 78 HD1 TYR 10 2HD TYR 10 -2.839 -4.015 3.756 79 HD2 TYR 10 1HD TYR 10 -1.181 -0.321 2.486 80 HE1 TYR 10 2HE TYR 10 -4.727 -2.846 4.770 81 HE2 TYR 10 1HE TYR 10 -3.076 0.883 3.496 82 HH TYR 10 HH TYR 10 -5.342 -0.674 5.597 83 H ASP 11 H ASP 11 -0.481 -5.896 4.053 84 HA ASP 11 HA ASP 11 1.867 -7.099 2.793 85 HB2 ASP 11 2HB ASP 11 0.903 -7.615 5.220 86 HB3 ASP 11 1HB ASP 11 -0.130 -8.715 4.312 87 H LEU 12 H LEU 12 1.680 -7.946 0.888 88 HA LEU 12 HA LEU 12 -0.957 -8.159 -0.331 89 HB2 LEU 12 2HB LEU 12 1.789 -8.513 -1.534 90 HB3 LEU 12 1HB LEU 12 0.293 -8.689 -2.429 91 HG LEU 12 HG LEU 12 1.600 -6.215 -1.400 92 HD11 LEU 12 1HD1 LEU 12 1.868 -6.872 -3.734 93 HD12 LEU 12 2HD1 LEU 12 0.968 -5.364 -3.585 94 HD13 LEU 12 3HD1 LEU 12 0.118 -6.870 -3.937 95 HD21 LEU 12 3HD2 LEU 12 -0.580 -6.125 -0.344 96 HD22 LEU 12 1HD2 LEU 12 -1.363 -6.473 -1.888 97 HD23 LEU 12 2HD2 LEU 12 -0.484 -4.959 -1.663 98 H GLN 13 H GLN 13 -1.856 -10.033 -1.102 99 HA GLN 13 HA GLN 13 -1.624 -12.093 0.770 100 HB2 GLN 13 2HB GLN 13 -3.637 -11.323 -0.595 101 HB3 GLN 13 1HB GLN 13 -3.023 -12.370 -1.869 102 HG2 GLN 13 2HG GLN 13 -3.156 -14.283 -0.373 103 HG3 GLN 13 1HG GLN 13 -3.741 -13.232 0.916 104 HE21 GLN 13 1HE2 GLN 13 -5.015 -15.545 -0.277 105 HE22 GLN 13 2HE2 GLN 13 -6.513 -14.996 -0.950 106 H ASP 14 H ASP 14 0.128 -11.703 -2.146 107 HA ASP 14 HA ASP 14 0.627 -14.586 -2.349 108 HB2 ASP 14 2HB ASP 14 0.200 -14.155 -4.524 109 HB3 ASP 14 1HB ASP 14 0.400 -12.420 -4.311 110 H GLY 15 H GLY 15 2.183 -11.444 -2.198 111 HA2 GLY 15 2HA GLY 15 4.434 -12.069 -0.770 112 HA3 GLY 15 1HA GLY 15 4.765 -12.622 -2.396 113 H SER 16 H SER 16 3.768 -9.797 -0.571 114 HA SER 16 HA SER 16 5.811 -8.166 -1.584 115 HB2 SER 16 2HB SER 16 4.482 -8.178 -3.651 116 HB3 SER 16 1HB SER 16 3.077 -7.642 -2.742 117 HG SER 16 HG SER 16 5.501 -6.204 -3.046 118 H LYS 17 H LYS 17 5.819 -6.155 -0.550 119 HA LYS 17 HA LYS 17 3.617 -5.702 1.343 120 HB2 LYS 17 2HB LYS 17 6.544 -5.134 1.836 121 HB3 LYS 17 1HB LYS 17 5.226 -4.903 2.977 122 HG2 LYS 17 2HG LYS 17 4.828 -7.354 2.926 123 HG3 LYS 17 1HG LYS 17 6.259 -7.522 1.903 124 HD2 LYS 17 2HD LYS 17 7.615 -6.479 3.677 125 HD3 LYS 17 1HD LYS 17 6.182 -6.400 4.703 126 HE2 LYS 17 2HE LYS 17 7.417 -8.919 3.596 127 HE3 LYS 17 1HE LYS 17 7.588 -8.329 5.248 128 HZ1 LYS 17 3HZ LYS 17 5.210 -8.568 5.554 129 HZ2 LYS 17 1HZ LYS 17 5.897 -10.047 5.082 130 HZ3 LYS 17 2HZ LYS 17 5.033 -9.118 3.965 131 H VAL 18 H VAL 18 2.663 -3.809 1.121 132 HA VAL 18 HA VAL 18 4.048 -1.674 -0.360 133 HB VAL 18 HB VAL 18 1.104 -2.067 0.265 134 HG11 VAL 18 1HG1 VAL 18 2.457 0.094 -1.359 135 HG12 VAL 18 2HG1 VAL 18 1.614 0.308 0.177 136 HG13 VAL 18 3HG1 VAL 18 0.715 -0.165 -1.266 137 HG21 VAL 18 3HG2 VAL 18 2.622 -2.307 -2.333 138 HG22 VAL 18 1HG2 VAL 18 0.871 -2.418 -2.160 139 HG23 VAL 18 2HG2 VAL 18 1.910 -3.628 -1.407 140 H HIS 19 H HIS 19 4.145 0.435 0.564 141 HA HIS 19 HA HIS 19 3.144 0.666 3.309 142 HB2 HIS 19 2HB HIS 19 5.749 1.972 2.891 143 HB3 HIS 19 1HB HIS 19 5.131 1.131 4.301 144 HD1 HIS 19 1HD HIS 19 4.991 -1.717 3.546 145 HD2 HIS 19 2HD HIS 19 7.963 0.784 2.151 146 HE1 HIS 19 1HE HIS 19 6.848 -3.238 2.794 147 HE2 HIS 19 2HE HIS 19 8.526 -1.697 1.695 148 H VAL 20 H VAL 20 2.156 2.515 3.669 149 HA VAL 20 HA VAL 20 2.575 4.710 1.766 150 HB VAL 20 HB VAL 20 0.507 4.516 3.974 151 HG11 VAL 20 1HG1 VAL 20 -0.552 6.405 2.809 152 HG12 VAL 20 2HG1 VAL 20 0.793 6.452 1.669 153 HG13 VAL 20 3HG1 VAL 20 1.068 6.809 3.374 154 HG21 VAL 20 3HG2 VAL 20 0.179 4.054 1.009 155 HG22 VAL 20 1HG2 VAL 20 -1.112 4.052 2.211 156 HG23 VAL 20 2HG2 VAL 20 0.140 2.809 2.256 157 H PHE 21 H PHE 21 3.953 6.239 2.332 158 HA PHE 21 HA PHE 21 5.173 5.989 4.941 159 HB2 PHE 21 2HB PHE 21 5.925 7.470 2.432 160 HB3 PHE 21 1HB PHE 21 6.827 7.636 3.935 161 HD1 PHE 21 1HD PHE 21 5.845 5.248 1.271 162 HD2 PHE 21 2HD PHE 21 8.300 5.960 4.680 163 HE1 PHE 21 1HE PHE 21 7.176 3.257 0.729 164 HE2 PHE 21 2HE PHE 21 9.627 3.963 4.138 165 HZ PHE 21 HZ PHE 21 9.068 2.610 2.160 166 H LYS 22 H LYS 22 5.665 7.783 6.262 167 HA LYS 22 HA LYS 22 3.411 9.347 6.876 168 HB2 LYS 22 2HB LYS 22 6.288 9.530 7.786 169 HB3 LYS 22 1HB LYS 22 4.982 10.475 8.490 170 HG2 LYS 22 2HG LYS 22 3.877 8.460 9.229 171 HG3 LYS 22 1HG LYS 22 5.102 7.467 8.435 172 HD2 LYS 22 2HD LYS 22 5.511 7.642 10.840 173 HD3 LYS 22 1HD LYS 22 6.813 8.384 9.909 174 HE2 LYS 22 2HE LYS 22 6.240 9.788 11.799 175 HE3 LYS 22 1HE LYS 22 5.807 10.590 10.290 176 HZ1 LYS 22 3HZ LYS 22 4.085 10.782 12.022 177 HZ2 LYS 22 1HZ LYS 22 3.892 9.097 12.008 178 HZ3 LYS 22 2HZ LYS 22 3.514 10.010 10.627 179 H ASP 23 H ASP 23 6.042 9.905 4.735 180 HA ASP 23 HA ASP 23 5.669 12.787 4.716 181 HB2 ASP 23 2HB ASP 23 7.638 12.931 3.418 182 HB3 ASP 23 1HB ASP 23 7.973 11.638 4.561 183 H GLY 24 H GLY 24 4.194 10.172 3.534 184 HA2 GLY 24 2HA GLY 24 2.307 10.425 2.187 185 HA3 GLY 24 1HA GLY 24 3.120 11.709 1.334 186 H LYS 25 H LYS 25 5.522 9.487 1.380 187 HA LYS 25 HA LYS 25 5.063 8.711 -1.290 188 HB2 LYS 25 2HB LYS 25 7.037 7.826 0.783 189 HB3 LYS 25 1HB LYS 25 7.003 7.150 -0.840 190 HG2 LYS 25 2HG LYS 25 7.289 9.426 -1.739 191 HG3 LYS 25 1HG LYS 25 7.466 10.003 -0.086 192 HD2 LYS 25 2HD LYS 25 9.198 7.983 -1.472 193 HD3 LYS 25 1HD LYS 25 9.643 9.645 -1.092 194 HE2 LYS 25 2HE LYS 25 9.456 9.153 1.299 195 HE3 LYS 25 1HE LYS 25 8.977 7.498 0.926 196 HZ1 LYS 25 3HZ LYS 25 11.318 7.635 1.501 197 HZ2 LYS 25 1HZ LYS 25 11.589 8.737 0.239 198 HZ3 LYS 25 2HZ LYS 25 11.129 7.143 -0.111 199 H MET 26 H MET 26 5.330 6.439 -1.960 200 HA MET 26 HA MET 26 4.191 4.458 -0.140 201 HB2 MET 26 2HB MET 26 3.372 4.770 -3.036 202 HB3 MET 26 1HB MET 26 2.883 3.462 -1.969 203 HG2 MET 26 2HG MET 26 1.043 4.779 -1.813 204 HG3 MET 26 1HG MET 26 1.991 5.458 -0.494 205 HE1 MET 26 3HE MET 26 2.442 5.855 -4.378 206 HE2 MET 26 1HE MET 26 1.581 7.365 -4.675 207 HE3 MET 26 2HE MET 26 0.694 5.931 -4.153 208 H GLY 27 H GLY 27 5.285 2.602 -0.141 209 HA2 GLY 27 2HA GLY 27 7.256 2.169 -2.290 210 HA3 GLY 27 1HA GLY 27 7.710 2.030 -0.603 211 H MET 28 H MET 28 7.687 0.049 -2.842 212 HA MET 28 HA MET 28 5.900 -1.942 -1.615 213 HB2 MET 28 2HB MET 28 5.114 -1.130 -3.805 214 HB3 MET 28 1HB MET 28 6.637 -1.616 -4.528 215 HG2 MET 28 2HG MET 28 6.140 -3.945 -4.060 216 HG3 MET 28 1HG MET 28 4.632 -3.475 -3.275 217 HE1 MET 28 3HE MET 28 3.581 -5.183 -6.718 218 HE2 MET 28 1HE MET 28 3.499 -5.315 -4.962 219 HE3 MET 28 2HE MET 28 5.033 -5.575 -5.795 220 H GLU 29 H GLU 29 6.727 -3.948 -1.216 221 HA GLU 29 HA GLU 29 9.565 -4.407 -1.940 222 HB2 GLU 29 2HB GLU 29 8.119 -5.928 0.221 223 HB3 GLU 29 1HB GLU 29 9.847 -5.783 -0.038 224 HG2 GLU 29 2HG GLU 29 8.031 -3.610 0.945 225 HG3 GLU 29 1HG GLU 29 9.091 -4.609 1.934 226 H ASN 30 H ASN 30 10.091 -6.589 -2.634 227 HA ASN 30 HA ASN 30 7.817 -8.089 -3.670 228 HB2 ASN 30 2HB ASN 30 9.528 -9.636 -4.582 229 HB3 ASN 30 1HB ASN 30 9.800 -7.968 -5.070 230 HD21 ASN 30 1HD2 ASN 30 11.963 -8.509 -5.508 231 HD22 ASN 30 2HD2 ASN 30 13.111 -8.678 -4.224 232 H LYS 31 H LYS 31 7.488 -10.387 -3.114 233 HA LYS 31 HA LYS 31 7.400 -11.156 -0.531 234 HB2 LYS 31 2HB LYS 31 7.232 -13.432 -1.259 235 HB3 LYS 31 1HB LYS 31 6.429 -12.381 -2.409 236 HG2 LYS 31 2HG LYS 31 8.343 -12.549 -3.910 237 HG3 LYS 31 1HG LYS 31 9.141 -13.624 -2.758 238 HD2 LYS 31 2HD LYS 31 8.081 -14.939 -4.490 239 HD3 LYS 31 1HD LYS 31 7.245 -15.187 -2.955 240 HE2 LYS 31 2HE LYS 31 5.572 -13.487 -3.666 241 HE3 LYS 31 1HE LYS 31 6.366 -13.434 -5.242 242 HZ1 LYS 31 3HZ LYS 31 5.809 -15.691 -5.635 243 HZ2 LYS 31 1HZ LYS 31 4.384 -14.912 -5.126 244 HZ3 LYS 31 2HZ LYS 31 5.245 -15.905 -4.051 245 H PHE 32 H PHE 32 10.353 -10.471 -1.911 246 HA PHE 32 HA PHE 32 11.767 -12.506 -0.335 247 HB2 PHE 32 2HB PHE 32 12.866 -10.773 -2.565 248 HB3 PHE 32 1HB PHE 32 13.703 -12.092 -1.751 249 HD1 PHE 32 1HD PHE 32 12.954 -14.432 -2.110 250 HD2 PHE 32 2HD PHE 32 11.365 -11.174 -4.345 251 HE1 PHE 32 1HE PHE 32 12.086 -16.009 -3.785 252 HE2 PHE 32 2HE PHE 32 10.489 -12.751 -6.024 253 HZ PHE 32 HZ PHE 32 10.853 -15.171 -5.746 254 H GLY 33 H GLY 33 10.656 -9.412 -0.119 255 HA2 GLY 33 2HA GLY 33 11.026 -8.010 1.676 256 HA3 GLY 33 1HA GLY 33 12.490 -8.900 2.037 257 H LYS 34 H LYS 34 11.926 -7.723 -1.167 258 HA LYS 34 HA LYS 34 14.058 -5.738 -0.709 259 HB2 LYS 34 2HB LYS 34 13.319 -7.178 -3.244 260 HB3 LYS 34 1HB LYS 34 14.540 -5.923 -3.114 261 HG2 LYS 34 2HG LYS 34 14.587 -8.631 -1.818 262 HG3 LYS 34 1HG LYS 34 15.562 -8.038 -3.151 263 HD2 LYS 34 2HD LYS 34 15.614 -6.919 -0.364 264 HD3 LYS 34 1HD LYS 34 16.799 -8.051 -1.017 265 HE2 LYS 34 2HE LYS 34 16.218 -5.297 -2.092 266 HE3 LYS 34 1HE LYS 34 17.595 -5.732 -1.081 267 HZ1 LYS 34 3HZ LYS 34 18.219 -5.662 -3.403 268 HZ2 LYS 34 1HZ LYS 34 17.024 -6.796 -3.797 269 HZ3 LYS 34 2HZ LYS 34 18.336 -7.252 -2.824 270 H SER 35 H SER 35 13.962 -3.803 -1.630 271 HA SER 35 HA SER 35 11.248 -2.795 -1.872 272 HB2 SER 35 2HB SER 35 13.862 -1.287 -1.785 273 HB3 SER 35 1HB SER 35 12.246 -0.596 -1.627 274 HG SER 35 HG SER 35 12.146 -2.301 0.192 275 H MET 36 H MET 36 10.298 -2.364 -3.712 276 HA MET 36 HA MET 36 11.917 -1.682 -6.048 277 HB2 MET 36 2HB MET 36 10.308 -3.219 -7.387 278 HB3 MET 36 1HB MET 36 11.667 -3.938 -6.538 279 HG2 MET 36 2HG MET 36 9.936 -5.369 -6.033 280 HG3 MET 36 1HG MET 36 9.989 -4.317 -4.621 281 HE1 MET 36 3HE MET 36 6.744 -4.372 -7.878 282 HE2 MET 36 1HE MET 36 8.013 -5.579 -7.658 283 HE3 MET 36 2HE MET 36 8.417 -3.974 -8.270 284 H ASN 37 H ASN 37 10.174 -1.231 -7.949 285 HA ASN 37 HA ASN 37 8.602 0.938 -6.798 286 HB2 ASN 37 2HB ASN 37 8.423 1.778 -9.120 287 HB3 ASN 37 1HB ASN 37 10.095 1.546 -8.625 288 HD21 ASN 37 1HD2 ASN 37 11.325 -0.053 -9.604 289 HD22 ASN 37 2HD2 ASN 37 10.808 -0.874 -11.043 290 H MET 38 H MET 38 6.426 1.206 -7.088 291 HA MET 38 HA MET 38 4.976 -1.281 -7.439 292 HB2 MET 38 2HB MET 38 4.534 0.177 -5.485 293 HB3 MET 38 1HB MET 38 3.990 1.445 -6.573 294 HG2 MET 38 2HG MET 38 2.143 0.054 -7.310 295 HG3 MET 38 1HG MET 38 2.706 -1.265 -6.287 296 HE1 MET 38 3HE MET 38 -0.553 -0.152 -4.452 297 HE2 MET 38 1HE MET 38 0.345 -1.505 -5.141 298 HE3 MET 38 2HE MET 38 -0.272 -0.228 -6.191 299 HA PRO 39 HA PRO 39 3.819 -0.169 -11.582 300 HB2 PRO 39 2HB PRO 39 2.208 -2.284 -12.069 301 HB3 PRO 39 1HB PRO 39 3.969 -2.414 -12.041 302 HG2 PRO 39 2HG PRO 39 1.981 -3.129 -9.923 303 HG3 PRO 39 1HG PRO 39 3.433 -4.006 -10.435 304 HD2 PRO 39 2HD PRO 39 3.333 -2.426 -8.211 305 HD3 PRO 39 1HD PRO 39 4.818 -2.715 -9.139 306 H GLU 40 H GLU 40 2.392 1.322 -12.134 307 HA GLU 40 HA GLU 40 0.008 1.751 -10.588 308 HB2 GLU 40 2HB GLU 40 1.387 3.617 -11.452 309 HB3 GLU 40 1HB GLU 40 0.965 3.151 -13.094 310 HG2 GLU 40 2HG GLU 40 -1.389 3.587 -12.607 311 HG3 GLU 40 1HG GLU 40 -0.955 4.065 -10.971 312 H GLY 41 H GLY 41 -2.040 1.231 -11.071 313 HA2 GLY 41 2HA GLY 41 -3.774 1.123 -12.787 314 HA3 GLY 41 1HA GLY 41 -2.612 0.307 -13.812 315 H LYS 42 H LYS 42 -1.926 -1.161 -11.084 316 HA LYS 42 HA LYS 42 -3.914 -3.272 -11.565 317 HB2 LYS 42 2HB LYS 42 -1.174 -3.359 -10.331 318 HB3 LYS 42 1HB LYS 42 -2.276 -4.723 -10.346 319 HG2 LYS 42 2HG LYS 42 -2.284 -4.585 -12.845 320 HG3 LYS 42 1HG LYS 42 -1.003 -3.378 -12.715 321 HD2 LYS 42 2HD LYS 42 -0.114 -5.639 -13.126 322 HD3 LYS 42 1HD LYS 42 0.429 -4.983 -11.579 323 HE2 LYS 42 2HE LYS 42 -1.260 -6.275 -10.413 324 HE3 LYS 42 1HE LYS 42 -1.889 -6.880 -11.944 325 HZ1 LYS 42 3HZ LYS 42 0.127 -8.060 -12.325 326 HZ2 LYS 42 1HZ LYS 42 -0.410 -8.453 -10.766 327 HZ3 LYS 42 2HZ LYS 42 0.876 -7.365 -10.975 328 H VAL 43 H VAL 43 -5.412 -3.684 -10.094 329 HA VAL 43 HA VAL 43 -4.997 -2.702 -7.385 330 HB VAL 43 HB VAL 43 -7.212 -2.256 -8.306 331 HG11 VAL 43 1HG1 VAL 43 -7.518 -5.242 -8.503 332 HG12 VAL 43 2HG1 VAL 43 -7.457 -4.100 -9.846 333 HG13 VAL 43 3HG1 VAL 43 -8.813 -4.066 -8.714 334 HG21 VAL 43 3HG2 VAL 43 -7.284 -4.307 -6.100 335 HG22 VAL 43 1HG2 VAL 43 -8.566 -3.159 -6.481 336 HG23 VAL 43 2HG2 VAL 43 -7.004 -2.577 -5.906 337 H MET 44 H MET 44 -4.290 -3.914 -5.829 338 HA MET 44 HA MET 44 -4.140 -6.821 -6.287 339 HB2 MET 44 2HB MET 44 -2.082 -4.977 -5.066 340 HB3 MET 44 1HB MET 44 -1.998 -6.733 -4.971 341 HG2 MET 44 2HG MET 44 -1.860 -6.886 -7.384 342 HG3 MET 44 1HG MET 44 -2.049 -5.143 -7.527 343 HE1 MET 44 3HE MET 44 -0.230 -3.972 -5.252 344 HE2 MET 44 1HE MET 44 -0.208 -3.387 -6.916 345 HE3 MET 44 2HE MET 44 1.305 -3.784 -6.102 346 H GLU 45 H GLU 45 -4.107 -8.115 -4.323 347 HA GLU 45 HA GLU 45 -5.696 -6.752 -2.278 348 HB2 GLU 45 2HB GLU 45 -5.881 -9.445 -3.466 349 HB3 GLU 45 1HB GLU 45 -6.201 -9.329 -1.737 350 HG2 GLU 45 2HG GLU 45 -7.863 -7.585 -2.174 351 HG3 GLU 45 1HG GLU 45 -7.568 -7.755 -3.906 352 H THR 46 H THR 46 -5.573 -7.466 -0.178 353 HA THR 46 HA THR 46 -2.796 -7.989 0.636 354 HB THR 46 HB THR 46 -3.381 -6.771 2.717 355 HG1 THR 46 1HG THR 46 -5.706 -5.939 1.319 356 HG21 THR 46 3HG2 THR 46 -3.901 -5.173 0.201 357 HG22 THR 46 1HG2 THR 46 -2.302 -5.612 0.807 358 HG23 THR 46 2HG2 THR 46 -3.338 -4.543 1.748 359 H ARG 47 H ARG 47 -2.505 -9.145 2.673 360 HA ARG 47 HA ARG 47 -3.864 -11.565 2.765 361 HB2 ARG 47 2HB ARG 47 -2.182 -10.165 4.830 362 HB3 ARG 47 1HB ARG 47 -2.759 -11.811 5.007 363 HG2 ARG 47 2HG ARG 47 -1.587 -12.344 2.851 364 HG3 ARG 47 1HG ARG 47 -0.874 -10.732 2.933 365 HD2 ARG 47 2HD ARG 47 0.048 -11.330 5.170 366 HD3 ARG 47 1HD ARG 47 -0.538 -12.975 4.915 367 HE ARG 47 HE ARG 47 1.485 -11.644 3.227 368 HH11 ARG 47 1HH1 ARG 47 0.179 -14.490 4.804 369 HH12 ARG 47 2HH1 ARG 47 1.376 -15.566 4.138 370 HH21 ARG 47 1HH2 ARG 47 3.065 -13.044 2.356 371 HH22 ARG 47 2HH2 ARG 47 3.019 -14.737 2.745 372 H ASP 48 H ASP 48 -4.726 -8.543 4.186 373 HA ASP 48 HA ASP 48 -6.397 -9.850 6.197 374 HB2 ASP 48 2HB ASP 48 -6.534 -7.707 7.271 375 HB3 ASP 48 1HB ASP 48 -4.851 -8.013 6.830 376 H GLY 49 H GLY 49 -6.636 -8.801 3.080 377 HA2 GLY 49 2HA GLY 49 -8.634 -9.354 1.893 378 HA3 GLY 49 1HA GLY 49 -9.558 -8.960 3.332 379 H THR 50 H THR 50 -7.113 -6.708 2.574 380 HA THR 50 HA THR 50 -9.144 -4.789 1.746 381 HB THR 50 HB THR 50 -6.253 -4.447 2.584 382 HG1 THR 50 1HG THR 50 -7.195 -4.693 4.479 383 HG21 THR 50 3HG2 THR 50 -8.349 -2.355 2.011 384 HG22 THR 50 1HG2 THR 50 -6.891 -2.661 1.067 385 HG23 THR 50 2HG2 THR 50 -6.761 -2.044 2.713 386 H LYS 51 H LYS 51 -8.981 -3.614 -0.189 387 HA LYS 51 HA LYS 51 -7.167 -4.774 -2.200 388 HB2 LYS 51 2HB LYS 51 -9.763 -3.272 -2.612 389 HB3 LYS 51 1HB LYS 51 -8.740 -3.907 -3.891 390 HG2 LYS 51 2HG LYS 51 -9.146 -6.186 -3.058 391 HG3 LYS 51 1HG LYS 51 -10.222 -5.519 -1.825 392 HD2 LYS 51 2HD LYS 51 -11.703 -4.653 -3.523 393 HD3 LYS 51 1HD LYS 51 -10.590 -5.149 -4.796 394 HE2 LYS 51 2HE LYS 51 -12.426 -6.714 -4.649 395 HE3 LYS 51 1HE LYS 51 -10.928 -7.497 -4.150 396 HZ1 LYS 51 3HZ LYS 51 -12.822 -8.020 -2.703 397 HZ2 LYS 51 1HZ LYS 51 -12.955 -6.385 -2.283 398 HZ3 LYS 51 2HZ LYS 51 -11.563 -7.264 -1.861 399 H ILE 52 H ILE 52 -5.698 -3.484 -3.182 400 HA ILE 52 HA ILE 52 -5.943 -0.580 -2.856 401 HB ILE 52 HB ILE 52 -3.501 -0.433 -2.370 402 HG12 ILE 52 2HG1 ILE 52 -3.741 -3.406 -1.860 403 HG13 ILE 52 1HG1 ILE 52 -2.903 -2.680 -3.230 404 HG21 ILE 52 1HG2 ILE 52 -5.129 -1.951 -0.337 405 HG22 ILE 52 2HG2 ILE 52 -5.138 -0.207 -0.586 406 HG23 ILE 52 3HG2 ILE 52 -3.682 -1.003 -0.001 407 HD11 ILE 52 3HD1 ILE 52 -1.311 -3.332 -1.557 408 HD12 ILE 52 1HD1 ILE 52 -2.167 -2.404 -0.328 409 HD13 ILE 52 2HD1 ILE 52 -1.365 -1.573 -1.660 410 H ILE 53 H ILE 53 -4.687 0.655 -4.323 411 HA ILE 53 HA ILE 53 -3.143 -0.621 -6.391 412 HB ILE 53 HB ILE 53 -5.199 -1.014 -7.551 413 HG12 ILE 53 2HG1 ILE 53 -3.751 1.411 -8.612 414 HG13 ILE 53 1HG1 ILE 53 -3.565 -0.270 -9.091 415 HG21 ILE 53 1HG2 ILE 53 -6.833 0.761 -8.038 416 HG22 ILE 53 2HG2 ILE 53 -5.909 1.866 -7.018 417 HG23 ILE 53 3HG2 ILE 53 -6.675 0.442 -6.313 418 HD11 ILE 53 3HD1 ILE 53 -5.996 1.428 -9.605 419 HD12 ILE 53 1HD1 ILE 53 -5.744 -0.231 -10.153 420 HD13 ILE 53 2HD1 ILE 53 -4.725 1.073 -10.775 421 H MET 54 H MET 54 -2.004 0.900 -7.693 422 HA MET 54 HA MET 54 -1.968 3.610 -6.546 423 HB2 MET 54 2HB MET 54 0.163 2.401 -6.270 424 HB3 MET 54 1HB MET 54 0.219 2.091 -7.998 425 HG2 MET 54 2HG MET 54 0.418 4.471 -8.437 426 HG3 MET 54 1HG MET 54 0.310 4.806 -6.709 427 HE1 MET 54 3HE MET 54 2.578 6.243 -6.902 428 HE2 MET 54 1HE MET 54 2.656 5.867 -8.623 429 HE3 MET 54 2HE MET 54 4.067 5.605 -7.598 430 H LYS 55 H LYS 55 -2.882 5.056 -7.827 431 HA LYS 55 HA LYS 55 -2.559 4.799 -10.722 432 HB2 LYS 55 2HB LYS 55 -5.068 4.515 -9.300 433 HB3 LYS 55 1HB LYS 55 -5.120 5.875 -10.413 434 HG2 LYS 55 2HG LYS 55 -4.486 3.009 -11.081 435 HG3 LYS 55 1HG LYS 55 -5.922 3.923 -11.538 436 HD2 LYS 55 2HD LYS 55 -3.098 4.507 -12.434 437 HD3 LYS 55 1HD LYS 55 -4.352 3.735 -13.408 438 HE2 LYS 55 2HE LYS 55 -5.671 5.718 -13.421 439 HE3 LYS 55 1HE LYS 55 -4.640 6.483 -12.215 440 HZ1 LYS 55 3HZ LYS 55 -3.968 5.871 -15.039 441 HZ2 LYS 55 1HZ LYS 55 -2.809 6.350 -13.894 442 HZ3 LYS 55 2HZ LYS 55 -4.080 7.392 -14.305 443 H GLY 56 H GLY 56 -2.173 6.673 -11.730 444 HA2 GLY 56 2HA GLY 56 -1.664 8.896 -11.987 445 HA3 GLY 56 1HA GLY 56 -2.945 9.223 -10.825 446 H ASN 57 H ASN 57 -0.170 7.231 -10.139 447 HA ASN 57 HA ASN 57 1.446 7.324 -8.563 448 HB2 ASN 57 2HB ASN 57 1.296 10.221 -9.345 449 HB3 ASN 57 1HB ASN 57 2.368 9.696 -8.050 450 HD21 ASN 57 1HD2 ASN 57 1.616 7.697 -10.817 451 HD22 ASN 57 2HD2 ASN 57 3.186 7.774 -11.537 452 H GLU 58 H GLU 58 -1.402 7.555 -7.852 453 HA GLU 58 HA GLU 58 -1.002 8.406 -5.055 454 HB2 GLU 58 2HB GLU 58 -3.471 8.602 -6.770 455 HB3 GLU 58 1HB GLU 58 -3.528 8.702 -5.017 456 HG2 GLU 58 2HG GLU 58 -2.029 10.642 -5.090 457 HG3 GLU 58 1HG GLU 58 -2.024 10.552 -6.851 458 H ILE 59 H ILE 59 -1.961 7.104 -3.461 459 HA ILE 59 HA ILE 59 -2.381 4.361 -4.369 460 HB ILE 59 HB ILE 59 -1.090 5.538 -2.079 461 HG12 ILE 59 2HG1 ILE 59 -0.148 3.866 -3.643 462 HG13 ILE 59 1HG1 ILE 59 -0.010 3.380 -1.958 463 HG21 ILE 59 1HG2 ILE 59 -3.115 5.066 -0.834 464 HG22 ILE 59 2HG2 ILE 59 -1.828 3.960 -0.350 465 HG23 ILE 59 3HG2 ILE 59 -3.115 3.402 -1.420 466 HD11 ILE 59 3HD1 ILE 59 -2.069 2.382 -3.914 467 HD12 ILE 59 1HD1 ILE 59 -1.920 1.892 -2.226 468 HD13 ILE 59 2HD1 ILE 59 -0.635 1.510 -3.373 469 H PHE 60 H PHE 60 -4.331 3.661 -4.638 470 HA PHE 60 HA PHE 60 -6.608 4.659 -3.153 471 HB2 PHE 60 2HB PHE 60 -7.348 4.040 -5.231 472 HB3 PHE 60 1HB PHE 60 -6.111 2.814 -5.430 473 HD1 PHE 60 1HD PHE 60 -6.500 0.517 -4.502 474 HD2 PHE 60 2HD PHE 60 -9.502 3.524 -4.422 475 HE1 PHE 60 1HE PHE 60 -8.215 -1.188 -4.004 476 HE2 PHE 60 2HE PHE 60 -11.202 1.847 -3.935 477 HZ PHE 60 HZ PHE 60 -10.478 -0.674 -3.998 478 H ARG 61 H ARG 61 -6.708 4.118 -1.117 479 HA ARG 61 HA ARG 61 -6.445 1.269 -0.497 480 HB2 ARG 61 2HB ARG 61 -4.700 2.690 0.666 481 HB3 ARG 61 1HB ARG 61 -6.012 3.527 1.483 482 HG2 ARG 61 2HG ARG 61 -5.943 0.574 1.693 483 HG3 ARG 61 1HG ARG 61 -4.722 1.485 2.579 484 HD2 ARG 61 2HD ARG 61 -7.638 2.175 2.783 485 HD3 ARG 61 1HD ARG 61 -6.933 0.897 3.772 486 HE ARG 61 HE ARG 61 -5.482 3.372 3.908 487 HH11 ARG 61 1HH1 ARG 61 -8.197 1.585 5.245 488 HH12 ARG 61 2HH1 ARG 61 -8.175 2.456 6.746 489 HH21 ARG 61 1HH2 ARG 61 -5.445 4.476 5.909 490 HH22 ARG 61 2HH2 ARG 61 -6.614 4.064 7.129 491 H LEU 62 H LEU 62 -8.373 0.476 -0.126 492 HA LEU 62 HA LEU 62 -10.714 0.398 -0.186 493 HB2 LEU 62 2HB LEU 62 -9.998 2.314 1.952 494 HB3 LEU 62 1HB LEU 62 -11.665 2.329 1.421 495 HG LEU 62 HG LEU 62 -11.249 0.951 3.411 496 HD11 LEU 62 1HD1 LEU 62 -12.223 -0.480 0.937 497 HD12 LEU 62 2HD1 LEU 62 -13.181 0.538 2.012 498 HD13 LEU 62 3HD1 LEU 62 -12.539 -1.001 2.593 499 HD21 LEU 62 3HD2 LEU 62 -9.721 -0.812 1.497 500 HD22 LEU 62 1HD2 LEU 62 -10.153 -1.222 3.158 501 HD23 LEU 62 2HD2 LEU 62 -9.034 0.105 2.838 502 H ASP 63 H ASP 63 -9.313 3.552 -0.641 503 HA ASP 63 HA ASP 63 -9.850 5.381 -1.839 504 HB2 ASP 63 2HB ASP 63 -10.727 4.352 -3.727 505 HB3 ASP 63 1HB ASP 63 -12.043 3.617 -2.826 506 H GLU 64 H GLU 64 -12.595 3.878 -0.282 507 HA GLU 64 HA GLU 64 -13.814 6.279 0.596 508 HB2 GLU 64 2HB GLU 64 -14.052 3.474 1.704 509 HB3 GLU 64 1HB GLU 64 -15.130 4.814 2.080 510 HG2 GLU 64 2HG GLU 64 -15.849 4.924 -0.224 511 HG3 GLU 64 1HG GLU 64 -14.703 3.662 -0.667 512 H ALA 65 H ALA 65 -11.239 4.309 1.842 513 HA ALA 65 HA ALA 65 -11.257 5.185 4.522 514 HB1 ALA 65 1HB ALA 65 -10.020 3.198 3.616 515 HB2 ALA 65 2HB ALA 65 -9.081 4.235 4.700 516 HB3 ALA 65 3HB ALA 65 -8.830 4.329 2.957 517 H LEU 66 H LEU 66 -9.422 6.309 1.697 518 HA LEU 66 HA LEU 66 -8.298 8.548 3.092 519 HB2 LEU 66 2HB LEU 66 -8.541 8.024 0.129 520 HB3 LEU 66 1HB LEU 66 -7.594 9.312 0.852 521 HG LEU 66 HG LEU 66 -6.680 6.988 2.095 522 HD11 LEU 66 1HD1 LEU 66 -6.044 5.558 0.204 523 HD12 LEU 66 2HD1 LEU 66 -7.050 6.542 -0.858 524 HD13 LEU 66 3HD1 LEU 66 -7.791 5.614 0.447 525 HD21 LEU 66 3HD2 LEU 66 -5.537 8.549 -0.214 526 HD22 LEU 66 1HD2 LEU 66 -4.636 7.449 0.828 527 HD23 LEU 66 2HD2 LEU 66 -5.343 8.919 1.500 528 H ARG 67 H ARG 67 -11.101 7.916 1.163 529 HA ARG 67 HA ARG 67 -12.050 10.433 0.558 530 HB2 ARG 67 2HB ARG 67 -13.112 8.505 -0.332 531 HB3 ARG 67 1HB ARG 67 -13.452 7.872 1.266 532 HG2 ARG 67 2HG ARG 67 -15.066 9.663 1.634 533 HG3 ARG 67 1HG ARG 67 -14.727 10.277 0.015 534 HD2 ARG 67 2HD ARG 67 -15.566 8.300 -1.004 535 HD3 ARG 67 1HD ARG 67 -15.668 7.473 0.550 536 HE ARG 67 HE ARG 67 -17.301 9.869 0.180 537 HH11 ARG 67 1HH1 ARG 67 -17.088 6.372 0.291 538 HH12 ARG 67 2HH1 ARG 67 -18.783 6.144 0.576 539 HH21 ARG 67 1HH2 ARG 67 -19.557 9.567 0.484 540 HH22 ARG 67 2HH2 ARG 67 -20.194 7.952 0.635 541 H LYS 68 H LYS 68 -13.076 8.505 3.409 542 HA LYS 68 HA LYS 68 -13.107 10.915 5.028 543 HB2 LYS 68 2HB LYS 68 -15.444 10.703 5.668 544 HB3 LYS 68 1HB LYS 68 -15.297 10.990 3.941 545 HG2 LYS 68 2HG LYS 68 -15.703 8.641 3.495 546 HG3 LYS 68 1HG LYS 68 -15.771 8.307 5.228 547 HD2 LYS 68 2HD LYS 68 -17.696 9.859 5.403 548 HD3 LYS 68 1HD LYS 68 -17.656 10.054 3.650 549 HE2 LYS 68 2HE LYS 68 -18.092 7.681 3.358 550 HE3 LYS 68 1HE LYS 68 -18.066 7.442 5.106 551 HZ1 LYS 68 3HZ LYS 68 -19.979 8.937 5.281 552 HZ2 LYS 68 1HZ LYS 68 -20.329 7.595 4.302 553 HZ3 LYS 68 2HZ LYS 68 -20.016 9.103 3.596 554 H GLY 69 H GLY 69 -12.282 7.860 4.782 555 HA2 GLY 69 2HA GLY 69 -13.219 6.947 7.400 556 HA3 GLY 69 1HA GLY 69 -12.406 5.962 6.193 557 H HIS 70 H HIS 70 -11.650 8.953 7.992 558 HA HIS 70 HA HIS 70 -8.885 8.082 8.207 559 HB2 HIS 70 2HB HIS 70 -10.255 10.640 9.061 560 HB3 HIS 70 1HB HIS 70 -8.542 10.317 9.302 561 HD1 HIS 70 1HD HIS 70 -10.614 12.115 7.139 562 HD2 HIS 70 2HD HIS 70 -7.397 9.543 6.530 563 HE1 HIS 70 1HE HIS 70 -9.732 12.656 4.844 564 HE2 HIS 70 2HE HIS 70 -7.667 11.231 4.586 565 H SER 71 H SER 71 -9.673 6.218 9.522 566 HA SER 71 HA SER 71 -9.021 6.720 12.257 567 HB2 SER 71 2HB SER 71 -11.491 7.290 12.154 568 HB3 SER 71 1HB SER 71 -11.786 5.599 11.745 569 HG SER 71 HG SER 71 -10.896 6.735 14.149 570 H GLU 72 H GLU 72 -7.487 5.197 12.249 571 HA GLU 72 HA GLU 72 -8.322 2.442 11.622 572 HB2 GLU 72 2HB GLU 72 -6.817 3.403 9.864 573 HB3 GLU 72 1HB GLU 72 -5.583 3.622 11.098 574 HG2 GLU 72 2HG GLU 72 -5.619 1.182 11.500 575 HG3 GLU 72 1HG GLU 72 -6.755 1.011 10.165 576 H GLY 73 H GLY 73 -7.350 0.805 12.911 577 HA2 GLY 73 2HA GLY 73 -6.759 1.700 15.594 578 HA3 GLY 73 1HA GLY 73 -6.924 0.034 15.055 579 H GLY 74 H GLY 74 -4.769 2.543 15.847 580 HA2 GLY 74 2HA GLY 74 -2.546 0.676 15.539 581 HA3 GLY 74 1HA GLY 74 -2.404 2.234 14.731 Start of MODEL 7 1 H1 VAL 1 1HT VAL 1 14.202 2.007 3.299 2 H2 VAL 1 2HT VAL 1 13.504 0.887 2.241 3 H3 VAL 1 3HT VAL 1 13.574 0.551 3.903 4 HA VAL 1 HA VAL 1 12.007 2.685 2.582 5 HB VAL 1 HB VAL 1 10.038 1.472 3.529 6 HG11 VAL 1 2HG1 VAL 1 10.614 1.251 1.182 7 HG12 VAL 1 3HG1 VAL 1 9.990 -0.277 1.805 8 HG13 VAL 1 1HG1 VAL 1 11.725 -0.065 1.560 9 HG21 VAL 1 1HG2 VAL 1 11.165 0.185 5.260 10 HG22 VAL 1 2HG2 VAL 1 12.045 -0.724 4.032 11 HG23 VAL 1 3HG2 VAL 1 10.293 -0.881 4.158 12 H ASP 2 H ASP 2 13.282 1.362 5.564 13 HA ASP 2 HA ASP 2 13.398 2.134 7.684 14 HB2 ASP 2 2HB ASP 2 12.560 4.760 6.435 15 HB3 ASP 2 1HB ASP 2 13.076 4.574 8.108 16 H MET 3 H MET 3 12.039 1.608 9.289 17 HA MET 3 HA MET 3 9.227 1.516 8.550 18 HB2 MET 3 2HB MET 3 10.588 0.285 10.937 19 HB3 MET 3 1HB MET 3 8.987 -0.082 10.323 20 HG2 MET 3 2HG MET 3 11.635 -0.720 9.079 21 HG3 MET 3 1HG MET 3 10.392 -1.837 9.628 22 HE1 MET 3 3HE MET 3 7.783 -0.285 8.448 23 HE2 MET 3 1HE MET 3 7.993 -2.035 8.424 24 HE3 MET 3 2HE MET 3 7.571 -1.177 6.942 25 H SER 4 H SER 4 10.747 3.953 9.709 26 HA SER 4 HA SER 4 9.007 4.432 12.018 27 HB2 SER 4 2HB SER 4 11.370 6.041 11.027 28 HB3 SER 4 1HB SER 4 10.466 6.339 12.513 29 HG SER 4 HG SER 4 12.465 4.568 12.024 30 H ASN 5 H ASN 5 9.514 5.360 8.725 31 HA ASN 5 HA ASN 5 7.754 7.686 9.034 32 HB2 ASN 5 2HB ASN 5 8.420 8.182 6.655 33 HB3 ASN 5 1HB ASN 5 9.711 8.263 7.834 34 HD21 ASN 5 1HD2 ASN 5 8.427 5.271 6.586 35 HD22 ASN 5 2HD2 ASN 5 9.860 4.806 5.729 36 H VAL 6 H VAL 6 7.119 4.680 8.840 37 HA VAL 6 HA VAL 6 5.327 4.824 6.524 38 HB VAL 6 HB VAL 6 6.847 2.898 6.588 39 HG11 VAL 6 1HG1 VAL 6 7.106 2.601 8.967 40 HG12 VAL 6 2HG1 VAL 6 6.509 1.108 8.240 41 HG13 VAL 6 3HG1 VAL 6 5.405 2.159 9.127 42 HG21 VAL 6 3HG2 VAL 6 3.954 2.166 6.985 43 HG22 VAL 6 1HG2 VAL 6 5.173 1.172 6.187 44 HG23 VAL 6 2HG2 VAL 6 4.690 2.715 5.480 45 H VAL 7 H VAL 7 3.188 5.013 6.796 46 HA VAL 7 HA VAL 7 2.201 5.004 9.550 47 HB VAL 7 HB VAL 7 0.092 5.979 8.576 48 HG11 VAL 7 1HG1 VAL 7 1.752 7.351 9.677 49 HG12 VAL 7 2HG1 VAL 7 1.070 8.213 8.299 50 HG13 VAL 7 3HG1 VAL 7 2.672 7.484 8.179 51 HG21 VAL 7 3HG2 VAL 7 0.435 5.203 6.252 52 HG22 VAL 7 1HG2 VAL 7 1.790 6.331 6.106 53 HG23 VAL 7 2HG2 VAL 7 0.150 6.941 6.362 54 H LYS 8 H LYS 8 2.030 3.096 6.687 55 HA LYS 8 HA LYS 8 0.780 0.997 8.139 56 HB2 LYS 8 2HB LYS 8 -1.188 2.445 7.521 57 HB3 LYS 8 1HB LYS 8 -0.840 2.088 5.835 58 HG2 LYS 8 2HG LYS 8 -2.617 0.665 6.729 59 HG3 LYS 8 1HG LYS 8 -1.208 -0.279 6.235 60 HD2 LYS 8 2HD LYS 8 -0.459 -0.405 8.549 61 HD3 LYS 8 1HD LYS 8 -1.828 0.580 9.061 62 HE2 LYS 8 2HE LYS 8 -3.373 -1.149 8.338 63 HE3 LYS 8 1HE LYS 8 -2.030 -2.128 7.746 64 HZ1 LYS 8 3HZ LYS 8 -2.360 -1.295 10.578 65 HZ2 LYS 8 1HZ LYS 8 -1.215 -2.385 9.961 66 HZ3 LYS 8 2HZ LYS 8 -2.863 -2.795 9.970 67 H THR 9 H THR 9 1.069 -0.938 7.239 68 HA THR 9 HA THR 9 2.301 -1.038 4.575 69 HB THR 9 HB THR 9 3.014 -2.527 7.087 70 HG1 THR 9 1HG THR 9 5.037 -1.719 6.665 71 HG21 THR 9 3HG2 THR 9 2.790 -4.215 5.330 72 HG22 THR 9 1HG2 THR 9 4.481 -3.978 5.776 73 HG23 THR 9 2HG2 THR 9 3.853 -3.270 4.287 74 H TYR 10 H TYR 10 1.669 -2.707 3.234 75 HA TYR 10 HA TYR 10 -0.554 -4.366 4.183 76 HB2 TYR 10 2HB TYR 10 -0.321 -2.758 1.682 77 HB3 TYR 10 1HB TYR 10 -1.297 -4.228 1.698 78 HD1 TYR 10 2HD TYR 10 -2.881 -4.436 3.772 79 HD2 TYR 10 1HD TYR 10 -1.372 -0.777 2.248 80 HE1 TYR 10 2HE TYR 10 -4.721 -3.254 4.856 81 HE2 TYR 10 1HE TYR 10 -3.219 0.443 3.335 82 HH TYR 10 HH TYR 10 -5.306 -1.059 5.631 83 H ASP 11 H ASP 11 -0.543 -6.364 3.824 84 HA ASP 11 HA ASP 11 1.781 -7.505 2.454 85 HB2 ASP 11 2HB ASP 11 -0.198 -8.810 4.335 86 HB3 ASP 11 1HB ASP 11 1.188 -9.612 3.605 87 H LEU 12 H LEU 12 1.569 -8.345 0.610 88 HA LEU 12 HA LEU 12 -0.818 -8.124 -0.911 89 HB2 LEU 12 2HB LEU 12 1.940 -9.139 -1.407 90 HB3 LEU 12 1HB LEU 12 0.680 -9.521 -2.565 91 HG LEU 12 HG LEU 12 2.209 -7.415 -2.869 92 HD11 LEU 12 1HD1 LEU 12 0.433 -8.077 -4.388 93 HD12 LEU 12 2HD1 LEU 12 0.402 -6.333 -4.128 94 HD13 LEU 12 3HD1 LEU 12 -0.772 -7.368 -3.314 95 HD21 LEU 12 3HD2 LEU 12 1.119 -5.365 -2.045 96 HD22 LEU 12 1HD2 LEU 12 1.764 -6.365 -0.744 97 HD23 LEU 12 2HD2 LEU 12 0.032 -6.361 -1.075 98 H GLN 13 H GLN 13 0.355 -10.577 1.058 99 HA GLN 13 HA GLN 13 -0.936 -12.341 1.868 100 HB2 GLN 13 2HB GLN 13 -2.941 -11.675 0.597 101 HB3 GLN 13 1HB GLN 13 -2.261 -12.402 -0.849 102 HG2 GLN 13 2HG GLN 13 -2.309 -14.595 0.241 103 HG3 GLN 13 1HG GLN 13 -3.010 -13.856 1.679 104 HE21 GLN 13 1HE2 GLN 13 -5.140 -13.168 1.636 105 HE22 GLN 13 2HE2 GLN 13 -6.251 -13.644 0.395 106 H ASP 14 H ASP 14 0.812 -12.048 -1.064 107 HA ASP 14 HA ASP 14 1.594 -14.869 -1.034 108 HB2 ASP 14 2HB ASP 14 1.061 -13.807 -3.223 109 HB3 ASP 14 1HB ASP 14 2.388 -12.679 -2.974 110 H GLY 15 H GLY 15 2.799 -11.635 -0.484 111 HA2 GLY 15 2HA GLY 15 4.549 -12.100 1.475 112 HA3 GLY 15 1HA GLY 15 5.478 -12.580 0.080 113 H SER 16 H SER 16 4.260 -10.548 -1.646 114 HA SER 16 HA SER 16 6.125 -8.511 -1.342 115 HB2 SER 16 2HB SER 16 3.519 -7.919 -2.673 116 HB3 SER 16 1HB SER 16 5.162 -7.587 -3.222 117 HG SER 16 HG SER 16 4.443 -9.257 -4.473 118 H LYS 17 H LYS 17 6.045 -6.466 -0.466 119 HA LYS 17 HA LYS 17 3.814 -5.993 1.396 120 HB2 LYS 17 2HB LYS 17 6.756 -5.412 1.802 121 HB3 LYS 17 1HB LYS 17 5.472 -5.018 2.942 122 HG2 LYS 17 2HG LYS 17 4.980 -7.402 3.191 123 HG3 LYS 17 1HG LYS 17 6.286 -7.779 2.059 124 HD2 LYS 17 2HD LYS 17 7.916 -6.829 3.560 125 HD3 LYS 17 1HD LYS 17 6.641 -6.299 4.664 126 HE2 LYS 17 2HE LYS 17 6.006 -8.616 5.069 127 HE3 LYS 17 1HE LYS 17 7.242 -9.166 3.938 128 HZ1 LYS 17 3HZ LYS 17 8.937 -8.276 5.379 129 HZ2 LYS 17 1HZ LYS 17 7.951 -9.350 6.245 130 HZ3 LYS 17 2HZ LYS 17 7.768 -7.680 6.453 131 H VAL 18 H VAL 18 2.803 -4.109 1.153 132 HA VAL 18 HA VAL 18 4.170 -1.968 -0.351 133 HB VAL 18 HB VAL 18 1.218 -2.466 0.165 134 HG11 VAL 18 1HG1 VAL 18 1.698 -0.061 0.171 135 HG12 VAL 18 2HG1 VAL 18 0.796 -0.521 -1.271 136 HG13 VAL 18 3HG1 VAL 18 2.529 -0.217 -1.377 137 HG21 VAL 18 3HG2 VAL 18 1.095 -2.783 -2.252 138 HG22 VAL 18 1HG2 VAL 18 2.228 -3.919 -1.519 139 HG23 VAL 18 2HG2 VAL 18 2.832 -2.506 -2.384 140 H HIS 19 H HIS 19 4.495 -0.009 0.633 141 HA HIS 19 HA HIS 19 3.265 0.364 3.283 142 HB2 HIS 19 2HB HIS 19 5.914 1.588 2.654 143 HB3 HIS 19 1HB HIS 19 5.189 1.265 4.215 144 HD1 HIS 19 1HD HIS 19 4.750 -1.785 3.970 145 HD2 HIS 19 2HD HIS 19 8.169 0.246 2.854 146 HE1 HIS 19 1HE HIS 19 6.575 -3.516 3.964 147 HE2 HIS 19 2HE HIS 19 8.625 -2.299 3.127 148 H VAL 20 H VAL 20 2.206 2.196 3.517 149 HA VAL 20 HA VAL 20 2.723 4.297 1.534 150 HB VAL 20 HB VAL 20 0.366 4.028 3.415 151 HG11 VAL 20 1HG1 VAL 20 -0.573 5.930 2.177 152 HG12 VAL 20 2HG1 VAL 20 0.912 6.049 1.231 153 HG13 VAL 20 3HG1 VAL 20 0.941 6.373 2.964 154 HG21 VAL 20 3HG2 VAL 20 0.620 3.609 0.432 155 HG22 VAL 20 1HG2 VAL 20 -0.905 3.636 1.326 156 HG23 VAL 20 2HG2 VAL 20 0.283 2.377 1.654 157 H PHE 21 H PHE 21 3.793 6.015 2.175 158 HA PHE 21 HA PHE 21 4.853 5.865 4.878 159 HB2 PHE 21 2HB PHE 21 5.804 7.312 2.410 160 HB3 PHE 21 1HB PHE 21 6.616 7.389 3.969 161 HD1 PHE 21 1HD PHE 21 5.781 5.231 1.112 162 HD2 PHE 21 2HD PHE 21 7.955 5.526 4.771 163 HE1 PHE 21 1HE PHE 21 7.028 3.194 0.547 164 HE2 PHE 21 2HE PHE 21 9.190 3.487 4.200 165 HZ PHE 21 HZ PHE 21 8.766 2.324 2.139 166 H LYS 22 H LYS 22 5.201 7.765 6.094 167 HA LYS 22 HA LYS 22 2.810 9.222 6.418 168 HB2 LYS 22 2HB LYS 22 3.960 10.273 8.277 169 HB3 LYS 22 1HB LYS 22 4.348 8.556 8.235 170 HG2 LYS 22 2HG LYS 22 6.479 8.965 7.329 171 HG3 LYS 22 1HG LYS 22 6.122 10.678 7.094 172 HD2 LYS 22 2HD LYS 22 5.872 10.922 9.545 173 HD3 LYS 22 1HD LYS 22 6.338 9.229 9.730 174 HE2 LYS 22 2HE LYS 22 8.509 9.683 8.762 175 HE3 LYS 22 1HE LYS 22 8.048 11.358 8.454 176 HZ1 LYS 22 3HZ LYS 22 8.207 10.122 11.152 177 HZ2 LYS 22 1HZ LYS 22 7.897 11.754 10.799 178 HZ3 LYS 22 2HZ LYS 22 9.417 11.089 10.454 179 H ASP 23 H ASP 23 5.369 9.751 4.327 180 HA ASP 23 HA ASP 23 5.086 12.627 4.229 181 HB2 ASP 23 2HB ASP 23 6.790 10.762 2.564 182 HB3 ASP 23 1HB ASP 23 6.863 12.520 2.531 183 H GLY 24 H GLY 24 3.396 10.080 3.233 184 HA2 GLY 24 2HA GLY 24 1.440 10.336 2.028 185 HA3 GLY 24 1HA GLY 24 2.170 11.667 1.168 186 H LYS 25 H LYS 25 4.587 9.620 0.866 187 HA LYS 25 HA LYS 25 3.595 8.652 -1.679 188 HB2 LYS 25 2HB LYS 25 6.366 8.535 -0.470 189 HB3 LYS 25 1HB LYS 25 5.942 7.998 -2.090 190 HG2 LYS 25 2HG LYS 25 6.606 10.043 -2.683 191 HG3 LYS 25 1HG LYS 25 5.001 10.526 -2.145 192 HD2 LYS 25 2HD LYS 25 6.596 12.018 -1.163 193 HD3 LYS 25 1HD LYS 25 5.966 10.971 0.110 194 HE2 LYS 25 2HE LYS 25 8.389 11.256 0.300 195 HE3 LYS 25 1HE LYS 25 7.960 9.578 -0.028 196 HZ1 LYS 25 3HZ LYS 25 8.584 9.852 -2.312 197 HZ2 LYS 25 1HZ LYS 25 9.868 10.388 -1.345 198 HZ3 LYS 25 2HZ LYS 25 8.847 11.511 -2.105 199 H MET 26 H MET 26 4.904 6.345 -2.081 200 HA MET 26 HA MET 26 4.465 4.577 0.136 201 HB2 MET 26 2HB MET 26 2.764 3.253 -0.812 202 HB3 MET 26 1HB MET 26 2.208 4.916 -0.873 203 HG2 MET 26 2HG MET 26 3.293 3.288 -3.135 204 HG3 MET 26 1HG MET 26 1.632 3.760 -2.870 205 HE1 MET 26 3HE MET 26 1.705 7.606 -3.551 206 HE2 MET 26 1HE MET 26 1.816 6.781 -1.996 207 HE3 MET 26 2HE MET 26 0.686 6.204 -3.221 208 H GLY 27 H GLY 27 5.208 2.419 -0.285 209 HA2 GLY 27 2HA GLY 27 6.925 2.164 -2.643 210 HA3 GLY 27 1HA GLY 27 7.677 2.094 -1.059 211 H MET 28 H MET 28 7.655 -0.017 -3.029 212 HA MET 28 HA MET 28 6.014 -1.991 -1.593 213 HB2 MET 28 2HB MET 28 5.101 -1.336 -3.837 214 HB3 MET 28 1HB MET 28 6.558 -1.996 -4.563 215 HG2 MET 28 2HG MET 28 6.010 -4.201 -3.775 216 HG3 MET 28 1HG MET 28 4.618 -3.576 -2.893 217 HE1 MET 28 3HE MET 28 3.029 -5.660 -5.830 218 HE2 MET 28 1HE MET 28 3.118 -5.452 -4.080 219 HE3 MET 28 2HE MET 28 4.529 -6.020 -4.975 220 H GLU 29 H GLU 29 6.881 -3.928 -1.173 221 HA GLU 29 HA GLU 29 9.668 -4.433 -2.009 222 HB2 GLU 29 2HB GLU 29 8.417 -4.604 0.712 223 HB3 GLU 29 1HB GLU 29 9.671 -5.758 0.282 224 HG2 GLU 29 2HG GLU 29 11.247 -4.009 -0.095 225 HG3 GLU 29 1HG GLU 29 10.002 -2.775 0.123 226 H ASN 30 H ASN 30 10.207 -6.650 -2.213 227 HA ASN 30 HA ASN 30 7.910 -8.348 -2.820 228 HB2 ASN 30 2HB ASN 30 9.846 -8.096 -4.425 229 HB3 ASN 30 1HB ASN 30 10.841 -8.956 -3.253 230 HD21 ASN 30 1HD2 ASN 30 11.251 -10.577 -4.613 231 HD22 ASN 30 2HD2 ASN 30 10.081 -11.780 -5.040 232 H LYS 31 H LYS 31 7.855 -10.545 -2.016 233 HA LYS 31 HA LYS 31 7.940 -10.875 0.654 234 HB2 LYS 31 2HB LYS 31 7.756 -13.255 0.280 235 HB3 LYS 31 1HB LYS 31 6.819 -12.347 -0.890 236 HG2 LYS 31 2HG LYS 31 8.850 -12.642 -2.433 237 HG3 LYS 31 1HG LYS 31 9.299 -13.933 -1.311 238 HD2 LYS 31 2HD LYS 31 6.654 -13.693 -2.741 239 HD3 LYS 31 1HD LYS 31 7.972 -14.773 -3.206 240 HE2 LYS 31 2HE LYS 31 7.760 -15.972 -1.111 241 HE3 LYS 31 1HE LYS 31 6.531 -14.836 -0.556 242 HZ1 LYS 31 3HZ LYS 31 6.324 -16.862 -2.700 243 HZ2 LYS 31 1HZ LYS 31 5.237 -15.556 -2.599 244 HZ3 LYS 31 2HZ LYS 31 5.344 -16.670 -1.325 245 H PHE 32 H PHE 32 10.762 -11.063 -1.375 246 HA PHE 32 HA PHE 32 12.293 -12.445 0.686 247 HB2 PHE 32 2HB PHE 32 13.336 -11.313 -1.910 248 HB3 PHE 32 1HB PHE 32 14.112 -12.510 -0.877 249 HD1 PHE 32 1HD PHE 32 13.173 -14.819 -0.760 250 HD2 PHE 32 2HD PHE 32 11.732 -11.898 -3.475 251 HE1 PHE 32 1HE PHE 32 12.081 -16.589 -2.082 252 HE2 PHE 32 2HE PHE 32 10.635 -13.631 -4.797 253 HZ PHE 32 HZ PHE 32 10.807 -16.000 -4.110 254 H GLY 33 H GLY 33 11.268 -9.358 0.141 255 HA2 GLY 33 2HA GLY 33 11.798 -7.581 1.552 256 HA3 GLY 33 1HA GLY 33 13.348 -8.328 1.910 257 H LYS 34 H LYS 34 12.218 -8.009 -1.343 258 HA LYS 34 HA LYS 34 14.463 -6.201 -1.827 259 HB2 LYS 34 2HB LYS 34 12.923 -7.995 -3.678 260 HB3 LYS 34 1HB LYS 34 14.147 -6.859 -4.223 261 HG2 LYS 34 2HG LYS 34 14.707 -8.923 -2.147 262 HG3 LYS 34 1HG LYS 34 14.881 -9.259 -3.869 263 HD2 LYS 34 2HD LYS 34 16.442 -7.323 -4.008 264 HD3 LYS 34 1HD LYS 34 16.324 -7.157 -2.255 265 HE2 LYS 34 2HE LYS 34 17.193 -9.450 -2.008 266 HE3 LYS 34 1HE LYS 34 17.358 -9.557 -3.762 267 HZ1 LYS 34 3HZ LYS 34 18.836 -7.549 -3.578 268 HZ2 LYS 34 1HZ LYS 34 19.464 -8.982 -2.923 269 HZ3 LYS 34 2HZ LYS 34 18.835 -7.784 -1.899 270 H SER 35 H SER 35 14.298 -4.326 -2.623 271 HA SER 35 HA SER 35 11.738 -3.029 -2.686 272 HB2 SER 35 2HB SER 35 13.220 -1.019 -3.289 273 HB3 SER 35 1HB SER 35 13.454 -1.764 -1.709 274 HG SER 35 HG SER 35 15.267 -1.369 -3.575 275 H MET 36 H MET 36 10.462 -3.170 -4.406 276 HA MET 36 HA MET 36 11.719 -3.122 -7.058 277 HB2 MET 36 2HB MET 36 9.759 -4.693 -7.726 278 HB3 MET 36 1HB MET 36 11.180 -5.365 -6.943 279 HG2 MET 36 2HG MET 36 9.348 -6.393 -5.921 280 HG3 MET 36 1HG MET 36 9.912 -5.187 -4.770 281 HE1 MET 36 3HE MET 36 7.699 -4.881 -8.037 282 HE2 MET 36 1HE MET 36 6.088 -4.879 -7.320 283 HE3 MET 36 2HE MET 36 7.104 -6.316 -7.202 284 H ASN 37 H ASN 37 9.760 -2.930 -8.753 285 HA ASN 37 HA ASN 37 8.783 -0.272 -8.126 286 HB2 ASN 37 2HB ASN 37 8.282 -0.135 -10.561 287 HB3 ASN 37 1HB ASN 37 9.965 -0.503 -10.220 288 HD21 ASN 37 1HD2 ASN 37 10.782 -2.524 -10.719 289 HD22 ASN 37 2HD2 ASN 37 9.943 -3.628 -11.765 290 H MET 38 H MET 38 6.742 0.315 -7.861 291 HA MET 38 HA MET 38 4.713 -1.781 -7.785 292 HB2 MET 38 2HB MET 38 4.999 -0.267 -5.840 293 HB3 MET 38 1HB MET 38 4.583 1.101 -6.864 294 HG2 MET 38 2HG MET 38 2.357 0.201 -7.200 295 HG3 MET 38 1HG MET 38 2.768 -1.216 -6.234 296 HE1 MET 38 3HE MET 38 0.198 0.492 -5.650 297 HE2 MET 38 1HE MET 38 0.268 0.691 -3.899 298 HE3 MET 38 2HE MET 38 0.674 -0.863 -4.627 299 HA PRO 39 HA PRO 39 3.264 -0.374 -11.732 300 HB2 PRO 39 2HB PRO 39 1.210 -2.100 -12.005 301 HB3 PRO 39 1HB PRO 39 2.899 -2.592 -12.172 302 HG2 PRO 39 2HG PRO 39 1.038 -2.945 -9.863 303 HG3 PRO 39 1HG PRO 39 2.256 -4.061 -10.504 304 HD2 PRO 39 2HD PRO 39 2.614 -2.464 -8.289 305 HD3 PRO 39 1HD PRO 39 3.934 -3.106 -9.286 306 H GLU 40 H GLU 40 2.136 1.423 -12.076 307 HA GLU 40 HA GLU 40 -0.059 2.148 -10.349 308 HB2 GLU 40 2HB GLU 40 1.548 3.867 -11.158 309 HB3 GLU 40 1HB GLU 40 0.968 3.597 -12.801 310 HG2 GLU 40 2HG GLU 40 -1.265 4.295 -12.136 311 HG3 GLU 40 1HG GLU 40 -0.706 4.535 -10.486 312 H GLY 41 H GLY 41 -2.178 2.045 -10.790 313 HA2 GLY 41 2HA GLY 41 -4.050 2.013 -12.287 314 HA3 GLY 41 1HA GLY 41 -3.011 1.303 -13.516 315 H LYS 42 H LYS 42 -2.025 -0.344 -11.039 316 HA LYS 42 HA LYS 42 -3.896 -2.530 -11.551 317 HB2 LYS 42 2HB LYS 42 -1.120 -2.451 -10.387 318 HB3 LYS 42 1HB LYS 42 -2.126 -3.891 -10.368 319 HG2 LYS 42 2HG LYS 42 -1.430 -2.449 -12.898 320 HG3 LYS 42 1HG LYS 42 -0.443 -3.751 -12.220 321 HD2 LYS 42 2HD LYS 42 -3.371 -3.982 -12.861 322 HD3 LYS 42 1HD LYS 42 -2.077 -4.521 -13.934 323 HE2 LYS 42 2HE LYS 42 -1.296 -6.050 -12.171 324 HE3 LYS 42 1HE LYS 42 -2.623 -5.519 -11.138 325 HZ1 LYS 42 3HZ LYS 42 -4.162 -6.326 -12.887 326 HZ2 LYS 42 1HZ LYS 42 -3.239 -7.558 -12.180 327 HZ3 LYS 42 2HZ LYS 42 -2.833 -6.976 -13.715 328 H VAL 43 H VAL 43 -5.408 -3.025 -10.134 329 HA VAL 43 HA VAL 43 -5.097 -2.162 -7.367 330 HB VAL 43 HB VAL 43 -7.304 -1.803 -8.430 331 HG11 VAL 43 1HG1 VAL 43 -8.799 -3.701 -8.831 332 HG12 VAL 43 2HG1 VAL 43 -7.467 -4.810 -8.503 333 HG13 VAL 43 3HG1 VAL 43 -7.392 -3.729 -9.894 334 HG21 VAL 43 3HG2 VAL 43 -7.141 -2.021 -6.006 335 HG22 VAL 43 1HG2 VAL 43 -7.358 -3.765 -6.139 336 HG23 VAL 43 2HG2 VAL 43 -8.667 -2.675 -6.599 337 H MET 44 H MET 44 -4.511 -3.461 -5.775 338 HA MET 44 HA MET 44 -4.259 -6.326 -6.375 339 HB2 MET 44 2HB MET 44 -2.197 -4.538 -5.077 340 HB3 MET 44 1HB MET 44 -2.112 -6.294 -5.070 341 HG2 MET 44 2HG MET 44 -1.983 -6.323 -7.490 342 HG3 MET 44 1HG MET 44 -2.139 -4.570 -7.537 343 HE1 MET 44 3HE MET 44 -0.332 -3.699 -5.050 344 HE2 MET 44 1HE MET 44 -0.297 -2.898 -6.621 345 HE3 MET 44 2HE MET 44 1.208 -3.413 -5.861 346 H GLU 45 H GLU 45 -4.155 -7.685 -4.463 347 HA GLU 45 HA GLU 45 -5.796 -6.505 -2.343 348 HB2 GLU 45 2HB GLU 45 -5.738 -9.247 -3.535 349 HB3 GLU 45 1HB GLU 45 -6.356 -8.998 -1.906 350 HG2 GLU 45 2HG GLU 45 -7.967 -7.390 -2.760 351 HG3 GLU 45 1HG GLU 45 -7.368 -7.658 -4.400 352 H THR 46 H THR 46 -5.701 -7.718 -0.319 353 HA THR 46 HA THR 46 -2.900 -8.219 0.441 354 HB THR 46 HB THR 46 -3.308 -7.186 2.585 355 HG1 THR 46 1HG THR 46 -5.557 -6.004 2.556 356 HG21 THR 46 3HG2 THR 46 -4.394 -5.402 0.403 357 HG22 THR 46 1HG2 THR 46 -2.684 -5.698 0.716 358 HG23 THR 46 2HG2 THR 46 -3.670 -4.876 1.924 359 H ARG 47 H ARG 47 -2.689 -9.501 2.461 360 HA ARG 47 HA ARG 47 -4.102 -11.915 2.486 361 HB2 ARG 47 2HB ARG 47 -3.228 -12.144 4.828 362 HB3 ARG 47 1HB ARG 47 -2.020 -11.854 3.586 363 HG2 ARG 47 2HG ARG 47 -1.774 -9.596 4.265 364 HG3 ARG 47 1HG ARG 47 -3.170 -9.713 5.342 365 HD2 ARG 47 2HD ARG 47 -2.042 -11.220 6.777 366 HD3 ARG 47 1HD ARG 47 -0.723 -11.426 5.625 367 HE ARG 47 HE ARG 47 -0.181 -9.040 6.073 368 HH11 ARG 47 1HH1 ARG 47 -2.022 -10.851 8.432 369 HH12 ARG 47 2HH1 ARG 47 -1.439 -9.920 9.778 370 HH21 ARG 47 1HH2 ARG 47 0.599 -7.839 7.794 371 HH22 ARG 47 2HH2 ARG 47 0.081 -8.206 9.422 372 H ASP 48 H ASP 48 -4.982 -8.860 3.625 373 HA ASP 48 HA ASP 48 -6.734 -9.895 5.720 374 HB2 ASP 48 2HB ASP 48 -5.110 -8.149 6.301 375 HB3 ASP 48 1HB ASP 48 -5.844 -7.068 5.118 376 H GLY 49 H GLY 49 -6.860 -8.968 2.509 377 HA2 GLY 49 2HA GLY 49 -8.811 -9.333 1.249 378 HA3 GLY 49 1HA GLY 49 -9.772 -9.040 2.691 379 H THR 50 H THR 50 -7.334 -6.688 2.251 380 HA THR 50 HA THR 50 -9.366 -4.775 1.429 381 HB THR 50 HB THR 50 -7.007 -3.361 1.701 382 HG1 THR 50 1HG THR 50 -6.679 -4.452 4.065 383 HG21 THR 50 3HG2 THR 50 -9.209 -2.727 2.587 384 HG22 THR 50 1HG2 THR 50 -7.940 -2.551 3.801 385 HG23 THR 50 2HG2 THR 50 -9.037 -3.934 3.862 386 H LYS 51 H LYS 51 -9.109 -3.475 -0.408 387 HA LYS 51 HA LYS 51 -7.184 -4.525 -2.370 388 HB2 LYS 51 2HB LYS 51 -9.795 -3.106 -2.952 389 HB3 LYS 51 1HB LYS 51 -8.693 -3.788 -4.136 390 HG2 LYS 51 2HG LYS 51 -10.257 -5.443 -4.057 391 HG3 LYS 51 1HG LYS 51 -9.161 -6.011 -2.796 392 HD2 LYS 51 2HD LYS 51 -10.571 -5.032 -1.083 393 HD3 LYS 51 1HD LYS 51 -11.635 -4.352 -2.314 394 HE2 LYS 51 2HE LYS 51 -12.706 -6.297 -1.489 395 HE3 LYS 51 1HE LYS 51 -12.076 -6.709 -3.079 396 HZ1 LYS 51 3HZ LYS 51 -10.278 -7.899 -2.091 397 HZ2 LYS 51 1HZ LYS 51 -11.715 -8.435 -1.368 398 HZ3 LYS 51 2HZ LYS 51 -10.699 -7.365 -0.533 399 H ILE 52 H ILE 52 -5.726 -3.157 -3.188 400 HA ILE 52 HA ILE 52 -6.065 -0.278 -2.731 401 HB ILE 52 HB ILE 52 -3.671 -0.095 -2.073 402 HG12 ILE 52 2HG1 ILE 52 -3.813 -3.112 -1.798 403 HG13 ILE 52 1HG1 ILE 52 -2.948 -2.262 -3.074 404 HG21 ILE 52 1HG2 ILE 52 -5.429 -0.076 -0.380 405 HG22 ILE 52 2HG2 ILE 52 -3.968 -0.848 0.234 406 HG23 ILE 52 3HG2 ILE 52 -5.344 -1.833 -0.259 407 HD11 ILE 52 3HD1 ILE 52 -1.501 -1.235 -1.379 408 HD12 ILE 52 1HD1 ILE 52 -1.420 -2.997 -1.357 409 HD13 ILE 52 2HD1 ILE 52 -2.350 -2.142 -0.128 410 H ILE 53 H ILE 53 -4.685 1.045 -4.051 411 HA ILE 53 HA ILE 53 -3.153 -0.130 -6.163 412 HB ILE 53 HB ILE 53 -5.001 -0.457 -7.492 413 HG12 ILE 53 2HG1 ILE 53 -4.170 2.396 -8.005 414 HG13 ILE 53 1HG1 ILE 53 -3.565 0.942 -8.785 415 HG21 ILE 53 1HG2 ILE 53 -6.669 0.365 -5.944 416 HG22 ILE 53 2HG2 ILE 53 -6.989 0.962 -7.574 417 HG23 ILE 53 3HG2 ILE 53 -6.268 2.030 -6.369 418 HD11 ILE 53 3HD1 ILE 53 -5.677 0.635 -9.914 419 HD12 ILE 53 1HD1 ILE 53 -5.042 2.253 -10.225 420 HD13 ILE 53 2HD1 ILE 53 -6.355 2.026 -9.067 421 H MET 54 H MET 54 -1.920 1.390 -7.312 422 HA MET 54 HA MET 54 -1.886 4.083 -6.120 423 HB2 MET 54 2HB MET 54 0.245 2.811 -5.875 424 HB3 MET 54 1HB MET 54 0.322 2.641 -7.623 425 HG2 MET 54 2HG MET 54 0.423 5.100 -7.823 426 HG3 MET 54 1HG MET 54 0.451 5.215 -6.066 427 HE1 MET 54 3HE MET 54 2.233 2.625 -8.473 428 HE2 MET 54 1HE MET 54 3.815 3.387 -8.643 429 HE3 MET 54 2HE MET 54 2.379 4.178 -9.295 430 H LYS 55 H LYS 55 -2.649 5.641 -7.417 431 HA LYS 55 HA LYS 55 -2.252 5.403 -10.295 432 HB2 LYS 55 2HB LYS 55 -4.548 4.456 -9.648 433 HB3 LYS 55 1HB LYS 55 -4.985 6.112 -9.249 434 HG2 LYS 55 2HG LYS 55 -5.734 5.609 -11.476 435 HG3 LYS 55 1HG LYS 55 -4.420 6.786 -11.558 436 HD2 LYS 55 2HD LYS 55 -2.861 4.831 -11.936 437 HD3 LYS 55 1HD LYS 55 -4.301 3.835 -12.145 438 HE2 LYS 55 2HE LYS 55 -3.545 4.486 -14.311 439 HE3 LYS 55 1HE LYS 55 -5.015 5.392 -13.960 440 HZ1 LYS 55 3HZ LYS 55 -3.334 6.801 -14.949 441 HZ2 LYS 55 1HZ LYS 55 -2.237 6.429 -13.709 442 HZ3 LYS 55 2HZ LYS 55 -3.655 7.303 -13.365 443 H GLY 56 H GLY 56 -1.842 7.304 -11.247 444 HA2 GLY 56 2HA GLY 56 -1.312 9.530 -11.420 445 HA3 GLY 56 1HA GLY 56 -2.611 9.839 -10.275 446 H ASN 57 H ASN 57 0.148 7.788 -9.612 447 HA ASN 57 HA ASN 57 1.692 7.806 -7.952 448 HB2 ASN 57 2HB ASN 57 1.641 10.680 -8.786 449 HB3 ASN 57 1HB ASN 57 2.603 10.205 -7.389 450 HD21 ASN 57 1HD2 ASN 57 2.092 8.007 -10.033 451 HD22 ASN 57 2HD2 ASN 57 3.708 8.069 -10.654 452 H GLU 58 H GLU 58 -1.177 8.131 -7.369 453 HA GLU 58 HA GLU 58 -0.928 9.028 -4.566 454 HB2 GLU 58 2HB GLU 58 -3.407 8.904 -6.293 455 HB3 GLU 58 1HB GLU 58 -3.385 9.321 -4.587 456 HG2 GLU 58 2HG GLU 58 -1.986 11.286 -5.127 457 HG3 GLU 58 1HG GLU 58 -2.146 10.883 -6.840 458 H ILE 59 H ILE 59 -1.886 7.701 -2.986 459 HA ILE 59 HA ILE 59 -2.287 4.958 -3.894 460 HB ILE 59 HB ILE 59 -1.127 6.096 -1.501 461 HG12 ILE 59 2HG1 ILE 59 -0.002 4.499 -2.947 462 HG13 ILE 59 1HG1 ILE 59 -0.175 3.825 -1.329 463 HG21 ILE 59 1HG2 ILE 59 -2.009 4.537 0.141 464 HG22 ILE 59 2HG2 ILE 59 -3.163 3.923 -1.040 465 HG23 ILE 59 3HG2 ILE 59 -3.284 5.589 -0.473 466 HD11 ILE 59 3HD1 ILE 59 -1.894 3.159 -3.703 467 HD12 ILE 59 1HD1 ILE 59 -2.066 2.488 -2.081 468 HD13 ILE 59 2HD1 ILE 59 -0.613 2.153 -3.026 469 H PHE 60 H PHE 60 -4.207 4.347 -4.302 470 HA PHE 60 HA PHE 60 -6.534 5.289 -2.869 471 HB2 PHE 60 2HB PHE 60 -7.157 4.753 -5.010 472 HB3 PHE 60 1HB PHE 60 -5.895 3.557 -5.194 473 HD1 PHE 60 1HD PHE 60 -6.390 1.384 -3.571 474 HD2 PHE 60 2HD PHE 60 -9.296 3.990 -5.251 475 HE1 PHE 60 1HE PHE 60 -8.124 -0.343 -3.275 476 HE2 PHE 60 2HE PHE 60 -11.016 2.281 -4.967 477 HZ PHE 60 HZ PHE 60 -10.292 -0.072 -4.357 478 H ARG 61 H ARG 61 -6.844 4.591 -0.844 479 HA ARG 61 HA ARG 61 -6.359 1.724 -0.376 480 HB2 ARG 61 2HB ARG 61 -5.470 3.676 1.260 481 HB3 ARG 61 1HB ARG 61 -7.114 3.539 1.875 482 HG2 ARG 61 2HG ARG 61 -6.717 1.100 2.194 483 HG3 ARG 61 1HG ARG 61 -5.025 1.379 1.775 484 HD2 ARG 61 2HD ARG 61 -6.563 2.388 4.149 485 HD3 ARG 61 1HD ARG 61 -5.080 1.435 4.120 486 HE ARG 61 HE ARG 61 -4.435 3.776 2.851 487 HH11 ARG 61 1HH1 ARG 61 -5.601 2.909 6.035 488 HH12 ARG 61 2HH1 ARG 61 -4.940 4.323 6.800 489 HH21 ARG 61 1HH2 ARG 61 -3.592 5.641 3.831 490 HH22 ARG 61 2HH2 ARG 61 -3.821 5.895 5.541 491 H LEU 62 H LEU 62 -8.136 0.790 -0.992 492 HA LEU 62 HA LEU 62 -10.353 0.380 -1.540 493 HB2 LEU 62 2HB LEU 62 -10.945 2.016 0.911 494 HB3 LEU 62 1HB LEU 62 -11.921 0.723 0.218 495 HG LEU 62 HG LEU 62 -9.204 0.411 1.466 496 HD11 LEU 62 1HD1 LEU 62 -11.926 -0.403 2.413 497 HD12 LEU 62 2HD1 LEU 62 -10.921 0.890 3.075 498 HD13 LEU 62 3HD1 LEU 62 -10.395 -0.790 3.196 499 HD21 LEU 62 3HD2 LEU 62 -11.113 -1.687 0.453 500 HD22 LEU 62 1HD2 LEU 62 -9.482 -1.940 1.081 501 HD23 LEU 62 2HD2 LEU 62 -9.723 -1.092 -0.455 502 H ASP 63 H ASP 63 -9.310 3.601 -1.266 503 HA ASP 63 HA ASP 63 -9.946 5.576 -2.144 504 HB2 ASP 63 2HB ASP 63 -10.664 4.880 -4.195 505 HB3 ASP 63 1HB ASP 63 -11.810 3.731 -3.514 506 H GLU 64 H GLU 64 -12.058 3.590 -0.372 507 HA GLU 64 HA GLU 64 -13.656 5.846 0.610 508 HB2 GLU 64 2HB GLU 64 -14.560 3.529 -0.229 509 HB3 GLU 64 1HB GLU 64 -14.097 2.977 1.373 510 HG2 GLU 64 2HG GLU 64 -16.421 3.552 1.369 511 HG3 GLU 64 1HG GLU 64 -15.537 4.720 2.354 512 H ALA 65 H ALA 65 -10.959 3.911 1.495 513 HA ALA 65 HA ALA 65 -11.301 3.833 4.307 514 HB1 ALA 65 1HB ALA 65 -9.575 2.571 2.830 515 HB2 ALA 65 2HB ALA 65 -9.113 3.075 4.459 516 HB3 ALA 65 3HB ALA 65 -8.578 4.013 3.064 517 H LEU 66 H LEU 66 -10.065 6.207 2.105 518 HA LEU 66 HA LEU 66 -8.992 7.925 4.150 519 HB2 LEU 66 2HB LEU 66 -9.490 8.481 1.226 520 HB3 LEU 66 1HB LEU 66 -8.492 9.431 2.305 521 HG LEU 66 HG LEU 66 -6.986 8.222 1.006 522 HD11 LEU 66 1HD1 LEU 66 -7.319 6.658 3.548 523 HD12 LEU 66 2HD1 LEU 66 -6.386 8.141 3.341 524 HD13 LEU 66 3HD1 LEU 66 -5.879 6.659 2.528 525 HD21 LEU 66 3HD2 LEU 66 -7.093 5.902 0.447 526 HD22 LEU 66 1HD2 LEU 66 -8.638 6.646 0.048 527 HD23 LEU 66 2HD2 LEU 66 -8.483 5.664 1.505 528 H ARG 67 H ARG 67 -12.012 7.223 3.831 529 HA ARG 67 HA ARG 67 -13.071 9.913 3.437 530 HB2 ARG 67 2HB ARG 67 -13.898 7.610 2.326 531 HB3 ARG 67 1HB ARG 67 -14.865 7.574 3.791 532 HG2 ARG 67 2HG ARG 67 -16.276 8.638 2.377 533 HG3 ARG 67 1HG ARG 67 -15.446 10.025 3.076 534 HD2 ARG 67 2HD ARG 67 -15.503 10.399 0.742 535 HD3 ARG 67 1HD ARG 67 -13.855 9.881 1.113 536 HE ARG 67 HE ARG 67 -15.621 7.722 0.398 537 HH11 ARG 67 1HH1 ARG 67 -13.418 10.155 -0.849 538 HH12 ARG 67 2HH1 ARG 67 -13.114 9.298 -2.330 539 HH21 ARG 67 1HH2 ARG 67 -15.230 6.602 -1.524 540 HH22 ARG 67 2HH2 ARG 67 -14.124 7.253 -2.703 541 H LYS 68 H LYS 68 -15.406 9.582 4.814 542 HA LYS 68 HA LYS 68 -14.496 9.451 7.602 543 HB2 LYS 68 2HB LYS 68 -16.429 11.022 8.069 544 HB3 LYS 68 1HB LYS 68 -15.088 11.704 7.165 545 HG2 LYS 68 2HG LYS 68 -16.337 11.462 5.094 546 HG3 LYS 68 1HG LYS 68 -17.679 10.735 5.980 547 HD2 LYS 68 2HD LYS 68 -17.986 12.793 7.242 548 HD3 LYS 68 1HD LYS 68 -16.608 13.522 6.414 549 HE2 LYS 68 2HE LYS 68 -19.151 12.577 5.093 550 HE3 LYS 68 1HE LYS 68 -18.755 14.252 5.473 551 HZ1 LYS 68 3HZ LYS 68 -17.231 12.494 3.624 552 HZ2 LYS 68 1HZ LYS 68 -16.853 14.106 3.993 553 HZ3 LYS 68 2HZ LYS 68 -18.284 13.734 3.162 554 H GLY 69 H GLY 69 -15.109 7.622 8.478 555 HA2 GLY 69 2HA GLY 69 -16.959 6.353 9.419 556 HA3 GLY 69 1HA GLY 69 -17.838 6.639 7.923 557 H HIS 70 H HIS 70 -15.066 4.990 9.329 558 HA HIS 70 HA HIS 70 -14.325 3.553 7.013 559 HB2 HIS 70 2HB HIS 70 -13.702 3.337 9.920 560 HB3 HIS 70 1HB HIS 70 -13.304 1.975 8.879 561 HD1 HIS 70 1HD HIS 70 -11.330 2.225 7.293 562 HD2 HIS 70 2HD HIS 70 -12.235 5.709 9.388 563 HE1 HIS 70 1HE HIS 70 -9.384 3.776 6.912 564 HE2 HIS 70 2HE HIS 70 -10.033 5.938 8.043 565 H SER 71 H SER 71 -14.887 1.590 6.231 566 HA SER 71 HA SER 71 -17.337 0.430 7.293 567 HB2 SER 71 2HB SER 71 -15.856 -0.347 4.778 568 HB3 SER 71 1HB SER 71 -17.543 -0.676 5.179 569 HG SER 71 HG SER 71 -17.698 1.750 5.261 570 H GLU 72 H GLU 72 -13.958 -0.283 6.914 571 HA GLU 72 HA GLU 72 -14.305 -3.109 7.477 572 HB2 GLU 72 2HB GLU 72 -11.987 -3.366 6.999 573 HB3 GLU 72 1HB GLU 72 -12.614 -2.243 5.807 574 HG2 GLU 72 2HG GLU 72 -11.104 -1.433 8.284 575 HG3 GLU 72 1HG GLU 72 -10.372 -1.656 6.702 576 H GLY 73 H GLY 73 -13.129 -0.198 9.034 577 HA2 GLY 73 2HA GLY 73 -13.675 -0.250 11.511 578 HA3 GLY 73 1HA GLY 73 -12.728 -1.732 11.528 579 H GLY 74 H GLY 74 -10.525 -1.306 10.218 580 HA2 GLY 74 2HA GLY 74 -8.662 0.126 9.907 581 HA3 GLY 74 1HA GLY 74 -9.403 1.292 10.996 Start of MODEL 8 1 H1 VAL 1 1HT VAL 1 14.327 1.941 3.480 2 H2 VAL 1 2HT VAL 1 13.602 0.770 2.492 3 H3 VAL 1 3HT VAL 1 14.093 0.367 4.062 4 HA VAL 1 HA VAL 1 12.027 2.397 3.471 5 HB VAL 1 HB VAL 1 11.641 -0.493 4.281 6 HG11 VAL 1 2HG1 VAL 1 9.607 1.683 3.816 7 HG12 VAL 1 3HG1 VAL 1 10.042 0.988 5.378 8 HG13 VAL 1 1HG1 VAL 1 9.249 -0.009 4.157 9 HG21 VAL 1 1HG2 VAL 1 10.897 0.945 1.741 10 HG22 VAL 1 2HG2 VAL 1 10.461 -0.716 2.144 11 HG23 VAL 1 3HG2 VAL 1 12.155 -0.278 1.918 12 H ASP 2 H ASP 2 11.876 3.710 5.189 13 HA ASP 2 HA ASP 2 12.899 2.812 7.761 14 HB2 ASP 2 2HB ASP 2 13.574 5.021 7.167 15 HB3 ASP 2 1HB ASP 2 11.924 5.495 6.782 16 H MET 3 H MET 3 11.719 2.584 9.603 17 HA MET 3 HA MET 3 8.903 1.980 9.178 18 HB2 MET 3 2HB MET 3 10.678 1.495 11.577 19 HB3 MET 3 1HB MET 3 9.046 0.893 11.376 20 HG2 MET 3 2HG MET 3 11.268 0.189 9.494 21 HG3 MET 3 1HG MET 3 10.920 -0.735 10.945 22 HE1 MET 3 3HE MET 3 9.041 0.802 7.800 23 HE2 MET 3 1HE MET 3 8.637 -0.725 7.014 24 HE3 MET 3 2HE MET 3 10.323 -0.305 7.312 25 H SER 4 H SER 4 10.807 4.487 10.436 26 HA SER 4 HA SER 4 8.975 5.306 12.517 27 HB2 SER 4 2HB SER 4 11.245 6.935 11.377 28 HB3 SER 4 1HB SER 4 10.570 6.990 13.007 29 HG SER 4 HG SER 4 12.250 5.050 11.833 30 H ASN 5 H ASN 5 9.690 6.063 9.206 31 HA ASN 5 HA ASN 5 8.045 8.465 9.263 32 HB2 ASN 5 2HB ASN 5 10.117 8.777 8.165 33 HB3 ASN 5 1HB ASN 5 9.950 7.295 7.235 34 HD21 ASN 5 1HD2 ASN 5 8.592 7.296 5.419 35 HD22 ASN 5 2HD2 ASN 5 8.073 8.773 4.665 36 H VAL 6 H VAL 6 7.409 5.268 8.907 37 HA VAL 6 HA VAL 6 5.541 5.789 6.709 38 HB VAL 6 HB VAL 6 7.271 4.026 6.380 39 HG11 VAL 6 1HG1 VAL 6 6.873 1.803 7.325 40 HG12 VAL 6 2HG1 VAL 6 5.609 2.475 8.361 41 HG13 VAL 6 3HG1 VAL 6 7.286 2.988 8.568 42 HG21 VAL 6 3HG2 VAL 6 4.405 3.145 6.196 43 HG22 VAL 6 1HG2 VAL 6 5.761 2.523 5.255 44 HG23 VAL 6 2HG2 VAL 6 5.245 4.198 5.055 45 H VAL 7 H VAL 7 3.400 5.580 6.942 46 HA VAL 7 HA VAL 7 2.469 5.458 9.689 47 HB VAL 7 HB VAL 7 0.205 6.047 8.698 48 HG11 VAL 7 1HG1 VAL 7 2.479 7.962 8.201 49 HG12 VAL 7 2HG1 VAL 7 1.676 7.693 9.749 50 HG13 VAL 7 3HG1 VAL 7 0.778 8.386 8.397 51 HG21 VAL 7 3HG2 VAL 7 0.126 6.944 6.468 52 HG22 VAL 7 1HG2 VAL 7 0.690 5.275 6.397 53 HG23 VAL 7 2HG2 VAL 7 1.840 6.607 6.227 54 H LYS 8 H LYS 8 2.401 3.381 6.900 55 HA LYS 8 HA LYS 8 1.361 1.244 8.450 56 HB2 LYS 8 2HB LYS 8 -0.745 2.503 8.001 57 HB3 LYS 8 1HB LYS 8 -0.494 2.244 6.282 58 HG2 LYS 8 2HG LYS 8 -2.076 0.639 7.142 59 HG3 LYS 8 1HG LYS 8 -0.592 -0.188 6.659 60 HD2 LYS 8 2HD LYS 8 0.143 -0.149 9.027 61 HD3 LYS 8 1HD LYS 8 -1.409 0.565 9.468 62 HE2 LYS 8 2HE LYS 8 -2.570 -1.406 8.636 63 HE3 LYS 8 1HE LYS 8 -1.036 -2.117 8.136 64 HZ1 LYS 8 3HZ LYS 8 -1.917 -1.532 10.910 65 HZ2 LYS 8 1HZ LYS 8 -0.341 -2.012 10.502 66 HZ3 LYS 8 2HZ LYS 8 -1.641 -3.057 10.216 67 H THR 9 H THR 9 1.950 -0.587 7.702 68 HA THR 9 HA THR 9 2.860 -0.839 4.923 69 HB THR 9 HB THR 9 3.556 -2.375 7.408 70 HG1 THR 9 1HG THR 9 5.350 -1.265 7.396 71 HG21 THR 9 3HG2 THR 9 3.422 -3.948 5.541 72 HG22 THR 9 1HG2 THR 9 5.095 -3.706 6.046 73 HG23 THR 9 2HG2 THR 9 4.489 -2.912 4.594 74 H TYR 10 H TYR 10 2.062 -2.486 3.649 75 HA TYR 10 HA TYR 10 -0.196 -4.013 4.735 76 HB2 TYR 10 2HB TYR 10 -0.025 -2.430 2.206 77 HB3 TYR 10 1HB TYR 10 -1.109 -3.819 2.318 78 HD1 TYR 10 2HD TYR 10 -2.643 -3.850 4.464 79 HD2 TYR 10 1HD TYR 10 -0.780 -0.396 2.844 80 HE1 TYR 10 2HE TYR 10 -4.328 -2.428 5.565 81 HE2 TYR 10 1HE TYR 10 -2.442 1.031 3.915 82 HH TYR 10 HH TYR 10 -4.652 0.938 4.829 83 H ASP 11 H ASP 11 -0.409 -6.002 4.301 84 HA ASP 11 HA ASP 11 1.795 -7.315 2.915 85 HB2 ASP 11 2HB ASP 11 -0.442 -8.551 4.558 86 HB3 ASP 11 1HB ASP 11 0.983 -9.366 3.948 87 H LEU 12 H LEU 12 1.547 -7.868 0.909 88 HA LEU 12 HA LEU 12 -1.089 -8.064 -0.305 89 HB2 LEU 12 2HB LEU 12 1.622 -8.685 -1.502 90 HB3 LEU 12 1HB LEU 12 0.106 -8.628 -2.382 91 HG LEU 12 HG LEU 12 1.687 -6.349 -1.237 92 HD11 LEU 12 1HD1 LEU 12 1.424 -5.447 -3.485 93 HD12 LEU 12 2HD1 LEU 12 0.457 -6.849 -3.940 94 HD13 LEU 12 3HD1 LEU 12 2.157 -7.049 -3.527 95 HD21 LEU 12 3HD2 LEU 12 -1.196 -6.242 -2.107 96 HD22 LEU 12 1HD2 LEU 12 -0.181 -4.858 -1.698 97 HD23 LEU 12 2HD2 LEU 12 -0.604 -6.040 -0.459 98 H GLN 13 H GLN 13 -1.985 -10.057 -1.094 99 HA GLN 13 HA GLN 13 -1.671 -12.100 0.788 100 HB2 GLN 13 2HB GLN 13 -3.661 -11.479 -0.797 101 HB3 GLN 13 1HB GLN 13 -2.918 -12.672 -1.858 102 HG2 GLN 13 2HG GLN 13 -3.088 -14.361 -0.156 103 HG3 GLN 13 1HG GLN 13 -3.711 -13.174 0.992 104 HE21 GLN 13 1HE2 GLN 13 -4.419 -15.162 -1.761 105 HE22 GLN 13 2HE2 GLN 13 -6.134 -14.891 -1.767 106 H ASP 14 H ASP 14 0.196 -11.463 -1.925 107 HA ASP 14 HA ASP 14 1.004 -14.229 -2.351 108 HB2 ASP 14 2HB ASP 14 2.508 -13.184 -4.109 109 HB3 ASP 14 1HB ASP 14 0.778 -13.009 -4.384 110 H GLY 15 H GLY 15 1.938 -11.408 -0.662 111 HA2 GLY 15 2HA GLY 15 3.454 -12.043 1.233 112 HA3 GLY 15 1HA GLY 15 4.525 -12.658 -0.008 113 H SER 16 H SER 16 3.649 -10.266 -1.700 114 HA SER 16 HA SER 16 5.881 -8.654 -1.124 115 HB2 SER 16 2HB SER 16 3.444 -7.911 -2.751 116 HB3 SER 16 1HB SER 16 5.051 -7.202 -2.876 117 HG SER 16 HG SER 16 4.127 -9.726 -3.714 118 H LYS 17 H LYS 17 5.922 -6.432 -0.434 119 HA LYS 17 HA LYS 17 3.797 -5.877 1.525 120 HB2 LYS 17 2HB LYS 17 6.766 -5.430 1.868 121 HB3 LYS 17 1HB LYS 17 5.519 -5.085 3.065 122 HG2 LYS 17 2HG LYS 17 4.942 -7.499 3.074 123 HG3 LYS 17 1HG LYS 17 6.309 -7.786 1.992 124 HD2 LYS 17 2HD LYS 17 7.840 -6.935 3.673 125 HD3 LYS 17 1HD LYS 17 6.486 -6.575 4.750 126 HE2 LYS 17 2HE LYS 17 7.576 -8.671 5.371 127 HE3 LYS 17 1HE LYS 17 5.919 -8.947 4.842 128 HZ1 LYS 17 3HZ LYS 17 6.795 -9.589 2.659 129 HZ2 LYS 17 1HZ LYS 17 7.387 -10.591 3.891 130 HZ3 LYS 17 2HZ LYS 17 8.377 -9.382 3.232 131 H VAL 18 H VAL 18 2.904 -3.958 1.416 132 HA VAL 18 HA VAL 18 4.197 -1.844 -0.193 133 HB VAL 18 HB VAL 18 1.272 -2.312 0.478 134 HG11 VAL 18 1HG1 VAL 18 2.528 -0.132 -1.199 135 HG12 VAL 18 2HG1 VAL 18 1.716 0.078 0.356 136 HG13 VAL 18 3HG1 VAL 18 0.798 -0.445 -1.057 137 HG21 VAL 18 3HG2 VAL 18 2.763 -2.543 -2.136 138 HG22 VAL 18 1HG2 VAL 18 1.019 -2.705 -1.938 139 HG23 VAL 18 2HG2 VAL 18 2.105 -3.872 -1.182 140 H HIS 19 H HIS 19 4.294 0.281 0.733 141 HA HIS 19 HA HIS 19 3.055 0.590 3.369 142 HB2 HIS 19 2HB HIS 19 5.661 1.942 3.131 143 HB3 HIS 19 1HB HIS 19 4.896 1.202 4.523 144 HD1 HIS 19 1HD HIS 19 5.613 -1.157 5.136 145 HD2 HIS 19 2HD HIS 19 7.225 0.242 1.614 146 HE1 HIS 19 1HE HIS 19 7.387 -2.829 4.501 147 HE2 HIS 19 2HE HIS 19 8.261 -2.038 2.272 148 H VAL 20 H VAL 20 2.187 2.518 3.746 149 HA VAL 20 HA VAL 20 2.587 4.601 1.711 150 HB VAL 20 HB VAL 20 0.425 4.467 3.831 151 HG11 VAL 20 1HG1 VAL 20 0.984 6.753 3.134 152 HG12 VAL 20 2HG1 VAL 20 -0.616 6.291 2.552 153 HG13 VAL 20 3HG1 VAL 20 0.754 6.302 1.445 154 HG21 VAL 20 3HG2 VAL 20 0.198 2.676 2.144 155 HG22 VAL 20 1HG2 VAL 20 0.206 3.899 0.872 156 HG23 VAL 20 2HG2 VAL 20 -1.106 3.861 2.049 157 H PHE 21 H PHE 21 3.776 6.308 2.254 158 HA PHE 21 HA PHE 21 4.947 6.208 4.923 159 HB2 PHE 21 2HB PHE 21 5.884 7.396 2.314 160 HB3 PHE 21 1HB PHE 21 6.748 7.601 3.833 161 HD1 PHE 21 1HD PHE 21 5.841 5.175 1.167 162 HD2 PHE 21 2HD PHE 21 7.920 5.774 4.852 163 HE1 PHE 21 1HE PHE 21 7.056 3.073 0.842 164 HE2 PHE 21 2HE PHE 21 9.129 3.668 4.509 165 HZ PHE 21 HZ PHE 21 8.700 2.317 2.503 166 H LYS 22 H LYS 22 5.499 8.202 6.026 167 HA LYS 22 HA LYS 22 3.241 9.825 6.426 168 HB2 LYS 22 2HB LYS 22 6.090 9.923 7.360 169 HB3 LYS 22 1HB LYS 22 5.016 11.273 7.700 170 HG2 LYS 22 2HG LYS 22 3.559 9.889 8.983 171 HG3 LYS 22 1HG LYS 22 4.417 8.429 8.483 172 HD2 LYS 22 2HD LYS 22 4.992 9.207 10.782 173 HD3 LYS 22 1HD LYS 22 6.376 9.088 9.695 174 HE2 LYS 22 2HE LYS 22 6.557 11.121 10.952 175 HE3 LYS 22 1HE LYS 22 6.199 11.521 9.274 176 HZ1 LYS 22 3HZ LYS 22 4.244 11.474 11.512 177 HZ2 LYS 22 1HZ LYS 22 3.868 11.832 9.895 178 HZ3 LYS 22 2HZ LYS 22 4.883 12.861 10.778 179 H ASP 23 H ASP 23 5.866 10.113 4.239 180 HA ASP 23 HA ASP 23 5.462 12.965 3.871 181 HB2 ASP 23 2HB ASP 23 7.436 12.764 2.316 182 HB3 ASP 23 1HB ASP 23 7.777 12.374 3.995 183 H GLY 24 H GLY 24 4.020 10.275 3.015 184 HA2 GLY 24 2HA GLY 24 2.088 10.376 1.762 185 HA3 GLY 24 1HA GLY 24 2.764 11.709 0.870 186 H LYS 25 H LYS 25 5.215 9.559 0.698 187 HA LYS 25 HA LYS 25 4.237 8.546 -1.819 188 HB2 LYS 25 2HB LYS 25 6.929 8.373 -0.489 189 HB3 LYS 25 1HB LYS 25 6.556 7.674 -2.058 190 HG2 LYS 25 2HG LYS 25 6.958 9.610 -3.046 191 HG3 LYS 25 1HG LYS 25 5.736 10.401 -2.046 192 HD2 LYS 25 2HD LYS 25 7.927 11.457 -1.790 193 HD3 LYS 25 1HD LYS 25 7.369 10.725 -0.282 194 HE2 LYS 25 2HE LYS 25 8.750 8.740 -0.770 195 HE3 LYS 25 1HE LYS 25 9.360 9.546 -2.217 196 HZ1 LYS 25 3HZ LYS 25 10.308 11.273 -0.812 197 HZ2 LYS 25 1HZ LYS 25 10.891 9.744 -0.361 198 HZ3 LYS 25 2HZ LYS 25 9.697 10.505 0.574 199 H MET 26 H MET 26 5.191 6.192 -2.229 200 HA MET 26 HA MET 26 4.492 4.444 -0.012 201 HB2 MET 26 2HB MET 26 3.244 4.373 -2.763 202 HB3 MET 26 1HB MET 26 3.165 3.033 -1.630 203 HG2 MET 26 2HG MET 26 1.143 4.109 -1.337 204 HG3 MET 26 1HG MET 26 2.124 4.716 -0.011 205 HE1 MET 26 3HE MET 26 2.274 5.781 -3.822 206 HE2 MET 26 1HE MET 26 1.150 7.139 -3.819 207 HE3 MET 26 2HE MET 26 0.560 5.505 -3.516 208 H GLY 27 H GLY 27 5.476 2.431 -0.083 209 HA2 GLY 27 2HA GLY 27 7.364 2.004 -2.300 210 HA3 GLY 27 1HA GLY 27 7.899 1.886 -0.632 211 H MET 28 H MET 28 7.844 -0.153 -2.793 212 HA MET 28 HA MET 28 6.191 -2.142 -1.381 213 HB2 MET 28 2HB MET 28 5.128 -1.567 -3.484 214 HB3 MET 28 1HB MET 28 6.627 -1.847 -4.358 215 HG2 MET 28 2HG MET 28 6.521 -4.216 -3.802 216 HG3 MET 28 1HG MET 28 5.030 -3.942 -2.900 217 HE1 MET 28 3HE MET 28 4.019 -5.969 -4.397 218 HE2 MET 28 1HE MET 28 5.515 -6.068 -5.321 219 HE3 MET 28 2HE MET 28 3.970 -5.931 -6.159 220 H GLU 29 H GLU 29 6.989 -4.162 -1.130 221 HA GLU 29 HA GLU 29 9.598 -4.839 -2.313 222 HB2 GLU 29 2HB GLU 29 8.681 -5.489 0.504 223 HB3 GLU 29 1HB GLU 29 10.084 -6.207 -0.271 224 HG2 GLU 29 2HG GLU 29 11.149 -4.601 0.861 225 HG3 GLU 29 1HG GLU 29 10.718 -3.631 -0.548 226 H ASN 30 H ASN 30 9.828 -7.162 -2.690 227 HA ASN 30 HA ASN 30 7.263 -8.440 -3.176 228 HB2 ASN 30 2HB ASN 30 8.625 -10.258 -4.205 229 HB3 ASN 30 1HB ASN 30 8.941 -8.677 -4.910 230 HD21 ASN 30 1HD2 ASN 30 10.931 -9.526 -5.669 231 HD22 ASN 30 2HD2 ASN 30 12.285 -9.655 -4.600 232 H LYS 31 H LYS 31 6.979 -10.788 -2.492 233 HA LYS 31 HA LYS 31 7.161 -11.235 0.182 234 HB2 LYS 31 2HB LYS 31 6.871 -13.624 -0.263 235 HB3 LYS 31 1HB LYS 31 5.802 -12.625 -1.232 236 HG2 LYS 31 2HG LYS 31 7.207 -12.962 -3.175 237 HG3 LYS 31 1HG LYS 31 8.352 -13.896 -2.204 238 HD2 LYS 31 2HD LYS 31 6.580 -15.527 -1.713 239 HD3 LYS 31 1HD LYS 31 5.463 -14.602 -2.716 240 HE2 LYS 31 2HE LYS 31 6.826 -15.017 -4.675 241 HE3 LYS 31 1HE LYS 31 8.029 -15.852 -3.692 242 HZ1 LYS 31 3HZ LYS 31 5.221 -16.729 -4.126 243 HZ2 LYS 31 1HZ LYS 31 6.359 -17.532 -3.154 244 HZ3 LYS 31 2HZ LYS 31 6.602 -17.420 -4.829 245 H PHE 32 H PHE 32 9.846 -11.243 -1.911 246 HA PHE 32 HA PHE 32 11.421 -12.982 -0.183 247 HB2 PHE 32 2HB PHE 32 12.260 -11.467 -2.667 248 HB3 PHE 32 1HB PHE 32 13.220 -12.671 -1.813 249 HD1 PHE 32 1HD PHE 32 11.857 -14.975 -1.453 250 HD2 PHE 32 2HD PHE 32 11.238 -12.157 -4.582 251 HE1 PHE 32 1HE PHE 32 10.880 -16.746 -2.850 252 HE2 PHE 32 2HE PHE 32 10.261 -13.924 -5.986 253 HZ PHE 32 HZ PHE 32 10.046 -16.218 -5.100 254 H GLY 33 H GLY 33 10.409 -9.857 -0.119 255 HA2 GLY 33 2HA GLY 33 10.961 -8.247 1.429 256 HA3 GLY 33 1HA GLY 33 12.368 -9.197 1.880 257 H LYS 34 H LYS 34 11.869 -8.523 -1.433 258 HA LYS 34 HA LYS 34 14.193 -6.739 -1.330 259 HB2 LYS 34 2HB LYS 34 13.074 -8.229 -3.703 260 HB3 LYS 34 1HB LYS 34 14.581 -7.314 -3.652 261 HG2 LYS 34 2HG LYS 34 13.982 -9.653 -1.915 262 HG3 LYS 34 1HG LYS 34 14.838 -9.786 -3.445 263 HD2 LYS 34 2HD LYS 34 15.725 -8.108 -1.093 264 HD3 LYS 34 1HD LYS 34 16.300 -9.741 -1.408 265 HE2 LYS 34 2HE LYS 34 17.964 -8.327 -2.262 266 HE3 LYS 34 1HE LYS 34 17.059 -8.870 -3.671 267 HZ1 LYS 34 3HZ LYS 34 17.615 -6.448 -3.604 268 HZ2 LYS 34 1HZ LYS 34 16.537 -6.293 -2.310 269 HZ3 LYS 34 2HZ LYS 34 15.974 -6.792 -3.829 270 H SER 35 H SER 35 14.216 -4.839 -2.125 271 HA SER 35 HA SER 35 11.680 -3.500 -2.250 272 HB2 SER 35 2HB SER 35 13.141 -1.442 -2.459 273 HB3 SER 35 1HB SER 35 13.378 -2.414 -1.008 274 HG SER 35 HG SER 35 15.379 -1.877 -1.906 275 H MET 36 H MET 36 10.542 -3.099 -3.993 276 HA MET 36 HA MET 36 11.847 -2.351 -6.463 277 HB2 MET 36 2HB MET 36 10.297 -4.022 -7.711 278 HB3 MET 36 1HB MET 36 11.811 -4.594 -7.036 279 HG2 MET 36 2HG MET 36 10.171 -6.224 -6.568 280 HG3 MET 36 1HG MET 36 10.526 -5.404 -5.052 281 HE1 MET 36 3HE MET 36 8.312 -4.044 -8.017 282 HE2 MET 36 1HE MET 36 6.715 -4.613 -7.538 283 HE3 MET 36 2HE MET 36 7.956 -5.771 -8.015 284 H ASN 37 H ASN 37 10.476 -1.204 -7.886 285 HA ASN 37 HA ASN 37 8.082 -0.214 -6.515 286 HB2 ASN 37 2HB ASN 37 8.184 1.719 -7.988 287 HB3 ASN 37 1HB ASN 37 9.735 1.480 -7.197 288 HD21 ASN 37 1HD2 ASN 37 11.507 0.866 -8.406 289 HD22 ASN 37 2HD2 ASN 37 11.528 0.947 -10.137 290 H MET 38 H MET 38 6.075 -0.252 -7.435 291 HA MET 38 HA MET 38 5.790 -2.149 -9.629 292 HB2 MET 38 2HB MET 38 3.537 -2.487 -8.857 293 HB3 MET 38 1HB MET 38 4.625 -2.616 -7.488 294 HG2 MET 38 2HG MET 38 2.996 -0.180 -8.169 295 HG3 MET 38 1HG MET 38 2.533 -1.404 -6.990 296 HE1 MET 38 3HE MET 38 2.547 1.566 -6.105 297 HE2 MET 38 1HE MET 38 3.422 1.478 -4.575 298 HE3 MET 38 2HE MET 38 2.262 0.219 -5.002 299 HA PRO 39 HA PRO 39 4.361 0.927 -12.461 300 HB2 PRO 39 2HB PRO 39 2.735 -0.593 -14.009 301 HB3 PRO 39 1HB PRO 39 4.499 -0.707 -14.076 302 HG2 PRO 39 2HG PRO 39 2.543 -2.448 -12.618 303 HG3 PRO 39 1HG PRO 39 3.948 -2.924 -13.594 304 HD2 PRO 39 2HD PRO 39 4.020 -2.841 -10.896 305 HD3 PRO 39 1HD PRO 39 5.439 -2.452 -11.886 306 H GLU 40 H GLU 40 2.550 2.162 -12.999 307 HA GLU 40 HA GLU 40 0.523 2.254 -10.976 308 HB2 GLU 40 2HB GLU 40 1.525 4.277 -12.059 309 HB3 GLU 40 1HB GLU 40 0.711 3.827 -13.553 310 HG2 GLU 40 2HG GLU 40 -1.446 3.922 -12.250 311 HG3 GLU 40 1HG GLU 40 -0.520 4.680 -10.958 312 H GLY 41 H GLY 41 -1.615 1.676 -11.120 313 HA2 GLY 41 2HA GLY 41 -3.577 1.502 -12.586 314 HA3 GLY 41 1HA GLY 41 -2.546 0.675 -13.738 315 H LYS 42 H LYS 42 -1.490 -0.654 -11.013 316 HA LYS 42 HA LYS 42 -3.219 -2.962 -11.415 317 HB2 LYS 42 2HB LYS 42 -0.714 -2.668 -9.772 318 HB3 LYS 42 1HB LYS 42 -1.569 -4.170 -10.070 319 HG2 LYS 42 2HG LYS 42 -1.118 -3.914 -12.481 320 HG3 LYS 42 1HG LYS 42 -0.178 -2.466 -12.111 321 HD2 LYS 42 2HD LYS 42 1.287 -4.404 -12.371 322 HD3 LYS 42 1HD LYS 42 1.325 -3.813 -10.707 323 HE2 LYS 42 2HE LYS 42 -0.316 -5.562 -10.091 324 HE3 LYS 42 1HE LYS 42 -0.250 -6.173 -11.741 325 HZ1 LYS 42 3HZ LYS 42 2.104 -6.650 -11.430 326 HZ2 LYS 42 1HZ LYS 42 1.161 -7.458 -10.277 327 HZ3 LYS 42 2HZ LYS 42 2.030 -6.070 -9.840 328 H VAL 43 H VAL 43 -5.026 -3.070 -10.188 329 HA VAL 43 HA VAL 43 -4.841 -2.404 -7.372 330 HB VAL 43 HB VAL 43 -6.978 -1.985 -8.512 331 HG11 VAL 43 1HG1 VAL 43 -7.157 -4.973 -8.822 332 HG12 VAL 43 2HG1 VAL 43 -6.992 -3.792 -10.124 333 HG13 VAL 43 3HG1 VAL 43 -8.458 -3.826 -9.139 334 HG21 VAL 43 3HG2 VAL 43 -7.129 -4.103 -6.377 335 HG22 VAL 43 1HG2 VAL 43 -8.448 -3.034 -6.852 336 HG23 VAL 43 2HG2 VAL 43 -6.988 -2.363 -6.128 337 H MET 44 H MET 44 -4.303 -3.795 -5.816 338 HA MET 44 HA MET 44 -3.858 -6.597 -6.631 339 HB2 MET 44 2HB MET 44 -2.132 -4.869 -4.849 340 HB3 MET 44 1HB MET 44 -1.852 -6.573 -5.188 341 HG2 MET 44 2HG MET 44 -1.422 -6.117 -7.489 342 HG3 MET 44 1HG MET 44 -1.916 -4.435 -7.303 343 HE1 MET 44 3HE MET 44 -0.558 -3.676 -4.507 344 HE2 MET 44 1HE MET 44 -0.537 -2.634 -5.929 345 HE3 MET 44 2HE MET 44 0.964 -2.990 -5.074 346 H GLU 45 H GLU 45 -4.018 -8.185 -4.974 347 HA GLU 45 HA GLU 45 -5.910 -7.432 -2.895 348 HB2 GLU 45 2HB GLU 45 -5.182 -9.959 -4.249 349 HB3 GLU 45 1HB GLU 45 -5.678 -10.085 -2.567 350 HG2 GLU 45 2HG GLU 45 -7.775 -9.088 -3.019 351 HG3 GLU 45 1HG GLU 45 -7.285 -8.663 -4.665 352 H THR 46 H THR 46 -5.607 -7.637 -0.804 353 HA THR 46 HA THR 46 -2.827 -7.976 0.088 354 HB THR 46 HB THR 46 -3.426 -6.729 2.071 355 HG1 THR 46 1HG THR 46 -5.786 -5.802 1.784 356 HG21 THR 46 3HG2 THR 46 -4.068 -4.567 1.079 357 HG22 THR 46 1HG2 THR 46 -4.519 -5.396 -0.411 358 HG23 THR 46 2HG2 THR 46 -2.836 -5.389 0.121 359 H ARG 47 H ARG 47 -2.466 -9.086 2.120 360 HA ARG 47 HA ARG 47 -3.752 -11.512 2.560 361 HB2 ARG 47 2HB ARG 47 -2.062 -9.696 4.259 362 HB3 ARG 47 1HB ARG 47 -2.682 -11.214 4.882 363 HG2 ARG 47 2HG ARG 47 -1.225 -11.248 2.291 364 HG3 ARG 47 1HG ARG 47 -0.297 -11.026 3.775 365 HD2 ARG 47 2HD ARG 47 -0.896 -13.087 4.614 366 HD3 ARG 47 1HD ARG 47 -2.312 -13.218 3.573 367 HE ARG 47 HE ARG 47 -0.770 -13.635 1.718 368 HH11 ARG 47 1HH1 ARG 47 0.521 -13.982 4.959 369 HH12 ARG 47 2HH1 ARG 47 1.738 -15.127 4.479 370 HH21 ARG 47 1HH2 ARG 47 0.847 -15.120 1.095 371 HH22 ARG 47 2HH2 ARG 47 1.935 -15.751 2.291 372 H ASP 48 H ASP 48 -4.695 -8.361 3.352 373 HA ASP 48 HA ASP 48 -6.182 -9.059 5.735 374 HB2 ASP 48 2HB ASP 48 -4.838 -7.098 5.777 375 HB3 ASP 48 1HB ASP 48 -5.554 -6.489 4.290 376 H GLY 49 H GLY 49 -6.784 -9.303 2.524 377 HA2 GLY 49 2HA GLY 49 -8.777 -9.936 1.514 378 HA3 GLY 49 1HA GLY 49 -9.624 -9.533 3.004 379 H THR 50 H THR 50 -7.492 -7.175 1.808 380 HA THR 50 HA THR 50 -9.761 -5.660 0.738 381 HB THR 50 HB THR 50 -8.298 -3.629 1.335 382 HG1 THR 50 1HG THR 50 -7.181 -5.070 3.420 383 HG21 THR 50 3HG2 THR 50 -10.340 -4.212 2.547 384 HG22 THR 50 1HG2 THR 50 -9.104 -3.573 3.631 385 HG23 THR 50 2HG2 THR 50 -9.420 -5.309 3.577 386 H LYS 51 H LYS 51 -8.920 -3.876 -0.792 387 HA LYS 51 HA LYS 51 -6.761 -4.955 -2.458 388 HB2 LYS 51 2HB LYS 51 -9.398 -3.821 -3.399 389 HB3 LYS 51 1HB LYS 51 -8.028 -4.144 -4.453 390 HG2 LYS 51 2HG LYS 51 -8.124 -6.515 -3.820 391 HG3 LYS 51 1HG LYS 51 -9.537 -6.171 -2.822 392 HD2 LYS 51 2HD LYS 51 -10.749 -5.416 -4.811 393 HD3 LYS 51 1HD LYS 51 -9.338 -5.784 -5.809 394 HE2 LYS 51 2HE LYS 51 -9.490 -8.134 -5.135 395 HE3 LYS 51 1HE LYS 51 -10.905 -7.756 -4.154 396 HZ1 LYS 51 3HZ LYS 51 -12.047 -7.046 -6.190 397 HZ2 LYS 51 1HZ LYS 51 -11.580 -8.675 -6.253 398 HZ3 LYS 51 2HZ LYS 51 -10.697 -7.508 -7.109 399 H ILE 52 H ILE 52 -5.441 -3.477 -3.449 400 HA ILE 52 HA ILE 52 -5.908 -0.641 -2.869 401 HB ILE 52 HB ILE 52 -3.519 -0.361 -2.249 402 HG12 ILE 52 2HG1 ILE 52 -3.497 -3.384 -2.136 403 HG13 ILE 52 1HG1 ILE 52 -2.669 -2.408 -3.343 404 HG21 ILE 52 1HG2 ILE 52 -5.250 -0.528 -0.524 405 HG22 ILE 52 2HG2 ILE 52 -3.712 -1.187 0.026 406 HG23 ILE 52 3HG2 ILE 52 -5.013 -2.275 -0.462 407 HD11 ILE 52 3HD1 ILE 52 -1.125 -3.185 -1.655 408 HD12 ILE 52 1HD1 ILE 52 -2.095 -2.437 -0.389 409 HD13 ILE 52 2HD1 ILE 52 -1.280 -1.430 -1.583 410 H ILE 53 H ILE 53 -4.623 0.790 -4.176 411 HA ILE 53 HA ILE 53 -2.964 -0.291 -6.260 412 HB ILE 53 HB ILE 53 -4.965 -0.613 -7.523 413 HG12 ILE 53 2HG1 ILE 53 -3.432 1.853 -8.331 414 HG13 ILE 53 1HG1 ILE 53 -3.270 0.210 -8.943 415 HG21 ILE 53 1HG2 ILE 53 -6.530 1.277 -8.005 416 HG22 ILE 53 2HG2 ILE 53 -5.710 2.201 -6.745 417 HG23 ILE 53 3HG2 ILE 53 -6.554 0.706 -6.343 418 HD11 ILE 53 3HD1 ILE 53 -5.589 2.066 -9.440 419 HD12 ILE 53 1HD1 ILE 53 -5.436 0.418 -10.054 420 HD13 ILE 53 2HD1 ILE 53 -4.303 1.666 -10.580 421 H MET 54 H MET 54 -1.783 1.345 -7.391 422 HA MET 54 HA MET 54 -1.815 3.955 -6.018 423 HB2 MET 54 2HB MET 54 0.255 2.776 -5.493 424 HB3 MET 54 1HB MET 54 0.532 2.437 -7.195 425 HG2 MET 54 2HG MET 54 0.748 4.852 -7.616 426 HG3 MET 54 1HG MET 54 0.547 5.146 -5.891 427 HE1 MET 54 3HE MET 54 3.035 6.211 -7.634 428 HE2 MET 54 1HE MET 54 4.344 5.918 -6.490 429 HE3 MET 54 2HE MET 54 2.800 6.552 -5.920 430 H LYS 55 H LYS 55 -2.858 5.277 -7.370 431 HA LYS 55 HA LYS 55 -1.822 5.506 -10.083 432 HB2 LYS 55 2HB LYS 55 -3.924 3.982 -9.942 433 HB3 LYS 55 1HB LYS 55 -4.790 5.505 -9.752 434 HG2 LYS 55 2HG LYS 55 -3.989 6.301 -11.849 435 HG3 LYS 55 1HG LYS 55 -2.897 4.928 -12.013 436 HD2 LYS 55 2HD LYS 55 -4.920 3.453 -12.010 437 HD3 LYS 55 1HD LYS 55 -5.893 4.917 -12.115 438 HE2 LYS 55 2HE LYS 55 -3.887 3.874 -14.101 439 HE3 LYS 55 1HE LYS 55 -5.621 4.106 -14.336 440 HZ1 LYS 55 3HZ LYS 55 -5.261 6.511 -14.090 441 HZ2 LYS 55 1HZ LYS 55 -4.402 5.866 -15.404 442 HZ3 LYS 55 2HZ LYS 55 -3.589 6.243 -13.969 443 H GLY 56 H GLY 56 -2.112 7.517 -11.026 444 HA2 GLY 56 2HA GLY 56 -2.145 9.815 -10.982 445 HA3 GLY 56 1HA GLY 56 -3.497 9.669 -9.868 446 H ASN 57 H ASN 57 -0.302 8.385 -9.239 447 HA ASN 57 HA ASN 57 1.324 8.870 -7.722 448 HB2 ASN 57 2HB ASN 57 1.245 11.181 -8.626 449 HB3 ASN 57 1HB ASN 57 -0.004 11.579 -7.451 450 HD21 ASN 57 1HD2 ASN 57 0.545 11.820 -5.294 451 HD22 ASN 57 2HD2 ASN 57 2.189 11.986 -4.776 452 H GLU 58 H GLU 58 -1.876 8.751 -7.089 453 HA GLU 58 HA GLU 58 -1.656 8.959 -4.174 454 HB2 GLU 58 2HB GLU 58 -4.072 8.628 -5.956 455 HB3 GLU 58 1HB GLU 58 -4.133 8.701 -4.201 456 HG2 GLU 58 2HG GLU 58 -3.210 10.969 -4.267 457 HG3 GLU 58 1HG GLU 58 -3.174 10.896 -6.029 458 H ILE 59 H ILE 59 -3.234 7.255 -3.097 459 HA ILE 59 HA ILE 59 -2.983 4.679 -4.412 460 HB ILE 59 HB ILE 59 -1.456 5.373 -2.103 461 HG12 ILE 59 2HG1 ILE 59 -1.874 2.881 -3.747 462 HG13 ILE 59 1HG1 ILE 59 -0.568 4.055 -3.859 463 HG21 ILE 59 1HG2 ILE 59 -3.474 3.192 -1.575 464 HG22 ILE 59 2HG2 ILE 59 -3.342 4.728 -0.718 465 HG23 ILE 59 3HG2 ILE 59 -2.053 3.532 -0.586 466 HD11 ILE 59 3HD1 ILE 59 0.281 3.308 -1.698 467 HD12 ILE 59 1HD1 ILE 59 0.186 1.982 -2.856 468 HD13 ILE 59 2HD1 ILE 59 -1.031 2.136 -1.589 469 H PHE 60 H PHE 60 -4.807 3.674 -4.481 470 HA PHE 60 HA PHE 60 -7.047 4.486 -2.848 471 HB2 PHE 60 2HB PHE 60 -7.932 3.969 -4.868 472 HB3 PHE 60 1HB PHE 60 -6.590 2.932 -5.301 473 HD1 PHE 60 1HD PHE 60 -6.636 0.518 -4.621 474 HD2 PHE 60 2HD PHE 60 -9.957 3.105 -4.049 475 HE1 PHE 60 1HE PHE 60 -8.098 -1.430 -4.245 476 HE2 PHE 60 2HE PHE 60 -11.417 1.183 -3.674 477 HZ PHE 60 HZ PHE 60 -10.439 -1.183 -4.078 478 H ARG 61 H ARG 61 -7.064 3.822 -0.849 479 HA ARG 61 HA ARG 61 -6.631 0.957 -0.405 480 HB2 ARG 61 2HB ARG 61 -4.901 2.149 0.817 481 HB3 ARG 61 1HB ARG 61 -6.084 3.239 1.519 482 HG2 ARG 61 2HG ARG 61 -5.096 1.297 2.930 483 HG3 ARG 61 1HG ARG 61 -6.806 1.690 3.054 484 HD2 ARG 61 2HD ARG 61 -7.392 -0.139 1.631 485 HD3 ARG 61 1HD ARG 61 -5.707 -0.459 1.255 486 HE ARG 61 HE ARG 61 -5.733 -1.845 3.035 487 HH11 ARG 61 1HH1 ARG 61 -7.784 0.880 3.919 488 HH12 ARG 61 2HH1 ARG 61 -8.291 0.156 5.409 489 HH21 ARG 61 1HH2 ARG 61 -6.421 -2.777 4.988 490 HH22 ARG 61 2HH2 ARG 61 -7.517 -1.921 6.019 491 H LEU 62 H LEU 62 -8.466 0.043 -0.099 492 HA LEU 62 HA LEU 62 -10.773 -0.223 -0.164 493 HB2 LEU 62 2HB LEU 62 -10.213 1.476 2.190 494 HB3 LEU 62 1HB LEU 62 -11.884 1.397 1.663 495 HG LEU 62 HG LEU 62 -11.406 -0.233 3.421 496 HD11 LEU 62 1HD1 LEU 62 -12.284 -2.223 2.223 497 HD12 LEU 62 2HD1 LEU 62 -12.005 -1.381 0.696 498 HD13 LEU 62 3HD1 LEU 62 -13.164 -0.739 1.860 499 HD21 LEU 62 3HD2 LEU 62 -9.036 -0.590 2.835 500 HD22 LEU 62 1HD2 LEU 62 -9.549 -1.489 1.408 501 HD23 LEU 62 2HD2 LEU 62 -9.933 -2.101 3.017 502 H ASP 63 H ASP 63 -9.871 3.192 0.031 503 HA ASP 63 HA ASP 63 -10.664 5.070 -0.928 504 HB2 ASP 63 2HB ASP 63 -10.931 4.055 -3.058 505 HB3 ASP 63 1HB ASP 63 -12.333 3.143 -2.520 506 H GLU 64 H GLU 64 -13.135 2.740 -0.160 507 HA GLU 64 HA GLU 64 -15.129 4.462 0.781 508 HB2 GLU 64 2HB GLU 64 -14.480 1.672 1.753 509 HB3 GLU 64 1HB GLU 64 -16.024 2.497 1.911 510 HG2 GLU 64 2HG GLU 64 -14.809 1.973 -0.774 511 HG3 GLU 64 1HG GLU 64 -15.759 0.744 0.062 512 H ALA 65 H ALA 65 -12.381 2.982 2.437 513 HA ALA 65 HA ALA 65 -13.066 3.731 5.067 514 HB1 ALA 65 1HB ALA 65 -11.330 2.029 4.276 515 HB2 ALA 65 2HB ALA 65 -10.922 3.013 5.682 516 HB3 ALA 65 3HB ALA 65 -10.242 3.405 4.101 517 H LEU 66 H LEU 66 -11.274 5.308 2.530 518 HA LEU 66 HA LEU 66 -10.336 7.442 4.220 519 HB2 LEU 66 2HB LEU 66 -10.181 7.000 1.243 520 HB3 LEU 66 1HB LEU 66 -9.398 8.321 2.089 521 HG LEU 66 HG LEU 66 -8.810 5.533 2.972 522 HD11 LEU 66 1HD1 LEU 66 -8.561 5.269 0.628 523 HD12 LEU 66 2HD1 LEU 66 -6.945 5.473 1.307 524 HD13 LEU 66 3HD1 LEU 66 -7.729 6.819 0.478 525 HD21 LEU 66 3HD2 LEU 66 -6.622 6.516 3.450 526 HD22 LEU 66 1HD2 LEU 66 -7.918 7.428 4.223 527 HD23 LEU 66 2HD2 LEU 66 -7.156 8.047 2.757 528 H ARG 67 H ARG 67 -12.789 7.040 1.681 529 HA ARG 67 HA ARG 67 -13.497 9.772 1.534 530 HB2 ARG 67 2HB ARG 67 -15.467 9.029 0.310 531 HB3 ARG 67 1HB ARG 67 -14.046 8.153 -0.237 532 HG2 ARG 67 2HG ARG 67 -14.709 6.237 1.139 533 HG3 ARG 67 1HG ARG 67 -16.157 7.113 1.636 534 HD2 ARG 67 2HD ARG 67 -15.466 6.468 -1.225 535 HD3 ARG 67 1HD ARG 67 -16.511 5.472 -0.212 536 HE ARG 67 HE ARG 67 -17.176 8.297 -0.702 537 HH11 ARG 67 1HH1 ARG 67 -17.925 4.883 -1.005 538 HH12 ARG 67 2HH1 ARG 67 -19.579 5.169 -1.477 539 HH21 ARG 67 1HH2 ARG 67 -19.325 8.667 -1.339 540 HH22 ARG 67 2HH2 ARG 67 -20.362 7.324 -1.710 541 H LYS 68 H LYS 68 -14.675 7.107 3.526 542 HA LYS 68 HA LYS 68 -16.569 8.938 4.805 543 HB2 LYS 68 2HB LYS 68 -16.323 5.935 5.018 544 HB3 LYS 68 1HB LYS 68 -17.514 6.913 5.864 545 HG2 LYS 68 2HG LYS 68 -18.377 7.682 3.680 546 HG3 LYS 68 1HG LYS 68 -17.251 6.586 2.886 547 HD2 LYS 68 2HD LYS 68 -19.429 5.777 4.806 548 HD3 LYS 68 1HD LYS 68 -19.510 5.638 3.050 549 HE2 LYS 68 2HE LYS 68 -17.465 4.176 3.182 550 HE3 LYS 68 1HE LYS 68 -17.665 4.183 4.934 551 HZ1 LYS 68 3HZ LYS 68 -19.928 3.272 4.592 552 HZ2 LYS 68 1HZ LYS 68 -18.701 2.235 4.040 553 HZ3 LYS 68 2HZ LYS 68 -19.596 3.147 2.930 554 H GLY 69 H GLY 69 -14.464 9.913 5.557 555 HA2 GLY 69 2HA GLY 69 -14.113 9.079 8.334 556 HA3 GLY 69 1HA GLY 69 -12.663 9.211 7.343 557 H HIS 70 H HIS 70 -15.624 11.149 7.591 558 HA HIS 70 HA HIS 70 -13.901 13.515 7.958 559 HB2 HIS 70 2HB HIS 70 -16.483 13.230 6.416 560 HB3 HIS 70 1HB HIS 70 -15.819 14.792 6.876 561 HD1 HIS 70 1HD HIS 70 -14.373 15.839 5.186 562 HD2 HIS 70 2HD HIS 70 -14.481 11.697 4.772 563 HE1 HIS 70 1HE HIS 70 -13.008 15.321 3.135 564 HE2 HIS 70 2HE HIS 70 -13.228 12.831 2.808 565 H SER 71 H SER 71 -13.984 13.929 10.080 566 HA SER 71 HA SER 71 -16.501 13.654 11.523 567 HB2 SER 71 2HB SER 71 -14.444 12.783 12.561 568 HB3 SER 71 1HB SER 71 -13.735 14.396 12.514 569 HG SER 71 HG SER 71 -15.257 13.346 14.400 570 H GLU 72 H GLU 72 -17.864 15.304 11.359 571 HA GLU 72 HA GLU 72 -16.804 18.044 11.259 572 HB2 GLU 72 2HB GLU 72 -18.416 17.334 9.506 573 HB3 GLU 72 1HB GLU 72 -19.614 17.032 10.757 574 HG2 GLU 72 2HG GLU 72 -19.536 19.412 11.366 575 HG3 GLU 72 1HG GLU 72 -18.384 19.688 10.060 576 H GLY 73 H GLY 73 -18.405 15.781 13.262 577 HA2 GLY 73 2HA GLY 73 -18.701 16.012 15.586 578 HA3 GLY 73 1HA GLY 73 -18.592 17.758 15.403 579 H GLY 74 H GLY 74 -20.453 18.402 16.360 580 HA2 GLY 74 2HA GLY 74 -22.889 17.961 14.877 581 HA3 GLY 74 1HA GLY 74 -22.899 17.277 16.499 Start of MODEL 9 1 H1 VAL 1 1HT VAL 1 12.790 -3.111 4.862 2 H2 VAL 1 2HT VAL 1 12.327 -2.828 3.252 3 H3 VAL 1 3HT VAL 1 11.242 -2.532 4.513 4 HA VAL 1 HA VAL 1 13.807 -1.104 4.200 5 HB VAL 1 HB VAL 1 12.504 0.839 3.452 6 HG11 VAL 1 2HG1 VAL 1 12.081 -1.588 1.714 7 HG12 VAL 1 3HG1 VAL 1 13.541 -0.601 1.781 8 HG13 VAL 1 1HG1 VAL 1 12.036 0.093 1.178 9 HG21 VAL 1 1HG2 VAL 1 10.179 0.565 2.707 10 HG22 VAL 1 2HG2 VAL 1 10.359 0.315 4.444 11 HG23 VAL 1 3HG2 VAL 1 10.173 -1.070 3.366 12 H ASP 2 H ASP 2 13.006 1.286 5.197 13 HA ASP 2 HA ASP 2 13.002 0.824 7.980 14 HB2 ASP 2 2HB ASP 2 14.039 2.813 7.025 15 HB3 ASP 2 1HB ASP 2 12.477 3.370 6.432 16 H MET 3 H MET 3 11.418 0.783 9.467 17 HA MET 3 HA MET 3 8.659 0.877 8.478 18 HB2 MET 3 2HB MET 3 9.861 -0.393 10.937 19 HB3 MET 3 1HB MET 3 8.156 -0.443 10.510 20 HG2 MET 3 2HG MET 3 10.377 -1.530 8.809 21 HG3 MET 3 1HG MET 3 9.393 -2.486 9.910 22 HE1 MET 3 3HE MET 3 9.371 -3.782 7.380 23 HE2 MET 3 1HE MET 3 9.932 -2.359 6.502 24 HE3 MET 3 2HE MET 3 8.428 -3.152 6.028 25 H SER 4 H SER 4 10.577 3.088 9.648 26 HA SER 4 HA SER 4 8.984 3.902 11.968 27 HB2 SER 4 2HB SER 4 11.589 5.032 10.916 28 HB3 SER 4 1HB SER 4 10.818 5.437 12.450 29 HG SER 4 HG SER 4 11.707 2.833 11.708 30 H ASN 5 H ASN 5 9.677 4.766 8.677 31 HA ASN 5 HA ASN 5 8.305 7.345 9.010 32 HB2 ASN 5 2HB ASN 5 9.109 7.774 6.664 33 HB3 ASN 5 1HB ASN 5 10.374 7.602 7.867 34 HD21 ASN 5 1HD2 ASN 5 8.646 4.855 6.597 35 HD22 ASN 5 2HD2 ASN 5 9.976 4.197 5.711 36 H VAL 6 H VAL 6 7.280 4.426 8.656 37 HA VAL 6 HA VAL 6 5.478 5.059 6.442 38 HB VAL 6 HB VAL 6 6.728 3.024 6.101 39 HG11 VAL 6 1HG1 VAL 6 7.112 2.356 8.410 40 HG12 VAL 6 2HG1 VAL 6 6.411 1.046 7.457 41 HG13 VAL 6 3HG1 VAL 6 5.402 1.959 8.583 42 HG21 VAL 6 3HG2 VAL 6 4.519 3.186 5.169 43 HG22 VAL 6 1HG2 VAL 6 3.814 2.562 6.660 44 HG23 VAL 6 2HG2 VAL 6 4.836 1.522 5.671 45 H VAL 7 H VAL 7 3.431 5.476 6.758 46 HA VAL 7 HA VAL 7 2.397 5.455 9.464 47 HB VAL 7 HB VAL 7 0.324 6.410 8.481 48 HG11 VAL 7 1HG1 VAL 7 2.098 7.875 9.265 49 HG12 VAL 7 2HG1 VAL 7 1.302 8.565 7.848 50 HG13 VAL 7 3HG1 VAL 7 2.881 7.795 7.686 51 HG21 VAL 7 3HG2 VAL 7 0.436 5.352 6.278 52 HG22 VAL 7 1HG2 VAL 7 1.860 6.323 5.888 53 HG23 VAL 7 2HG2 VAL 7 0.296 7.105 6.147 54 H LYS 8 H LYS 8 2.202 3.438 6.687 55 HA LYS 8 HA LYS 8 1.007 1.343 8.161 56 HB2 LYS 8 2HB LYS 8 -1.070 2.521 7.771 57 HB3 LYS 8 1HB LYS 8 -0.725 2.647 6.051 58 HG2 LYS 8 2HG LYS 8 -2.357 0.905 6.471 59 HG3 LYS 8 1HG LYS 8 -0.856 0.209 5.854 60 HD2 LYS 8 2HD LYS 8 -0.200 -0.366 8.156 61 HD3 LYS 8 1HD LYS 8 -1.738 0.275 8.739 62 HE2 LYS 8 2HE LYS 8 -2.957 -1.385 7.498 63 HE3 LYS 8 1HE LYS 8 -1.475 -1.960 6.738 64 HZ1 LYS 8 3HZ LYS 8 -2.299 -3.336 8.621 65 HZ2 LYS 8 1HZ LYS 8 -1.953 -2.048 9.665 66 HZ3 LYS 8 2HZ LYS 8 -0.703 -2.800 8.801 67 H THR 9 H THR 9 1.711 -0.460 7.432 68 HA THR 9 HA THR 9 2.800 -0.605 4.712 69 HB THR 9 HB THR 9 3.264 -2.259 7.168 70 HG1 THR 9 1HG THR 9 4.823 -0.920 7.469 71 HG21 THR 9 3HG2 THR 9 4.395 -2.668 4.410 72 HG22 THR 9 1HG2 THR 9 3.331 -3.772 5.280 73 HG23 THR 9 2HG2 THR 9 4.971 -3.485 5.862 74 H TYR 10 H TYR 10 2.035 -2.103 3.270 75 HA TYR 10 HA TYR 10 -0.393 -3.501 4.112 76 HB2 TYR 10 2HB TYR 10 0.356 -2.263 1.493 77 HB3 TYR 10 1HB TYR 10 -0.931 -3.466 1.614 78 HD1 TYR 10 2HD TYR 10 -2.500 -2.959 3.829 79 HD2 TYR 10 1HD TYR 10 -0.342 -0.142 1.498 80 HE1 TYR 10 2HE TYR 10 -4.076 -1.195 4.503 81 HE2 TYR 10 1HE TYR 10 -1.891 1.614 2.141 82 HH TYR 10 HH TYR 10 -4.182 1.834 2.946 83 H ASP 11 H ASP 11 -0.481 -5.477 4.165 84 HA ASP 11 HA ASP 11 1.778 -7.034 3.149 85 HB2 ASP 11 2HB ASP 11 -0.327 -7.546 5.229 86 HB3 ASP 11 1HB ASP 11 0.600 -8.876 4.547 87 H LEU 12 H LEU 12 1.587 -7.961 1.303 88 HA LEU 12 HA LEU 12 -1.057 -8.310 0.106 89 HB2 LEU 12 2HB LEU 12 1.639 -8.836 -1.158 90 HB3 LEU 12 1HB LEU 12 0.091 -8.762 -1.980 91 HG LEU 12 HG LEU 12 1.773 -6.521 -0.921 92 HD11 LEU 12 1HD1 LEU 12 1.974 -7.229 -3.263 93 HD12 LEU 12 2HD1 LEU 12 1.358 -5.585 -3.113 94 HD13 LEU 12 3HD1 LEU 12 0.257 -6.908 -3.496 95 HD21 LEU 12 3HD2 LEU 12 -1.185 -6.339 -1.492 96 HD22 LEU 12 1HD2 LEU 12 -0.101 -4.974 -1.214 97 HD23 LEU 12 2HD2 LEU 12 -0.410 -6.132 0.080 98 H GLN 13 H GLN 13 -1.714 -10.354 -0.789 99 HA GLN 13 HA GLN 13 -1.174 -12.506 0.983 100 HB2 GLN 13 2HB GLN 13 -3.349 -12.082 -0.178 101 HB3 GLN 13 1HB GLN 13 -2.598 -12.604 -1.679 102 HG2 GLN 13 2HG GLN 13 -2.286 -14.812 -0.833 103 HG3 GLN 13 1HG GLN 13 -2.809 -14.321 0.778 104 HE21 GLN 13 1HE2 GLN 13 -4.350 -13.199 -2.145 105 HE22 GLN 13 2HE2 GLN 13 -5.839 -14.057 -1.919 106 H ASP 14 H ASP 14 0.575 -11.331 -1.545 107 HA ASP 14 HA ASP 14 1.625 -13.895 -2.467 108 HB2 ASP 14 2HB ASP 14 2.378 -11.102 -3.374 109 HB3 ASP 14 1HB ASP 14 2.759 -12.616 -4.182 110 H GLY 15 H GLY 15 2.098 -11.677 -0.077 111 HA2 GLY 15 2HA GLY 15 3.780 -11.946 1.596 112 HA3 GLY 15 1HA GLY 15 4.870 -12.548 0.359 113 H SER 16 H SER 16 3.800 -10.277 -1.374 114 HA SER 16 HA SER 16 5.961 -8.530 -1.019 115 HB2 SER 16 2HB SER 16 3.380 -7.859 -2.434 116 HB3 SER 16 1HB SER 16 4.998 -7.260 -2.794 117 HG SER 16 HG SER 16 5.396 -9.002 -3.924 118 H LYS 17 H LYS 17 6.068 -6.436 -0.208 119 HA LYS 17 HA LYS 17 3.896 -5.726 1.646 120 HB2 LYS 17 2HB LYS 17 6.873 -5.291 2.004 121 HB3 LYS 17 1HB LYS 17 5.614 -4.860 3.161 122 HG2 LYS 17 2HG LYS 17 5.057 -7.196 3.468 123 HG3 LYS 17 1HG LYS 17 6.241 -7.659 2.244 124 HD2 LYS 17 2HD LYS 17 8.038 -6.756 3.639 125 HD3 LYS 17 1HD LYS 17 6.851 -6.294 4.864 126 HE2 LYS 17 2HE LYS 17 6.223 -8.621 5.162 127 HE3 LYS 17 1HE LYS 17 7.349 -9.107 3.898 128 HZ1 LYS 17 3HZ LYS 17 8.223 -9.454 6.140 129 HZ2 LYS 17 1HZ LYS 17 8.128 -7.795 6.445 130 HZ3 LYS 17 2HZ LYS 17 9.184 -8.378 5.254 131 H VAL 18 H VAL 18 2.990 -3.842 1.252 132 HA VAL 18 HA VAL 18 4.464 -1.830 -0.318 133 HB VAL 18 HB VAL 18 1.493 -2.146 0.200 134 HG11 VAL 18 1HG1 VAL 18 2.926 -0.024 -1.392 135 HG12 VAL 18 2HG1 VAL 18 1.987 0.219 0.084 136 HG13 VAL 18 3HG1 VAL 18 1.183 -0.291 -1.402 137 HG21 VAL 18 3HG2 VAL 18 2.344 -3.753 -1.394 138 HG22 VAL 18 1HG2 VAL 18 3.120 -2.463 -2.314 139 HG23 VAL 18 2HG2 VAL 18 1.361 -2.545 -2.222 140 H HIS 19 H HIS 19 4.417 0.384 0.465 141 HA HIS 19 HA HIS 19 3.412 0.690 3.209 142 HB2 HIS 19 2HB HIS 19 6.015 1.932 2.337 143 HB3 HIS 19 1HB HIS 19 5.343 1.861 3.953 144 HD1 HIS 19 1HD HIS 19 5.464 -0.571 5.137 145 HD2 HIS 19 2HD HIS 19 7.636 -0.017 1.682 146 HE1 HIS 19 1HE HIS 19 7.106 -2.475 5.071 147 HE2 HIS 19 2HE HIS 19 8.369 -2.188 2.904 148 H VAL 20 H VAL 20 2.245 2.467 3.453 149 HA VAL 20 HA VAL 20 2.573 4.616 1.490 150 HB VAL 20 HB VAL 20 0.521 4.398 3.709 151 HG11 VAL 20 1HG1 VAL 20 0.731 6.280 1.357 152 HG12 VAL 20 2HG1 VAL 20 0.997 6.694 3.049 153 HG13 VAL 20 3HG1 VAL 20 -0.610 6.215 2.502 154 HG21 VAL 20 3HG2 VAL 20 -1.076 3.756 2.027 155 HG22 VAL 20 1HG2 VAL 20 0.290 2.640 1.956 156 HG23 VAL 20 2HG2 VAL 20 0.133 3.922 0.754 157 H PHE 21 H PHE 21 4.034 6.064 1.996 158 HA PHE 21 HA PHE 21 5.208 5.922 4.635 159 HB2 PHE 21 2HB PHE 21 6.026 7.246 2.068 160 HB3 PHE 21 1HB PHE 21 6.908 7.494 3.566 161 HD1 PHE 21 2HD PHE 21 8.250 5.655 4.552 162 HD2 PHE 21 1HD PHE 21 6.091 5.146 0.901 163 HE1 PHE 21 2HE PHE 21 9.504 3.605 4.093 164 HE2 PHE 21 1HE PHE 21 7.359 3.088 0.455 165 HZ PHE 21 HZ PHE 21 9.133 2.342 2.128 166 H LYS 22 H LYS 22 5.735 7.798 5.841 167 HA LYS 22 HA LYS 22 3.470 9.284 6.491 168 HB2 LYS 22 2HB LYS 22 5.102 10.581 7.928 169 HB3 LYS 22 1HB LYS 22 5.111 8.831 8.140 170 HG2 LYS 22 2HG LYS 22 7.078 8.587 6.887 171 HG3 LYS 22 1HG LYS 22 7.044 10.278 6.369 172 HD2 LYS 22 2HD LYS 22 7.151 9.585 9.280 173 HD3 LYS 22 1HD LYS 22 8.624 9.561 8.309 174 HE2 LYS 22 2HE LYS 22 6.773 11.931 8.438 175 HE3 LYS 22 1HE LYS 22 8.143 11.716 9.528 176 HZ1 LYS 22 3HZ LYS 22 8.712 13.098 7.619 177 HZ2 LYS 22 1HZ LYS 22 8.312 11.835 6.559 178 HZ3 LYS 22 2HZ LYS 22 9.619 11.663 7.623 179 H ASP 23 H ASP 23 5.912 9.972 4.151 180 HA ASP 23 HA ASP 23 5.233 12.801 4.085 181 HB2 ASP 23 2HB ASP 23 7.405 11.275 2.637 182 HB3 ASP 23 1HB ASP 23 7.161 13.017 2.558 183 H GLY 24 H GLY 24 3.971 10.113 2.968 184 HA2 GLY 24 2HA GLY 24 2.131 10.169 1.578 185 HA3 GLY 24 1HA GLY 24 2.797 11.570 0.784 186 H LYS 25 H LYS 25 5.386 9.566 0.749 187 HA LYS 25 HA LYS 25 4.800 8.655 -1.899 188 HB2 LYS 25 2HB LYS 25 7.199 8.085 -0.149 189 HB3 LYS 25 1HB LYS 25 7.073 7.749 -1.867 190 HG2 LYS 25 2HG LYS 25 8.264 9.681 -1.909 191 HG3 LYS 25 1HG LYS 25 6.633 10.329 -2.020 192 HD2 LYS 25 2HD LYS 25 8.019 11.564 -0.406 193 HD3 LYS 25 1HD LYS 25 6.633 10.792 0.364 194 HE2 LYS 25 2HE LYS 25 8.603 10.491 1.735 195 HE3 LYS 25 1HE LYS 25 8.083 8.940 1.083 196 HZ1 LYS 25 3HZ LYS 25 10.461 9.156 0.944 197 HZ2 LYS 25 1HZ LYS 25 10.329 10.601 0.068 198 HZ3 LYS 25 2HZ LYS 25 9.810 9.139 -0.620 199 H MET 26 H MET 26 5.485 6.325 -2.398 200 HA MET 26 HA MET 26 4.615 4.461 -0.341 201 HB2 MET 26 2HB MET 26 3.473 4.645 -3.131 202 HB3 MET 26 1HB MET 26 3.348 3.194 -2.146 203 HG2 MET 26 2HG MET 26 1.328 4.255 -1.792 204 HG3 MET 26 1HG MET 26 2.283 4.722 -0.391 205 HE1 MET 26 3HE MET 26 2.402 5.973 -4.074 206 HE2 MET 26 1HE MET 26 1.529 7.505 -3.988 207 HE3 MET 26 2HE MET 26 0.661 5.986 -3.785 208 H GLY 27 H GLY 27 5.552 2.467 -0.460 209 HA2 GLY 27 2HA GLY 27 7.485 2.034 -2.635 210 HA3 GLY 27 1HA GLY 27 8.000 1.900 -0.959 211 H MET 28 H MET 28 7.839 -0.083 -3.199 212 HA MET 28 HA MET 28 6.053 -2.017 -1.875 213 HB2 MET 28 2HB MET 28 5.295 -1.323 -4.136 214 HB3 MET 28 1HB MET 28 6.805 -1.928 -4.801 215 HG2 MET 28 2HG MET 28 6.254 -4.174 -4.143 216 HG3 MET 28 1HG MET 28 4.799 -3.610 -3.324 217 HE1 MET 28 3HE MET 28 4.831 -5.971 -5.470 218 HE2 MET 28 1HE MET 28 3.388 -5.583 -6.408 219 HE3 MET 28 2HE MET 28 3.367 -5.421 -4.652 220 H GLU 29 H GLU 29 6.847 -3.908 -1.305 221 HA GLU 29 HA GLU 29 9.579 -4.629 -2.129 222 HB2 GLU 29 2HB GLU 29 8.340 -4.812 0.629 223 HB3 GLU 29 1HB GLU 29 9.783 -5.702 0.167 224 HG2 GLU 29 2HG GLU 29 10.975 -3.673 -0.248 225 HG3 GLU 29 1HG GLU 29 9.530 -2.712 0.056 226 H ASN 30 H ASN 30 9.960 -6.892 -2.261 227 HA ASN 30 HA ASN 30 7.550 -8.437 -2.791 228 HB2 ASN 30 2HB ASN 30 9.033 -10.096 -3.763 229 HB3 ASN 30 1HB ASN 30 9.467 -8.505 -4.379 230 HD21 ASN 30 1HD2 ASN 30 11.141 -10.751 -4.433 231 HD22 ASN 30 2HD2 ASN 30 12.508 -10.424 -3.415 232 H LYS 31 H LYS 31 7.420 -10.690 -1.919 233 HA LYS 31 HA LYS 31 7.437 -10.941 0.779 234 HB2 LYS 31 2HB LYS 31 7.299 -13.351 0.477 235 HB3 LYS 31 1HB LYS 31 6.301 -12.492 -0.686 236 HG2 LYS 31 2HG LYS 31 8.002 -12.846 -2.403 237 HG3 LYS 31 1HG LYS 31 8.998 -13.716 -1.230 238 HD2 LYS 31 2HD LYS 31 7.177 -15.345 -0.933 239 HD3 LYS 31 1HD LYS 31 6.231 -14.493 -2.154 240 HE2 LYS 31 2HE LYS 31 8.024 -14.936 -3.795 241 HE3 LYS 31 1HE LYS 31 8.887 -15.859 -2.565 242 HZ1 LYS 31 3HZ LYS 31 7.627 -17.309 -4.011 243 HZ2 LYS 31 1HZ LYS 31 6.191 -16.493 -3.637 244 HZ3 LYS 31 2HZ LYS 31 7.002 -17.376 -2.440 245 H PHE 32 H PHE 32 10.291 -10.459 -0.766 246 HA PHE 32 HA PHE 32 11.786 -12.153 1.101 247 HB2 PHE 32 2HB PHE 32 12.596 -11.039 -1.586 248 HB3 PHE 32 1HB PHE 32 13.719 -11.812 -0.474 249 HD1 PHE 32 1HD PHE 32 13.216 -14.213 0.228 250 HD2 PHE 32 2HD PHE 32 11.360 -12.306 -3.094 251 HE1 PHE 32 1HE PHE 32 12.628 -16.412 -0.702 252 HE2 PHE 32 2HE PHE 32 10.767 -14.502 -4.028 253 HZ PHE 32 HZ PHE 32 11.400 -16.558 -2.833 254 H GLY 33 H GLY 33 10.710 -9.044 0.663 255 HA2 GLY 33 2HA GLY 33 11.153 -7.280 2.074 256 HA3 GLY 33 1HA GLY 33 12.538 -8.161 2.689 257 H LYS 34 H LYS 34 12.170 -7.608 -0.739 258 HA LYS 34 HA LYS 34 14.130 -5.430 -0.483 259 HB2 LYS 34 2HB LYS 34 15.285 -6.104 -2.426 260 HB3 LYS 34 1HB LYS 34 15.050 -7.559 -1.480 261 HG2 LYS 34 2HG LYS 34 14.561 -8.331 -3.566 262 HG3 LYS 34 1HG LYS 34 12.951 -7.849 -3.032 263 HD2 LYS 34 2HD LYS 34 13.157 -5.744 -4.225 264 HD3 LYS 34 1HD LYS 34 14.808 -6.146 -4.694 265 HE2 LYS 34 2HE LYS 34 12.379 -7.752 -5.467 266 HE3 LYS 34 1HE LYS 34 13.116 -6.516 -6.484 267 HZ1 LYS 34 3HZ LYS 34 14.374 -9.049 -5.562 268 HZ2 LYS 34 1HZ LYS 34 15.198 -7.820 -6.399 269 HZ3 LYS 34 2HZ LYS 34 13.924 -8.645 -7.149 270 H SER 35 H SER 35 14.034 -3.746 -1.910 271 HA SER 35 HA SER 35 11.331 -2.936 -2.388 272 HB2 SER 35 2HB SER 35 12.523 -0.815 -3.242 273 HB3 SER 35 1HB SER 35 12.689 -1.236 -1.538 274 HG SER 35 HG SER 35 14.572 -1.768 -3.610 275 H MET 36 H MET 36 10.211 -2.948 -4.208 276 HA MET 36 HA MET 36 11.643 -3.490 -6.724 277 HB2 MET 36 2HB MET 36 9.702 -4.918 -7.392 278 HB3 MET 36 1HB MET 36 10.643 -5.569 -6.059 279 HG2 MET 36 2HG MET 36 8.987 -4.859 -4.472 280 HG3 MET 36 1HG MET 36 8.074 -4.040 -5.738 281 HE1 MET 36 3HE MET 36 6.708 -6.987 -7.873 282 HE2 MET 36 1HE MET 36 8.172 -6.042 -8.158 283 HE3 MET 36 2HE MET 36 6.699 -5.245 -7.604 284 H ASN 37 H ASN 37 9.879 -3.263 -8.586 285 HA ASN 37 HA ASN 37 9.079 -0.512 -8.541 286 HB2 ASN 37 2HB ASN 37 8.412 -0.838 -10.828 287 HB3 ASN 37 1HB ASN 37 9.923 -1.706 -10.586 288 HD21 ASN 37 1HD2 ASN 37 9.894 -3.982 -10.533 289 HD22 ASN 37 2HD2 ASN 37 8.563 -4.876 -11.184 290 H MET 38 H MET 38 6.903 0.263 -8.885 291 HA MET 38 HA MET 38 4.877 -1.586 -7.802 292 HB2 MET 38 2HB MET 38 5.537 0.171 -6.185 293 HB3 MET 38 1HB MET 38 5.059 1.399 -7.348 294 HG2 MET 38 2HG MET 38 2.762 0.691 -7.221 295 HG3 MET 38 1HG MET 38 3.199 -0.656 -6.173 296 HE1 MET 38 3HE MET 38 1.340 0.086 -4.417 297 HE2 MET 38 1HE MET 38 0.895 1.412 -5.492 298 HE3 MET 38 2HE MET 38 1.202 1.726 -3.785 299 HA PRO 39 HA PRO 39 2.920 -0.698 -11.674 300 HB2 PRO 39 2HB PRO 39 0.678 -2.152 -11.305 301 HB3 PRO 39 1HB PRO 39 2.250 -2.896 -11.616 302 HG2 PRO 39 2HG PRO 39 0.795 -2.547 -9.029 303 HG3 PRO 39 1HG PRO 39 1.718 -3.940 -9.616 304 HD2 PRO 39 2HD PRO 39 2.698 -2.101 -7.840 305 HD3 PRO 39 1HD PRO 39 3.716 -3.054 -8.939 306 H GLU 40 H GLU 40 1.357 0.622 -12.496 307 HA GLU 40 HA GLU 40 -0.287 2.096 -10.543 308 HB2 GLU 40 2HB GLU 40 1.324 3.499 -11.758 309 HB3 GLU 40 1HB GLU 40 0.684 2.926 -13.292 310 HG2 GLU 40 2HG GLU 40 -1.512 3.914 -12.665 311 HG3 GLU 40 1HG GLU 40 -0.736 4.609 -11.245 312 H GLY 41 H GLY 41 -2.502 2.208 -10.855 313 HA2 GLY 41 2HA GLY 41 -4.501 2.043 -12.063 314 HA3 GLY 41 1HA GLY 41 -3.619 1.288 -13.383 315 H LYS 42 H LYS 42 -2.332 -0.655 -11.623 316 HA LYS 42 HA LYS 42 -4.446 -2.619 -11.632 317 HB2 LYS 42 2HB LYS 42 -1.547 -2.840 -10.824 318 HB3 LYS 42 1HB LYS 42 -2.664 -4.189 -10.949 319 HG2 LYS 42 2HG LYS 42 -2.941 -3.689 -13.360 320 HG3 LYS 42 1HG LYS 42 -1.719 -2.426 -13.199 321 HD2 LYS 42 2HD LYS 42 -0.734 -4.482 -14.074 322 HD3 LYS 42 1HD LYS 42 -0.082 -4.105 -12.479 323 HE2 LYS 42 2HE LYS 42 -1.592 -5.722 -11.464 324 HE3 LYS 42 1HE LYS 42 -2.293 -6.077 -13.041 325 HZ1 LYS 42 3HZ LYS 42 0.528 -6.571 -12.238 326 HZ2 LYS 42 1HZ LYS 42 -0.133 -6.895 -13.768 327 HZ3 LYS 42 2HZ LYS 42 -0.682 -7.750 -12.411 328 H VAL 43 H VAL 43 -5.335 -3.636 -9.897 329 HA VAL 43 HA VAL 43 -4.869 -2.355 -7.320 330 HB VAL 43 HB VAL 43 -7.193 -2.394 -8.063 331 HG11 VAL 43 1HG1 VAL 43 -8.451 -4.497 -8.190 332 HG12 VAL 43 2HG1 VAL 43 -6.941 -5.394 -8.009 333 HG13 VAL 43 3HG1 VAL 43 -7.200 -4.384 -9.430 334 HG21 VAL 43 3HG2 VAL 43 -8.209 -3.315 -6.058 335 HG22 VAL 43 1HG2 VAL 43 -6.712 -2.469 -5.670 336 HG23 VAL 43 2HG2 VAL 43 -6.740 -4.232 -5.719 337 H MET 44 H MET 44 -3.944 -3.350 -5.680 338 HA MET 44 HA MET 44 -3.102 -6.139 -6.055 339 HB2 MET 44 2HB MET 44 -1.958 -3.854 -4.463 340 HB3 MET 44 1HB MET 44 -1.518 -5.516 -4.104 341 HG2 MET 44 2HG MET 44 0.160 -4.565 -5.501 342 HG3 MET 44 1HG MET 44 -0.728 -5.765 -6.432 343 HE1 MET 44 3HE MET 44 0.003 -1.936 -5.897 344 HE2 MET 44 1HE MET 44 -1.705 -2.077 -5.473 345 HE3 MET 44 2HE MET 44 -1.227 -1.202 -6.927 346 H GLU 45 H GLU 45 -3.539 -7.673 -4.522 347 HA GLU 45 HA GLU 45 -5.597 -6.918 -2.595 348 HB2 GLU 45 2HB GLU 45 -6.202 -8.564 -4.322 349 HB3 GLU 45 1HB GLU 45 -4.897 -9.609 -3.782 350 HG2 GLU 45 2HG GLU 45 -5.963 -9.892 -1.652 351 HG3 GLU 45 1HG GLU 45 -7.252 -8.783 -2.111 352 H THR 46 H THR 46 -5.518 -7.719 -0.503 353 HA THR 46 HA THR 46 -2.765 -8.067 0.478 354 HB THR 46 HB THR 46 -3.689 -7.376 2.687 355 HG1 THR 46 1HG THR 46 -5.953 -6.483 1.234 356 HG21 THR 46 3HG2 THR 46 -3.880 -4.993 2.119 357 HG22 THR 46 1HG2 THR 46 -4.064 -5.423 0.416 358 HG23 THR 46 2HG2 THR 46 -2.550 -5.764 1.254 359 H ARG 47 H ARG 47 -2.533 -9.401 2.503 360 HA ARG 47 HA ARG 47 -3.125 -12.002 2.217 361 HB2 ARG 47 2HB ARG 47 -2.979 -10.546 4.853 362 HB3 ARG 47 1HB ARG 47 -2.765 -12.273 4.633 363 HG2 ARG 47 2HG ARG 47 -0.792 -11.728 3.170 364 HG3 ARG 47 1HG ARG 47 -0.967 -10.051 3.701 365 HD2 ARG 47 2HD ARG 47 -0.910 -11.003 6.080 366 HD3 ARG 47 1HD ARG 47 -0.296 -12.476 5.335 367 HE ARG 47 HE ARG 47 1.063 -9.898 4.970 368 HH11 ARG 47 1HH1 ARG 47 1.127 -13.285 5.860 369 HH12 ARG 47 2HH1 ARG 47 2.836 -13.282 6.190 370 HH21 ARG 47 1HH2 ARG 47 3.275 -9.881 5.412 371 HH22 ARG 47 2HH2 ARG 47 4.059 -11.343 5.939 372 H ASP 48 H ASP 48 -5.308 -9.642 3.771 373 HA ASP 48 HA ASP 48 -6.976 -11.890 4.584 374 HB2 ASP 48 2HB ASP 48 -6.454 -10.310 6.355 375 HB3 ASP 48 1HB ASP 48 -7.163 -9.000 5.411 376 H GLY 49 H GLY 49 -7.250 -8.833 2.794 377 HA2 GLY 49 2HA GLY 49 -8.602 -9.629 0.667 378 HA3 GLY 49 1HA GLY 49 -9.876 -9.708 1.870 379 H THR 50 H THR 50 -7.407 -7.212 2.030 380 HA THR 50 HA THR 50 -9.430 -5.245 1.204 381 HB THR 50 HB THR 50 -6.768 -4.717 2.555 382 HG1 THR 50 1HG THR 50 -9.329 -5.321 3.619 383 HG21 THR 50 3HG2 THR 50 -7.773 -2.779 1.416 384 HG22 THR 50 1HG2 THR 50 -7.787 -2.568 3.166 385 HG23 THR 50 2HG2 THR 50 -9.267 -3.022 2.321 386 H LYS 51 H LYS 51 -8.778 -3.637 -0.393 387 HA LYS 51 HA LYS 51 -6.547 -4.599 -2.060 388 HB2 LYS 51 2HB LYS 51 -9.288 -3.757 -3.010 389 HB3 LYS 51 1HB LYS 51 -7.934 -4.176 -4.058 390 HG2 LYS 51 2HG LYS 51 -7.909 -6.422 -3.234 391 HG3 LYS 51 1HG LYS 51 -9.120 -6.037 -2.014 392 HD2 LYS 51 2HD LYS 51 -10.724 -5.545 -3.837 393 HD3 LYS 51 1HD LYS 51 -9.507 -6.082 -5.002 394 HE2 LYS 51 2HE LYS 51 -9.443 -8.274 -3.922 395 HE3 LYS 51 1HE LYS 51 -10.658 -7.740 -2.763 396 HZ1 LYS 51 3HZ LYS 51 -11.048 -7.977 -5.694 397 HZ2 LYS 51 1HZ LYS 51 -12.221 -7.460 -4.581 398 HZ3 LYS 51 2HZ LYS 51 -11.632 -9.048 -4.525 399 H ILE 52 H ILE 52 -5.393 -3.120 -3.220 400 HA ILE 52 HA ILE 52 -5.954 -0.269 -2.790 401 HB ILE 52 HB ILE 52 -3.580 0.139 -2.240 402 HG12 ILE 52 2HG1 ILE 52 -3.378 -2.876 -2.036 403 HG13 ILE 52 1HG1 ILE 52 -2.669 -1.902 -3.318 404 HG21 ILE 52 1HG2 ILE 52 -5.235 -0.095 -0.443 405 HG22 ILE 52 2HG2 ILE 52 -3.637 -0.641 0.058 406 HG23 ILE 52 3HG2 ILE 52 -4.883 -1.820 -0.355 407 HD11 ILE 52 3HD1 ILE 52 -0.987 -2.506 -1.709 408 HD12 ILE 52 1HD1 ILE 52 -1.947 -1.817 -0.398 409 HD13 ILE 52 2HD1 ILE 52 -1.270 -0.765 -1.640 410 H ILE 53 H ILE 53 -4.767 1.134 -4.244 411 HA ILE 53 HA ILE 53 -3.173 0.033 -6.347 412 HB ILE 53 HB ILE 53 -5.006 -0.619 -7.574 413 HG12 ILE 53 2HG1 ILE 53 -3.590 1.345 -8.682 414 HG13 ILE 53 1HG1 ILE 53 -4.946 0.593 -9.510 415 HG21 ILE 53 1HG2 ILE 53 -6.729 0.195 -6.086 416 HG22 ILE 53 2HG2 ILE 53 -7.124 0.574 -7.765 417 HG23 ILE 53 3HG2 ILE 53 -6.509 1.836 -6.696 418 HD11 ILE 53 3HD1 ILE 53 -5.047 3.184 -7.975 419 HD12 ILE 53 1HD1 ILE 53 -6.388 2.441 -8.846 420 HD13 ILE 53 2HD1 ILE 53 -4.974 3.021 -9.730 421 H MET 54 H MET 54 -2.156 1.625 -7.638 422 HA MET 54 HA MET 54 -2.232 4.303 -6.400 423 HB2 MET 54 2HB MET 54 -0.128 3.183 -5.934 424 HB3 MET 54 1HB MET 54 0.079 2.781 -7.634 425 HG2 MET 54 2HG MET 54 0.252 5.188 -8.146 426 HG3 MET 54 1HG MET 54 0.134 5.538 -6.422 427 HE1 MET 54 3HE MET 54 2.441 6.939 -6.631 428 HE2 MET 54 1HE MET 54 2.516 6.530 -8.345 429 HE3 MET 54 2HE MET 54 3.917 6.255 -7.310 430 H LYS 55 H LYS 55 -2.817 5.907 -7.692 431 HA LYS 55 HA LYS 55 -2.213 5.773 -10.544 432 HB2 LYS 55 2HB LYS 55 -4.523 4.849 -10.225 433 HB3 LYS 55 1HB LYS 55 -4.997 6.399 -9.543 434 HG2 LYS 55 2HG LYS 55 -5.666 6.232 -11.866 435 HG3 LYS 55 1HG LYS 55 -4.453 7.499 -11.654 436 HD2 LYS 55 2HD LYS 55 -2.715 5.871 -12.383 437 HD3 LYS 55 1HD LYS 55 -4.000 4.708 -12.714 438 HE2 LYS 55 2HE LYS 55 -4.953 6.176 -14.377 439 HE3 LYS 55 1HE LYS 55 -3.777 7.432 -13.989 440 HZ1 LYS 55 3HZ LYS 55 -3.131 6.247 -15.975 441 HZ2 LYS 55 1HZ LYS 55 -3.176 4.763 -15.157 442 HZ3 LYS 55 2HZ LYS 55 -2.011 5.926 -14.743 443 H GLY 56 H GLY 56 -1.525 7.703 -11.283 444 HA2 GLY 56 2HA GLY 56 -0.880 9.903 -11.251 445 HA3 GLY 56 1HA GLY 56 -2.429 10.215 -10.484 446 H ASN 57 H ASN 57 0.187 8.254 -9.187 447 HA ASN 57 HA ASN 57 1.537 8.431 -7.370 448 HB2 ASN 57 2HB ASN 57 0.828 11.374 -7.372 449 HB3 ASN 57 1HB ASN 57 2.103 10.625 -6.417 450 HD21 ASN 57 1HD2 ASN 57 1.081 11.617 -9.560 451 HD22 ASN 57 2HD2 ASN 57 2.628 11.493 -10.334 452 H GLU 58 H GLU 58 -1.709 9.171 -7.350 453 HA GLU 58 HA GLU 58 -1.990 9.317 -4.473 454 HB2 GLU 58 2HB GLU 58 -3.913 9.297 -6.763 455 HB3 GLU 58 1HB GLU 58 -4.470 9.066 -5.109 456 HG2 GLU 58 2HG GLU 58 -2.935 11.446 -6.134 457 HG3 GLU 58 1HG GLU 58 -4.661 11.383 -5.805 458 H ILE 59 H ILE 59 -2.570 7.719 -3.138 459 HA ILE 59 HA ILE 59 -2.800 5.052 -4.303 460 HB ILE 59 HB ILE 59 -1.493 6.077 -1.949 461 HG12 ILE 59 2HG1 ILE 59 -0.549 4.645 -3.740 462 HG13 ILE 59 1HG1 ILE 59 -0.253 4.023 -2.121 463 HG21 ILE 59 1HG2 ILE 59 -2.061 4.292 -0.366 464 HG22 ILE 59 2HG2 ILE 59 -3.336 3.740 -1.453 465 HG23 ILE 59 3HG2 ILE 59 -3.447 5.331 -0.702 466 HD11 ILE 59 3HD1 ILE 59 -2.045 2.406 -2.414 467 HD12 ILE 59 1HD1 ILE 59 -0.832 2.252 -3.683 468 HD13 ILE 59 2HD1 ILE 59 -2.369 3.047 -4.024 469 H PHE 60 H PHE 60 -4.678 4.164 -4.488 470 HA PHE 60 HA PHE 60 -6.995 4.962 -2.925 471 HB2 PHE 60 2HB PHE 60 -7.744 4.384 -5.003 472 HB3 PHE 60 1HB PHE 60 -6.410 3.289 -5.301 473 HD1 PHE 60 1HD PHE 60 -6.523 1.010 -4.064 474 HD2 PHE 60 2HD PHE 60 -9.889 3.524 -4.672 475 HE1 PHE 60 1HE PHE 60 -7.979 -0.933 -3.863 476 HE2 PHE 60 2HE PHE 60 -11.376 1.567 -4.448 477 HZ PHE 60 HZ PHE 60 -10.406 -0.676 -4.051 478 H ARG 61 H ARG 61 -7.203 4.229 -0.935 479 HA ARG 61 HA ARG 61 -6.494 1.420 -0.434 480 HB2 ARG 61 2HB ARG 61 -5.279 3.006 1.055 481 HB3 ARG 61 1HB ARG 61 -6.820 3.662 1.591 482 HG2 ARG 61 2HG ARG 61 -7.178 1.028 2.110 483 HG3 ARG 61 1HG ARG 61 -5.441 1.196 2.373 484 HD2 ARG 61 2HD ARG 61 -7.659 2.732 3.705 485 HD3 ARG 61 1HD ARG 61 -6.548 1.590 4.453 486 HE ARG 61 HE ARG 61 -4.996 3.609 3.358 487 HH11 ARG 61 1HH1 ARG 61 -7.416 3.252 5.864 488 HH12 ARG 61 2HH1 ARG 61 -6.804 4.576 6.817 489 HH21 ARG 61 1HH2 ARG 61 -4.207 5.380 4.590 490 HH22 ARG 61 2HH2 ARG 61 -5.018 5.813 6.070 491 H LEU 62 H LEU 62 -8.267 0.317 -0.678 492 HA LEU 62 HA LEU 62 -10.437 0.070 -1.519 493 HB2 LEU 62 2HB LEU 62 -12.041 -0.134 0.272 494 HB3 LEU 62 1HB LEU 62 -10.488 -0.784 0.751 495 HG LEU 62 HG LEU 62 -10.782 1.998 1.572 496 HD11 LEU 62 1HD1 LEU 62 -13.151 1.400 1.668 497 HD12 LEU 62 2HD1 LEU 62 -12.471 1.611 3.283 498 HD13 LEU 62 3HD1 LEU 62 -12.761 -0.011 2.653 499 HD21 LEU 62 3HD2 LEU 62 -9.075 0.448 2.396 500 HD22 LEU 62 1HD2 LEU 62 -10.335 -0.572 3.094 501 HD23 LEU 62 2HD2 LEU 62 -10.084 1.062 3.706 502 H ASP 63 H ASP 63 -9.465 3.073 -1.357 503 HA ASP 63 HA ASP 63 -10.182 5.195 -1.430 504 HB2 ASP 63 2HB ASP 63 -11.025 4.468 -3.584 505 HB3 ASP 63 1HB ASP 63 -12.513 3.920 -2.844 506 H GLU 64 H GLU 64 -12.024 6.739 -0.843 507 HA GLU 64 HA GLU 64 -13.470 7.628 0.669 508 HB2 GLU 64 2HB GLU 64 -14.925 5.663 0.345 509 HB3 GLU 64 1HB GLU 64 -14.010 4.787 1.562 510 HG2 GLU 64 2HG GLU 64 -16.071 5.599 2.502 511 HG3 GLU 64 1HG GLU 64 -14.705 6.422 3.251 512 H ALA 65 H ALA 65 -11.418 5.047 1.913 513 HA ALA 65 HA ALA 65 -10.961 5.879 4.498 514 HB1 ALA 65 1HB ALA 65 -9.987 3.933 2.956 515 HB2 ALA 65 2HB ALA 65 -9.244 4.405 4.490 516 HB3 ALA 65 3HB ALA 65 -8.586 5.011 2.969 517 H LEU 66 H LEU 66 -9.587 7.070 1.514 518 HA LEU 66 HA LEU 66 -7.947 9.035 2.921 519 HB2 LEU 66 2HB LEU 66 -8.138 8.540 -0.041 520 HB3 LEU 66 1HB LEU 66 -6.875 9.405 0.822 521 HG LEU 66 HG LEU 66 -6.840 6.921 2.010 522 HD11 LEU 66 1HD1 LEU 66 -8.345 6.011 0.345 523 HD12 LEU 66 2HD1 LEU 66 -6.736 5.313 0.172 524 HD13 LEU 66 3HD1 LEU 66 -7.280 6.563 -0.947 525 HD21 LEU 66 3HD2 LEU 66 -5.188 7.946 -0.284 526 HD22 LEU 66 1HD2 LEU 66 -4.734 6.644 0.818 527 HD23 LEU 66 2HD2 LEU 66 -4.934 8.288 1.428 528 H ARG 67 H ARG 67 -10.840 8.686 1.120 529 HA ARG 67 HA ARG 67 -11.234 11.292 0.160 530 HB2 ARG 67 2HB ARG 67 -12.526 9.246 -0.495 531 HB3 ARG 67 1HB ARG 67 -13.344 9.318 1.056 532 HG2 ARG 67 2HG ARG 67 -14.117 11.612 0.398 533 HG3 ARG 67 1HG ARG 67 -13.499 11.269 -1.215 534 HD2 ARG 67 2HD ARG 67 -15.614 9.719 0.269 535 HD3 ARG 67 1HD ARG 67 -15.879 10.795 -1.100 536 HE ARG 67 HE ARG 67 -14.053 8.725 -1.773 537 HH11 ARG 67 1HH1 ARG 67 -17.447 9.382 -1.275 538 HH12 ARG 67 2HH1 ARG 67 -17.984 8.077 -2.282 539 HH21 ARG 67 1HH2 ARG 67 -14.759 6.973 -3.106 540 HH22 ARG 67 2HH2 ARG 67 -16.476 6.722 -3.313 541 H LYS 68 H LYS 68 -12.531 9.716 3.086 542 HA LYS 68 HA LYS 68 -12.405 12.331 4.420 543 HB2 LYS 68 2HB LYS 68 -14.660 10.329 4.628 544 HB3 LYS 68 1HB LYS 68 -14.465 11.719 5.685 545 HG2 LYS 68 2HG LYS 68 -14.612 13.176 3.657 546 HG3 LYS 68 1HG LYS 68 -15.029 11.732 2.730 547 HD2 LYS 68 2HD LYS 68 -16.543 12.795 5.115 548 HD3 LYS 68 1HD LYS 68 -17.024 12.981 3.428 549 HE2 LYS 68 2HE LYS 68 -16.689 10.349 4.864 550 HE3 LYS 68 1HE LYS 68 -18.229 11.156 4.576 551 HZ1 LYS 68 3HZ LYS 68 -16.404 9.899 2.613 552 HZ2 LYS 68 1HZ LYS 68 -17.551 11.064 2.133 553 HZ3 LYS 68 2HZ LYS 68 -18.059 9.625 2.864 554 H GLY 69 H GLY 69 -10.698 11.994 5.737 555 HA2 GLY 69 2HA GLY 69 -10.446 11.291 8.099 556 HA3 GLY 69 1HA GLY 69 -10.948 9.691 7.575 557 H HIS 70 H HIS 70 -8.854 11.458 5.477 558 HA HIS 70 HA HIS 70 -6.730 9.559 6.052 559 HB2 HIS 70 2HB HIS 70 -7.426 10.257 3.694 560 HB3 HIS 70 1HB HIS 70 -6.620 11.788 4.018 561 HD1 HIS 70 1HD HIS 70 -4.847 11.351 2.185 562 HD2 HIS 70 2HD HIS 70 -4.936 8.469 5.186 563 HE1 HIS 70 1HE HIS 70 -2.746 10.001 1.897 564 HE2 HIS 70 2HE HIS 70 -2.716 8.414 3.855 565 H SER 71 H SER 71 -6.483 13.048 5.358 566 HA SER 71 HA SER 71 -5.222 14.698 6.312 567 HB2 SER 71 2HB SER 71 -6.151 13.303 8.836 568 HB3 SER 71 1HB SER 71 -5.571 14.967 8.733 569 HG SER 71 HG SER 71 -7.397 14.960 6.968 570 H GLU 72 H GLU 72 -3.650 12.635 5.455 571 HA GLU 72 HA GLU 72 -2.012 11.565 7.563 572 HB2 GLU 72 2HB GLU 72 -2.734 10.382 5.442 573 HB3 GLU 72 1HB GLU 72 -1.572 11.386 4.590 574 HG2 GLU 72 2HG GLU 72 0.225 10.446 5.957 575 HG3 GLU 72 1HG GLU 72 -0.956 9.416 6.777 576 H GLY 73 H GLY 73 0.164 11.995 7.922 577 HA2 GLY 73 2HA GLY 73 2.197 13.110 7.706 578 HA3 GLY 73 1HA GLY 73 1.525 14.026 6.363 579 H GLY 74 H GLY 74 -0.598 15.267 7.336 580 HA2 GLY 74 2HA GLY 74 -0.860 16.346 9.762 581 HA3 GLY 74 1HA GLY 74 0.573 17.181 9.173 Start of MODEL 10 1 H1 VAL 1 1HT VAL 1 12.288 -2.704 4.875 2 H2 VAL 1 2HT VAL 1 10.950 -3.252 3.984 3 H3 VAL 1 3HT VAL 1 11.060 -3.578 5.649 4 HA VAL 1 HA VAL 1 10.804 -0.886 4.439 5 HB VAL 1 HB VAL 1 8.749 -2.228 4.211 6 HG11 VAL 1 2HG1 VAL 1 8.763 -2.405 7.223 7 HG12 VAL 1 3HG1 VAL 1 9.091 -3.741 6.116 8 HG13 VAL 1 1HG1 VAL 1 7.497 -2.986 6.141 9 HG21 VAL 1 1HG2 VAL 1 8.481 -0.080 6.309 10 HG22 VAL 1 2HG2 VAL 1 7.214 -0.661 5.224 11 HG23 VAL 1 3HG2 VAL 1 8.611 0.194 4.571 12 H ASP 2 H ASP 2 10.904 0.835 5.871 13 HA ASP 2 HA ASP 2 11.931 0.328 8.530 14 HB2 ASP 2 2HB ASP 2 12.217 2.668 8.738 15 HB3 ASP 2 1HB ASP 2 12.559 2.336 7.043 16 H MET 3 H MET 3 10.810 1.585 10.390 17 HA MET 3 HA MET 3 7.903 1.368 10.104 18 HB2 MET 3 2HB MET 3 9.419 0.534 12.571 19 HB3 MET 3 1HB MET 3 7.730 0.284 12.199 20 HG2 MET 3 2HG MET 3 8.654 -1.084 10.185 21 HG3 MET 3 1HG MET 3 10.113 -1.154 11.168 22 HE1 MET 3 3HE MET 3 6.645 -2.523 10.460 23 HE2 MET 3 1HE MET 3 6.208 -1.406 11.755 24 HE3 MET 3 2HE MET 3 6.075 -3.146 12.011 25 H SER 4 H SER 4 9.706 3.640 10.007 26 HA SER 4 HA SER 4 8.994 5.042 12.506 27 HB2 SER 4 2HB SER 4 11.207 5.808 10.596 28 HB3 SER 4 1HB SER 4 10.958 6.372 12.248 29 HG SER 4 HG SER 4 11.490 4.333 13.007 30 H ASN 5 H ASN 5 9.043 5.227 8.992 31 HA ASN 5 HA ASN 5 7.618 7.807 9.168 32 HB2 ASN 5 2HB ASN 5 9.659 8.231 8.112 33 HB3 ASN 5 1HB ASN 5 9.598 6.756 7.161 34 HD21 ASN 5 1HD2 ASN 5 8.215 6.697 5.348 35 HD22 ASN 5 2HD2 ASN 5 7.735 8.173 4.569 36 H VAL 6 H VAL 6 6.989 4.653 8.651 37 HA VAL 6 HA VAL 6 5.194 5.215 6.413 38 HB VAL 6 HB VAL 6 6.833 3.376 6.194 39 HG11 VAL 6 1HG1 VAL 6 6.803 2.498 8.458 40 HG12 VAL 6 2HG1 VAL 6 6.376 1.232 7.304 41 HG13 VAL 6 3HG1 VAL 6 5.118 2.009 8.266 42 HG21 VAL 6 3HG2 VAL 6 4.952 3.432 4.765 43 HG22 VAL 6 1HG2 VAL 6 3.908 2.729 6.006 44 HG23 VAL 6 2HG2 VAL 6 5.189 1.763 5.283 45 H VAL 7 H VAL 7 3.011 5.075 6.571 46 HA VAL 7 HA VAL 7 1.979 4.966 9.289 47 HB VAL 7 HB VAL 7 -0.201 5.691 8.299 48 HG11 VAL 7 1HG1 VAL 7 1.323 7.304 9.252 49 HG12 VAL 7 2HG1 VAL 7 0.541 7.988 7.827 50 HG13 VAL 7 3HG1 VAL 7 2.206 7.413 7.730 51 HG21 VAL 7 3HG2 VAL 7 -0.425 6.356 6.057 52 HG22 VAL 7 1HG2 VAL 7 0.352 4.775 5.977 53 HG23 VAL 7 2HG2 VAL 7 1.314 6.248 5.756 54 H LYS 8 H LYS 8 2.016 2.940 6.485 55 HA LYS 8 HA LYS 8 0.953 0.781 7.974 56 HB2 LYS 8 2HB LYS 8 -1.156 1.965 7.470 57 HB3 LYS 8 1HB LYS 8 -0.834 1.786 5.753 58 HG2 LYS 8 2HG LYS 8 -2.403 0.105 6.436 59 HG3 LYS 8 1HG LYS 8 -0.866 -0.678 6.066 60 HD2 LYS 8 2HD LYS 8 -0.334 -0.682 8.480 61 HD3 LYS 8 1HD LYS 8 -1.920 0.010 8.810 62 HE2 LYS 8 2HE LYS 8 -1.380 -2.663 7.521 63 HE3 LYS 8 1HE LYS 8 -1.906 -2.402 9.181 64 HZ1 LYS 8 3HZ LYS 8 -3.432 -1.968 6.688 65 HZ2 LYS 8 1HZ LYS 8 -3.901 -1.239 8.142 66 HZ3 LYS 8 2HZ LYS 8 -3.839 -2.927 8.021 67 H THR 9 H THR 9 1.766 -0.974 7.287 68 HA THR 9 HA THR 9 2.632 -1.203 4.492 69 HB THR 9 HB THR 9 3.535 -2.561 7.010 70 HG1 THR 9 1HG THR 9 4.956 -1.049 6.724 71 HG21 THR 9 3HG2 THR 9 3.211 -4.357 5.363 72 HG22 THR 9 1HG2 THR 9 4.920 -4.087 5.707 73 HG23 THR 9 2HG2 THR 9 4.213 -3.469 4.215 74 H TYR 10 H TYR 10 1.967 -2.901 3.265 75 HA TYR 10 HA TYR 10 -0.296 -4.460 4.278 76 HB2 TYR 10 2HB TYR 10 -0.023 -2.855 1.782 77 HB3 TYR 10 1HB TYR 10 -1.014 -4.311 1.758 78 HD1 TYR 10 2HD TYR 10 -2.687 -4.468 3.865 79 HD2 TYR 10 1HD TYR 10 -1.044 -0.900 2.253 80 HE1 TYR 10 2HE TYR 10 -4.543 -3.176 4.841 81 HE2 TYR 10 1HE TYR 10 -2.876 0.399 3.204 82 HH TYR 10 HH TYR 10 -4.977 0.246 4.118 83 H ASP 11 H ASP 11 -0.368 -6.465 3.899 84 HA ASP 11 HA ASP 11 1.920 -7.705 2.556 85 HB2 ASP 11 2HB ASP 11 -0.139 -8.750 4.506 86 HB3 ASP 11 1HB ASP 11 0.968 -9.808 3.643 87 H LEU 12 H LEU 12 1.643 -8.387 0.591 88 HA LEU 12 HA LEU 12 -0.898 -8.117 -0.705 89 HB2 LEU 12 2HB LEU 12 1.767 -9.096 -1.705 90 HB3 LEU 12 1HB LEU 12 0.332 -9.033 -2.719 91 HG LEU 12 HG LEU 12 1.992 -6.794 -1.658 92 HD11 LEU 12 1HD1 LEU 12 1.811 -5.995 -3.895 93 HD12 LEU 12 2HD1 LEU 12 0.535 -7.155 -4.265 94 HD13 LEU 12 3HD1 LEU 12 2.177 -7.720 -3.973 95 HD21 LEU 12 3HD2 LEU 12 0.186 -5.196 -2.109 96 HD22 LEU 12 1HD2 LEU 12 -0.224 -6.278 -0.779 97 HD23 LEU 12 2HD2 LEU 12 -0.932 -6.534 -2.374 98 H GLN 13 H GLN 13 0.300 -10.638 1.072 99 HA GLN 13 HA GLN 13 -1.020 -12.474 1.707 100 HB2 GLN 13 2HB GLN 13 -2.752 -11.428 -0.086 101 HB3 GLN 13 1HB GLN 13 -2.240 -12.861 -0.961 102 HG2 GLN 13 2HG GLN 13 -3.585 -12.711 1.709 103 HG3 GLN 13 1HG GLN 13 -4.196 -13.396 0.211 104 HE21 GLN 13 1HE2 GLN 13 -3.429 -15.402 -0.485 105 HE22 GLN 13 2HE2 GLN 13 -2.643 -16.497 0.599 106 H ASP 14 H ASP 14 0.408 -12.070 -1.427 107 HA ASP 14 HA ASP 14 1.229 -14.828 -1.722 108 HB2 ASP 14 2HB ASP 14 0.755 -13.629 -3.761 109 HB3 ASP 14 1HB ASP 14 1.812 -12.302 -3.292 110 H GLY 15 H GLY 15 2.471 -11.752 -0.756 111 HA2 GLY 15 2HA GLY 15 4.190 -12.343 1.139 112 HA3 GLY 15 1HA GLY 15 5.111 -12.849 -0.252 113 H SER 16 H SER 16 3.976 -10.636 -1.891 114 HA SER 16 HA SER 16 6.016 -8.764 -1.476 115 HB2 SER 16 2HB SER 16 3.438 -8.008 -2.799 116 HB3 SER 16 1HB SER 16 5.082 -7.555 -3.236 117 HG SER 16 HG SER 16 5.193 -10.053 -3.556 118 H LYS 17 H LYS 17 5.994 -6.695 -0.580 119 HA LYS 17 HA LYS 17 3.762 -6.198 1.272 120 HB2 LYS 17 2HB LYS 17 6.632 -5.434 1.784 121 HB3 LYS 17 1HB LYS 17 5.297 -5.472 2.931 122 HG2 LYS 17 2HG LYS 17 5.204 -7.967 2.537 123 HG3 LYS 17 1HG LYS 17 6.747 -7.792 1.694 124 HD2 LYS 17 2HD LYS 17 7.736 -6.837 3.710 125 HD3 LYS 17 1HD LYS 17 6.193 -7.020 4.556 126 HE2 LYS 17 2HE LYS 17 6.377 -9.504 3.878 127 HE3 LYS 17 1HE LYS 17 8.076 -9.143 3.586 128 HZ1 LYS 17 3HZ LYS 17 8.172 -8.305 5.914 129 HZ2 LYS 17 1HZ LYS 17 7.861 -9.970 5.781 130 HZ3 LYS 17 2HZ LYS 17 6.597 -8.898 6.144 131 H VAL 18 H VAL 18 2.795 -4.332 1.033 132 HA VAL 18 HA VAL 18 4.111 -2.214 -0.549 133 HB VAL 18 HB VAL 18 1.176 -2.790 -0.035 134 HG11 VAL 18 1HG1 VAL 18 2.410 -0.519 -1.602 135 HG12 VAL 18 2HG1 VAL 18 1.540 -0.379 -0.074 136 HG13 VAL 18 3HG1 VAL 18 0.691 -0.901 -1.528 137 HG21 VAL 18 3HG2 VAL 18 1.071 -3.144 -2.463 138 HG22 VAL 18 1HG2 VAL 18 2.198 -4.257 -1.686 139 HG23 VAL 18 2HG2 VAL 18 2.809 -2.863 -2.574 140 H HIS 19 H HIS 19 4.257 -0.147 0.340 141 HA HIS 19 HA HIS 19 3.033 0.217 2.981 142 HB2 HIS 19 2HB HIS 19 5.689 1.428 2.761 143 HB3 HIS 19 1HB HIS 19 4.940 0.581 4.101 144 HD1 HIS 19 1HD HIS 19 4.925 -2.169 3.722 145 HD2 HIS 19 2HD HIS 19 7.737 0.109 1.739 146 HE1 HIS 19 1HE HIS 19 6.702 -3.794 3.005 147 HE2 HIS 19 2HE HIS 19 8.527 -2.340 2.059 148 H VAL 20 H VAL 20 2.105 2.094 3.249 149 HA VAL 20 HA VAL 20 2.685 4.175 1.254 150 HB VAL 20 HB VAL 20 0.274 3.925 3.070 151 HG11 VAL 20 1HG1 VAL 20 -0.640 5.785 1.732 152 HG12 VAL 20 2HG1 VAL 20 0.896 5.911 0.872 153 HG13 VAL 20 3HG1 VAL 20 0.820 6.260 2.600 154 HG21 VAL 20 3HG2 VAL 20 0.260 2.231 1.337 155 HG22 VAL 20 1HG2 VAL 20 0.606 3.445 0.103 156 HG23 VAL 20 2HG2 VAL 20 -0.941 3.468 0.961 157 H PHE 21 H PHE 21 3.674 5.968 1.929 158 HA PHE 21 HA PHE 21 4.654 5.794 4.682 159 HB2 PHE 21 2HB PHE 21 5.816 7.084 2.215 160 HB3 PHE 21 1HB PHE 21 6.561 7.149 3.806 161 HD1 PHE 21 2HD PHE 21 7.607 5.127 4.789 162 HD2 PHE 21 1HD PHE 21 5.831 5.060 0.913 163 HE1 PHE 21 2HE PHE 21 8.684 2.978 4.322 164 HE2 PHE 21 1HE PHE 21 6.912 2.911 0.451 165 HZ PHE 21 HZ PHE 21 8.457 1.914 2.212 166 H LYS 22 H LYS 22 5.211 7.855 5.772 167 HA LYS 22 HA LYS 22 2.881 9.384 6.092 168 HB2 LYS 22 2HB LYS 22 5.721 9.806 7.054 169 HB3 LYS 22 1HB LYS 22 4.393 10.871 7.512 170 HG2 LYS 22 2HG LYS 22 3.225 8.917 8.482 171 HG3 LYS 22 1HG LYS 22 4.636 7.930 8.100 172 HD2 LYS 22 2HD LYS 22 4.424 10.206 10.049 173 HD3 LYS 22 1HD LYS 22 4.864 8.529 10.358 174 HE2 LYS 22 2HE LYS 22 6.921 8.869 9.023 175 HE3 LYS 22 1HE LYS 22 6.496 10.573 8.859 176 HZ1 LYS 22 3HZ LYS 22 8.065 10.280 10.648 177 HZ2 LYS 22 1HZ LYS 22 7.063 9.140 11.402 178 HZ3 LYS 22 2HZ LYS 22 6.570 10.752 11.289 179 H ASP 23 H ASP 23 5.429 9.737 3.862 180 HA ASP 23 HA ASP 23 5.220 12.604 3.593 181 HB2 ASP 23 2HB ASP 23 6.599 10.820 1.612 182 HB3 ASP 23 1HB ASP 23 6.999 12.469 2.074 183 H GLY 24 H GLY 24 3.536 9.932 2.671 184 HA2 GLY 24 2HA GLY 24 1.592 10.036 1.412 185 HA3 GLY 24 1HA GLY 24 2.254 11.410 0.558 186 H LYS 25 H LYS 25 4.798 9.377 0.478 187 HA LYS 25 HA LYS 25 4.094 8.366 -2.108 188 HB2 LYS 25 2HB LYS 25 6.552 7.730 -0.487 189 HB3 LYS 25 1HB LYS 25 6.331 7.485 -2.210 190 HG2 LYS 25 2HG LYS 25 7.321 9.435 -2.508 191 HG3 LYS 25 1HG LYS 25 5.877 10.193 -1.830 192 HD2 LYS 25 2HD LYS 25 7.921 10.927 -0.676 193 HD3 LYS 25 1HD LYS 25 6.818 10.061 0.395 194 HE2 LYS 25 2HE LYS 25 8.145 8.028 0.135 195 HE3 LYS 25 1HE LYS 25 9.236 8.869 -0.963 196 HZ1 LYS 25 3HZ LYS 25 9.969 10.271 0.805 197 HZ2 LYS 25 1HZ LYS 25 10.071 8.667 1.346 198 HZ3 LYS 25 2HZ LYS 25 8.799 9.658 1.876 199 H MET 26 H MET 26 4.990 5.959 -2.382 200 HA MET 26 HA MET 26 4.419 4.271 -0.140 201 HB2 MET 26 2HB MET 26 2.694 2.971 -1.133 202 HB3 MET 26 1HB MET 26 2.186 4.651 -1.132 203 HG2 MET 26 2HG MET 26 3.216 3.085 -3.464 204 HG3 MET 26 1HG MET 26 1.562 3.555 -3.155 205 HE1 MET 26 3HE MET 26 0.619 6.039 -3.434 206 HE2 MET 26 1HE MET 26 1.671 7.436 -3.656 207 HE3 MET 26 2HE MET 26 1.749 6.504 -2.162 208 H GLY 27 H GLY 27 5.194 2.148 -0.418 209 HA2 GLY 27 2HA GLY 27 7.000 1.843 -2.717 210 HA3 GLY 27 1HA GLY 27 7.641 1.742 -1.089 211 H MET 28 H MET 28 7.730 -0.311 -3.088 212 HA MET 28 HA MET 28 6.043 -2.337 -1.779 213 HB2 MET 28 2HB MET 28 5.265 -1.779 -4.040 214 HB3 MET 28 1HB MET 28 6.848 -2.175 -4.688 215 HG2 MET 28 2HG MET 28 6.561 -4.494 -3.980 216 HG3 MET 28 1HG MET 28 4.966 -4.099 -3.341 217 HE1 MET 28 3HE MET 28 4.166 -6.238 -6.547 218 HE2 MET 28 1HE MET 28 3.891 -6.071 -4.812 219 HE3 MET 28 2HE MET 28 5.502 -6.458 -5.417 220 H GLU 29 H GLU 29 6.945 -4.214 -1.222 221 HA GLU 29 HA GLU 29 9.679 -4.838 -2.125 222 HB2 GLU 29 2HB GLU 29 8.502 -5.047 0.653 223 HB3 GLU 29 1HB GLU 29 9.816 -6.101 0.151 224 HG2 GLU 29 2HG GLU 29 11.289 -4.294 -0.163 225 HG3 GLU 29 1HG GLU 29 9.985 -3.113 -0.045 226 H ASN 30 H ASN 30 10.041 -7.137 -2.429 227 HA ASN 30 HA ASN 30 7.538 -8.568 -2.921 228 HB2 ASN 30 2HB ASN 30 8.931 -10.242 -4.087 229 HB3 ASN 30 1HB ASN 30 9.152 -8.623 -4.737 230 HD21 ASN 30 1HD2 ASN 30 11.120 -9.411 -5.627 231 HD22 ASN 30 2HD2 ASN 30 12.539 -9.548 -4.640 232 H LYS 31 H LYS 31 7.541 -10.985 -2.373 233 HA LYS 31 HA LYS 31 7.726 -11.497 0.289 234 HB2 LYS 31 2HB LYS 31 7.704 -13.891 -0.266 235 HB3 LYS 31 1HB LYS 31 6.538 -12.958 -1.184 236 HG2 LYS 31 2HG LYS 31 8.035 -13.007 -3.118 237 HG3 LYS 31 1HG LYS 31 9.179 -13.977 -2.187 238 HD2 LYS 31 2HD LYS 31 7.508 -15.727 -1.922 239 HD3 LYS 31 1HD LYS 31 6.331 -14.755 -2.805 240 HE2 LYS 31 2HE LYS 31 7.687 -14.876 -4.807 241 HE3 LYS 31 1HE LYS 31 8.948 -15.742 -3.932 242 HZ1 LYS 31 3HZ LYS 31 6.194 -16.733 -4.467 243 HZ2 LYS 31 1HZ LYS 31 7.375 -17.562 -3.573 244 HZ3 LYS 31 2HZ LYS 31 7.619 -17.264 -5.221 245 H PHE 32 H PHE 32 10.454 -11.173 -1.753 246 HA PHE 32 HA PHE 32 12.137 -12.785 0.011 247 HB2 PHE 32 2HB PHE 32 12.815 -11.348 -2.565 248 HB3 PHE 32 1HB PHE 32 13.924 -12.352 -1.638 249 HD1 PHE 32 1HD PHE 32 13.336 -14.796 -1.322 250 HD2 PHE 32 2HD PHE 32 11.412 -12.286 -4.166 251 HE1 PHE 32 1HE PHE 32 12.580 -16.785 -2.557 252 HE2 PHE 32 2HE PHE 32 10.648 -14.269 -5.404 253 HZ PHE 32 HZ PHE 32 11.233 -16.521 -4.601 254 H GLY 33 H GLY 33 10.972 -9.665 -0.102 255 HA2 GLY 33 2HA GLY 33 11.468 -8.022 1.461 256 HA3 GLY 33 1HA GLY 33 12.974 -8.848 1.828 257 H LYS 34 H LYS 34 12.185 -8.250 -1.457 258 HA LYS 34 HA LYS 34 14.386 -6.307 -1.558 259 HB2 LYS 34 2HB LYS 34 13.148 -7.680 -3.932 260 HB3 LYS 34 1HB LYS 34 14.730 -6.913 -3.813 261 HG2 LYS 34 2HG LYS 34 13.969 -9.249 -2.156 262 HG3 LYS 34 1HG LYS 34 14.659 -9.454 -3.766 263 HD2 LYS 34 2HD LYS 34 16.661 -8.261 -3.049 264 HD3 LYS 34 1HD LYS 34 15.945 -7.988 -1.456 265 HE2 LYS 34 2HE LYS 34 15.829 -10.417 -1.111 266 HE3 LYS 34 1HE LYS 34 16.582 -10.669 -2.682 267 HZ1 LYS 34 3HZ LYS 34 17.816 -9.301 -0.351 268 HZ2 LYS 34 1HZ LYS 34 18.548 -9.497 -1.872 269 HZ3 LYS 34 2HZ LYS 34 18.196 -10.855 -0.917 270 H SER 35 H SER 35 14.175 -4.403 -2.237 271 HA SER 35 HA SER 35 11.567 -3.232 -2.273 272 HB2 SER 35 2HB SER 35 12.857 -1.085 -2.514 273 HB3 SER 35 1HB SER 35 13.283 -2.059 -1.108 274 HG SER 35 HG SER 35 15.068 -1.165 -2.439 275 H MET 36 H MET 36 10.357 -2.663 -3.933 276 HA MET 36 HA MET 36 11.592 -2.314 -6.577 277 HB2 MET 36 2HB MET 36 9.077 -3.919 -6.059 278 HB3 MET 36 1HB MET 36 9.759 -3.561 -7.637 279 HG2 MET 36 2HG MET 36 11.747 -4.869 -7.072 280 HG3 MET 36 1HG MET 36 11.050 -5.233 -5.494 281 HE1 MET 36 3HE MET 36 7.860 -7.301 -6.546 282 HE2 MET 36 1HE MET 36 7.952 -5.550 -6.364 283 HE3 MET 36 2HE MET 36 8.753 -6.601 -5.196 284 H ASN 37 H ASN 37 10.152 -1.142 -8.082 285 HA ASN 37 HA ASN 37 8.562 0.849 -6.671 286 HB2 ASN 37 2HB ASN 37 8.435 1.954 -8.943 287 HB3 ASN 37 1HB ASN 37 10.052 1.820 -8.263 288 HD21 ASN 37 1HD2 ASN 37 11.576 0.635 -9.298 289 HD22 ASN 37 2HD2 ASN 37 11.320 -0.129 -10.837 290 H MET 38 H MET 38 6.431 1.447 -7.507 291 HA MET 38 HA MET 38 4.935 -1.010 -8.036 292 HB2 MET 38 2HB MET 38 4.428 0.236 -5.964 293 HB3 MET 38 1HB MET 38 3.987 1.636 -6.931 294 HG2 MET 38 2HG MET 38 2.146 0.404 -7.921 295 HG3 MET 38 1HG MET 38 2.608 -1.038 -7.018 296 HE1 MET 38 3HE MET 38 2.616 -1.087 -4.298 297 HE2 MET 38 1HE MET 38 2.060 0.269 -3.317 298 HE3 MET 38 2HE MET 38 3.527 0.424 -4.285 299 HA PRO 39 HA PRO 39 3.839 0.607 -12.043 300 HB2 PRO 39 2HB PRO 39 2.198 -1.435 -12.745 301 HB3 PRO 39 1HB PRO 39 3.960 -1.545 -12.815 302 HG2 PRO 39 2HG PRO 39 2.076 -2.587 -10.745 303 HG3 PRO 39 1HG PRO 39 3.530 -3.343 -11.418 304 HD2 PRO 39 2HD PRO 39 3.463 -2.086 -8.993 305 HD3 PRO 39 1HD PRO 39 4.923 -2.220 -9.993 306 H GLU 40 H GLU 40 2.456 2.219 -12.169 307 HA GLU 40 HA GLU 40 0.186 2.485 -10.493 308 HB2 GLU 40 2HB GLU 40 1.458 4.416 -11.292 309 HB3 GLU 40 1HB GLU 40 1.001 4.049 -12.949 310 HG2 GLU 40 2HG GLU 40 -1.300 4.540 -12.476 311 HG3 GLU 40 1HG GLU 40 -0.943 4.748 -10.764 312 H GLY 41 H GLY 41 -1.936 2.102 -10.853 313 HA2 GLY 41 2HA GLY 41 -3.814 1.984 -12.355 314 HA3 GLY 41 1HA GLY 41 -2.745 1.302 -13.568 315 H LYS 42 H LYS 42 -1.786 -0.298 -10.935 316 HA LYS 42 HA LYS 42 -3.628 -2.502 -11.551 317 HB2 LYS 42 2HB LYS 42 -0.860 -2.568 -10.363 318 HB3 LYS 42 1HB LYS 42 -1.877 -3.970 -10.644 319 HG2 LYS 42 2HG LYS 42 -0.879 -2.116 -12.782 320 HG3 LYS 42 1HG LYS 42 -0.190 -3.697 -12.386 321 HD2 LYS 42 2HD LYS 42 -3.042 -3.234 -13.205 322 HD3 LYS 42 1HD LYS 42 -1.769 -3.738 -14.317 323 HE2 LYS 42 2HE LYS 42 -2.744 -5.246 -11.892 324 HE3 LYS 42 1HE LYS 42 -3.108 -5.639 -13.571 325 HZ1 LYS 42 3HZ LYS 42 -0.718 -5.995 -13.930 326 HZ2 LYS 42 1HZ LYS 42 -1.361 -7.044 -12.761 327 HZ3 LYS 42 2HZ LYS 42 -0.432 -5.710 -12.283 328 H VAL 43 H VAL 43 -4.964 -3.290 -10.085 329 HA VAL 43 HA VAL 43 -4.730 -2.355 -7.334 330 HB VAL 43 HB VAL 43 -6.933 -2.130 -8.377 331 HG11 VAL 43 1HG1 VAL 43 -6.920 -5.134 -8.578 332 HG12 VAL 43 2HG1 VAL 43 -6.868 -3.995 -9.927 333 HG13 VAL 43 3HG1 VAL 43 -8.299 -4.082 -8.898 334 HG21 VAL 43 3HG2 VAL 43 -6.780 -2.474 -5.955 335 HG22 VAL 43 1HG2 VAL 43 -6.940 -4.213 -6.199 336 HG23 VAL 43 2HG2 VAL 43 -8.273 -3.135 -6.621 337 H MET 44 H MET 44 -4.215 -3.568 -5.672 338 HA MET 44 HA MET 44 -3.711 -6.435 -6.138 339 HB2 MET 44 2HB MET 44 -2.007 -4.472 -4.578 340 HB3 MET 44 1HB MET 44 -1.739 -6.210 -4.642 341 HG2 MET 44 2HG MET 44 -1.227 -6.116 -6.976 342 HG3 MET 44 1HG MET 44 -1.717 -4.425 -7.066 343 HE1 MET 44 3HE MET 44 -0.357 -2.424 -6.065 344 HE2 MET 44 1HE MET 44 1.090 -2.611 -5.072 345 HE3 MET 44 2HE MET 44 -0.473 -3.159 -4.466 346 H GLU 45 H GLU 45 -3.943 -7.773 -4.273 347 HA GLU 45 HA GLU 45 -5.636 -6.557 -2.216 348 HB2 GLU 45 2HB GLU 45 -5.632 -9.206 -3.531 349 HB3 GLU 45 1HB GLU 45 -6.055 -9.172 -1.822 350 HG2 GLU 45 2HG GLU 45 -7.844 -7.662 -2.213 351 HG3 GLU 45 1HG GLU 45 -7.363 -7.439 -3.900 352 H THR 46 H THR 46 -5.571 -7.754 -0.135 353 HA THR 46 HA THR 46 -2.764 -8.153 0.663 354 HB THR 46 HB THR 46 -3.248 -6.876 2.730 355 HG1 THR 46 1HG THR 46 -5.538 -5.894 1.385 356 HG21 THR 46 3HG2 THR 46 -3.720 -5.348 0.167 357 HG22 THR 46 1HG2 THR 46 -2.141 -5.801 0.812 358 HG23 THR 46 2HG2 THR 46 -3.163 -4.664 1.694 359 H ARG 47 H ARG 47 -2.484 -9.142 2.781 360 HA ARG 47 HA ARG 47 -3.868 -11.527 3.132 361 HB2 ARG 47 2HB ARG 47 -2.047 -9.931 4.907 362 HB3 ARG 47 1HB ARG 47 -2.785 -11.421 5.478 363 HG2 ARG 47 2HG ARG 47 -1.735 -12.677 3.725 364 HG3 ARG 47 1HG ARG 47 -1.124 -11.198 2.986 365 HD2 ARG 47 2HD ARG 47 0.653 -12.284 4.182 366 HD3 ARG 47 1HD ARG 47 0.225 -10.782 4.998 367 HE ARG 47 HE ARG 47 -1.090 -13.121 6.056 368 HH11 ARG 47 1HH1 ARG 47 1.769 -11.068 6.198 369 HH12 ARG 47 2HH1 ARG 47 2.208 -11.599 7.795 370 HH21 ARG 47 1HH2 ARG 47 -0.499 -13.782 8.177 371 HH22 ARG 47 2HH2 ARG 47 0.924 -13.116 8.914 372 H ASP 48 H ASP 48 -4.573 -8.319 4.314 373 HA ASP 48 HA ASP 48 -6.318 -9.387 6.406 374 HB2 ASP 48 2HB ASP 48 -6.373 -7.156 7.328 375 HB3 ASP 48 1HB ASP 48 -4.704 -7.616 7.013 376 H GLY 49 H GLY 49 -6.520 -8.334 3.229 377 HA2 GLY 49 2HA GLY 49 -8.564 -8.797 2.068 378 HA3 GLY 49 1HA GLY 49 -9.445 -8.376 3.528 379 H THR 50 H THR 50 -6.897 -6.233 2.735 380 HA THR 50 HA THR 50 -8.833 -4.220 1.926 381 HB THR 50 HB THR 50 -5.897 -4.042 2.657 382 HG1 THR 50 1HG THR 50 -6.895 -4.288 4.555 383 HG21 THR 50 3HG2 THR 50 -7.877 -1.829 2.107 384 HG22 THR 50 1HG2 THR 50 -6.497 -2.264 1.097 385 HG23 THR 50 2HG2 THR 50 -6.237 -1.614 2.717 386 H LYS 51 H LYS 51 -8.800 -3.264 -0.069 387 HA LYS 51 HA LYS 51 -7.011 -4.450 -2.080 388 HB2 LYS 51 2HB LYS 51 -9.645 -3.013 -2.507 389 HB3 LYS 51 1HB LYS 51 -8.678 -3.806 -3.745 390 HG2 LYS 51 2HG LYS 51 -9.104 -5.961 -2.786 391 HG3 LYS 51 1HG LYS 51 -9.916 -5.231 -1.398 392 HD2 LYS 51 2HD LYS 51 -11.622 -4.311 -2.934 393 HD3 LYS 51 1HD LYS 51 -10.830 -5.140 -4.272 394 HE2 LYS 51 2HE LYS 51 -11.966 -6.501 -1.837 395 HE3 LYS 51 1HE LYS 51 -12.802 -6.345 -3.379 396 HZ1 LYS 51 3HZ LYS 51 -10.976 -7.591 -4.420 397 HZ2 LYS 51 1HZ LYS 51 -11.769 -8.495 -3.222 398 HZ3 LYS 51 2HZ LYS 51 -10.259 -7.807 -2.900 399 H ILE 52 H ILE 52 -5.620 -3.157 -3.171 400 HA ILE 52 HA ILE 52 -5.805 -0.252 -2.763 401 HB ILE 52 HB ILE 52 -3.294 -0.254 -2.419 402 HG12 ILE 52 2HG1 ILE 52 -3.802 -3.173 -1.805 403 HG13 ILE 52 1HG1 ILE 52 -2.922 -2.573 -3.206 404 HG21 ILE 52 1HG2 ILE 52 -4.825 0.206 -0.600 405 HG22 ILE 52 2HG2 ILE 52 -3.465 -0.747 -0.016 406 HG23 ILE 52 3HG2 ILE 52 -5.025 -1.518 -0.299 407 HD11 ILE 52 3HD1 ILE 52 -1.389 -3.354 -1.521 408 HD12 ILE 52 1HD1 ILE 52 -2.108 -2.273 -0.326 409 HD13 ILE 52 2HD1 ILE 52 -1.238 -1.607 -1.709 410 H ILE 53 H ILE 53 -4.711 1.029 -4.278 411 HA ILE 53 HA ILE 53 -3.130 -0.123 -6.355 412 HB ILE 53 HB ILE 53 -4.962 -0.736 -7.604 413 HG12 ILE 53 2HG1 ILE 53 -3.476 1.195 -8.698 414 HG13 ILE 53 1HG1 ILE 53 -4.796 0.412 -9.551 415 HG21 ILE 53 1HG2 ILE 53 -6.399 1.758 -6.764 416 HG22 ILE 53 2HG2 ILE 53 -6.695 0.115 -6.190 417 HG23 ILE 53 3HG2 ILE 53 -7.028 0.537 -7.872 418 HD11 ILE 53 3HD1 ILE 53 -4.850 2.814 -9.863 419 HD12 ILE 53 1HD1 ILE 53 -4.934 3.059 -8.117 420 HD13 ILE 53 2HD1 ILE 53 -6.269 2.274 -8.964 421 H MET 54 H MET 54 -2.078 1.442 -7.667 422 HA MET 54 HA MET 54 -1.986 4.094 -6.375 423 HB2 MET 54 2HB MET 54 0.127 2.884 -6.237 424 HB3 MET 54 1HB MET 54 0.094 2.558 -7.962 425 HG2 MET 54 2HG MET 54 0.295 4.975 -8.394 426 HG3 MET 54 1HG MET 54 0.419 5.248 -6.656 427 HE1 MET 54 3HE MET 54 4.076 5.869 -7.965 428 HE2 MET 54 1HE MET 54 2.712 6.561 -7.090 429 HE3 MET 54 2HE MET 54 2.579 6.241 -8.820 430 H LYS 55 H LYS 55 -2.785 5.730 -7.520 431 HA LYS 55 HA LYS 55 -2.506 5.736 -10.425 432 HB2 LYS 55 2HB LYS 55 -4.716 4.711 -9.983 433 HB3 LYS 55 1HB LYS 55 -5.178 6.131 -9.057 434 HG2 LYS 55 2HG LYS 55 -6.140 6.205 -11.272 435 HG3 LYS 55 1HG LYS 55 -4.967 7.507 -11.068 436 HD2 LYS 55 2HD LYS 55 -3.295 6.199 -12.271 437 HD3 LYS 55 1HD LYS 55 -4.454 4.881 -12.467 438 HE2 LYS 55 2HE LYS 55 -4.872 7.681 -13.499 439 HE3 LYS 55 1HE LYS 55 -4.222 6.362 -14.468 440 HZ1 LYS 55 3HZ LYS 55 -6.242 5.206 -14.358 441 HZ2 LYS 55 1HZ LYS 55 -6.678 6.813 -14.679 442 HZ3 LYS 55 2HZ LYS 55 -6.854 6.182 -13.113 443 H GLY 56 H GLY 56 -1.936 7.710 -11.128 444 HA2 GLY 56 2HA GLY 56 -1.384 9.933 -11.082 445 HA3 GLY 56 1HA GLY 56 -2.757 10.165 -10.007 446 H ASN 57 H ASN 57 0.190 8.260 -9.619 447 HA ASN 57 HA ASN 57 1.564 7.952 -7.852 448 HB2 ASN 57 2HB ASN 57 2.860 9.848 -7.111 449 HB3 ASN 57 1HB ASN 57 2.584 9.971 -8.840 450 HD21 ASN 57 1HD2 ASN 57 1.516 11.172 -5.708 451 HD22 ASN 57 2HD2 ASN 57 0.990 12.720 -6.278 452 H GLU 58 H GLU 58 -1.306 8.254 -7.266 453 HA GLU 58 HA GLU 58 -1.133 8.878 -4.394 454 HB2 GLU 58 2HB GLU 58 -3.392 9.199 -6.332 455 HB3 GLU 58 1HB GLU 58 -3.660 9.127 -4.595 456 HG2 GLU 58 2HG GLU 58 -1.905 11.126 -6.008 457 HG3 GLU 58 1HG GLU 58 -3.530 11.422 -5.411 458 H ILE 59 H ILE 59 -2.253 7.521 -2.966 459 HA ILE 59 HA ILE 59 -2.510 4.817 -4.011 460 HB ILE 59 HB ILE 59 -1.516 5.926 -1.528 461 HG12 ILE 59 2HG1 ILE 59 -0.251 4.490 -3.057 462 HG13 ILE 59 1HG1 ILE 59 -0.336 3.792 -1.446 463 HG21 ILE 59 1HG2 ILE 59 -2.333 4.160 -0.029 464 HG22 ILE 59 2HG2 ILE 59 -3.439 3.616 -1.289 465 HG23 ILE 59 3HG2 ILE 59 -3.630 5.219 -0.580 466 HD11 ILE 59 3HD1 ILE 59 -1.980 2.971 -3.830 467 HD12 ILE 59 1HD1 ILE 59 -2.107 2.278 -2.212 468 HD13 ILE 59 2HD1 ILE 59 -0.618 2.087 -3.139 469 H PHE 60 H PHE 60 -4.414 4.113 -4.499 470 HA PHE 60 HA PHE 60 -6.809 4.869 -3.077 471 HB2 PHE 60 2HB PHE 60 -7.315 4.297 -5.256 472 HB3 PHE 60 1HB PHE 60 -6.029 3.114 -5.360 473 HD1 PHE 60 1HD PHE 60 -6.483 0.907 -3.906 474 HD2 PHE 60 2HD PHE 60 -9.474 3.575 -5.304 475 HE1 PHE 60 1HE PHE 60 -8.198 -0.840 -3.602 476 HE2 PHE 60 2HE PHE 60 -11.177 1.857 -5.013 477 HZ PHE 60 HZ PHE 60 -10.383 -0.559 -4.526 478 H ARG 61 H ARG 61 -6.923 4.256 -1.044 479 HA ARG 61 HA ARG 61 -6.386 1.424 -0.463 480 HB2 ARG 61 2HB ARG 61 -5.051 3.166 0.906 481 HB3 ARG 61 1HB ARG 61 -6.590 3.611 1.632 482 HG2 ARG 61 2HG ARG 61 -6.708 1.000 2.068 483 HG3 ARG 61 1HG ARG 61 -4.954 1.166 1.989 484 HD2 ARG 61 2HD ARG 61 -6.836 2.627 3.836 485 HD3 ARG 61 1HD ARG 61 -5.696 1.363 4.279 486 HE ARG 61 HE ARG 61 -4.607 3.814 3.108 487 HH11 ARG 61 1HH1 ARG 61 -5.129 1.805 5.927 488 HH12 ARG 61 2HH1 ARG 61 -4.058 2.715 6.952 489 HH21 ARG 61 1HH2 ARG 61 -3.187 5.036 4.459 490 HH22 ARG 61 2HH2 ARG 61 -2.979 4.567 6.122 491 H LEU 62 H LEU 62 -8.255 0.427 -0.538 492 HA LEU 62 HA LEU 62 -10.556 0.090 -0.779 493 HB2 LEU 62 2HB LEU 62 -10.282 1.931 1.517 494 HB3 LEU 62 1HB LEU 62 -11.871 1.832 0.796 495 HG LEU 62 HG LEU 62 -11.595 0.386 2.736 496 HD11 LEU 62 1HD1 LEU 62 -12.536 -1.636 1.688 497 HD12 LEU 62 2HD1 LEU 62 -11.992 -1.058 0.112 498 HD13 LEU 62 3HD1 LEU 62 -13.221 -0.162 1.002 499 HD21 LEU 62 3HD2 LEU 62 -9.581 -1.067 1.024 500 HD22 LEU 62 1HD2 LEU 62 -10.226 -1.649 2.557 501 HD23 LEU 62 2HD2 LEU 62 -9.247 -0.183 2.513 502 H ASP 63 H ASP 63 -9.428 3.368 -0.911 503 HA ASP 63 HA ASP 63 -9.934 5.183 -2.163 504 HB2 ASP 63 2HB ASP 63 -10.625 3.828 -4.051 505 HB3 ASP 63 1HB ASP 63 -12.174 3.520 -3.289 506 H GLU 64 H GLU 64 -12.616 3.451 -0.793 507 HA GLU 64 HA GLU 64 -14.099 5.750 0.005 508 HB2 GLU 64 2HB GLU 64 -15.047 3.456 -0.378 509 HB3 GLU 64 1HB GLU 64 -14.261 2.942 1.106 510 HG2 GLU 64 2HG GLU 64 -15.558 4.767 2.269 511 HG3 GLU 64 1HG GLU 64 -16.491 4.919 0.781 512 H ALA 65 H ALA 65 -11.597 3.782 1.455 513 HA ALA 65 HA ALA 65 -11.969 4.318 4.160 514 HB1 ALA 65 1HB ALA 65 -10.368 2.656 3.129 515 HB2 ALA 65 2HB ALA 65 -9.747 3.567 4.515 516 HB3 ALA 65 3HB ALA 65 -9.258 4.014 2.881 517 H LEU 66 H LEU 66 -10.208 6.138 1.725 518 HA LEU 66 HA LEU 66 -9.034 8.044 3.414 519 HB2 LEU 66 2HB LEU 66 -9.805 8.141 0.507 520 HB3 LEU 66 1HB LEU 66 -8.961 9.451 1.307 521 HG LEU 66 HG LEU 66 -7.381 8.128 0.091 522 HD11 LEU 66 1HD1 LEU 66 -5.847 7.462 1.884 523 HD12 LEU 66 2HD1 LEU 66 -7.169 7.605 3.042 524 HD13 LEU 66 3HD1 LEU 66 -6.592 9.032 2.182 525 HD21 LEU 66 3HD2 LEU 66 -8.580 6.047 -0.081 526 HD22 LEU 66 1HD2 LEU 66 -8.388 5.765 1.648 527 HD23 LEU 66 2HD2 LEU 66 -6.975 5.766 0.592 528 H ARG 67 H ARG 67 -12.279 7.831 2.121 529 HA ARG 67 HA ARG 67 -12.788 10.655 2.499 530 HB2 ARG 67 2HB ARG 67 -15.109 8.900 2.151 531 HB3 ARG 67 1HB ARG 67 -14.700 10.386 1.326 532 HG2 ARG 67 2HG ARG 67 -13.749 7.611 0.736 533 HG3 ARG 67 1HG ARG 67 -14.773 8.650 -0.250 534 HD2 ARG 67 2HD ARG 67 -11.896 9.181 0.420 535 HD3 ARG 67 1HD ARG 67 -12.485 8.562 -1.119 536 HE ARG 67 HE ARG 67 -13.715 10.753 -1.285 537 HH11 ARG 67 1HH1 ARG 67 -10.788 10.411 0.596 538 HH12 ARG 67 2HH1 ARG 67 -10.302 12.067 0.400 539 HH21 ARG 67 1HH2 ARG 67 -13.050 12.942 -1.589 540 HH22 ARG 67 2HH2 ARG 67 -11.579 13.490 -0.840 541 H LYS 68 H LYS 68 -13.562 7.593 3.955 542 HA LYS 68 HA LYS 68 -15.461 8.621 5.813 543 HB2 LYS 68 2HB LYS 68 -14.036 5.957 5.739 544 HB3 LYS 68 1HB LYS 68 -15.465 6.338 6.695 545 HG2 LYS 68 2HG LYS 68 -15.320 6.392 3.678 546 HG3 LYS 68 1HG LYS 68 -16.012 5.081 4.653 547 HD2 LYS 68 2HD LYS 68 -17.596 6.760 5.633 548 HD3 LYS 68 1HD LYS 68 -16.978 7.934 4.470 549 HE2 LYS 68 2HE LYS 68 -18.998 7.001 3.592 550 HE3 LYS 68 1HE LYS 68 -17.649 6.385 2.643 551 HZ1 LYS 68 3HZ LYS 68 -18.906 4.890 4.880 552 HZ2 LYS 68 1HZ LYS 68 -17.771 4.302 3.762 553 HZ3 LYS 68 2HZ LYS 68 -19.340 4.693 3.251 554 H GLY 69 H GLY 69 -14.980 9.746 7.549 555 HA2 GLY 69 2HA GLY 69 -12.342 9.989 8.578 556 HA3 GLY 69 1HA GLY 69 -13.804 10.617 9.322 557 H HIS 70 H HIS 70 -11.608 7.925 9.126 558 HA HIS 70 HA HIS 70 -13.032 6.287 10.987 559 HB2 HIS 70 2HB HIS 70 -10.242 6.138 9.860 560 HB3 HIS 70 1HB HIS 70 -10.811 5.017 11.090 561 HD1 HIS 70 1HD HIS 70 -12.655 3.311 10.385 562 HD2 HIS 70 2HD HIS 70 -11.238 5.698 7.287 563 HE1 HIS 70 1HE HIS 70 -13.483 2.239 8.274 564 HE2 HIS 70 2HE HIS 70 -12.482 3.596 6.410 565 H SER 71 H SER 71 -13.411 7.859 12.547 566 HA SER 71 HA SER 71 -11.669 7.638 14.781 567 HB2 SER 71 2HB SER 71 -10.582 9.554 13.632 568 HB3 SER 71 1HB SER 71 -12.124 10.404 13.612 569 HG SER 71 HG SER 71 -11.675 9.672 16.120 570 H GLU 72 H GLU 72 -14.145 9.783 13.476 571 HA GLU 72 HA GLU 72 -15.898 9.455 15.730 572 HB2 GLU 72 2HB GLU 72 -16.457 10.595 12.978 573 HB3 GLU 72 1HB GLU 72 -17.474 10.784 14.401 574 HG2 GLU 72 2HG GLU 72 -15.826 12.116 15.493 575 HG3 GLU 72 1HG GLU 72 -14.647 11.787 14.224 576 H GLY 73 H GLY 73 -15.884 8.452 12.330 577 HA2 GLY 73 2HA GLY 73 -17.692 6.235 13.023 578 HA3 GLY 73 1HA GLY 73 -17.442 6.872 11.400 579 H GLY 74 H GLY 74 -15.491 5.548 14.055 580 HA2 GLY 74 2HA GLY 74 -14.029 3.953 12.046 581 HA3 GLY 74 1HA GLY 74 -13.234 4.714 13.417 Start of MODEL 11 1 H1 VAL 1 1HT VAL 1 11.641 -3.367 4.022 2 H2 VAL 1 2HT VAL 1 11.057 -3.337 5.616 3 H3 VAL 1 3HT VAL 1 12.725 -3.247 5.328 4 HA VAL 1 HA VAL 1 12.496 -1.111 4.298 5 HB VAL 1 HB VAL 1 10.143 -1.643 3.450 6 HG11 VAL 1 2HG1 VAL 1 8.270 -0.914 4.839 7 HG12 VAL 1 3HG1 VAL 1 9.374 -0.633 6.187 8 HG13 VAL 1 1HG1 VAL 1 9.129 -2.270 5.570 9 HG21 VAL 1 1HG2 VAL 1 9.451 0.706 3.434 10 HG22 VAL 1 2HG2 VAL 1 11.171 0.520 3.092 11 HG23 VAL 1 3HG2 VAL 1 10.643 1.056 4.686 12 H ASP 2 H ASP 2 12.673 0.772 5.603 13 HA ASP 2 HA ASP 2 12.470 0.348 8.455 14 HB2 ASP 2 2HB ASP 2 13.410 2.621 6.729 15 HB3 ASP 2 1HB ASP 2 13.097 2.880 8.443 16 H MET 3 H MET 3 10.623 0.498 9.468 17 HA MET 3 HA MET 3 8.342 1.631 8.077 18 HB2 MET 3 2HB MET 3 8.440 0.171 10.717 19 HB3 MET 3 1HB MET 3 7.021 0.484 9.735 20 HG2 MET 3 2HG MET 3 8.164 -0.877 7.915 21 HG3 MET 3 1HG MET 3 9.296 -1.378 9.167 22 HE1 MET 3 3HE MET 3 5.614 -1.425 7.917 23 HE2 MET 3 1HE MET 3 5.463 -0.647 9.493 24 HE3 MET 3 2HE MET 3 4.778 -2.253 9.233 25 H SER 4 H SER 4 10.479 3.254 9.503 26 HA SER 4 HA SER 4 9.164 4.474 11.744 27 HB2 SER 4 2HB SER 4 11.609 5.454 10.253 28 HB3 SER 4 1HB SER 4 11.142 5.825 11.916 29 HG SER 4 HG SER 4 11.749 3.856 12.563 30 H ASN 5 H ASN 5 9.466 5.034 8.344 31 HA ASN 5 HA ASN 5 8.136 7.635 8.619 32 HB2 ASN 5 2HB ASN 5 8.834 7.952 6.205 33 HB3 ASN 5 1HB ASN 5 10.142 7.928 7.377 34 HD21 ASN 5 1HD2 ASN 5 8.495 5.006 6.376 35 HD22 ASN 5 2HD2 ASN 5 9.822 4.346 5.483 36 H VAL 6 H VAL 6 7.243 4.669 8.422 37 HA VAL 6 HA VAL 6 5.371 4.961 6.189 38 HB VAL 6 HB VAL 6 6.155 2.529 7.795 39 HG11 VAL 6 1HG1 VAL 6 4.874 1.259 6.151 40 HG12 VAL 6 2HG1 VAL 6 4.376 2.766 5.379 41 HG13 VAL 6 3HG1 VAL 6 3.844 2.397 7.020 42 HG21 VAL 6 3HG2 VAL 6 7.928 3.293 6.315 43 HG22 VAL 6 1HG2 VAL 6 6.798 3.320 4.960 44 HG23 VAL 6 2HG2 VAL 6 7.225 1.788 5.723 45 H VAL 7 H VAL 7 3.271 5.364 6.544 46 HA VAL 7 HA VAL 7 2.319 5.455 9.293 47 HB VAL 7 HB VAL 7 0.227 6.406 8.361 48 HG11 VAL 7 1HG1 VAL 7 1.210 8.551 7.654 49 HG12 VAL 7 2HG1 VAL 7 2.782 7.762 7.520 50 HG13 VAL 7 3HG1 VAL 7 1.988 7.883 9.090 51 HG21 VAL 7 3HG2 VAL 7 1.670 6.377 5.713 52 HG22 VAL 7 1HG2 VAL 7 0.066 7.041 6.041 53 HG23 VAL 7 2HG2 VAL 7 0.333 5.301 6.144 54 H LYS 8 H LYS 8 2.075 3.408 6.541 55 HA LYS 8 HA LYS 8 0.878 1.350 8.088 56 HB2 LYS 8 2HB LYS 8 -1.131 2.715 7.549 57 HB3 LYS 8 1HB LYS 8 -0.809 2.465 5.838 58 HG2 LYS 8 2HG LYS 8 -2.524 0.947 6.548 59 HG3 LYS 8 1HG LYS 8 -1.059 0.027 6.197 60 HD2 LYS 8 2HD LYS 8 -0.573 -0.251 8.498 61 HD3 LYS 8 1HD LYS 8 -1.795 0.929 8.971 62 HE2 LYS 8 2HE LYS 8 -2.345 -1.724 7.645 63 HE3 LYS 8 1HE LYS 8 -2.515 -1.396 9.368 64 HZ1 LYS 8 3HZ LYS 8 -4.129 -0.321 7.130 65 HZ2 LYS 8 1HZ LYS 8 -4.116 0.418 8.659 66 HZ3 LYS 8 2HZ LYS 8 -4.651 -1.185 8.495 67 H THR 9 H THR 9 1.282 -0.588 7.251 68 HA THR 9 HA THR 9 2.322 -0.706 4.512 69 HB THR 9 HB THR 9 3.382 -1.967 7.010 70 HG1 THR 9 1HG THR 9 4.239 0.009 6.158 71 HG21 THR 9 3HG2 THR 9 3.073 -3.829 5.438 72 HG22 THR 9 1HG2 THR 9 4.781 -3.467 5.693 73 HG23 THR 9 2HG2 THR 9 3.975 -2.932 4.218 74 H TYR 10 H TYR 10 1.759 -2.477 3.298 75 HA TYR 10 HA TYR 10 -0.377 -4.142 4.401 76 HB2 TYR 10 2HB TYR 10 -0.331 -2.638 1.810 77 HB3 TYR 10 1HB TYR 10 -1.363 -4.058 2.042 78 HD1 TYR 10 2HD TYR 10 -2.694 -4.079 4.269 79 HD2 TYR 10 1HD TYR 10 -1.199 -0.574 2.405 80 HE1 TYR 10 2HE TYR 10 -4.283 -2.751 5.552 81 HE2 TYR 10 1HE TYR 10 -2.794 0.797 3.699 82 HH TYR 10 HH TYR 10 -4.962 0.495 4.874 83 H ASP 11 H ASP 11 -0.324 -6.096 4.138 84 HA ASP 11 HA ASP 11 2.012 -7.199 2.766 85 HB2 ASP 11 2HB ASP 11 0.214 -8.384 4.896 86 HB3 ASP 11 1HB ASP 11 1.495 -9.279 4.083 87 H LEU 12 H LEU 12 1.804 -8.254 1.013 88 HA LEU 12 HA LEU 12 -0.824 -8.702 -0.144 89 HB2 LEU 12 2HB LEU 12 1.905 -9.364 -1.274 90 HB3 LEU 12 1HB LEU 12 0.383 -9.448 -2.144 91 HG LEU 12 HG LEU 12 1.901 -7.008 -1.265 92 HD11 LEU 12 1HD1 LEU 12 2.403 -7.995 -3.457 93 HD12 LEU 12 2HD1 LEU 12 1.676 -6.397 -3.602 94 HD13 LEU 12 3HD1 LEU 12 0.706 -7.837 -3.906 95 HD21 LEU 12 3HD2 LEU 12 -0.968 -7.083 -2.194 96 HD22 LEU 12 1HD2 LEU 12 -0.001 -5.634 -1.913 97 HD23 LEU 12 2HD2 LEU 12 -0.426 -6.688 -0.564 98 H GLN 13 H GLN 13 -1.600 -10.785 -0.736 99 HA GLN 13 HA GLN 13 -1.206 -12.675 1.293 100 HB2 GLN 13 2HB GLN 13 -2.495 -13.199 -1.383 101 HB3 GLN 13 1HB GLN 13 -2.804 -14.025 0.139 102 HG2 GLN 13 2HG GLN 13 -3.637 -11.852 1.055 103 HG3 GLN 13 1HG GLN 13 -3.501 -11.192 -0.575 104 HE21 GLN 13 1HE2 GLN 13 -5.856 -11.493 1.062 105 HE22 GLN 13 2HE2 GLN 13 -6.957 -12.489 0.170 106 H ASP 14 H ASP 14 0.791 -12.062 -1.304 107 HA ASP 14 HA ASP 14 1.664 -14.840 -1.611 108 HB2 ASP 14 2HB ASP 14 2.698 -14.220 -3.590 109 HB3 ASP 14 1HB ASP 14 1.343 -13.097 -3.558 110 H GLY 15 H GLY 15 2.546 -11.812 -0.187 111 HA2 GLY 15 2HA GLY 15 4.111 -12.307 1.780 112 HA3 GLY 15 1HA GLY 15 5.193 -12.877 0.525 113 H SER 16 H SER 16 4.018 -10.596 -1.203 114 HA SER 16 HA SER 16 6.201 -8.850 -0.706 115 HB2 SER 16 2HB SER 16 3.794 -8.239 -2.414 116 HB3 SER 16 1HB SER 16 5.424 -7.601 -2.580 117 HG SER 16 HG SER 16 4.429 -10.158 -3.224 118 H LYS 17 H LYS 17 6.063 -6.566 -0.227 119 HA LYS 17 HA LYS 17 3.863 -5.960 1.641 120 HB2 LYS 17 2HB LYS 17 6.787 -5.254 1.964 121 HB3 LYS 17 1HB LYS 17 5.497 -4.908 3.111 122 HG2 LYS 17 2HG LYS 17 5.156 -7.384 3.319 123 HG3 LYS 17 1HG LYS 17 6.622 -7.591 2.350 124 HD2 LYS 17 2HD LYS 17 7.939 -6.457 3.999 125 HD3 LYS 17 1HD LYS 17 6.500 -6.020 4.922 126 HE2 LYS 17 2HE LYS 17 7.581 -7.881 5.993 127 HE3 LYS 17 1HE LYS 17 6.056 -8.425 5.294 128 HZ1 LYS 17 3HZ LYS 17 7.325 -9.286 3.394 129 HZ2 LYS 17 1HZ LYS 17 7.782 -10.019 4.850 130 HZ3 LYS 17 2HZ LYS 17 8.768 -8.833 4.156 131 H VAL 18 H VAL 18 2.832 -4.103 1.227 132 HA VAL 18 HA VAL 18 4.195 -2.056 -0.416 133 HB VAL 18 HB VAL 18 1.242 -2.534 0.113 134 HG11 VAL 18 1HG1 VAL 18 0.857 -0.728 -1.537 135 HG12 VAL 18 2HG1 VAL 18 2.587 -0.384 -1.530 136 HG13 VAL 18 3HG1 VAL 18 1.633 -0.154 -0.061 137 HG21 VAL 18 3HG2 VAL 18 2.224 -4.131 -1.442 138 HG22 VAL 18 1HG2 VAL 18 2.873 -2.810 -2.413 139 HG23 VAL 18 2HG2 VAL 18 1.128 -3.037 -2.285 140 H HIS 19 H HIS 19 4.322 0.067 0.402 141 HA HIS 19 HA HIS 19 3.222 0.417 3.112 142 HB2 HIS 19 2HB HIS 19 5.804 1.739 2.431 143 HB3 HIS 19 1HB HIS 19 5.190 1.230 3.999 144 HD1 HIS 19 1HD HIS 19 5.057 -1.604 4.095 145 HD2 HIS 19 2HD HIS 19 7.823 0.252 1.662 146 HE1 HIS 19 1HE HIS 19 6.751 -3.378 3.557 147 HE2 HIS 19 2HE HIS 19 8.538 -2.183 2.253 148 H VAL 20 H VAL 20 2.075 2.157 3.360 149 HA VAL 20 HA VAL 20 2.302 4.303 1.385 150 HB VAL 20 HB VAL 20 0.303 4.033 3.649 151 HG11 VAL 20 1HG1 VAL 20 0.676 6.340 2.865 152 HG12 VAL 20 2HG1 VAL 20 -0.942 5.767 2.466 153 HG13 VAL 20 3HG1 VAL 20 0.300 5.834 1.218 154 HG21 VAL 20 3HG2 VAL 20 0.087 2.209 1.997 155 HG22 VAL 20 1HG2 VAL 20 -0.073 3.413 0.716 156 HG23 VAL 20 2HG2 VAL 20 -1.298 3.303 1.981 157 H PHE 21 H PHE 21 3.599 5.911 1.842 158 HA PHE 21 HA PHE 21 4.909 5.881 4.422 159 HB2 PHE 21 2HB PHE 21 5.489 7.234 1.803 160 HB3 PHE 21 1HB PHE 21 6.402 7.604 3.260 161 HD1 PHE 21 1HD PHE 21 5.609 5.019 0.782 162 HD2 PHE 21 2HD PHE 21 8.048 6.045 4.124 163 HE1 PHE 21 1HE PHE 21 7.049 3.072 0.339 164 HE2 PHE 21 2HE PHE 21 9.477 4.106 3.674 165 HZ PHE 21 HZ PHE 21 9.051 2.662 1.813 166 H LYS 22 H LYS 22 5.323 7.757 5.621 167 HA LYS 22 HA LYS 22 3.054 9.176 6.363 168 HB2 LYS 22 2HB LYS 22 4.648 10.543 7.701 169 HB3 LYS 22 1HB LYS 22 4.916 8.807 7.857 170 HG2 LYS 22 2HG LYS 22 6.760 8.880 6.372 171 HG3 LYS 22 1HG LYS 22 6.462 10.583 6.002 172 HD2 LYS 22 2HD LYS 22 7.150 9.527 8.746 173 HD3 LYS 22 1HD LYS 22 8.323 10.215 7.622 174 HE2 LYS 22 2HE LYS 22 5.884 11.687 8.601 175 HE3 LYS 22 1HE LYS 22 7.467 11.798 9.373 176 HZ1 LYS 22 3HZ LYS 22 8.392 12.742 7.423 177 HZ2 LYS 22 1HZ LYS 22 6.970 13.599 7.752 178 HZ3 LYS 22 2HZ LYS 22 6.994 12.445 6.509 179 H ASP 23 H ASP 23 5.284 9.860 3.829 180 HA ASP 23 HA ASP 23 4.599 12.683 3.770 181 HB2 ASP 23 2HB ASP 23 6.574 11.119 2.099 182 HB3 ASP 23 1HB ASP 23 6.323 12.857 2.012 183 H GLY 24 H GLY 24 3.263 9.946 2.836 184 HA2 GLY 24 2HA GLY 24 1.292 9.951 1.611 185 HA3 GLY 24 1HA GLY 24 1.907 11.289 0.672 186 H LYS 25 H LYS 25 4.504 9.368 0.555 187 HA LYS 25 HA LYS 25 3.753 8.394 -2.036 188 HB2 LYS 25 2HB LYS 25 6.336 8.119 -0.504 189 HB3 LYS 25 1HB LYS 25 6.095 7.651 -2.179 190 HG2 LYS 25 2HG LYS 25 6.959 9.679 -2.565 191 HG3 LYS 25 1HG LYS 25 5.294 10.196 -2.320 192 HD2 LYS 25 2HD LYS 25 6.776 11.619 -1.050 193 HD3 LYS 25 1HD LYS 25 5.807 10.640 0.052 194 HE2 LYS 25 2HE LYS 25 8.155 10.771 0.768 195 HE3 LYS 25 1HE LYS 25 7.679 9.120 0.380 196 HZ1 LYS 25 3HZ LYS 25 8.850 9.197 -1.642 197 HZ2 LYS 25 1HZ LYS 25 9.902 9.862 -0.491 198 HZ3 LYS 25 2HZ LYS 25 9.065 10.879 -1.563 199 H MET 26 H MET 26 4.828 6.100 -2.513 200 HA MET 26 HA MET 26 4.146 4.207 -0.405 201 HB2 MET 26 2HB MET 26 3.099 4.002 -3.239 202 HB3 MET 26 1HB MET 26 2.967 2.750 -2.017 203 HG2 MET 26 2HG MET 26 0.883 3.740 -2.007 204 HG3 MET 26 1HG MET 26 1.697 4.494 -0.639 205 HE1 MET 26 3HE MET 26 2.578 5.351 -4.338 206 HE2 MET 26 1HE MET 26 1.370 6.574 -4.736 207 HE3 MET 26 2HE MET 26 0.875 4.902 -4.458 208 H GLY 27 H GLY 27 5.303 2.354 -0.445 209 HA2 GLY 27 2HA GLY 27 7.200 1.955 -2.660 210 HA3 GLY 27 1HA GLY 27 7.786 1.991 -0.999 211 H MET 28 H MET 28 7.803 -0.194 -3.000 212 HA MET 28 HA MET 28 6.149 -2.122 -1.516 213 HB2 MET 28 2HB MET 28 5.234 -1.664 -3.753 214 HB3 MET 28 1HB MET 28 6.771 -2.112 -4.476 215 HG2 MET 28 2HG MET 28 6.505 -4.390 -3.706 216 HG3 MET 28 1HG MET 28 5.000 -3.957 -2.892 217 HE1 MET 28 3HE MET 28 3.946 -6.078 -4.213 218 HE2 MET 28 1HE MET 28 5.451 -6.339 -5.096 219 HE3 MET 28 2HE MET 28 3.928 -6.204 -5.974 220 H GLU 29 H GLU 29 7.012 -4.063 -1.022 221 HA GLU 29 HA GLU 29 9.729 -4.687 -1.978 222 HB2 GLU 29 2HB GLU 29 8.576 -4.918 0.800 223 HB3 GLU 29 1HB GLU 29 9.874 -5.982 0.278 224 HG2 GLU 29 2HG GLU 29 11.381 -4.217 0.038 225 HG3 GLU 29 1HG GLU 29 10.102 -3.002 0.094 226 H ASN 30 H ASN 30 10.048 -6.938 -2.422 227 HA ASN 30 HA ASN 30 7.551 -8.350 -2.894 228 HB2 ASN 30 2HB ASN 30 8.976 -10.049 -4.010 229 HB3 ASN 30 1HB ASN 30 9.206 -8.431 -4.665 230 HD21 ASN 30 1HD2 ASN 30 11.217 -9.049 -5.487 231 HD22 ASN 30 2HD2 ASN 30 12.595 -9.207 -4.449 232 H LYS 31 H LYS 31 7.424 -10.696 -2.291 233 HA LYS 31 HA LYS 31 7.708 -11.249 0.385 234 HB2 LYS 31 2HB LYS 31 7.491 -13.659 -0.308 235 HB3 LYS 31 1HB LYS 31 6.242 -12.568 -0.887 236 HG2 LYS 31 2HG LYS 31 7.372 -12.453 -3.063 237 HG3 LYS 31 1HG LYS 31 8.587 -13.593 -2.473 238 HD2 LYS 31 2HD LYS 31 6.969 -15.320 -2.232 239 HD3 LYS 31 1HD LYS 31 5.635 -14.197 -2.512 240 HE2 LYS 31 2HE LYS 31 7.759 -14.912 -4.526 241 HE3 LYS 31 1HE LYS 31 6.143 -15.619 -4.469 242 HZ1 LYS 31 3HZ LYS 31 6.017 -13.919 -6.054 243 HZ2 LYS 31 1HZ LYS 31 6.900 -12.832 -5.101 244 HZ3 LYS 31 2HZ LYS 31 5.321 -13.238 -4.660 245 H PHE 32 H PHE 32 10.334 -10.775 -1.535 246 HA PHE 32 HA PHE 32 11.982 -12.676 -0.021 247 HB2 PHE 32 2HB PHE 32 12.638 -11.165 -2.563 248 HB3 PHE 32 1HB PHE 32 13.744 -12.236 -1.709 249 HD1 PHE 32 1HD PHE 32 13.339 -14.656 -1.671 250 HD2 PHE 32 2HD PHE 32 10.897 -12.016 -3.945 251 HE1 PHE 32 1HE PHE 32 12.480 -16.566 -2.958 252 HE2 PHE 32 2HE PHE 32 10.031 -13.922 -5.236 253 HZ PHE 32 HZ PHE 32 10.822 -16.201 -4.743 254 H GLY 33 H GLY 33 10.891 -9.565 0.034 255 HA2 GLY 33 2HA GLY 33 11.443 -8.000 1.652 256 HA3 GLY 33 1HA GLY 33 12.932 -8.876 1.950 257 H LYS 34 H LYS 34 12.136 -8.123 -1.289 258 HA LYS 34 HA LYS 34 14.264 -6.091 -1.253 259 HB2 LYS 34 2HB LYS 34 13.373 -7.894 -3.504 260 HB3 LYS 34 1HB LYS 34 14.637 -6.669 -3.624 261 HG2 LYS 34 2HG LYS 34 14.752 -8.803 -1.555 262 HG3 LYS 34 1HG LYS 34 15.321 -9.104 -3.196 263 HD2 LYS 34 2HD LYS 34 16.271 -6.792 -1.510 264 HD3 LYS 34 1HD LYS 34 17.069 -8.364 -1.499 265 HE2 LYS 34 2HE LYS 34 16.621 -6.716 -3.981 266 HE3 LYS 34 1HE LYS 34 18.100 -6.670 -3.023 267 HZ1 LYS 34 3HZ LYS 34 16.980 -9.048 -4.411 268 HZ2 LYS 34 1HZ LYS 34 18.367 -9.054 -3.434 269 HZ3 LYS 34 2HZ LYS 34 18.354 -8.165 -4.876 270 H SER 35 H SER 35 14.052 -4.226 -2.185 271 HA SER 35 HA SER 35 11.393 -3.182 -2.236 272 HB2 SER 35 2HB SER 35 14.012 -1.815 -2.855 273 HB3 SER 35 1HB SER 35 12.481 -1.022 -2.487 274 HG SER 35 HG SER 35 14.088 -1.342 -0.710 275 H MET 36 H MET 36 10.194 -2.465 -3.886 276 HA MET 36 HA MET 36 11.281 -2.215 -6.566 277 HB2 MET 36 2HB MET 36 9.461 -3.651 -7.517 278 HB3 MET 36 1HB MET 36 10.669 -4.543 -6.603 279 HG2 MET 36 2HG MET 36 9.190 -4.717 -4.719 280 HG3 MET 36 1HG MET 36 8.000 -3.688 -5.512 281 HE1 MET 36 3HE MET 36 7.875 -4.589 -8.414 282 HE2 MET 36 1HE MET 36 6.402 -4.466 -7.454 283 HE3 MET 36 2HE MET 36 6.709 -5.912 -8.416 284 H ASN 37 H ASN 37 9.205 -1.647 -8.051 285 HA ASN 37 HA ASN 37 7.849 0.503 -6.575 286 HB2 ASN 37 2HB ASN 37 7.535 1.602 -8.750 287 HB3 ASN 37 1HB ASN 37 9.236 1.279 -8.439 288 HD21 ASN 37 1HD2 ASN 37 10.303 -0.276 -9.640 289 HD22 ASN 37 2HD2 ASN 37 9.660 -0.895 -11.128 290 H MET 38 H MET 38 5.641 1.014 -7.190 291 HA MET 38 HA MET 38 4.124 -1.429 -7.764 292 HB2 MET 38 2HB MET 38 3.654 -0.270 -5.624 293 HB3 MET 38 1HB MET 38 3.197 1.169 -6.525 294 HG2 MET 38 2HG MET 38 1.348 -0.022 -7.542 295 HG3 MET 38 1HG MET 38 1.822 -1.500 -6.707 296 HE1 MET 38 3HE MET 38 -1.473 -0.587 -4.870 297 HE2 MET 38 1HE MET 38 -0.609 -1.771 -5.849 298 HE3 MET 38 2HE MET 38 -1.151 -0.257 -6.574 299 HA PRO 39 HA PRO 39 3.151 0.332 -11.717 300 HB2 PRO 39 2HB PRO 39 1.363 -1.532 -12.516 301 HB3 PRO 39 1HB PRO 39 3.103 -1.837 -12.478 302 HG2 PRO 39 2HG PRO 39 0.995 -2.637 -10.513 303 HG3 PRO 39 1HG PRO 39 2.374 -3.569 -11.124 304 HD2 PRO 39 2HD PRO 39 2.368 -2.320 -8.701 305 HD3 PRO 39 1HD PRO 39 3.841 -2.600 -9.652 306 H GLU 40 H GLU 40 1.786 1.906 -12.284 307 HA GLU 40 HA GLU 40 -0.536 2.481 -10.707 308 HB2 GLU 40 2HB GLU 40 0.812 4.284 -11.698 309 HB3 GLU 40 1HB GLU 40 0.400 3.712 -13.310 310 HG2 GLU 40 2HG GLU 40 -1.948 4.212 -12.899 311 HG3 GLU 40 1HG GLU 40 -1.555 4.757 -11.272 312 H GLY 41 H GLY 41 -2.658 2.128 -11.155 313 HA2 GLY 41 2HA GLY 41 -4.493 1.750 -12.612 314 HA3 GLY 41 1HA GLY 41 -3.378 1.108 -13.807 315 H LYS 42 H LYS 42 -2.208 -0.426 -11.326 316 HA LYS 42 HA LYS 42 -4.022 -2.697 -11.693 317 HB2 LYS 42 2HB LYS 42 -1.103 -2.461 -11.113 318 HB3 LYS 42 1HB LYS 42 -1.965 -3.917 -10.640 319 HG2 LYS 42 2HG LYS 42 -1.965 -2.818 -13.440 320 HG3 LYS 42 1HG LYS 42 -0.835 -4.044 -12.861 321 HD2 LYS 42 2HD LYS 42 -2.642 -5.559 -12.382 322 HD3 LYS 42 1HD LYS 42 -3.836 -4.319 -12.767 323 HE2 LYS 42 2HE LYS 42 -1.836 -5.399 -14.743 324 HE3 LYS 42 1HE LYS 42 -3.476 -6.022 -14.565 325 HZ1 LYS 42 3HZ LYS 42 -3.412 -4.432 -16.347 326 HZ2 LYS 42 1HZ LYS 42 -2.705 -3.257 -15.347 327 HZ3 LYS 42 2HZ LYS 42 -4.295 -3.766 -15.065 328 H VAL 43 H VAL 43 -5.203 -3.439 -10.104 329 HA VAL 43 HA VAL 43 -4.757 -2.379 -7.426 330 HB VAL 43 HB VAL 43 -7.035 -2.177 -8.421 331 HG11 VAL 43 1HG1 VAL 43 -7.146 -5.175 -8.141 332 HG12 VAL 43 2HG1 VAL 43 -7.072 -4.286 -9.662 333 HG13 VAL 43 3HG1 VAL 43 -8.479 -4.116 -8.609 334 HG21 VAL 43 3HG2 VAL 43 -8.273 -2.956 -6.432 335 HG22 VAL 43 1HG2 VAL 43 -6.787 -2.100 -6.014 336 HG23 VAL 43 2HG2 VAL 43 -6.845 -3.858 -5.925 337 H MET 44 H MET 44 -4.094 -3.622 -5.775 338 HA MET 44 HA MET 44 -3.755 -6.497 -6.324 339 HB2 MET 44 2HB MET 44 -1.896 -4.660 -4.803 340 HB3 MET 44 1HB MET 44 -1.738 -6.411 -4.848 341 HG2 MET 44 2HG MET 44 -1.517 -6.261 -7.321 342 HG3 MET 44 1HG MET 44 -1.498 -4.505 -7.160 343 HE1 MET 44 3HE MET 44 1.780 -3.966 -5.044 344 HE2 MET 44 1HE MET 44 0.136 -4.160 -4.437 345 HE3 MET 44 2HE MET 44 0.438 -3.165 -5.862 346 H GLU 45 H GLU 45 -4.010 -7.910 -4.552 347 HA GLU 45 HA GLU 45 -5.794 -6.776 -2.533 348 HB2 GLU 45 2HB GLU 45 -6.756 -8.450 -4.008 349 HB3 GLU 45 1HB GLU 45 -5.483 -9.585 -3.586 350 HG2 GLU 45 2HG GLU 45 -6.309 -9.831 -1.403 351 HG3 GLU 45 1HG GLU 45 -7.418 -8.468 -1.588 352 H THR 46 H THR 46 -5.638 -7.450 -0.392 353 HA THR 46 HA THR 46 -2.839 -8.000 0.370 354 HB THR 46 HB THR 46 -3.253 -6.693 2.407 355 HG1 THR 46 1HG THR 46 -5.193 -5.901 2.863 356 HG21 THR 46 3HG2 THR 46 -2.309 -5.593 0.429 357 HG22 THR 46 1HG2 THR 46 -3.329 -4.486 1.347 358 HG23 THR 46 2HG2 THR 46 -3.936 -5.216 -0.138 359 H ARG 47 H ARG 47 -2.512 -9.015 2.481 360 HA ARG 47 HA ARG 47 -3.856 -11.436 2.779 361 HB2 ARG 47 2HB ARG 47 -2.175 -9.867 4.719 362 HB3 ARG 47 1HB ARG 47 -2.747 -11.492 5.048 363 HG2 ARG 47 2HG ARG 47 -1.526 -12.310 3.100 364 HG3 ARG 47 1HG ARG 47 -0.944 -10.673 2.785 365 HD2 ARG 47 2HD ARG 47 0.186 -10.627 4.921 366 HD3 ARG 47 1HD ARG 47 -0.461 -12.215 5.327 367 HE ARG 47 HE ARG 47 0.925 -12.546 2.968 368 HH11 ARG 47 1HH1 ARG 47 1.691 -11.401 6.190 369 HH12 ARG 47 2HH1 ARG 47 3.310 -12.041 6.174 370 HH21 ARG 47 1HH2 ARG 47 3.058 -13.382 2.933 371 HH22 ARG 47 2HH2 ARG 47 4.087 -13.164 4.313 372 H ASP 48 H ASP 48 -4.674 -8.288 4.008 373 HA ASP 48 HA ASP 48 -6.286 -9.387 6.165 374 HB2 ASP 48 2HB ASP 48 -6.596 -7.145 6.922 375 HB3 ASP 48 1HB ASP 48 -4.904 -7.302 6.462 376 H GLY 49 H GLY 49 -6.626 -8.469 2.911 377 HA2 GLY 49 2HA GLY 49 -8.566 -9.264 1.741 378 HA3 GLY 49 1HA GLY 49 -9.522 -8.911 3.169 379 H THR 50 H THR 50 -7.174 -6.588 2.065 380 HA THR 50 HA THR 50 -9.373 -4.924 1.052 381 HB THR 50 HB THR 50 -6.669 -4.051 2.121 382 HG1 THR 50 1HG THR 50 -7.757 -4.634 3.917 383 HG21 THR 50 3HG2 THR 50 -7.649 -2.479 0.498 384 HG22 THR 50 1HG2 THR 50 -7.617 -1.804 2.129 385 HG23 THR 50 2HG2 THR 50 -9.127 -2.423 1.460 386 H LYS 51 H LYS 51 -8.688 -3.426 -0.733 387 HA LYS 51 HA LYS 51 -6.613 -4.628 -2.436 388 HB2 LYS 51 2HB LYS 51 -9.222 -3.366 -3.309 389 HB3 LYS 51 1HB LYS 51 -7.964 -3.950 -4.389 390 HG2 LYS 51 2HG LYS 51 -8.289 -6.221 -3.557 391 HG3 LYS 51 1HG LYS 51 -9.542 -5.644 -2.455 392 HD2 LYS 51 2HD LYS 51 -10.832 -4.854 -4.420 393 HD3 LYS 51 1HD LYS 51 -9.598 -5.557 -5.469 394 HE2 LYS 51 2HE LYS 51 -11.243 -7.091 -3.460 395 HE3 LYS 51 1HE LYS 51 -11.573 -7.010 -5.190 396 HZ1 LYS 51 3HZ LYS 51 -9.279 -7.949 -5.513 397 HZ2 LYS 51 1HZ LYS 51 -10.407 -9.002 -4.807 398 HZ3 LYS 51 2HZ LYS 51 -9.244 -8.247 -3.842 399 H ILE 52 H ILE 52 -5.262 -3.213 -3.514 400 HA ILE 52 HA ILE 52 -5.604 -0.336 -2.990 401 HB ILE 52 HB ILE 52 -3.183 -0.146 -2.462 402 HG12 ILE 52 2HG1 ILE 52 -3.303 -3.177 -2.461 403 HG13 ILE 52 1HG1 ILE 52 -2.381 -2.172 -3.575 404 HG21 ILE 52 1HG2 ILE 52 -4.838 -0.264 -0.662 405 HG22 ILE 52 2HG2 ILE 52 -3.314 -1.007 -0.188 406 HG23 ILE 52 3HG2 ILE 52 -4.686 -2.021 -0.634 407 HD11 ILE 52 3HD1 ILE 52 -1.898 -2.504 -0.619 408 HD12 ILE 52 1HD1 ILE 52 -1.024 -1.382 -1.665 409 HD13 ILE 52 2HD1 ILE 52 -0.908 -3.118 -1.940 410 H ILE 53 H ILE 53 -4.563 1.050 -4.466 411 HA ILE 53 HA ILE 53 -2.982 0.020 -6.608 412 HB ILE 53 HB ILE 53 -4.918 -0.659 -7.728 413 HG12 ILE 53 2HG1 ILE 53 -3.325 1.124 -8.928 414 HG13 ILE 53 1HG1 ILE 53 -4.694 0.374 -9.736 415 HG21 ILE 53 1HG2 ILE 53 -6.209 1.968 -7.037 416 HG22 ILE 53 2HG2 ILE 53 -6.587 0.392 -6.344 417 HG23 ILE 53 3HG2 ILE 53 -6.919 0.708 -8.047 418 HD11 ILE 53 3HD1 ILE 53 -4.595 2.760 -10.169 419 HD12 ILE 53 1HD1 ILE 53 -4.684 3.090 -8.439 420 HD13 ILE 53 2HD1 ILE 53 -6.052 2.343 -9.267 421 H MET 54 H MET 54 -1.958 1.644 -7.841 422 HA MET 54 HA MET 54 -1.825 4.206 -6.361 423 HB2 MET 54 2HB MET 54 0.229 2.917 -6.338 424 HB3 MET 54 1HB MET 54 0.175 2.710 -8.078 425 HG2 MET 54 2HG MET 54 0.584 5.086 -8.392 426 HG3 MET 54 1HG MET 54 0.591 5.331 -6.643 427 HE1 MET 54 3HE MET 54 3.009 6.528 -6.915 428 HE2 MET 54 1HE MET 54 2.973 6.217 -8.651 429 HE3 MET 54 2HE MET 54 4.386 5.752 -7.702 430 H LYS 55 H LYS 55 -2.076 6.106 -7.412 431 HA LYS 55 HA LYS 55 -2.286 6.151 -10.314 432 HB2 LYS 55 2HB LYS 55 -4.610 5.738 -9.195 433 HB3 LYS 55 1HB LYS 55 -4.496 7.426 -8.717 434 HG2 LYS 55 2HG LYS 55 -5.757 7.335 -10.724 435 HG3 LYS 55 1HG LYS 55 -4.171 7.994 -11.133 436 HD2 LYS 55 2HD LYS 55 -3.469 5.714 -11.834 437 HD3 LYS 55 1HD LYS 55 -5.119 5.162 -11.549 438 HE2 LYS 55 2HE LYS 55 -4.851 5.595 -13.892 439 HE3 LYS 55 1HE LYS 55 -5.903 6.832 -13.210 440 HZ1 LYS 55 3HZ LYS 55 -4.074 8.374 -13.190 441 HZ2 LYS 55 1HZ LYS 55 -4.244 7.737 -14.752 442 HZ3 LYS 55 2HZ LYS 55 -2.998 7.183 -13.743 443 H GLY 56 H GLY 56 -0.791 7.673 -10.753 444 HA2 GLY 56 2HA GLY 56 0.535 9.529 -10.445 445 HA3 GLY 56 1HA GLY 56 -0.691 10.166 -9.346 446 H ASN 57 H ASN 57 0.997 10.788 -7.878 447 HA ASN 57 HA ASN 57 2.601 8.757 -6.655 448 HB2 ASN 57 2HB ASN 57 3.067 11.326 -7.011 449 HB3 ASN 57 1HB ASN 57 2.220 11.487 -5.480 450 HD21 ASN 57 1HD2 ASN 57 3.216 8.930 -4.465 451 HD22 ASN 57 2HD2 ASN 57 4.887 9.194 -4.074 452 H GLU 58 H GLU 58 -0.566 9.140 -6.456 453 HA GLU 58 HA GLU 58 -0.730 8.851 -3.547 454 HB2 GLU 58 2HB GLU 58 -2.892 9.350 -5.588 455 HB3 GLU 58 1HB GLU 58 -3.168 9.130 -3.869 456 HG2 GLU 58 2HG GLU 58 -3.141 11.377 -3.873 457 HG3 GLU 58 1HG GLU 58 -1.403 11.132 -3.757 458 H ILE 59 H ILE 59 -2.769 7.371 -3.038 459 HA ILE 59 HA ILE 59 -2.719 5.032 -4.734 460 HB ILE 59 HB ILE 59 -0.864 4.844 -2.943 461 HG12 ILE 59 2HG1 ILE 59 -2.936 2.647 -3.086 462 HG13 ILE 59 1HG1 ILE 59 -1.777 3.004 -4.363 463 HG21 ILE 59 1HG2 ILE 59 -1.565 3.995 -0.775 464 HG22 ILE 59 2HG2 ILE 59 -3.258 4.210 -1.222 465 HG23 ILE 59 3HG2 ILE 59 -2.208 5.618 -1.038 466 HD11 ILE 59 3HD1 ILE 59 -1.074 2.170 -1.561 467 HD12 ILE 59 1HD1 ILE 59 0.059 2.466 -2.881 468 HD13 ILE 59 2HD1 ILE 59 -1.079 1.120 -2.978 469 H PHE 60 H PHE 60 -4.539 3.962 -4.754 470 HA PHE 60 HA PHE 60 -6.806 4.734 -3.138 471 HB2 PHE 60 2HB PHE 60 -7.560 4.173 -5.227 472 HB3 PHE 60 1HB PHE 60 -6.220 3.089 -5.538 473 HD1 PHE 60 1HD PHE 60 -6.351 0.777 -4.282 474 HD2 PHE 60 2HD PHE 60 -9.676 3.324 -4.959 475 HE1 PHE 60 1HE PHE 60 -7.883 -1.121 -3.929 476 HE2 PHE 60 2HE PHE 60 -11.202 1.454 -4.616 477 HZ PHE 60 HZ PHE 60 -10.241 -0.878 -4.356 478 H ARG 61 H ARG 61 -6.844 4.047 -1.105 479 HA ARG 61 HA ARG 61 -6.147 1.223 -0.636 480 HB2 ARG 61 2HB ARG 61 -5.109 3.317 0.764 481 HB3 ARG 61 1HB ARG 61 -6.580 3.017 1.695 482 HG2 ARG 61 2HG ARG 61 -4.550 0.889 1.051 483 HG3 ARG 61 1HG ARG 61 -4.515 1.853 2.523 484 HD2 ARG 61 2HD ARG 61 -6.951 0.289 1.722 485 HD3 ARG 61 1HD ARG 61 -5.625 -0.465 2.606 486 HE ARG 61 HE ARG 61 -6.489 1.935 3.881 487 HH11 ARG 61 1HH1 ARG 61 -7.339 -1.448 3.448 488 HH12 ARG 61 2HH1 ARG 61 -8.198 -1.559 4.953 489 HH21 ARG 61 1HH2 ARG 61 -7.614 1.774 5.868 490 HH22 ARG 61 2HH2 ARG 61 -8.348 0.263 6.324 491 H LEU 62 H LEU 62 -7.952 0.135 -0.766 492 HA LEU 62 HA LEU 62 -10.214 -0.362 -0.862 493 HB2 LEU 62 2HB LEU 62 -9.973 -0.551 1.443 494 HB3 LEU 62 1HB LEU 62 -9.686 1.154 1.658 495 HG LEU 62 HG LEU 62 -11.722 0.395 2.736 496 HD11 LEU 62 1HD1 LEU 62 -12.283 2.232 0.446 497 HD12 LEU 62 2HD1 LEU 62 -11.450 2.680 1.937 498 HD13 LEU 62 3HD1 LEU 62 -13.142 2.156 1.987 499 HD21 LEU 62 3HD2 LEU 62 -12.351 -1.396 1.199 500 HD22 LEU 62 1HD2 LEU 62 -12.714 -0.206 -0.050 501 HD23 LEU 62 2HD2 LEU 62 -13.679 -0.258 1.424 502 H ASP 63 H ASP 63 -9.344 2.995 -0.845 503 HA ASP 63 HA ASP 63 -10.087 4.863 -1.815 504 HB2 ASP 63 2HB ASP 63 -10.564 3.567 -3.803 505 HB3 ASP 63 1HB ASP 63 -12.121 3.112 -3.153 506 H GLU 64 H GLU 64 -10.619 4.835 0.593 507 HA GLU 64 HA GLU 64 -12.511 6.736 1.018 508 HB2 GLU 64 2HB GLU 64 -14.288 5.129 0.529 509 HB3 GLU 64 1HB GLU 64 -13.637 4.006 1.715 510 HG2 GLU 64 2HG GLU 64 -14.183 5.500 3.508 511 HG3 GLU 64 1HG GLU 64 -14.698 6.742 2.369 512 H ALA 65 H ALA 65 -11.123 3.811 2.351 513 HA ALA 65 HA ALA 65 -11.035 4.308 5.043 514 HB1 ALA 65 1HB ALA 65 -10.244 2.238 3.875 515 HB2 ALA 65 2HB ALA 65 -9.153 2.821 5.149 516 HB3 ALA 65 3HB ALA 65 -8.761 3.118 3.455 517 H LEU 66 H LEU 66 -8.433 5.098 2.768 518 HA LEU 66 HA LEU 66 -7.246 6.930 4.688 519 HB2 LEU 66 2HB LEU 66 -5.311 6.866 3.388 520 HB3 LEU 66 1HB LEU 66 -5.939 5.240 3.321 521 HG LEU 66 HG LEU 66 -5.182 5.632 1.166 522 HD11 LEU 66 1HD1 LEU 66 -8.104 6.356 1.044 523 HD12 LEU 66 2HD1 LEU 66 -7.428 4.726 1.051 524 HD13 LEU 66 3HD1 LEU 66 -7.123 5.803 -0.313 525 HD21 LEU 66 3HD2 LEU 66 -6.352 8.379 1.415 526 HD22 LEU 66 1HD2 LEU 66 -5.715 7.724 -0.097 527 HD23 LEU 66 2HD2 LEU 66 -4.652 7.929 1.296 528 H ARG 67 H ARG 67 -9.525 7.010 2.349 529 HA ARG 67 HA ARG 67 -8.815 9.427 0.987 530 HB2 ARG 67 2HB ARG 67 -9.978 7.690 -0.195 531 HB3 ARG 67 1HB ARG 67 -11.277 7.687 0.977 532 HG2 ARG 67 2HG ARG 67 -11.936 9.904 0.253 533 HG3 ARG 67 1HG ARG 67 -10.614 9.918 -0.912 534 HD2 ARG 67 2HD ARG 67 -11.558 8.040 -2.079 535 HD3 ARG 67 1HD ARG 67 -12.818 7.873 -0.857 536 HE ARG 67 HE ARG 67 -13.012 10.447 -1.899 537 HH11 ARG 67 1HH1 ARG 67 -13.264 7.163 -3.099 538 HH12 ARG 67 2HH1 ARG 67 -14.496 7.548 -4.263 539 HH21 ARG 67 1HH2 ARG 67 -14.598 10.962 -3.424 540 HH22 ARG 67 2HH2 ARG 67 -15.285 9.718 -4.430 541 H LYS 68 H LYS 68 -11.575 8.525 3.082 542 HA LYS 68 HA LYS 68 -11.925 11.394 3.618 543 HB2 LYS 68 2HB LYS 68 -13.946 9.150 3.807 544 HB3 LYS 68 1HB LYS 68 -14.257 10.824 4.243 545 HG2 LYS 68 2HG LYS 68 -13.738 11.469 1.899 546 HG3 LYS 68 1HG LYS 68 -13.617 9.753 1.503 547 HD2 LYS 68 2HD LYS 68 -15.940 9.434 2.219 548 HD3 LYS 68 1HD LYS 68 -16.053 11.149 2.616 549 HE2 LYS 68 2HE LYS 68 -15.529 9.993 -0.121 550 HE3 LYS 68 1HE LYS 68 -17.059 10.661 0.439 551 HZ1 LYS 68 3HZ LYS 68 -15.944 12.811 0.734 552 HZ2 LYS 68 1HZ LYS 68 -15.874 12.281 -0.873 553 HZ3 LYS 68 2HZ LYS 68 -14.507 12.160 0.121 554 H GLY 69 H GLY 69 -10.159 11.119 5.178 555 HA2 GLY 69 2HA GLY 69 -10.972 11.205 7.791 556 HA3 GLY 69 1HA GLY 69 -10.589 9.512 7.513 557 H HIS 70 H HIS 70 -9.094 12.580 6.492 558 HA HIS 70 HA HIS 70 -6.479 11.466 7.100 559 HB2 HIS 70 2HB HIS 70 -7.419 13.928 5.674 560 HB3 HIS 70 1HB HIS 70 -5.766 13.850 6.275 561 HD1 HIS 70 1HD HIS 70 -7.258 13.575 3.221 562 HD2 HIS 70 2HD HIS 70 -4.830 10.943 5.346 563 HE1 HIS 70 1HE HIS 70 -6.255 12.035 1.504 564 HE2 HIS 70 2HE HIS 70 -4.629 10.598 2.787 565 H SER 71 H SER 71 -8.670 13.938 8.282 566 HA SER 71 HA SER 71 -6.793 14.513 10.467 567 HB2 SER 71 2HB SER 71 -9.245 16.038 9.557 568 HB3 SER 71 1HB SER 71 -8.174 16.519 10.873 569 HG SER 71 HG SER 71 -6.483 16.694 9.364 570 H GLU 72 H GLU 72 -7.099 13.113 12.072 571 HA GLU 72 HA GLU 72 -9.868 12.654 12.984 572 HB2 GLU 72 2HB GLU 72 -9.080 10.475 13.871 573 HB3 GLU 72 1HB GLU 72 -8.968 10.587 12.121 574 HG2 GLU 72 2HG GLU 72 -6.586 11.001 12.270 575 HG3 GLU 72 1HG GLU 72 -6.677 10.976 14.031 576 H GLY 73 H GLY 73 -9.768 11.830 15.399 577 HA2 GLY 73 2HA GLY 73 -9.219 12.275 17.598 578 HA3 GLY 73 1HA GLY 73 -7.698 12.952 17.031 579 H GLY 74 H GLY 74 -10.661 14.107 15.705 580 HA2 GLY 74 2HA GLY 74 -11.339 16.182 17.414 581 HA3 GLY 74 1HA GLY 74 -10.053 16.790 16.378 Start of MODEL 12 1 H1 VAL 1 1HT VAL 1 12.992 -1.579 3.634 2 H2 VAL 1 2HT VAL 1 14.142 -0.413 4.062 3 H3 VAL 1 3HT VAL 1 13.472 -0.404 2.508 4 HA VAL 1 HA VAL 1 12.520 1.336 3.852 5 HB VAL 1 HB VAL 1 10.577 -0.921 3.309 6 HG11 VAL 1 2HG1 VAL 1 9.622 0.773 4.795 7 HG12 VAL 1 3HG1 VAL 1 8.866 0.818 3.203 8 HG13 VAL 1 1HG1 VAL 1 10.063 2.034 3.644 9 HG21 VAL 1 1HG2 VAL 1 10.179 0.222 1.185 10 HG22 VAL 1 2HG2 VAL 1 11.862 -0.279 1.335 11 HG23 VAL 1 3HG2 VAL 1 11.419 1.410 1.587 12 H ASP 2 H ASP 2 12.359 1.990 5.866 13 HA ASP 2 HA ASP 2 11.892 0.043 7.996 14 HB2 ASP 2 2HB ASP 2 12.827 2.922 8.067 15 HB3 ASP 2 1HB ASP 2 12.565 1.930 9.499 16 H MET 3 H MET 3 10.457 0.706 9.805 17 HA MET 3 HA MET 3 7.961 1.715 8.694 18 HB2 MET 3 2HB MET 3 8.534 0.429 11.366 19 HB3 MET 3 1HB MET 3 6.942 0.783 10.711 20 HG2 MET 3 2HG MET 3 8.953 -1.122 9.556 21 HG3 MET 3 1HG MET 3 7.492 -1.554 10.437 22 HE1 MET 3 3HE MET 3 7.322 -2.281 6.402 23 HE2 MET 3 1HE MET 3 7.760 -3.035 7.935 24 HE3 MET 3 2HE MET 3 8.846 -1.864 7.185 25 H SER 4 H SER 4 10.508 3.172 10.007 26 HA SER 4 HA SER 4 9.294 4.599 12.198 27 HB2 SER 4 2HB SER 4 11.571 5.826 12.078 28 HB3 SER 4 1HB SER 4 11.559 4.130 12.564 29 HG SER 4 HG SER 4 12.833 3.780 10.951 30 H ASN 5 H ASN 5 9.261 4.883 8.919 31 HA ASN 5 HA ASN 5 8.591 7.728 9.094 32 HB2 ASN 5 2HB ASN 5 9.460 7.885 6.714 33 HB3 ASN 5 1HB ASN 5 10.667 7.763 7.981 34 HD21 ASN 5 1HD2 ASN 5 8.785 5.043 6.768 35 HD22 ASN 5 2HD2 ASN 5 10.121 4.214 6.060 36 H VAL 6 H VAL 6 7.399 4.948 8.955 37 HA VAL 6 HA VAL 6 5.562 5.436 6.720 38 HB VAL 6 HB VAL 6 7.090 3.110 7.537 39 HG11 VAL 6 1HG1 VAL 6 5.430 1.428 6.981 40 HG12 VAL 6 2HG1 VAL 6 4.182 2.676 6.923 41 HG13 VAL 6 3HG1 VAL 6 5.005 2.315 8.445 42 HG21 VAL 6 3HG2 VAL 6 6.783 2.528 5.217 43 HG22 VAL 6 1HG2 VAL 6 7.184 4.243 5.373 44 HG23 VAL 6 2HG2 VAL 6 5.519 3.748 5.056 45 H VAL 7 H VAL 7 3.453 5.506 7.036 46 HA VAL 7 HA VAL 7 2.524 5.508 9.809 47 HB VAL 7 HB VAL 7 0.415 6.435 8.973 48 HG11 VAL 7 1HG1 VAL 7 2.872 7.835 7.942 49 HG12 VAL 7 2HG1 VAL 7 2.168 7.978 9.553 50 HG13 VAL 7 3HG1 VAL 7 1.289 8.585 8.149 51 HG21 VAL 7 3HG2 VAL 7 0.362 5.290 6.796 52 HG22 VAL 7 1HG2 VAL 7 1.674 6.330 6.234 53 HG23 VAL 7 2HG2 VAL 7 0.104 7.030 6.643 54 H LYS 8 H LYS 8 2.284 3.532 6.993 55 HA LYS 8 HA LYS 8 1.065 1.418 8.441 56 HB2 LYS 8 2HB LYS 8 -0.959 2.765 8.075 57 HB3 LYS 8 1HB LYS 8 -0.660 2.765 6.343 58 HG2 LYS 8 2HG LYS 8 -2.370 1.146 6.917 59 HG3 LYS 8 1HG LYS 8 -0.929 0.330 6.306 60 HD2 LYS 8 2HD LYS 8 -0.227 -0.078 8.647 61 HD3 LYS 8 1HD LYS 8 -1.753 0.620 9.191 62 HE2 LYS 8 2HE LYS 8 -3.000 -1.115 8.099 63 HE3 LYS 8 1HE LYS 8 -1.538 -1.749 7.343 64 HZ1 LYS 8 3HZ LYS 8 -2.133 -1.720 10.255 65 HZ2 LYS 8 1HZ LYS 8 -0.691 -2.282 9.557 66 HZ3 LYS 8 2HZ LYS 8 -2.155 -3.081 9.243 67 H THR 9 H THR 9 1.518 -0.436 7.570 68 HA THR 9 HA THR 9 2.482 -0.509 4.800 69 HB THR 9 HB THR 9 3.263 -2.123 7.206 70 HG1 THR 9 1HG THR 9 4.575 -0.471 7.262 71 HG21 THR 9 3HG2 THR 9 4.806 -3.371 5.764 72 HG22 THR 9 1HG2 THR 9 4.130 -2.554 4.354 73 HG23 THR 9 2HG2 THR 9 3.126 -3.647 5.305 74 H TYR 10 H TYR 10 1.767 -2.133 3.473 75 HA TYR 10 HA TYR 10 -0.418 -3.802 4.487 76 HB2 TYR 10 2HB TYR 10 -0.246 -2.212 1.965 77 HB3 TYR 10 1HB TYR 10 -1.225 -3.679 2.021 78 HD1 TYR 10 2HD TYR 10 -2.763 -3.861 4.125 79 HD2 TYR 10 1HD TYR 10 -1.271 -0.221 2.541 80 HE1 TYR 10 2HE TYR 10 -4.564 -2.662 5.251 81 HE2 TYR 10 1HE TYR 10 -3.075 1.018 3.668 82 HH TYR 10 HH TYR 10 -5.043 -0.387 6.082 83 H ASP 11 H ASP 11 -0.388 -5.809 4.138 84 HA ASP 11 HA ASP 11 1.885 -6.834 2.591 85 HB2 ASP 11 2HB ASP 11 1.659 -7.422 5.098 86 HB3 ASP 11 1HB ASP 11 0.336 -8.470 4.590 87 H LEU 12 H LEU 12 1.526 -7.917 0.910 88 HA LEU 12 HA LEU 12 -1.208 -8.227 -0.056 89 HB2 LEU 12 2HB LEU 12 1.379 -8.922 -1.461 90 HB3 LEU 12 1HB LEU 12 -0.215 -8.883 -2.191 91 HG LEU 12 HG LEU 12 1.500 -6.579 -1.317 92 HD11 LEU 12 1HD1 LEU 12 1.150 -5.830 -3.581 93 HD12 LEU 12 2HD1 LEU 12 0.054 -7.177 -3.886 94 HD13 LEU 12 3HD1 LEU 12 1.762 -7.483 -3.583 95 HD21 LEU 12 3HD2 LEU 12 -0.727 -6.173 -0.404 96 HD22 LEU 12 1HD2 LEU 12 -1.435 -6.460 -1.994 97 HD23 LEU 12 2HD2 LEU 12 -0.366 -5.079 -1.738 98 H GLN 13 H GLN 13 -1.994 -10.325 -0.813 99 HA GLN 13 HA GLN 13 -1.510 -12.300 1.148 100 HB2 GLN 13 2HB GLN 13 -3.650 -11.928 -0.144 101 HB3 GLN 13 1HB GLN 13 -2.883 -12.751 -1.498 102 HG2 GLN 13 2HG GLN 13 -2.617 -14.753 -0.169 103 HG3 GLN 13 1HG GLN 13 -3.303 -13.933 1.233 104 HE21 GLN 13 1HE2 GLN 13 -4.498 -13.467 -2.002 105 HE22 GLN 13 2HE2 GLN 13 -6.003 -14.285 -1.774 106 H ASP 14 H ASP 14 0.297 -11.501 -1.495 107 HA ASP 14 HA ASP 14 1.296 -14.210 -1.949 108 HB2 ASP 14 2HB ASP 14 0.771 -12.940 -3.963 109 HB3 ASP 14 1HB ASP 14 1.816 -11.626 -3.438 110 H GLY 15 H GLY 15 1.929 -11.414 -0.154 111 HA2 GLY 15 2HA GLY 15 3.628 -11.704 1.574 112 HA3 GLY 15 1HA GLY 15 4.678 -12.365 0.340 113 H SER 16 H SER 16 3.378 -10.012 -1.339 114 HA SER 16 HA SER 16 5.713 -8.384 -1.064 115 HB2 SER 16 2HB SER 16 3.257 -7.714 -2.675 116 HB3 SER 16 1HB SER 16 4.914 -7.192 -2.956 117 HG SER 16 HG SER 16 4.624 -9.915 -2.877 118 H LYS 17 H LYS 17 5.791 -6.165 -0.491 119 HA LYS 17 HA LYS 17 3.708 -5.468 1.465 120 HB2 LYS 17 2HB LYS 17 6.709 -5.166 1.589 121 HB3 LYS 17 1HB LYS 17 5.606 -4.401 2.735 122 HG2 LYS 17 2HG LYS 17 4.830 -6.502 3.518 123 HG3 LYS 17 1HG LYS 17 5.663 -7.354 2.216 124 HD2 LYS 17 2HD LYS 17 7.795 -6.812 3.139 125 HD3 LYS 17 1HD LYS 17 7.060 -5.748 4.343 126 HE2 LYS 17 2HE LYS 17 7.745 -8.067 5.131 127 HE3 LYS 17 1HE LYS 17 6.106 -7.544 5.512 128 HZ1 LYS 17 3HZ LYS 17 6.816 -9.273 3.202 129 HZ2 LYS 17 1HZ LYS 17 5.250 -8.856 3.717 130 HZ3 LYS 17 2HZ LYS 17 6.232 -9.844 4.683 131 H VAL 18 H VAL 18 2.722 -3.625 1.209 132 HA VAL 18 HA VAL 18 4.003 -1.478 -0.368 133 HB VAL 18 HB VAL 18 1.083 -1.981 0.306 134 HG11 VAL 18 1HG1 VAL 18 0.574 -0.051 -1.125 135 HG12 VAL 18 2HG1 VAL 18 2.298 0.267 -1.317 136 HG13 VAL 18 3HG1 VAL 18 1.544 0.420 0.272 137 HG21 VAL 18 3HG2 VAL 18 1.952 -3.465 -1.423 138 HG22 VAL 18 1HG2 VAL 18 2.538 -2.077 -2.340 139 HG23 VAL 18 2HG2 VAL 18 0.804 -2.309 -2.104 140 H HIS 19 H HIS 19 4.234 0.565 0.651 141 HA HIS 19 HA HIS 19 3.115 0.733 3.369 142 HB2 HIS 19 2HB HIS 19 5.736 2.060 2.852 143 HB3 HIS 19 1HB HIS 19 5.044 1.506 4.369 144 HD1 HIS 19 1HD HIS 19 5.561 -0.912 5.085 145 HD2 HIS 19 2HD HIS 19 7.093 0.186 1.410 146 HE1 HIS 19 1HE HIS 19 7.171 -2.744 4.457 147 HE2 HIS 19 2HE HIS 19 8.249 -1.961 2.316 148 H VAL 20 H VAL 20 2.174 2.571 3.875 149 HA VAL 20 HA VAL 20 2.394 4.808 1.997 150 HB VAL 20 HB VAL 20 0.514 4.493 4.350 151 HG11 VAL 20 1HG1 VAL 20 0.931 6.818 3.771 152 HG12 VAL 20 2HG1 VAL 20 -0.707 6.360 3.303 153 HG13 VAL 20 3HG1 VAL 20 0.559 6.484 2.080 154 HG21 VAL 20 3HG2 VAL 20 0.073 2.808 2.625 155 HG22 VAL 20 1HG2 VAL 20 -0.031 4.083 1.409 156 HG23 VAL 20 2HG2 VAL 20 -1.223 4.004 2.706 157 H PHE 21 H PHE 21 3.869 6.262 2.462 158 HA PHE 21 HA PHE 21 5.257 6.085 4.968 159 HB2 PHE 21 2HB PHE 21 5.686 7.575 2.405 160 HB3 PHE 21 1HB PHE 21 6.637 7.956 3.836 161 HD1 PHE 21 1HD PHE 21 5.782 5.330 1.430 162 HD2 PHE 21 2HD PHE 21 8.478 6.532 4.514 163 HE1 PHE 21 1HE PHE 21 7.256 3.436 0.888 164 HE2 PHE 21 2HE PHE 21 9.943 4.646 3.963 165 HZ PHE 21 HZ PHE 21 9.499 3.216 2.211 166 H LYS 22 H LYS 22 5.718 7.839 6.314 167 HA LYS 22 HA LYS 22 3.461 9.139 7.273 168 HB2 LYS 22 2HB LYS 22 4.943 10.224 8.822 169 HB3 LYS 22 1HB LYS 22 5.567 8.605 8.533 170 HG2 LYS 22 2HG LYS 22 7.298 9.385 7.172 171 HG3 LYS 22 1HG LYS 22 6.578 10.994 7.044 172 HD2 LYS 22 2HD LYS 22 6.847 10.921 9.681 173 HD3 LYS 22 1HD LYS 22 8.120 9.769 9.272 174 HE2 LYS 22 2HE LYS 22 7.882 12.560 8.157 175 HE3 LYS 22 1HE LYS 22 8.941 12.092 9.484 176 HZ1 LYS 22 3HZ LYS 22 10.167 10.670 8.026 177 HZ2 LYS 22 1HZ LYS 22 10.075 12.210 7.323 178 HZ3 LYS 22 2HZ LYS 22 9.093 10.953 6.741 179 H ASP 23 H ASP 23 5.696 10.145 4.821 180 HA ASP 23 HA ASP 23 4.915 12.939 5.040 181 HB2 ASP 23 2HB ASP 23 6.717 13.398 3.492 182 HB3 ASP 23 1HB ASP 23 7.325 12.340 4.759 183 H GLY 24 H GLY 24 3.712 10.244 3.725 184 HA2 GLY 24 2HA GLY 24 1.805 10.401 2.390 185 HA3 GLY 24 1HA GLY 24 2.509 11.784 1.595 186 H LYS 25 H LYS 25 5.106 9.832 1.476 187 HA LYS 25 HA LYS 25 4.547 9.015 -1.189 188 HB2 LYS 25 2HB LYS 25 6.856 8.818 0.671 189 HB3 LYS 25 1HB LYS 25 6.818 7.779 -0.749 190 HG2 LYS 25 2HG LYS 25 6.572 9.749 -2.176 191 HG3 LYS 25 1HG LYS 25 6.649 10.778 -0.747 192 HD2 LYS 25 2HD LYS 25 8.799 8.836 -1.521 193 HD3 LYS 25 1HD LYS 25 8.800 10.530 -2.009 194 HE2 LYS 25 2HE LYS 25 8.871 11.239 0.292 195 HE3 LYS 25 1HE LYS 25 8.697 9.577 0.849 196 HZ1 LYS 25 3HZ LYS 25 10.846 9.049 0.154 197 HZ2 LYS 25 1HZ LYS 25 11.003 10.564 0.886 198 HZ3 LYS 25 2HZ LYS 25 11.001 10.440 -0.805 199 H MET 26 H MET 26 5.268 6.703 -1.802 200 HA MET 26 HA MET 26 4.391 4.712 0.147 201 HB2 MET 26 2HB MET 26 3.452 4.688 -2.726 202 HB3 MET 26 1HB MET 26 3.032 3.531 -1.476 203 HG2 MET 26 2HG MET 26 1.143 4.805 -1.547 204 HG3 MET 26 1HG MET 26 2.044 5.631 -0.276 205 HE1 MET 26 3HE MET 26 1.197 5.627 -4.117 206 HE2 MET 26 1HE MET 26 2.954 5.791 -4.087 207 HE3 MET 26 2HE MET 26 1.951 7.132 -4.639 208 H GLY 27 H GLY 27 5.338 2.689 -0.115 209 HA2 GLY 27 2HA GLY 27 7.229 2.414 -2.351 210 HA3 GLY 27 1HA GLY 27 7.763 2.119 -0.703 211 H MET 28 H MET 28 7.539 0.317 -3.102 212 HA MET 28 HA MET 28 5.825 -1.731 -1.861 213 HB2 MET 28 2HB MET 28 4.986 -0.965 -4.061 214 HB3 MET 28 1HB MET 28 6.511 -1.450 -4.792 215 HG2 MET 28 2HG MET 28 6.073 -3.774 -4.110 216 HG3 MET 28 1HG MET 28 4.521 -3.267 -3.446 217 HE1 MET 28 3HE MET 28 4.868 -5.628 -5.574 218 HE2 MET 28 1HE MET 28 3.503 -5.294 -6.640 219 HE3 MET 28 2HE MET 28 3.319 -5.134 -4.893 220 H GLU 29 H GLU 29 6.658 -3.661 -1.458 221 HA GLU 29 HA GLU 29 9.335 -4.333 -2.471 222 HB2 GLU 29 2HB GLU 29 8.332 -4.435 0.369 223 HB3 GLU 29 1HB GLU 29 9.591 -5.535 -0.178 224 HG2 GLU 29 2HG GLU 29 11.090 -3.809 -0.602 225 HG3 GLU 29 1HG GLU 29 9.829 -2.576 -0.545 226 H ASN 30 H ASN 30 9.688 -6.624 -2.671 227 HA ASN 30 HA ASN 30 7.188 -8.034 -3.130 228 HB2 ASN 30 2HB ASN 30 8.556 -9.781 -4.183 229 HB3 ASN 30 1HB ASN 30 8.899 -8.199 -4.866 230 HD21 ASN 30 1HD2 ASN 30 10.874 -9.026 -5.637 231 HD22 ASN 30 2HD2 ASN 30 12.225 -9.244 -4.579 232 H LYS 31 H LYS 31 7.021 -10.325 -2.417 233 HA LYS 31 HA LYS 31 7.146 -10.735 0.263 234 HB2 LYS 31 2HB LYS 31 7.060 -13.194 -0.305 235 HB3 LYS 31 1HB LYS 31 5.826 -12.172 -1.021 236 HG2 LYS 31 2HG LYS 31 7.141 -12.113 -3.116 237 HG3 LYS 31 1HG LYS 31 8.279 -13.251 -2.384 238 HD2 LYS 31 2HD LYS 31 6.654 -14.947 -2.251 239 HD3 LYS 31 1HD LYS 31 5.337 -13.817 -2.573 240 HE2 LYS 31 2HE LYS 31 6.236 -13.479 -4.844 241 HE3 LYS 31 1HE LYS 31 7.483 -14.680 -4.507 242 HZ1 LYS 31 3HZ LYS 31 4.551 -15.180 -4.491 243 HZ2 LYS 31 1HZ LYS 31 5.760 -16.332 -4.176 244 HZ3 LYS 31 2HZ LYS 31 5.632 -15.642 -5.716 245 H PHE 32 H PHE 32 9.906 -10.643 -1.703 246 HA PHE 32 HA PHE 32 11.437 -12.309 0.154 247 HB2 PHE 32 2HB PHE 32 12.326 -11.036 -2.443 248 HB3 PHE 32 1HB PHE 32 13.255 -12.172 -1.471 249 HD1 PHE 32 1HD PHE 32 12.193 -14.493 -1.081 250 HD2 PHE 32 2HD PHE 32 10.981 -11.812 -4.154 251 HE1 PHE 32 1HE PHE 32 11.209 -16.373 -2.327 252 HE2 PHE 32 2HE PHE 32 9.992 -13.684 -5.405 253 HZ PHE 32 HZ PHE 32 10.079 -15.967 -4.473 254 H GLY 33 H GLY 33 10.468 -9.154 -0.094 255 HA2 GLY 33 2HA GLY 33 11.037 -7.495 1.433 256 HA3 GLY 33 1HA GLY 33 12.511 -8.371 1.815 257 H LYS 34 H LYS 34 11.758 -7.891 -1.480 258 HA LYS 34 HA LYS 34 14.006 -6.016 -1.640 259 HB2 LYS 34 2HB LYS 34 12.756 -7.768 -3.744 260 HB3 LYS 34 1HB LYS 34 14.068 -6.637 -4.044 261 HG2 LYS 34 2HG LYS 34 14.252 -8.780 -1.982 262 HG3 LYS 34 1HG LYS 34 14.703 -9.062 -3.665 263 HD2 LYS 34 2HD LYS 34 15.862 -6.957 -1.836 264 HD3 LYS 34 1HD LYS 34 16.643 -8.478 -2.266 265 HE2 LYS 34 2HE LYS 34 16.833 -7.817 -4.554 266 HE3 LYS 34 1HE LYS 34 15.822 -6.397 -4.287 267 HZ1 LYS 34 3HZ LYS 34 17.501 -5.433 -2.931 268 HZ2 LYS 34 1HZ LYS 34 18.225 -5.907 -4.387 269 HZ3 LYS 34 2HZ LYS 34 18.451 -6.838 -2.984 270 H SER 35 H SER 35 13.880 -4.136 -2.469 271 HA SER 35 HA SER 35 11.315 -2.891 -2.602 272 HB2 SER 35 2HB SER 35 12.751 -0.847 -3.157 273 HB3 SER 35 1HB SER 35 13.014 -1.618 -1.592 274 HG SER 35 HG SER 35 14.928 -1.063 -2.983 275 H MET 36 H MET 36 10.109 -2.441 -4.321 276 HA MET 36 HA MET 36 11.317 -2.573 -6.986 277 HB2 MET 36 2HB MET 36 9.383 -3.958 -7.769 278 HB3 MET 36 1HB MET 36 10.484 -4.798 -6.688 279 HG2 MET 36 2HG MET 36 8.945 -4.455 -4.833 280 HG3 MET 36 1HG MET 36 7.842 -3.588 -5.901 281 HE1 MET 36 3HE MET 36 7.846 -5.171 -8.559 282 HE2 MET 36 1HE MET 36 6.361 -4.695 -7.735 283 HE3 MET 36 2HE MET 36 6.567 -6.356 -8.295 284 H ASN 37 H ASN 37 9.467 -2.045 -8.654 285 HA ASN 37 HA ASN 37 8.270 0.459 -7.707 286 HB2 ASN 37 2HB ASN 37 8.796 -0.594 -10.491 287 HB3 ASN 37 1HB ASN 37 7.871 0.866 -10.178 288 HD21 ASN 37 1HD2 ASN 37 10.669 -0.078 -8.288 289 HD22 ASN 37 2HD2 ASN 37 11.707 1.183 -8.851 290 H MET 38 H MET 38 6.156 0.723 -7.518 291 HA MET 38 HA MET 38 4.451 -1.590 -7.886 292 HB2 MET 38 2HB MET 38 4.290 -0.309 -5.815 293 HB3 MET 38 1HB MET 38 3.900 1.147 -6.720 294 HG2 MET 38 2HG MET 38 1.774 0.351 -7.301 295 HG3 MET 38 1HG MET 38 2.175 -1.303 -6.843 296 HE1 MET 38 3HE MET 38 1.915 2.366 -5.356 297 HE2 MET 38 1HE MET 38 3.359 1.664 -4.627 298 HE3 MET 38 2HE MET 38 1.943 2.002 -3.632 299 HA PRO 39 HA PRO 39 3.334 -0.155 -11.932 300 HB2 PRO 39 2HB PRO 39 1.571 -2.142 -12.494 301 HB3 PRO 39 1HB PRO 39 3.323 -2.367 -12.546 302 HG2 PRO 39 2HG PRO 39 1.383 -3.089 -10.383 303 HG3 PRO 39 1HG PRO 39 2.742 -4.031 -11.027 304 HD2 PRO 39 2HD PRO 39 2.902 -2.643 -8.710 305 HD3 PRO 39 1HD PRO 39 4.297 -2.871 -9.783 306 H GLU 40 H GLU 40 1.667 0.951 -12.886 307 HA GLU 40 HA GLU 40 -0.489 1.733 -11.102 308 HB2 GLU 40 2HB GLU 40 0.820 3.438 -12.369 309 HB3 GLU 40 1HB GLU 40 0.170 2.772 -13.863 310 HG2 GLU 40 2HG GLU 40 -2.077 3.336 -13.170 311 HG3 GLU 40 1HG GLU 40 -1.466 3.937 -11.635 312 H GLY 41 H GLY 41 -2.656 1.441 -11.511 313 HA2 GLY 41 2HA GLY 41 -4.517 0.917 -12.878 314 HA3 GLY 41 1HA GLY 41 -3.437 0.113 -14.004 315 H LYS 42 H LYS 42 -2.211 -1.151 -11.439 316 HA LYS 42 HA LYS 42 -3.986 -3.457 -11.507 317 HB2 LYS 42 2HB LYS 42 -1.158 -3.036 -10.617 318 HB3 LYS 42 1HB LYS 42 -2.040 -4.499 -10.202 319 HG2 LYS 42 2HG LYS 42 -1.526 -3.500 -12.996 320 HG3 LYS 42 1HG LYS 42 -0.651 -4.805 -12.192 321 HD2 LYS 42 2HD LYS 42 -2.710 -6.091 -12.008 322 HD3 LYS 42 1HD LYS 42 -3.613 -4.775 -12.762 323 HE2 LYS 42 2HE LYS 42 -1.363 -6.293 -14.068 324 HE3 LYS 42 1HE LYS 42 -3.077 -6.623 -14.312 325 HZ1 LYS 42 3HZ LYS 42 -1.770 -4.021 -14.914 326 HZ2 LYS 42 1HZ LYS 42 -3.371 -4.463 -15.270 327 HZ3 LYS 42 2HZ LYS 42 -2.080 -5.229 -16.066 328 H VAL 43 H VAL 43 -5.430 -3.765 -10.002 329 HA VAL 43 HA VAL 43 -4.970 -2.574 -7.370 330 HB VAL 43 HB VAL 43 -7.184 -2.163 -8.326 331 HG11 VAL 43 1HG1 VAL 43 -8.832 -3.978 -8.505 332 HG12 VAL 43 2HG1 VAL 43 -7.541 -5.147 -8.226 333 HG13 VAL 43 3HG1 VAL 43 -7.514 -4.130 -9.668 334 HG21 VAL 43 3HG2 VAL 43 -7.204 -3.945 -5.900 335 HG22 VAL 43 1HG2 VAL 43 -8.533 -2.896 -6.396 336 HG23 VAL 43 2HG2 VAL 43 -6.983 -2.195 -5.931 337 H MET 44 H MET 44 -4.229 -3.714 -5.739 338 HA MET 44 HA MET 44 -3.813 -6.591 -6.226 339 HB2 MET 44 2HB MET 44 -2.130 -4.633 -4.651 340 HB3 MET 44 1HB MET 44 -1.807 -6.356 -4.782 341 HG2 MET 44 2HG MET 44 -1.493 -6.142 -7.175 342 HG3 MET 44 1HG MET 44 -1.876 -4.425 -7.086 343 HE1 MET 44 3HE MET 44 -0.339 -2.623 -5.877 344 HE2 MET 44 1HE MET 44 1.146 -3.029 -5.016 345 HE3 MET 44 2HE MET 44 -0.411 -3.570 -4.391 346 H GLU 45 H GLU 45 -3.879 -8.020 -4.415 347 HA GLU 45 HA GLU 45 -5.784 -7.090 -2.405 348 HB2 GLU 45 2HB GLU 45 -6.618 -8.865 -3.797 349 HB3 GLU 45 1HB GLU 45 -5.184 -9.835 -3.501 350 HG2 GLU 45 2HG GLU 45 -5.793 -10.183 -1.241 351 HG3 GLU 45 1HG GLU 45 -7.123 -9.029 -1.357 352 H THR 46 H THR 46 -5.556 -7.579 -0.300 353 HA THR 46 HA THR 46 -2.793 -7.963 0.616 354 HB THR 46 HB THR 46 -3.534 -7.094 2.772 355 HG1 THR 46 1HG THR 46 -5.687 -6.450 3.061 356 HG21 THR 46 3HG2 THR 46 -4.118 -4.806 2.085 357 HG22 THR 46 1HG2 THR 46 -4.476 -5.390 0.460 358 HG23 THR 46 2HG2 THR 46 -2.829 -5.477 1.088 359 H ARG 47 H ARG 47 -2.483 -9.277 2.625 360 HA ARG 47 HA ARG 47 -2.979 -11.845 2.567 361 HB2 ARG 47 2HB ARG 47 -3.038 -10.086 4.998 362 HB3 ARG 47 1HB ARG 47 -3.061 -11.835 5.102 363 HG2 ARG 47 2HG ARG 47 -0.906 -11.907 3.916 364 HG3 ARG 47 1HG ARG 47 -0.881 -10.137 3.919 365 HD2 ARG 47 2HD ARG 47 -0.932 -10.117 6.346 366 HD3 ARG 47 1HD ARG 47 -1.046 -11.874 6.383 367 HE ARG 47 HE ARG 47 1.279 -11.016 4.980 368 HH11 ARG 47 1HH1 ARG 47 -0.055 -11.376 8.201 369 HH12 ARG 47 2HH1 ARG 47 1.490 -11.625 8.954 370 HH21 ARG 47 1HH2 ARG 47 3.317 -11.344 5.977 371 HH22 ARG 47 2HH2 ARG 47 3.398 -11.612 7.697 372 H ASP 48 H ASP 48 -5.397 -9.620 4.012 373 HA ASP 48 HA ASP 48 -6.990 -11.949 4.706 374 HB2 ASP 48 2HB ASP 48 -6.649 -10.219 6.424 375 HB3 ASP 48 1HB ASP 48 -7.472 -9.051 5.395 376 H GLY 49 H GLY 49 -7.145 -9.147 2.599 377 HA2 GLY 49 2HA GLY 49 -8.365 -10.009 0.490 378 HA3 GLY 49 1HA GLY 49 -9.721 -10.134 1.598 379 H THR 50 H THR 50 -7.315 -7.563 1.675 380 HA THR 50 HA THR 50 -9.419 -5.629 1.001 381 HB THR 50 HB THR 50 -6.660 -5.125 2.156 382 HG1 THR 50 1HG THR 50 -9.091 -5.093 3.639 383 HG21 THR 50 3HG2 THR 50 -9.128 -3.385 2.078 384 HG22 THR 50 1HG2 THR 50 -7.687 -3.177 1.084 385 HG23 THR 50 2HG2 THR 50 -7.589 -2.963 2.833 386 H LYS 51 H LYS 51 -8.870 -3.955 -0.612 387 HA LYS 51 HA LYS 51 -6.691 -4.826 -2.391 388 HB2 LYS 51 2HB LYS 51 -9.449 -3.905 -3.182 389 HB3 LYS 51 1HB LYS 51 -8.117 -4.098 -4.313 390 HG2 LYS 51 2HG LYS 51 -7.954 -6.489 -3.546 391 HG3 LYS 51 1HG LYS 51 -9.470 -6.227 -2.684 392 HD2 LYS 51 2HD LYS 51 -10.591 -5.681 -4.764 393 HD3 LYS 51 1HD LYS 51 -9.072 -5.849 -5.649 394 HE2 LYS 51 2HE LYS 51 -8.968 -8.219 -4.894 395 HE3 LYS 51 1HE LYS 51 -10.562 -8.013 -4.173 396 HZ1 LYS 51 3HZ LYS 51 -10.623 -9.047 -6.388 397 HZ2 LYS 51 1HZ LYS 51 -9.956 -7.639 -7.055 398 HZ3 LYS 51 2HZ LYS 51 -11.491 -7.590 -6.331 399 H ILE 52 H ILE 52 -5.434 -3.339 -3.316 400 HA ILE 52 HA ILE 52 -5.982 -0.485 -2.959 401 HB ILE 52 HB ILE 52 -3.655 -0.094 -2.194 402 HG12 ILE 52 2HG1 ILE 52 -3.576 -3.105 -1.854 403 HG13 ILE 52 1HG1 ILE 52 -2.666 -2.187 -3.049 404 HG21 ILE 52 1HG2 ILE 52 -4.006 -0.690 0.118 405 HG22 ILE 52 2HG2 ILE 52 -5.183 -1.917 -0.345 406 HG23 ILE 52 3HG2 ILE 52 -5.544 -0.211 -0.600 407 HD11 ILE 52 3HD1 ILE 52 -1.465 -1.053 -1.247 408 HD12 ILE 52 1HD1 ILE 52 -1.258 -2.803 -1.184 409 HD13 ILE 52 2HD1 ILE 52 -2.359 -2.004 -0.063 410 H ILE 53 H ILE 53 -4.332 0.846 -4.207 411 HA ILE 53 HA ILE 53 -2.818 -0.440 -6.281 412 HB ILE 53 HB ILE 53 -4.859 -0.801 -7.455 413 HG12 ILE 53 2HG1 ILE 53 -3.379 1.620 -8.466 414 HG13 ILE 53 1HG1 ILE 53 -3.247 -0.049 -9.000 415 HG21 ILE 53 1HG2 ILE 53 -5.560 2.081 -6.909 416 HG22 ILE 53 2HG2 ILE 53 -6.307 0.666 -6.168 417 HG23 ILE 53 3HG2 ILE 53 -6.503 0.963 -7.897 418 HD11 ILE 53 3HD1 ILE 53 -5.423 0.082 -10.041 419 HD12 ILE 53 1HD1 ILE 53 -4.383 1.384 -10.624 420 HD13 ILE 53 2HD1 ILE 53 -5.636 1.723 -9.431 421 H MET 54 H MET 54 -1.638 1.051 -7.611 422 HA MET 54 HA MET 54 -1.482 3.764 -6.464 423 HB2 MET 54 2HB MET 54 0.588 2.272 -6.437 424 HB3 MET 54 1HB MET 54 0.581 2.363 -8.191 425 HG2 MET 54 2HG MET 54 0.718 4.795 -6.437 426 HG3 MET 54 1HG MET 54 2.146 3.919 -6.975 427 HE1 MET 54 3HE MET 54 2.003 4.400 -10.852 428 HE2 MET 54 1HE MET 54 1.334 3.050 -9.934 429 HE3 MET 54 2HE MET 54 2.906 3.723 -9.497 430 H LYS 55 H LYS 55 -2.467 5.246 -7.652 431 HA LYS 55 HA LYS 55 -2.380 5.008 -10.575 432 HB2 LYS 55 2HB LYS 55 -4.631 4.312 -9.464 433 HB3 LYS 55 1HB LYS 55 -4.841 6.035 -9.194 434 HG2 LYS 55 2HG LYS 55 -5.979 5.564 -11.192 435 HG3 LYS 55 1HG LYS 55 -4.465 6.326 -11.685 436 HD2 LYS 55 2HD LYS 55 -3.500 4.109 -12.112 437 HD3 LYS 55 1HD LYS 55 -5.022 3.359 -11.637 438 HE2 LYS 55 2HE LYS 55 -4.987 3.414 -14.011 439 HE3 LYS 55 1HE LYS 55 -6.121 4.656 -13.488 440 HZ1 LYS 55 3HZ LYS 55 -3.300 5.166 -14.284 441 HZ2 LYS 55 1HZ LYS 55 -4.463 6.336 -13.884 442 HZ3 LYS 55 2HZ LYS 55 -4.648 5.394 -15.284 443 H GLY 56 H GLY 56 -1.613 6.810 -11.476 444 HA2 GLY 56 2HA GLY 56 -1.067 9.024 -11.775 445 HA3 GLY 56 1HA GLY 56 -2.313 9.424 -10.600 446 H ASN 57 H ASN 57 0.501 7.382 -10.089 447 HA ASN 57 HA ASN 57 2.258 7.487 -8.667 448 HB2 ASN 57 2HB ASN 57 2.759 9.509 -10.077 449 HB3 ASN 57 1HB ASN 57 1.972 10.493 -8.847 450 HD21 ASN 57 1HD2 ASN 57 3.799 7.675 -7.988 451 HD22 ASN 57 2HD2 ASN 57 5.147 8.510 -7.294 452 H GLU 58 H GLU 58 -0.451 7.416 -7.658 453 HA GLU 58 HA GLU 58 0.111 8.201 -4.902 454 HB2 GLU 58 2HB GLU 58 -2.408 8.938 -6.389 455 HB3 GLU 58 1HB GLU 58 -2.258 8.987 -4.639 456 HG2 GLU 58 2HG GLU 58 -0.353 10.576 -4.931 457 HG3 GLU 58 1HG GLU 58 -0.747 10.635 -6.647 458 H ILE 59 H ILE 59 -1.335 7.124 -3.358 459 HA ILE 59 HA ILE 59 -1.944 4.446 -4.363 460 HB ILE 59 HB ILE 59 -0.588 5.404 -2.026 461 HG12 ILE 59 2HG1 ILE 59 0.093 3.577 -3.598 462 HG13 ILE 59 1HG1 ILE 59 0.221 3.158 -1.894 463 HG21 ILE 59 1HG2 ILE 59 -1.586 3.992 -0.303 464 HG22 ILE 59 2HG2 ILE 59 -2.896 3.570 -1.406 465 HG23 ILE 59 3HG2 ILE 59 -2.708 5.235 -0.856 466 HD11 ILE 59 3HD1 ILE 59 -1.875 1.917 -2.048 467 HD12 ILE 59 1HD1 ILE 59 -0.670 1.313 -3.184 468 HD13 ILE 59 2HD1 ILE 59 -1.993 2.330 -3.760 469 H PHE 60 H PHE 60 -3.971 3.885 -4.626 470 HA PHE 60 HA PHE 60 -6.131 5.059 -3.078 471 HB2 PHE 60 2HB PHE 60 -7.074 4.459 -5.064 472 HB3 PHE 60 1HB PHE 60 -5.848 3.252 -5.400 473 HD1 PHE 60 1HD PHE 60 -6.137 0.933 -4.373 474 HD2 PHE 60 2HD PHE 60 -9.196 3.880 -4.307 475 HE1 PHE 60 1HE PHE 60 -7.807 -0.797 -3.823 476 HE2 PHE 60 2HE PHE 60 -10.859 2.167 -3.771 477 HZ PHE 60 HZ PHE 60 -10.114 -0.317 -3.855 478 H ARG 61 H ARG 61 -6.223 4.547 -1.047 479 HA ARG 61 HA ARG 61 -5.549 1.790 -0.288 480 HB2 ARG 61 2HB ARG 61 -4.052 3.629 0.649 481 HB3 ARG 61 1HB ARG 61 -5.451 4.221 1.527 482 HG2 ARG 61 2HG ARG 61 -4.560 1.389 1.844 483 HG3 ARG 61 1HG ARG 61 -3.742 2.687 2.709 484 HD2 ARG 61 2HD ARG 61 -6.707 2.141 2.830 485 HD3 ARG 61 1HD ARG 61 -5.536 1.578 4.022 486 HE ARG 61 HE ARG 61 -6.006 4.438 3.463 487 HH11 ARG 61 1HH1 ARG 61 -5.507 1.788 5.686 488 HH12 ARG 61 2HH1 ARG 61 -5.544 2.792 7.108 489 HH21 ARG 61 1HH2 ARG 61 -6.055 5.779 5.326 490 HH22 ARG 61 2HH2 ARG 61 -5.851 5.075 6.901 491 H LEU 62 H LEU 62 -7.349 0.744 0.047 492 HA LEU 62 HA LEU 62 -9.634 0.335 -0.029 493 HB2 LEU 62 2HB LEU 62 -9.244 2.200 2.257 494 HB3 LEU 62 1HB LEU 62 -10.879 1.786 1.780 495 HG LEU 62 HG LEU 62 -10.229 0.363 3.562 496 HD11 LEU 62 1HD1 LEU 62 -10.144 -1.120 0.939 497 HD12 LEU 62 2HD1 LEU 62 -11.595 -0.606 1.795 498 HD13 LEU 62 3HD1 LEU 62 -10.535 -1.826 2.510 499 HD21 LEU 62 3HD2 LEU 62 -7.815 0.529 3.386 500 HD22 LEU 62 1HD2 LEU 62 -7.840 -0.396 1.885 501 HD23 LEU 62 2HD2 LEU 62 -8.304 -1.165 3.401 502 H ASP 63 H ASP 63 -8.814 3.724 -0.142 503 HA ASP 63 HA ASP 63 -9.682 5.518 -1.189 504 HB2 ASP 63 2HB ASP 63 -10.425 4.667 -3.174 505 HB3 ASP 63 1HB ASP 63 -11.404 3.431 -2.388 506 H GLU 64 H GLU 64 -12.288 3.490 -0.008 507 HA GLU 64 HA GLU 64 -13.748 5.618 1.141 508 HB2 GLU 64 2HB GLU 64 -15.019 3.795 2.300 509 HB3 GLU 64 1HB GLU 64 -14.917 3.620 0.556 510 HG2 GLU 64 2HG GLU 64 -14.438 1.496 1.110 511 HG3 GLU 64 1HG GLU 64 -12.807 2.150 1.236 512 H ALA 65 H ALA 65 -11.008 3.865 2.224 513 HA ALA 65 HA ALA 65 -11.285 4.226 5.019 514 HB1 ALA 65 1HB ALA 65 -9.622 2.746 3.715 515 HB2 ALA 65 2HB ALA 65 -9.084 3.506 5.213 516 HB3 ALA 65 3HB ALA 65 -8.620 4.196 3.656 517 H LEU 66 H LEU 66 -10.254 6.237 2.430 518 HA LEU 66 HA LEU 66 -9.238 8.296 4.226 519 HB2 LEU 66 2HB LEU 66 -9.463 8.286 1.217 520 HB3 LEU 66 1HB LEU 66 -8.591 9.461 2.187 521 HG LEU 66 HG LEU 66 -7.636 6.828 2.809 522 HD11 LEU 66 1HD1 LEU 66 -7.621 7.553 -0.116 523 HD12 LEU 66 2HD1 LEU 66 -8.402 6.150 0.623 524 HD13 LEU 66 3HD1 LEU 66 -6.643 6.285 0.621 525 HD21 LEU 66 3HD2 LEU 66 -5.494 7.820 2.111 526 HD22 LEU 66 1HD2 LEU 66 -6.394 8.871 3.206 527 HD23 LEU 66 2HD2 LEU 66 -6.366 9.216 1.476 528 H ARG 67 H ARG 67 -11.946 7.633 2.118 529 HA ARG 67 HA ARG 67 -13.172 10.197 2.224 530 HB2 ARG 67 2HB ARG 67 -14.683 7.606 1.993 531 HB3 ARG 67 1HB ARG 67 -15.085 9.164 1.295 532 HG2 ARG 67 2HG ARG 67 -12.674 7.615 0.443 533 HG3 ARG 67 1HG ARG 67 -14.275 7.353 -0.253 534 HD2 ARG 67 2HD ARG 67 -14.373 9.566 -1.074 535 HD3 ARG 67 1HD ARG 67 -12.980 10.059 -0.117 536 HE ARG 67 HE ARG 67 -12.584 8.025 -2.194 537 HH11 ARG 67 1HH1 ARG 67 -12.150 11.309 -1.051 538 HH12 ARG 67 2HH1 ARG 67 -10.929 11.699 -2.230 539 HH21 ARG 67 1HH2 ARG 67 -10.988 8.517 -3.747 540 HH22 ARG 67 2HH2 ARG 67 -10.267 10.101 -3.776 541 H LYS 68 H LYS 68 -13.975 7.155 3.815 542 HA LYS 68 HA LYS 68 -16.039 8.518 5.334 543 HB2 LYS 68 2HB LYS 68 -15.504 5.560 5.320 544 HB3 LYS 68 1HB LYS 68 -17.030 6.399 5.569 545 HG2 LYS 68 2HG LYS 68 -15.538 6.309 2.934 546 HG3 LYS 68 1HG LYS 68 -16.870 5.234 3.380 547 HD2 LYS 68 2HD LYS 68 -18.359 7.158 3.581 548 HD3 LYS 68 1HD LYS 68 -17.023 8.239 3.177 549 HE2 LYS 68 2HE LYS 68 -16.798 7.101 0.999 550 HE3 LYS 68 1HE LYS 68 -18.185 6.091 1.404 551 HZ1 LYS 68 3HZ LYS 68 -18.818 7.942 -0.003 552 HZ2 LYS 68 1HZ LYS 68 -18.220 9.049 1.135 553 HZ3 LYS 68 2HZ LYS 68 -19.555 8.075 1.520 554 H GLY 69 H GLY 69 -16.109 8.625 7.529 555 HA2 GLY 69 2HA GLY 69 -15.449 8.213 9.732 556 HA3 GLY 69 1HA GLY 69 -14.119 7.234 9.133 557 H HIS 70 H HIS 70 -14.274 10.166 7.515 558 HA HIS 70 HA HIS 70 -12.342 11.384 9.380 559 HB2 HIS 70 2HB HIS 70 -12.337 11.503 6.354 560 HB3 HIS 70 1HB HIS 70 -11.293 12.477 7.384 561 HD1 HIS 70 1HD HIS 70 -9.102 11.454 8.043 562 HD2 HIS 70 2HD HIS 70 -11.814 8.639 6.606 563 HE1 HIS 70 1HE HIS 70 -7.826 9.290 7.884 564 HE2 HIS 70 2HE HIS 70 -9.493 7.598 7.037 565 H SER 71 H SER 71 -13.764 12.716 6.440 566 HA SER 71 HA SER 71 -15.025 14.552 6.035 567 HB2 SER 71 2HB SER 71 -16.284 13.809 8.688 568 HB3 SER 71 1HB SER 71 -17.000 14.851 7.458 569 HG SER 71 HG SER 71 -16.607 12.879 6.041 570 H GLU 72 H GLU 72 -16.169 16.349 8.073 571 HA GLU 72 HA GLU 72 -13.911 17.387 9.548 572 HB2 GLU 72 2HB GLU 72 -13.563 18.377 7.321 573 HB3 GLU 72 1HB GLU 72 -15.199 19.023 7.352 574 HG2 GLU 72 2HG GLU 72 -13.629 20.766 7.869 575 HG3 GLU 72 1HG GLU 72 -14.599 20.403 9.294 576 H GLY 73 H GLY 73 -16.865 18.900 8.285 577 HA2 GLY 73 2HA GLY 73 -18.156 18.623 10.884 578 HA3 GLY 73 1HA GLY 73 -17.819 20.261 10.346 579 H GLY 74 H GLY 74 -18.572 17.769 8.055 580 HA2 GLY 74 2HA GLY 74 -21.341 17.986 7.921 581 HA3 GLY 74 1HA GLY 74 -20.675 19.257 6.902 Start of MODEL 13 1 H1 VAL 1 1HT VAL 1 11.358 -2.874 4.738 2 H2 VAL 1 2HT VAL 1 11.787 -2.331 6.282 3 H3 VAL 1 3HT VAL 1 12.152 -1.388 4.922 4 HA VAL 1 HA VAL 1 9.801 -1.074 4.471 5 HB VAL 1 HB VAL 1 9.381 -2.452 7.134 6 HG11 VAL 1 2HG1 VAL 1 6.993 -2.167 6.627 7 HG12 VAL 1 3HG1 VAL 1 7.423 -1.268 5.171 8 HG13 VAL 1 1HG1 VAL 1 7.833 -0.621 6.758 9 HG21 VAL 1 1HG2 VAL 1 8.197 -4.181 5.870 10 HG22 VAL 1 2HG2 VAL 1 9.891 -4.083 5.391 11 HG23 VAL 1 3HG2 VAL 1 8.641 -3.384 4.359 12 H ASP 2 H ASP 2 11.036 -1.166 7.797 13 HA ASP 2 HA ASP 2 11.274 0.370 9.421 14 HB2 ASP 2 2HB ASP 2 12.630 1.704 7.950 15 HB3 ASP 2 1HB ASP 2 11.204 2.360 7.148 16 H MET 3 H MET 3 9.612 0.272 10.693 17 HA MET 3 HA MET 3 6.977 1.098 9.833 18 HB2 MET 3 2HB MET 3 8.032 -0.093 12.389 19 HB3 MET 3 1HB MET 3 6.344 0.345 12.159 20 HG2 MET 3 2HG MET 3 7.865 -1.585 10.426 21 HG3 MET 3 1HG MET 3 6.810 -2.042 11.764 22 HE1 MET 3 3HE MET 3 6.772 -2.705 8.460 23 HE2 MET 3 1HE MET 3 5.030 -2.898 8.265 24 HE3 MET 3 2HE MET 3 5.846 -3.603 9.662 25 H SER 4 H SER 4 9.391 2.964 10.551 26 HA SER 4 HA SER 4 8.240 4.501 12.742 27 HB2 SER 4 2HB SER 4 10.775 5.150 11.248 28 HB3 SER 4 1HB SER 4 10.339 5.570 12.905 29 HG SER 4 HG SER 4 11.511 3.306 11.920 30 H ASN 5 H ASN 5 8.928 4.754 9.301 31 HA ASN 5 HA ASN 5 7.781 7.461 9.299 32 HB2 ASN 5 2HB ASN 5 9.757 7.834 8.290 33 HB3 ASN 5 1HB ASN 5 9.948 6.163 7.770 34 HD21 ASN 5 1HD2 ASN 5 9.008 5.515 5.808 35 HD22 ASN 5 2HD2 ASN 5 8.591 6.683 4.594 36 H VAL 6 H VAL 6 6.957 4.334 8.618 37 HA VAL 6 HA VAL 6 5.189 5.067 6.417 38 HB VAL 6 HB VAL 6 6.563 2.922 6.472 39 HG11 VAL 6 1HG1 VAL 6 5.583 1.001 7.598 40 HG12 VAL 6 2HG1 VAL 6 4.362 2.042 8.332 41 HG13 VAL 6 3HG1 VAL 6 6.063 2.242 8.757 42 HG21 VAL 6 3HG2 VAL 6 4.725 1.609 5.431 43 HG22 VAL 6 1HG2 VAL 6 4.906 3.254 4.813 44 HG23 VAL 6 2HG2 VAL 6 3.607 2.873 5.947 45 H VAL 7 H VAL 7 2.942 5.144 6.572 46 HA VAL 7 HA VAL 7 1.887 5.130 9.306 47 HB VAL 7 HB VAL 7 -0.194 6.108 8.332 48 HG11 VAL 7 1HG1 VAL 7 1.498 7.525 9.324 49 HG12 VAL 7 2HG1 VAL 7 0.743 8.328 7.946 50 HG13 VAL 7 3HG1 VAL 7 2.348 7.617 7.781 51 HG21 VAL 7 3HG2 VAL 7 -0.240 6.959 6.091 52 HG22 VAL 7 1HG2 VAL 7 0.117 5.233 6.023 53 HG23 VAL 7 2HG2 VAL 7 1.414 6.415 5.800 54 H LYS 8 H LYS 8 1.762 3.311 6.371 55 HA LYS 8 HA LYS 8 0.427 1.187 7.767 56 HB2 LYS 8 2HB LYS 8 -1.419 2.684 6.863 57 HB3 LYS 8 1HB LYS 8 -0.906 2.190 5.259 58 HG2 LYS 8 2HG LYS 8 -2.734 0.814 5.842 59 HG3 LYS 8 1HG LYS 8 -1.286 -0.188 6.000 60 HD2 LYS 8 2HD LYS 8 -1.288 0.097 8.389 61 HD3 LYS 8 1HD LYS 8 -2.613 1.256 8.293 62 HE2 LYS 8 2HE LYS 8 -4.040 -0.553 7.349 63 HE3 LYS 8 1HE LYS 8 -2.719 -1.686 7.640 64 HZ1 LYS 8 3HZ LYS 8 -4.361 -1.707 9.427 65 HZ2 LYS 8 1HZ LYS 8 -4.072 -0.062 9.729 66 HZ3 LYS 8 2HZ LYS 8 -2.845 -1.204 9.990 67 H THR 9 H THR 9 0.986 -0.711 7.018 68 HA THR 9 HA THR 9 2.362 -0.849 4.428 69 HB THR 9 HB THR 9 3.125 -2.088 7.052 70 HG1 THR 9 1HG THR 9 4.500 -0.519 6.831 71 HG21 THR 9 3HG2 THR 9 3.080 -3.948 5.463 72 HG22 THR 9 1HG2 THR 9 4.738 -3.515 5.880 73 HG23 THR 9 2HG2 THR 9 4.058 -3.007 4.335 74 H TYR 10 H TYR 10 1.779 -2.437 3.098 75 HA TYR 10 HA TYR 10 -0.354 -4.231 4.006 76 HB2 TYR 10 2HB TYR 10 -0.113 -2.611 1.515 77 HB3 TYR 10 1HB TYR 10 -1.010 -4.130 1.487 78 HD1 TYR 10 2HD TYR 10 -2.710 -4.436 3.424 79 HD2 TYR 10 1HD TYR 10 -1.256 -0.674 2.098 80 HE1 TYR 10 2HE TYR 10 -4.657 -3.354 4.422 81 HE2 TYR 10 1HE TYR 10 -3.211 0.439 3.096 82 HH TYR 10 HH TYR 10 -5.480 -1.281 5.123 83 H ASP 11 H ASP 11 -0.234 -6.228 3.659 84 HA ASP 11 HA ASP 11 2.068 -7.210 2.130 85 HB2 ASP 11 2HB ASP 11 1.903 -7.915 4.530 86 HB3 ASP 11 1HB ASP 11 0.412 -8.749 4.128 87 H LEU 12 H LEU 12 1.761 -8.240 0.393 88 HA LEU 12 HA LEU 12 -0.776 -8.064 -0.897 89 HB2 LEU 12 2HB LEU 12 1.860 -9.208 -1.800 90 HB3 LEU 12 1HB LEU 12 0.441 -9.117 -2.831 91 HG LEU 12 HG LEU 12 2.194 -6.912 -1.833 92 HD11 LEU 12 1HD1 LEU 12 0.882 -7.414 -4.493 93 HD12 LEU 12 2HD1 LEU 12 2.502 -7.949 -4.058 94 HD13 LEU 12 3HD1 LEU 12 2.132 -6.226 -4.129 95 HD21 LEU 12 3HD2 LEU 12 0.525 -5.248 -2.422 96 HD22 LEU 12 1HD2 LEU 12 -0.068 -6.278 -1.118 97 HD23 LEU 12 2HD2 LEU 12 -0.651 -6.519 -2.766 98 H GLN 13 H GLN 13 0.441 -10.426 1.106 99 HA GLN 13 HA GLN 13 -0.824 -12.197 1.913 100 HB2 GLN 13 2HB GLN 13 -2.834 -11.406 0.682 101 HB3 GLN 13 1HB GLN 13 -2.232 -12.200 -0.765 102 HG2 GLN 13 2HG GLN 13 -2.311 -14.357 0.513 103 HG3 GLN 13 1HG GLN 13 -3.152 -13.478 1.788 104 HE21 GLN 13 1HE2 GLN 13 -4.532 -11.765 -0.174 105 HE22 GLN 13 2HE2 GLN 13 -5.763 -12.750 -0.886 106 H ASP 14 H ASP 14 0.721 -11.930 -1.126 107 HA ASP 14 HA ASP 14 1.513 -14.738 -1.153 108 HB2 ASP 14 2HB ASP 14 0.838 -13.659 -3.293 109 HB3 ASP 14 1HB ASP 14 2.171 -12.522 -3.117 110 H GLY 15 H GLY 15 2.571 -11.618 -0.240 111 HA2 GLY 15 2HA GLY 15 4.386 -12.037 1.536 112 HA3 GLY 15 1HA GLY 15 5.311 -12.579 0.154 113 H SER 16 H SER 16 4.137 -10.450 -1.580 114 HA SER 16 HA SER 16 6.228 -8.597 -1.156 115 HB2 SER 16 2HB SER 16 3.804 -8.075 -2.859 116 HB3 SER 16 1HB SER 16 5.445 -7.484 -3.087 117 HG SER 16 HG SER 16 4.483 -9.505 -4.291 118 H LYS 17 H LYS 17 6.083 -6.363 -0.618 119 HA LYS 17 HA LYS 17 3.824 -5.822 1.190 120 HB2 LYS 17 2HB LYS 17 6.687 -5.034 1.715 121 HB3 LYS 17 1HB LYS 17 5.331 -4.983 2.839 122 HG2 LYS 17 2HG LYS 17 5.205 -7.478 2.654 123 HG3 LYS 17 1HG LYS 17 6.711 -7.416 1.733 124 HD2 LYS 17 2HD LYS 17 7.834 -6.367 3.624 125 HD3 LYS 17 1HD LYS 17 6.327 -6.404 4.547 126 HE2 LYS 17 2HE LYS 17 7.865 -8.781 3.511 127 HE3 LYS 17 1HE LYS 17 7.750 -8.261 5.193 128 HZ1 LYS 17 3HZ LYS 17 5.415 -8.760 5.190 129 HZ2 LYS 17 1HZ LYS 17 6.264 -10.121 4.644 130 HZ3 LYS 17 2HZ LYS 17 5.441 -9.137 3.540 131 H VAL 18 H VAL 18 2.814 -3.988 0.831 132 HA VAL 18 HA VAL 18 4.147 -1.854 -0.710 133 HB VAL 18 HB VAL 18 1.212 -2.389 -0.171 134 HG11 VAL 18 1HG1 VAL 18 0.761 -0.523 -1.725 135 HG12 VAL 18 2HG1 VAL 18 2.487 -0.161 -1.767 136 HG13 VAL 18 3HG1 VAL 18 1.586 0.014 -0.262 137 HG21 VAL 18 3HG2 VAL 18 1.113 -2.731 -2.629 138 HG22 VAL 18 1HG2 VAL 18 2.123 -3.914 -1.800 139 HG23 VAL 18 2HG2 VAL 18 2.869 -2.584 -2.685 140 H HIS 19 H HIS 19 4.276 0.233 0.187 141 HA HIS 19 HA HIS 19 3.274 0.465 2.943 142 HB2 HIS 19 2HB HIS 19 5.895 1.653 2.073 143 HB3 HIS 19 1HB HIS 19 5.287 1.432 3.700 144 HD1 HIS 19 1HD HIS 19 4.577 -1.664 3.256 145 HD2 HIS 19 2HD HIS 19 8.179 0.218 2.493 146 HE1 HIS 19 1HE HIS 19 6.301 -3.494 3.238 147 HE2 HIS 19 2HE HIS 19 8.475 -2.346 2.658 148 H VAL 20 H VAL 20 2.125 2.226 3.283 149 HA VAL 20 HA VAL 20 2.425 4.474 1.414 150 HB VAL 20 HB VAL 20 0.278 4.065 3.516 151 HG11 VAL 20 1HG1 VAL 20 0.720 6.424 2.996 152 HG12 VAL 20 2HG1 VAL 20 -0.858 5.923 2.388 153 HG13 VAL 20 3HG1 VAL 20 0.501 6.087 1.276 154 HG21 VAL 20 3HG2 VAL 20 0.114 2.402 1.712 155 HG22 VAL 20 1HG2 VAL 20 0.116 3.704 0.519 156 HG23 VAL 20 2HG2 VAL 20 -1.222 3.553 1.658 157 H PHE 21 H PHE 21 3.792 5.973 2.065 158 HA PHE 21 HA PHE 21 4.804 5.727 4.786 159 HB2 PHE 21 2HB PHE 21 5.896 7.165 2.357 160 HB3 PHE 21 1HB PHE 21 6.697 7.102 3.921 161 HD1 PHE 21 2HD PHE 21 7.212 4.730 4.857 162 HD2 PHE 21 1HD PHE 21 6.351 5.499 0.745 163 HE1 PHE 21 2HE PHE 21 8.365 2.664 4.228 164 HE2 PHE 21 1HE PHE 21 7.514 3.438 0.129 165 HZ PHE 21 HZ PHE 21 8.522 2.016 1.864 166 H LYS 22 H LYS 22 5.444 7.748 5.947 167 HA LYS 22 HA LYS 22 3.186 9.437 6.292 168 HB2 LYS 22 2HB LYS 22 6.010 9.483 7.355 169 HB3 LYS 22 1HB LYS 22 4.866 10.762 7.744 170 HG2 LYS 22 2HG LYS 22 3.457 9.276 8.911 171 HG3 LYS 22 1HG LYS 22 4.287 7.863 8.264 172 HD2 LYS 22 2HD LYS 22 4.900 8.287 10.601 173 HD3 LYS 22 1HD LYS 22 6.287 8.435 9.523 174 HE2 LYS 22 2HE LYS 22 6.279 10.210 11.182 175 HE3 LYS 22 1HE LYS 22 6.062 10.865 9.560 176 HZ1 LYS 22 3HZ LYS 22 3.806 10.312 11.410 177 HZ2 LYS 22 1HZ LYS 22 3.757 11.185 9.956 178 HZ3 LYS 22 2HZ LYS 22 4.568 11.823 11.301 179 H ASP 23 H ASP 23 5.923 9.550 4.278 180 HA ASP 23 HA ASP 23 5.999 12.360 3.787 181 HB2 ASP 23 2HB ASP 23 8.022 11.049 3.515 182 HB3 ASP 23 1HB ASP 23 7.214 9.973 2.383 183 H GLY 24 H GLY 24 4.068 9.793 2.970 184 HA2 GLY 24 2HA GLY 24 2.108 9.952 1.779 185 HA3 GLY 24 1HA GLY 24 2.750 11.349 0.955 186 H LYS 25 H LYS 25 5.257 9.368 0.680 187 HA LYS 25 HA LYS 25 4.547 8.453 -1.927 188 HB2 LYS 25 2HB LYS 25 6.984 8.259 -0.214 189 HB3 LYS 25 1HB LYS 25 6.823 7.219 -1.623 190 HG2 LYS 25 2HG LYS 25 6.386 9.338 -2.939 191 HG3 LYS 25 1HG LYS 25 6.957 10.198 -1.514 192 HD2 LYS 25 2HD LYS 25 8.491 8.090 -3.008 193 HD3 LYS 25 1HD LYS 25 8.743 9.828 -3.164 194 HE2 LYS 25 2HE LYS 25 8.988 8.356 -0.550 195 HE3 LYS 25 1HE LYS 25 10.349 8.594 -1.644 196 HZ1 LYS 25 3HZ LYS 25 10.356 10.297 0.020 197 HZ2 LYS 25 1HZ LYS 25 8.746 10.722 -0.318 198 HZ3 LYS 25 2HZ LYS 25 9.961 11.008 -1.466 199 H MET 26 H MET 26 5.137 6.198 -2.506 200 HA MET 26 HA MET 26 4.333 4.254 -0.482 201 HB2 MET 26 2HB MET 26 3.276 4.559 -3.275 202 HB3 MET 26 1HB MET 26 3.282 2.990 -2.481 203 HG2 MET 26 2HG MET 26 1.152 3.869 -2.113 204 HG3 MET 26 1HG MET 26 2.019 4.086 -0.598 205 HE1 MET 26 3HE MET 26 2.373 6.178 -3.888 206 HE2 MET 26 1HE MET 26 1.257 7.511 -3.592 207 HE3 MET 26 2HE MET 26 0.634 5.877 -3.826 208 H GLY 27 H GLY 27 5.463 2.406 -0.466 209 HA2 GLY 27 2HA GLY 27 7.478 2.046 -2.584 210 HA3 GLY 27 1HA GLY 27 7.899 1.905 -0.885 211 H MET 28 H MET 28 7.829 -0.028 -3.238 212 HA MET 28 HA MET 28 6.120 -2.054 -1.973 213 HB2 MET 28 2HB MET 28 5.349 -1.334 -4.213 214 HB3 MET 28 1HB MET 28 6.889 -1.847 -4.887 215 HG2 MET 28 2HG MET 28 6.425 -4.144 -4.248 216 HG3 MET 28 1HG MET 28 4.902 -3.644 -3.515 217 HE1 MET 28 3HE MET 28 3.775 -5.642 -6.701 218 HE2 MET 28 1HE MET 28 3.619 -5.494 -4.949 219 HE3 MET 28 2HE MET 28 5.159 -5.979 -5.660 220 H GLU 29 H GLU 29 6.983 -3.891 -1.385 221 HA GLU 29 HA GLU 29 9.733 -4.542 -2.232 222 HB2 GLU 29 2HB GLU 29 8.418 -4.801 0.472 223 HB3 GLU 29 1HB GLU 29 9.781 -5.822 0.026 224 HG2 GLU 29 2HG GLU 29 11.196 -3.933 -0.247 225 HG3 GLU 29 1HG GLU 29 9.847 -2.818 -0.025 226 H ASN 30 H ASN 30 10.105 -6.753 -2.658 227 HA ASN 30 HA ASN 30 7.697 -8.264 -3.236 228 HB2 ASN 30 2HB ASN 30 9.254 -9.933 -4.226 229 HB3 ASN 30 1HB ASN 30 9.434 -8.327 -4.922 230 HD21 ASN 30 1HD2 ASN 30 11.482 -9.272 -5.609 231 HD22 ASN 30 2HD2 ASN 30 12.835 -9.207 -4.537 232 H LYS 31 H LYS 31 7.595 -10.590 -2.579 233 HA LYS 31 HA LYS 31 7.859 -11.086 0.113 234 HB2 LYS 31 2HB LYS 31 7.642 -13.494 -0.513 235 HB3 LYS 31 1HB LYS 31 6.425 -12.433 -1.206 236 HG2 LYS 31 2HG LYS 31 7.822 -12.389 -3.298 237 HG3 LYS 31 1HG LYS 31 8.780 -13.687 -2.579 238 HD2 LYS 31 2HD LYS 31 6.821 -15.093 -2.409 239 HD3 LYS 31 1HD LYS 31 5.797 -13.782 -3.000 240 HE2 LYS 31 2HE LYS 31 7.150 -13.810 -5.113 241 HE3 LYS 31 1HE LYS 31 7.933 -15.272 -4.511 242 HZ1 LYS 31 3HZ LYS 31 5.769 -16.347 -4.416 243 HZ2 LYS 31 1HZ LYS 31 6.099 -15.802 -5.987 244 HZ3 LYS 31 2HZ LYS 31 5.021 -14.943 -4.995 245 H PHE 32 H PHE 32 10.484 -10.510 -1.710 246 HA PHE 32 HA PHE 32 12.171 -12.424 -0.266 247 HB2 PHE 32 2HB PHE 32 12.821 -10.738 -2.702 248 HB3 PHE 32 1HB PHE 32 13.927 -11.857 -1.912 249 HD1 PHE 32 1HD PHE 32 13.578 -14.274 -2.088 250 HD2 PHE 32 2HD PHE 32 11.071 -11.516 -4.140 251 HE1 PHE 32 1HE PHE 32 12.763 -16.096 -3.529 252 HE2 PHE 32 2HE PHE 32 10.250 -13.331 -5.582 253 HZ PHE 32 HZ PHE 32 11.066 -15.636 -5.250 254 H GLY 33 H GLY 33 10.963 -9.338 -0.133 255 HA2 GLY 33 2HA GLY 33 11.316 -7.876 1.598 256 HA3 GLY 33 1HA GLY 33 12.758 -8.767 2.022 257 H LYS 34 H LYS 34 12.344 -7.573 -1.227 258 HA LYS 34 HA LYS 34 14.094 -5.326 -0.518 259 HB2 LYS 34 2HB LYS 34 15.471 -5.654 -2.458 260 HB3 LYS 34 1HB LYS 34 15.437 -7.133 -1.519 261 HG2 LYS 34 2HG LYS 34 15.262 -7.947 -3.643 262 HG3 LYS 34 1HG LYS 34 13.560 -7.815 -3.202 263 HD2 LYS 34 2HD LYS 34 13.272 -5.860 -4.479 264 HD3 LYS 34 1HD LYS 34 15.010 -5.590 -4.609 265 HE2 LYS 34 2HE LYS 34 13.524 -7.899 -5.853 266 HE3 LYS 34 1HE LYS 34 13.978 -6.419 -6.699 267 HZ1 LYS 34 3HZ LYS 34 15.807 -8.443 -5.521 268 HZ2 LYS 34 1HZ LYS 34 16.321 -6.936 -6.106 269 HZ3 LYS 34 2HZ LYS 34 15.615 -8.055 -7.162 270 H SER 35 H SER 35 14.160 -3.610 -2.081 271 HA SER 35 HA SER 35 11.455 -2.804 -2.569 272 HB2 SER 35 2HB SER 35 12.631 -0.669 -3.363 273 HB3 SER 35 1HB SER 35 12.848 -1.133 -1.675 274 HG SER 35 HG SER 35 14.854 -0.644 -2.439 275 H MET 36 H MET 36 10.357 -2.835 -4.402 276 HA MET 36 HA MET 36 11.817 -3.403 -6.901 277 HB2 MET 36 2HB MET 36 9.909 -4.871 -7.555 278 HB3 MET 36 1HB MET 36 10.829 -5.479 -6.185 279 HG2 MET 36 2HG MET 36 9.136 -4.761 -4.653 280 HG3 MET 36 1HG MET 36 8.250 -3.951 -5.944 281 HE1 MET 36 3HE MET 36 6.878 -5.155 -7.790 282 HE2 MET 36 1HE MET 36 6.885 -6.900 -8.056 283 HE3 MET 36 2HE MET 36 8.352 -5.962 -8.331 284 H ASN 37 H ASN 37 9.932 -3.301 -8.744 285 HA ASN 37 HA ASN 37 9.130 -0.521 -8.740 286 HB2 ASN 37 2HB ASN 37 8.833 -2.705 -10.812 287 HB3 ASN 37 1HB ASN 37 8.315 -1.044 -11.058 288 HD21 ASN 37 1HD2 ASN 37 11.017 -3.192 -10.762 289 HD22 ASN 37 2HD2 ASN 37 12.218 -2.092 -11.349 290 H MET 38 H MET 38 7.132 0.247 -8.411 291 HA MET 38 HA MET 38 5.046 -1.669 -7.689 292 HB2 MET 38 2HB MET 38 5.614 0.062 -6.035 293 HB3 MET 38 1HB MET 38 5.218 1.313 -7.205 294 HG2 MET 38 2HG MET 38 2.901 0.589 -7.231 295 HG3 MET 38 1HG MET 38 3.285 -0.715 -6.111 296 HE1 MET 38 3HE MET 38 1.342 0.057 -4.471 297 HE2 MET 38 1HE MET 38 0.924 1.336 -5.610 298 HE3 MET 38 2HE MET 38 1.148 1.715 -3.901 299 HA PRO 39 HA PRO 39 3.080 -0.872 -11.605 300 HB2 PRO 39 2HB PRO 39 0.802 -2.271 -10.374 301 HB3 PRO 39 1HB PRO 39 1.736 -2.700 -11.811 302 HG2 PRO 39 2HG PRO 39 1.935 -4.086 -9.512 303 HG3 PRO 39 1HG PRO 39 3.316 -3.860 -10.599 304 HD2 PRO 39 2HD PRO 39 2.664 -2.454 -8.040 305 HD3 PRO 39 1HD PRO 39 4.236 -3.004 -8.657 306 H GLU 40 H GLU 40 1.390 0.452 -12.367 307 HA GLU 40 HA GLU 40 0.435 2.359 -10.422 308 HB2 GLU 40 2HB GLU 40 1.294 3.130 -12.606 309 HB3 GLU 40 1HB GLU 40 -0.032 2.295 -13.404 310 HG2 GLU 40 2HG GLU 40 -1.606 3.711 -12.062 311 HG3 GLU 40 1HG GLU 40 -0.208 4.643 -11.537 312 H GLY 41 H GLY 41 -1.507 1.276 -13.165 313 HA2 GLY 41 2HA GLY 41 -3.832 1.488 -11.474 314 HA3 GLY 41 1HA GLY 41 -3.811 1.204 -13.202 315 H LYS 42 H LYS 42 -2.218 -0.730 -10.717 316 HA LYS 42 HA LYS 42 -3.972 -2.967 -11.454 317 HB2 LYS 42 2HB LYS 42 -1.173 -2.876 -10.349 318 HB3 LYS 42 1HB LYS 42 -2.128 -4.352 -10.404 319 HG2 LYS 42 2HG LYS 42 -1.598 -2.697 -12.845 320 HG3 LYS 42 1HG LYS 42 -0.499 -3.972 -12.305 321 HD2 LYS 42 2HD LYS 42 -2.162 -5.642 -12.583 322 HD3 LYS 42 1HD LYS 42 -3.435 -4.434 -12.780 323 HE2 LYS 42 2HE LYS 42 -2.615 -3.789 -14.900 324 HE3 LYS 42 1HE LYS 42 -1.116 -4.690 -14.677 325 HZ1 LYS 42 3HZ LYS 42 -2.734 -5.792 -16.161 326 HZ2 LYS 42 1HZ LYS 42 -3.805 -5.940 -14.856 327 HZ3 LYS 42 2HZ LYS 42 -2.309 -6.740 -14.823 328 H VAL 43 H VAL 43 -5.463 -3.503 -10.044 329 HA VAL 43 HA VAL 43 -5.280 -2.515 -7.327 330 HB VAL 43 HB VAL 43 -7.470 -2.421 -8.383 331 HG11 VAL 43 1HG1 VAL 43 -7.340 -4.329 -9.863 332 HG12 VAL 43 2HG1 VAL 43 -8.770 -4.443 -8.838 333 HG13 VAL 43 3HG1 VAL 43 -7.352 -5.427 -8.484 334 HG21 VAL 43 3HG2 VAL 43 -7.375 -2.637 -5.967 335 HG22 VAL 43 1HG2 VAL 43 -7.383 -4.396 -6.105 336 HG23 VAL 43 2HG2 VAL 43 -8.795 -3.464 -6.606 337 H MET 44 H MET 44 -4.363 -3.558 -5.741 338 HA MET 44 HA MET 44 -3.593 -6.354 -6.212 339 HB2 MET 44 2HB MET 44 -2.353 -4.180 -4.532 340 HB3 MET 44 1HB MET 44 -1.867 -5.867 -4.421 341 HG2 MET 44 2HG MET 44 -1.164 -5.859 -6.726 342 HG3 MET 44 1HG MET 44 -1.774 -4.220 -6.940 343 HE1 MET 44 3HE MET 44 -0.896 -2.749 -4.303 344 HE2 MET 44 1HE MET 44 -0.672 -2.073 -5.917 345 HE3 MET 44 2HE MET 44 0.674 -2.105 -4.776 346 H GLU 45 H GLU 45 -3.820 -7.897 -4.650 347 HA GLU 45 HA GLU 45 -5.848 -7.321 -2.640 348 HB2 GLU 45 2HB GLU 45 -6.282 -9.131 -4.234 349 HB3 GLU 45 1HB GLU 45 -4.777 -9.917 -3.785 350 HG2 GLU 45 2HG GLU 45 -5.609 -10.425 -1.627 351 HG3 GLU 45 1HG GLU 45 -7.062 -9.462 -1.891 352 H THR 46 H THR 46 -5.570 -8.106 -0.491 353 HA THR 46 HA THR 46 -2.734 -8.409 0.286 354 HB THR 46 HB THR 46 -3.144 -7.040 2.281 355 HG1 THR 46 1HG THR 46 -5.609 -6.321 1.049 356 HG21 THR 46 3HG2 THR 46 -3.855 -5.615 -0.287 357 HG22 THR 46 1HG2 THR 46 -2.221 -5.998 0.252 358 HG23 THR 46 2HG2 THR 46 -3.210 -4.866 1.174 359 H ARG 47 H ARG 47 -2.386 -9.301 2.454 360 HA ARG 47 HA ARG 47 -3.770 -11.669 2.971 361 HB2 ARG 47 2HB ARG 47 -2.630 -11.486 5.253 362 HB3 ARG 47 1HB ARG 47 -1.598 -11.535 3.833 363 HG2 ARG 47 2HG ARG 47 -0.601 -9.862 4.997 364 HG3 ARG 47 1HG ARG 47 -1.757 -8.910 4.065 365 HD2 ARG 47 2HD ARG 47 -1.906 -8.109 6.272 366 HD3 ARG 47 1HD ARG 47 -3.315 -9.148 6.052 367 HE ARG 47 HE ARG 47 -1.087 -10.564 7.146 368 HH11 ARG 47 1HH1 ARG 47 -3.751 -8.433 7.964 369 HH12 ARG 47 2HH1 ARG 47 -3.792 -8.912 9.635 370 HH21 ARG 47 1HH2 ARG 47 -1.127 -11.194 9.334 371 HH22 ARG 47 2HH2 ARG 47 -2.314 -10.499 10.407 372 H ASP 48 H ASP 48 -4.455 -8.449 3.945 373 HA ASP 48 HA ASP 48 -6.008 -9.287 6.263 374 HB2 ASP 48 2HB ASP 48 -4.438 -7.386 6.411 375 HB3 ASP 48 1HB ASP 48 -5.413 -6.510 5.229 376 H GLY 49 H GLY 49 -6.425 -8.389 3.022 377 HA2 GLY 49 2HA GLY 49 -8.499 -8.986 1.930 378 HA3 GLY 49 1HA GLY 49 -9.345 -8.541 3.405 379 H THR 50 H THR 50 -6.862 -6.368 2.510 380 HA THR 50 HA THR 50 -8.843 -4.410 1.660 381 HB THR 50 HB THR 50 -5.899 -4.106 2.316 382 HG1 THR 50 1HG THR 50 -7.986 -4.453 3.933 383 HG21 THR 50 3HG2 THR 50 -6.729 -2.336 0.830 384 HG22 THR 50 1HG2 THR 50 -6.359 -1.707 2.437 385 HG23 THR 50 2HG2 THR 50 -8.036 -1.998 1.966 386 H LYS 51 H LYS 51 -8.777 -3.455 -0.336 387 HA LYS 51 HA LYS 51 -6.883 -4.563 -2.301 388 HB2 LYS 51 2HB LYS 51 -9.615 -3.323 -2.713 389 HB3 LYS 51 1HB LYS 51 -8.527 -3.787 -4.013 390 HG2 LYS 51 2HG LYS 51 -9.410 -5.794 -1.976 391 HG3 LYS 51 1HG LYS 51 -10.428 -5.391 -3.361 392 HD2 LYS 51 2HD LYS 51 -8.647 -6.029 -4.887 393 HD3 LYS 51 1HD LYS 51 -7.572 -6.353 -3.526 394 HE2 LYS 51 2HE LYS 51 -8.948 -8.172 -2.795 395 HE3 LYS 51 1HE LYS 51 -10.190 -7.776 -3.982 396 HZ1 LYS 51 3HZ LYS 51 -7.476 -8.391 -4.917 397 HZ2 LYS 51 1HZ LYS 51 -8.960 -8.641 -5.693 398 HZ3 LYS 51 2HZ LYS 51 -8.473 -9.673 -4.432 399 H ILE 52 H ILE 52 -5.488 -3.187 -3.284 400 HA ILE 52 HA ILE 52 -5.870 -0.299 -2.890 401 HB ILE 52 HB ILE 52 -3.406 -0.113 -2.413 402 HG12 ILE 52 2HG1 ILE 52 -3.667 -3.096 -1.949 403 HG13 ILE 52 1HG1 ILE 52 -2.779 -2.348 -3.272 404 HG21 ILE 52 1HG2 ILE 52 -5.099 0.088 -0.659 405 HG22 ILE 52 2HG2 ILE 52 -3.623 -0.660 -0.051 406 HG23 ILE 52 3HG2 ILE 52 -5.037 -1.657 -0.397 407 HD11 ILE 52 3HD1 ILE 52 -1.262 -1.316 -1.643 408 HD12 ILE 52 1HD1 ILE 52 -1.269 -3.075 -1.538 409 HD13 ILE 52 2HD1 ILE 52 -2.137 -2.119 -0.340 410 H ILE 53 H ILE 53 -4.658 1.051 -4.303 411 HA ILE 53 HA ILE 53 -3.011 0.005 -6.373 412 HB ILE 53 HB ILE 53 -4.945 -0.758 -7.497 413 HG12 ILE 53 2HG1 ILE 53 -3.279 0.888 -8.760 414 HG13 ILE 53 1HG1 ILE 53 -4.661 0.159 -9.564 415 HG21 ILE 53 1HG2 ILE 53 -6.203 1.926 -6.984 416 HG22 ILE 53 2HG2 ILE 53 -6.666 0.374 -6.284 417 HG23 ILE 53 3HG2 ILE 53 -6.891 0.666 -8.009 418 HD11 ILE 53 3HD1 ILE 53 -4.527 2.944 -8.426 419 HD12 ILE 53 1HD1 ILE 53 -5.941 2.218 -9.191 420 HD13 ILE 53 2HD1 ILE 53 -4.477 2.501 -10.132 421 H MET 54 H MET 54 -2.087 1.724 -7.739 422 HA MET 54 HA MET 54 -2.200 4.310 -6.301 423 HB2 MET 54 2HB MET 54 -0.075 3.040 -5.995 424 HB3 MET 54 1HB MET 54 0.168 3.063 -7.734 425 HG2 MET 54 2HG MET 54 -0.117 5.599 -6.165 426 HG3 MET 54 1HG MET 54 1.426 4.760 -6.282 427 HE1 MET 54 3HE MET 54 2.180 4.918 -10.108 428 HE2 MET 54 1HE MET 54 1.382 3.609 -9.236 429 HE3 MET 54 2HE MET 54 2.771 4.428 -8.522 430 H LYS 55 H LYS 55 -2.668 6.064 -7.466 431 HA LYS 55 HA LYS 55 -2.304 6.005 -10.361 432 HB2 LYS 55 2HB LYS 55 -4.607 5.153 -9.880 433 HB3 LYS 55 1HB LYS 55 -4.966 6.687 -9.101 434 HG2 LYS 55 2HG LYS 55 -5.837 6.551 -11.393 435 HG3 LYS 55 1HG LYS 55 -4.678 7.864 -11.182 436 HD2 LYS 55 2HD LYS 55 -2.945 6.578 -12.235 437 HD3 LYS 55 1HD LYS 55 -3.987 5.154 -12.312 438 HE2 LYS 55 2HE LYS 55 -5.430 6.206 -13.895 439 HE3 LYS 55 1HE LYS 55 -4.631 7.762 -13.670 440 HZ1 LYS 55 3HZ LYS 55 -3.203 5.385 -14.723 441 HZ2 LYS 55 1HZ LYS 55 -2.713 7.006 -14.769 442 HZ3 LYS 55 2HZ LYS 55 -4.013 6.489 -15.729 443 H GLY 56 H GLY 56 -1.445 7.862 -11.011 444 HA2 GLY 56 2HA GLY 56 -0.788 10.057 -11.050 445 HA3 GLY 56 1HA GLY 56 -2.281 10.416 -10.201 446 H ASN 57 H ASN 57 0.416 8.412 -9.080 447 HA ASN 57 HA ASN 57 1.870 8.616 -7.342 448 HB2 ASN 57 2HB ASN 57 2.819 10.631 -7.758 449 HB3 ASN 57 1HB ASN 57 1.271 11.427 -7.992 450 HD21 ASN 57 1HD2 ASN 57 0.254 12.387 -6.251 451 HD22 ASN 57 2HD2 ASN 57 1.063 12.685 -4.749 452 H GLU 58 H GLU 58 -1.395 9.215 -7.143 453 HA GLU 58 HA GLU 58 -1.508 9.382 -4.239 454 HB2 GLU 58 2HB GLU 58 -3.718 9.210 -6.293 455 HB3 GLU 58 1HB GLU 58 -3.947 9.488 -4.574 456 HG2 GLU 58 2HG GLU 58 -2.809 11.609 -4.717 457 HG3 GLU 58 1HG GLU 58 -2.427 11.321 -6.414 458 H ILE 59 H ILE 59 -3.130 7.849 -3.174 459 HA ILE 59 HA ILE 59 -2.805 5.181 -4.324 460 HB ILE 59 HB ILE 59 -1.523 6.112 -1.979 461 HG12 ILE 59 2HG1 ILE 59 -0.682 4.511 -3.660 462 HG13 ILE 59 1HG1 ILE 59 -0.494 3.931 -2.009 463 HG21 ILE 59 1HG2 ILE 59 -3.542 5.606 -0.703 464 HG22 ILE 59 2HG2 ILE 59 -2.229 4.501 -0.291 465 HG23 ILE 59 3HG2 ILE 59 -3.540 3.961 -1.342 466 HD11 ILE 59 3HD1 ILE 59 -2.442 2.493 -2.289 467 HD12 ILE 59 1HD1 ILE 59 -1.204 2.153 -3.500 468 HD13 ILE 59 2HD1 ILE 59 -2.640 3.080 -3.941 469 H PHE 60 H PHE 60 -4.620 4.220 -4.634 470 HA PHE 60 HA PHE 60 -7.031 4.883 -3.197 471 HB2 PHE 60 2HB PHE 60 -7.548 4.241 -5.352 472 HB3 PHE 60 1HB PHE 60 -6.208 3.117 -5.455 473 HD1 PHE 60 1HD PHE 60 -6.444 0.888 -4.265 474 HD2 PHE 60 2HD PHE 60 -9.737 3.463 -5.006 475 HE1 PHE 60 1HE PHE 60 -7.949 -1.026 -4.101 476 HE2 PHE 60 2HE PHE 60 -11.273 1.540 -4.819 477 HZ PHE 60 HZ PHE 60 -10.366 -0.718 -4.376 478 H ARG 61 H ARG 61 -7.084 4.338 -1.187 479 HA ARG 61 HA ARG 61 -6.482 1.552 -0.514 480 HB2 ARG 61 2HB ARG 61 -4.856 3.198 0.526 481 HB3 ARG 61 1HB ARG 61 -6.217 3.906 1.384 482 HG2 ARG 61 2HG ARG 61 -6.610 1.828 2.554 483 HG3 ARG 61 1HG ARG 61 -5.318 1.042 1.643 484 HD2 ARG 61 2HD ARG 61 -4.407 1.615 3.751 485 HD3 ARG 61 1HD ARG 61 -3.753 2.763 2.589 486 HE ARG 61 HE ARG 61 -5.886 3.342 4.544 487 HH11 ARG 61 1HH1 ARG 61 -3.315 4.443 2.422 488 HH12 ARG 61 2HH1 ARG 61 -3.350 6.072 3.024 489 HH21 ARG 61 1HH2 ARG 61 -5.902 5.471 5.344 490 HH22 ARG 61 2HH2 ARG 61 -4.813 6.655 4.670 491 H LEU 62 H LEU 62 -8.287 0.571 0.037 492 HA LEU 62 HA LEU 62 -10.587 0.230 0.077 493 HB2 LEU 62 2HB LEU 62 -10.073 2.375 2.058 494 HB3 LEU 62 1HB LEU 62 -11.739 2.099 1.600 495 HG LEU 62 HG LEU 62 -11.181 0.912 3.628 496 HD11 LEU 62 1HD1 LEU 62 -11.602 -0.887 1.249 497 HD12 LEU 62 2HD1 LEU 62 -12.852 -0.046 2.163 498 HD13 LEU 62 3HD1 LEU 62 -11.917 -1.335 2.926 499 HD21 LEU 62 3HD2 LEU 62 -9.122 -0.510 1.944 500 HD22 LEU 62 1HD2 LEU 62 -9.596 -0.975 3.578 501 HD23 LEU 62 2HD2 LEU 62 -8.806 0.576 3.298 502 H ASP 63 H ASP 63 -9.642 3.547 -0.554 503 HA ASP 63 HA ASP 63 -10.335 5.096 -2.066 504 HB2 ASP 63 2HB ASP 63 -10.964 3.668 -3.786 505 HB3 ASP 63 1HB ASP 63 -12.220 2.913 -2.824 506 H GLU 64 H GLU 64 -12.621 3.517 -0.037 507 HA GLU 64 HA GLU 64 -14.133 5.972 0.363 508 HB2 GLU 64 2HB GLU 64 -15.550 4.485 1.836 509 HB3 GLU 64 1HB GLU 64 -15.499 4.053 0.131 510 HG2 GLU 64 2HG GLU 64 -13.831 2.328 0.632 511 HG3 GLU 64 1HG GLU 64 -13.938 2.741 2.344 512 H ALA 65 H ALA 65 -11.528 4.299 1.755 513 HA ALA 65 HA ALA 65 -11.869 4.875 4.496 514 HB1 ALA 65 1HB ALA 65 -10.236 3.226 3.582 515 HB2 ALA 65 2HB ALA 65 -9.536 4.337 4.762 516 HB3 ALA 65 3HB ALA 65 -9.240 4.578 3.039 517 H LEU 66 H LEU 66 -10.047 6.555 1.975 518 HA LEU 66 HA LEU 66 -9.266 8.730 3.655 519 HB2 LEU 66 2HB LEU 66 -9.347 8.615 0.640 520 HB3 LEU 66 1HB LEU 66 -8.445 9.759 1.620 521 HG LEU 66 HG LEU 66 -7.552 7.291 2.505 522 HD11 LEU 66 1HD1 LEU 66 -7.819 7.252 -0.498 523 HD12 LEU 66 2HD1 LEU 66 -8.628 6.170 0.636 524 HD13 LEU 66 3HD1 LEU 66 -6.873 6.116 0.465 525 HD21 LEU 66 3HD2 LEU 66 -6.349 9.143 0.457 526 HD22 LEU 66 1HD2 LEU 66 -5.473 7.940 1.404 527 HD23 LEU 66 2HD2 LEU 66 -6.239 9.313 2.208 528 H ARG 67 H ARG 67 -11.915 8.051 1.533 529 HA ARG 67 HA ARG 67 -12.931 10.675 1.244 530 HB2 ARG 67 2HB ARG 67 -13.515 8.949 -0.327 531 HB3 ARG 67 1HB ARG 67 -14.189 7.949 0.947 532 HG2 ARG 67 2HG ARG 67 -16.035 9.422 1.226 533 HG3 ARG 67 1HG ARG 67 -15.317 10.622 0.156 534 HD2 ARG 67 2HD ARG 67 -16.338 7.883 -0.567 535 HD3 ARG 67 1HD ARG 67 -16.987 9.441 -1.085 536 HE ARG 67 HE ARG 67 -14.826 9.743 -2.302 537 HH11 ARG 67 1HH1 ARG 67 -16.105 6.551 -1.625 538 HH12 ARG 67 2HH1 ARG 67 -15.095 5.756 -2.801 539 HH21 ARG 67 1HH2 ARG 67 -13.516 8.702 -3.863 540 HH22 ARG 67 2HH2 ARG 67 -13.630 6.978 -4.079 541 H LYS 68 H LYS 68 -14.214 7.942 3.134 542 HA LYS 68 HA LYS 68 -15.666 9.898 4.776 543 HB2 LYS 68 2HB LYS 68 -16.193 6.967 4.256 544 HB3 LYS 68 1HB LYS 68 -17.126 7.963 5.364 545 HG2 LYS 68 2HG LYS 68 -16.833 8.577 2.430 546 HG3 LYS 68 1HG LYS 68 -18.155 7.616 3.106 547 HD2 LYS 68 2HD LYS 68 -18.702 9.553 4.588 548 HD3 LYS 68 1HD LYS 68 -17.491 10.496 3.716 549 HE2 LYS 68 2HE LYS 68 -18.716 10.140 1.629 550 HE3 LYS 68 1HE LYS 68 -19.921 9.190 2.499 551 HZ1 LYS 68 3HZ LYS 68 -20.737 11.399 2.199 552 HZ2 LYS 68 1HZ LYS 68 -19.329 12.078 2.865 553 HZ3 LYS 68 2HZ LYS 68 -20.391 11.188 3.847 554 H GLY 69 H GLY 69 -13.703 10.273 5.989 555 HA2 GLY 69 2HA GLY 69 -13.593 9.397 8.486 556 HA3 GLY 69 1HA GLY 69 -12.777 8.075 7.665 557 H HIS 70 H HIS 70 -12.713 11.637 7.778 558 HA HIS 70 HA HIS 70 -9.926 11.722 7.109 559 HB2 HIS 70 2HB HIS 70 -11.925 13.783 7.987 560 HB3 HIS 70 1HB HIS 70 -10.206 14.171 7.967 561 HD1 HIS 70 1HD HIS 70 -9.510 15.254 5.870 562 HD2 HIS 70 2HD HIS 70 -12.640 12.590 5.245 563 HE1 HIS 70 1HE HIS 70 -10.048 15.406 3.423 564 HE2 HIS 70 2HE HIS 70 -11.772 13.615 3.029 565 H SER 71 H SER 71 -8.242 11.544 8.389 566 HA SER 71 HA SER 71 -8.819 10.526 11.024 567 HB2 SER 71 2HB SER 71 -7.333 9.284 9.536 568 HB3 SER 71 1HB SER 71 -6.235 10.659 9.455 569 HG SER 71 HG SER 71 -5.506 10.220 11.407 570 H GLU 72 H GLU 72 -8.813 11.724 12.777 571 HA GLU 72 HA GLU 72 -7.277 14.135 13.071 572 HB2 GLU 72 2HB GLU 72 -9.280 13.999 14.368 573 HB3 GLU 72 1HB GLU 72 -8.859 12.408 14.982 574 HG2 GLU 72 2HG GLU 72 -8.507 13.859 16.772 575 HG3 GLU 72 1HG GLU 72 -6.901 13.529 16.133 576 H GLY 73 H GLY 73 -7.079 10.780 14.141 577 HA2 GLY 73 2HA GLY 73 -4.910 9.685 14.002 578 HA3 GLY 73 1HA GLY 73 -4.186 11.183 14.566 579 H GLY 74 H GLY 74 -3.901 8.532 15.660 580 HA2 GLY 74 2HA GLY 74 -3.593 8.921 18.265 581 HA3 GLY 74 1HA GLY 74 -5.329 8.643 18.197 Start of MODEL 14 1 H1 VAL 1 1HT VAL 1 12.830 -2.464 4.195 2 H2 VAL 1 2HT VAL 1 12.169 -2.128 2.679 3 H3 VAL 1 3HT VAL 1 11.191 -2.062 4.049 4 HA VAL 1 HA VAL 1 13.504 -0.286 3.541 5 HB VAL 1 HB VAL 1 11.905 1.497 3.105 6 HG11 VAL 1 2HG1 VAL 1 11.027 0.737 0.938 7 HG12 VAL 1 3HG1 VAL 1 11.381 -0.931 1.391 8 HG13 VAL 1 1HG1 VAL 1 12.695 0.227 1.192 9 HG21 VAL 1 1HG2 VAL 1 9.781 -0.626 3.407 10 HG22 VAL 1 2HG2 VAL 1 9.503 1.019 2.832 11 HG23 VAL 1 3HG2 VAL 1 10.055 0.742 4.485 12 H ASP 2 H ASP 2 12.961 1.831 4.896 13 HA ASP 2 HA ASP 2 12.923 0.996 7.653 14 HB2 ASP 2 2HB ASP 2 13.002 3.769 6.433 15 HB3 ASP 2 1HB ASP 2 13.224 3.411 8.143 16 H MET 3 H MET 3 11.417 1.640 9.247 17 HA MET 3 HA MET 3 8.724 1.947 8.140 18 HB2 MET 3 2HB MET 3 9.652 1.031 10.864 19 HB3 MET 3 1HB MET 3 7.979 1.088 10.322 20 HG2 MET 3 2HG MET 3 10.163 -0.569 9.092 21 HG3 MET 3 1HG MET 3 8.904 -1.154 10.172 22 HE1 MET 3 3HE MET 3 8.367 -2.292 6.288 23 HE2 MET 3 1HE MET 3 9.005 -2.851 7.835 24 HE3 MET 3 2HE MET 3 9.897 -1.659 6.889 25 H SER 4 H SER 4 11.046 3.905 9.353 26 HA SER 4 HA SER 4 9.640 5.336 11.387 27 HB2 SER 4 2HB SER 4 11.968 6.467 9.864 28 HB3 SER 4 1HB SER 4 11.597 6.593 11.584 29 HG SER 4 HG SER 4 12.381 4.595 11.931 30 H ASN 5 H ASN 5 9.885 5.433 7.984 31 HA ASN 5 HA ASN 5 8.645 8.077 7.825 32 HB2 ASN 5 2HB ASN 5 9.308 7.874 5.360 33 HB3 ASN 5 1HB ASN 5 10.623 8.015 6.525 34 HD21 ASN 5 1HD2 ASN 5 8.800 5.067 6.080 35 HD22 ASN 5 2HD2 ASN 5 10.093 4.155 5.376 36 H VAL 6 H VAL 6 7.528 5.237 8.282 37 HA VAL 6 HA VAL 6 5.701 5.082 5.994 38 HB VAL 6 HB VAL 6 6.548 2.954 7.970 39 HG11 VAL 6 1HG1 VAL 6 4.555 2.773 5.718 40 HG12 VAL 6 2HG1 VAL 6 4.198 2.660 7.442 41 HG13 VAL 6 3HG1 VAL 6 5.166 1.410 6.658 42 HG21 VAL 6 3HG2 VAL 6 7.455 1.836 5.987 43 HG22 VAL 6 1HG2 VAL 6 8.194 3.419 6.242 44 HG23 VAL 6 2HG2 VAL 6 6.962 3.211 4.996 45 H VAL 7 H VAL 7 3.563 5.238 6.284 46 HA VAL 7 HA VAL 7 2.710 5.858 9.024 47 HB VAL 7 HB VAL 7 2.530 7.509 7.012 48 HG11 VAL 7 1HG1 VAL 7 0.301 7.499 5.971 49 HG12 VAL 7 2HG1 VAL 7 0.023 5.891 6.644 50 HG13 VAL 7 3HG1 VAL 7 1.318 6.150 5.473 51 HG21 VAL 7 3HG2 VAL 7 0.341 7.097 9.022 52 HG22 VAL 7 1HG2 VAL 7 0.631 8.583 8.114 53 HG23 VAL 7 2HG2 VAL 7 1.849 7.988 9.248 54 H LYS 8 H LYS 8 2.275 3.643 6.443 55 HA LYS 8 HA LYS 8 1.022 1.807 8.184 56 HB2 LYS 8 2HB LYS 8 -1.018 3.041 7.661 57 HB3 LYS 8 1HB LYS 8 -0.722 2.850 5.938 58 HG2 LYS 8 2HG LYS 8 -2.405 1.278 6.671 59 HG3 LYS 8 1HG LYS 8 -0.944 0.412 6.192 60 HD2 LYS 8 2HD LYS 8 -0.289 0.294 8.581 61 HD3 LYS 8 1HD LYS 8 -1.831 1.039 9.008 62 HE2 LYS 8 2HE LYS 8 -3.029 -0.838 8.023 63 HE3 LYS 8 1HE LYS 8 -1.503 -1.568 7.523 64 HZ1 LYS 8 3HZ LYS 8 -2.430 -2.526 9.577 65 HZ2 LYS 8 1HZ LYS 8 -2.255 -1.029 10.349 66 HZ3 LYS 8 2HZ LYS 8 -0.889 -1.877 9.806 67 H THR 9 H THR 9 1.534 -0.153 7.629 68 HA THR 9 HA THR 9 2.547 -0.626 4.907 69 HB THR 9 HB THR 9 3.204 -1.936 7.521 70 HG1 THR 9 1HG THR 9 4.626 -0.412 7.542 71 HG21 THR 9 3HG2 THR 9 4.265 -2.645 4.792 72 HG22 THR 9 1HG2 THR 9 3.184 -3.643 5.766 73 HG23 THR 9 2HG2 THR 9 4.826 -3.319 6.322 74 H TYR 10 H TYR 10 1.878 -2.414 3.781 75 HA TYR 10 HA TYR 10 -0.325 -3.984 4.913 76 HB2 TYR 10 2HB TYR 10 -0.185 -2.521 2.326 77 HB3 TYR 10 1HB TYR 10 -1.078 -4.043 2.398 78 HD1 TYR 10 2HD TYR 10 -2.837 -4.287 4.193 79 HD2 TYR 10 1HD TYR 10 -1.183 -0.539 3.075 80 HE1 TYR 10 2HE TYR 10 -4.760 -3.158 5.195 81 HE2 TYR 10 1HE TYR 10 -3.112 0.615 4.078 82 HH TYR 10 HH TYR 10 -5.435 -1.053 6.045 83 H ASP 11 H ASP 11 -0.387 -6.034 4.551 84 HA ASP 11 HA ASP 11 1.939 -7.207 3.193 85 HB2 ASP 11 2HB ASP 11 1.133 -7.764 5.664 86 HB3 ASP 11 1HB ASP 11 0.026 -8.845 4.813 87 H LEU 12 H LEU 12 1.647 -8.067 1.333 88 HA LEU 12 HA LEU 12 -1.017 -8.212 0.167 89 HB2 LEU 12 2HB LEU 12 1.679 -8.749 -1.093 90 HB3 LEU 12 1HB LEU 12 0.145 -8.690 -1.946 91 HG LEU 12 HG LEU 12 1.581 -6.394 -0.620 92 HD11 LEU 12 1HD1 LEU 12 0.812 -6.987 -3.470 93 HD12 LEU 12 2HD1 LEU 12 2.436 -6.871 -2.799 94 HD13 LEU 12 3HD1 LEU 12 1.427 -5.433 -2.909 95 HD21 LEU 12 3HD2 LEU 12 -1.179 -6.422 -1.833 96 HD22 LEU 12 1HD2 LEU 12 -0.296 -4.990 -1.311 97 HD23 LEU 12 2HD2 LEU 12 -0.790 -6.199 -0.126 98 H GLN 13 H GLN 13 -1.899 -10.083 -0.747 99 HA GLN 13 HA GLN 13 -1.640 -12.390 0.802 100 HB2 GLN 13 2HB GLN 13 -3.610 -11.607 -0.590 101 HB3 GLN 13 1HB GLN 13 -2.772 -12.266 -1.989 102 HG2 GLN 13 2HG GLN 13 -2.781 -14.479 -0.905 103 HG3 GLN 13 1HG GLN 13 -3.708 -13.786 0.430 104 HE21 GLN 13 1HE2 GLN 13 -5.502 -15.103 0.051 105 HE22 GLN 13 2HE2 GLN 13 -6.521 -14.898 -1.335 106 H ASP 14 H ASP 14 0.295 -11.308 -1.708 107 HA ASP 14 HA ASP 14 1.107 -13.965 -2.610 108 HB2 ASP 14 2HB ASP 14 0.555 -12.102 -4.247 109 HB3 ASP 14 1HB ASP 14 2.008 -11.284 -3.682 110 H GLY 15 H GLY 15 1.833 -11.842 -0.266 111 HA2 GLY 15 2HA GLY 15 3.558 -12.397 1.321 112 HA3 GLY 15 1HA GLY 15 4.568 -12.901 -0.017 113 H SER 16 H SER 16 3.555 -10.394 -1.416 114 HA SER 16 HA SER 16 5.862 -8.853 -0.799 115 HB2 SER 16 2HB SER 16 3.513 -8.227 -2.600 116 HB3 SER 16 1HB SER 16 5.058 -7.382 -2.597 117 HG SER 16 HG SER 16 4.564 -9.314 -4.129 118 H LYS 17 H LYS 17 5.790 -6.533 -0.257 119 HA LYS 17 HA LYS 17 3.605 -5.960 1.636 120 HB2 LYS 17 2HB LYS 17 6.414 -4.893 1.835 121 HB3 LYS 17 1HB LYS 17 5.169 -4.911 3.078 122 HG2 LYS 17 2HG LYS 17 5.381 -7.278 3.345 123 HG3 LYS 17 1HG LYS 17 6.487 -7.376 1.960 124 HD2 LYS 17 2HD LYS 17 7.845 -5.596 3.364 125 HD3 LYS 17 1HD LYS 17 6.975 -6.340 4.709 126 HE2 LYS 17 2HE LYS 17 7.918 -8.443 4.298 127 HE3 LYS 17 1HE LYS 17 8.454 -7.982 2.681 128 HZ1 LYS 17 3HZ LYS 17 9.996 -6.390 3.754 129 HZ2 LYS 17 1HZ LYS 17 10.328 -8.014 4.135 130 HZ3 LYS 17 2HZ LYS 17 9.552 -7.022 5.269 131 H VAL 18 H VAL 18 2.914 -3.833 1.818 132 HA VAL 18 HA VAL 18 3.999 -1.886 -0.109 133 HB VAL 18 HB VAL 18 1.085 -2.400 0.549 134 HG11 VAL 18 1HG1 VAL 18 0.582 -0.529 -0.991 135 HG12 VAL 18 2HG1 VAL 18 2.304 -0.165 -1.087 136 HG13 VAL 18 3HG1 VAL 18 1.451 0.004 0.448 137 HG21 VAL 18 3HG2 VAL 18 2.603 -2.547 -2.058 138 HG22 VAL 18 1HG2 VAL 18 0.871 -2.812 -1.858 139 HG23 VAL 18 2HG2 VAL 18 2.025 -3.918 -1.111 140 H HIS 19 H HIS 19 4.200 0.209 0.737 141 HA HIS 19 HA HIS 19 2.989 0.657 3.381 142 HB2 HIS 19 2HB HIS 19 5.621 1.956 2.835 143 HB3 HIS 19 1HB HIS 19 4.895 1.509 4.370 144 HD1 HIS 19 1HD HIS 19 5.558 -0.745 5.355 145 HD2 HIS 19 2HD HIS 19 6.956 -0.096 1.521 146 HE1 HIS 19 1HE HIS 19 7.216 -2.587 4.928 147 HE2 HIS 19 2HE HIS 19 8.221 -2.050 2.683 148 H VAL 20 H VAL 20 1.957 2.530 3.538 149 HA VAL 20 HA VAL 20 2.351 4.518 1.424 150 HB VAL 20 HB VAL 20 0.340 4.562 3.696 151 HG11 VAL 20 1HG1 VAL 20 0.497 6.235 1.182 152 HG12 VAL 20 2HG1 VAL 20 0.949 6.778 2.797 153 HG13 VAL 20 3HG1 VAL 20 -0.726 6.355 2.447 154 HG21 VAL 20 3HG2 VAL 20 -1.325 3.893 2.066 155 HG22 VAL 20 1HG2 VAL 20 -0.037 2.688 2.125 156 HG23 VAL 20 2HG2 VAL 20 -0.104 3.845 0.794 157 H PHE 21 H PHE 21 3.744 6.074 1.770 158 HA PHE 21 HA PHE 21 5.118 6.100 4.300 159 HB2 PHE 21 2HB PHE 21 5.613 7.363 1.616 160 HB3 PHE 21 1HB PHE 21 6.584 7.784 3.023 161 HD1 PHE 21 1HD PHE 21 5.562 4.867 0.886 162 HD2 PHE 21 2HD PHE 21 8.364 6.461 3.680 163 HE1 PHE 21 1HE PHE 21 7.037 2.952 0.514 164 HE2 PHE 21 2HE PHE 21 9.838 4.534 3.292 165 HZ PHE 21 HZ PHE 21 9.178 2.776 1.707 166 H LYS 22 H LYS 22 5.503 7.920 5.544 167 HA LYS 22 HA LYS 22 3.235 9.449 6.155 168 HB2 LYS 22 2HB LYS 22 6.135 9.702 6.940 169 HB3 LYS 22 1HB LYS 22 4.879 10.740 7.608 170 HG2 LYS 22 2HG LYS 22 3.752 8.810 8.544 171 HG3 LYS 22 1HG LYS 22 4.945 7.736 7.811 172 HD2 LYS 22 2HD LYS 22 5.444 8.106 10.165 173 HD3 LYS 22 1HD LYS 22 6.707 8.792 9.142 174 HE2 LYS 22 2HE LYS 22 5.643 11.008 9.379 175 HE3 LYS 22 1HE LYS 22 4.456 10.298 10.474 176 HZ1 LYS 22 3HZ LYS 22 6.231 11.358 11.699 177 HZ2 LYS 22 1HZ LYS 22 7.393 10.408 10.908 178 HZ3 LYS 22 2HZ LYS 22 6.274 9.686 11.959 179 H ASP 23 H ASP 23 5.743 9.993 3.892 180 HA ASP 23 HA ASP 23 5.145 12.843 3.703 181 HB2 ASP 23 2HB ASP 23 7.162 12.950 2.260 182 HB3 ASP 23 1HB ASP 23 7.507 12.354 3.877 183 H GLY 24 H GLY 24 3.926 10.119 2.644 184 HA2 GLY 24 2HA GLY 24 2.100 10.172 1.215 185 HA3 GLY 24 1HA GLY 24 2.822 11.519 0.379 186 H LYS 25 H LYS 25 5.328 9.315 0.540 187 HA LYS 25 HA LYS 25 4.851 8.340 -2.077 188 HB2 LYS 25 2HB LYS 25 6.893 7.735 0.040 189 HB3 LYS 25 1HB LYS 25 6.837 6.834 -1.467 190 HG2 LYS 25 2HG LYS 25 7.977 8.413 -2.492 191 HG3 LYS 25 1HG LYS 25 6.776 9.622 -2.045 192 HD2 LYS 25 2HD LYS 25 9.075 10.139 -1.255 193 HD3 LYS 25 1HD LYS 25 7.867 10.044 0.029 194 HE2 LYS 25 2HE LYS 25 8.621 7.816 0.618 195 HE3 LYS 25 1HE LYS 25 9.759 7.814 -0.732 196 HZ1 LYS 25 3HZ LYS 25 9.853 9.799 1.468 197 HZ2 LYS 25 1HZ LYS 25 11.048 9.481 0.303 198 HZ3 LYS 25 2HZ LYS 25 10.715 8.336 1.511 199 H MET 26 H MET 26 5.069 5.956 -2.509 200 HA MET 26 HA MET 26 3.992 4.227 -0.424 201 HB2 MET 26 2HB MET 26 3.038 4.262 -3.298 202 HB3 MET 26 1HB MET 26 2.673 2.992 -2.143 203 HG2 MET 26 2HG MET 26 0.763 4.279 -2.109 204 HG3 MET 26 1HG MET 26 1.658 4.885 -0.719 205 HE1 MET 26 3HE MET 26 2.548 5.595 -4.456 206 HE2 MET 26 1HE MET 26 1.611 7.052 -4.788 207 HE3 MET 26 2HE MET 26 0.786 5.517 -4.507 208 H GLY 27 H GLY 27 5.073 2.357 -0.290 209 HA2 GLY 27 2HA GLY 27 7.080 1.858 -2.399 210 HA3 GLY 27 1HA GLY 27 7.467 1.749 -0.692 211 H MET 28 H MET 28 7.476 -0.209 -2.961 212 HA MET 28 HA MET 28 5.702 -2.222 -1.763 213 HB2 MET 28 2HB MET 28 5.141 -1.698 -4.082 214 HB3 MET 28 1HB MET 28 6.796 -2.025 -4.574 215 HG2 MET 28 2HG MET 28 6.526 -4.366 -3.918 216 HG3 MET 28 1HG MET 28 4.862 -4.037 -3.440 217 HE1 MET 28 3HE MET 28 5.854 -6.320 -5.551 218 HE2 MET 28 1HE MET 28 4.551 -6.198 -6.733 219 HE3 MET 28 2HE MET 28 4.186 -6.120 -5.008 220 H GLU 29 H GLU 29 6.571 -4.081 -1.050 221 HA GLU 29 HA GLU 29 9.351 -4.696 -1.807 222 HB2 GLU 29 2HB GLU 29 7.938 -4.926 0.832 223 HB3 GLU 29 1HB GLU 29 9.191 -6.089 0.428 224 HG2 GLU 29 2HG GLU 29 10.850 -4.455 0.344 225 HG3 GLU 29 1HG GLU 29 9.677 -3.139 0.270 226 H ASN 30 H ASN 30 9.685 -6.882 -2.436 227 HA ASN 30 HA ASN 30 7.202 -8.245 -3.102 228 HB2 ASN 30 2HB ASN 30 8.467 -9.651 -4.539 229 HB3 ASN 30 1HB ASN 30 9.119 -8.031 -4.745 230 HD21 ASN 30 1HD2 ASN 30 10.414 -10.421 -5.430 231 HD22 ASN 30 2HD2 ASN 30 11.846 -10.547 -4.459 232 H LYS 31 H LYS 31 7.017 -10.620 -2.647 233 HA LYS 31 HA LYS 31 7.104 -11.218 0.002 234 HB2 LYS 31 2HB LYS 31 7.004 -13.641 -0.680 235 HB3 LYS 31 1HB LYS 31 5.781 -12.578 -1.353 236 HG2 LYS 31 2HG LYS 31 6.921 -12.521 -3.470 237 HG3 LYS 31 1HG LYS 31 8.262 -13.463 -2.805 238 HD2 LYS 31 2HD LYS 31 6.876 -15.372 -2.503 239 HD3 LYS 31 1HD LYS 31 5.415 -14.444 -2.851 240 HE2 LYS 31 2HE LYS 31 7.633 -14.890 -4.843 241 HE3 LYS 31 1HE LYS 31 6.219 -15.933 -4.712 242 HZ1 LYS 31 3HZ LYS 31 4.823 -13.985 -5.171 243 HZ2 LYS 31 1HZ LYS 31 5.905 -14.305 -6.440 244 HZ3 LYS 31 2HZ LYS 31 6.207 -13.033 -5.367 245 H PHE 32 H PHE 32 9.889 -11.053 -1.948 246 HA PHE 32 HA PHE 32 11.396 -12.835 -0.183 247 HB2 PHE 32 2HB PHE 32 12.234 -11.472 -2.752 248 HB3 PHE 32 1HB PHE 32 13.228 -12.581 -1.815 249 HD1 PHE 32 1HD PHE 32 12.526 -14.972 -1.603 250 HD2 PHE 32 2HD PHE 32 10.626 -12.258 -4.273 251 HE1 PHE 32 1HE PHE 32 11.586 -16.870 -2.859 252 HE2 PHE 32 2HE PHE 32 9.683 -14.146 -5.532 253 HZ PHE 32 HZ PHE 32 10.161 -16.455 -4.827 254 H GLY 33 H GLY 33 10.401 -9.761 -0.061 255 HA2 GLY 33 2HA GLY 33 10.982 -8.247 1.581 256 HA3 GLY 33 1HA GLY 33 12.446 -9.164 1.883 257 H LYS 34 H LYS 34 11.777 -8.268 -1.366 258 HA LYS 34 HA LYS 34 14.009 -6.371 -1.210 259 HB2 LYS 34 2HB LYS 34 12.826 -7.750 -3.624 260 HB3 LYS 34 1HB LYS 34 14.237 -6.695 -3.626 261 HG2 LYS 34 2HG LYS 34 14.058 -9.169 -1.981 262 HG3 LYS 34 1HG LYS 34 14.707 -9.164 -3.622 263 HD2 LYS 34 2HD LYS 34 16.455 -7.645 -2.948 264 HD3 LYS 34 1HD LYS 34 15.739 -7.472 -1.345 265 HE2 LYS 34 2HE LYS 34 16.835 -10.030 -2.507 266 HE3 LYS 34 1HE LYS 34 17.664 -9.003 -1.337 267 HZ1 LYS 34 3HZ LYS 34 15.014 -10.237 -0.814 268 HZ2 LYS 34 1HZ LYS 34 16.042 -9.486 0.303 269 HZ3 LYS 34 2HZ LYS 34 16.475 -10.976 -0.384 270 H SER 35 H SER 35 13.931 -4.424 -1.977 271 HA SER 35 HA SER 35 11.346 -3.175 -1.837 272 HB2 SER 35 2HB SER 35 12.852 -1.070 -2.090 273 HB3 SER 35 1HB SER 35 12.929 -2.032 -0.613 274 HG SER 35 HG SER 35 14.839 -1.611 -2.558 275 H MET 36 H MET 36 10.157 -2.397 -3.384 276 HA MET 36 HA MET 36 11.255 -1.925 -6.063 277 HB2 MET 36 2HB MET 36 8.838 -3.608 -5.384 278 HB3 MET 36 1HB MET 36 9.178 -3.006 -6.997 279 HG2 MET 36 2HG MET 36 11.116 -4.347 -7.187 280 HG3 MET 36 1HG MET 36 11.087 -4.749 -5.469 281 HE1 MET 36 3HE MET 36 8.897 -4.978 -8.761 282 HE2 MET 36 1HE MET 36 7.755 -4.576 -7.478 283 HE3 MET 36 2HE MET 36 7.687 -6.159 -8.256 284 H ASN 37 H ASN 37 9.363 -0.910 -7.430 285 HA ASN 37 HA ASN 37 7.815 0.906 -5.701 286 HB2 ASN 37 2HB ASN 37 8.833 1.359 -8.520 287 HB3 ASN 37 1HB ASN 37 7.722 2.439 -7.688 288 HD21 ASN 37 1HD2 ASN 37 9.076 2.026 -5.100 289 HD22 ASN 37 2HD2 ASN 37 10.538 2.950 -5.186 290 H MET 38 H MET 38 5.611 1.071 -6.067 291 HA MET 38 HA MET 38 4.415 -1.232 -7.257 292 HB2 MET 38 2HB MET 38 3.417 -0.226 -5.278 293 HB3 MET 38 1HB MET 38 3.166 1.286 -6.142 294 HG2 MET 38 2HG MET 38 1.617 0.147 -7.663 295 HG3 MET 38 1HG MET 38 1.851 -1.351 -6.765 296 HE1 MET 38 3HE MET 38 1.116 -1.689 -4.251 297 HE2 MET 38 1HE MET 38 0.308 -0.457 -3.283 298 HE3 MET 38 2HE MET 38 1.994 -0.242 -3.755 299 HA PRO 39 HA PRO 39 3.924 0.438 -11.360 300 HB2 PRO 39 2HB PRO 39 2.249 -1.559 -12.225 301 HB3 PRO 39 1HB PRO 39 4.011 -1.666 -12.230 302 HG2 PRO 39 2HG PRO 39 2.043 -2.798 -10.300 303 HG3 PRO 39 1HG PRO 39 3.566 -3.489 -10.890 304 HD2 PRO 39 2HD PRO 39 3.305 -2.342 -8.440 305 HD3 PRO 39 1HD PRO 39 4.826 -2.341 -9.354 306 H GLU 40 H GLU 40 2.655 2.144 -11.538 307 HA GLU 40 HA GLU 40 0.268 2.511 -10.096 308 HB2 GLU 40 2HB GLU 40 1.773 4.330 -10.945 309 HB3 GLU 40 1HB GLU 40 1.156 4.023 -12.562 310 HG2 GLU 40 2HG GLU 40 -1.041 4.707 -11.929 311 HG3 GLU 40 1HG GLU 40 -0.576 4.800 -10.232 312 H GLY 41 H GLY 41 -1.789 2.032 -10.519 313 HA2 GLY 41 2HA GLY 41 -3.628 1.787 -12.069 314 HA3 GLY 41 1HA GLY 41 -2.488 1.150 -13.244 315 H LYS 42 H LYS 42 -1.280 -0.441 -10.892 316 HA LYS 42 HA LYS 42 -2.923 -2.788 -11.375 317 HB2 LYS 42 2HB LYS 42 -0.286 -2.424 -9.958 318 HB3 LYS 42 1HB LYS 42 -1.076 -3.971 -10.212 319 HG2 LYS 42 2HG LYS 42 -0.528 -2.268 -12.578 320 HG3 LYS 42 1HG LYS 42 0.817 -3.123 -11.818 321 HD2 LYS 42 2HD LYS 42 -1.748 -4.418 -12.726 322 HD3 LYS 42 1HD LYS 42 -0.251 -4.406 -13.661 323 HE2 LYS 42 2HE LYS 42 0.874 -5.565 -11.780 324 HE3 LYS 42 1HE LYS 42 -0.672 -5.642 -10.940 325 HZ1 LYS 42 3HZ LYS 42 -1.529 -6.899 -12.903 326 HZ2 LYS 42 1HZ LYS 42 -0.329 -7.710 -12.019 327 HZ3 LYS 42 2HZ LYS 42 0.059 -6.966 -13.492 328 H VAL 43 H VAL 43 -4.530 -3.307 -10.034 329 HA VAL 43 HA VAL 43 -4.317 -2.603 -7.209 330 HB VAL 43 HB VAL 43 -6.478 -2.178 -8.295 331 HG11 VAL 43 1HG1 VAL 43 -6.462 -3.945 -9.958 332 HG12 VAL 43 2HG1 VAL 43 -7.929 -4.018 -8.983 333 HG13 VAL 43 3HG1 VAL 43 -6.618 -5.161 -8.690 334 HG21 VAL 43 3HG2 VAL 43 -6.552 -4.349 -6.209 335 HG22 VAL 43 1HG2 VAL 43 -7.928 -3.346 -6.669 336 HG23 VAL 43 2HG2 VAL 43 -6.506 -2.609 -5.931 337 H MET 44 H MET 44 -4.022 -4.065 -5.598 338 HA MET 44 HA MET 44 -3.724 -6.884 -6.384 339 HB2 MET 44 2HB MET 44 -1.739 -5.233 -4.812 340 HB3 MET 44 1HB MET 44 -1.691 -6.989 -4.907 341 HG2 MET 44 2HG MET 44 -1.336 -6.894 -7.289 342 HG3 MET 44 1HG MET 44 -1.512 -5.140 -7.276 343 HE1 MET 44 3HE MET 44 1.681 -3.964 -5.393 344 HE2 MET 44 1HE MET 44 0.080 -4.244 -4.709 345 HE3 MET 44 2HE MET 44 0.244 -3.473 -6.288 346 H GLU 45 H GLU 45 -3.806 -8.385 -4.589 347 HA GLU 45 HA GLU 45 -5.723 -7.478 -2.604 348 HB2 GLU 45 2HB GLU 45 -4.963 -10.105 -3.756 349 HB3 GLU 45 1HB GLU 45 -5.555 -10.095 -2.102 350 HG2 GLU 45 2HG GLU 45 -7.357 -10.542 -3.600 351 HG3 GLU 45 1HG GLU 45 -7.596 -8.963 -2.860 352 H THR 46 H THR 46 -5.527 -7.818 -0.468 353 HA THR 46 HA THR 46 -2.823 -8.171 0.609 354 HB THR 46 HB THR 46 -3.885 -7.478 2.768 355 HG1 THR 46 1HG THR 46 -6.067 -6.634 1.158 356 HG21 THR 46 3HG2 THR 46 -4.135 -5.544 0.460 357 HG22 THR 46 1HG2 THR 46 -2.678 -5.861 1.399 358 HG23 THR 46 2HG2 THR 46 -4.071 -5.099 2.167 359 H ARG 47 H ARG 47 -2.642 -9.585 2.578 360 HA ARG 47 HA ARG 47 -3.330 -12.161 2.242 361 HB2 ARG 47 2HB ARG 47 -3.210 -10.765 4.909 362 HB3 ARG 47 1HB ARG 47 -3.062 -12.488 4.646 363 HG2 ARG 47 2HG ARG 47 -0.988 -12.137 3.428 364 HG3 ARG 47 1HG ARG 47 -1.143 -10.393 3.671 365 HD2 ARG 47 2HD ARG 47 -0.777 -12.518 5.779 366 HD3 ARG 47 1HD ARG 47 0.350 -11.233 5.344 367 HE ARG 47 HE ARG 47 -2.293 -10.506 6.401 368 HH11 ARG 47 1HH1 ARG 47 1.157 -10.781 6.924 369 HH12 ARG 47 2HH1 ARG 47 1.187 -9.597 8.193 370 HH21 ARG 47 1HH2 ARG 47 -2.264 -8.941 8.072 371 HH22 ARG 47 2HH2 ARG 47 -0.757 -8.542 8.848 372 H ASP 48 H ASP 48 -5.459 -9.693 3.578 373 HA ASP 48 HA ASP 48 -7.174 -11.782 4.663 374 HB2 ASP 48 2HB ASP 48 -6.500 -10.039 6.223 375 HB3 ASP 48 1HB ASP 48 -7.208 -8.816 5.172 376 H GLY 49 H GLY 49 -7.459 -8.837 2.684 377 HA2 GLY 49 2HA GLY 49 -8.983 -9.632 0.690 378 HA3 GLY 49 1HA GLY 49 -10.165 -9.682 1.986 379 H THR 50 H THR 50 -7.653 -7.200 1.881 380 HA THR 50 HA THR 50 -9.707 -5.383 0.803 381 HB THR 50 HB THR 50 -8.978 -4.754 3.118 382 HG1 THR 50 1HG THR 50 -9.599 -3.204 1.348 383 HG21 THR 50 3HG2 THR 50 -6.320 -4.264 1.779 384 HG22 THR 50 1HG2 THR 50 -6.652 -5.436 3.054 385 HG23 THR 50 2HG2 THR 50 -6.759 -3.707 3.393 386 H LYS 51 H LYS 51 -8.804 -3.640 -0.601 387 HA LYS 51 HA LYS 51 -6.656 -4.812 -2.248 388 HB2 LYS 51 2HB LYS 51 -9.111 -3.360 -3.251 389 HB3 LYS 51 1HB LYS 51 -7.862 -4.114 -4.233 390 HG2 LYS 51 2HG LYS 51 -8.506 -6.304 -3.431 391 HG3 LYS 51 1HG LYS 51 -9.707 -5.581 -2.359 392 HD2 LYS 51 2HD LYS 51 -10.853 -4.653 -4.345 393 HD3 LYS 51 1HD LYS 51 -9.688 -5.493 -5.373 394 HE2 LYS 51 2HE LYS 51 -11.577 -6.788 -3.413 395 HE3 LYS 51 1HE LYS 51 -11.783 -6.744 -5.162 396 HZ1 LYS 51 3HZ LYS 51 -9.243 -7.771 -4.660 397 HZ2 LYS 51 1HZ LYS 51 -10.595 -8.592 -5.283 398 HZ3 LYS 51 2HZ LYS 51 -10.308 -8.574 -3.611 399 H ILE 52 H ILE 52 -5.231 -3.420 -3.212 400 HA ILE 52 HA ILE 52 -5.591 -0.543 -2.762 401 HB ILE 52 HB ILE 52 -3.173 -0.345 -2.212 402 HG12 ILE 52 2HG1 ILE 52 -3.327 -3.365 -2.045 403 HG13 ILE 52 1HG1 ILE 52 -2.396 -2.440 -3.216 404 HG21 ILE 52 1HG2 ILE 52 -3.361 -1.098 0.099 405 HG22 ILE 52 2HG2 ILE 52 -4.743 -2.105 -0.334 406 HG23 ILE 52 3HG2 ILE 52 -4.861 -0.354 -0.447 407 HD11 ILE 52 3HD1 ILE 52 -0.936 -3.285 -1.521 408 HD12 ILE 52 1HD1 ILE 52 -1.929 -2.577 -0.250 409 HD13 ILE 52 2HD1 ILE 52 -1.045 -1.532 -1.361 410 H ILE 53 H ILE 53 -4.480 0.801 -4.223 411 HA ILE 53 HA ILE 53 -2.844 -0.271 -6.306 412 HB ILE 53 HB ILE 53 -4.704 -0.967 -7.508 413 HG12 ILE 53 2HG1 ILE 53 -3.184 0.933 -8.637 414 HG13 ILE 53 1HG1 ILE 53 -4.474 0.098 -9.491 415 HG21 ILE 53 1HG2 ILE 53 -6.119 1.580 -6.790 416 HG22 ILE 53 2HG2 ILE 53 -6.432 -0.023 -6.129 417 HG23 ILE 53 3HG2 ILE 53 -6.760 0.309 -7.831 418 HD11 ILE 53 3HD1 ILE 53 -4.522 2.499 -9.890 419 HD12 ILE 53 1HD1 ILE 53 -4.703 2.791 -8.160 420 HD13 ILE 53 2HD1 ILE 53 -5.978 1.962 -9.053 421 H MET 54 H MET 54 -1.819 1.350 -7.579 422 HA MET 54 HA MET 54 -1.781 3.943 -6.171 423 HB2 MET 54 2HB MET 54 0.361 2.756 -6.241 424 HB3 MET 54 1HB MET 54 0.247 2.599 -7.988 425 HG2 MET 54 2HG MET 54 0.394 5.038 -8.202 426 HG3 MET 54 1HG MET 54 0.542 5.166 -6.448 427 HE1 MET 54 3HE MET 54 2.748 6.659 -7.056 428 HE2 MET 54 1HE MET 54 2.587 6.289 -8.774 429 HE3 MET 54 2HE MET 54 4.123 6.015 -7.951 430 H LYS 55 H LYS 55 -2.471 5.726 -7.196 431 HA LYS 55 HA LYS 55 -2.573 5.788 -10.113 432 HB2 LYS 55 2HB LYS 55 -4.780 4.916 -9.342 433 HB3 LYS 55 1HB LYS 55 -5.001 6.389 -8.410 434 HG2 LYS 55 2HG LYS 55 -6.234 6.543 -10.466 435 HG3 LYS 55 1HG LYS 55 -4.894 7.693 -10.498 436 HD2 LYS 55 2HD LYS 55 -3.582 6.076 -11.822 437 HD3 LYS 55 1HD LYS 55 -4.972 4.987 -11.836 438 HE2 LYS 55 2HE LYS 55 -6.290 6.687 -13.000 439 HE3 LYS 55 1HE LYS 55 -4.906 7.780 -12.979 440 HZ1 LYS 55 3HZ LYS 55 -3.676 6.107 -14.287 441 HZ2 LYS 55 1HZ LYS 55 -5.036 6.713 -15.102 442 HZ3 LYS 55 2HZ LYS 55 -5.091 5.175 -14.396 443 H GLY 56 H GLY 56 -1.883 7.724 -10.834 444 HA2 GLY 56 2HA GLY 56 -1.320 9.944 -10.887 445 HA3 GLY 56 1HA GLY 56 -2.648 10.207 -9.768 446 H ASN 57 H ASN 57 0.208 8.219 -9.235 447 HA ASN 57 HA ASN 57 1.814 8.232 -7.635 448 HB2 ASN 57 2HB ASN 57 1.485 11.176 -8.128 449 HB3 ASN 57 1HB ASN 57 2.577 10.605 -6.869 450 HD21 ASN 57 1HD2 ASN 57 1.992 8.789 -9.784 451 HD22 ASN 57 2HD2 ASN 57 3.558 9.029 -10.485 452 H GLU 58 H GLU 58 -1.044 8.247 -6.967 453 HA GLU 58 HA GLU 58 -0.689 8.601 -4.064 454 HB2 GLU 58 2HB GLU 58 -3.216 9.026 -5.669 455 HB3 GLU 58 1HB GLU 58 -3.154 8.961 -3.915 456 HG2 GLU 58 2HG GLU 58 -1.654 10.926 -3.929 457 HG3 GLU 58 1HG GLU 58 -1.841 11.015 -5.682 458 H ILE 59 H ILE 59 -2.987 7.252 -3.262 459 HA ILE 59 HA ILE 59 -2.840 4.710 -4.634 460 HB ILE 59 HB ILE 59 -1.069 4.987 -2.664 461 HG12 ILE 59 2HG1 ILE 59 -2.706 2.491 -3.134 462 HG13 ILE 59 1HG1 ILE 59 -1.379 3.053 -4.148 463 HG21 ILE 59 1HG2 ILE 59 -1.868 3.989 -0.589 464 HG22 ILE 59 2HG2 ILE 59 -3.508 3.940 -1.236 465 HG23 ILE 59 3HG2 ILE 59 -2.725 5.493 -0.936 466 HD11 ILE 59 3HD1 ILE 59 -1.146 2.226 -1.262 467 HD12 ILE 59 1HD1 ILE 59 0.174 2.741 -2.316 468 HD13 ILE 59 2HD1 ILE 59 -0.699 1.246 -2.661 469 H PHE 60 H PHE 60 -4.674 3.690 -4.678 470 HA PHE 60 HA PHE 60 -6.929 4.464 -3.022 471 HB2 PHE 60 2HB PHE 60 -7.783 3.860 -5.043 472 HB3 PHE 60 1HB PHE 60 -6.415 2.843 -5.443 473 HD1 PHE 60 1HD PHE 60 -6.389 0.509 -4.225 474 HD2 PHE 60 2HD PHE 60 -9.842 2.932 -4.695 475 HE1 PHE 60 1HE PHE 60 -7.824 -1.446 -3.797 476 HE2 PHE 60 2HE PHE 60 -11.278 1.005 -4.281 477 HZ PHE 60 HZ PHE 60 -10.231 -1.293 -4.215 478 H ARG 61 H ARG 61 -6.778 3.915 -1.030 479 HA ARG 61 HA ARG 61 -6.109 1.137 -0.376 480 HB2 ARG 61 2HB ARG 61 -4.475 2.917 0.499 481 HB3 ARG 61 1HB ARG 61 -5.791 3.502 1.504 482 HG2 ARG 61 2HG ARG 61 -5.010 0.631 1.652 483 HG3 ARG 61 1HG ARG 61 -4.015 1.847 2.451 484 HD2 ARG 61 2HD ARG 61 -6.964 1.400 2.898 485 HD3 ARG 61 1HD ARG 61 -5.667 0.893 3.977 486 HE ARG 61 HE ARG 61 -6.134 3.733 3.352 487 HH11 ARG 61 1HH1 ARG 61 -5.632 1.147 5.645 488 HH12 ARG 61 2HH1 ARG 61 -5.591 2.209 7.029 489 HH21 ARG 61 1HH2 ARG 61 -6.082 5.138 5.174 490 HH22 ARG 61 2HH2 ARG 61 -5.852 4.474 6.762 491 H LEU 62 H LEU 62 -7.908 0.128 0.288 492 HA LEU 62 HA LEU 62 -10.211 -0.151 0.198 493 HB2 LEU 62 2HB LEU 62 -9.867 2.199 2.016 494 HB3 LEU 62 1HB LEU 62 -11.477 1.828 1.440 495 HG LEU 62 HG LEU 62 -11.023 0.895 3.665 496 HD11 LEU 62 1HD1 LEU 62 -11.347 -1.222 1.541 497 HD12 LEU 62 2HD1 LEU 62 -12.628 -0.148 2.105 498 HD13 LEU 62 3HD1 LEU 62 -11.897 -1.311 3.216 499 HD21 LEU 62 3HD2 LEU 62 -8.957 -0.762 2.221 500 HD22 LEU 62 1HD2 LEU 62 -9.493 -1.017 3.883 501 HD23 LEU 62 2HD2 LEU 62 -8.644 0.467 3.447 502 H ASP 63 H ASP 63 -9.608 3.292 0.052 503 HA ASP 63 HA ASP 63 -9.482 4.260 -2.277 504 HB2 ASP 63 2HB ASP 63 -11.151 2.893 -3.343 505 HB3 ASP 63 1HB ASP 63 -12.355 3.378 -2.162 506 H GLU 64 H GLU 64 -11.660 4.169 0.360 507 HA GLU 64 HA GLU 64 -12.007 7.079 0.385 508 HB2 GLU 64 2HB GLU 64 -13.772 6.566 2.088 509 HB3 GLU 64 1HB GLU 64 -14.064 5.820 0.520 510 HG2 GLU 64 2HG GLU 64 -13.306 3.694 1.322 511 HG3 GLU 64 1HG GLU 64 -12.788 4.402 2.847 512 H ALA 65 H ALA 65 -10.530 4.461 2.132 513 HA ALA 65 HA ALA 65 -10.521 5.472 4.723 514 HB1 ALA 65 1HB ALA 65 -9.991 3.126 4.007 515 HB2 ALA 65 2HB ALA 65 -8.920 3.798 5.240 516 HB3 ALA 65 3HB ALA 65 -8.384 3.702 3.563 517 H LEU 66 H LEU 66 -7.891 5.621 2.317 518 HA LEU 66 HA LEU 66 -6.510 7.568 3.978 519 HB2 LEU 66 2HB LEU 66 -4.605 7.205 2.695 520 HB3 LEU 66 1HB LEU 66 -5.355 5.634 2.816 521 HG LEU 66 HG LEU 66 -4.601 5.725 0.630 522 HD11 LEU 66 1HD1 LEU 66 -7.450 6.666 0.430 523 HD12 LEU 66 2HD1 LEU 66 -6.921 5.003 0.683 524 HD13 LEU 66 3HD1 LEU 66 -6.538 5.828 -0.827 525 HD21 LEU 66 3HD2 LEU 66 -5.524 8.574 0.619 526 HD22 LEU 66 1HD2 LEU 66 -5.038 7.720 -0.852 527 HD23 LEU 66 2HD2 LEU 66 -3.880 7.952 0.462 528 H ARG 67 H ARG 67 -8.691 7.502 1.453 529 HA ARG 67 HA ARG 67 -8.127 9.739 -0.093 530 HB2 ARG 67 2HB ARG 67 -9.832 8.194 -0.721 531 HB3 ARG 67 1HB ARG 67 -10.705 8.443 0.775 532 HG2 ARG 67 2HG ARG 67 -11.291 10.689 0.041 533 HG3 ARG 67 1HG ARG 67 -10.406 10.425 -1.462 534 HD2 ARG 67 2HD ARG 67 -11.897 8.756 -2.172 535 HD3 ARG 67 1HD ARG 67 -12.596 8.583 -0.566 536 HE ARG 67 HE ARG 67 -13.043 11.203 -1.519 537 HH11 ARG 67 1HH1 ARG 67 -14.039 7.896 -2.137 538 HH12 ARG 67 2HH1 ARG 67 -15.644 8.334 -2.636 539 HH21 ARG 67 1HH2 ARG 67 -15.177 11.777 -2.189 540 HH22 ARG 67 2HH2 ARG 67 -16.278 10.520 -2.672 541 H LYS 68 H LYS 68 -10.352 9.538 2.678 542 HA LYS 68 HA LYS 68 -9.916 12.393 3.150 543 HB2 LYS 68 2HB LYS 68 -11.966 10.510 4.339 544 HB3 LYS 68 1HB LYS 68 -11.835 12.228 4.704 545 HG2 LYS 68 2HG LYS 68 -12.267 12.750 2.346 546 HG3 LYS 68 1HG LYS 68 -12.451 11.027 2.015 547 HD2 LYS 68 2HD LYS 68 -14.337 10.932 3.574 548 HD3 LYS 68 1HD LYS 68 -14.155 12.660 3.893 549 HE2 LYS 68 2HE LYS 68 -14.577 13.129 1.521 550 HE3 LYS 68 1HE LYS 68 -14.784 11.403 1.224 551 HZ1 LYS 68 3HZ LYS 68 -16.913 12.469 1.448 552 HZ2 LYS 68 1HZ LYS 68 -16.490 13.106 2.963 553 HZ3 LYS 68 2HZ LYS 68 -16.673 11.430 2.765 554 H GLY 69 H GLY 69 -7.836 12.158 3.894 555 HA2 GLY 69 2HA GLY 69 -7.379 11.921 6.614 556 HA3 GLY 69 1HA GLY 69 -7.056 10.334 5.921 557 H HIS 70 H HIS 70 -5.843 10.741 3.614 558 HA HIS 70 HA HIS 70 -3.474 12.322 4.309 559 HB2 HIS 70 2HB HIS 70 -3.005 10.011 3.657 560 HB3 HIS 70 1HB HIS 70 -3.872 10.241 2.141 561 HD1 HIS 70 1HD HIS 70 -0.861 11.806 3.910 562 HD2 HIS 70 2HD HIS 70 -2.228 10.870 0.085 563 HE1 HIS 70 1HE HIS 70 1.010 12.413 2.345 564 HE2 HIS 70 2HE HIS 70 0.087 12.033 0.030 565 H SER 71 H SER 71 -4.212 14.354 3.883 566 HA SER 71 HA SER 71 -4.754 14.961 1.058 567 HB2 SER 71 2HB SER 71 -6.300 16.754 1.898 568 HB3 SER 71 1HB SER 71 -6.860 15.115 2.242 569 HG SER 71 HG SER 71 -6.077 17.130 3.962 570 H GLU 72 H GLU 72 -4.295 17.252 0.517 571 HA GLU 72 HA GLU 72 -3.043 19.148 0.516 572 HB2 GLU 72 2HB GLU 72 -3.038 18.678 3.503 573 HB3 GLU 72 1HB GLU 72 -2.562 20.179 2.716 574 HG2 GLU 72 2HG GLU 72 -4.698 20.768 2.225 575 HG3 GLU 72 1HG GLU 72 -5.232 19.100 2.038 576 H GLY 73 H GLY 73 -1.781 16.497 0.307 577 HA2 GLY 73 2HA GLY 73 0.962 17.293 1.082 578 HA3 GLY 73 1HA GLY 73 0.404 15.627 1.174 579 H GLY 74 H GLY 74 -0.660 17.623 -1.422 580 HA2 GLY 74 2HA GLY 74 0.654 15.914 -3.349 581 HA3 GLY 74 1HA GLY 74 -0.479 17.212 -3.701 Start of MODEL 15 1 H1 VAL 1 1HT VAL 1 6.302 -2.634 9.022 2 H2 VAL 1 2HT VAL 1 7.119 -3.749 9.999 3 H3 VAL 1 3HT VAL 1 6.827 -4.109 8.368 4 HA VAL 1 HA VAL 1 9.117 -3.498 8.722 5 HB VAL 1 HB VAL 1 9.351 -1.754 7.047 6 HG11 VAL 1 2HG1 VAL 1 7.083 -3.637 6.435 7 HG12 VAL 1 3HG1 VAL 1 8.807 -3.970 6.264 8 HG13 VAL 1 1HG1 VAL 1 8.033 -2.761 5.234 9 HG21 VAL 1 1HG2 VAL 1 6.385 -1.296 7.380 10 HG22 VAL 1 2HG2 VAL 1 7.387 -0.596 6.107 11 HG23 VAL 1 3HG2 VAL 1 7.679 -0.167 7.793 12 H ASP 2 H ASP 2 6.799 -1.176 9.948 13 HA ASP 2 HA ASP 2 6.975 0.684 11.230 14 HB2 ASP 2 2HB ASP 2 8.945 -1.173 12.547 15 HB3 ASP 2 1HB ASP 2 8.437 0.352 13.265 16 H MET 3 H MET 3 7.948 1.635 9.233 17 HA MET 3 HA MET 3 10.680 2.260 9.158 18 HB2 MET 3 2HB MET 3 8.366 3.539 7.761 19 HB3 MET 3 1HB MET 3 10.047 3.970 7.466 20 HG2 MET 3 2HG MET 3 8.859 1.236 7.082 21 HG3 MET 3 1HG MET 3 9.184 2.409 5.804 22 HE1 MET 3 3HE MET 3 10.246 -0.742 6.610 23 HE2 MET 3 1HE MET 3 11.824 -0.703 5.823 24 HE3 MET 3 2HE MET 3 10.402 -0.082 4.982 25 H SER 4 H SER 4 8.105 3.542 10.924 26 HA SER 4 HA SER 4 7.881 5.196 12.429 27 HB2 SER 4 2HB SER 4 10.815 5.617 11.884 28 HB3 SER 4 1HB SER 4 9.907 6.537 13.083 29 HG SER 4 HG SER 4 9.435 3.923 13.432 30 H ASN 5 H ASN 5 9.436 5.815 9.407 31 HA ASN 5 HA ASN 5 8.014 8.318 9.125 32 HB2 ASN 5 2HB ASN 5 10.102 8.544 8.183 33 HB3 ASN 5 1HB ASN 5 10.137 6.887 7.591 34 HD21 ASN 5 1HD2 ASN 5 9.061 6.409 5.630 35 HD22 ASN 5 2HD2 ASN 5 8.681 7.653 4.491 36 H VAL 6 H VAL 6 7.555 4.981 8.563 37 HA VAL 6 HA VAL 6 5.669 5.504 6.398 38 HB VAL 6 HB VAL 6 7.154 3.470 6.437 39 HG11 VAL 6 1HG1 VAL 6 6.942 2.888 8.777 40 HG12 VAL 6 2HG1 VAL 6 6.434 1.546 7.746 41 HG13 VAL 6 3HG1 VAL 6 5.222 2.544 8.553 42 HG21 VAL 6 3HG2 VAL 6 5.338 1.947 5.666 43 HG22 VAL 6 1HG2 VAL 6 5.352 3.549 4.920 44 HG23 VAL 6 2HG2 VAL 6 4.182 3.171 6.188 45 H VAL 7 H VAL 7 3.479 5.568 6.628 46 HA VAL 7 HA VAL 7 2.497 5.639 9.371 47 HB VAL 7 HB VAL 7 0.366 6.510 8.364 48 HG11 VAL 7 1HG1 VAL 7 1.272 8.731 7.902 49 HG12 VAL 7 2HG1 VAL 7 2.889 8.045 7.748 50 HG13 VAL 7 3HG1 VAL 7 2.056 7.995 9.301 51 HG21 VAL 7 3HG2 VAL 7 0.717 5.546 6.093 52 HG22 VAL 7 1HG2 VAL 7 1.990 6.747 5.833 53 HG23 VAL 7 2HG2 VAL 7 0.323 7.265 6.091 54 H LYS 8 H LYS 8 2.419 3.542 6.652 55 HA LYS 8 HA LYS 8 1.267 1.482 8.192 56 HB2 LYS 8 2HB LYS 8 -0.815 2.685 7.732 57 HB3 LYS 8 1HB LYS 8 -0.525 2.558 6.001 58 HG2 LYS 8 2HG LYS 8 -2.172 0.929 6.815 59 HG3 LYS 8 1HG LYS 8 -0.740 0.139 6.143 60 HD2 LYS 8 2HD LYS 8 -1.259 -0.992 8.169 61 HD3 LYS 8 1HD LYS 8 0.156 0.015 8.470 62 HE2 LYS 8 2HE LYS 8 -1.320 1.729 9.459 63 HE3 LYS 8 1HE LYS 8 -2.684 0.624 9.262 64 HZ1 LYS 8 3HZ LYS 8 -1.737 0.547 11.509 65 HZ2 LYS 8 1HZ LYS 8 -0.243 0.059 10.871 66 HZ3 LYS 8 2HZ LYS 8 -1.597 -0.949 10.724 67 H THR 9 H THR 9 1.329 -0.541 7.202 68 HA THR 9 HA THR 9 2.469 -0.661 4.518 69 HB THR 9 HB THR 9 3.618 -1.877 7.010 70 HG1 THR 9 1HG THR 9 4.268 0.167 5.837 71 HG21 THR 9 3HG2 THR 9 4.138 -2.840 4.194 72 HG22 THR 9 1HG2 THR 9 3.344 -3.764 5.472 73 HG23 THR 9 2HG2 THR 9 5.041 -3.319 5.630 74 H TYR 10 H TYR 10 1.980 -2.550 3.371 75 HA TYR 10 HA TYR 10 -0.216 -4.132 4.490 76 HB2 TYR 10 2HB TYR 10 -0.226 -2.553 1.946 77 HB3 TYR 10 1HB TYR 10 -1.266 -3.965 2.147 78 HD1 TYR 10 2HD TYR 10 -2.536 -3.950 4.544 79 HD2 TYR 10 1HD TYR 10 -1.137 -0.549 2.419 80 HE1 TYR 10 2HE TYR 10 -4.191 -2.544 5.713 81 HE2 TYR 10 1HE TYR 10 -2.770 0.859 3.557 82 HH TYR 10 HH TYR 10 -4.915 0.633 4.712 83 H ASP 11 H ASP 11 -0.519 -6.091 3.822 84 HA ASP 11 HA ASP 11 1.731 -7.249 2.345 85 HB2 ASP 11 2HB ASP 11 -0.019 -8.371 4.512 86 HB3 ASP 11 1HB ASP 11 0.896 -9.427 3.443 87 H LEU 12 H LEU 12 1.416 -8.071 0.545 88 HA LEU 12 HA LEU 12 -1.131 -7.842 -0.767 89 HB2 LEU 12 2HB LEU 12 1.548 -8.796 -1.757 90 HB3 LEU 12 1HB LEU 12 0.119 -8.635 -2.777 91 HG LEU 12 HG LEU 12 1.804 -6.491 -1.542 92 HD11 LEU 12 1HD1 LEU 12 0.534 -6.768 -4.254 93 HD12 LEU 12 2HD1 LEU 12 2.173 -7.271 -3.856 94 HD13 LEU 12 3HD1 LEU 12 1.726 -5.569 -3.757 95 HD21 LEU 12 3HD2 LEU 12 0.071 -4.837 -2.021 96 HD22 LEU 12 1HD2 LEU 12 -0.459 -5.979 -0.784 97 HD23 LEU 12 2HD2 LEU 12 -1.055 -6.128 -2.440 98 H GLN 13 H GLN 13 0.109 -10.297 1.050 99 HA GLN 13 HA GLN 13 -1.002 -12.239 1.617 100 HB2 GLN 13 2HB GLN 13 -3.061 -11.416 0.498 101 HB3 GLN 13 1HB GLN 13 -2.447 -12.027 -1.030 102 HG2 GLN 13 2HG GLN 13 -2.535 -14.287 -0.216 103 HG3 GLN 13 1HG GLN 13 -3.012 -13.725 1.388 104 HE21 GLN 13 1HE2 GLN 13 -4.934 -14.859 1.369 105 HE22 GLN 13 2HE2 GLN 13 -6.268 -14.416 0.361 106 H ASP 14 H ASP 14 0.283 -11.700 -1.570 107 HA ASP 14 HA ASP 14 1.259 -14.400 -1.878 108 HB2 ASP 14 2HB ASP 14 0.799 -13.237 -3.923 109 HB3 ASP 14 1HB ASP 14 1.693 -11.818 -3.399 110 H GLY 15 H GLY 15 2.065 -11.483 -0.398 111 HA2 GLY 15 2HA GLY 15 3.657 -11.884 1.486 112 HA3 GLY 15 1HA GLY 15 4.731 -12.503 0.259 113 H SER 16 H SER 16 3.615 -10.228 -1.499 114 HA SER 16 HA SER 16 5.788 -8.495 -1.138 115 HB2 SER 16 2HB SER 16 3.205 -7.823 -2.542 116 HB3 SER 16 1HB SER 16 4.796 -7.134 -2.842 117 HG SER 16 HG SER 16 3.704 -9.235 -4.006 118 H LYS 17 H LYS 17 5.944 -6.461 -0.250 119 HA LYS 17 HA LYS 17 3.787 -5.752 1.624 120 HB2 LYS 17 2HB LYS 17 6.766 -5.317 1.906 121 HB3 LYS 17 1HB LYS 17 5.542 -4.827 3.076 122 HG2 LYS 17 2HG LYS 17 4.911 -7.232 3.300 123 HG3 LYS 17 1HG LYS 17 6.300 -7.626 2.279 124 HD2 LYS 17 2HD LYS 17 7.791 -6.555 3.884 125 HD3 LYS 17 1HD LYS 17 6.410 -6.159 4.911 126 HE2 LYS 17 2HE LYS 17 7.285 -8.940 4.143 127 HE3 LYS 17 1HE LYS 17 7.611 -8.159 5.689 128 HZ1 LYS 17 3HZ LYS 17 5.704 -9.683 5.753 129 HZ2 LYS 17 1HZ LYS 17 4.885 -8.715 4.625 130 HZ3 LYS 17 2HZ LYS 17 5.269 -8.097 6.156 131 H VAL 18 H VAL 18 2.873 -3.850 1.341 132 HA VAL 18 HA VAL 18 4.244 -1.844 -0.337 133 HB VAL 18 HB VAL 18 1.300 -2.192 0.293 134 HG11 VAL 18 1HG1 VAL 18 0.923 -0.409 -1.358 135 HG12 VAL 18 2HG1 VAL 18 2.665 -0.178 -1.496 136 HG13 VAL 18 3HG1 VAL 18 1.849 0.160 0.030 137 HG21 VAL 18 3HG2 VAL 18 2.807 -2.614 -2.291 138 HG22 VAL 18 1HG2 VAL 18 1.065 -2.776 -2.069 139 HG23 VAL 18 2HG2 VAL 18 2.165 -3.885 -1.250 140 H HIS 19 H HIS 19 4.656 0.170 0.521 141 HA HIS 19 HA HIS 19 3.641 0.622 3.250 142 HB2 HIS 19 2HB HIS 19 6.230 1.807 2.352 143 HB3 HIS 19 1HB HIS 19 5.682 1.444 3.976 144 HD1 HIS 19 1HD HIS 19 5.098 -1.605 3.562 145 HD2 HIS 19 2HD HIS 19 8.499 0.398 2.328 146 HE1 HIS 19 1HE HIS 19 6.864 -3.377 3.317 147 HE2 HIS 19 2HE HIS 19 8.957 -2.136 2.650 148 H VAL 20 H VAL 20 2.474 2.386 3.473 149 HA VAL 20 HA VAL 20 2.760 4.542 1.501 150 HB VAL 20 HB VAL 20 0.718 4.315 3.723 151 HG11 VAL 20 1HG1 VAL 20 1.140 6.596 2.928 152 HG12 VAL 20 2HG1 VAL 20 -0.477 6.048 2.487 153 HG13 VAL 20 3HG1 VAL 20 0.804 6.083 1.273 154 HG21 VAL 20 3HG2 VAL 20 -0.877 3.636 1.998 155 HG22 VAL 20 1HG2 VAL 20 0.441 2.474 2.140 156 HG23 VAL 20 2HG2 VAL 20 0.417 3.622 0.800 157 H PHE 21 H PHE 21 4.101 6.132 2.011 158 HA PHE 21 HA PHE 21 5.151 6.158 4.736 159 HB2 PHE 21 2HB PHE 21 6.220 7.330 2.165 160 HB3 PHE 21 1HB PHE 21 7.038 7.418 3.721 161 HD1 PHE 21 2HD PHE 21 7.639 5.169 4.857 162 HD2 PHE 21 1HD PHE 21 6.565 5.479 0.739 163 HE1 PHE 21 2HE PHE 21 8.770 3.047 4.401 164 HE2 PHE 21 1HE PHE 21 7.702 3.360 0.295 165 HZ PHE 21 HZ PHE 21 8.806 2.142 2.118 166 H LYS 22 H LYS 22 5.830 8.319 5.622 167 HA LYS 22 HA LYS 22 3.567 9.910 6.038 168 HB2 LYS 22 2HB LYS 22 6.479 10.198 6.681 169 HB3 LYS 22 1HB LYS 22 5.407 11.562 6.946 170 HG2 LYS 22 2HG LYS 22 4.104 10.306 8.518 171 HG3 LYS 22 1HG LYS 22 5.009 8.833 8.148 172 HD2 LYS 22 2HD LYS 22 7.052 9.860 8.987 173 HD3 LYS 22 1HD LYS 22 6.184 11.358 9.309 174 HE2 LYS 22 2HE LYS 22 5.529 8.713 10.584 175 HE3 LYS 22 1HE LYS 22 6.582 9.926 11.309 176 HZ1 LYS 22 3HZ LYS 22 4.499 10.310 12.244 177 HZ2 LYS 22 1HZ LYS 22 3.672 10.104 10.775 178 HZ3 LYS 22 2HZ LYS 22 4.618 11.488 11.035 179 H ASP 23 H ASP 23 6.020 10.129 3.621 180 HA ASP 23 HA ASP 23 5.488 12.921 3.061 181 HB2 ASP 23 2HB ASP 23 7.309 12.597 1.323 182 HB3 ASP 23 1HB ASP 23 7.809 12.408 2.998 183 H GLY 24 H GLY 24 4.069 10.124 2.455 184 HA2 GLY 24 2HA GLY 24 2.140 9.972 1.214 185 HA3 GLY 24 1HA GLY 24 2.681 11.325 0.251 186 H LYS 25 H LYS 25 5.297 9.370 0.301 187 HA LYS 25 HA LYS 25 4.679 8.259 -2.271 188 HB2 LYS 25 2HB LYS 25 7.106 8.129 -0.506 189 HB3 LYS 25 1HB LYS 25 6.988 7.249 -2.024 190 HG2 LYS 25 2HG LYS 25 7.504 9.054 -3.195 191 HG3 LYS 25 1HG LYS 25 6.269 10.015 -2.382 192 HD2 LYS 25 2HD LYS 25 8.530 10.917 -2.051 193 HD3 LYS 25 1HD LYS 25 7.756 10.434 -0.540 194 HE2 LYS 25 2HE LYS 25 8.982 8.260 -0.701 195 HE3 LYS 25 1HE LYS 25 9.861 8.923 -2.078 196 HZ1 LYS 25 3HZ LYS 25 9.845 10.082 0.657 197 HZ2 LYS 25 1HZ LYS 25 10.747 10.645 -0.669 198 HZ3 LYS 25 2HZ LYS 25 11.090 9.128 0.005 199 H MET 26 H MET 26 5.441 5.915 -2.602 200 HA MET 26 HA MET 26 4.544 4.188 -0.431 201 HB2 MET 26 2HB MET 26 3.593 4.006 -3.295 202 HB3 MET 26 1HB MET 26 3.372 2.736 -2.104 203 HG2 MET 26 2HG MET 26 1.344 3.789 -2.034 204 HG3 MET 26 1HG MET 26 2.198 4.604 -0.725 205 HE1 MET 26 3HE MET 26 2.708 5.096 -4.603 206 HE2 MET 26 1HE MET 26 1.567 6.397 -4.928 207 HE3 MET 26 2HE MET 26 0.976 4.811 -4.430 208 H GLY 27 H GLY 27 5.631 2.335 -0.250 209 HA2 GLY 27 2HA GLY 27 7.759 1.841 -2.238 210 HA3 GLY 27 1HA GLY 27 8.013 1.673 -0.508 211 H MET 28 H MET 28 7.969 -0.182 -2.975 212 HA MET 28 HA MET 28 6.096 -2.156 -1.877 213 HB2 MET 28 2HB MET 28 5.564 -1.296 -4.156 214 HB3 MET 28 1HB MET 28 7.113 -1.899 -4.718 215 HG2 MET 28 2HG MET 28 5.117 -3.745 -3.474 216 HG3 MET 28 1HG MET 28 4.986 -3.272 -5.165 217 HE1 MET 28 3HE MET 28 6.358 -6.889 -5.479 218 HE2 MET 28 1HE MET 28 5.164 -5.729 -6.065 219 HE3 MET 28 2HE MET 28 5.137 -6.251 -4.382 220 H GLU 29 H GLU 29 6.858 -4.057 -1.251 221 HA GLU 29 HA GLU 29 9.582 -4.846 -2.035 222 HB2 GLU 29 2HB GLU 29 8.271 -4.932 0.678 223 HB3 GLU 29 1HB GLU 29 9.557 -6.059 0.267 224 HG2 GLU 29 2HG GLU 29 11.093 -4.258 -0.108 225 HG3 GLU 29 1HG GLU 29 9.814 -3.066 0.124 226 H ASN 30 H ASN 30 9.866 -7.069 -2.399 227 HA ASN 30 HA ASN 30 7.415 -8.500 -3.017 228 HB2 ASN 30 2HB ASN 30 8.822 -10.108 -4.134 229 HB3 ASN 30 1HB ASN 30 9.405 -8.502 -4.557 230 HD21 ASN 30 1HD2 ASN 30 10.878 -10.866 -4.803 231 HD22 ASN 30 2HD2 ASN 30 12.230 -10.774 -3.725 232 H LYS 31 H LYS 31 7.294 -10.880 -2.344 233 HA LYS 31 HA LYS 31 7.305 -11.221 0.390 234 HB2 LYS 31 2HB LYS 31 7.092 -13.664 -0.120 235 HB3 LYS 31 1HB LYS 31 5.962 -12.611 -0.956 236 HG2 LYS 31 2HG LYS 31 7.522 -12.693 -2.929 237 HG3 LYS 31 1HG LYS 31 8.376 -13.989 -2.084 238 HD2 LYS 31 2HD LYS 31 6.481 -15.396 -2.120 239 HD3 LYS 31 1HD LYS 31 5.412 -14.070 -2.576 240 HE2 LYS 31 2HE LYS 31 6.666 -13.912 -4.734 241 HE3 LYS 31 1HE LYS 31 7.525 -15.381 -4.275 242 HZ1 LYS 31 3HZ LYS 31 5.612 -15.805 -5.731 243 HZ2 LYS 31 1HZ LYS 31 4.570 -15.175 -4.547 244 HZ3 LYS 31 2HZ LYS 31 5.462 -16.586 -4.234 245 H PHE 32 H PHE 32 10.073 -10.806 -1.187 246 HA PHE 32 HA PHE 32 11.571 -12.581 0.616 247 HB2 PHE 32 2HB PHE 32 12.403 -11.420 -2.050 248 HB3 PHE 32 1HB PHE 32 13.492 -12.287 -0.969 249 HD1 PHE 32 2HD PHE 32 10.619 -12.598 -3.228 250 HD2 PHE 32 1HD PHE 32 13.341 -14.670 -0.702 251 HE1 PHE 32 2HE PHE 32 9.891 -14.733 -4.206 252 HE2 PHE 32 1HE PHE 32 12.620 -16.810 -1.674 253 HZ PHE 32 HZ PHE 32 10.893 -16.846 -3.427 254 H GLY 33 H GLY 33 10.454 -9.550 0.370 255 HA2 GLY 33 2HA GLY 33 10.835 -7.832 1.840 256 HA3 GLY 33 1HA GLY 33 12.228 -8.708 2.442 257 H LYS 34 H LYS 34 12.076 -8.117 -0.962 258 HA LYS 34 HA LYS 34 13.990 -5.917 -0.562 259 HB2 LYS 34 2HB LYS 34 15.103 -6.480 -2.583 260 HB3 LYS 34 1HB LYS 34 14.917 -7.956 -1.662 261 HG2 LYS 34 2HG LYS 34 14.399 -8.684 -3.761 262 HG3 LYS 34 1HG LYS 34 12.797 -8.266 -3.155 263 HD2 LYS 34 2HD LYS 34 13.109 -7.420 -5.422 264 HD3 LYS 34 1HD LYS 34 12.943 -6.092 -4.270 265 HE2 LYS 34 2HE LYS 34 15.390 -5.849 -4.228 266 HE3 LYS 34 1HE LYS 34 15.528 -7.142 -5.421 267 HZ1 LYS 34 3HZ LYS 34 15.647 -4.896 -6.391 268 HZ2 LYS 34 1HZ LYS 34 14.064 -4.592 -5.866 269 HZ3 LYS 34 2HZ LYS 34 14.358 -5.805 -7.017 270 H SER 35 H SER 35 13.885 -4.105 -1.814 271 HA SER 35 HA SER 35 11.164 -3.320 -2.296 272 HB2 SER 35 2HB SER 35 12.781 -1.858 -1.115 273 HB3 SER 35 1HB SER 35 13.704 -1.705 -2.609 274 HG SER 35 HG SER 35 10.991 -1.116 -2.759 275 H MET 36 H MET 36 10.157 -2.967 -4.158 276 HA MET 36 HA MET 36 11.726 -2.723 -6.625 277 HB2 MET 36 2HB MET 36 9.223 -4.391 -6.273 278 HB3 MET 36 1HB MET 36 9.909 -3.966 -7.833 279 HG2 MET 36 2HG MET 36 12.006 -5.120 -7.138 280 HG3 MET 36 1HG MET 36 11.158 -5.672 -5.696 281 HE1 MET 36 3HE MET 36 8.315 -7.897 -7.306 282 HE2 MET 36 1HE MET 36 8.201 -6.166 -6.983 283 HE3 MET 36 2HE MET 36 8.966 -7.237 -5.807 284 H ASN 37 H ASN 37 10.105 -1.906 -8.422 285 HA ASN 37 HA ASN 37 8.814 0.439 -7.238 286 HB2 ASN 37 2HB ASN 37 9.625 -0.167 -10.087 287 HB3 ASN 37 1HB ASN 37 8.805 1.307 -9.584 288 HD21 ASN 37 1HD2 ASN 37 10.216 1.462 -7.055 289 HD22 ASN 37 2HD2 ASN 37 11.825 1.973 -7.419 290 H MET 38 H MET 38 6.709 0.990 -7.589 291 HA MET 38 HA MET 38 4.995 -1.288 -8.254 292 HB2 MET 38 2HB MET 38 4.645 -0.291 -6.067 293 HB3 MET 38 1HB MET 38 4.426 1.296 -6.792 294 HG2 MET 38 2HG MET 38 2.394 0.525 -7.890 295 HG3 MET 38 1HG MET 38 2.617 -1.078 -7.188 296 HE1 MET 38 3HE MET 38 2.177 -0.353 -3.369 297 HE2 MET 38 1HE MET 38 3.701 -0.289 -4.255 298 HE3 MET 38 2HE MET 38 2.535 -1.568 -4.597 299 HA PRO 39 HA PRO 39 3.915 0.832 -12.032 300 HB2 PRO 39 2HB PRO 39 2.330 -1.125 -13.016 301 HB3 PRO 39 1HB PRO 39 4.094 -1.211 -13.066 302 HG2 PRO 39 2HG PRO 39 2.180 -2.516 -11.177 303 HG3 PRO 39 1HG PRO 39 3.648 -3.175 -11.922 304 HD2 PRO 39 2HD PRO 39 3.540 -2.234 -9.359 305 HD3 PRO 39 1HD PRO 39 5.015 -2.242 -10.342 306 H GLU 40 H GLU 40 2.442 2.381 -12.107 307 HA GLU 40 HA GLU 40 0.135 2.469 -10.474 308 HB2 GLU 40 2HB GLU 40 1.276 4.494 -11.268 309 HB3 GLU 40 1HB GLU 40 0.835 4.103 -12.923 310 HG2 GLU 40 2HG GLU 40 -1.531 4.327 -12.333 311 HG3 GLU 40 1HG GLU 40 -1.068 4.762 -10.690 312 H GLY 41 H GLY 41 -2.017 2.082 -10.916 313 HA2 GLY 41 2HA GLY 41 -3.845 1.779 -12.422 314 HA3 GLY 41 1HA GLY 41 -2.713 1.199 -13.634 315 H LYS 42 H LYS 42 -1.731 -0.257 -10.892 316 HA LYS 42 HA LYS 42 -3.241 -2.689 -11.542 317 HB2 LYS 42 2HB LYS 42 -0.773 -2.355 -9.844 318 HB3 LYS 42 1HB LYS 42 -1.481 -3.874 -10.355 319 HG2 LYS 42 2HG LYS 42 -0.314 -1.831 -12.234 320 HG3 LYS 42 1HG LYS 42 0.558 -3.229 -11.608 321 HD2 LYS 42 2HD LYS 42 -0.160 -4.065 -13.612 322 HD3 LYS 42 1HD LYS 42 -1.520 -4.529 -12.589 323 HE2 LYS 42 2HE LYS 42 -2.735 -2.528 -13.301 324 HE3 LYS 42 1HE LYS 42 -1.374 -2.065 -14.321 325 HZ1 LYS 42 3HZ LYS 42 -3.011 -3.120 -15.664 326 HZ2 LYS 42 1HZ LYS 42 -3.097 -4.462 -14.627 327 HZ3 LYS 42 2HZ LYS 42 -1.694 -4.178 -15.535 328 H VAL 43 H VAL 43 -4.884 -3.282 -10.228 329 HA VAL 43 HA VAL 43 -4.802 -2.348 -7.456 330 HB VAL 43 HB VAL 43 -6.959 -2.112 -8.745 331 HG11 VAL 43 1HG1 VAL 43 -7.037 -5.096 -8.445 332 HG12 VAL 43 2HG1 VAL 43 -7.111 -4.160 -9.939 333 HG13 VAL 43 3HG1 VAL 43 -8.447 -4.092 -8.782 334 HG21 VAL 43 3HG2 VAL 43 -8.375 -2.761 -6.861 335 HG22 VAL 43 1HG2 VAL 43 -6.893 -1.967 -6.329 336 HG23 VAL 43 2HG2 VAL 43 -7.049 -3.718 -6.199 337 H MET 44 H MET 44 -4.250 -3.575 -5.840 338 HA MET 44 HA MET 44 -3.584 -6.391 -6.409 339 HB2 MET 44 2HB MET 44 -2.121 -4.465 -4.587 340 HB3 MET 44 1HB MET 44 -1.663 -6.131 -4.916 341 HG2 MET 44 2HG MET 44 -1.176 -5.599 -7.209 342 HG3 MET 44 1HG MET 44 -1.782 -3.959 -6.993 343 HE1 MET 44 3HE MET 44 2.037 -3.323 -7.459 344 HE2 MET 44 1HE MET 44 0.409 -2.958 -8.029 345 HE3 MET 44 2HE MET 44 1.087 -4.569 -8.269 346 H GLU 45 H GLU 45 -3.878 -7.866 -4.655 347 HA GLU 45 HA GLU 45 -5.904 -6.909 -2.802 348 HB2 GLU 45 2HB GLU 45 -6.408 -8.719 -4.464 349 HB3 GLU 45 1HB GLU 45 -5.259 -9.739 -3.612 350 HG2 GLU 45 2HG GLU 45 -6.575 -9.793 -1.696 351 HG3 GLU 45 1HG GLU 45 -7.613 -8.482 -2.256 352 H THR 46 H THR 46 -5.909 -7.786 -0.658 353 HA THR 46 HA THR 46 -3.168 -7.963 0.406 354 HB THR 46 HB THR 46 -4.081 -7.169 2.532 355 HG1 THR 46 1HG THR 46 -6.178 -7.054 2.875 356 HG21 THR 46 3HG2 THR 46 -4.619 -4.881 1.861 357 HG22 THR 46 1HG2 THR 46 -4.915 -5.426 0.209 358 HG23 THR 46 2HG2 THR 46 -3.292 -5.519 0.893 359 H ARG 47 H ARG 47 -2.843 -9.289 2.348 360 HA ARG 47 HA ARG 47 -3.532 -11.912 2.155 361 HB2 ARG 47 2HB ARG 47 -3.140 -11.907 4.732 362 HB3 ARG 47 1HB ARG 47 -1.832 -11.583 3.610 363 HG2 ARG 47 2HG ARG 47 -1.890 -9.270 4.055 364 HG3 ARG 47 1HG ARG 47 -3.428 -9.407 4.916 365 HD2 ARG 47 2HD ARG 47 -2.462 -10.247 6.794 366 HD3 ARG 47 1HD ARG 47 -1.171 -11.042 5.898 367 HE ARG 47 HE ARG 47 -0.138 -8.819 5.680 368 HH11 ARG 47 1HH1 ARG 47 -2.539 -9.239 8.189 369 HH12 ARG 47 2HH1 ARG 47 -1.825 -8.053 9.234 370 HH21 ARG 47 1HH2 ARG 47 0.814 -7.291 7.043 371 HH22 ARG 47 2HH2 ARG 47 0.078 -6.939 8.590 372 H ASP 48 H ASP 48 -5.483 -9.418 3.550 373 HA ASP 48 HA ASP 48 -7.163 -11.354 4.923 374 HB2 ASP 48 2HB ASP 48 -8.329 -9.376 5.835 375 HB3 ASP 48 1HB ASP 48 -6.594 -9.339 6.142 376 H GLY 49 H GLY 49 -7.255 -9.215 2.120 377 HA2 GLY 49 2HA GLY 49 -8.613 -10.364 0.329 378 HA3 GLY 49 1HA GLY 49 -9.910 -10.332 1.509 379 H THR 50 H THR 50 -7.771 -7.587 1.356 380 HA THR 50 HA THR 50 -10.020 -6.010 0.324 381 HB THR 50 HB THR 50 -7.549 -5.093 1.824 382 HG1 THR 50 1HG THR 50 -8.838 -6.243 3.245 383 HG21 THR 50 3HG2 THR 50 -8.755 -2.992 2.109 384 HG22 THR 50 1HG2 THR 50 -10.101 -3.624 1.161 385 HG23 THR 50 2HG2 THR 50 -8.535 -3.357 0.398 386 H LYS 51 H LYS 51 -9.393 -4.189 -1.183 387 HA LYS 51 HA LYS 51 -7.131 -5.047 -2.870 388 HB2 LYS 51 2HB LYS 51 -9.689 -3.725 -3.795 389 HB3 LYS 51 1HB LYS 51 -8.365 -4.253 -4.821 390 HG2 LYS 51 2HG LYS 51 -9.857 -5.974 -5.093 391 HG3 LYS 51 1HG LYS 51 -8.871 -6.594 -3.767 392 HD2 LYS 51 2HD LYS 51 -10.531 -5.855 -2.154 393 HD3 LYS 51 1HD LYS 51 -11.500 -5.147 -3.445 394 HE2 LYS 51 2HE LYS 51 -12.502 -7.223 -2.910 395 HE3 LYS 51 1HE LYS 51 -11.657 -7.456 -4.436 396 HZ1 LYS 51 3HZ LYS 51 -11.359 -9.285 -2.826 397 HZ2 LYS 51 1HZ LYS 51 -10.550 -8.217 -1.790 398 HZ3 LYS 51 2HZ LYS 51 -9.893 -8.584 -3.313 399 H ILE 52 H ILE 52 -5.702 -3.541 -3.559 400 HA ILE 52 HA ILE 52 -6.210 -0.702 -2.887 401 HB ILE 52 HB ILE 52 -3.988 -0.427 -2.033 402 HG12 ILE 52 2HG1 ILE 52 -3.433 -3.318 -2.761 403 HG13 ILE 52 1HG1 ILE 52 -2.848 -1.927 -3.664 404 HG21 ILE 52 1HG2 ILE 52 -3.944 -1.896 -0.102 405 HG22 ILE 52 2HG2 ILE 52 -5.036 -3.021 -0.911 406 HG23 ILE 52 3HG2 ILE 52 -5.601 -1.411 -0.465 407 HD11 ILE 52 3HD1 ILE 52 -1.587 -1.204 -1.684 408 HD12 ILE 52 1HD1 ILE 52 -1.105 -2.803 -2.254 409 HD13 ILE 52 2HD1 ILE 52 -2.135 -2.647 -0.832 410 H ILE 53 H ILE 53 -4.896 0.790 -4.258 411 HA ILE 53 HA ILE 53 -3.264 -0.322 -6.363 412 HB ILE 53 HB ILE 53 -5.157 -0.662 -7.681 413 HG12 ILE 53 2HG1 ILE 53 -4.011 2.051 -8.316 414 HG13 ILE 53 1HG1 ILE 53 -3.575 0.498 -9.013 415 HG21 ILE 53 1HG2 ILE 53 -6.854 0.364 -6.342 416 HG22 ILE 53 2HG2 ILE 53 -6.970 1.003 -7.982 417 HG23 ILE 53 3HG2 ILE 53 -6.233 1.975 -6.709 418 HD11 ILE 53 3HD1 ILE 53 -4.847 1.899 -10.557 419 HD12 ILE 53 1HD1 ILE 53 -6.197 1.917 -9.423 420 HD13 ILE 53 2HD1 ILE 53 -5.701 0.400 -10.174 421 H MET 54 H MET 54 -1.901 1.105 -7.295 422 HA MET 54 HA MET 54 -1.801 3.785 -6.114 423 HB2 MET 54 2HB MET 54 0.305 2.608 -6.062 424 HB3 MET 54 1HB MET 54 0.176 2.186 -7.764 425 HG2 MET 54 2HG MET 54 0.388 4.550 -8.358 426 HG3 MET 54 1HG MET 54 0.545 4.953 -6.647 427 HE1 MET 54 3HE MET 54 4.147 5.478 -8.224 428 HE2 MET 54 1HE MET 54 2.808 6.274 -7.397 429 HE3 MET 54 2HE MET 54 2.609 5.705 -9.055 430 H LYS 55 H LYS 55 -2.920 5.267 -7.168 431 HA LYS 55 HA LYS 55 -2.617 5.481 -10.054 432 HB2 LYS 55 2HB LYS 55 -4.679 4.139 -9.692 433 HB3 LYS 55 1HB LYS 55 -5.347 5.461 -8.746 434 HG2 LYS 55 2HG LYS 55 -6.206 5.386 -11.054 435 HG3 LYS 55 1HG LYS 55 -5.378 6.897 -10.678 436 HD2 LYS 55 2HD LYS 55 -3.390 6.135 -11.837 437 HD3 LYS 55 1HD LYS 55 -4.132 4.563 -12.130 438 HE2 LYS 55 2HE LYS 55 -5.755 5.518 -13.593 439 HE3 LYS 55 1HE LYS 55 -5.274 7.157 -13.149 440 HZ1 LYS 55 3HZ LYS 55 -4.409 6.342 -15.333 441 HZ2 LYS 55 1HZ LYS 55 -3.447 5.234 -14.484 442 HZ3 LYS 55 2HZ LYS 55 -3.219 6.905 -14.264 443 H GLY 56 H GLY 56 -2.333 7.521 -10.658 444 HA2 GLY 56 2HA GLY 56 -2.392 9.821 -10.630 445 HA3 GLY 56 1HA GLY 56 -3.580 9.732 -9.337 446 H ASN 57 H ASN 57 -0.301 8.413 -9.405 447 HA ASN 57 HA ASN 57 1.474 8.656 -8.001 448 HB2 ASN 57 2HB ASN 57 1.144 11.018 -9.132 449 HB3 ASN 57 1HB ASN 57 0.717 11.511 -7.498 450 HD21 ASN 57 1HD2 ASN 57 2.529 9.845 -6.081 451 HD22 ASN 57 2HD2 ASN 57 4.128 10.431 -6.397 452 H GLU 58 H GLU 58 -1.003 7.814 -6.889 453 HA GLU 58 HA GLU 58 -0.482 8.278 -4.071 454 HB2 GLU 58 2HB GLU 58 -3.177 8.833 -5.334 455 HB3 GLU 58 1HB GLU 58 -2.921 8.642 -3.609 456 HG2 GLU 58 2HG GLU 58 -1.324 10.587 -3.748 457 HG3 GLU 58 1HG GLU 58 -1.908 10.840 -5.393 458 H ILE 59 H ILE 59 -2.130 6.803 -2.804 459 HA ILE 59 HA ILE 59 -2.597 4.426 -4.449 460 HB ILE 59 HB ILE 59 -0.586 4.419 -2.741 461 HG12 ILE 59 2HG1 ILE 59 -2.493 2.087 -2.920 462 HG13 ILE 59 1HG1 ILE 59 -1.422 2.591 -4.225 463 HG21 ILE 59 1HG2 ILE 59 -1.201 3.408 -0.598 464 HG22 ILE 59 2HG2 ILE 59 -2.908 3.601 -1.001 465 HG23 ILE 59 3HG2 ILE 59 -1.890 5.025 -0.771 466 HD11 ILE 59 3HD1 ILE 59 -0.550 1.666 -1.499 467 HD12 ILE 59 1HD1 ILE 59 0.508 2.139 -2.829 468 HD13 ILE 59 2HD1 ILE 59 -0.515 0.711 -2.982 469 H PHE 60 H PHE 60 -4.487 3.523 -4.317 470 HA PHE 60 HA PHE 60 -6.432 4.447 -2.346 471 HB2 PHE 60 2HB PHE 60 -7.683 4.361 -4.227 472 HB3 PHE 60 1HB PHE 60 -6.527 3.332 -5.054 473 HD1 PHE 60 1HD PHE 60 -6.664 0.792 -4.629 474 HD2 PHE 60 2HD PHE 60 -9.682 3.526 -3.430 475 HE1 PHE 60 1HE PHE 60 -8.265 -1.072 -4.356 476 HE2 PHE 60 2HE PHE 60 -11.270 1.696 -3.163 477 HZ PHE 60 HZ PHE 60 -10.481 -0.719 -3.964 478 H ARG 61 H ARG 61 -6.948 3.325 -0.697 479 HA ARG 61 HA ARG 61 -7.041 0.468 -0.712 480 HB2 ARG 61 2HB ARG 61 -4.825 0.475 0.101 481 HB3 ARG 61 1HB ARG 61 -5.045 1.978 0.970 482 HG2 ARG 61 2HG ARG 61 -4.748 -0.012 2.416 483 HG3 ARG 61 1HG ARG 61 -6.237 0.877 2.718 484 HD2 ARG 61 2HD ARG 61 -7.538 -0.764 1.599 485 HD3 ARG 61 1HD ARG 61 -6.102 -1.555 0.955 486 HE ARG 61 HE ARG 61 -6.067 -2.801 2.848 487 HH11 ARG 61 1HH1 ARG 61 -7.481 0.289 3.715 488 HH12 ARG 61 2HH1 ARG 61 -7.857 -0.196 5.340 489 HH21 ARG 61 1HH2 ARG 61 -6.567 -3.436 4.979 490 HH22 ARG 61 2HH2 ARG 61 -7.358 -2.311 6.049 491 H LEU 62 H LEU 62 -9.329 0.676 -0.274 492 HA LEU 62 HA LEU 62 -11.112 1.020 1.002 493 HB2 LEU 62 2HB LEU 62 -9.036 1.648 2.976 494 HB3 LEU 62 1HB LEU 62 -10.545 2.507 3.208 495 HG LEU 62 HG LEU 62 -10.442 0.416 4.496 496 HD11 LEU 62 1HD1 LEU 62 -12.599 1.316 3.822 497 HD12 LEU 62 2HD1 LEU 62 -12.634 -0.448 3.777 498 HD13 LEU 62 3HD1 LEU 62 -12.490 0.471 2.278 499 HD21 LEU 62 3HD2 LEU 62 -10.507 -1.721 3.349 500 HD22 LEU 62 1HD2 LEU 62 -9.055 -0.837 2.867 501 HD23 LEU 62 2HD2 LEU 62 -10.445 -0.912 1.781 502 H ASP 63 H ASP 63 -8.827 3.711 1.016 503 HA ASP 63 HA ASP 63 -9.025 5.891 0.459 504 HB2 ASP 63 2HB ASP 63 -10.162 5.384 -1.567 505 HB3 ASP 63 1HB ASP 63 -11.636 4.963 -0.711 506 H GLU 64 H GLU 64 -12.129 4.732 1.574 507 HA GLU 64 HA GLU 64 -12.935 6.946 3.051 508 HB2 GLU 64 2HB GLU 64 -14.374 5.035 2.419 509 HB3 GLU 64 1HB GLU 64 -13.531 4.031 3.590 510 HG2 GLU 64 2HG GLU 64 -14.269 5.721 5.330 511 HG3 GLU 64 1HG GLU 64 -15.356 6.349 4.093 512 H ALA 65 H ALA 65 -10.839 4.270 3.927 513 HA ALA 65 HA ALA 65 -10.854 4.400 6.679 514 HB1 ALA 65 1HB ALA 65 -9.724 2.650 5.353 515 HB2 ALA 65 2HB ALA 65 -8.701 3.310 6.635 516 HB3 ALA 65 3HB ALA 65 -8.446 3.807 4.962 517 H LEU 66 H LEU 66 -8.401 5.946 4.601 518 HA LEU 66 HA LEU 66 -7.559 7.581 6.814 519 HB2 LEU 66 2HB LEU 66 -5.742 8.324 5.443 520 HB3 LEU 66 1HB LEU 66 -5.865 6.585 5.389 521 HG LEU 66 HG LEU 66 -5.234 7.384 3.236 522 HD11 LEU 66 1HD1 LEU 66 -8.140 6.690 2.984 523 HD12 LEU 66 2HD1 LEU 66 -6.861 5.514 3.291 524 HD13 LEU 66 3HD1 LEU 66 -6.861 6.447 1.796 525 HD21 LEU 66 3HD2 LEU 66 -7.593 9.209 3.451 526 HD22 LEU 66 1HD2 LEU 66 -6.719 8.917 1.941 527 HD23 LEU 66 2HD2 LEU 66 -5.890 9.644 3.319 528 H ARG 67 H ARG 67 -9.777 7.852 4.317 529 HA ARG 67 HA ARG 67 -9.782 10.675 3.984 530 HB2 ARG 67 2HB ARG 67 -10.805 9.129 2.382 531 HB3 ARG 67 1HB ARG 67 -11.965 8.624 3.597 532 HG2 ARG 67 2HG ARG 67 -12.952 10.838 3.604 533 HG3 ARG 67 1HG ARG 67 -11.761 11.385 2.421 534 HD2 ARG 67 2HD ARG 67 -12.569 9.592 0.890 535 HD3 ARG 67 1HD ARG 67 -13.845 9.248 2.052 536 HE ARG 67 HE ARG 67 -14.351 11.782 1.642 537 HH11 ARG 67 1HH1 ARG 67 -13.339 9.378 -0.693 538 HH12 ARG 67 2HH1 ARG 67 -14.202 10.105 -2.018 539 HH21 ARG 67 1HH2 ARG 67 -15.522 12.737 -0.096 540 HH22 ARG 67 2HH2 ARG 67 -15.441 12.008 -1.681 541 H LYS 68 H LYS 68 -12.219 8.623 5.565 542 HA LYS 68 HA LYS 68 -12.438 10.611 7.706 543 HB2 LYS 68 2HB LYS 68 -14.750 9.385 6.187 544 HB3 LYS 68 1HB LYS 68 -14.918 10.308 7.675 545 HG2 LYS 68 2HG LYS 68 -13.814 11.347 5.065 546 HG3 LYS 68 1HG LYS 68 -15.420 11.673 5.724 547 HD2 LYS 68 2HD LYS 68 -12.848 12.384 7.129 548 HD3 LYS 68 1HD LYS 68 -13.740 13.498 6.091 549 HE2 LYS 68 2HE LYS 68 -15.646 13.419 7.552 550 HE3 LYS 68 1HE LYS 68 -14.906 12.144 8.517 551 HZ1 LYS 68 3HZ LYS 68 -13.508 13.598 9.541 552 HZ2 LYS 68 1HZ LYS 68 -14.809 14.641 9.254 553 HZ3 LYS 68 2HZ LYS 68 -13.456 14.680 8.231 554 H GLY 69 H GLY 69 -11.765 9.558 9.404 555 HA2 GLY 69 2HA GLY 69 -12.793 7.656 10.896 556 HA3 GLY 69 1HA GLY 69 -12.122 6.667 9.601 557 H HIS 70 H HIS 70 -9.787 7.231 9.049 558 HA HIS 70 HA HIS 70 -8.164 7.027 11.372 559 HB2 HIS 70 2HB HIS 70 -7.517 6.052 9.208 560 HB3 HIS 70 1HB HIS 70 -7.400 7.660 8.509 561 HD1 HIS 70 1HD HIS 70 -5.682 5.400 10.989 562 HD2 HIS 70 2HD HIS 70 -5.000 8.950 8.927 563 HE1 HIS 70 1HE HIS 70 -3.247 5.943 11.347 564 HE2 HIS 70 2HE HIS 70 -2.907 8.185 10.237 565 H SER 71 H SER 71 -9.143 9.675 9.310 566 HA SER 71 HA SER 71 -7.340 11.548 10.559 567 HB2 SER 71 2HB SER 71 -9.577 11.985 8.561 568 HB3 SER 71 1HB SER 71 -8.420 13.212 9.078 569 HG SER 71 HG SER 71 -8.137 11.419 7.141 570 H GLU 72 H GLU 72 -10.032 10.124 11.666 571 HA GLU 72 HA GLU 72 -11.321 12.428 12.849 572 HB2 GLU 72 2HB GLU 72 -11.646 9.464 13.379 573 HB3 GLU 72 1HB GLU 72 -12.654 10.723 14.074 574 HG2 GLU 72 2HG GLU 72 -12.394 10.264 11.118 575 HG3 GLU 72 1HG GLU 72 -13.620 9.490 12.118 576 H GLY 73 H GLY 73 -10.004 9.512 14.384 577 HA2 GLY 73 2HA GLY 73 -8.157 11.010 16.003 578 HA3 GLY 73 1HA GLY 73 -9.554 10.424 16.899 579 H GLY 74 H GLY 74 -6.494 9.729 16.544 580 HA2 GLY 74 2HA GLY 74 -6.951 6.810 16.451 581 HA3 GLY 74 1HA GLY 74 -5.554 7.559 15.689 Start of MODEL 16 1 H1 VAL 1 1HT VAL 1 12.182 -2.087 3.589 2 H2 VAL 1 2HT VAL 1 13.776 -1.984 4.147 3 H3 VAL 1 3HT VAL 1 13.414 -1.565 2.547 4 HA VAL 1 HA VAL 1 13.724 0.436 3.736 5 HB VAL 1 HB VAL 1 11.560 1.531 3.505 6 HG11 VAL 1 2HG1 VAL 1 12.023 -0.539 1.362 7 HG12 VAL 1 3HG1 VAL 1 12.780 1.051 1.465 8 HG13 VAL 1 1HG1 VAL 1 11.043 0.918 1.182 9 HG21 VAL 1 1HG2 VAL 1 10.151 -0.127 4.592 10 HG22 VAL 1 2HG2 VAL 1 10.411 -1.246 3.255 11 HG23 VAL 1 3HG2 VAL 1 9.526 0.255 2.986 12 H ASP 2 H ASP 2 13.167 1.839 5.523 13 HA ASP 2 HA ASP 2 12.898 0.349 7.983 14 HB2 ASP 2 2HB ASP 2 13.474 3.214 7.321 15 HB3 ASP 2 1HB ASP 2 12.989 2.778 8.955 16 H MET 3 H MET 3 11.402 0.901 9.661 17 HA MET 3 HA MET 3 8.727 1.351 8.579 18 HB2 MET 3 2HB MET 3 9.620 0.493 11.338 19 HB3 MET 3 1HB MET 3 7.961 0.543 10.771 20 HG2 MET 3 2HG MET 3 10.097 -1.187 9.559 21 HG3 MET 3 1HG MET 3 8.999 -1.719 10.818 22 HE1 MET 3 3HE MET 3 9.699 -1.686 7.194 23 HE2 MET 3 1HE MET 3 9.059 -0.043 7.255 24 HE3 MET 3 2HE MET 3 8.185 -1.298 6.377 25 H SER 4 H SER 4 11.055 3.331 9.609 26 HA SER 4 HA SER 4 9.853 4.771 11.754 27 HB2 SER 4 2HB SER 4 11.992 5.829 9.911 28 HB3 SER 4 1HB SER 4 11.758 6.166 11.627 29 HG SER 4 HG SER 4 13.439 4.507 10.742 30 H ASN 5 H ASN 5 9.737 4.854 8.339 31 HA ASN 5 HA ASN 5 8.385 7.452 8.360 32 HB2 ASN 5 2HB ASN 5 9.136 7.576 5.947 33 HB3 ASN 5 1HB ASN 5 10.411 7.661 7.155 34 HD21 ASN 5 1HD2 ASN 5 8.878 4.608 6.410 35 HD22 ASN 5 2HD2 ASN 5 10.236 3.924 5.587 36 H VAL 6 H VAL 6 7.378 4.639 8.639 37 HA VAL 6 HA VAL 6 5.675 4.512 6.250 38 HB VAL 6 HB VAL 6 6.581 2.279 8.072 39 HG11 VAL 6 1HG1 VAL 6 4.287 1.894 7.415 40 HG12 VAL 6 2HG1 VAL 6 5.352 0.794 6.539 41 HG13 VAL 6 3HG1 VAL 6 4.692 2.214 5.730 42 HG21 VAL 6 3HG2 VAL 6 7.644 1.396 6.054 43 HG22 VAL 6 1HG2 VAL 6 8.274 2.988 6.480 44 HG23 VAL 6 2HG2 VAL 6 7.119 2.820 5.157 45 H VAL 7 H VAL 7 3.702 5.150 6.588 46 HA VAL 7 HA VAL 7 2.708 5.249 9.317 47 HB VAL 7 HB VAL 7 2.593 7.177 7.616 48 HG11 VAL 7 1HG1 VAL 7 0.474 7.271 6.341 49 HG12 VAL 7 2HG1 VAL 7 0.229 5.559 6.695 50 HG13 VAL 7 3HG1 VAL 7 1.623 6.077 5.741 51 HG21 VAL 7 3HG2 VAL 7 0.203 6.382 9.246 52 HG22 VAL 7 1HG2 VAL 7 0.543 8.008 8.648 53 HG23 VAL 7 2HG2 VAL 7 1.638 7.245 9.807 54 H LYS 8 H LYS 8 2.370 3.355 6.502 55 HA LYS 8 HA LYS 8 0.862 1.417 7.916 56 HB2 LYS 8 2HB LYS 8 -0.996 2.908 7.293 57 HB3 LYS 8 1HB LYS 8 -0.550 2.757 5.599 58 HG2 LYS 8 2HG LYS 8 -2.411 1.312 6.066 59 HG3 LYS 8 1HG LYS 8 -0.980 0.327 5.748 60 HD2 LYS 8 2HD LYS 8 -0.638 0.137 8.202 61 HD3 LYS 8 1HD LYS 8 -2.159 0.994 8.445 62 HE2 LYS 8 2HE LYS 8 -3.336 -0.781 7.224 63 HE3 LYS 8 1HE LYS 8 -1.811 -1.642 7.015 64 HZ1 LYS 8 3HZ LYS 8 -3.025 -2.550 8.872 65 HZ2 LYS 8 1HZ LYS 8 -3.133 -1.019 9.600 66 HZ3 LYS 8 2HZ LYS 8 -1.629 -1.774 9.444 67 H THR 9 H THR 9 1.403 -0.455 7.253 68 HA THR 9 HA THR 9 2.611 -0.778 4.592 69 HB THR 9 HB THR 9 2.898 -2.379 7.119 70 HG1 THR 9 1HG THR 9 4.413 -0.999 7.481 71 HG21 THR 9 3HG2 THR 9 4.223 -2.858 4.458 72 HG22 THR 9 1HG2 THR 9 2.995 -3.885 5.198 73 HG23 THR 9 2HG2 THR 9 4.580 -3.721 5.954 74 H TYR 10 H TYR 10 1.920 -2.434 3.265 75 HA TYR 10 HA TYR 10 -0.436 -3.939 4.142 76 HB2 TYR 10 2HB TYR 10 -0.018 -2.396 1.630 77 HB3 TYR 10 1HB TYR 10 -1.026 -3.847 1.601 78 HD1 TYR 10 2HD TYR 10 -2.844 -3.982 3.489 79 HD2 TYR 10 1HD TYR 10 -0.953 -0.407 2.196 80 HE1 TYR 10 2HE TYR 10 -4.736 -2.671 4.355 81 HE2 TYR 10 1HE TYR 10 -2.829 0.911 3.040 82 HH TYR 10 HH TYR 10 -5.239 0.567 3.532 83 H ASP 11 H ASP 11 -0.511 -5.947 3.823 84 HA ASP 11 HA ASP 11 1.866 -7.186 2.651 85 HB2 ASP 11 2HB ASP 11 0.470 -7.683 5.056 86 HB3 ASP 11 1HB ASP 11 0.158 -9.048 4.003 87 H LEU 12 H LEU 12 1.693 -8.147 0.847 88 HA LEU 12 HA LEU 12 -0.902 -8.415 -0.453 89 HB2 LEU 12 2HB LEU 12 1.858 -9.041 -1.526 90 HB3 LEU 12 1HB LEU 12 0.376 -9.034 -2.461 91 HG LEU 12 HG LEU 12 1.795 -6.663 -1.253 92 HD11 LEU 12 1HD1 LEU 12 1.852 -5.904 -3.587 93 HD12 LEU 12 2HD1 LEU 12 1.085 -7.412 -4.084 94 HD13 LEU 12 3HD1 LEU 12 2.694 -7.437 -3.364 95 HD21 LEU 12 3HD2 LEU 12 -0.611 -6.415 -0.905 96 HD22 LEU 12 1HD2 LEU 12 -0.891 -6.717 -2.618 97 HD23 LEU 12 2HD2 LEU 12 -0.010 -5.278 -2.110 98 H GLN 13 H GLN 13 -1.666 -10.445 -1.278 99 HA GLN 13 HA GLN 13 -1.311 -12.595 0.523 100 HB2 GLN 13 2HB GLN 13 -2.688 -12.330 -2.139 101 HB3 GLN 13 1HB GLN 13 -2.684 -13.838 -1.233 102 HG2 GLN 13 2HG GLN 13 -3.713 -12.662 0.662 103 HG3 GLN 13 1HG GLN 13 -3.764 -11.190 -0.301 104 HE21 GLN 13 1HE2 GLN 13 -5.996 -11.076 -0.125 105 HE22 GLN 13 2HE2 GLN 13 -7.046 -12.128 -1.015 106 H ASP 14 H ASP 14 0.572 -11.557 -1.969 107 HA ASP 14 HA ASP 14 1.629 -14.134 -2.798 108 HB2 ASP 14 2HB ASP 14 1.581 -12.571 -4.573 109 HB3 ASP 14 1HB ASP 14 2.179 -11.266 -3.555 110 H GLY 15 H GLY 15 2.129 -11.695 -0.495 111 HA2 GLY 15 2HA GLY 15 3.594 -12.192 1.393 112 HA3 GLY 15 1HA GLY 15 4.754 -12.823 0.240 113 H SER 16 H SER 16 4.075 -10.584 -1.610 114 HA SER 16 HA SER 16 6.186 -8.873 -0.835 115 HB2 SER 16 2HB SER 16 4.084 -8.481 -2.974 116 HB3 SER 16 1HB SER 16 5.583 -7.571 -2.830 117 HG SER 16 HG SER 16 5.183 -10.257 -3.602 118 H LYS 17 H LYS 17 6.004 -6.528 -0.519 119 HA LYS 17 HA LYS 17 3.618 -5.930 1.091 120 HB2 LYS 17 2HB LYS 17 6.446 -5.124 1.764 121 HB3 LYS 17 1HB LYS 17 5.018 -4.974 2.784 122 HG2 LYS 17 2HG LYS 17 4.853 -7.485 2.717 123 HG3 LYS 17 1HG LYS 17 6.449 -7.481 1.957 124 HD2 LYS 17 2HD LYS 17 7.373 -6.325 3.884 125 HD3 LYS 17 1HD LYS 17 5.776 -6.294 4.643 126 HE2 LYS 17 2HE LYS 17 7.488 -8.690 4.025 127 HE3 LYS 17 1HE LYS 17 6.953 -8.121 5.604 128 HZ1 LYS 17 3HZ LYS 17 4.643 -8.645 4.917 129 HZ2 LYS 17 1HZ LYS 17 5.653 -10.013 4.958 130 HZ3 LYS 17 2HZ LYS 17 5.246 -9.304 3.479 131 H VAL 18 H VAL 18 2.899 -3.884 1.170 132 HA VAL 18 HA VAL 18 4.231 -1.859 -0.523 133 HB VAL 18 HB VAL 18 1.265 -2.281 -0.003 134 HG11 VAL 18 1HG1 VAL 18 0.906 -0.352 -1.530 135 HG12 VAL 18 2HG1 VAL 18 2.640 -0.035 -1.488 136 HG13 VAL 18 3HG1 VAL 18 1.683 0.101 -0.010 137 HG21 VAL 18 3HG2 VAL 18 1.113 -2.593 -2.433 138 HG22 VAL 18 1HG2 VAL 18 2.180 -3.783 -1.686 139 HG23 VAL 18 2HG2 VAL 18 2.860 -2.414 -2.561 140 H HIS 19 H HIS 19 4.363 0.247 0.405 141 HA HIS 19 HA HIS 19 3.089 0.546 3.040 142 HB2 HIS 19 2HB HIS 19 5.766 1.805 2.518 143 HB3 HIS 19 1HB HIS 19 4.957 1.542 4.052 144 HD1 HIS 19 1HD HIS 19 5.352 -0.733 5.215 145 HD2 HIS 19 2HD HIS 19 7.116 -0.347 1.496 146 HE1 HIS 19 1HE HIS 19 6.946 -2.670 5.025 147 HE2 HIS 19 2HE HIS 19 8.091 -2.377 2.799 148 H VAL 20 H VAL 20 2.034 2.391 3.292 149 HA VAL 20 HA VAL 20 2.502 4.538 1.355 150 HB VAL 20 HB VAL 20 0.405 4.384 3.536 151 HG11 VAL 20 1HG1 VAL 20 0.730 6.299 1.219 152 HG12 VAL 20 2HG1 VAL 20 0.982 6.677 2.924 153 HG13 VAL 20 3HG1 VAL 20 -0.632 6.267 2.340 154 HG21 VAL 20 3HG2 VAL 20 0.062 3.962 0.567 155 HG22 VAL 20 1HG2 VAL 20 -1.186 3.834 1.804 156 HG23 VAL 20 2HG2 VAL 20 0.134 2.662 1.756 157 H PHE 21 H PHE 21 4.062 5.844 1.874 158 HA PHE 21 HA PHE 21 5.231 5.690 4.496 159 HB2 PHE 21 2HB PHE 21 6.007 7.085 1.938 160 HB3 PHE 21 1HB PHE 21 6.925 7.272 3.428 161 HD1 PHE 21 1HD PHE 21 5.885 4.798 0.828 162 HD2 PHE 21 2HD PHE 21 8.398 5.599 4.180 163 HE1 PHE 21 1HE PHE 21 7.183 2.780 0.346 164 HE2 PHE 21 2HE PHE 21 9.694 3.571 3.689 165 HZ PHE 21 HZ PHE 21 9.085 2.157 1.770 166 H LYS 22 H LYS 22 5.777 7.560 5.767 167 HA LYS 22 HA LYS 22 3.526 9.233 6.240 168 HB2 LYS 22 2HB LYS 22 6.341 9.186 7.334 169 HB3 LYS 22 1HB LYS 22 5.108 10.293 7.922 170 HG2 LYS 22 2HG LYS 22 3.855 8.592 8.880 171 HG3 LYS 22 1HG LYS 22 4.604 7.348 7.880 172 HD2 LYS 22 2HD LYS 22 5.327 7.293 10.255 173 HD3 LYS 22 1HD LYS 22 6.652 7.499 9.110 174 HE2 LYS 22 2HE LYS 22 6.731 9.874 9.583 175 HE3 LYS 22 1HE LYS 22 5.342 9.729 10.662 176 HZ1 LYS 22 3HZ LYS 22 6.650 8.283 12.091 177 HZ2 LYS 22 1HZ LYS 22 7.419 9.785 11.899 178 HZ3 LYS 22 2HZ LYS 22 7.983 8.424 11.055 179 H ASP 23 H ASP 23 6.284 9.453 4.302 180 HA ASP 23 HA ASP 23 6.375 12.299 4.011 181 HB2 ASP 23 2HB ASP 23 8.385 10.821 3.812 182 HB3 ASP 23 1HB ASP 23 7.679 10.108 2.370 183 H GLY 24 H GLY 24 4.405 9.874 3.053 184 HA2 GLY 24 2HA GLY 24 2.500 10.113 1.806 185 HA3 GLY 24 1HA GLY 24 3.182 11.551 1.089 186 H LYS 25 H LYS 25 5.485 9.206 0.926 187 HA LYS 25 HA LYS 25 4.899 8.587 -1.829 188 HB2 LYS 25 2HB LYS 25 7.191 7.863 -0.025 189 HB3 LYS 25 1HB LYS 25 7.042 7.298 -1.686 190 HG2 LYS 25 2HG LYS 25 6.966 9.646 -2.431 191 HG3 LYS 25 1HG LYS 25 7.250 10.133 -0.764 192 HD2 LYS 25 2HD LYS 25 9.059 8.366 -2.378 193 HD3 LYS 25 1HD LYS 25 9.312 10.092 -2.125 194 HE2 LYS 25 2HE LYS 25 9.531 9.743 0.263 195 HE3 LYS 25 1HE LYS 25 9.167 8.029 0.073 196 HZ1 LYS 25 3HZ LYS 25 11.187 7.722 -1.144 197 HZ2 LYS 25 1HZ LYS 25 11.565 8.515 0.310 198 HZ3 LYS 25 2HZ LYS 25 11.510 9.385 -1.151 199 H MET 26 H MET 26 5.469 6.237 -2.400 200 HA MET 26 HA MET 26 4.374 4.324 -0.497 201 HB2 MET 26 2HB MET 26 3.363 4.686 -3.322 202 HB3 MET 26 1HB MET 26 3.063 3.245 -2.363 203 HG2 MET 26 2HG MET 26 1.142 4.398 -1.973 204 HG3 MET 26 1HG MET 26 2.125 4.971 -0.631 205 HE1 MET 26 3HE MET 26 0.345 5.854 -3.970 206 HE2 MET 26 1HE MET 26 2.036 5.860 -4.472 207 HE3 MET 26 2HE MET 26 1.119 7.369 -4.438 208 H GLY 27 H GLY 27 5.262 2.300 -0.670 209 HA2 GLY 27 2HA GLY 27 7.238 1.913 -2.808 210 HA3 GLY 27 1HA GLY 27 7.769 1.838 -1.137 211 H MET 28 H MET 28 7.874 -0.225 -3.160 212 HA MET 28 HA MET 28 6.100 -2.212 -1.915 213 HB2 MET 28 2HB MET 28 5.452 -1.673 -4.245 214 HB3 MET 28 1HB MET 28 7.054 -2.152 -4.785 215 HG2 MET 28 2HG MET 28 6.627 -4.428 -3.944 216 HG3 MET 28 1HG MET 28 4.996 -3.930 -3.496 217 HE1 MET 28 3HE MET 28 5.570 -6.449 -5.338 218 HE2 MET 28 1HE MET 28 4.342 -6.228 -6.585 219 HE3 MET 28 2HE MET 28 3.951 -5.908 -4.896 220 H GLU 29 H GLU 29 6.952 -4.134 -1.357 221 HA GLU 29 HA GLU 29 9.761 -4.705 -2.039 222 HB2 GLU 29 2HB GLU 29 8.445 -4.884 0.689 223 HB3 GLU 29 1HB GLU 29 9.897 -5.793 0.280 224 HG2 GLU 29 2HG GLU 29 11.173 -3.852 -0.000 225 HG3 GLU 29 1HG GLU 29 9.750 -2.813 -0.023 226 H ASN 30 H ASN 30 10.181 -7.009 -2.220 227 HA ASN 30 HA ASN 30 7.771 -8.463 -2.926 228 HB2 ASN 30 2HB ASN 30 9.174 -10.107 -3.930 229 HB3 ASN 30 1HB ASN 30 9.894 -8.549 -4.316 230 HD21 ASN 30 1HD2 ASN 30 11.143 -11.121 -4.320 231 HD22 ASN 30 2HD2 ASN 30 12.442 -11.052 -3.175 232 H LYS 31 H LYS 31 7.471 -10.702 -2.156 233 HA LYS 31 HA LYS 31 7.239 -11.133 0.502 234 HB2 LYS 31 2HB LYS 31 7.391 -13.627 -0.152 235 HB3 LYS 31 1HB LYS 31 6.133 -12.619 -0.854 236 HG2 LYS 31 2HG LYS 31 7.502 -12.338 -2.866 237 HG3 LYS 31 1HG LYS 31 8.721 -13.404 -2.166 238 HD2 LYS 31 2HD LYS 31 7.230 -15.254 -2.192 239 HD3 LYS 31 1HD LYS 31 5.856 -14.219 -2.592 240 HE2 LYS 31 2HE LYS 31 8.264 -14.594 -4.362 241 HE3 LYS 31 1HE LYS 31 6.780 -15.537 -4.515 242 HZ1 LYS 31 3HZ LYS 31 6.979 -12.586 -4.765 243 HZ2 LYS 31 1HZ LYS 31 5.559 -13.493 -4.931 244 HZ3 LYS 31 2HZ LYS 31 6.823 -13.661 -6.056 245 H PHE 32 H PHE 32 10.228 -10.618 -0.683 246 HA PHE 32 HA PHE 32 11.457 -12.287 1.408 247 HB2 PHE 32 2HB PHE 32 12.672 -11.508 -1.250 248 HB3 PHE 32 1HB PHE 32 13.513 -12.369 0.035 249 HD1 PHE 32 1HD PHE 32 12.775 -14.657 0.660 250 HD2 PHE 32 2HD PHE 32 11.216 -12.617 -2.724 251 HE1 PHE 32 1HE PHE 32 11.928 -16.788 -0.228 252 HE2 PHE 32 2HE PHE 32 10.360 -14.735 -3.619 253 HZ PHE 32 HZ PHE 32 10.713 -16.829 -2.371 254 H GLY 33 H GLY 33 10.601 -9.212 0.703 255 HA2 GLY 33 2HA GLY 33 11.100 -7.345 1.970 256 HA3 GLY 33 1HA GLY 33 12.440 -8.225 2.681 257 H LYS 34 H LYS 34 12.159 -8.055 -0.758 258 HA LYS 34 HA LYS 34 14.439 -6.211 -0.806 259 HB2 LYS 34 2HB LYS 34 13.306 -7.910 -3.030 260 HB3 LYS 34 1HB LYS 34 14.763 -6.925 -3.122 261 HG2 LYS 34 2HG LYS 34 14.490 -9.001 -1.023 262 HG3 LYS 34 1HG LYS 34 14.958 -9.468 -2.659 263 HD2 LYS 34 2HD LYS 34 16.379 -7.395 -0.984 264 HD3 LYS 34 1HD LYS 34 16.870 -9.085 -1.093 265 HE2 LYS 34 2HE LYS 34 17.108 -8.791 -3.552 266 HE3 LYS 34 1HE LYS 34 16.769 -7.074 -3.338 267 HZ1 LYS 34 3HZ LYS 34 18.715 -6.906 -1.909 268 HZ2 LYS 34 1HZ LYS 34 19.142 -7.492 -3.442 269 HZ3 LYS 34 2HZ LYS 34 19.046 -8.558 -2.133 270 H SER 35 H SER 35 14.353 -4.307 -1.581 271 HA SER 35 HA SER 35 11.733 -3.152 -1.851 272 HB2 SER 35 2HB SER 35 13.092 -0.986 -1.927 273 HB3 SER 35 1HB SER 35 13.168 -1.951 -0.453 274 HG SER 35 HG SER 35 15.151 -1.316 -2.234 275 H MET 36 H MET 36 10.709 -2.580 -3.605 276 HA MET 36 HA MET 36 12.222 -2.176 -6.102 277 HB2 MET 36 2HB MET 36 9.528 -3.536 -5.819 278 HB3 MET 36 1HB MET 36 10.354 -3.206 -7.335 279 HG2 MET 36 2HG MET 36 12.188 -4.682 -6.639 280 HG3 MET 36 1HG MET 36 11.313 -5.043 -5.152 281 HE1 MET 36 3HE MET 36 8.155 -6.926 -6.498 282 HE2 MET 36 1HE MET 36 8.276 -5.184 -6.252 283 HE3 MET 36 2HE MET 36 8.985 -6.292 -5.077 284 H ASN 37 H ASN 37 10.267 -1.247 -7.734 285 HA ASN 37 HA ASN 37 9.384 1.188 -6.350 286 HB2 ASN 37 2HB ASN 37 9.774 0.527 -9.264 287 HB3 ASN 37 1HB ASN 37 8.847 1.934 -8.759 288 HD21 ASN 37 1HD2 ASN 37 11.695 0.693 -7.116 289 HD22 ASN 37 2HD2 ASN 37 12.709 2.047 -7.464 290 H MET 38 H MET 38 7.223 2.012 -6.792 291 HA MET 38 HA MET 38 5.321 -0.149 -6.487 292 HB2 MET 38 2HB MET 38 5.244 1.806 -4.993 293 HB3 MET 38 1HB MET 38 4.931 2.849 -6.372 294 HG2 MET 38 2HG MET 38 2.880 2.444 -5.213 295 HG3 MET 38 1HG MET 38 2.827 1.629 -6.775 296 HE1 MET 38 3HE MET 38 0.760 0.194 -5.998 297 HE2 MET 38 1HE MET 38 0.779 0.999 -4.427 298 HE3 MET 38 2HE MET 38 0.724 -0.763 -4.514 299 HA PRO 39 HA PRO 39 4.184 0.123 -10.778 300 HB2 PRO 39 2HB PRO 39 2.477 -1.960 -10.804 301 HB3 PRO 39 1HB PRO 39 4.229 -2.167 -10.744 302 HG2 PRO 39 2HG PRO 39 2.217 -2.389 -8.554 303 HG3 PRO 39 1HG PRO 39 3.679 -3.349 -8.835 304 HD2 PRO 39 2HD PRO 39 3.472 -1.266 -7.021 305 HD3 PRO 39 1HD PRO 39 4.994 -1.875 -7.698 306 H GLU 40 H GLU 40 2.891 1.679 -11.438 307 HA GLU 40 HA GLU 40 0.396 2.229 -10.062 308 HB2 GLU 40 2HB GLU 40 1.903 4.091 -10.685 309 HB3 GLU 40 1HB GLU 40 1.694 3.679 -12.383 310 HG2 GLU 40 2HG GLU 40 -0.669 4.196 -12.241 311 HG3 GLU 40 1HG GLU 40 -0.507 4.545 -10.522 312 H GLY 41 H GLY 41 -1.626 1.950 -10.887 313 HA2 GLY 41 2HA GLY 41 -3.112 1.808 -12.790 314 HA3 GLY 41 1HA GLY 41 -1.842 0.966 -13.660 315 H LYS 42 H LYS 42 -1.621 -0.421 -10.766 316 HA LYS 42 HA LYS 42 -3.438 -2.582 -11.604 317 HB2 LYS 42 2HB LYS 42 -0.919 -2.719 -9.956 318 HB3 LYS 42 1HB LYS 42 -1.945 -4.088 -10.350 319 HG2 LYS 42 2HG LYS 42 -1.483 -3.683 -12.751 320 HG3 LYS 42 1HG LYS 42 -0.349 -2.417 -12.281 321 HD2 LYS 42 2HD LYS 42 0.838 -4.494 -12.720 322 HD3 LYS 42 1HD LYS 42 0.951 -4.073 -11.008 323 HE2 LYS 42 2HE LYS 42 0.512 -6.435 -11.226 324 HE3 LYS 42 1HE LYS 42 -0.903 -5.637 -10.543 325 HZ1 LYS 42 3HZ LYS 42 -1.891 -5.639 -12.781 326 HZ2 LYS 42 1HZ LYS 42 -1.580 -7.205 -12.206 327 HZ3 LYS 42 2HZ LYS 42 -0.554 -6.508 -13.360 328 H VAL 43 H VAL 43 -5.054 -3.173 -10.314 329 HA VAL 43 HA VAL 43 -4.945 -2.376 -7.499 330 HB VAL 43 HB VAL 43 -7.017 -1.710 -8.627 331 HG11 VAL 43 1HG1 VAL 43 -7.224 -3.393 -10.328 332 HG12 VAL 43 2HG1 VAL 43 -8.669 -3.407 -9.312 333 HG13 VAL 43 3HG1 VAL 43 -7.433 -4.648 -9.108 334 HG21 VAL 43 3HG2 VAL 43 -8.625 -2.687 -7.049 335 HG22 VAL 43 1HG2 VAL 43 -7.124 -2.193 -6.261 336 HG23 VAL 43 2HG2 VAL 43 -7.424 -3.897 -6.598 337 H MET 44 H MET 44 -4.798 -3.830 -5.913 338 HA MET 44 HA MET 44 -4.689 -6.675 -6.628 339 HB2 MET 44 2HB MET 44 -2.507 -5.105 -5.245 340 HB3 MET 44 1HB MET 44 -2.593 -6.861 -5.245 341 HG2 MET 44 2HG MET 44 -2.341 -6.910 -7.649 342 HG3 MET 44 1HG MET 44 -2.379 -5.149 -7.716 343 HE1 MET 44 3HE MET 44 -0.462 -3.587 -6.743 344 HE2 MET 44 1HE MET 44 0.953 -4.200 -5.885 345 HE3 MET 44 2HE MET 44 -0.650 -4.362 -5.170 346 H GLU 45 H GLU 45 -4.344 -7.985 -4.514 347 HA GLU 45 HA GLU 45 -6.087 -6.762 -2.509 348 HB2 GLU 45 2HB GLU 45 -5.642 -9.631 -3.256 349 HB3 GLU 45 1HB GLU 45 -6.323 -9.196 -1.696 350 HG2 GLU 45 2HG GLU 45 -8.174 -9.621 -2.994 351 HG3 GLU 45 1HG GLU 45 -8.041 -7.864 -3.050 352 H THR 46 H THR 46 -5.817 -7.434 -0.380 353 HA THR 46 HA THR 46 -2.996 -7.735 0.436 354 HB THR 46 HB THR 46 -3.552 -6.720 2.559 355 HG1 THR 46 1HG THR 46 -5.577 -6.396 3.212 356 HG21 THR 46 3HG2 THR 46 -4.187 -4.470 1.839 357 HG22 THR 46 1HG2 THR 46 -4.748 -5.113 0.297 358 HG23 THR 46 2HG2 THR 46 -3.035 -5.188 0.714 359 H ARG 47 H ARG 47 -2.622 -9.077 2.369 360 HA ARG 47 HA ARG 47 -3.750 -11.588 2.299 361 HB2 ARG 47 2HB ARG 47 -2.289 -10.070 4.427 362 HB3 ARG 47 1HB ARG 47 -2.823 -11.722 4.696 363 HG2 ARG 47 2HG ARG 47 -1.491 -12.491 2.836 364 HG3 ARG 47 1HG ARG 47 -1.074 -10.830 2.411 365 HD2 ARG 47 2HD ARG 47 0.785 -11.791 3.534 366 HD3 ARG 47 1HD ARG 47 0.043 -10.613 4.604 367 HE ARG 47 HE ARG 47 -1.008 -13.136 5.210 368 HH11 ARG 47 1HH1 ARG 47 2.011 -11.355 5.337 369 HH12 ARG 47 2HH1 ARG 47 2.608 -12.215 6.730 370 HH21 ARG 47 1HH2 ARG 47 -0.210 -14.284 7.048 371 HH22 ARG 47 2HH2 ARG 47 1.356 -13.873 7.692 372 H ASP 48 H ASP 48 -5.041 -8.732 3.746 373 HA ASP 48 HA ASP 48 -6.816 -10.304 5.460 374 HB2 ASP 48 2HB ASP 48 -7.261 -8.302 6.675 375 HB3 ASP 48 1HB ASP 48 -5.523 -8.373 6.399 376 H GLY 49 H GLY 49 -6.798 -9.041 2.394 377 HA2 GLY 49 2HA GLY 49 -8.605 -9.537 0.940 378 HA3 GLY 49 1HA GLY 49 -9.705 -9.398 2.302 379 H THR 50 H THR 50 -7.311 -6.924 1.850 380 HA THR 50 HA THR 50 -9.416 -5.044 1.134 381 HB THR 50 HB THR 50 -6.554 -4.669 2.038 382 HG1 THR 50 1HG THR 50 -7.801 -5.240 3.767 383 HG21 THR 50 3HG2 THR 50 -7.063 -2.282 2.208 384 HG22 THR 50 1HG2 THR 50 -8.651 -2.566 1.496 385 HG23 THR 50 2HG2 THR 50 -7.194 -2.845 0.543 386 H LYS 51 H LYS 51 -9.489 -3.999 -0.799 387 HA LYS 51 HA LYS 51 -7.517 -4.802 -2.821 388 HB2 LYS 51 2HB LYS 51 -10.280 -3.615 -3.072 389 HB3 LYS 51 1HB LYS 51 -9.180 -3.791 -4.434 390 HG2 LYS 51 2HG LYS 51 -9.159 -6.192 -4.153 391 HG3 LYS 51 1HG LYS 51 -10.181 -6.054 -2.721 392 HD2 LYS 51 2HD LYS 51 -12.010 -5.237 -4.015 393 HD3 LYS 51 1HD LYS 51 -10.995 -5.071 -5.448 394 HE2 LYS 51 2HE LYS 51 -11.557 -7.697 -4.085 395 HE3 LYS 51 1HE LYS 51 -12.504 -7.071 -5.435 396 HZ1 LYS 51 3HZ LYS 51 -10.451 -7.029 -6.761 397 HZ2 LYS 51 1HZ LYS 51 -10.844 -8.594 -6.236 398 HZ3 LYS 51 2HZ LYS 51 -9.597 -7.724 -5.475 399 H ILE 52 H ILE 52 -6.067 -3.414 -3.570 400 HA ILE 52 HA ILE 52 -6.447 -0.538 -3.048 401 HB ILE 52 HB ILE 52 -4.202 -0.298 -2.222 402 HG12 ILE 52 2HG1 ILE 52 -3.827 -3.262 -2.737 403 HG13 ILE 52 1HG1 ILE 52 -3.126 -1.966 -3.702 404 HG21 ILE 52 1HG2 ILE 52 -4.278 -1.537 -0.163 405 HG22 ILE 52 2HG2 ILE 52 -5.341 -2.745 -0.880 406 HG23 ILE 52 3HG2 ILE 52 -5.927 -1.106 -0.620 407 HD11 ILE 52 3HD1 ILE 52 -2.529 -2.572 -0.817 408 HD12 ILE 52 1HD1 ILE 52 -1.863 -1.217 -1.730 409 HD13 ILE 52 2HD1 ILE 52 -1.479 -2.871 -2.202 410 H ILE 53 H ILE 53 -5.218 0.842 -4.472 411 HA ILE 53 HA ILE 53 -3.499 -0.279 -6.487 412 HB ILE 53 HB ILE 53 -5.339 -0.706 -7.854 413 HG12 ILE 53 2HG1 ILE 53 -4.423 2.099 -8.515 414 HG13 ILE 53 1HG1 ILE 53 -3.742 0.590 -9.109 415 HG21 ILE 53 1HG2 ILE 53 -7.217 0.903 -8.191 416 HG22 ILE 53 2HG2 ILE 53 -6.558 1.858 -6.863 417 HG23 ILE 53 3HG2 ILE 53 -7.117 0.208 -6.574 418 HD11 ILE 53 3HD1 ILE 53 -6.495 1.631 -9.744 419 HD12 ILE 53 1HD1 ILE 53 -5.756 0.166 -10.393 420 HD13 ILE 53 2HD1 ILE 53 -5.079 1.749 -10.792 421 H MET 54 H MET 54 -2.256 1.260 -7.555 422 HA MET 54 HA MET 54 -2.440 4.001 -6.482 423 HB2 MET 54 2HB MET 54 -0.298 3.011 -5.897 424 HB3 MET 54 1HB MET 54 -0.051 2.469 -7.553 425 HG2 MET 54 2HG MET 54 0.059 4.801 -8.290 426 HG3 MET 54 1HG MET 54 -0.156 5.330 -6.622 427 HE1 MET 54 3HE MET 54 2.265 6.108 -8.685 428 HE2 MET 54 1HE MET 54 3.625 6.115 -7.563 429 HE3 MET 54 2HE MET 54 2.083 6.827 -7.086 430 H LYS 55 H LYS 55 -3.237 5.375 -7.897 431 HA LYS 55 HA LYS 55 -2.516 5.142 -10.712 432 HB2 LYS 55 2HB LYS 55 -4.753 3.945 -10.204 433 HB3 LYS 55 1HB LYS 55 -5.401 5.561 -9.960 434 HG2 LYS 55 2HG LYS 55 -5.885 4.853 -12.197 435 HG3 LYS 55 1HG LYS 55 -4.689 6.150 -12.256 436 HD2 LYS 55 2HD LYS 55 -2.907 4.519 -12.558 437 HD3 LYS 55 1HD LYS 55 -4.071 3.200 -12.430 438 HE2 LYS 55 2HE LYS 55 -3.582 3.540 -14.744 439 HE3 LYS 55 1HE LYS 55 -5.223 4.107 -14.443 440 HZ1 LYS 55 3HZ LYS 55 -2.843 5.880 -14.549 441 HZ2 LYS 55 1HZ LYS 55 -4.468 6.361 -14.468 442 HZ3 LYS 55 2HZ LYS 55 -3.872 5.597 -15.864 443 H GLY 56 H GLY 56 -2.297 7.103 -11.676 444 HA2 GLY 56 2HA GLY 56 -2.000 9.372 -11.807 445 HA3 GLY 56 1HA GLY 56 -3.441 9.519 -10.813 446 H ASN 57 H ASN 57 -0.493 7.876 -9.820 447 HA ASN 57 HA ASN 57 0.926 8.185 -8.079 448 HB2 ASN 57 2HB ASN 57 0.389 11.041 -8.838 449 HB3 ASN 57 1HB ASN 57 1.402 10.657 -7.450 450 HD21 ASN 57 1HD2 ASN 57 1.306 8.557 -10.221 451 HD22 ASN 57 2HD2 ASN 57 2.888 8.945 -10.813 452 H GLU 58 H GLU 58 -2.072 8.122 -7.733 453 HA GLU 58 HA GLU 58 -2.073 8.858 -4.871 454 HB2 GLU 58 2HB GLU 58 -4.385 8.836 -6.821 455 HB3 GLU 58 1HB GLU 58 -4.573 8.986 -5.081 456 HG2 GLU 58 2HG GLU 58 -3.186 11.054 -5.174 457 HG3 GLU 58 1HG GLU 58 -3.208 10.924 -6.933 458 H ILE 59 H ILE 59 -3.101 7.353 -3.463 459 HA ILE 59 HA ILE 59 -3.447 4.734 -4.727 460 HB ILE 59 HB ILE 59 -1.900 5.507 -2.407 461 HG12 ILE 59 2HG1 ILE 59 -2.162 3.017 -4.094 462 HG13 ILE 59 1HG1 ILE 59 -0.981 4.309 -4.278 463 HG21 ILE 59 1HG2 ILE 59 -2.440 3.573 -0.999 464 HG22 ILE 59 2HG2 ILE 59 -3.816 3.209 -2.041 465 HG23 ILE 59 3HG2 ILE 59 -3.785 4.708 -1.113 466 HD11 ILE 59 3HD1 ILE 59 -1.164 2.383 -1.977 467 HD12 ILE 59 1HD1 ILE 59 0.013 3.688 -2.137 468 HD13 ILE 59 2HD1 ILE 59 0.019 2.349 -3.285 469 H PHE 60 H PHE 60 -5.340 3.878 -4.726 470 HA PHE 60 HA PHE 60 -7.337 4.632 -2.716 471 HB2 PHE 60 2HB PHE 60 -8.652 4.479 -4.544 472 HB3 PHE 60 1HB PHE 60 -7.437 3.600 -5.460 473 HD1 PHE 60 1HD PHE 60 -7.240 1.089 -4.996 474 HD2 PHE 60 2HD PHE 60 -10.602 3.406 -3.825 475 HE1 PHE 60 1HE PHE 60 -8.594 -0.949 -4.922 476 HE2 PHE 60 2HE PHE 60 -11.972 1.355 -3.732 477 HZ PHE 60 HZ PHE 60 -10.956 -0.833 -4.296 478 H ARG 61 H ARG 61 -7.705 3.409 -1.074 479 HA ARG 61 HA ARG 61 -7.434 0.554 -1.156 480 HB2 ARG 61 2HB ARG 61 -6.045 0.505 0.954 481 HB3 ARG 61 1HB ARG 61 -5.160 1.041 -0.466 482 HG2 ARG 61 2HG ARG 61 -4.914 3.170 0.319 483 HG3 ARG 61 1HG ARG 61 -6.408 3.114 1.258 484 HD2 ARG 61 2HD ARG 61 -5.319 1.568 2.839 485 HD3 ARG 61 1HD ARG 61 -3.822 1.715 1.923 486 HE ARG 61 HE ARG 61 -3.943 4.161 2.510 487 HH11 ARG 61 1HH1 ARG 61 -5.450 1.713 4.519 488 HH12 ARG 61 2HH1 ARG 61 -5.331 2.648 5.983 489 HH21 ARG 61 1HH2 ARG 61 -3.729 5.373 4.444 490 HH22 ARG 61 2HH2 ARG 61 -4.350 4.730 5.938 491 H LEU 62 H LEU 62 -9.778 0.565 -0.706 492 HA LEU 62 HA LEU 62 -11.397 0.308 0.824 493 HB2 LEU 62 2HB LEU 62 -9.215 0.841 2.585 494 HB3 LEU 62 1HB LEU 62 -10.569 1.846 3.065 495 HG LEU 62 HG LEU 62 -10.447 -0.334 4.242 496 HD11 LEU 62 1HD1 LEU 62 -12.819 -0.876 4.001 497 HD12 LEU 62 2HD1 LEU 62 -12.888 0.070 2.514 498 HD13 LEU 62 3HD1 LEU 62 -12.562 0.868 4.052 499 HD21 LEU 62 3HD2 LEU 62 -9.584 -1.674 2.401 500 HD22 LEU 62 1HD2 LEU 62 -11.087 -1.440 1.508 501 HD23 LEU 62 2HD2 LEU 62 -11.091 -2.358 3.016 502 H ASP 63 H ASP 63 -9.597 3.315 0.754 503 HA ASP 63 HA ASP 63 -10.115 5.408 0.150 504 HB2 ASP 63 2HB ASP 63 -11.288 4.871 -1.752 505 HB3 ASP 63 1HB ASP 63 -12.530 4.002 -0.868 506 H GLU 64 H GLU 64 -12.235 3.710 2.224 507 HA GLU 64 HA GLU 64 -13.137 6.108 3.590 508 HB2 GLU 64 2HB GLU 64 -13.511 3.191 4.302 509 HB3 GLU 64 1HB GLU 64 -14.340 4.551 5.045 510 HG2 GLU 64 2HG GLU 64 -15.475 5.046 2.982 511 HG3 GLU 64 1HG GLU 64 -14.570 3.780 2.149 512 H ALA 65 H ALA 65 -10.861 3.479 3.995 513 HA ALA 65 HA ALA 65 -10.330 3.675 6.722 514 HB1 ALA 65 1HB ALA 65 -9.646 1.858 5.078 515 HB2 ALA 65 2HB ALA 65 -8.494 2.278 6.348 516 HB3 ALA 65 3HB ALA 65 -8.257 2.880 4.706 517 H LEU 66 H LEU 66 -8.771 5.319 4.014 518 HA LEU 66 HA LEU 66 -7.059 6.761 5.900 519 HB2 LEU 66 2HB LEU 66 -5.617 7.273 4.131 520 HB3 LEU 66 1HB LEU 66 -6.068 5.601 3.926 521 HG LEU 66 HG LEU 66 -6.044 6.407 1.773 522 HD11 LEU 66 1HD1 LEU 66 -8.140 5.268 2.108 523 HD12 LEU 66 2HD1 LEU 66 -8.335 6.588 0.954 524 HD13 LEU 66 3HD1 LEU 66 -8.907 6.774 2.612 525 HD21 LEU 66 3HD2 LEU 66 -7.092 8.599 1.144 526 HD22 LEU 66 1HD2 LEU 66 -5.648 8.686 2.158 527 HD23 LEU 66 2HD2 LEU 66 -7.242 8.911 2.878 528 H ARG 67 H ARG 67 -9.995 7.103 4.960 529 HA ARG 67 HA ARG 67 -9.931 9.956 4.296 530 HB2 ARG 67 2HB ARG 67 -11.179 8.748 2.725 531 HB3 ARG 67 1HB ARG 67 -11.914 7.736 3.950 532 HG2 ARG 67 2HG ARG 67 -13.340 9.549 4.646 533 HG3 ARG 67 1HG ARG 67 -12.532 10.647 3.517 534 HD2 ARG 67 2HD ARG 67 -13.412 9.597 1.653 535 HD3 ARG 67 1HD ARG 67 -13.693 8.087 2.510 536 HE ARG 67 HE ARG 67 -15.328 10.297 3.398 537 HH11 ARG 67 1HH1 ARG 67 -15.006 7.617 1.154 538 HH12 ARG 67 2HH1 ARG 67 -16.714 7.447 0.909 539 HH21 ARG 67 1HH2 ARG 67 -17.579 10.097 3.050 540 HH22 ARG 67 2HH2 ARG 67 -18.186 8.846 1.998 541 H LYS 68 H LYS 68 -11.726 7.664 6.336 542 HA LYS 68 HA LYS 68 -11.505 9.505 8.577 543 HB2 LYS 68 2HB LYS 68 -14.156 8.416 7.594 544 HB3 LYS 68 1HB LYS 68 -13.919 9.133 9.180 545 HG2 LYS 68 2HG LYS 68 -13.078 11.193 7.879 546 HG3 LYS 68 1HG LYS 68 -13.878 10.445 6.495 547 HD2 LYS 68 2HD LYS 68 -15.399 11.997 7.541 548 HD3 LYS 68 1HD LYS 68 -15.974 10.355 7.823 549 HE2 LYS 68 2HE LYS 68 -16.188 11.612 9.859 550 HE3 LYS 68 1HE LYS 68 -14.914 10.412 10.059 551 HZ1 LYS 68 3HZ LYS 68 -13.312 12.251 9.488 552 HZ2 LYS 68 1HZ LYS 68 -14.115 12.417 10.975 553 HZ3 LYS 68 2HZ LYS 68 -14.610 13.328 9.634 554 H GLY 69 H GLY 69 -13.115 8.056 10.354 555 HA2 GLY 69 2HA GLY 69 -13.346 6.009 11.431 556 HA3 GLY 69 1HA GLY 69 -12.451 5.250 10.124 557 H HIS 70 H HIS 70 -11.482 7.984 12.144 558 HA HIS 70 HA HIS 70 -9.456 6.260 13.395 559 HB2 HIS 70 2HB HIS 70 -8.951 8.973 12.158 560 HB3 HIS 70 1HB HIS 70 -7.811 8.148 13.215 561 HD1 HIS 70 1HD HIS 70 -6.800 5.859 12.260 562 HD2 HIS 70 2HD HIS 70 -8.892 8.200 9.534 563 HE1 HIS 70 1HE HIS 70 -6.148 5.000 9.991 564 HE2 HIS 70 2HE HIS 70 -7.631 6.256 8.388 565 H SER 71 H SER 71 -8.642 7.071 15.411 566 HA SER 71 HA SER 71 -10.508 8.948 16.713 567 HB2 SER 71 2HB SER 71 -8.851 6.769 18.018 568 HB3 SER 71 1HB SER 71 -10.048 7.793 18.809 569 HG SER 71 HG SER 71 -10.410 5.638 17.053 570 H GLU 72 H GLU 72 -9.657 10.541 18.061 571 HA GLU 72 HA GLU 72 -7.271 11.728 17.257 572 HB2 GLU 72 2HB GLU 72 -8.616 12.133 19.932 573 HB3 GLU 72 1HB GLU 72 -7.545 13.254 19.109 574 HG2 GLU 72 2HG GLU 72 -9.582 14.185 18.648 575 HG3 GLU 72 1HG GLU 72 -9.365 13.157 17.230 576 H GLY 73 H GLY 73 -5.206 11.765 18.040 577 HA2 GLY 73 2HA GLY 73 -4.400 9.452 19.587 578 HA3 GLY 73 1HA GLY 73 -3.336 10.636 18.840 579 H GLY 74 H GLY 74 -5.304 9.902 21.630 580 HA2 GLY 74 2HA GLY 74 -3.635 11.675 23.236 581 HA3 GLY 74 1HA GLY 74 -5.364 12.002 23.231 Start of MODEL 17 1 H1 VAL 1 1HT VAL 1 14.473 0.112 5.207 2 H2 VAL 1 2HT VAL 1 13.819 -0.424 3.743 3 H3 VAL 1 3HT VAL 1 13.076 -0.847 5.201 4 HA VAL 1 HA VAL 1 13.311 1.888 4.086 5 HB VAL 1 HB VAL 1 10.854 1.805 3.871 6 HG11 VAL 1 2HG1 VAL 1 12.182 1.332 1.920 7 HG12 VAL 1 3HG1 VAL 1 10.757 0.290 1.927 8 HG13 VAL 1 1HG1 VAL 1 12.329 -0.362 2.389 9 HG21 VAL 1 1HG2 VAL 1 11.144 -1.115 4.562 10 HG22 VAL 1 2HG2 VAL 1 9.667 -0.329 3.999 11 HG23 VAL 1 3HG2 VAL 1 10.366 0.114 5.558 12 H ASP 2 H ASP 2 12.644 -0.169 6.803 13 HA ASP 2 HA ASP 2 12.327 0.229 8.997 14 HB2 ASP 2 2HB ASP 2 13.152 2.986 8.155 15 HB3 ASP 2 1HB ASP 2 12.589 2.684 9.796 16 H MET 3 H MET 3 10.655 0.661 10.410 17 HA MET 3 HA MET 3 8.185 1.282 8.973 18 HB2 MET 3 2HB MET 3 8.648 -0.174 11.576 19 HB3 MET 3 1HB MET 3 7.089 0.034 10.788 20 HG2 MET 3 2HG MET 3 9.458 -1.404 9.629 21 HG3 MET 3 1HG MET 3 8.049 -2.166 10.361 22 HE1 MET 3 3HE MET 3 8.203 -2.458 6.272 23 HE2 MET 3 1HE MET 3 8.611 -3.335 7.746 24 HE3 MET 3 2HE MET 3 9.592 -1.961 7.236 25 H SER 4 H SER 4 10.219 3.041 10.756 26 HA SER 4 HA SER 4 8.458 4.033 12.798 27 HB2 SER 4 2HB SER 4 11.086 5.206 11.858 28 HB3 SER 4 1HB SER 4 10.291 5.475 13.410 29 HG SER 4 HG SER 4 11.891 3.946 13.703 30 H ASN 5 H ASN 5 9.475 4.974 9.593 31 HA ASN 5 HA ASN 5 8.026 7.494 9.820 32 HB2 ASN 5 2HB ASN 5 9.166 8.226 7.886 33 HB3 ASN 5 1HB ASN 5 10.358 7.357 8.825 34 HD21 ASN 5 1HD2 ASN 5 9.045 4.752 7.917 35 HD22 ASN 5 2HD2 ASN 5 9.669 4.525 6.325 36 H VAL 6 H VAL 6 7.281 4.486 9.194 37 HA VAL 6 HA VAL 6 5.601 4.900 6.850 38 HB VAL 6 HB VAL 6 6.258 2.449 8.482 39 HG11 VAL 6 1HG1 VAL 6 3.983 2.269 7.606 40 HG12 VAL 6 2HG1 VAL 6 5.073 1.161 6.772 41 HG13 VAL 6 3HG1 VAL 6 4.573 2.661 5.992 42 HG21 VAL 6 3HG2 VAL 6 8.072 3.267 7.073 43 HG22 VAL 6 1HG2 VAL 6 7.006 3.223 5.670 44 HG23 VAL 6 2HG2 VAL 6 7.450 1.725 6.486 45 H VAL 7 H VAL 7 3.438 5.259 6.975 46 HA VAL 7 HA VAL 7 2.257 5.194 9.659 47 HB VAL 7 HB VAL 7 0.288 6.340 8.649 48 HG11 VAL 7 1HG1 VAL 7 2.030 7.607 9.751 49 HG12 VAL 7 2HG1 VAL 7 1.412 8.501 8.361 50 HG13 VAL 7 3HG1 VAL 7 2.962 7.667 8.255 51 HG21 VAL 7 3HG2 VAL 7 2.005 6.697 6.200 52 HG22 VAL 7 1HG2 VAL 7 0.343 7.230 6.451 53 HG23 VAL 7 2HG2 VAL 7 0.697 5.507 6.307 54 H LYS 8 H LYS 8 2.101 3.439 6.671 55 HA LYS 8 HA LYS 8 0.607 1.332 7.913 56 HB2 LYS 8 2HB LYS 8 -1.279 2.774 7.349 57 HB3 LYS 8 1HB LYS 8 -0.697 2.939 5.701 58 HG2 LYS 8 2HG LYS 8 -2.519 1.417 5.675 59 HG3 LYS 8 1HG LYS 8 -1.043 0.491 5.402 60 HD2 LYS 8 2HD LYS 8 -1.040 -0.211 7.743 61 HD3 LYS 8 1HD LYS 8 -2.506 0.732 8.034 62 HE2 LYS 8 2HE LYS 8 -3.693 -0.648 6.371 63 HE3 LYS 8 1HE LYS 8 -2.233 -1.607 6.144 64 HZ1 LYS 8 3HZ LYS 8 -3.840 -1.380 8.632 65 HZ2 LYS 8 1HZ LYS 8 -2.356 -2.193 8.526 66 HZ3 LYS 8 2HZ LYS 8 -3.692 -2.740 7.635 67 H THR 9 H THR 9 0.877 -0.588 6.879 68 HA THR 9 HA THR 9 2.258 -0.510 4.286 69 HB THR 9 HB THR 9 2.837 -2.249 6.666 70 HG1 THR 9 1HG THR 9 3.973 -0.418 6.845 71 HG21 THR 9 3HG2 THR 9 2.888 -3.646 4.653 72 HG22 THR 9 1HG2 THR 9 4.510 -3.406 5.305 73 HG23 THR 9 2HG2 THR 9 3.983 -2.496 3.888 74 H TYR 10 H TYR 10 1.640 -1.988 2.787 75 HA TYR 10 HA TYR 10 -0.724 -3.599 3.428 76 HB2 TYR 10 2HB TYR 10 0.036 -2.106 0.936 77 HB3 TYR 10 1HB TYR 10 -1.203 -3.367 0.938 78 HD1 TYR 10 2HD TYR 10 -2.763 -3.142 3.116 79 HD2 TYR 10 1HD TYR 10 -0.839 0.056 1.100 80 HE1 TYR 10 2HE TYR 10 -4.394 -1.609 4.048 81 HE2 TYR 10 1HE TYR 10 -2.479 1.635 2.033 82 HH TYR 10 HH TYR 10 -4.632 1.706 2.994 83 H ASP 11 H ASP 11 -0.745 -5.586 3.176 84 HA ASP 11 HA ASP 11 1.643 -6.875 2.030 85 HB2 ASP 11 2HB ASP 11 0.141 -7.337 4.410 86 HB3 ASP 11 1HB ASP 11 -0.014 -8.762 3.386 87 H LEU 12 H LEU 12 1.483 -7.719 0.154 88 HA LEU 12 HA LEU 12 -0.973 -7.536 -1.310 89 HB2 LEU 12 2HB LEU 12 1.792 -8.430 -2.096 90 HB3 LEU 12 1HB LEU 12 0.441 -8.358 -3.223 91 HG LEU 12 HG LEU 12 1.972 -6.122 -1.970 92 HD11 LEU 12 1HD1 LEU 12 2.453 -6.893 -4.254 93 HD12 LEU 12 2HD1 LEU 12 1.874 -5.230 -4.220 94 HD13 LEU 12 3HD1 LEU 12 0.791 -6.531 -4.712 95 HD21 LEU 12 3HD2 LEU 12 0.194 -4.532 -2.508 96 HD22 LEU 12 1HD2 LEU 12 -0.330 -5.680 -1.274 97 HD23 LEU 12 2HD2 LEU 12 -0.874 -5.868 -2.941 98 H GLN 13 H GLN 13 0.195 -10.034 0.512 99 HA GLN 13 HA GLN 13 -0.967 -12.016 0.952 100 HB2 GLN 13 2HB GLN 13 -2.077 -11.602 -1.806 101 HB3 GLN 13 1HB GLN 13 -2.143 -13.180 -1.043 102 HG2 GLN 13 2HG GLN 13 -3.335 -12.117 0.864 103 HG3 GLN 13 1HG GLN 13 -3.407 -10.634 -0.088 104 HE21 GLN 13 1HE2 GLN 13 -5.680 -10.704 -0.109 105 HE22 GLN 13 2HE2 GLN 13 -6.542 -11.822 -1.110 106 H ASP 14 H ASP 14 0.865 -11.355 -1.934 107 HA ASP 14 HA ASP 14 1.858 -14.077 -2.164 108 HB2 ASP 14 2HB ASP 14 2.803 -13.429 -4.184 109 HB3 ASP 14 1HB ASP 14 1.489 -12.261 -4.088 110 H GLY 15 H GLY 15 2.654 -11.028 -0.839 111 HA2 GLY 15 2HA GLY 15 4.333 -11.472 1.089 112 HA3 GLY 15 1HA GLY 15 5.368 -11.888 -0.249 113 H SER 16 H SER 16 4.023 -9.699 -1.876 114 HA SER 16 HA SER 16 6.065 -7.820 -1.371 115 HB2 SER 16 2HB SER 16 4.989 -8.113 -3.589 116 HB3 SER 16 1HB SER 16 3.550 -7.338 -2.946 117 HG SER 16 HG SER 16 5.990 -6.019 -2.675 118 H LYS 17 H LYS 17 6.058 -5.883 -0.500 119 HA LYS 17 HA LYS 17 3.832 -5.258 1.311 120 HB2 LYS 17 2HB LYS 17 6.805 -4.933 1.775 121 HB3 LYS 17 1HB LYS 17 5.537 -4.442 2.900 122 HG2 LYS 17 2HG LYS 17 4.808 -6.815 3.005 123 HG3 LYS 17 1HG LYS 17 6.206 -7.231 2.004 124 HD2 LYS 17 2HD LYS 17 7.716 -6.418 3.685 125 HD3 LYS 17 1HD LYS 17 6.369 -5.835 4.669 126 HE2 LYS 17 2HE LYS 17 6.830 -8.717 3.918 127 HE3 LYS 17 1HE LYS 17 7.297 -7.995 5.457 128 HZ1 LYS 17 3HZ LYS 17 5.117 -9.225 5.404 129 HZ2 LYS 17 1HZ LYS 17 4.492 -7.954 4.474 130 HZ3 LYS 17 2HZ LYS 17 5.067 -7.665 6.047 131 H VAL 18 H VAL 18 2.980 -3.357 1.046 132 HA VAL 18 HA VAL 18 4.515 -1.265 -0.359 133 HB VAL 18 HB VAL 18 1.512 -1.631 -0.108 134 HG11 VAL 18 1HG1 VAL 18 2.098 0.727 -0.166 135 HG12 VAL 18 2HG1 VAL 18 1.343 0.248 -1.687 136 HG13 VAL 18 3HG1 VAL 18 3.092 0.469 -1.599 137 HG21 VAL 18 3HG2 VAL 18 3.297 -1.905 -2.529 138 HG22 VAL 18 1HG2 VAL 18 1.544 -2.088 -2.499 139 HG23 VAL 18 2HG2 VAL 18 2.566 -3.238 -1.635 140 H HIS 19 H HIS 19 4.966 0.550 0.806 141 HA HIS 19 HA HIS 19 3.580 0.769 3.407 142 HB2 HIS 19 2HB HIS 19 6.301 1.961 3.015 143 HB3 HIS 19 1HB HIS 19 5.502 1.495 4.509 144 HD1 HIS 19 1HD HIS 19 5.558 -1.085 5.109 145 HD2 HIS 19 2HD HIS 19 7.802 0.086 1.841 146 HE1 HIS 19 1HE HIS 19 7.119 -3.010 4.650 147 HE2 HIS 19 2HE HIS 19 8.617 -2.200 2.785 148 H VAL 20 H VAL 20 2.502 2.548 3.742 149 HA VAL 20 HA VAL 20 2.874 4.792 1.911 150 HB VAL 20 HB VAL 20 0.846 4.491 4.144 151 HG11 VAL 20 1HG1 VAL 20 1.011 6.450 1.848 152 HG12 VAL 20 2HG1 VAL 20 1.289 6.813 3.552 153 HG13 VAL 20 3HG1 VAL 20 -0.318 6.336 3.002 154 HG21 VAL 20 3HG2 VAL 20 0.504 2.782 2.424 155 HG22 VAL 20 1HG2 VAL 20 0.488 4.033 1.180 156 HG23 VAL 20 2HG2 VAL 20 -0.788 3.982 2.397 157 H PHE 21 H PHE 21 4.347 6.210 2.463 158 HA PHE 21 HA PHE 21 5.436 6.115 5.152 159 HB2 PHE 21 2HB PHE 21 6.350 7.367 2.579 160 HB3 PHE 21 1HB PHE 21 7.190 7.636 4.098 161 HD1 PHE 21 1HD PHE 21 6.468 5.171 1.434 162 HD2 PHE 21 2HD PHE 21 8.436 5.873 5.164 163 HE1 PHE 21 1HE PHE 21 7.789 3.131 1.128 164 HE2 PHE 21 2HE PHE 21 9.754 3.826 4.836 165 HZ PHE 21 HZ PHE 21 9.433 2.451 2.822 166 H LYS 22 H LYS 22 6.040 8.162 6.220 167 HA LYS 22 HA LYS 22 3.778 9.749 6.725 168 HB2 LYS 22 2HB LYS 22 6.683 9.858 7.443 169 HB3 LYS 22 1HB LYS 22 5.673 11.253 7.803 170 HG2 LYS 22 2HG LYS 22 4.368 10.054 9.322 171 HG3 LYS 22 1HG LYS 22 4.918 8.498 8.698 172 HD2 LYS 22 2HD LYS 22 5.987 8.888 10.812 173 HD3 LYS 22 1HD LYS 22 7.193 9.023 9.538 174 HE2 LYS 22 2HE LYS 22 5.802 11.425 10.687 175 HE3 LYS 22 1HE LYS 22 7.257 10.747 11.409 176 HZ1 LYS 22 3HZ LYS 22 8.250 11.014 9.080 177 HZ2 LYS 22 1HZ LYS 22 8.035 12.406 10.020 178 HZ3 LYS 22 2HZ LYS 22 6.943 12.050 8.780 179 H ASP 23 H ASP 23 6.324 10.039 4.445 180 HA ASP 23 HA ASP 23 6.087 12.862 4.006 181 HB2 ASP 23 2HB ASP 23 8.271 11.754 3.846 182 HB3 ASP 23 1HB ASP 23 7.662 10.707 2.573 183 H GLY 24 H GLY 24 4.405 10.164 3.178 184 HA2 GLY 24 2HA GLY 24 2.466 10.196 1.935 185 HA3 GLY 24 1HA GLY 24 3.058 11.607 1.090 186 H LYS 25 H LYS 25 5.592 9.597 1.039 187 HA LYS 25 HA LYS 25 4.970 8.588 -1.592 188 HB2 LYS 25 2HB LYS 25 7.437 8.534 0.113 189 HB3 LYS 25 1HB LYS 25 7.313 7.588 -1.363 190 HG2 LYS 25 2HG LYS 25 6.721 9.763 -2.524 191 HG3 LYS 25 1HG LYS 25 7.270 10.554 -1.050 192 HD2 LYS 25 2HD LYS 25 8.902 8.644 -2.698 193 HD3 LYS 25 1HD LYS 25 9.037 10.402 -2.764 194 HE2 LYS 25 2HE LYS 25 9.396 8.857 -0.208 195 HE3 LYS 25 1HE LYS 25 10.731 9.141 -1.325 196 HZ1 LYS 25 3HZ LYS 25 10.357 11.523 -1.093 197 HZ2 LYS 25 1HZ LYS 25 10.692 10.804 0.406 198 HZ3 LYS 25 2HZ LYS 25 9.098 11.243 0.011 199 H MET 26 H MET 26 5.983 6.300 -1.915 200 HA MET 26 HA MET 26 5.144 4.464 0.182 201 HB2 MET 26 2HB MET 26 4.046 4.404 -2.628 202 HB3 MET 26 1HB MET 26 3.922 3.065 -1.496 203 HG2 MET 26 2HG MET 26 2.702 4.598 0.052 204 HG3 MET 26 1HG MET 26 2.687 5.794 -1.244 205 HE1 MET 26 3HE MET 26 0.698 3.791 -4.014 206 HE2 MET 26 1HE MET 26 2.437 3.684 -3.731 207 HE3 MET 26 2HE MET 26 1.629 5.251 -3.668 208 H GLY 27 H GLY 27 6.078 2.471 0.069 209 HA2 GLY 27 2HA GLY 27 8.155 2.140 -1.994 210 HA3 GLY 27 1HA GLY 27 8.475 1.808 -0.297 211 H MET 28 H MET 28 8.294 0.159 -2.907 212 HA MET 28 HA MET 28 6.398 -1.859 -1.903 213 HB2 MET 28 2HB MET 28 5.883 -0.923 -4.152 214 HB3 MET 28 1HB MET 28 7.440 -1.508 -4.721 215 HG2 MET 28 2HG MET 28 6.753 -3.804 -4.256 216 HG3 MET 28 1HG MET 28 5.192 -3.220 -3.682 217 HE1 MET 28 3HE MET 28 3.871 -4.800 -5.337 218 HE2 MET 28 1HE MET 28 5.413 -5.466 -5.877 219 HE3 MET 28 2HE MET 28 4.224 -4.921 -7.060 220 H GLU 29 H GLU 29 7.188 -3.726 -1.234 221 HA GLU 29 HA GLU 29 9.928 -4.474 -2.023 222 HB2 GLU 29 2HB GLU 29 8.743 -4.506 0.763 223 HB3 GLU 29 1HB GLU 29 10.167 -5.440 0.322 224 HG2 GLU 29 2HG GLU 29 11.374 -3.434 -0.218 225 HG3 GLU 29 1HG GLU 29 9.941 -2.449 0.079 226 H ASN 30 H ASN 30 10.280 -6.793 -1.996 227 HA ASN 30 HA ASN 30 7.787 -8.246 -2.400 228 HB2 ASN 30 2HB ASN 30 9.237 -10.094 -3.215 229 HB3 ASN 30 1HB ASN 30 9.474 -8.593 -4.100 230 HD21 ASN 30 1HD2 ASN 30 11.490 -9.473 -4.776 231 HD22 ASN 30 2HD2 ASN 30 12.861 -9.420 -3.718 232 H LYS 31 H LYS 31 7.793 -10.573 -1.555 233 HA LYS 31 HA LYS 31 7.763 -10.792 1.146 234 HB2 LYS 31 2HB LYS 31 8.340 -13.345 0.522 235 HB3 LYS 31 1HB LYS 31 6.773 -12.613 0.293 236 HG2 LYS 31 2HG LYS 31 7.261 -12.194 -2.039 237 HG3 LYS 31 1HG LYS 31 8.898 -12.814 -1.828 238 HD2 LYS 31 2HD LYS 31 8.059 -15.018 -1.360 239 HD3 LYS 31 1HD LYS 31 6.394 -14.431 -1.361 240 HE2 LYS 31 2HE LYS 31 8.166 -14.150 -3.767 241 HE3 LYS 31 1HE LYS 31 7.268 -15.634 -3.458 242 HZ1 LYS 31 3HZ LYS 31 5.912 -12.998 -3.539 243 HZ2 LYS 31 1HZ LYS 31 5.237 -14.543 -3.700 244 HZ3 LYS 31 2HZ LYS 31 6.189 -13.898 -4.946 245 H PHE 32 H PHE 32 10.624 -10.473 -0.638 246 HA PHE 32 HA PHE 32 12.215 -11.795 1.448 247 HB2 PHE 32 2HB PHE 32 13.089 -10.859 -1.297 248 HB3 PHE 32 1HB PHE 32 14.063 -11.778 -0.151 249 HD1 PHE 32 1HD PHE 32 13.577 -14.133 0.284 250 HD2 PHE 32 2HD PHE 32 11.393 -11.913 -2.620 251 HE1 PHE 32 1HE PHE 32 12.718 -16.233 -0.674 252 HE2 PHE 32 2HE PHE 32 10.528 -14.006 -3.578 253 HZ PHE 32 HZ PHE 32 11.194 -16.168 -2.609 254 H GLY 33 H GLY 33 11.087 -8.757 0.629 255 HA2 GLY 33 2HA GLY 33 11.528 -6.821 1.855 256 HA3 GLY 33 1HA GLY 33 13.033 -7.534 2.412 257 H LYS 34 H LYS 34 12.279 -7.594 -0.958 258 HA LYS 34 HA LYS 34 14.360 -5.560 -1.380 259 HB2 LYS 34 2HB LYS 34 13.452 -7.842 -3.107 260 HB3 LYS 34 1HB LYS 34 14.541 -6.585 -3.672 261 HG2 LYS 34 2HG LYS 34 15.131 -8.104 -1.182 262 HG3 LYS 34 1HG LYS 34 15.534 -8.774 -2.761 263 HD2 LYS 34 2HD LYS 34 16.966 -6.914 -3.247 264 HD3 LYS 34 1HD LYS 34 16.400 -6.044 -1.820 265 HE2 LYS 34 2HE LYS 34 18.593 -6.981 -1.411 266 HE3 LYS 34 1HE LYS 34 17.393 -7.767 -0.389 267 HZ1 LYS 34 3HZ LYS 34 17.332 -9.587 -2.066 268 HZ2 LYS 34 1HZ LYS 34 18.812 -9.429 -1.254 269 HZ3 LYS 34 2HZ LYS 34 18.656 -8.859 -2.841 270 H SER 35 H SER 35 14.099 -3.888 -2.616 271 HA SER 35 HA SER 35 11.446 -2.892 -2.900 272 HB2 SER 35 2HB SER 35 13.272 -1.419 -2.259 273 HB3 SER 35 1HB SER 35 14.096 -1.731 -3.785 274 HG SER 35 HG SER 35 12.992 0.225 -3.918 275 H MET 36 H MET 36 10.150 -2.840 -4.595 276 HA MET 36 HA MET 36 11.253 -3.461 -7.259 277 HB2 MET 36 2HB MET 36 8.602 -4.382 -6.122 278 HB3 MET 36 1HB MET 36 9.139 -4.640 -7.775 279 HG2 MET 36 2HG MET 36 11.009 -5.990 -6.939 280 HG3 MET 36 1HG MET 36 10.423 -5.756 -5.293 281 HE1 MET 36 3HE MET 36 8.025 -6.667 -4.449 282 HE2 MET 36 1HE MET 36 6.919 -7.569 -5.486 283 HE3 MET 36 2HE MET 36 7.245 -5.868 -5.816 284 H ASN 37 H ASN 37 9.397 -2.848 -8.960 285 HA ASN 37 HA ASN 37 8.694 -0.070 -8.300 286 HB2 ASN 37 2HB ASN 37 8.906 -1.502 -10.948 287 HB3 ASN 37 1HB ASN 37 8.254 0.121 -10.789 288 HD21 ASN 37 1HD2 ASN 37 10.936 -1.136 -8.909 289 HD22 ASN 37 2HD2 ASN 37 12.142 -0.101 -9.590 290 H MET 38 H MET 38 6.675 0.538 -8.002 291 HA MET 38 HA MET 38 4.661 -1.531 -7.912 292 HB2 MET 38 2HB MET 38 4.979 0.168 -6.084 293 HB3 MET 38 1HB MET 38 4.349 1.383 -7.188 294 HG2 MET 38 2HG MET 38 2.232 0.237 -7.311 295 HG3 MET 38 1HG MET 38 2.852 -1.076 -6.310 296 HE1 MET 38 3HE MET 38 0.156 0.188 -5.554 297 HE2 MET 38 1HE MET 38 0.347 0.510 -3.829 298 HE3 MET 38 2HE MET 38 0.971 -0.988 -4.521 299 HA PRO 39 HA PRO 39 3.044 -0.458 -11.894 300 HB2 PRO 39 2HB PRO 39 0.996 -2.198 -11.927 301 HB3 PRO 39 1HB PRO 39 2.675 -2.730 -12.079 302 HG2 PRO 39 2HG PRO 39 0.904 -2.728 -9.662 303 HG3 PRO 39 1HG PRO 39 1.994 -4.000 -10.248 304 HD2 PRO 39 2HD PRO 39 2.656 -2.281 -8.247 305 HD3 PRO 39 1HD PRO 39 3.853 -2.991 -9.350 306 H GLU 40 H GLU 40 1.304 0.637 -12.799 307 HA GLU 40 HA GLU 40 -0.692 1.669 -10.894 308 HB2 GLU 40 2HB GLU 40 0.775 3.422 -11.841 309 HB3 GLU 40 1HB GLU 40 0.297 2.939 -13.464 310 HG2 GLU 40 2HG GLU 40 -2.072 3.456 -12.798 311 HG3 GLU 40 1HG GLU 40 -1.418 4.174 -11.331 312 H GLY 41 H GLY 41 -2.860 1.518 -11.426 313 HA2 GLY 41 2HA GLY 41 -4.671 1.330 -12.926 314 HA3 GLY 41 1HA GLY 41 -3.569 0.711 -14.147 315 H LYS 42 H LYS 42 -2.884 -0.831 -11.307 316 HA LYS 42 HA LYS 42 -4.547 -3.128 -12.095 317 HB2 LYS 42 2HB LYS 42 -1.883 -2.988 -10.696 318 HB3 LYS 42 1HB LYS 42 -2.841 -4.453 -10.811 319 HG2 LYS 42 2HG LYS 42 -1.887 -2.916 -13.200 320 HG3 LYS 42 1HG LYS 42 -1.021 -4.282 -12.489 321 HD2 LYS 42 2HD LYS 42 -3.841 -4.333 -13.523 322 HD3 LYS 42 1HD LYS 42 -2.437 -4.973 -14.377 323 HE2 LYS 42 2HE LYS 42 -3.509 -5.923 -11.718 324 HE3 LYS 42 1HE LYS 42 -3.709 -6.743 -13.264 325 HZ1 LYS 42 3HZ LYS 42 -1.115 -6.250 -11.888 326 HZ2 LYS 42 1HZ LYS 42 -1.308 -7.038 -13.380 327 HZ3 LYS 42 2HZ LYS 42 -1.934 -7.731 -11.962 328 H VAL 43 H VAL 43 -5.894 -4.045 -10.655 329 HA VAL 43 HA VAL 43 -6.045 -2.946 -7.970 330 HB VAL 43 HB VAL 43 -7.763 -5.081 -9.263 331 HG11 VAL 43 1HG1 VAL 43 -9.327 -4.613 -7.429 332 HG12 VAL 43 2HG1 VAL 43 -8.156 -3.498 -6.726 333 HG13 VAL 43 3HG1 VAL 43 -7.778 -5.216 -6.833 334 HG21 VAL 43 3HG2 VAL 43 -7.978 -2.953 -10.426 335 HG22 VAL 43 1HG2 VAL 43 -8.280 -2.130 -8.895 336 HG23 VAL 43 2HG2 VAL 43 -9.441 -3.308 -9.508 337 H MET 44 H MET 44 -4.951 -3.807 -6.359 338 HA MET 44 HA MET 44 -4.057 -6.608 -6.586 339 HB2 MET 44 2HB MET 44 -2.811 -4.230 -5.231 340 HB3 MET 44 1HB MET 44 -2.406 -5.866 -4.734 341 HG2 MET 44 2HG MET 44 -0.728 -5.221 -6.221 342 HG3 MET 44 1HG MET 44 -1.777 -6.301 -7.136 343 HE1 MET 44 3HE MET 44 -2.476 -2.539 -6.189 344 HE2 MET 44 1HE MET 44 -1.798 -1.707 -7.590 345 HE3 MET 44 2HE MET 44 -0.737 -2.575 -6.481 346 H GLU 45 H GLU 45 -4.150 -7.922 -4.719 347 HA GLU 45 HA GLU 45 -6.138 -7.021 -2.771 348 HB2 GLU 45 2HB GLU 45 -5.328 -9.700 -3.796 349 HB3 GLU 45 1HB GLU 45 -6.033 -9.578 -2.191 350 HG2 GLU 45 2HG GLU 45 -8.042 -8.702 -3.023 351 HG3 GLU 45 1HG GLU 45 -7.343 -8.405 -4.619 352 H THR 46 H THR 46 -5.901 -7.514 -0.631 353 HA THR 46 HA THR 46 -3.100 -7.590 0.302 354 HB THR 46 HB THR 46 -3.799 -6.395 2.286 355 HG1 THR 46 1HG THR 46 -5.904 -5.940 2.705 356 HG21 THR 46 3HG2 THR 46 -4.455 -4.262 1.304 357 HG22 THR 46 1HG2 THR 46 -4.959 -5.082 -0.175 358 HG23 THR 46 2HG2 THR 46 -3.255 -5.064 0.290 359 H ARG 47 H ARG 47 -2.655 -8.784 2.255 360 HA ARG 47 HA ARG 47 -3.806 -11.304 2.420 361 HB2 ARG 47 2HB ARG 47 -2.150 -9.690 4.311 362 HB3 ARG 47 1HB ARG 47 -2.761 -11.267 4.787 363 HG2 ARG 47 2HG ARG 47 -1.626 -12.323 2.950 364 HG3 ARG 47 1HG ARG 47 -1.102 -10.754 2.334 365 HD2 ARG 47 2HD ARG 47 0.657 -11.977 3.573 366 HD3 ARG 47 1HD ARG 47 0.280 -10.394 4.250 367 HE ARG 47 HE ARG 47 -0.992 -12.769 5.406 368 HH11 ARG 47 1HH1 ARG 47 1.382 -10.204 5.639 369 HH12 ARG 47 2HH1 ARG 47 1.531 -10.325 7.373 370 HH21 ARG 47 1HH2 ARG 47 -0.782 -12.962 7.676 371 HH22 ARG 47 2HH2 ARG 47 0.304 -11.901 8.532 372 H ASP 48 H ASP 48 -4.952 -8.321 3.722 373 HA ASP 48 HA ASP 48 -6.632 -9.642 5.698 374 HB2 ASP 48 2HB ASP 48 -7.314 -7.379 6.372 375 HB3 ASP 48 1HB ASP 48 -5.562 -7.560 6.368 376 H GLY 49 H GLY 49 -6.782 -8.983 2.450 377 HA2 GLY 49 2HA GLY 49 -8.508 -9.827 1.118 378 HA3 GLY 49 1HA GLY 49 -9.578 -9.776 2.508 379 H THR 50 H THR 50 -7.729 -6.933 1.669 380 HA THR 50 HA THR 50 -10.187 -5.790 0.553 381 HB THR 50 HB THR 50 -8.995 -3.545 0.984 382 HG1 THR 50 1HG THR 50 -7.580 -5.099 2.909 383 HG21 THR 50 3HG2 THR 50 -10.933 -4.283 2.263 384 HG22 THR 50 1HG2 THR 50 -9.763 -3.484 3.316 385 HG23 THR 50 2HG2 THR 50 -9.892 -5.243 3.314 386 H LYS 51 H LYS 51 -9.871 -4.191 -1.197 387 HA LYS 51 HA LYS 51 -7.784 -5.164 -3.035 388 HB2 LYS 51 2HB LYS 51 -10.533 -4.058 -3.656 389 HB3 LYS 51 1HB LYS 51 -9.336 -4.519 -4.859 390 HG2 LYS 51 2HG LYS 51 -9.436 -6.825 -4.115 391 HG3 LYS 51 1HG LYS 51 -10.584 -6.383 -2.849 392 HD2 LYS 51 2HD LYS 51 -12.189 -5.671 -4.554 393 HD3 LYS 51 1HD LYS 51 -11.038 -6.098 -5.819 394 HE2 LYS 51 2HE LYS 51 -12.220 -8.023 -3.818 395 HE3 LYS 51 1HE LYS 51 -12.773 -7.821 -5.478 396 HZ1 LYS 51 3HZ LYS 51 -11.307 -9.704 -5.326 397 HZ2 LYS 51 1HZ LYS 51 -10.089 -8.760 -4.629 398 HZ3 LYS 51 2HZ LYS 51 -10.551 -8.488 -6.233 399 H ILE 52 H ILE 52 -6.500 -3.727 -4.040 400 HA ILE 52 HA ILE 52 -6.855 -0.874 -3.364 401 HB ILE 52 HB ILE 52 -4.594 -0.685 -2.679 402 HG12 ILE 52 2HG1 ILE 52 -4.106 -3.509 -3.663 403 HG13 ILE 52 1HG1 ILE 52 -3.611 -2.045 -4.505 404 HG21 ILE 52 1HG2 ILE 52 -5.557 -3.344 -1.645 405 HG22 ILE 52 2HG2 ILE 52 -6.006 -1.762 -1.017 406 HG23 ILE 52 3HG2 ILE 52 -4.339 -2.318 -0.886 407 HD11 ILE 52 3HD1 ILE 52 -1.729 -2.997 -3.350 408 HD12 ILE 52 1HD1 ILE 52 -2.615 -3.002 -1.828 409 HD13 ILE 52 2HD1 ILE 52 -2.171 -1.472 -2.584 410 H ILE 53 H ILE 53 -5.555 0.556 -4.764 411 HA ILE 53 HA ILE 53 -3.964 -0.570 -6.903 412 HB ILE 53 HB ILE 53 -5.868 -0.649 -8.252 413 HG12 ILE 53 2HG1 ILE 53 -4.466 1.995 -8.671 414 HG13 ILE 53 1HG1 ILE 53 -4.147 0.462 -9.471 415 HG21 ILE 53 1HG2 ILE 53 -7.518 0.378 -6.923 416 HG22 ILE 53 2HG2 ILE 53 -7.470 1.315 -8.415 417 HG23 ILE 53 3HG2 ILE 53 -6.695 1.936 -6.954 418 HD11 ILE 53 3HD1 ILE 53 -6.619 2.137 -9.829 419 HD12 ILE 53 1HD1 ILE 53 -6.244 0.632 -10.670 420 HD13 ILE 53 2HD1 ILE 53 -5.247 2.066 -10.934 421 H MET 54 H MET 54 -2.414 0.820 -7.656 422 HA MET 54 HA MET 54 -2.237 3.447 -6.330 423 HB2 MET 54 2HB MET 54 -0.284 1.827 -6.234 424 HB3 MET 54 1HB MET 54 -0.122 2.017 -7.971 425 HG2 MET 54 2HG MET 54 -0.020 4.361 -6.105 426 HG3 MET 54 1HG MET 54 1.405 3.393 -6.469 427 HE1 MET 54 3HE MET 54 1.987 4.044 -10.241 428 HE2 MET 54 1HE MET 54 1.186 2.668 -9.481 429 HE3 MET 54 2HE MET 54 2.638 3.355 -8.753 430 H LYS 55 H LYS 55 -2.857 5.145 -7.437 431 HA LYS 55 HA LYS 55 -2.577 5.136 -10.351 432 HB2 LYS 55 2HB LYS 55 -4.943 4.486 -9.657 433 HB3 LYS 55 1HB LYS 55 -5.098 6.110 -9.001 434 HG2 LYS 55 2HG LYS 55 -6.085 6.003 -11.200 435 HG3 LYS 55 1HG LYS 55 -4.655 7.040 -11.231 436 HD2 LYS 55 2HD LYS 55 -3.347 5.106 -12.093 437 HD3 LYS 55 1HD LYS 55 -4.846 4.179 -12.172 438 HE2 LYS 55 2HE LYS 55 -5.764 5.690 -13.791 439 HE3 LYS 55 1HE LYS 55 -4.395 6.785 -13.616 440 HZ1 LYS 55 3HZ LYS 55 -4.300 4.026 -14.719 441 HZ2 LYS 55 1HZ LYS 55 -2.950 5.033 -14.507 442 HZ3 LYS 55 2HZ LYS 55 -4.166 5.461 -15.608 443 H GLY 56 H GLY 56 -1.332 6.795 -10.802 444 HA2 GLY 56 2HA GLY 56 -0.395 8.890 -10.757 445 HA3 GLY 56 1HA GLY 56 -1.861 9.444 -9.963 446 H ASN 57 H ASN 57 0.744 7.208 -9.018 447 HA ASN 57 HA ASN 57 2.264 7.209 -7.332 448 HB2 ASN 57 2HB ASN 57 1.369 10.041 -6.754 449 HB3 ASN 57 1HB ASN 57 2.766 9.243 -6.046 450 HD21 ASN 57 1HD2 ASN 57 1.470 10.831 -8.790 451 HD22 ASN 57 2HD2 ASN 57 2.927 10.904 -9.722 452 H GLU 58 H GLU 58 -0.917 8.404 -6.625 453 HA GLU 58 HA GLU 58 -0.800 7.822 -3.812 454 HB2 GLU 58 2HB GLU 58 -3.208 8.398 -5.543 455 HB3 GLU 58 1HB GLU 58 -3.144 8.466 -3.787 456 HG2 GLU 58 2HG GLU 58 -1.537 10.306 -3.923 457 HG3 GLU 58 1HG GLU 58 -1.636 10.251 -5.682 458 H ILE 59 H ILE 59 -2.192 6.310 -2.734 459 HA ILE 59 HA ILE 59 -2.664 3.921 -4.375 460 HB ILE 59 HB ILE 59 -0.899 4.080 -2.310 461 HG12 ILE 59 2HG1 ILE 59 -1.150 2.253 -3.957 462 HG13 ILE 59 1HG1 ILE 59 -0.851 1.662 -2.328 463 HG21 ILE 59 1HG2 ILE 59 -2.583 4.463 -0.613 464 HG22 ILE 59 2HG2 ILE 59 -1.816 2.892 -0.377 465 HG23 ILE 59 3HG2 ILE 59 -3.427 2.988 -1.090 466 HD11 ILE 59 3HD1 ILE 59 -3.522 1.747 -3.707 467 HD12 ILE 59 1HD1 ILE 59 -3.212 1.132 -2.085 468 HD13 ILE 59 2HD1 ILE 59 -2.511 0.319 -3.484 469 H PHE 60 H PHE 60 -4.684 3.280 -4.526 470 HA PHE 60 HA PHE 60 -6.643 4.204 -2.579 471 HB2 PHE 60 2HB PHE 60 -7.788 4.329 -4.553 472 HB3 PHE 60 1HB PHE 60 -6.770 3.123 -5.333 473 HD1 PHE 60 1HD PHE 60 -7.287 0.803 -5.211 474 HD2 PHE 60 2HD PHE 60 -9.814 3.649 -3.325 475 HE1 PHE 60 1HE PHE 60 -9.015 -0.913 -4.992 476 HE2 PHE 60 2HE PHE 60 -11.565 1.923 -3.094 477 HZ PHE 60 HZ PHE 60 -11.142 -0.375 -3.925 478 H ARG 61 H ARG 61 -6.492 3.054 -0.775 479 HA ARG 61 HA ARG 61 -7.560 0.357 -1.125 480 HB2 ARG 61 2HB ARG 61 -5.179 0.175 -0.314 481 HB3 ARG 61 1HB ARG 61 -5.626 1.124 1.094 482 HG2 ARG 61 2HG ARG 61 -7.165 -1.356 0.519 483 HG3 ARG 61 1HG ARG 61 -5.534 -1.509 1.169 484 HD2 ARG 61 2HD ARG 61 -6.262 0.064 3.004 485 HD3 ARG 61 1HD ARG 61 -7.908 -0.127 2.403 486 HE ARG 61 HE ARG 61 -7.277 -2.664 2.760 487 HH11 ARG 61 1HH1 ARG 61 -6.533 0.065 4.827 488 HH12 ARG 61 2HH1 ARG 61 -6.552 -0.867 6.293 489 HH21 ARG 61 1HH2 ARG 61 -7.263 -3.906 4.685 490 HH22 ARG 61 2HH2 ARG 61 -6.954 -3.126 6.205 491 H LEU 62 H LEU 62 -9.735 0.875 -0.590 492 HA LEU 62 HA LEU 62 -11.440 1.510 0.715 493 HB2 LEU 62 2HB LEU 62 -9.241 1.748 2.658 494 HB3 LEU 62 1HB LEU 62 -10.656 2.726 2.980 495 HG LEU 62 HG LEU 62 -10.802 0.643 4.164 496 HD11 LEU 62 1HD1 LEU 62 -12.722 0.816 1.848 497 HD12 LEU 62 2HD1 LEU 62 -12.872 1.631 3.405 498 HD13 LEU 62 3HD1 LEU 62 -12.987 -0.128 3.315 499 HD21 LEU 62 3HD2 LEU 62 -10.599 -0.648 1.439 500 HD22 LEU 62 1HD2 LEU 62 -11.023 -1.492 2.930 501 HD23 LEU 62 2HD2 LEU 62 -9.426 -0.767 2.752 502 H ASP 63 H ASP 63 -8.721 3.699 0.576 503 HA ASP 63 HA ASP 63 -8.552 5.816 -0.199 504 HB2 ASP 63 2HB ASP 63 -10.187 5.465 -1.905 505 HB3 ASP 63 1HB ASP 63 -11.500 5.528 -0.732 506 H GLU 64 H GLU 64 -11.526 5.511 1.664 507 HA GLU 64 HA GLU 64 -11.104 8.076 2.902 508 HB2 GLU 64 2HB GLU 64 -13.374 7.172 2.390 509 HB3 GLU 64 1HB GLU 64 -13.128 5.953 3.636 510 HG2 GLU 64 2HG GLU 64 -13.038 7.618 5.343 511 HG3 GLU 64 1HG GLU 64 -13.039 8.914 4.150 512 H ALA 65 H ALA 65 -10.420 4.760 3.667 513 HA ALA 65 HA ALA 65 -9.981 4.912 6.422 514 HB1 ALA 65 1HB ALA 65 -9.909 2.851 4.899 515 HB2 ALA 65 2HB ALA 65 -8.752 2.924 6.231 516 HB3 ALA 65 3HB ALA 65 -8.230 3.300 4.588 517 H LEU 66 H LEU 66 -7.972 5.785 3.706 518 HA LEU 66 HA LEU 66 -5.770 6.558 5.456 519 HB2 LEU 66 2HB LEU 66 -4.425 6.623 3.491 520 HB3 LEU 66 1HB LEU 66 -5.346 5.133 3.487 521 HG LEU 66 HG LEU 66 -6.992 6.686 2.034 522 HD11 LEU 66 1HD1 LEU 66 -5.359 8.545 2.282 523 HD12 LEU 66 2HD1 LEU 66 -5.775 8.141 0.611 524 HD13 LEU 66 3HD1 LEU 66 -4.233 7.614 1.293 525 HD21 LEU 66 3HD2 LEU 66 -5.971 5.628 0.049 526 HD22 LEU 66 1HD2 LEU 66 -6.218 4.491 1.378 527 HD23 LEU 66 2HD2 LEU 66 -4.605 5.128 1.046 528 H ARG 67 H ARG 67 -8.385 7.885 3.768 529 HA ARG 67 HA ARG 67 -7.377 10.507 3.340 530 HB2 ARG 67 2HB ARG 67 -9.300 9.673 2.098 531 HB3 ARG 67 1HB ARG 67 -10.211 9.478 3.587 532 HG2 ARG 67 2HG ARG 67 -10.064 11.925 3.925 533 HG3 ARG 67 1HG ARG 67 -9.307 12.062 2.341 534 HD2 ARG 67 2HD ARG 67 -12.069 11.049 2.975 535 HD3 ARG 67 1HD ARG 67 -11.650 12.535 2.125 536 HE ARG 67 HE ARG 67 -11.201 9.821 1.046 537 HH11 ARG 67 1HH1 ARG 67 -11.859 13.235 0.570 538 HH12 ARG 67 2HH1 ARG 67 -12.239 13.042 -1.111 539 HH21 ARG 67 1HH2 ARG 67 -11.702 9.580 -1.152 540 HH22 ARG 67 2HH2 ARG 67 -12.143 10.988 -2.090 541 H LYS 68 H LYS 68 -9.550 9.125 5.792 542 HA LYS 68 HA LYS 68 -8.666 11.171 7.694 543 HB2 LYS 68 2HB LYS 68 -11.565 10.530 7.102 544 HB3 LYS 68 1HB LYS 68 -11.006 11.559 8.411 545 HG2 LYS 68 2HG LYS 68 -10.098 13.140 6.785 546 HG3 LYS 68 1HG LYS 68 -10.646 12.099 5.466 547 HD2 LYS 68 2HD LYS 68 -12.962 12.359 6.257 548 HD3 LYS 68 1HD LYS 68 -12.393 13.441 7.528 549 HE2 LYS 68 2HE LYS 68 -11.560 14.996 5.833 550 HE3 LYS 68 1HE LYS 68 -12.115 13.908 4.559 551 HZ1 LYS 68 3HZ LYS 68 -13.840 15.254 6.566 552 HZ2 LYS 68 1HZ LYS 68 -14.381 14.192 5.361 553 HZ3 LYS 68 2HZ LYS 68 -13.701 15.687 4.933 554 H GLY 69 H GLY 69 -10.048 10.579 9.873 555 HA2 GLY 69 2HA GLY 69 -10.775 8.907 11.346 556 HA3 GLY 69 1HA GLY 69 -10.295 7.693 10.169 557 H HIS 70 H HIS 70 -9.411 6.628 12.061 558 HA HIS 70 HA HIS 70 -7.619 5.829 13.200 559 HB2 HIS 70 2HB HIS 70 -6.058 7.970 11.739 560 HB3 HIS 70 1HB HIS 70 -5.337 6.738 12.770 561 HD1 HIS 70 1HD HIS 70 -4.927 4.466 11.753 562 HD2 HIS 70 2HD HIS 70 -7.196 6.953 9.315 563 HE1 HIS 70 1HE HIS 70 -5.070 3.296 9.530 564 HE2 HIS 70 2HE HIS 70 -6.659 4.703 8.175 565 H SER 71 H SER 71 -7.187 9.365 13.089 566 HA SER 71 HA SER 71 -7.121 9.337 16.031 567 HB2 SER 71 2HB SER 71 -4.840 9.569 15.051 568 HB3 SER 71 1HB SER 71 -5.375 11.022 14.213 569 HG SER 71 HG SER 71 -4.253 11.156 16.394 570 H GLU 72 H GLU 72 -7.379 11.652 16.882 571 HA GLU 72 HA GLU 72 -9.574 12.910 15.387 572 HB2 GLU 72 2HB GLU 72 -9.731 13.994 17.898 573 HB3 GLU 72 1HB GLU 72 -10.666 12.622 17.330 574 HG2 GLU 72 2HG GLU 72 -9.759 12.089 19.465 575 HG3 GLU 72 1HG GLU 72 -8.928 11.116 18.255 576 H GLY 73 H GLY 73 -6.538 13.531 17.058 577 HA2 GLY 73 2HA GLY 73 -6.228 15.964 15.508 578 HA3 GLY 73 1HA GLY 73 -6.381 16.217 17.239 579 H GLY 74 H GLY 74 -4.780 13.467 15.738 580 HA2 GLY 74 2HA GLY 74 -2.160 14.488 15.785 581 HA3 GLY 74 1HA GLY 74 -2.476 13.683 17.316 Start of MODEL 18 1 H1 VAL 1 1HT VAL 1 11.617 -3.312 5.406 2 H2 VAL 1 2HT VAL 1 13.185 -2.779 5.051 3 H3 VAL 1 3HT VAL 1 12.060 -3.005 3.799 4 HA VAL 1 HA VAL 1 12.367 -0.655 4.324 5 HB VAL 1 HB VAL 1 10.182 -1.598 3.495 6 HG11 VAL 1 2HG1 VAL 1 8.297 -1.736 5.027 7 HG12 VAL 1 3HG1 VAL 1 9.355 -1.349 6.386 8 HG13 VAL 1 1HG1 VAL 1 9.571 -2.860 5.500 9 HG21 VAL 1 1HG2 VAL 1 9.999 0.844 5.251 10 HG22 VAL 1 2HG2 VAL 1 8.893 0.423 3.943 11 HG23 VAL 1 3HG2 VAL 1 10.578 0.803 3.585 12 H ASP 2 H ASP 2 12.074 1.078 5.836 13 HA ASP 2 HA ASP 2 12.412 0.394 8.610 14 HB2 ASP 2 2HB ASP 2 12.577 2.725 9.047 15 HB3 ASP 2 1HB ASP 2 13.351 2.493 7.485 16 H MET 3 H MET 3 10.906 0.610 10.258 17 HA MET 3 HA MET 3 8.134 0.936 9.339 18 HB2 MET 3 2HB MET 3 9.089 -0.786 11.627 19 HB3 MET 3 1HB MET 3 7.464 -0.684 10.983 20 HG2 MET 3 2HG MET 3 8.521 -1.480 8.770 21 HG3 MET 3 1HG MET 3 9.879 -1.966 9.781 22 HE1 MET 3 3HE MET 3 6.296 -2.621 8.618 23 HE2 MET 3 1HE MET 3 5.940 -2.073 10.256 24 HE3 MET 3 2HE MET 3 5.646 -3.754 9.807 25 H SER 4 H SER 4 10.169 2.794 10.440 26 HA SER 4 HA SER 4 9.069 3.533 13.030 27 HB2 SER 4 2HB SER 4 11.328 4.835 11.488 28 HB3 SER 4 1HB SER 4 10.939 5.061 13.195 29 HG SER 4 HG SER 4 12.623 3.590 13.040 30 H ASN 5 H ASN 5 9.439 4.857 9.749 31 HA ASN 5 HA ASN 5 7.902 7.209 10.572 32 HB2 ASN 5 2HB ASN 5 9.070 8.386 9.069 33 HB3 ASN 5 1HB ASN 5 10.130 6.987 8.980 34 HD21 ASN 5 1HD2 ASN 5 9.805 5.471 7.333 35 HD22 ASN 5 2HD2 ASN 5 9.099 5.966 5.834 36 H VAL 6 H VAL 6 7.242 4.233 9.389 37 HA VAL 6 HA VAL 6 5.458 5.142 7.297 38 HB VAL 6 HB VAL 6 6.905 3.121 7.004 39 HG11 VAL 6 1HG1 VAL 6 6.151 0.988 7.909 40 HG12 VAL 6 2HG1 VAL 6 4.962 1.833 8.902 41 HG13 VAL 6 3HG1 VAL 6 6.684 2.095 9.177 42 HG21 VAL 6 3HG2 VAL 6 5.059 1.767 5.971 43 HG22 VAL 6 1HG2 VAL 6 5.165 3.461 5.486 44 HG23 VAL 6 2HG2 VAL 6 3.940 2.949 6.646 45 H VAL 7 H VAL 7 3.373 5.496 7.587 46 HA VAL 7 HA VAL 7 2.272 5.226 10.232 47 HB VAL 7 HB VAL 7 0.173 6.209 9.152 48 HG11 VAL 7 1HG1 VAL 7 2.762 7.750 9.032 49 HG12 VAL 7 2HG1 VAL 7 1.730 7.543 10.448 50 HG13 VAL 7 3HG1 VAL 7 1.148 8.461 9.057 51 HG21 VAL 7 3HG2 VAL 7 0.729 5.562 6.828 52 HG22 VAL 7 1HG2 VAL 7 2.083 6.701 6.866 53 HG23 VAL 7 2HG2 VAL 7 0.422 7.288 7.003 54 H LYS 8 H LYS 8 2.128 3.473 7.269 55 HA LYS 8 HA LYS 8 0.959 1.264 8.599 56 HB2 LYS 8 2HB LYS 8 -1.098 2.503 8.227 57 HB3 LYS 8 1HB LYS 8 -0.759 2.606 6.504 58 HG2 LYS 8 2HG LYS 8 -2.384 0.887 6.905 59 HG3 LYS 8 1HG LYS 8 -0.864 0.131 6.411 60 HD2 LYS 8 2HD LYS 8 -1.786 -1.097 8.267 61 HD3 LYS 8 1HD LYS 8 -0.329 -0.247 8.784 62 HE2 LYS 8 2HE LYS 8 -1.704 1.518 9.765 63 HE3 LYS 8 1HE LYS 8 -3.161 0.656 9.268 64 HZ1 LYS 8 3HZ LYS 8 -2.717 -1.083 10.754 65 HZ2 LYS 8 1HZ LYS 8 -2.417 0.333 11.641 66 HZ3 LYS 8 2HZ LYS 8 -1.121 -0.577 11.025 67 H THR 9 H THR 9 1.596 -0.527 7.713 68 HA THR 9 HA THR 9 2.601 -0.474 4.956 69 HB THR 9 HB THR 9 3.519 -1.949 7.396 70 HG1 THR 9 1HG THR 9 4.770 -0.229 6.996 71 HG21 THR 9 3HG2 THR 9 4.117 -2.815 4.565 72 HG22 THR 9 1HG2 THR 9 3.170 -3.723 5.745 73 HG23 THR 9 2HG2 THR 9 4.890 -3.446 6.021 74 H TYR 10 H TYR 10 1.929 -2.007 3.555 75 HA TYR 10 HA TYR 10 -0.312 -3.667 4.441 76 HB2 TYR 10 2HB TYR 10 0.028 -2.064 1.932 77 HB3 TYR 10 1HB TYR 10 -1.103 -3.420 2.020 78 HD1 TYR 10 2HD TYR 10 -2.339 -3.358 4.469 79 HD2 TYR 10 1HD TYR 10 -1.063 -0.020 2.178 80 HE1 TYR 10 2HE TYR 10 -3.971 -1.974 5.627 81 HE2 TYR 10 1HE TYR 10 -2.704 1.408 3.332 82 HH TYR 10 HH TYR 10 -4.416 0.355 6.143 83 H ASP 11 H ASP 11 -0.335 -5.610 4.115 84 HA ASP 11 HA ASP 11 1.925 -6.822 2.685 85 HB2 ASP 11 2HB ASP 11 0.052 -8.082 4.719 86 HB3 ASP 11 1HB ASP 11 1.432 -8.866 3.958 87 H LEU 12 H LEU 12 1.575 -7.821 0.891 88 HA LEU 12 HA LEU 12 -1.054 -7.625 -0.276 89 HB2 LEU 12 2HB LEU 12 1.624 -8.406 -1.347 90 HB3 LEU 12 1HB LEU 12 0.166 -8.730 -2.276 91 HG LEU 12 HG LEU 12 -0.391 -6.297 -2.063 92 HD11 LEU 12 1HD1 LEU 12 2.427 -6.067 -1.103 93 HD12 LEU 12 2HD1 LEU 12 0.964 -5.741 -0.169 94 HD13 LEU 12 3HD1 LEU 12 1.367 -4.732 -1.558 95 HD21 LEU 12 3HD2 LEU 12 1.874 -7.397 -3.608 96 HD22 LEU 12 1HD2 LEU 12 1.549 -5.663 -3.691 97 HD23 LEU 12 2HD2 LEU 12 0.303 -6.821 -4.156 98 H GLN 13 H GLN 13 0.299 -9.941 1.624 99 HA GLN 13 HA GLN 13 -0.952 -11.666 2.514 100 HB2 GLN 13 2HB GLN 13 -2.982 -10.694 1.416 101 HB3 GLN 13 1HB GLN 13 -2.605 -11.633 -0.019 102 HG2 GLN 13 2HG GLN 13 -2.842 -13.695 1.269 103 HG3 GLN 13 1HG GLN 13 -3.231 -12.742 2.706 104 HE21 GLN 13 1HE2 GLN 13 -4.320 -13.731 -0.456 105 HE22 GLN 13 2HE2 GLN 13 -5.984 -13.316 -0.235 106 H ASP 14 H ASP 14 0.315 -11.564 -0.677 107 HA ASP 14 HA ASP 14 0.760 -14.463 -0.727 108 HB2 ASP 14 2HB ASP 14 -0.312 -13.598 -2.725 109 HB3 ASP 14 1HB ASP 14 0.934 -12.367 -2.903 110 H GLY 15 H GLY 15 2.418 -11.382 -1.294 111 HA2 GLY 15 2HA GLY 15 4.775 -12.369 0.009 112 HA3 GLY 15 1HA GLY 15 4.961 -12.292 -1.723 113 H SER 16 H SER 16 3.778 -9.896 -2.376 114 HA SER 16 HA SER 16 5.990 -8.240 -1.709 115 HB2 SER 16 2HB SER 16 3.490 -7.332 -3.102 116 HB3 SER 16 1HB SER 16 5.118 -6.703 -3.275 117 HG SER 16 HG SER 16 4.124 -8.328 -4.902 118 H LYS 17 H LYS 17 5.847 -6.060 -0.851 119 HA LYS 17 HA LYS 17 3.519 -5.634 0.909 120 HB2 LYS 17 2HB LYS 17 6.394 -4.886 1.526 121 HB3 LYS 17 1HB LYS 17 5.008 -4.689 2.590 122 HG2 LYS 17 2HG LYS 17 4.788 -7.195 2.588 123 HG3 LYS 17 1HG LYS 17 6.347 -7.243 1.745 124 HD2 LYS 17 2HD LYS 17 7.397 -6.040 3.580 125 HD3 LYS 17 1HD LYS 17 5.849 -5.926 4.418 126 HE2 LYS 17 2HE LYS 17 7.324 -8.473 3.756 127 HE3 LYS 17 1HE LYS 17 7.240 -7.712 5.341 128 HZ1 LYS 17 3HZ LYS 17 5.067 -9.023 3.823 129 HZ2 LYS 17 1HZ LYS 17 4.742 -7.976 5.121 130 HZ3 LYS 17 2HZ LYS 17 5.645 -9.392 5.373 131 H VAL 18 H VAL 18 2.802 -3.570 1.114 132 HA VAL 18 HA VAL 18 4.119 -1.464 -0.491 133 HB VAL 18 HB VAL 18 1.170 -2.035 -0.048 134 HG11 VAL 18 1HG1 VAL 18 1.516 0.367 0.221 135 HG12 VAL 18 2HG1 VAL 18 0.698 0.034 -1.304 136 HG13 VAL 18 3HG1 VAL 18 2.417 0.426 -1.294 137 HG21 VAL 18 3HG2 VAL 18 2.321 -3.237 -1.887 138 HG22 VAL 18 1HG2 VAL 18 2.748 -1.688 -2.605 139 HG23 VAL 18 2HG2 VAL 18 1.053 -2.157 -2.463 140 H HIS 19 H HIS 19 4.229 0.601 0.537 141 HA HIS 19 HA HIS 19 3.154 0.675 3.270 142 HB2 HIS 19 2HB HIS 19 5.831 1.889 2.790 143 HB3 HIS 19 1HB HIS 19 5.130 1.288 4.281 144 HD1 HIS 19 1HD HIS 19 4.662 -1.599 3.799 145 HD2 HIS 19 2HD HIS 19 7.945 0.408 2.300 146 HE1 HIS 19 1HE HIS 19 6.348 -3.389 3.284 147 HE2 HIS 19 2HE HIS 19 8.391 -2.147 2.488 148 H VAL 20 H VAL 20 2.201 2.490 3.814 149 HA VAL 20 HA VAL 20 2.606 4.839 2.097 150 HB VAL 20 HB VAL 20 0.424 4.310 4.137 151 HG11 VAL 20 1HG1 VAL 20 -0.597 6.373 3.281 152 HG12 VAL 20 2HG1 VAL 20 0.785 6.620 2.214 153 HG13 VAL 20 3HG1 VAL 20 0.998 6.693 3.963 154 HG21 VAL 20 3HG2 VAL 20 0.260 4.418 1.123 155 HG22 VAL 20 1HG2 VAL 20 -1.078 4.136 2.234 156 HG23 VAL 20 2HG2 VAL 20 0.215 2.945 2.093 157 H PHE 21 H PHE 21 3.983 6.269 2.860 158 HA PHE 21 HA PHE 21 4.956 5.875 5.579 159 HB2 PHE 21 2HB PHE 21 6.103 7.347 3.201 160 HB3 PHE 21 1HB PHE 21 6.860 7.314 4.792 161 HD1 PHE 21 2HD PHE 21 7.676 5.095 5.735 162 HD2 PHE 21 1HD PHE 21 6.310 5.550 1.707 163 HE1 PHE 21 2HE PHE 21 8.741 2.974 5.125 164 HE2 PHE 21 1HE PHE 21 7.389 3.425 1.112 165 HZ PHE 21 HZ PHE 21 8.697 2.164 2.906 166 H LYS 22 H LYS 22 5.519 7.804 6.889 167 HA LYS 22 HA LYS 22 3.200 9.437 7.164 168 HB2 LYS 22 2HB LYS 22 4.259 10.319 9.103 169 HB3 LYS 22 1HB LYS 22 4.759 8.635 9.006 170 HG2 LYS 22 2HG LYS 22 6.870 9.262 8.077 171 HG3 LYS 22 1HG LYS 22 6.402 10.963 8.080 172 HD2 LYS 22 2HD LYS 22 6.635 9.221 10.539 173 HD3 LYS 22 1HD LYS 22 7.853 10.373 9.994 174 HE2 LYS 22 2HE LYS 22 5.014 11.115 10.698 175 HE3 LYS 22 1HE LYS 22 6.373 11.228 11.813 176 HZ1 LYS 22 3HZ LYS 22 6.047 12.721 9.262 177 HZ2 LYS 22 1HZ LYS 22 7.446 12.759 10.221 178 HZ3 LYS 22 2HZ LYS 22 5.985 13.360 10.828 179 H ASP 23 H ASP 23 6.070 9.693 5.401 180 HA ASP 23 HA ASP 23 6.174 12.534 5.132 181 HB2 ASP 23 2HB ASP 23 8.192 11.074 4.980 182 HB3 ASP 23 1HB ASP 23 7.522 10.339 3.532 183 H GLY 24 H GLY 24 4.271 10.087 4.081 184 HA2 GLY 24 2HA GLY 24 2.367 10.365 2.827 185 HA3 GLY 24 1HA GLY 24 3.084 11.776 2.095 186 H LYS 25 H LYS 25 5.506 9.669 1.812 187 HA LYS 25 HA LYS 25 4.870 9.003 -0.891 188 HB2 LYS 25 2HB LYS 25 7.213 8.374 0.874 189 HB3 LYS 25 1HB LYS 25 7.085 7.842 -0.799 190 HG2 LYS 25 2HG LYS 25 6.924 10.149 -1.530 191 HG3 LYS 25 1HG LYS 25 7.032 10.678 0.140 192 HD2 LYS 25 2HD LYS 25 9.128 9.080 -1.279 193 HD3 LYS 25 1HD LYS 25 9.168 10.832 -1.101 194 HE2 LYS 25 2HE LYS 25 10.508 10.137 0.656 195 HE3 LYS 25 1HE LYS 25 8.939 10.322 1.433 196 HZ1 LYS 25 3HZ LYS 25 8.608 7.936 1.217 197 HZ2 LYS 25 1HZ LYS 25 10.003 8.279 2.112 198 HZ3 LYS 25 2HZ LYS 25 10.128 7.763 0.497 199 H MET 26 H MET 26 5.526 6.737 -1.573 200 HA MET 26 HA MET 26 4.510 4.688 0.247 201 HB2 MET 26 2HB MET 26 3.677 4.960 -2.649 202 HB3 MET 26 1HB MET 26 3.259 3.628 -1.585 203 HG2 MET 26 2HG MET 26 1.346 4.878 -1.516 204 HG3 MET 26 1HG MET 26 2.208 5.497 -0.109 205 HE1 MET 26 3HE MET 26 2.977 6.222 -3.905 206 HE2 MET 26 1HE MET 26 2.028 7.683 -4.176 207 HE3 MET 26 2HE MET 26 1.215 6.151 -3.856 208 H GLY 27 H GLY 27 5.580 2.788 0.130 209 HA2 GLY 27 2HA GLY 27 7.563 2.494 -2.029 210 HA3 GLY 27 1HA GLY 27 8.003 2.235 -0.350 211 H MET 28 H MET 28 7.902 0.428 -2.772 212 HA MET 28 HA MET 28 6.166 -1.641 -1.605 213 HB2 MET 28 2HB MET 28 5.407 -0.855 -3.822 214 HB3 MET 28 1HB MET 28 6.964 -1.319 -4.500 215 HG2 MET 28 2HG MET 28 6.509 -3.656 -3.817 216 HG3 MET 28 1HG MET 28 4.906 -3.149 -3.290 217 HE1 MET 28 3HE MET 28 5.302 -5.525 -5.326 218 HE2 MET 28 1HE MET 28 4.073 -5.143 -6.532 219 HE3 MET 28 2HE MET 28 3.721 -4.932 -4.817 220 H GLU 29 H GLU 29 6.972 -3.633 -1.283 221 HA GLU 29 HA GLU 29 9.688 -4.236 -2.234 222 HB2 GLU 29 2HB GLU 29 8.511 -4.624 0.508 223 HB3 GLU 29 1HB GLU 29 9.784 -5.690 -0.073 224 HG2 GLU 29 2HG GLU 29 11.341 -3.975 -0.192 225 HG3 GLU 29 1HG GLU 29 10.102 -2.722 -0.139 226 H ASN 30 H ASN 30 10.004 -6.424 -2.848 227 HA ASN 30 HA ASN 30 7.506 -7.742 -3.542 228 HB2 ASN 30 2HB ASN 30 8.918 -9.294 -4.851 229 HB3 ASN 30 1HB ASN 30 9.192 -7.612 -5.286 230 HD21 ASN 30 1HD2 ASN 30 11.191 -8.290 -6.181 231 HD22 ASN 30 2HD2 ASN 30 12.552 -8.586 -5.161 232 H LYS 31 H LYS 31 7.425 -10.171 -3.290 233 HA LYS 31 HA LYS 31 7.463 -11.053 -0.732 234 HB2 LYS 31 2HB LYS 31 7.264 -13.286 -1.587 235 HB3 LYS 31 1HB LYS 31 6.418 -12.177 -2.653 236 HG2 LYS 31 2HG LYS 31 8.410 -12.203 -4.147 237 HG3 LYS 31 1HG LYS 31 9.067 -13.496 -3.137 238 HD2 LYS 31 2HD LYS 31 7.954 -14.485 -5.029 239 HD3 LYS 31 1HD LYS 31 7.006 -14.812 -3.575 240 HE2 LYS 31 2HE LYS 31 5.511 -12.966 -4.132 241 HE3 LYS 31 1HE LYS 31 6.462 -12.622 -5.575 242 HZ1 LYS 31 3HZ LYS 31 5.894 -14.825 -6.419 243 HZ2 LYS 31 1HZ LYS 31 4.502 -13.899 -6.122 244 HZ3 LYS 31 2HZ LYS 31 4.952 -15.125 -5.041 245 H PHE 32 H PHE 32 10.289 -10.546 -2.595 246 HA PHE 32 HA PHE 32 11.873 -12.420 -1.025 247 HB2 PHE 32 2HB PHE 32 12.729 -10.573 -3.264 248 HB3 PHE 32 1HB PHE 32 13.700 -11.850 -2.540 249 HD1 PHE 32 1HD PHE 32 13.104 -14.220 -2.925 250 HD2 PHE 32 2HD PHE 32 11.110 -11.042 -4.928 251 HE1 PHE 32 1HE PHE 32 12.240 -15.815 -4.588 252 HE2 PHE 32 2HE PHE 32 10.241 -12.630 -6.593 253 HZ PHE 32 HZ PHE 32 10.805 -15.018 -6.423 254 H GLY 33 H GLY 33 10.751 -9.297 -0.722 255 HA2 GLY 33 2HA GLY 33 11.211 -7.890 1.071 256 HA3 GLY 33 1HA GLY 33 12.705 -8.768 1.361 257 H LYS 34 H LYS 34 12.015 -7.777 -1.832 258 HA LYS 34 HA LYS 34 14.203 -5.822 -1.615 259 HB2 LYS 34 2HB LYS 34 13.187 -7.374 -3.990 260 HB3 LYS 34 1HB LYS 34 14.466 -6.166 -4.059 261 HG2 LYS 34 2HG LYS 34 14.606 -8.518 -2.243 262 HG3 LYS 34 1HG LYS 34 15.158 -8.605 -3.911 263 HD2 LYS 34 2HD LYS 34 16.693 -6.715 -3.436 264 HD3 LYS 34 1HD LYS 34 16.163 -6.745 -1.753 265 HE2 LYS 34 2HE LYS 34 17.594 -8.936 -3.250 266 HE3 LYS 34 1HE LYS 34 18.249 -7.934 -1.956 267 HZ1 LYS 34 3HZ LYS 34 16.549 -8.907 -0.468 268 HZ2 LYS 34 1HZ LYS 34 17.638 -10.057 -1.079 269 HZ3 LYS 34 2HZ LYS 34 16.080 -9.948 -1.724 270 H SER 35 H SER 35 14.065 -3.862 -2.356 271 HA SER 35 HA SER 35 11.474 -2.669 -2.438 272 HB2 SER 35 2HB SER 35 12.753 -0.556 -2.860 273 HB3 SER 35 1HB SER 35 13.286 -1.448 -1.438 274 HG SER 35 HG SER 35 14.961 -2.349 -2.810 275 H MET 36 H MET 36 10.242 -2.080 -4.120 276 HA MET 36 HA MET 36 11.334 -1.924 -6.796 277 HB2 MET 36 2HB MET 36 9.719 -3.585 -7.714 278 HB3 MET 36 1HB MET 36 10.949 -4.304 -6.686 279 HG2 MET 36 2HG MET 36 9.422 -4.611 -4.910 280 HG3 MET 36 1HG MET 36 8.214 -3.586 -5.677 281 HE1 MET 36 3HE MET 36 6.885 -5.733 -8.584 282 HE2 MET 36 1HE MET 36 8.117 -4.472 -8.641 283 HE3 MET 36 2HE MET 36 6.693 -4.267 -7.620 284 H ASN 37 H ASN 37 9.451 -1.546 -8.386 285 HA ASN 37 HA ASN 37 7.348 0.051 -7.091 286 HB2 ASN 37 2HB ASN 37 7.415 1.567 -9.055 287 HB3 ASN 37 1HB ASN 37 8.927 1.569 -8.158 288 HD21 ASN 37 1HD2 ASN 37 10.754 0.611 -9.055 289 HD22 ASN 37 2HD2 ASN 37 10.861 0.267 -10.751 290 H MET 38 H MET 38 5.300 -0.162 -7.917 291 HA MET 38 HA MET 38 4.912 -2.471 -9.660 292 HB2 MET 38 2HB MET 38 2.650 -2.548 -8.744 293 HB3 MET 38 1HB MET 38 3.847 -2.587 -7.462 294 HG2 MET 38 2HG MET 38 3.469 -0.112 -7.201 295 HG3 MET 38 1HG MET 38 2.092 -0.302 -8.291 296 HE1 MET 38 3HE MET 38 2.058 0.839 -5.229 297 HE2 MET 38 1HE MET 38 0.543 0.128 -4.667 298 HE3 MET 38 2HE MET 38 0.645 0.822 -6.287 299 HA PRO 39 HA PRO 39 3.400 0.013 -12.965 300 HB2 PRO 39 2HB PRO 39 1.601 -1.698 -14.071 301 HB3 PRO 39 1HB PRO 39 3.349 -1.903 -14.231 302 HG2 PRO 39 2HG PRO 39 1.454 -3.234 -12.330 303 HG3 PRO 39 1HG PRO 39 2.772 -3.953 -13.278 304 HD2 PRO 39 2HD PRO 39 3.046 -3.353 -10.665 305 HD3 PRO 39 1HD PRO 39 4.397 -3.207 -11.806 306 H GLU 40 H GLU 40 1.823 1.469 -13.328 307 HA GLU 40 HA GLU 40 -0.268 1.794 -11.417 308 HB2 GLU 40 2HB GLU 40 0.876 3.680 -12.560 309 HB3 GLU 40 1HB GLU 40 0.145 3.174 -14.079 310 HG2 GLU 40 2HG GLU 40 -2.089 3.484 -12.961 311 HG3 GLU 40 1HG GLU 40 -1.217 4.258 -11.638 312 H GLY 41 H GLY 41 -2.409 1.224 -11.563 313 HA2 GLY 41 2HA GLY 41 -4.367 0.952 -12.979 314 HA3 GLY 41 1HA GLY 41 -3.329 0.179 -14.165 315 H LYS 42 H LYS 42 -2.075 -1.224 -11.652 316 HA LYS 42 HA LYS 42 -3.966 -3.450 -11.781 317 HB2 LYS 42 2HB LYS 42 -1.091 -3.275 -10.923 318 HB3 LYS 42 1HB LYS 42 -2.070 -4.710 -10.672 319 HG2 LYS 42 2HG LYS 42 -1.337 -3.460 -13.311 320 HG3 LYS 42 1HG LYS 42 -0.771 -5.004 -12.665 321 HD2 LYS 42 2HD LYS 42 -3.097 -5.832 -12.695 322 HD3 LYS 42 1HD LYS 42 -3.611 -4.307 -13.419 323 HE2 LYS 42 2HE LYS 42 -3.394 -5.888 -15.177 324 HE3 LYS 42 1HE LYS 42 -2.033 -4.774 -15.305 325 HZ1 LYS 42 3HZ LYS 42 -0.638 -6.420 -14.199 326 HZ2 LYS 42 1HZ LYS 42 -1.325 -7.050 -15.617 327 HZ3 LYS 42 2HZ LYS 42 -1.952 -7.493 -14.103 328 H VAL 43 H VAL 43 -5.162 -4.090 -10.132 329 HA VAL 43 HA VAL 43 -4.675 -2.852 -7.529 330 HB VAL 43 HB VAL 43 -6.960 -2.653 -8.477 331 HG11 VAL 43 1HG1 VAL 43 -7.158 -4.766 -9.628 332 HG12 VAL 43 2HG1 VAL 43 -8.451 -4.607 -8.438 333 HG13 VAL 43 3HG1 VAL 43 -7.060 -5.639 -8.101 334 HG21 VAL 43 3HG2 VAL 43 -8.154 -3.276 -6.436 335 HG22 VAL 43 1HG2 VAL 43 -6.614 -2.489 -6.084 336 HG23 VAL 43 2HG2 VAL 43 -6.769 -4.239 -5.926 337 H MET 44 H MET 44 -4.090 -3.968 -5.789 338 HA MET 44 HA MET 44 -3.612 -6.857 -6.138 339 HB2 MET 44 2HB MET 44 -2.027 -4.745 -4.689 340 HB3 MET 44 1HB MET 44 -1.863 -6.445 -4.281 341 HG2 MET 44 2HG MET 44 -0.102 -5.841 -5.764 342 HG3 MET 44 1HG MET 44 -1.217 -6.902 -6.620 343 HE1 MET 44 3HE MET 44 -0.112 -3.153 -6.078 344 HE2 MET 44 1HE MET 44 -1.859 -3.114 -5.823 345 HE3 MET 44 2HE MET 44 -1.155 -2.326 -7.235 346 H GLU 45 H GLU 45 -3.970 -8.205 -4.337 347 HA GLU 45 HA GLU 45 -5.941 -7.148 -2.477 348 HB2 GLU 45 2HB GLU 45 -6.536 -9.163 -3.690 349 HB3 GLU 45 1HB GLU 45 -5.067 -9.965 -3.148 350 HG2 GLU 45 2HG GLU 45 -5.843 -10.137 -0.959 351 HG3 GLU 45 1HG GLU 45 -7.147 -8.982 -1.233 352 H THR 46 H THR 46 -5.714 -7.355 -0.273 353 HA THR 46 HA THR 46 -2.914 -7.633 0.652 354 HB THR 46 HB THR 46 -3.497 -6.009 2.432 355 HG1 THR 46 1HG THR 46 -5.912 -5.811 0.925 356 HG21 THR 46 3HG2 THR 46 -2.363 -5.248 0.411 357 HG22 THR 46 1HG2 THR 46 -3.482 -4.018 0.997 358 HG23 THR 46 2HG2 THR 46 -3.918 -5.019 -0.387 359 H ARG 47 H ARG 47 -2.610 -8.346 2.861 360 HA ARG 47 HA ARG 47 -3.821 -10.652 3.659 361 HB2 ARG 47 2HB ARG 47 -2.370 -8.497 5.132 362 HB3 ARG 47 1HB ARG 47 -3.095 -9.813 6.036 363 HG2 ARG 47 2HG ARG 47 -1.073 -10.110 3.828 364 HG3 ARG 47 1HG ARG 47 -0.722 -10.188 5.558 365 HD2 ARG 47 2HD ARG 47 -2.452 -12.063 3.956 366 HD3 ARG 47 1HD ARG 47 -0.894 -12.419 4.694 367 HE ARG 47 HE ARG 47 -2.350 -11.731 6.835 368 HH11 ARG 47 1HH1 ARG 47 -3.026 -13.902 4.174 369 HH12 ARG 47 2HH1 ARG 47 -4.071 -14.935 5.099 370 HH21 ARG 47 1HH2 ARG 47 -3.699 -13.100 8.075 371 HH22 ARG 47 2HH2 ARG 47 -4.466 -14.471 7.325 372 H ASP 48 H ASP 48 -5.008 -7.445 4.107 373 HA ASP 48 HA ASP 48 -6.652 -8.068 6.383 374 HB2 ASP 48 2HB ASP 48 -5.588 -5.922 6.267 375 HB3 ASP 48 1HB ASP 48 -6.299 -5.591 4.692 376 H GLY 49 H GLY 49 -6.970 -8.569 3.092 377 HA2 GLY 49 2HA GLY 49 -8.841 -9.537 2.061 378 HA3 GLY 49 1HA GLY 49 -9.843 -8.971 3.391 379 H THR 50 H THR 50 -7.685 -6.699 2.120 380 HA THR 50 HA THR 50 -9.898 -5.295 0.783 381 HB THR 50 HB THR 50 -7.862 -3.462 1.342 382 HG1 THR 50 1HG THR 50 -8.395 -4.690 3.810 383 HG21 THR 50 3HG2 THR 50 -10.345 -3.995 2.976 384 HG22 THR 50 1HG2 THR 50 -10.298 -3.066 1.474 385 HG23 THR 50 2HG2 THR 50 -9.433 -2.486 2.896 386 H LYS 51 H LYS 51 -8.937 -3.582 -0.794 387 HA LYS 51 HA LYS 51 -6.844 -4.885 -2.412 388 HB2 LYS 51 2HB LYS 51 -9.085 -3.140 -3.445 389 HB3 LYS 51 1HB LYS 51 -7.959 -4.100 -4.391 390 HG2 LYS 51 2HG LYS 51 -9.974 -5.281 -2.499 391 HG3 LYS 51 1HG LYS 51 -10.269 -5.025 -4.218 392 HD2 LYS 51 2HD LYS 51 -8.311 -6.470 -4.716 393 HD3 LYS 51 1HD LYS 51 -8.153 -6.789 -2.986 394 HE2 LYS 51 2HE LYS 51 -10.330 -7.802 -2.916 395 HE3 LYS 51 1HE LYS 51 -10.642 -7.347 -4.590 396 HZ1 LYS 51 3HZ LYS 51 -8.733 -8.803 -5.209 397 HZ2 LYS 51 1HZ LYS 51 -10.064 -9.624 -4.549 398 HZ3 LYS 51 2HZ LYS 51 -8.692 -9.353 -3.600 399 H ILE 52 H ILE 52 -5.286 -3.562 -3.335 400 HA ILE 52 HA ILE 52 -5.493 -0.663 -2.899 401 HB ILE 52 HB ILE 52 -3.041 -0.590 -2.429 402 HG12 ILE 52 2HG1 ILE 52 -3.338 -3.586 -2.095 403 HG13 ILE 52 1HG1 ILE 52 -2.498 -2.798 -3.426 404 HG21 ILE 52 1HG2 ILE 52 -4.650 -2.209 -0.453 405 HG22 ILE 52 2HG2 ILE 52 -4.674 -0.452 -0.608 406 HG23 ILE 52 3HG2 ILE 52 -3.201 -1.271 -0.091 407 HD11 ILE 52 3HD1 ILE 52 -1.728 -2.696 -0.520 408 HD12 ILE 52 1HD1 ILE 52 -0.897 -1.850 -1.824 409 HD13 ILE 52 2HD1 ILE 52 -0.925 -3.613 -1.790 410 H ILE 53 H ILE 53 -4.339 0.607 -4.396 411 HA ILE 53 HA ILE 53 -2.835 -0.595 -6.515 412 HB ILE 53 HB ILE 53 -4.770 -1.110 -7.697 413 HG12 ILE 53 2HG1 ILE 53 -3.905 1.647 -8.563 414 HG13 ILE 53 1HG1 ILE 53 -3.370 0.098 -9.196 415 HG21 ILE 53 1HG2 ILE 53 -6.385 -0.079 -6.221 416 HG22 ILE 53 2HG2 ILE 53 -6.739 0.328 -7.901 417 HG23 ILE 53 3HG2 ILE 53 -5.972 1.517 -6.846 418 HD11 ILE 53 3HD1 ILE 53 -6.150 1.207 -9.485 419 HD12 ILE 53 1HD1 ILE 53 -5.522 -0.273 -10.209 420 HD13 ILE 53 2HD1 ILE 53 -4.884 1.297 -10.711 421 H MET 54 H MET 54 -1.798 0.986 -7.882 422 HA MET 54 HA MET 54 -1.841 3.692 -6.719 423 HB2 MET 54 2HB MET 54 0.355 2.542 -6.545 424 HB3 MET 54 1HB MET 54 0.377 2.359 -8.295 425 HG2 MET 54 2HG MET 54 0.321 4.820 -8.514 426 HG3 MET 54 1HG MET 54 0.414 4.946 -6.759 427 HE1 MET 54 3HE MET 54 2.239 2.395 -9.158 428 HE2 MET 54 1HE MET 54 3.760 3.241 -9.438 429 HE3 MET 54 2HE MET 54 2.248 3.917 -10.047 430 H LYS 55 H LYS 55 -3.130 4.912 -7.940 431 HA LYS 55 HA LYS 55 -2.749 4.792 -10.857 432 HB2 LYS 55 2HB LYS 55 -4.936 3.779 -10.183 433 HB3 LYS 55 1HB LYS 55 -5.385 5.319 -9.464 434 HG2 LYS 55 2HG LYS 55 -6.405 5.086 -11.643 435 HG3 LYS 55 1HG LYS 55 -5.210 6.384 -11.671 436 HD2 LYS 55 2HD LYS 55 -3.573 4.768 -12.632 437 HD3 LYS 55 1HD LYS 55 -4.874 3.580 -12.738 438 HE2 LYS 55 2HE LYS 55 -6.102 5.005 -14.258 439 HE3 LYS 55 1HE LYS 55 -4.905 6.288 -14.071 440 HZ1 LYS 55 3HZ LYS 55 -4.456 3.622 -15.311 441 HZ2 LYS 55 1HZ LYS 55 -3.243 4.783 -15.045 442 HZ3 LYS 55 2HZ LYS 55 -4.515 5.115 -16.114 443 H GLY 56 H GLY 56 -2.328 6.712 -11.787 444 HA2 GLY 56 2HA GLY 56 -1.982 8.977 -12.013 445 HA3 GLY 56 1HA GLY 56 -3.170 9.219 -10.738 446 H ASN 57 H ASN 57 -0.331 7.252 -10.325 447 HA ASN 57 HA ASN 57 1.372 7.303 -8.831 448 HB2 ASN 57 2HB ASN 57 1.759 9.465 -10.307 449 HB3 ASN 57 1HB ASN 57 1.378 10.298 -8.804 450 HD21 ASN 57 1HD2 ASN 57 2.577 8.318 -7.079 451 HD22 ASN 57 2HD2 ASN 57 4.295 8.442 -7.289 452 H GLU 58 H GLU 58 -1.402 7.445 -7.958 453 HA GLU 58 HA GLU 58 -0.966 8.474 -5.229 454 HB2 GLU 58 2HB GLU 58 -3.575 8.418 -6.767 455 HB3 GLU 58 1HB GLU 58 -3.399 8.888 -5.082 456 HG2 GLU 58 2HG GLU 58 -1.981 10.768 -5.764 457 HG3 GLU 58 1HG GLU 58 -2.198 10.304 -7.451 458 H ILE 59 H ILE 59 -1.773 7.186 -3.549 459 HA ILE 59 HA ILE 59 -2.119 4.417 -4.370 460 HB ILE 59 HB ILE 59 -0.862 5.691 -2.111 461 HG12 ILE 59 2HG1 ILE 59 0.209 4.099 -3.618 462 HG13 ILE 59 1HG1 ILE 59 0.259 3.516 -1.957 463 HG21 ILE 59 1HG2 ILE 59 -1.516 4.112 -0.362 464 HG22 ILE 59 2HG2 ILE 59 -2.763 3.456 -1.425 465 HG23 ILE 59 3HG2 ILE 59 -2.870 5.125 -0.867 466 HD11 ILE 59 3HD1 ILE 59 -0.243 1.728 -3.533 467 HD12 ILE 59 1HD1 ILE 59 -1.683 2.599 -4.065 468 HD13 ILE 59 2HD1 ILE 59 -1.575 1.999 -2.408 469 H PHE 60 H PHE 60 -4.027 3.691 -4.663 470 HA PHE 60 HA PHE 60 -6.334 4.563 -3.149 471 HB2 PHE 60 2HB PHE 60 -7.001 3.973 -5.266 472 HB3 PHE 60 1HB PHE 60 -5.747 2.764 -5.447 473 HD1 PHE 60 1HD PHE 60 -6.091 0.570 -4.100 474 HD2 PHE 60 2HD PHE 60 -9.215 3.303 -5.001 475 HE1 PHE 60 1HE PHE 60 -7.702 -1.241 -3.886 476 HE2 PHE 60 2HE PHE 60 -10.863 1.482 -4.760 477 HZ PHE 60 HZ PHE 60 -10.098 -0.803 -4.204 478 H ARG 61 H ARG 61 -6.493 3.932 -1.124 479 HA ARG 61 HA ARG 61 -5.955 1.100 -0.558 480 HB2 ARG 61 2HB ARG 61 -4.563 2.325 0.929 481 HB3 ARG 61 1HB ARG 61 -5.799 3.535 1.229 482 HG2 ARG 61 2HG ARG 61 -5.389 2.019 3.139 483 HG3 ARG 61 1HG ARG 61 -7.058 2.017 2.572 484 HD2 ARG 61 2HD ARG 61 -6.587 -0.051 1.305 485 HD3 ARG 61 1HD ARG 61 -4.959 -0.069 1.978 486 HE ARG 61 HE ARG 61 -6.858 0.084 4.054 487 HH11 ARG 61 1HH1 ARG 61 -5.500 -2.165 1.745 488 HH12 ARG 61 2HH1 ARG 61 -5.915 -3.568 2.677 489 HH21 ARG 61 1HH2 ARG 61 -7.392 -1.727 5.291 490 HH22 ARG 61 2HH2 ARG 61 -7.006 -3.321 4.706 491 H LEU 62 H LEU 62 -7.756 0.075 -0.711 492 HA LEU 62 HA LEU 62 -9.933 -0.162 -1.485 493 HB2 LEU 62 2HB LEU 62 -11.542 -0.153 0.297 494 HB3 LEU 62 1HB LEU 62 -10.013 -0.778 0.876 495 HG LEU 62 HG LEU 62 -10.272 2.075 1.383 496 HD11 LEU 62 1HD1 LEU 62 -12.291 0.207 2.623 497 HD12 LEU 62 2HD1 LEU 62 -12.647 1.543 1.526 498 HD13 LEU 62 3HD1 LEU 62 -11.981 1.868 3.126 499 HD21 LEU 62 3HD2 LEU 62 -9.832 -0.358 3.112 500 HD22 LEU 62 1HD2 LEU 62 -9.654 1.315 3.645 501 HD23 LEU 62 2HD2 LEU 62 -8.584 0.665 2.398 502 H ASP 63 H ASP 63 -8.807 2.784 -1.553 503 HA ASP 63 HA ASP 63 -9.399 4.913 -1.899 504 HB2 ASP 63 2HB ASP 63 -10.286 4.027 -3.961 505 HB3 ASP 63 1HB ASP 63 -11.794 3.624 -3.167 506 H GLU 64 H GLU 64 -10.501 6.649 -1.121 507 HA GLU 64 HA GLU 64 -11.966 7.904 0.077 508 HB2 GLU 64 2HB GLU 64 -13.772 6.271 -0.525 509 HB3 GLU 64 1HB GLU 64 -13.386 5.388 0.946 510 HG2 GLU 64 2HG GLU 64 -13.810 7.558 2.186 511 HG3 GLU 64 1HG GLU 64 -14.500 8.159 0.678 512 H ALA 65 H ALA 65 -10.356 5.138 1.399 513 HA ALA 65 HA ALA 65 -10.352 5.835 4.120 514 HB1 ALA 65 1HB ALA 65 -9.377 3.760 2.896 515 HB2 ALA 65 2HB ALA 65 -8.602 4.339 4.373 516 HB3 ALA 65 3HB ALA 65 -7.904 4.727 2.800 517 H LEU 66 H LEU 66 -8.588 6.994 1.384 518 HA LEU 66 HA LEU 66 -6.970 8.816 2.990 519 HB2 LEU 66 2HB LEU 66 -6.952 8.434 0.006 520 HB3 LEU 66 1HB LEU 66 -5.707 9.170 1.002 521 HG LEU 66 HG LEU 66 -5.939 6.639 2.067 522 HD11 LEU 66 1HD1 LEU 66 -6.123 6.424 -0.933 523 HD12 LEU 66 2HD1 LEU 66 -7.363 5.926 0.216 524 HD13 LEU 66 3HD1 LEU 66 -5.805 5.098 0.185 525 HD21 LEU 66 3HD2 LEU 66 -4.035 7.627 -0.043 526 HD22 LEU 66 1HD2 LEU 66 -3.761 6.278 1.061 527 HD23 LEU 66 2HD2 LEU 66 -3.913 7.918 1.694 528 H ARG 67 H ARG 67 -9.743 8.677 0.986 529 HA ARG 67 HA ARG 67 -9.901 11.399 0.210 530 HB2 ARG 67 2HB ARG 67 -11.157 9.675 -0.967 531 HB3 ARG 67 1HB ARG 67 -12.066 9.305 0.488 532 HG2 ARG 67 2HG ARG 67 -13.047 11.527 0.425 533 HG3 ARG 67 1HG ARG 67 -12.140 11.890 -1.041 534 HD2 ARG 67 2HD ARG 67 -13.298 10.123 -2.228 535 HD3 ARG 67 1HD ARG 67 -14.150 9.662 -0.754 536 HE ARG 67 HE ARG 67 -14.825 12.262 -1.041 537 HH11 ARG 67 1HH1 ARG 67 -14.984 9.481 -3.188 538 HH12 ARG 67 2HH1 ARG 67 -16.319 10.120 -4.099 539 HH21 ARG 67 1HH2 ARG 67 -16.574 13.074 -2.231 540 HH22 ARG 67 2HH2 ARG 67 -17.215 12.166 -3.567 541 H LYS 68 H LYS 68 -11.518 9.554 2.811 542 HA LYS 68 HA LYS 68 -11.445 11.960 4.436 543 HB2 LYS 68 2HB LYS 68 -13.820 11.662 5.152 544 HB3 LYS 68 1HB LYS 68 -13.617 12.212 3.500 545 HG2 LYS 68 2HG LYS 68 -14.063 9.938 2.694 546 HG3 LYS 68 1HG LYS 68 -14.286 9.405 4.363 547 HD2 LYS 68 2HD LYS 68 -16.172 10.880 4.636 548 HD3 LYS 68 1HD LYS 68 -15.902 11.584 3.043 549 HE2 LYS 68 2HE LYS 68 -17.710 10.060 2.827 550 HE3 LYS 68 1HE LYS 68 -16.308 9.303 2.074 551 HZ1 LYS 68 3HZ LYS 68 -17.435 8.693 4.755 552 HZ2 LYS 68 1HZ LYS 68 -15.988 8.044 4.163 553 HZ3 LYS 68 2HZ LYS 68 -17.449 7.690 3.389 554 H GLY 69 H GLY 69 -10.783 11.539 6.391 555 HA2 GLY 69 2HA GLY 69 -11.471 9.709 8.227 556 HA3 GLY 69 1HA GLY 69 -10.387 8.779 7.199 557 H HIS 70 H HIS 70 -8.545 10.719 6.525 558 HA HIS 70 HA HIS 70 -7.635 12.173 8.818 559 HB2 HIS 70 2HB HIS 70 -5.506 11.047 9.135 560 HB3 HIS 70 1HB HIS 70 -6.809 9.894 9.376 561 HD1 HIS 70 1HD HIS 70 -3.834 10.593 7.286 562 HD2 HIS 70 2HD HIS 70 -6.995 7.889 7.357 563 HE1 HIS 70 1HE HIS 70 -3.156 8.717 5.751 564 HE2 HIS 70 2HE HIS 70 -4.983 6.994 5.990 565 H SER 71 H SER 71 -8.460 12.904 6.336 566 HA SER 71 HA SER 71 -6.322 13.027 4.429 567 HB2 SER 71 2HB SER 71 -8.846 14.651 4.302 568 HB3 SER 71 1HB SER 71 -7.933 13.909 2.985 569 HG SER 71 HG SER 71 -9.696 12.628 3.296 570 H GLU 72 H GLU 72 -5.121 14.800 3.826 571 HA GLU 72 HA GLU 72 -5.023 17.026 5.687 572 HB2 GLU 72 2HB GLU 72 -3.081 15.718 4.246 573 HB3 GLU 72 1HB GLU 72 -3.342 17.159 3.276 574 HG2 GLU 72 2HG GLU 72 -2.527 17.022 6.162 575 HG3 GLU 72 1HG GLU 72 -1.562 17.583 4.799 576 H GLY 73 H GLY 73 -6.882 18.194 5.315 577 HA2 GLY 73 2HA GLY 73 -7.026 19.585 2.743 578 HA3 GLY 73 1HA GLY 73 -8.432 18.662 3.250 579 H GLY 74 H GLY 74 -6.429 21.432 3.902 580 HA2 GLY 74 2HA GLY 74 -8.428 23.171 4.556 581 HA3 GLY 74 1HA GLY 74 -8.015 22.407 6.086 Start of MODEL 19 1 H1 VAL 1 1HT VAL 1 11.359 -2.261 3.895 2 H2 VAL 1 2HT VAL 1 11.278 -2.693 5.532 3 H3 VAL 1 3HT VAL 1 12.685 -1.978 4.919 4 HA VAL 1 HA VAL 1 11.522 0.062 4.490 5 HB VAL 1 HB VAL 1 9.320 -0.860 4.019 6 HG11 VAL 1 2HG1 VAL 1 9.291 -2.645 5.687 7 HG12 VAL 1 3HG1 VAL 1 7.835 -1.652 5.771 8 HG13 VAL 1 1HG1 VAL 1 9.114 -1.445 6.968 9 HG21 VAL 1 1HG2 VAL 1 9.427 1.479 4.655 10 HG22 VAL 1 2HG2 VAL 1 9.259 1.043 6.356 11 HG23 VAL 1 3HG2 VAL 1 7.928 0.750 5.234 12 H ASP 2 H ASP 2 11.718 1.664 6.003 13 HA ASP 2 HA ASP 2 12.541 0.876 8.678 14 HB2 ASP 2 2HB ASP 2 12.320 3.657 7.492 15 HB3 ASP 2 1HB ASP 2 13.158 3.210 8.975 16 H MET 3 H MET 3 11.345 1.181 10.502 17 HA MET 3 HA MET 3 8.512 1.435 10.053 18 HB2 MET 3 2HB MET 3 10.141 0.887 12.531 19 HB3 MET 3 1HB MET 3 8.383 0.955 12.521 20 HG2 MET 3 2HG MET 3 10.063 -0.921 10.881 21 HG3 MET 3 1HG MET 3 9.227 -1.332 12.379 22 HE1 MET 3 3HE MET 3 8.477 -3.334 10.498 23 HE2 MET 3 1HE MET 3 9.057 -2.399 9.119 24 HE3 MET 3 2HE MET 3 7.390 -2.973 9.154 25 H SER 4 H SER 4 10.824 3.722 10.504 26 HA SER 4 HA SER 4 9.434 5.320 12.476 27 HB2 SER 4 2HB SER 4 11.906 6.020 10.881 28 HB3 SER 4 1HB SER 4 11.349 6.776 12.375 29 HG SER 4 HG SER 4 12.111 5.148 13.506 30 H ASN 5 H ASN 5 9.879 5.215 8.997 31 HA ASN 5 HA ASN 5 8.795 7.932 8.800 32 HB2 ASN 5 2HB ASN 5 9.803 7.906 6.490 33 HB3 ASN 5 1HB ASN 5 10.945 7.846 7.821 34 HD21 ASN 5 1HD2 ASN 5 9.073 5.101 6.647 35 HD22 ASN 5 2HD2 ASN 5 10.432 4.210 6.052 36 H VAL 6 H VAL 6 7.702 4.932 8.693 37 HA VAL 6 HA VAL 6 5.884 5.401 6.433 38 HB VAL 6 HB VAL 6 7.146 3.318 6.335 39 HG11 VAL 6 1HG1 VAL 6 5.746 2.572 8.894 40 HG12 VAL 6 2HG1 VAL 6 7.469 2.898 8.699 41 HG13 VAL 6 3HG1 VAL 6 6.743 1.499 7.909 42 HG21 VAL 6 3HG2 VAL 6 4.978 3.346 5.293 43 HG22 VAL 6 1HG2 VAL 6 4.199 2.935 6.822 44 HG23 VAL 6 2HG2 VAL 6 5.250 1.765 6.025 45 H VAL 7 H VAL 7 3.738 5.665 6.712 46 HA VAL 7 HA VAL 7 2.724 5.638 9.466 47 HB VAL 7 HB VAL 7 0.629 6.601 8.514 48 HG11 VAL 7 1HG1 VAL 7 3.167 8.138 8.012 49 HG12 VAL 7 2HG1 VAL 7 2.297 8.020 9.543 50 HG13 VAL 7 3HG1 VAL 7 1.559 8.844 8.170 51 HG21 VAL 7 3HG2 VAL 7 0.854 5.809 6.215 52 HG22 VAL 7 1HG2 VAL 7 2.238 6.885 5.985 53 HG23 VAL 7 2HG2 VAL 7 0.634 7.559 6.287 54 H LYS 8 H LYS 8 2.409 3.888 6.505 55 HA LYS 8 HA LYS 8 0.903 1.823 7.817 56 HB2 LYS 8 2HB LYS 8 -0.870 3.428 7.133 57 HB3 LYS 8 1HB LYS 8 -0.368 3.231 5.462 58 HG2 LYS 8 2HG LYS 8 -2.294 1.873 5.824 59 HG3 LYS 8 1HG LYS 8 -0.902 0.798 5.671 60 HD2 LYS 8 2HD LYS 8 -0.779 0.566 8.081 61 HD3 LYS 8 1HD LYS 8 -2.105 1.712 8.282 62 HE2 LYS 8 2HE LYS 8 -3.596 0.170 7.080 63 HE3 LYS 8 1HE LYS 8 -2.267 -0.981 6.925 64 HZ1 LYS 8 3HZ LYS 8 -3.392 -0.008 9.501 65 HZ2 LYS 8 1HZ LYS 8 -2.167 -1.169 9.314 66 HZ3 LYS 8 2HZ LYS 8 -3.743 -1.508 8.789 67 H THR 9 H THR 9 1.249 -0.089 6.950 68 HA THR 9 HA THR 9 2.518 -0.211 4.302 69 HB THR 9 HB THR 9 3.208 -1.612 6.838 70 HG1 THR 9 1HG THR 9 4.581 -0.023 6.270 71 HG21 THR 9 3HG2 THR 9 2.687 -3.482 5.358 72 HG22 THR 9 1HG2 THR 9 4.426 -3.363 5.622 73 HG23 THR 9 2HG2 THR 9 3.725 -2.790 4.110 74 H TYR 10 H TYR 10 1.763 -1.682 2.873 75 HA TYR 10 HA TYR 10 -0.695 -3.082 3.631 76 HB2 TYR 10 2HB TYR 10 0.149 -1.790 1.058 77 HB3 TYR 10 1HB TYR 10 -1.153 -2.986 1.116 78 HD1 TYR 10 2HD TYR 10 -2.603 -2.526 3.408 79 HD2 TYR 10 1HD TYR 10 -0.718 0.377 0.954 80 HE1 TYR 10 2HE TYR 10 -4.158 -0.858 4.233 81 HE2 TYR 10 1HE TYR 10 -2.283 2.093 1.775 82 HH TYR 10 HH TYR 10 -4.357 2.347 2.809 83 H ASP 11 H ASP 11 -0.804 -5.094 3.569 84 HA ASP 11 HA ASP 11 1.524 -6.557 2.557 85 HB2 ASP 11 2HB ASP 11 -0.658 -7.339 4.493 86 HB3 ASP 11 1HB ASP 11 0.583 -8.442 3.921 87 H LEU 12 H LEU 12 1.383 -7.468 0.693 88 HA LEU 12 HA LEU 12 -1.214 -7.874 -0.584 89 HB2 LEU 12 2HB LEU 12 1.538 -8.525 -1.663 90 HB3 LEU 12 1HB LEU 12 0.038 -8.557 -2.571 91 HG LEU 12 HG LEU 12 1.627 -6.197 -1.642 92 HD11 LEU 12 1HD1 LEU 12 0.242 -6.816 -4.244 93 HD12 LEU 12 2HD1 LEU 12 1.937 -7.151 -3.901 94 HD13 LEU 12 3HD1 LEU 12 1.355 -5.486 -3.928 95 HD21 LEU 12 3HD2 LEU 12 -0.264 -4.729 -2.180 96 HD22 LEU 12 1HD2 LEU 12 -0.600 -5.757 -0.788 97 HD23 LEU 12 2HD2 LEU 12 -1.302 -6.145 -2.358 98 H GLN 13 H GLN 13 -1.960 -9.933 -1.312 99 HA GLN 13 HA GLN 13 -1.786 -11.891 0.652 100 HB2 GLN 13 2HB GLN 13 -3.656 -11.480 -0.965 101 HB3 GLN 13 1HB GLN 13 -2.699 -12.296 -2.192 102 HG2 GLN 13 2HG GLN 13 -2.770 -14.348 -0.955 103 HG3 GLN 13 1HG GLN 13 -3.576 -13.548 0.396 104 HE21 GLN 13 1HE2 GLN 13 -5.269 -11.933 -1.302 105 HE22 GLN 13 2HE2 GLN 13 -6.468 -12.992 -1.966 106 H ASP 14 H ASP 14 0.322 -11.372 -2.011 107 HA ASP 14 HA ASP 14 1.270 -14.120 -2.086 108 HB2 ASP 14 2HB ASP 14 1.201 -13.012 -4.223 109 HB3 ASP 14 1HB ASP 14 2.092 -11.629 -3.597 110 H GLY 15 H GLY 15 1.986 -11.084 -0.663 111 HA2 GLY 15 2HA GLY 15 3.363 -11.347 1.400 112 HA3 GLY 15 1HA GLY 15 4.526 -12.149 0.371 113 H SER 16 H SER 16 3.649 -10.062 -1.752 114 HA SER 16 HA SER 16 5.764 -8.275 -1.425 115 HB2 SER 16 2HB SER 16 3.355 -7.309 -2.864 116 HB3 SER 16 1HB SER 16 5.041 -7.311 -3.371 117 HG SER 16 HG SER 16 4.841 -9.600 -3.668 118 H LYS 17 H LYS 17 5.871 -6.205 -0.572 119 HA LYS 17 HA LYS 17 3.642 -5.556 1.225 120 HB2 LYS 17 2HB LYS 17 5.488 -6.718 2.346 121 HB3 LYS 17 1HB LYS 17 6.617 -5.492 1.792 122 HG2 LYS 17 2HG LYS 17 5.401 -3.841 3.136 123 HG3 LYS 17 1HG LYS 17 4.315 -5.116 3.697 124 HD2 LYS 17 2HD LYS 17 7.305 -4.997 4.111 125 HD3 LYS 17 1HD LYS 17 6.070 -4.709 5.340 126 HE2 LYS 17 2HE LYS 17 6.377 -7.305 3.835 127 HE3 LYS 17 1HE LYS 17 7.110 -6.990 5.406 128 HZ1 LYS 17 3HZ LYS 17 4.909 -8.204 5.386 129 HZ2 LYS 17 1HZ LYS 17 4.185 -6.735 4.956 130 HZ3 LYS 17 2HZ LYS 17 5.018 -6.872 6.429 131 H VAL 18 H VAL 18 2.919 -3.555 0.999 132 HA VAL 18 HA VAL 18 4.591 -1.581 -0.430 133 HB VAL 18 HB VAL 18 1.575 -1.649 -0.111 134 HG11 VAL 18 1HG1 VAL 18 1.561 0.065 -1.866 135 HG12 VAL 18 2HG1 VAL 18 3.324 0.070 -1.875 136 HG13 VAL 18 3HG1 VAL 18 2.450 0.606 -0.441 137 HG21 VAL 18 3HG2 VAL 18 2.366 -3.520 -1.477 138 HG22 VAL 18 1HG2 VAL 18 3.243 -2.396 -2.516 139 HG23 VAL 18 2HG2 VAL 18 1.481 -2.345 -2.450 140 H HIS 19 H HIS 19 4.636 0.602 0.426 141 HA HIS 19 HA HIS 19 3.343 0.936 3.026 142 HB2 HIS 19 2HB HIS 19 6.018 2.113 2.962 143 HB3 HIS 19 1HB HIS 19 5.207 1.228 4.238 144 HD1 HIS 19 1HD HIS 19 5.172 -1.542 3.661 145 HD2 HIS 19 2HD HIS 19 8.154 0.848 2.103 146 HE1 HIS 19 1HE HIS 19 7.009 -3.120 2.980 147 HE2 HIS 19 2HE HIS 19 8.887 -1.626 2.212 148 H VAL 20 H VAL 20 2.550 2.877 3.393 149 HA VAL 20 HA VAL 20 3.243 4.985 1.479 150 HB VAL 20 HB VAL 20 0.855 4.575 1.539 151 HG11 VAL 20 1HG1 VAL 20 1.014 5.129 4.485 152 HG12 VAL 20 2HG1 VAL 20 0.630 3.588 3.720 153 HG13 VAL 20 3HG1 VAL 20 -0.473 4.954 3.556 154 HG21 VAL 20 3HG2 VAL 20 0.049 6.826 2.130 155 HG22 VAL 20 1HG2 VAL 20 1.534 6.863 1.179 156 HG23 VAL 20 2HG2 VAL 20 1.593 7.151 2.918 157 H PHE 21 H PHE 21 4.344 6.664 2.140 158 HA PHE 21 HA PHE 21 5.544 6.381 4.770 159 HB2 PHE 21 2HB PHE 21 6.318 7.710 2.198 160 HB3 PHE 21 1HB PHE 21 7.227 8.002 3.670 161 HD1 PHE 21 1HD PHE 21 6.290 5.460 1.140 162 HD2 PHE 21 2HD PHE 21 8.652 6.329 4.586 163 HE1 PHE 21 1HE PHE 21 7.609 3.428 0.756 164 HE2 PHE 21 2HE PHE 21 9.972 4.294 4.188 165 HZ PHE 21 HZ PHE 21 9.452 2.841 2.276 166 H LYS 22 H LYS 22 6.177 8.317 5.956 167 HA LYS 22 HA LYS 22 3.949 9.978 6.512 168 HB2 LYS 22 2HB LYS 22 6.827 9.930 7.398 169 HB3 LYS 22 1HB LYS 22 5.743 11.216 7.914 170 HG2 LYS 22 2HG LYS 22 4.336 9.674 9.049 171 HG3 LYS 22 1HG LYS 22 5.183 8.296 8.347 172 HD2 LYS 22 2HD LYS 22 5.825 8.694 10.687 173 HD3 LYS 22 1HD LYS 22 7.186 8.860 9.580 174 HE2 LYS 22 2HE LYS 22 7.274 10.625 11.208 175 HE3 LYS 22 1HE LYS 22 6.883 11.312 9.634 176 HZ1 LYS 22 3HZ LYS 22 4.569 11.440 10.280 177 HZ2 LYS 22 1HZ LYS 22 5.538 12.258 11.404 178 HZ3 LYS 22 2HZ LYS 22 4.919 10.731 11.784 179 H ASP 23 H ASP 23 6.567 10.229 4.332 180 HA ASP 23 HA ASP 23 6.534 13.077 4.042 181 HB2 ASP 23 2HB ASP 23 8.622 11.847 3.789 182 HB3 ASP 23 1HB ASP 23 7.913 10.845 2.533 183 H GLY 24 H GLY 24 4.617 10.579 3.153 184 HA2 GLY 24 2HA GLY 24 2.655 10.803 1.971 185 HA3 GLY 24 1HA GLY 24 3.332 12.201 1.165 186 H LYS 25 H LYS 25 5.663 9.954 1.029 187 HA LYS 25 HA LYS 25 4.977 9.168 -1.651 188 HB2 LYS 25 2HB LYS 25 7.261 8.412 -1.804 189 HB3 LYS 25 1HB LYS 25 7.147 10.066 -1.224 190 HG2 LYS 25 2HG LYS 25 7.266 9.044 1.097 191 HG3 LYS 25 1HG LYS 25 7.918 7.633 0.254 192 HD2 LYS 25 2HD LYS 25 9.666 8.903 -0.703 193 HD3 LYS 25 1HD LYS 25 8.925 10.413 -0.182 194 HE2 LYS 25 2HE LYS 25 9.272 9.599 2.193 195 HE3 LYS 25 1HE LYS 25 10.288 8.331 1.509 196 HZ1 LYS 25 3HZ LYS 25 11.757 9.973 0.610 197 HZ2 LYS 25 1HZ LYS 25 11.535 10.315 2.259 198 HZ3 LYS 25 2HZ LYS 25 10.731 11.235 1.087 199 H MET 26 H MET 26 5.892 6.786 -2.143 200 HA MET 26 HA MET 26 5.052 4.957 -0.034 201 HB2 MET 26 2HB MET 26 3.911 4.916 -2.832 202 HB3 MET 26 1HB MET 26 3.708 3.629 -1.656 203 HG2 MET 26 2HG MET 26 2.598 5.306 -0.155 204 HG3 MET 26 1HG MET 26 2.634 6.431 -1.513 205 HE1 MET 26 3HE MET 26 2.345 3.958 -3.751 206 HE2 MET 26 1HE MET 26 1.645 5.559 -4.000 207 HE3 MET 26 2HE MET 26 0.630 4.123 -4.137 208 H GLY 27 H GLY 27 5.838 2.823 -0.302 209 HA2 GLY 27 2HA GLY 27 7.801 2.427 -2.447 210 HA3 GLY 27 1HA GLY 27 8.312 2.234 -0.777 211 H MET 28 H MET 28 8.185 0.260 -2.994 212 HA MET 28 HA MET 28 6.299 -1.630 -1.750 213 HB2 MET 28 2HB MET 28 5.657 -0.943 -4.052 214 HB3 MET 28 1HB MET 28 7.180 -1.597 -4.640 215 HG2 MET 28 2HG MET 28 6.526 -3.820 -3.889 216 HG3 MET 28 1HG MET 28 5.008 -3.170 -3.275 217 HE1 MET 28 3HE MET 28 3.791 -5.229 -6.342 218 HE2 MET 28 1HE MET 28 3.642 -4.949 -4.607 219 HE3 MET 28 2HE MET 28 5.120 -5.653 -5.263 220 H GLU 29 H GLU 29 6.993 -3.598 -1.206 221 HA GLU 29 HA GLU 29 9.714 -4.432 -1.980 222 HB2 GLU 29 2HB GLU 29 8.396 -4.544 0.745 223 HB3 GLU 29 1HB GLU 29 9.722 -5.617 0.313 224 HG2 GLU 29 2HG GLU 29 11.204 -3.783 0.002 225 HG3 GLU 29 1HG GLU 29 9.888 -2.621 0.177 226 H ASN 30 H ASN 30 9.932 -6.766 -2.151 227 HA ASN 30 HA ASN 30 7.409 -8.115 -2.694 228 HB2 ASN 30 2HB ASN 30 8.719 -9.845 -3.727 229 HB3 ASN 30 1HB ASN 30 9.392 -8.301 -4.240 230 HD21 ASN 30 1HD2 ASN 30 10.739 -10.765 -4.319 231 HD22 ASN 30 2HD2 ASN 30 12.094 -10.666 -3.243 232 H LYS 31 H LYS 31 7.223 -10.444 -1.920 233 HA LYS 31 HA LYS 31 7.149 -10.735 0.794 234 HB2 LYS 31 2HB LYS 31 6.989 -13.171 0.352 235 HB3 LYS 31 1HB LYS 31 5.926 -12.173 -0.621 236 HG2 LYS 31 2HG LYS 31 7.617 -12.331 -2.466 237 HG3 LYS 31 1HG LYS 31 8.449 -13.548 -1.489 238 HD2 LYS 31 2HD LYS 31 6.587 -15.012 -1.563 239 HD3 LYS 31 1HD LYS 31 5.536 -13.754 -2.218 240 HE2 LYS 31 2HE LYS 31 6.972 -13.734 -4.259 241 HE3 LYS 31 1HE LYS 31 7.838 -15.123 -3.602 242 HZ1 LYS 31 3HZ LYS 31 5.826 -16.403 -3.643 243 HZ2 LYS 31 1HZ LYS 31 6.078 -15.739 -5.183 244 HZ3 LYS 31 2HZ LYS 31 4.911 -15.062 -4.148 245 H PHE 32 H PHE 32 10.023 -10.297 -0.622 246 HA PHE 32 HA PHE 32 11.421 -12.067 1.272 247 HB2 PHE 32 2HB PHE 32 12.349 -11.032 -1.412 248 HB3 PHE 32 1HB PHE 32 13.399 -11.854 -0.262 249 HD1 PHE 32 1HD PHE 32 13.108 -14.237 0.205 250 HD2 PHE 32 2HD PHE 32 10.733 -12.233 -2.701 251 HE1 PHE 32 1HE PHE 32 12.426 -16.408 -0.726 252 HE2 PHE 32 2HE PHE 32 10.046 -14.400 -3.636 253 HZ PHE 32 HZ PHE 32 10.893 -16.497 -2.642 254 H GLY 33 H GLY 33 10.417 -9.004 0.857 255 HA2 GLY 33 2HA GLY 33 10.923 -7.164 2.170 256 HA3 GLY 33 1HA GLY 33 12.338 -8.019 2.767 257 H LYS 34 H LYS 34 11.873 -7.889 -0.608 258 HA LYS 34 HA LYS 34 14.156 -6.048 -0.801 259 HB2 LYS 34 2HB LYS 34 13.057 -7.954 -2.866 260 HB3 LYS 34 1HB LYS 34 14.500 -6.965 -3.043 261 HG2 LYS 34 2HG LYS 34 14.259 -8.834 -0.764 262 HG3 LYS 34 1HG LYS 34 14.716 -9.456 -2.350 263 HD2 LYS 34 2HD LYS 34 16.606 -7.903 -2.393 264 HD3 LYS 34 1HD LYS 34 16.126 -7.268 -0.818 265 HE2 LYS 34 2HE LYS 34 16.506 -9.424 0.208 266 HE3 LYS 34 1HE LYS 34 16.875 -10.138 -1.358 267 HZ1 LYS 34 3HZ LYS 34 18.818 -8.745 -1.526 268 HZ2 LYS 34 1HZ LYS 34 18.870 -9.622 -0.075 269 HZ3 LYS 34 2HZ LYS 34 18.446 -7.980 -0.057 270 H SER 35 H SER 35 14.038 -4.218 -1.739 271 HA SER 35 HA SER 35 11.512 -3.022 -2.208 272 HB2 SER 35 2HB SER 35 13.387 -1.732 -1.322 273 HB3 SER 35 1HB SER 35 14.282 -1.972 -2.821 274 HG SER 35 HG SER 35 13.259 -0.334 -3.624 275 H MET 36 H MET 36 10.409 -2.654 -4.022 276 HA MET 36 HA MET 36 11.665 -3.123 -6.613 277 HB2 MET 36 2HB MET 36 9.739 -4.569 -7.311 278 HB3 MET 36 1HB MET 36 10.800 -5.307 -6.121 279 HG2 MET 36 2HG MET 36 9.219 -4.804 -4.358 280 HG3 MET 36 1HG MET 36 8.170 -3.979 -5.511 281 HE1 MET 36 3HE MET 36 6.881 -6.871 -7.750 282 HE2 MET 36 1HE MET 36 8.183 -5.715 -8.035 283 HE3 MET 36 2HE MET 36 6.674 -5.180 -7.295 284 H ASN 37 H ASN 37 10.332 -2.367 -8.400 285 HA ASN 37 HA ASN 37 9.022 0.101 -7.758 286 HB2 ASN 37 2HB ASN 37 8.812 0.401 -10.164 287 HB3 ASN 37 1HB ASN 37 10.431 -0.171 -9.780 288 HD21 ASN 37 1HD2 ASN 37 11.013 -2.298 -10.310 289 HD22 ASN 37 2HD2 ASN 37 10.118 -3.209 -11.486 290 H MET 38 H MET 38 6.864 0.663 -8.188 291 HA MET 38 HA MET 38 5.045 -1.644 -8.002 292 HB2 MET 38 2HB MET 38 5.171 -0.215 -5.976 293 HB3 MET 38 1HB MET 38 4.646 1.159 -6.939 294 HG2 MET 38 2HG MET 38 2.519 0.125 -7.348 295 HG3 MET 38 1HG MET 38 3.041 -1.350 -6.539 296 HE1 MET 38 3HE MET 38 0.881 -1.319 -5.018 297 HE2 MET 38 1HE MET 38 0.331 0.148 -5.831 298 HE3 MET 38 2HE MET 38 0.367 0.074 -4.069 299 HA PRO 39 HA PRO 39 3.381 -0.171 -11.848 300 HB2 PRO 39 2HB PRO 39 1.418 -1.983 -12.120 301 HB3 PRO 39 1HB PRO 39 3.122 -2.417 -12.298 302 HG2 PRO 39 2HG PRO 39 1.305 -2.799 -9.953 303 HG3 PRO 39 1HG PRO 39 2.492 -3.920 -10.642 304 HD2 PRO 39 2HD PRO 39 2.956 -2.376 -8.430 305 HD3 PRO 39 1HD PRO 39 4.234 -2.952 -9.518 306 H GLU 40 H GLU 40 1.441 0.760 -12.715 307 HA GLU 40 HA GLU 40 -0.481 1.630 -10.647 308 HB2 GLU 40 2HB GLU 40 0.948 3.480 -11.420 309 HB3 GLU 40 1HB GLU 40 0.464 3.161 -13.081 310 HG2 GLU 40 2HG GLU 40 -1.889 3.632 -12.402 311 HG3 GLU 40 1HG GLU 40 -1.273 4.143 -10.833 312 H GLY 41 H GLY 41 -2.671 1.654 -11.180 313 HA2 GLY 41 2HA GLY 41 -4.511 1.560 -12.633 314 HA3 GLY 41 1HA GLY 41 -3.441 1.043 -13.923 315 H LYS 42 H LYS 42 -2.745 -0.755 -11.230 316 HA LYS 42 HA LYS 42 -4.478 -2.945 -12.161 317 HB2 LYS 42 2HB LYS 42 -1.787 -3.012 -10.799 318 HB3 LYS 42 1HB LYS 42 -2.763 -4.435 -11.132 319 HG2 LYS 42 2HG LYS 42 -2.590 -4.027 -13.517 320 HG3 LYS 42 1HG LYS 42 -1.682 -2.546 -13.214 321 HD2 LYS 42 2HD LYS 42 -0.186 -4.371 -13.829 322 HD3 LYS 42 1HD LYS 42 0.104 -3.853 -12.171 323 HE2 LYS 42 2HE LYS 42 0.145 -6.280 -12.341 324 HE3 LYS 42 1HE LYS 42 -1.205 -5.742 -11.343 325 HZ1 LYS 42 3HZ LYS 42 -1.474 -6.416 -14.221 326 HZ2 LYS 42 1HZ LYS 42 -2.720 -6.168 -13.096 327 HZ3 LYS 42 2HZ LYS 42 -1.728 -7.540 -12.978 328 H VAL 43 H VAL 43 -5.799 -3.948 -10.734 329 HA VAL 43 HA VAL 43 -5.849 -2.990 -7.992 330 HB VAL 43 HB VAL 43 -7.628 -5.035 -9.337 331 HG11 VAL 43 1HG1 VAL 43 -9.113 -4.697 -7.405 332 HG12 VAL 43 2HG1 VAL 43 -7.897 -3.654 -6.665 333 HG13 VAL 43 3HG1 VAL 43 -7.551 -5.364 -6.929 334 HG21 VAL 43 3HG2 VAL 43 -8.128 -2.127 -8.709 335 HG22 VAL 43 1HG2 VAL 43 -9.302 -3.254 -9.389 336 HG23 VAL 43 2HG2 VAL 43 -7.869 -2.809 -10.314 337 H MET 44 H MET 44 -4.746 -3.913 -6.442 338 HA MET 44 HA MET 44 -3.794 -6.678 -6.787 339 HB2 MET 44 2HB MET 44 -2.673 -4.331 -5.272 340 HB3 MET 44 1HB MET 44 -2.219 -5.975 -4.849 341 HG2 MET 44 2HG MET 44 -0.532 -5.198 -6.260 342 HG3 MET 44 1HG MET 44 -1.521 -6.263 -7.252 343 HE1 MET 44 3HE MET 44 -0.596 -2.544 -6.412 344 HE2 MET 44 1HE MET 44 -2.338 -2.578 -6.132 345 HE3 MET 44 2HE MET 44 -1.680 -1.658 -7.484 346 H GLU 45 H GLU 45 -4.017 -8.141 -5.062 347 HA GLU 45 HA GLU 45 -5.938 -7.255 -3.039 348 HB2 GLU 45 2HB GLU 45 -5.534 -9.893 -4.373 349 HB3 GLU 45 1HB GLU 45 -6.255 -9.833 -2.767 350 HG2 GLU 45 2HG GLU 45 -7.991 -8.359 -3.561 351 HG3 GLU 45 1HG GLU 45 -7.259 -8.319 -5.166 352 H THR 46 H THR 46 -5.789 -7.916 -0.982 353 HA THR 46 HA THR 46 -3.010 -8.064 -0.030 354 HB THR 46 HB THR 46 -3.816 -7.184 2.077 355 HG1 THR 46 1HG THR 46 -6.292 -6.556 1.771 356 HG21 THR 46 3HG2 THR 46 -4.654 -5.010 1.377 357 HG22 THR 46 1HG2 THR 46 -5.107 -5.670 -0.197 358 HG23 THR 46 2HG2 THR 46 -3.406 -5.562 0.259 359 H ARG 47 H ARG 47 -2.626 -9.381 2.003 360 HA ARG 47 HA ARG 47 -3.629 -11.977 1.979 361 HB2 ARG 47 2HB ARG 47 -2.963 -11.928 4.445 362 HB3 ARG 47 1HB ARG 47 -1.702 -11.676 3.247 363 HG2 ARG 47 2HG ARG 47 -1.549 -9.405 3.763 364 HG3 ARG 47 1HG ARG 47 -3.110 -9.401 4.594 365 HD2 ARG 47 2HD ARG 47 -2.196 -10.853 6.323 366 HD3 ARG 47 1HD ARG 47 -0.645 -10.878 5.491 367 HE ARG 47 HE ARG 47 -0.460 -8.488 5.987 368 HH11 ARG 47 1HH1 ARG 47 -2.814 -10.327 7.808 369 HH12 ARG 47 2HH1 ARG 47 -2.762 -9.273 9.189 370 HH21 ARG 47 1HH2 ARG 47 -0.380 -7.093 7.772 371 HH22 ARG 47 2HH2 ARG 47 -1.373 -7.415 9.168 372 H ASP 48 H ASP 48 -5.004 -9.109 3.015 373 HA ASP 48 HA ASP 48 -6.691 -10.216 5.072 374 HB2 ASP 48 2HB ASP 48 -5.624 -8.086 5.379 375 HB3 ASP 48 1HB ASP 48 -6.346 -7.457 3.900 376 H GLY 49 H GLY 49 -6.821 -9.767 1.715 377 HA2 GLY 49 2HA GLY 49 -8.524 -10.617 0.341 378 HA3 GLY 49 1HA GLY 49 -9.618 -10.592 1.718 379 H THR 50 H THR 50 -7.780 -7.767 1.238 380 HA THR 50 HA THR 50 -10.157 -6.400 0.219 381 HB THR 50 HB THR 50 -8.491 -4.372 0.881 382 HG1 THR 50 1HG THR 50 -8.045 -6.001 3.097 383 HG21 THR 50 3HG2 THR 50 -10.294 -5.869 2.783 384 HG22 THR 50 1HG2 THR 50 -10.800 -4.636 1.630 385 HG23 THR 50 2HG2 THR 50 -9.749 -4.203 2.977 386 H LYS 51 H LYS 51 -9.860 -4.766 -1.413 387 HA LYS 51 HA LYS 51 -7.778 -5.596 -3.330 388 HB2 LYS 51 2HB LYS 51 -10.532 -4.484 -3.922 389 HB3 LYS 51 1HB LYS 51 -9.368 -5.076 -5.104 390 HG2 LYS 51 2HG LYS 51 -9.601 -7.312 -4.340 391 HG3 LYS 51 1HG LYS 51 -10.528 -6.798 -2.929 392 HD2 LYS 51 2HD LYS 51 -12.278 -5.941 -4.513 393 HD3 LYS 51 1HD LYS 51 -11.378 -6.717 -5.820 394 HE2 LYS 51 2HE LYS 51 -12.415 -8.164 -3.385 395 HE3 LYS 51 1HE LYS 51 -13.288 -8.063 -4.913 396 HZ1 LYS 51 3HZ LYS 51 -12.028 -10.133 -4.671 397 HZ2 LYS 51 1HZ LYS 51 -10.582 -9.255 -4.586 398 HZ3 LYS 51 2HZ LYS 51 -11.512 -9.229 -6.006 399 H ILE 52 H ILE 52 -6.462 -4.062 -4.131 400 HA ILE 52 HA ILE 52 -6.980 -1.253 -3.358 401 HB ILE 52 HB ILE 52 -4.878 -1.022 -2.382 402 HG12 ILE 52 2HG1 ILE 52 -3.951 -3.539 -3.805 403 HG13 ILE 52 1HG1 ILE 52 -3.564 -1.892 -4.291 404 HG21 ILE 52 1HG2 ILE 52 -4.656 -2.700 -0.751 405 HG22 ILE 52 2HG2 ILE 52 -5.239 -3.952 -1.842 406 HG23 ILE 52 3HG2 ILE 52 -6.358 -2.746 -1.218 407 HD11 ILE 52 3HD1 ILE 52 -2.730 -3.212 -1.712 408 HD12 ILE 52 1HD1 ILE 52 -2.343 -1.563 -2.199 409 HD13 ILE 52 2HD1 ILE 52 -1.703 -2.925 -3.117 410 H ILE 53 H ILE 53 -5.593 0.278 -4.645 411 HA ILE 53 HA ILE 53 -4.008 -0.689 -6.819 412 HB ILE 53 HB ILE 53 -5.870 -1.082 -8.124 413 HG12 ILE 53 2HG1 ILE 53 -4.223 0.786 -9.044 414 HG13 ILE 53 1HG1 ILE 53 -5.634 0.268 -9.954 415 HG21 ILE 53 1HG2 ILE 53 -7.136 1.408 -6.996 416 HG22 ILE 53 2HG2 ILE 53 -7.589 -0.269 -6.682 417 HG23 ILE 53 3HG2 ILE 53 -7.835 0.426 -8.286 418 HD11 ILE 53 3HD1 ILE 53 -6.866 2.218 -9.141 419 HD12 ILE 53 1HD1 ILE 53 -5.397 2.680 -10.000 420 HD13 ILE 53 2HD1 ILE 53 -5.443 2.736 -8.238 421 H MET 54 H MET 54 -2.719 0.863 -7.767 422 HA MET 54 HA MET 54 -2.550 3.367 -6.222 423 HB2 MET 54 2HB MET 54 -0.566 1.953 -6.114 424 HB3 MET 54 1HB MET 54 -0.495 1.866 -7.869 425 HG2 MET 54 2HG MET 54 -0.119 4.326 -7.905 426 HG3 MET 54 1HG MET 54 -0.021 4.284 -6.145 427 HE1 MET 54 3HE MET 54 2.314 5.488 -7.964 428 HE2 MET 54 1HE MET 54 3.722 4.805 -7.151 429 HE3 MET 54 2HE MET 54 2.364 5.415 -6.202 430 H LYS 55 H LYS 55 -2.791 5.289 -7.196 431 HA LYS 55 HA LYS 55 -2.453 5.495 -10.081 432 HB2 LYS 55 2HB LYS 55 -4.928 5.046 -9.460 433 HB3 LYS 55 1HB LYS 55 -4.919 6.688 -8.829 434 HG2 LYS 55 2HG LYS 55 -5.777 6.811 -11.026 435 HG3 LYS 55 1HG LYS 55 -4.129 7.444 -11.094 436 HD2 LYS 55 2HD LYS 55 -3.371 5.184 -11.836 437 HD3 LYS 55 1HD LYS 55 -5.063 4.697 -11.927 438 HE2 LYS 55 2HE LYS 55 -4.408 5.307 -14.122 439 HE3 LYS 55 1HE LYS 55 -5.418 6.614 -13.513 440 HZ1 LYS 55 3HZ LYS 55 -2.448 6.600 -13.691 441 HZ2 LYS 55 1HZ LYS 55 -3.359 7.836 -12.963 442 HZ3 LYS 55 2HZ LYS 55 -3.523 7.527 -14.620 443 H GLY 56 H GLY 56 -1.167 7.194 -10.436 444 HA2 GLY 56 2HA GLY 56 -0.160 9.239 -10.216 445 HA3 GLY 56 1HA GLY 56 -1.668 9.784 -9.508 446 H ASN 57 H ASN 57 0.890 7.537 -8.429 447 HA ASN 57 HA ASN 57 2.259 7.532 -6.615 448 HB2 ASN 57 2HB ASN 57 2.890 9.791 -7.172 449 HB3 ASN 57 1HB ASN 57 1.438 10.434 -6.419 450 HD21 ASN 57 1HD2 ASN 57 1.374 10.724 -4.242 451 HD22 ASN 57 2HD2 ASN 57 2.750 10.525 -3.213 452 H GLU 58 H GLU 58 -1.020 8.184 -6.377 453 HA GLU 58 HA GLU 58 -1.077 7.787 -3.470 454 HB2 GLU 58 2HB GLU 58 -3.270 8.507 -5.414 455 HB3 GLU 58 1HB GLU 58 -3.552 8.167 -3.713 456 HG2 GLU 58 2HG GLU 58 -1.952 10.016 -3.172 457 HG3 GLU 58 1HG GLU 58 -1.944 10.417 -4.887 458 H ILE 59 H ILE 59 -2.215 6.082 -2.516 459 HA ILE 59 HA ILE 59 -2.730 3.851 -4.357 460 HB ILE 59 HB ILE 59 -0.792 3.851 -2.455 461 HG12 ILE 59 2HG1 ILE 59 -1.174 2.191 -4.260 462 HG13 ILE 59 1HG1 ILE 59 -0.672 1.462 -2.740 463 HG21 ILE 59 1HG2 ILE 59 -1.519 2.379 -0.606 464 HG22 ILE 59 2HG2 ILE 59 -3.190 2.609 -1.124 465 HG23 ILE 59 3HG2 ILE 59 -2.246 3.985 -0.552 466 HD11 ILE 59 3HD1 ILE 59 -3.486 1.568 -3.793 467 HD12 ILE 59 1HD1 ILE 59 -2.965 0.804 -2.291 468 HD13 ILE 59 2HD1 ILE 59 -2.411 0.171 -3.842 469 H PHE 60 H PHE 60 -4.751 3.251 -4.469 470 HA PHE 60 HA PHE 60 -6.640 3.989 -2.406 471 HB2 PHE 60 2HB PHE 60 -7.827 4.113 -4.347 472 HB3 PHE 60 1HB PHE 60 -6.811 2.932 -5.163 473 HD1 PHE 60 2HD PHE 60 -9.710 3.443 -3.057 474 HD2 PHE 60 1HD PHE 60 -7.371 0.533 -5.073 475 HE1 PHE 60 2HE PHE 60 -11.512 1.819 -2.758 476 HE2 PHE 60 1HE PHE 60 -9.190 -1.115 -4.788 477 HZ PHE 60 HZ PHE 60 -11.071 -0.667 -3.656 478 H ARG 61 H ARG 61 -7.162 2.808 -0.843 479 HA ARG 61 HA ARG 61 -7.464 -0.019 -0.992 480 HB2 ARG 61 2HB ARG 61 -5.016 0.274 -0.275 481 HB3 ARG 61 1HB ARG 61 -5.620 1.072 1.169 482 HG2 ARG 61 2HG ARG 61 -6.347 -1.741 0.401 483 HG3 ARG 61 1HG ARG 61 -4.993 -1.341 1.446 484 HD2 ARG 61 2HD ARG 61 -7.889 -0.682 1.972 485 HD3 ARG 61 1HD ARG 61 -6.990 -2.010 2.703 486 HE ARG 61 HE ARG 61 -5.784 0.568 3.122 487 HH11 ARG 61 1HH1 ARG 61 -8.144 -1.718 4.315 488 HH12 ARG 61 2HH1 ARG 61 -8.101 -1.120 5.945 489 HH21 ARG 61 1HH2 ARG 61 -5.701 1.353 5.252 490 HH22 ARG 61 2HH2 ARG 61 -6.707 0.633 6.480 491 H LEU 62 H LEU 62 -9.709 0.338 -0.412 492 HA LEU 62 HA LEU 62 -11.374 0.718 1.041 493 HB2 LEU 62 2HB LEU 62 -9.093 1.053 2.828 494 HB3 LEU 62 1HB LEU 62 -10.450 2.080 3.251 495 HG LEU 62 HG LEU 62 -10.504 -0.027 4.469 496 HD11 LEU 62 1HD1 LEU 62 -12.606 1.066 3.965 497 HD12 LEU 62 2HD1 LEU 62 -12.810 -0.684 3.873 498 HD13 LEU 62 3HD1 LEU 62 -12.678 0.270 2.393 499 HD21 LEU 62 3HD2 LEU 62 -10.899 -2.137 3.281 500 HD22 LEU 62 1HD2 LEU 62 -9.357 -1.421 2.806 501 HD23 LEU 62 2HD2 LEU 62 -10.752 -1.298 1.734 502 H ASP 63 H ASP 63 -8.935 3.274 1.154 503 HA ASP 63 HA ASP 63 -8.974 5.449 0.573 504 HB2 ASP 63 2HB ASP 63 -10.175 4.889 -1.445 505 HB3 ASP 63 1HB ASP 63 -11.692 4.819 -0.555 506 H GLU 64 H GLU 64 -12.066 4.428 1.864 507 HA GLU 64 HA GLU 64 -12.557 6.810 3.325 508 HB2 GLU 64 2HB GLU 64 -14.343 5.254 2.679 509 HB3 GLU 64 1HB GLU 64 -13.653 4.016 3.720 510 HG2 GLU 64 2HG GLU 64 -14.146 5.310 5.676 511 HG3 GLU 64 1HG GLU 64 -14.683 6.668 4.688 512 H ALA 65 H ALA 65 -10.668 3.974 3.934 513 HA ALA 65 HA ALA 65 -10.478 3.973 6.715 514 HB1 ALA 65 1HB ALA 65 -9.546 2.195 5.275 515 HB2 ALA 65 2HB ALA 65 -8.354 2.813 6.429 516 HB3 ALA 65 3HB ALA 65 -8.284 3.317 4.742 517 H LEU 66 H LEU 66 -8.123 5.376 4.468 518 HA LEU 66 HA LEU 66 -7.081 7.043 6.596 519 HB2 LEU 66 2HB LEU 66 -5.158 7.405 5.229 520 HB3 LEU 66 1HB LEU 66 -5.508 5.697 5.293 521 HG LEU 66 HG LEU 66 -4.776 6.161 3.101 522 HD11 LEU 66 1HD1 LEU 66 -7.769 6.100 2.845 523 HD12 LEU 66 2HD1 LEU 66 -6.758 4.692 3.182 524 HD13 LEU 66 3HD1 LEU 66 -6.580 5.564 1.660 525 HD21 LEU 66 3HD2 LEU 66 -5.926 7.893 1.687 526 HD22 LEU 66 1HD2 LEU 66 -4.898 8.492 2.992 527 HD23 LEU 66 2HD2 LEU 66 -6.649 8.481 3.191 528 H ARG 67 H ARG 67 -9.166 7.254 3.984 529 HA ARG 67 HA ARG 67 -10.178 8.920 2.841 530 HB2 ARG 67 2HB ARG 67 -11.106 8.873 5.216 531 HB3 ARG 67 1HB ARG 67 -10.198 10.351 5.478 532 HG2 ARG 67 2HG ARG 67 -11.426 11.477 3.783 533 HG3 ARG 67 1HG ARG 67 -12.225 9.984 3.293 534 HD2 ARG 67 2HD ARG 67 -13.181 9.857 5.602 535 HD3 ARG 67 1HD ARG 67 -12.539 11.475 5.886 536 HE ARG 67 HE ARG 67 -14.174 11.311 3.531 537 HH11 ARG 67 1HH1 ARG 67 -14.220 11.716 7.019 538 HH12 ARG 67 2HH1 ARG 67 -15.777 12.489 7.025 539 HH21 ARG 67 1HH2 ARG 67 -16.204 12.340 3.545 540 HH22 ARG 67 2HH2 ARG 67 -16.910 12.835 5.058 541 H LYS 68 H LYS 68 -8.409 9.504 1.543 542 HA LYS 68 HA LYS 68 -6.829 10.855 0.648 543 HB2 LYS 68 2HB LYS 68 -7.569 13.136 0.256 544 HB3 LYS 68 1HB LYS 68 -8.858 11.980 -0.021 545 HG2 LYS 68 2HG LYS 68 -9.773 12.554 2.214 546 HG3 LYS 68 1HG LYS 68 -8.534 13.803 2.352 547 HD2 LYS 68 2HD LYS 68 -9.408 14.810 0.248 548 HD3 LYS 68 1HD LYS 68 -10.718 13.630 0.282 549 HE2 LYS 68 2HE LYS 68 -10.130 15.761 2.328 550 HE3 LYS 68 1HE LYS 68 -11.499 15.703 1.217 551 HZ1 LYS 68 3HZ LYS 68 -10.967 13.940 3.546 552 HZ2 LYS 68 1HZ LYS 68 -12.127 13.566 2.361 553 HZ3 LYS 68 2HZ LYS 68 -12.285 14.975 3.293 554 H GLY 69 H GLY 69 -5.896 10.171 3.030 555 HA2 GLY 69 2HA GLY 69 -4.889 12.454 4.469 556 HA3 GLY 69 1HA GLY 69 -4.374 10.782 4.668 557 H HIS 70 H HIS 70 -4.309 13.293 2.181 558 HA HIS 70 HA HIS 70 -1.868 12.178 1.081 559 HB2 HIS 70 2HB HIS 70 -3.800 12.905 -0.351 560 HB3 HIS 70 1HB HIS 70 -3.473 14.563 0.140 561 HD1 HIS 70 1HD HIS 70 -1.931 15.823 -1.322 562 HD2 HIS 70 2HD HIS 70 -1.500 11.714 -1.773 563 HE1 HIS 70 1HE HIS 70 -0.318 15.518 -3.224 564 HE2 HIS 70 2HE HIS 70 -0.256 13.025 -3.622 565 H SER 71 H SER 71 0.023 12.806 1.773 566 HA SER 71 HA SER 71 1.773 14.051 2.488 567 HB2 SER 71 2HB SER 71 -0.019 16.470 2.168 568 HB3 SER 71 1HB SER 71 1.735 16.481 2.364 569 HG SER 71 HG SER 71 0.415 16.379 0.119 570 H GLU 72 H GLU 72 2.493 15.322 4.385 571 HA GLU 72 HA GLU 72 0.587 15.024 6.620 572 HB2 GLU 72 2HB GLU 72 2.334 13.280 6.643 573 HB3 GLU 72 1HB GLU 72 3.572 14.527 6.645 574 HG2 GLU 72 2HG GLU 72 2.609 15.339 8.811 575 HG3 GLU 72 1HG GLU 72 1.600 13.892 8.819 576 H GLY 73 H GLY 73 0.571 16.655 8.159 577 HA2 GLY 73 2HA GLY 73 1.911 18.447 9.225 578 HA3 GLY 73 1HA GLY 73 2.364 18.931 7.600 579 H GLY 74 H GLY 74 1.572 20.994 7.773 580 HA2 GLY 74 2HA GLY 74 -0.927 21.609 6.903 581 HA3 GLY 74 1HA GLY 74 -1.116 21.511 8.651 Start of MODEL 20 1 H1 VAL 1 1HT VAL 1 14.302 -0.047 4.148 2 H2 VAL 1 2HT VAL 1 14.667 1.396 3.341 3 H3 VAL 1 3HT VAL 1 14.367 -0.019 2.456 4 HA VAL 1 HA VAL 1 12.502 1.542 2.424 5 HB VAL 1 HB VAL 1 12.134 -0.890 2.139 6 HG11 VAL 1 2HG1 VAL 1 11.223 -2.211 4.001 7 HG12 VAL 1 3HG1 VAL 1 11.592 -0.881 5.098 8 HG13 VAL 1 1HG1 VAL 1 12.897 -1.722 4.262 9 HG21 VAL 1 1HG2 VAL 1 10.254 0.634 1.909 10 HG22 VAL 1 2HG2 VAL 1 9.931 0.521 3.640 11 HG23 VAL 1 3HG2 VAL 1 9.728 -0.897 2.609 12 H ASP 2 H ASP 2 13.518 0.465 5.604 13 HA ASP 2 HA ASP 2 13.359 1.376 7.656 14 HB2 ASP 2 2HB ASP 2 12.796 3.848 6.030 15 HB3 ASP 2 1HB ASP 2 13.011 3.866 7.779 16 H MET 3 H MET 3 11.754 0.481 8.775 17 HA MET 3 HA MET 3 9.008 0.867 8.110 18 HB2 MET 3 2HB MET 3 10.307 -0.333 10.557 19 HB3 MET 3 1HB MET 3 8.575 -0.365 10.239 20 HG2 MET 3 2HG MET 3 10.726 -1.603 8.537 21 HG3 MET 3 1HG MET 3 9.594 -2.457 9.588 22 HE1 MET 3 3HE MET 3 8.788 -2.995 5.632 23 HE2 MET 3 1HE MET 3 9.542 -3.763 7.031 24 HE3 MET 3 2HE MET 3 10.336 -2.405 6.233 25 H SER 4 H SER 4 11.071 3.010 9.399 26 HA SER 4 HA SER 4 9.336 4.080 11.465 27 HB2 SER 4 2HB SER 4 11.980 5.106 10.408 28 HB3 SER 4 1HB SER 4 11.139 5.692 11.845 29 HG SER 4 HG SER 4 12.380 4.235 12.764 30 H ASN 5 H ASN 5 10.315 4.811 8.155 31 HA ASN 5 HA ASN 5 8.916 7.372 8.269 32 HB2 ASN 5 2HB ASN 5 9.975 7.966 6.271 33 HB3 ASN 5 1HB ASN 5 11.184 7.015 7.094 34 HD21 ASN 5 1HD2 ASN 5 9.732 4.476 6.385 35 HD22 ASN 5 2HD2 ASN 5 10.143 4.222 4.728 36 H VAL 6 H VAL 6 7.877 4.543 8.224 37 HA VAL 6 HA VAL 6 6.117 4.693 5.900 38 HB VAL 6 HB VAL 6 7.039 2.322 7.534 39 HG11 VAL 6 1HG1 VAL 6 4.705 2.026 7.026 40 HG12 VAL 6 2HG1 VAL 6 5.662 0.980 5.977 41 HG13 VAL 6 3HG1 VAL 6 4.982 2.480 5.348 42 HG21 VAL 6 3HG2 VAL 6 7.386 3.034 4.624 43 HG22 VAL 6 1HG2 VAL 6 7.916 1.531 5.378 44 HG23 VAL 6 2HG2 VAL 6 8.638 3.065 5.866 45 H VAL 7 H VAL 7 4.281 5.586 6.463 46 HA VAL 7 HA VAL 7 3.468 5.479 9.230 47 HB VAL 7 HB VAL 7 3.440 7.595 7.974 48 HG11 VAL 7 1HG1 VAL 7 2.765 6.957 5.803 49 HG12 VAL 7 2HG1 VAL 7 1.518 8.029 6.446 50 HG13 VAL 7 3HG1 VAL 7 1.243 6.285 6.399 51 HG21 VAL 7 3HG2 VAL 7 0.756 6.718 8.991 52 HG22 VAL 7 1HG2 VAL 7 1.344 8.378 8.869 53 HG23 VAL 7 2HG2 VAL 7 2.124 7.244 9.976 54 H LYS 8 H LYS 8 2.808 3.763 6.390 55 HA LYS 8 HA LYS 8 1.205 1.935 7.889 56 HB2 LYS 8 2HB LYS 8 -0.541 3.562 7.181 57 HB3 LYS 8 1HB LYS 8 -0.115 3.256 5.503 58 HG2 LYS 8 2HG LYS 8 -2.114 2.016 6.217 59 HG3 LYS 8 1HG LYS 8 -0.802 0.946 5.715 60 HD2 LYS 8 2HD LYS 8 -0.167 0.677 8.091 61 HD3 LYS 8 1HD LYS 8 -1.569 1.647 8.545 62 HE2 LYS 8 2HE LYS 8 -3.073 0.014 7.717 63 HE3 LYS 8 1HE LYS 8 -1.771 -0.878 6.924 64 HZ1 LYS 8 3HZ LYS 8 -2.503 -1.904 9.025 65 HZ2 LYS 8 1HZ LYS 8 -2.008 -0.510 9.862 66 HZ3 LYS 8 2HZ LYS 8 -0.867 -1.462 9.046 67 H THR 9 H THR 9 1.311 -0.058 7.118 68 HA THR 9 HA THR 9 2.659 -0.438 4.530 69 HB THR 9 HB THR 9 2.914 -2.033 7.059 70 HG1 THR 9 1HG THR 9 4.650 -0.924 7.363 71 HG21 THR 9 3HG2 THR 9 2.893 -3.568 5.177 72 HG22 THR 9 1HG2 THR 9 4.521 -3.445 5.845 73 HG23 THR 9 2HG2 THR 9 4.111 -2.594 4.355 74 H TYR 10 H TYR 10 1.786 -1.863 3.157 75 HA TYR 10 HA TYR 10 -0.683 -3.190 3.983 76 HB2 TYR 10 2HB TYR 10 0.187 -2.062 1.342 77 HB3 TYR 10 1HB TYR 10 -1.117 -3.250 1.454 78 HD1 TYR 10 2HD TYR 10 -2.578 -2.651 3.726 79 HD2 TYR 10 1HD TYR 10 -0.702 0.092 1.079 80 HE1 TYR 10 2HE TYR 10 -4.138 -0.935 4.438 81 HE2 TYR 10 1HE TYR 10 -2.271 1.852 1.789 82 HH TYR 10 HH TYR 10 -4.409 2.111 2.819 83 H ASP 11 H ASP 11 -0.761 -5.155 4.121 84 HA ASP 11 HA ASP 11 1.500 -6.792 3.259 85 HB2 ASP 11 2HB ASP 11 -0.094 -8.544 4.565 86 HB3 ASP 11 1HB ASP 11 1.085 -7.512 5.372 87 H LEU 12 H LEU 12 1.414 -7.702 1.372 88 HA LEU 12 HA LEU 12 -1.141 -8.152 0.048 89 HB2 LEU 12 2HB LEU 12 1.667 -8.657 -0.964 90 HB3 LEU 12 1HB LEU 12 0.189 -8.760 -1.915 91 HG LEU 12 HG LEU 12 1.416 -6.267 -0.737 92 HD11 LEU 12 1HD1 LEU 12 1.309 -5.560 -3.157 93 HD12 LEU 12 2HD1 LEU 12 0.977 -7.252 -3.540 94 HD13 LEU 12 3HD1 LEU 12 2.489 -6.800 -2.756 95 HD21 LEU 12 3HD2 LEU 12 -1.000 -6.177 -0.452 96 HD22 LEU 12 1HD2 LEU 12 -1.223 -6.554 -2.161 97 HD23 LEU 12 2HD2 LEU 12 -0.459 -5.037 -1.684 98 H GLN 13 H GLN 13 -1.855 -10.226 -0.607 99 HA GLN 13 HA GLN 13 -1.367 -12.105 1.469 100 HB2 GLN 13 2HB GLN 13 -3.535 -11.545 0.127 101 HB3 GLN 13 1HB GLN 13 -2.945 -12.794 -0.965 102 HG2 GLN 13 2HG GLN 13 -2.952 -14.417 0.783 103 HG3 GLN 13 1HG GLN 13 -3.315 -13.174 1.985 104 HE21 GLN 13 1HE2 GLN 13 -4.579 -15.054 -0.677 105 HE22 GLN 13 2HE2 GLN 13 -6.250 -14.752 -0.344 106 H ASP 14 H ASP 14 0.409 -11.554 -1.213 107 HA ASP 14 HA ASP 14 1.122 -14.364 -1.656 108 HB2 ASP 14 2HB ASP 14 2.237 -13.657 -3.630 109 HB3 ASP 14 1HB ASP 14 0.745 -12.721 -3.589 110 H GLY 15 H GLY 15 2.018 -11.602 0.042 111 HA2 GLY 15 2HA GLY 15 3.730 -12.078 1.812 112 HA3 GLY 15 1HA GLY 15 4.740 -12.638 0.505 113 H SER 16 H SER 16 3.530 -10.390 -1.150 114 HA SER 16 HA SER 16 5.756 -8.670 -0.777 115 HB2 SER 16 2HB SER 16 3.309 -8.292 -2.503 116 HB3 SER 16 1HB SER 16 4.829 -7.422 -2.660 117 HG SER 16 HG SER 16 4.202 -10.085 -3.310 118 H LYS 17 H LYS 17 5.644 -6.365 -0.391 119 HA LYS 17 HA LYS 17 3.391 -5.603 1.350 120 HB2 LYS 17 2HB LYS 17 6.230 -4.649 1.658 121 HB3 LYS 17 1HB LYS 17 4.905 -4.488 2.803 122 HG2 LYS 17 2HG LYS 17 4.947 -6.823 3.292 123 HG3 LYS 17 1HG LYS 17 6.130 -7.118 2.001 124 HD2 LYS 17 2HD LYS 17 7.600 -5.417 3.264 125 HD3 LYS 17 1HD LYS 17 6.513 -5.712 4.621 126 HE2 LYS 17 2HE LYS 17 7.081 -8.012 4.689 127 HE3 LYS 17 1HE LYS 17 7.924 -7.917 3.143 128 HZ1 LYS 17 3HZ LYS 17 8.753 -6.574 5.657 129 HZ2 LYS 17 1HZ LYS 17 9.564 -6.462 4.168 130 HZ3 LYS 17 2HZ LYS 17 9.479 -7.951 4.982 131 H VAL 18 H VAL 18 2.704 -3.493 1.263 132 HA VAL 18 HA VAL 18 4.037 -1.677 -0.646 133 HB VAL 18 HB VAL 18 1.060 -2.090 -0.226 134 HG11 VAL 18 1HG1 VAL 18 0.739 -0.260 -1.860 135 HG12 VAL 18 2HG1 VAL 18 2.472 0.064 -1.812 136 HG13 VAL 18 3HG1 VAL 18 1.490 0.298 -0.363 137 HG21 VAL 18 3HG2 VAL 18 2.095 -3.673 -1.762 138 HG22 VAL 18 1HG2 VAL 18 2.789 -2.344 -2.688 139 HG23 VAL 18 2HG2 VAL 18 1.041 -2.560 -2.631 140 H HIS 19 H HIS 19 4.638 0.193 0.329 141 HA HIS 19 HA HIS 19 3.404 0.676 2.968 142 HB2 HIS 19 2HB HIS 19 6.088 1.742 2.098 143 HB3 HIS 19 1HB HIS 19 5.392 1.782 3.709 144 HD1 HIS 19 1HD HIS 19 5.480 -0.466 5.088 145 HD2 HIS 19 2HD HIS 19 7.319 -0.518 1.391 146 HE1 HIS 19 1HE HIS 19 6.901 -2.540 5.082 147 HE2 HIS 19 2HE HIS 19 8.184 -2.441 2.915 148 H VAL 20 H VAL 20 2.313 2.446 3.245 149 HA VAL 20 HA VAL 20 2.523 4.592 1.282 150 HB VAL 20 HB VAL 20 0.721 4.331 3.707 151 HG11 VAL 20 1HG1 VAL 20 -0.525 6.211 2.702 152 HG12 VAL 20 2HG1 VAL 20 0.711 6.343 1.451 153 HG13 VAL 20 3HG1 VAL 20 1.123 6.665 3.134 154 HG21 VAL 20 3HG2 VAL 20 0.264 2.668 1.942 155 HG22 VAL 20 1HG2 VAL 20 0.074 3.982 0.781 156 HG23 VAL 20 2HG2 VAL 20 -1.054 3.828 2.129 157 H PHE 21 H PHE 21 4.276 5.738 1.604 158 HA PHE 21 HA PHE 21 5.631 5.736 4.124 159 HB2 PHE 21 2HB PHE 21 6.178 6.989 1.442 160 HB3 PHE 21 1HB PHE 21 7.194 7.324 2.836 161 HD1 PHE 21 1HD PHE 21 6.066 4.730 0.486 162 HD2 PHE 21 2HD PHE 21 8.805 5.659 3.636 163 HE1 PHE 21 1HE PHE 21 7.331 2.677 0.019 164 HE2 PHE 21 2HE PHE 21 10.052 3.615 3.149 165 HZ PHE 21 HZ PHE 21 9.437 2.183 1.385 166 H LYS 22 H LYS 22 6.293 7.616 5.250 167 HA LYS 22 HA LYS 22 4.247 9.183 6.223 168 HB2 LYS 22 2HB LYS 22 6.049 10.497 7.271 169 HB3 LYS 22 1HB LYS 22 6.410 8.768 7.332 170 HG2 LYS 22 2HG LYS 22 7.841 8.971 5.401 171 HG3 LYS 22 1HG LYS 22 7.467 10.686 5.278 172 HD2 LYS 22 2HD LYS 22 8.391 10.774 7.719 173 HD3 LYS 22 1HD LYS 22 9.167 9.251 7.270 174 HE2 LYS 22 2HE LYS 22 9.490 11.945 5.963 175 HE3 LYS 22 1HE LYS 22 10.716 11.004 6.808 176 HZ1 LYS 22 3HZ LYS 22 9.396 10.120 4.294 177 HZ2 LYS 22 1HZ LYS 22 10.725 9.402 5.060 178 HZ3 LYS 22 2HZ LYS 22 10.885 10.927 4.347 179 H ASP 23 H ASP 23 6.314 9.773 3.480 180 HA ASP 23 HA ASP 23 5.614 12.591 3.372 181 HB2 ASP 23 2HB ASP 23 7.430 12.619 1.591 182 HB3 ASP 23 1HB ASP 23 7.962 12.245 3.226 183 H GLY 24 H GLY 24 4.214 9.929 2.490 184 HA2 GLY 24 2HA GLY 24 2.315 9.901 1.210 185 HA3 GLY 24 1HA GLY 24 2.888 11.323 0.375 186 H LYS 25 H LYS 25 5.418 9.152 0.282 187 HA LYS 25 HA LYS 25 4.649 8.251 -2.353 188 HB2 LYS 25 2HB LYS 25 7.164 7.925 -0.746 189 HB3 LYS 25 1HB LYS 25 6.906 7.085 -2.268 190 HG2 LYS 25 2HG LYS 25 6.432 9.421 -3.224 191 HG3 LYS 25 1HG LYS 25 7.218 9.995 -1.759 192 HD2 LYS 25 2HD LYS 25 8.394 8.153 -3.825 193 HD3 LYS 25 1HD LYS 25 8.842 9.835 -3.544 194 HE2 LYS 25 2HE LYS 25 9.145 7.614 -1.524 195 HE3 LYS 25 1HE LYS 25 10.437 8.195 -2.570 196 HZ1 LYS 25 3HZ LYS 25 8.971 9.889 -0.621 197 HZ2 LYS 25 1HZ LYS 25 10.327 10.336 -1.541 198 HZ3 LYS 25 2HZ LYS 25 10.469 9.164 -0.319 199 H MET 26 H MET 26 5.384 5.926 -2.800 200 HA MET 26 HA MET 26 4.531 4.084 -0.738 201 HB2 MET 26 2HB MET 26 3.176 4.470 -3.381 202 HB3 MET 26 1HB MET 26 3.235 2.866 -2.657 203 HG2 MET 26 2HG MET 26 1.222 3.693 -1.909 204 HG3 MET 26 1HG MET 26 2.308 4.019 -0.566 205 HE1 MET 26 3HE MET 26 0.199 5.579 -3.493 206 HE2 MET 26 1HE MET 26 1.866 5.860 -3.993 207 HE3 MET 26 2HE MET 26 0.841 7.222 -3.535 208 H GLY 27 H GLY 27 5.413 2.101 -0.877 209 HA2 GLY 27 2HA GLY 27 7.255 1.585 -3.110 210 HA3 GLY 27 1HA GLY 27 7.847 1.514 -1.456 211 H MET 28 H MET 28 7.675 -0.582 -3.515 212 HA MET 28 HA MET 28 5.782 -2.411 -2.197 213 HB2 MET 28 2HB MET 28 5.159 -1.973 -4.510 214 HB3 MET 28 1HB MET 28 6.774 -2.409 -5.052 215 HG2 MET 28 2HG MET 28 6.397 -4.700 -4.192 216 HG3 MET 28 1HG MET 28 4.744 -4.240 -3.789 217 HE1 MET 28 3HE MET 28 5.768 -6.700 -5.741 218 HE2 MET 28 1HE MET 28 4.457 -6.636 -6.921 219 HE3 MET 28 2HE MET 28 4.106 -6.447 -5.202 220 H GLU 29 H GLU 29 6.567 -4.131 -1.249 221 HA GLU 29 HA GLU 29 9.348 -4.948 -1.819 222 HB2 GLU 29 2HB GLU 29 7.678 -5.102 0.680 223 HB3 GLU 29 1HB GLU 29 8.997 -6.230 0.428 224 HG2 GLU 29 2HG GLU 29 10.566 -4.374 0.285 225 HG3 GLU 29 1HG GLU 29 9.240 -3.234 0.515 226 H ASN 30 H ASN 30 9.683 -7.125 -2.304 227 HA ASN 30 HA ASN 30 7.287 -8.717 -2.805 228 HB2 ASN 30 2HB ASN 30 9.173 -8.621 -4.475 229 HB3 ASN 30 1HB ASN 30 10.183 -9.456 -3.302 230 HD21 ASN 30 1HD2 ASN 30 10.532 -11.152 -4.572 231 HD22 ASN 30 2HD2 ASN 30 9.318 -12.327 -4.965 232 H LYS 31 H LYS 31 7.247 -10.963 -1.936 233 HA LYS 31 HA LYS 31 7.358 -11.081 0.776 234 HB2 LYS 31 2HB LYS 31 7.231 -13.523 0.584 235 HB3 LYS 31 1HB LYS 31 6.139 -12.683 -0.504 236 HG2 LYS 31 2HG LYS 31 7.644 -13.092 -2.359 237 HG3 LYS 31 1HG LYS 31 8.765 -13.918 -1.271 238 HD2 LYS 31 2HD LYS 31 5.906 -14.748 -1.723 239 HD3 LYS 31 1HD LYS 31 7.287 -15.454 -2.572 240 HE2 LYS 31 2HE LYS 31 8.231 -16.054 -0.326 241 HE3 LYS 31 1HE LYS 31 6.707 -15.528 0.386 242 HZ1 LYS 31 3HZ LYS 31 5.643 -17.177 -1.212 243 HZ2 LYS 31 1HZ LYS 31 6.484 -17.820 0.117 244 HZ3 LYS 31 2HZ LYS 31 7.202 -17.815 -1.418 245 H PHE 32 H PHE 32 10.143 -11.374 -1.298 246 HA PHE 32 HA PHE 32 11.717 -12.616 0.839 247 HB2 PHE 32 2HB PHE 32 12.707 -11.815 -1.897 248 HB3 PHE 32 1HB PHE 32 13.451 -12.943 -0.768 249 HD1 PHE 32 1HD PHE 32 12.521 -15.201 -0.482 250 HD2 PHE 32 2HD PHE 32 10.931 -12.442 -3.290 251 HE1 PHE 32 1HE PHE 32 11.336 -17.041 -1.616 252 HE2 PHE 32 2HE PHE 32 9.745 -14.244 -4.425 253 HZ PHE 32 HZ PHE 32 9.943 -16.565 -3.596 254 H GLY 33 H GLY 33 10.817 -9.558 -0.125 255 HA2 GLY 33 2HA GLY 33 11.515 -7.649 1.097 256 HA3 GLY 33 1HA GLY 33 13.081 -8.404 1.345 257 H LYS 34 H LYS 34 11.384 -8.145 -1.709 258 HA LYS 34 HA LYS 34 13.400 -7.319 -3.300 259 HB2 LYS 34 2HB LYS 34 10.506 -7.005 -3.453 260 HB3 LYS 34 1HB LYS 34 11.402 -5.832 -4.404 261 HG2 LYS 34 2HG LYS 34 11.680 -8.821 -4.590 262 HG3 LYS 34 1HG LYS 34 10.796 -7.791 -5.716 263 HD2 LYS 34 2HD LYS 34 12.907 -6.600 -6.217 264 HD3 LYS 34 1HD LYS 34 13.761 -7.736 -5.169 265 HE2 LYS 34 2HE LYS 34 12.991 -9.591 -6.589 266 HE3 LYS 34 1HE LYS 34 12.199 -8.429 -7.653 267 HZ1 LYS 34 3HZ LYS 34 14.387 -7.422 -8.061 268 HZ2 LYS 34 1HZ LYS 34 14.312 -9.043 -8.556 269 HZ3 LYS 34 2HZ LYS 34 15.111 -8.633 -7.119 270 H SER 35 H SER 35 11.090 -4.799 -2.529 271 HA SER 35 HA SER 35 11.322 -2.849 -1.386 272 HB2 SER 35 2HB SER 35 13.323 -3.591 -0.191 273 HB3 SER 35 1HB SER 35 14.306 -3.263 -1.616 274 HG SER 35 HG SER 35 13.892 -1.090 -1.391 275 H MET 36 H MET 36 10.308 -2.596 -3.456 276 HA MET 36 HA MET 36 11.927 -1.070 -5.399 277 HB2 MET 36 2HB MET 36 9.411 -2.620 -6.042 278 HB3 MET 36 1HB MET 36 10.601 -1.977 -7.163 279 HG2 MET 36 2HG MET 36 12.219 -3.626 -6.443 280 HG3 MET 36 1HG MET 36 11.092 -4.235 -5.230 281 HE1 MET 36 3HE MET 36 8.237 -5.715 -7.508 282 HE2 MET 36 1HE MET 36 8.338 -4.088 -6.835 283 HE3 MET 36 2HE MET 36 8.788 -5.479 -5.850 284 H ASN 37 H ASN 37 9.987 0.060 -6.900 285 HA ASN 37 HA ASN 37 8.492 1.683 -4.975 286 HB2 ASN 37 2HB ASN 37 9.264 2.123 -7.855 287 HB3 ASN 37 1HB ASN 37 8.066 3.132 -7.051 288 HD21 ASN 37 1HD2 ASN 37 11.421 2.205 -7.176 289 HD22 ASN 37 2HD2 ASN 37 12.017 3.518 -6.209 290 H MET 38 H MET 38 6.265 2.269 -5.465 291 HA MET 38 HA MET 38 4.744 -0.078 -6.164 292 HB2 MET 38 2HB MET 38 4.063 1.224 -4.246 293 HB3 MET 38 1HB MET 38 3.930 2.675 -5.226 294 HG2 MET 38 2HG MET 38 1.740 1.869 -4.793 295 HG3 MET 38 1HG MET 38 2.098 1.584 -6.494 296 HE1 MET 38 3HE MET 38 -0.203 -1.440 -5.644 297 HE2 MET 38 1HE MET 38 0.071 -0.059 -6.706 298 HE3 MET 38 2HE MET 38 -0.346 0.201 -5.012 299 HA PRO 39 HA PRO 39 4.091 1.250 -10.365 300 HB2 PRO 39 2HB PRO 39 2.613 -0.863 -11.147 301 HB3 PRO 39 1HB PRO 39 4.362 -0.969 -10.912 302 HG2 PRO 39 2HG PRO 39 2.146 -1.835 -9.099 303 HG3 PRO 39 1HG PRO 39 3.670 -2.656 -9.476 304 HD2 PRO 39 2HD PRO 39 3.249 -1.196 -7.198 305 HD3 PRO 39 1HD PRO 39 4.847 -1.437 -7.935 306 H GLU 40 H GLU 40 2.371 2.008 -11.643 307 HA GLU 40 HA GLU 40 0.036 2.788 -10.071 308 HB2 GLU 40 2HB GLU 40 1.199 4.598 -11.135 309 HB3 GLU 40 1HB GLU 40 1.171 3.777 -12.689 310 HG2 GLU 40 2HG GLU 40 -1.274 3.990 -12.734 311 HG3 GLU 40 1HG GLU 40 -1.207 4.859 -11.204 312 H GLY 41 H GLY 41 -2.060 2.327 -10.617 313 HA2 GLY 41 2HA GLY 41 -3.813 1.759 -12.062 314 HA3 GLY 41 1HA GLY 41 -2.640 1.183 -13.233 315 H LYS 42 H LYS 42 -1.452 -0.357 -10.769 316 HA LYS 42 HA LYS 42 -3.010 -2.742 -11.333 317 HB2 LYS 42 2HB LYS 42 -0.479 -2.376 -9.739 318 HB3 LYS 42 1HB LYS 42 -1.207 -3.919 -10.153 319 HG2 LYS 42 2HG LYS 42 -0.846 -3.428 -12.537 320 HG3 LYS 42 1HG LYS 42 -0.062 -1.911 -12.083 321 HD2 LYS 42 2HD LYS 42 1.578 -3.684 -12.536 322 HD3 LYS 42 1HD LYS 42 1.647 -3.140 -10.860 323 HE2 LYS 42 2HE LYS 42 0.263 -5.067 -10.199 324 HE3 LYS 42 1HE LYS 42 0.268 -5.622 -11.872 325 HZ1 LYS 42 3HZ LYS 42 2.654 -5.330 -10.125 326 HZ2 LYS 42 1HZ LYS 42 2.682 -5.831 -11.746 327 HZ3 LYS 42 2HZ LYS 42 1.915 -6.786 -10.575 328 H VAL 43 H VAL 43 -4.670 -3.276 -10.052 329 HA VAL 43 HA VAL 43 -4.576 -2.537 -7.241 330 HB VAL 43 HB VAL 43 -6.709 -2.215 -8.440 331 HG11 VAL 43 1HG1 VAL 43 -8.096 -4.139 -9.051 332 HG12 VAL 43 2HG1 VAL 43 -6.753 -5.218 -8.671 333 HG13 VAL 43 3HG1 VAL 43 -6.608 -4.065 -9.996 334 HG21 VAL 43 3HG2 VAL 43 -6.822 -4.260 -6.220 335 HG22 VAL 43 1HG2 VAL 43 -8.176 -3.267 -6.763 336 HG23 VAL 43 2HG2 VAL 43 -6.764 -2.506 -6.033 337 H MET 44 H MET 44 -3.992 -3.863 -5.689 338 HA MET 44 HA MET 44 -3.654 -6.720 -6.330 339 HB2 MET 44 2HB MET 44 -1.766 -4.953 -4.753 340 HB3 MET 44 1HB MET 44 -1.624 -6.700 -4.882 341 HG2 MET 44 2HG MET 44 -1.308 -6.504 -7.293 342 HG3 MET 44 1HG MET 44 -1.468 -4.754 -7.174 343 HE1 MET 44 3HE MET 44 0.284 -3.195 -5.941 344 HE2 MET 44 1HE MET 44 1.710 -3.797 -5.097 345 HE3 MET 44 2HE MET 44 0.099 -4.154 -4.473 346 H GLU 45 H GLU 45 -3.772 -8.133 -4.457 347 HA GLU 45 HA GLU 45 -5.658 -6.993 -2.542 348 HB2 GLU 45 2HB GLU 45 -5.313 -9.734 -3.664 349 HB3 GLU 45 1HB GLU 45 -6.083 -9.533 -2.092 350 HG2 GLU 45 2HG GLU 45 -7.746 -8.094 -3.029 351 HG3 GLU 45 1HG GLU 45 -6.946 -8.119 -4.601 352 H THR 46 H THR 46 -5.637 -7.518 -0.432 353 HA THR 46 HA THR 46 -2.928 -7.853 0.660 354 HB THR 46 HB THR 46 -3.849 -6.737 2.684 355 HG1 THR 46 1HG THR 46 -6.119 -6.234 1.026 356 HG21 THR 46 3HG2 THR 46 -2.691 -5.418 0.956 357 HG22 THR 46 1HG2 THR 46 -3.976 -4.486 1.724 358 HG23 THR 46 2HG2 THR 46 -4.227 -5.176 0.122 359 H ARG 47 H ARG 47 -2.743 -9.009 2.739 360 HA ARG 47 HA ARG 47 -3.967 -11.523 2.789 361 HB2 ARG 47 2HB ARG 47 -2.770 -9.980 5.082 362 HB3 ARG 47 1HB ARG 47 -3.087 -11.694 5.086 363 HG2 ARG 47 2HG ARG 47 -1.458 -11.999 3.283 364 HG3 ARG 47 1HG ARG 47 -1.114 -10.266 3.332 365 HD2 ARG 47 2HD ARG 47 -0.707 -12.246 5.575 366 HD3 ARG 47 1HD ARG 47 0.555 -11.470 4.618 367 HE ARG 47 HE ARG 47 -0.857 -9.401 5.692 368 HH11 ARG 47 1HH1 ARG 47 0.799 -12.165 7.038 369 HH12 ARG 47 2HH1 ARG 47 1.263 -11.333 8.490 370 HH21 ARG 47 1HH2 ARG 47 -0.289 -8.308 7.604 371 HH22 ARG 47 2HH2 ARG 47 0.607 -9.154 8.841 372 H ASP 48 H ASP 48 -5.152 -8.488 3.779 373 HA ASP 48 HA ASP 48 -6.879 -9.439 5.867 374 HB2 ASP 48 2HB ASP 48 -6.034 -7.207 6.084 375 HB3 ASP 48 1HB ASP 48 -6.599 -6.771 4.476 376 H GLY 49 H GLY 49 -7.049 -9.061 2.444 377 HA2 GLY 49 2HA GLY 49 -8.807 -10.026 1.149 378 HA3 GLY 49 1HA GLY 49 -9.896 -9.794 2.511 379 H THR 50 H THR 50 -7.762 -7.247 1.714 380 HA THR 50 HA THR 50 -9.974 -5.749 0.488 381 HB THR 50 HB THR 50 -7.703 -4.693 2.207 382 HG1 THR 50 1HG THR 50 -9.071 -5.480 3.681 383 HG21 THR 50 3HG2 THR 50 -8.933 -2.570 2.175 384 HG22 THR 50 1HG2 THR 50 -10.108 -3.269 1.060 385 HG23 THR 50 2HG2 THR 50 -8.436 -3.044 0.551 386 H LYS 51 H LYS 51 -9.156 -3.968 -0.980 387 HA LYS 51 HA LYS 51 -6.956 -5.057 -2.620 388 HB2 LYS 51 2HB LYS 51 -9.466 -3.638 -3.549 389 HB3 LYS 51 1HB LYS 51 -8.184 -4.243 -4.588 390 HG2 LYS 51 2HG LYS 51 -8.698 -6.511 -4.018 391 HG3 LYS 51 1HG LYS 51 -9.849 -5.986 -2.787 392 HD2 LYS 51 2HD LYS 51 -11.239 -4.967 -4.535 393 HD3 LYS 51 1HD LYS 51 -10.091 -5.510 -5.759 394 HE2 LYS 51 2HE LYS 51 -11.673 -7.302 -3.918 395 HE3 LYS 51 1HE LYS 51 -12.055 -6.978 -5.607 396 HZ1 LYS 51 3HZ LYS 51 -9.671 -7.838 -6.011 397 HZ2 LYS 51 1HZ LYS 51 -10.912 -8.957 -5.713 398 HZ3 LYS 51 2HZ LYS 51 -9.831 -8.547 -4.476 399 H ILE 52 H ILE 52 -5.499 -3.584 -3.516 400 HA ILE 52 HA ILE 52 -5.920 -0.730 -2.951 401 HB ILE 52 HB ILE 52 -3.518 -0.507 -2.348 402 HG12 ILE 52 2HG1 ILE 52 -3.582 -3.529 -2.146 403 HG13 ILE 52 1HG1 ILE 52 -2.766 -2.625 -3.418 404 HG21 ILE 52 1HG2 ILE 52 -5.110 -2.326 -0.544 405 HG22 ILE 52 2HG2 ILE 52 -5.236 -0.569 -0.622 406 HG23 ILE 52 3HG2 ILE 52 -3.744 -1.321 -0.060 407 HD11 ILE 52 3HD1 ILE 52 -1.323 -1.590 -1.713 408 HD12 ILE 52 1HD1 ILE 52 -1.170 -3.343 -1.771 409 HD13 ILE 52 2HD1 ILE 52 -2.104 -2.585 -0.482 410 H ILE 53 H ILE 53 -4.819 0.714 -4.336 411 HA ILE 53 HA ILE 53 -3.102 -0.217 -6.415 412 HB ILE 53 HB ILE 53 -4.987 -0.896 -7.640 413 HG12 ILE 53 2HG1 ILE 53 -3.374 0.911 -8.742 414 HG13 ILE 53 1HG1 ILE 53 -4.735 0.214 -9.608 415 HG21 ILE 53 1HG2 ILE 53 -6.992 0.447 -8.001 416 HG22 ILE 53 2HG2 ILE 53 -6.343 1.688 -6.930 417 HG23 ILE 53 3HG2 ILE 53 -6.725 0.088 -6.295 418 HD11 ILE 53 3HD1 ILE 53 -6.080 2.189 -9.077 419 HD12 ILE 53 1HD1 ILE 53 -4.608 2.610 -9.955 420 HD13 ILE 53 2HD1 ILE 53 -4.707 2.884 -8.214 421 H MET 54 H MET 54 -2.127 1.547 -7.601 422 HA MET 54 HA MET 54 -2.371 4.097 -6.128 423 HB2 MET 54 2HB MET 54 -0.228 3.061 -5.660 424 HB3 MET 54 1HB MET 54 0.068 2.806 -7.374 425 HG2 MET 54 2HG MET 54 0.143 5.238 -7.705 426 HG3 MET 54 1HG MET 54 -0.104 5.466 -5.975 427 HE1 MET 54 3HE MET 54 2.305 6.708 -7.719 428 HE2 MET 54 1HE MET 54 3.657 6.485 -6.609 429 HE3 MET 54 2HE MET 54 2.096 7.031 -5.997 430 H LYS 55 H LYS 55 -2.747 5.896 -7.283 431 HA LYS 55 HA LYS 55 -2.227 5.858 -10.159 432 HB2 LYS 55 2HB LYS 55 -4.616 5.166 -9.756 433 HB3 LYS 55 1HB LYS 55 -4.887 6.745 -9.026 434 HG2 LYS 55 2HG LYS 55 -5.667 6.841 -11.269 435 HG3 LYS 55 1HG LYS 55 -4.174 7.776 -11.188 436 HD2 LYS 55 2HD LYS 55 -2.966 5.726 -12.002 437 HD3 LYS 55 1HD LYS 55 -4.543 4.995 -12.292 438 HE2 LYS 55 2HE LYS 55 -3.721 5.934 -14.348 439 HE3 LYS 55 1HE LYS 55 -5.093 6.891 -13.791 440 HZ1 LYS 55 3HZ LYS 55 -2.238 7.612 -13.377 441 HZ2 LYS 55 1HZ LYS 55 -3.583 8.554 -12.947 442 HZ3 LYS 55 2HZ LYS 55 -3.238 8.265 -14.582 443 H GLY 56 H GLY 56 -1.270 7.677 -10.798 444 HA2 GLY 56 2HA GLY 56 -0.768 9.902 -10.978 445 HA3 GLY 56 1HA GLY 56 -2.117 10.242 -9.918 446 H ASN 57 H ASN 57 -0.653 8.421 -7.821 447 HA ASN 57 HA ASN 57 1.380 9.350 -6.536 448 HB2 ASN 57 2HB ASN 57 0.826 11.705 -7.305 449 HB3 ASN 57 1HB ASN 57 -0.583 11.647 -6.251 450 HD21 ASN 57 1HD2 ASN 57 -0.307 11.829 -4.037 451 HD22 ASN 57 2HD2 ASN 57 1.205 12.260 -3.316 452 H GLU 58 H GLU 58 -2.000 8.949 -6.534 453 HA GLU 58 HA GLU 58 -2.215 8.888 -3.614 454 HB2 GLU 58 2HB GLU 58 -4.328 8.813 -5.766 455 HB3 GLU 58 1HB GLU 58 -4.640 8.896 -4.037 456 HG2 GLU 58 2HG GLU 58 -3.669 11.075 -3.891 457 HG3 GLU 58 1HG GLU 58 -3.097 10.985 -5.555 458 H ILE 59 H ILE 59 -2.858 7.110 -2.465 459 HA ILE 59 HA ILE 59 -2.966 4.585 -3.950 460 HB ILE 59 HB ILE 59 -1.729 5.350 -1.484 461 HG12 ILE 59 2HG1 ILE 59 -0.732 4.030 -3.316 462 HG13 ILE 59 1HG1 ILE 59 -0.560 3.251 -1.749 463 HG21 ILE 59 1HG2 ILE 59 -3.648 3.040 -1.192 464 HG22 ILE 59 2HG2 ILE 59 -3.707 4.571 -0.319 465 HG23 ILE 59 3HG2 ILE 59 -2.366 3.457 -0.057 466 HD11 ILE 59 3HD1 ILE 59 -2.568 2.542 -3.869 467 HD12 ILE 59 1HD1 ILE 59 -2.416 1.763 -2.296 468 HD13 ILE 59 2HD1 ILE 59 -1.105 1.641 -3.469 469 H PHE 60 H PHE 60 -4.793 3.673 -4.310 470 HA PHE 60 HA PHE 60 -7.206 4.184 -2.761 471 HB2 PHE 60 2HB PHE 60 -7.853 3.915 -4.930 472 HB3 PHE 60 1HB PHE 60 -6.456 2.946 -5.350 473 HD1 PHE 60 1HD PHE 60 -6.635 0.491 -4.030 474 HD2 PHE 60 2HD PHE 60 -9.865 2.915 -5.365 475 HE1 PHE 60 1HE PHE 60 -8.114 -1.478 -4.055 476 HE2 PHE 60 2HE PHE 60 -11.333 0.967 -5.399 477 HZ PHE 60 HZ PHE 60 -10.372 -1.296 -5.017 478 H ARG 61 H ARG 61 -7.668 3.103 -1.013 479 HA ARG 61 HA ARG 61 -7.105 0.226 -1.056 480 HB2 ARG 61 2HB ARG 61 -5.877 1.373 0.835 481 HB3 ARG 61 1HB ARG 61 -7.442 1.865 1.473 482 HG2 ARG 61 2HG ARG 61 -8.053 -0.601 1.479 483 HG3 ARG 61 1HG ARG 61 -6.342 -0.915 1.202 484 HD2 ARG 61 2HD ARG 61 -5.850 0.399 3.269 485 HD3 ARG 61 1HD ARG 61 -7.587 0.482 3.562 486 HE ARG 61 HE ARG 61 -5.916 -1.933 3.669 487 HH11 ARG 61 1HH1 ARG 61 -8.969 -0.338 4.273 488 HH12 ARG 61 2HH1 ARG 61 -9.615 -1.649 5.202 489 HH21 ARG 61 1HH2 ARG 61 -6.738 -3.640 4.917 490 HH22 ARG 61 2HH2 ARG 61 -8.353 -3.533 5.562 491 H LEU 62 H LEU 62 -8.830 -0.922 -1.051 492 HA LEU 62 HA LEU 62 -11.017 -1.555 -1.341 493 HB2 LEU 62 2HB LEU 62 -12.493 -1.150 0.421 494 HB3 LEU 62 1HB LEU 62 -10.897 -1.061 1.141 495 HG LEU 62 HG LEU 62 -11.731 1.601 0.377 496 HD11 LEU 62 1HD1 LEU 62 -14.006 0.703 0.606 497 HD12 LEU 62 2HD1 LEU 62 -13.609 1.847 1.886 498 HD13 LEU 62 3HD1 LEU 62 -13.607 0.116 2.221 499 HD21 LEU 62 3HD2 LEU 62 -10.004 0.982 1.981 500 HD22 LEU 62 1HD2 LEU 62 -11.224 0.254 3.029 501 HD23 LEU 62 2HD2 LEU 62 -11.248 1.992 2.726 502 H ASP 63 H ASP 63 -10.190 1.624 -1.944 503 HA ASP 63 HA ASP 63 -12.143 2.366 -3.786 504 HB2 ASP 63 2HB ASP 63 -13.388 2.231 -1.420 505 HB3 ASP 63 1HB ASP 63 -12.595 3.787 -1.195 506 H GLU 64 H GLU 64 -12.162 5.052 -3.563 507 HA GLU 64 HA GLU 64 -9.377 5.796 -3.068 508 HB2 GLU 64 2HB GLU 64 -9.985 7.951 -4.081 509 HB3 GLU 64 1HB GLU 64 -10.268 6.588 -5.143 510 HG2 GLU 64 2HG GLU 64 -12.670 6.710 -4.590 511 HG3 GLU 64 1HG GLU 64 -12.337 8.156 -3.632 512 H ALA 65 H ALA 65 -11.644 5.114 -1.274 513 HA ALA 65 HA ALA 65 -12.503 7.118 0.375 514 HB1 ALA 65 1HB ALA 65 -11.969 4.243 0.727 515 HB2 ALA 65 2HB ALA 65 -13.495 5.122 0.794 516 HB3 ALA 65 3HB ALA 65 -12.362 5.213 2.144 517 H LEU 66 H LEU 66 -9.326 5.805 0.119 518 HA LEU 66 HA LEU 66 -8.565 7.120 2.628 519 HB2 LEU 66 2HB LEU 66 -7.598 4.590 1.347 520 HB3 LEU 66 1HB LEU 66 -6.615 5.443 2.526 521 HG LEU 66 HG LEU 66 -9.446 4.751 3.201 522 HD11 LEU 66 1HD1 LEU 66 -8.629 2.639 4.201 523 HD12 LEU 66 2HD1 LEU 66 -7.092 2.878 3.370 524 HD13 LEU 66 3HD1 LEU 66 -8.573 2.641 2.437 525 HD21 LEU 66 3HD2 LEU 66 -8.520 4.700 5.467 526 HD22 LEU 66 1HD2 LEU 66 -8.210 6.242 4.669 527 HD23 LEU 66 2HD2 LEU 66 -6.918 5.050 4.816 528 H ARG 67 H ARG 67 -8.303 7.465 -0.663 529 HA ARG 67 HA ARG 67 -5.703 8.786 -0.452 530 HB2 ARG 67 2HB ARG 67 -5.661 8.935 -2.812 531 HB3 ARG 67 1HB ARG 67 -6.263 7.327 -2.461 532 HG2 ARG 67 2HG ARG 67 -8.478 7.943 -3.030 533 HG3 ARG 67 1HG ARG 67 -8.053 9.654 -3.092 534 HD2 ARG 67 2HD ARG 67 -6.549 9.155 -5.004 535 HD3 ARG 67 1HD ARG 67 -7.122 7.486 -4.974 536 HE ARG 67 HE ARG 67 -9.410 8.921 -5.160 537 HH11 ARG 67 1HH1 ARG 67 -6.444 9.011 -7.017 538 HH12 ARG 67 2HH1 ARG 67 -7.238 9.454 -8.498 539 HH21 ARG 67 1HH2 ARG 67 -10.454 9.495 -7.071 540 HH22 ARG 67 2HH2 ARG 67 -9.535 9.697 -8.540 541 H LYS 68 H LYS 68 -9.108 9.357 -0.867 542 HA LYS 68 HA LYS 68 -8.659 12.238 -0.469 543 HB2 LYS 68 2HB LYS 68 -10.870 10.956 -2.098 544 HB3 LYS 68 1HB LYS 68 -10.687 12.677 -1.794 545 HG2 LYS 68 2HG LYS 68 -8.472 12.543 -2.977 546 HG3 LYS 68 1HG LYS 68 -8.912 10.900 -3.449 547 HD2 LYS 68 2HD LYS 68 -11.000 11.849 -4.460 548 HD3 LYS 68 1HD LYS 68 -10.348 13.458 -4.147 549 HE2 LYS 68 2HE LYS 68 -9.165 11.326 -5.920 550 HE3 LYS 68 1HE LYS 68 -9.897 12.844 -6.434 551 HZ1 LYS 68 3HZ LYS 68 -7.334 12.463 -4.984 552 HZ2 LYS 68 1HZ LYS 68 -8.095 13.978 -5.136 553 HZ3 LYS 68 2HZ LYS 68 -7.582 13.145 -6.517 554 H GLY 69 H GLY 69 -11.122 13.092 0.149 555 HA2 GLY 69 2HA GLY 69 -12.942 12.780 1.630 556 HA3 GLY 69 1HA GLY 69 -12.212 11.277 2.184 557 H HIS 70 H HIS 70 -9.670 12.120 2.775 558 HA HIS 70 HA HIS 70 -10.023 13.510 5.253 559 HB2 HIS 70 2HB HIS 70 -7.591 13.221 5.529 560 HB3 HIS 70 1HB HIS 70 -8.370 11.712 5.070 561 HD1 HIS 70 1HD HIS 70 -5.752 14.096 4.036 562 HD2 HIS 70 2HD HIS 70 -7.852 10.923 2.344 563 HE1 HIS 70 1HE HIS 70 -4.465 13.449 1.970 564 HE2 HIS 70 2HE HIS 70 -5.872 11.672 0.860 565 H SER 71 H SER 71 -10.388 14.849 2.504 566 HA SER 71 HA SER 71 -8.651 17.185 2.937 567 HB2 SER 71 2HB SER 71 -10.453 16.763 0.558 568 HB3 SER 71 1HB SER 71 -8.971 17.715 0.662 569 HG SER 71 HG SER 71 -7.858 15.993 0.162 570 H GLU 72 H GLU 72 -11.137 16.292 4.387 571 HA GLU 72 HA GLU 72 -13.227 18.114 3.584 572 HB2 GLU 72 2HB GLU 72 -14.484 17.074 5.430 573 HB3 GLU 72 1HB GLU 72 -13.786 15.868 4.359 574 HG2 GLU 72 2HG GLU 72 -11.878 15.698 6.009 575 HG3 GLU 72 1HG GLU 72 -12.863 16.666 7.103 576 H GLY 73 H GLY 73 -10.566 18.187 5.723 577 HA2 GLY 73 2HA GLY 73 -9.860 20.105 6.910 578 HA3 GLY 73 1HA GLY 73 -11.506 20.721 6.851 579 H GLY 74 H GLY 74 -11.212 17.448 7.663 580 HA2 GLY 74 2HA GLY 74 -11.717 18.083 10.505 581 HA3 GLY 74 1HA GLY 74 -12.498 16.761 9.644
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