NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
594435 | 2n2t | 25611 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 1H MET 1 1.455 14.521 -14.814 2 H2 MET 1 2H MET 1 0.168 13.965 -13.876 3 H3 MET 1 3H MET 1 -0.109 15.079 -15.115 4 HA MET 1 HA MET 1 -0.812 12.891 -15.754 5 HB2 MET 1 2HB MET 1 0.040 14.459 -17.480 6 HB3 MET 1 3HB MET 1 1.676 13.873 -17.218 7 HG2 MET 1 2HG MET 1 0.995 11.639 -18.051 8 HG3 MET 1 3HG MET 1 -0.630 12.257 -18.342 9 HE1 MET 1 3HE MET 1 -0.004 15.232 -19.507 10 HE2 MET 1 1HE MET 1 -1.204 14.123 -20.180 11 HE3 MET 1 2HE MET 1 0.005 14.858 -21.229 12 H GLY 2 H GLY 2 -0.595 10.842 -14.988 13 HA2 GLY 2 2HA GLY 2 1.192 8.965 -15.521 14 HA3 GLY 2 3HA GLY 2 2.040 9.764 -14.203 15 H GLN 3 H GLN 3 0.844 7.037 -14.500 16 HA GLN 3 HA GLN 3 -1.258 6.722 -12.584 17 HB2 GLN 3 2HB GLN 3 -0.796 4.973 -14.261 18 HB3 GLN 3 3HB GLN 3 0.834 4.747 -13.633 19 HG2 GLN 3 2HG GLN 3 -0.105 3.905 -11.498 20 HG3 GLN 3 3HG GLN 3 -1.738 4.121 -12.130 21 HE21 GLN 3 1HE2 GLN 3 -0.362 1.691 -11.198 22 HE22 GLN 3 2HE2 GLN 3 -0.438 0.576 -12.514 23 H TRP 4 H TRP 4 -1.116 6.212 -10.378 24 HA TRP 4 HA TRP 4 1.425 6.906 -9.043 25 HB2 TRP 4 2HB TRP 4 -1.395 6.721 -7.897 26 HB3 TRP 4 3HB TRP 4 0.032 7.318 -7.054 27 HD1 TRP 4 HD1 TRP 4 1.022 9.733 -7.884 28 HE1 TRP 4 HE1 TRP 4 -0.137 11.711 -9.035 29 HE3 TRP 4 HE3 TRP 4 -3.243 7.386 -9.486 30 HZ2 TRP 4 HZ2 TRP 4 -2.523 12.228 -10.406 31 HZ3 TRP 4 HZ3 TRP 4 -4.920 8.717 -10.707 32 HH2 TRP 4 HH2 TRP 4 -4.567 11.089 -11.158 33 H GLN 5 H GLN 5 2.588 5.374 -8.090 34 HA GLN 5 HA GLN 5 1.388 2.757 -7.374 35 HB2 GLN 5 2HB GLN 5 2.747 2.451 -9.366 36 HB3 GLN 5 3HB GLN 5 4.078 3.369 -8.672 37 HG2 GLN 5 2HG GLN 5 4.431 1.577 -6.998 38 HG3 GLN 5 3HG GLN 5 3.110 0.653 -7.716 39 HE21 GLN 5 1HE2 GLN 5 6.362 1.870 -8.223 40 HE22 GLN 5 2HE2 GLN 5 6.768 0.809 -9.524 41 H ILE 6 H ILE 6 1.355 2.641 -5.198 42 HA ILE 6 HA ILE 6 3.396 3.991 -3.548 43 HB ILE 6 HB ILE 6 0.741 2.681 -2.791 44 HG12 ILE 6 2HG1 ILE 6 1.595 5.602 -2.928 45 HG13 ILE 6 3HG1 ILE 6 0.401 4.805 -3.946 46 HG21 ILE 6 1HG2 ILE 6 1.072 3.556 -0.501 47 HG22 ILE 6 2HG2 ILE 6 2.675 4.134 -0.958 48 HG23 ILE 6 3HG2 ILE 6 2.342 2.402 -0.935 49 HD11 ILE 6 3HD1 ILE 6 -1.039 4.496 -1.980 50 HD12 ILE 6 1HD1 ILE 6 -0.677 6.188 -2.306 51 HD13 ILE 6 2HD1 ILE 6 0.145 5.355 -0.990 52 H LYS 7 H LYS 7 5.181 2.753 -3.208 53 HA LYS 7 HA LYS 7 4.944 -0.160 -2.828 54 HB2 LYS 7 2HB LYS 7 7.335 1.649 -3.315 55 HB3 LYS 7 3HB LYS 7 7.512 -0.041 -2.843 56 HG2 LYS 7 2HG LYS 7 6.114 -0.647 -4.877 57 HG3 LYS 7 3HG LYS 7 6.256 1.042 -5.382 58 HD2 LYS 7 2HD LYS 7 8.678 0.849 -5.530 59 HD3 LYS 7 3HD LYS 7 8.638 -0.776 -4.839 60 HE2 LYS 7 2HE LYS 7 7.401 -1.576 -6.816 61 HE3 LYS 7 3HE LYS 7 7.447 0.049 -7.500 62 HZ1 LYS 7 3HZ LYS 7 9.815 -1.623 -6.877 63 HZ2 LYS 7 1HZ LYS 7 9.847 -0.077 -7.565 64 HZ3 LYS 7 2HZ LYS 7 9.164 -1.371 -8.411 65 H ILE 8 H ILE 8 4.470 -0.697 -0.848 66 HA ILE 8 HA ILE 8 5.482 0.728 1.517 67 HB ILE 8 HB ILE 8 3.402 -1.500 1.274 68 HG12 ILE 8 2HG1 ILE 8 2.932 1.478 1.713 69 HG13 ILE 8 3HG1 ILE 8 2.712 0.649 0.176 70 HG21 ILE 8 1HG2 ILE 8 2.783 -0.943 3.610 71 HG22 ILE 8 2HG2 ILE 8 4.107 0.219 3.681 72 HG23 ILE 8 3HG2 ILE 8 4.457 -1.502 3.497 73 HD11 ILE 8 3HD1 ILE 8 0.605 1.004 1.278 74 HD12 ILE 8 1HD1 ILE 8 1.151 0.119 2.702 75 HD13 ILE 8 2HD1 ILE 8 0.950 -0.719 1.159 76 H TYR 9 H TYR 9 7.150 -0.145 2.604 77 HA TYR 9 HA TYR 9 7.746 -3.046 2.440 78 HB2 TYR 9 2HB TYR 9 9.713 -0.777 3.034 79 HB3 TYR 9 3HB TYR 9 10.108 -2.487 2.883 80 HD1 TYR 9 HD2 TYR 9 10.156 -3.571 0.641 81 HD2 TYR 9 HD1 TYR 9 9.361 0.619 1.025 82 HE1 TYR 9 HE2 TYR 9 10.553 -3.262 -1.768 83 HE2 TYR 9 HE1 TYR 9 9.760 0.916 -1.379 84 HH TYR 9 HH TYR 9 10.997 -0.251 -3.193 85 H SER 10 H SER 10 6.746 -3.807 4.213 86 HA SER 10 HA SER 10 7.555 -2.798 6.843 87 HB2 SER 10 2HB SER 10 4.650 -3.330 6.089 88 HB3 SER 10 3HB SER 10 5.235 -2.948 7.708 89 HG SER 10 HG SER 10 6.150 -0.995 6.457 90 H GLU 11 H GLU 11 8.141 -4.396 8.108 91 HA GLU 11 HA GLU 11 8.348 -7.054 7.003 92 HB2 GLU 11 2HB GLU 11 9.450 -5.909 9.605 93 HB3 GLU 11 3HB GLU 11 9.969 -7.400 8.820 94 HG2 GLU 11 2HG GLU 11 10.941 -6.190 6.964 95 HG3 GLU 11 3HG GLU 11 10.222 -4.671 7.502 96 H ASN 12 H ASN 12 6.766 -5.512 9.771 97 HA ASN 12 HA ASN 12 5.965 -7.926 11.101 98 HB2 ASN 12 2HB ASN 12 6.223 -5.859 12.392 99 HB3 ASN 12 3HB ASN 12 5.025 -5.040 11.403 100 HD21 ASN 12 1HD2 ASN 12 3.647 -4.512 13.096 101 HD22 ASN 12 2HD2 ASN 12 2.771 -5.682 14.016 102 H GLU 13 H GLU 13 3.857 -8.748 11.325 103 HA GLU 13 HA GLU 13 2.635 -9.315 8.839 104 HB2 GLU 13 2HB GLU 13 2.973 -10.890 10.808 105 HB3 GLU 13 3HB GLU 13 1.645 -10.072 11.620 106 HG2 GLU 13 2HG GLU 13 0.891 -12.155 10.600 107 HG3 GLU 13 3HG GLU 13 0.112 -10.770 9.838 108 H ARG 14 H ARG 14 1.473 -7.612 11.744 109 HA ARG 14 HA ARG 14 -1.166 -7.091 11.080 110 HB2 ARG 14 2HB ARG 14 -0.348 -6.721 13.328 111 HB3 ARG 14 3HB ARG 14 0.844 -5.554 12.776 112 HG2 ARG 14 2HG ARG 14 -0.994 -4.446 13.963 113 HG3 ARG 14 3HG ARG 14 -0.935 -3.936 12.276 114 HD2 ARG 14 2HD ARG 14 -3.245 -4.302 13.055 115 HD3 ARG 14 3HD ARG 14 -2.823 -5.405 11.745 116 HE ARG 14 HE ARG 14 -2.404 -7.093 13.584 117 HH11 ARG 14 1HH1 ARG 14 -4.831 -4.548 13.929 118 HH12 ARG 14 2HH1 ARG 14 -5.794 -5.459 15.050 119 HH21 ARG 14 1HH2 ARG 14 -3.671 -8.251 15.072 120 HH22 ARG 14 2HH2 ARG 14 -5.133 -7.550 15.692 121 H GLU 15 H GLU 15 1.742 -5.457 10.048 122 HA GLU 15 HA GLU 15 0.653 -2.953 9.354 123 HB2 GLU 15 2HB GLU 15 3.136 -4.214 8.144 124 HB3 GLU 15 3HB GLU 15 2.791 -2.502 8.331 125 HG2 GLU 15 2HG GLU 15 3.542 -4.507 10.454 126 HG3 GLU 15 3HG GLU 15 4.446 -3.088 9.947 127 H PHE 16 H PHE 16 1.624 -5.730 7.334 128 HA PHE 16 HA PHE 16 0.660 -4.644 4.890 129 HB2 PHE 16 2HB PHE 16 1.941 -7.208 5.738 130 HB3 PHE 16 3HB PHE 16 0.903 -7.329 4.320 131 HD1 PHE 16 HD2 PHE 16 3.030 -4.412 5.347 132 HD2 PHE 16 HD1 PHE 16 2.483 -7.629 2.584 133 HE1 PHE 16 HE2 PHE 16 4.825 -3.518 3.937 134 HE2 PHE 16 HE1 PHE 16 4.277 -6.715 1.188 135 HZ PHE 16 HZ PHE 16 5.450 -4.663 1.865 136 H ARG 17 H ARG 17 -0.627 -7.134 7.116 137 HA ARG 17 HA ARG 17 -2.861 -7.893 5.633 138 HB2 ARG 17 2HB ARG 17 -2.412 -7.891 8.637 139 HB3 ARG 17 3HB ARG 17 -3.896 -8.513 7.914 140 HG2 ARG 17 2HG ARG 17 -2.511 -10.115 6.578 141 HG3 ARG 17 3HG ARG 17 -1.087 -9.573 7.471 142 HD2 ARG 17 2HD ARG 17 -2.097 -10.337 9.579 143 HD3 ARG 17 3HD ARG 17 -3.569 -10.815 8.723 144 HE ARG 17 HE ARG 17 -1.383 -12.139 7.555 145 HH11 ARG 17 1HH1 ARG 17 -3.105 -12.183 10.631 146 HH12 ARG 17 2HH1 ARG 17 -2.743 -13.848 10.944 147 HH21 ARG 17 1HH2 ARG 17 -0.974 -14.329 7.963 148 HH22 ARG 17 2HH2 ARG 17 -1.537 -15.066 9.432 149 H GLU 18 H GLU 18 -2.482 -5.120 7.846 150 HA GLU 18 HA GLU 18 -5.109 -4.206 7.943 151 HB2 GLU 18 2HB GLU 18 -2.452 -3.003 8.429 152 HB3 GLU 18 3HB GLU 18 -3.574 -1.821 7.776 153 HG2 GLU 18 2HG GLU 18 -3.976 -3.482 10.281 154 HG3 GLU 18 3HG GLU 18 -3.582 -1.763 10.212 155 H LEU 19 H LEU 19 -2.574 -3.180 5.621 156 HA LEU 19 HA LEU 19 -4.282 -1.584 4.052 157 HB2 LEU 19 2HB LEU 19 -1.504 -2.689 3.636 158 HB3 LEU 19 3HB LEU 19 -2.331 -1.971 2.266 159 HG LEU 19 HG LEU 19 -0.829 -0.349 3.355 160 HD11 LEU 19 1HD1 LEU 19 -3.745 0.441 3.690 161 HD12 LEU 19 2HD1 LEU 19 -2.813 0.518 2.192 162 HD13 LEU 19 3HD1 LEU 19 -2.368 1.540 3.556 163 HD21 LEU 19 3HD2 LEU 19 -1.233 0.531 5.595 164 HD22 LEU 19 1HD2 LEU 19 -0.920 -1.202 5.663 165 HD23 LEU 19 2HD2 LEU 19 -2.570 -0.598 5.828 166 H ILE 20 H ILE 20 -3.150 -4.933 3.522 167 HA ILE 20 HA ILE 20 -4.100 -5.554 1.028 168 HB ILE 20 HB ILE 20 -4.100 -7.326 3.518 169 HG12 ILE 20 2HG1 ILE 20 -1.853 -6.475 2.817 170 HG13 ILE 20 3HG1 ILE 20 -1.971 -8.223 2.706 171 HG21 ILE 20 1HG2 ILE 20 -4.445 -8.219 0.626 172 HG22 ILE 20 2HG2 ILE 20 -5.653 -8.320 1.909 173 HG23 ILE 20 3HG2 ILE 20 -4.189 -9.296 2.002 174 HD11 ILE 20 3HD1 ILE 20 -0.745 -7.314 0.853 175 HD12 ILE 20 1HD1 ILE 20 -2.096 -6.271 0.419 176 HD13 ILE 20 2HD1 ILE 20 -2.252 -8.025 0.275 177 H GLU 21 H GLU 21 -5.895 -5.858 4.100 178 HA GLU 21 HA GLU 21 -8.366 -6.701 2.999 179 HB2 GLU 21 2HB GLU 21 -7.771 -5.412 5.695 180 HB3 GLU 21 3HB GLU 21 -9.284 -6.214 5.269 181 HG2 GLU 21 2HG GLU 21 -8.084 -8.354 4.969 182 HG3 GLU 21 3HG GLU 21 -6.560 -7.555 5.358 183 H ARG 22 H ARG 22 -7.125 -3.493 4.051 184 HA ARG 22 HA ARG 22 -9.503 -2.018 3.803 185 HB2 ARG 22 2HB ARG 22 -6.661 -0.971 3.413 186 HB3 ARG 22 3HB ARG 22 -8.084 0.041 3.628 187 HG2 ARG 22 2HG ARG 22 -6.872 -1.838 5.660 188 HG3 ARG 22 3HG ARG 22 -6.853 -0.081 5.710 189 HD2 ARG 22 2HD ARG 22 -9.244 -0.011 6.098 190 HD3 ARG 22 3HD ARG 22 -9.388 -1.752 5.827 191 HE ARG 22 HE ARG 22 -7.562 -1.367 7.900 192 HH11 ARG 22 1HH1 ARG 22 -11.018 -0.906 7.360 193 HH12 ARG 22 2HH1 ARG 22 -11.423 -1.124 9.036 194 HH21 ARG 22 1HH2 ARG 22 -8.094 -1.640 10.065 195 HH22 ARG 22 2HH2 ARG 22 -9.758 -1.542 10.569 196 H LEU 23 H LEU 23 -6.964 -2.646 1.404 197 HA LEU 23 HA LEU 23 -7.783 -0.857 -0.606 198 HB2 LEU 23 2HB LEU 23 -6.247 -3.473 -0.888 199 HB3 LEU 23 3HB LEU 23 -6.342 -2.227 -2.125 200 HG LEU 23 HG LEU 23 -5.107 -1.807 0.620 201 HD11 LEU 23 1HD1 LEU 23 -2.931 -1.913 -0.433 202 HD12 LEU 23 2HD1 LEU 23 -3.670 -2.288 -1.992 203 HD13 LEU 23 3HD1 LEU 23 -3.802 -3.430 -0.651 204 HD21 LEU 23 3HD2 LEU 23 -4.192 0.264 -0.303 205 HD22 LEU 23 1HD2 LEU 23 -5.954 0.268 -0.345 206 HD23 LEU 23 2HD2 LEU 23 -5.038 -0.021 -1.826 207 H GLU 24 H GLU 24 -8.713 -4.191 0.070 208 HA GLU 24 HA GLU 24 -10.364 -4.565 -2.246 209 HB2 GLU 24 2HB GLU 24 -10.288 -6.109 0.375 210 HB3 GLU 24 3HB GLU 24 -11.149 -6.614 -1.077 211 HG2 GLU 24 2HG GLU 24 -8.928 -6.636 -2.288 212 HG3 GLU 24 3HG GLU 24 -8.151 -6.365 -0.725 213 H GLU 25 H GLU 25 -10.868 -3.392 1.041 214 HA GLU 25 HA GLU 25 -13.772 -3.460 0.854 215 HB2 GLU 25 2HB GLU 25 -12.010 -2.352 3.088 216 HB3 GLU 25 3HB GLU 25 -13.747 -2.615 3.171 217 HG2 GLU 25 2HG GLU 25 -11.588 -4.724 2.991 218 HG3 GLU 25 3HG GLU 25 -12.637 -4.394 4.361 219 H GLU 26 H GLU 26 -11.308 -1.154 0.101 220 HA GLU 26 HA GLU 26 -12.935 1.223 0.493 221 HB2 GLU 26 2HB GLU 26 -10.355 0.925 -1.133 222 HB3 GLU 26 3HB GLU 26 -11.156 2.443 -0.763 223 HG2 GLU 26 2HG GLU 26 -9.535 0.664 1.031 224 HG3 GLU 26 3HG GLU 26 -9.398 2.398 0.767 225 H ARG 27 H ARG 27 -14.605 1.616 -0.750 226 HA ARG 27 HA ARG 27 -15.164 0.337 -3.213 227 HB2 ARG 27 2HB ARG 27 -16.519 2.478 -1.575 228 HB3 ARG 27 3HB ARG 27 -16.974 2.371 -3.270 229 HG2 ARG 27 2HG ARG 27 -18.522 1.107 -1.852 230 HG3 ARG 27 3HG ARG 27 -17.674 0.051 -2.981 231 HD2 ARG 27 2HD ARG 27 -16.110 -0.582 -1.116 232 HD3 ARG 27 3HD ARG 27 -17.111 0.370 -0.010 233 HE ARG 27 HE ARG 27 -18.845 -1.353 -1.275 234 HH11 ARG 27 1HH1 ARG 27 -16.001 -1.762 0.760 235 HH12 ARG 27 2HH1 ARG 27 -16.532 -3.287 1.389 236 HH21 ARG 27 1HH2 ARG 27 -19.504 -3.351 -0.469 237 HH22 ARG 27 2HH2 ARG 27 -18.518 -4.187 0.690 238 HA PRO 28 HA PRO 28 -15.799 0.318 -5.396 239 HB2 PRO 28 2HB PRO 28 -13.917 0.127 -7.693 240 HB3 PRO 28 3HB PRO 28 -15.663 0.450 -7.705 241 HG2 PRO 28 2HG PRO 28 -13.878 2.368 -8.348 242 HG3 PRO 28 3HG PRO 28 -15.401 2.745 -7.511 243 HD2 PRO 28 2HD PRO 28 -12.639 2.420 -6.315 244 HD3 PRO 28 3HD PRO 28 -13.837 3.711 -6.045 245 H SER 29 H SER 29 -12.340 0.100 -6.257 246 HA SER 29 HA SER 29 -11.533 -1.568 -4.151 247 HB2 SER 29 2HB SER 29 -12.888 -3.287 -5.441 248 HB3 SER 29 3HB SER 29 -11.791 -3.070 -6.807 249 HG SER 29 HG SER 29 -10.931 -3.785 -4.198 250 H VAL 30 H VAL 30 -9.300 -1.705 -4.130 251 HA VAL 30 HA VAL 30 -7.886 -0.077 -6.130 252 HB VAL 30 HB VAL 30 -6.988 -0.860 -3.323 253 HG11 VAL 30 1HG1 VAL 30 -5.815 1.157 -5.267 254 HG12 VAL 30 2HG1 VAL 30 -5.106 -0.403 -4.842 255 HG13 VAL 30 3HG1 VAL 30 -5.251 0.864 -3.623 256 HG21 VAL 30 3HG2 VAL 30 -8.965 0.596 -3.195 257 HG22 VAL 30 1HG2 VAL 30 -8.197 1.767 -4.273 258 HG23 VAL 30 2HG2 VAL 30 -7.528 1.474 -2.666 259 H GLN 31 H GLN 31 -6.321 -0.973 -7.407 260 HA GLN 31 HA GLN 31 -5.750 -3.791 -7.358 261 HB2 GLN 31 2HB GLN 31 -4.350 -1.561 -8.899 262 HB3 GLN 31 3HB GLN 31 -4.096 -3.285 -9.152 263 HG2 GLN 31 2HG GLN 31 -6.506 -3.483 -9.792 264 HG3 GLN 31 3HG GLN 31 -6.631 -1.723 -9.695 265 HE21 GLN 31 1HE2 GLN 31 -5.398 -0.455 -11.207 266 HE22 GLN 31 2HE2 GLN 31 -4.871 -1.132 -12.708 267 H TYR 32 H TYR 32 -3.901 -4.814 -6.660 268 HA TYR 32 HA TYR 32 -1.557 -3.444 -5.733 269 HB2 TYR 32 2HB TYR 32 -1.668 -4.072 -3.379 270 HB3 TYR 32 3HB TYR 32 -3.097 -3.131 -3.773 271 HD1 TYR 32 HD1 TYR 32 -5.354 -4.310 -3.972 272 HD2 TYR 32 HD2 TYR 32 -1.865 -6.357 -2.569 273 HE1 TYR 32 HE1 TYR 32 -6.769 -6.079 -3.013 274 HE2 TYR 32 HE2 TYR 32 -3.285 -8.117 -1.617 275 HH TYR 32 HH TYR 32 -6.636 -8.365 -2.301 276 H THR 33 H THR 33 0.047 -5.003 -4.854 277 HA THR 33 HA THR 33 -0.399 -7.843 -5.199 278 HB THR 33 HB THR 33 0.186 -7.282 -7.490 279 HG1 THR 33 HG1 THR 33 1.096 -9.195 -6.673 280 HG21 THR 33 3HG2 THR 33 2.720 -5.997 -6.436 281 HG22 THR 33 1HG2 THR 33 1.352 -5.138 -7.152 282 HG23 THR 33 2HG2 THR 33 2.316 -6.239 -8.137 283 H GLU 34 H GLU 34 0.842 -8.936 -3.755 284 HA GLU 34 HA GLU 34 2.984 -7.485 -2.297 285 HB2 GLU 34 2HB GLU 34 0.965 -8.023 -0.941 286 HB3 GLU 34 3HB GLU 34 1.172 -9.729 -1.286 287 HG2 GLU 34 2HG GLU 34 3.322 -8.134 0.123 288 HG3 GLU 34 3HG GLU 34 1.962 -8.807 1.012 289 H THR 35 H THR 35 4.955 -8.382 -2.281 290 HA THR 35 HA THR 35 5.436 -11.149 -3.109 291 HB THR 35 HB THR 35 6.607 -8.744 -4.592 292 HG1 THR 35 HG1 THR 35 4.594 -10.603 -5.127 293 HG21 THR 35 3HG2 THR 35 7.775 -10.425 -6.008 294 HG22 THR 35 1HG2 THR 35 7.227 -11.704 -4.934 295 HG23 THR 35 2HG2 THR 35 8.346 -10.471 -4.336 296 H THR 36 H THR 36 6.763 -11.930 -1.578 297 HA THR 36 HA THR 36 8.530 -10.239 -0.033 298 HB THR 36 HB THR 36 8.277 -13.280 0.027 299 HG1 THR 36 HG1 THR 36 6.506 -11.459 0.726 300 HG21 THR 36 3HG2 THR 36 9.274 -13.082 2.281 301 HG22 THR 36 1HG2 THR 36 9.415 -11.336 2.090 302 HG23 THR 36 2HG2 THR 36 10.377 -12.417 1.076 303 H ARG 37 H ARG 37 10.194 -9.483 -1.190 304 HA ARG 37 HA ARG 37 11.972 -11.348 -2.649 305 HB2 ARG 37 2HB ARG 37 10.629 -9.947 -4.218 306 HB3 ARG 37 3HB ARG 37 11.241 -8.496 -3.434 307 HG2 ARG 37 2HG ARG 37 13.500 -8.950 -4.218 308 HG3 ARG 37 3HG ARG 37 12.994 -10.508 -4.881 309 HD2 ARG 37 2HD ARG 37 13.220 -8.746 -6.622 310 HD3 ARG 37 3HD ARG 37 11.585 -9.406 -6.529 311 HE ARG 37 HE ARG 37 11.769 -7.097 -4.903 312 HH11 ARG 37 1HH1 ARG 37 11.636 -7.951 -8.323 313 HH12 ARG 37 2HH1 ARG 37 10.950 -6.425 -8.784 314 HH21 ARG 37 1HH2 ARG 37 10.935 -5.105 -5.551 315 HH22 ARG 37 2HH2 ARG 37 10.557 -4.821 -7.221 316 H ASN 38 H ASN 38 14.119 -11.121 -2.210 317 HA ASN 38 HA ASN 38 16.088 -10.503 -1.282 318 HB2 ASN 38 2HB ASN 38 14.849 -7.738 -0.884 319 HB3 ASN 38 3HB ASN 38 16.559 -8.119 -0.804 320 HD21 ASN 38 1HD2 ASN 38 16.450 -9.897 -3.180 321 HD22 ASN 38 2HD2 ASN 38 16.295 -8.833 -4.523 322 H GLY 39 H GLY 39 13.745 -11.495 0.319 323 HA2 GLY 39 2HA GLY 39 13.824 -12.387 2.492 324 HA3 GLY 39 3HA GLY 39 14.950 -11.132 2.980 325 H ARG 40 H ARG 40 12.898 -9.219 1.538 326 HA ARG 40 HA ARG 40 11.032 -8.968 3.838 327 HB2 ARG 40 2HB ARG 40 12.521 -6.830 2.249 328 HB3 ARG 40 3HB ARG 40 11.071 -6.446 3.176 329 HG2 ARG 40 2HG ARG 40 12.159 -7.215 5.239 330 HG3 ARG 40 3HG ARG 40 13.611 -7.632 4.328 331 HD2 ARG 40 2HD ARG 40 14.079 -5.342 3.839 332 HD3 ARG 40 3HD ARG 40 12.484 -4.816 4.389 333 HE ARG 40 HE ARG 40 13.436 -5.882 6.622 334 HH11 ARG 40 1HH1 ARG 40 15.075 -3.705 4.395 335 HH12 ARG 40 2HH1 ARG 40 16.044 -2.976 5.637 336 HH21 ARG 40 1HH2 ARG 40 14.633 -4.872 8.246 337 HH22 ARG 40 2HH2 ARG 40 15.788 -3.643 7.825 338 H ARG 41 H ARG 41 8.938 -8.447 3.410 339 HA ARG 41 HA ARG 41 7.929 -8.899 0.726 340 HB2 ARG 41 2HB ARG 41 5.652 -8.600 1.893 341 HB3 ARG 41 3HB ARG 41 6.621 -10.000 2.327 342 HG2 ARG 41 2HG ARG 41 7.326 -8.915 4.408 343 HG3 ARG 41 3HG ARG 41 6.415 -7.461 3.985 344 HD2 ARG 41 2HD ARG 41 4.340 -8.523 4.288 345 HD3 ARG 41 3HD ARG 41 5.028 -10.144 4.136 346 HE ARG 41 HE ARG 41 5.997 -8.698 6.431 347 HH11 ARG 41 1HH1 ARG 41 3.400 -10.716 5.230 348 HH12 ARG 41 2HH1 ARG 41 2.963 -11.309 6.797 349 HH21 ARG 41 1HH2 ARG 41 5.499 -9.593 8.470 350 HH22 ARG 41 2HH2 ARG 41 4.152 -10.673 8.626 351 H GLN 42 H GLN 42 6.915 -7.454 -0.559 352 HA GLN 42 HA GLN 42 6.784 -4.620 0.254 353 HB2 GLN 42 2HB GLN 42 7.517 -3.984 -2.050 354 HB3 GLN 42 3HB GLN 42 8.761 -4.824 -1.136 355 HG2 GLN 42 2HG GLN 42 8.319 -6.889 -2.375 356 HG3 GLN 42 3HG GLN 42 7.022 -6.098 -3.270 357 HE21 GLN 42 1HE2 GLN 42 7.554 -4.557 -4.853 358 HE22 GLN 42 2HE2 GLN 42 9.140 -4.459 -5.524 359 H LEU 43 H LEU 43 4.870 -3.737 -0.102 360 HA LEU 43 HA LEU 43 2.813 -5.121 -1.677 361 HB2 LEU 43 2HB LEU 43 2.752 -3.994 0.887 362 HB3 LEU 43 3HB LEU 43 2.050 -2.713 -0.072 363 HG LEU 43 HG LEU 43 1.003 -5.554 0.206 364 HD11 LEU 43 1HD1 LEU 43 -0.122 -2.918 1.197 365 HD12 LEU 43 2HD1 LEU 43 0.586 -4.206 2.177 366 HD13 LEU 43 3HD1 LEU 43 -0.924 -4.489 1.314 367 HD21 LEU 43 3HD2 LEU 43 0.572 -4.802 -2.070 368 HD22 LEU 43 1HD2 LEU 43 -0.139 -3.301 -1.473 369 HD23 LEU 43 2HD2 LEU 43 -0.929 -4.846 -1.150 370 H THR 44 H THR 44 2.936 -4.439 -3.729 371 HA THR 44 HA THR 44 3.601 -1.662 -4.405 372 HB THR 44 HB THR 44 3.437 -4.152 -6.169 373 HG1 THR 44 HG1 THR 44 5.159 -3.963 -4.446 374 HG21 THR 44 3HG2 THR 44 4.691 -2.805 -7.827 375 HG22 THR 44 1HG2 THR 44 4.601 -1.406 -6.759 376 HG23 THR 44 2HG2 THR 44 3.126 -2.070 -7.468 377 H ILE 45 H ILE 45 1.821 -0.464 -4.389 378 HA ILE 45 HA ILE 45 -0.839 -1.573 -5.034 379 HB ILE 45 HB ILE 45 -0.042 0.970 -3.525 380 HG12 ILE 45 2HG1 ILE 45 -1.105 -1.703 -2.501 381 HG13 ILE 45 3HG1 ILE 45 0.536 -1.100 -2.297 382 HG21 ILE 45 1HG2 ILE 45 -2.806 -0.242 -3.916 383 HG22 ILE 45 2HG2 ILE 45 -2.218 1.249 -4.658 384 HG23 ILE 45 3HG2 ILE 45 -2.431 1.157 -2.908 385 HD11 ILE 45 3HD1 ILE 45 -0.714 -0.861 -0.273 386 HD12 ILE 45 1HD1 ILE 45 -1.956 0.084 -1.095 387 HD13 ILE 45 2HD1 ILE 45 -0.319 0.728 -0.924 388 H ARG 46 H ARG 46 -1.926 -0.842 -6.782 389 HA ARG 46 HA ARG 46 -0.770 1.346 -8.418 390 HB2 ARG 46 2HB ARG 46 -2.269 -1.089 -9.489 391 HB3 ARG 46 3HB ARG 46 -1.341 0.092 -10.411 392 HG2 ARG 46 2HG ARG 46 0.738 -0.749 -9.218 393 HG3 ARG 46 3HG ARG 46 -0.260 -2.027 -8.522 394 HD2 ARG 46 2HD ARG 46 0.378 -1.571 -11.449 395 HD3 ARG 46 3HD ARG 46 0.885 -2.926 -10.438 396 HE ARG 46 HE ARG 46 -1.867 -2.991 -10.392 397 HH11 ARG 46 1HH1 ARG 46 0.601 -3.218 -12.893 398 HH12 ARG 46 2HH1 ARG 46 -0.384 -4.190 -13.938 399 HH21 ARG 46 1HH2 ARG 46 -3.176 -4.199 -11.827 400 HH22 ARG 46 2HH2 ARG 46 -2.514 -4.742 -13.337 401 H SER 47 H SER 47 -2.115 3.040 -8.443 402 HA SER 47 HA SER 47 -5.030 2.660 -8.031 403 HB2 SER 47 2HB SER 47 -4.970 4.973 -7.052 404 HB3 SER 47 3HB SER 47 -3.967 3.829 -6.154 405 HG SER 47 HG SER 47 -2.159 4.650 -7.295 406 H ASN 48 H ASN 48 -6.443 3.844 -9.297 407 HA ASN 48 HA ASN 48 -5.384 4.861 -11.849 408 HB2 ASN 48 2HB ASN 48 -7.662 4.639 -12.717 409 HB3 ASN 48 3HB ASN 48 -7.187 3.136 -11.935 410 HD21 ASN 48 1HD2 ASN 48 -8.117 2.632 -9.879 411 HD22 ASN 48 2HD2 ASN 48 -9.598 3.353 -9.373 412 H ASP 49 H ASP 49 -6.994 5.915 -8.923 413 HA ASP 49 HA ASP 49 -7.528 8.604 -10.066 414 HB2 ASP 49 2HB ASP 49 -9.608 7.335 -9.516 415 HB3 ASP 49 3HB ASP 49 -9.072 7.167 -7.848 416 H LYS 50 H LYS 50 -7.134 10.407 -8.800 417 HA LYS 50 HA LYS 50 -4.806 10.344 -7.190 418 HB2 LYS 50 2HB LYS 50 -5.467 12.232 -8.724 419 HB3 LYS 50 3HB LYS 50 -6.758 12.653 -7.602 420 HG2 LYS 50 2HG LYS 50 -4.829 14.133 -7.304 421 HG3 LYS 50 3HG LYS 50 -5.085 13.160 -5.852 422 HD2 LYS 50 2HD LYS 50 -3.256 11.663 -6.495 423 HD3 LYS 50 3HD LYS 50 -3.036 12.534 -8.015 424 HE2 LYS 50 2HE LYS 50 -1.329 13.176 -6.388 425 HE3 LYS 50 3HE LYS 50 -2.370 14.553 -6.749 426 HZ1 LYS 50 3HZ LYS 50 -3.555 14.156 -4.676 427 HZ2 LYS 50 1HZ LYS 50 -1.902 14.347 -4.380 428 HZ3 LYS 50 2HZ LYS 50 -2.595 12.808 -4.345 429 H ASN 51 H ASN 51 -8.244 11.052 -6.384 430 HA ASN 51 HA ASN 51 -7.822 11.601 -3.619 431 HB2 ASN 51 2HB ASN 51 -10.394 10.507 -4.858 432 HB3 ASN 51 3HB ASN 51 -10.245 11.420 -3.359 433 HD21 ASN 51 1HD2 ASN 51 -10.246 11.605 -6.838 434 HD22 ASN 51 2HD2 ASN 51 -10.375 13.329 -6.942 435 H GLU 52 H GLU 52 -8.295 8.675 -5.447 436 HA GLU 52 HA GLU 52 -8.683 6.802 -3.363 437 HB2 GLU 52 2HB GLU 52 -9.226 6.262 -5.673 438 HB3 GLU 52 3HB GLU 52 -7.553 6.488 -6.168 439 HG2 GLU 52 2HG GLU 52 -6.890 4.512 -4.847 440 HG3 GLU 52 3HG GLU 52 -8.560 4.302 -4.313 441 H VAL 53 H VAL 53 -5.696 7.767 -5.162 442 HA VAL 53 HA VAL 53 -3.971 6.057 -3.704 443 HB VAL 53 HB VAL 53 -3.370 6.972 -5.955 444 HG11 VAL 53 1HG1 VAL 53 -2.309 9.190 -6.181 445 HG12 VAL 53 2HG1 VAL 53 -2.752 9.565 -4.513 446 HG13 VAL 53 3HG1 VAL 53 -4.008 9.315 -5.722 447 HG21 VAL 53 3HG2 VAL 53 -1.655 5.915 -4.580 448 HG22 VAL 53 1HG2 VAL 53 -1.312 7.448 -3.781 449 HG23 VAL 53 2HG2 VAL 53 -0.947 7.247 -5.494 450 H ASP 54 H ASP 54 -5.071 9.339 -3.148 451 HA ASP 54 HA ASP 54 -3.233 10.052 -1.095 452 HB2 ASP 54 2HB ASP 54 -6.025 11.098 -1.738 453 HB3 ASP 54 3HB ASP 54 -4.993 11.798 -0.491 454 H ARG 55 H ARG 55 -6.409 8.455 -1.060 455 HA ARG 55 HA ARG 55 -6.783 8.271 1.733 456 HB2 ARG 55 2HB ARG 55 -8.595 7.768 0.169 457 HB3 ARG 55 3HB ARG 55 -7.695 6.404 -0.489 458 HG2 ARG 55 2HG ARG 55 -7.860 5.256 1.729 459 HG3 ARG 55 3HG ARG 55 -8.816 6.612 2.335 460 HD2 ARG 55 2HD ARG 55 -9.577 4.774 0.049 461 HD3 ARG 55 3HD ARG 55 -10.244 4.735 1.684 462 HE ARG 55 HE ARG 55 -10.538 7.288 0.424 463 HH11 ARG 55 1HH1 ARG 55 -12.015 4.099 0.636 464 HH12 ARG 55 2HH1 ARG 55 -13.582 4.682 0.184 465 HH21 ARG 55 1HH2 ARG 55 -12.600 8.022 -0.124 466 HH22 ARG 55 2HH2 ARG 55 -13.911 6.895 -0.243 467 H ILE 56 H ILE 56 -5.140 6.126 -0.565 468 HA ILE 56 HA ILE 56 -4.532 3.994 1.234 469 HB ILE 56 HB ILE 56 -3.118 4.759 -1.363 470 HG12 ILE 56 2HG1 ILE 56 -5.395 2.742 -1.156 471 HG13 ILE 56 3HG1 ILE 56 -5.699 4.444 -1.485 472 HG21 ILE 56 1HG2 ILE 56 -2.523 2.360 -1.506 473 HG22 ILE 56 2HG2 ILE 56 -3.274 2.086 0.066 474 HG23 ILE 56 3HG2 ILE 56 -1.850 3.120 -0.059 475 HD11 ILE 56 3HD1 ILE 56 -4.040 2.587 -3.186 476 HD12 ILE 56 1HD1 ILE 56 -4.321 4.303 -3.498 477 HD13 ILE 56 2HD1 ILE 56 -5.670 3.171 -3.527 478 H LEU 57 H LEU 57 -2.797 6.804 0.055 479 HA LEU 57 HA LEU 57 -0.226 6.383 1.014 480 HB2 LEU 57 2HB LEU 57 -1.242 8.123 -0.668 481 HB3 LEU 57 3HB LEU 57 -1.480 9.135 0.737 482 HG LEU 57 HG LEU 57 1.247 8.081 -0.090 483 HD11 LEU 57 1HD1 LEU 57 0.332 9.379 -1.946 484 HD12 LEU 57 2HD1 LEU 57 1.663 10.239 -1.179 485 HD13 LEU 57 3HD1 LEU 57 -0.003 10.735 -0.864 486 HD21 LEU 57 3HD2 LEU 57 0.493 10.402 1.717 487 HD22 LEU 57 1HD2 LEU 57 2.139 9.954 1.246 488 HD23 LEU 57 2HD2 LEU 57 1.171 8.856 2.227 489 H GLU 58 H GLU 58 -2.951 8.197 2.476 490 HA GLU 58 HA GLU 58 -1.532 8.771 4.909 491 HB2 GLU 58 2HB GLU 58 -3.658 9.631 5.757 492 HB3 GLU 58 3HB GLU 58 -3.354 10.231 4.132 493 HG2 GLU 58 2HG GLU 58 -4.911 8.554 3.215 494 HG3 GLU 58 3HG GLU 58 -5.241 7.964 4.846 495 H GLU 59 H GLU 59 -3.782 6.220 3.847 496 HA GLU 59 HA GLU 59 -4.457 5.110 6.316 497 HB2 GLU 59 2HB GLU 59 -4.567 4.156 3.491 498 HB3 GLU 59 3HB GLU 59 -4.499 2.858 4.675 499 HG2 GLU 59 2HG GLU 59 -6.560 5.086 4.644 500 HG3 GLU 59 3HG GLU 59 -6.814 3.447 4.043 501 H VAL 60 H VAL 60 -1.675 4.345 4.222 502 HA VAL 60 HA VAL 60 -0.707 2.305 5.975 503 HB VAL 60 HB VAL 60 -0.108 2.273 3.600 504 HG11 VAL 60 1HG1 VAL 60 1.570 3.789 2.635 505 HG12 VAL 60 2HG1 VAL 60 1.585 4.731 4.128 506 HG13 VAL 60 3HG1 VAL 60 0.122 4.666 3.142 507 HG21 VAL 60 3HG2 VAL 60 2.283 1.696 3.860 508 HG22 VAL 60 1HG2 VAL 60 1.302 1.067 5.188 509 HG23 VAL 60 2HG2 VAL 60 2.299 2.502 5.428 510 H ARG 61 H ARG 61 -0.118 5.799 5.721 511 HA ARG 61 HA ARG 61 2.112 5.845 7.539 512 HB2 ARG 61 2HB ARG 61 0.264 8.066 6.585 513 HB3 ARG 61 3HB ARG 61 1.715 8.325 7.549 514 HG2 ARG 61 2HG ARG 61 3.095 7.349 5.725 515 HG3 ARG 61 3HG ARG 61 1.637 7.142 4.750 516 HD2 ARG 61 2HD ARG 61 2.815 9.168 4.059 517 HD3 ARG 61 3HD ARG 61 1.275 9.601 4.811 518 HE ARG 61 HE ARG 61 3.534 9.582 6.620 519 HH11 ARG 61 1HH1 ARG 61 1.673 11.598 4.418 520 HH12 ARG 61 2HH1 ARG 61 2.193 13.077 5.159 521 HH21 ARG 61 1HH2 ARG 61 4.206 11.526 7.556 522 HH22 ARG 61 2HH2 ARG 61 3.625 13.037 6.931 523 H ARG 62 H ARG 62 -1.351 5.840 7.981 524 HA ARG 62 HA ARG 62 -1.218 6.935 10.716 525 HB2 ARG 62 2HB ARG 62 -3.569 6.225 8.911 526 HB3 ARG 62 3HB ARG 62 -3.741 6.861 10.544 527 HG2 ARG 62 2HG ARG 62 -2.795 8.981 9.917 528 HG3 ARG 62 3HG ARG 62 -2.278 8.360 8.347 529 HD2 ARG 62 2HD ARG 62 -4.269 9.771 8.105 530 HD3 ARG 62 3HD ARG 62 -4.637 8.099 7.671 531 HE ARG 62 HE ARG 62 -5.237 8.582 10.404 532 HH11 ARG 62 1HH1 ARG 62 -6.552 9.246 7.195 533 HH12 ARG 62 2HH1 ARG 62 -8.180 9.375 7.777 534 HH21 ARG 62 1HH2 ARG 62 -7.356 8.774 11.124 535 HH22 ARG 62 2HH2 ARG 62 -8.635 9.109 9.996 536 H LYS 63 H LYS 63 -2.246 3.966 8.986 537 HA LYS 63 HA LYS 63 -2.964 2.540 11.414 538 HB2 LYS 63 2HB LYS 63 -2.647 1.542 8.541 539 HB3 LYS 63 3HB LYS 63 -3.260 0.567 9.873 540 HG2 LYS 63 2HG LYS 63 -4.570 3.099 8.833 541 HG3 LYS 63 3HG LYS 63 -5.054 1.455 8.408 542 HD2 LYS 63 2HD LYS 63 -5.499 1.040 10.877 543 HD3 LYS 63 3HD LYS 63 -5.202 2.758 11.159 544 HE2 LYS 63 2HE LYS 63 -7.620 2.237 10.992 545 HE3 LYS 63 3HE LYS 63 -7.106 3.342 9.714 546 HZ1 LYS 63 3HZ LYS 63 -8.571 1.536 8.947 547 HZ2 LYS 63 1HZ LYS 63 -7.385 0.408 9.373 548 HZ3 LYS 63 2HZ LYS 63 -7.071 1.549 8.162 549 H VAL 64 H VAL 64 -0.213 2.648 9.192 550 HA VAL 64 HA VAL 64 1.226 0.553 10.731 551 HB VAL 64 HB VAL 64 1.649 1.542 7.872 552 HG11 VAL 64 1HG1 VAL 64 3.246 -0.301 7.595 553 HG12 VAL 64 2HG1 VAL 64 3.049 -0.744 9.289 554 HG13 VAL 64 3HG1 VAL 64 3.776 0.805 8.866 555 HG21 VAL 64 3HG2 VAL 64 -0.424 0.258 8.089 556 HG22 VAL 64 1HG2 VAL 64 0.453 -1.065 8.868 557 HG23 VAL 64 2HG2 VAL 64 0.778 -0.661 7.182 558 HA PRO 65 HA PRO 65 3.943 4.144 11.780 559 HB2 PRO 65 2HB PRO 65 4.747 3.290 14.215 560 HB3 PRO 65 3HB PRO 65 3.109 3.947 13.978 561 HG2 PRO 65 2HG PRO 65 3.971 1.069 14.125 562 HG3 PRO 65 3HG PRO 65 2.593 1.866 14.919 563 HD2 PRO 65 2HD PRO 65 2.365 0.427 12.576 564 HD3 PRO 65 3HD PRO 65 1.263 1.749 13.022 565 H ASN 66 H ASN 66 4.474 0.948 10.891 566 HA ASN 66 HA ASN 66 7.446 1.126 11.028 567 HB2 ASN 66 2HB ASN 66 5.595 -1.295 10.713 568 HB3 ASN 66 3HB ASN 66 7.352 -1.374 10.677 569 HD21 ASN 66 1HD2 ASN 66 4.572 -0.810 12.712 570 HD22 ASN 66 2HD2 ASN 66 5.390 -1.031 14.212 571 H ALA 67 H ALA 67 5.685 2.467 9.036 572 HA ALA 67 HA ALA 67 5.866 0.893 6.589 573 HB1 ALA 67 3HB ALA 67 3.809 2.141 7.147 574 HB2 ALA 67 1HB ALA 67 4.492 2.632 5.601 575 HB3 ALA 67 2HB ALA 67 4.694 3.659 7.020 576 H ARG 68 H ARG 68 7.854 0.908 5.614 577 HA ARG 68 HA ARG 68 9.164 3.484 5.009 578 HB2 ARG 68 2HB ARG 68 10.566 1.455 5.592 579 HB3 ARG 68 3HB ARG 68 9.931 0.637 4.171 580 HG2 ARG 68 2HG ARG 68 12.129 1.471 3.653 581 HG3 ARG 68 3HG ARG 68 10.956 2.426 2.742 582 HD2 ARG 68 2HD ARG 68 12.755 3.809 3.732 583 HD3 ARG 68 3HD ARG 68 11.165 4.268 4.347 584 HE ARG 68 HE ARG 68 12.090 2.456 6.173 585 HH11 ARG 68 1HH1 ARG 68 13.432 5.473 4.942 586 HH12 ARG 68 2HH1 ARG 68 14.287 5.817 6.413 587 HH21 ARG 68 1HH2 ARG 68 13.166 2.947 8.086 588 HH22 ARG 68 2HH2 ARG 68 14.136 4.385 8.194 589 H VAL 69 H VAL 69 7.955 4.538 3.470 590 HA VAL 69 HA VAL 69 6.723 2.989 1.250 591 HB VAL 69 HB VAL 69 5.590 5.459 2.667 592 HG11 VAL 69 1HG1 VAL 69 3.582 5.129 1.265 593 HG12 VAL 69 2HG1 VAL 69 4.389 3.808 0.419 594 HG13 VAL 69 3HG1 VAL 69 5.007 5.453 0.272 595 HG21 VAL 69 3HG2 VAL 69 5.394 3.416 4.044 596 HG22 VAL 69 1HG2 VAL 69 4.602 2.585 2.704 597 HG23 VAL 69 2HG2 VAL 69 3.810 3.958 3.482 598 H ARG 70 H ARG 70 7.139 3.691 -0.753 599 HA ARG 70 HA ARG 70 7.937 6.475 -1.219 600 HB2 ARG 70 2HB ARG 70 10.046 5.276 -1.326 601 HB3 ARG 70 3HB ARG 70 9.347 4.007 -2.323 602 HG2 ARG 70 2HG ARG 70 10.863 5.641 -3.535 603 HG3 ARG 70 3HG ARG 70 9.271 5.412 -4.249 604 HD2 ARG 70 2HD ARG 70 10.034 7.789 -4.249 605 HD3 ARG 70 3HD ARG 70 8.506 7.544 -3.402 606 HE ARG 70 HE ARG 70 11.072 7.751 -1.944 607 HH11 ARG 70 1HH1 ARG 70 7.779 8.917 -2.455 608 HH12 ARG 70 2HH1 ARG 70 7.815 9.976 -1.083 609 HH21 ARG 70 1HH2 ARG 70 11.100 9.180 -0.170 610 HH22 ARG 70 2HH2 ARG 70 9.694 10.126 0.208 611 H GLU 71 H GLU 71 6.288 7.227 -2.273 612 HA GLU 71 HA GLU 71 4.634 5.708 -4.086 613 HB2 GLU 71 2HB GLU 71 4.544 8.742 -3.758 614 HB3 GLU 71 3HB GLU 71 3.262 7.665 -4.292 615 HG2 GLU 71 2HG GLU 71 2.560 8.225 -2.144 616 HG3 GLU 71 3HG GLU 71 3.378 6.689 -1.870 617 H THR 72 H THR 72 5.605 5.203 -5.952 618 HA THR 72 HA THR 72 7.285 7.126 -7.418 619 HB THR 72 HB THR 72 7.799 5.084 -8.854 620 HG1 THR 72 HG1 THR 72 5.695 4.073 -7.701 621 HG21 THR 72 3HG2 THR 72 9.212 3.922 -7.184 622 HG22 THR 72 1HG2 THR 72 8.337 4.721 -5.876 623 HG23 THR 72 2HG2 THR 72 9.321 5.672 -6.992 624 H GLU 73 H GLU 73 6.142 8.402 -8.744 625 HA GLU 73 HA GLU 73 3.531 7.605 -9.784 626 HB2 GLU 73 2HB GLU 73 3.943 9.868 -8.758 627 HB3 GLU 73 3HB GLU 73 5.036 10.239 -10.086 628 HG2 GLU 73 2HG GLU 73 3.103 9.954 -11.681 629 HG3 GLU 73 3HG GLU 73 2.043 9.735 -10.282 630 H THR 74 H THR 74 3.789 6.211 -11.414 631 HA THR 74 HA THR 74 5.953 6.299 -13.325 632 HB THR 74 HB THR 74 4.740 4.269 -14.274 633 HG1 THR 74 HG1 THR 74 2.724 5.222 -12.870 634 HG21 THR 74 3HG2 THR 74 5.341 4.173 -11.288 635 HG22 THR 74 1HG2 THR 74 6.529 3.977 -12.583 636 HG23 THR 74 2HG2 THR 74 5.257 2.775 -12.362 637 H GLY 75 H GLY 75 5.791 8.018 -14.631 638 HA2 GLY 75 2HA GLY 75 4.161 7.877 -16.947 639 HA3 GLY 75 3HA GLY 75 3.587 9.178 -15.897 640 H SER 76 H SER 76 4.856 11.010 -15.603 641 HA SER 76 HA SER 76 7.184 11.421 -17.300 642 HB2 SER 76 2HB SER 76 7.140 13.726 -16.185 643 HB3 SER 76 3HB SER 76 5.698 13.311 -17.108 644 HG SER 76 HG SER 76 5.906 12.906 -14.311 645 H LEU 77 H LEU 77 8.651 9.898 -16.437 646 HA LEU 77 HA LEU 77 10.100 10.832 -14.055 647 HB2 LEU 77 2HB LEU 77 10.242 8.711 -12.978 648 HB3 LEU 77 3HB LEU 77 8.547 8.975 -13.314 649 HG LEU 77 HG LEU 77 10.350 7.104 -14.925 650 HD11 LEU 77 1HD1 LEU 77 9.209 5.246 -13.793 651 HD12 LEU 77 2HD1 LEU 77 8.318 6.386 -12.783 652 HD13 LEU 77 3HD1 LEU 77 10.073 6.263 -12.639 653 HD21 LEU 77 3HD2 LEU 77 8.442 7.940 -16.248 654 HD22 LEU 77 1HD2 LEU 77 7.324 7.376 -15.005 655 HD23 LEU 77 2HD2 LEU 77 8.298 6.216 -15.916 656 H GLU 78 H GLU 78 10.432 10.862 -16.994 657 HA GLU 78 HA GLU 78 12.594 9.119 -17.730 658 HB2 GLU 78 2HB GLU 78 12.722 10.468 -19.789 659 HB3 GLU 78 3HB GLU 78 11.052 10.051 -19.429 660 HG2 GLU 78 2HG GLU 78 10.732 12.346 -18.458 661 HG3 GLU 78 3HG GLU 78 12.378 12.736 -18.956 662 H HIS 79 H HIS 79 14.796 9.766 -18.156 663 HA HIS 79 HA HIS 79 15.847 11.686 -16.172 664 HB2 HIS 79 2HB HIS 79 17.307 9.536 -17.796 665 HB3 HIS 79 3HB HIS 79 18.018 10.519 -16.520 666 HD1 HIS 79 HD1 HIS 79 17.912 9.556 -14.204 667 HD2 HIS 79 HD2 HIS 79 15.190 7.735 -16.759 668 HE1 HIS 79 HE1 HIS 79 16.950 7.632 -12.919 669 HE2 HIS 79 HE2 HIS 79 15.463 6.442 -14.552 670 H HIS 80 H HIS 80 16.385 13.615 -16.813 671 HA HIS 80 HA HIS 80 16.489 15.468 -18.002 672 HB2 HIS 80 2HB HIS 80 18.516 15.903 -19.175 673 HB3 HIS 80 3HB HIS 80 18.894 14.768 -17.891 674 HD1 HIS 80 HD1 HIS 80 18.821 15.136 -21.611 675 HD2 HIS 80 HD2 HIS 80 19.849 12.228 -18.828 676 HE1 HIS 80 HE1 HIS 80 20.108 13.409 -22.891 677 HE2 HIS 80 HE2 HIS 80 20.578 11.594 -21.210 678 H HIS 81 H HIS 81 14.547 15.665 -18.972 679 HA HIS 81 HA HIS 81 13.681 14.473 -21.376 680 HB2 HIS 81 2HB HIS 81 12.082 15.503 -19.839 681 HB3 HIS 81 3HB HIS 81 12.840 17.080 -20.031 682 HD1 HIS 81 HD1 HIS 81 10.603 14.636 -21.822 683 HD2 HIS 81 HD2 HIS 81 12.017 18.512 -22.303 684 HE1 HIS 81 HE1 HIS 81 9.233 15.636 -23.661 685 HE2 HIS 81 HE2 HIS 81 10.026 18.010 -23.852 686 H HIS 82 H HIS 82 14.139 14.899 -23.446 687 HA HIS 82 HA HIS 82 16.204 16.775 -24.149 688 HB2 HIS 82 2HB HIS 82 14.514 14.884 -25.842 689 HB3 HIS 82 3HB HIS 82 15.792 15.902 -26.499 690 HD1 HIS 82 HD1 HIS 82 18.015 14.818 -26.636 691 HD2 HIS 82 HD2 HIS 82 15.612 13.008 -23.772 692 HE1 HIS 82 HE1 HIS 82 19.313 12.838 -25.817 693 HE2 HIS 82 HE2 HIS 82 17.721 11.618 -24.304 694 H HIS 83 H HIS 83 15.336 18.783 -23.658 695 HA HIS 83 HA HIS 83 13.070 19.916 -25.019 696 HB2 HIS 83 2HB HIS 83 14.004 20.843 -22.863 697 HB3 HIS 83 3HB HIS 83 15.454 21.343 -23.729 698 HD1 HIS 83 HD1 HIS 83 11.821 22.200 -23.262 699 HD2 HIS 83 HD2 HIS 83 15.157 23.730 -25.198 700 HE1 HIS 83 HE1 HIS 83 11.185 24.510 -23.996 701 HE2 HIS 83 HE2 HIS 83 13.277 25.465 -25.000 702 H HIS 84 H HIS 84 16.436 19.383 -25.738 703 HA HIS 84 HA HIS 84 15.954 20.248 -28.526 704 HB2 HIS 84 2HB HIS 84 18.537 20.540 -26.923 705 HB3 HIS 84 3HB HIS 84 18.461 20.689 -28.676 706 HD1 HIS 84 HD1 HIS 84 17.242 22.777 -29.636 707 HD2 HIS 84 HD2 HIS 84 17.618 22.765 -25.499 708 HE1 HIS 84 HE1 HIS 84 16.694 25.113 -28.901 709 HE2 HIS 84 HE2 HIS 84 17.086 25.115 -26.419 Start of MODEL 2 1 H1 MET 1 1H MET 1 -0.354 12.607 -12.282 2 H2 MET 1 2H MET 1 -0.932 14.144 -12.677 3 H3 MET 1 3H MET 1 0.465 13.549 -13.417 4 HA MET 1 HA MET 1 -2.257 12.429 -13.715 5 HB2 MET 1 2HB MET 1 -1.817 14.685 -14.808 6 HB3 MET 1 3HB MET 1 -0.558 13.923 -15.768 7 HG2 MET 1 2HG MET 1 -3.475 13.107 -15.830 8 HG3 MET 1 3HG MET 1 -2.739 14.243 -16.955 9 HE1 MET 1 3HE MET 1 -0.984 13.545 -18.844 10 HE2 MET 1 1HE MET 1 -0.303 11.925 -18.984 11 HE3 MET 1 2HE MET 1 0.101 12.931 -17.594 12 H GLY 2 H GLY 2 -2.304 10.394 -14.514 13 HA2 GLY 2 2HA GLY 2 -1.163 8.873 -16.237 14 HA3 GLY 2 3HA GLY 2 0.249 9.046 -15.197 15 H GLN 3 H GLN 3 0.297 6.823 -14.702 16 HA GLN 3 HA GLN 3 -1.881 5.775 -13.003 17 HB2 GLN 3 2HB GLN 3 -1.135 4.276 -14.786 18 HB3 GLN 3 3HB GLN 3 0.544 4.429 -14.278 19 HG2 GLN 3 2HG GLN 3 0.037 3.249 -12.182 20 HG3 GLN 3 3HG GLN 3 -1.661 3.116 -12.644 21 HE21 GLN 3 1HE2 GLN 3 0.373 1.028 -12.088 22 HE22 GLN 3 2HE2 GLN 3 0.379 0.013 -13.485 23 H TRP 4 H TRP 4 -1.651 5.606 -10.864 24 HA TRP 4 HA TRP 4 0.852 6.559 -9.612 25 HB2 TRP 4 2HB TRP 4 -2.030 6.478 -8.603 26 HB3 TRP 4 3HB TRP 4 -0.655 6.973 -7.613 27 HD1 TRP 4 HD1 TRP 4 0.575 9.280 -8.298 28 HE1 TRP 4 HE1 TRP 4 -0.249 11.343 -9.563 29 HE3 TRP 4 HE3 TRP 4 -3.592 7.279 -10.463 30 HZ2 TRP 4 HZ2 TRP 4 -2.376 12.047 -11.257 31 HZ3 TRP 4 HZ3 TRP 4 -4.973 8.725 -11.901 32 HH2 TRP 4 HH2 TRP 4 -4.378 11.063 -12.289 33 H GLN 5 H GLN 5 1.945 5.331 -8.198 34 HA GLN 5 HA GLN 5 0.927 2.687 -7.365 35 HB2 GLN 5 2HB GLN 5 2.281 2.261 -9.357 36 HB3 GLN 5 3HB GLN 5 3.591 3.262 -8.746 37 HG2 GLN 5 2HG GLN 5 4.020 1.620 -6.958 38 HG3 GLN 5 3HG GLN 5 2.698 0.615 -7.547 39 HE21 GLN 5 1HE2 GLN 5 5.957 1.757 -8.234 40 HE22 GLN 5 2HE2 GLN 5 6.312 0.589 -9.453 41 H ILE 6 H ILE 6 1.406 2.227 -5.268 42 HA ILE 6 HA ILE 6 3.296 3.935 -3.732 43 HB ILE 6 HB ILE 6 0.950 2.237 -2.692 44 HG12 ILE 6 2HG1 ILE 6 1.103 5.278 -2.961 45 HG13 ILE 6 3HG1 ILE 6 0.180 4.214 -4.017 46 HG21 ILE 6 1HG2 ILE 6 1.301 3.411 -0.528 47 HG22 ILE 6 2HG2 ILE 6 2.719 4.220 -1.198 48 HG23 ILE 6 3HG2 ILE 6 2.717 2.464 -1.001 49 HD11 ILE 6 3HD1 ILE 6 -1.245 5.296 -2.404 50 HD12 ILE 6 1HD1 ILE 6 -0.307 4.626 -1.071 51 HD13 ILE 6 2HD1 ILE 6 -1.228 3.554 -2.133 52 H LYS 7 H LYS 7 4.936 2.845 -2.562 53 HA LYS 7 HA LYS 7 4.982 -0.123 -2.663 54 HB2 LYS 7 2HB LYS 7 7.324 1.808 -2.976 55 HB3 LYS 7 3HB LYS 7 7.510 0.075 -2.711 56 HG2 LYS 7 2HG LYS 7 6.201 -0.320 -4.838 57 HG3 LYS 7 3HG LYS 7 6.244 1.424 -5.123 58 HD2 LYS 7 2HD LYS 7 8.677 1.398 -5.263 59 HD3 LYS 7 3HD LYS 7 8.725 -0.297 -4.775 60 HE2 LYS 7 2HE LYS 7 7.480 -0.880 -6.874 61 HE3 LYS 7 3HE LYS 7 7.622 0.809 -7.376 62 HZ1 LYS 7 3HZ LYS 7 10.019 0.599 -7.334 63 HZ2 LYS 7 1HZ LYS 7 9.358 -0.601 -8.321 64 HZ3 LYS 7 2HZ LYS 7 9.908 -0.991 -6.773 65 H ILE 8 H ILE 8 4.517 -0.783 -0.691 66 HA ILE 8 HA ILE 8 5.374 0.680 1.727 67 HB ILE 8 HB ILE 8 3.422 -1.660 1.404 68 HG12 ILE 8 2HG1 ILE 8 2.795 1.296 1.879 69 HG13 ILE 8 3HG1 ILE 8 2.625 0.464 0.337 70 HG21 ILE 8 1HG2 ILE 8 4.416 -1.658 3.651 71 HG22 ILE 8 2HG2 ILE 8 2.721 -1.183 3.740 72 HG23 ILE 8 3HG2 ILE 8 3.985 0.042 3.868 73 HD11 ILE 8 3HD1 ILE 8 0.494 0.727 1.451 74 HD12 ILE 8 1HD1 ILE 8 1.082 -0.172 2.848 75 HD13 ILE 8 2HD1 ILE 8 0.909 -0.978 1.286 76 H TYR 9 H TYR 9 7.401 0.031 2.339 77 HA TYR 9 HA TYR 9 8.140 -2.837 2.307 78 HB2 TYR 9 2HB TYR 9 9.933 -0.429 2.872 79 HB3 TYR 9 3HB TYR 9 10.444 -2.084 2.564 80 HD1 TYR 9 HD2 TYR 9 10.187 -3.023 0.210 81 HD2 TYR 9 HD1 TYR 9 9.601 1.127 1.072 82 HE1 TYR 9 HE2 TYR 9 10.502 -2.479 -2.161 83 HE2 TYR 9 HE1 TYR 9 9.924 1.665 -1.305 84 HH TYR 9 HH TYR 9 10.953 0.724 -3.271 85 H SER 10 H SER 10 7.365 -3.726 4.225 86 HA SER 10 HA SER 10 8.452 -2.606 6.718 87 HB2 SER 10 2HB SER 10 6.215 -3.194 7.872 88 HB3 SER 10 3HB SER 10 6.247 -1.743 6.878 89 HG SER 10 HG SER 10 4.954 -4.166 6.450 90 H GLU 11 H GLU 11 8.984 -4.129 8.284 91 HA GLU 11 HA GLU 11 9.275 -6.861 7.210 92 HB2 GLU 11 2HB GLU 11 11.299 -5.407 7.813 93 HB3 GLU 11 3HB GLU 11 10.841 -5.598 9.502 94 HG2 GLU 11 2HG GLU 11 11.268 -7.956 9.448 95 HG3 GLU 11 3HG GLU 11 11.387 -7.974 7.690 96 H ASN 12 H ASN 12 6.867 -6.712 7.926 97 HA ASN 12 HA ASN 12 6.514 -8.650 9.965 98 HB2 ASN 12 2HB ASN 12 6.636 -6.734 11.507 99 HB3 ASN 12 3HB ASN 12 5.462 -5.845 10.554 100 HD21 ASN 12 1HD2 ASN 12 4.156 -5.591 12.421 101 HD22 ASN 12 2HD2 ASN 12 3.224 -6.895 13.063 102 H GLU 13 H GLU 13 4.755 -9.817 9.416 103 HA GLU 13 HA GLU 13 3.377 -9.442 6.998 104 HB2 GLU 13 2HB GLU 13 3.690 -11.667 7.960 105 HB3 GLU 13 3HB GLU 13 2.750 -11.238 9.386 106 HG2 GLU 13 2HG GLU 13 0.716 -11.088 8.043 107 HG3 GLU 13 3HG GLU 13 1.630 -11.392 6.569 108 H ARG 14 H ARG 14 2.489 -8.656 10.332 109 HA ARG 14 HA ARG 14 -0.265 -8.326 10.097 110 HB2 ARG 14 2HB ARG 14 1.665 -7.964 12.155 111 HB3 ARG 14 3HB ARG 14 0.882 -6.401 12.025 112 HG2 ARG 14 2HG ARG 14 -0.221 -7.715 13.723 113 HG3 ARG 14 3HG ARG 14 -1.333 -7.504 12.367 114 HD2 ARG 14 2HD ARG 14 -1.330 -9.819 13.326 115 HD3 ARG 14 3HD ARG 14 -0.915 -9.771 11.606 116 HE ARG 14 HE ARG 14 1.185 -9.882 13.693 117 HH11 ARG 14 1HH1 ARG 14 -0.292 -11.295 10.829 118 HH12 ARG 14 2HH1 ARG 14 1.000 -12.428 10.580 119 HH21 ARG 14 1HH2 ARG 14 2.903 -11.349 13.328 120 HH22 ARG 14 2HH2 ARG 14 2.800 -12.465 11.994 121 H GLU 15 H GLU 15 2.306 -6.083 9.307 122 HA GLU 15 HA GLU 15 0.843 -3.687 9.252 123 HB2 GLU 15 2HB GLU 15 3.216 -4.228 7.439 124 HB3 GLU 15 3HB GLU 15 2.732 -2.698 8.157 125 HG2 GLU 15 2HG GLU 15 3.948 -5.070 9.597 126 HG3 GLU 15 3HG GLU 15 4.756 -3.562 9.201 127 H PHE 16 H PHE 16 1.550 -6.079 6.788 128 HA PHE 16 HA PHE 16 0.261 -4.716 4.614 129 HB2 PHE 16 2HB PHE 16 1.147 -7.623 4.863 130 HB3 PHE 16 3HB PHE 16 0.692 -6.812 3.369 131 HD1 PHE 16 HD1 PHE 16 2.120 -4.911 2.504 132 HD2 PHE 16 HD2 PHE 16 3.362 -7.374 5.765 133 HE1 PHE 16 HE1 PHE 16 4.437 -4.143 2.204 134 HE2 PHE 16 HE2 PHE 16 5.675 -6.607 5.459 135 HZ PHE 16 HZ PHE 16 6.213 -4.984 3.684 136 H ARG 17 H ARG 17 -0.640 -7.270 6.905 137 HA ARG 17 HA ARG 17 -2.960 -8.284 5.739 138 HB2 ARG 17 2HB ARG 17 -2.409 -7.892 8.707 139 HB3 ARG 17 3HB ARG 17 -3.690 -8.902 8.055 140 HG2 ARG 17 2HG ARG 17 -0.718 -9.359 7.725 141 HG3 ARG 17 3HG ARG 17 -1.782 -10.215 8.831 142 HD2 ARG 17 2HD ARG 17 -1.501 -11.703 7.042 143 HD3 ARG 17 3HD ARG 17 -3.069 -10.964 6.714 144 HE ARG 17 HE ARG 17 -0.611 -9.955 5.403 145 HH11 ARG 17 1HH1 ARG 17 -3.819 -11.386 5.091 146 HH12 ARG 17 2HH1 ARG 17 -3.854 -11.193 3.366 147 HH21 ARG 17 1HH2 ARG 17 -0.670 -9.778 3.129 148 HH22 ARG 17 2HH2 ARG 17 -2.086 -10.290 2.270 149 H GLU 18 H GLU 18 -2.482 -5.372 7.650 150 HA GLU 18 HA GLU 18 -5.155 -4.542 7.954 151 HB2 GLU 18 2HB GLU 18 -2.569 -2.937 7.771 152 HB3 GLU 18 3HB GLU 18 -4.117 -2.232 8.228 153 HG2 GLU 18 2HG GLU 18 -2.682 -4.443 9.732 154 HG3 GLU 18 3HG GLU 18 -2.687 -2.738 10.182 155 H LEU 19 H LEU 19 -2.715 -3.483 5.541 156 HA LEU 19 HA LEU 19 -4.499 -1.767 4.154 157 HB2 LEU 19 2HB LEU 19 -1.707 -2.742 3.529 158 HB3 LEU 19 3HB LEU 19 -2.594 -1.775 2.366 159 HG LEU 19 HG LEU 19 -1.109 -0.325 3.585 160 HD11 LEU 19 1HD1 LEU 19 -3.260 0.662 2.970 161 HD12 LEU 19 2HD1 LEU 19 -2.646 1.376 4.456 162 HD13 LEU 19 3HD1 LEU 19 -3.953 0.190 4.527 163 HD21 LEU 19 3HD2 LEU 19 -0.741 -1.635 5.614 164 HD22 LEU 19 1HD2 LEU 19 -2.376 -1.277 6.181 165 HD23 LEU 19 2HD2 LEU 19 -1.187 0.018 6.018 166 H ILE 20 H ILE 20 -3.544 -5.111 3.548 167 HA ILE 20 HA ILE 20 -4.414 -5.423 0.896 168 HB ILE 20 HB ILE 20 -4.351 -7.476 3.166 169 HG12 ILE 20 2HG1 ILE 20 -2.125 -6.563 2.566 170 HG13 ILE 20 3HG1 ILE 20 -2.243 -8.267 2.171 171 HG21 ILE 20 1HG2 ILE 20 -4.745 -8.032 0.202 172 HG22 ILE 20 2HG2 ILE 20 -5.918 -8.305 1.491 173 HG23 ILE 20 3HG2 ILE 20 -4.436 -9.256 1.435 174 HD11 ILE 20 3HD1 ILE 20 -1.024 -7.046 0.481 175 HD12 ILE 20 1HD1 ILE 20 -2.401 -5.979 0.213 176 HD13 ILE 20 2HD1 ILE 20 -2.518 -7.693 -0.194 177 H GLU 21 H GLU 21 -6.154 -6.058 3.960 178 HA GLU 21 HA GLU 21 -8.677 -6.603 2.675 179 HB2 GLU 21 2HB GLU 21 -8.057 -6.140 5.614 180 HB3 GLU 21 3HB GLU 21 -9.559 -6.797 4.973 181 HG2 GLU 21 2HG GLU 21 -8.284 -8.749 4.075 182 HG3 GLU 21 3HG GLU 21 -6.822 -8.105 4.818 183 H ARG 22 H ARG 22 -7.112 -3.717 3.895 184 HA ARG 22 HA ARG 22 -9.391 -2.019 4.056 185 HB2 ARG 22 2HB ARG 22 -6.467 -1.410 3.491 186 HB3 ARG 22 3HB ARG 22 -7.682 -0.142 3.526 187 HG2 ARG 22 2HG ARG 22 -6.998 -1.948 5.862 188 HG3 ARG 22 3HG ARG 22 -6.372 -0.321 5.616 189 HD2 ARG 22 2HD ARG 22 -8.134 -0.099 7.177 190 HD3 ARG 22 3HD ARG 22 -8.791 0.482 5.646 191 HE ARG 22 HE ARG 22 -9.313 -2.299 6.512 192 HH11 ARG 22 1HH1 ARG 22 -10.600 0.911 5.769 193 HH12 ARG 22 2HH1 ARG 22 -12.250 0.364 5.798 194 HH21 ARG 22 1HH2 ARG 22 -11.488 -2.961 6.585 195 HH22 ARG 22 2HH2 ARG 22 -12.746 -1.806 6.255 196 H LEU 23 H LEU 23 -7.216 -2.905 1.387 197 HA LEU 23 HA LEU 23 -8.382 -1.147 -0.557 198 HB2 LEU 23 2HB LEU 23 -6.533 -3.535 -0.951 199 HB3 LEU 23 3HB LEU 23 -6.946 -2.360 -2.195 200 HG LEU 23 HG LEU 23 -5.405 -1.770 0.359 201 HD11 LEU 23 1HD1 LEU 23 -3.475 -1.392 -1.086 202 HD12 LEU 23 2HD1 LEU 23 -4.423 -1.856 -2.501 203 HD13 LEU 23 3HD1 LEU 23 -4.077 -3.041 -1.239 204 HD21 LEU 23 3HD2 LEU 23 -6.756 0.160 -0.252 205 HD22 LEU 23 1HD2 LEU 23 -6.117 0.118 -1.899 206 HD23 LEU 23 2HD2 LEU 23 -5.052 0.487 -0.543 207 H GLU 24 H GLU 24 -9.016 -4.416 0.467 208 HA GLU 24 HA GLU 24 -10.839 -5.205 -1.569 209 HB2 GLU 24 2HB GLU 24 -10.781 -5.953 1.395 210 HB3 GLU 24 3HB GLU 24 -11.735 -6.789 0.171 211 HG2 GLU 24 2HG GLU 24 -8.707 -6.605 0.188 212 HG3 GLU 24 3HG GLU 24 -9.637 -7.976 0.781 213 H GLU 25 H GLU 25 -11.226 -3.413 1.468 214 HA GLU 25 HA GLU 25 -14.043 -2.941 1.130 215 HB2 GLU 25 2HB GLU 25 -12.063 -1.696 3.072 216 HB3 GLU 25 3HB GLU 25 -13.810 -1.468 3.131 217 HG2 GLU 25 2HG GLU 25 -12.316 -4.081 3.514 218 HG3 GLU 25 3HG GLU 25 -13.129 -3.144 4.764 219 H GLU 26 H GLU 26 -11.170 -1.330 0.016 220 HA GLU 26 HA GLU 26 -12.470 1.153 -0.672 221 HB2 GLU 26 2HB GLU 26 -9.876 -0.057 -1.721 222 HB3 GLU 26 3HB GLU 26 -10.459 1.550 -2.121 223 HG2 GLU 26 2HG GLU 26 -9.577 0.568 0.598 224 HG3 GLU 26 3HG GLU 26 -8.710 1.686 -0.454 225 H ARG 27 H ARG 27 -14.337 0.509 -1.653 226 HA ARG 27 HA ARG 27 -14.486 -1.077 -4.018 227 HB2 ARG 27 2HB ARG 27 -16.382 0.406 -2.289 228 HB3 ARG 27 3HB ARG 27 -16.807 0.532 -3.988 229 HG2 ARG 27 2HG ARG 27 -17.972 -1.339 -2.902 230 HG3 ARG 27 3HG ARG 27 -16.913 -1.892 -4.199 231 HD2 ARG 27 2HD ARG 27 -16.588 -3.449 -2.459 232 HD3 ARG 27 3HD ARG 27 -15.182 -2.391 -2.350 233 HE ARG 27 HE ARG 27 -16.983 -1.289 -0.611 234 HH11 ARG 27 1HH1 ARG 27 -15.556 -4.495 -0.904 235 HH12 ARG 27 2HH1 ARG 27 -15.663 -4.828 0.793 236 HH21 ARG 27 1HH2 ARG 27 -17.063 -1.737 1.631 237 HH22 ARG 27 2HH2 ARG 27 -16.512 -3.272 2.227 238 HA PRO 28 HA PRO 28 -15.804 -1.055 -6.267 239 HB2 PRO 28 2HB PRO 28 -13.977 -0.939 -8.648 240 HB3 PRO 28 3HB PRO 28 -15.752 -1.029 -8.590 241 HG2 PRO 28 2HG PRO 28 -14.534 1.224 -9.306 242 HG3 PRO 28 3HG PRO 28 -16.001 1.268 -8.299 243 HD2 PRO 28 2HD PRO 28 -13.114 1.551 -7.440 244 HD3 PRO 28 3HD PRO 28 -14.527 2.528 -6.975 245 H SER 29 H SER 29 -12.297 -0.751 -6.995 246 HA SER 29 HA SER 29 -11.425 -2.816 -5.256 247 HB2 SER 29 2HB SER 29 -12.509 -4.293 -6.993 248 HB3 SER 29 3HB SER 29 -11.451 -3.586 -8.212 249 HG SER 29 HG SER 29 -10.497 -4.895 -5.881 250 H VAL 30 H VAL 30 -9.505 -1.912 -4.709 251 HA VAL 30 HA VAL 30 -7.942 -0.366 -6.637 252 HB VAL 30 HB VAL 30 -7.417 -0.965 -3.679 253 HG11 VAL 30 1HG1 VAL 30 -5.871 0.909 -5.527 254 HG12 VAL 30 2HG1 VAL 30 -5.282 -0.629 -4.892 255 HG13 VAL 30 3HG1 VAL 30 -5.610 0.708 -3.790 256 HG21 VAL 30 3HG2 VAL 30 -8.349 1.592 -5.052 257 HG22 VAL 30 1HG2 VAL 30 -8.010 1.409 -3.325 258 HG23 VAL 30 2HG2 VAL 30 -9.344 0.523 -4.062 259 H GLN 31 H GLN 31 -6.166 -1.081 -7.632 260 HA GLN 31 HA GLN 31 -5.558 -3.891 -7.740 261 HB2 GLN 31 2HB GLN 31 -4.108 -1.523 -9.021 262 HB3 GLN 31 3HB GLN 31 -3.944 -3.218 -9.485 263 HG2 GLN 31 2HG GLN 31 -6.233 -3.282 -10.304 264 HG3 GLN 31 3HG GLN 31 -6.548 -1.670 -9.662 265 HE21 GLN 31 1HE2 GLN 31 -7.171 -0.869 -11.676 266 HE22 GLN 31 2HE2 GLN 31 -6.041 -0.576 -12.951 267 H TYR 32 H TYR 32 -3.747 -4.933 -6.882 268 HA TYR 32 HA TYR 32 -1.541 -3.573 -5.687 269 HB2 TYR 32 2HB TYR 32 -1.919 -4.121 -3.336 270 HB3 TYR 32 3HB TYR 32 -3.253 -3.142 -3.926 271 HD1 TYR 32 HD1 TYR 32 -5.541 -4.108 -4.102 272 HD2 TYR 32 HD2 TYR 32 -2.288 -6.490 -2.698 273 HE1 TYR 32 HE1 TYR 32 -7.129 -5.781 -3.234 274 HE2 TYR 32 HE2 TYR 32 -3.869 -8.139 -1.839 275 HH TYR 32 HH TYR 32 -7.208 -8.082 -2.583 276 H THR 33 H THR 33 0.080 -5.030 -4.884 277 HA THR 33 HA THR 33 -0.309 -7.904 -5.011 278 HB THR 33 HB THR 33 1.739 -6.573 -6.866 279 HG1 THR 33 HG1 THR 33 -0.785 -7.785 -7.302 280 HG21 THR 33 3HG2 THR 33 2.198 -8.901 -7.656 281 HG22 THR 33 1HG2 THR 33 1.128 -9.528 -6.389 282 HG23 THR 33 2HG2 THR 33 2.623 -8.697 -5.961 283 H GLU 34 H GLU 34 0.505 -8.440 -3.094 284 HA GLU 34 HA GLU 34 2.826 -7.145 -1.891 285 HB2 GLU 34 2HB GLU 34 0.830 -7.807 -0.537 286 HB3 GLU 34 3HB GLU 34 1.087 -9.489 -0.983 287 HG2 GLU 34 2HG GLU 34 3.398 -9.245 0.157 288 HG3 GLU 34 3HG GLU 34 2.759 -7.751 0.849 289 H THR 35 H THR 35 4.871 -8.014 -1.991 290 HA THR 35 HA THR 35 5.352 -10.765 -2.936 291 HB THR 35 HB THR 35 6.554 -8.269 -4.255 292 HG1 THR 35 HG1 THR 35 4.463 -10.009 -4.948 293 HG21 THR 35 3HG2 THR 35 8.206 -10.110 -4.206 294 HG22 THR 35 1HG2 THR 35 7.619 -9.846 -5.849 295 HG23 THR 35 2HG2 THR 35 7.018 -11.211 -4.908 296 H THR 36 H THR 36 6.987 -11.674 -1.727 297 HA THR 36 HA THR 36 8.260 -10.116 0.346 298 HB THR 36 HB THR 36 8.657 -13.054 -0.394 299 HG1 THR 36 HG1 THR 36 6.473 -12.381 0.239 300 HG21 THR 36 3HG2 THR 36 9.480 -13.319 1.913 301 HG22 THR 36 1HG2 THR 36 9.302 -11.581 2.194 302 HG23 THR 36 2HG2 THR 36 10.488 -12.175 1.032 303 H ARG 37 H ARG 37 9.953 -8.874 -0.130 304 HA ARG 37 HA ARG 37 11.802 -9.579 -2.334 305 HB2 ARG 37 2HB ARG 37 10.484 -7.447 -2.564 306 HB3 ARG 37 3HB ARG 37 11.230 -6.847 -1.086 307 HG2 ARG 37 2HG ARG 37 12.330 -5.880 -3.024 308 HG3 ARG 37 3HG ARG 37 13.456 -6.941 -2.182 309 HD2 ARG 37 2HD ARG 37 13.608 -7.212 -4.620 310 HD3 ARG 37 3HD ARG 37 13.059 -8.705 -3.849 311 HE ARG 37 HE ARG 37 11.008 -6.889 -4.869 312 HH11 ARG 37 1HH1 ARG 37 12.878 -9.812 -5.480 313 HH12 ARG 37 2HH1 ARG 37 11.783 -10.399 -6.690 314 HH21 ARG 37 1HH2 ARG 37 9.581 -7.690 -6.449 315 HH22 ARG 37 2HH2 ARG 37 9.925 -9.201 -7.233 316 H ASN 38 H ASN 38 13.591 -10.490 -1.571 317 HA ASN 38 HA ASN 38 15.475 -11.018 -0.420 318 HB2 ASN 38 2HB ASN 38 15.412 -8.185 0.701 319 HB3 ASN 38 3HB ASN 38 16.821 -9.212 0.478 320 HD21 ASN 38 1HD2 ASN 38 16.027 -6.507 -0.542 321 HD22 ASN 38 2HD2 ASN 38 16.282 -6.587 -2.247 322 H GLY 39 H GLY 39 12.750 -11.199 0.914 323 HA2 GLY 39 2HA GLY 39 12.304 -12.457 2.908 324 HA3 GLY 39 3HA GLY 39 13.629 -11.630 3.715 325 H ARG 40 H ARG 40 12.612 -8.978 2.510 326 HA ARG 40 HA ARG 40 10.435 -8.508 4.473 327 HB2 ARG 40 2HB ARG 40 12.445 -7.114 4.808 328 HB3 ARG 40 3HB ARG 40 12.353 -6.529 3.153 329 HG2 ARG 40 2HG ARG 40 10.190 -5.413 3.685 330 HG3 ARG 40 3HG ARG 40 10.313 -5.991 5.346 331 HD2 ARG 40 2HD ARG 40 12.217 -4.063 3.969 332 HD3 ARG 40 3HD ARG 40 11.008 -3.651 5.189 333 HE ARG 40 HE ARG 40 12.600 -5.543 6.388 334 HH11 ARG 40 1HH1 ARG 40 13.253 -2.400 4.928 335 HH12 ARG 40 2HH1 ARG 40 14.619 -2.078 5.953 336 HH21 ARG 40 1HH2 ARG 40 14.392 -5.130 7.700 337 HH22 ARG 40 2HH2 ARG 40 15.270 -3.635 7.537 338 H ARG 41 H ARG 41 8.418 -8.266 3.650 339 HA ARG 41 HA ARG 41 7.914 -8.465 0.865 340 HB2 ARG 41 2HB ARG 41 5.924 -7.629 3.001 341 HB3 ARG 41 3HB ARG 41 5.545 -8.330 1.436 342 HG2 ARG 41 2HG ARG 41 6.406 -10.484 2.124 343 HG3 ARG 41 3HG ARG 41 7.043 -9.800 3.622 344 HD2 ARG 41 2HD ARG 41 4.681 -9.243 4.297 345 HD3 ARG 41 3HD ARG 41 4.122 -10.100 2.859 346 HE ARG 41 HE ARG 41 5.824 -11.641 4.647 347 HH11 ARG 41 1HH1 ARG 41 2.491 -10.781 3.838 348 HH12 ARG 41 2HH1 ARG 41 1.823 -12.166 4.647 349 HH21 ARG 41 1HH2 ARG 41 4.923 -13.421 5.729 350 HH22 ARG 41 2HH2 ARG 41 3.201 -13.660 5.723 351 H GLN 42 H GLN 42 6.978 -6.991 -0.534 352 HA GLN 42 HA GLN 42 6.787 -4.141 0.218 353 HB2 GLN 42 2HB GLN 42 7.321 -3.595 -2.162 354 HB3 GLN 42 3HB GLN 42 8.653 -4.414 -1.358 355 HG2 GLN 42 2HG GLN 42 8.168 -6.487 -2.519 356 HG3 GLN 42 3HG GLN 42 6.688 -5.813 -3.200 357 HE21 GLN 42 1HE2 GLN 42 6.847 -4.275 -4.882 358 HE22 GLN 42 2HE2 GLN 42 8.285 -4.130 -5.831 359 H LEU 43 H LEU 43 4.734 -3.351 -0.019 360 HA LEU 43 HA LEU 43 2.757 -4.970 -1.513 361 HB2 LEU 43 2HB LEU 43 2.544 -3.833 0.990 362 HB3 LEU 43 3HB LEU 43 1.851 -2.550 0.022 363 HG LEU 43 HG LEU 43 0.851 -5.422 0.236 364 HD11 LEU 43 1HD1 LEU 43 -1.151 -4.424 1.254 365 HD12 LEU 43 2HD1 LEU 43 -0.416 -2.824 1.155 366 HD13 LEU 43 3HD1 LEU 43 0.303 -4.066 2.184 367 HD21 LEU 43 3HD2 LEU 43 0.516 -4.681 -2.066 368 HD22 LEU 43 1HD2 LEU 43 -0.283 -3.210 -1.501 369 HD23 LEU 43 2HD2 LEU 43 -1.024 -4.785 -1.216 370 H THR 44 H THR 44 2.790 -4.412 -3.577 371 HA THR 44 HA THR 44 3.342 -1.689 -4.481 372 HB THR 44 HB THR 44 2.794 -4.235 -6.099 373 HG1 THR 44 HG1 THR 44 4.678 -4.756 -5.254 374 HG21 THR 44 3HG2 THR 44 2.496 -2.178 -7.418 375 HG22 THR 44 1HG2 THR 44 3.941 -3.047 -7.938 376 HG23 THR 44 2HG2 THR 44 4.092 -1.610 -6.923 377 H ILE 45 H ILE 45 1.543 -0.480 -4.117 378 HA ILE 45 HA ILE 45 -1.165 -1.458 -4.778 379 HB ILE 45 HB ILE 45 -0.252 1.090 -3.330 380 HG12 ILE 45 2HG1 ILE 45 -1.353 -1.535 -2.216 381 HG13 ILE 45 3HG1 ILE 45 0.282 -0.919 -2.020 382 HG21 ILE 45 1HG2 ILE 45 -3.082 -0.015 -3.600 383 HG22 ILE 45 2HG2 ILE 45 -2.448 1.407 -4.429 384 HG23 ILE 45 3HG2 ILE 45 -2.602 1.411 -2.675 385 HD11 ILE 45 3HD1 ILE 45 -0.975 -0.639 -0.006 386 HD12 ILE 45 1HD1 ILE 45 -2.224 0.272 -0.856 387 HD13 ILE 45 2HD1 ILE 45 -0.599 0.943 -0.688 388 H ARG 46 H ARG 46 -2.466 -0.275 -6.269 389 HA ARG 46 HA ARG 46 -1.276 1.835 -7.904 390 HB2 ARG 46 2HB ARG 46 -2.145 -0.882 -8.998 391 HB3 ARG 46 3HB ARG 46 -1.990 0.544 -10.021 392 HG2 ARG 46 2HG ARG 46 0.398 0.695 -9.507 393 HG3 ARG 46 3HG ARG 46 0.270 -0.663 -8.393 394 HD2 ARG 46 2HD ARG 46 -0.214 -2.189 -10.213 395 HD3 ARG 46 3HD ARG 46 -0.314 -0.848 -11.366 396 HE ARG 46 HE ARG 46 2.210 -1.085 -9.966 397 HH11 ARG 46 1HH1 ARG 46 0.446 -2.037 -12.863 398 HH12 ARG 46 2HH1 ARG 46 1.888 -2.357 -13.777 399 HH21 ARG 46 1HH2 ARG 46 4.079 -1.415 -11.189 400 HH22 ARG 46 2HH2 ARG 46 3.959 -2.001 -12.821 401 H SER 47 H SER 47 -2.743 3.324 -8.339 402 HA SER 47 HA SER 47 -5.622 2.684 -8.364 403 HB2 SER 47 2HB SER 47 -4.345 4.986 -6.830 404 HB3 SER 47 3HB SER 47 -6.080 4.709 -6.996 405 HG SER 47 HG SER 47 -4.939 2.472 -6.088 406 H ASN 48 H ASN 48 -6.913 4.227 -9.505 407 HA ASN 48 HA ASN 48 -5.451 5.370 -11.809 408 HB2 ASN 48 2HB ASN 48 -7.539 5.122 -13.058 409 HB3 ASN 48 3HB ASN 48 -7.208 3.609 -12.223 410 HD21 ASN 48 1HD2 ASN 48 -9.340 6.359 -12.427 411 HD22 ASN 48 2HD2 ASN 48 -10.556 5.742 -11.366 412 H ASP 49 H ASP 49 -6.659 6.489 -8.946 413 HA ASP 49 HA ASP 49 -7.155 9.188 -10.032 414 HB2 ASP 49 2HB ASP 49 -9.357 8.270 -9.495 415 HB3 ASP 49 3HB ASP 49 -8.804 7.774 -7.898 416 H LYS 50 H LYS 50 -6.364 10.874 -8.804 417 HA LYS 50 HA LYS 50 -4.049 10.351 -7.239 418 HB2 LYS 50 2HB LYS 50 -5.068 12.583 -8.659 419 HB3 LYS 50 3HB LYS 50 -5.060 13.141 -6.996 420 HG2 LYS 50 2HG LYS 50 -2.705 12.186 -8.649 421 HG3 LYS 50 3HG LYS 50 -2.996 13.806 -8.020 422 HD2 LYS 50 2HD LYS 50 -2.641 12.975 -5.711 423 HD3 LYS 50 3HD LYS 50 -2.404 11.341 -6.336 424 HE2 LYS 50 2HE LYS 50 -0.449 12.230 -7.678 425 HE3 LYS 50 3HE LYS 50 -0.623 13.752 -6.800 426 HZ1 LYS 50 3HZ LYS 50 -0.101 11.106 -5.541 427 HZ2 LYS 50 1HZ LYS 50 -0.171 12.598 -4.745 428 HZ3 LYS 50 2HZ LYS 50 1.068 12.283 -5.854 429 H ASN 51 H ASN 51 -7.315 11.488 -6.434 430 HA ASN 51 HA ASN 51 -6.821 12.094 -3.684 431 HB2 ASN 51 2HB ASN 51 -9.524 11.398 -4.931 432 HB3 ASN 51 3HB ASN 51 -9.239 12.340 -3.472 433 HD21 ASN 51 1HD2 ASN 51 -9.187 12.350 -6.951 434 HD22 ASN 51 2HD2 ASN 51 -9.043 14.064 -7.137 435 H GLU 52 H GLU 52 -8.004 9.300 -5.410 436 HA GLU 52 HA GLU 52 -8.725 7.567 -3.314 437 HB2 GLU 52 2HB GLU 52 -9.429 7.219 -5.605 438 HB3 GLU 52 3HB GLU 52 -7.767 7.101 -6.170 439 HG2 GLU 52 2HG GLU 52 -7.509 4.959 -5.029 440 HG3 GLU 52 3HG GLU 52 -9.136 5.100 -4.356 441 H VAL 53 H VAL 53 -5.699 7.740 -5.230 442 HA VAL 53 HA VAL 53 -4.318 5.725 -3.788 443 HB VAL 53 HB VAL 53 -3.814 6.592 -6.180 444 HG11 VAL 53 1HG1 VAL 53 -2.094 8.317 -6.448 445 HG12 VAL 53 2HG1 VAL 53 -2.104 8.618 -4.710 446 HG13 VAL 53 3HG1 VAL 53 -3.536 8.977 -5.674 447 HG21 VAL 53 3HG2 VAL 53 -2.481 4.841 -5.120 448 HG22 VAL 53 1HG2 VAL 53 -1.490 6.050 -4.302 449 HG23 VAL 53 2HG2 VAL 53 -1.437 5.908 -6.059 450 H ASP 54 H ASP 54 -4.716 9.142 -3.276 451 HA ASP 54 HA ASP 54 -2.499 9.546 -1.513 452 HB2 ASP 54 2HB ASP 54 -3.560 11.376 -2.852 453 HB3 ASP 54 3HB ASP 54 -5.002 11.262 -1.844 454 H ARG 55 H ARG 55 -5.957 8.866 -1.113 455 HA ARG 55 HA ARG 55 -6.088 9.083 1.706 456 HB2 ARG 55 2HB ARG 55 -8.110 9.005 0.191 457 HB3 ARG 55 3HB ARG 55 -7.820 7.283 -0.054 458 HG2 ARG 55 2HG ARG 55 -8.091 6.938 2.420 459 HG3 ARG 55 3HG ARG 55 -8.481 8.648 2.579 460 HD2 ARG 55 2HD ARG 55 -10.465 8.320 1.152 461 HD3 ARG 55 3HD ARG 55 -10.080 6.602 1.005 462 HE ARG 55 HE ARG 55 -10.957 8.002 3.460 463 HH11 ARG 55 1HH1 ARG 55 -10.405 4.942 1.796 464 HH12 ARG 55 2HH1 ARG 55 -11.221 4.013 3.009 465 HH21 ARG 55 1HH2 ARG 55 -12.055 6.763 5.017 466 HH22 ARG 55 2HH2 ARG 55 -12.156 5.037 4.826 467 H ILE 56 H ILE 56 -5.024 6.518 -0.413 468 HA ILE 56 HA ILE 56 -4.861 4.428 1.587 469 HB ILE 56 HB ILE 56 -3.585 4.603 -1.193 470 HG12 ILE 56 2HG1 ILE 56 -6.182 3.162 -0.450 471 HG13 ILE 56 3HG1 ILE 56 -6.147 4.789 -1.117 472 HG21 ILE 56 1HG2 ILE 56 -3.433 2.134 -1.069 473 HG22 ILE 56 2HG2 ILE 56 -4.061 2.171 0.579 474 HG23 ILE 56 3HG2 ILE 56 -2.497 2.904 0.215 475 HD11 ILE 56 3HD1 ILE 56 -5.118 2.309 -2.481 476 HD12 ILE 56 1HD1 ILE 56 -5.086 3.946 -3.142 477 HD13 ILE 56 2HD1 ILE 56 -6.629 3.152 -2.824 478 H LEU 57 H LEU 57 -2.619 6.628 -0.058 479 HA LEU 57 HA LEU 57 -0.159 5.779 0.879 480 HB2 LEU 57 2HB LEU 57 -0.573 7.449 -0.957 481 HB3 LEU 57 3HB LEU 57 -0.992 8.641 0.259 482 HG LEU 57 HG LEU 57 1.371 8.414 1.176 483 HD11 LEU 57 1HD1 LEU 57 1.863 6.823 -1.350 484 HD12 LEU 57 2HD1 LEU 57 1.921 6.214 0.308 485 HD13 LEU 57 3HD1 LEU 57 3.097 7.410 -0.228 486 HD21 LEU 57 3HD2 LEU 57 0.733 10.295 -0.278 487 HD22 LEU 57 1HD2 LEU 57 1.158 9.351 -1.706 488 HD23 LEU 57 2HD2 LEU 57 2.408 9.820 -0.548 489 H GLU 58 H GLU 58 -2.225 8.380 2.203 490 HA GLU 58 HA GLU 58 -0.698 8.907 4.520 491 HB2 GLU 58 2HB GLU 58 -2.724 10.070 5.370 492 HB3 GLU 58 3HB GLU 58 -2.365 10.500 3.698 493 HG2 GLU 58 2HG GLU 58 -4.114 8.931 2.917 494 HG3 GLU 58 3HG GLU 58 -4.466 8.502 4.584 495 H GLU 59 H GLU 59 -3.194 6.504 3.833 496 HA GLU 59 HA GLU 59 -4.034 6.052 6.503 497 HB2 GLU 59 2HB GLU 59 -5.411 5.560 4.483 498 HB3 GLU 59 3HB GLU 59 -4.368 4.188 4.120 499 HG2 GLU 59 2HG GLU 59 -5.068 3.054 6.156 500 HG3 GLU 59 3HG GLU 59 -5.963 4.478 6.690 501 H VAL 60 H VAL 60 -1.749 4.301 4.398 502 HA VAL 60 HA VAL 60 -1.051 2.320 6.323 503 HB VAL 60 HB VAL 60 -0.548 1.877 4.005 504 HG11 VAL 60 1HG1 VAL 60 1.132 3.071 2.684 505 HG12 VAL 60 2HG1 VAL 60 1.370 4.221 4.003 506 HG13 VAL 60 3HG1 VAL 60 -0.184 4.142 3.169 507 HG21 VAL 60 3HG2 VAL 60 0.946 0.813 5.642 508 HG22 VAL 60 1HG2 VAL 60 2.065 2.172 5.534 509 HG23 VAL 60 2HG2 VAL 60 1.799 1.132 4.134 510 H ARG 61 H ARG 61 0.166 5.560 5.656 511 HA ARG 61 HA ARG 61 2.383 5.550 7.463 512 HB2 ARG 61 2HB ARG 61 0.782 7.814 6.200 513 HB3 ARG 61 3HB ARG 61 2.246 8.073 7.141 514 HG2 ARG 61 2HG ARG 61 3.616 6.978 5.518 515 HG3 ARG 61 3HG ARG 61 2.216 6.304 4.678 516 HD2 ARG 61 2HD ARG 61 3.244 8.192 3.443 517 HD3 ARG 61 3HD ARG 61 1.567 8.518 3.881 518 HE ARG 61 HE ARG 61 3.652 9.549 5.654 519 HH11 ARG 61 1HH1 ARG 61 1.319 10.306 3.105 520 HH12 ARG 61 2HH1 ARG 61 1.397 12.015 3.389 521 HH21 ARG 61 1HH2 ARG 61 3.746 11.776 5.990 522 HH22 ARG 61 2HH2 ARG 61 2.776 12.852 5.034 523 H ARG 62 H ARG 62 -1.045 5.950 7.917 524 HA ARG 62 HA ARG 62 -0.832 7.002 10.650 525 HB2 ARG 62 2HB ARG 62 -3.260 6.175 8.984 526 HB3 ARG 62 3HB ARG 62 -3.359 6.839 10.610 527 HG2 ARG 62 2HG ARG 62 -2.272 8.288 8.178 528 HG3 ARG 62 3HG ARG 62 -3.870 8.509 8.886 529 HD2 ARG 62 2HD ARG 62 -2.739 9.239 11.012 530 HD3 ARG 62 3HD ARG 62 -1.198 9.181 10.146 531 HE ARG 62 HE ARG 62 -3.135 10.775 8.789 532 HH11 ARG 62 1HH1 ARG 62 -0.809 10.879 11.428 533 HH12 ARG 62 2HH1 ARG 62 -0.635 12.606 11.349 534 HH21 ARG 62 1HH2 ARG 62 -2.924 13.022 8.724 535 HH22 ARG 62 2HH2 ARG 62 -1.831 13.819 9.815 536 H LYS 63 H LYS 63 -1.501 3.991 8.950 537 HA LYS 63 HA LYS 63 -2.859 2.690 11.130 538 HB2 LYS 63 2HB LYS 63 -3.370 2.244 8.699 539 HB3 LYS 63 3HB LYS 63 -1.780 1.519 8.510 540 HG2 LYS 63 2HG LYS 63 -3.355 -0.266 8.721 541 HG3 LYS 63 3HG LYS 63 -2.438 -0.210 10.225 542 HD2 LYS 63 2HD LYS 63 -4.747 -0.564 10.807 543 HD3 LYS 63 3HD LYS 63 -4.353 1.101 11.245 544 HE2 LYS 63 2HE LYS 63 -5.396 1.870 9.108 545 HE3 LYS 63 3HE LYS 63 -5.850 0.201 8.753 546 HZ1 LYS 63 3HZ LYS 63 -7.249 0.169 10.670 547 HZ2 LYS 63 1HZ LYS 63 -7.651 1.537 9.760 548 HZ3 LYS 63 2HZ LYS 63 -6.725 1.691 11.167 549 H VAL 64 H VAL 64 0.347 2.527 9.625 550 HA VAL 64 HA VAL 64 1.367 0.841 11.798 551 HB VAL 64 HB VAL 64 2.557 -0.626 10.055 552 HG11 VAL 64 1HG1 VAL 64 0.551 -2.084 9.694 553 HG12 VAL 64 2HG1 VAL 64 -0.478 -0.781 10.281 554 HG13 VAL 64 3HG1 VAL 64 0.710 -1.524 11.355 555 HG21 VAL 64 3HG2 VAL 64 2.212 0.776 8.048 556 HG22 VAL 64 1HG2 VAL 64 0.467 0.547 8.166 557 HG23 VAL 64 2HG2 VAL 64 1.520 -0.829 7.812 558 HA PRO 65 HA PRO 65 4.457 4.119 11.220 559 HB2 PRO 65 2HB PRO 65 5.619 3.999 13.646 560 HB3 PRO 65 3HB PRO 65 3.928 4.525 13.481 561 HG2 PRO 65 2HG PRO 65 4.988 1.833 14.285 562 HG3 PRO 65 3HG PRO 65 3.673 2.782 15.015 563 HD2 PRO 65 2HD PRO 65 3.266 0.729 13.202 564 HD3 PRO 65 3HD PRO 65 2.122 2.063 13.460 565 H ASN 66 H ASN 66 4.982 0.875 11.042 566 HA ASN 66 HA ASN 66 7.925 0.922 11.100 567 HB2 ASN 66 2HB ASN 66 5.970 -1.393 10.699 568 HB3 ASN 66 3HB ASN 66 7.716 -1.554 10.827 569 HD21 ASN 66 1HD2 ASN 66 4.763 -0.938 12.579 570 HD22 ASN 66 2HD2 ASN 66 5.434 -1.113 14.164 571 H ALA 67 H ALA 67 5.375 1.316 8.925 572 HA ALA 67 HA ALA 67 6.482 -0.031 6.630 573 HB1 ALA 67 3HB ALA 67 4.111 1.850 6.884 574 HB2 ALA 67 1HB ALA 67 4.062 0.088 6.979 575 HB3 ALA 67 2HB ALA 67 4.510 0.876 5.467 576 H ARG 68 H ARG 68 8.311 0.838 5.795 577 HA ARG 68 HA ARG 68 8.751 3.649 5.297 578 HB2 ARG 68 2HB ARG 68 10.637 2.047 5.546 579 HB3 ARG 68 3HB ARG 68 10.076 1.138 4.149 580 HG2 ARG 68 2HG ARG 68 11.960 2.466 3.466 581 HG3 ARG 68 3HG ARG 68 10.515 3.149 2.721 582 HD2 ARG 68 2HD ARG 68 10.455 4.916 4.436 583 HD3 ARG 68 3HD ARG 68 11.895 4.234 5.206 584 HE ARG 68 HE ARG 68 11.854 5.325 2.446 585 HH11 ARG 68 1HH1 ARG 68 13.483 5.008 5.551 586 HH12 ARG 68 2HH1 ARG 68 14.859 5.937 5.047 587 HH21 ARG 68 1HH2 ARG 68 13.676 6.536 1.821 588 HH22 ARG 68 2HH2 ARG 68 14.966 6.795 2.952 589 H VAL 69 H VAL 69 7.362 4.647 3.914 590 HA VAL 69 HA VAL 69 6.134 3.119 1.680 591 HB VAL 69 HB VAL 69 4.976 5.494 3.237 592 HG11 VAL 69 1HG1 VAL 69 2.870 4.976 2.057 593 HG12 VAL 69 2HG1 VAL 69 3.693 3.722 1.126 594 HG13 VAL 69 3HG1 VAL 69 4.157 5.413 0.932 595 HG21 VAL 69 3HG2 VAL 69 3.413 3.865 4.244 596 HG22 VAL 69 1HG2 VAL 69 5.086 3.480 4.647 597 HG23 VAL 69 2HG2 VAL 69 4.239 2.541 3.417 598 H ARG 70 H ARG 70 6.862 3.732 -0.254 599 HA ARG 70 HA ARG 70 7.631 6.550 -0.756 600 HB2 ARG 70 2HB ARG 70 9.592 4.902 -0.490 601 HB3 ARG 70 3HB ARG 70 9.054 4.133 -1.974 602 HG2 ARG 70 2HG ARG 70 9.609 7.095 -1.994 603 HG3 ARG 70 3HG ARG 70 10.973 5.984 -1.965 604 HD2 ARG 70 2HD ARG 70 8.785 5.884 -4.068 605 HD3 ARG 70 3HD ARG 70 10.292 6.789 -4.252 606 HE ARG 70 HE ARG 70 10.505 3.933 -3.624 607 HH11 ARG 70 1HH1 ARG 70 10.736 6.431 -6.103 608 HH12 ARG 70 2HH1 ARG 70 11.638 5.429 -7.197 609 HH21 ARG 70 1HH2 ARG 70 11.665 2.630 -5.073 610 HH22 ARG 70 2HH2 ARG 70 12.167 3.261 -6.611 611 H GLU 71 H GLU 71 6.318 7.418 -2.223 612 HA GLU 71 HA GLU 71 4.603 5.812 -3.927 613 HB2 GLU 71 2HB GLU 71 3.680 7.829 -2.860 614 HB3 GLU 71 3HB GLU 71 4.915 8.833 -3.616 615 HG2 GLU 71 2HG GLU 71 3.943 8.153 -5.878 616 HG3 GLU 71 3HG GLU 71 2.624 7.390 -4.994 617 H THR 72 H THR 72 4.938 5.384 -5.986 618 HA THR 72 HA THR 72 6.926 6.832 -7.640 619 HB THR 72 HB THR 72 7.006 4.620 -8.958 620 HG1 THR 72 HG1 THR 72 4.987 4.012 -7.424 621 HG21 THR 72 3HG2 THR 72 8.834 5.156 -7.378 622 HG22 THR 72 1HG2 THR 72 8.483 3.427 -7.377 623 HG23 THR 72 2HG2 THR 72 7.908 4.444 -6.055 624 H GLU 73 H GLU 73 5.763 8.144 -9.000 625 HA GLU 73 HA GLU 73 3.055 7.358 -9.899 626 HB2 GLU 73 2HB GLU 73 4.484 10.035 -10.251 627 HB3 GLU 73 3HB GLU 73 2.778 9.694 -10.556 628 HG2 GLU 73 2HG GLU 73 2.391 9.290 -8.181 629 HG3 GLU 73 3HG GLU 73 4.110 9.489 -7.846 630 H THR 74 H THR 74 3.322 5.963 -11.573 631 HA THR 74 HA THR 74 5.465 6.220 -13.493 632 HB THR 74 HB THR 74 4.446 4.150 -14.516 633 HG1 THR 74 HG1 THR 74 2.266 4.799 -13.450 634 HG21 THR 74 3HG2 THR 74 4.971 4.021 -11.519 635 HG22 THR 74 1HG2 THR 74 6.194 3.937 -12.791 636 HG23 THR 74 2HG2 THR 74 5.006 2.644 -12.621 637 H GLY 75 H GLY 75 5.212 7.982 -14.713 638 HA2 GLY 75 2HA GLY 75 3.642 8.104 -16.994 639 HA3 GLY 75 3HA GLY 75 2.739 8.971 -15.756 640 H SER 76 H SER 76 6.252 9.032 -15.705 641 HA SER 76 HA SER 76 6.194 11.923 -16.185 642 HB2 SER 76 2HB SER 76 8.524 11.859 -15.231 643 HB3 SER 76 3HB SER 76 7.317 11.214 -14.122 644 HG SER 76 HG SER 76 9.036 9.674 -15.789 645 H LEU 77 H LEU 77 6.556 12.571 -18.201 646 HA LEU 77 HA LEU 77 8.681 11.355 -19.857 647 HB2 LEU 77 2HB LEU 77 7.065 11.698 -21.874 648 HB3 LEU 77 3HB LEU 77 6.848 10.293 -20.855 649 HG LEU 77 HG LEU 77 4.933 11.482 -19.694 650 HD11 LEU 77 1HD1 LEU 77 3.857 13.405 -20.794 651 HD12 LEU 77 2HD1 LEU 77 5.228 13.547 -21.893 652 HD13 LEU 77 3HD1 LEU 77 5.453 13.810 -20.162 653 HD21 LEU 77 3HD2 LEU 77 4.618 11.058 -22.687 654 HD22 LEU 77 1HD2 LEU 77 3.299 11.112 -21.511 655 HD23 LEU 77 2HD2 LEU 77 4.494 9.820 -21.435 656 H GLU 78 H GLU 78 8.817 13.609 -18.267 657 HA GLU 78 HA GLU 78 7.938 16.021 -19.477 658 HB2 GLU 78 2HB GLU 78 10.011 15.739 -17.263 659 HB3 GLU 78 3HB GLU 78 8.985 17.132 -17.598 660 HG2 GLU 78 2HG GLU 78 8.119 14.437 -16.509 661 HG3 GLU 78 3HG GLU 78 8.135 15.975 -15.647 662 H HIS 79 H HIS 79 9.481 17.913 -19.767 663 HA HIS 79 HA HIS 79 12.053 17.381 -20.954 664 HB2 HIS 79 2HB HIS 79 11.450 18.132 -23.255 665 HB3 HIS 79 3HB HIS 79 10.621 16.642 -22.822 666 HD1 HIS 79 HD1 HIS 79 9.989 19.828 -24.333 667 HD2 HIS 79 HD2 HIS 79 7.812 17.253 -21.901 668 HE1 HIS 79 HE1 HIS 79 7.582 20.481 -24.636 669 HE2 HIS 79 HE2 HIS 79 6.288 18.911 -23.167 670 H HIS 80 H HIS 80 13.288 19.206 -21.078 671 HA HIS 80 HA HIS 80 12.164 21.867 -20.721 672 HB2 HIS 80 2HB HIS 80 13.460 22.307 -18.603 673 HB3 HIS 80 3HB HIS 80 12.164 21.137 -18.396 674 HD1 HIS 80 HD1 HIS 80 15.952 21.286 -18.624 675 HD2 HIS 80 HD2 HIS 80 12.938 18.679 -17.457 676 HE1 HIS 80 HE1 HIS 80 17.118 19.358 -17.511 677 HE2 HIS 80 HE2 HIS 80 15.284 17.777 -16.856 678 H HIS 81 H HIS 81 13.567 23.480 -21.347 679 HA HIS 81 HA HIS 81 16.392 23.208 -21.653 680 HB2 HIS 81 2HB HIS 81 16.516 23.332 -24.136 681 HB3 HIS 81 3HB HIS 81 15.743 21.837 -23.623 682 HD1 HIS 81 HD1 HIS 81 15.223 24.790 -25.739 683 HD2 HIS 81 HD2 HIS 81 12.856 21.825 -24.030 684 HE1 HIS 81 HE1 HIS 81 13.019 24.921 -26.920 685 HE2 HIS 81 HE2 HIS 81 11.558 23.240 -25.767 686 H HIS 82 H HIS 82 17.267 25.255 -21.645 687 HA HIS 82 HA HIS 82 15.479 27.572 -22.184 688 HB2 HIS 82 2HB HIS 82 15.977 27.344 -19.770 689 HB3 HIS 82 3HB HIS 82 17.705 27.347 -20.099 690 HD1 HIS 82 HD1 HIS 82 14.686 29.650 -20.264 691 HD2 HIS 82 HD2 HIS 82 18.839 29.871 -20.224 692 HE1 HIS 82 HE1 HIS 82 15.235 32.090 -20.038 693 HE2 HIS 82 HE2 HIS 82 17.749 32.201 -20.002 694 H HIS 83 H HIS 83 16.143 28.827 -23.806 695 HA HIS 83 HA HIS 83 18.583 28.421 -25.226 696 HB2 HIS 83 2HB HIS 83 16.473 29.138 -26.330 697 HB3 HIS 83 3HB HIS 83 16.515 30.657 -25.445 698 HD1 HIS 83 HD1 HIS 83 17.654 32.559 -26.617 699 HD2 HIS 83 HD2 HIS 83 18.709 28.888 -28.250 700 HE1 HIS 83 HE1 HIS 83 18.933 33.091 -28.704 701 HE2 HIS 83 HE2 HIS 83 19.725 30.872 -29.558 702 H HIS 84 H HIS 84 20.242 28.739 -23.785 703 HA HIS 84 HA HIS 84 20.663 31.084 -22.197 704 HB2 HIS 84 2HB HIS 84 21.620 28.873 -21.591 705 HB3 HIS 84 3HB HIS 84 22.602 28.874 -23.048 706 HD1 HIS 84 HD1 HIS 84 22.644 29.876 -19.536 707 HD2 HIS 84 HD2 HIS 84 24.739 30.924 -22.968 708 HE1 HIS 84 HE1 HIS 84 24.736 30.995 -18.730 709 HE2 HIS 84 HE2 HIS 84 25.849 31.830 -20.816 Start of MODEL 3 1 H1 MET 1 1H MET 1 4.250 13.387 -15.726 2 H2 MET 1 2H MET 1 3.388 13.097 -14.307 3 H3 MET 1 3H MET 1 3.113 14.513 -15.187 4 HA MET 1 HA MET 1 1.330 12.966 -15.545 5 HB2 MET 1 2HB MET 1 3.171 13.258 -17.961 6 HB3 MET 1 3HB MET 1 1.479 12.784 -18.063 7 HG2 MET 1 2HG MET 1 0.807 14.966 -17.155 8 HG3 MET 1 3HG MET 1 2.507 15.435 -17.024 9 HE1 MET 1 3HE MET 1 1.971 17.664 -18.481 10 HE2 MET 1 1HE MET 1 0.282 17.172 -18.629 11 HE3 MET 1 2HE MET 1 1.204 17.606 -20.066 12 H GLY 2 H GLY 2 0.688 10.891 -15.529 13 HA2 GLY 2 2HA GLY 2 1.317 8.634 -16.700 14 HA3 GLY 2 3HA GLY 2 2.664 8.723 -15.570 15 H GLN 3 H GLN 3 1.822 6.710 -14.692 16 HA GLN 3 HA GLN 3 -0.629 6.915 -13.045 17 HB2 GLN 3 2HB GLN 3 -0.447 4.961 -14.553 18 HB3 GLN 3 3HB GLN 3 1.084 4.512 -13.814 19 HG2 GLN 3 2HG GLN 3 -0.115 4.086 -11.670 20 HG3 GLN 3 3HG GLN 3 -1.639 4.463 -12.477 21 HE21 GLN 3 1HE2 GLN 3 0.985 2.149 -12.234 22 HE22 GLN 3 2HE2 GLN 3 0.196 0.866 -13.085 23 H TRP 4 H TRP 4 -0.498 7.049 -10.886 24 HA TRP 4 HA TRP 4 2.080 7.305 -9.569 25 HB2 TRP 4 2HB TRP 4 -0.774 7.702 -8.581 26 HB3 TRP 4 3HB TRP 4 0.662 8.009 -7.605 27 HD1 TRP 4 HD1 TRP 4 2.428 9.919 -8.802 28 HE1 TRP 4 HE1 TRP 4 1.782 12.162 -9.867 29 HE3 TRP 4 HE3 TRP 4 -2.486 8.943 -9.859 30 HZ2 TRP 4 HZ2 TRP 4 -0.490 13.376 -10.969 31 HZ3 TRP 4 HZ3 TRP 4 -3.821 10.717 -10.930 32 HH2 TRP 4 HH2 TRP 4 -2.845 12.885 -11.477 33 H GLN 5 H GLN 5 3.024 5.756 -8.462 34 HA GLN 5 HA GLN 5 1.586 3.251 -7.799 35 HB2 GLN 5 2HB GLN 5 2.971 2.807 -9.707 36 HB3 GLN 5 3HB GLN 5 4.311 3.739 -9.055 37 HG2 GLN 5 2HG GLN 5 4.674 2.009 -7.335 38 HG3 GLN 5 3HG GLN 5 3.347 1.064 -8.011 39 HE21 GLN 5 1HE2 GLN 5 6.568 2.323 -8.633 40 HE22 GLN 5 2HE2 GLN 5 6.974 1.201 -9.884 41 H ILE 6 H ILE 6 1.430 3.106 -5.617 42 HA ILE 6 HA ILE 6 3.555 4.176 -3.860 43 HB ILE 6 HB ILE 6 0.782 3.077 -3.149 44 HG12 ILE 6 2HG1 ILE 6 1.852 5.919 -3.285 45 HG13 ILE 6 3HG1 ILE 6 0.595 5.222 -4.295 46 HG21 ILE 6 1HG2 ILE 6 2.355 2.660 -1.307 47 HG22 ILE 6 2HG2 ILE 6 1.205 3.917 -0.851 48 HG23 ILE 6 3HG2 ILE 6 2.851 4.355 -1.316 49 HD11 ILE 6 3HD1 ILE 6 0.409 5.845 -1.352 50 HD12 ILE 6 1HD1 ILE 6 -0.840 5.024 -2.297 51 HD13 ILE 6 2HD1 ILE 6 -0.381 6.680 -2.690 52 H LYS 7 H LYS 7 5.205 2.744 -3.635 53 HA LYS 7 HA LYS 7 4.648 -0.110 -3.112 54 HB2 LYS 7 2HB LYS 7 7.254 1.364 -3.701 55 HB3 LYS 7 3HB LYS 7 7.182 -0.335 -3.246 56 HG2 LYS 7 2HG LYS 7 5.817 -0.800 -5.283 57 HG3 LYS 7 3HG LYS 7 5.973 0.900 -5.743 58 HD2 LYS 7 2HD LYS 7 8.408 0.674 -5.908 59 HD3 LYS 7 3HD LYS 7 8.329 -0.994 -5.343 60 HE2 LYS 7 2HE LYS 7 7.166 0.047 -7.946 61 HE3 LYS 7 3HE LYS 7 8.670 -0.858 -7.777 62 HZ1 LYS 7 3HZ LYS 7 7.320 -2.701 -6.845 63 HZ2 LYS 7 1HZ LYS 7 6.961 -2.349 -8.458 64 HZ3 LYS 7 2HZ LYS 7 5.923 -1.839 -7.231 65 H ILE 8 H ILE 8 4.617 -0.812 -1.093 66 HA ILE 8 HA ILE 8 5.617 0.865 1.142 67 HB ILE 8 HB ILE 8 3.452 -1.304 1.256 68 HG12 ILE 8 2HG1 ILE 8 2.978 1.714 1.201 69 HG13 ILE 8 3HG1 ILE 8 2.782 0.671 -0.202 70 HG21 ILE 8 1HG2 ILE 8 4.217 0.852 3.263 71 HG22 ILE 8 2HG2 ILE 8 4.572 -0.873 3.406 72 HG23 ILE 8 3HG2 ILE 8 2.900 -0.306 3.453 73 HD11 ILE 8 3HD1 ILE 8 0.659 1.177 0.831 74 HD12 ILE 8 1HD1 ILE 8 1.200 0.485 2.361 75 HD13 ILE 8 2HD1 ILE 8 1.005 -0.547 0.939 76 H TYR 9 H TYR 9 7.437 -0.015 2.133 77 HA TYR 9 HA TYR 9 8.092 -2.875 1.667 78 HB2 TYR 9 2HB TYR 9 9.956 -0.542 2.312 79 HB3 TYR 9 3HB TYR 9 10.460 -2.192 1.974 80 HD1 TYR 9 HD1 TYR 9 9.108 0.928 0.472 81 HD2 TYR 9 HD2 TYR 9 10.595 -3.006 -0.314 82 HE1 TYR 9 HE1 TYR 9 9.312 1.476 -1.910 83 HE2 TYR 9 HE2 TYR 9 10.786 -2.450 -2.695 84 HH TYR 9 HH TYR 9 10.409 0.781 -3.862 85 H SER 10 H SER 10 7.279 -3.920 3.525 86 HA SER 10 HA SER 10 9.058 -3.571 5.831 87 HB2 SER 10 2HB SER 10 6.952 -2.421 6.523 88 HB3 SER 10 3HB SER 10 6.038 -3.878 6.181 89 HG SER 10 HG SER 10 7.517 -3.222 8.365 90 H GLU 11 H GLU 11 9.104 -5.471 7.162 91 HA GLU 11 HA GLU 11 8.717 -8.010 5.701 92 HB2 GLU 11 2HB GLU 11 10.256 -8.994 7.400 93 HB3 GLU 11 3HB GLU 11 11.003 -7.700 6.486 94 HG2 GLU 11 2HG GLU 11 9.897 -7.376 9.287 95 HG3 GLU 11 3HG GLU 11 11.578 -7.760 8.934 96 H ASN 12 H ASN 12 7.412 -6.074 8.158 97 HA ASN 12 HA ASN 12 6.250 -8.131 9.816 98 HB2 ASN 12 2HB ASN 12 5.735 -5.137 9.652 99 HB3 ASN 12 3HB ASN 12 5.044 -6.197 10.872 100 HD21 ASN 12 1HD2 ASN 12 7.359 -7.768 11.406 101 HD22 ASN 12 2HD2 ASN 12 8.483 -6.741 12.219 102 H GLU 13 H GLU 13 4.818 -9.395 8.750 103 HA GLU 13 HA GLU 13 2.789 -8.663 6.943 104 HB2 GLU 13 2HB GLU 13 1.632 -10.842 8.003 105 HB3 GLU 13 3HB GLU 13 3.044 -10.968 6.974 106 HG2 GLU 13 2HG GLU 13 3.114 -12.471 8.948 107 HG3 GLU 13 3HG GLU 13 4.489 -11.374 8.853 108 H ARG 14 H ARG 14 3.006 -8.290 10.387 109 HA ARG 14 HA ARG 14 0.319 -7.950 11.121 110 HB2 ARG 14 2HB ARG 14 2.183 -8.209 12.743 111 HB3 ARG 14 3HB ARG 14 2.817 -6.633 12.286 112 HG2 ARG 14 2HG ARG 14 1.618 -6.526 14.422 113 HG3 ARG 14 3HG ARG 14 0.806 -5.536 13.202 114 HD2 ARG 14 2HD ARG 14 -0.798 -6.807 14.569 115 HD3 ARG 14 3HD ARG 14 -0.873 -7.302 12.874 116 HE ARG 14 HE ARG 14 0.919 -8.946 14.350 117 HH11 ARG 14 1HH1 ARG 14 -2.546 -8.502 13.864 118 HH12 ARG 14 2HH1 ARG 14 -2.927 -10.145 14.262 119 HH21 ARG 14 1HH2 ARG 14 0.411 -11.100 14.819 120 HH22 ARG 14 2HH2 ARG 14 -1.247 -11.618 14.801 121 H GLU 15 H GLU 15 2.655 -5.658 9.767 122 HA GLU 15 HA GLU 15 1.084 -3.314 10.079 123 HB2 GLU 15 2HB GLU 15 3.343 -3.921 8.122 124 HB3 GLU 15 3HB GLU 15 2.704 -2.320 8.472 125 HG2 GLU 15 2HG GLU 15 4.220 -4.141 10.347 126 HG3 GLU 15 3HG GLU 15 4.757 -2.602 9.691 127 H PHE 16 H PHE 16 1.636 -5.495 7.323 128 HA PHE 16 HA PHE 16 -0.178 -4.197 5.539 129 HB2 PHE 16 2HB PHE 16 1.175 -6.912 5.464 130 HB3 PHE 16 3HB PHE 16 0.180 -6.292 4.143 131 HD1 PHE 16 HD1 PHE 16 0.913 -4.287 2.859 132 HD2 PHE 16 HD2 PHE 16 3.422 -6.026 5.843 133 HE1 PHE 16 HE1 PHE 16 2.841 -3.064 1.962 134 HE2 PHE 16 HE2 PHE 16 5.342 -4.809 4.920 135 HZ PHE 16 HZ PHE 16 5.057 -3.307 3.002 136 H ARG 17 H ARG 17 -0.670 -6.484 8.062 137 HA ARG 17 HA ARG 17 -3.004 -7.811 7.346 138 HB2 ARG 17 2HB ARG 17 -1.566 -7.266 9.840 139 HB3 ARG 17 3HB ARG 17 -3.291 -7.152 10.138 140 HG2 ARG 17 2HG ARG 17 -1.887 -9.549 8.904 141 HG3 ARG 17 3HG ARG 17 -2.381 -9.414 10.595 142 HD2 ARG 17 2HD ARG 17 -4.739 -9.269 9.923 143 HD3 ARG 17 3HD ARG 17 -4.276 -9.297 8.220 144 HE ARG 17 HE ARG 17 -3.254 -11.611 9.375 145 HH11 ARG 17 1HH1 ARG 17 -6.433 -10.206 8.783 146 HH12 ARG 17 2HH1 ARG 17 -7.222 -11.746 8.648 147 HH21 ARG 17 1HH2 ARG 17 -4.316 -13.631 9.187 148 HH22 ARG 17 2HH2 ARG 17 -6.021 -13.682 8.882 149 H GLU 18 H GLU 18 -2.562 -4.509 8.478 150 HA GLU 18 HA GLU 18 -5.292 -3.732 8.527 151 HB2 GLU 18 2HB GLU 18 -2.627 -2.308 8.376 152 HB3 GLU 18 3HB GLU 18 -4.088 -1.379 8.066 153 HG2 GLU 18 2HG GLU 18 -3.582 -2.984 10.591 154 HG3 GLU 18 3HG GLU 18 -3.277 -1.254 10.430 155 H LEU 19 H LEU 19 -2.761 -3.202 6.009 156 HA LEU 19 HA LEU 19 -4.408 -1.697 4.313 157 HB2 LEU 19 2HB LEU 19 -1.774 -3.117 3.805 158 HB3 LEU 19 3HB LEU 19 -2.603 -2.259 2.517 159 HG LEU 19 HG LEU 19 -0.922 -0.791 3.403 160 HD11 LEU 19 1HD1 LEU 19 -2.229 1.177 4.069 161 HD12 LEU 19 2HD1 LEU 19 -3.635 0.170 4.398 162 HD13 LEU 19 3HD1 LEU 19 -3.019 0.316 2.750 163 HD21 LEU 19 3HD2 LEU 19 -0.801 -0.073 5.751 164 HD22 LEU 19 1HD2 LEU 19 -0.558 -1.812 5.599 165 HD23 LEU 19 2HD2 LEU 19 -2.104 -1.184 6.176 166 H ILE 20 H ILE 20 -3.553 -5.130 4.110 167 HA ILE 20 HA ILE 20 -4.752 -5.848 1.713 168 HB ILE 20 HB ILE 20 -4.462 -7.460 4.291 169 HG12 ILE 20 2HG1 ILE 20 -2.306 -6.714 3.316 170 HG13 ILE 20 3HG1 ILE 20 -2.464 -8.459 3.254 171 HG21 ILE 20 1HG2 ILE 20 -5.151 -8.556 1.540 172 HG22 ILE 20 2HG2 ILE 20 -6.205 -8.534 2.957 173 HG23 ILE 20 3HG2 ILE 20 -4.744 -9.523 2.959 174 HD11 ILE 20 3HD1 ILE 20 -2.993 -8.314 0.853 175 HD12 ILE 20 1HD1 ILE 20 -1.427 -7.607 1.251 176 HD13 ILE 20 2HD1 ILE 20 -2.807 -6.559 0.932 177 H GLU 21 H GLU 21 -6.190 -6.003 4.990 178 HA GLU 21 HA GLU 21 -8.766 -6.849 4.101 179 HB2 GLU 21 2HB GLU 21 -7.820 -5.815 6.802 180 HB3 GLU 21 3HB GLU 21 -9.419 -6.501 6.510 181 HG2 GLU 21 2HG GLU 21 -8.324 -8.630 5.771 182 HG3 GLU 21 3HG GLU 21 -6.762 -7.931 6.198 183 H ARG 22 H ARG 22 -7.357 -3.668 4.615 184 HA ARG 22 HA ARG 22 -9.814 -2.181 4.612 185 HB2 ARG 22 2HB ARG 22 -7.017 -1.271 3.788 186 HB3 ARG 22 3HB ARG 22 -8.391 -0.196 4.018 187 HG2 ARG 22 2HG ARG 22 -6.999 -1.838 6.150 188 HG3 ARG 22 3HG ARG 22 -6.893 -0.099 5.943 189 HD2 ARG 22 2HD ARG 22 -9.229 0.161 6.602 190 HD3 ARG 22 3HD ARG 22 -9.446 -1.591 6.661 191 HE ARG 22 HE ARG 22 -7.385 -1.045 8.426 192 HH11 ARG 22 1HH1 ARG 22 -10.760 -0.071 8.158 193 HH12 ARG 22 2HH1 ARG 22 -10.963 0.116 9.869 194 HH21 ARG 22 1HH2 ARG 22 -7.704 -0.856 10.678 195 HH22 ARG 22 2HH2 ARG 22 -9.242 -0.326 11.292 196 H LEU 23 H LEU 23 -7.609 -3.354 2.094 197 HA LEU 23 HA LEU 23 -8.953 -1.981 -0.081 198 HB2 LEU 23 2HB LEU 23 -6.715 -4.044 -0.152 199 HB3 LEU 23 3HB LEU 23 -7.283 -3.128 -1.540 200 HG LEU 23 HG LEU 23 -5.880 -1.986 0.911 201 HD11 LEU 23 1HD1 LEU 23 -4.891 -2.224 -1.945 202 HD12 LEU 23 2HD1 LEU 23 -4.348 -3.182 -0.566 203 HD13 LEU 23 3HD1 LEU 23 -4.035 -1.450 -0.607 204 HD21 LEU 23 3HD2 LEU 23 -5.889 0.184 -0.230 205 HD22 LEU 23 1HD2 LEU 23 -7.528 -0.375 0.109 206 HD23 LEU 23 2HD2 LEU 23 -6.879 -0.488 -1.528 207 H GLU 24 H GLU 24 -9.243 -5.098 1.441 208 HA GLU 24 HA GLU 24 -10.678 -6.454 -0.654 209 HB2 GLU 24 2HB GLU 24 -10.746 -6.976 2.357 210 HB3 GLU 24 3HB GLU 24 -11.391 -8.051 1.121 211 HG2 GLU 24 2HG GLU 24 -9.067 -8.282 0.196 212 HG3 GLU 24 3HG GLU 24 -8.483 -7.343 1.563 213 H GLU 25 H GLU 25 -11.491 -3.993 1.592 214 HA GLU 25 HA GLU 25 -14.406 -4.499 1.405 215 HB2 GLU 25 2HB GLU 25 -12.771 -3.053 3.542 216 HB3 GLU 25 3HB GLU 25 -14.529 -3.018 3.474 217 HG2 GLU 25 2HG GLU 25 -12.862 -5.528 3.798 218 HG3 GLU 25 3HG GLU 25 -13.646 -4.655 5.109 219 H GLU 26 H GLU 26 -11.812 -2.296 0.757 220 HA GLU 26 HA GLU 26 -13.210 0.019 0.064 221 HB2 GLU 26 2HB GLU 26 -10.766 -0.076 0.360 222 HB3 GLU 26 3HB GLU 26 -10.617 -1.177 -1.008 223 HG2 GLU 26 2HG GLU 26 -9.949 1.029 -1.660 224 HG3 GLU 26 3HG GLU 26 -11.425 0.576 -2.497 225 H ARG 27 H ARG 27 -14.890 -0.022 -1.321 226 HA ARG 27 HA ARG 27 -15.225 -2.301 -3.117 227 HB2 ARG 27 2HB ARG 27 -16.935 -1.337 -1.300 228 HB3 ARG 27 3HB ARG 27 -17.391 -0.244 -2.597 229 HG2 ARG 27 2HG ARG 27 -18.920 -2.104 -2.569 230 HG3 ARG 27 3HG ARG 27 -17.921 -2.232 -4.022 231 HD2 ARG 27 2HD ARG 27 -18.225 -4.420 -2.920 232 HD3 ARG 27 3HD ARG 27 -16.526 -3.936 -2.939 233 HE ARG 27 HE ARG 27 -18.018 -3.272 -0.519 234 HH11 ARG 27 1HH1 ARG 27 -15.885 -5.624 -2.040 235 HH12 ARG 27 2HH1 ARG 27 -15.373 -6.316 -0.540 236 HH21 ARG 27 1HH2 ARG 27 -17.309 -4.189 1.465 237 HH22 ARG 27 2HH2 ARG 27 -16.176 -5.505 1.446 238 HA PRO 28 HA PRO 28 -16.032 -3.056 -5.159 239 HB2 PRO 28 2HB PRO 28 -14.798 -3.687 -7.524 240 HB3 PRO 28 3HB PRO 28 -16.360 -2.848 -7.457 241 HG2 PRO 28 2HG PRO 28 -13.638 -1.714 -7.932 242 HG3 PRO 28 3HG PRO 28 -15.176 -1.312 -8.719 243 HD2 PRO 28 2HD PRO 28 -14.050 0.207 -6.710 244 HD3 PRO 28 3HD PRO 28 -15.795 0.167 -7.053 245 H SER 29 H SER 29 -12.715 -2.298 -6.360 246 HA SER 29 HA SER 29 -11.341 -3.160 -4.024 247 HB2 SER 29 2HB SER 29 -11.208 -5.008 -6.456 248 HB3 SER 29 3HB SER 29 -9.993 -5.018 -5.175 249 HG SER 29 HG SER 29 -12.151 -5.237 -3.860 250 H VAL 30 H VAL 30 -9.221 -2.448 -4.073 251 HA VAL 30 HA VAL 30 -8.291 -0.882 -6.369 252 HB VAL 30 HB VAL 30 -6.978 -1.393 -3.645 253 HG11 VAL 30 1HG1 VAL 30 -5.272 -0.872 -5.351 254 HG12 VAL 30 2HG1 VAL 30 -5.432 0.452 -4.198 255 HG13 VAL 30 3HG1 VAL 30 -6.151 0.592 -5.803 256 HG21 VAL 30 3HG2 VAL 30 -9.060 -0.101 -3.456 257 HG22 VAL 30 1HG2 VAL 30 -8.475 1.054 -4.659 258 HG23 VAL 30 2HG2 VAL 30 -7.665 0.917 -3.096 259 H GLN 31 H GLN 31 -6.644 -1.538 -7.722 260 HA GLN 31 HA GLN 31 -5.831 -4.332 -7.715 261 HB2 GLN 31 2HB GLN 31 -5.193 -2.049 -9.630 262 HB3 GLN 31 3HB GLN 31 -4.693 -3.721 -9.878 263 HG2 GLN 31 2HG GLN 31 -7.050 -4.423 -10.006 264 HG3 GLN 31 3HG GLN 31 -7.565 -2.761 -9.697 265 HE21 GLN 31 1HE2 GLN 31 -8.712 -2.695 -11.671 266 HE22 GLN 31 2HE2 GLN 31 -7.900 -2.563 -13.191 267 H TYR 32 H TYR 32 -4.239 -4.907 -6.402 268 HA TYR 32 HA TYR 32 -1.763 -3.313 -6.217 269 HB2 TYR 32 2HB TYR 32 -1.642 -3.722 -3.790 270 HB3 TYR 32 3HB TYR 32 -3.106 -2.841 -4.188 271 HD1 TYR 32 HD1 TYR 32 -5.339 -4.030 -4.091 272 HD2 TYR 32 HD2 TYR 32 -1.765 -5.918 -2.702 273 HE1 TYR 32 HE1 TYR 32 -6.687 -5.669 -2.854 274 HE2 TYR 32 HE2 TYR 32 -3.118 -7.561 -1.467 275 HH TYR 32 HH TYR 32 -6.516 -7.867 -1.908 276 H THR 33 H THR 33 0.068 -4.643 -5.361 277 HA THR 33 HA THR 33 -0.167 -7.560 -5.667 278 HB THR 33 HB THR 33 1.960 -5.910 -7.143 279 HG1 THR 33 HG1 THR 33 -0.533 -6.890 -7.913 280 HG21 THR 33 3HG2 THR 33 2.577 -8.052 -8.216 281 HG22 THR 33 1HG2 THR 33 1.396 -8.904 -7.220 282 HG23 THR 33 2HG2 THR 33 2.800 -8.140 -6.468 283 H GLU 34 H GLU 34 0.504 -8.218 -3.700 284 HA GLU 34 HA GLU 34 2.744 -6.898 -2.290 285 HB2 GLU 34 2HB GLU 34 0.612 -7.254 -1.048 286 HB3 GLU 34 3HB GLU 34 0.697 -8.981 -1.374 287 HG2 GLU 34 2HG GLU 34 2.829 -9.069 -0.033 288 HG3 GLU 34 3HG GLU 34 2.587 -7.367 0.363 289 H THR 35 H THR 35 4.699 -7.750 -2.725 290 HA THR 35 HA THR 35 5.010 -10.643 -3.317 291 HB THR 35 HB THR 35 6.662 -8.321 -4.451 292 HG1 THR 35 HG1 THR 35 4.449 -9.752 -5.449 293 HG21 THR 35 3HG2 THR 35 7.974 -10.416 -4.265 294 HG22 THR 35 1HG2 THR 35 7.641 -10.020 -5.952 295 HG23 THR 35 2HG2 THR 35 6.714 -11.286 -5.145 296 H THR 36 H THR 36 6.091 -11.620 -1.677 297 HA THR 36 HA THR 36 7.746 -10.206 0.212 298 HB THR 36 HB THR 36 7.415 -13.227 -0.153 299 HG1 THR 36 HG1 THR 36 5.528 -11.630 0.437 300 HG21 THR 36 3HG2 THR 36 8.347 -11.620 2.262 301 HG22 THR 36 1HG2 THR 36 9.391 -12.593 1.221 302 HG23 THR 36 2HG2 THR 36 8.146 -13.371 2.196 303 H ARG 37 H ARG 37 9.684 -9.520 -0.369 304 HA ARG 37 HA ARG 37 11.541 -11.164 -1.970 305 HB2 ARG 37 2HB ARG 37 10.361 -9.720 -3.565 306 HB3 ARG 37 3HB ARG 37 10.678 -8.296 -2.580 307 HG2 ARG 37 2HG ARG 37 13.086 -8.494 -3.057 308 HG3 ARG 37 3HG ARG 37 12.787 -9.945 -4.016 309 HD2 ARG 37 2HD ARG 37 11.494 -8.658 -5.641 310 HD3 ARG 37 3HD ARG 37 11.625 -7.204 -4.642 311 HE ARG 37 HE ARG 37 14.215 -7.910 -5.117 312 HH11 ARG 37 1HH1 ARG 37 11.475 -7.201 -7.237 313 HH12 ARG 37 2HH1 ARG 37 12.477 -6.597 -8.519 314 HH21 ARG 37 1HH2 ARG 37 15.498 -7.090 -6.780 315 HH22 ARG 37 2HH2 ARG 37 14.770 -6.536 -8.253 316 H ASN 38 H ASN 38 13.515 -11.175 -1.045 317 HA ASN 38 HA ASN 38 15.335 -10.721 0.235 318 HB2 ASN 38 2HB ASN 38 14.419 -7.838 -0.198 319 HB3 ASN 38 3HB ASN 38 15.908 -8.245 0.639 320 HD21 ASN 38 1HD2 ASN 38 14.670 -9.925 -2.225 321 HD22 ASN 38 2HD2 ASN 38 15.941 -9.428 -3.269 322 H GLY 39 H GLY 39 12.940 -11.480 1.487 323 HA2 GLY 39 2HA GLY 39 12.319 -11.987 3.648 324 HA3 GLY 39 3HA GLY 39 13.507 -10.844 4.247 325 H ARG 40 H ARG 40 11.831 -9.086 2.091 326 HA ARG 40 HA ARG 40 9.956 -8.021 4.120 327 HB2 ARG 40 2HB ARG 40 11.800 -6.590 2.159 328 HB3 ARG 40 3HB ARG 40 10.488 -5.765 3.001 329 HG2 ARG 40 2HG ARG 40 11.521 -5.990 5.109 330 HG3 ARG 40 3HG ARG 40 12.579 -7.290 4.559 331 HD2 ARG 40 2HD ARG 40 12.805 -4.452 3.515 332 HD3 ARG 40 3HD ARG 40 13.691 -5.033 4.933 333 HE ARG 40 HE ARG 40 14.413 -6.883 3.192 334 HH11 ARG 40 1HH1 ARG 40 14.204 -3.408 2.616 335 HH12 ARG 40 2HH1 ARG 40 15.471 -3.430 1.431 336 HH21 ARG 40 1HH2 ARG 40 16.117 -6.856 1.714 337 HH22 ARG 40 2HH2 ARG 40 16.555 -5.375 0.922 338 H ARG 41 H ARG 41 7.895 -8.198 3.464 339 HA ARG 41 HA ARG 41 7.157 -8.616 0.717 340 HB2 ARG 41 2HB ARG 41 4.798 -8.593 1.593 341 HB3 ARG 41 3HB ARG 41 5.841 -9.777 2.366 342 HG2 ARG 41 2HG ARG 41 5.986 -8.474 4.378 343 HG3 ARG 41 3HG ARG 41 5.222 -7.082 3.608 344 HD2 ARG 41 2HD ARG 41 3.617 -8.180 5.050 345 HD3 ARG 41 3HD ARG 41 3.125 -8.394 3.368 346 HE ARG 41 HE ARG 41 4.691 -10.567 4.448 347 HH11 ARG 41 1HH1 ARG 41 1.421 -9.329 4.039 348 HH12 ARG 41 2HH1 ARG 41 0.687 -10.889 4.219 349 HH21 ARG 41 1HH2 ARG 41 3.723 -12.591 4.679 350 HH22 ARG 41 2HH2 ARG 41 1.998 -12.743 4.585 351 H GLN 42 H GLN 42 7.239 -7.003 -0.642 352 HA GLN 42 HA GLN 42 6.609 -4.235 0.100 353 HB2 GLN 42 2HB GLN 42 7.598 -3.745 -2.221 354 HB3 GLN 42 3HB GLN 42 8.710 -4.345 -1.000 355 HG2 GLN 42 2HG GLN 42 8.655 -6.582 -2.011 356 HG3 GLN 42 3HG GLN 42 7.485 -6.030 -3.208 357 HE21 GLN 42 1HE2 GLN 42 8.195 -4.678 -4.896 358 HE22 GLN 42 2HE2 GLN 42 9.868 -4.515 -5.290 359 H LEU 43 H LEU 43 4.646 -3.461 -0.357 360 HA LEU 43 HA LEU 43 2.884 -4.907 -2.237 361 HB2 LEU 43 2HB LEU 43 2.325 -4.657 0.258 362 HB3 LEU 43 3HB LEU 43 2.042 -2.959 -0.048 363 HG LEU 43 HG LEU 43 0.480 -5.145 -1.486 364 HD11 LEU 43 1HD1 LEU 43 -0.308 -3.784 1.109 365 HD12 LEU 43 2HD1 LEU 43 0.135 -5.482 0.911 366 HD13 LEU 43 3HD1 LEU 43 -1.330 -4.864 0.152 367 HD21 LEU 43 3HD2 LEU 43 -0.164 -2.221 -1.007 368 HD22 LEU 43 1HD2 LEU 43 -1.219 -3.390 -1.807 369 HD23 LEU 43 2HD2 LEU 43 0.320 -2.949 -2.540 370 H THR 44 H THR 44 2.925 -3.992 -4.160 371 HA THR 44 HA THR 44 3.238 -1.150 -4.678 372 HB THR 44 HB THR 44 2.840 -3.562 -6.521 373 HG1 THR 44 HG1 THR 44 4.859 -3.276 -5.288 374 HG21 THR 44 3HG2 THR 44 3.515 -2.099 -8.393 375 HG22 THR 44 1HG2 THR 44 3.556 -0.707 -7.322 376 HG23 THR 44 2HG2 THR 44 2.018 -1.509 -7.663 377 H ILE 45 H ILE 45 1.592 0.206 -5.177 378 HA ILE 45 HA ILE 45 -1.169 -0.812 -5.582 379 HB ILE 45 HB ILE 45 -0.335 1.796 -4.197 380 HG12 ILE 45 2HG1 ILE 45 -1.552 -0.675 -2.881 381 HG13 ILE 45 3HG1 ILE 45 0.169 -0.308 -2.866 382 HG21 ILE 45 1HG2 ILE 45 -2.734 2.012 -3.611 383 HG22 ILE 45 2HG2 ILE 45 -3.095 0.557 -4.542 384 HG23 ILE 45 3HG2 ILE 45 -2.490 1.999 -5.360 385 HD11 ILE 45 3HD1 ILE 45 -0.900 0.318 -0.796 386 HD12 ILE 45 1HD1 ILE 45 -1.988 1.405 -1.658 387 HD13 ILE 45 2HD1 ILE 45 -0.252 1.728 -1.631 388 H ARG 46 H ARG 46 -2.041 -0.111 -7.498 389 HA ARG 46 HA ARG 46 -0.616 2.023 -9.004 390 HB2 ARG 46 2HB ARG 46 -2.285 -0.255 -10.159 391 HB3 ARG 46 3HB ARG 46 -1.311 0.903 -11.059 392 HG2 ARG 46 2HG ARG 46 0.739 -0.082 -10.064 393 HG3 ARG 46 3HG ARG 46 -0.261 -1.255 -9.200 394 HD2 ARG 46 2HD ARG 46 0.084 -0.986 -12.204 395 HD3 ARG 46 3HD ARG 46 0.604 -2.326 -11.176 396 HE ARG 46 HE ARG 46 -2.247 -1.859 -11.104 397 HH11 ARG 46 1HH1 ARG 46 0.306 -3.532 -12.880 398 HH12 ARG 46 2HH1 ARG 46 -0.784 -4.704 -13.551 399 HH21 ARG 46 1HH2 ARG 46 -3.654 -3.380 -12.038 400 HH22 ARG 46 2HH2 ARG 46 -3.021 -4.618 -13.076 401 H SER 47 H SER 47 -1.789 3.835 -9.325 402 HA SER 47 HA SER 47 -4.626 3.666 -9.963 403 HB2 SER 47 2HB SER 47 -4.642 3.958 -7.495 404 HB3 SER 47 3HB SER 47 -3.646 5.405 -7.652 405 HG SER 47 HG SER 47 -5.719 6.123 -7.533 406 H ASN 48 H ASN 48 -5.290 5.245 -11.299 407 HA ASN 48 HA ASN 48 -3.341 7.108 -12.446 408 HB2 ASN 48 2HB ASN 48 -5.021 7.428 -14.225 409 HB3 ASN 48 3HB ASN 48 -4.752 5.709 -13.962 410 HD21 ASN 48 1HD2 ASN 48 -7.070 8.316 -13.717 411 HD22 ASN 48 2HD2 ASN 48 -8.434 7.324 -13.329 412 H ASP 49 H ASP 49 -5.068 7.311 -9.768 413 HA ASP 49 HA ASP 49 -5.651 10.182 -9.995 414 HB2 ASP 49 2HB ASP 49 -7.793 9.054 -10.457 415 HB3 ASP 49 3HB ASP 49 -7.643 8.089 -8.990 416 H LYS 50 H LYS 50 -4.633 11.164 -8.374 417 HA LYS 50 HA LYS 50 -3.489 9.815 -6.167 418 HB2 LYS 50 2HB LYS 50 -3.735 12.757 -6.819 419 HB3 LYS 50 3HB LYS 50 -3.098 12.228 -5.267 420 HG2 LYS 50 2HG LYS 50 -1.394 10.847 -6.560 421 HG3 LYS 50 3HG LYS 50 -1.942 11.690 -8.008 422 HD2 LYS 50 2HD LYS 50 0.096 12.720 -7.086 423 HD3 LYS 50 3HD LYS 50 -1.263 13.846 -7.040 424 HE2 LYS 50 2HE LYS 50 0.182 13.824 -4.972 425 HE3 LYS 50 3HE LYS 50 -1.534 13.547 -4.672 426 HZ1 LYS 50 3HZ LYS 50 -1.161 11.285 -4.294 427 HZ2 LYS 50 1HZ LYS 50 0.103 12.046 -3.481 428 HZ3 LYS 50 2HZ LYS 50 0.381 11.311 -4.973 429 H ASN 51 H ASN 51 -6.577 11.569 -6.470 430 HA ASN 51 HA ASN 51 -7.043 11.909 -3.673 431 HB2 ASN 51 2HB ASN 51 -9.206 11.580 -5.811 432 HB3 ASN 51 3HB ASN 51 -9.400 12.316 -4.226 433 HD21 ASN 51 1HD2 ASN 51 -8.263 12.751 -7.452 434 HD22 ASN 51 2HD2 ASN 51 -7.942 14.446 -7.328 435 H GLU 52 H GLU 52 -7.294 9.164 -5.745 436 HA GLU 52 HA GLU 52 -8.802 7.517 -3.879 437 HB2 GLU 52 2HB GLU 52 -8.972 7.375 -6.436 438 HB3 GLU 52 3HB GLU 52 -7.369 6.651 -6.431 439 HG2 GLU 52 2HG GLU 52 -9.118 4.945 -6.596 440 HG3 GLU 52 3HG GLU 52 -8.206 4.765 -5.096 441 H VAL 53 H VAL 53 -5.460 7.719 -5.175 442 HA VAL 53 HA VAL 53 -4.559 5.371 -3.795 443 HB VAL 53 HB VAL 53 -3.653 6.540 -6.016 444 HG11 VAL 53 1HG1 VAL 53 -1.667 7.710 -4.049 445 HG12 VAL 53 2HG1 VAL 53 -2.870 8.631 -4.951 446 HG13 VAL 53 3HG1 VAL 53 -1.589 7.779 -5.814 447 HG21 VAL 53 3HG2 VAL 53 -2.946 4.340 -5.285 448 HG22 VAL 53 1HG2 VAL 53 -1.829 5.044 -4.115 449 HG23 VAL 53 2HG2 VAL 53 -1.549 5.261 -5.843 450 H ASP 54 H ASP 54 -4.601 8.770 -3.043 451 HA ASP 54 HA ASP 54 -2.715 8.736 -0.883 452 HB2 ASP 54 2HB ASP 54 -4.812 10.779 -1.700 453 HB3 ASP 54 3HB ASP 54 -3.758 11.014 -0.312 454 H ARG 55 H ARG 55 -6.126 8.115 -1.160 455 HA ARG 55 HA ARG 55 -6.970 8.211 1.510 456 HB2 ARG 55 2HB ARG 55 -8.488 7.824 -0.417 457 HB3 ARG 55 3HB ARG 55 -7.757 6.248 -0.693 458 HG2 ARG 55 2HG ARG 55 -9.888 5.925 0.390 459 HG3 ARG 55 3HG ARG 55 -8.620 5.503 1.542 460 HD2 ARG 55 2HD ARG 55 -8.968 7.488 2.810 461 HD3 ARG 55 3HD ARG 55 -9.902 8.255 1.521 462 HE ARG 55 HE ARG 55 -10.834 6.269 3.451 463 HH11 ARG 55 1HH1 ARG 55 -11.583 8.048 0.500 464 HH12 ARG 55 2HH1 ARG 55 -13.288 7.766 0.634 465 HH21 ARG 55 1HH2 ARG 55 -13.081 5.927 3.590 466 HH22 ARG 55 2HH2 ARG 55 -14.127 6.577 2.369 467 H ILE 56 H ILE 56 -5.169 5.815 -0.273 468 HA ILE 56 HA ILE 56 -5.015 3.856 1.857 469 HB ILE 56 HB ILE 56 -3.453 3.892 -0.766 470 HG12 ILE 56 2HG1 ILE 56 -6.206 2.615 -0.357 471 HG13 ILE 56 3HG1 ILE 56 -5.966 4.169 -1.151 472 HG21 ILE 56 1HG2 ILE 56 -3.456 1.426 -0.471 473 HG22 ILE 56 2HG2 ILE 56 -4.301 1.619 1.067 474 HG23 ILE 56 3HG2 ILE 56 -2.666 2.256 0.873 475 HD11 ILE 56 3HD1 ILE 56 -4.642 3.085 -2.886 476 HD12 ILE 56 1HD1 ILE 56 -6.260 2.395 -2.765 477 HD13 ILE 56 2HD1 ILE 56 -4.881 1.522 -2.098 478 H LEU 57 H LEU 57 -2.930 6.308 0.316 479 HA LEU 57 HA LEU 57 -0.461 5.787 1.495 480 HB2 LEU 57 2HB LEU 57 -0.833 7.380 -0.354 481 HB3 LEU 57 3HB LEU 57 -1.662 8.476 0.721 482 HG LEU 57 HG LEU 57 1.265 7.807 1.239 483 HD11 LEU 57 1HD1 LEU 57 0.303 9.932 -0.712 484 HD12 LEU 57 2HD1 LEU 57 1.159 8.444 -1.132 485 HD13 LEU 57 3HD1 LEU 57 1.968 9.679 -0.173 486 HD21 LEU 57 3HD2 LEU 57 0.101 9.123 2.969 487 HD22 LEU 57 1HD2 LEU 57 -0.353 10.333 1.768 488 HD23 LEU 57 2HD2 LEU 57 1.348 10.084 2.179 489 H GLU 58 H GLU 58 -3.083 7.901 2.693 490 HA GLU 58 HA GLU 58 -1.787 8.599 5.122 491 HB2 GLU 58 2HB GLU 58 -4.045 9.380 5.865 492 HB3 GLU 58 3HB GLU 58 -3.572 10.007 4.291 493 HG2 GLU 58 2HG GLU 58 -5.016 8.413 3.168 494 HG3 GLU 58 3HG GLU 58 -5.431 7.659 4.701 495 H GLU 59 H GLU 59 -4.106 6.015 4.252 496 HA GLU 59 HA GLU 59 -4.735 5.077 6.799 497 HB2 GLU 59 2HB GLU 59 -5.919 4.382 4.729 498 HB3 GLU 59 3HB GLU 59 -4.508 3.456 4.233 499 HG2 GLU 59 2HG GLU 59 -6.099 1.896 5.092 500 HG3 GLU 59 3HG GLU 59 -4.814 2.016 6.285 501 H VAL 60 H VAL 60 -2.139 3.978 4.615 502 HA VAL 60 HA VAL 60 -1.020 2.099 6.415 503 HB VAL 60 HB VAL 60 -0.607 1.902 4.009 504 HG11 VAL 60 1HG1 VAL 60 0.958 3.330 2.789 505 HG12 VAL 60 2HG1 VAL 60 1.099 4.388 4.196 506 HG13 VAL 60 3HG1 VAL 60 -0.446 4.241 3.355 507 HG21 VAL 60 3HG2 VAL 60 1.789 1.351 4.064 508 HG22 VAL 60 1HG2 VAL 60 0.977 0.834 5.544 509 HG23 VAL 60 2HG2 VAL 60 1.978 2.288 5.548 510 H ARG 61 H ARG 61 -0.367 5.554 5.841 511 HA ARG 61 HA ARG 61 1.956 5.540 7.573 512 HB2 ARG 61 2HB ARG 61 0.422 7.751 6.178 513 HB3 ARG 61 3HB ARG 61 1.772 8.084 7.264 514 HG2 ARG 61 2HG ARG 61 3.254 6.687 5.832 515 HG3 ARG 61 3HG ARG 61 1.906 6.418 4.722 516 HD2 ARG 61 2HD ARG 61 1.800 8.807 4.229 517 HD3 ARG 61 3HD ARG 61 3.077 9.134 5.407 518 HE ARG 61 HE ARG 61 4.014 7.276 3.502 519 HH11 ARG 61 1HH1 ARG 61 3.175 10.672 3.715 520 HH12 ARG 61 2HH1 ARG 61 4.277 11.149 2.466 521 HH21 ARG 61 1HH2 ARG 61 5.485 7.927 1.855 522 HH22 ARG 61 2HH2 ARG 61 5.575 9.607 1.422 523 H ARG 62 H ARG 62 -1.409 5.703 8.218 524 HA ARG 62 HA ARG 62 -1.164 7.095 10.786 525 HB2 ARG 62 2HB ARG 62 -3.499 5.632 9.451 526 HB3 ARG 62 3HB ARG 62 -3.619 6.426 11.019 527 HG2 ARG 62 2HG ARG 62 -3.224 8.599 10.009 528 HG3 ARG 62 3HG ARG 62 -2.924 7.861 8.438 529 HD2 ARG 62 2HD ARG 62 -5.180 8.836 8.551 530 HD3 ARG 62 3HD ARG 62 -5.257 7.082 8.345 531 HE ARG 62 HE ARG 62 -5.514 8.309 11.020 532 HH11 ARG 62 1HH1 ARG 62 -6.944 6.321 8.484 533 HH12 ARG 62 2HH1 ARG 62 -8.267 5.805 9.479 534 HH21 ARG 62 1HH2 ARG 62 -7.235 7.602 12.311 535 HH22 ARG 62 2HH2 ARG 62 -8.429 6.534 11.646 536 H LYS 63 H LYS 63 -1.791 3.822 9.558 537 HA LYS 63 HA LYS 63 -2.041 2.655 12.228 538 HB2 LYS 63 2HB LYS 63 -2.226 1.363 9.464 539 HB3 LYS 63 3HB LYS 63 -2.692 0.610 10.988 540 HG2 LYS 63 2HG LYS 63 -4.000 3.064 9.780 541 HG3 LYS 63 3HG LYS 63 -4.630 1.418 9.681 542 HD2 LYS 63 2HD LYS 63 -4.842 1.365 12.162 543 HD3 LYS 63 3HD LYS 63 -4.240 3.026 12.241 544 HE2 LYS 63 2HE LYS 63 -6.712 2.905 12.411 545 HE3 LYS 63 3HE LYS 63 -6.196 3.825 10.996 546 HZ1 LYS 63 3HZ LYS 63 -8.034 2.215 10.600 547 HZ2 LYS 63 1HZ LYS 63 -6.941 0.956 10.893 548 HZ3 LYS 63 2HZ LYS 63 -6.690 2.004 9.592 549 H VAL 64 H VAL 64 0.169 2.685 9.542 550 HA VAL 64 HA VAL 64 2.007 0.715 10.780 551 HB VAL 64 HB VAL 64 1.677 1.516 7.853 552 HG11 VAL 64 1HG1 VAL 64 3.527 -0.556 9.059 553 HG12 VAL 64 2HG1 VAL 64 3.998 0.955 8.282 554 HG13 VAL 64 3HG1 VAL 64 3.241 -0.321 7.331 555 HG21 VAL 64 3HG2 VAL 64 0.783 -0.754 7.506 556 HG22 VAL 64 1HG2 VAL 64 -0.214 0.179 8.623 557 HG23 VAL 64 2HG2 VAL 64 0.880 -1.060 9.242 558 HA PRO 65 HA PRO 65 4.863 4.312 10.665 559 HB2 PRO 65 2HB PRO 65 5.865 4.133 13.143 560 HB3 PRO 65 3HB PRO 65 4.213 4.758 12.898 561 HG2 PRO 65 2HG PRO 65 5.075 2.013 13.772 562 HG3 PRO 65 3HG PRO 65 3.782 3.045 14.425 563 HD2 PRO 65 2HD PRO 65 3.377 1.006 12.558 564 HD3 PRO 65 3HD PRO 65 2.271 2.375 12.820 565 H ASN 66 H ASN 66 5.072 0.967 10.575 566 HA ASN 66 HA ASN 66 8.017 0.816 10.907 567 HB2 ASN 66 2HB ASN 66 5.943 -1.419 11.041 568 HB3 ASN 66 3HB ASN 66 7.664 -1.586 11.366 569 HD21 ASN 66 1HD2 ASN 66 5.444 -2.229 13.106 570 HD22 ASN 66 2HD2 ASN 66 5.626 -1.259 14.525 571 H ALA 67 H ALA 67 6.604 1.665 8.374 572 HA ALA 67 HA ALA 67 7.941 -0.245 6.560 573 HB1 ALA 67 3HB ALA 67 5.092 0.717 6.088 574 HB2 ALA 67 1HB ALA 67 5.557 -0.916 6.580 575 HB3 ALA 67 2HB ALA 67 6.052 -0.298 5.005 576 H ARG 68 H ARG 68 8.459 0.618 4.501 577 HA ARG 68 HA ARG 68 8.800 3.533 4.433 578 HB2 ARG 68 2HB ARG 68 10.787 2.037 4.042 579 HB3 ARG 68 3HB ARG 68 9.984 1.363 2.625 580 HG2 ARG 68 2HG ARG 68 11.630 3.026 1.930 581 HG3 ARG 68 3HG ARG 68 10.006 3.608 1.556 582 HD2 ARG 68 2HD ARG 68 10.049 5.018 3.591 583 HD3 ARG 68 3HD ARG 68 11.676 4.435 3.959 584 HE ARG 68 HE ARG 68 11.154 5.835 1.419 585 HH11 ARG 68 1HH1 ARG 68 12.705 5.850 4.590 586 HH12 ARG 68 2HH1 ARG 68 13.710 7.213 4.215 587 HH21 ARG 68 1HH2 ARG 68 12.432 7.622 0.966 588 HH22 ARG 68 2HH2 ARG 68 13.546 8.216 2.152 589 H VAL 69 H VAL 69 7.021 4.496 3.606 590 HA VAL 69 HA VAL 69 5.478 3.307 1.385 591 HB VAL 69 HB VAL 69 4.796 5.734 3.128 592 HG11 VAL 69 1HG1 VAL 69 3.606 5.705 0.979 593 HG12 VAL 69 2HG1 VAL 69 2.493 5.413 2.316 594 HG13 VAL 69 3HG1 VAL 69 3.027 4.069 1.304 595 HG21 VAL 69 3HG2 VAL 69 3.311 4.250 4.425 596 HG22 VAL 69 1HG2 VAL 69 4.997 3.732 4.545 597 HG23 VAL 69 2HG2 VAL 69 3.877 2.857 3.497 598 H ARG 70 H ARG 70 6.163 3.949 -0.597 599 HA ARG 70 HA ARG 70 7.119 6.725 -1.006 600 HB2 ARG 70 2HB ARG 70 9.077 5.235 -0.876 601 HB3 ARG 70 3HB ARG 70 8.380 4.161 -2.082 602 HG2 ARG 70 2HG ARG 70 10.124 5.518 -3.101 603 HG3 ARG 70 3HG ARG 70 8.559 5.959 -3.784 604 HD2 ARG 70 2HD ARG 70 8.511 7.937 -2.232 605 HD3 ARG 70 3HD ARG 70 10.145 7.520 -1.706 606 HE ARG 70 HE ARG 70 9.416 8.269 -4.482 607 HH11 ARG 70 1HH1 ARG 70 11.730 8.388 -1.834 608 HH12 ARG 70 2HH1 ARG 70 12.868 9.348 -2.726 609 HH21 ARG 70 1HH2 ARG 70 10.911 9.529 -5.621 610 HH22 ARG 70 2HH2 ARG 70 12.403 9.990 -4.867 611 H GLU 71 H GLU 71 5.856 7.717 -2.453 612 HA GLU 71 HA GLU 71 4.420 6.365 -4.573 613 HB2 GLU 71 2HB GLU 71 4.833 9.309 -3.910 614 HB3 GLU 71 3HB GLU 71 4.019 8.791 -5.384 615 HG2 GLU 71 2HG GLU 71 2.429 7.499 -3.842 616 HG3 GLU 71 3HG GLU 71 3.119 8.442 -2.525 617 H THR 72 H THR 72 5.073 6.130 -6.604 618 HA THR 72 HA THR 72 7.436 7.499 -7.700 619 HB THR 72 HB THR 72 8.174 5.289 -8.754 620 HG1 THR 72 HG1 THR 72 6.195 4.293 -6.979 621 HG21 THR 72 3HG2 THR 72 9.299 4.354 -6.768 622 HG22 THR 72 1HG2 THR 72 8.233 5.292 -5.717 623 HG23 THR 72 2HG2 THR 72 9.388 6.117 -6.766 624 H GLU 73 H GLU 73 6.550 8.553 -9.397 625 HA GLU 73 HA GLU 73 4.229 7.535 -10.856 626 HB2 GLU 73 2HB GLU 73 4.365 9.939 -10.244 627 HB3 GLU 73 3HB GLU 73 5.859 10.101 -11.161 628 HG2 GLU 73 2HG GLU 73 4.521 9.460 -13.235 629 HG3 GLU 73 3HG GLU 73 3.070 9.587 -12.243 630 H THR 74 H THR 74 4.576 6.122 -12.493 631 HA THR 74 HA THR 74 7.010 6.136 -14.110 632 HB THR 74 HB THR 74 4.454 4.593 -14.673 633 HG1 THR 74 HG1 THR 74 6.182 4.319 -12.606 634 HG21 THR 74 3HG2 THR 74 7.344 3.996 -15.392 635 HG22 THR 74 1HG2 THR 74 6.116 4.605 -16.509 636 HG23 THR 74 2HG2 THR 74 5.953 2.994 -15.808 637 H GLY 75 H GLY 75 7.179 7.295 -15.970 638 HA2 GLY 75 2HA GLY 75 5.232 8.038 -17.815 639 HA3 GLY 75 3HA GLY 75 5.283 9.330 -16.620 640 H SER 76 H SER 76 7.281 7.469 -18.862 641 HA SER 76 HA SER 76 9.427 9.416 -18.884 642 HB2 SER 76 2HB SER 76 9.909 6.980 -19.100 643 HB3 SER 76 3HB SER 76 8.990 6.932 -20.606 644 HG SER 76 HG SER 76 10.507 8.283 -21.549 645 H LEU 77 H LEU 77 8.037 11.229 -19.526 646 HA LEU 77 HA LEU 77 8.205 11.594 -22.426 647 HB2 LEU 77 2HB LEU 77 6.103 12.767 -22.632 648 HB3 LEU 77 3HB LEU 77 5.804 11.153 -22.033 649 HG LEU 77 HG LEU 77 5.690 13.677 -20.312 650 HD11 LEU 77 1HD1 LEU 77 3.383 12.092 -21.504 651 HD12 LEU 77 2HD1 LEU 77 3.896 13.710 -21.990 652 HD13 LEU 77 3HD1 LEU 77 3.242 13.446 -20.377 653 HD21 LEU 77 3HD2 LEU 77 6.196 11.686 -18.973 654 HD22 LEU 77 1HD2 LEU 77 4.803 10.846 -19.658 655 HD23 LEU 77 2HD2 LEU 77 4.567 12.268 -18.639 656 H GLU 78 H GLU 78 9.640 13.126 -22.711 657 HA GLU 78 HA GLU 78 9.791 15.480 -20.983 658 HB2 GLU 78 2HB GLU 78 12.326 15.089 -20.720 659 HB3 GLU 78 3HB GLU 78 11.253 14.134 -19.716 660 HG2 GLU 78 2HG GLU 78 13.046 12.732 -20.446 661 HG3 GLU 78 3HG GLU 78 11.575 12.199 -21.248 662 H HIS 79 H HIS 79 11.979 16.725 -21.845 663 HA HIS 79 HA HIS 79 11.271 17.329 -24.637 664 HB2 HIS 79 2HB HIS 79 12.337 19.523 -24.270 665 HB3 HIS 79 3HB HIS 79 11.126 19.205 -23.037 666 HD1 HIS 79 HD1 HIS 79 13.504 21.267 -22.806 667 HD2 HIS 79 HD2 HIS 79 13.408 17.493 -21.066 668 HE1 HIS 79 HE1 HIS 79 15.092 21.372 -20.872 669 HE2 HIS 79 HE2 HIS 79 15.106 19.056 -19.902 670 H HIS 80 H HIS 80 12.516 15.200 -25.056 671 HA HIS 80 HA HIS 80 15.385 15.329 -25.308 672 HB2 HIS 80 2HB HIS 80 13.914 13.204 -25.264 673 HB3 HIS 80 3HB HIS 80 13.505 13.546 -26.937 674 HD1 HIS 80 HD1 HIS 80 15.150 12.725 -28.686 675 HD2 HIS 80 HD2 HIS 80 16.701 12.562 -24.834 676 HE1 HIS 80 HE1 HIS 80 17.326 11.487 -28.886 677 HE2 HIS 80 HE2 HIS 80 18.159 11.272 -26.522 678 H HIS 81 H HIS 81 16.225 16.953 -26.561 679 HA HIS 81 HA HIS 81 14.692 18.358 -28.496 680 HB2 HIS 81 2HB HIS 81 16.557 19.840 -28.810 681 HB3 HIS 81 3HB HIS 81 16.586 19.385 -27.111 682 HD1 HIS 81 HD1 HIS 81 18.481 18.995 -30.324 683 HD2 HIS 81 HD2 HIS 81 18.897 17.967 -26.319 684 HE1 HIS 81 HE1 HIS 81 20.865 18.247 -30.064 685 HE2 HIS 81 HE2 HIS 81 21.052 17.524 -27.661 686 H HIS 82 H HIS 82 14.705 18.323 -30.697 687 HA HIS 82 HA HIS 82 15.579 15.919 -32.039 688 HB2 HIS 82 2HB HIS 82 14.199 18.439 -33.087 689 HB3 HIS 82 3HB HIS 82 14.534 17.020 -34.077 690 HD1 HIS 82 HD1 HIS 82 12.635 15.417 -34.232 691 HD2 HIS 82 HD2 HIS 82 12.439 17.671 -30.746 692 HE1 HIS 82 HE1 HIS 82 10.474 14.777 -33.125 693 HE2 HIS 82 HE2 HIS 82 10.309 16.275 -31.114 694 H HIS 83 H HIS 83 17.040 15.816 -33.795 695 HA HIS 83 HA HIS 83 19.168 17.846 -33.835 696 HB2 HIS 83 2HB HIS 83 19.893 15.506 -33.552 697 HB3 HIS 83 3HB HIS 83 19.066 15.037 -35.035 698 HD1 HIS 83 HD1 HIS 83 20.482 15.046 -37.090 699 HD2 HIS 83 HD2 HIS 83 22.102 17.452 -34.105 700 HE1 HIS 83 HE1 HIS 83 22.678 15.861 -37.997 701 HE2 HIS 83 HE2 HIS 83 23.617 17.351 -36.198 702 H HIS 84 H HIS 84 19.181 19.333 -35.393 703 HA HIS 84 HA HIS 84 17.839 18.903 -37.964 704 HB2 HIS 84 2HB HIS 84 17.459 21.081 -36.835 705 HB3 HIS 84 3HB HIS 84 19.189 21.403 -36.810 706 HD1 HIS 84 HD1 HIS 84 16.315 21.016 -39.271 707 HD2 HIS 84 HD2 HIS 84 20.143 22.623 -39.101 708 HE1 HIS 84 HE1 HIS 84 16.618 22.271 -41.424 709 HE2 HIS 84 HE2 HIS 84 18.969 23.152 -41.332 Start of MODEL 4 1 H1 MET 1 1H MET 1 2.270 13.531 -13.778 2 H2 MET 1 2H MET 1 0.772 13.130 -13.115 3 H3 MET 1 3H MET 1 1.025 14.676 -13.748 4 HA MET 1 HA MET 1 -0.297 13.274 -15.198 5 HB2 MET 1 2HB MET 1 1.089 13.689 -17.290 6 HB3 MET 1 3HB MET 1 0.844 15.089 -16.263 7 HG2 MET 1 2HG MET 1 3.138 14.800 -15.355 8 HG3 MET 1 3HG MET 1 3.370 13.430 -16.440 9 HE1 MET 1 3HE MET 1 3.292 15.205 -19.970 10 HE2 MET 1 1HE MET 1 1.881 14.534 -19.158 11 HE3 MET 1 2HE MET 1 3.417 13.661 -19.125 12 H GLY 2 H GLY 2 -0.599 11.160 -14.603 13 HA2 GLY 2 2HA GLY 2 0.033 9.036 -16.022 14 HA3 GLY 2 3HA GLY 2 1.504 9.143 -15.058 15 H GLN 3 H GLN 3 0.551 6.891 -14.577 16 HA GLN 3 HA GLN 3 -1.603 6.771 -12.631 17 HB2 GLN 3 2HB GLN 3 -1.179 4.912 -14.271 18 HB3 GLN 3 3HB GLN 3 0.376 4.612 -13.517 19 HG2 GLN 3 2HG GLN 3 -0.803 4.031 -11.385 20 HG3 GLN 3 3HG GLN 3 -2.347 4.259 -12.211 21 HE21 GLN 3 1HE2 GLN 3 -2.951 2.097 -11.840 22 HE22 GLN 3 2HE2 GLN 3 -2.226 0.782 -12.697 23 H TRP 4 H TRP 4 -1.360 6.889 -10.475 24 HA TRP 4 HA TRP 4 1.315 7.212 -9.320 25 HB2 TRP 4 2HB TRP 4 -1.472 7.608 -8.138 26 HB3 TRP 4 3HB TRP 4 0.039 7.939 -7.285 27 HD1 TRP 4 HD1 TRP 4 1.500 10.039 -8.137 28 HE1 TRP 4 HE1 TRP 4 0.901 12.105 -9.525 29 HE3 TRP 4 HE3 TRP 4 -3.005 8.502 -10.008 30 HZ2 TRP 4 HZ2 TRP 4 -1.180 12.994 -11.182 31 HZ3 TRP 4 HZ3 TRP 4 -4.239 10.034 -11.490 32 HH2 TRP 4 HH2 TRP 4 -3.347 12.233 -12.066 33 H GLN 5 H GLN 5 2.138 5.918 -7.725 34 HA GLN 5 HA GLN 5 0.857 3.324 -7.179 35 HB2 GLN 5 2HB GLN 5 2.376 3.216 -9.253 36 HB3 GLN 5 3HB GLN 5 3.740 3.602 -8.215 37 HG2 GLN 5 2HG GLN 5 1.995 1.144 -7.862 38 HG3 GLN 5 3HG GLN 5 3.467 1.167 -8.821 39 HE21 GLN 5 1HE2 GLN 5 5.040 2.804 -7.072 40 HE22 GLN 5 2HE2 GLN 5 5.338 1.900 -5.642 41 H ILE 6 H ILE 6 1.440 2.441 -5.151 42 HA ILE 6 HA ILE 6 3.266 3.996 -3.389 43 HB ILE 6 HB ILE 6 0.690 2.586 -2.507 44 HG12 ILE 6 2HG1 ILE 6 1.098 5.601 -2.767 45 HG13 ILE 6 3HG1 ILE 6 0.203 4.611 -3.919 46 HG21 ILE 6 1HG2 ILE 6 2.538 4.438 -0.945 47 HG22 ILE 6 2HG2 ILE 6 2.363 2.694 -0.711 48 HG23 ILE 6 3HG2 ILE 6 1.015 3.781 -0.345 49 HD11 ILE 6 3HD1 ILE 6 -1.385 4.004 -2.179 50 HD12 ILE 6 1HD1 ILE 6 -1.281 5.747 -2.403 51 HD13 ILE 6 2HD1 ILE 6 -0.496 4.996 -1.016 52 H LYS 7 H LYS 7 5.032 2.570 -3.281 53 HA LYS 7 HA LYS 7 4.575 -0.278 -2.735 54 HB2 LYS 7 2HB LYS 7 7.031 1.306 -3.537 55 HB3 LYS 7 3HB LYS 7 7.229 -0.262 -2.753 56 HG2 LYS 7 2HG LYS 7 5.902 -1.339 -4.507 57 HG3 LYS 7 3HG LYS 7 5.632 0.220 -5.283 58 HD2 LYS 7 2HD LYS 7 8.103 0.409 -5.659 59 HD3 LYS 7 3HD LYS 7 8.295 -1.211 -4.976 60 HE2 LYS 7 2HE LYS 7 6.786 -2.090 -6.770 61 HE3 LYS 7 3HE LYS 7 6.723 -0.473 -7.464 62 HZ1 LYS 7 3HZ LYS 7 9.062 -0.548 -7.871 63 HZ2 LYS 7 1HZ LYS 7 8.355 -1.921 -8.539 64 HZ3 LYS 7 2HZ LYS 7 9.214 -2.039 -7.094 65 H ILE 8 H ILE 8 4.259 -0.830 -0.779 66 HA ILE 8 HA ILE 8 5.193 0.703 1.554 67 HB ILE 8 HB ILE 8 3.267 -1.673 1.346 68 HG12 ILE 8 2HG1 ILE 8 2.519 1.278 1.599 69 HG13 ILE 8 3HG1 ILE 8 2.442 0.356 0.102 70 HG21 ILE 8 1HG2 ILE 8 2.519 -1.038 3.619 71 HG22 ILE 8 2HG2 ILE 8 3.745 0.228 3.672 72 HG23 ILE 8 3HG2 ILE 8 4.233 -1.467 3.590 73 HD11 ILE 8 3HD1 ILE 8 0.268 0.585 1.143 74 HD12 ILE 8 1HD1 ILE 8 0.851 -0.226 2.594 75 HD13 ILE 8 2HD1 ILE 8 0.762 -1.105 1.064 76 H TYR 9 H TYR 9 7.147 -0.053 2.370 77 HA TYR 9 HA TYR 9 7.882 -2.917 2.117 78 HB2 TYR 9 2HB TYR 9 9.727 -0.539 2.697 79 HB3 TYR 9 3HB TYR 9 10.222 -2.203 2.419 80 HD1 TYR 9 HD1 TYR 9 9.075 0.921 0.803 81 HD2 TYR 9 HD2 TYR 9 10.304 -3.120 0.134 82 HE1 TYR 9 HE1 TYR 9 9.398 1.417 -1.583 83 HE2 TYR 9 HE2 TYR 9 10.620 -2.620 -2.251 84 HH TYR 9 HH TYR 9 10.673 0.556 -3.484 85 H SER 10 H SER 10 7.488 -3.978 4.033 86 HA SER 10 HA SER 10 8.695 -2.817 6.434 87 HB2 SER 10 2HB SER 10 6.259 -2.278 6.680 88 HB3 SER 10 3HB SER 10 5.882 -3.995 6.569 89 HG SER 10 HG SER 10 6.171 -2.943 8.749 90 H GLU 11 H GLU 11 8.968 -4.465 8.135 91 HA GLU 11 HA GLU 11 10.268 -6.727 6.810 92 HB2 GLU 11 2HB GLU 11 10.613 -5.695 9.655 93 HB3 GLU 11 3HB GLU 11 11.662 -6.829 8.806 94 HG2 GLU 11 2HG GLU 11 12.165 -4.993 7.142 95 HG3 GLU 11 3HG GLU 11 11.266 -3.888 8.175 96 H ASN 12 H ASN 12 7.288 -6.411 7.970 97 HA ASN 12 HA ASN 12 7.062 -9.230 8.672 98 HB2 ASN 12 2HB ASN 12 7.465 -8.079 10.850 99 HB3 ASN 12 3HB ASN 12 6.075 -7.046 10.561 100 HD21 ASN 12 1HD2 ASN 12 5.551 -7.964 12.720 101 HD22 ASN 12 2HD2 ASN 12 4.665 -9.448 12.780 102 H GLU 13 H GLU 13 5.126 -10.107 8.092 103 HA GLU 13 HA GLU 13 3.446 -8.729 6.238 104 HB2 GLU 13 2HB GLU 13 2.209 -10.854 6.074 105 HB3 GLU 13 3HB GLU 13 3.950 -11.129 6.006 106 HG2 GLU 13 2HG GLU 13 3.948 -11.844 8.368 107 HG3 GLU 13 3HG GLU 13 2.219 -11.526 8.466 108 H ARG 14 H ARG 14 3.259 -9.338 9.672 109 HA ARG 14 HA ARG 14 0.562 -9.129 10.295 110 HB2 ARG 14 2HB ARG 14 2.293 -9.627 11.964 111 HB3 ARG 14 3HB ARG 14 2.975 -8.018 11.786 112 HG2 ARG 14 2HG ARG 14 1.728 -8.158 13.869 113 HG3 ARG 14 3HG ARG 14 0.913 -7.042 12.772 114 HD2 ARG 14 2HD ARG 14 -0.687 -8.892 12.167 115 HD3 ARG 14 3HD ARG 14 0.097 -9.912 13.376 116 HE ARG 14 HE ARG 14 -0.800 -8.584 15.088 117 HH11 ARG 14 1HH1 ARG 14 -1.833 -7.441 11.936 118 HH12 ARG 14 2HH1 ARG 14 -3.128 -6.488 12.580 119 HH21 ARG 14 1HH2 ARG 14 -2.467 -7.311 15.916 120 HH22 ARG 14 2HH2 ARG 14 -3.493 -6.412 14.837 121 H GLU 15 H GLU 15 2.856 -6.629 9.479 122 HA GLU 15 HA GLU 15 1.294 -4.340 10.027 123 HB2 GLU 15 2HB GLU 15 3.553 -4.646 7.996 124 HB3 GLU 15 3HB GLU 15 2.997 -3.141 8.727 125 HG2 GLU 15 2HG GLU 15 4.521 -5.408 10.027 126 HG3 GLU 15 3HG GLU 15 5.025 -3.730 9.829 127 H PHE 16 H PHE 16 1.914 -6.197 7.073 128 HA PHE 16 HA PHE 16 0.327 -4.610 5.316 129 HB2 PHE 16 2HB PHE 16 1.462 -7.423 5.025 130 HB3 PHE 16 3HB PHE 16 0.634 -6.563 3.724 131 HD1 PHE 16 HD2 PHE 16 3.617 -6.485 5.944 132 HD2 PHE 16 HD1 PHE 16 1.747 -4.868 2.464 133 HE1 PHE 16 HE2 PHE 16 5.698 -5.334 5.347 134 HE2 PHE 16 HE1 PHE 16 3.828 -3.718 1.890 135 HZ PHE 16 HZ PHE 16 5.806 -3.941 3.326 136 H ARG 17 H ARG 17 -0.447 -7.215 7.485 137 HA ARG 17 HA ARG 17 -2.763 -8.263 6.356 138 HB2 ARG 17 2HB ARG 17 -2.103 -7.794 9.296 139 HB3 ARG 17 3HB ARG 17 -3.498 -8.718 8.750 140 HG2 ARG 17 2HG ARG 17 -0.584 -9.416 8.280 141 HG3 ARG 17 3HG ARG 17 -1.693 -10.213 9.395 142 HD2 ARG 17 2HD ARG 17 -2.047 -10.151 6.376 143 HD3 ARG 17 3HD ARG 17 -1.326 -11.487 7.284 144 HE ARG 17 HE ARG 17 -3.871 -10.871 8.345 145 HH11 ARG 17 1HH1 ARG 17 -2.446 -12.451 5.537 146 HH12 ARG 17 2HH1 ARG 17 -3.826 -13.466 5.270 147 HH21 ARG 17 1HH2 ARG 17 -5.661 -12.206 7.969 148 HH22 ARG 17 2HH2 ARG 17 -5.641 -13.328 6.643 149 H GLU 18 H GLU 18 -2.313 -5.354 8.328 150 HA GLU 18 HA GLU 18 -5.003 -4.550 8.568 151 HB2 GLU 18 2HB GLU 18 -2.529 -2.762 8.538 152 HB3 GLU 18 3HB GLU 18 -4.093 -2.367 9.246 153 HG2 GLU 18 2HG GLU 18 -2.086 -4.418 10.212 154 HG3 GLU 18 3HG GLU 18 -2.607 -2.949 11.038 155 H LEU 19 H LEU 19 -2.523 -3.886 6.145 156 HA LEU 19 HA LEU 19 -3.988 -1.975 4.635 157 HB2 LEU 19 2HB LEU 19 -1.558 -3.668 3.962 158 HB3 LEU 19 3HB LEU 19 -2.305 -2.619 2.768 159 HG LEU 19 HG LEU 19 -0.436 -1.435 3.692 160 HD11 LEU 19 1HD1 LEU 19 -2.999 -0.273 4.843 161 HD12 LEU 19 2HD1 LEU 19 -2.379 -0.045 3.206 162 HD13 LEU 19 3HD1 LEU 19 -1.489 0.599 4.577 163 HD21 LEU 19 3HD2 LEU 19 -0.151 -0.924 6.074 164 HD22 LEU 19 1HD2 LEU 19 -0.135 -2.663 5.793 165 HD23 LEU 19 2HD2 LEU 19 -1.570 -1.894 6.476 166 H ILE 20 H ILE 20 -3.595 -5.500 4.343 167 HA ILE 20 HA ILE 20 -4.992 -5.848 1.918 168 HB ILE 20 HB ILE 20 -4.661 -7.818 4.240 169 HG12 ILE 20 2HG1 ILE 20 -2.483 -7.150 3.301 170 HG13 ILE 20 3HG1 ILE 20 -2.825 -8.815 2.867 171 HG21 ILE 20 1HG2 ILE 20 -5.552 -8.415 1.388 172 HG22 ILE 20 2HG2 ILE 20 -6.548 -8.531 2.839 173 HG23 ILE 20 3HG2 ILE 20 -5.182 -9.623 2.620 174 HD11 ILE 20 3HD1 ILE 20 -3.446 -8.064 0.593 175 HD12 ILE 20 1HD1 ILE 20 -1.790 -7.644 1.032 176 HD13 ILE 20 2HD1 ILE 20 -3.044 -6.407 1.054 177 H GLU 21 H GLU 21 -6.081 -5.891 5.328 178 HA GLU 21 HA GLU 21 -8.806 -6.447 4.885 179 HB2 GLU 21 2HB GLU 21 -7.609 -4.805 7.152 180 HB3 GLU 21 3HB GLU 21 -9.205 -5.545 7.157 181 HG2 GLU 21 2HG GLU 21 -6.504 -6.876 7.355 182 HG3 GLU 21 3HG GLU 21 -7.852 -6.953 8.482 183 H ARG 22 H ARG 22 -7.017 -3.391 4.943 184 HA ARG 22 HA ARG 22 -9.265 -1.657 4.777 185 HB2 ARG 22 2HB ARG 22 -6.306 -1.222 4.205 186 HB3 ARG 22 3HB ARG 22 -7.491 0.062 3.992 187 HG2 ARG 22 2HG ARG 22 -6.914 -1.388 6.597 188 HG3 ARG 22 3HG ARG 22 -6.351 0.227 6.167 189 HD2 ARG 22 2HD ARG 22 -9.267 -0.589 6.505 190 HD3 ARG 22 3HD ARG 22 -8.300 0.305 7.677 191 HE ARG 22 HE ARG 22 -8.236 2.162 6.199 192 HH11 ARG 22 1HH1 ARG 22 -10.492 -0.310 5.131 193 HH12 ARG 22 2HH1 ARG 22 -11.341 0.772 4.068 194 HH21 ARG 22 1HH2 ARG 22 -9.298 3.529 4.728 195 HH22 ARG 22 2HH2 ARG 22 -10.672 2.924 3.843 196 H LEU 23 H LEU 23 -7.040 -2.914 2.283 197 HA LEU 23 HA LEU 23 -7.963 -1.245 0.191 198 HB2 LEU 23 2HB LEU 23 -6.322 -3.808 0.049 199 HB3 LEU 23 3HB LEU 23 -6.574 -2.707 -1.297 200 HG LEU 23 HG LEU 23 -5.072 -2.072 1.271 201 HD11 LEU 23 1HD1 LEU 23 -3.069 -1.953 -0.132 202 HD12 LEU 23 2HD1 LEU 23 -4.015 -2.422 -1.547 203 HD13 LEU 23 3HD1 LEU 23 -3.815 -3.551 -0.206 204 HD21 LEU 23 3HD2 LEU 23 -4.507 0.094 0.246 205 HD22 LEU 23 1HD2 LEU 23 -6.239 -0.074 0.523 206 HD23 LEU 23 2HD2 LEU 23 -5.585 -0.259 -1.104 207 H GLU 24 H GLU 24 -8.767 -4.554 1.146 208 HA GLU 24 HA GLU 24 -10.351 -5.231 -1.119 209 HB2 GLU 24 2HB GLU 24 -10.463 -6.348 1.715 210 HB3 GLU 24 3HB GLU 24 -11.236 -7.081 0.312 211 HG2 GLU 24 2HG GLU 24 -8.250 -6.714 0.705 212 HG3 GLU 24 3HG GLU 24 -9.136 -8.220 0.904 213 H GLU 25 H GLU 25 -11.014 -3.369 1.735 214 HA GLU 25 HA GLU 25 -13.899 -3.318 1.335 215 HB2 GLU 25 2HB GLU 25 -12.113 -1.891 3.347 216 HB3 GLU 25 3HB GLU 25 -13.872 -1.777 3.329 217 HG2 GLU 25 2HG GLU 25 -12.322 -4.364 3.688 218 HG3 GLU 25 3HG GLU 25 -12.967 -3.397 5.009 219 H GLU 26 H GLU 26 -11.184 -1.527 0.219 220 HA GLU 26 HA GLU 26 -12.639 0.929 -0.327 221 HB2 GLU 26 2HB GLU 26 -9.949 0.082 -1.465 222 HB3 GLU 26 3HB GLU 26 -10.605 1.711 -1.415 223 HG2 GLU 26 2HG GLU 26 -9.708 0.061 0.962 224 HG3 GLU 26 3HG GLU 26 -8.814 1.386 0.230 225 H ARG 27 H ARG 27 -14.265 0.693 -1.729 226 HA ARG 27 HA ARG 27 -14.182 -1.029 -4.053 227 HB2 ARG 27 2HB ARG 27 -16.269 0.708 -2.742 228 HB3 ARG 27 3HB ARG 27 -16.492 0.333 -4.445 229 HG2 ARG 27 2HG ARG 27 -17.741 -1.246 -3.096 230 HG3 ARG 27 3HG ARG 27 -16.434 -2.077 -3.934 231 HD2 ARG 27 2HD ARG 27 -15.102 -2.044 -1.821 232 HD3 ARG 27 3HD ARG 27 -16.472 -1.286 -0.997 233 HE ARG 27 HE ARG 27 -17.286 -3.664 -2.302 234 HH11 ARG 27 1HH1 ARG 27 -15.559 -2.634 0.580 235 HH12 ARG 27 2HH1 ARG 27 -15.933 -4.085 1.462 236 HH21 ARG 27 1HH2 ARG 27 -17.753 -5.556 -1.147 237 HH22 ARG 27 2HH2 ARG 27 -17.178 -5.736 0.481 238 HA PRO 28 HA PRO 28 -15.569 -0.854 -6.318 239 HB2 PRO 28 2HB PRO 28 -14.494 -1.221 -8.823 240 HB3 PRO 28 3HB PRO 28 -15.686 0.046 -8.466 241 HG2 PRO 28 2HG PRO 28 -12.699 0.289 -8.656 242 HG3 PRO 28 3HG PRO 28 -13.958 1.339 -9.344 243 HD2 PRO 28 2HD PRO 28 -12.660 1.988 -7.047 244 HD3 PRO 28 3HD PRO 28 -14.363 2.421 -7.316 245 H SER 29 H SER 29 -12.063 -0.687 -6.845 246 HA SER 29 HA SER 29 -11.421 -3.015 -5.384 247 HB2 SER 29 2HB SER 29 -10.575 -4.405 -7.342 248 HB3 SER 29 3HB SER 29 -12.330 -4.264 -7.284 249 HG SER 29 HG SER 29 -10.782 -2.474 -8.839 250 H VAL 30 H VAL 30 -9.414 -2.626 -4.675 251 HA VAL 30 HA VAL 30 -7.669 -0.682 -5.974 252 HB VAL 30 HB VAL 30 -7.253 -2.307 -3.409 253 HG11 VAL 30 1HG1 VAL 30 -5.581 -0.003 -4.501 254 HG12 VAL 30 2HG1 VAL 30 -5.088 -1.696 -4.420 255 HG13 VAL 30 3HG1 VAL 30 -5.359 -0.786 -2.936 256 HG21 VAL 30 3HG2 VAL 30 -7.714 -0.200 -2.211 257 HG22 VAL 30 1HG2 VAL 30 -9.094 -0.681 -3.201 258 HG23 VAL 30 2HG2 VAL 30 -8.030 0.619 -3.743 259 H GLN 31 H GLN 31 -6.422 -1.363 -7.579 260 HA GLN 31 HA GLN 31 -5.731 -4.158 -7.999 261 HB2 GLN 31 2HB GLN 31 -4.928 -1.664 -9.573 262 HB3 GLN 31 3HB GLN 31 -4.744 -3.329 -10.109 263 HG2 GLN 31 2HG GLN 31 -7.449 -2.087 -9.516 264 HG3 GLN 31 3HG GLN 31 -6.693 -2.023 -11.106 265 HE21 GLN 31 1HE2 GLN 31 -8.449 -3.180 -12.002 266 HE22 GLN 31 2HE2 GLN 31 -8.643 -4.880 -11.757 267 H TYR 32 H TYR 32 -4.061 -4.977 -6.842 268 HA TYR 32 HA TYR 32 -1.572 -3.489 -6.517 269 HB2 TYR 32 2HB TYR 32 -1.485 -3.749 -4.098 270 HB3 TYR 32 3HB TYR 32 -2.936 -2.865 -4.531 271 HD1 TYR 32 HD2 TYR 32 -1.708 -6.223 -3.362 272 HD2 TYR 32 HD1 TYR 32 -5.104 -3.664 -3.800 273 HE1 TYR 32 HE2 TYR 32 -3.028 -7.733 -1.948 274 HE2 TYR 32 HE1 TYR 32 -6.415 -5.178 -2.382 275 HH TYR 32 HH TYR 32 -6.401 -7.501 -1.674 276 H THR 33 H THR 33 0.079 -4.897 -5.340 277 HA THR 33 HA THR 33 -0.214 -7.786 -5.602 278 HB THR 33 HB THR 33 2.018 -6.316 -7.123 279 HG1 THR 33 HG1 THR 33 -0.482 -7.276 -7.941 280 HG21 THR 33 3HG2 THR 33 2.692 -8.563 -6.315 281 HG22 THR 33 1HG2 THR 33 2.543 -8.532 -8.075 282 HG23 THR 33 2HG2 THR 33 1.274 -9.270 -7.093 283 H GLU 34 H GLU 34 0.454 -8.337 -3.542 284 HA GLU 34 HA GLU 34 2.685 -6.928 -2.268 285 HB2 GLU 34 2HB GLU 34 0.547 -7.660 -1.023 286 HB3 GLU 34 3HB GLU 34 1.130 -9.312 -1.148 287 HG2 GLU 34 2HG GLU 34 2.747 -7.111 0.179 288 HG3 GLU 34 3HG GLU 34 1.567 -8.072 1.060 289 H THR 35 H THR 35 4.571 -7.469 -3.052 290 HA THR 35 HA THR 35 5.329 -10.220 -3.798 291 HB THR 35 HB THR 35 6.668 -7.535 -4.456 292 HG1 THR 35 HG1 THR 35 4.515 -8.736 -5.530 293 HG21 THR 35 3HG2 THR 35 7.209 -10.311 -5.588 294 HG22 THR 35 1HG2 THR 35 8.273 -9.420 -4.500 295 HG23 THR 35 2HG2 THR 35 7.966 -8.811 -6.128 296 H THR 36 H THR 36 6.963 -11.222 -2.584 297 HA THR 36 HA THR 36 8.056 -9.752 -0.260 298 HB THR 36 HB THR 36 8.165 -12.762 -0.789 299 HG1 THR 36 HG1 THR 36 6.051 -11.164 -0.145 300 HG21 THR 36 3HG2 THR 36 9.747 -11.903 0.944 301 HG22 THR 36 1HG2 THR 36 8.481 -12.905 1.655 302 HG23 THR 36 2HG2 THR 36 8.393 -11.148 1.793 303 H ARG 37 H ARG 37 10.223 -9.355 -0.088 304 HA ARG 37 HA ARG 37 12.151 -10.452 -2.016 305 HB2 ARG 37 2HB ARG 37 11.224 -8.366 -3.027 306 HB3 ARG 37 3HB ARG 37 11.707 -7.461 -1.594 307 HG2 ARG 37 2HG ARG 37 14.100 -8.149 -2.097 308 HG3 ARG 37 3HG ARG 37 13.517 -8.795 -3.633 309 HD2 ARG 37 2HD ARG 37 14.466 -6.539 -3.893 310 HD3 ARG 37 3HD ARG 37 12.741 -6.553 -4.288 311 HE ARG 37 HE ARG 37 12.904 -5.896 -1.603 312 HH11 ARG 37 1HH1 ARG 37 14.043 -4.443 -4.593 313 HH12 ARG 37 2HH1 ARG 37 13.972 -2.828 -3.968 314 HH21 ARG 37 1HH2 ARG 37 12.779 -3.794 -0.813 315 HH22 ARG 37 2HH2 ARG 37 13.252 -2.453 -1.810 316 H ASN 38 H ASN 38 13.874 -11.099 -0.925 317 HA ASN 38 HA ASN 38 15.436 -11.504 0.662 318 HB2 ASN 38 2HB ASN 38 15.207 -8.526 1.304 319 HB3 ASN 38 3HB ASN 38 16.524 -9.582 1.800 320 HD21 ASN 38 1HD2 ASN 38 15.209 -7.686 -0.731 321 HD22 ASN 38 2HD2 ASN 38 16.499 -7.908 -1.859 322 H GLY 39 H GLY 39 12.582 -11.750 1.380 323 HA2 GLY 39 2HA GLY 39 11.594 -12.670 3.269 324 HA3 GLY 39 3HA GLY 39 12.869 -12.011 4.278 325 H ARG 40 H ARG 40 12.273 -9.316 2.753 326 HA ARG 40 HA ARG 40 10.234 -8.401 4.647 327 HB2 ARG 40 2HB ARG 40 11.949 -6.801 2.683 328 HB3 ARG 40 3HB ARG 40 10.856 -6.121 3.889 329 HG2 ARG 40 2HG ARG 40 12.255 -7.249 5.665 330 HG3 ARG 40 3HG ARG 40 13.408 -7.671 4.395 331 HD2 ARG 40 2HD ARG 40 12.577 -4.870 5.213 332 HD3 ARG 40 3HD ARG 40 14.109 -5.656 5.592 333 HE ARG 40 HE ARG 40 13.827 -5.631 2.810 334 HH11 ARG 40 1HH1 ARG 40 14.262 -3.311 5.436 335 HH12 ARG 40 2HH1 ARG 40 15.076 -2.154 4.431 336 HH21 ARG 40 1HH2 ARG 40 14.906 -4.089 1.509 337 HH22 ARG 40 2HH2 ARG 40 15.440 -2.595 2.214 338 H ARG 41 H ARG 41 8.177 -8.106 4.063 339 HA ARG 41 HA ARG 41 7.174 -8.648 1.441 340 HB2 ARG 41 2HB ARG 41 5.738 -7.249 3.734 341 HB3 ARG 41 3HB ARG 41 4.984 -8.083 2.387 342 HG2 ARG 41 2HG ARG 41 6.612 -9.406 4.572 343 HG3 ARG 41 3HG ARG 41 4.854 -9.308 4.539 344 HD2 ARG 41 2HD ARG 41 4.887 -10.594 2.384 345 HD3 ARG 41 3HD ARG 41 6.634 -10.788 2.579 346 HE ARG 41 HE ARG 41 5.348 -11.659 4.922 347 HH11 ARG 41 1HH1 ARG 41 5.690 -12.703 1.583 348 HH12 ARG 41 2HH1 ARG 41 5.484 -14.382 1.962 349 HH21 ARG 41 1HH2 ARG 41 5.115 -13.856 5.400 350 HH22 ARG 41 2HH2 ARG 41 5.163 -15.027 4.118 351 H GLN 42 H GLN 42 6.359 -7.158 -0.104 352 HA GLN 42 HA GLN 42 6.318 -4.313 0.531 353 HB2 GLN 42 2HB GLN 42 7.416 -3.609 -1.549 354 HB3 GLN 42 3HB GLN 42 8.506 -4.537 -0.531 355 HG2 GLN 42 2HG GLN 42 8.320 -6.466 -1.998 356 HG3 GLN 42 3HG GLN 42 7.076 -5.664 -2.956 357 HE21 GLN 42 1HE2 GLN 42 7.666 -3.999 -4.370 358 HE22 GLN 42 2HE2 GLN 42 9.301 -3.752 -4.871 359 H LEU 43 H LEU 43 4.447 -3.457 -0.041 360 HA LEU 43 HA LEU 43 2.620 -5.005 -1.759 361 HB2 LEU 43 2HB LEU 43 2.226 -4.050 0.771 362 HB3 LEU 43 3HB LEU 43 1.638 -2.668 -0.122 363 HG LEU 43 HG LEU 43 0.555 -5.513 -0.285 364 HD11 LEU 43 1HD1 LEU 43 -1.464 -4.606 0.774 365 HD12 LEU 43 2HD1 LEU 43 -0.694 -3.024 0.917 366 HD13 LEU 43 3HD1 LEU 43 -0.048 -4.404 1.807 367 HD21 LEU 43 3HD2 LEU 43 -0.371 -3.037 -1.754 368 HD22 LEU 43 1HD2 LEU 43 -1.239 -4.570 -1.692 369 HD23 LEU 43 2HD2 LEU 43 0.342 -4.488 -2.461 370 H THR 44 H THR 44 2.712 -4.342 -3.776 371 HA THR 44 HA THR 44 3.353 -1.614 -4.592 372 HB THR 44 HB THR 44 2.937 -4.204 -6.178 373 HG1 THR 44 HG1 THR 44 4.791 -4.104 -4.751 374 HG21 THR 44 3HG2 THR 44 4.027 -3.046 -8.066 375 HG22 THR 44 1HG2 THR 44 4.082 -1.547 -7.133 376 HG23 THR 44 2HG2 THR 44 2.529 -2.232 -7.618 377 H ILE 45 H ILE 45 1.578 -0.262 -4.518 378 HA ILE 45 HA ILE 45 -1.140 -1.288 -5.166 379 HB ILE 45 HB ILE 45 -0.310 1.200 -3.583 380 HG12 ILE 45 2HG1 ILE 45 -1.484 -1.453 -2.624 381 HG13 ILE 45 3HG1 ILE 45 0.162 -0.892 -2.358 382 HG21 ILE 45 1HG2 ILE 45 -3.114 0.099 -4.059 383 HG22 ILE 45 2HG2 ILE 45 -2.452 1.577 -4.760 384 HG23 ILE 45 3HG2 ILE 45 -2.706 1.467 -3.019 385 HD11 ILE 45 3HD1 ILE 45 -1.156 -0.645 -0.375 386 HD12 ILE 45 1HD1 ILE 45 -2.339 0.340 -1.232 387 HD13 ILE 45 2HD1 ILE 45 -0.695 0.942 -0.991 388 H ARG 46 H ARG 46 -2.259 -0.393 -6.865 389 HA ARG 46 HA ARG 46 -0.964 1.761 -8.454 390 HB2 ARG 46 2HB ARG 46 -2.514 -0.671 -9.468 391 HB3 ARG 46 3HB ARG 46 -1.796 0.587 -10.472 392 HG2 ARG 46 2HG ARG 46 0.449 -0.096 -9.807 393 HG3 ARG 46 3HG ARG 46 -0.212 -1.272 -8.668 394 HD2 ARG 46 2HD ARG 46 -1.211 -2.528 -10.548 395 HD3 ARG 46 3HD ARG 46 -0.543 -1.353 -11.689 396 HE ARG 46 HE ARG 46 1.604 -2.281 -10.223 397 HH11 ARG 46 1HH1 ARG 46 -0.801 -3.751 -12.327 398 HH12 ARG 46 2HH1 ARG 46 0.260 -5.018 -12.858 399 HH21 ARG 46 1HH2 ARG 46 3.002 -3.919 -10.955 400 HH22 ARG 46 2HH2 ARG 46 2.415 -5.110 -12.079 401 H SER 47 H SER 47 -2.247 3.411 -9.062 402 HA SER 47 HA SER 47 -5.105 3.235 -9.360 403 HB2 SER 47 2HB SER 47 -5.045 3.528 -6.918 404 HB3 SER 47 3HB SER 47 -3.943 4.894 -7.078 405 HG SER 47 HG SER 47 -6.683 4.736 -7.703 406 H ASN 48 H ASN 48 -5.744 4.666 -10.869 407 HA ASN 48 HA ASN 48 -3.773 6.539 -12.006 408 HB2 ASN 48 2HB ASN 48 -5.156 6.509 -14.015 409 HB3 ASN 48 3HB ASN 48 -4.882 4.852 -13.500 410 HD21 ASN 48 1HD2 ASN 48 -6.936 5.716 -15.236 411 HD22 ASN 48 2HD2 ASN 48 -8.453 5.370 -14.488 412 H ASP 49 H ASP 49 -5.815 6.827 -9.594 413 HA ASP 49 HA ASP 49 -6.852 9.510 -10.311 414 HB2 ASP 49 2HB ASP 49 -8.709 7.903 -10.148 415 HB3 ASP 49 3HB ASP 49 -8.149 7.351 -8.572 416 H LYS 50 H LYS 50 -5.955 11.078 -9.074 417 HA LYS 50 HA LYS 50 -4.011 10.420 -7.106 418 HB2 LYS 50 2HB LYS 50 -4.408 12.635 -8.759 419 HB3 LYS 50 3HB LYS 50 -4.748 13.303 -7.174 420 HG2 LYS 50 2HG LYS 50 -2.185 11.926 -8.038 421 HG3 LYS 50 3HG LYS 50 -2.404 13.656 -7.840 422 HD2 LYS 50 2HD LYS 50 -2.688 11.700 -5.524 423 HD3 LYS 50 3HD LYS 50 -1.137 12.393 -5.989 424 HE2 LYS 50 2HE LYS 50 -2.016 13.674 -4.150 425 HE3 LYS 50 3HE LYS 50 -2.093 14.674 -5.596 426 HZ1 LYS 50 3HZ LYS 50 -4.393 13.174 -4.459 427 HZ2 LYS 50 1HZ LYS 50 -4.440 14.269 -5.749 428 HZ3 LYS 50 2HZ LYS 50 -4.087 14.814 -4.189 429 H ASN 51 H ASN 51 -7.408 11.121 -6.835 430 HA ASN 51 HA ASN 51 -7.381 12.034 -4.096 431 HB2 ASN 51 2HB ASN 51 -9.752 10.734 -5.531 432 HB3 ASN 51 3HB ASN 51 -9.807 11.756 -4.099 433 HD21 ASN 51 1HD2 ASN 51 -9.551 11.663 -7.529 434 HD22 ASN 51 2HD2 ASN 51 -9.692 13.363 -7.807 435 H GLU 52 H GLU 52 -7.896 8.903 -5.728 436 HA GLU 52 HA GLU 52 -8.654 7.565 -3.293 437 HB2 GLU 52 2HB GLU 52 -9.462 7.050 -5.747 438 HB3 GLU 52 3HB GLU 52 -7.990 6.091 -5.867 439 HG2 GLU 52 2HG GLU 52 -9.870 4.659 -5.257 440 HG3 GLU 52 3HG GLU 52 -8.720 4.734 -3.923 441 H VAL 53 H VAL 53 -5.788 7.587 -5.398 442 HA VAL 53 HA VAL 53 -4.273 5.670 -3.990 443 HB VAL 53 HB VAL 53 -3.747 6.504 -6.308 444 HG11 VAL 53 1HG1 VAL 53 -2.573 8.925 -4.926 445 HG12 VAL 53 2HG1 VAL 53 -3.996 8.905 -5.962 446 HG13 VAL 53 3HG1 VAL 53 -2.415 8.531 -6.641 447 HG21 VAL 53 3HG2 VAL 53 -2.103 5.149 -5.098 448 HG22 VAL 53 1HG2 VAL 53 -1.410 6.600 -4.371 449 HG23 VAL 53 2HG2 VAL 53 -1.292 6.341 -6.115 450 H ASP 54 H ASP 54 -4.698 9.159 -3.516 451 HA ASP 54 HA ASP 54 -2.724 9.500 -1.465 452 HB2 ASP 54 2HB ASP 54 -3.518 11.383 -2.834 453 HB3 ASP 54 3HB ASP 54 -5.153 11.176 -2.222 454 H ARG 55 H ARG 55 -6.145 8.689 -1.531 455 HA ARG 55 HA ARG 55 -6.763 8.863 1.220 456 HB2 ARG 55 2HB ARG 55 -8.472 8.746 -0.576 457 HB3 ARG 55 3HB ARG 55 -7.976 7.105 -0.966 458 HG2 ARG 55 2HG ARG 55 -10.061 7.094 0.310 459 HG3 ARG 55 3HG ARG 55 -8.771 6.332 1.245 460 HD2 ARG 55 2HD ARG 55 -8.492 8.399 2.566 461 HD3 ARG 55 3HD ARG 55 -9.754 9.191 1.612 462 HE ARG 55 HE ARG 55 -11.065 7.062 2.523 463 HH11 ARG 55 1HH1 ARG 55 -9.048 9.353 4.262 464 HH12 ARG 55 2HH1 ARG 55 -9.919 9.160 5.752 465 HH21 ARG 55 1HH2 ARG 55 -12.179 6.810 4.454 466 HH22 ARG 55 2HH2 ARG 55 -11.703 7.712 5.859 467 H ILE 56 H ILE 56 -5.272 6.352 -0.728 468 HA ILE 56 HA ILE 56 -5.108 4.376 1.394 469 HB ILE 56 HB ILE 56 -3.841 4.468 -1.384 470 HG12 ILE 56 2HG1 ILE 56 -6.287 2.893 -0.425 471 HG13 ILE 56 3HG1 ILE 56 -6.364 4.377 -1.366 472 HG21 ILE 56 1HG2 ILE 56 -3.411 2.044 -1.097 473 HG22 ILE 56 2HG2 ILE 56 -3.991 2.141 0.566 474 HG23 ILE 56 3HG2 ILE 56 -2.530 3.010 0.091 475 HD11 ILE 56 3HD1 ILE 56 -6.726 2.462 -2.774 476 HD12 ILE 56 1HD1 ILE 56 -5.191 1.752 -2.272 477 HD13 ILE 56 2HD1 ILE 56 -5.210 3.246 -3.215 478 H LEU 57 H LEU 57 -3.044 6.857 -0.031 479 HA LEU 57 HA LEU 57 -0.539 6.025 0.957 480 HB2 LEU 57 2HB LEU 57 -0.914 7.632 -0.931 481 HB3 LEU 57 3HB LEU 57 -1.449 8.834 0.232 482 HG LEU 57 HG LEU 57 0.857 8.729 1.285 483 HD11 LEU 57 1HD1 LEU 57 2.715 7.782 -0.015 484 HD12 LEU 57 2HD1 LEU 57 1.555 7.050 -1.128 485 HD13 LEU 57 3HD1 LEU 57 1.589 6.556 0.568 486 HD21 LEU 57 3HD2 LEU 57 1.938 10.132 -0.401 487 HD22 LEU 57 1HD2 LEU 57 0.229 10.540 -0.243 488 HD23 LEU 57 2HD2 LEU 57 0.784 9.586 -1.622 489 H GLU 58 H GLU 58 -2.919 8.336 2.246 490 HA GLU 58 HA GLU 58 -1.537 9.032 4.647 491 HB2 GLU 58 2HB GLU 58 -3.790 9.866 5.409 492 HB3 GLU 58 3HB GLU 58 -3.348 10.458 3.808 493 HG2 GLU 58 2HG GLU 58 -4.812 8.790 2.751 494 HG3 GLU 58 3HG GLU 58 -5.200 8.106 4.323 495 H GLU 59 H GLU 59 -3.606 6.406 3.676 496 HA GLU 59 HA GLU 59 -4.522 5.543 6.207 497 HB2 GLU 59 2HB GLU 59 -5.554 5.036 3.907 498 HB3 GLU 59 3HB GLU 59 -4.312 3.808 3.713 499 HG2 GLU 59 2HG GLU 59 -6.368 2.764 4.459 500 HG3 GLU 59 3HG GLU 59 -5.166 2.654 5.747 501 H VAL 60 H VAL 60 -1.996 4.208 4.027 502 HA VAL 60 HA VAL 60 -1.120 2.158 5.715 503 HB VAL 60 HB VAL 60 -0.448 2.074 3.412 504 HG11 VAL 60 1HG1 VAL 60 1.149 4.626 3.810 505 HG12 VAL 60 2HG1 VAL 60 -0.342 4.467 2.882 506 HG13 VAL 60 3HG1 VAL 60 1.117 3.638 2.341 507 HG21 VAL 60 3HG2 VAL 60 1.980 1.628 3.602 508 HG22 VAL 60 1HG2 VAL 60 1.099 1.003 4.996 509 HG23 VAL 60 2HG2 VAL 60 2.029 2.498 5.134 510 H ARG 61 H ARG 61 -0.110 5.536 5.530 511 HA ARG 61 HA ARG 61 2.166 5.362 7.193 512 HB2 ARG 61 2HB ARG 61 0.383 7.705 6.426 513 HB3 ARG 61 3HB ARG 61 1.845 7.893 7.384 514 HG2 ARG 61 2HG ARG 61 3.191 6.972 5.511 515 HG3 ARG 61 3HG ARG 61 1.720 6.818 4.544 516 HD2 ARG 61 2HD ARG 61 2.974 8.860 3.950 517 HD3 ARG 61 3HD ARG 61 1.391 9.257 4.623 518 HE ARG 61 HE ARG 61 3.351 9.262 6.671 519 HH11 ARG 61 1HH1 ARG 61 2.332 11.257 3.937 520 HH12 ARG 61 2HH1 ARG 61 2.935 12.723 4.647 521 HH21 ARG 61 1HH2 ARG 61 4.111 11.191 7.570 522 HH22 ARG 61 2HH2 ARG 61 3.943 12.686 6.695 523 H ARG 62 H ARG 62 -1.288 5.876 7.955 524 HA ARG 62 HA ARG 62 -0.737 6.479 10.760 525 HB2 ARG 62 2HB ARG 62 -3.128 6.780 11.054 526 HB3 ARG 62 3HB ARG 62 -2.637 7.604 9.581 527 HG2 ARG 62 2HG ARG 62 -3.585 5.838 8.208 528 HG3 ARG 62 3HG ARG 62 -3.954 4.866 9.632 529 HD2 ARG 62 2HD ARG 62 -5.969 5.946 8.779 530 HD3 ARG 62 3HD ARG 62 -5.563 6.582 10.375 531 HE ARG 62 HE ARG 62 -4.765 8.591 9.342 532 HH11 ARG 62 1HH1 ARG 62 -6.531 6.484 7.124 533 HH12 ARG 62 2HH1 ARG 62 -6.873 7.773 6.009 534 HH21 ARG 62 1HH2 ARG 62 -5.213 10.227 7.897 535 HH22 ARG 62 2HH2 ARG 62 -6.122 9.899 6.452 536 H LYS 63 H LYS 63 -1.766 3.692 8.835 537 HA LYS 63 HA LYS 63 -2.775 2.146 11.047 538 HB2 LYS 63 2HB LYS 63 -1.984 1.266 8.229 539 HB3 LYS 63 3HB LYS 63 -2.781 0.225 9.399 540 HG2 LYS 63 2HG LYS 63 -4.061 2.794 8.427 541 HG3 LYS 63 3HG LYS 63 -4.199 1.290 7.527 542 HD2 LYS 63 2HD LYS 63 -6.194 1.510 8.813 543 HD3 LYS 63 3HD LYS 63 -5.241 0.246 9.585 544 HE2 LYS 63 2HE LYS 63 -4.552 1.814 11.340 545 HE3 LYS 63 3HE LYS 63 -5.412 3.128 10.536 546 HZ1 LYS 63 3HZ LYS 63 -6.616 2.110 12.427 547 HZ2 LYS 63 1HZ LYS 63 -6.732 0.671 11.549 548 HZ3 LYS 63 2HZ LYS 63 -7.481 2.074 10.976 549 H VAL 64 H VAL 64 0.222 2.285 9.187 550 HA VAL 64 HA VAL 64 1.663 0.789 11.255 551 HB VAL 64 HB VAL 64 2.856 -0.572 9.450 552 HG11 VAL 64 1HG1 VAL 64 1.046 -2.279 9.268 553 HG12 VAL 64 2HG1 VAL 64 -0.121 -1.093 9.851 554 HG13 VAL 64 3HG1 VAL 64 1.191 -1.629 10.902 555 HG21 VAL 64 3HG2 VAL 64 1.706 -0.909 7.278 556 HG22 VAL 64 1HG2 VAL 64 2.200 0.773 7.478 557 HG23 VAL 64 2HG2 VAL 64 0.513 0.319 7.712 558 HA PRO 65 HA PRO 65 4.012 4.658 10.200 559 HB2 PRO 65 2HB PRO 65 5.214 4.826 12.698 560 HB3 PRO 65 3HB PRO 65 3.598 5.467 12.335 561 HG2 PRO 65 2HG PRO 65 4.328 2.835 13.598 562 HG3 PRO 65 3HG PRO 65 3.105 4.023 14.111 563 HD2 PRO 65 2HD PRO 65 2.390 1.833 12.743 564 HD3 PRO 65 3HD PRO 65 1.599 3.396 12.418 565 H ASN 66 H ASN 66 5.073 1.507 11.298 566 HA ASN 66 HA ASN 66 7.922 2.001 10.859 567 HB2 ASN 66 2HB ASN 66 6.444 -0.569 11.587 568 HB3 ASN 66 3HB ASN 66 8.196 -0.413 11.490 569 HD21 ASN 66 1HD2 ASN 66 6.572 -1.185 13.787 570 HD22 ASN 66 2HD2 ASN 66 6.930 -0.037 15.030 571 H ALA 67 H ALA 67 5.467 1.617 8.742 572 HA ALA 67 HA ALA 67 6.834 -0.162 6.856 573 HB1 ALA 67 3HB ALA 67 4.390 -0.330 7.048 574 HB2 ALA 67 1HB ALA 67 4.853 0.196 5.430 575 HB3 ALA 67 2HB ALA 67 4.212 1.364 6.590 576 H ARG 68 H ARG 68 8.450 0.704 5.706 577 HA ARG 68 HA ARG 68 8.845 3.423 5.036 578 HB2 ARG 68 2HB ARG 68 10.692 1.766 5.086 579 HB3 ARG 68 3HB ARG 68 9.958 0.881 3.755 580 HG2 ARG 68 2HG ARG 68 11.885 2.261 3.018 581 HG3 ARG 68 3HG ARG 68 10.384 2.742 2.220 582 HD2 ARG 68 2HD ARG 68 10.147 4.631 3.783 583 HD3 ARG 68 3HD ARG 68 11.629 4.147 4.615 584 HE ARG 68 HE ARG 68 12.412 4.494 2.031 585 HH11 ARG 68 1HH1 ARG 68 10.737 6.572 4.331 586 HH12 ARG 68 2HH1 ARG 68 11.376 8.035 3.653 587 HH21 ARG 68 1HH2 ARG 68 13.244 6.435 1.163 588 HH22 ARG 68 2HH2 ARG 68 12.787 7.955 1.867 589 H VAL 69 H VAL 69 7.210 4.397 3.937 590 HA VAL 69 HA VAL 69 5.822 3.110 1.699 591 HB VAL 69 HB VAL 69 5.385 5.855 2.980 592 HG11 VAL 69 1HG1 VAL 69 4.501 5.743 0.697 593 HG12 VAL 69 2HG1 VAL 69 3.180 5.797 1.864 594 HG13 VAL 69 3HG1 VAL 69 3.610 4.270 1.090 595 HG21 VAL 69 3HG2 VAL 69 3.914 3.239 3.513 596 HG22 VAL 69 1HG2 VAL 69 3.485 4.815 4.185 597 HG23 VAL 69 2HG2 VAL 69 5.016 4.057 4.623 598 H ARG 70 H ARG 70 6.139 3.682 -0.423 599 HA ARG 70 HA ARG 70 7.833 5.994 -1.108 600 HB2 ARG 70 2HB ARG 70 8.972 3.503 -1.019 601 HB3 ARG 70 3HB ARG 70 8.343 3.447 -2.656 602 HG2 ARG 70 2HG ARG 70 10.304 5.479 -1.537 603 HG3 ARG 70 3HG ARG 70 10.677 4.164 -2.647 604 HD2 ARG 70 2HD ARG 70 9.332 5.239 -4.402 605 HD3 ARG 70 3HD ARG 70 8.862 6.519 -3.279 606 HE ARG 70 HE ARG 70 11.687 6.345 -3.494 607 HH11 ARG 70 1HH1 ARG 70 8.866 7.560 -5.222 608 HH12 ARG 70 2HH1 ARG 70 9.772 8.780 -6.062 609 HH21 ARG 70 1HH2 ARG 70 12.853 7.924 -4.625 610 HH22 ARG 70 2HH2 ARG 70 12.028 8.983 -5.725 611 H GLU 71 H GLU 71 6.315 7.173 -2.154 612 HA GLU 71 HA GLU 71 4.423 6.057 -4.048 613 HB2 GLU 71 2HB GLU 71 3.756 7.954 -2.619 614 HB3 GLU 71 3HB GLU 71 5.058 8.943 -3.278 615 HG2 GLU 71 2HG GLU 71 3.904 8.600 -5.588 616 HG3 GLU 71 3HG GLU 71 2.523 8.007 -4.675 617 H THR 72 H THR 72 4.848 5.803 -6.158 618 HA THR 72 HA THR 72 6.845 7.494 -7.546 619 HB THR 72 HB THR 72 7.354 5.519 -9.026 620 HG1 THR 72 HG1 THR 72 5.302 4.408 -8.335 621 HG21 THR 72 3HG2 THR 72 8.772 4.257 -7.438 622 HG22 THR 72 1HG2 THR 72 7.912 4.980 -6.079 623 HG23 THR 72 2HG2 THR 72 8.888 5.993 -7.148 624 H GLU 73 H GLU 73 5.850 8.649 -9.167 625 HA GLU 73 HA GLU 73 3.229 7.824 -10.188 626 HB2 GLU 73 2HB GLU 73 3.640 10.241 -9.720 627 HB3 GLU 73 3HB GLU 73 4.898 10.259 -10.957 628 HG2 GLU 73 2HG GLU 73 3.107 9.533 -12.635 629 HG3 GLU 73 3HG GLU 73 1.915 9.808 -11.365 630 H THR 74 H THR 74 3.476 6.115 -11.444 631 HA THR 74 HA THR 74 5.505 5.883 -13.529 632 HB THR 74 HB THR 74 4.418 3.605 -13.835 633 HG1 THR 74 HG1 THR 74 2.442 4.672 -12.482 634 HG21 THR 74 3HG2 THR 74 6.399 3.887 -12.343 635 HG22 THR 74 1HG2 THR 74 5.307 2.643 -11.729 636 HG23 THR 74 2HG2 THR 74 5.326 4.246 -10.989 637 H GLY 75 H GLY 75 5.002 7.133 -15.281 638 HA2 GLY 75 2HA GLY 75 3.005 6.439 -17.112 639 HA3 GLY 75 3HA GLY 75 2.400 7.813 -16.186 640 H SER 76 H SER 76 5.646 6.986 -17.314 641 HA SER 76 HA SER 76 6.249 9.640 -18.170 642 HB2 SER 76 2HB SER 76 7.755 7.027 -18.639 643 HB3 SER 76 3HB SER 76 8.408 8.651 -18.882 644 HG SER 76 HG SER 76 7.889 8.989 -16.598 645 H LEU 77 H LEU 77 4.762 10.203 -19.735 646 HA LEU 77 HA LEU 77 5.093 9.036 -22.431 647 HB2 LEU 77 2HB LEU 77 2.457 9.743 -21.060 648 HB3 LEU 77 3HB LEU 77 2.593 9.464 -22.790 649 HG LEU 77 HG LEU 77 3.188 7.378 -20.647 650 HD11 LEU 77 1HD1 LEU 77 0.748 7.630 -22.439 651 HD12 LEU 77 2HD1 LEU 77 0.799 7.912 -20.698 652 HD13 LEU 77 3HD1 LEU 77 1.093 6.297 -21.332 653 HD21 LEU 77 3HD2 LEU 77 3.252 5.768 -22.517 654 HD22 LEU 77 1HD2 LEU 77 4.503 7.001 -22.676 655 HD23 LEU 77 2HD2 LEU 77 3.048 7.090 -23.669 656 H GLU 78 H GLU 78 5.090 10.538 -24.054 657 HA GLU 78 HA GLU 78 4.362 13.336 -23.549 658 HB2 GLU 78 2HB GLU 78 7.120 12.347 -24.084 659 HB3 GLU 78 3HB GLU 78 6.626 13.597 -25.212 660 HG2 GLU 78 2HG GLU 78 6.686 13.840 -22.190 661 HG3 GLU 78 3HG GLU 78 7.828 14.565 -23.327 662 H HIS 79 H HIS 79 3.639 14.410 -25.343 663 HA HIS 79 HA HIS 79 2.391 12.989 -27.397 664 HB2 HIS 79 2HB HIS 79 2.108 15.309 -28.470 665 HB3 HIS 79 3HB HIS 79 1.483 15.128 -26.840 666 HD1 HIS 79 HD1 HIS 79 2.204 16.856 -25.188 667 HD2 HIS 79 HD2 HIS 79 4.689 16.801 -28.524 668 HE1 HIS 79 HE1 HIS 79 3.713 18.840 -24.944 669 HE2 HIS 79 HE2 HIS 79 5.265 18.738 -26.912 670 H HIS 80 H HIS 80 3.109 12.172 -29.298 671 HA HIS 80 HA HIS 80 5.953 12.328 -29.883 672 HB2 HIS 80 2HB HIS 80 5.520 10.465 -31.477 673 HB3 HIS 80 3HB HIS 80 4.959 10.128 -29.851 674 HD1 HIS 80 HD1 HIS 80 2.533 9.492 -29.570 675 HD2 HIS 80 HD2 HIS 80 3.400 10.838 -33.404 676 HE1 HIS 80 HE1 HIS 80 0.518 8.929 -30.957 677 HE2 HIS 80 HE2 HIS 80 1.089 9.705 -33.273 678 H HIS 81 H HIS 81 5.126 14.741 -30.333 679 HA HIS 81 HA HIS 81 5.640 15.120 -33.173 680 HB2 HIS 81 2HB HIS 81 3.213 16.215 -31.724 681 HB3 HIS 81 3HB HIS 81 3.971 17.207 -32.963 682 HD1 HIS 81 HD1 HIS 81 1.230 15.103 -32.726 683 HD2 HIS 81 HD2 HIS 81 4.394 15.278 -35.409 684 HE1 HIS 81 HE1 HIS 81 0.427 13.943 -34.791 685 HE2 HIS 81 HE2 HIS 81 2.384 13.981 -36.351 686 H HIS 82 H HIS 82 6.981 16.743 -33.571 687 HA HIS 82 HA HIS 82 7.954 18.470 -31.364 688 HB2 HIS 82 2HB HIS 82 9.546 17.152 -33.625 689 HB3 HIS 82 3HB HIS 82 10.213 18.331 -32.499 690 HD1 HIS 82 HD1 HIS 82 10.958 15.165 -32.944 691 HD2 HIS 82 HD2 HIS 82 9.003 16.907 -29.713 692 HE1 HIS 82 HE1 HIS 82 11.352 13.622 -31.002 693 HE2 HIS 82 HE2 HIS 82 10.203 14.715 -29.059 694 H HIS 83 H HIS 83 8.846 20.553 -32.124 695 HA HIS 83 HA HIS 83 7.308 21.692 -34.320 696 HB2 HIS 83 2HB HIS 83 8.209 23.860 -33.630 697 HB3 HIS 83 3HB HIS 83 7.612 22.992 -32.226 698 HD1 HIS 83 HD1 HIS 83 9.214 22.730 -30.306 699 HD2 HIS 83 HD2 HIS 83 11.135 23.937 -33.788 700 HE1 HIS 83 HE1 HIS 83 11.551 23.329 -29.618 701 HE2 HIS 83 HE2 HIS 83 12.731 23.888 -31.762 702 H HIS 84 H HIS 84 8.488 23.209 -35.874 703 HA HIS 84 HA HIS 84 10.510 21.646 -37.290 704 HB2 HIS 84 2HB HIS 84 8.961 24.147 -38.117 705 HB3 HIS 84 3HB HIS 84 10.152 23.344 -39.138 706 HD1 HIS 84 HD1 HIS 84 9.223 21.654 -40.684 707 HD2 HIS 84 HD2 HIS 84 6.719 22.284 -37.432 708 HE1 HIS 84 HE1 HIS 84 7.201 20.249 -41.109 709 HE2 HIS 84 HE2 HIS 84 5.806 20.482 -39.044 Start of MODEL 5 1 H1 MET 1 1H MET 1 1.250 13.129 -12.371 2 H2 MET 1 2H MET 1 1.097 14.725 -12.906 3 H3 MET 1 3H MET 1 2.295 13.720 -13.555 4 HA MET 1 HA MET 1 -0.616 13.274 -13.817 5 HB2 MET 1 2HB MET 1 0.070 15.266 -15.079 6 HB3 MET 1 3HB MET 1 1.411 14.390 -15.800 7 HG2 MET 1 2HG MET 1 -0.195 12.943 -17.008 8 HG3 MET 1 3HG MET 1 -1.532 13.847 -16.290 9 HE1 MET 1 3HE MET 1 -1.015 13.376 -19.490 10 HE2 MET 1 1HE MET 1 -1.454 14.967 -20.108 11 HE3 MET 1 2HE MET 1 -2.436 14.209 -18.856 12 H GLY 2 H GLY 2 -0.932 11.147 -13.953 13 HA2 GLY 2 2HA GLY 2 -0.420 9.373 -15.808 14 HA3 GLY 2 3HA GLY 2 1.134 9.316 -14.979 15 H GLN 3 H GLN 3 0.877 7.207 -14.355 16 HA GLN 3 HA GLN 3 -1.283 6.430 -12.517 17 HB2 GLN 3 2HB GLN 3 -0.604 4.856 -14.315 18 HB3 GLN 3 3HB GLN 3 1.052 4.869 -13.722 19 HG2 GLN 3 2HG GLN 3 0.189 3.876 -11.560 20 HG3 GLN 3 3HG GLN 3 -1.381 3.687 -12.339 21 HE21 GLN 3 1HE2 GLN 3 1.974 2.674 -12.362 22 HE22 GLN 3 2HE2 GLN 3 1.731 1.223 -13.266 23 H TRP 4 H TRP 4 -0.988 6.714 -10.379 24 HA TRP 4 HA TRP 4 1.689 7.167 -9.261 25 HB2 TRP 4 2HB TRP 4 -1.090 7.467 -8.027 26 HB3 TRP 4 3HB TRP 4 0.427 7.890 -7.229 27 HD1 TRP 4 HD1 TRP 4 1.837 9.976 -8.339 28 HE1 TRP 4 HE1 TRP 4 1.027 12.023 -9.651 29 HE3 TRP 4 HE3 TRP 4 -2.847 8.341 -9.603 30 HZ2 TRP 4 HZ2 TRP 4 -1.270 12.858 -11.037 31 HZ3 TRP 4 HZ3 TRP 4 -4.290 9.834 -10.930 32 HH2 TRP 4 HH2 TRP 4 -3.516 12.048 -11.632 33 H GLN 5 H GLN 5 2.694 5.764 -7.897 34 HA GLN 5 HA GLN 5 1.421 3.121 -7.426 35 HB2 GLN 5 2HB GLN 5 2.921 2.960 -9.340 36 HB3 GLN 5 3HB GLN 5 4.217 3.760 -8.459 37 HG2 GLN 5 2HG GLN 5 4.363 1.823 -6.929 38 HG3 GLN 5 3HG GLN 5 3.082 1.013 -7.834 39 HE21 GLN 5 1HE2 GLN 5 6.405 2.114 -7.924 40 HE22 GLN 5 2HE2 GLN 5 6.890 1.165 -9.283 41 H ILE 6 H ILE 6 1.214 2.895 -5.265 42 HA ILE 6 HA ILE 6 3.111 4.070 -3.341 43 HB ILE 6 HB ILE 6 0.551 2.466 -2.775 44 HG12 ILE 6 2HG1 ILE 6 0.779 5.510 -2.870 45 HG13 ILE 6 3HG1 ILE 6 0.042 4.521 -4.126 46 HG21 ILE 6 1HG2 ILE 6 2.114 2.616 -0.858 47 HG22 ILE 6 2HG2 ILE 6 0.618 3.492 -0.536 48 HG23 ILE 6 3HG2 ILE 6 2.082 4.381 -0.963 49 HD11 ILE 6 3HD1 ILE 6 -1.640 5.502 -2.710 50 HD12 ILE 6 1HD1 ILE 6 -0.920 4.763 -1.280 51 HD13 ILE 6 2HD1 ILE 6 -1.644 3.749 -2.532 52 H LYS 7 H LYS 7 4.919 2.722 -3.062 53 HA LYS 7 HA LYS 7 4.458 -0.185 -2.730 54 HB2 LYS 7 2HB LYS 7 7.041 1.295 -3.361 55 HB3 LYS 7 3HB LYS 7 6.929 -0.431 -3.041 56 HG2 LYS 7 2HG LYS 7 5.339 -0.608 -4.998 57 HG3 LYS 7 3HG LYS 7 5.699 1.082 -5.364 58 HD2 LYS 7 2HD LYS 7 7.771 -1.123 -5.195 59 HD3 LYS 7 3HD LYS 7 7.060 -0.549 -6.704 60 HE2 LYS 7 2HE LYS 7 8.054 1.648 -6.380 61 HE3 LYS 7 3HE LYS 7 8.621 1.194 -4.773 62 HZ1 LYS 7 3HZ LYS 7 10.442 1.011 -6.287 63 HZ2 LYS 7 1HZ LYS 7 9.533 0.081 -7.365 64 HZ3 LYS 7 2HZ LYS 7 9.982 -0.558 -5.871 65 H ILE 8 H ILE 8 4.203 -0.759 -0.758 66 HA ILE 8 HA ILE 8 5.242 0.751 1.553 67 HB ILE 8 HB ILE 8 3.197 -1.540 1.415 68 HG12 ILE 8 2HG1 ILE 8 2.511 1.432 1.656 69 HG13 ILE 8 3HG1 ILE 8 2.545 0.588 0.114 70 HG21 ILE 8 1HG2 ILE 8 2.496 -0.789 3.668 71 HG22 ILE 8 2HG2 ILE 8 3.763 0.438 3.656 72 HG23 ILE 8 3HG2 ILE 8 4.195 -1.272 3.646 73 HD11 ILE 8 3HD1 ILE 8 0.728 -0.064 2.432 74 HD12 ILE 8 1HD1 ILE 8 0.770 -0.900 0.876 75 HD13 ILE 8 2HD1 ILE 8 0.291 0.793 0.953 76 H TYR 9 H TYR 9 6.780 -0.235 2.940 77 HA TYR 9 HA TYR 9 7.552 -3.059 2.442 78 HB2 TYR 9 2HB TYR 9 9.453 -0.688 2.744 79 HB3 TYR 9 3HB TYR 9 9.968 -2.366 2.801 80 HD1 TYR 9 HD2 TYR 9 9.952 -3.752 0.733 81 HD2 TYR 9 HD1 TYR 9 8.900 0.394 0.604 82 HE1 TYR 9 HE2 TYR 9 10.191 -3.765 -1.711 83 HE2 TYR 9 HE1 TYR 9 9.130 0.369 -1.850 84 HH TYR 9 HH TYR 9 9.437 -2.545 -3.643 85 H SER 10 H SER 10 6.930 -4.049 4.284 86 HA SER 10 HA SER 10 8.179 -3.133 6.807 87 HB2 SER 10 2HB SER 10 5.365 -4.307 6.615 88 HB3 SER 10 3HB SER 10 6.209 -3.877 8.103 89 HG SER 10 HG SER 10 6.249 -1.743 6.560 90 H GLU 11 H GLU 11 9.475 -4.647 7.559 91 HA GLU 11 HA GLU 11 9.862 -7.234 6.557 92 HB2 GLU 11 2HB GLU 11 11.230 -7.579 8.662 93 HB3 GLU 11 3HB GLU 11 11.633 -6.119 7.762 94 HG2 GLU 11 2HG GLU 11 10.348 -4.751 9.342 95 HG3 GLU 11 3HG GLU 11 9.854 -6.194 10.220 96 H ASN 12 H ASN 12 7.736 -6.062 9.064 97 HA ASN 12 HA ASN 12 6.823 -8.715 9.854 98 HB2 ASN 12 2HB ASN 12 7.086 -6.892 11.534 99 HB3 ASN 12 3HB ASN 12 5.853 -5.950 10.698 100 HD21 ASN 12 1HD2 ASN 12 4.599 -5.951 12.647 101 HD22 ASN 12 2HD2 ASN 12 3.724 -7.351 13.145 102 H GLU 13 H GLU 13 5.089 -9.692 9.005 103 HA GLU 13 HA GLU 13 3.636 -8.486 6.784 104 HB2 GLU 13 2HB GLU 13 2.710 -10.873 6.566 105 HB3 GLU 13 3HB GLU 13 4.428 -10.643 6.279 106 HG2 GLU 13 2HG GLU 13 4.166 -12.677 7.511 107 HG3 GLU 13 3HG GLU 13 4.888 -11.488 8.588 108 H ARG 14 H ARG 14 3.149 -9.014 10.123 109 HA ARG 14 HA ARG 14 0.392 -9.372 10.407 110 HB2 ARG 14 2HB ARG 14 2.420 -9.277 12.146 111 HB3 ARG 14 3HB ARG 14 1.965 -7.589 12.294 112 HG2 ARG 14 2HG ARG 14 0.945 -8.811 14.083 113 HG3 ARG 14 3HG ARG 14 -0.342 -8.344 12.964 114 HD2 ARG 14 2HD ARG 14 -0.493 -10.718 13.810 115 HD3 ARG 14 3HD ARG 14 -0.451 -10.572 12.052 116 HE ARG 14 HE ARG 14 1.629 -11.579 12.004 117 HH11 ARG 14 1HH1 ARG 14 0.780 -10.956 15.373 118 HH12 ARG 14 2HH1 ARG 14 2.082 -11.926 15.995 119 HH21 ARG 14 1HH2 ARG 14 3.345 -12.809 12.858 120 HH22 ARG 14 2HH2 ARG 14 3.526 -12.964 14.577 121 H GLU 15 H GLU 15 2.332 -6.500 10.007 122 HA GLU 15 HA GLU 15 0.451 -4.437 10.253 123 HB2 GLU 15 2HB GLU 15 2.807 -4.431 8.320 124 HB3 GLU 15 3HB GLU 15 2.120 -3.062 9.180 125 HG2 GLU 15 2HG GLU 15 3.765 -5.315 10.353 126 HG3 GLU 15 3HG GLU 15 4.285 -3.654 10.104 127 H PHE 16 H PHE 16 1.644 -6.239 7.459 128 HA PHE 16 HA PHE 16 0.224 -4.922 5.423 129 HB2 PHE 16 2HB PHE 16 1.851 -7.443 5.626 130 HB3 PHE 16 3HB PHE 16 0.779 -7.306 4.235 131 HD1 PHE 16 HD2 PHE 16 2.881 -4.750 6.043 132 HD2 PHE 16 HD1 PHE 16 2.059 -6.788 2.377 133 HE1 PHE 16 HE2 PHE 16 4.514 -3.324 4.871 134 HE2 PHE 16 HE1 PHE 16 3.674 -5.362 1.238 135 HZ PHE 16 HZ PHE 16 4.904 -3.630 2.465 136 H ARG 17 H ARG 17 -0.672 -7.682 7.445 137 HA ARG 17 HA ARG 17 -2.771 -8.772 5.971 138 HB2 ARG 17 2HB ARG 17 -2.726 -8.404 8.998 139 HB3 ARG 17 3HB ARG 17 -3.774 -9.505 8.109 140 HG2 ARG 17 2HG ARG 17 -1.758 -10.751 7.347 141 HG3 ARG 17 3HG ARG 17 -0.766 -9.690 8.352 142 HD2 ARG 17 2HD ARG 17 -2.174 -10.420 10.336 143 HD3 ARG 17 3HD ARG 17 -2.921 -11.620 9.271 144 HE ARG 17 HE ARG 17 -0.082 -11.835 9.215 145 HH11 ARG 17 1HH1 ARG 17 -2.834 -12.643 11.283 146 HH12 ARG 17 2HH1 ARG 17 -2.006 -13.955 12.056 147 HH21 ARG 17 1HH2 ARG 17 1.012 -13.472 10.317 148 HH22 ARG 17 2HH2 ARG 17 0.184 -14.424 11.515 149 H GLU 18 H GLU 18 -2.764 -6.078 8.242 150 HA GLU 18 HA GLU 18 -5.514 -5.477 8.284 151 HB2 GLU 18 2HB GLU 18 -3.170 -3.578 8.748 152 HB3 GLU 18 3HB GLU 18 -4.830 -3.329 9.281 153 HG2 GLU 18 2HG GLU 18 -4.618 -5.350 10.738 154 HG3 GLU 18 3HG GLU 18 -2.927 -5.477 10.259 155 H LEU 19 H LEU 19 -2.835 -4.215 6.302 156 HA LEU 19 HA LEU 19 -4.354 -2.301 4.842 157 HB2 LEU 19 2HB LEU 19 -1.620 -3.530 4.383 158 HB3 LEU 19 3HB LEU 19 -2.338 -2.480 3.178 159 HG LEU 19 HG LEU 19 -0.806 -1.167 4.490 160 HD11 LEU 19 1HD1 LEU 19 -3.639 -0.413 5.294 161 HD12 LEU 19 2HD1 LEU 19 -2.832 0.011 3.781 162 HD13 LEU 19 3HD1 LEU 19 -2.232 0.657 5.306 163 HD21 LEU 19 3HD2 LEU 19 -0.678 -2.525 6.532 164 HD22 LEU 19 1HD2 LEU 19 -2.293 -1.991 7.012 165 HD23 LEU 19 2HD2 LEU 19 -0.967 -0.830 6.913 166 H ILE 20 H ILE 20 -3.581 -5.701 4.253 167 HA ILE 20 HA ILE 20 -4.364 -5.827 1.515 168 HB ILE 20 HB ILE 20 -3.990 -7.994 3.640 169 HG12 ILE 20 2HG1 ILE 20 -1.933 -6.875 2.843 170 HG13 ILE 20 3HG1 ILE 20 -1.954 -8.564 2.366 171 HG21 ILE 20 1HG2 ILE 20 -5.667 -8.893 2.098 172 HG22 ILE 20 2HG2 ILE 20 -4.128 -9.721 1.870 173 HG23 ILE 20 3HG2 ILE 20 -4.648 -8.497 0.711 174 HD11 ILE 20 3HD1 ILE 20 -1.064 -7.154 0.606 175 HD12 ILE 20 1HD1 ILE 20 -2.547 -6.203 0.572 176 HD13 ILE 20 2HD1 ILE 20 -2.572 -7.897 0.078 177 H GLU 21 H GLU 21 -5.997 -6.806 4.534 178 HA GLU 21 HA GLU 21 -8.504 -7.538 3.524 179 HB2 GLU 21 2HB GLU 21 -7.848 -6.315 6.239 180 HB3 GLU 21 3HB GLU 21 -9.334 -7.167 5.843 181 HG2 GLU 21 2HG GLU 21 -8.143 -9.274 5.608 182 HG3 GLU 21 3HG GLU 21 -6.581 -8.466 5.777 183 H ARG 22 H ARG 22 -7.259 -4.389 4.613 184 HA ARG 22 HA ARG 22 -9.546 -2.805 4.490 185 HB2 ARG 22 2HB ARG 22 -7.127 -2.317 5.390 186 HB3 ARG 22 3HB ARG 22 -6.763 -1.782 3.760 187 HG2 ARG 22 2HG ARG 22 -8.944 -0.598 5.506 188 HG3 ARG 22 3HG ARG 22 -7.310 0.039 5.414 189 HD2 ARG 22 2HD ARG 22 -7.702 0.407 2.929 190 HD3 ARG 22 3HD ARG 22 -9.391 -0.017 3.202 191 HE ARG 22 HE ARG 22 -8.010 2.426 4.008 192 HH11 ARG 22 1HH1 ARG 22 -10.998 0.575 4.300 193 HH12 ARG 22 2HH1 ARG 22 -11.902 1.952 4.832 194 HH21 ARG 22 1HH2 ARG 22 -9.221 4.172 4.644 195 HH22 ARG 22 2HH2 ARG 22 -10.900 3.987 5.023 196 H LEU 23 H LEU 23 -7.057 -3.403 1.999 197 HA LEU 23 HA LEU 23 -8.109 -1.793 -0.045 198 HB2 LEU 23 2HB LEU 23 -6.300 -4.232 -0.220 199 HB3 LEU 23 3HB LEU 23 -6.631 -3.162 -1.572 200 HG LEU 23 HG LEU 23 -5.196 -2.368 0.992 201 HD11 LEU 23 1HD1 LEU 23 -3.836 -3.832 -0.404 202 HD12 LEU 23 2HD1 LEU 23 -3.182 -2.197 -0.395 203 HD13 LEU 23 3HD1 LEU 23 -4.087 -2.777 -1.797 204 HD21 LEU 23 3HD2 LEU 23 -4.708 -0.222 -0.124 205 HD22 LEU 23 1HD2 LEU 23 -6.439 -0.456 0.123 206 HD23 LEU 23 2HD2 LEU 23 -5.738 -0.689 -1.479 207 H GLU 24 H GLU 24 -8.756 -5.133 0.814 208 HA GLU 24 HA GLU 24 -10.325 -5.827 -1.488 209 HB2 GLU 24 2HB GLU 24 -10.158 -7.068 1.288 210 HB3 GLU 24 3HB GLU 24 -11.059 -7.778 -0.052 211 HG2 GLU 24 2HG GLU 24 -9.013 -8.076 -1.336 212 HG3 GLU 24 3HG GLU 24 -8.077 -7.229 -0.104 213 H GLU 25 H GLU 25 -11.073 -4.495 1.699 214 HA GLU 25 HA GLU 25 -13.924 -4.635 1.479 215 HB2 GLU 25 2HB GLU 25 -12.142 -2.899 3.242 216 HB3 GLU 25 3HB GLU 25 -13.889 -3.014 3.415 217 HG2 GLU 25 2HG GLU 25 -11.915 -5.283 3.794 218 HG3 GLU 25 3HG GLU 25 -12.732 -4.392 5.074 219 H GLU 26 H GLU 26 -11.618 -2.570 0.013 220 HA GLU 26 HA GLU 26 -13.181 -0.175 -0.097 221 HB2 GLU 26 2HB GLU 26 -10.702 -0.980 -1.670 222 HB3 GLU 26 3HB GLU 26 -11.423 0.626 -1.699 223 HG2 GLU 26 2HG GLU 26 -9.903 -0.728 0.518 224 HG3 GLU 26 3HG GLU 26 -9.696 0.889 -0.149 225 H ARG 27 H ARG 27 -14.443 0.638 -1.630 226 HA ARG 27 HA ARG 27 -15.452 -1.217 -3.689 227 HB2 ARG 27 2HB ARG 27 -16.894 1.232 -2.574 228 HB3 ARG 27 3HB ARG 27 -17.586 -0.094 -3.499 229 HG2 ARG 27 2HG ARG 27 -16.690 -0.097 -0.612 230 HG3 ARG 27 3HG ARG 27 -18.315 -0.346 -1.243 231 HD2 ARG 27 2HD ARG 27 -15.954 -2.245 -1.377 232 HD3 ARG 27 3HD ARG 27 -17.470 -2.464 -0.501 233 HE ARG 27 HE ARG 27 -18.567 -2.562 -2.748 234 HH11 ARG 27 1HH1 ARG 27 -15.202 -3.534 -2.370 235 HH12 ARG 27 2HH1 ARG 27 -15.230 -4.591 -3.745 236 HH21 ARG 27 1HH2 ARG 27 -18.553 -3.894 -4.603 237 HH22 ARG 27 2HH2 ARG 27 -17.122 -4.791 -5.001 238 HA PRO 28 HA PRO 28 -16.237 -1.391 -5.681 239 HB2 PRO 28 2HB PRO 28 -15.033 -1.467 -8.332 240 HB3 PRO 28 3HB PRO 28 -16.713 -1.098 -7.911 241 HG2 PRO 28 2HG PRO 28 -14.915 0.730 -8.973 242 HG3 PRO 28 3HG PRO 28 -16.399 1.151 -8.095 243 HD2 PRO 28 2HD PRO 28 -13.564 1.102 -7.101 244 HD3 PRO 28 3HD PRO 28 -14.879 2.238 -6.717 245 H SER 29 H SER 29 -12.866 -0.641 -6.568 246 HA SER 29 HA SER 29 -11.733 -2.799 -5.120 247 HB2 SER 29 2HB SER 29 -10.763 -4.076 -7.025 248 HB3 SER 29 3HB SER 29 -12.525 -4.127 -7.086 249 HG SER 29 HG SER 29 -10.706 -2.857 -8.789 250 H VAL 30 H VAL 30 -9.317 -2.867 -5.552 251 HA VAL 30 HA VAL 30 -8.189 -0.513 -6.890 252 HB VAL 30 HB VAL 30 -8.372 0.148 -4.507 253 HG11 VAL 30 1HG1 VAL 30 -8.332 -2.054 -3.454 254 HG12 VAL 30 2HG1 VAL 30 -7.125 -0.992 -2.731 255 HG13 VAL 30 3HG1 VAL 30 -6.624 -2.246 -3.867 256 HG21 VAL 30 3HG2 VAL 30 -5.481 -0.324 -5.352 257 HG22 VAL 30 1HG2 VAL 30 -6.019 0.815 -4.111 258 HG23 VAL 30 2HG2 VAL 30 -6.486 1.058 -5.793 259 H GLN 31 H GLN 31 -6.235 -0.935 -7.845 260 HA GLN 31 HA GLN 31 -5.501 -3.727 -8.190 261 HB2 GLN 31 2HB GLN 31 -4.393 -1.183 -9.459 262 HB3 GLN 31 3HB GLN 31 -3.975 -2.826 -9.944 263 HG2 GLN 31 2HG GLN 31 -6.261 -3.247 -10.684 264 HG3 GLN 31 3HG GLN 31 -6.783 -1.680 -10.061 265 HE21 GLN 31 1HE2 GLN 31 -7.559 -1.065 -12.111 266 HE22 GLN 31 2HE2 GLN 31 -6.488 -0.620 -13.391 267 H TYR 32 H TYR 32 -3.942 -4.718 -7.028 268 HA TYR 32 HA TYR 32 -1.610 -3.292 -6.044 269 HB2 TYR 32 2HB TYR 32 -1.920 -3.861 -3.691 270 HB3 TYR 32 3HB TYR 32 -3.288 -2.913 -4.246 271 HD1 TYR 32 HD1 TYR 32 -5.530 -4.013 -4.555 272 HD2 TYR 32 HD2 TYR 32 -2.238 -6.160 -2.870 273 HE1 TYR 32 HE1 TYR 32 -7.075 -5.720 -3.699 274 HE2 TYR 32 HE2 TYR 32 -3.787 -7.865 -2.015 275 HH TYR 32 HH TYR 32 -7.028 -8.062 -3.013 276 H THR 33 H THR 33 -0.040 -4.769 -4.995 277 HA THR 33 HA THR 33 -0.260 -7.635 -5.573 278 HB THR 33 HB THR 33 1.967 -5.901 -6.774 279 HG1 THR 33 HG1 THR 33 -0.316 -7.182 -7.840 280 HG21 THR 33 3HG2 THR 33 2.784 -8.010 -7.813 281 HG22 THR 33 1HG2 THR 33 1.578 -8.921 -6.896 282 HG23 THR 33 2HG2 THR 33 2.881 -8.081 -6.056 283 H GLU 34 H GLU 34 0.277 -8.507 -3.637 284 HA GLU 34 HA GLU 34 2.385 -7.281 -1.953 285 HB2 GLU 34 2HB GLU 34 0.057 -7.844 -1.044 286 HB3 GLU 34 3HB GLU 34 0.470 -9.539 -1.216 287 HG2 GLU 34 2HG GLU 34 2.053 -7.602 0.498 288 HG3 GLU 34 3HG GLU 34 0.698 -8.533 1.107 289 H THR 35 H THR 35 4.373 -8.207 -1.875 290 HA THR 35 HA THR 35 4.833 -11.041 -2.496 291 HB THR 35 HB THR 35 6.315 -8.803 -3.981 292 HG1 THR 35 HG1 THR 35 4.112 -10.383 -4.639 293 HG21 THR 35 3HG2 THR 35 7.339 -10.616 -5.308 294 HG22 THR 35 1HG2 THR 35 6.511 -11.825 -4.314 295 HG23 THR 35 2HG2 THR 35 7.751 -10.790 -3.603 296 H THR 36 H THR 36 6.654 -11.854 -1.347 297 HA THR 36 HA THR 36 7.794 -10.147 0.715 298 HB THR 36 HB THR 36 8.619 -13.027 0.113 299 HG1 THR 36 HG1 THR 36 6.180 -12.363 0.555 300 HG21 THR 36 3HG2 THR 36 8.533 -11.427 2.705 301 HG22 THR 36 1HG2 THR 36 9.991 -11.845 1.804 302 HG23 THR 36 2HG2 THR 36 9.024 -13.115 2.558 303 H ARG 37 H ARG 37 9.291 -8.719 -0.038 304 HA ARG 37 HA ARG 37 11.203 -9.508 -2.149 305 HB2 ARG 37 2HB ARG 37 9.711 -7.458 -2.438 306 HB3 ARG 37 3HB ARG 37 10.587 -6.699 -1.111 307 HG2 ARG 37 2HG ARG 37 11.509 -5.887 -3.194 308 HG3 ARG 37 3HG ARG 37 12.707 -6.936 -2.440 309 HD2 ARG 37 2HD ARG 37 11.924 -8.804 -3.932 310 HD3 ARG 37 3HD ARG 37 10.860 -7.658 -4.747 311 HE ARG 37 HE ARG 37 13.269 -6.475 -4.980 312 HH11 ARG 37 1HH1 ARG 37 12.209 -9.752 -5.714 313 HH12 ARG 37 2HH1 ARG 37 13.355 -9.975 -6.998 314 HH21 ARG 37 1HH2 ARG 37 14.754 -6.760 -6.697 315 HH22 ARG 37 2HH2 ARG 37 14.806 -8.263 -7.562 316 H ASN 38 H ASN 38 13.049 -10.255 -1.361 317 HA ASN 38 HA ASN 38 15.005 -10.562 -0.255 318 HB2 ASN 38 2HB ASN 38 14.732 -7.685 0.716 319 HB3 ASN 38 3HB ASN 38 16.209 -8.637 0.706 320 HD21 ASN 38 1HD2 ASN 38 14.092 -6.648 -1.143 321 HD22 ASN 38 2HD2 ASN 38 15.026 -6.646 -2.599 322 H GLY 39 H GLY 39 12.361 -11.004 1.142 323 HA2 GLY 39 2HA GLY 39 11.907 -12.063 3.194 324 HA3 GLY 39 3HA GLY 39 13.383 -11.392 3.868 325 H ARG 40 H ARG 40 11.878 -8.905 2.327 326 HA ARG 40 HA ARG 40 10.262 -8.072 4.668 327 HB2 ARG 40 2HB ARG 40 12.295 -6.716 4.406 328 HB3 ARG 40 3HB ARG 40 11.899 -6.371 2.726 329 HG2 ARG 40 2HG ARG 40 10.074 -4.946 3.343 330 HG3 ARG 40 3HG ARG 40 10.074 -5.539 5.004 331 HD2 ARG 40 2HD ARG 40 12.197 -3.814 3.699 332 HD3 ARG 40 3HD ARG 40 11.040 -3.320 4.942 333 HE ARG 40 HE ARG 40 12.819 -5.518 5.644 334 HH11 ARG 40 1HH1 ARG 40 12.321 -2.037 5.879 335 HH12 ARG 40 2HH1 ARG 40 13.422 -1.874 7.208 336 HH21 ARG 40 1HH2 ARG 40 14.267 -5.269 7.334 337 HH22 ARG 40 2HH2 ARG 40 14.525 -3.701 8.032 338 H ARG 41 H ARG 41 8.129 -7.795 4.230 339 HA ARG 41 HA ARG 41 6.989 -8.453 1.745 340 HB2 ARG 41 2HB ARG 41 5.775 -6.995 4.136 341 HB3 ARG 41 3HB ARG 41 4.836 -7.653 2.801 342 HG2 ARG 41 2HG ARG 41 6.518 -9.247 4.760 343 HG3 ARG 41 3HG ARG 41 4.757 -9.140 4.753 344 HD2 ARG 41 2HD ARG 41 4.787 -10.151 2.444 345 HD3 ARG 41 3HD ARG 41 6.524 -10.390 2.625 346 HE ARG 41 HE ARG 41 5.754 -11.745 4.713 347 HH11 ARG 41 1HH1 ARG 41 4.176 -11.645 1.567 348 HH12 ARG 41 2HH1 ARG 41 3.539 -13.255 1.705 349 HH21 ARG 41 1HH2 ARG 41 4.938 -13.881 4.868 350 HH22 ARG 41 2HH2 ARG 41 3.976 -14.525 3.577 351 H GLN 42 H GLN 42 6.183 -7.222 0.053 352 HA GLN 42 HA GLN 42 6.295 -4.279 0.203 353 HB2 GLN 42 2HB GLN 42 7.042 -4.072 -2.083 354 HB3 GLN 42 3HB GLN 42 8.186 -5.083 -1.223 355 HG2 GLN 42 2HG GLN 42 7.547 -7.026 -2.404 356 HG3 GLN 42 3HG GLN 42 6.025 -6.311 -2.938 357 HE21 GLN 42 1HE2 GLN 42 6.055 -4.846 -4.685 358 HE22 GLN 42 2HE2 GLN 42 7.391 -4.762 -5.773 359 H LEU 43 H LEU 43 4.412 -3.334 -0.241 360 HA LEU 43 HA LEU 43 2.331 -4.831 -1.745 361 HB2 LEU 43 2HB LEU 43 2.109 -3.797 0.817 362 HB3 LEU 43 3HB LEU 43 1.510 -2.445 -0.113 363 HG LEU 43 HG LEU 43 0.361 -5.265 -0.064 364 HD11 LEU 43 1HD1 LEU 43 -1.607 -4.200 0.968 365 HD12 LEU 43 2HD1 LEU 43 -0.761 -2.652 0.995 366 HD13 LEU 43 3HD1 LEU 43 -0.157 -4.007 1.953 367 HD21 LEU 43 3HD2 LEU 43 -0.589 -2.885 -1.679 368 HD22 LEU 43 1HD2 LEU 43 -1.444 -4.418 -1.499 369 HD23 LEU 43 2HD2 LEU 43 0.117 -4.375 -2.313 370 H THR 44 H THR 44 2.469 -4.139 -3.795 371 HA THR 44 HA THR 44 3.107 -1.335 -4.428 372 HB THR 44 HB THR 44 3.061 -3.795 -6.253 373 HG1 THR 44 HG1 THR 44 4.925 -2.826 -4.475 374 HG21 THR 44 3HG2 THR 44 4.214 -1.006 -6.711 375 HG22 THR 44 1HG2 THR 44 2.760 -1.648 -7.487 376 HG23 THR 44 2HG2 THR 44 4.335 -2.372 -7.824 377 H ILE 45 H ILE 45 1.259 -0.234 -4.359 378 HA ILE 45 HA ILE 45 -1.248 -1.176 -5.588 379 HB ILE 45 HB ILE 45 -0.656 1.288 -3.853 380 HG12 ILE 45 2HG1 ILE 45 -2.053 -1.314 -3.052 381 HG13 ILE 45 3HG1 ILE 45 -0.399 -0.891 -2.628 382 HG21 ILE 45 1HG2 ILE 45 -3.112 1.540 -3.663 383 HG22 ILE 45 2HG2 ILE 45 -3.343 0.184 -4.767 384 HG23 ILE 45 3HG2 ILE 45 -2.580 1.666 -5.344 385 HD11 ILE 45 3HD1 ILE 45 -1.879 -0.525 -0.774 386 HD12 ILE 45 1HD1 ILE 45 -2.884 0.554 -1.742 387 HD13 ILE 45 2HD1 ILE 45 -1.227 1.014 -1.338 388 H ARG 46 H ARG 46 -1.942 -0.221 -7.503 389 HA ARG 46 HA ARG 46 -0.576 2.212 -8.492 390 HB2 ARG 46 2HB ARG 46 -1.219 -0.306 -10.105 391 HB3 ARG 46 3HB ARG 46 -0.730 1.228 -10.826 392 HG2 ARG 46 2HG ARG 46 1.442 1.101 -9.638 393 HG3 ARG 46 3HG ARG 46 0.944 -0.422 -8.902 394 HD2 ARG 46 2HD ARG 46 1.271 0.032 -11.886 395 HD3 ARG 46 3HD ARG 46 2.470 -0.725 -10.837 396 HE ARG 46 HE ARG 46 0.061 -2.124 -10.548 397 HH11 ARG 46 1HH1 ARG 46 2.509 -1.594 -13.038 398 HH12 ARG 46 2HH1 ARG 46 2.224 -3.117 -13.821 399 HH21 ARG 46 1HH2 ARG 46 -0.311 -4.118 -11.587 400 HH22 ARG 46 2HH2 ARG 46 0.618 -4.548 -12.988 401 H SER 47 H SER 47 -1.936 3.766 -9.015 402 HA SER 47 HA SER 47 -4.749 3.237 -9.681 403 HB2 SER 47 2HB SER 47 -4.709 3.624 -7.229 404 HB3 SER 47 3HB SER 47 -3.832 5.133 -7.468 405 HG SER 47 HG SER 47 -6.388 4.903 -7.323 406 H ASN 48 H ASN 48 -5.756 4.943 -10.766 407 HA ASN 48 HA ASN 48 -3.969 6.920 -12.073 408 HB2 ASN 48 2HB ASN 48 -5.466 6.778 -14.030 409 HB3 ASN 48 3HB ASN 48 -4.858 5.178 -13.626 410 HD21 ASN 48 1HD2 ASN 48 -7.220 5.868 -15.152 411 HD22 ASN 48 2HD2 ASN 48 -8.566 5.150 -14.341 412 H ASP 49 H ASP 49 -5.622 7.061 -9.514 413 HA ASP 49 HA ASP 49 -7.168 9.507 -10.112 414 HB2 ASP 49 2HB ASP 49 -8.788 7.637 -10.042 415 HB3 ASP 49 3HB ASP 49 -8.175 7.134 -8.470 416 H LYS 50 H LYS 50 -6.576 11.109 -8.766 417 HA LYS 50 HA LYS 50 -4.669 10.781 -6.720 418 HB2 LYS 50 2HB LYS 50 -6.288 13.144 -7.663 419 HB3 LYS 50 3HB LYS 50 -5.385 13.284 -6.160 420 HG2 LYS 50 2HG LYS 50 -4.210 12.646 -8.887 421 HG3 LYS 50 3HG LYS 50 -4.104 14.189 -8.043 422 HD2 LYS 50 2HD LYS 50 -2.847 11.560 -7.135 423 HD3 LYS 50 3HD LYS 50 -1.991 12.924 -7.849 424 HE2 LYS 50 2HE LYS 50 -3.449 12.968 -5.183 425 HE3 LYS 50 3HE LYS 50 -1.705 12.840 -5.393 426 HZ1 LYS 50 3HZ LYS 50 -3.369 15.139 -6.260 427 HZ2 LYS 50 1HZ LYS 50 -1.690 15.013 -6.416 428 HZ3 LYS 50 2HZ LYS 50 -2.396 15.095 -4.883 429 H ASN 51 H ASN 51 -8.207 11.076 -6.516 430 HA ASN 51 HA ASN 51 -8.355 11.815 -3.779 431 HB2 ASN 51 2HB ASN 51 -10.476 10.173 -5.227 432 HB3 ASN 51 3HB ASN 51 -10.711 11.227 -3.840 433 HD21 ASN 51 1HD2 ASN 51 -10.481 11.019 -7.245 434 HD22 ASN 51 2HD2 ASN 51 -10.821 12.677 -7.591 435 H GLU 52 H GLU 52 -8.230 8.671 -5.381 436 HA GLU 52 HA GLU 52 -8.629 7.198 -2.920 437 HB2 GLU 52 2HB GLU 52 -9.507 6.424 -5.152 438 HB3 GLU 52 3HB GLU 52 -7.848 6.128 -5.664 439 HG2 GLU 52 2HG GLU 52 -9.044 4.070 -4.915 440 HG3 GLU 52 3HG GLU 52 -7.574 4.392 -3.990 441 H VAL 53 H VAL 53 -5.892 7.813 -5.175 442 HA VAL 53 HA VAL 53 -4.121 6.019 -3.854 443 HB VAL 53 HB VAL 53 -3.883 6.718 -6.276 444 HG11 VAL 53 1HG1 VAL 53 -4.117 9.141 -6.038 445 HG12 VAL 53 2HG1 VAL 53 -2.607 8.731 -6.853 446 HG13 VAL 53 3HG1 VAL 53 -2.593 9.219 -5.155 447 HG21 VAL 53 3HG2 VAL 53 -1.428 6.569 -6.309 448 HG22 VAL 53 1HG2 VAL 53 -2.118 5.451 -5.134 449 HG23 VAL 53 2HG2 VAL 53 -1.366 6.951 -4.587 450 H ASP 54 H ASP 54 -4.627 9.519 -3.558 451 HA ASP 54 HA ASP 54 -2.515 10.172 -1.769 452 HB2 ASP 54 2HB ASP 54 -3.694 11.951 -2.960 453 HB3 ASP 54 3HB ASP 54 -5.241 11.462 -2.284 454 H ARG 55 H ARG 55 -5.864 9.207 -1.316 455 HA ARG 55 HA ARG 55 -6.196 9.446 1.437 456 HB2 ARG 55 2HB ARG 55 -8.058 9.140 -0.067 457 HB3 ARG 55 3HB ARG 55 -7.442 7.585 -0.614 458 HG2 ARG 55 2HG ARG 55 -7.899 6.644 1.642 459 HG3 ARG 55 3HG ARG 55 -8.570 8.203 2.132 460 HD2 ARG 55 2HD ARG 55 -10.328 8.023 0.464 461 HD3 ARG 55 3HD ARG 55 -9.617 6.538 -0.182 462 HE ARG 55 HE ARG 55 -10.787 6.797 2.526 463 HH11 ARG 55 1HH1 ARG 55 -10.163 4.871 -0.353 464 HH12 ARG 55 2HH1 ARG 55 -11.042 3.503 0.254 465 HH21 ARG 55 1HH2 ARG 55 -11.960 5.006 3.269 466 HH22 ARG 55 2HH2 ARG 55 -12.049 3.575 2.282 467 H ILE 56 H ILE 56 -5.261 6.548 -0.445 468 HA ILE 56 HA ILE 56 -4.838 4.833 1.800 469 HB ILE 56 HB ILE 56 -3.793 4.564 -1.064 470 HG12 ILE 56 2HG1 ILE 56 -6.273 3.292 0.205 471 HG13 ILE 56 3HG1 ILE 56 -6.301 4.658 -0.902 472 HG21 ILE 56 1HG2 ILE 56 -3.982 2.455 1.124 473 HG22 ILE 56 2HG2 ILE 56 -2.497 3.154 0.476 474 HG23 ILE 56 3HG2 ILE 56 -3.517 2.150 -0.552 475 HD11 ILE 56 3HD1 ILE 56 -5.373 1.863 -1.557 476 HD12 ILE 56 1HD1 ILE 56 -5.358 3.235 -2.667 477 HD13 ILE 56 2HD1 ILE 56 -6.889 2.621 -2.045 478 H LEU 57 H LEU 57 -2.784 6.971 -0.109 479 HA LEU 57 HA LEU 57 -0.237 6.067 0.637 480 HB2 LEU 57 2HB LEU 57 -0.688 7.592 -1.275 481 HB3 LEU 57 3HB LEU 57 -1.097 8.879 -0.155 482 HG LEU 57 HG LEU 57 1.251 8.925 0.655 483 HD11 LEU 57 1HD1 LEU 57 3.002 7.656 -0.497 484 HD12 LEU 57 2HD1 LEU 57 1.770 6.789 -1.415 485 HD13 LEU 57 3HD1 LEU 57 1.860 6.606 0.339 486 HD21 LEU 57 3HD2 LEU 57 0.592 10.391 -1.218 487 HD22 LEU 57 1HD2 LEU 57 1.054 9.137 -2.369 488 HD23 LEU 57 2HD2 LEU 57 2.278 9.903 -1.350 489 H GLU 58 H GLU 58 -2.110 8.845 1.932 490 HA GLU 58 HA GLU 58 -0.328 9.419 4.054 491 HB2 GLU 58 2HB GLU 58 -2.146 10.806 5.019 492 HB3 GLU 58 3HB GLU 58 -1.891 11.130 3.310 493 HG2 GLU 58 2HG GLU 58 -3.900 9.982 2.686 494 HG3 GLU 58 3HG GLU 58 -4.070 9.271 4.286 495 H GLU 59 H GLU 59 -3.120 7.271 3.789 496 HA GLU 59 HA GLU 59 -3.629 7.021 6.556 497 HB2 GLU 59 2HB GLU 59 -5.309 6.552 4.776 498 HB3 GLU 59 3HB GLU 59 -4.449 5.064 4.376 499 HG2 GLU 59 2HG GLU 59 -4.807 4.290 6.731 500 HG3 GLU 59 3HG GLU 59 -5.758 5.741 7.036 501 H VAL 60 H VAL 60 -1.791 4.934 4.291 502 HA VAL 60 HA VAL 60 -1.235 2.900 6.206 503 HB VAL 60 HB VAL 60 -1.076 2.410 3.807 504 HG11 VAL 60 1HG1 VAL 60 -0.187 4.530 2.962 505 HG12 VAL 60 2HG1 VAL 60 0.801 3.174 2.412 506 HG13 VAL 60 3HG1 VAL 60 1.369 4.204 3.728 507 HG21 VAL 60 3HG2 VAL 60 1.600 2.023 5.201 508 HG22 VAL 60 1HG2 VAL 60 1.009 1.094 3.822 509 HG23 VAL 60 2HG2 VAL 60 0.184 0.985 5.373 510 H ARG 61 H ARG 61 0.394 5.892 5.335 511 HA ARG 61 HA ARG 61 2.747 5.646 6.901 512 HB2 ARG 61 2HB ARG 61 1.157 8.083 6.001 513 HB3 ARG 61 3HB ARG 61 2.725 8.189 6.786 514 HG2 ARG 61 2HG ARG 61 3.815 7.086 4.924 515 HG3 ARG 61 3HG ARG 61 2.260 6.734 4.163 516 HD2 ARG 61 2HD ARG 61 3.392 8.645 3.079 517 HD3 ARG 61 3HD ARG 61 1.859 9.131 3.808 518 HE ARG 61 HE ARG 61 4.213 9.536 5.465 519 HH11 ARG 61 1HH1 ARG 61 2.053 11.052 3.108 520 HH12 ARG 61 2HH1 ARG 61 2.501 12.661 3.570 521 HH21 ARG 61 1HH2 ARG 61 4.775 11.650 6.047 522 HH22 ARG 61 2HH2 ARG 61 4.046 13.000 5.242 523 H ARG 62 H ARG 62 -0.560 6.485 7.698 524 HA ARG 62 HA ARG 62 -0.021 7.353 10.433 525 HB2 ARG 62 2HB ARG 62 -2.632 6.835 8.936 526 HB3 ARG 62 3HB ARG 62 -2.530 7.532 10.552 527 HG2 ARG 62 2HG ARG 62 -1.570 9.555 9.740 528 HG3 ARG 62 3HG ARG 62 -1.190 8.842 8.170 529 HD2 ARG 62 2HD ARG 62 -3.102 10.351 7.975 530 HD3 ARG 62 3HD ARG 62 -3.607 8.689 7.656 531 HE ARG 62 HE ARG 62 -4.000 9.363 10.389 532 HH11 ARG 62 1HH1 ARG 62 -5.421 9.957 7.206 533 HH12 ARG 62 2HH1 ARG 62 -7.011 10.232 7.846 534 HH21 ARG 62 1HH2 ARG 62 -6.080 9.718 11.206 535 HH22 ARG 62 2HH2 ARG 62 -7.383 10.096 10.126 536 H LYS 63 H LYS 63 -1.078 4.456 8.748 537 HA LYS 63 HA LYS 63 -2.327 3.157 10.991 538 HB2 LYS 63 2HB LYS 63 -1.577 2.234 8.180 539 HB3 LYS 63 3HB LYS 63 -2.239 1.113 9.358 540 HG2 LYS 63 2HG LYS 63 -3.630 3.588 8.306 541 HG3 LYS 63 3HG LYS 63 -3.949 1.926 7.802 542 HD2 LYS 63 2HD LYS 63 -4.644 1.382 10.130 543 HD3 LYS 63 3HD LYS 63 -4.371 3.067 10.588 544 HE2 LYS 63 2HE LYS 63 -6.101 3.740 8.892 545 HE3 LYS 63 3HE LYS 63 -6.427 2.024 8.616 546 HZ1 LYS 63 3HZ LYS 63 -6.708 3.432 11.218 547 HZ2 LYS 63 1HZ LYS 63 -7.055 1.800 10.933 548 HZ3 LYS 63 2HZ LYS 63 -7.981 3.004 10.190 549 H VAL 64 H VAL 64 0.749 2.873 9.283 550 HA VAL 64 HA VAL 64 1.833 1.135 11.404 551 HB VAL 64 HB VAL 64 2.099 0.646 8.394 552 HG11 VAL 64 1HG1 VAL 64 3.396 -1.362 8.980 553 HG12 VAL 64 2HG1 VAL 64 3.320 -0.924 10.687 554 HG13 VAL 64 3HG1 VAL 64 4.191 0.107 9.549 555 HG21 VAL 64 3HG2 VAL 64 -0.090 -0.096 9.247 556 HG22 VAL 64 1HG2 VAL 64 0.703 -1.062 10.493 557 HG23 VAL 64 2HG2 VAL 64 0.906 -1.479 8.787 558 HA PRO 65 HA PRO 65 5.074 4.357 10.798 559 HB2 PRO 65 2HB PRO 65 6.445 3.857 13.110 560 HB3 PRO 65 3HB PRO 65 4.908 4.749 13.091 561 HG2 PRO 65 2HG PRO 65 5.384 1.851 13.730 562 HG3 PRO 65 3HG PRO 65 4.394 3.043 14.605 563 HD2 PRO 65 2HD PRO 65 3.307 1.244 12.878 564 HD3 PRO 65 3HD PRO 65 2.626 2.874 13.107 565 H ASN 66 H ASN 66 5.313 0.945 11.049 566 HA ASN 66 HA ASN 66 8.113 0.646 10.360 567 HB2 ASN 66 2HB ASN 66 5.891 -1.452 10.235 568 HB3 ASN 66 3HB ASN 66 7.627 -1.751 10.289 569 HD21 ASN 66 1HD2 ASN 66 5.325 -2.513 12.080 570 HD22 ASN 66 2HD2 ASN 66 5.843 -2.049 13.660 571 H ALA 67 H ALA 67 5.230 1.323 8.673 572 HA ALA 67 HA ALA 67 5.754 -0.033 6.208 573 HB1 ALA 67 3HB ALA 67 3.462 0.505 6.879 574 HB2 ALA 67 1HB ALA 67 3.849 1.300 5.353 575 HB3 ALA 67 2HB ALA 67 3.826 2.231 6.853 576 H ARG 68 H ARG 68 7.808 0.572 5.519 577 HA ARG 68 HA ARG 68 8.553 3.279 4.937 578 HB2 ARG 68 2HB ARG 68 10.233 1.474 5.247 579 HB3 ARG 68 3HB ARG 68 9.610 0.635 3.835 580 HG2 ARG 68 2HG ARG 68 11.627 1.779 3.190 581 HG3 ARG 68 3HG ARG 68 10.269 2.606 2.429 582 HD2 ARG 68 2HD ARG 68 10.315 4.286 4.308 583 HD3 ARG 68 3HD ARG 68 11.787 3.510 4.904 584 HE ARG 68 HE ARG 68 12.407 4.069 2.345 585 HH11 ARG 68 1HH1 ARG 68 11.129 6.104 4.941 586 HH12 ARG 68 2HH1 ARG 68 11.879 7.542 4.320 587 HH21 ARG 68 1HH2 ARG 68 13.347 5.961 1.555 588 HH22 ARG 68 2HH2 ARG 68 13.131 7.458 2.406 589 H VAL 69 H VAL 69 7.249 4.377 3.595 590 HA VAL 69 HA VAL 69 5.895 3.007 1.348 591 HB VAL 69 HB VAL 69 5.134 5.619 2.756 592 HG11 VAL 69 1HG1 VAL 69 3.611 3.974 0.704 593 HG12 VAL 69 2HG1 VAL 69 4.362 5.548 0.431 594 HG13 VAL 69 3HG1 VAL 69 2.999 5.406 1.539 595 HG21 VAL 69 3HG2 VAL 69 3.889 2.851 3.052 596 HG22 VAL 69 1HG2 VAL 69 3.295 4.340 3.798 597 HG23 VAL 69 2HG2 VAL 69 4.863 3.684 4.265 598 H ARG 70 H ARG 70 6.756 3.395 -0.589 599 HA ARG 70 HA ARG 70 7.934 6.030 -1.215 600 HB2 ARG 70 2HB ARG 70 9.633 4.166 -1.128 601 HB3 ARG 70 3HB ARG 70 8.741 3.330 -2.398 602 HG2 ARG 70 2HG ARG 70 10.674 4.518 -3.335 603 HG3 ARG 70 3HG ARG 70 9.167 5.209 -3.945 604 HD2 ARG 70 2HD ARG 70 9.342 7.040 -2.280 605 HD3 ARG 70 3HD ARG 70 10.858 6.353 -1.687 606 HE ARG 70 HE ARG 70 10.811 7.010 -4.518 607 HH11 ARG 70 1HH1 ARG 70 11.557 8.193 -1.284 608 HH12 ARG 70 2HH1 ARG 70 12.636 9.426 -1.858 609 HH21 ARG 70 1HH2 ARG 70 12.214 8.659 -5.246 610 HH22 ARG 70 2HH2 ARG 70 13.002 9.689 -4.093 611 H GLU 71 H GLU 71 6.354 7.056 -2.318 612 HA GLU 71 HA GLU 71 4.713 5.593 -4.273 613 HB2 GLU 71 2HB GLU 71 3.818 7.274 -2.469 614 HB3 GLU 71 3HB GLU 71 4.359 8.522 -3.574 615 HG2 GLU 71 2HG GLU 71 2.447 6.332 -4.436 616 HG3 GLU 71 3HG GLU 71 1.888 7.801 -3.655 617 H THR 72 H THR 72 5.499 5.450 -6.237 618 HA THR 72 HA THR 72 7.236 7.532 -7.424 619 HB THR 72 HB THR 72 8.016 5.652 -8.949 620 HG1 THR 72 HG1 THR 72 6.145 4.298 -8.603 621 HG21 THR 72 3HG2 THR 72 8.413 5.104 -5.981 622 HG22 THR 72 1HG2 THR 72 9.372 6.218 -6.962 623 HG23 THR 72 2HG2 THR 72 9.426 4.486 -7.288 624 H GLU 73 H GLU 73 6.179 8.756 -8.918 625 HA GLU 73 HA GLU 73 3.687 7.952 -10.145 626 HB2 GLU 73 2HB GLU 73 4.116 10.333 -9.585 627 HB3 GLU 73 3HB GLU 73 5.450 10.377 -10.733 628 HG2 GLU 73 2HG GLU 73 3.855 9.933 -12.583 629 HG3 GLU 73 3HG GLU 73 2.516 9.935 -11.435 630 H THR 74 H THR 74 3.928 6.269 -11.474 631 HA THR 74 HA THR 74 5.996 6.124 -13.549 632 HB THR 74 HB THR 74 4.970 3.858 -13.978 633 HG1 THR 74 HG1 THR 74 2.946 4.905 -12.587 634 HG21 THR 74 3HG2 THR 74 5.657 4.390 -11.055 635 HG22 THR 74 1HG2 THR 74 6.818 4.040 -12.339 636 HG23 THR 74 2HG2 THR 74 5.661 2.809 -11.835 637 H GLY 75 H GLY 75 5.494 6.083 -15.792 638 HA2 GLY 75 2HA GLY 75 4.319 6.572 -17.730 639 HA3 GLY 75 3HA GLY 75 2.821 6.449 -16.817 640 H SER 76 H SER 76 5.647 8.538 -16.437 641 HA SER 76 HA SER 76 4.050 10.936 -16.069 642 HB2 SER 76 2HB SER 76 5.996 10.467 -14.604 643 HB3 SER 76 3HB SER 76 7.069 10.438 -15.999 644 HG SER 76 HG SER 76 6.713 12.632 -16.288 645 H LEU 77 H LEU 77 4.630 9.415 -18.789 646 HA LEU 77 HA LEU 77 6.056 11.177 -20.490 647 HB2 LEU 77 2HB LEU 77 4.138 8.875 -21.064 648 HB3 LEU 77 3HB LEU 77 4.932 9.788 -22.336 649 HG LEU 77 HG LEU 77 7.154 9.026 -21.510 650 HD11 LEU 77 1HD1 LEU 77 7.365 7.220 -19.872 651 HD12 LEU 77 2HD1 LEU 77 5.633 7.302 -19.535 652 HD13 LEU 77 3HD1 LEU 77 6.674 8.673 -19.148 653 HD21 LEU 77 3HD2 LEU 77 6.982 6.691 -22.273 654 HD22 LEU 77 1HD2 LEU 77 6.049 7.784 -23.296 655 HD23 LEU 77 2HD2 LEU 77 5.224 6.764 -22.115 656 H GLU 78 H GLU 78 5.348 12.981 -21.397 657 HA GLU 78 HA GLU 78 2.663 14.004 -21.038 658 HB2 GLU 78 2HB GLU 78 3.525 16.031 -22.155 659 HB3 GLU 78 3HB GLU 78 4.650 15.498 -20.911 660 HG2 GLU 78 2HG GLU 78 6.246 14.742 -22.484 661 HG3 GLU 78 3HG GLU 78 5.080 14.697 -23.801 662 H HIS 79 H HIS 79 1.782 15.219 -23.146 663 HA HIS 79 HA HIS 79 1.950 13.492 -25.551 664 HB2 HIS 79 2HB HIS 79 0.076 15.837 -24.953 665 HB3 HIS 79 3HB HIS 79 0.016 14.796 -26.375 666 HD1 HIS 79 HD1 HIS 79 -1.052 12.455 -26.084 667 HD2 HIS 79 HD2 HIS 79 -0.970 14.705 -22.589 668 HE1 HIS 79 HE1 HIS 79 -2.491 11.222 -24.445 669 HE2 HIS 79 HE2 HIS 79 -2.186 12.454 -22.282 670 H HIS 80 H HIS 80 3.440 14.144 -26.996 671 HA HIS 80 HA HIS 80 5.219 16.220 -26.559 672 HB2 HIS 80 2HB HIS 80 6.070 15.701 -28.914 673 HB3 HIS 80 3HB HIS 80 5.981 14.334 -27.814 674 HD1 HIS 80 HD1 HIS 80 4.318 12.452 -28.393 675 HD2 HIS 80 HD2 HIS 80 4.354 15.547 -31.167 676 HE1 HIS 80 HE1 HIS 80 3.004 11.612 -30.358 677 HE2 HIS 80 HE2 HIS 80 3.004 13.501 -32.005 678 H HIS 81 H HIS 81 4.072 18.098 -26.227 679 HA HIS 81 HA HIS 81 2.463 19.319 -28.345 680 HB2 HIS 81 2HB HIS 81 1.945 21.049 -26.609 681 HB3 HIS 81 3HB HIS 81 1.533 19.414 -26.113 682 HD1 HIS 81 HD1 HIS 81 2.811 18.433 -24.078 683 HD2 HIS 81 HD2 HIS 81 4.005 22.281 -25.109 684 HE1 HIS 81 HE1 HIS 81 4.126 19.293 -22.113 685 HE2 HIS 81 HE2 HIS 81 4.873 21.593 -22.778 686 H HIS 82 H HIS 82 3.074 20.980 -29.583 687 HA HIS 82 HA HIS 82 5.839 22.024 -29.341 688 HB2 HIS 82 2HB HIS 82 3.997 21.765 -31.758 689 HB3 HIS 82 3HB HIS 82 5.544 22.607 -31.791 690 HD1 HIS 82 HD1 HIS 82 7.509 21.215 -32.422 691 HD2 HIS 82 HD2 HIS 82 4.326 18.874 -31.121 692 HE1 HIS 82 HE1 HIS 82 8.222 18.840 -32.791 693 HE2 HIS 82 HE2 HIS 82 6.382 17.458 -31.789 694 H HIS 83 H HIS 83 6.208 24.235 -29.617 695 HA HIS 83 HA HIS 83 3.937 26.087 -29.794 696 HB2 HIS 83 2HB HIS 83 5.953 26.070 -27.502 697 HB3 HIS 83 3HB HIS 83 5.000 27.494 -27.917 698 HD1 HIS 83 HD1 HIS 83 4.850 24.393 -25.967 699 HD2 HIS 83 HD2 HIS 83 2.122 27.084 -27.573 700 HE1 HIS 83 HE1 HIS 83 2.671 23.924 -24.807 701 HE2 HIS 83 HE2 HIS 83 1.070 25.629 -25.716 702 H HIS 84 H HIS 84 4.373 27.385 -31.401 703 HA HIS 84 HA HIS 84 7.098 28.465 -31.799 704 HB2 HIS 84 2HB HIS 84 6.661 26.828 -33.587 705 HB3 HIS 84 3HB HIS 84 5.121 27.591 -33.967 706 HD1 HIS 84 HD1 HIS 84 5.254 29.986 -35.106 707 HD2 HIS 84 HD2 HIS 84 8.881 27.972 -34.837 708 HE1 HIS 84 HE1 HIS 84 6.803 31.178 -36.672 709 HE2 HIS 84 HE2 HIS 84 9.029 30.058 -36.362 Start of MODEL 6 1 H1 MET 1 1H MET 1 1.003 12.849 -12.690 2 H2 MET 1 2H MET 1 -0.659 12.578 -12.819 3 H3 MET 1 3H MET 1 -0.016 14.062 -13.292 4 HA MET 1 HA MET 1 -0.565 12.730 -15.193 5 HB2 MET 1 2HB MET 1 2.434 13.067 -14.719 6 HB3 MET 1 3HB MET 1 1.722 12.738 -16.299 7 HG2 MET 1 2HG MET 1 1.237 15.200 -14.599 8 HG3 MET 1 3HG MET 1 2.214 15.116 -16.069 9 HE1 MET 1 3HE MET 1 -0.314 17.187 -15.503 10 HE2 MET 1 1HE MET 1 -1.064 17.172 -17.100 11 HE3 MET 1 2HE MET 1 0.691 17.258 -16.951 12 H GLY 2 H GLY 2 -0.424 10.778 -16.354 13 HA2 GLY 2 2HA GLY 2 -0.264 8.525 -16.707 14 HA3 GLY 2 3HA GLY 2 1.306 8.634 -15.930 15 H GLN 3 H GLN 3 1.384 6.925 -14.585 16 HA GLN 3 HA GLN 3 -0.938 6.066 -13.017 17 HB2 GLN 3 2HB GLN 3 0.437 4.374 -14.223 18 HB3 GLN 3 3HB GLN 3 1.846 4.849 -13.285 19 HG2 GLN 3 2HG GLN 3 0.752 4.061 -11.220 20 HG3 GLN 3 3HG GLN 3 -0.677 3.602 -12.146 21 HE21 GLN 3 1HE2 GLN 3 2.547 2.694 -11.238 22 HE22 GLN 3 2HE2 GLN 3 2.558 1.158 -12.023 23 H TRP 4 H TRP 4 -1.014 6.093 -10.795 24 HA TRP 4 HA TRP 4 1.207 7.322 -9.258 25 HB2 TRP 4 2HB TRP 4 -1.797 7.247 -8.667 26 HB3 TRP 4 3HB TRP 4 -0.577 7.893 -7.568 27 HD1 TRP 4 HD1 TRP 4 0.945 10.023 -8.672 28 HE1 TRP 4 HE1 TRP 4 0.133 11.949 -10.156 29 HE3 TRP 4 HE3 TRP 4 -3.472 8.008 -10.297 30 HZ2 TRP 4 HZ2 TRP 4 -2.076 12.562 -11.774 31 HZ3 TRP 4 HZ3 TRP 4 -4.884 9.343 -11.813 32 HH2 TRP 4 HH2 TRP 4 -4.198 11.576 -12.537 33 H GLN 5 H GLN 5 2.048 6.100 -7.555 34 HA GLN 5 HA GLN 5 1.071 3.331 -7.250 35 HB2 GLN 5 2HB GLN 5 2.459 3.308 -9.264 36 HB3 GLN 5 3HB GLN 5 3.760 4.148 -8.428 37 HG2 GLN 5 2HG GLN 5 4.133 2.173 -7.007 38 HG3 GLN 5 3HG GLN 5 2.815 1.327 -7.823 39 HE21 GLN 5 1HE2 GLN 5 6.026 2.698 -8.243 40 HE22 GLN 5 2HE2 GLN 5 6.424 1.821 -9.677 41 H ILE 6 H ILE 6 1.422 2.550 -5.246 42 HA ILE 6 HA ILE 6 3.365 3.874 -3.416 43 HB ILE 6 HB ILE 6 0.912 2.282 -2.508 44 HG12 ILE 6 2HG1 ILE 6 0.977 5.322 -2.696 45 HG13 ILE 6 3HG1 ILE 6 0.212 4.296 -3.902 46 HG21 ILE 6 1HG2 ILE 6 2.702 2.564 -0.836 47 HG22 ILE 6 2HG2 ILE 6 1.261 3.464 -0.358 48 HG23 ILE 6 3HG2 ILE 6 2.642 4.319 -1.043 49 HD11 ILE 6 3HD1 ILE 6 -1.407 5.180 -2.352 50 HD12 ILE 6 1HD1 ILE 6 -0.557 4.450 -0.992 51 HD13 ILE 6 2HD1 ILE 6 -1.315 3.426 -2.217 52 H LYS 7 H LYS 7 5.113 2.487 -3.296 53 HA LYS 7 HA LYS 7 4.676 -0.419 -3.041 54 HB2 LYS 7 2HB LYS 7 7.242 1.200 -3.372 55 HB3 LYS 7 3HB LYS 7 7.160 -0.557 -3.249 56 HG2 LYS 7 2HG LYS 7 5.806 -0.626 -5.329 57 HG3 LYS 7 3HG LYS 7 5.966 1.131 -5.467 58 HD2 LYS 7 2HD LYS 7 8.417 0.908 -5.656 59 HD3 LYS 7 3HD LYS 7 8.283 -0.844 -5.463 60 HE2 LYS 7 2HE LYS 7 6.955 -0.952 -7.546 61 HE3 LYS 7 3HE LYS 7 7.144 0.793 -7.741 62 HZ1 LYS 7 3HZ LYS 7 9.503 0.516 -7.955 63 HZ2 LYS 7 1HZ LYS 7 8.734 -0.502 -9.060 64 HZ3 LYS 7 2HZ LYS 7 9.393 -1.139 -7.641 65 H ILE 8 H ILE 8 4.176 -0.939 -0.997 66 HA ILE 8 HA ILE 8 5.313 0.516 1.302 67 HB ILE 8 HB ILE 8 3.106 -1.609 1.154 68 HG12 ILE 8 2HG1 ILE 8 2.793 1.396 1.570 69 HG13 ILE 8 3HG1 ILE 8 2.526 0.577 0.038 70 HG21 ILE 8 1HG2 ILE 8 4.180 -1.638 3.360 71 HG22 ILE 8 2HG2 ILE 8 2.549 -0.977 3.484 72 HG23 ILE 8 3HG2 ILE 8 3.941 0.104 3.523 73 HD11 ILE 8 3HD1 ILE 8 0.439 1.053 1.128 74 HD12 ILE 8 1HD1 ILE 8 0.936 0.166 2.569 75 HD13 ILE 8 2HD1 ILE 8 0.685 -0.689 1.044 76 H TYR 9 H TYR 9 7.351 -0.326 1.629 77 HA TYR 9 HA TYR 9 7.850 -3.218 1.668 78 HB2 TYR 9 2HB TYR 9 9.712 -0.833 2.193 79 HB3 TYR 9 3HB TYR 9 10.221 -2.518 2.136 80 HD1 TYR 9 HD1 TYR 9 8.870 0.281 0.073 81 HD2 TYR 9 HD2 TYR 9 10.675 -3.597 0.020 82 HE1 TYR 9 HE1 TYR 9 9.226 0.476 -2.350 83 HE2 TYR 9 HE2 TYR 9 11.021 -3.398 -2.404 84 HH TYR 9 HH TYR 9 10.653 -0.470 -4.099 85 H SER 10 H SER 10 6.983 -4.095 3.447 86 HA SER 10 HA SER 10 7.643 -2.953 6.098 87 HB2 SER 10 2HB SER 10 5.194 -4.608 5.376 88 HB3 SER 10 3HB SER 10 5.565 -3.901 6.948 89 HG SER 10 HG SER 10 5.465 -2.199 4.739 90 H GLU 11 H GLU 11 8.958 -4.163 7.180 91 HA GLU 11 HA GLU 11 9.751 -6.828 6.411 92 HB2 GLU 11 2HB GLU 11 11.195 -4.938 7.370 93 HB3 GLU 11 3HB GLU 11 10.519 -5.325 8.945 94 HG2 GLU 11 2HG GLU 11 11.562 -7.482 8.949 95 HG3 GLU 11 3HG GLU 11 11.977 -7.367 7.236 96 H ASN 12 H ASN 12 7.405 -5.446 8.454 97 HA ASN 12 HA ASN 12 6.759 -7.989 9.817 98 HB2 ASN 12 2HB ASN 12 7.049 -5.934 11.233 99 HB3 ASN 12 3HB ASN 12 5.766 -5.145 10.339 100 HD21 ASN 12 1HD2 ASN 12 4.578 -4.843 12.251 101 HD22 ASN 12 2HD2 ASN 12 3.775 -6.140 13.058 102 H GLU 13 H GLU 13 4.655 -8.846 9.577 103 HA GLU 13 HA GLU 13 3.300 -8.187 7.039 104 HB2 GLU 13 2HB GLU 13 2.939 -10.610 8.849 105 HB3 GLU 13 3HB GLU 13 2.302 -10.420 7.215 106 HG2 GLU 13 2HG GLU 13 4.542 -10.464 6.272 107 HG3 GLU 13 3HG GLU 13 5.259 -10.463 7.881 108 H ARG 14 H ARG 14 2.842 -7.925 10.464 109 HA ARG 14 HA ARG 14 0.027 -7.773 10.636 110 HB2 ARG 14 2HB ARG 14 1.436 -7.937 12.648 111 HB3 ARG 14 3HB ARG 14 2.172 -6.382 12.297 112 HG2 ARG 14 2HG ARG 14 0.553 -6.215 14.136 113 HG3 ARG 14 3HG ARG 14 0.052 -5.235 12.757 114 HD2 ARG 14 2HD ARG 14 -1.871 -6.375 13.717 115 HD3 ARG 14 3HD ARG 14 -1.555 -7.017 12.105 116 HE ARG 14 HE ARG 14 -0.225 -8.710 13.797 117 HH11 ARG 14 1HH1 ARG 14 -3.598 -7.700 13.552 118 HH12 ARG 14 2HH1 ARG 14 -4.210 -9.191 14.203 119 HH21 ARG 14 1HH2 ARG 14 -1.046 -10.659 14.639 120 HH22 ARG 14 2HH2 ARG 14 -2.761 -10.866 14.814 121 H GLU 15 H GLU 15 2.483 -5.442 9.692 122 HA GLU 15 HA GLU 15 1.033 -3.068 9.491 123 HB2 GLU 15 2HB GLU 15 3.042 -3.869 7.361 124 HB3 GLU 15 3HB GLU 15 2.774 -2.276 8.051 125 HG2 GLU 15 2HG GLU 15 4.055 -4.603 9.497 126 HG3 GLU 15 3HG GLU 15 4.940 -3.350 8.650 127 H PHE 16 H PHE 16 1.571 -5.616 7.081 128 HA PHE 16 HA PHE 16 -0.024 -4.617 5.000 129 HB2 PHE 16 2HB PHE 16 1.215 -7.295 5.628 130 HB3 PHE 16 3HB PHE 16 -0.044 -7.259 4.395 131 HD1 PHE 16 HD2 PHE 16 2.838 -4.994 5.277 132 HD2 PHE 16 HD1 PHE 16 0.862 -7.272 2.240 133 HE1 PHE 16 HE2 PHE 16 4.479 -4.232 3.609 134 HE2 PHE 16 HE1 PHE 16 2.514 -6.506 0.612 135 HZ PHE 16 HZ PHE 16 4.311 -4.986 1.292 136 H ARG 17 H ARG 17 -0.852 -6.678 7.762 137 HA ARG 17 HA ARG 17 -3.209 -7.833 7.030 138 HB2 ARG 17 2HB ARG 17 -2.267 -6.758 9.690 139 HB3 ARG 17 3HB ARG 17 -3.917 -7.348 9.570 140 HG2 ARG 17 2HG ARG 17 -1.547 -9.053 8.761 141 HG3 ARG 17 3HG ARG 17 -2.128 -8.971 10.426 142 HD2 ARG 17 2HD ARG 17 -3.079 -10.921 9.315 143 HD3 ARG 17 3HD ARG 17 -4.359 -9.766 9.686 144 HE ARG 17 HE ARG 17 -3.184 -10.178 6.988 145 HH11 ARG 17 1HH1 ARG 17 -6.009 -9.483 8.990 146 HH12 ARG 17 2HH1 ARG 17 -7.077 -9.371 7.626 147 HH21 ARG 17 1HH2 ARG 17 -4.604 -9.954 5.229 148 HH22 ARG 17 2HH2 ARG 17 -6.288 -9.634 5.512 149 H GLU 18 H GLU 18 -2.993 -4.574 8.497 150 HA GLU 18 HA GLU 18 -5.749 -3.933 8.284 151 HB2 GLU 18 2HB GLU 18 -3.306 -2.148 8.649 152 HB3 GLU 18 3HB GLU 18 -4.970 -1.571 8.763 153 HG2 GLU 18 2HG GLU 18 -5.299 -3.316 10.610 154 HG3 GLU 18 3HG GLU 18 -3.548 -3.516 10.593 155 H LEU 19 H LEU 19 -3.003 -3.398 6.128 156 HA LEU 19 HA LEU 19 -4.317 -1.626 4.319 157 HB2 LEU 19 2HB LEU 19 -1.726 -3.178 4.218 158 HB3 LEU 19 3HB LEU 19 -2.345 -2.471 2.737 159 HG LEU 19 HG LEU 19 -0.704 -0.965 3.700 160 HD11 LEU 19 1HD1 LEU 19 -3.477 0.225 4.069 161 HD12 LEU 19 2HD1 LEU 19 -2.600 0.089 2.542 162 HD13 LEU 19 3HD1 LEU 19 -1.973 1.120 3.825 163 HD21 LEU 19 3HD2 LEU 19 -0.793 -1.649 6.053 164 HD22 LEU 19 1HD2 LEU 19 -2.375 -0.885 6.242 165 HD23 LEU 19 2HD2 LEU 19 -0.947 0.098 5.906 166 H ILE 20 H ILE 20 -4.009 -5.158 4.447 167 HA ILE 20 HA ILE 20 -4.982 -5.631 1.785 168 HB ILE 20 HB ILE 20 -4.811 -7.563 4.157 169 HG12 ILE 20 2HG1 ILE 20 -2.583 -6.718 3.517 170 HG13 ILE 20 3HG1 ILE 20 -2.729 -8.412 3.091 171 HG21 ILE 20 1HG2 ILE 20 -4.950 -9.387 2.482 172 HG22 ILE 20 2HG2 ILE 20 -5.236 -8.198 1.210 173 HG23 ILE 20 3HG2 ILE 20 -6.416 -8.401 2.505 174 HD11 ILE 20 3HD1 ILE 20 -1.535 -7.195 1.394 175 HD12 ILE 20 1HD1 ILE 20 -2.874 -6.065 1.201 176 HD13 ILE 20 2HD1 ILE 20 -3.073 -7.757 0.737 177 H GLU 21 H GLU 21 -6.415 -5.441 5.033 178 HA GLU 21 HA GLU 21 -9.076 -6.128 4.448 179 HB2 GLU 21 2HB GLU 21 -8.075 -4.078 6.466 180 HB3 GLU 21 3HB GLU 21 -9.683 -4.787 6.460 181 HG2 GLU 21 2HG GLU 21 -7.065 -6.173 7.049 182 HG3 GLU 21 3HG GLU 21 -8.369 -5.840 8.175 183 H ARG 22 H ARG 22 -7.460 -2.927 4.423 184 HA ARG 22 HA ARG 22 -9.607 -1.352 3.532 185 HB2 ARG 22 2HB ARG 22 -6.606 -1.002 3.111 186 HB3 ARG 22 3HB ARG 22 -7.780 0.215 2.629 187 HG2 ARG 22 2HG ARG 22 -7.271 -0.746 5.458 188 HG3 ARG 22 3HG ARG 22 -6.748 0.791 4.767 189 HD2 ARG 22 2HD ARG 22 -9.180 1.374 4.409 190 HD3 ARG 22 3HD ARG 22 -9.606 -0.105 5.281 191 HE ARG 22 HE ARG 22 -7.822 1.572 6.760 192 HH11 ARG 22 1HH1 ARG 22 -11.255 1.130 6.002 193 HH12 ARG 22 2HH1 ARG 22 -11.780 1.960 7.435 194 HH21 ARG 22 1HH2 ARG 22 -8.521 2.743 8.521 195 HH22 ARG 22 2HH2 ARG 22 -10.225 2.879 8.863 196 H LEU 23 H LEU 23 -6.986 -2.825 1.640 197 HA LEU 23 HA LEU 23 -7.641 -1.766 -0.846 198 HB2 LEU 23 2HB LEU 23 -5.811 -3.880 0.182 199 HB3 LEU 23 3HB LEU 23 -6.216 -4.026 -1.514 200 HG LEU 23 HG LEU 23 -4.099 -2.824 -1.215 201 HD11 LEU 23 1HD1 LEU 23 -5.484 -2.264 -3.164 202 HD12 LEU 23 2HD1 LEU 23 -4.521 -0.891 -2.630 203 HD13 LEU 23 3HD1 LEU 23 -6.246 -0.952 -2.257 204 HD21 LEU 23 3HD2 LEU 23 -4.441 -1.814 0.983 205 HD22 LEU 23 1HD2 LEU 23 -5.650 -0.712 0.319 206 HD23 LEU 23 2HD2 LEU 23 -3.964 -0.595 -0.193 207 H GLU 24 H GLU 24 -8.836 -4.733 0.653 208 HA GLU 24 HA GLU 24 -10.211 -5.722 -1.683 209 HB2 GLU 24 2HB GLU 24 -10.500 -6.357 1.284 210 HB3 GLU 24 3HB GLU 24 -11.444 -7.164 0.036 211 HG2 GLU 24 2HG GLU 24 -9.391 -8.048 -0.981 212 HG3 GLU 24 3HG GLU 24 -8.417 -7.209 0.224 213 H GLU 25 H GLU 25 -11.121 -3.685 1.089 214 HA GLU 25 HA GLU 25 -13.924 -3.616 0.240 215 HB2 GLU 25 2HB GLU 25 -12.639 -2.412 2.728 216 HB3 GLU 25 3HB GLU 25 -14.364 -2.512 2.397 217 HG2 GLU 25 2HG GLU 25 -12.462 -4.800 2.957 218 HG3 GLU 25 3HG GLU 25 -13.814 -4.258 3.949 219 H GLU 26 H GLU 26 -11.199 -1.721 -0.456 220 HA GLU 26 HA GLU 26 -12.660 0.799 -0.693 221 HB2 GLU 26 2HB GLU 26 -9.876 0.080 -1.749 222 HB3 GLU 26 3HB GLU 26 -10.603 1.678 -1.813 223 HG2 GLU 26 2HG GLU 26 -9.584 0.181 0.594 224 HG3 GLU 26 3HG GLU 26 -9.079 1.748 -0.012 225 H ARG 27 H ARG 27 -14.249 0.742 -2.142 226 HA ARG 27 HA ARG 27 -14.315 -0.864 -4.501 227 HB2 ARG 27 2HB ARG 27 -16.111 1.369 -3.454 228 HB3 ARG 27 3HB ARG 27 -16.376 0.682 -5.050 229 HG2 ARG 27 2HG ARG 27 -17.896 -0.322 -3.424 230 HG3 ARG 27 3HG ARG 27 -16.786 -1.541 -4.045 231 HD2 ARG 27 2HD ARG 27 -15.449 -1.389 -2.000 232 HD3 ARG 27 3HD ARG 27 -16.496 -0.112 -1.385 233 HE ARG 27 HE ARG 27 -18.302 -1.768 -1.254 234 HH11 ARG 27 1HH1 ARG 27 -15.042 -3.067 -1.526 235 HH12 ARG 27 2HH1 ARG 27 -15.462 -4.576 -0.782 236 HH21 ARG 27 1HH2 ARG 27 -18.794 -3.732 -0.188 237 HH22 ARG 27 2HH2 ARG 27 -17.565 -4.950 -0.034 238 HA PRO 28 HA PRO 28 -15.340 -0.737 -6.564 239 HB2 PRO 28 2HB PRO 28 -14.641 -1.008 -9.205 240 HB3 PRO 28 3HB PRO 28 -15.798 0.196 -8.614 241 HG2 PRO 28 2HG PRO 28 -13.015 0.582 -9.530 242 HG3 PRO 28 3HG PRO 28 -14.375 1.717 -9.541 243 HD2 PRO 28 2HD PRO 28 -12.233 1.646 -7.663 244 HD3 PRO 28 3HD PRO 28 -13.706 2.635 -7.562 245 H SER 29 H SER 29 -11.983 -0.714 -7.832 246 HA SER 29 HA SER 29 -11.274 -3.209 -6.569 247 HB2 SER 29 2HB SER 29 -11.481 -3.114 -9.620 248 HB3 SER 29 3HB SER 29 -10.668 -4.394 -8.722 249 HG SER 29 HG SER 29 -12.915 -4.457 -7.618 250 H VAL 30 H VAL 30 -9.627 -2.005 -5.622 251 HA VAL 30 HA VAL 30 -7.861 -0.331 -7.247 252 HB VAL 30 HB VAL 30 -7.574 -0.917 -4.261 253 HG11 VAL 30 1HG1 VAL 30 -6.473 1.324 -6.002 254 HG12 VAL 30 2HG1 VAL 30 -5.557 0.001 -5.268 255 HG13 VAL 30 3HG1 VAL 30 -6.310 1.227 -4.249 256 HG21 VAL 30 3HG2 VAL 30 -9.810 -0.000 -4.631 257 HG22 VAL 30 1HG2 VAL 30 -9.135 1.351 -5.549 258 HG23 VAL 30 2HG2 VAL 30 -8.786 1.188 -3.825 259 H GLN 31 H GLN 31 -6.097 -1.152 -8.184 260 HA GLN 31 HA GLN 31 -5.431 -3.917 -7.949 261 HB2 GLN 31 2HB GLN 31 -3.974 -1.702 -9.465 262 HB3 GLN 31 3HB GLN 31 -3.764 -3.434 -9.714 263 HG2 GLN 31 2HG GLN 31 -6.328 -1.888 -10.202 264 HG3 GLN 31 3HG GLN 31 -5.204 -2.426 -11.448 265 HE21 GLN 31 1HE2 GLN 31 -8.100 -3.074 -10.889 266 HE22 GLN 31 2HE2 GLN 31 -8.159 -4.802 -10.868 267 H TYR 32 H TYR 32 -4.015 -4.870 -6.645 268 HA TYR 32 HA TYR 32 -1.594 -3.588 -5.677 269 HB2 TYR 32 2HB TYR 32 -2.041 -3.872 -3.320 270 HB3 TYR 32 3HB TYR 32 -3.388 -2.967 -3.991 271 HD1 TYR 32 HD1 TYR 32 -5.520 -4.450 -4.675 272 HD2 TYR 32 HD2 TYR 32 -2.528 -5.687 -1.889 273 HE1 TYR 32 HE1 TYR 32 -7.107 -6.045 -3.666 274 HE2 TYR 32 HE2 TYR 32 -4.107 -7.272 -0.881 275 HH TYR 32 HH TYR 32 -6.584 -7.515 -0.679 276 H THR 33 H THR 33 -0.033 -5.127 -5.025 277 HA THR 33 HA THR 33 -0.736 -7.972 -4.944 278 HB THR 33 HB THR 33 1.301 -6.834 -6.926 279 HG1 THR 33 HG1 THR 33 -1.312 -7.822 -7.153 280 HG21 THR 33 3HG2 THR 33 2.157 -8.954 -6.015 281 HG22 THR 33 1HG2 THR 33 1.623 -9.176 -7.682 282 HG23 THR 33 2HG2 THR 33 0.613 -9.742 -6.351 283 H GLU 34 H GLU 34 0.451 -9.039 -3.476 284 HA GLU 34 HA GLU 34 2.588 -7.714 -1.986 285 HB2 GLU 34 2HB GLU 34 0.588 -9.079 -0.983 286 HB3 GLU 34 3HB GLU 34 1.452 -10.515 -1.498 287 HG2 GLU 34 2HG GLU 34 2.457 -8.456 0.485 288 HG3 GLU 34 3HG GLU 34 1.761 -10.012 0.901 289 H THR 35 H THR 35 4.618 -7.944 -2.706 290 HA THR 35 HA THR 35 5.559 -10.452 -3.974 291 HB THR 35 HB THR 35 6.554 -7.586 -4.414 292 HG1 THR 35 HG1 THR 35 4.722 -9.210 -5.705 293 HG21 THR 35 3HG2 THR 35 8.428 -9.198 -4.603 294 HG22 THR 35 1HG2 THR 35 7.999 -8.533 -6.181 295 HG23 THR 35 2HG2 THR 35 7.488 -10.163 -5.743 296 H THR 36 H THR 36 6.983 -11.515 -2.661 297 HA THR 36 HA THR 36 8.120 -10.131 -0.335 298 HB THR 36 HB THR 36 8.256 -13.097 -1.043 299 HG1 THR 36 HG1 THR 36 6.166 -11.569 -0.220 300 HG21 THR 36 3HG2 THR 36 9.934 -12.360 0.647 301 HG22 THR 36 1HG2 THR 36 8.699 -13.392 1.368 302 HG23 THR 36 2HG2 THR 36 8.640 -11.644 1.615 303 H ARG 37 H ARG 37 9.902 -9.011 -0.854 304 HA ARG 37 HA ARG 37 12.060 -10.304 -2.426 305 HB2 ARG 37 2HB ARG 37 10.852 -8.508 -3.704 306 HB3 ARG 37 3HB ARG 37 11.327 -7.345 -2.469 307 HG2 ARG 37 2HG ARG 37 13.676 -7.622 -3.034 308 HG3 ARG 37 3HG ARG 37 13.296 -8.942 -4.142 309 HD2 ARG 37 2HD ARG 37 12.507 -6.030 -4.464 310 HD3 ARG 37 3HD ARG 37 13.713 -6.901 -5.408 311 HE ARG 37 HE ARG 37 10.858 -6.917 -5.767 312 HH11 ARG 37 1HH1 ARG 37 13.754 -8.856 -6.373 313 HH12 ARG 37 2HH1 ARG 37 13.029 -9.715 -7.698 314 HH21 ARG 37 1HH2 ARG 37 9.955 -8.049 -7.526 315 HH22 ARG 37 2HH2 ARG 37 10.894 -9.264 -8.347 316 H ASN 38 H ASN 38 13.971 -10.381 -1.447 317 HA ASN 38 HA ASN 38 15.601 -10.331 0.120 318 HB2 ASN 38 2HB ASN 38 14.503 -7.560 0.798 319 HB3 ASN 38 3HB ASN 38 16.005 -8.214 1.435 320 HD21 ASN 38 1HD2 ASN 38 14.418 -6.931 -1.385 321 HD22 ASN 38 2HD2 ASN 38 15.850 -6.719 -2.328 322 H GLY 39 H GLY 39 12.918 -11.414 0.691 323 HA2 GLY 39 2HA GLY 39 11.966 -12.584 2.434 324 HA3 GLY 39 3HA GLY 39 13.176 -11.927 3.526 325 H ARG 40 H ARG 40 12.053 -9.246 2.119 326 HA ARG 40 HA ARG 40 10.196 -8.613 4.295 327 HB2 ARG 40 2HB ARG 40 11.461 -6.792 2.182 328 HB3 ARG 40 3HB ARG 40 10.545 -6.270 3.594 329 HG2 ARG 40 2HG ARG 40 12.302 -7.067 5.087 330 HG3 ARG 40 3HG ARG 40 13.196 -7.742 3.722 331 HD2 ARG 40 2HD ARG 40 13.435 -5.432 2.792 332 HD3 ARG 40 3HD ARG 40 12.629 -4.802 4.227 333 HE ARG 40 HE ARG 40 14.511 -5.629 5.546 334 HH11 ARG 40 1HH1 ARG 40 15.098 -5.315 2.073 335 HH12 ARG 40 2HH1 ARG 40 16.821 -5.190 2.266 336 HH21 ARG 40 1HH2 ARG 40 16.759 -5.431 5.770 337 HH22 ARG 40 2HH2 ARG 40 17.755 -5.256 4.361 338 H ARG 41 H ARG 41 8.102 -7.824 3.852 339 HA ARG 41 HA ARG 41 6.869 -8.704 1.369 340 HB2 ARG 41 2HB ARG 41 5.621 -7.228 3.740 341 HB3 ARG 41 3HB ARG 41 4.759 -8.103 2.484 342 HG2 ARG 41 2HG ARG 41 6.533 -9.321 4.625 343 HG3 ARG 41 3HG ARG 41 4.772 -9.364 4.577 344 HD2 ARG 41 2HD ARG 41 4.956 -10.666 2.406 345 HD3 ARG 41 3HD ARG 41 6.700 -10.754 2.688 346 HE ARG 41 HE ARG 41 5.198 -11.693 4.935 347 HH11 ARG 41 1HH1 ARG 41 6.339 -12.743 1.779 348 HH12 ARG 41 2HH1 ARG 41 6.310 -14.424 2.208 349 HH21 ARG 41 1HH2 ARG 41 5.153 -13.918 5.454 350 HH22 ARG 41 2HH2 ARG 41 5.650 -15.080 4.259 351 H GLN 42 H GLN 42 6.210 -7.300 -0.315 352 HA GLN 42 HA GLN 42 6.145 -4.403 0.248 353 HB2 GLN 42 2HB GLN 42 7.277 -3.758 -1.783 354 HB3 GLN 42 3HB GLN 42 8.328 -4.824 -0.863 355 HG2 GLN 42 2HG GLN 42 7.897 -6.650 -2.383 356 HG3 GLN 42 3HG GLN 42 6.678 -5.715 -3.240 357 HE21 GLN 42 1HE2 GLN 42 7.351 -4.011 -4.594 358 HE22 GLN 42 2HE2 GLN 42 8.967 -3.916 -5.194 359 H LEU 43 H LEU 43 4.331 -3.485 -0.374 360 HA LEU 43 HA LEU 43 2.430 -4.986 -2.069 361 HB2 LEU 43 2HB LEU 43 1.986 -4.041 0.402 362 HB3 LEU 43 3HB LEU 43 1.702 -2.531 -0.430 363 HG LEU 43 HG LEU 43 -0.170 -3.552 -1.676 364 HD11 LEU 43 1HD1 LEU 43 0.464 -6.087 -0.155 365 HD12 LEU 43 2HD1 LEU 43 0.604 -5.831 -1.896 366 HD13 LEU 43 3HD1 LEU 43 -0.978 -5.815 -1.130 367 HD21 LEU 43 3HD2 LEU 43 -0.402 -4.031 1.313 368 HD22 LEU 43 1HD2 LEU 43 -1.747 -3.820 0.186 369 HD23 LEU 43 2HD2 LEU 43 -0.640 -2.484 0.494 370 H THR 44 H THR 44 2.739 -4.380 -4.168 371 HA THR 44 HA THR 44 3.292 -1.578 -4.854 372 HB THR 44 HB THR 44 3.051 -4.015 -6.685 373 HG1 THR 44 HG1 THR 44 4.825 -4.022 -5.111 374 HG21 THR 44 3HG2 THR 44 2.704 -1.886 -7.910 375 HG22 THR 44 1HG2 THR 44 4.246 -2.624 -8.352 376 HG23 THR 44 2HG2 THR 44 4.211 -1.251 -7.243 377 H ILE 45 H ILE 45 1.533 -0.370 -4.772 378 HA ILE 45 HA ILE 45 -1.131 -1.399 -5.521 379 HB ILE 45 HB ILE 45 -0.373 1.007 -3.783 380 HG12 ILE 45 2HG1 ILE 45 -1.489 -1.707 -2.930 381 HG13 ILE 45 3HG1 ILE 45 0.186 -1.206 -2.743 382 HG21 ILE 45 1HG2 ILE 45 -2.532 1.351 -4.924 383 HG22 ILE 45 2HG2 ILE 45 -2.779 1.113 -3.194 384 HG23 ILE 45 3HG2 ILE 45 -3.117 -0.203 -4.319 385 HD11 ILE 45 3HD1 ILE 45 -0.524 0.573 -1.230 386 HD12 ILE 45 1HD1 ILE 45 -0.996 -1.028 -0.669 387 HD13 ILE 45 2HD1 ILE 45 -2.199 0.036 -1.396 388 H ARG 46 H ARG 46 -1.542 -0.882 -7.566 389 HA ARG 46 HA ARG 46 -0.526 1.597 -8.796 390 HB2 ARG 46 2HB ARG 46 -1.839 -0.861 -10.047 391 HB3 ARG 46 3HB ARG 46 -1.091 0.475 -10.925 392 HG2 ARG 46 2HG ARG 46 1.115 -0.114 -10.022 393 HG3 ARG 46 3HG ARG 46 0.396 -1.389 -9.034 394 HD2 ARG 46 2HD ARG 46 1.469 -2.322 -11.040 395 HD3 ARG 46 3HD ARG 46 -0.275 -2.595 -11.071 396 HE ARG 46 HE ARG 46 0.048 -0.269 -12.433 397 HH11 ARG 46 1HH1 ARG 46 1.360 -3.507 -12.895 398 HH12 ARG 46 2HH1 ARG 46 1.513 -3.311 -14.614 399 HH21 ARG 46 1HH2 ARG 46 0.300 -0.021 -14.649 400 HH22 ARG 46 2HH2 ARG 46 0.913 -1.333 -15.607 401 H SER 47 H SER 47 -1.864 3.257 -8.808 402 HA SER 47 HA SER 47 -4.797 2.912 -8.756 403 HB2 SER 47 2HB SER 47 -4.104 3.541 -6.516 404 HB3 SER 47 3HB SER 47 -3.058 4.819 -7.137 405 HG SER 47 HG SER 47 -5.881 4.718 -7.051 406 H ASN 48 H ASN 48 -5.993 4.586 -9.687 407 HA ASN 48 HA ASN 48 -4.608 6.170 -11.788 408 HB2 ASN 48 2HB ASN 48 -6.649 5.682 -13.205 409 HB3 ASN 48 3HB ASN 48 -5.666 4.272 -12.843 410 HD21 ASN 48 1HD2 ASN 48 -8.718 5.886 -12.149 411 HD22 ASN 48 2HD2 ASN 48 -9.488 4.509 -11.437 412 H ASP 49 H ASP 49 -6.011 6.648 -8.978 413 HA ASP 49 HA ASP 49 -7.299 9.181 -9.748 414 HB2 ASP 49 2HB ASP 49 -9.161 7.558 -9.571 415 HB3 ASP 49 3HB ASP 49 -8.618 7.070 -7.970 416 H LYS 50 H LYS 50 -7.048 10.817 -8.173 417 HA LYS 50 HA LYS 50 -4.806 10.479 -6.445 418 HB2 LYS 50 2HB LYS 50 -6.699 12.846 -6.724 419 HB3 LYS 50 3HB LYS 50 -5.250 12.858 -5.726 420 HG2 LYS 50 2HG LYS 50 -5.390 12.629 -8.744 421 HG3 LYS 50 3HG LYS 50 -4.756 13.975 -7.802 422 HD2 LYS 50 2HD LYS 50 -3.542 11.198 -8.062 423 HD3 LYS 50 3HD LYS 50 -2.915 12.694 -8.744 424 HE2 LYS 50 2HE LYS 50 -3.072 12.003 -5.791 425 HE3 LYS 50 3HE LYS 50 -1.616 12.049 -6.781 426 HZ1 LYS 50 3HZ LYS 50 -1.922 14.403 -7.086 427 HZ2 LYS 50 1HZ LYS 50 -1.868 14.034 -5.446 428 HZ3 LYS 50 2HZ LYS 50 -3.346 14.378 -6.177 429 H ASN 51 H ASN 51 -8.307 10.784 -5.812 430 HA ASN 51 HA ASN 51 -8.122 10.978 -2.968 431 HB2 ASN 51 2HB ASN 51 -10.457 9.738 -4.504 432 HB3 ASN 51 3HB ASN 51 -10.507 10.478 -2.909 433 HD21 ASN 51 1HD2 ASN 51 -10.434 11.050 -6.337 434 HD22 ASN 51 2HD2 ASN 51 -10.778 12.744 -6.265 435 H GLU 52 H GLU 52 -8.187 8.332 -5.227 436 HA GLU 52 HA GLU 52 -8.582 6.167 -3.412 437 HB2 GLU 52 2HB GLU 52 -9.174 6.084 -5.790 438 HB3 GLU 52 3HB GLU 52 -7.489 6.263 -6.253 439 HG2 GLU 52 2HG GLU 52 -6.971 4.070 -5.332 440 HG3 GLU 52 3HG GLU 52 -8.620 3.894 -4.732 441 H VAL 53 H VAL 53 -5.647 7.337 -5.172 442 HA VAL 53 HA VAL 53 -3.864 5.490 -3.997 443 HB VAL 53 HB VAL 53 -3.370 6.678 -6.133 444 HG11 VAL 53 1HG1 VAL 53 -2.711 9.108 -4.444 445 HG12 VAL 53 2HG1 VAL 53 -4.042 8.963 -5.590 446 HG13 VAL 53 3HG1 VAL 53 -2.378 8.928 -6.173 447 HG21 VAL 53 3HG2 VAL 53 -0.943 6.920 -5.799 448 HG22 VAL 53 1HG2 VAL 53 -1.569 5.497 -4.963 449 HG23 VAL 53 2HG2 VAL 53 -1.180 6.958 -4.051 450 H ASP 54 H ASP 54 -4.717 8.829 -3.124 451 HA ASP 54 HA ASP 54 -2.725 9.038 -1.075 452 HB2 ASP 54 2HB ASP 54 -5.058 10.817 -1.853 453 HB3 ASP 54 3HB ASP 54 -4.022 11.194 -0.485 454 H ARG 55 H ARG 55 -6.051 7.881 -1.116 455 HA ARG 55 HA ARG 55 -6.555 8.136 1.683 456 HB2 ARG 55 2HB ARG 55 -8.362 7.711 -0.031 457 HB3 ARG 55 3HB ARG 55 -7.782 6.057 -0.189 458 HG2 ARG 55 2HG ARG 55 -9.775 6.205 1.287 459 HG3 ARG 55 3HG ARG 55 -8.365 5.600 2.163 460 HD2 ARG 55 2HD ARG 55 -7.988 7.860 3.108 461 HD3 ARG 55 3HD ARG 55 -9.393 8.463 2.224 462 HE ARG 55 HE ARG 55 -10.213 6.309 3.829 463 HH11 ARG 55 1HH1 ARG 55 -9.009 9.601 4.258 464 HH12 ARG 55 2HH1 ARG 55 -9.852 9.835 5.757 465 HH21 ARG 55 1HH2 ARG 55 -11.352 6.688 5.793 466 HH22 ARG 55 2HH2 ARG 55 -11.161 8.206 6.613 467 H ILE 56 H ILE 56 -5.069 5.634 -0.284 468 HA ILE 56 HA ILE 56 -4.725 3.745 1.894 469 HB ILE 56 HB ILE 56 -3.481 3.752 -0.896 470 HG12 ILE 56 2HG1 ILE 56 -6.015 2.299 0.018 471 HG13 ILE 56 3HG1 ILE 56 -6.024 3.808 -0.888 472 HG21 ILE 56 1HG2 ILE 56 -3.821 1.496 1.112 473 HG22 ILE 56 2HG2 ILE 56 -2.299 2.269 0.662 474 HG23 ILE 56 3HG2 ILE 56 -3.193 1.318 -0.526 475 HD11 ILE 56 3HD1 ILE 56 -6.440 1.940 -2.335 476 HD12 ILE 56 1HD1 ILE 56 -4.929 1.174 -1.844 477 HD13 ILE 56 2HD1 ILE 56 -4.900 2.693 -2.745 478 H LEU 57 H LEU 57 -2.853 6.144 0.141 479 HA LEU 57 HA LEU 57 -0.268 5.628 1.091 480 HB2 LEU 57 2HB LEU 57 -0.905 7.060 -0.886 481 HB3 LEU 57 3HB LEU 57 -1.437 8.299 0.232 482 HG LEU 57 HG LEU 57 0.911 8.525 1.064 483 HD11 LEU 57 1HD1 LEU 57 1.744 6.288 0.602 484 HD12 LEU 57 2HD1 LEU 57 2.771 7.510 -0.143 485 HD13 LEU 57 3HD1 LEU 57 1.641 6.585 -1.136 486 HD21 LEU 57 3HD2 LEU 57 0.599 8.904 -1.930 487 HD22 LEU 57 1HD2 LEU 57 1.796 9.701 -0.905 488 HD23 LEU 57 2HD2 LEU 57 0.081 10.036 -0.678 489 H GLU 58 H GLU 58 -2.895 7.662 2.402 490 HA GLU 58 HA GLU 58 -1.363 8.525 4.677 491 HB2 GLU 58 2HB GLU 58 -3.448 9.451 5.569 492 HB3 GLU 58 3HB GLU 58 -3.213 9.924 3.894 493 HG2 GLU 58 2HG GLU 58 -4.851 8.198 3.204 494 HG3 GLU 58 3HG GLU 58 -5.114 7.793 4.893 495 H GLU 59 H GLU 59 -3.858 5.953 4.131 496 HA GLU 59 HA GLU 59 -4.286 5.105 6.724 497 HB2 GLU 59 2HB GLU 59 -4.392 3.616 4.096 498 HB3 GLU 59 3HB GLU 59 -4.595 2.709 5.589 499 HG2 GLU 59 2HG GLU 59 -6.331 4.996 4.631 500 HG3 GLU 59 3HG GLU 59 -6.757 3.286 4.639 501 H VAL 60 H VAL 60 -1.679 3.933 4.585 502 HA VAL 60 HA VAL 60 -0.627 2.055 6.426 503 HB VAL 60 HB VAL 60 -0.138 1.812 4.063 504 HG11 VAL 60 1HG1 VAL 60 1.387 3.270 2.816 505 HG12 VAL 60 2HG1 VAL 60 1.491 4.364 4.197 506 HG13 VAL 60 3HG1 VAL 60 -0.046 4.150 3.354 507 HG21 VAL 60 3HG2 VAL 60 2.412 2.318 5.634 508 HG22 VAL 60 1HG2 VAL 60 2.288 1.357 4.154 509 HG23 VAL 60 2HG2 VAL 60 1.470 0.826 5.621 510 H ARG 61 H ARG 61 0.222 5.462 5.763 511 HA ARG 61 HA ARG 61 2.449 5.504 7.599 512 HB2 ARG 61 2HB ARG 61 0.934 7.789 6.264 513 HB3 ARG 61 3HB ARG 61 2.450 7.958 7.143 514 HG2 ARG 61 2HG ARG 61 3.563 6.470 5.475 515 HG3 ARG 61 3HG ARG 61 2.049 6.391 4.569 516 HD2 ARG 61 2HD ARG 61 3.631 8.040 3.606 517 HD3 ARG 61 3HD ARG 61 2.135 8.806 4.155 518 HE ARG 61 HE ARG 61 4.395 8.777 6.013 519 HH11 ARG 61 1HH1 ARG 61 2.551 10.694 3.695 520 HH12 ARG 61 2HH1 ARG 61 3.158 12.209 4.288 521 HH21 ARG 61 1HH2 ARG 61 5.158 10.757 6.781 522 HH22 ARG 61 2HH2 ARG 61 4.640 12.243 6.044 523 H ARG 62 H ARG 62 -0.976 5.866 7.944 524 HA ARG 62 HA ARG 62 -0.941 7.486 10.357 525 HB2 ARG 62 2HB ARG 62 -3.180 6.064 8.848 526 HB3 ARG 62 3HB ARG 62 -3.457 6.899 10.370 527 HG2 ARG 62 2HG ARG 62 -2.563 8.131 7.757 528 HG3 ARG 62 3HG ARG 62 -4.121 8.330 8.551 529 HD2 ARG 62 2HD ARG 62 -1.448 9.346 9.575 530 HD3 ARG 62 3HD ARG 62 -2.734 10.314 8.853 531 HE ARG 62 HE ARG 62 -3.215 8.797 11.345 532 HH11 ARG 62 1HH1 ARG 62 -3.147 11.895 9.658 533 HH12 ARG 62 2HH1 ARG 62 -3.895 12.757 10.963 534 HH21 ARG 62 1HH2 ARG 62 -4.162 9.948 13.062 535 HH22 ARG 62 2HH2 ARG 62 -4.470 11.646 12.897 536 H LYS 63 H LYS 63 -1.386 4.075 9.489 537 HA LYS 63 HA LYS 63 -1.960 3.300 12.262 538 HB2 LYS 63 2HB LYS 63 -1.872 1.706 9.660 539 HB3 LYS 63 3HB LYS 63 -2.208 0.982 11.229 540 HG2 LYS 63 2HG LYS 63 -3.883 3.109 9.868 541 HG3 LYS 63 3HG LYS 63 -4.276 1.389 9.987 542 HD2 LYS 63 2HD LYS 63 -4.317 1.611 12.485 543 HD3 LYS 63 3HD LYS 63 -4.023 3.345 12.311 544 HE2 LYS 63 2HE LYS 63 -6.392 2.925 12.686 545 HE3 LYS 63 3HE LYS 63 -6.151 3.556 11.057 546 HZ1 LYS 63 3HZ LYS 63 -6.363 1.345 10.180 547 HZ2 LYS 63 1HZ LYS 63 -7.710 1.693 11.142 548 HZ3 LYS 63 2HZ LYS 63 -6.487 0.685 11.732 549 H VAL 64 H VAL 64 0.531 2.849 9.791 550 HA VAL 64 HA VAL 64 2.342 1.642 11.780 551 HB VAL 64 HB VAL 64 3.094 -0.042 10.056 552 HG11 VAL 64 1HG1 VAL 64 1.237 -1.597 10.458 553 HG12 VAL 64 2HG1 VAL 64 0.179 -0.252 10.885 554 HG13 VAL 64 3HG1 VAL 64 1.568 -0.637 11.901 555 HG21 VAL 64 3HG2 VAL 64 0.569 0.749 8.548 556 HG22 VAL 64 1HG2 VAL 64 1.601 -0.640 8.173 557 HG23 VAL 64 2HG2 VAL 64 2.220 1.002 7.990 558 HA PRO 65 HA PRO 65 4.683 5.007 9.635 559 HB2 PRO 65 2HB PRO 65 5.854 6.066 11.844 560 HB3 PRO 65 3HB PRO 65 4.154 6.406 11.455 561 HG2 PRO 65 2HG PRO 65 5.261 4.417 13.416 562 HG3 PRO 65 3HG PRO 65 3.932 5.581 13.627 563 HD2 PRO 65 2HD PRO 65 3.505 2.939 13.018 564 HD3 PRO 65 3HD PRO 65 2.396 4.236 12.521 565 H ASN 66 H ASN 66 5.431 2.186 11.348 566 HA ASN 66 HA ASN 66 8.309 2.238 11.141 567 HB2 ASN 66 2HB ASN 66 6.341 -0.017 11.738 568 HB3 ASN 66 3HB ASN 66 8.093 -0.193 11.801 569 HD21 ASN 66 1HD2 ASN 66 6.092 -0.535 13.921 570 HD22 ASN 66 2HD2 ASN 66 6.547 0.539 15.195 571 H ALA 67 H ALA 67 5.665 1.424 9.072 572 HA ALA 67 HA ALA 67 7.042 -0.324 7.265 573 HB1 ALA 67 3HB ALA 67 4.587 -0.358 7.470 574 HB2 ALA 67 1HB ALA 67 5.073 -0.009 5.811 575 HB3 ALA 67 2HB ALA 67 4.495 1.292 6.855 576 H ARG 68 H ARG 68 8.337 0.198 5.575 577 HA ARG 68 HA ARG 68 9.136 2.925 5.031 578 HB2 ARG 68 2HB ARG 68 10.734 0.972 5.013 579 HB3 ARG 68 3HB ARG 68 9.890 0.320 3.620 580 HG2 ARG 68 2HG ARG 68 11.755 1.312 2.656 581 HG3 ARG 68 3HG ARG 68 10.533 2.559 2.451 582 HD2 ARG 68 2HD ARG 68 12.533 2.537 4.733 583 HD3 ARG 68 3HD ARG 68 12.810 3.363 3.207 584 HE ARG 68 HE ARG 68 11.085 4.896 3.719 585 HH11 ARG 68 1HH1 ARG 68 11.854 2.803 6.451 586 HH12 ARG 68 2HH1 ARG 68 11.133 3.871 7.619 587 HH21 ARG 68 1HH2 ARG 68 10.118 6.257 5.252 588 HH22 ARG 68 2HH2 ARG 68 10.151 5.826 6.932 589 H VAL 69 H VAL 69 7.630 4.137 3.943 590 HA VAL 69 HA VAL 69 5.955 2.866 1.857 591 HB VAL 69 HB VAL 69 5.545 5.536 3.294 592 HG11 VAL 69 1HG1 VAL 69 4.440 5.497 1.101 593 HG12 VAL 69 2HG1 VAL 69 3.242 5.447 2.395 594 HG13 VAL 69 3HG1 VAL 69 3.642 3.975 1.508 595 HG21 VAL 69 3HG2 VAL 69 3.805 4.385 4.618 596 HG22 VAL 69 1HG2 VAL 69 5.392 3.654 4.876 597 HG23 VAL 69 2HG2 VAL 69 4.212 2.857 3.835 598 H ARG 70 H ARG 70 6.888 3.030 -0.072 599 HA ARG 70 HA ARG 70 8.336 5.464 -0.913 600 HB2 ARG 70 2HB ARG 70 9.548 3.349 -1.200 601 HB3 ARG 70 3HB ARG 70 8.199 2.646 -2.088 602 HG2 ARG 70 2HG ARG 70 9.934 3.239 -3.660 603 HG3 ARG 70 3HG ARG 70 8.573 4.329 -3.908 604 HD2 ARG 70 2HD ARG 70 9.795 6.050 -2.526 605 HD3 ARG 70 3HD ARG 70 11.187 4.964 -2.475 606 HE ARG 70 HE ARG 70 10.261 6.574 -4.707 607 HH11 ARG 70 1HH1 ARG 70 12.342 3.865 -3.824 608 HH12 ARG 70 2HH1 ARG 70 13.305 4.001 -5.261 609 HH21 ARG 70 1HH2 ARG 70 11.515 6.703 -6.569 610 HH22 ARG 70 2HH2 ARG 70 12.837 5.603 -6.810 611 H GLU 71 H GLU 71 6.826 6.917 -1.652 612 HA GLU 71 HA GLU 71 4.701 6.077 -3.495 613 HB2 GLU 71 2HB GLU 71 4.317 7.770 -1.674 614 HB3 GLU 71 3HB GLU 71 5.408 8.872 -2.493 615 HG2 GLU 71 2HG GLU 71 2.916 7.784 -3.817 616 HG3 GLU 71 3HG GLU 71 2.873 9.211 -2.798 617 H THR 72 H THR 72 4.851 6.301 -5.632 618 HA THR 72 HA THR 72 7.041 7.741 -6.955 619 HB THR 72 HB THR 72 7.317 5.663 -8.496 620 HG1 THR 72 HG1 THR 72 5.412 4.730 -6.888 621 HG21 THR 72 3HG2 THR 72 9.085 6.282 -6.883 622 HG22 THR 72 1HG2 THR 72 8.942 4.531 -7.040 623 HG23 THR 72 2HG2 THR 72 8.270 5.347 -5.627 624 H GLU 73 H GLU 73 6.073 8.971 -8.533 625 HA GLU 73 HA GLU 73 3.599 8.051 -9.834 626 HB2 GLU 73 2HB GLU 73 3.827 10.473 -9.209 627 HB3 GLU 73 3HB GLU 73 5.189 10.615 -10.321 628 HG2 GLU 73 2HG GLU 73 3.652 9.918 -12.197 629 HG3 GLU 73 3HG GLU 73 2.313 9.954 -11.058 630 H THR 74 H THR 74 3.676 6.938 -11.713 631 HA THR 74 HA THR 74 6.219 6.494 -13.081 632 HB THR 74 HB THR 74 3.558 5.170 -13.755 633 HG1 THR 74 HG1 THR 74 5.355 4.042 -11.886 634 HG21 THR 74 3HG2 THR 74 6.420 4.142 -13.914 635 HG22 THR 74 1HG2 THR 74 5.472 4.719 -15.286 636 HG23 THR 74 2HG2 THR 74 4.974 3.265 -14.416 637 H GLY 75 H GLY 75 4.005 8.829 -13.312 638 HA2 GLY 75 2HA GLY 75 3.371 9.068 -16.074 639 HA3 GLY 75 3HA GLY 75 3.274 10.335 -14.867 640 H SER 76 H SER 76 5.412 8.677 -17.102 641 HA SER 76 HA SER 76 7.110 11.085 -17.396 642 HB2 SER 76 2HB SER 76 8.174 8.218 -17.161 643 HB3 SER 76 3HB SER 76 9.139 9.678 -17.376 644 HG SER 76 HG SER 76 7.753 10.181 -15.259 645 H LEU 77 H LEU 77 4.966 10.384 -19.003 646 HA LEU 77 HA LEU 77 5.647 8.706 -21.229 647 HB2 LEU 77 2HB LEU 77 3.335 10.648 -20.823 648 HB3 LEU 77 3HB LEU 77 3.505 9.590 -22.211 649 HG LEU 77 HG LEU 77 3.386 7.611 -20.577 650 HD11 LEU 77 1HD1 LEU 77 2.378 9.701 -18.628 651 HD12 LEU 77 2HD1 LEU 77 3.874 8.776 -18.480 652 HD13 LEU 77 3HD1 LEU 77 2.320 7.949 -18.403 653 HD21 LEU 77 3HD2 LEU 77 0.941 9.383 -20.827 654 HD22 LEU 77 1HD2 LEU 77 0.938 7.653 -20.468 655 HD23 LEU 77 2HD2 LEU 77 1.521 8.227 -22.028 656 H GLU 78 H GLU 78 6.773 9.302 -22.957 657 HA GLU 78 HA GLU 78 7.625 11.991 -23.497 658 HB2 GLU 78 2HB GLU 78 7.830 9.494 -25.233 659 HB3 GLU 78 3HB GLU 78 8.619 11.031 -25.577 660 HG2 GLU 78 2HG GLU 78 9.874 10.800 -23.409 661 HG3 GLU 78 3HG GLU 78 9.176 9.189 -23.237 662 H HIS 79 H HIS 79 7.332 12.930 -25.722 663 HA HIS 79 HA HIS 79 4.532 13.423 -26.177 664 HB2 HIS 79 2HB HIS 79 6.919 14.391 -27.822 665 HB3 HIS 79 3HB HIS 79 5.300 15.078 -27.824 666 HD1 HIS 79 HD1 HIS 79 4.643 16.577 -25.770 667 HD2 HIS 79 HD2 HIS 79 8.570 15.220 -25.717 668 HE1 HIS 79 HE1 HIS 79 5.821 17.964 -24.036 669 HE2 HIS 79 HE2 HIS 79 8.155 17.045 -23.945 670 H HIS 80 H HIS 80 3.244 12.444 -27.657 671 HA HIS 80 HA HIS 80 4.365 10.602 -29.663 672 HB2 HIS 80 2HB HIS 80 1.475 11.114 -28.798 673 HB3 HIS 80 3HB HIS 80 1.945 9.986 -30.066 674 HD1 HIS 80 HD1 HIS 80 1.279 10.116 -26.521 675 HD2 HIS 80 HD2 HIS 80 3.679 7.815 -29.010 676 HE1 HIS 80 HE1 HIS 80 1.829 8.056 -25.204 677 HE2 HIS 80 HE2 HIS 80 3.375 6.734 -26.684 678 H HIS 81 H HIS 81 5.094 11.766 -31.402 679 HA HIS 81 HA HIS 81 3.868 14.160 -32.386 680 HB2 HIS 81 2HB HIS 81 6.303 13.561 -32.739 681 HB3 HIS 81 3HB HIS 81 5.796 12.307 -33.863 682 HD1 HIS 81 HD1 HIS 81 6.551 15.898 -33.636 683 HD2 HIS 81 HD2 HIS 81 4.632 13.378 -36.334 684 HE1 HIS 81 HE1 HIS 81 6.386 17.196 -35.779 685 HE2 HIS 81 HE2 HIS 81 5.066 15.722 -37.321 686 H HIS 82 H HIS 82 1.721 13.810 -32.824 687 HA HIS 82 HA HIS 82 0.664 11.557 -34.199 688 HB2 HIS 82 2HB HIS 82 -1.467 12.865 -34.311 689 HB3 HIS 82 3HB HIS 82 -0.782 12.795 -32.696 690 HD1 HIS 82 HD1 HIS 82 -0.327 14.982 -31.544 691 HD2 HIS 82 HD2 HIS 82 -1.256 15.488 -35.558 692 HE1 HIS 82 HE1 HIS 82 -0.646 17.453 -31.859 693 HE2 HIS 82 HE2 HIS 82 -1.271 17.726 -34.273 694 H HIS 83 H HIS 83 0.182 11.221 -36.298 695 HA HIS 83 HA HIS 83 1.209 13.146 -38.320 696 HB2 HIS 83 2HB HIS 83 1.026 10.094 -38.418 697 HB3 HIS 83 3HB HIS 83 1.568 11.113 -39.751 698 HD1 HIS 83 HD1 HIS 83 2.785 9.364 -36.786 699 HD2 HIS 83 HD2 HIS 83 4.066 12.535 -39.141 700 HE1 HIS 83 HE1 HIS 83 5.220 9.652 -36.260 701 HE2 HIS 83 HE2 HIS 83 6.007 11.428 -37.854 702 H HIS 84 H HIS 84 0.117 13.026 -40.439 703 HA HIS 84 HA HIS 84 -2.727 12.222 -40.315 704 HB2 HIS 84 2HB HIS 84 -3.344 14.179 -41.711 705 HB3 HIS 84 3HB HIS 84 -2.666 14.672 -40.164 706 HD1 HIS 84 HD1 HIS 84 -2.238 15.051 -43.802 707 HD2 HIS 84 HD2 HIS 84 -0.012 15.803 -40.378 708 HE1 HIS 84 HE1 HIS 84 -0.383 16.577 -44.526 709 HE2 HIS 84 HE2 HIS 84 0.873 17.115 -42.416 Start of MODEL 7 1 H1 MET 1 1H MET 1 3.348 13.132 -15.469 2 H2 MET 1 2H MET 1 2.689 12.494 -14.056 3 H3 MET 1 3H MET 1 2.134 13.973 -14.647 4 HA MET 1 HA MET 1 0.560 12.243 -15.101 5 HB2 MET 1 2HB MET 1 2.036 13.344 -17.526 6 HB3 MET 1 3HB MET 1 0.482 12.522 -17.638 7 HG2 MET 1 2HG MET 1 0.171 14.933 -17.680 8 HG3 MET 1 3HG MET 1 -0.534 14.253 -16.212 9 HE1 MET 1 3HE MET 1 -0.218 17.311 -16.264 10 HE2 MET 1 1HE MET 1 0.620 17.649 -14.750 11 HE3 MET 1 2HE MET 1 -0.662 16.439 -14.797 12 H GLY 2 H GLY 2 0.937 10.144 -14.468 13 HA2 GLY 2 2HA GLY 2 1.738 8.228 -16.446 14 HA3 GLY 2 3HA GLY 2 2.973 8.417 -15.205 15 H GLN 3 H GLN 3 2.365 6.040 -15.019 16 HA GLN 3 HA GLN 3 -0.152 5.362 -13.729 17 HB2 GLN 3 2HB GLN 3 0.875 3.808 -15.343 18 HB3 GLN 3 3HB GLN 3 2.324 3.686 -14.355 19 HG2 GLN 3 2HG GLN 3 1.041 2.588 -12.577 20 HG3 GLN 3 3HG GLN 3 -0.439 2.730 -13.528 21 HE21 GLN 3 1HE2 GLN 3 0.897 0.336 -12.510 22 HE22 GLN 3 2HE2 GLN 3 1.195 -0.667 -13.883 23 H TRP 4 H TRP 4 -0.470 5.392 -11.554 24 HA TRP 4 HA TRP 4 1.760 6.268 -9.874 25 HB2 TRP 4 2HB TRP 4 -1.211 6.077 -9.218 26 HB3 TRP 4 3HB TRP 4 0.018 6.952 -8.302 27 HD1 TRP 4 HD1 TRP 4 1.364 8.919 -9.989 28 HE1 TRP 4 HE1 TRP 4 0.223 10.634 -11.521 29 HE3 TRP 4 HE3 TRP 4 -3.180 6.639 -10.516 30 HZ2 TRP 4 HZ2 TRP 4 -2.261 10.985 -12.788 31 HZ3 TRP 4 HZ3 TRP 4 -4.880 7.730 -11.917 32 HH2 TRP 4 HH2 TRP 4 -4.436 9.858 -13.031 33 H GLN 5 H GLN 5 2.635 5.145 -8.222 34 HA GLN 5 HA GLN 5 1.531 2.524 -7.398 35 HB2 GLN 5 2HB GLN 5 4.447 2.998 -8.178 36 HB3 GLN 5 3HB GLN 5 3.781 1.503 -7.539 37 HG2 GLN 5 2HG GLN 5 2.330 1.402 -9.619 38 HG3 GLN 5 3HG GLN 5 3.310 2.739 -10.249 39 HE21 GLN 5 1HE2 GLN 5 5.642 2.354 -10.461 40 HE22 GLN 5 2HE2 GLN 5 6.191 0.751 -10.794 41 H ILE 6 H ILE 6 1.418 2.527 -5.225 42 HA ILE 6 HA ILE 6 3.381 4.034 -3.601 43 HB ILE 6 HB ILE 6 0.673 2.795 -2.899 44 HG12 ILE 6 2HG1 ILE 6 1.537 5.722 -3.101 45 HG13 ILE 6 3HG1 ILE 6 0.526 4.865 -4.262 46 HG21 ILE 6 1HG2 ILE 6 2.562 4.338 -1.083 47 HG22 ILE 6 2HG2 ILE 6 2.173 2.620 -0.970 48 HG23 ILE 6 3HG2 ILE 6 0.924 3.827 -0.664 49 HD11 ILE 6 3HD1 ILE 6 -0.799 6.263 -2.834 50 HD12 ILE 6 1HD1 ILE 6 -0.172 5.445 -1.404 51 HD13 ILE 6 2HD1 ILE 6 -1.177 4.564 -2.553 52 H LYS 7 H LYS 7 5.103 2.745 -3.266 53 HA LYS 7 HA LYS 7 4.802 -0.167 -2.913 54 HB2 LYS 7 2HB LYS 7 7.278 1.520 -3.535 55 HB3 LYS 7 3HB LYS 7 7.235 -0.242 -3.441 56 HG2 LYS 7 2HG LYS 7 5.667 -0.320 -5.342 57 HG3 LYS 7 3HG LYS 7 5.682 1.443 -5.429 58 HD2 LYS 7 2HD LYS 7 8.082 1.413 -5.990 59 HD3 LYS 7 3HD LYS 7 8.098 -0.355 -5.871 60 HE2 LYS 7 2HE LYS 7 6.470 1.266 -7.861 61 HE3 LYS 7 3HE LYS 7 7.978 0.423 -8.212 62 HZ1 LYS 7 3HZ LYS 7 6.035 -0.861 -8.887 63 HZ2 LYS 7 1HZ LYS 7 5.479 -0.886 -7.291 64 HZ3 LYS 7 2HZ LYS 7 6.920 -1.666 -7.693 65 H ILE 8 H ILE 8 4.506 -0.647 -0.887 66 HA ILE 8 HA ILE 8 5.810 0.839 1.308 67 HB ILE 8 HB ILE 8 3.381 -1.033 1.346 68 HG12 ILE 8 2HG1 ILE 8 3.429 2.018 1.579 69 HG13 ILE 8 3HG1 ILE 8 3.016 1.144 0.109 70 HG21 ILE 8 1HG2 ILE 8 3.014 -0.187 3.650 71 HG22 ILE 8 2HG2 ILE 8 4.523 0.725 3.557 72 HG23 ILE 8 3HG2 ILE 8 4.551 -1.038 3.499 73 HD11 ILE 8 3HD1 ILE 8 1.090 0.160 1.222 74 HD12 ILE 8 1HD1 ILE 8 1.047 1.921 1.253 75 HD13 ILE 8 2HD1 ILE 8 1.499 1.030 2.702 76 H TYR 9 H TYR 9 7.483 -0.183 2.295 77 HA TYR 9 HA TYR 9 7.811 -3.114 1.938 78 HB2 TYR 9 2HB TYR 9 9.948 -1.077 2.722 79 HB3 TYR 9 3HB TYR 9 10.200 -2.767 2.313 80 HD1 TYR 9 HD1 TYR 9 9.363 0.580 0.930 81 HD2 TYR 9 HD2 TYR 9 10.299 -3.476 -0.035 82 HE1 TYR 9 HE1 TYR 9 9.663 1.207 -1.427 83 HE2 TYR 9 HE2 TYR 9 10.602 -2.837 -2.393 84 HH TYR 9 HH TYR 9 10.818 0.396 -3.437 85 H SER 10 H SER 10 6.869 -4.055 3.598 86 HA SER 10 HA SER 10 7.645 -3.334 6.365 87 HB2 SER 10 2HB SER 10 4.933 -4.370 5.419 88 HB3 SER 10 3HB SER 10 5.388 -4.058 7.095 89 HG SER 10 HG SER 10 5.908 -1.840 5.865 90 H GLU 11 H GLU 11 8.487 -5.042 7.495 91 HA GLU 11 HA GLU 11 9.116 -7.439 5.990 92 HB2 GLU 11 2HB GLU 11 10.590 -8.024 7.857 93 HB3 GLU 11 3HB GLU 11 10.848 -6.360 7.354 94 HG2 GLU 11 2HG GLU 11 9.577 -5.547 9.287 95 HG3 GLU 11 3HG GLU 11 9.236 -7.205 9.778 96 H ASN 12 H ASN 12 7.052 -6.611 8.726 97 HA ASN 12 HA ASN 12 6.257 -9.408 9.159 98 HB2 ASN 12 2HB ASN 12 6.715 -7.758 11.074 99 HB3 ASN 12 3HB ASN 12 5.226 -6.939 10.629 100 HD21 ASN 12 1HD2 ASN 12 5.804 -8.155 13.156 101 HD22 ASN 12 2HD2 ASN 12 4.671 -9.437 13.396 102 H GLU 13 H GLU 13 4.313 -10.203 8.548 103 HA GLU 13 HA GLU 13 2.835 -8.865 6.479 104 HB2 GLU 13 2HB GLU 13 1.439 -10.918 6.464 105 HB3 GLU 13 3HB GLU 13 3.161 -11.270 6.368 106 HG2 GLU 13 2HG GLU 13 3.194 -11.878 8.750 107 HG3 GLU 13 3HG GLU 13 1.485 -11.465 8.886 108 H ARG 14 H ARG 14 2.567 -9.002 9.907 109 HA ARG 14 HA ARG 14 -0.177 -8.586 10.324 110 HB2 ARG 14 2HB ARG 14 1.338 -9.190 12.150 111 HB3 ARG 14 3HB ARG 14 2.199 -7.664 11.982 112 HG2 ARG 14 2HG ARG 14 0.695 -7.631 13.926 113 HG3 ARG 14 3HG ARG 14 0.222 -6.427 12.730 114 HD2 ARG 14 2HD ARG 14 -1.473 -8.201 11.894 115 HD3 ARG 14 3HD ARG 14 -1.148 -9.036 13.417 116 HE ARG 14 HE ARG 14 -1.744 -6.387 14.047 117 HH11 ARG 14 1HH1 ARG 14 -3.418 -9.133 12.599 118 HH12 ARG 14 2HH1 ARG 14 -4.979 -8.612 13.142 119 HH21 ARG 14 1HH2 ARG 14 -3.819 -5.704 14.707 120 HH22 ARG 14 2HH2 ARG 14 -5.204 -6.677 14.333 121 H GLU 15 H GLU 15 2.391 -6.379 9.471 122 HA GLU 15 HA GLU 15 1.001 -3.910 9.835 123 HB2 GLU 15 2HB GLU 15 3.342 -4.554 7.988 124 HB3 GLU 15 3HB GLU 15 2.902 -2.959 8.600 125 HG2 GLU 15 2HG GLU 15 3.471 -3.605 10.871 126 HG3 GLU 15 3HG GLU 15 3.758 -5.271 10.383 127 H PHE 16 H PHE 16 1.297 -6.223 7.207 128 HA PHE 16 HA PHE 16 -0.203 -4.618 5.303 129 HB2 PHE 16 2HB PHE 16 1.104 -7.343 5.135 130 HB3 PHE 16 3HB PHE 16 0.019 -6.772 3.866 131 HD1 PHE 16 HD2 PHE 16 1.299 -3.750 4.713 132 HD2 PHE 16 HD1 PHE 16 2.698 -7.462 3.082 133 HE1 PHE 16 HE2 PHE 16 3.138 -2.576 3.599 134 HE2 PHE 16 HE1 PHE 16 4.522 -6.244 1.967 135 HZ PHE 16 HZ PHE 16 4.747 -3.819 2.229 136 H ARG 17 H ARG 17 -1.019 -6.983 7.693 137 HA ARG 17 HA ARG 17 -3.325 -8.161 6.687 138 HB2 ARG 17 2HB ARG 17 -2.818 -7.177 9.519 139 HB3 ARG 17 3HB ARG 17 -4.193 -8.179 9.079 140 HG2 ARG 17 2HG ARG 17 -1.298 -9.005 8.773 141 HG3 ARG 17 3HG ARG 17 -2.306 -9.405 10.160 142 HD2 ARG 17 2HD ARG 17 -2.263 -11.322 8.768 143 HD3 ARG 17 3HD ARG 17 -3.857 -10.605 8.552 144 HE ARG 17 HE ARG 17 -1.621 -10.376 6.611 145 HH11 ARG 17 1HH1 ARG 17 -5.072 -10.661 7.253 146 HH12 ARG 17 2HH1 ARG 17 -5.497 -10.714 5.574 147 HH21 ARG 17 1HH2 ARG 17 -2.203 -10.460 4.419 148 HH22 ARG 17 2HH2 ARG 17 -3.872 -10.602 3.965 149 H GLU 18 H GLU 18 -2.895 -4.979 8.097 150 HA GLU 18 HA GLU 18 -5.494 -3.978 7.939 151 HB2 GLU 18 2HB GLU 18 -2.780 -2.614 7.632 152 HB3 GLU 18 3HB GLU 18 -4.292 -1.719 7.792 153 HG2 GLU 18 2HG GLU 18 -3.158 -3.645 9.843 154 HG3 GLU 18 3HG GLU 18 -3.046 -1.888 9.920 155 H LEU 19 H LEU 19 -2.849 -3.606 5.557 156 HA LEU 19 HA LEU 19 -4.293 -2.006 3.756 157 HB2 LEU 19 2HB LEU 19 -1.752 -3.628 3.387 158 HB3 LEU 19 3HB LEU 19 -2.437 -2.670 2.086 159 HG LEU 19 HG LEU 19 -0.674 -1.388 3.092 160 HD11 LEU 19 1HD1 LEU 19 -3.337 -0.217 3.987 161 HD12 LEU 19 2HD1 LEU 19 -2.659 -0.117 2.360 162 HD13 LEU 19 3HD1 LEU 19 -1.840 0.672 3.700 163 HD21 LEU 19 3HD2 LEU 19 -2.042 -1.727 5.790 164 HD22 LEU 19 1HD2 LEU 19 -0.614 -0.746 5.465 165 HD23 LEU 19 2HD2 LEU 19 -0.534 -2.492 5.285 166 H ILE 20 H ILE 20 -3.347 -5.426 3.382 167 HA ILE 20 HA ILE 20 -4.399 -6.062 0.948 168 HB ILE 20 HB ILE 20 -4.437 -7.877 3.410 169 HG12 ILE 20 2HG1 ILE 20 -2.172 -6.977 2.933 170 HG13 ILE 20 3HG1 ILE 20 -2.246 -8.713 2.685 171 HG21 ILE 20 1HG2 ILE 20 -4.373 -9.779 1.830 172 HG22 ILE 20 2HG2 ILE 20 -4.531 -8.660 0.475 173 HG23 ILE 20 3HG2 ILE 20 -5.845 -8.821 1.642 174 HD11 ILE 20 3HD1 ILE 20 -2.320 -8.359 0.257 175 HD12 ILE 20 1HD1 ILE 20 -0.894 -7.626 0.990 176 HD13 ILE 20 2HD1 ILE 20 -2.254 -6.614 0.511 177 H GLU 21 H GLU 21 -6.097 -6.264 4.068 178 HA GLU 21 HA GLU 21 -8.537 -7.281 2.991 179 HB2 GLU 21 2HB GLU 21 -7.866 -6.133 5.727 180 HB3 GLU 21 3HB GLU 21 -9.379 -6.942 5.331 181 HG2 GLU 21 2HG GLU 21 -8.101 -9.012 4.775 182 HG3 GLU 21 3HG GLU 21 -6.616 -8.190 5.253 183 H ARG 22 H ARG 22 -7.419 -3.989 3.854 184 HA ARG 22 HA ARG 22 -9.975 -2.707 3.602 185 HB2 ARG 22 2HB ARG 22 -7.218 -1.448 3.228 186 HB3 ARG 22 3HB ARG 22 -8.726 -0.561 3.399 187 HG2 ARG 22 2HG ARG 22 -7.265 -2.158 5.496 188 HG3 ARG 22 3HG ARG 22 -7.603 -0.437 5.488 189 HD2 ARG 22 2HD ARG 22 -10.029 -0.948 5.754 190 HD3 ARG 22 3HD ARG 22 -9.642 -2.668 5.843 191 HE ARG 22 HE ARG 22 -9.444 -0.736 7.930 192 HH11 ARG 22 1HH1 ARG 22 -7.906 -3.696 6.780 193 HH12 ARG 22 2HH1 ARG 22 -7.310 -4.124 8.354 194 HH21 ARG 22 1HH2 ARG 22 -8.629 -1.313 9.956 195 HH22 ARG 22 2HH2 ARG 22 -7.715 -2.776 10.146 196 H LEU 23 H LEU 23 -7.334 -3.367 1.370 197 HA LEU 23 HA LEU 23 -8.265 -1.779 -0.820 198 HB2 LEU 23 2HB LEU 23 -6.207 -4.020 -0.778 199 HB3 LEU 23 3HB LEU 23 -6.454 -2.905 -2.113 200 HG LEU 23 HG LEU 23 -5.441 -2.151 0.658 201 HD11 LEU 23 1HD1 LEU 23 -3.939 -2.300 -1.972 202 HD12 LEU 23 2HD1 LEU 23 -3.778 -3.413 -0.610 203 HD13 LEU 23 3HD1 LEU 23 -3.288 -1.731 -0.431 204 HD21 LEU 23 3HD2 LEU 23 -5.819 -0.391 -1.778 205 HD22 LEU 23 1HD2 LEU 23 -5.000 0.081 -0.289 206 HD23 LEU 23 2HD2 LEU 23 -6.718 -0.305 -0.262 207 H GLU 24 H GLU 24 -9.016 -4.971 0.265 208 HA GLU 24 HA GLU 24 -10.286 -5.762 -2.249 209 HB2 GLU 24 2HB GLU 24 -10.124 -7.167 0.453 210 HB3 GLU 24 3HB GLU 24 -10.862 -7.851 -0.995 211 HG2 GLU 24 2HG GLU 24 -8.710 -7.805 -2.166 212 HG3 GLU 24 3HG GLU 24 -7.947 -7.033 -0.776 213 H GLU 25 H GLU 25 -11.236 -4.584 0.969 214 HA GLU 25 HA GLU 25 -14.063 -5.176 0.583 215 HB2 GLU 25 2HB GLU 25 -12.551 -3.838 2.849 216 HB3 GLU 25 3HB GLU 25 -14.299 -4.016 2.851 217 HG2 GLU 25 2HG GLU 25 -12.328 -6.315 2.741 218 HG3 GLU 25 3HG GLU 25 -13.143 -5.740 4.194 219 H GLU 26 H GLU 26 -12.067 -2.510 -0.221 220 HA GLU 26 HA GLU 26 -13.991 -0.409 0.144 221 HB2 GLU 26 2HB GLU 26 -12.419 0.959 -1.303 222 HB3 GLU 26 3HB GLU 26 -11.696 0.266 0.140 223 HG2 GLU 26 2HG GLU 26 -10.149 0.123 -1.721 224 HG3 GLU 26 3HG GLU 26 -10.631 -1.485 -1.202 225 H ARG 27 H ARG 27 -14.457 1.025 -1.936 226 HA ARG 27 HA ARG 27 -15.304 -0.648 -4.228 227 HB2 ARG 27 2HB ARG 27 -16.879 1.550 -2.823 228 HB3 ARG 27 3HB ARG 27 -17.169 1.195 -4.519 229 HG2 ARG 27 2HG ARG 27 -18.847 0.050 -3.263 230 HG3 ARG 27 3HG ARG 27 -17.738 -1.178 -3.866 231 HD2 ARG 27 2HD ARG 27 -16.675 -1.314 -1.653 232 HD3 ARG 27 3HD ARG 27 -17.743 -0.043 -1.052 233 HE ARG 27 HE ARG 27 -19.621 -1.589 -1.447 234 HH11 ARG 27 1HH1 ARG 27 -16.408 -3.017 -1.127 235 HH12 ARG 27 2HH1 ARG 27 -17.028 -4.553 -0.602 236 HH21 ARG 27 1HH2 ARG 27 -20.390 -3.581 -0.725 237 HH22 ARG 27 2HH2 ARG 27 -19.281 -4.872 -0.375 238 HA PRO 28 HA PRO 28 -15.965 -0.386 -6.285 239 HB2 PRO 28 2HB PRO 28 -15.087 -0.386 -8.852 240 HB3 PRO 28 3HB PRO 28 -16.193 0.862 -8.243 241 HG2 PRO 28 2HG PRO 28 -13.247 1.022 -8.705 242 HG3 PRO 28 3HG PRO 28 -14.509 2.231 -9.025 243 HD2 PRO 28 2HD PRO 28 -12.853 2.235 -6.790 244 HD3 PRO 28 3HD PRO 28 -14.424 3.059 -6.886 245 H SER 29 H SER 29 -12.435 -0.094 -6.765 246 HA SER 29 HA SER 29 -11.681 -2.591 -5.840 247 HB2 SER 29 2HB SER 29 -12.845 -3.516 -7.851 248 HB3 SER 29 3HB SER 29 -11.806 -2.549 -8.894 249 HG SER 29 HG SER 29 -10.692 -4.338 -7.016 250 H VAL 30 H VAL 30 -9.844 -1.746 -5.003 251 HA VAL 30 HA VAL 30 -7.954 -0.223 -6.634 252 HB VAL 30 HB VAL 30 -7.778 -1.156 -3.722 253 HG11 VAL 30 1HG1 VAL 30 -5.503 -1.090 -4.650 254 HG12 VAL 30 2HG1 VAL 30 -5.734 0.245 -3.525 255 HG13 VAL 30 3HG1 VAL 30 -5.769 0.543 -5.264 256 HG21 VAL 30 3HG2 VAL 30 -8.124 1.635 -4.885 257 HG22 VAL 30 1HG2 VAL 30 -8.008 1.234 -3.168 258 HG23 VAL 30 2HG2 VAL 30 -9.385 0.673 -4.115 259 H GLN 31 H GLN 31 -6.317 -1.079 -7.685 260 HA GLN 31 HA GLN 31 -5.802 -3.949 -7.716 261 HB2 GLN 31 2HB GLN 31 -4.611 -1.634 -9.319 262 HB3 GLN 31 3HB GLN 31 -4.283 -3.339 -9.616 263 HG2 GLN 31 2HG GLN 31 -6.608 -3.725 -10.230 264 HG3 GLN 31 3HG GLN 31 -7.024 -2.065 -9.824 265 HE21 GLN 31 1HE2 GLN 31 -5.324 -4.103 -12.113 266 HE22 GLN 31 2HE2 GLN 31 -5.232 -2.931 -13.380 267 H TYR 32 H TYR 32 -4.055 -4.909 -6.711 268 HA TYR 32 HA TYR 32 -1.736 -3.300 -5.951 269 HB2 TYR 32 2HB TYR 32 -1.778 -3.860 -3.609 270 HB3 TYR 32 3HB TYR 32 -3.325 -3.144 -4.011 271 HD1 TYR 32 HD2 TYR 32 -1.615 -6.295 -3.042 272 HD2 TYR 32 HD1 TYR 32 -5.400 -4.461 -3.803 273 HE1 TYR 32 HE2 TYR 32 -2.749 -8.209 -2.003 274 HE2 TYR 32 HE1 TYR 32 -6.530 -6.378 -2.756 275 HH TYR 32 HH TYR 32 -6.122 -8.710 -2.243 276 H THR 33 H THR 33 0.071 -4.609 -5.126 277 HA THR 33 HA THR 33 0.038 -7.492 -5.715 278 HB THR 33 HB THR 33 2.036 -5.561 -7.018 279 HG1 THR 33 HG1 THR 33 -0.271 -6.888 -7.933 280 HG21 THR 33 3HG2 THR 33 1.834 -8.592 -7.264 281 HG22 THR 33 1HG2 THR 33 3.123 -7.716 -6.446 282 HG23 THR 33 2HG2 THR 33 2.922 -7.558 -8.194 283 H GLU 34 H GLU 34 0.720 -8.319 -3.798 284 HA GLU 34 HA GLU 34 2.847 -7.004 -2.226 285 HB2 GLU 34 2HB GLU 34 0.713 -7.763 -1.116 286 HB3 GLU 34 3HB GLU 34 1.114 -9.424 -1.518 287 HG2 GLU 34 2HG GLU 34 2.943 -7.713 0.177 288 HG3 GLU 34 3HG GLU 34 1.581 -8.574 0.878 289 H THR 35 H THR 35 4.864 -7.945 -1.973 290 HA THR 35 HA THR 35 5.514 -10.510 -3.253 291 HB THR 35 HB THR 35 6.832 -7.873 -4.083 292 HG1 THR 35 HG1 THR 35 4.722 -9.282 -5.102 293 HG21 THR 35 3HG2 THR 35 8.104 -9.212 -5.717 294 HG22 THR 35 1HG2 THR 35 7.384 -10.696 -5.070 295 HG23 THR 35 2HG2 THR 35 8.468 -9.728 -4.072 296 H THR 36 H THR 36 6.502 -11.510 -1.535 297 HA THR 36 HA THR 36 7.998 -10.073 0.479 298 HB THR 36 HB THR 36 7.780 -13.094 0.049 299 HG1 THR 36 HG1 THR 36 5.877 -11.400 0.715 300 HG21 THR 36 3HG2 THR 36 9.674 -12.454 1.532 301 HG22 THR 36 1HG2 THR 36 8.395 -13.255 2.446 302 HG23 THR 36 2HG2 THR 36 8.573 -11.501 2.529 303 H ARG 37 H ARG 37 9.863 -9.209 -0.135 304 HA ARG 37 HA ARG 37 11.656 -10.611 -2.039 305 HB2 ARG 37 2HB ARG 37 10.362 -8.717 -3.016 306 HB3 ARG 37 3HB ARG 37 11.038 -7.631 -1.808 307 HG2 ARG 37 2HG ARG 37 13.301 -8.024 -2.755 308 HG3 ARG 37 3HG ARG 37 12.587 -9.077 -3.983 309 HD2 ARG 37 2HD ARG 37 11.218 -7.156 -4.797 310 HD3 ARG 37 3HD ARG 37 12.001 -6.116 -3.600 311 HE ARG 37 HE ARG 37 13.920 -7.392 -5.285 312 HH11 ARG 37 1HH1 ARG 37 11.589 -4.738 -5.239 313 HH12 ARG 37 2HH1 ARG 37 12.441 -3.812 -6.430 314 HH21 ARG 37 1HH2 ARG 37 15.005 -6.179 -6.872 315 HH22 ARG 37 2HH2 ARG 37 14.384 -4.632 -7.361 316 H ASN 38 H ASN 38 13.221 -11.349 -0.725 317 HA ASN 38 HA ASN 38 15.200 -11.388 0.379 318 HB2 ASN 38 2HB ASN 38 15.135 -8.363 -0.026 319 HB3 ASN 38 3HB ASN 38 16.509 -9.232 0.633 320 HD21 ASN 38 1HD2 ASN 38 14.552 -10.424 -2.100 321 HD22 ASN 38 2HD2 ASN 38 15.798 -10.244 -3.276 322 H GLY 39 H GLY 39 12.527 -10.878 1.777 323 HA2 GLY 39 2HA GLY 39 12.146 -11.146 4.130 324 HA3 GLY 39 3HA GLY 39 13.549 -10.141 4.462 325 H ARG 40 H ARG 40 12.585 -8.224 2.266 326 HA ARG 40 HA ARG 40 10.630 -6.727 3.888 327 HB2 ARG 40 2HB ARG 40 12.180 -5.844 1.407 328 HB3 ARG 40 3HB ARG 40 11.079 -4.825 2.325 329 HG2 ARG 40 2HG ARG 40 13.693 -5.978 3.314 330 HG3 ARG 40 3HG ARG 40 13.394 -4.307 2.850 331 HD2 ARG 40 2HD ARG 40 11.762 -4.107 4.722 332 HD3 ARG 40 3HD ARG 40 12.148 -5.766 5.202 333 HE ARG 40 HE ARG 40 14.439 -4.023 5.003 334 HH11 ARG 40 1HH1 ARG 40 11.950 -5.201 7.176 335 HH12 ARG 40 2HH1 ARG 40 12.850 -4.829 8.607 336 HH21 ARG 40 1HH2 ARG 40 15.625 -3.559 6.883 337 HH22 ARG 40 2HH2 ARG 40 14.939 -3.895 8.439 338 H ARG 41 H ARG 41 8.575 -7.268 3.456 339 HA ARG 41 HA ARG 41 7.683 -8.185 0.859 340 HB2 ARG 41 2HB ARG 41 6.072 -7.380 3.326 341 HB3 ARG 41 3HB ARG 41 5.429 -8.184 1.897 342 HG2 ARG 41 2HG ARG 41 6.834 -10.147 2.352 343 HG3 ARG 41 3HG ARG 41 7.491 -9.356 3.784 344 HD2 ARG 41 2HD ARG 41 5.315 -9.400 4.870 345 HD3 ARG 41 3HD ARG 41 4.547 -9.978 3.389 346 HE ARG 41 HE ARG 41 5.729 -12.086 3.660 347 HH11 ARG 41 1HH1 ARG 41 5.622 -10.044 6.503 348 HH12 ARG 41 2HH1 ARG 41 5.865 -11.359 7.606 349 HH21 ARG 41 1HH2 ARG 41 5.978 -13.805 5.107 350 HH22 ARG 41 2HH2 ARG 41 6.067 -13.501 6.813 351 H GLN 42 H GLN 42 7.422 -6.759 -0.779 352 HA GLN 42 HA GLN 42 6.702 -3.960 -0.247 353 HB2 GLN 42 2HB GLN 42 7.239 -3.616 -2.699 354 HB3 GLN 42 3HB GLN 42 8.592 -4.091 -1.691 355 HG2 GLN 42 2HG GLN 42 8.724 -6.237 -2.645 356 HG3 GLN 42 3HG GLN 42 7.085 -6.152 -3.292 357 HE21 GLN 42 1HE2 GLN 42 6.707 -5.012 -5.188 358 HE22 GLN 42 2HE2 GLN 42 7.975 -4.570 -6.265 359 H LEU 43 H LEU 43 4.671 -3.407 -0.356 360 HA LEU 43 HA LEU 43 2.755 -4.858 -2.083 361 HB2 LEU 43 2HB LEU 43 2.499 -4.482 0.552 362 HB3 LEU 43 3HB LEU 43 1.937 -2.892 0.082 363 HG LEU 43 HG LEU 43 0.661 -5.552 -0.694 364 HD11 LEU 43 1HD1 LEU 43 -1.178 -4.854 0.775 365 HD12 LEU 43 2HD1 LEU 43 -0.268 -3.417 1.244 366 HD13 LEU 43 3HD1 LEU 43 0.338 -5.024 1.658 367 HD21 LEU 43 3HD2 LEU 43 -1.196 -4.223 -1.610 368 HD22 LEU 43 1HD2 LEU 43 0.307 -3.952 -2.489 369 HD23 LEU 43 2HD2 LEU 43 -0.272 -2.744 -1.341 370 H THR 44 H THR 44 2.686 -3.833 -3.994 371 HA THR 44 HA THR 44 2.930 -0.932 -4.269 372 HB THR 44 HB THR 44 2.680 -3.162 -6.355 373 HG1 THR 44 HG1 THR 44 4.715 -2.696 -4.964 374 HG21 THR 44 3HG2 THR 44 3.293 -1.435 -8.019 375 HG22 THR 44 1HG2 THR 44 3.229 -0.193 -6.763 376 HG23 THR 44 2HG2 THR 44 1.760 -1.046 -7.242 377 H ILE 45 H ILE 45 1.100 0.190 -3.884 378 HA ILE 45 HA ILE 45 -1.583 -0.897 -4.446 379 HB ILE 45 HB ILE 45 -0.765 1.640 -2.921 380 HG12 ILE 45 2HG1 ILE 45 -1.579 -1.097 -1.822 381 HG13 ILE 45 3HG1 ILE 45 0.027 -0.385 -1.737 382 HG21 ILE 45 1HG2 ILE 45 -3.097 1.685 -2.107 383 HG22 ILE 45 2HG2 ILE 45 -3.478 0.263 -3.079 384 HG23 ILE 45 3HG2 ILE 45 -3.040 1.779 -3.868 385 HD11 ILE 45 3HD1 ILE 45 -0.837 1.377 -0.276 386 HD12 ILE 45 1HD1 ILE 45 -1.108 -0.236 0.380 387 HD13 ILE 45 2HD1 ILE 45 -2.443 0.646 -0.355 388 H ARG 46 H ARG 46 -2.730 -0.124 -6.131 389 HA ARG 46 HA ARG 46 -1.862 2.286 -7.622 390 HB2 ARG 46 2HB ARG 46 -2.591 -0.435 -8.812 391 HB3 ARG 46 3HB ARG 46 -2.295 1.027 -9.746 392 HG2 ARG 46 2HG ARG 46 0.068 1.025 -8.989 393 HG3 ARG 46 3HG ARG 46 -0.238 -0.447 -8.061 394 HD2 ARG 46 2HD ARG 46 -0.856 -1.623 -10.174 395 HD3 ARG 46 3HD ARG 46 -0.483 -0.154 -11.079 396 HE ARG 46 HE ARG 46 1.823 -0.765 -9.674 397 HH11 ARG 46 1HH1 ARG 46 -0.166 -2.353 -12.105 398 HH12 ARG 46 2HH1 ARG 46 1.158 -3.238 -12.790 399 HH21 ARG 46 1HH2 ARG 46 3.572 -1.965 -10.592 400 HH22 ARG 46 2HH2 ARG 46 3.270 -3.023 -11.934 401 H SER 47 H SER 47 -3.528 3.556 -8.202 402 HA SER 47 HA SER 47 -6.262 2.498 -8.470 403 HB2 SER 47 2HB SER 47 -6.151 3.411 -6.159 404 HB3 SER 47 3HB SER 47 -5.561 4.950 -6.780 405 HG SER 47 HG SER 47 -8.119 3.962 -6.654 406 H ASN 48 H ASN 48 -7.692 4.155 -9.457 407 HA ASN 48 HA ASN 48 -6.542 5.130 -11.908 408 HB2 ASN 48 2HB ASN 48 -8.863 5.621 -12.550 409 HB3 ASN 48 3HB ASN 48 -8.781 4.026 -11.804 410 HD21 ASN 48 1HD2 ASN 48 -9.581 3.804 -9.604 411 HD22 ASN 48 2HD2 ASN 48 -10.755 4.917 -8.996 412 H ASP 49 H ASP 49 -6.893 6.523 -8.850 413 HA ASP 49 HA ASP 49 -6.616 9.247 -9.911 414 HB2 ASP 49 2HB ASP 49 -9.006 8.981 -9.396 415 HB3 ASP 49 3HB ASP 49 -8.620 8.438 -7.765 416 H LYS 50 H LYS 50 -5.437 10.610 -8.705 417 HA LYS 50 HA LYS 50 -3.476 9.574 -6.957 418 HB2 LYS 50 2HB LYS 50 -4.144 12.329 -7.991 419 HB3 LYS 50 3HB LYS 50 -3.014 12.196 -6.657 420 HG2 LYS 50 2HG LYS 50 -2.548 10.598 -9.170 421 HG3 LYS 50 3HG LYS 50 -2.147 12.313 -9.121 422 HD2 LYS 50 2HD LYS 50 -0.150 11.061 -8.627 423 HD3 LYS 50 3HD LYS 50 -0.657 11.881 -7.155 424 HE2 LYS 50 2HE LYS 50 -1.503 9.807 -6.236 425 HE3 LYS 50 3HE LYS 50 -1.227 8.963 -7.758 426 HZ1 LYS 50 3HZ LYS 50 0.531 8.434 -6.226 427 HZ2 LYS 50 1HZ LYS 50 0.858 10.070 -5.947 428 HZ3 LYS 50 2HZ LYS 50 1.174 9.393 -7.461 429 H ASN 51 H ASN 51 -6.284 11.725 -6.355 430 HA ASN 51 HA ASN 51 -5.698 12.275 -3.634 431 HB2 ASN 51 2HB ASN 51 -8.506 12.231 -4.839 432 HB3 ASN 51 3HB ASN 51 -7.965 13.153 -3.442 433 HD21 ASN 51 1HD2 ASN 51 -8.029 12.973 -6.905 434 HD22 ASN 51 2HD2 ASN 51 -7.439 14.572 -7.195 435 H GLU 52 H GLU 52 -7.563 9.761 -5.210 436 HA GLU 52 HA GLU 52 -8.672 8.523 -2.931 437 HB2 GLU 52 2HB GLU 52 -9.493 8.156 -5.261 438 HB3 GLU 52 3HB GLU 52 -7.995 7.306 -5.646 439 HG2 GLU 52 2HG GLU 52 -9.803 5.718 -5.224 440 HG3 GLU 52 3HG GLU 52 -8.542 5.557 -4.004 441 H VAL 53 H VAL 53 -5.812 7.612 -4.908 442 HA VAL 53 HA VAL 53 -5.063 5.428 -3.252 443 HB VAL 53 HB VAL 53 -4.457 5.911 -5.759 444 HG11 VAL 53 1HG1 VAL 53 -2.237 6.824 -6.208 445 HG12 VAL 53 2HG1 VAL 53 -2.048 7.231 -4.501 446 HG13 VAL 53 3HG1 VAL 53 -3.293 8.029 -5.464 447 HG21 VAL 53 3HG2 VAL 53 -3.823 3.844 -4.650 448 HG22 VAL 53 1HG2 VAL 53 -2.410 4.618 -3.938 449 HG23 VAL 53 2HG2 VAL 53 -2.506 4.398 -5.684 450 H ASP 54 H ASP 54 -4.389 8.829 -3.122 451 HA ASP 54 HA ASP 54 -2.103 8.719 -1.350 452 HB2 ASP 54 2HB ASP 54 -2.431 10.586 -2.967 453 HB3 ASP 54 3HB ASP 54 -3.893 11.071 -2.123 454 H ARG 55 H ARG 55 -5.589 8.908 -1.049 455 HA ARG 55 HA ARG 55 -5.680 9.587 1.729 456 HB2 ARG 55 2HB ARG 55 -7.634 9.923 0.316 457 HB3 ARG 55 3HB ARG 55 -7.719 8.205 -0.057 458 HG2 ARG 55 2HG ARG 55 -8.508 7.650 2.109 459 HG3 ARG 55 3HG ARG 55 -8.021 9.208 2.787 460 HD2 ARG 55 2HD ARG 55 -10.493 8.965 2.437 461 HD3 ARG 55 3HD ARG 55 -9.783 10.353 1.609 462 HE ARG 55 HE ARG 55 -10.276 7.817 0.157 463 HH11 ARG 55 1HH1 ARG 55 -10.872 11.273 0.490 464 HH12 ARG 55 2HH1 ARG 55 -11.709 11.393 -1.024 465 HH21 ARG 55 1HH2 ARG 55 -11.394 7.968 -1.805 466 HH22 ARG 55 2HH2 ARG 55 -12.006 9.506 -2.337 467 H ILE 56 H ILE 56 -5.395 6.582 -0.063 468 HA ILE 56 HA ILE 56 -5.472 4.776 2.165 469 HB ILE 56 HB ILE 56 -4.076 4.410 -0.541 470 HG12 ILE 56 2HG1 ILE 56 -6.925 3.588 0.218 471 HG13 ILE 56 3HG1 ILE 56 -6.524 4.991 -0.762 472 HG21 ILE 56 1HG2 ILE 56 -4.310 1.980 -0.129 473 HG22 ILE 56 2HG2 ILE 56 -5.014 2.311 1.454 474 HG23 ILE 56 3HG2 ILE 56 -3.339 2.755 1.125 475 HD11 ILE 56 3HD1 ILE 56 -6.008 2.115 -1.493 476 HD12 ILE 56 1HD1 ILE 56 -5.575 3.519 -2.472 477 HD13 ILE 56 2HD1 ILE 56 -7.270 3.163 -2.140 478 H LEU 57 H LEU 57 -2.986 6.658 0.518 479 HA LEU 57 HA LEU 57 -0.671 5.534 1.667 480 HB2 LEU 57 2HB LEU 57 -0.672 6.870 -0.407 481 HB3 LEU 57 3HB LEU 57 -1.095 8.304 0.501 482 HG LEU 57 HG LEU 57 1.089 8.296 1.625 483 HD11 LEU 57 1HD1 LEU 57 2.844 6.689 1.045 484 HD12 LEU 57 2HD1 LEU 57 1.703 5.782 0.057 485 HD13 LEU 57 3HD1 LEU 57 1.466 5.896 1.802 486 HD21 LEU 57 3HD2 LEU 57 0.937 9.466 -0.517 487 HD22 LEU 57 1HD2 LEU 57 1.365 7.989 -1.383 488 HD23 LEU 57 2HD2 LEU 57 2.540 8.764 -0.316 489 H GLU 58 H GLU 58 -2.492 8.491 2.572 490 HA GLU 58 HA GLU 58 -0.751 9.222 4.683 491 HB2 GLU 58 2HB GLU 58 -2.531 10.770 5.404 492 HB3 GLU 58 3HB GLU 58 -2.245 10.859 3.671 493 HG2 GLU 58 2HG GLU 58 -4.260 9.374 3.341 494 HG3 GLU 58 3HG GLU 58 -4.580 9.525 5.067 495 H GLU 59 H GLU 59 -3.553 7.123 4.503 496 HA GLU 59 HA GLU 59 -4.030 6.860 7.296 497 HB2 GLU 59 2HB GLU 59 -5.770 6.498 5.575 498 HB3 GLU 59 3HB GLU 59 -4.910 5.074 4.995 499 HG2 GLU 59 2HG GLU 59 -5.210 4.046 7.268 500 HG3 GLU 59 3HG GLU 59 -6.186 5.441 7.722 501 H VAL 60 H VAL 60 -2.270 4.799 4.926 502 HA VAL 60 HA VAL 60 -1.692 2.672 6.701 503 HB VAL 60 HB VAL 60 -1.400 2.286 4.319 504 HG11 VAL 60 1HG1 VAL 60 0.436 3.213 2.990 505 HG12 VAL 60 2HG1 VAL 60 0.923 4.226 4.352 506 HG13 VAL 60 3HG1 VAL 60 -0.640 4.484 3.575 507 HG21 VAL 60 3HG2 VAL 60 -0.018 0.928 5.890 508 HG22 VAL 60 1HG2 VAL 60 1.325 2.045 5.656 509 HG23 VAL 60 2HG2 VAL 60 0.723 1.084 4.302 510 H ARG 61 H ARG 61 -0.022 5.712 6.083 511 HA ARG 61 HA ARG 61 2.285 5.199 7.660 512 HB2 ARG 61 2HB ARG 61 0.947 7.838 6.921 513 HB3 ARG 61 3HB ARG 61 2.553 7.700 7.637 514 HG2 ARG 61 2HG ARG 61 3.349 6.464 5.657 515 HG3 ARG 61 3HG ARG 61 1.737 6.555 4.943 516 HD2 ARG 61 2HD ARG 61 3.222 8.238 3.963 517 HD3 ARG 61 3HD ARG 61 1.909 9.016 4.850 518 HE ARG 61 HE ARG 61 3.961 8.849 6.656 519 HH11 ARG 61 1HH1 ARG 61 3.694 10.310 3.445 520 HH12 ARG 61 2HH1 ARG 61 4.865 11.539 3.793 521 HH21 ARG 61 1HH2 ARG 61 5.428 10.488 7.100 522 HH22 ARG 61 2HH2 ARG 61 5.846 11.642 5.871 523 H ARG 62 H ARG 62 -0.974 6.314 8.450 524 HA ARG 62 HA ARG 62 -0.414 7.046 11.194 525 HB2 ARG 62 2HB ARG 62 -3.127 6.403 9.954 526 HB3 ARG 62 3HB ARG 62 -2.843 7.246 11.469 527 HG2 ARG 62 2HG ARG 62 -2.323 8.259 8.676 528 HG3 ARG 62 3HG ARG 62 -3.516 8.843 9.824 529 HD2 ARG 62 2HD ARG 62 -0.504 9.101 10.098 530 HD3 ARG 62 3HD ARG 62 -1.622 10.386 9.646 531 HE ARG 62 HE ARG 62 -1.499 9.089 12.305 532 HH11 ARG 62 1HH1 ARG 62 -2.330 11.908 10.355 533 HH12 ARG 62 2HH1 ARG 62 -2.727 12.881 11.738 534 HH21 ARG 62 1HH2 ARG 62 -1.967 10.406 14.105 535 HH22 ARG 62 2HH2 ARG 62 -2.526 12.039 13.855 536 H LYS 63 H LYS 63 -1.441 4.111 9.522 537 HA LYS 63 HA LYS 63 -2.240 2.645 11.891 538 HB2 LYS 63 2HB LYS 63 -1.647 1.726 9.038 539 HB3 LYS 63 3HB LYS 63 -2.227 0.650 10.304 540 HG2 LYS 63 2HG LYS 63 -4.320 1.962 10.462 541 HG3 LYS 63 3HG LYS 63 -3.733 3.036 9.186 542 HD2 LYS 63 2HD LYS 63 -3.739 1.222 7.563 543 HD3 LYS 63 3HD LYS 63 -4.117 0.038 8.816 544 HE2 LYS 63 2HE LYS 63 -5.938 2.282 7.896 545 HE3 LYS 63 3HE LYS 63 -6.096 0.578 7.470 546 HZ1 LYS 63 3HZ LYS 63 -6.459 0.068 9.804 547 HZ2 LYS 63 1HZ LYS 63 -7.597 1.199 9.255 548 HZ3 LYS 63 2HZ LYS 63 -6.298 1.704 10.209 549 H VAL 64 H VAL 64 0.594 2.785 9.816 550 HA VAL 64 HA VAL 64 2.251 1.423 11.783 551 HB VAL 64 HB VAL 64 1.657 -0.497 10.543 552 HG11 VAL 64 1HG1 VAL 64 2.037 0.991 7.924 553 HG12 VAL 64 2HG1 VAL 64 0.500 0.519 8.651 554 HG13 VAL 64 3HG1 VAL 64 1.624 -0.720 8.094 555 HG21 VAL 64 3HG2 VAL 64 3.713 -1.222 9.405 556 HG22 VAL 64 1HG2 VAL 64 4.086 -0.307 10.868 557 HG23 VAL 64 2HG2 VAL 64 4.257 0.454 9.287 558 HA PRO 65 HA PRO 65 4.696 4.936 10.089 559 HB2 PRO 65 2HB PRO 65 6.200 5.349 12.326 560 HB3 PRO 65 3HB PRO 65 4.528 5.932 12.197 561 HG2 PRO 65 2HG PRO 65 5.556 3.472 13.570 562 HG3 PRO 65 3HG PRO 65 4.377 4.672 14.149 563 HD2 PRO 65 2HD PRO 65 3.631 2.276 13.071 564 HD3 PRO 65 3HD PRO 65 2.636 3.744 12.930 565 H ASN 66 H ASN 66 5.484 1.772 11.156 566 HA ASN 66 HA ASN 66 8.281 1.785 10.375 567 HB2 ASN 66 2HB ASN 66 6.436 -0.562 11.003 568 HB3 ASN 66 3HB ASN 66 8.181 -0.656 10.794 569 HD21 ASN 66 1HD2 ASN 66 6.653 -1.494 13.063 570 HD22 ASN 66 2HD2 ASN 66 7.205 -0.570 14.418 571 H ALA 67 H ALA 67 5.466 1.890 8.632 572 HA ALA 67 HA ALA 67 6.075 0.151 6.440 573 HB1 ALA 67 3HB ALA 67 4.210 2.551 6.645 574 HB2 ALA 67 1HB ALA 67 3.771 0.859 6.885 575 HB3 ALA 67 2HB ALA 67 4.266 1.422 5.288 576 H ARG 68 H ARG 68 7.930 0.498 5.281 577 HA ARG 68 HA ARG 68 9.091 3.087 4.852 578 HB2 ARG 68 2HB ARG 68 10.471 1.018 4.870 579 HB3 ARG 68 3HB ARG 68 9.651 0.464 3.419 580 HG2 ARG 68 2HG ARG 68 11.836 1.378 2.840 581 HG3 ARG 68 3HG ARG 68 10.558 2.391 2.163 582 HD2 ARG 68 2HD ARG 68 10.832 3.923 4.163 583 HD3 ARG 68 3HD ARG 68 12.234 2.961 4.626 584 HE ARG 68 HE ARG 68 13.335 3.685 2.598 585 HH11 ARG 68 1HH1 ARG 68 10.454 5.518 3.478 586 HH12 ARG 68 2HH1 ARG 68 10.925 6.917 2.574 587 HH21 ARG 68 1HH2 ARG 68 13.968 5.544 1.483 588 HH22 ARG 68 2HH2 ARG 68 12.929 6.933 1.438 589 H VAL 69 H VAL 69 8.063 4.531 3.657 590 HA VAL 69 HA VAL 69 6.204 3.771 1.541 591 HB VAL 69 HB VAL 69 6.746 6.418 2.969 592 HG11 VAL 69 1HG1 VAL 69 4.699 5.866 0.790 593 HG12 VAL 69 2HG1 VAL 69 6.101 6.927 0.664 594 HG13 VAL 69 3HG1 VAL 69 4.785 7.336 1.763 595 HG21 VAL 69 3HG2 VAL 69 4.494 6.048 3.938 596 HG22 VAL 69 1HG2 VAL 69 5.581 4.709 4.317 597 HG23 VAL 69 2HG2 VAL 69 4.359 4.522 3.059 598 H ARG 70 H ARG 70 6.848 3.685 -0.455 599 HA ARG 70 HA ARG 70 8.749 5.673 -1.563 600 HB2 ARG 70 2HB ARG 70 9.779 3.403 -1.421 601 HB3 ARG 70 3HB ARG 70 8.405 2.711 -2.269 602 HG2 ARG 70 2HG ARG 70 10.290 2.871 -3.767 603 HG3 ARG 70 3HG ARG 70 9.038 4.001 -4.293 604 HD2 ARG 70 2HD ARG 70 11.309 4.973 -4.421 605 HD3 ARG 70 3HD ARG 70 10.265 5.866 -3.310 606 HE ARG 70 HE ARG 70 11.707 3.915 -1.869 607 HH11 ARG 70 1HH1 ARG 70 12.332 6.968 -3.517 608 HH12 ARG 70 2HH1 ARG 70 13.689 7.363 -2.511 609 HH21 ARG 70 1HH2 ARG 70 13.461 4.448 -0.547 610 HH22 ARG 70 2HH2 ARG 70 14.335 5.927 -0.821 611 H GLU 71 H GLU 71 7.172 7.070 -2.418 612 HA GLU 71 HA GLU 71 4.911 5.934 -3.944 613 HB2 GLU 71 2HB GLU 71 4.755 7.897 -2.167 614 HB3 GLU 71 3HB GLU 71 5.349 8.912 -3.468 615 HG2 GLU 71 2HG GLU 71 2.819 7.241 -3.560 616 HG3 GLU 71 3HG GLU 71 2.885 8.961 -3.204 617 H THR 72 H THR 72 4.949 5.943 -6.134 618 HA THR 72 HA THR 72 7.127 7.244 -7.605 619 HB THR 72 HB THR 72 7.652 5.002 -8.739 620 HG1 THR 72 HG1 THR 72 5.681 4.172 -7.053 621 HG21 THR 72 3HG2 THR 72 9.193 5.941 -7.059 622 HG22 THR 72 1HG2 THR 72 9.145 4.180 -6.959 623 HG23 THR 72 2HG2 THR 72 8.278 5.154 -5.770 624 H GLU 73 H GLU 73 5.944 8.333 -9.086 625 HA GLU 73 HA GLU 73 3.732 7.115 -10.545 626 HB2 GLU 73 2HB GLU 73 3.672 9.545 -10.053 627 HB3 GLU 73 3HB GLU 73 5.182 9.782 -10.933 628 HG2 GLU 73 2HG GLU 73 4.046 8.973 -13.017 629 HG3 GLU 73 3HG GLU 73 2.529 8.884 -12.126 630 H THR 74 H THR 74 4.497 5.449 -11.762 631 HA THR 74 HA THR 74 6.925 5.224 -13.123 632 HB THR 74 HB THR 74 4.429 3.891 -14.207 633 HG1 THR 74 HG1 THR 74 4.046 3.527 -12.104 634 HG21 THR 74 3HG2 THR 74 6.610 3.317 -15.240 635 HG22 THR 74 1HG2 THR 74 5.917 1.925 -14.407 636 HG23 THR 74 2HG2 THR 74 7.231 2.835 -13.661 637 H GLY 75 H GLY 75 7.622 6.241 -14.846 638 HA2 GLY 75 2HA GLY 75 7.027 6.790 -17.265 639 HA3 GLY 75 3HA GLY 75 5.805 7.835 -16.545 640 H SER 76 H SER 76 8.429 8.227 -18.138 641 HA SER 76 HA SER 76 9.493 10.454 -16.490 642 HB2 SER 76 2HB SER 76 11.741 9.977 -17.551 643 HB3 SER 76 3HB SER 76 11.181 8.687 -16.483 644 HG SER 76 HG SER 76 11.327 7.406 -18.128 645 H LEU 77 H LEU 77 7.401 10.247 -18.622 646 HA LEU 77 HA LEU 77 8.504 11.674 -20.912 647 HB2 LEU 77 2HB LEU 77 5.631 10.870 -20.302 648 HB3 LEU 77 3HB LEU 77 6.225 11.483 -21.836 649 HG LEU 77 HG LEU 77 6.914 8.797 -20.582 650 HD11 LEU 77 1HD1 LEU 77 5.274 9.439 -23.056 651 HD12 LEU 77 2HD1 LEU 77 4.656 8.844 -21.513 652 HD13 LEU 77 3HD1 LEU 77 5.706 7.822 -22.489 653 HD21 LEU 77 3HD2 LEU 77 7.912 9.965 -23.202 654 HD22 LEU 77 1HD2 LEU 77 8.165 8.304 -22.656 655 HD23 LEU 77 2HD2 LEU 77 8.876 9.642 -21.759 656 H GLU 78 H GLU 78 6.902 13.497 -21.672 657 HA GLU 78 HA GLU 78 5.816 15.282 -19.718 658 HB2 GLU 78 2HB GLU 78 7.466 17.099 -19.922 659 HB3 GLU 78 3HB GLU 78 8.224 15.659 -19.256 660 HG2 GLU 78 2HG GLU 78 9.258 15.152 -21.427 661 HG3 GLU 78 3HG GLU 78 8.437 16.531 -22.161 662 H HIS 79 H HIS 79 5.486 17.520 -20.777 663 HA HIS 79 HA HIS 79 4.519 17.231 -23.512 664 HB2 HIS 79 2HB HIS 79 3.547 19.511 -23.168 665 HB3 HIS 79 3HB HIS 79 3.033 18.365 -21.935 666 HD1 HIS 79 HD1 HIS 79 4.525 21.670 -22.357 667 HD2 HIS 79 HD2 HIS 79 4.386 18.804 -19.344 668 HE1 HIS 79 HE1 HIS 79 5.140 22.881 -20.246 669 HE2 HIS 79 HE2 HIS 79 4.997 21.150 -18.438 670 H HIS 80 H HIS 80 5.775 17.708 -25.193 671 HA HIS 80 HA HIS 80 8.381 18.846 -24.968 672 HB2 HIS 80 2HB HIS 80 6.693 18.247 -27.429 673 HB3 HIS 80 3HB HIS 80 8.378 18.770 -27.492 674 HD1 HIS 80 HD1 HIS 80 6.461 15.770 -27.613 675 HD2 HIS 80 HD2 HIS 80 10.053 16.833 -25.805 676 HE1 HIS 80 HE1 HIS 80 7.665 13.609 -27.162 677 HE2 HIS 80 HE2 HIS 80 9.808 14.275 -26.036 678 H HIS 81 H HIS 81 9.093 20.881 -25.331 679 HA HIS 81 HA HIS 81 7.236 22.919 -24.609 680 HB2 HIS 81 2HB HIS 81 10.176 23.231 -25.347 681 HB3 HIS 81 3HB HIS 81 9.206 24.367 -24.413 682 HD1 HIS 81 HD1 HIS 81 11.587 21.736 -23.979 683 HD2 HIS 81 HD2 HIS 81 8.239 23.000 -21.857 684 HE1 HIS 81 HE1 HIS 81 11.842 20.759 -21.681 685 HE2 HIS 81 HE2 HIS 81 9.775 21.469 -20.436 686 H HIS 82 H HIS 82 6.224 24.420 -25.823 687 HA HIS 82 HA HIS 82 7.022 24.915 -28.644 688 HB2 HIS 82 2HB HIS 82 5.049 23.376 -28.545 689 HB3 HIS 82 3HB HIS 82 4.171 24.556 -27.581 690 HD1 HIS 82 HD1 HIS 82 4.931 23.629 -31.064 691 HD2 HIS 82 HD2 HIS 82 3.401 26.942 -29.085 692 HE1 HIS 82 HE1 HIS 82 3.828 25.020 -32.835 693 HE2 HIS 82 HE2 HIS 82 2.758 26.917 -31.586 694 H HIS 83 H HIS 83 6.684 27.069 -29.369 695 HA HIS 83 HA HIS 83 5.538 29.088 -27.596 696 HB2 HIS 83 2HB HIS 83 7.933 28.757 -26.845 697 HB3 HIS 83 3HB HIS 83 8.470 29.242 -28.443 698 HD1 HIS 83 HD1 HIS 83 8.164 31.788 -29.059 699 HD2 HIS 83 HD2 HIS 83 7.290 30.839 -25.108 700 HE1 HIS 83 HE1 HIS 83 8.112 33.970 -27.844 701 HE2 HIS 83 HE2 HIS 83 7.748 33.365 -25.437 702 H HIS 84 H HIS 84 5.115 31.081 -28.682 703 HA HIS 84 HA HIS 84 4.905 30.909 -31.584 704 HB2 HIS 84 2HB HIS 84 3.997 33.136 -29.693 705 HB3 HIS 84 3HB HIS 84 3.655 33.060 -31.416 706 HD1 HIS 84 HD1 HIS 84 2.050 32.456 -28.344 707 HD2 HIS 84 HD2 HIS 84 2.150 30.431 -31.977 708 HE1 HIS 84 HE1 HIS 84 -0.004 31.014 -28.371 709 HE2 HIS 84 HE2 HIS 84 -0.031 29.976 -30.667 Start of MODEL 8 1 H1 MET 1 1H MET 1 1.026 13.674 -16.723 2 H2 MET 1 2H MET 1 2.415 12.784 -17.099 3 H3 MET 1 3H MET 1 1.842 12.825 -15.512 4 HA MET 1 HA MET 1 -0.153 11.680 -16.142 5 HB2 MET 1 2HB MET 1 -0.344 12.471 -18.451 6 HB3 MET 1 3HB MET 1 1.145 11.647 -18.902 7 HG2 MET 1 2HG MET 1 -0.885 10.472 -19.699 8 HG3 MET 1 3HG MET 1 0.086 9.478 -18.613 9 HE1 MET 1 3HE MET 1 -3.539 8.274 -17.700 10 HE2 MET 1 1HE MET 1 -1.922 7.774 -18.192 11 HE3 MET 1 2HE MET 1 -2.942 8.684 -19.310 12 H GLY 2 H GLY 2 -0.128 9.560 -15.528 13 HA2 GLY 2 2HA GLY 2 1.387 7.459 -16.330 14 HA3 GLY 2 3HA GLY 2 2.404 8.216 -15.108 15 H GLN 3 H GLN 3 1.646 5.688 -14.676 16 HA GLN 3 HA GLN 3 -0.752 5.383 -13.145 17 HB2 GLN 3 2HB GLN 3 0.261 3.445 -14.265 18 HB3 GLN 3 3HB GLN 3 1.747 3.644 -13.347 19 HG2 GLN 3 2HG GLN 3 0.467 3.110 -11.253 20 HG3 GLN 3 3HG GLN 3 -0.957 2.796 -12.243 21 HE21 GLN 3 1HE2 GLN 3 2.218 1.637 -11.318 22 HE22 GLN 3 2HE2 GLN 3 2.040 0.048 -11.972 23 H TRP 4 H TRP 4 -1.100 5.987 -11.142 24 HA TRP 4 HA TRP 4 0.966 6.807 -9.302 25 HB2 TRP 4 2HB TRP 4 -2.050 6.475 -9.048 26 HB3 TRP 4 3HB TRP 4 -1.022 7.034 -7.729 27 HD1 TRP 4 HD1 TRP 4 0.462 9.320 -8.316 28 HE1 TRP 4 HE1 TRP 4 -0.285 11.423 -9.569 29 HE3 TRP 4 HE3 TRP 4 -3.513 7.375 -10.864 30 HZ2 TRP 4 HZ2 TRP 4 -2.283 12.181 -11.375 31 HZ3 TRP 4 HZ3 TRP 4 -4.790 8.871 -12.350 32 HH2 TRP 4 HH2 TRP 4 -4.183 11.226 -12.601 33 H GLN 5 H GLN 5 1.958 5.542 -7.823 34 HA GLN 5 HA GLN 5 1.025 2.783 -7.370 35 HB2 GLN 5 2HB GLN 5 2.381 2.636 -9.383 36 HB3 GLN 5 3HB GLN 5 3.665 3.591 -8.656 37 HG2 GLN 5 2HG GLN 5 4.177 1.769 -7.105 38 HG3 GLN 5 3HG GLN 5 2.856 0.806 -7.763 39 HE21 GLN 5 1HE2 GLN 5 6.017 2.186 -8.449 40 HE22 GLN 5 2HE2 GLN 5 6.386 1.166 -9.793 41 H ILE 6 H ILE 6 1.062 2.500 -5.223 42 HA ILE 6 HA ILE 6 3.051 3.841 -3.493 43 HB ILE 6 HB ILE 6 0.716 2.037 -2.636 44 HG12 ILE 6 2HG1 ILE 6 0.713 5.085 -2.817 45 HG13 ILE 6 3HG1 ILE 6 -0.085 4.015 -3.962 46 HG21 ILE 6 1HG2 ILE 6 0.934 3.154 -0.436 47 HG22 ILE 6 2HG2 ILE 6 2.298 4.096 -1.038 48 HG23 ILE 6 3HG2 ILE 6 2.439 2.342 -0.889 49 HD11 ILE 6 3HD1 ILE 6 -1.544 3.201 -2.168 50 HD12 ILE 6 1HD1 ILE 6 -1.672 4.939 -2.430 51 HD13 ILE 6 2HD1 ILE 6 -0.769 4.325 -1.047 52 H LYS 7 H LYS 7 4.486 2.603 -2.205 53 HA LYS 7 HA LYS 7 4.642 -0.310 -2.561 54 HB2 LYS 7 2HB LYS 7 6.871 1.674 -3.179 55 HB3 LYS 7 3HB LYS 7 7.227 0.003 -2.751 56 HG2 LYS 7 2HG LYS 7 5.931 -0.800 -4.673 57 HG3 LYS 7 3HG LYS 7 5.500 0.859 -5.098 58 HD2 LYS 7 2HD LYS 7 7.760 1.393 -5.701 59 HD3 LYS 7 3HD LYS 7 8.382 -0.097 -4.982 60 HE2 LYS 7 2HE LYS 7 6.534 0.013 -7.393 61 HE3 LYS 7 3HE LYS 7 8.285 -0.179 -7.473 62 HZ1 LYS 7 3HZ LYS 7 6.375 -2.073 -6.194 63 HZ2 LYS 7 1HZ LYS 7 8.060 -2.239 -6.185 64 HZ3 LYS 7 2HZ LYS 7 7.212 -2.317 -7.643 65 H ILE 8 H ILE 8 4.376 -1.016 -0.618 66 HA ILE 8 HA ILE 8 5.270 0.448 1.779 67 HB ILE 8 HB ILE 8 3.350 -1.929 1.514 68 HG12 ILE 8 2HG1 ILE 8 2.561 1.012 1.807 69 HG13 ILE 8 3HG1 ILE 8 2.564 0.152 0.273 70 HG21 ILE 8 1HG2 ILE 8 2.574 -1.315 3.774 71 HG22 ILE 8 2HG2 ILE 8 3.769 -0.021 3.844 72 HG23 ILE 8 3HG2 ILE 8 4.296 -1.705 3.774 73 HD11 ILE 8 3HD1 ILE 8 0.866 -1.387 1.136 74 HD12 ILE 8 1HD1 ILE 8 0.337 0.294 1.170 75 HD13 ILE 8 2HD1 ILE 8 0.844 -0.495 2.661 76 H TYR 9 H TYR 9 7.324 -0.239 2.380 77 HA TYR 9 HA TYR 9 8.130 -3.065 2.006 78 HB2 TYR 9 2HB TYR 9 9.819 -0.575 2.562 79 HB3 TYR 9 3HB TYR 9 10.454 -2.204 2.346 80 HD1 TYR 9 HD2 TYR 9 10.345 -3.302 0.101 81 HD2 TYR 9 HD1 TYR 9 9.194 0.780 0.640 82 HE1 TYR 9 HE2 TYR 9 10.520 -2.934 -2.320 83 HE2 TYR 9 HE1 TYR 9 9.373 1.149 -1.788 84 HH TYR 9 HH TYR 9 10.513 0.162 -3.725 85 H SER 10 H SER 10 7.664 -4.253 3.819 86 HA SER 10 HA SER 10 9.068 -3.429 6.254 87 HB2 SER 10 2HB SER 10 6.731 -2.732 6.665 88 HB3 SER 10 3HB SER 10 6.178 -4.372 6.350 89 HG SER 10 HG SER 10 6.864 -3.428 8.646 90 H GLU 11 H GLU 11 9.505 -5.118 7.711 91 HA GLU 11 HA GLU 11 10.085 -7.700 6.530 92 HB2 GLU 11 2HB GLU 11 11.208 -8.144 8.692 93 HB3 GLU 11 3HB GLU 11 11.698 -6.583 8.037 94 HG2 GLU 11 2HG GLU 11 9.982 -5.502 9.571 95 HG3 GLU 11 3HG GLU 11 9.739 -7.086 10.299 96 H ASN 12 H ASN 12 7.484 -6.325 8.293 97 HA ASN 12 HA ASN 12 6.648 -8.888 9.526 98 HB2 ASN 12 2HB ASN 12 7.084 -6.734 10.937 99 HB3 ASN 12 3HB ASN 12 5.563 -6.144 10.285 100 HD21 ASN 12 1HD2 ASN 12 6.130 -6.638 13.038 101 HD22 ASN 12 2HD2 ASN 12 5.058 -7.873 13.592 102 H GLU 13 H GLU 13 4.743 -9.768 9.036 103 HA GLU 13 HA GLU 13 3.231 -8.949 6.730 104 HB2 GLU 13 2HB GLU 13 3.710 -11.319 7.222 105 HB3 GLU 13 3HB GLU 13 2.828 -11.213 8.740 106 HG2 GLU 13 2HG GLU 13 0.725 -10.834 7.493 107 HG3 GLU 13 3HG GLU 13 1.608 -10.915 5.970 108 H ARG 14 H ARG 14 2.944 -8.561 10.178 109 HA ARG 14 HA ARG 14 0.230 -8.148 10.602 110 HB2 ARG 14 2HB ARG 14 1.840 -8.296 12.441 111 HB3 ARG 14 3HB ARG 14 2.630 -6.812 11.925 112 HG2 ARG 14 2HG ARG 14 1.282 -6.355 13.884 113 HG3 ARG 14 3HG ARG 14 0.563 -5.542 12.497 114 HD2 ARG 14 2HD ARG 14 -1.051 -7.505 12.321 115 HD3 ARG 14 3HD ARG 14 -0.412 -8.071 13.871 116 HE ARG 14 HE ARG 14 -1.448 -5.329 13.717 117 HH11 ARG 14 1HH1 ARG 14 -2.043 -8.630 14.836 118 HH12 ARG 14 2HH1 ARG 14 -3.310 -8.141 15.913 119 HH21 ARG 14 1HH2 ARG 14 -3.146 -4.752 15.057 120 HH22 ARG 14 2HH2 ARG 14 -3.935 -5.950 16.038 121 H GLU 15 H GLU 15 2.608 -6.014 9.174 122 HA GLU 15 HA GLU 15 1.106 -3.614 9.210 123 HB2 GLU 15 2HB GLU 15 3.205 -4.346 7.135 124 HB3 GLU 15 3HB GLU 15 2.780 -2.738 7.709 125 HG2 GLU 15 2HG GLU 15 4.321 -4.890 9.178 126 HG3 GLU 15 3HG GLU 15 4.916 -3.332 8.623 127 H PHE 16 H PHE 16 1.626 -6.114 6.774 128 HA PHE 16 HA PHE 16 0.276 -4.778 4.637 129 HB2 PHE 16 2HB PHE 16 1.322 -7.634 4.912 130 HB3 PHE 16 3HB PHE 16 0.719 -6.934 3.404 131 HD1 PHE 16 HD1 PHE 16 1.925 -5.131 2.296 132 HD2 PHE 16 HD2 PHE 16 3.486 -6.933 5.817 133 HE1 PHE 16 HE1 PHE 16 4.060 -4.021 1.912 134 HE2 PHE 16 HE2 PHE 16 5.642 -5.823 5.427 135 HZ PHE 16 HZ PHE 16 5.935 -4.355 3.475 136 H ARG 17 H ARG 17 -0.607 -7.309 6.895 137 HA ARG 17 HA ARG 17 -2.798 -8.354 5.481 138 HB2 ARG 17 2HB ARG 17 -3.324 -9.597 7.451 139 HB3 ARG 17 3HB ARG 17 -1.577 -9.472 7.382 140 HG2 ARG 17 2HG ARG 17 -1.720 -8.918 9.578 141 HG3 ARG 17 3HG ARG 17 -2.182 -7.322 8.996 142 HD2 ARG 17 2HD ARG 17 -4.618 -8.149 9.089 143 HD3 ARG 17 3HD ARG 17 -3.997 -9.551 9.973 144 HE ARG 17 HE ARG 17 -3.062 -7.195 11.213 145 HH11 ARG 17 1HH1 ARG 17 -6.038 -9.025 10.831 146 HH12 ARG 17 2HH1 ARG 17 -6.736 -8.428 12.299 147 HH21 ARG 17 1HH2 ARG 17 -4.097 -6.273 13.053 148 HH22 ARG 17 2HH2 ARG 17 -5.648 -6.878 13.552 149 H GLU 18 H GLU 18 -2.539 -5.664 7.779 150 HA GLU 18 HA GLU 18 -5.349 -5.222 8.134 151 HB2 GLU 18 2HB GLU 18 -3.035 -3.301 8.644 152 HB3 GLU 18 3HB GLU 18 -4.675 -3.131 9.267 153 HG2 GLU 18 2HG GLU 18 -4.371 -5.294 10.501 154 HG3 GLU 18 3HG GLU 18 -2.692 -5.316 9.971 155 H LEU 19 H LEU 19 -2.833 -3.888 6.008 156 HA LEU 19 HA LEU 19 -4.378 -2.002 4.620 157 HB2 LEU 19 2HB LEU 19 -1.978 -3.667 3.859 158 HB3 LEU 19 3HB LEU 19 -2.843 -2.838 2.581 159 HG LEU 19 HG LEU 19 -0.904 -1.538 3.286 160 HD11 LEU 19 1HD1 LEU 19 -2.836 -0.279 2.473 161 HD12 LEU 19 2HD1 LEU 19 -1.941 0.635 3.681 162 HD13 LEU 19 3HD1 LEU 19 -3.466 -0.138 4.119 163 HD21 LEU 19 3HD2 LEU 19 -0.662 -2.304 5.582 164 HD22 LEU 19 1HD2 LEU 19 -2.127 -1.442 6.057 165 HD23 LEU 19 2HD2 LEU 19 -0.704 -0.545 5.520 166 H ILE 20 H ILE 20 -3.790 -5.450 3.801 167 HA ILE 20 HA ILE 20 -5.335 -5.648 1.525 168 HB ILE 20 HB ILE 20 -4.814 -7.827 3.602 169 HG12 ILE 20 2HG1 ILE 20 -2.708 -6.892 2.712 170 HG13 ILE 20 3HG1 ILE 20 -2.940 -8.531 2.127 171 HG21 ILE 20 1HG2 ILE 20 -6.674 -8.526 2.157 172 HG22 ILE 20 2HG2 ILE 20 -5.236 -9.480 1.811 173 HG23 ILE 20 3HG2 ILE 20 -5.717 -8.187 0.713 174 HD11 ILE 20 3HD1 ILE 20 -2.017 -7.089 0.421 175 HD12 ILE 20 1HD1 ILE 20 -3.401 -6.004 0.540 176 HD13 ILE 20 2HD1 ILE 20 -3.616 -7.652 -0.056 177 H GLU 21 H GLU 21 -6.408 -6.187 4.920 178 HA GLU 21 HA GLU 21 -9.075 -6.856 4.465 179 HB2 GLU 21 2HB GLU 21 -8.074 -5.075 6.722 180 HB3 GLU 21 3HB GLU 21 -9.568 -6.000 6.719 181 HG2 GLU 21 2HG GLU 21 -6.754 -7.103 6.799 182 HG3 GLU 21 3HG GLU 21 -7.900 -7.072 8.125 183 H ARG 22 H ARG 22 -7.721 -3.609 5.083 184 HA ARG 22 HA ARG 22 -10.148 -2.218 4.644 185 HB2 ARG 22 2HB ARG 22 -7.257 -1.309 4.812 186 HB3 ARG 22 3HB ARG 22 -8.565 -0.169 4.527 187 HG2 ARG 22 2HG ARG 22 -8.306 -1.967 6.965 188 HG3 ARG 22 3HG ARG 22 -7.928 -0.245 6.898 189 HD2 ARG 22 2HD ARG 22 -10.329 0.177 6.249 190 HD3 ARG 22 3HD ARG 22 -10.652 -1.531 6.546 191 HE ARG 22 HE ARG 22 -9.597 0.225 8.682 192 HH11 ARG 22 1HH1 ARG 22 -12.115 -1.975 7.528 193 HH12 ARG 22 2HH1 ARG 22 -12.924 -2.017 9.064 194 HH21 ARG 22 1HH2 ARG 22 -10.716 0.219 10.636 195 HH22 ARG 22 2HH2 ARG 22 -12.126 -0.775 10.825 196 H LEU 23 H LEU 23 -7.650 -3.234 2.373 197 HA LEU 23 HA LEU 23 -8.272 -1.362 0.280 198 HB2 LEU 23 2HB LEU 23 -6.781 -4.029 0.122 199 HB3 LEU 23 3HB LEU 23 -6.857 -2.838 -1.166 200 HG LEU 23 HG LEU 23 -5.429 -2.552 1.496 201 HD11 LEU 23 1HD1 LEU 23 -3.389 -2.336 0.143 202 HD12 LEU 23 2HD1 LEU 23 -4.333 -2.599 -1.325 203 HD13 LEU 23 3HD1 LEU 23 -4.197 -3.882 -0.123 204 HD21 LEU 23 3HD2 LEU 23 -6.442 -0.408 1.015 205 HD22 LEU 23 1HD2 LEU 23 -5.786 -0.426 -0.622 206 HD23 LEU 23 2HD2 LEU 23 -4.702 -0.316 0.765 207 H GLU 24 H GLU 24 -9.246 -4.641 1.138 208 HA GLU 24 HA GLU 24 -10.997 -5.105 -1.071 209 HB2 GLU 24 2HB GLU 24 -10.912 -6.341 1.714 210 HB3 GLU 24 3HB GLU 24 -12.008 -6.885 0.451 211 HG2 GLU 24 2HG GLU 24 -8.982 -7.020 0.413 212 HG3 GLU 24 3HG GLU 24 -10.105 -8.372 0.548 213 H GLU 25 H GLU 25 -11.296 -3.322 1.893 214 HA GLU 25 HA GLU 25 -14.203 -3.054 1.744 215 HB2 GLU 25 2HB GLU 25 -12.144 -1.828 3.638 216 HB3 GLU 25 3HB GLU 25 -13.892 -1.669 3.802 217 HG2 GLU 25 2HG GLU 25 -14.128 -4.098 4.103 218 HG3 GLU 25 3HG GLU 25 -12.400 -4.309 3.845 219 H GLU 26 H GLU 26 -11.400 -1.270 0.610 220 HA GLU 26 HA GLU 26 -12.823 1.237 0.284 221 HB2 GLU 26 2HB GLU 26 -10.166 0.408 -0.956 222 HB3 GLU 26 3HB GLU 26 -10.841 2.030 -0.967 223 HG2 GLU 26 2HG GLU 26 -9.703 0.492 1.361 224 HG3 GLU 26 3HG GLU 26 -9.192 2.047 0.724 225 H ARG 27 H ARG 27 -14.173 1.749 -1.320 226 HA ARG 27 HA ARG 27 -14.553 -0.162 -3.522 227 HB2 ARG 27 2HB ARG 27 -16.392 2.164 -2.821 228 HB3 ARG 27 3HB ARG 27 -16.773 0.745 -3.785 229 HG2 ARG 27 2HG ARG 27 -16.525 0.988 -0.787 230 HG3 ARG 27 3HG ARG 27 -17.896 0.419 -1.734 231 HD2 ARG 27 2HD ARG 27 -15.293 -1.036 -1.190 232 HD3 ARG 27 3HD ARG 27 -16.902 -1.453 -0.601 233 HE ARG 27 HE ARG 27 -17.351 -1.722 -3.174 234 HH11 ARG 27 1HH1 ARG 27 -14.462 -2.729 -1.417 235 HH12 ARG 27 2HH1 ARG 27 -14.115 -4.043 -2.493 236 HH21 ARG 27 1HH2 ARG 27 -16.861 -3.484 -4.573 237 HH22 ARG 27 2HH2 ARG 27 -15.465 -4.464 -4.263 238 HA PRO 28 HA PRO 28 -15.795 0.094 -5.752 239 HB2 PRO 28 2HB PRO 28 -14.857 -0.354 -8.259 240 HB3 PRO 28 3HB PRO 28 -15.821 1.088 -7.875 241 HG2 PRO 28 2HG PRO 28 -12.835 0.842 -8.105 242 HG3 PRO 28 3HG PRO 28 -13.916 2.075 -8.795 243 HD2 PRO 28 2HD PRO 28 -12.503 2.477 -6.487 244 HD3 PRO 28 3HD PRO 28 -14.075 3.246 -6.797 245 H SER 29 H SER 29 -12.278 0.019 -5.933 246 HA SER 29 HA SER 29 -11.814 -2.342 -4.566 247 HB2 SER 29 2HB SER 29 -12.803 -3.605 -6.470 248 HB3 SER 29 3HB SER 29 -11.732 -2.778 -7.599 249 HG SER 29 HG SER 29 -10.770 -4.361 -5.446 250 H VAL 30 H VAL 30 -9.609 -2.412 -4.107 251 HA VAL 30 HA VAL 30 -7.887 -0.408 -5.391 252 HB VAL 30 HB VAL 30 -7.440 -2.111 -2.898 253 HG11 VAL 30 1HG1 VAL 30 -5.281 -1.648 -3.984 254 HG12 VAL 30 2HG1 VAL 30 -5.427 -0.748 -2.479 255 HG13 VAL 30 3HG1 VAL 30 -5.647 0.079 -4.021 256 HG21 VAL 30 3HG2 VAL 30 -7.700 0.002 -1.656 257 HG22 VAL 30 1HG2 VAL 30 -9.148 -0.364 -2.595 258 HG23 VAL 30 2HG2 VAL 30 -8.014 0.864 -3.163 259 H GLN 31 H GLN 31 -6.597 -0.993 -7.001 260 HA GLN 31 HA GLN 31 -5.837 -3.678 -7.694 261 HB2 GLN 31 2HB GLN 31 -4.486 -1.071 -8.537 262 HB3 GLN 31 3HB GLN 31 -4.380 -2.622 -9.357 263 HG2 GLN 31 2HG GLN 31 -6.652 -2.466 -10.116 264 HG3 GLN 31 3HG GLN 31 -6.952 -1.053 -9.103 265 HE21 GLN 31 1HE2 GLN 31 -6.000 0.958 -9.704 266 HE22 GLN 31 2HE2 GLN 31 -5.476 1.253 -11.325 267 H TYR 32 H TYR 32 -4.094 -4.829 -6.871 268 HA TYR 32 HA TYR 32 -1.729 -3.479 -5.939 269 HB2 TYR 32 2HB TYR 32 -1.746 -4.329 -3.628 270 HB3 TYR 32 3HB TYR 32 -3.070 -3.225 -3.925 271 HD1 TYR 32 HD2 TYR 32 -2.235 -6.836 -3.439 272 HD2 TYR 32 HD1 TYR 32 -5.345 -3.907 -3.507 273 HE1 TYR 32 HE2 TYR 32 -3.783 -8.456 -2.438 274 HE2 TYR 32 HE1 TYR 32 -6.892 -5.529 -2.497 275 HH TYR 32 HH TYR 32 -7.175 -7.857 -2.153 276 H THR 33 H THR 33 -0.007 -4.853 -5.374 277 HA THR 33 HA THR 33 -0.114 -7.698 -6.068 278 HB THR 33 HB THR 33 1.821 -5.723 -7.421 279 HG1 THR 33 HG1 THR 33 -0.648 -6.695 -8.170 280 HG21 THR 33 3HG2 THR 33 2.576 -7.659 -8.747 281 HG22 THR 33 1HG2 THR 33 1.502 -8.724 -7.832 282 HG23 THR 33 2HG2 THR 33 2.863 -7.935 -7.030 283 H GLU 34 H GLU 34 0.781 -8.574 -4.269 284 HA GLU 34 HA GLU 34 2.863 -7.069 -2.763 285 HB2 GLU 34 2HB GLU 34 0.589 -7.448 -1.691 286 HB3 GLU 34 3HB GLU 34 0.916 -9.169 -1.693 287 HG2 GLU 34 2HG GLU 34 2.643 -7.136 -0.258 288 HG3 GLU 34 3HG GLU 34 1.297 -7.973 0.505 289 H THR 35 H THR 35 4.824 -8.051 -2.441 290 HA THR 35 HA THR 35 5.302 -10.863 -3.159 291 HB THR 35 HB THR 35 6.706 -8.543 -4.596 292 HG1 THR 35 HG1 THR 35 4.420 -9.921 -5.192 293 HG21 THR 35 3HG2 THR 35 7.763 -10.250 -5.995 294 HG22 THR 35 1HG2 THR 35 6.957 -11.536 -5.087 295 HG23 THR 35 2HG2 THR 35 8.176 -10.527 -4.305 296 H THR 36 H THR 36 7.036 -11.702 -1.981 297 HA THR 36 HA THR 36 8.524 -9.949 -0.159 298 HB THR 36 HB THR 36 8.580 -12.993 -0.442 299 HG1 THR 36 HG1 THR 36 6.616 -11.630 0.387 300 HG21 THR 36 3HG2 THR 36 10.641 -12.083 0.642 301 HG22 THR 36 1HG2 THR 36 9.646 -13.000 1.771 302 HG23 THR 36 2HG2 THR 36 9.630 -11.238 1.818 303 H ARG 37 H ARG 37 10.398 -9.052 -0.816 304 HA ARG 37 HA ARG 37 12.316 -10.571 -2.482 305 HB2 ARG 37 2HB ARG 37 10.999 -9.026 -3.974 306 HB3 ARG 37 3HB ARG 37 11.543 -7.660 -3.005 307 HG2 ARG 37 2HG ARG 37 13.908 -8.249 -3.625 308 HG3 ARG 37 3HG ARG 37 13.265 -9.485 -4.706 309 HD2 ARG 37 2HD ARG 37 12.081 -7.726 -5.997 310 HD3 ARG 37 3HD ARG 37 12.730 -6.499 -4.902 311 HE ARG 37 HE ARG 37 14.886 -7.946 -5.941 312 HH11 ARG 37 1HH1 ARG 37 12.428 -5.695 -7.142 313 HH12 ARG 37 2HH1 ARG 37 13.432 -5.092 -8.417 314 HH21 ARG 37 1HH2 ARG 37 16.201 -7.123 -7.618 315 HH22 ARG 37 2HH2 ARG 37 15.571 -5.906 -8.679 316 H ASN 38 H ASN 38 14.260 -10.556 -1.546 317 HA ASN 38 HA ASN 38 16.216 -9.918 -0.614 318 HB2 ASN 38 2HB ASN 38 15.132 -7.065 -0.567 319 HB3 ASN 38 3HB ASN 38 16.812 -7.542 -0.369 320 HD21 ASN 38 1HD2 ASN 38 16.579 -9.570 -2.568 321 HD22 ASN 38 2HD2 ASN 38 16.620 -8.647 -4.018 322 H GLY 39 H GLY 39 14.002 -10.825 1.019 323 HA2 GLY 39 2HA GLY 39 14.091 -11.493 3.264 324 HA3 GLY 39 3HA GLY 39 15.132 -10.128 3.639 325 H ARG 40 H ARG 40 13.032 -8.452 2.084 326 HA ARG 40 HA ARG 40 11.022 -8.194 4.247 327 HB2 ARG 40 2HB ARG 40 12.207 -6.012 2.469 328 HB3 ARG 40 3HB ARG 40 10.945 -5.762 3.672 329 HG2 ARG 40 2HG ARG 40 12.470 -6.230 5.483 330 HG3 ARG 40 3HG ARG 40 13.720 -6.772 4.358 331 HD2 ARG 40 2HD ARG 40 12.655 -3.937 4.606 332 HD3 ARG 40 3HD ARG 40 14.216 -4.524 5.189 333 HE ARG 40 HE ARG 40 13.881 -5.008 2.397 334 HH11 ARG 40 1HH1 ARG 40 14.757 -2.443 4.669 335 HH12 ARG 40 2HH1 ARG 40 15.679 -1.561 3.491 336 HH21 ARG 40 1HH2 ARG 40 15.064 -3.840 0.870 337 HH22 ARG 40 2HH2 ARG 40 15.852 -2.361 1.326 338 H ARG 41 H ARG 41 8.876 -7.844 3.567 339 HA ARG 41 HA ARG 41 8.313 -8.471 0.742 340 HB2 ARG 41 2HB ARG 41 6.039 -9.038 1.515 341 HB3 ARG 41 3HB ARG 41 7.266 -9.938 2.394 342 HG2 ARG 41 2HG ARG 41 7.020 -8.247 4.260 343 HG3 ARG 41 3HG ARG 41 5.639 -7.598 3.378 344 HD2 ARG 41 2HD ARG 41 5.915 -10.422 4.433 345 HD3 ARG 41 3HD ARG 41 4.927 -9.142 5.140 346 HE ARG 41 HE ARG 41 3.961 -9.371 2.595 347 HH11 ARG 41 1HH1 ARG 41 4.505 -11.682 5.203 348 HH12 ARG 41 2HH1 ARG 41 3.182 -12.706 4.743 349 HH21 ARG 41 1HH2 ARG 41 2.173 -10.711 2.030 350 HH22 ARG 41 2HH2 ARG 41 1.853 -12.155 2.937 351 H GLN 42 H GLN 42 6.582 -7.267 -0.371 352 HA GLN 42 HA GLN 42 6.390 -4.450 0.417 353 HB2 GLN 42 2HB GLN 42 7.068 -3.746 -1.928 354 HB3 GLN 42 3HB GLN 42 8.368 -4.408 -0.949 355 HG2 GLN 42 2HG GLN 42 8.229 -6.543 -2.135 356 HG3 GLN 42 3HG GLN 42 6.852 -5.961 -3.064 357 HE21 GLN 42 1HE2 GLN 42 7.198 -4.590 -4.809 358 HE22 GLN 42 2HE2 GLN 42 8.769 -4.286 -5.456 359 H LEU 43 H LEU 43 4.430 -3.605 0.024 360 HA LEU 43 HA LEU 43 2.519 -5.075 -1.688 361 HB2 LEU 43 2HB LEU 43 2.218 -4.116 0.874 362 HB3 LEU 43 3HB LEU 43 1.586 -2.757 -0.017 363 HG LEU 43 HG LEU 43 0.531 -5.612 -0.164 364 HD11 LEU 43 1HD1 LEU 43 -0.639 -3.176 1.208 365 HD12 LEU 43 2HD1 LEU 43 0.024 -4.614 1.991 366 HD13 LEU 43 3HD1 LEU 43 -1.444 -4.738 1.024 367 HD21 LEU 43 3HD2 LEU 43 0.194 -4.461 -2.288 368 HD22 LEU 43 1HD2 LEU 43 -0.564 -3.104 -1.452 369 HD23 LEU 43 2HD2 LEU 43 -1.338 -4.691 -1.446 370 H THR 44 H THR 44 2.516 -4.335 -3.710 371 HA THR 44 HA THR 44 3.144 -1.515 -4.307 372 HB THR 44 HB THR 44 3.200 -3.987 -6.111 373 HG1 THR 44 HG1 THR 44 4.865 -3.820 -4.469 374 HG21 THR 44 3HG2 THR 44 4.360 -2.533 -7.744 375 HG22 THR 44 1HG2 THR 44 4.109 -1.135 -6.695 376 HG23 THR 44 2HG2 THR 44 2.726 -1.950 -7.433 377 H ILE 45 H ILE 45 1.328 -0.381 -4.309 378 HA ILE 45 HA ILE 45 -1.272 -1.489 -5.156 379 HB ILE 45 HB ILE 45 -0.495 1.028 -3.586 380 HG12 ILE 45 2HG1 ILE 45 -1.866 -1.524 -2.625 381 HG13 ILE 45 3HG1 ILE 45 -0.164 -1.153 -2.395 382 HG21 ILE 45 1HG2 ILE 45 -2.903 1.358 -3.118 383 HG22 ILE 45 2HG2 ILE 45 -3.298 0.031 -4.210 384 HG23 ILE 45 3HG2 ILE 45 -2.546 1.496 -4.842 385 HD11 ILE 45 3HD1 ILE 45 -2.502 0.311 -1.191 386 HD12 ILE 45 1HD1 ILE 45 -0.811 0.797 -1.027 387 HD13 ILE 45 2HD1 ILE 45 -1.353 -0.749 -0.376 388 H ARG 46 H ARG 46 -2.356 -0.633 -6.910 389 HA ARG 46 HA ARG 46 -1.102 1.572 -8.455 390 HB2 ARG 46 2HB ARG 46 -2.706 -0.806 -9.510 391 HB3 ARG 46 3HB ARG 46 -1.992 0.471 -10.490 392 HG2 ARG 46 2HG ARG 46 0.261 -0.256 -9.872 393 HG3 ARG 46 3HG ARG 46 -0.403 -1.466 -8.772 394 HD2 ARG 46 2HD ARG 46 -1.469 -2.603 -10.734 395 HD3 ARG 46 3HD ARG 46 -0.681 -1.430 -11.796 396 HE ARG 46 HE ARG 46 1.484 -2.315 -10.811 397 HH11 ARG 46 1HH1 ARG 46 -1.362 -4.367 -11.128 398 HH12 ARG 46 2HH1 ARG 46 -0.437 -5.828 -11.246 399 HH21 ARG 46 1HH2 ARG 46 2.682 -4.245 -10.957 400 HH22 ARG 46 2HH2 ARG 46 1.857 -5.758 -11.153 401 H SER 47 H SER 47 -2.468 3.173 -9.181 402 HA SER 47 HA SER 47 -5.316 3.128 -8.457 403 HB2 SER 47 2HB SER 47 -4.221 4.059 -6.483 404 HB3 SER 47 3HB SER 47 -3.273 5.161 -7.483 405 HG SER 47 HG SER 47 -6.089 5.184 -7.114 406 H ASN 48 H ASN 48 -6.564 4.708 -9.520 407 HA ASN 48 HA ASN 48 -5.426 5.524 -12.142 408 HB2 ASN 48 2HB ASN 48 -8.307 4.871 -11.406 409 HB3 ASN 48 3HB ASN 48 -7.722 5.257 -13.023 410 HD21 ASN 48 1HD2 ASN 48 -9.081 2.848 -11.959 411 HD22 ASN 48 2HD2 ASN 48 -8.053 1.518 -12.357 412 H ASP 49 H ASP 49 -6.217 6.888 -9.255 413 HA ASP 49 HA ASP 49 -6.724 9.535 -10.430 414 HB2 ASP 49 2HB ASP 49 -8.974 8.696 -9.909 415 HB3 ASP 49 3HB ASP 49 -8.484 8.294 -8.271 416 H LYS 50 H LYS 50 -5.897 11.279 -9.145 417 HA LYS 50 HA LYS 50 -3.663 10.581 -7.521 418 HB2 LYS 50 2HB LYS 50 -4.384 12.898 -8.920 419 HB3 LYS 50 3HB LYS 50 -4.472 13.433 -7.254 420 HG2 LYS 50 2HG LYS 50 -2.068 12.370 -8.763 421 HG3 LYS 50 3HG LYS 50 -2.282 13.962 -8.058 422 HD2 LYS 50 2HD LYS 50 -1.995 11.402 -6.433 423 HD3 LYS 50 3HD LYS 50 -0.664 12.480 -6.828 424 HE2 LYS 50 2HE LYS 50 -1.720 14.290 -5.562 425 HE3 LYS 50 3HE LYS 50 -3.105 13.254 -5.205 426 HZ1 LYS 50 3HZ LYS 50 -1.544 11.740 -4.041 427 HZ2 LYS 50 1HZ LYS 50 -1.636 13.271 -3.325 428 HZ3 LYS 50 2HZ LYS 50 -0.302 12.862 -4.283 429 H ASN 51 H ASN 51 -6.906 11.853 -6.711 430 HA ASN 51 HA ASN 51 -6.386 12.206 -3.919 431 HB2 ASN 51 2HB ASN 51 -9.014 11.882 -5.439 432 HB3 ASN 51 3HB ASN 51 -8.939 12.189 -3.707 433 HD21 ASN 51 1HD2 ASN 51 -10.133 13.817 -5.800 434 HD22 ASN 51 2HD2 ASN 51 -9.364 15.360 -5.719 435 H GLU 52 H GLU 52 -7.485 9.501 -5.877 436 HA GLU 52 HA GLU 52 -8.308 7.742 -3.807 437 HB2 GLU 52 2HB GLU 52 -8.971 7.458 -6.158 438 HB3 GLU 52 3HB GLU 52 -7.307 7.142 -6.628 439 HG2 GLU 52 2HG GLU 52 -7.332 5.063 -5.327 440 HG3 GLU 52 3HG GLU 52 -8.983 5.387 -4.804 441 H VAL 53 H VAL 53 -5.186 7.929 -5.622 442 HA VAL 53 HA VAL 53 -3.835 5.931 -4.128 443 HB VAL 53 HB VAL 53 -3.003 6.662 -6.332 444 HG11 VAL 53 1HG1 VAL 53 -1.733 8.754 -6.628 445 HG12 VAL 53 2HG1 VAL 53 -2.183 9.248 -4.996 446 HG13 VAL 53 3HG1 VAL 53 -3.427 9.051 -6.229 447 HG21 VAL 53 3HG2 VAL 53 -0.575 6.712 -5.842 448 HG22 VAL 53 1HG2 VAL 53 -1.417 5.517 -4.851 449 HG23 VAL 53 2HG2 VAL 53 -0.928 7.060 -4.147 450 H ASP 54 H ASP 54 -4.250 9.389 -3.618 451 HA ASP 54 HA ASP 54 -2.312 9.757 -1.566 452 HB2 ASP 54 2HB ASP 54 -3.400 11.553 -3.025 453 HB3 ASP 54 3HB ASP 54 -4.850 11.391 -2.045 454 H ARG 55 H ARG 55 -5.681 8.789 -1.634 455 HA ARG 55 HA ARG 55 -6.287 8.994 1.130 456 HB2 ARG 55 2HB ARG 55 -8.045 8.928 -0.612 457 HB3 ARG 55 3HB ARG 55 -7.587 7.282 -1.037 458 HG2 ARG 55 2HG ARG 55 -8.249 6.541 1.241 459 HG3 ARG 55 3HG ARG 55 -8.773 8.180 1.611 460 HD2 ARG 55 2HD ARG 55 -10.563 8.054 0.012 461 HD3 ARG 55 3HD ARG 55 -9.921 6.559 -0.676 462 HE ARG 55 HE ARG 55 -10.705 5.354 1.156 463 HH11 ARG 55 1HH1 ARG 55 -11.516 8.759 1.576 464 HH12 ARG 55 2HH1 ARG 55 -12.663 8.441 2.836 465 HH21 ARG 55 1HH2 ARG 55 -12.161 4.964 2.812 466 HH22 ARG 55 2HH2 ARG 55 -13.032 6.284 3.534 467 H ILE 56 H ILE 56 -5.110 6.332 -0.883 468 HA ILE 56 HA ILE 56 -5.142 4.361 1.239 469 HB ILE 56 HB ILE 56 -3.755 4.230 -1.486 470 HG12 ILE 56 2HG1 ILE 56 -6.554 3.192 -0.808 471 HG13 ILE 56 3HG1 ILE 56 -6.257 4.720 -1.627 472 HG21 ILE 56 1HG2 ILE 56 -4.633 2.009 0.395 473 HG22 ILE 56 2HG2 ILE 56 -2.969 2.512 0.084 474 HG23 ILE 56 3HG2 ILE 56 -3.925 1.777 -1.203 475 HD11 ILE 56 3HD1 ILE 56 -6.872 2.992 -3.201 476 HD12 ILE 56 1HD1 ILE 56 -5.521 1.988 -2.673 477 HD13 ILE 56 2HD1 ILE 56 -5.215 3.524 -3.489 478 H LEU 57 H LEU 57 -2.853 6.601 -0.186 479 HA LEU 57 HA LEU 57 -0.428 5.610 0.852 480 HB2 LEU 57 2HB LEU 57 -0.643 7.290 -1.012 481 HB3 LEU 57 3HB LEU 57 -1.124 8.495 0.172 482 HG LEU 57 HG LEU 57 1.126 8.250 1.277 483 HD11 LEU 57 1HD1 LEU 57 1.739 6.441 -1.069 484 HD12 LEU 57 2HD1 LEU 57 1.655 5.983 0.635 485 HD13 LEU 57 3HD1 LEU 57 2.922 7.072 0.080 486 HD21 LEU 57 3HD2 LEU 57 1.249 8.992 -1.667 487 HD22 LEU 57 1HD2 LEU 57 2.412 9.470 -0.426 488 HD23 LEU 57 2HD2 LEU 57 0.753 10.057 -0.349 489 H GLU 58 H GLU 58 -2.692 8.093 2.063 490 HA GLU 58 HA GLU 58 -1.215 8.649 4.448 491 HB2 GLU 58 2HB GLU 58 -3.123 9.978 5.140 492 HB3 GLU 58 3HB GLU 58 -2.863 10.236 3.419 493 HG2 GLU 58 2HG GLU 58 -4.704 8.585 2.961 494 HG3 GLU 58 3HG GLU 58 -5.002 8.509 4.693 495 H GLU 59 H GLU 59 -3.609 6.242 3.564 496 HA GLU 59 HA GLU 59 -4.544 5.441 6.095 497 HB2 GLU 59 2HB GLU 59 -5.580 4.758 3.919 498 HB3 GLU 59 3HB GLU 59 -4.204 3.709 3.603 499 HG2 GLU 59 2HG GLU 59 -4.812 2.491 5.764 500 HG3 GLU 59 3HG GLU 59 -6.306 3.414 5.766 501 H VAL 60 H VAL 60 -1.923 4.043 4.074 502 HA VAL 60 HA VAL 60 -1.034 2.173 6.013 503 HB VAL 60 HB VAL 60 -0.431 1.805 3.708 504 HG11 VAL 60 1HG1 VAL 60 1.260 4.314 3.780 505 HG12 VAL 60 2HG1 VAL 60 -0.248 4.098 2.893 506 HG13 VAL 60 3HG1 VAL 60 1.173 3.155 2.447 507 HG21 VAL 60 3HG2 VAL 60 1.112 0.859 5.358 508 HG22 VAL 60 1HG2 VAL 60 2.090 2.327 5.325 509 HG23 VAL 60 2HG2 VAL 60 1.984 1.302 3.891 510 H ARG 61 H ARG 61 -0.136 5.565 5.492 511 HA ARG 61 HA ARG 61 2.120 5.655 7.242 512 HB2 ARG 61 2HB ARG 61 0.275 7.851 6.218 513 HB3 ARG 61 3HB ARG 61 1.751 8.165 7.127 514 HG2 ARG 61 2HG ARG 61 3.131 7.270 5.368 515 HG3 ARG 61 3HG ARG 61 1.725 6.646 4.500 516 HD2 ARG 61 2HD ARG 61 2.605 8.688 3.443 517 HD3 ARG 61 3HD ARG 61 0.962 8.935 4.043 518 HE ARG 61 HE ARG 61 2.681 9.779 6.054 519 HH11 ARG 61 1HH1 ARG 61 2.032 10.730 2.727 520 HH12 ARG 61 2HH1 ARG 61 2.462 12.391 2.987 521 HH21 ARG 61 1HH2 ARG 61 3.188 11.959 6.413 522 HH22 ARG 61 2HH2 ARG 61 3.124 13.093 5.098 523 H ARG 62 H ARG 62 -1.337 6.053 7.778 524 HA ARG 62 HA ARG 62 -1.124 7.141 10.460 525 HB2 ARG 62 2HB ARG 62 -3.416 6.156 8.713 526 HB3 ARG 62 3HB ARG 62 -3.688 6.605 10.389 527 HG2 ARG 62 2HG ARG 62 -2.493 8.518 8.367 528 HG3 ARG 62 3HG ARG 62 -4.229 8.364 8.640 529 HD2 ARG 62 2HD ARG 62 -2.145 9.214 10.666 530 HD3 ARG 62 3HD ARG 62 -3.386 10.231 9.928 531 HE ARG 62 HE ARG 62 -3.690 8.436 12.150 532 HH11 ARG 62 1HH1 ARG 62 -5.534 9.972 9.540 533 HH12 ARG 62 2HH1 ARG 62 -7.041 9.820 10.383 534 HH21 ARG 62 1HH2 ARG 62 -5.677 8.252 13.211 535 HH22 ARG 62 2HH2 ARG 62 -7.120 8.849 12.452 536 H LYS 63 H LYS 63 -1.998 4.039 8.985 537 HA LYS 63 HA LYS 63 -2.896 2.860 11.477 538 HB2 LYS 63 2HB LYS 63 -4.164 2.466 9.457 539 HB3 LYS 63 3HB LYS 63 -2.741 1.894 8.596 540 HG2 LYS 63 2HG LYS 63 -2.692 -0.143 9.927 541 HG3 LYS 63 3HG LYS 63 -4.019 0.447 10.936 542 HD2 LYS 63 2HD LYS 63 -4.776 -1.200 9.214 543 HD3 LYS 63 3HD LYS 63 -5.563 0.369 9.046 544 HE2 LYS 63 2HE LYS 63 -3.854 0.918 7.242 545 HE3 LYS 63 3HE LYS 63 -3.321 -0.763 7.334 546 HZ1 LYS 63 3HZ LYS 63 -6.073 0.146 6.657 547 HZ2 LYS 63 1HZ LYS 63 -5.559 -1.463 6.733 548 HZ3 LYS 63 2HZ LYS 63 -4.930 -0.429 5.553 549 H VAL 64 H VAL 64 -0.214 2.363 9.183 550 HA VAL 64 HA VAL 64 1.274 0.844 11.227 551 HB VAL 64 HB VAL 64 2.093 -0.768 9.467 552 HG11 VAL 64 1HG1 VAL 64 0.045 -2.193 9.430 553 HG12 VAL 64 2HG1 VAL 64 -0.901 -0.821 10.002 554 HG13 VAL 64 3HG1 VAL 64 0.365 -1.504 11.022 555 HG21 VAL 64 3HG2 VAL 64 1.586 0.516 7.432 556 HG22 VAL 64 1HG2 VAL 64 -0.144 0.373 7.746 557 HG23 VAL 64 2HG2 VAL 64 0.811 -1.067 7.371 558 HA PRO 65 HA PRO 65 3.839 4.333 9.339 559 HB2 PRO 65 2HB PRO 65 4.608 5.503 11.682 560 HB3 PRO 65 3HB PRO 65 3.019 5.821 10.955 561 HG2 PRO 65 2HG PRO 65 3.707 3.893 13.166 562 HG3 PRO 65 3HG PRO 65 2.399 5.103 13.102 563 HD2 PRO 65 2HD PRO 65 1.949 2.495 12.544 564 HD3 PRO 65 3HD PRO 65 1.075 3.795 11.699 565 H ASN 66 H ASN 66 4.359 1.644 11.323 566 HA ASN 66 HA ASN 66 7.158 1.690 11.749 567 HB2 ASN 66 2HB ASN 66 5.502 -0.828 11.282 568 HB3 ASN 66 3HB ASN 66 6.950 -0.655 12.265 569 HD21 ASN 66 1HD2 ASN 66 4.108 -1.580 12.769 570 HD22 ASN 66 2HD2 ASN 66 3.625 -0.731 14.197 571 H ALA 67 H ALA 67 5.065 0.467 9.174 572 HA ALA 67 HA ALA 67 7.079 -0.708 7.535 573 HB1 ALA 67 3HB ALA 67 4.719 -1.402 7.431 574 HB2 ALA 67 1HB ALA 67 5.281 -0.868 5.848 575 HB3 ALA 67 2HB ALA 67 4.254 0.190 6.826 576 H ARG 68 H ARG 68 8.347 0.196 5.956 577 HA ARG 68 HA ARG 68 8.618 3.016 5.664 578 HB2 ARG 68 2HB ARG 68 10.538 1.486 5.383 579 HB3 ARG 68 3HB ARG 68 9.773 0.748 3.979 580 HG2 ARG 68 2HG ARG 68 11.530 2.285 3.260 581 HG3 ARG 68 3HG ARG 68 9.956 2.904 2.757 582 HD2 ARG 68 2HD ARG 68 9.966 4.442 4.720 583 HD3 ARG 68 3HD ARG 68 11.573 3.850 5.152 584 HE ARG 68 HE ARG 68 11.566 4.794 2.485 585 HH11 ARG 68 1HH1 ARG 68 11.432 6.062 5.785 586 HH12 ARG 68 2HH1 ARG 68 12.164 7.574 5.350 587 HH21 ARG 68 1HH2 ARG 68 12.570 6.757 1.958 588 HH22 ARG 68 2HH2 ARG 68 12.807 7.967 3.180 589 H VAL 69 H VAL 69 7.259 4.273 4.563 590 HA VAL 69 HA VAL 69 5.525 3.198 2.449 591 HB VAL 69 HB VAL 69 5.493 5.922 3.837 592 HG11 VAL 69 1HG1 VAL 69 4.413 5.990 1.639 593 HG12 VAL 69 2HG1 VAL 69 3.216 6.146 2.922 594 HG13 VAL 69 3HG1 VAL 69 3.400 4.610 2.070 595 HG21 VAL 69 3HG2 VAL 69 3.783 3.465 4.410 596 HG22 VAL 69 1HG2 VAL 69 3.615 5.044 5.186 597 HG23 VAL 69 2HG2 VAL 69 5.075 4.085 5.439 598 H ARG 70 H ARG 70 5.977 3.539 0.330 599 HA ARG 70 HA ARG 70 7.665 5.815 -0.527 600 HB2 ARG 70 2HB ARG 70 9.151 3.852 -0.287 601 HB3 ARG 70 3HB ARG 70 8.068 2.866 -1.261 602 HG2 ARG 70 2HG ARG 70 10.021 3.504 -2.565 603 HG3 ARG 70 3HG ARG 70 8.583 4.271 -3.239 604 HD2 ARG 70 2HD ARG 70 9.184 6.396 -2.218 605 HD3 ARG 70 3HD ARG 70 10.549 5.648 -1.377 606 HE ARG 70 HE ARG 70 10.725 5.309 -4.213 607 HH11 ARG 70 1HH1 ARG 70 11.273 7.675 -1.660 608 HH12 ARG 70 2HH1 ARG 70 12.479 8.540 -2.553 609 HH21 ARG 70 1HH2 ARG 70 12.362 6.431 -5.355 610 HH22 ARG 70 2HH2 ARG 70 13.100 7.836 -4.648 611 H GLU 71 H GLU 71 6.099 6.920 -1.704 612 HA GLU 71 HA GLU 71 4.403 5.445 -3.622 613 HB2 GLU 71 2HB GLU 71 3.475 7.218 -2.036 614 HB3 GLU 71 3HB GLU 71 4.316 8.428 -2.984 615 HG2 GLU 71 2HG GLU 71 2.466 6.560 -4.448 616 HG3 GLU 71 3HG GLU 71 1.731 7.764 -3.401 617 H THR 72 H THR 72 5.130 5.206 -5.567 618 HA THR 72 HA THR 72 7.052 7.059 -6.828 619 HB THR 72 HB THR 72 7.659 5.006 -8.226 620 HG1 THR 72 HG1 THR 72 5.513 3.989 -7.038 621 HG21 THR 72 3HG2 THR 72 8.052 4.727 -5.218 622 HG22 THR 72 1HG2 THR 72 9.079 5.656 -6.314 623 HG23 THR 72 2HG2 THR 72 8.998 3.901 -6.457 624 H GLU 73 H GLU 73 6.010 8.326 -8.293 625 HA GLU 73 HA GLU 73 3.637 7.363 -9.749 626 HB2 GLU 73 2HB GLU 73 3.576 9.635 -8.731 627 HB3 GLU 73 3HB GLU 73 4.952 10.123 -9.713 628 HG2 GLU 73 2HG GLU 73 3.554 9.696 -11.766 629 HG3 GLU 73 3HG GLU 73 2.171 9.394 -10.714 630 H THR 74 H THR 74 3.664 6.960 -11.934 631 HA THR 74 HA THR 74 6.219 6.519 -13.238 632 HB THR 74 HB THR 74 3.426 6.110 -14.388 633 HG1 THR 74 HG1 THR 74 3.878 5.007 -12.311 634 HG21 THR 74 3HG2 THR 74 4.477 4.387 -15.785 635 HG22 THR 74 1HG2 THR 74 6.046 4.714 -15.047 636 HG23 THR 74 2HG2 THR 74 5.271 5.940 -16.050 637 H GLY 75 H GLY 75 6.955 7.552 -15.126 638 HA2 GLY 75 2HA GLY 75 5.866 9.123 -16.992 639 HA3 GLY 75 3HA GLY 75 5.956 10.260 -15.649 640 H SER 76 H SER 76 7.480 9.623 -18.377 641 HA SER 76 HA SER 76 10.003 10.756 -17.469 642 HB2 SER 76 2HB SER 76 10.369 8.266 -17.353 643 HB3 SER 76 3HB SER 76 9.949 8.134 -19.061 644 HG SER 76 HG SER 76 11.813 9.889 -19.089 645 H LEU 77 H LEU 77 8.849 12.500 -18.580 646 HA LEU 77 HA LEU 77 8.588 12.323 -21.518 647 HB2 LEU 77 2HB LEU 77 7.559 14.451 -19.589 648 HB3 LEU 77 3HB LEU 77 7.203 14.369 -21.304 649 HG LEU 77 HG LEU 77 6.256 12.376 -19.201 650 HD11 LEU 77 1HD1 LEU 77 4.017 13.305 -19.579 651 HD12 LEU 77 2HD1 LEU 77 4.675 14.488 -20.712 652 HD13 LEU 77 3HD1 LEU 77 5.130 14.549 -19.008 653 HD21 LEU 77 3HD2 LEU 77 4.897 11.365 -20.967 654 HD22 LEU 77 1HD2 LEU 77 6.611 11.275 -21.370 655 HD23 LEU 77 2HD2 LEU 77 5.582 12.472 -22.161 656 H GLU 78 H GLU 78 11.202 12.479 -20.465 657 HA GLU 78 HA GLU 78 12.170 15.162 -20.318 658 HB2 GLU 78 2HB GLU 78 14.450 14.104 -20.298 659 HB3 GLU 78 3HB GLU 78 13.350 13.505 -19.071 660 HG2 GLU 78 2HG GLU 78 14.482 11.601 -19.803 661 HG3 GLU 78 3HG GLU 78 12.920 11.517 -20.616 662 H HIS 79 H HIS 79 13.469 16.296 -21.765 663 HA HIS 79 HA HIS 79 12.540 15.984 -24.519 664 HB2 HIS 79 2HB HIS 79 13.957 18.285 -23.104 665 HB3 HIS 79 3HB HIS 79 13.435 18.328 -24.790 666 HD1 HIS 79 HD1 HIS 79 11.170 19.327 -25.139 667 HD2 HIS 79 HD2 HIS 79 11.598 17.825 -21.283 668 HE1 HIS 79 HE1 HIS 79 9.033 19.890 -23.949 669 HE2 HIS 79 HE2 HIS 79 9.238 18.790 -21.703 670 H HIS 80 H HIS 80 13.761 14.843 -25.871 671 HA HIS 80 HA HIS 80 16.523 14.267 -25.539 672 HB2 HIS 80 2HB HIS 80 14.682 13.936 -27.948 673 HB3 HIS 80 3HB HIS 80 16.346 13.351 -27.905 674 HD1 HIS 80 HD1 HIS 80 12.954 12.339 -27.075 675 HD2 HIS 80 HD2 HIS 80 16.773 11.348 -25.769 676 HE1 HIS 80 HE1 HIS 80 12.703 10.167 -25.843 677 HE2 HIS 80 HE2 HIS 80 14.963 9.751 -24.843 678 H HIS 81 H HIS 81 18.151 15.613 -25.842 679 HA HIS 81 HA HIS 81 17.753 18.267 -26.859 680 HB2 HIS 81 2HB HIS 81 20.394 16.992 -26.023 681 HB3 HIS 81 3HB HIS 81 20.010 18.710 -26.079 682 HD1 HIS 81 HD1 HIS 81 20.147 15.901 -23.802 683 HD2 HIS 81 HD2 HIS 81 17.942 19.422 -24.026 684 HE1 HIS 81 HE1 HIS 81 19.181 16.238 -21.513 685 HE2 HIS 81 HE2 HIS 81 18.017 18.461 -21.628 686 H HIS 82 H HIS 82 17.487 18.345 -29.070 687 HA HIS 82 HA HIS 82 19.214 16.950 -30.925 688 HB2 HIS 82 2HB HIS 82 17.961 18.110 -32.700 689 HB3 HIS 82 3HB HIS 82 16.861 17.400 -31.521 690 HD1 HIS 82 HD1 HIS 82 17.956 20.669 -32.943 691 HD2 HIS 82 HD2 HIS 82 15.406 19.280 -29.978 692 HE1 HIS 82 HE1 HIS 82 16.558 22.640 -32.270 693 HE2 HIS 82 HE2 HIS 82 15.024 21.779 -30.479 694 H HIS 83 H HIS 83 20.998 17.718 -31.943 695 HA HIS 83 HA HIS 83 22.055 20.386 -31.206 696 HB2 HIS 83 2HB HIS 83 23.473 17.919 -32.326 697 HB3 HIS 83 3HB HIS 83 24.265 19.438 -31.918 698 HD1 HIS 83 HD1 HIS 83 25.355 19.385 -29.660 699 HD2 HIS 83 HD2 HIS 83 22.128 16.781 -29.852 700 HE1 HIS 83 HE1 HIS 83 25.278 18.226 -27.438 701 HE2 HIS 83 HE2 HIS 83 23.481 16.504 -27.688 702 H HIS 84 H HIS 84 23.632 21.180 -33.125 703 HA HIS 84 HA HIS 84 22.066 21.226 -35.615 704 HB2 HIS 84 2HB HIS 84 24.358 22.972 -34.617 705 HB3 HIS 84 3HB HIS 84 23.785 23.040 -36.280 706 HD1 HIS 84 HD1 HIS 84 21.578 24.230 -36.729 707 HD2 HIS 84 HD2 HIS 84 22.546 24.066 -32.694 708 HE1 HIS 84 HE1 HIS 84 19.977 25.780 -35.589 709 HE2 HIS 84 HE2 HIS 84 20.656 25.758 -33.174 Start of MODEL 9 1 H1 MET 1 1H MET 1 -2.015 11.314 -15.817 2 H2 MET 1 2H MET 1 -2.304 12.979 -15.816 3 H3 MET 1 3H MET 1 -1.509 12.258 -14.511 4 HA MET 1 HA MET 1 -0.500 12.410 -17.287 5 HB2 MET 1 2HB MET 1 1.061 14.096 -16.548 6 HB3 MET 1 3HB MET 1 -0.547 14.605 -16.061 7 HG2 MET 1 2HG MET 1 1.576 13.413 -14.267 8 HG3 MET 1 3HG MET 1 1.047 15.096 -14.311 9 HE1 MET 1 3HE MET 1 -0.252 13.805 -10.826 10 HE2 MET 1 1HE MET 1 0.788 14.965 -11.650 11 HE3 MET 1 2HE MET 1 1.219 13.256 -11.630 12 H GLY 2 H GLY 2 -0.129 11.174 -14.028 13 HA2 GLY 2 2HA GLY 2 1.716 9.117 -14.958 14 HA3 GLY 2 3HA GLY 2 2.318 10.199 -13.701 15 H GLN 3 H GLN 3 1.010 7.243 -14.091 16 HA GLN 3 HA GLN 3 -0.994 7.087 -12.077 17 HB2 GLN 3 2HB GLN 3 -0.742 5.329 -13.798 18 HB3 GLN 3 3HB GLN 3 0.851 4.917 -13.172 19 HG2 GLN 3 2HG GLN 3 -0.259 4.262 -10.999 20 HG3 GLN 3 3HG GLN 3 -1.820 4.512 -11.781 21 HE21 GLN 3 1HE2 GLN 3 1.068 2.530 -11.696 22 HE22 GLN 3 2HE2 GLN 3 0.405 1.188 -12.559 23 H TRP 4 H TRP 4 -0.780 7.084 -9.933 24 HA TRP 4 HA TRP 4 1.832 7.368 -8.701 25 HB2 TRP 4 2HB TRP 4 -0.929 7.449 -7.407 26 HB3 TRP 4 3HB TRP 4 0.575 8.032 -6.702 27 HD1 TRP 4 HD1 TRP 4 1.395 10.476 -7.432 28 HE1 TRP 4 HE1 TRP 4 0.300 12.374 -8.773 29 HE3 TRP 4 HE3 TRP 4 -2.573 7.911 -9.431 30 HZ2 TRP 4 HZ2 TRP 4 -1.926 12.744 -10.448 31 HZ3 TRP 4 HZ3 TRP 4 -4.138 9.120 -10.899 32 HH2 TRP 4 HH2 TRP 4 -3.818 11.495 -11.396 33 H GLN 5 H GLN 5 2.892 5.723 -7.801 34 HA GLN 5 HA GLN 5 1.488 3.191 -7.143 35 HB2 GLN 5 2HB GLN 5 2.707 2.897 -9.226 36 HB3 GLN 5 3HB GLN 5 4.155 3.629 -8.546 37 HG2 GLN 5 2HG GLN 5 4.462 1.722 -7.054 38 HG3 GLN 5 3HG GLN 5 2.971 0.987 -7.648 39 HE21 GLN 5 1HE2 GLN 5 6.274 1.827 -8.452 40 HE22 GLN 5 2HE2 GLN 5 6.411 0.796 -9.831 41 H ILE 6 H ILE 6 1.612 2.797 -5.078 42 HA ILE 6 HA ILE 6 3.579 4.051 -3.289 43 HB ILE 6 HB ILE 6 1.005 2.521 -2.631 44 HG12 ILE 6 2HG1 ILE 6 1.367 5.551 -2.777 45 HG13 ILE 6 3HG1 ILE 6 0.581 4.581 -4.013 46 HG21 ILE 6 1HG2 ILE 6 2.573 2.615 -0.726 47 HG22 ILE 6 2HG2 ILE 6 1.134 3.590 -0.411 48 HG23 ILE 6 3HG2 ILE 6 2.646 4.377 -0.863 49 HD11 ILE 6 3HD1 ILE 6 -1.029 5.687 -2.596 50 HD12 ILE 6 1HD1 ILE 6 -0.373 4.889 -1.167 51 HD13 ILE 6 2HD1 ILE 6 -1.154 3.938 -2.436 52 H LYS 7 H LYS 7 5.118 2.805 -2.296 53 HA LYS 7 HA LYS 7 5.023 -0.151 -2.507 54 HB2 LYS 7 2HB LYS 7 7.419 1.739 -2.735 55 HB3 LYS 7 3HB LYS 7 7.581 -0.004 -2.525 56 HG2 LYS 7 2HG LYS 7 6.431 -0.399 -4.656 57 HG3 LYS 7 3HG LYS 7 6.191 1.341 -4.867 58 HD2 LYS 7 2HD LYS 7 8.614 1.698 -5.018 59 HD3 LYS 7 3HD LYS 7 8.919 -0.013 -4.698 60 HE2 LYS 7 2HE LYS 7 7.421 1.055 -7.120 61 HE3 LYS 7 3HE LYS 7 9.119 0.583 -7.111 62 HZ1 LYS 7 3HZ LYS 7 8.447 -1.668 -6.503 63 HZ2 LYS 7 1HZ LYS 7 7.740 -1.188 -7.964 64 HZ3 LYS 7 2HZ LYS 7 6.821 -1.209 -6.549 65 H ILE 8 H ILE 8 4.606 -0.900 -0.570 66 HA ILE 8 HA ILE 8 5.346 0.540 1.891 67 HB ILE 8 HB ILE 8 3.491 -1.865 1.463 68 HG12 ILE 8 2HG1 ILE 8 2.700 1.052 1.904 69 HG13 ILE 8 3HG1 ILE 8 2.651 0.224 0.352 70 HG21 ILE 8 1HG2 ILE 8 3.845 -0.134 3.930 71 HG22 ILE 8 2HG2 ILE 8 4.386 -1.804 3.748 72 HG23 ILE 8 3HG2 ILE 8 2.662 -1.431 3.743 73 HD11 ILE 8 3HD1 ILE 8 0.994 -0.483 2.777 74 HD12 ILE 8 1HD1 ILE 8 0.965 -1.316 1.218 75 HD13 ILE 8 2HD1 ILE 8 0.452 0.365 1.329 76 H TYR 9 H TYR 9 7.120 -0.165 2.939 77 HA TYR 9 HA TYR 9 8.099 -2.957 2.667 78 HB2 TYR 9 2HB TYR 9 9.744 -0.429 3.235 79 HB3 TYR 9 3HB TYR 9 10.381 -2.057 3.057 80 HD1 TYR 9 HD2 TYR 9 9.995 -3.202 0.721 81 HD2 TYR 9 HD1 TYR 9 9.738 1.021 1.355 82 HE1 TYR 9 HE2 TYR 9 10.390 -2.819 -1.673 83 HE2 TYR 9 HE1 TYR 9 10.137 1.400 -1.050 84 HH TYR 9 HH TYR 9 11.129 0.262 -2.967 85 H SER 10 H SER 10 7.563 -3.973 4.571 86 HA SER 10 HA SER 10 8.451 -2.711 7.069 87 HB2 SER 10 2HB SER 10 6.009 -2.256 7.000 88 HB3 SER 10 3HB SER 10 5.686 -3.982 6.808 89 HG SER 10 HG SER 10 6.109 -2.595 9.055 90 H GLU 11 H GLU 11 9.066 -4.115 8.634 91 HA GLU 11 HA GLU 11 9.910 -6.760 7.788 92 HB2 GLU 11 2HB GLU 11 11.354 -5.073 9.019 93 HB3 GLU 11 3HB GLU 11 10.356 -5.329 10.441 94 HG2 GLU 11 2HG GLU 11 11.082 -7.632 10.607 95 HG3 GLU 11 3HG GLU 11 11.941 -7.524 9.071 96 H ASN 12 H ASN 12 7.209 -5.418 9.368 97 HA ASN 12 HA ASN 12 6.492 -7.943 10.739 98 HB2 ASN 12 2HB ASN 12 6.437 -5.956 12.202 99 HB3 ASN 12 3HB ASN 12 5.324 -5.149 11.104 100 HD21 ASN 12 1HD2 ASN 12 3.791 -4.944 12.831 101 HD22 ASN 12 2HD2 ASN 12 2.867 -6.291 13.390 102 H GLU 13 H GLU 13 4.757 -9.071 10.142 103 HA GLU 13 HA GLU 13 3.682 -8.826 7.519 104 HB2 GLU 13 2HB GLU 13 2.363 -10.871 8.186 105 HB3 GLU 13 3HB GLU 13 4.103 -11.012 8.416 106 HG2 GLU 13 2HG GLU 13 3.789 -10.532 10.846 107 HG3 GLU 13 3HG GLU 13 2.046 -10.501 10.587 108 H ARG 14 H ARG 14 2.400 -8.095 10.756 109 HA ARG 14 HA ARG 14 -0.330 -7.913 10.187 110 HB2 ARG 14 2HB ARG 14 1.396 -6.575 12.290 111 HB3 ARG 14 3HB ARG 14 -0.307 -6.166 12.164 112 HG2 ARG 14 2HG ARG 14 0.776 -8.947 12.683 113 HG3 ARG 14 3HG ARG 14 0.140 -7.837 13.898 114 HD2 ARG 14 2HD ARG 14 -1.396 -9.142 11.635 115 HD3 ARG 14 3HD ARG 14 -1.600 -9.412 13.365 116 HE ARG 14 HE ARG 14 -2.298 -6.887 11.964 117 HH11 ARG 14 1HH1 ARG 14 -2.984 -9.186 14.572 118 HH12 ARG 14 2HH1 ARG 14 -4.374 -8.305 15.125 119 HH21 ARG 14 1HH2 ARG 14 -4.159 -5.786 12.695 120 HH22 ARG 14 2HH2 ARG 14 -5.032 -6.397 14.070 121 H GLU 15 H GLU 15 2.222 -5.491 9.785 122 HA GLU 15 HA GLU 15 0.687 -3.186 9.399 123 HB2 GLU 15 2HB GLU 15 3.295 -3.761 7.948 124 HB3 GLU 15 3HB GLU 15 2.660 -2.194 8.426 125 HG2 GLU 15 2HG GLU 15 3.733 -4.356 10.243 126 HG3 GLU 15 3HG GLU 15 4.516 -2.829 9.856 127 H PHE 16 H PHE 16 1.741 -5.647 7.107 128 HA PHE 16 HA PHE 16 0.586 -4.521 4.749 129 HB2 PHE 16 2HB PHE 16 1.735 -7.245 5.473 130 HB3 PHE 16 3HB PHE 16 0.939 -6.991 3.922 131 HD1 PHE 16 HD2 PHE 16 3.252 -4.697 5.836 132 HD2 PHE 16 HD1 PHE 16 2.641 -7.081 2.333 133 HE1 PHE 16 HE2 PHE 16 5.328 -3.815 4.856 134 HE2 PHE 16 HE1 PHE 16 4.707 -6.181 1.383 135 HZ PHE 16 HZ PHE 16 6.048 -4.545 2.629 136 H ARG 17 H ARG 17 -0.471 -6.868 7.187 137 HA ARG 17 HA ARG 17 -2.652 -7.962 5.807 138 HB2 ARG 17 2HB ARG 17 -2.202 -7.707 8.815 139 HB3 ARG 17 3HB ARG 17 -3.522 -8.621 8.096 140 HG2 ARG 17 2HG ARG 17 -0.563 -9.218 7.942 141 HG3 ARG 17 3HG ARG 17 -1.838 -10.185 8.682 142 HD2 ARG 17 2HD ARG 17 -1.352 -9.734 5.727 143 HD3 ARG 17 3HD ARG 17 -1.221 -11.244 6.630 144 HE ARG 17 HE ARG 17 -3.862 -9.969 6.543 145 HH11 ARG 17 1HH1 ARG 17 -1.785 -12.551 5.320 146 HH12 ARG 17 2HH1 ARG 17 -3.114 -13.453 4.665 147 HH21 ARG 17 1HH2 ARG 17 -5.570 -11.125 5.571 148 HH22 ARG 17 2HH2 ARG 17 -5.243 -12.648 4.807 149 H GLU 18 H GLU 18 -2.442 -5.144 7.971 150 HA GLU 18 HA GLU 18 -5.138 -4.563 8.289 151 HB2 GLU 18 2HB GLU 18 -2.958 -2.451 7.967 152 HB3 GLU 18 3HB GLU 18 -4.467 -2.284 8.853 153 HG2 GLU 18 2HG GLU 18 -2.025 -3.902 9.611 154 HG3 GLU 18 3HG GLU 18 -2.724 -2.537 10.468 155 H LEU 19 H LEU 19 -2.862 -3.345 5.836 156 HA LEU 19 HA LEU 19 -4.678 -1.831 4.333 157 HB2 LEU 19 2HB LEU 19 -1.932 -2.967 3.724 158 HB3 LEU 19 3HB LEU 19 -2.851 -2.185 2.453 159 HG LEU 19 HG LEU 19 -1.219 -0.636 3.449 160 HD11 LEU 19 1HD1 LEU 19 -3.266 0.322 2.515 161 HD12 LEU 19 2HD1 LEU 19 -2.698 1.275 3.883 162 HD13 LEU 19 3HD1 LEU 19 -4.076 0.189 4.081 163 HD21 LEU 19 3HD2 LEU 19 -2.708 -0.991 6.075 164 HD22 LEU 19 1HD2 LEU 19 -1.421 0.180 5.762 165 HD23 LEU 19 2HD2 LEU 19 -1.074 -1.545 5.710 166 H ILE 20 H ILE 20 -3.484 -5.189 3.753 167 HA ILE 20 HA ILE 20 -4.708 -5.641 1.280 168 HB ILE 20 HB ILE 20 -3.948 -7.627 3.472 169 HG12 ILE 20 2HG1 ILE 20 -2.063 -6.396 2.385 170 HG13 ILE 20 3HG1 ILE 20 -1.991 -8.123 2.073 171 HG21 ILE 20 1HG2 ILE 20 -5.691 -8.718 2.144 172 HG22 ILE 20 2HG2 ILE 20 -4.128 -9.450 1.786 173 HG23 ILE 20 3HG2 ILE 20 -4.852 -8.315 0.643 174 HD11 ILE 20 3HD1 ILE 20 -1.387 -6.838 0.115 175 HD12 ILE 20 1HD1 ILE 20 -2.943 -6.013 0.134 176 HD13 ILE 20 2HD1 ILE 20 -2.865 -7.748 -0.190 177 H GLU 21 H GLU 21 -5.995 -6.331 4.563 178 HA GLU 21 HA GLU 21 -8.455 -7.480 3.790 179 HB2 GLU 21 2HB GLU 21 -7.892 -5.875 6.316 180 HB3 GLU 21 3HB GLU 21 -9.223 -6.994 6.090 181 HG2 GLU 21 2HG GLU 21 -6.290 -7.728 6.187 182 HG3 GLU 21 3HG GLU 21 -7.429 -7.902 7.512 183 H ARG 22 H ARG 22 -7.548 -4.092 4.564 184 HA ARG 22 HA ARG 22 -10.110 -2.929 4.370 185 HB2 ARG 22 2HB ARG 22 -7.456 -1.548 3.780 186 HB3 ARG 22 3HB ARG 22 -8.981 -0.747 4.107 187 HG2 ARG 22 2HG ARG 22 -7.344 -2.350 6.078 188 HG3 ARG 22 3HG ARG 22 -7.489 -0.605 6.017 189 HD2 ARG 22 2HD ARG 22 -8.896 -1.211 7.777 190 HD3 ARG 22 3HD ARG 22 -10.011 -1.002 6.433 191 HE ARG 22 HE ARG 22 -10.532 -3.240 6.523 192 HH11 ARG 22 1HH1 ARG 22 -7.637 -2.776 8.519 193 HH12 ARG 22 2HH1 ARG 22 -7.726 -4.366 9.202 194 HH21 ARG 22 1HH2 ARG 22 -10.659 -5.286 7.552 195 HH22 ARG 22 2HH2 ARG 22 -9.421 -5.769 8.659 196 H LEU 23 H LEU 23 -7.558 -3.345 1.894 197 HA LEU 23 HA LEU 23 -8.607 -1.723 -0.152 198 HB2 LEU 23 2HB LEU 23 -6.810 -4.178 -0.397 199 HB3 LEU 23 3HB LEU 23 -7.096 -3.031 -1.695 200 HG LEU 23 HG LEU 23 -5.723 -2.357 0.936 201 HD11 LEU 23 1HD1 LEU 23 -4.461 -2.817 -1.782 202 HD12 LEU 23 2HD1 LEU 23 -4.350 -3.886 -0.381 203 HD13 LEU 23 3HD1 LEU 23 -3.627 -2.282 -0.318 204 HD21 LEU 23 3HD2 LEU 23 -6.828 -0.402 -0.014 205 HD22 LEU 23 1HD2 LEU 23 -6.020 -0.666 -1.562 206 HD23 LEU 23 2HD2 LEU 23 -5.079 -0.244 -0.129 207 H GLU 24 H GLU 24 -9.225 -5.083 0.679 208 HA GLU 24 HA GLU 24 -10.845 -5.762 -1.585 209 HB2 GLU 24 2HB GLU 24 -10.731 -7.004 1.200 210 HB3 GLU 24 3HB GLU 24 -11.529 -7.721 -0.199 211 HG2 GLU 24 2HG GLU 24 -9.345 -7.894 -1.356 212 HG3 GLU 24 3HG GLU 24 -8.554 -7.175 0.044 213 H GLU 25 H GLU 25 -11.490 -4.555 1.682 214 HA GLU 25 HA GLU 25 -14.349 -4.680 1.570 215 HB2 GLU 25 2HB GLU 25 -12.439 -3.236 3.452 216 HB3 GLU 25 3HB GLU 25 -14.185 -3.294 3.693 217 HG2 GLU 25 2HG GLU 25 -14.109 -5.722 3.945 218 HG3 GLU 25 3HG GLU 25 -12.382 -5.729 3.587 219 H GLU 26 H GLU 26 -11.999 -2.284 0.596 220 HA GLU 26 HA GLU 26 -13.784 -0.024 0.720 221 HB2 GLU 26 2HB GLU 26 -11.099 -0.271 -0.722 222 HB3 GLU 26 3HB GLU 26 -12.016 1.221 -0.539 223 HG2 GLU 26 2HG GLU 26 -10.542 -0.347 1.578 224 HG3 GLU 26 3HG GLU 26 -10.323 1.331 1.101 225 H ARG 27 H ARG 27 -14.594 1.140 -1.032 226 HA ARG 27 HA ARG 27 -15.285 -0.445 -3.409 227 HB2 ARG 27 2HB ARG 27 -16.576 2.062 -2.236 228 HB3 ARG 27 3HB ARG 27 -17.144 1.208 -3.666 229 HG2 ARG 27 2HG ARG 27 -17.100 0.140 -0.823 230 HG3 ARG 27 3HG ARG 27 -18.527 0.623 -1.744 231 HD2 ARG 27 2HD ARG 27 -17.976 -1.203 -3.398 232 HD3 ARG 27 3HD ARG 27 -16.690 -1.729 -2.311 233 HE ARG 27 HE ARG 27 -18.909 -1.745 -0.732 234 HH11 ARG 27 1HH1 ARG 27 -18.132 -3.243 -3.842 235 HH12 ARG 27 2HH1 ARG 27 -19.175 -4.604 -3.578 236 HH21 ARG 27 1HH2 ARG 27 -20.294 -3.563 -0.425 237 HH22 ARG 27 2HH2 ARG 27 -20.391 -4.783 -1.654 238 HA PRO 28 HA PRO 28 -15.519 -0.511 -5.377 239 HB2 PRO 28 2HB PRO 28 -14.829 -0.427 -7.953 240 HB3 PRO 28 3HB PRO 28 -15.796 0.896 -7.271 241 HG2 PRO 28 2HG PRO 28 -12.909 0.879 -8.010 242 HG3 PRO 28 3HG PRO 28 -14.075 2.217 -8.050 243 HD2 PRO 28 2HD PRO 28 -12.195 1.587 -5.942 244 HD3 PRO 28 3HD PRO 28 -13.382 2.911 -5.981 245 H SER 29 H SER 29 -12.986 -0.761 -3.945 246 HA SER 29 HA SER 29 -11.384 -2.215 -3.417 247 HB2 SER 29 2HB SER 29 -12.822 -4.080 -4.200 248 HB3 SER 29 3HB SER 29 -12.154 -3.915 -5.822 249 HG SER 29 HG SER 29 -10.568 -4.427 -3.511 250 H VAL 30 H VAL 30 -9.275 -1.890 -3.613 251 HA VAL 30 HA VAL 30 -8.335 -0.315 -5.879 252 HB VAL 30 HB VAL 30 -6.822 -0.948 -3.304 253 HG11 VAL 30 1HG1 VAL 30 -5.510 1.056 -3.807 254 HG12 VAL 30 2HG1 VAL 30 -6.461 1.353 -5.262 255 HG13 VAL 30 3HG1 VAL 30 -5.430 -0.075 -5.157 256 HG21 VAL 30 3HG2 VAL 30 -8.968 0.094 -2.690 257 HG22 VAL 30 1HG2 VAL 30 -8.649 1.440 -3.788 258 HG23 VAL 30 2HG2 VAL 30 -7.623 1.188 -2.373 259 H GLN 31 H GLN 31 -6.399 -0.798 -7.009 260 HA GLN 31 HA GLN 31 -5.786 -3.595 -7.435 261 HB2 GLN 31 2HB GLN 31 -4.472 -1.103 -8.607 262 HB3 GLN 31 3HB GLN 31 -4.333 -2.746 -9.232 263 HG2 GLN 31 2HG GLN 31 -6.676 -2.763 -9.870 264 HG3 GLN 31 3HG GLN 31 -6.946 -1.205 -9.094 265 HE21 GLN 31 1HE2 GLN 31 -7.420 -1.982 -11.860 266 HE22 GLN 31 2HE2 GLN 31 -6.493 -0.893 -12.826 267 H TYR 32 H TYR 32 -4.024 -4.669 -6.656 268 HA TYR 32 HA TYR 32 -1.747 -3.294 -5.459 269 HB2 TYR 32 2HB TYR 32 -1.947 -4.582 -3.298 270 HB3 TYR 32 3HB TYR 32 -3.194 -3.366 -3.520 271 HD1 TYR 32 HD1 TYR 32 -5.547 -4.041 -3.933 272 HD2 TYR 32 HD2 TYR 32 -2.547 -6.994 -3.190 273 HE1 TYR 32 HE1 TYR 32 -7.301 -5.704 -3.500 274 HE2 TYR 32 HE2 TYR 32 -4.310 -8.665 -2.755 275 HH TYR 32 HH TYR 32 -7.592 -8.130 -3.529 276 H THR 33 H THR 33 -0.021 -4.768 -4.887 277 HA THR 33 HA THR 33 -0.022 -7.437 -6.097 278 HB THR 33 HB THR 33 1.942 -5.213 -6.906 279 HG1 THR 33 HG1 THR 33 -0.289 -6.386 -8.166 280 HG21 THR 33 3HG2 THR 33 1.865 -8.131 -7.772 281 HG22 THR 33 1HG2 THR 33 3.127 -7.362 -6.804 282 HG23 THR 33 2HG2 THR 33 2.890 -6.886 -8.487 283 H GLU 34 H GLU 34 0.656 -8.624 -4.346 284 HA GLU 34 HA GLU 34 2.611 -7.565 -2.426 285 HB2 GLU 34 2HB GLU 34 0.524 -8.969 -1.778 286 HB3 GLU 34 3HB GLU 34 1.373 -10.362 -2.417 287 HG2 GLU 34 2HG GLU 34 2.395 -8.635 -0.138 288 HG3 GLU 34 3HG GLU 34 1.476 -10.113 0.086 289 H THR 35 H THR 35 4.728 -8.053 -2.539 290 HA THR 35 HA THR 35 5.724 -10.193 -4.305 291 HB THR 35 HB THR 35 6.671 -7.275 -4.385 292 HG1 THR 35 HG1 THR 35 4.741 -8.546 -5.731 293 HG21 THR 35 3HG2 THR 35 8.192 -7.980 -6.188 294 HG22 THR 35 1HG2 THR 35 7.667 -9.655 -6.004 295 HG23 THR 35 2HG2 THR 35 8.564 -8.862 -4.707 296 H THR 36 H THR 36 6.842 -11.438 -2.911 297 HA THR 36 HA THR 36 8.304 -10.297 -0.640 298 HB THR 36 HB THR 36 8.138 -13.222 -1.499 299 HG1 THR 36 HG1 THR 36 6.169 -11.601 -0.574 300 HG21 THR 36 3HG2 THR 36 8.581 -13.668 0.904 301 HG22 THR 36 1HG2 THR 36 8.714 -11.935 1.210 302 HG23 THR 36 2HG2 THR 36 9.902 -12.748 0.184 303 H ARG 37 H ARG 37 10.082 -9.279 -1.367 304 HA ARG 37 HA ARG 37 11.953 -10.616 -3.251 305 HB2 ARG 37 2HB ARG 37 10.705 -8.657 -4.224 306 HB3 ARG 37 3HB ARG 37 11.391 -7.632 -2.969 307 HG2 ARG 37 2HG ARG 37 13.657 -8.071 -3.853 308 HG3 ARG 37 3HG ARG 37 12.960 -9.093 -5.111 309 HD2 ARG 37 2HD ARG 37 11.683 -7.116 -5.952 310 HD3 ARG 37 3HD ARG 37 12.491 -6.113 -4.741 311 HE ARG 37 HE ARG 37 14.172 -7.614 -6.615 312 HH11 ARG 37 1HH1 ARG 37 12.814 -4.478 -5.713 313 HH12 ARG 37 2HH1 ARG 37 13.933 -3.588 -6.695 314 HH21 ARG 37 1HH2 ARG 37 15.590 -6.417 -7.931 315 HH22 ARG 37 2HH2 ARG 37 15.499 -4.685 -7.946 316 H ASN 38 H ASN 38 14.032 -10.756 -2.601 317 HA ASN 38 HA ASN 38 15.962 -10.649 -1.419 318 HB2 ASN 38 2HB ASN 38 15.004 -7.934 -0.400 319 HB3 ASN 38 3HB ASN 38 16.662 -8.515 -0.439 320 HD21 ASN 38 1HD2 ASN 38 16.391 -9.640 -3.160 321 HD22 ASN 38 2HD2 ASN 38 16.391 -8.288 -4.226 322 H GLY 39 H GLY 39 13.556 -11.833 -0.259 323 HA2 GLY 39 2HA GLY 39 13.121 -13.060 1.647 324 HA3 GLY 39 3HA GLY 39 14.461 -12.264 2.455 325 H ARG 40 H ARG 40 12.595 -9.851 1.177 326 HA ARG 40 HA ARG 40 11.031 -9.486 3.669 327 HB2 ARG 40 2HB ARG 40 12.463 -7.399 1.954 328 HB3 ARG 40 3HB ARG 40 11.321 -6.995 3.234 329 HG2 ARG 40 2HG ARG 40 12.794 -8.126 4.880 330 HG3 ARG 40 3HG ARG 40 13.954 -8.456 3.595 331 HD2 ARG 40 2HD ARG 40 14.352 -6.073 3.279 332 HD3 ARG 40 3HD ARG 40 13.068 -5.671 4.429 333 HE ARG 40 HE ARG 40 15.195 -7.325 5.506 334 HH11 ARG 40 1HH1 ARG 40 14.101 -4.024 4.975 335 HH12 ARG 40 2HH1 ARG 40 15.089 -3.355 6.229 336 HH21 ARG 40 1HH2 ARG 40 16.492 -6.438 7.188 337 HH22 ARG 40 2HH2 ARG 40 16.449 -4.731 7.489 338 H ARG 41 H ARG 41 8.955 -8.639 3.500 339 HA ARG 41 HA ARG 41 7.520 -9.037 1.035 340 HB2 ARG 41 2HB ARG 41 6.535 -7.736 3.619 341 HB3 ARG 41 3HB ARG 41 5.536 -8.412 2.341 342 HG2 ARG 41 2HG ARG 41 7.383 -10.014 4.130 343 HG3 ARG 41 3HG ARG 41 5.649 -9.827 4.376 344 HD2 ARG 41 2HD ARG 41 5.189 -10.987 2.279 345 HD3 ARG 41 3HD ARG 41 6.920 -11.093 1.925 346 HE ARG 41 HE ARG 41 6.607 -12.273 4.384 347 HH11 ARG 41 1HH1 ARG 41 5.316 -12.903 1.165 348 HH12 ARG 41 2HH1 ARG 41 5.153 -14.609 1.442 349 HH21 ARG 41 1HH2 ARG 41 6.422 -14.522 4.712 350 HH22 ARG 41 2HH2 ARG 41 5.780 -15.519 3.445 351 H GLN 42 H GLN 42 6.701 -7.428 -0.364 352 HA GLN 42 HA GLN 42 6.695 -4.638 0.523 353 HB2 GLN 42 2HB GLN 42 7.591 -3.755 -1.580 354 HB3 GLN 42 3HB GLN 42 8.774 -4.779 -0.783 355 HG2 GLN 42 2HG GLN 42 8.353 -6.571 -2.373 356 HG3 GLN 42 3HG GLN 42 7.049 -5.644 -3.112 357 HE21 GLN 42 1HE2 GLN 42 7.562 -3.838 -4.383 358 HE22 GLN 42 2HE2 GLN 42 9.130 -3.631 -5.071 359 H LEU 43 H LEU 43 4.821 -3.677 0.096 360 HA LEU 43 HA LEU 43 2.792 -5.096 -1.521 361 HB2 LEU 43 2HB LEU 43 2.654 -4.316 1.103 362 HB3 LEU 43 3HB LEU 43 2.019 -2.869 0.359 363 HG LEU 43 HG LEU 43 0.843 -5.671 0.240 364 HD11 LEU 43 1HD1 LEU 43 -1.066 -4.655 1.418 365 HD12 LEU 43 2HD1 LEU 43 -0.211 -3.111 1.483 366 HD13 LEU 43 3HD1 LEU 43 0.432 -4.517 2.337 367 HD21 LEU 43 3HD2 LEU 43 -1.030 -4.734 -1.069 368 HD22 LEU 43 1HD2 LEU 43 0.495 -4.690 -1.953 369 HD23 LEU 43 2HD2 LEU 43 -0.149 -3.213 -1.234 370 H THR 44 H THR 44 2.730 -4.241 -3.514 371 HA THR 44 HA THR 44 3.243 -1.383 -3.973 372 HB THR 44 HB THR 44 3.074 -3.719 -5.941 373 HG1 THR 44 HG1 THR 44 4.909 -3.566 -4.342 374 HG21 THR 44 3HG2 THR 44 4.105 -2.174 -7.562 375 HG22 THR 44 1HG2 THR 44 4.056 -0.872 -6.373 376 HG23 THR 44 2HG2 THR 44 2.552 -1.539 -7.016 377 H ILE 45 H ILE 45 1.375 -0.304 -3.615 378 HA ILE 45 HA ILE 45 -1.221 -1.275 -4.644 379 HB ILE 45 HB ILE 45 -0.605 1.065 -2.757 380 HG12 ILE 45 2HG1 ILE 45 -1.726 -1.705 -2.125 381 HG13 ILE 45 3HG1 ILE 45 -0.122 -1.123 -1.701 382 HG21 ILE 45 1HG2 ILE 45 -3.042 1.149 -2.345 383 HG22 ILE 45 2HG2 ILE 45 -3.292 -0.118 -3.545 384 HG23 ILE 45 3HG2 ILE 45 -2.668 1.456 -4.043 385 HD11 ILE 45 3HD1 ILE 45 -1.568 -1.103 0.219 386 HD12 ILE 45 1HD1 ILE 45 -2.734 -0.070 -0.611 387 HD13 ILE 45 2HD1 ILE 45 -1.126 0.547 -0.215 388 H ARG 46 H ARG 46 -1.996 -0.421 -6.488 389 HA ARG 46 HA ARG 46 -1.073 2.238 -7.440 390 HB2 ARG 46 2HB ARG 46 -1.747 -0.173 -9.200 391 HB3 ARG 46 3HB ARG 46 -1.171 1.398 -9.757 392 HG2 ARG 46 2HG ARG 46 1.004 0.996 -8.668 393 HG3 ARG 46 3HG ARG 46 0.423 -0.560 -8.068 394 HD2 ARG 46 2HD ARG 46 0.877 0.231 -10.962 395 HD3 ARG 46 3HD ARG 46 1.783 -0.959 -10.028 396 HE ARG 46 HE ARG 46 -0.869 -1.272 -11.213 397 HH11 ARG 46 1HH1 ARG 46 1.632 -2.743 -9.211 398 HH12 ARG 46 2HH1 ARG 46 0.975 -4.340 -9.364 399 HH21 ARG 46 1HH2 ARG 46 -1.730 -3.353 -11.368 400 HH22 ARG 46 2HH2 ARG 46 -0.932 -4.685 -10.588 401 H SER 47 H SER 47 -2.682 3.524 -8.360 402 HA SER 47 HA SER 47 -5.347 2.420 -8.861 403 HB2 SER 47 2HB SER 47 -5.611 3.257 -6.576 404 HB3 SER 47 3HB SER 47 -4.851 4.784 -7.006 405 HG SER 47 HG SER 47 -7.430 4.069 -7.215 406 H ASN 48 H ASN 48 -6.615 3.753 -10.196 407 HA ASN 48 HA ASN 48 -5.073 5.218 -12.207 408 HB2 ASN 48 2HB ASN 48 -8.002 4.371 -12.246 409 HB3 ASN 48 3HB ASN 48 -7.043 4.913 -13.623 410 HD21 ASN 48 1HD2 ASN 48 -5.607 3.426 -14.600 411 HD22 ASN 48 2HD2 ASN 48 -5.605 1.745 -14.203 412 H ASP 49 H ASP 49 -6.574 6.044 -9.405 413 HA ASP 49 HA ASP 49 -7.384 8.729 -10.365 414 HB2 ASP 49 2HB ASP 49 -9.457 7.555 -9.905 415 HB3 ASP 49 3HB ASP 49 -8.865 6.971 -8.353 416 H LYS 50 H LYS 50 -6.745 10.426 -9.189 417 HA LYS 50 HA LYS 50 -4.518 10.245 -7.475 418 HB2 LYS 50 2HB LYS 50 -4.799 12.186 -8.903 419 HB3 LYS 50 3HB LYS 50 -6.354 12.574 -8.182 420 HG2 LYS 50 2HG LYS 50 -4.568 14.118 -7.444 421 HG3 LYS 50 3HG LYS 50 -5.274 13.231 -6.091 422 HD2 LYS 50 2HD LYS 50 -3.320 11.668 -6.145 423 HD3 LYS 50 3HD LYS 50 -2.605 12.637 -7.438 424 HE2 LYS 50 2HE LYS 50 -2.402 14.555 -5.954 425 HE3 LYS 50 3HE LYS 50 -3.295 13.712 -4.682 426 HZ1 LYS 50 3HZ LYS 50 -1.527 12.260 -4.304 427 HZ2 LYS 50 1HZ LYS 50 -0.787 13.765 -4.499 428 HZ3 LYS 50 2HZ LYS 50 -0.751 12.644 -5.760 429 H ASN 51 H ASN 51 -7.954 10.967 -6.792 430 HA ASN 51 HA ASN 51 -7.556 11.893 -4.133 431 HB2 ASN 51 2HB ASN 51 -10.122 10.711 -5.293 432 HB3 ASN 51 3HB ASN 51 -9.993 11.799 -3.912 433 HD21 ASN 51 1HD2 ASN 51 -9.925 11.535 -7.375 434 HD22 ASN 51 2HD2 ASN 51 -9.971 13.231 -7.715 435 H GLU 52 H GLU 52 -8.314 8.736 -5.501 436 HA GLU 52 HA GLU 52 -8.803 7.346 -3.055 437 HB2 GLU 52 2HB GLU 52 -9.611 6.563 -5.302 438 HB3 GLU 52 3HB GLU 52 -7.945 6.222 -5.760 439 HG2 GLU 52 2HG GLU 52 -7.799 4.564 -3.905 440 HG3 GLU 52 3HG GLU 52 -9.487 4.877 -3.511 441 H VAL 53 H VAL 53 -5.993 7.419 -5.312 442 HA VAL 53 HA VAL 53 -4.403 5.628 -3.795 443 HB VAL 53 HB VAL 53 -4.166 6.156 -6.278 444 HG11 VAL 53 1HG1 VAL 53 -4.098 8.608 -6.119 445 HG12 VAL 53 2HG1 VAL 53 -2.733 7.956 -7.024 446 HG13 VAL 53 3HG1 VAL 53 -2.508 8.507 -5.362 447 HG21 VAL 53 3HG2 VAL 53 -2.561 4.711 -5.117 448 HG22 VAL 53 1HG2 VAL 53 -1.605 6.119 -4.649 449 HG23 VAL 53 2HG2 VAL 53 -1.746 5.672 -6.353 450 H ASP 54 H ASP 54 -4.754 9.103 -3.671 451 HA ASP 54 HA ASP 54 -2.365 9.636 -2.141 452 HB2 ASP 54 2HB ASP 54 -3.403 11.326 -3.674 453 HB3 ASP 54 3HB ASP 54 -4.794 11.425 -2.602 454 H ARG 55 H ARG 55 -5.853 9.219 -1.462 455 HA ARG 55 HA ARG 55 -5.862 9.570 1.301 456 HB2 ARG 55 2HB ARG 55 -7.986 9.147 0.177 457 HB3 ARG 55 3HB ARG 55 -7.431 7.573 -0.389 458 HG2 ARG 55 2HG ARG 55 -7.263 6.879 2.066 459 HG3 ARG 55 3HG ARG 55 -8.104 8.374 2.462 460 HD2 ARG 55 2HD ARG 55 -10.104 7.648 1.397 461 HD3 ARG 55 3HD ARG 55 -9.266 6.350 0.536 462 HE ARG 55 HE ARG 55 -9.077 6.063 3.380 463 HH11 ARG 55 1HH1 ARG 55 -11.226 5.394 0.654 464 HH12 ARG 55 2HH1 ARG 55 -12.023 4.089 1.476 465 HH21 ARG 55 1HH2 ARG 55 -10.103 4.343 4.397 466 HH22 ARG 55 2HH2 ARG 55 -11.387 3.497 3.588 467 H ILE 56 H ILE 56 -5.170 6.623 -0.602 468 HA ILE 56 HA ILE 56 -4.660 4.844 1.515 469 HB ILE 56 HB ILE 56 -3.515 4.790 -1.323 470 HG12 ILE 56 2HG1 ILE 56 -6.004 3.327 -0.330 471 HG13 ILE 56 3HG1 ILE 56 -6.073 4.904 -1.105 472 HG21 ILE 56 1HG2 ILE 56 -3.802 2.508 0.670 473 HG22 ILE 56 2HG2 ILE 56 -2.287 3.248 0.144 474 HG23 ILE 56 3HG2 ILE 56 -3.274 2.348 -1.006 475 HD11 ILE 56 3HD1 ILE 56 -6.583 3.158 -2.681 476 HD12 ILE 56 1HD1 ILE 56 -5.037 2.368 -2.362 477 HD13 ILE 56 2HD1 ILE 56 -5.078 3.959 -3.126 478 H LEU 57 H LEU 57 -2.535 7.054 -0.263 479 HA LEU 57 HA LEU 57 -0.037 6.186 0.653 480 HB2 LEU 57 2HB LEU 57 -0.335 7.753 -1.255 481 HB3 LEU 57 3HB LEU 57 -0.856 9.005 -0.139 482 HG LEU 57 HG LEU 57 1.432 8.877 0.960 483 HD11 LEU 57 1HD1 LEU 57 3.279 7.830 -0.253 484 HD12 LEU 57 2HD1 LEU 57 2.124 7.103 -1.375 485 HD13 LEU 57 3HD1 LEU 57 2.095 6.667 0.338 486 HD21 LEU 57 3HD2 LEU 57 2.600 10.185 -0.744 487 HD22 LEU 57 1HD2 LEU 57 0.908 10.664 -0.620 488 HD23 LEU 57 2HD2 LEU 57 1.440 9.655 -1.967 489 H GLU 58 H GLU 58 -2.091 8.858 1.908 490 HA GLU 58 HA GLU 58 -0.413 9.329 4.186 491 HB2 GLU 58 2HB GLU 58 -2.215 10.798 5.006 492 HB3 GLU 58 3HB GLU 58 -1.812 11.139 3.325 493 HG2 GLU 58 2HG GLU 58 -3.812 10.034 2.546 494 HG3 GLU 58 3HG GLU 58 -4.182 9.441 4.164 495 H GLU 59 H GLU 59 -3.149 7.238 3.543 496 HA GLU 59 HA GLU 59 -4.045 6.898 6.236 497 HB2 GLU 59 2HB GLU 59 -5.561 6.621 4.336 498 HB3 GLU 59 3HB GLU 59 -4.624 5.263 3.724 499 HG2 GLU 59 2HG GLU 59 -5.297 3.891 5.621 500 HG3 GLU 59 3HG GLU 59 -6.085 5.267 6.385 501 H VAL 60 H VAL 60 -1.929 4.944 4.092 502 HA VAL 60 HA VAL 60 -1.547 2.776 5.890 503 HB VAL 60 HB VAL 60 -0.900 2.500 3.547 504 HG11 VAL 60 1HG1 VAL 60 1.306 4.524 4.001 505 HG12 VAL 60 2HG1 VAL 60 -0.140 4.767 3.022 506 HG13 VAL 60 3HG1 VAL 60 1.059 3.568 2.534 507 HG21 VAL 60 3HG2 VAL 60 1.551 2.268 5.332 508 HG22 VAL 60 1HG2 VAL 60 1.309 1.422 3.799 509 HG23 VAL 60 2HG2 VAL 60 0.267 1.071 5.178 510 H ARG 61 H ARG 61 0.082 5.874 5.511 511 HA ARG 61 HA ARG 61 2.145 5.506 7.444 512 HB2 ARG 61 2HB ARG 61 0.874 7.961 6.166 513 HB3 ARG 61 3HB ARG 61 2.250 8.066 7.255 514 HG2 ARG 61 2HG ARG 61 3.681 6.898 5.748 515 HG3 ARG 61 3HG ARG 61 2.330 6.373 4.741 516 HD2 ARG 61 2HD ARG 61 3.731 8.245 3.785 517 HD3 ARG 61 3HD ARG 61 2.000 8.574 3.881 518 HE ARG 61 HE ARG 61 3.380 9.546 6.180 519 HH11 ARG 61 1HH1 ARG 61 2.792 10.307 2.799 520 HH12 ARG 61 2HH1 ARG 61 2.997 12.014 3.021 521 HH21 ARG 61 1HH2 ARG 61 3.571 11.794 6.467 522 HH22 ARG 61 2HH2 ARG 61 3.442 12.860 5.103 523 H ARG 62 H ARG 62 -1.193 6.584 7.635 524 HA ARG 62 HA ARG 62 -1.047 7.552 10.384 525 HB2 ARG 62 2HB ARG 62 -3.304 7.304 8.356 526 HB3 ARG 62 3HB ARG 62 -3.571 7.874 10.000 527 HG2 ARG 62 2HG ARG 62 -2.205 9.833 9.634 528 HG3 ARG 62 3HG ARG 62 -1.651 9.230 8.069 529 HD2 ARG 62 2HD ARG 62 -3.427 11.022 7.930 530 HD3 ARG 62 3HD ARG 62 -3.834 9.518 7.094 531 HE ARG 62 HE ARG 62 -4.806 9.750 9.825 532 HH11 ARG 62 1HH1 ARG 62 -5.623 10.249 6.415 533 HH12 ARG 62 2HH1 ARG 62 -7.333 10.207 6.716 534 HH21 ARG 62 1HH2 ARG 62 -7.022 9.658 10.171 535 HH22 ARG 62 2HH2 ARG 62 -8.124 9.873 8.847 536 H LYS 63 H LYS 63 -1.835 4.585 8.737 537 HA LYS 63 HA LYS 63 -3.568 3.529 10.861 538 HB2 LYS 63 2HB LYS 63 -4.014 3.179 8.346 539 HB3 LYS 63 3HB LYS 63 -2.618 2.111 8.320 540 HG2 LYS 63 2HG LYS 63 -4.565 0.729 8.486 541 HG3 LYS 63 3HG LYS 63 -3.782 0.690 10.069 542 HD2 LYS 63 2HD LYS 63 -6.196 0.918 10.356 543 HD3 LYS 63 3HD LYS 63 -5.414 2.410 10.880 544 HE2 LYS 63 2HE LYS 63 -5.988 3.458 8.702 545 HE3 LYS 63 3HE LYS 63 -6.774 1.963 8.189 546 HZ1 LYS 63 3HZ LYS 63 -7.598 3.627 10.511 547 HZ2 LYS 63 1HZ LYS 63 -8.362 2.220 9.977 548 HZ3 LYS 63 2HZ LYS 63 -8.358 3.599 9.001 549 H VAL 64 H VAL 64 -0.438 2.980 9.337 550 HA VAL 64 HA VAL 64 0.455 1.256 11.542 551 HB VAL 64 HB VAL 64 1.516 -0.323 9.801 552 HG11 VAL 64 1HG1 VAL 64 -0.513 -1.720 9.608 553 HG12 VAL 64 2HG1 VAL 64 -1.512 -0.337 10.063 554 HG13 VAL 64 3HG1 VAL 64 -0.361 -1.012 11.218 555 HG21 VAL 64 3HG2 VAL 64 1.184 1.039 7.772 556 HG22 VAL 64 1HG2 VAL 64 -0.566 0.902 7.944 557 HG23 VAL 64 2HG2 VAL 64 0.405 -0.534 7.596 558 HA PRO 65 HA PRO 65 3.672 4.479 10.630 559 HB2 PRO 65 2HB PRO 65 4.516 4.716 13.255 560 HB3 PRO 65 3HB PRO 65 3.114 5.584 12.599 561 HG2 PRO 65 2HG PRO 65 3.163 3.026 14.176 562 HG3 PRO 65 3HG PRO 65 2.121 4.454 14.386 563 HD2 PRO 65 2HD PRO 65 1.227 2.264 13.104 564 HD3 PRO 65 3HD PRO 65 0.757 3.895 12.570 565 H ASN 66 H ASN 66 3.900 1.185 11.285 566 HA ASN 66 HA ASN 66 6.870 1.227 11.377 567 HB2 ASN 66 2HB ASN 66 5.070 -1.233 11.483 568 HB3 ASN 66 3HB ASN 66 6.787 -1.154 11.854 569 HD21 ASN 66 1HD2 ASN 66 4.446 -2.079 13.452 570 HD22 ASN 66 2HD2 ASN 66 4.532 -1.181 14.927 571 H ALA 67 H ALA 67 4.654 1.599 9.073 572 HA ALA 67 HA ALA 67 5.824 -0.205 7.054 573 HB1 ALA 67 3HB ALA 67 3.370 -0.137 7.186 574 HB2 ALA 67 1HB ALA 67 3.923 0.508 5.641 575 HB3 ALA 67 2HB ALA 67 3.375 1.608 6.908 576 H ARG 68 H ARG 68 7.721 0.654 6.351 577 HA ARG 68 HA ARG 68 8.192 3.442 5.824 578 HB2 ARG 68 2HB ARG 68 10.069 1.987 6.386 579 HB3 ARG 68 3HB ARG 68 9.733 0.934 5.017 580 HG2 ARG 68 2HG ARG 68 11.668 2.337 4.532 581 HG3 ARG 68 3HG ARG 68 10.337 2.773 3.464 582 HD2 ARG 68 2HD ARG 68 9.820 4.719 4.930 583 HD3 ARG 68 3HD ARG 68 11.200 4.298 5.952 584 HE ARG 68 HE ARG 68 12.603 4.647 3.912 585 HH11 ARG 68 1HH1 ARG 68 9.517 6.361 4.182 586 HH12 ARG 68 2HH1 ARG 68 10.016 7.657 3.138 587 HH21 ARG 68 1HH2 ARG 68 13.230 6.351 2.560 588 HH22 ARG 68 2HH2 ARG 68 12.126 7.646 2.220 589 H VAL 69 H VAL 69 7.057 4.399 4.275 590 HA VAL 69 HA VAL 69 6.063 2.962 1.922 591 HB VAL 69 HB VAL 69 5.424 5.757 2.986 592 HG11 VAL 69 1HG1 VAL 69 3.446 5.689 1.521 593 HG12 VAL 69 2HG1 VAL 69 3.989 4.147 0.855 594 HG13 VAL 69 3HG1 VAL 69 4.945 5.608 0.590 595 HG21 VAL 69 3HG2 VAL 69 3.848 3.171 3.308 596 HG22 VAL 69 1HG2 VAL 69 3.330 4.770 3.850 597 HG23 VAL 69 2HG2 VAL 69 4.742 4.005 4.581 598 H ARG 70 H ARG 70 6.413 3.680 -0.191 599 HA ARG 70 HA ARG 70 8.482 5.705 -0.744 600 HB2 ARG 70 2HB ARG 70 9.727 3.612 -0.738 601 HB3 ARG 70 3HB ARG 70 8.488 2.800 -1.687 602 HG2 ARG 70 2HG ARG 70 10.370 3.242 -3.120 603 HG3 ARG 70 3HG ARG 70 9.048 4.291 -3.621 604 HD2 ARG 70 2HD ARG 70 10.191 6.088 -2.130 605 HD3 ARG 70 3HD ARG 70 11.594 5.018 -2.163 606 HE ARG 70 HE ARG 70 10.510 5.642 -4.774 607 HH11 ARG 70 1HH1 ARG 70 12.766 6.729 -2.278 608 HH12 ARG 70 2HH1 ARG 70 13.714 7.673 -3.383 609 HH21 ARG 70 1HH2 ARG 70 11.766 6.913 -6.193 610 HH22 ARG 70 2HH2 ARG 70 13.144 7.777 -5.594 611 H GLU 71 H GLU 71 7.826 7.006 -2.347 612 HA GLU 71 HA GLU 71 5.478 6.323 -3.977 613 HB2 GLU 71 2HB GLU 71 6.928 9.002 -3.699 614 HB3 GLU 71 3HB GLU 71 5.436 8.726 -4.595 615 HG2 GLU 71 2HG GLU 71 4.762 9.725 -2.557 616 HG3 GLU 71 3HG GLU 71 4.374 8.018 -2.386 617 H THR 72 H THR 72 5.651 5.852 -6.074 618 HA THR 72 HA THR 72 7.982 6.631 -7.705 619 HB THR 72 HB THR 72 7.899 4.281 -8.780 620 HG1 THR 72 HG1 THR 72 5.999 3.989 -6.804 621 HG21 THR 72 3HG2 THR 72 8.781 4.378 -5.866 622 HG22 THR 72 1HG2 THR 72 9.767 4.835 -7.256 623 HG23 THR 72 2HG2 THR 72 9.272 3.156 -7.038 624 H GLU 73 H GLU 73 7.097 7.784 -9.385 625 HA GLU 73 HA GLU 73 4.295 7.338 -10.131 626 HB2 GLU 73 2HB GLU 73 4.969 9.652 -9.696 627 HB3 GLU 73 3HB GLU 73 6.218 9.562 -10.934 628 HG2 GLU 73 2HG GLU 73 4.526 9.305 -12.681 629 HG3 GLU 73 3HG GLU 73 3.240 9.269 -11.480 630 H THR 74 H THR 74 3.922 5.884 -11.606 631 HA THR 74 HA THR 74 5.681 5.079 -13.731 632 HB THR 74 HB THR 74 2.683 4.546 -13.498 633 HG1 THR 74 HG1 THR 74 4.609 3.782 -11.783 634 HG21 THR 74 3HG2 THR 74 3.703 3.853 -15.647 635 HG22 THR 74 1HG2 THR 74 3.185 2.455 -14.700 636 HG23 THR 74 2HG2 THR 74 4.892 2.892 -14.767 637 H GLY 75 H GLY 75 5.628 5.838 -15.828 638 HA2 GLY 75 2HA GLY 75 4.465 7.027 -17.664 639 HA3 GLY 75 3HA GLY 75 3.911 8.197 -16.467 640 H SER 76 H SER 76 6.337 8.346 -14.977 641 HA SER 76 HA SER 76 7.913 10.143 -16.657 642 HB2 SER 76 2HB SER 76 8.045 9.487 -13.673 643 HB3 SER 76 3HB SER 76 9.069 10.680 -14.479 644 HG SER 76 HG SER 76 6.449 10.872 -13.695 645 H LEU 77 H LEU 77 8.041 6.859 -15.878 646 HA LEU 77 HA LEU 77 10.995 6.657 -16.006 647 HB2 LEU 77 2HB LEU 77 8.891 4.738 -14.919 648 HB3 LEU 77 3HB LEU 77 10.607 4.368 -15.003 649 HG LEU 77 HG LEU 77 9.401 6.631 -13.362 650 HD11 LEU 77 1HD1 LEU 77 8.741 4.472 -12.440 651 HD12 LEU 77 2HD1 LEU 77 9.890 5.279 -11.379 652 HD13 LEU 77 3HD1 LEU 77 10.425 3.940 -12.399 653 HD21 LEU 77 3HD2 LEU 77 11.633 6.830 -12.338 654 HD22 LEU 77 1HD2 LEU 77 11.677 7.153 -14.070 655 HD23 LEU 77 2HD2 LEU 77 12.259 5.606 -13.448 656 H GLU 78 H GLU 78 11.485 6.519 -18.122 657 HA GLU 78 HA GLU 78 10.780 4.140 -19.617 658 HB2 GLU 78 2HB GLU 78 9.912 5.274 -21.601 659 HB3 GLU 78 3HB GLU 78 8.899 5.675 -20.219 660 HG2 GLU 78 2HG GLU 78 9.850 7.890 -20.057 661 HG3 GLU 78 3HG GLU 78 11.099 7.500 -21.240 662 H HIS 79 H HIS 79 11.819 4.444 -21.948 663 HA HIS 79 HA HIS 79 14.585 4.627 -21.727 664 HB2 HIS 79 2HB HIS 79 14.647 4.444 -24.188 665 HB3 HIS 79 3HB HIS 79 13.446 3.348 -23.515 666 HD1 HIS 79 HD1 HIS 79 13.834 5.472 -26.284 667 HD2 HIS 79 HD2 HIS 79 10.702 4.809 -23.631 668 HE1 HIS 79 HE1 HIS 79 11.763 6.279 -27.457 669 HE2 HIS 79 HE2 HIS 79 9.915 5.971 -25.789 670 H HIS 80 H HIS 80 16.053 6.208 -22.007 671 HA HIS 80 HA HIS 80 15.230 8.892 -22.971 672 HB2 HIS 80 2HB HIS 80 17.038 9.819 -21.435 673 HB3 HIS 80 3HB HIS 80 15.639 9.137 -20.616 674 HD1 HIS 80 HD1 HIS 80 19.311 8.760 -20.954 675 HD2 HIS 80 HD2 HIS 80 16.150 6.722 -19.181 676 HE1 HIS 80 HE1 HIS 80 20.358 7.131 -19.360 677 HE2 HIS 80 HE2 HIS 80 18.424 6.057 -18.172 678 H HIS 81 H HIS 81 16.157 6.643 -24.471 679 HA HIS 81 HA HIS 81 18.247 7.902 -26.017 680 HB2 HIS 81 2HB HIS 81 19.865 6.094 -25.962 681 HB3 HIS 81 3HB HIS 81 19.524 6.524 -24.286 682 HD1 HIS 81 HD1 HIS 81 19.567 3.684 -26.591 683 HD2 HIS 81 HD2 HIS 81 17.693 4.589 -22.994 684 HE1 HIS 81 HE1 HIS 81 18.768 1.498 -25.667 685 HE2 HIS 81 HE2 HIS 81 17.809 2.049 -23.418 686 H HIS 82 H HIS 82 18.610 6.710 -28.083 687 HA HIS 82 HA HIS 82 16.152 5.639 -29.187 688 HB2 HIS 82 2HB HIS 82 18.892 6.109 -30.424 689 HB3 HIS 82 3HB HIS 82 17.504 5.511 -31.326 690 HD1 HIS 82 HD1 HIS 82 15.849 7.204 -32.174 691 HD2 HIS 82 HD2 HIS 82 18.667 8.868 -29.610 692 HE1 HIS 82 HE1 HIS 82 15.547 9.690 -32.354 693 HE2 HIS 82 HE2 HIS 82 17.184 10.667 -30.719 694 H HIS 83 H HIS 83 15.925 3.619 -30.178 695 HA HIS 83 HA HIS 83 17.971 1.535 -29.724 696 HB2 HIS 83 2HB HIS 83 16.331 1.129 -27.973 697 HB3 HIS 83 3HB HIS 83 14.986 1.329 -29.089 698 HD1 HIS 83 HD1 HIS 83 14.227 -0.695 -30.375 699 HD2 HIS 83 HD2 HIS 83 17.770 -1.383 -28.314 700 HE1 HIS 83 HE1 HIS 83 14.657 -3.150 -30.582 701 HE2 HIS 83 HE2 HIS 83 16.708 -3.569 -29.190 702 H HIS 84 H HIS 84 18.527 0.800 -31.648 703 HA HIS 84 HA HIS 84 16.932 1.160 -34.030 704 HB2 HIS 84 2HB HIS 84 19.609 -0.268 -33.670 705 HB3 HIS 84 3HB HIS 84 18.876 0.190 -35.205 706 HD1 HIS 84 HD1 HIS 84 21.059 1.444 -32.544 707 HD2 HIS 84 HD2 HIS 84 18.804 3.086 -35.619 708 HE1 HIS 84 HE1 HIS 84 21.890 3.790 -32.804 709 HE2 HIS 84 HE2 HIS 84 20.374 4.816 -34.522 Start of MODEL 10 1 H1 MET 1 1H MET 1 -0.022 14.433 -14.924 2 H2 MET 1 2H MET 1 -0.845 12.981 -15.141 3 H3 MET 1 3H MET 1 -0.664 14.049 -16.436 4 HA MET 1 HA MET 1 0.836 12.190 -16.640 5 HB2 MET 1 2HB MET 1 2.343 14.747 -15.937 6 HB3 MET 1 3HB MET 1 2.884 13.475 -17.025 7 HG2 MET 1 2HG MET 1 2.180 15.272 -18.399 8 HG3 MET 1 3HG MET 1 0.906 14.060 -18.506 9 HE1 MET 1 3HE MET 1 1.599 16.668 -15.565 10 HE2 MET 1 1HE MET 1 0.562 18.000 -16.083 11 HE3 MET 1 2HE MET 1 1.967 17.553 -17.047 12 H GLY 2 H GLY 2 0.869 10.621 -14.992 13 HA2 GLY 2 2HA GLY 2 3.078 10.100 -13.534 14 HA3 GLY 2 3HA GLY 2 2.177 11.134 -12.431 15 H GLN 3 H GLN 3 2.609 7.957 -13.541 16 HA GLN 3 HA GLN 3 0.065 6.879 -12.605 17 HB2 GLN 3 2HB GLN 3 1.168 5.700 -14.406 18 HB3 GLN 3 3HB GLN 3 2.673 5.600 -13.505 19 HG2 GLN 3 2HG GLN 3 1.555 4.047 -11.885 20 HG3 GLN 3 3HG GLN 3 0.106 4.101 -12.887 21 HE21 GLN 3 1HE2 GLN 3 0.236 1.840 -13.211 22 HE22 GLN 3 2HE2 GLN 3 1.403 1.133 -14.264 23 H TRP 4 H TRP 4 -0.374 6.473 -10.510 24 HA TRP 4 HA TRP 4 1.730 6.888 -8.510 25 HB2 TRP 4 2HB TRP 4 -1.300 6.848 -8.236 26 HB3 TRP 4 3HB TRP 4 -0.166 7.217 -6.936 27 HD1 TRP 4 HD1 TRP 4 1.470 9.467 -7.438 28 HE1 TRP 4 HE1 TRP 4 0.826 11.683 -8.564 29 HE3 TRP 4 HE3 TRP 4 -2.787 7.960 -9.845 30 HZ2 TRP 4 HZ2 TRP 4 -1.205 12.675 -10.228 31 HZ3 TRP 4 HZ3 TRP 4 -4.028 9.615 -11.184 32 HH2 TRP 4 HH2 TRP 4 -3.250 11.926 -11.370 33 H GLN 5 H GLN 5 2.445 5.397 -7.159 34 HA GLN 5 HA GLN 5 1.168 2.778 -6.837 35 HB2 GLN 5 2HB GLN 5 2.522 2.527 -8.845 36 HB3 GLN 5 3HB GLN 5 3.915 3.253 -8.052 37 HG2 GLN 5 2HG GLN 5 4.112 1.310 -6.569 38 HG3 GLN 5 3HG GLN 5 2.683 0.583 -7.308 39 HE21 GLN 5 1HE2 GLN 5 5.977 1.636 -7.932 40 HE22 GLN 5 2HE2 GLN 5 6.249 0.604 -9.287 41 H ILE 6 H ILE 6 1.230 2.319 -4.704 42 HA ILE 6 HA ILE 6 3.192 3.597 -2.893 43 HB ILE 6 HB ILE 6 0.647 2.031 -2.198 44 HG12 ILE 6 2HG1 ILE 6 0.861 5.072 -2.198 45 HG13 ILE 6 3HG1 ILE 6 0.269 4.175 -3.584 46 HG21 ILE 6 1HG2 ILE 6 0.782 3.160 0.014 47 HG22 ILE 6 2HG2 ILE 6 2.306 3.914 -0.466 48 HG23 ILE 6 3HG2 ILE 6 2.204 2.157 -0.306 49 HD11 ILE 6 3HD1 ILE 6 -1.549 5.023 -2.239 50 HD12 ILE 6 1HD1 ILE 6 -0.945 4.155 -0.829 51 HD13 ILE 6 2HD1 ILE 6 -1.542 3.260 -2.230 52 H LYS 7 H LYS 7 5.025 2.257 -2.750 53 HA LYS 7 HA LYS 7 4.683 -0.664 -2.473 54 HB2 LYS 7 2HB LYS 7 7.167 1.061 -2.822 55 HB3 LYS 7 3HB LYS 7 7.217 -0.678 -2.555 56 HG2 LYS 7 2HG LYS 7 5.962 -1.029 -4.665 57 HG3 LYS 7 3HG LYS 7 5.961 0.720 -4.939 58 HD2 LYS 7 2HD LYS 7 8.413 0.740 -5.062 59 HD3 LYS 7 3HD LYS 7 8.471 -0.980 -4.669 60 HE2 LYS 7 2HE LYS 7 7.366 -1.529 -6.781 61 HE3 LYS 7 3HE LYS 7 7.208 0.186 -7.171 62 HZ1 LYS 7 3HZ LYS 7 9.628 0.358 -7.183 63 HZ2 LYS 7 1HZ LYS 7 9.090 -0.782 -8.308 64 HZ3 LYS 7 2HZ LYS 7 9.765 -1.294 -6.846 65 H ILE 8 H ILE 8 4.355 -1.385 -0.483 66 HA ILE 8 HA ILE 8 5.130 0.195 1.893 67 HB ILE 8 HB ILE 8 3.275 -2.239 1.684 68 HG12 ILE 8 2HG1 ILE 8 2.364 0.679 1.753 69 HG13 ILE 8 3HG1 ILE 8 2.498 -0.262 0.272 70 HG21 ILE 8 1HG2 ILE 8 4.107 -1.831 3.963 71 HG22 ILE 8 2HG2 ILE 8 2.379 -1.501 3.868 72 HG23 ILE 8 3HG2 ILE 8 3.529 -0.163 3.903 73 HD11 ILE 8 3HD1 ILE 8 0.215 -0.133 1.131 74 HD12 ILE 8 1HD1 ILE 8 0.721 -0.966 2.597 75 HD13 ILE 8 2HD1 ILE 8 0.805 -1.789 1.038 76 H TYR 9 H TYR 9 7.242 -0.446 2.425 77 HA TYR 9 HA TYR 9 7.983 -3.302 2.365 78 HB2 TYR 9 2HB TYR 9 9.644 -0.793 2.882 79 HB3 TYR 9 3HB TYR 9 10.292 -2.429 2.883 80 HD1 TYR 9 HD1 TYR 9 8.913 0.275 0.750 81 HD2 TYR 9 HD2 TYR 9 10.677 -3.619 0.779 82 HE1 TYR 9 HE1 TYR 9 9.261 0.412 -1.675 83 HE2 TYR 9 HE2 TYR 9 11.025 -3.463 -1.645 84 HH TYR 9 HH TYR 9 10.057 -2.265 -3.563 85 H SER 10 H SER 10 7.281 -4.332 4.143 86 HA SER 10 HA SER 10 8.020 -3.299 6.787 87 HB2 SER 10 2HB SER 10 5.660 -2.584 6.426 88 HB3 SER 10 3HB SER 10 5.200 -4.250 6.086 89 HG SER 10 HG SER 10 4.882 -3.378 8.311 90 H GLU 11 H GLU 11 7.946 -4.966 8.410 91 HA GLU 11 HA GLU 11 8.829 -7.572 7.346 92 HB2 GLU 11 2HB GLU 11 10.374 -6.308 8.800 93 HB3 GLU 11 3HB GLU 11 9.157 -6.223 10.067 94 HG2 GLU 11 2HG GLU 11 9.276 -8.689 10.303 95 HG3 GLU 11 3HG GLU 11 10.556 -8.731 9.092 96 H ASN 12 H ASN 12 6.688 -6.130 9.792 97 HA ASN 12 HA ASN 12 5.581 -8.603 10.723 98 HB2 ASN 12 2HB ASN 12 5.756 -6.647 12.206 99 HB3 ASN 12 3HB ASN 12 4.678 -5.723 11.166 100 HD21 ASN 12 1HD2 ASN 12 3.244 -5.375 12.915 101 HD22 ASN 12 2HD2 ASN 12 2.230 -6.630 13.527 102 H GLU 13 H GLU 13 3.946 -9.751 9.878 103 HA GLU 13 HA GLU 13 2.758 -9.106 7.393 104 HB2 GLU 13 2HB GLU 13 1.405 -11.131 7.639 105 HB3 GLU 13 3HB GLU 13 3.076 -11.445 8.088 106 HG2 GLU 13 2HG GLU 13 2.541 -11.539 10.414 107 HG3 GLU 13 3HG GLU 13 0.938 -10.860 10.148 108 H ARG 14 H ARG 14 1.685 -8.579 10.701 109 HA ARG 14 HA ARG 14 -1.084 -8.313 10.216 110 HB2 ARG 14 2HB ARG 14 -0.117 -8.686 12.466 111 HB3 ARG 14 3HB ARG 14 0.573 -7.067 12.440 112 HG2 ARG 14 2HG ARG 14 -1.452 -7.086 13.799 113 HG3 ARG 14 3HG ARG 14 -1.704 -6.097 12.362 114 HD2 ARG 14 2HD ARG 14 -2.835 -8.128 11.301 115 HD3 ARG 14 3HD ARG 14 -2.771 -8.892 12.894 116 HE ARG 14 HE ARG 14 -3.986 -6.303 12.989 117 HH11 ARG 14 1HH1 ARG 14 -4.716 -9.640 12.102 118 HH12 ARG 14 2HH1 ARG 14 -6.417 -9.457 12.383 119 HH21 ARG 14 1HH2 ARG 14 -6.213 -6.078 13.343 120 HH22 ARG 14 2HH2 ARG 14 -7.271 -7.428 13.084 121 H GLU 15 H GLU 15 1.560 -6.099 9.804 122 HA GLU 15 HA GLU 15 0.094 -3.665 9.603 123 HB2 GLU 15 2HB GLU 15 2.734 -4.301 8.239 124 HB3 GLU 15 3HB GLU 15 2.127 -2.719 8.712 125 HG2 GLU 15 2HG GLU 15 3.098 -4.938 10.521 126 HG3 GLU 15 3HG GLU 15 3.858 -3.375 10.245 127 H PHE 16 H PHE 16 1.114 -6.129 7.269 128 HA PHE 16 HA PHE 16 -0.048 -4.922 4.950 129 HB2 PHE 16 2HB PHE 16 0.611 -7.851 5.512 130 HB3 PHE 16 3HB PHE 16 0.158 -7.206 3.937 131 HD1 PHE 16 HD1 PHE 16 1.719 -5.790 2.665 132 HD2 PHE 16 HD2 PHE 16 2.851 -7.423 6.444 133 HE1 PHE 16 HE1 PHE 16 4.066 -5.234 2.204 134 HE2 PHE 16 HE2 PHE 16 5.203 -6.870 5.969 135 HZ PHE 16 HZ PHE 16 5.806 -5.767 3.853 136 H ARG 17 H ARG 17 -1.200 -7.211 7.409 137 HA ARG 17 HA ARG 17 -3.563 -8.105 6.210 138 HB2 ARG 17 2HB ARG 17 -2.976 -7.739 9.180 139 HB3 ARG 17 3HB ARG 17 -4.369 -8.608 8.552 140 HG2 ARG 17 2HG ARG 17 -1.462 -9.389 8.203 141 HG3 ARG 17 3HG ARG 17 -2.630 -10.152 9.277 142 HD2 ARG 17 2HD ARG 17 -3.970 -10.821 7.285 143 HD3 ARG 17 3HD ARG 17 -2.717 -10.130 6.246 144 HE ARG 17 HE ARG 17 -1.351 -11.877 7.814 145 HH11 ARG 17 1HH1 ARG 17 -4.147 -12.232 5.689 146 HH12 ARG 17 2HH1 ARG 17 -3.790 -13.891 5.326 147 HH21 ARG 17 1HH2 ARG 17 -0.943 -14.031 7.367 148 HH22 ARG 17 2HH2 ARG 17 -1.971 -14.913 6.279 149 H GLU 18 H GLU 18 -2.946 -5.237 8.202 150 HA GLU 18 HA GLU 18 -5.517 -4.215 8.481 151 HB2 GLU 18 2HB GLU 18 -2.899 -2.717 8.070 152 HB3 GLU 18 3HB GLU 18 -4.398 -1.944 8.573 153 HG2 GLU 18 2HG GLU 18 -2.795 -4.002 10.103 154 HG3 GLU 18 3HG GLU 18 -3.012 -2.300 10.502 155 H LEU 19 H LEU 19 -3.148 -3.516 5.918 156 HA LEU 19 HA LEU 19 -4.879 -1.956 4.320 157 HB2 LEU 19 2HB LEU 19 -2.229 -3.305 3.761 158 HB3 LEU 19 3HB LEU 19 -3.118 -2.536 2.462 159 HG LEU 19 HG LEU 19 -1.421 -1.004 3.274 160 HD11 LEU 19 1HD1 LEU 19 -4.166 -0.033 4.143 161 HD12 LEU 19 2HD1 LEU 19 -3.501 0.028 2.511 162 HD13 LEU 19 3HD1 LEU 19 -2.767 0.988 3.791 163 HD21 LEU 19 3HD2 LEU 19 -2.649 -1.228 6.049 164 HD22 LEU 19 1HD2 LEU 19 -1.362 -0.117 5.571 165 HD23 LEU 19 2HD2 LEU 19 -1.079 -1.855 5.544 166 H ILE 20 H ILE 20 -4.232 -5.437 4.370 167 HA ILE 20 HA ILE 20 -5.361 -6.108 1.866 168 HB ILE 20 HB ILE 20 -5.014 -7.789 4.390 169 HG12 ILE 20 2HG1 ILE 20 -2.889 -7.086 3.371 170 HG13 ILE 20 3HG1 ILE 20 -3.102 -8.814 3.166 171 HG21 ILE 20 1HG2 ILE 20 -5.392 -9.803 3.010 172 HG22 ILE 20 2HG2 ILE 20 -5.829 -8.787 1.636 173 HG23 ILE 20 3HG2 ILE 20 -6.830 -8.790 3.089 174 HD11 ILE 20 3HD1 ILE 20 -2.140 -7.827 1.185 175 HD12 ILE 20 1HD1 ILE 20 -3.486 -6.695 1.046 176 HD13 ILE 20 2HD1 ILE 20 -3.757 -8.424 0.817 177 H GLU 21 H GLU 21 -6.803 -6.025 5.148 178 HA GLU 21 HA GLU 21 -9.468 -6.711 4.470 179 HB2 GLU 21 2HB GLU 21 -8.522 -4.841 6.689 180 HB3 GLU 21 3HB GLU 21 -10.094 -5.620 6.614 181 HG2 GLU 21 2HG GLU 21 -7.421 -6.974 7.026 182 HG3 GLU 21 3HG GLU 21 -8.661 -6.710 8.244 183 H ARG 22 H ARG 22 -7.773 -3.630 4.640 184 HA ARG 22 HA ARG 22 -10.032 -1.938 4.426 185 HB2 ARG 22 2HB ARG 22 -7.041 -1.485 4.267 186 HB3 ARG 22 3HB ARG 22 -8.165 -0.155 4.013 187 HG2 ARG 22 2HG ARG 22 -8.080 -1.871 6.519 188 HG3 ARG 22 3HG ARG 22 -7.291 -0.304 6.341 189 HD2 ARG 22 2HD ARG 22 -10.287 -0.781 6.118 190 HD3 ARG 22 3HD ARG 22 -9.453 -0.140 7.534 191 HE ARG 22 HE ARG 22 -8.946 1.839 6.353 192 HH11 ARG 22 1HH1 ARG 22 -11.070 -0.260 4.468 193 HH12 ARG 22 2HH1 ARG 22 -11.540 1.015 3.388 194 HH21 ARG 22 1HH2 ARG 22 -9.508 3.453 4.875 195 HH22 ARG 22 2HH2 ARG 22 -10.659 3.112 3.613 196 H LEU 23 H LEU 23 -7.696 -3.034 1.973 197 HA LEU 23 HA LEU 23 -8.446 -1.201 -0.088 198 HB2 LEU 23 2HB LEU 23 -7.030 -3.895 -0.320 199 HB3 LEU 23 3HB LEU 23 -7.109 -2.682 -1.589 200 HG LEU 23 HG LEU 23 -5.689 -2.355 1.077 201 HD11 LEU 23 1HD1 LEU 23 -4.489 -2.744 -1.673 202 HD12 LEU 23 2HD1 LEU 23 -4.525 -3.936 -0.373 203 HD13 LEU 23 3HD1 LEU 23 -3.598 -2.453 -0.175 204 HD21 LEU 23 3HD2 LEU 23 -6.528 -0.208 0.345 205 HD22 LEU 23 1HD2 LEU 23 -5.817 -0.434 -1.251 206 HD23 LEU 23 2HD2 LEU 23 -4.777 -0.260 0.161 207 H GLU 24 H GLU 24 -9.558 -4.351 0.883 208 HA GLU 24 HA GLU 24 -11.184 -4.939 -1.414 209 HB2 GLU 24 2HB GLU 24 -11.241 -6.109 1.399 210 HB3 GLU 24 3HB GLU 24 -12.111 -6.759 0.013 211 HG2 GLU 24 2HG GLU 24 -9.943 -7.178 -1.132 212 HG3 GLU 24 3HG GLU 24 -9.097 -6.578 0.292 213 H GLU 25 H GLU 25 -11.618 -2.901 1.313 214 HA GLU 25 HA GLU 25 -14.538 -2.764 1.094 215 HB2 GLU 25 2HB GLU 25 -12.587 -1.132 2.780 216 HB3 GLU 25 3HB GLU 25 -14.342 -1.098 2.919 217 HG2 GLU 25 2HG GLU 25 -14.318 -3.463 3.669 218 HG3 GLU 25 3HG GLU 25 -12.558 -3.474 3.533 219 H GLU 26 H GLU 26 -11.678 -1.089 -0.030 220 HA GLU 26 HA GLU 26 -12.921 1.466 -0.452 221 HB2 GLU 26 2HB GLU 26 -10.265 0.432 -1.507 222 HB3 GLU 26 3HB GLU 26 -10.794 2.109 -1.531 223 HG2 GLU 26 2HG GLU 26 -10.266 0.458 0.947 224 HG3 GLU 26 3HG GLU 26 -9.167 1.645 0.268 225 H ARG 27 H ARG 27 -13.685 2.368 -2.283 226 HA ARG 27 HA ARG 27 -14.480 0.527 -4.435 227 HB2 ARG 27 2HB ARG 27 -15.621 3.286 -3.767 228 HB3 ARG 27 3HB ARG 27 -16.326 2.083 -4.842 229 HG2 ARG 27 2HG ARG 27 -16.045 1.870 -1.831 230 HG3 ARG 27 3HG ARG 27 -17.541 2.148 -2.720 231 HD2 ARG 27 2HD ARG 27 -17.382 -0.092 -3.718 232 HD3 ARG 27 3HD ARG 27 -15.838 -0.365 -2.910 233 HE ARG 27 HE ARG 27 -17.276 -0.001 -0.777 234 HH11 ARG 27 1HH1 ARG 27 -18.294 -1.732 -3.676 235 HH12 ARG 27 2HH1 ARG 27 -19.379 -2.779 -2.817 236 HH21 ARG 27 1HH2 ARG 27 -18.659 -1.421 0.337 237 HH22 ARG 27 2HH2 ARG 27 -19.583 -2.597 -0.535 238 HA PRO 28 HA PRO 28 -15.493 0.839 -6.585 239 HB2 PRO 28 2HB PRO 28 -14.121 0.453 -9.192 240 HB3 PRO 28 3HB PRO 28 -15.717 1.160 -8.862 241 HG2 PRO 28 2HG PRO 28 -13.649 2.656 -9.735 242 HG3 PRO 28 3HG PRO 28 -14.888 3.302 -8.632 243 HD2 PRO 28 2HD PRO 28 -12.127 2.264 -7.958 244 HD3 PRO 28 3HD PRO 28 -12.928 3.761 -7.417 245 H SER 29 H SER 29 -12.049 0.256 -7.242 246 HA SER 29 HA SER 29 -11.932 -2.222 -5.864 247 HB2 SER 29 2HB SER 29 -13.003 -3.089 -7.939 248 HB3 SER 29 3HB SER 29 -11.718 -2.376 -8.908 249 HG SER 29 HG SER 29 -11.719 -4.674 -7.354 250 H VAL 30 H VAL 30 -9.908 -2.260 -5.058 251 HA VAL 30 HA VAL 30 -7.783 -0.632 -6.280 252 HB VAL 30 HB VAL 30 -7.800 -2.060 -3.570 253 HG11 VAL 30 1HG1 VAL 30 -5.842 -0.632 -3.046 254 HG12 VAL 30 2HG1 VAL 30 -5.852 -0.004 -4.693 255 HG13 VAL 30 3HG1 VAL 30 -5.525 -1.714 -4.400 256 HG21 VAL 30 3HG2 VAL 30 -9.522 -0.310 -3.617 257 HG22 VAL 30 1HG2 VAL 30 -8.341 0.879 -4.176 258 HG23 VAL 30 2HG2 VAL 30 -8.190 0.168 -2.568 259 H GLN 31 H GLN 31 -6.169 -1.538 -7.386 260 HA GLN 31 HA GLN 31 -5.805 -4.466 -7.423 261 HB2 GLN 31 2HB GLN 31 -4.711 -2.291 -9.269 262 HB3 GLN 31 3HB GLN 31 -4.408 -4.018 -9.453 263 HG2 GLN 31 2HG GLN 31 -6.856 -4.379 -9.755 264 HG3 GLN 31 3HG GLN 31 -7.099 -2.634 -9.673 265 HE21 GLN 31 1HE2 GLN 31 -5.811 -5.269 -11.571 266 HE22 GLN 31 2HE2 GLN 31 -5.672 -4.404 -13.062 267 H TYR 32 H TYR 32 -4.097 -5.376 -6.428 268 HA TYR 32 HA TYR 32 -1.691 -3.888 -5.728 269 HB2 TYR 32 2HB TYR 32 -1.918 -4.411 -3.288 270 HB3 TYR 32 3HB TYR 32 -3.165 -3.310 -3.850 271 HD1 TYR 32 HD1 TYR 32 -5.525 -4.122 -4.140 272 HD2 TYR 32 HD2 TYR 32 -2.525 -6.630 -2.401 273 HE1 TYR 32 HE1 TYR 32 -7.271 -5.617 -3.270 274 HE2 TYR 32 HE2 TYR 32 -4.270 -8.116 -1.528 275 HH TYR 32 HH TYR 32 -7.526 -7.930 -2.556 276 H THR 33 H THR 33 -0.014 -5.320 -4.840 277 HA THR 33 HA THR 33 -0.287 -8.207 -5.217 278 HB THR 33 HB THR 33 1.635 -6.563 -6.954 279 HG1 THR 33 HG1 THR 33 -0.885 -7.697 -7.417 280 HG21 THR 33 3HG2 THR 33 2.179 -8.728 -8.050 281 HG22 THR 33 1HG2 THR 33 1.172 -9.576 -6.864 282 HG23 THR 33 2HG2 THR 33 2.636 -8.739 -6.350 283 H GLU 34 H GLU 34 0.803 -9.083 -3.535 284 HA GLU 34 HA GLU 34 2.878 -7.547 -2.130 285 HB2 GLU 34 2HB GLU 34 0.902 -8.636 -0.933 286 HB3 GLU 34 3HB GLU 34 1.606 -10.201 -1.323 287 HG2 GLU 34 2HG GLU 34 3.668 -9.503 -0.052 288 HG3 GLU 34 3HG GLU 34 2.805 -8.051 0.453 289 H THR 35 H THR 35 4.959 -7.902 -2.633 290 HA THR 35 HA THR 35 5.875 -10.505 -3.747 291 HB THR 35 HB THR 35 6.804 -7.680 -4.476 292 HG1 THR 35 HG1 THR 35 5.043 -9.501 -5.725 293 HG21 THR 35 3HG2 THR 35 7.647 -10.331 -5.707 294 HG22 THR 35 1HG2 THR 35 8.651 -9.316 -4.674 295 HG23 THR 35 2HG2 THR 35 8.137 -8.727 -6.257 296 H THR 36 H THR 36 7.576 -11.409 -2.567 297 HA THR 36 HA THR 36 8.869 -9.963 -0.421 298 HB THR 36 HB THR 36 9.580 -12.710 -1.572 299 HG1 THR 36 HG1 THR 36 7.612 -11.853 0.267 300 HG21 THR 36 3HG2 THR 36 11.382 -11.737 -0.163 301 HG22 THR 36 1HG2 THR 36 10.633 -13.123 0.626 302 HG23 THR 36 2HG2 THR 36 10.224 -11.488 1.149 303 H ARG 37 H ARG 37 10.089 -8.323 -1.124 304 HA ARG 37 HA ARG 37 12.304 -8.755 -3.031 305 HB2 ARG 37 2HB ARG 37 10.318 -7.672 -4.173 306 HB3 ARG 37 3HB ARG 37 10.429 -6.348 -3.022 307 HG2 ARG 37 2HG ARG 37 11.438 -5.700 -5.139 308 HG3 ARG 37 3HG ARG 37 12.673 -5.781 -3.880 309 HD2 ARG 37 2HD ARG 37 13.478 -7.908 -4.719 310 HD3 ARG 37 3HD ARG 37 12.142 -8.016 -5.871 311 HE ARG 37 HE ARG 37 13.677 -5.645 -6.279 312 HH11 ARG 37 1HH1 ARG 37 13.752 -9.104 -6.887 313 HH12 ARG 37 2HH1 ARG 37 14.771 -8.964 -8.284 314 HH21 ARG 37 1HH2 ARG 37 14.980 -5.456 -8.146 315 HH22 ARG 37 2HH2 ARG 37 15.472 -6.887 -9.000 316 H ASN 38 H ASN 38 14.160 -7.596 -2.517 317 HA ASN 38 HA ASN 38 15.774 -6.740 -1.194 318 HB2 ASN 38 2HB ASN 38 13.581 -5.260 0.333 319 HB3 ASN 38 3HB ASN 38 15.308 -4.981 0.514 320 HD21 ASN 38 1HD2 ASN 38 12.538 -4.565 -1.546 321 HD22 ASN 38 2HD2 ASN 38 13.247 -3.386 -2.591 322 H GLY 39 H GLY 39 14.114 -9.198 -0.583 323 HA2 GLY 39 2HA GLY 39 14.603 -10.962 0.871 324 HA3 GLY 39 3HA GLY 39 15.317 -9.829 2.009 325 H ARG 40 H ARG 40 12.764 -8.150 1.633 326 HA ARG 40 HA ARG 40 11.089 -9.578 3.604 327 HB2 ARG 40 2HB ARG 40 10.418 -7.407 4.490 328 HB3 ARG 40 3HB ARG 40 12.173 -7.505 4.478 329 HG2 ARG 40 2HG ARG 40 12.292 -6.071 2.506 330 HG3 ARG 40 3HG ARG 40 10.530 -6.044 2.379 331 HD2 ARG 40 2HD ARG 40 11.418 -3.981 3.404 332 HD3 ARG 40 3HD ARG 40 10.361 -4.862 4.511 333 HE ARG 40 HE ARG 40 13.296 -5.128 4.656 334 HH11 ARG 40 1HH1 ARG 40 10.272 -4.276 6.254 335 HH12 ARG 40 2HH1 ARG 40 11.012 -4.125 7.816 336 HH21 ARG 40 1HH2 ARG 40 14.243 -4.925 6.701 337 HH22 ARG 40 2HH2 ARG 40 13.266 -4.494 8.068 338 H ARG 41 H ARG 41 8.832 -9.523 3.330 339 HA ARG 41 HA ARG 41 7.694 -9.188 0.779 340 HB2 ARG 41 2HB ARG 41 5.469 -9.139 2.112 341 HB3 ARG 41 3HB ARG 41 6.477 -10.574 2.233 342 HG2 ARG 41 2HG ARG 41 7.379 -9.704 4.407 343 HG3 ARG 41 3HG ARG 41 6.233 -8.369 4.306 344 HD2 ARG 41 2HD ARG 41 4.365 -9.816 4.590 345 HD3 ARG 41 3HD ARG 41 5.332 -11.257 4.234 346 HE ARG 41 HE ARG 41 6.030 -9.669 6.602 347 HH11 ARG 41 1HH1 ARG 41 4.593 -12.621 5.339 348 HH12 ARG 41 2HH1 ARG 41 4.657 -13.439 6.867 349 HH21 ARG 41 1HH2 ARG 41 6.102 -10.769 8.600 350 HH22 ARG 41 2HH2 ARG 41 5.507 -12.398 8.707 351 H GLN 42 H GLN 42 6.786 -7.502 -0.253 352 HA GLN 42 HA GLN 42 6.259 -4.953 1.131 353 HB2 GLN 42 2HB GLN 42 6.928 -3.686 -0.851 354 HB3 GLN 42 3HB GLN 42 8.274 -4.701 -0.352 355 HG2 GLN 42 2HG GLN 42 7.901 -6.229 -2.177 356 HG3 GLN 42 3HG GLN 42 6.375 -5.454 -2.593 357 HE21 GLN 42 1HE2 GLN 42 6.420 -3.466 -3.712 358 HE22 GLN 42 2HE2 GLN 42 7.847 -2.936 -4.529 359 H LEU 43 H LEU 43 4.376 -3.860 0.356 360 HA LEU 43 HA LEU 43 2.558 -5.534 -1.304 361 HB2 LEU 43 2HB LEU 43 2.100 -4.650 1.252 362 HB3 LEU 43 3HB LEU 43 1.465 -3.283 0.369 363 HG LEU 43 HG LEU 43 0.487 -6.165 0.196 364 HD11 LEU 43 1HD1 LEU 43 -0.853 -3.702 1.363 365 HD12 LEU 43 2HD1 LEU 43 -0.185 -5.061 2.270 366 HD13 LEU 43 3HD1 LEU 43 -1.579 -5.306 1.222 367 HD21 LEU 43 3HD2 LEU 43 0.259 -5.151 -2.005 368 HD22 LEU 43 1HD2 LEU 43 -0.554 -3.746 -1.308 369 HD23 LEU 43 2HD2 LEU 43 -1.322 -5.334 -1.252 370 H THR 44 H THR 44 2.747 -4.783 -3.343 371 HA THR 44 HA THR 44 3.235 -1.962 -3.945 372 HB THR 44 HB THR 44 2.995 -4.366 -5.828 373 HG1 THR 44 HG1 THR 44 5.120 -4.634 -5.573 374 HG21 THR 44 3HG2 THR 44 4.159 -1.591 -6.324 375 HG22 THR 44 1HG2 THR 44 2.653 -2.214 -7.004 376 HG23 THR 44 2HG2 THR 44 4.193 -2.938 -7.462 377 H ILE 45 H ILE 45 1.399 -0.808 -3.737 378 HA ILE 45 HA ILE 45 -1.204 -1.768 -4.731 379 HB ILE 45 HB ILE 45 -0.477 0.714 -3.081 380 HG12 ILE 45 2HG1 ILE 45 -1.801 -1.901 -2.215 381 HG13 ILE 45 3HG1 ILE 45 -0.188 -1.354 -1.778 382 HG21 ILE 45 1HG2 ILE 45 -3.257 -0.310 -3.807 383 HG22 ILE 45 2HG2 ILE 45 -2.486 1.143 -4.445 384 HG23 ILE 45 3HG2 ILE 45 -2.901 1.050 -2.736 385 HD11 ILE 45 3HD1 ILE 45 -1.717 -1.067 0.055 386 HD12 ILE 45 1HD1 ILE 45 -2.788 -0.081 -0.938 387 HD13 ILE 45 2HD1 ILE 45 -1.178 0.511 -0.518 388 H ARG 46 H ARG 46 -2.066 -0.932 -6.560 389 HA ARG 46 HA ARG 46 -0.985 1.561 -7.741 390 HB2 ARG 46 2HB ARG 46 -1.951 -0.960 -9.157 391 HB3 ARG 46 3HB ARG 46 -1.724 0.582 -9.977 392 HG2 ARG 46 2HG ARG 46 0.681 0.539 -9.314 393 HG3 ARG 46 3HG ARG 46 0.426 -1.060 -8.613 394 HD2 ARG 46 2HD ARG 46 -0.133 -1.981 -10.799 395 HD3 ARG 46 3HD ARG 46 -0.057 -0.371 -11.532 396 HE ARG 46 HE ARG 46 2.370 -1.275 -10.206 397 HH11 ARG 46 1HH1 ARG 46 0.670 -1.014 -13.284 398 HH12 ARG 46 2HH1 ARG 46 2.119 -1.185 -14.223 399 HH21 ARG 46 1HH2 ARG 46 4.253 -1.457 -11.433 400 HH22 ARG 46 2HH2 ARG 46 4.164 -1.435 -13.169 401 H SER 47 H SER 47 -2.469 2.856 -8.800 402 HA SER 47 HA SER 47 -5.352 2.388 -8.431 403 HB2 SER 47 2HB SER 47 -4.663 3.670 -6.443 404 HB3 SER 47 3HB SER 47 -3.811 4.839 -7.447 405 HG SER 47 HG SER 47 -6.516 4.572 -6.902 406 H ASN 48 H ASN 48 -6.476 4.402 -9.488 407 HA ASN 48 HA ASN 48 -5.274 4.914 -12.151 408 HB2 ASN 48 2HB ASN 48 -7.645 5.077 -12.948 409 HB3 ASN 48 3HB ASN 48 -7.302 3.505 -12.226 410 HD21 ASN 48 1HD2 ASN 48 -8.084 3.119 -10.025 411 HD22 ASN 48 2HD2 ASN 48 -9.477 3.964 -9.448 412 H ASP 49 H ASP 49 -6.402 6.342 -9.224 413 HA ASP 49 HA ASP 49 -6.517 9.064 -10.364 414 HB2 ASP 49 2HB ASP 49 -8.823 8.406 -10.238 415 HB3 ASP 49 3HB ASP 49 -8.617 7.673 -8.653 416 H LYS 50 H LYS 50 -5.851 10.713 -8.983 417 HA LYS 50 HA LYS 50 -3.919 10.014 -7.029 418 HB2 LYS 50 2HB LYS 50 -3.659 12.008 -8.471 419 HB3 LYS 50 3HB LYS 50 -5.038 12.771 -7.692 420 HG2 LYS 50 2HG LYS 50 -2.856 13.647 -6.870 421 HG3 LYS 50 3HG LYS 50 -3.832 12.932 -5.586 422 HD2 LYS 50 2HD LYS 50 -2.486 10.840 -5.771 423 HD3 LYS 50 3HD LYS 50 -1.470 11.617 -6.985 424 HE2 LYS 50 2HE LYS 50 -1.826 12.637 -4.150 425 HE3 LYS 50 3HE LYS 50 -0.508 11.585 -4.660 426 HZ1 LYS 50 3HZ LYS 50 -1.053 14.324 -5.658 427 HZ2 LYS 50 1HZ LYS 50 0.172 13.309 -6.235 428 HZ3 LYS 50 2HZ LYS 50 0.208 13.852 -4.636 429 H ASN 51 H ASN 51 -7.237 11.307 -6.762 430 HA ASN 51 HA ASN 51 -7.136 11.833 -3.958 431 HB2 ASN 51 2HB ASN 51 -9.621 11.151 -5.587 432 HB3 ASN 51 3HB ASN 51 -9.584 11.974 -4.033 433 HD21 ASN 51 1HD2 ASN 51 -9.089 12.282 -7.461 434 HD22 ASN 51 2HD2 ASN 51 -8.940 14.006 -7.494 435 H GLU 52 H GLU 52 -7.913 8.972 -5.864 436 HA GLU 52 HA GLU 52 -8.881 7.297 -3.768 437 HB2 GLU 52 2HB GLU 52 -9.351 6.924 -6.191 438 HB3 GLU 52 3HB GLU 52 -7.656 6.536 -6.461 439 HG2 GLU 52 2HG GLU 52 -7.904 4.569 -4.937 440 HG3 GLU 52 3HG GLU 52 -9.615 4.958 -4.759 441 H VAL 53 H VAL 53 -5.715 7.474 -5.422 442 HA VAL 53 HA VAL 53 -4.464 5.401 -3.957 443 HB VAL 53 HB VAL 53 -3.701 6.317 -6.223 444 HG11 VAL 53 1HG1 VAL 53 -3.636 8.705 -5.664 445 HG12 VAL 53 2HG1 VAL 53 -2.094 8.153 -6.307 446 HG13 VAL 53 3HG1 VAL 53 -2.279 8.420 -4.573 447 HG21 VAL 53 3HG2 VAL 53 -1.314 5.770 -5.861 448 HG22 VAL 53 1HG2 VAL 53 -2.369 4.645 -5.005 449 HG23 VAL 53 2HG2 VAL 53 -1.540 5.924 -4.117 450 H ASP 54 H ASP 54 -4.729 8.852 -3.397 451 HA ASP 54 HA ASP 54 -2.660 8.976 -1.386 452 HB2 ASP 54 2HB ASP 54 -3.089 10.851 -2.938 453 HB3 ASP 54 3HB ASP 54 -4.701 11.054 -2.264 454 H ARG 55 H ARG 55 -6.114 8.593 -1.468 455 HA ARG 55 HA ARG 55 -6.707 8.975 1.297 456 HB2 ARG 55 2HB ARG 55 -8.493 8.995 -0.303 457 HB3 ARG 55 3HB ARG 55 -8.044 7.426 -0.953 458 HG2 ARG 55 2HG ARG 55 -8.812 6.328 1.095 459 HG3 ARG 55 3HG ARG 55 -9.205 7.891 1.816 460 HD2 ARG 55 2HD ARG 55 -11.057 8.214 0.386 461 HD3 ARG 55 3HD ARG 55 -10.454 7.063 -0.806 462 HE ARG 55 HE ARG 55 -11.149 5.278 0.545 463 HH11 ARG 55 1HH1 ARG 55 -12.239 8.347 1.885 464 HH12 ARG 55 2HH1 ARG 55 -13.448 7.592 2.871 465 HH21 ARG 55 1HH2 ARG 55 -12.686 4.328 1.820 466 HH22 ARG 55 2HH2 ARG 55 -13.703 5.304 2.837 467 H ILE 56 H ILE 56 -5.626 6.207 -0.611 468 HA ILE 56 HA ILE 56 -5.611 4.258 1.512 469 HB ILE 56 HB ILE 56 -4.142 4.322 -1.173 470 HG12 ILE 56 2HG1 ILE 56 -6.742 2.874 -0.453 471 HG13 ILE 56 3HG1 ILE 56 -6.663 4.392 -1.337 472 HG21 ILE 56 1HG2 ILE 56 -3.875 1.870 -0.916 473 HG22 ILE 56 2HG2 ILE 56 -4.579 1.964 0.700 474 HG23 ILE 56 3HG2 ILE 56 -3.039 2.757 0.358 475 HD11 ILE 56 3HD1 ILE 56 -7.025 2.571 -2.853 476 HD12 ILE 56 1HD1 ILE 56 -5.599 1.727 -2.253 477 HD13 ILE 56 2HD1 ILE 56 -5.421 3.248 -3.133 478 H LEU 57 H LEU 57 -3.253 6.373 -0.018 479 HA LEU 57 HA LEU 57 -0.865 5.489 1.083 480 HB2 LEU 57 2HB LEU 57 -1.082 6.913 -0.915 481 HB3 LEU 57 3HB LEU 57 -1.663 8.237 0.078 482 HG LEU 57 HG LEU 57 0.577 8.334 1.194 483 HD11 LEU 57 1HD1 LEU 57 1.326 6.045 0.881 484 HD12 LEU 57 2HD1 LEU 57 2.493 7.176 0.207 485 HD13 LEU 57 3HD1 LEU 57 1.415 6.283 -0.869 486 HD21 LEU 57 3HD2 LEU 57 1.732 9.408 -0.687 487 HD22 LEU 57 1HD2 LEU 57 0.023 9.830 -0.670 488 HD23 LEU 57 2HD2 LEU 57 0.624 8.636 -1.825 489 H GLU 58 H GLU 58 -2.900 8.253 2.089 490 HA GLU 58 HA GLU 58 -1.362 9.133 4.242 491 HB2 GLU 58 2HB GLU 58 -3.395 10.272 5.055 492 HB3 GLU 58 3HB GLU 58 -3.213 10.460 3.315 493 HG2 GLU 58 2HG GLU 58 -4.938 8.788 2.900 494 HG3 GLU 58 3HG GLU 58 -5.046 8.427 4.621 495 H GLU 59 H GLU 59 -3.718 6.524 4.048 496 HA GLU 59 HA GLU 59 -3.947 6.165 6.894 497 HB2 GLU 59 2HB GLU 59 -5.783 5.642 5.187 498 HB3 GLU 59 3HB GLU 59 -4.878 4.175 4.802 499 HG2 GLU 59 2HG GLU 59 -4.969 3.579 7.263 500 HG3 GLU 59 3HG GLU 59 -6.051 4.949 7.497 501 H VAL 60 H VAL 60 -2.210 4.422 4.253 502 HA VAL 60 HA VAL 60 -1.316 2.299 5.903 503 HB VAL 60 HB VAL 60 -1.187 1.998 3.482 504 HG11 VAL 60 1HG1 VAL 60 -0.604 4.260 2.755 505 HG12 VAL 60 2HG1 VAL 60 0.516 3.080 2.078 506 HG13 VAL 60 3HG1 VAL 60 1.015 4.086 3.442 507 HG21 VAL 60 3HG2 VAL 60 0.326 0.649 4.881 508 HG22 VAL 60 1HG2 VAL 60 1.584 1.882 4.745 509 HG23 VAL 60 2HG2 VAL 60 1.061 0.987 3.321 510 H ARG 61 H ARG 61 -0.007 5.495 5.311 511 HA ARG 61 HA ARG 61 2.543 5.083 6.519 512 HB2 ARG 61 2HB ARG 61 0.978 7.649 6.011 513 HB3 ARG 61 3HB ARG 61 2.676 7.584 6.482 514 HG2 ARG 61 2HG ARG 61 3.225 6.388 4.394 515 HG3 ARG 61 3HG ARG 61 1.524 6.403 3.931 516 HD2 ARG 61 2HD ARG 61 2.690 8.139 2.721 517 HD3 ARG 61 3HD ARG 61 1.599 8.902 3.883 518 HE ARG 61 HE ARG 61 3.875 8.848 5.278 519 HH11 ARG 61 1HH1 ARG 61 3.301 9.885 1.969 520 HH12 ARG 61 2HH1 ARG 61 4.601 11.027 1.969 521 HH21 ARG 61 1HH2 ARG 61 5.569 10.348 5.278 522 HH22 ARG 61 2HH2 ARG 61 5.891 11.292 3.858 523 H ARG 62 H ARG 62 -0.608 6.168 7.783 524 HA ARG 62 HA ARG 62 0.431 6.544 10.494 525 HB2 ARG 62 2HB ARG 62 -1.777 7.290 11.114 526 HB3 ARG 62 3HB ARG 62 -1.426 7.991 9.541 527 HG2 ARG 62 2HG ARG 62 -2.823 6.248 8.465 528 HG3 ARG 62 3HG ARG 62 -3.185 5.573 10.050 529 HD2 ARG 62 2HD ARG 62 -5.045 6.945 9.259 530 HD3 ARG 62 3HD ARG 62 -4.311 7.681 10.685 531 HE ARG 62 HE ARG 62 -3.212 9.276 9.204 532 HH11 ARG 62 1HH1 ARG 62 -5.929 7.532 7.779 533 HH12 ARG 62 2HH1 ARG 62 -6.214 8.754 6.579 534 HH21 ARG 62 1HH2 ARG 62 -3.603 10.834 7.621 535 HH22 ARG 62 2HH2 ARG 62 -4.904 10.618 6.491 536 H LYS 63 H LYS 63 -0.781 3.966 8.619 537 HA LYS 63 HA LYS 63 -2.004 2.338 10.675 538 HB2 LYS 63 2HB LYS 63 -2.043 2.328 7.882 539 HB3 LYS 63 3HB LYS 63 -0.969 0.985 8.194 540 HG2 LYS 63 2HG LYS 63 -3.178 0.153 7.893 541 HG3 LYS 63 3HG LYS 63 -2.763 -0.050 9.597 542 HD2 LYS 63 2HD LYS 63 -4.130 1.829 10.231 543 HD3 LYS 63 3HD LYS 63 -4.364 2.311 8.548 544 HE2 LYS 63 2HE LYS 63 -5.648 0.256 8.135 545 HE3 LYS 63 3HE LYS 63 -5.419 -0.241 9.815 546 HZ1 LYS 63 3HZ LYS 63 -6.925 2.111 8.820 547 HZ2 LYS 63 1HZ LYS 63 -6.595 1.834 10.457 548 HZ3 LYS 63 2HZ LYS 63 -7.556 0.747 9.590 549 H VAL 64 H VAL 64 1.009 2.481 8.932 550 HA VAL 64 HA VAL 64 2.488 1.111 11.013 551 HB VAL 64 HB VAL 64 1.987 -0.751 9.598 552 HG11 VAL 64 1HG1 VAL 64 2.409 -0.887 7.188 553 HG12 VAL 64 2HG1 VAL 64 2.909 0.807 7.164 554 HG13 VAL 64 3HG1 VAL 64 1.247 0.382 7.570 555 HG21 VAL 64 3HG2 VAL 64 4.276 -0.708 10.433 556 HG22 VAL 64 1HG2 VAL 64 4.823 0.175 9.004 557 HG23 VAL 64 2HG2 VAL 64 4.239 -1.484 8.852 558 HA PRO 65 HA PRO 65 4.663 5.015 9.672 559 HB2 PRO 65 2HB PRO 65 5.748 5.426 12.201 560 HB3 PRO 65 3HB PRO 65 4.148 6.020 11.710 561 HG2 PRO 65 2HG PRO 65 4.840 3.524 13.232 562 HG3 PRO 65 3HG PRO 65 3.583 4.737 13.576 563 HD2 PRO 65 2HD PRO 65 2.931 2.443 12.390 564 HD3 PRO 65 3HD PRO 65 2.180 3.967 11.863 565 H ASN 66 H ASN 66 5.607 1.990 11.085 566 HA ASN 66 HA ASN 66 8.471 2.403 10.800 567 HB2 ASN 66 2HB ASN 66 6.823 0.017 11.718 568 HB3 ASN 66 3HB ASN 66 8.583 0.002 11.632 569 HD21 ASN 66 1HD2 ASN 66 5.816 1.293 13.322 570 HD22 ASN 66 2HD2 ASN 66 6.682 1.945 14.664 571 H ALA 67 H ALA 67 6.016 1.516 8.634 572 HA ALA 67 HA ALA 67 7.663 -0.222 6.975 573 HB1 ALA 67 3HB ALA 67 5.235 -0.513 6.898 574 HB2 ALA 67 1HB ALA 67 5.841 -0.039 5.312 575 HB3 ALA 67 2HB ALA 67 5.022 1.145 6.337 576 H ARG 68 H ARG 68 9.022 0.430 5.369 577 HA ARG 68 HA ARG 68 9.428 3.213 4.729 578 HB2 ARG 68 2HB ARG 68 11.267 1.522 4.599 579 HB3 ARG 68 3HB ARG 68 10.412 0.690 3.312 580 HG2 ARG 68 2HG ARG 68 12.152 1.995 2.298 581 HG3 ARG 68 3HG ARG 68 10.614 2.761 1.907 582 HD2 ARG 68 2HD ARG 68 10.973 4.417 3.703 583 HD3 ARG 68 3HD ARG 68 12.520 3.659 4.101 584 HE ARG 68 HE ARG 68 12.226 4.569 1.354 585 HH11 ARG 68 1HH1 ARG 68 13.401 5.394 4.575 586 HH12 ARG 68 2HH1 ARG 68 14.454 6.647 4.002 587 HH21 ARG 68 1HH2 ARG 68 13.550 6.288 0.629 588 HH22 ARG 68 2HH2 ARG 68 14.538 7.159 1.759 589 H VAL 69 H VAL 69 7.669 4.163 3.798 590 HA VAL 69 HA VAL 69 6.082 2.801 1.739 591 HB VAL 69 HB VAL 69 5.667 5.523 3.083 592 HG11 VAL 69 1HG1 VAL 69 3.793 3.970 1.253 593 HG12 VAL 69 2HG1 VAL 69 4.655 5.454 0.844 594 HG13 VAL 69 3HG1 VAL 69 3.410 5.479 2.089 595 HG21 VAL 69 3HG2 VAL 69 5.415 3.662 4.684 596 HG22 VAL 69 1HG2 VAL 69 4.261 2.864 3.613 597 HG23 VAL 69 2HG2 VAL 69 3.853 4.411 4.361 598 H ARG 70 H ARG 70 6.462 3.130 -0.351 599 HA ARG 70 HA ARG 70 8.210 5.352 -1.227 600 HB2 ARG 70 2HB ARG 70 8.736 2.715 -1.526 601 HB3 ARG 70 3HB ARG 70 7.734 2.912 -2.953 602 HG2 ARG 70 2HG ARG 70 10.285 4.445 -2.337 603 HG3 ARG 70 3HG ARG 70 10.133 3.099 -3.463 604 HD2 ARG 70 2HD ARG 70 8.630 4.454 -4.881 605 HD3 ARG 70 3HD ARG 70 8.765 5.798 -3.742 606 HE ARG 70 HE ARG 70 11.297 4.877 -4.763 607 HH11 ARG 70 1HH1 ARG 70 8.601 7.072 -5.398 608 HH12 ARG 70 2HH1 ARG 70 9.538 8.108 -6.425 609 HH21 ARG 70 1HH2 ARG 70 12.508 6.228 -6.115 610 HH22 ARG 70 2HH2 ARG 70 11.769 7.629 -6.830 611 H GLU 71 H GLU 71 6.838 6.941 -1.773 612 HA GLU 71 HA GLU 71 4.400 6.572 -3.308 613 HB2 GLU 71 2HB GLU 71 6.008 9.101 -2.712 614 HB3 GLU 71 3HB GLU 71 4.365 9.049 -3.333 615 HG2 GLU 71 2HG GLU 71 3.525 8.213 -1.231 616 HG3 GLU 71 3HG GLU 71 5.154 7.983 -0.614 617 H THR 72 H THR 72 4.648 5.938 -5.427 618 HA THR 72 HA THR 72 7.047 6.832 -6.919 619 HB THR 72 HB THR 72 5.533 4.301 -7.650 620 HG1 THR 72 HG1 THR 72 6.035 4.141 -5.399 621 HG21 THR 72 3HG2 THR 72 7.323 5.129 -9.162 622 HG22 THR 72 1HG2 THR 72 7.759 3.582 -8.433 623 HG23 THR 72 2HG2 THR 72 8.473 5.076 -7.824 624 H GLU 73 H GLU 73 6.443 8.387 -8.319 625 HA GLU 73 HA GLU 73 4.029 8.009 -9.991 626 HB2 GLU 73 2HB GLU 73 5.877 10.431 -9.842 627 HB3 GLU 73 3HB GLU 73 4.420 10.300 -10.817 628 HG2 GLU 73 2HG GLU 73 3.869 11.646 -8.955 629 HG3 GLU 73 3HG GLU 73 3.107 10.082 -8.682 630 H THR 74 H THR 74 4.335 7.120 -11.991 631 HA THR 74 HA THR 74 6.965 6.813 -13.149 632 HB THR 74 HB THR 74 4.294 6.394 -14.570 633 HG1 THR 74 HG1 THR 74 4.364 4.292 -13.771 634 HG21 THR 74 3HG2 THR 74 7.015 5.101 -15.040 635 HG22 THR 74 1HG2 THR 74 6.277 6.332 -16.068 636 HG23 THR 74 2HG2 THR 74 5.532 4.740 -15.923 637 H GLY 75 H GLY 75 7.847 8.000 -14.827 638 HA2 GLY 75 2HA GLY 75 6.850 9.847 -16.545 639 HA3 GLY 75 3HA GLY 75 7.028 10.757 -15.045 640 H SER 76 H SER 76 8.471 10.688 -17.766 641 HA SER 76 HA SER 76 11.182 11.014 -16.716 642 HB2 SER 76 2HB SER 76 12.119 9.691 -18.648 643 HB3 SER 76 3HB SER 76 11.194 8.707 -17.512 644 HG SER 76 HG SER 76 10.121 8.128 -19.226 645 H LEU 77 H LEU 77 9.065 11.220 -19.548 646 HA LEU 77 HA LEU 77 10.654 13.028 -21.033 647 HB2 LEU 77 2HB LEU 77 7.719 12.290 -21.339 648 HB3 LEU 77 3HB LEU 77 8.638 13.213 -22.516 649 HG LEU 77 HG LEU 77 9.115 10.306 -21.744 650 HD11 LEU 77 1HD1 LEU 77 8.391 9.780 -24.035 651 HD12 LEU 77 2HD1 LEU 77 8.068 11.489 -24.338 652 HD13 LEU 77 3HD1 LEU 77 7.121 10.609 -23.137 653 HD21 LEU 77 3HD2 LEU 77 10.823 10.259 -23.534 654 HD22 LEU 77 1HD2 LEU 77 11.262 11.370 -22.239 655 HD23 LEU 77 2HD2 LEU 77 10.633 11.999 -23.763 656 H GLU 78 H GLU 78 10.852 15.108 -20.824 657 HA GLU 78 HA GLU 78 8.630 16.886 -20.317 658 HB2 GLU 78 2HB GLU 78 9.699 18.091 -18.437 659 HB3 GLU 78 3HB GLU 78 9.359 16.424 -17.999 660 HG2 GLU 78 2HG GLU 78 11.721 15.832 -18.292 661 HG3 GLU 78 3HG GLU 78 12.082 17.480 -18.822 662 H HIS 79 H HIS 79 9.796 19.282 -20.157 663 HA HIS 79 HA HIS 79 11.015 19.689 -22.713 664 HB2 HIS 79 2HB HIS 79 10.608 21.597 -20.377 665 HB3 HIS 79 3HB HIS 79 11.267 22.089 -21.934 666 HD1 HIS 79 HD1 HIS 79 9.621 22.568 -23.795 667 HD2 HIS 79 HD2 HIS 79 7.823 20.835 -20.472 668 HE1 HIS 79 HE1 HIS 79 7.156 22.744 -24.193 669 HE2 HIS 79 HE2 HIS 79 6.095 21.553 -22.254 670 H HIS 80 H HIS 80 13.046 20.968 -22.983 671 HA HIS 80 HA HIS 80 15.212 20.139 -21.151 672 HB2 HIS 80 2HB HIS 80 16.558 19.367 -23.082 673 HB3 HIS 80 3HB HIS 80 15.059 18.452 -22.965 674 HD1 HIS 80 HD1 HIS 80 16.869 20.872 -25.143 675 HD2 HIS 80 HD2 HIS 80 13.231 18.847 -25.109 676 HE1 HIS 80 HE1 HIS 80 15.887 21.217 -27.421 677 HE2 HIS 80 HE2 HIS 80 13.596 20.195 -27.300 678 H HIS 81 H HIS 81 17.369 21.184 -22.110 679 HA HIS 81 HA HIS 81 16.855 24.056 -22.224 680 HB2 HIS 81 2HB HIS 81 19.411 22.453 -21.833 681 HB3 HIS 81 3HB HIS 81 19.393 24.211 -21.972 682 HD1 HIS 81 HD1 HIS 81 18.883 21.491 -19.533 683 HD2 HIS 81 HD2 HIS 81 17.961 25.535 -19.818 684 HE1 HIS 81 HE1 HIS 81 18.175 22.188 -17.228 685 HE2 HIS 81 HE2 HIS 81 17.449 24.580 -17.472 686 H HIS 82 H HIS 82 17.337 25.375 -23.834 687 HA HIS 82 HA HIS 82 18.206 24.307 -26.464 688 HB2 HIS 82 2HB HIS 82 16.497 25.880 -27.483 689 HB3 HIS 82 3HB HIS 82 15.787 24.574 -26.545 690 HD1 HIS 82 HD1 HIS 82 16.283 28.288 -26.499 691 HD2 HIS 82 HD2 HIS 82 14.378 25.363 -24.232 692 HE1 HIS 82 HE1 HIS 82 14.846 29.534 -24.858 693 HE2 HIS 82 HE2 HIS 82 13.872 27.756 -23.374 694 H HIS 83 H HIS 83 19.582 25.740 -24.257 695 HA HIS 83 HA HIS 83 21.129 27.563 -25.819 696 HB2 HIS 83 2HB HIS 83 19.318 29.124 -25.213 697 HB3 HIS 83 3HB HIS 83 19.468 28.689 -23.518 698 HD1 HIS 83 HD1 HIS 83 21.371 30.518 -26.240 699 HD2 HIS 83 HD2 HIS 83 21.304 30.197 -22.092 700 HE1 HIS 83 HE1 HIS 83 22.994 32.244 -25.398 701 HE2 HIS 83 HE2 HIS 83 23.099 31.869 -22.919 702 H HIS 84 H HIS 84 23.129 28.025 -24.824 703 HA HIS 84 HA HIS 84 23.632 27.007 -22.109 704 HB2 HIS 84 2HB HIS 84 25.788 26.046 -22.763 705 HB3 HIS 84 3HB HIS 84 24.504 25.303 -23.705 706 HD1 HIS 84 HD1 HIS 84 27.747 26.872 -24.054 707 HD2 HIS 84 HD2 HIS 84 24.406 26.389 -26.468 708 HE1 HIS 84 HE1 HIS 84 28.542 27.311 -26.396 709 HE2 HIS 84 HE2 HIS 84 26.530 26.914 -27.847 Start of MODEL 11 1 H1 MET 1 1H MET 1 1.105 11.872 -18.049 2 H2 MET 1 2H MET 1 -0.475 12.395 -18.312 3 H3 MET 1 3H MET 1 -0.186 10.811 -17.817 4 HA MET 1 HA MET 1 0.326 13.272 -16.265 5 HB2 MET 1 2HB MET 1 -1.493 12.582 -14.809 6 HB3 MET 1 3HB MET 1 -2.093 12.587 -16.460 7 HG2 MET 1 2HG MET 1 -1.940 10.144 -16.552 8 HG3 MET 1 3HG MET 1 -1.247 10.110 -14.929 9 HE1 MET 1 3HE MET 1 -4.858 8.600 -14.462 10 HE2 MET 1 1HE MET 1 -3.146 8.339 -14.136 11 HE3 MET 1 2HE MET 1 -3.735 8.365 -15.801 12 H GLY 2 H GLY 2 0.964 12.824 -14.014 13 HA2 GLY 2 2HA GLY 2 3.054 10.833 -13.811 14 HA3 GLY 2 3HA GLY 2 2.596 12.022 -12.605 15 H GLN 3 H GLN 3 1.747 8.874 -13.974 16 HA GLN 3 HA GLN 3 -0.371 8.152 -12.288 17 HB2 GLN 3 2HB GLN 3 0.175 6.873 -14.325 18 HB3 GLN 3 3HB GLN 3 1.702 6.350 -13.618 19 HG2 GLN 3 2HG GLN 3 0.418 5.139 -11.845 20 HG3 GLN 3 3HG GLN 3 -1.081 5.583 -12.664 21 HE21 GLN 3 1HE2 GLN 3 0.084 2.931 -12.115 22 HE22 GLN 3 2HE2 GLN 3 0.186 2.156 -13.653 23 H TRP 4 H TRP 4 -0.471 7.524 -10.224 24 HA TRP 4 HA TRP 4 1.952 7.635 -8.582 25 HB2 TRP 4 2HB TRP 4 -0.971 7.626 -7.709 26 HB3 TRP 4 3HB TRP 4 0.422 8.044 -6.720 27 HD1 TRP 4 HD1 TRP 4 1.257 10.558 -6.823 28 HE1 TRP 4 HE1 TRP 4 0.396 12.676 -8.003 29 HE3 TRP 4 HE3 TRP 4 -2.198 8.427 -9.961 30 HZ2 TRP 4 HZ2 TRP 4 -1.457 13.357 -10.006 31 HZ3 TRP 4 HZ3 TRP 4 -3.468 9.889 -11.484 32 HH2 TRP 4 HH2 TRP 4 -3.103 12.306 -11.503 33 H GLN 5 H GLN 5 2.689 5.936 -7.422 34 HA GLN 5 HA GLN 5 1.174 3.414 -7.205 35 HB2 GLN 5 2HB GLN 5 2.488 3.051 -9.192 36 HB3 GLN 5 3HB GLN 5 3.909 3.807 -8.489 37 HG2 GLN 5 2HG GLN 5 4.207 1.895 -6.975 38 HG3 GLN 5 3HG GLN 5 2.752 1.135 -7.627 39 HE21 GLN 5 1HE2 GLN 5 6.032 2.174 -8.428 40 HE22 GLN 5 2HE2 GLN 5 6.243 1.113 -9.773 41 H ILE 6 H ILE 6 1.250 2.734 -5.160 42 HA ILE 6 HA ILE 6 3.043 3.978 -3.188 43 HB ILE 6 HB ILE 6 0.646 2.141 -2.678 44 HG12 ILE 6 2HG1 ILE 6 0.517 5.186 -2.600 45 HG13 ILE 6 3HG1 ILE 6 0.033 4.253 -4.011 46 HG21 ILE 6 1HG2 ILE 6 2.005 4.151 -0.844 47 HG22 ILE 6 2HG2 ILE 6 2.162 2.393 -0.754 48 HG23 ILE 6 3HG2 ILE 6 0.603 3.160 -0.429 49 HD11 ILE 6 3HD1 ILE 6 -1.219 4.105 -1.264 50 HD12 ILE 6 1HD1 ILE 6 -1.673 3.109 -2.652 51 HD13 ILE 6 2HD1 ILE 6 -1.899 4.853 -2.710 52 H LYS 7 H LYS 7 4.915 2.794 -2.830 53 HA LYS 7 HA LYS 7 4.790 -0.170 -2.787 54 HB2 LYS 7 2HB LYS 7 7.188 1.689 -3.114 55 HB3 LYS 7 3HB LYS 7 7.314 -0.058 -2.900 56 HG2 LYS 7 2HG LYS 7 5.950 -0.339 -5.008 57 HG3 LYS 7 3HG LYS 7 6.062 1.414 -5.242 58 HD2 LYS 7 2HD LYS 7 8.547 1.235 -5.257 59 HD3 LYS 7 3HD LYS 7 8.417 -0.517 -5.063 60 HE2 LYS 7 2HE LYS 7 7.263 -0.668 -7.227 61 HE3 LYS 7 3HE LYS 7 7.364 1.085 -7.414 62 HZ1 LYS 7 3HZ LYS 7 9.678 -0.775 -7.241 63 HZ2 LYS 7 1HZ LYS 7 9.781 0.904 -7.418 64 HZ3 LYS 7 2HZ LYS 7 9.102 -0.040 -8.642 65 H ILE 8 H ILE 8 4.369 -0.819 -0.806 66 HA ILE 8 HA ILE 8 5.365 0.650 1.552 67 HB ILE 8 HB ILE 8 3.352 -1.655 1.565 68 HG12 ILE 8 2HG1 ILE 8 2.572 1.290 1.321 69 HG13 ILE 8 3HG1 ILE 8 2.622 0.194 -0.053 70 HG21 ILE 8 1HG2 ILE 8 2.554 -0.582 3.650 71 HG22 ILE 8 2HG2 ILE 8 3.771 0.685 3.467 72 HG23 ILE 8 3HG2 ILE 8 4.271 -0.985 3.749 73 HD11 ILE 8 3HD1 ILE 8 0.897 -1.179 0.930 74 HD12 ILE 8 1HD1 ILE 8 0.371 0.497 0.808 75 HD13 ILE 8 2HD1 ILE 8 0.860 -0.158 2.370 76 H TYR 9 H TYR 9 7.361 -0.132 2.127 77 HA TYR 9 HA TYR 9 8.083 -2.965 1.784 78 HB2 TYR 9 2HB TYR 9 9.824 -0.538 2.447 79 HB3 TYR 9 3HB TYR 9 10.424 -2.181 2.256 80 HD1 TYR 9 HD2 TYR 9 10.220 -3.299 -0.029 81 HD2 TYR 9 HD1 TYR 9 9.594 0.892 0.535 82 HE1 TYR 9 HE2 TYR 9 10.607 -2.923 -2.422 83 HE2 TYR 9 HE1 TYR 9 9.987 1.272 -1.867 84 HH TYR 9 HH TYR 9 10.171 -1.306 -4.141 85 H SER 10 H SER 10 7.454 -4.154 3.562 86 HA SER 10 HA SER 10 8.265 -3.193 6.258 87 HB2 SER 10 2HB SER 10 5.763 -3.256 5.941 88 HB3 SER 10 3HB SER 10 5.875 -4.986 5.618 89 HG SER 10 HG SER 10 5.741 -3.748 7.970 90 H GLU 11 H GLU 11 8.689 -4.942 7.780 91 HA GLU 11 HA GLU 11 9.541 -7.529 6.588 92 HB2 GLU 11 2HB GLU 11 11.064 -7.719 8.572 93 HB3 GLU 11 3HB GLU 11 11.464 -6.382 7.501 94 HG2 GLU 11 2HG GLU 11 10.336 -4.809 9.068 95 HG3 GLU 11 3HG GLU 11 9.994 -6.166 10.147 96 H ASN 12 H ASN 12 7.131 -6.084 8.290 97 HA ASN 12 HA ASN 12 6.433 -8.489 9.863 98 HB2 ASN 12 2HB ASN 12 6.778 -6.491 11.270 99 HB3 ASN 12 3HB ASN 12 5.629 -5.576 10.299 100 HD21 ASN 12 1HD2 ASN 12 4.526 -5.175 12.303 101 HD22 ASN 12 2HD2 ASN 12 3.468 -6.357 12.987 102 H GLU 13 H GLU 13 5.119 -9.654 8.710 103 HA GLU 13 HA GLU 13 3.457 -8.890 6.566 104 HB2 GLU 13 2HB GLU 13 2.619 -11.223 6.702 105 HB3 GLU 13 3HB GLU 13 4.378 -11.157 6.830 106 HG2 GLU 13 2HG GLU 13 4.178 -11.350 9.311 107 HG3 GLU 13 3HG GLU 13 2.433 -11.504 9.133 108 H ARG 14 H ARG 14 2.926 -8.873 10.006 109 HA ARG 14 HA ARG 14 0.094 -9.207 10.019 110 HB2 ARG 14 2HB ARG 14 1.472 -9.714 11.993 111 HB3 ARG 14 3HB ARG 14 1.936 -8.020 12.133 112 HG2 ARG 14 2HG ARG 14 0.196 -8.609 13.775 113 HG3 ARG 14 3HG ARG 14 -0.394 -7.400 12.633 114 HD2 ARG 14 2HD ARG 14 -1.453 -9.341 11.331 115 HD3 ARG 14 3HD ARG 14 -1.070 -10.361 12.717 116 HE ARG 14 HE ARG 14 -2.694 -9.257 13.977 117 HH11 ARG 14 1HH1 ARG 14 -2.457 -7.808 10.774 118 HH12 ARG 14 2HH1 ARG 14 -3.955 -6.948 10.928 119 HH21 ARG 14 1HH2 ARG 14 -4.683 -8.101 14.129 120 HH22 ARG 14 2HH2 ARG 14 -5.195 -7.110 12.795 121 H GLU 15 H GLU 15 2.223 -6.353 9.874 122 HA GLU 15 HA GLU 15 0.246 -4.342 10.125 123 HB2 GLU 15 2HB GLU 15 2.844 -4.241 8.509 124 HB3 GLU 15 3HB GLU 15 1.853 -2.847 8.934 125 HG2 GLU 15 2HG GLU 15 2.253 -3.345 11.345 126 HG3 GLU 15 3HG GLU 15 3.332 -4.651 10.864 127 H PHE 16 H PHE 16 1.399 -6.258 7.405 128 HA PHE 16 HA PHE 16 -0.147 -4.934 5.388 129 HB2 PHE 16 2HB PHE 16 1.477 -7.507 5.443 130 HB3 PHE 16 3HB PHE 16 0.494 -7.082 4.041 131 HD1 PHE 16 HD2 PHE 16 1.679 -4.034 5.463 132 HD2 PHE 16 HD1 PHE 16 2.961 -7.380 3.099 133 HE1 PHE 16 HE2 PHE 16 3.492 -2.691 4.518 134 HE2 PHE 16 HE1 PHE 16 4.750 -5.991 2.157 135 HZ PHE 16 HZ PHE 16 5.017 -3.666 2.865 136 H ARG 17 H ARG 17 -0.713 -7.641 7.550 137 HA ARG 17 HA ARG 17 -2.900 -8.838 6.290 138 HB2 ARG 17 2HB ARG 17 -1.609 -9.037 8.896 139 HB3 ARG 17 3HB ARG 17 -3.345 -9.016 9.143 140 HG2 ARG 17 2HG ARG 17 -1.834 -10.958 7.365 141 HG3 ARG 17 3HG ARG 17 -2.485 -11.299 8.970 142 HD2 ARG 17 2HD ARG 17 -4.126 -10.565 6.511 143 HD3 ARG 17 3HD ARG 17 -3.948 -12.185 7.192 144 HE ARG 17 HE ARG 17 -4.889 -10.642 9.263 145 HH11 ARG 17 1HH1 ARG 17 -6.074 -11.458 6.060 146 HH12 ARG 17 2HH1 ARG 17 -7.743 -11.311 6.503 147 HH21 ARG 17 1HH2 ARG 17 -7.094 -10.445 9.845 148 HH22 ARG 17 2HH2 ARG 17 -8.321 -10.741 8.650 149 H GLU 18 H GLU 18 -2.692 -5.937 8.257 150 HA GLU 18 HA GLU 18 -5.477 -5.404 8.451 151 HB2 GLU 18 2HB GLU 18 -3.045 -3.572 8.588 152 HB3 GLU 18 3HB GLU 18 -4.692 -3.026 8.891 153 HG2 GLU 18 2HG GLU 18 -3.243 -5.173 10.467 154 HG3 GLU 18 3HG GLU 18 -3.419 -3.494 10.970 155 H LEU 19 H LEU 19 -2.934 -4.244 6.185 156 HA LEU 19 HA LEU 19 -4.555 -2.578 4.632 157 HB2 LEU 19 2HB LEU 19 -1.899 -3.915 4.098 158 HB3 LEU 19 3HB LEU 19 -2.722 -3.125 2.769 159 HG LEU 19 HG LEU 19 -1.077 -1.613 3.705 160 HD11 LEU 19 1HD1 LEU 19 -3.101 -0.560 2.822 161 HD12 LEU 19 2HD1 LEU 19 -2.448 0.367 4.168 162 HD13 LEU 19 3HD1 LEU 19 -3.872 -0.647 4.411 163 HD21 LEU 19 3HD2 LEU 19 -0.881 -2.494 5.963 164 HD22 LEU 19 1HD2 LEU 19 -2.494 -1.902 6.373 165 HD23 LEU 19 2HD2 LEU 19 -1.193 -0.761 6.015 166 H ILE 20 H ILE 20 -3.764 -6.018 4.100 167 HA ILE 20 HA ILE 20 -4.864 -6.403 1.585 168 HB ILE 20 HB ILE 20 -4.842 -8.445 3.865 169 HG12 ILE 20 2HG1 ILE 20 -2.562 -7.598 3.447 170 HG13 ILE 20 3HG1 ILE 20 -2.691 -9.270 2.938 171 HG21 ILE 20 1HG2 ILE 20 -4.864 -10.175 2.081 172 HG22 ILE 20 2HG2 ILE 20 -5.054 -8.910 0.863 173 HG23 ILE 20 3HG2 ILE 20 -6.324 -9.176 2.059 174 HD11 ILE 20 3HD1 ILE 20 -1.341 -8.011 1.402 175 HD12 ILE 20 1HD1 ILE 20 -2.634 -6.838 1.153 176 HD13 ILE 20 2HD1 ILE 20 -2.830 -8.502 0.595 177 H GLU 21 H GLU 21 -6.378 -6.699 4.807 178 HA GLU 21 HA GLU 21 -9.000 -7.304 4.070 179 HB2 GLU 21 2HB GLU 21 -7.915 -5.767 6.465 180 HB3 GLU 21 3HB GLU 21 -9.609 -6.213 6.311 181 HG2 GLU 21 2HG GLU 21 -7.286 -8.161 6.399 182 HG3 GLU 21 3HG GLU 21 -8.321 -7.751 7.766 183 H ARG 22 H ARG 22 -7.504 -4.098 4.674 184 HA ARG 22 HA ARG 22 -9.896 -2.616 4.580 185 HB2 ARG 22 2HB ARG 22 -7.101 -1.533 4.007 186 HB3 ARG 22 3HB ARG 22 -8.504 -0.596 4.505 187 HG2 ARG 22 2HG ARG 22 -6.913 -2.569 6.144 188 HG3 ARG 22 3HG ARG 22 -7.090 -0.841 6.417 189 HD2 ARG 22 2HD ARG 22 -9.318 -1.095 7.235 190 HD3 ARG 22 3HD ARG 22 -9.470 -2.725 6.568 191 HE ARG 22 HE ARG 22 -7.524 -2.190 8.720 192 HH11 ARG 22 1HH1 ARG 22 -10.447 -3.834 7.635 193 HH12 ARG 22 2HH1 ARG 22 -10.502 -4.895 9.009 194 HH21 ARG 22 1HH2 ARG 22 -7.614 -3.587 10.513 195 HH22 ARG 22 2HH2 ARG 22 -8.902 -4.753 10.635 196 H LEU 23 H LEU 23 -7.508 -3.315 2.073 197 HA LEU 23 HA LEU 23 -8.478 -1.487 0.125 198 HB2 LEU 23 2HB LEU 23 -6.750 -3.964 -0.273 199 HB3 LEU 23 3HB LEU 23 -6.932 -2.642 -1.417 200 HG LEU 23 HG LEU 23 -5.619 -2.469 1.323 201 HD11 LEU 23 1HD1 LEU 23 -4.367 -2.287 -1.425 202 HD12 LEU 23 2HD1 LEU 23 -4.217 -3.631 -0.286 203 HD13 LEU 23 3HD1 LEU 23 -3.535 -2.055 0.117 204 HD21 LEU 23 3HD2 LEU 23 -6.765 -0.381 0.859 205 HD22 LEU 23 1HD2 LEU 23 -5.984 -0.269 -0.723 206 HD23 LEU 23 2HD2 LEU 23 -5.022 -0.160 0.754 207 H GLU 24 H GLU 24 -9.214 -4.848 0.848 208 HA GLU 24 HA GLU 24 -10.898 -5.315 -1.468 209 HB2 GLU 24 2HB GLU 24 -10.585 -6.875 1.133 210 HB3 GLU 24 3HB GLU 24 -11.530 -7.422 -0.253 211 HG2 GLU 24 2HG GLU 24 -9.512 -7.512 -1.638 212 HG3 GLU 24 3HG GLU 24 -8.540 -6.877 -0.312 213 H GLU 25 H GLU 25 -11.313 -4.005 1.733 214 HA GLU 25 HA GLU 25 -14.235 -4.080 1.691 215 HB2 GLU 25 2HB GLU 25 -12.304 -2.688 3.602 216 HB3 GLU 25 3HB GLU 25 -14.052 -2.792 3.814 217 HG2 GLU 25 2HG GLU 25 -13.934 -5.218 4.042 218 HG3 GLU 25 3HG GLU 25 -12.204 -5.198 3.708 219 H GLU 26 H GLU 26 -11.705 -1.942 0.652 220 HA GLU 26 HA GLU 26 -13.382 0.432 0.470 221 HB2 GLU 26 2HB GLU 26 -10.482 -0.120 -0.301 222 HB3 GLU 26 3HB GLU 26 -11.285 1.407 -0.670 223 HG2 GLU 26 2HG GLU 26 -11.689 1.804 1.711 224 HG3 GLU 26 3HG GLU 26 -10.957 0.254 2.114 225 H ARG 27 H ARG 27 -14.862 0.464 -1.049 226 HA ARG 27 HA ARG 27 -14.724 -0.825 -3.608 227 HB2 ARG 27 2HB ARG 27 -16.646 1.280 -2.508 228 HB3 ARG 27 3HB ARG 27 -16.888 0.409 -4.018 229 HG2 ARG 27 2HG ARG 27 -16.785 -0.858 -1.260 230 HG3 ARG 27 3HG ARG 27 -18.258 -0.460 -2.140 231 HD2 ARG 27 2HD ARG 27 -17.599 -2.060 -3.925 232 HD3 ARG 27 3HD ARG 27 -16.156 -2.486 -2.997 233 HE ARG 27 HE ARG 27 -18.151 -2.935 -1.233 234 HH11 ARG 27 1HH1 ARG 27 -17.669 -4.060 -4.544 235 HH12 ARG 27 2HH1 ARG 27 -18.528 -5.544 -4.286 236 HH21 ARG 27 1HH2 ARG 27 -19.258 -4.894 -0.909 237 HH22 ARG 27 2HH2 ARG 27 -19.427 -6.017 -2.226 238 HA PRO 28 HA PRO 28 -15.787 -0.288 -5.733 239 HB2 PRO 28 2HB PRO 28 -15.023 -0.088 -8.319 240 HB3 PRO 28 3HB PRO 28 -16.039 1.159 -7.560 241 HG2 PRO 28 2HG PRO 28 -13.089 1.202 -8.095 242 HG3 PRO 28 3HG PRO 28 -14.292 2.492 -8.318 243 HD2 PRO 28 2HD PRO 28 -12.615 2.300 -6.105 244 HD3 PRO 28 3HD PRO 28 -14.170 3.161 -6.105 245 H SER 29 H SER 29 -12.299 -0.010 -6.456 246 HA SER 29 HA SER 29 -11.716 -2.736 -5.859 247 HB2 SER 29 2HB SER 29 -12.695 -3.079 -8.118 248 HB3 SER 29 3HB SER 29 -11.598 -1.878 -8.797 249 HG SER 29 HG SER 29 -10.802 -4.300 -7.524 250 H VAL 30 H VAL 30 -9.747 -2.625 -4.999 251 HA VAL 30 HA VAL 30 -7.825 -0.551 -5.881 252 HB VAL 30 HB VAL 30 -7.803 -2.228 -3.320 253 HG11 VAL 30 1HG1 VAL 30 -6.000 0.088 -4.137 254 HG12 VAL 30 2HG1 VAL 30 -5.529 -1.610 -4.037 255 HG13 VAL 30 3HG1 VAL 30 -5.980 -0.734 -2.576 256 HG21 VAL 30 3HG2 VAL 30 -8.528 0.712 -3.671 257 HG22 VAL 30 1HG2 VAL 30 -8.421 -0.150 -2.133 258 HG23 VAL 30 2HG2 VAL 30 -9.660 -0.596 -3.312 259 H GLN 31 H GLN 31 -6.419 -1.302 -7.357 260 HA GLN 31 HA GLN 31 -5.695 -4.107 -7.601 261 HB2 GLN 31 2HB GLN 31 -4.597 -1.641 -9.044 262 HB3 GLN 31 3HB GLN 31 -4.234 -3.316 -9.464 263 HG2 GLN 31 2HG GLN 31 -6.576 -3.703 -10.058 264 HG3 GLN 31 3HG GLN 31 -6.995 -2.060 -9.576 265 HE21 GLN 31 1HE2 GLN 31 -7.393 -3.302 -12.145 266 HE22 GLN 31 2HE2 GLN 31 -6.508 -2.365 -13.299 267 H TYR 32 H TYR 32 -4.184 -4.988 -6.293 268 HA TYR 32 HA TYR 32 -1.718 -3.545 -5.676 269 HB2 TYR 32 2HB TYR 32 -1.841 -3.910 -3.270 270 HB3 TYR 32 3HB TYR 32 -3.232 -2.973 -3.787 271 HD1 TYR 32 HD1 TYR 32 -5.500 -4.202 -4.031 272 HD2 TYR 32 HD2 TYR 32 -2.144 -5.945 -2.034 273 HE1 TYR 32 HE1 TYR 32 -6.998 -5.782 -2.885 274 HE2 TYR 32 HE2 TYR 32 -3.647 -7.523 -0.902 275 HH TYR 32 HH TYR 32 -6.176 -7.504 -0.230 276 H THR 33 H THR 33 -0.014 -4.906 -4.882 277 HA THR 33 HA THR 33 -0.350 -7.818 -5.030 278 HB THR 33 HB THR 33 1.699 -6.324 -6.750 279 HG1 THR 33 HG1 THR 33 -0.763 -7.594 -7.381 280 HG21 THR 33 3HG2 THR 33 2.169 -8.566 -7.720 281 HG22 THR 33 1HG2 THR 33 1.085 -9.302 -6.538 282 HG23 THR 33 2HG2 THR 33 2.570 -8.506 -6.004 283 H GLU 34 H GLU 34 0.470 -8.404 -3.081 284 HA GLU 34 HA GLU 34 2.797 -7.081 -1.903 285 HB2 GLU 34 2HB GLU 34 0.698 -8.003 -0.638 286 HB3 GLU 34 3HB GLU 34 1.423 -9.589 -0.841 287 HG2 GLU 34 2HG GLU 34 2.813 -7.275 0.533 288 HG3 GLU 34 3HG GLU 34 1.820 -8.438 1.395 289 H THR 35 H THR 35 4.856 -7.906 -1.961 290 HA THR 35 HA THR 35 5.463 -10.551 -3.069 291 HB THR 35 HB THR 35 6.448 -7.937 -4.327 292 HG1 THR 35 HG1 THR 35 4.330 -9.355 -4.864 293 HG21 THR 35 3HG2 THR 35 7.281 -10.788 -5.026 294 HG22 THR 35 1HG2 THR 35 8.308 -9.586 -4.240 295 HG23 THR 35 2HG2 THR 35 7.758 -9.330 -5.897 296 H THR 36 H THR 36 6.604 -11.287 -1.355 297 HA THR 36 HA THR 36 8.393 -9.618 0.211 298 HB THR 36 HB THR 36 7.842 -12.616 0.388 299 HG1 THR 36 HG1 THR 36 6.228 -10.586 0.936 300 HG21 THR 36 3HG2 THR 36 9.964 -11.970 1.510 301 HG22 THR 36 1HG2 THR 36 8.734 -12.420 2.694 302 HG23 THR 36 2HG2 THR 36 9.107 -10.718 2.415 303 H ARG 37 H ARG 37 10.197 -9.063 -0.931 304 HA ARG 37 HA ARG 37 11.794 -11.189 -2.258 305 HB2 ARG 37 2HB ARG 37 10.951 -9.253 -3.695 306 HB3 ARG 37 3HB ARG 37 12.001 -8.188 -2.763 307 HG2 ARG 37 2HG ARG 37 13.149 -8.782 -4.811 308 HG3 ARG 37 3HG ARG 37 13.967 -9.589 -3.468 309 HD2 ARG 37 2HD ARG 37 12.553 -11.660 -4.030 310 HD3 ARG 37 3HD ARG 37 12.085 -10.820 -5.512 311 HE ARG 37 HE ARG 37 14.931 -10.962 -5.135 312 HH11 ARG 37 1HH1 ARG 37 12.146 -12.732 -6.369 313 HH12 ARG 37 2HH1 ARG 37 13.098 -13.720 -7.435 314 HH21 ARG 37 1HH2 ARG 37 16.168 -12.307 -6.521 315 HH22 ARG 37 2HH2 ARG 37 15.365 -13.479 -7.520 316 H ASN 38 H ASN 38 13.408 -11.861 -1.008 317 HA ASN 38 HA ASN 38 15.253 -11.973 0.318 318 HB2 ASN 38 2HB ASN 38 15.521 -9.002 -0.343 319 HB3 ASN 38 3HB ASN 38 16.777 -9.979 0.417 320 HD21 ASN 38 1HD2 ASN 38 16.303 -8.575 -2.308 321 HD22 ASN 38 2HD2 ASN 38 16.911 -9.732 -3.438 322 H GLY 39 H GLY 39 12.582 -11.223 1.397 323 HA2 GLY 39 2HA GLY 39 11.978 -11.321 3.696 324 HA3 GLY 39 3HA GLY 39 13.445 -10.452 4.119 325 H ARG 40 H ARG 40 12.810 -8.599 1.747 326 HA ARG 40 HA ARG 40 11.275 -6.666 3.281 327 HB2 ARG 40 2HB ARG 40 12.617 -6.432 0.542 328 HB3 ARG 40 3HB ARG 40 11.864 -5.102 1.425 329 HG2 ARG 40 2HG ARG 40 13.519 -5.260 3.192 330 HG3 ARG 40 3HG ARG 40 14.225 -6.704 2.460 331 HD2 ARG 40 2HD ARG 40 14.909 -5.391 0.498 332 HD3 ARG 40 3HD ARG 40 14.173 -3.940 1.196 333 HE ARG 40 HE ARG 40 15.869 -4.501 3.131 334 HH11 ARG 40 1HH1 ARG 40 16.482 -4.694 -0.335 335 HH12 ARG 40 2HH1 ARG 40 18.176 -4.347 -0.172 336 HH21 ARG 40 1HH2 ARG 40 18.083 -3.991 3.317 337 HH22 ARG 40 2HH2 ARG 40 19.082 -3.949 1.898 338 H ARG 41 H ARG 41 9.161 -7.027 3.221 339 HA ARG 41 HA ARG 41 7.712 -8.116 0.986 340 HB2 ARG 41 2HB ARG 41 6.663 -6.867 3.571 341 HB3 ARG 41 3HB ARG 41 5.770 -7.923 2.475 342 HG2 ARG 41 2HG ARG 41 7.352 -9.768 3.046 343 HG3 ARG 41 3HG ARG 41 8.141 -8.695 4.206 344 HD2 ARG 41 2HD ARG 41 5.897 -8.485 5.375 345 HD3 ARG 41 3HD ARG 41 5.289 -9.747 4.300 346 HE ARG 41 HE ARG 41 6.939 -10.074 6.618 347 HH11 ARG 41 1HH1 ARG 41 6.229 -11.587 3.508 348 HH12 ARG 41 2HH1 ARG 41 6.742 -13.156 4.039 349 HH21 ARG 41 1HH2 ARG 41 7.611 -12.139 7.265 350 HH22 ARG 41 2HH2 ARG 41 7.518 -13.467 6.152 351 H GLN 42 H GLN 42 7.370 -6.759 -0.765 352 HA GLN 42 HA GLN 42 6.716 -3.925 -0.273 353 HB2 GLN 42 2HB GLN 42 7.150 -3.525 -2.671 354 HB3 GLN 42 3HB GLN 42 8.549 -4.204 -1.856 355 HG2 GLN 42 2HG GLN 42 8.200 -6.354 -2.896 356 HG3 GLN 42 3HG GLN 42 6.655 -5.834 -3.569 357 HE21 GLN 42 1HE2 GLN 42 6.634 -4.429 -5.352 358 HE22 GLN 42 2HE2 GLN 42 8.036 -4.172 -6.334 359 H LEU 43 H LEU 43 4.626 -3.467 -0.173 360 HA LEU 43 HA LEU 43 2.648 -5.025 -1.702 361 HB2 LEU 43 2HB LEU 43 2.540 -4.374 0.899 362 HB3 LEU 43 3HB LEU 43 1.915 -2.856 0.290 363 HG LEU 43 HG LEU 43 0.665 -5.593 -0.201 364 HD11 LEU 43 1HD1 LEU 43 -1.098 -4.909 1.346 365 HD12 LEU 43 2HD1 LEU 43 -0.255 -3.392 1.672 366 HD13 LEU 43 3HD1 LEU 43 0.474 -4.929 2.148 367 HD21 LEU 43 3HD2 LEU 43 -1.274 -4.361 -1.079 368 HD22 LEU 43 1HD2 LEU 43 0.178 -4.071 -2.039 369 HD23 LEU 43 2HD2 LEU 43 -0.388 -2.842 -0.907 370 H THR 44 H THR 44 2.335 -4.198 -3.682 371 HA THR 44 HA THR 44 2.950 -1.378 -4.262 372 HB THR 44 HB THR 44 2.836 -3.786 -6.141 373 HG1 THR 44 HG1 THR 44 4.771 -2.850 -4.462 374 HG21 THR 44 3HG2 THR 44 3.843 -0.955 -6.652 375 HG22 THR 44 1HG2 THR 44 2.382 -1.666 -7.348 376 HG23 THR 44 2HG2 THR 44 3.968 -2.309 -7.776 377 H ILE 45 H ILE 45 1.119 -0.258 -4.087 378 HA ILE 45 HA ILE 45 -1.458 -1.235 -5.110 379 HB ILE 45 HB ILE 45 -0.825 1.255 -3.443 380 HG12 ILE 45 2HG1 ILE 45 -1.948 -1.425 -2.501 381 HG13 ILE 45 3HG1 ILE 45 -0.300 -0.870 -2.232 382 HG21 ILE 45 1HG2 ILE 45 -2.911 1.489 -4.734 383 HG22 ILE 45 2HG2 ILE 45 -3.258 1.356 -3.010 384 HG23 ILE 45 3HG2 ILE 45 -3.510 -0.034 -4.069 385 HD11 ILE 45 3HD1 ILE 45 -1.626 -0.590 -0.254 386 HD12 ILE 45 1HD1 ILE 45 -2.801 0.399 -1.124 387 HD13 ILE 45 2HD1 ILE 45 -1.150 0.985 -0.884 388 H ARG 46 H ARG 46 -2.327 -0.343 -6.933 389 HA ARG 46 HA ARG 46 -1.302 2.190 -8.034 390 HB2 ARG 46 2HB ARG 46 -1.557 -0.461 -9.512 391 HB3 ARG 46 3HB ARG 46 -1.512 1.079 -10.370 392 HG2 ARG 46 2HG ARG 46 0.716 1.548 -9.534 393 HG3 ARG 46 3HG ARG 46 0.674 0.126 -8.487 394 HD2 ARG 46 2HD ARG 46 0.585 0.049 -11.524 395 HD3 ARG 46 3HD ARG 46 2.027 -0.205 -10.542 396 HE ARG 46 HE ARG 46 -0.353 -1.967 -10.406 397 HH11 ARG 46 1HH1 ARG 46 3.151 -1.586 -10.527 398 HH12 ARG 46 2HH1 ARG 46 3.463 -3.290 -10.408 399 HH21 ARG 46 1HH2 ARG 46 0.073 -4.203 -10.245 400 HH22 ARG 46 2HH2 ARG 46 1.718 -4.771 -10.249 401 H SER 47 H SER 47 -2.817 3.479 -8.855 402 HA SER 47 HA SER 47 -5.513 2.545 -9.492 403 HB2 SER 47 2HB SER 47 -6.533 4.300 -8.046 404 HB3 SER 47 3HB SER 47 -5.617 3.140 -7.081 405 HG SER 47 HG SER 47 -4.221 4.638 -6.587 406 H ASN 48 H ASN 48 -6.781 4.662 -10.289 407 HA ASN 48 HA ASN 48 -4.956 5.938 -12.273 408 HB2 ASN 48 2HB ASN 48 -6.781 5.723 -13.926 409 HB3 ASN 48 3HB ASN 48 -6.292 4.149 -13.307 410 HD21 ASN 48 1HD2 ASN 48 -7.699 3.111 -11.745 411 HD22 ASN 48 2HD2 ASN 48 -9.386 3.479 -11.709 412 H ASP 49 H ASP 49 -6.339 6.852 -9.621 413 HA ASP 49 HA ASP 49 -7.140 9.515 -10.616 414 HB2 ASP 49 2HB ASP 49 -9.250 8.261 -10.214 415 HB3 ASP 49 3HB ASP 49 -8.737 7.891 -8.575 416 H LYS 50 H LYS 50 -6.600 11.204 -9.231 417 HA LYS 50 HA LYS 50 -4.298 10.814 -7.632 418 HB2 LYS 50 2HB LYS 50 -5.036 12.876 -9.052 419 HB3 LYS 50 3HB LYS 50 -5.958 13.373 -7.645 420 HG2 LYS 50 2HG LYS 50 -2.961 12.858 -7.571 421 HG3 LYS 50 3HG LYS 50 -3.645 14.427 -7.978 422 HD2 LYS 50 2HD LYS 50 -4.046 12.977 -5.328 423 HD3 LYS 50 3HD LYS 50 -2.886 14.278 -5.613 424 HE2 LYS 50 2HE LYS 50 -4.787 15.791 -6.196 425 HE3 LYS 50 3HE LYS 50 -5.914 14.493 -5.781 426 HZ1 LYS 50 3HZ LYS 50 -4.954 14.506 -3.523 427 HZ2 LYS 50 1HZ LYS 50 -5.668 15.984 -3.928 428 HZ3 LYS 50 2HZ LYS 50 -3.988 15.822 -3.944 429 H ASN 51 H ASN 51 -7.697 11.519 -6.821 430 HA ASN 51 HA ASN 51 -7.254 11.886 -4.001 431 HB2 ASN 51 2HB ASN 51 -9.905 11.184 -5.354 432 HB3 ASN 51 3HB ASN 51 -9.676 11.971 -3.793 433 HD21 ASN 51 1HD2 ASN 51 -9.601 12.377 -7.251 434 HD22 ASN 51 2HD2 ASN 51 -9.542 14.108 -7.252 435 H GLU 52 H GLU 52 -8.106 9.220 -6.085 436 HA GLU 52 HA GLU 52 -8.980 7.312 -4.191 437 HB2 GLU 52 2HB GLU 52 -9.519 7.231 -6.575 438 HB3 GLU 52 3HB GLU 52 -7.828 7.016 -6.999 439 HG2 GLU 52 2HG GLU 52 -7.824 4.782 -6.090 440 HG3 GLU 52 3HG GLU 52 -9.433 5.004 -5.398 441 H VAL 53 H VAL 53 -5.782 7.750 -5.795 442 HA VAL 53 HA VAL 53 -4.444 5.714 -4.324 443 HB VAL 53 HB VAL 53 -3.502 6.511 -6.451 444 HG11 VAL 53 1HG1 VAL 53 -2.372 8.678 -6.689 445 HG12 VAL 53 2HG1 VAL 53 -2.884 9.131 -5.061 446 HG13 VAL 53 3HG1 VAL 53 -4.088 8.890 -6.327 447 HG21 VAL 53 3HG2 VAL 53 -1.128 6.661 -5.792 448 HG22 VAL 53 1HG2 VAL 53 -1.979 5.453 -4.830 449 HG23 VAL 53 2HG2 VAL 53 -1.605 7.029 -4.134 450 H ASP 54 H ASP 54 -4.817 9.212 -3.832 451 HA ASP 54 HA ASP 54 -2.912 9.556 -1.780 452 HB2 ASP 54 2HB ASP 54 -3.783 11.411 -3.172 453 HB3 ASP 54 3HB ASP 54 -5.374 11.242 -2.437 454 H ARG 55 H ARG 55 -6.299 8.638 -1.719 455 HA ARG 55 HA ARG 55 -6.991 8.990 0.966 456 HB2 ARG 55 2HB ARG 55 -8.596 8.392 -0.862 457 HB3 ARG 55 3HB ARG 55 -7.879 6.791 -0.958 458 HG2 ARG 55 2HG ARG 55 -9.947 6.600 0.261 459 HG3 ARG 55 3HG ARG 55 -8.626 6.366 1.408 460 HD2 ARG 55 2HD ARG 55 -8.889 8.666 2.219 461 HD3 ARG 55 3HD ARG 55 -10.153 8.969 1.022 462 HE ARG 55 HE ARG 55 -11.303 6.984 2.280 463 HH11 ARG 55 1HH1 ARG 55 -9.479 9.607 3.761 464 HH12 ARG 55 2HH1 ARG 55 -10.386 9.563 5.240 465 HH21 ARG 55 1HH2 ARG 55 -12.518 6.970 4.222 466 HH22 ARG 55 2HH2 ARG 55 -12.105 8.072 5.507 467 H ILE 56 H ILE 56 -5.689 6.137 -0.682 468 HA ILE 56 HA ILE 56 -5.443 4.513 1.672 469 HB ILE 56 HB ILE 56 -4.299 4.130 -1.138 470 HG12 ILE 56 2HG1 ILE 56 -6.896 2.996 0.025 471 HG13 ILE 56 3HG1 ILE 56 -6.821 4.393 -1.044 472 HG21 ILE 56 1HG2 ILE 56 -4.164 1.739 -0.556 473 HG22 ILE 56 2HG2 ILE 56 -4.716 2.098 1.080 474 HG23 ILE 56 3HG2 ILE 56 -3.161 2.718 0.521 475 HD11 ILE 56 3HD1 ILE 56 -7.462 2.423 -2.261 476 HD12 ILE 56 1HD1 ILE 56 -6.003 1.577 -1.744 477 HD13 ILE 56 2HD1 ILE 56 -5.883 2.981 -2.810 478 H LEU 57 H LEU 57 -3.305 6.473 -0.305 479 HA LEU 57 HA LEU 57 -0.801 5.618 0.550 480 HB2 LEU 57 2HB LEU 57 -1.161 6.931 -1.474 481 HB3 LEU 57 3HB LEU 57 -1.708 8.305 -0.527 482 HG LEU 57 HG LEU 57 0.572 8.584 0.405 483 HD11 LEU 57 1HD1 LEU 57 2.466 7.313 -0.439 484 HD12 LEU 57 2HD1 LEU 57 1.394 6.308 -1.414 485 HD13 LEU 57 3HD1 LEU 57 1.308 6.245 0.348 486 HD21 LEU 57 3HD2 LEU 57 1.646 9.402 -1.640 487 HD22 LEU 57 1HD2 LEU 57 -0.073 9.804 -1.620 488 HD23 LEU 57 2HD2 LEU 57 0.512 8.475 -2.626 489 H GLU 58 H GLU 58 -2.558 8.604 1.605 490 HA GLU 58 HA GLU 58 -0.772 9.303 3.652 491 HB2 GLU 58 2HB GLU 58 -2.499 10.769 4.548 492 HB3 GLU 58 3HB GLU 58 -2.509 10.872 2.792 493 HG2 GLU 58 2HG GLU 58 -4.567 9.750 2.597 494 HG3 GLU 58 3HG GLU 58 -4.432 9.000 4.175 495 H GLU 59 H GLU 59 -3.442 7.032 3.575 496 HA GLU 59 HA GLU 59 -3.895 6.943 6.373 497 HB2 GLU 59 2HB GLU 59 -5.556 6.374 4.524 498 HB3 GLU 59 3HB GLU 59 -4.726 4.829 4.357 499 HG2 GLU 59 2HG GLU 59 -6.685 4.527 5.740 500 HG3 GLU 59 3HG GLU 59 -5.253 4.326 6.747 501 H VAL 60 H VAL 60 -2.156 4.704 4.141 502 HA VAL 60 HA VAL 60 -1.372 2.889 6.189 503 HB VAL 60 HB VAL 60 -1.366 2.189 3.823 504 HG11 VAL 60 1HG1 VAL 60 0.400 2.855 2.250 505 HG12 VAL 60 2HG1 VAL 60 1.038 3.997 3.438 506 HG13 VAL 60 3HG1 VAL 60 -0.571 4.244 2.753 507 HG21 VAL 60 3HG2 VAL 60 0.724 0.895 3.831 508 HG22 VAL 60 1HG2 VAL 60 0.015 0.938 5.446 509 HG23 VAL 60 2HG2 VAL 60 1.403 1.961 5.062 510 H ARG 61 H ARG 61 0.002 5.875 4.955 511 HA ARG 61 HA ARG 61 2.507 5.755 6.313 512 HB2 ARG 61 2HB ARG 61 0.919 8.096 5.186 513 HB3 ARG 61 3HB ARG 61 2.518 8.277 5.903 514 HG2 ARG 61 2HG ARG 61 3.488 6.809 4.188 515 HG3 ARG 61 3HG ARG 61 1.889 6.542 3.490 516 HD2 ARG 61 2HD ARG 61 3.181 8.188 2.186 517 HD3 ARG 61 3HD ARG 61 1.730 8.913 2.875 518 HE ARG 61 HE ARG 61 3.064 10.131 4.399 519 HH11 ARG 61 1HH1 ARG 61 5.073 8.303 2.115 520 HH12 ARG 61 2HH1 ARG 61 6.489 9.257 2.437 521 HH21 ARG 61 1HH2 ARG 61 4.922 11.377 4.763 522 HH22 ARG 61 2HH2 ARG 61 6.397 10.990 3.933 523 H ARG 62 H ARG 62 -0.723 6.563 7.403 524 HA ARG 62 HA ARG 62 0.231 7.891 9.857 525 HB2 ARG 62 2HB ARG 62 -2.556 7.567 8.670 526 HB3 ARG 62 3HB ARG 62 -2.250 8.326 10.232 527 HG2 ARG 62 2HG ARG 62 -0.956 10.101 9.182 528 HG3 ARG 62 3HG ARG 62 -1.070 9.307 7.611 529 HD2 ARG 62 2HD ARG 62 -2.631 11.161 7.703 530 HD3 ARG 62 3HD ARG 62 -3.533 9.645 7.642 531 HE ARG 62 HE ARG 62 -3.160 10.476 10.331 532 HH11 ARG 62 1HH1 ARG 62 -5.077 11.306 7.492 533 HH12 ARG 62 2HH1 ARG 62 -6.378 11.968 8.422 534 HH21 ARG 62 1HH2 ARG 62 -4.878 11.349 11.534 535 HH22 ARG 62 2HH2 ARG 62 -6.269 11.993 10.713 536 H LYS 63 H LYS 63 -1.378 4.915 8.834 537 HA LYS 63 HA LYS 63 -2.061 4.058 11.537 538 HB2 LYS 63 2HB LYS 63 -2.326 2.685 8.825 539 HB3 LYS 63 3HB LYS 63 -2.871 1.966 10.336 540 HG2 LYS 63 2HG LYS 63 -3.929 4.549 9.150 541 HG3 LYS 63 3HG LYS 63 -4.700 2.965 8.999 542 HD2 LYS 63 2HD LYS 63 -4.887 2.891 11.515 543 HD3 LYS 63 3HD LYS 63 -4.252 4.539 11.568 544 HE2 LYS 63 2HE LYS 63 -6.185 5.307 10.219 545 HE3 LYS 63 3HE LYS 63 -6.814 3.657 10.201 546 HZ1 LYS 63 3HZ LYS 63 -7.044 3.734 12.585 547 HZ2 LYS 63 1HZ LYS 63 -7.859 5.040 11.897 548 HZ3 LYS 63 2HZ LYS 63 -6.365 5.276 12.648 549 H VAL 64 H VAL 64 0.278 3.238 9.012 550 HA VAL 64 HA VAL 64 1.404 1.035 10.651 551 HB VAL 64 HB VAL 64 1.439 1.426 7.620 552 HG11 VAL 64 1HG1 VAL 64 2.363 -0.834 7.486 553 HG12 VAL 64 2HG1 VAL 64 2.386 -0.955 9.247 554 HG13 VAL 64 3HG1 VAL 64 3.430 0.210 8.428 555 HG21 VAL 64 3HG2 VAL 64 -0.186 -0.516 9.308 556 HG22 VAL 64 1HG2 VAL 64 -0.133 -0.481 7.543 557 HG23 VAL 64 2HG2 VAL 64 -0.816 0.881 8.431 558 HA PRO 65 HA PRO 65 4.709 4.205 10.628 559 HB2 PRO 65 2HB PRO 65 5.686 3.791 13.102 560 HB3 PRO 65 3HB PRO 65 4.055 4.470 12.871 561 HG2 PRO 65 2HG PRO 65 4.834 1.648 13.553 562 HG3 PRO 65 3HG PRO 65 3.533 2.651 14.233 563 HD2 PRO 65 2HD PRO 65 3.173 0.752 12.220 564 HD3 PRO 65 3HD PRO 65 2.072 2.113 12.538 565 H ASN 66 H ASN 66 5.161 0.727 11.001 566 HA ASN 66 HA ASN 66 8.098 0.947 11.091 567 HB2 ASN 66 2HB ASN 66 6.392 -1.574 11.304 568 HB3 ASN 66 3HB ASN 66 8.114 -1.429 11.652 569 HD21 ASN 66 1HD2 ASN 66 4.908 -0.783 12.793 570 HD22 ASN 66 2HD2 ASN 66 5.345 -0.362 14.409 571 H ALA 67 H ALA 67 5.610 0.345 8.813 572 HA ALA 67 HA ALA 67 7.348 -0.950 6.867 573 HB1 ALA 67 3HB ALA 67 4.948 -1.524 6.929 574 HB2 ALA 67 1HB ALA 67 5.415 -0.858 5.362 575 HB3 ALA 67 2HB ALA 67 4.531 0.140 6.523 576 H ARG 68 H ARG 68 8.753 0.191 5.730 577 HA ARG 68 HA ARG 68 8.845 3.025 5.462 578 HB2 ARG 68 2HB ARG 68 10.852 1.523 5.378 579 HB3 ARG 68 3HB ARG 68 10.266 0.838 3.869 580 HG2 ARG 68 2HG ARG 68 11.984 2.395 3.303 581 HG3 ARG 68 3HG ARG 68 10.457 3.141 2.841 582 HD2 ARG 68 2HD ARG 68 10.494 4.492 4.912 583 HD3 ARG 68 3HD ARG 68 12.033 3.747 5.369 584 HE ARG 68 HE ARG 68 12.414 4.834 2.851 585 HH11 ARG 68 1HH1 ARG 68 11.576 6.072 6.043 586 HH12 ARG 68 2HH1 ARG 68 12.309 7.621 5.771 587 HH21 ARG 68 1HH2 ARG 68 13.427 6.874 2.530 588 HH22 ARG 68 2HH2 ARG 68 13.356 8.072 3.786 589 H VAL 69 H VAL 69 7.120 3.965 4.372 590 HA VAL 69 HA VAL 69 5.979 2.706 1.981 591 HB VAL 69 HB VAL 69 5.131 5.330 3.312 592 HG11 VAL 69 1HG1 VAL 69 3.004 4.992 2.093 593 HG12 VAL 69 2HG1 VAL 69 3.658 3.532 1.344 594 HG13 VAL 69 3HG1 VAL 69 4.370 5.108 0.980 595 HG21 VAL 69 3HG2 VAL 69 3.329 4.029 4.419 596 HG22 VAL 69 1HG2 VAL 69 4.931 3.486 4.935 597 HG23 VAL 69 2HG2 VAL 69 4.008 2.533 3.769 598 H ARG 70 H ARG 70 6.225 3.504 -0.044 599 HA ARG 70 HA ARG 70 8.189 5.652 -0.510 600 HB2 ARG 70 2HB ARG 70 9.457 3.570 -0.470 601 HB3 ARG 70 3HB ARG 70 8.284 2.769 -1.507 602 HG2 ARG 70 2HG ARG 70 10.292 3.277 -2.774 603 HG3 ARG 70 3HG ARG 70 8.947 4.235 -3.393 604 HD2 ARG 70 2HD ARG 70 9.792 6.196 -2.113 605 HD3 ARG 70 3HD ARG 70 11.158 5.219 -1.554 606 HE ARG 70 HE ARG 70 10.936 5.221 -4.407 607 HH11 ARG 70 1HH1 ARG 70 12.149 7.161 -1.709 608 HH12 ARG 70 2HH1 ARG 70 13.319 7.990 -2.691 609 HH21 ARG 70 1HH2 ARG 70 12.430 6.331 -5.666 610 HH22 ARG 70 2HH2 ARG 70 13.478 7.518 -4.942 611 H GLU 71 H GLU 71 6.985 7.073 -1.638 612 HA GLU 71 HA GLU 71 4.941 6.271 -3.525 613 HB2 GLU 71 2HB GLU 71 6.135 9.039 -3.027 614 HB3 GLU 71 3HB GLU 71 4.741 8.693 -4.046 615 HG2 GLU 71 2HG GLU 71 3.844 9.505 -2.018 616 HG3 GLU 71 3HG GLU 71 3.600 7.763 -1.993 617 H THR 72 H THR 72 5.628 5.334 -5.334 618 HA THR 72 HA THR 72 7.865 6.488 -6.890 619 HB THR 72 HB THR 72 7.698 4.281 -8.183 620 HG1 THR 72 HG1 THR 72 5.471 3.972 -6.920 621 HG21 THR 72 3HG2 THR 72 9.414 4.647 -6.429 622 HG22 THR 72 1HG2 THR 72 8.885 2.964 -6.483 623 HG23 THR 72 2HG2 THR 72 8.293 4.035 -5.210 624 H GLU 73 H GLU 73 7.196 7.907 -8.368 625 HA GLU 73 HA GLU 73 4.504 7.722 -9.578 626 HB2 GLU 73 2HB GLU 73 5.131 9.818 -8.374 627 HB3 GLU 73 3HB GLU 73 6.486 10.044 -9.466 628 HG2 GLU 73 2HG GLU 73 3.888 9.790 -10.873 629 HG3 GLU 73 3HG GLU 73 3.939 11.152 -9.756 630 H THR 74 H THR 74 4.279 7.865 -11.838 631 HA THR 74 HA THR 74 6.650 7.525 -13.543 632 HB THR 74 HB THR 74 5.403 5.602 -14.736 633 HG1 THR 74 HG1 THR 74 3.721 6.016 -12.563 634 HG21 THR 74 3HG2 THR 74 7.403 5.140 -13.355 635 HG22 THR 74 1HG2 THR 74 6.216 3.841 -13.221 636 HG23 THR 74 2HG2 THR 74 6.384 5.016 -11.916 637 H GLY 75 H GLY 75 6.341 9.351 -14.687 638 HA2 GLY 75 2HA GLY 75 5.260 9.840 -16.931 639 HA3 GLY 75 3HA GLY 75 3.741 9.855 -16.040 640 H SER 76 H SER 76 6.962 11.210 -15.322 641 HA SER 76 HA SER 76 5.915 13.639 -14.260 642 HB2 SER 76 2HB SER 76 8.782 12.957 -15.038 643 HB3 SER 76 3HB SER 76 8.277 14.291 -13.996 644 HG SER 76 HG SER 76 7.182 12.260 -12.889 645 H LEU 77 H LEU 77 6.116 12.762 -17.447 646 HA LEU 77 HA LEU 77 7.026 15.176 -18.699 647 HB2 LEU 77 2HB LEU 77 5.238 12.975 -19.824 648 HB3 LEU 77 3HB LEU 77 6.073 14.201 -20.768 649 HG LEU 77 HG LEU 77 7.432 12.001 -19.157 650 HD11 LEU 77 1HD1 LEU 77 7.061 12.218 -22.164 651 HD12 LEU 77 2HD1 LEU 77 6.226 11.093 -21.088 652 HD13 LEU 77 3HD1 LEU 77 7.969 10.968 -21.305 653 HD21 LEU 77 3HD2 LEU 77 9.504 12.696 -20.269 654 HD22 LEU 77 1HD2 LEU 77 8.827 14.014 -19.311 655 HD23 LEU 77 2HD2 LEU 77 8.652 14.022 -21.069 656 H GLU 78 H GLU 78 5.797 16.656 -17.343 657 HA GLU 78 HA GLU 78 2.933 17.003 -18.064 658 HB2 GLU 78 2HB GLU 78 4.404 17.904 -15.538 659 HB3 GLU 78 3HB GLU 78 2.707 18.221 -15.894 660 HG2 GLU 78 2HG GLU 78 2.273 15.759 -15.865 661 HG3 GLU 78 3HG GLU 78 3.963 15.490 -15.436 662 H HIS 79 H HIS 79 2.361 18.912 -18.974 663 HA HIS 79 HA HIS 79 4.112 20.739 -20.114 664 HB2 HIS 79 2HB HIS 79 2.158 22.182 -20.519 665 HB3 HIS 79 3HB HIS 79 1.713 20.499 -20.791 666 HD1 HIS 79 HD1 HIS 79 0.201 23.340 -19.557 667 HD2 HIS 79 HD2 HIS 79 0.595 19.516 -17.981 668 HE1 HIS 79 HE1 HIS 79 -1.646 23.106 -17.878 669 HE2 HIS 79 HE2 HIS 79 -1.242 20.878 -16.798 670 H HIS 80 H HIS 80 4.717 22.893 -19.557 671 HA HIS 80 HA HIS 80 5.602 23.229 -16.893 672 HB2 HIS 80 2HB HIS 80 6.831 24.223 -18.789 673 HB3 HIS 80 3HB HIS 80 5.461 25.261 -19.173 674 HD1 HIS 80 HD1 HIS 80 5.303 27.465 -17.953 675 HD2 HIS 80 HD2 HIS 80 8.149 24.938 -16.284 676 HE1 HIS 80 HE1 HIS 80 6.485 28.833 -16.218 677 HE2 HIS 80 HE2 HIS 80 8.310 27.343 -15.361 678 H HIS 81 H HIS 81 4.831 24.442 -15.213 679 HA HIS 81 HA HIS 81 2.060 25.038 -15.045 680 HB2 HIS 81 2HB HIS 81 3.328 24.319 -13.056 681 HB3 HIS 81 3HB HIS 81 4.345 25.748 -13.149 682 HD1 HIS 81 HD1 HIS 81 3.281 28.020 -12.402 683 HD2 HIS 81 HD2 HIS 81 0.817 24.718 -11.832 684 HE1 HIS 81 HE1 HIS 81 1.473 28.786 -10.833 685 HE2 HIS 81 HE2 HIS 81 0.184 26.700 -10.305 686 H HIS 82 H HIS 82 1.559 26.498 -16.577 687 HA HIS 82 HA HIS 82 2.841 29.081 -16.850 688 HB2 HIS 82 2HB HIS 82 1.124 29.503 -18.614 689 HB3 HIS 82 3HB HIS 82 2.057 28.040 -18.877 690 HD1 HIS 82 HD1 HIS 82 -1.268 29.187 -19.182 691 HD2 HIS 82 HD2 HIS 82 0.437 25.648 -17.819 692 HE1 HIS 82 HE1 HIS 82 -3.063 27.442 -19.376 693 HE2 HIS 82 HE2 HIS 82 -2.057 25.376 -18.389 694 H HIS 83 H HIS 83 -0.044 27.798 -15.294 695 HA HIS 83 HA HIS 83 0.020 29.657 -13.236 696 HB2 HIS 83 2HB HIS 83 -1.865 31.133 -13.536 697 HB3 HIS 83 3HB HIS 83 -0.938 31.255 -15.024 698 HD1 HIS 83 HD1 HIS 83 -4.261 30.302 -13.690 699 HD2 HIS 83 HD2 HIS 83 -2.223 30.017 -17.308 700 HE1 HIS 83 HE1 HIS 83 -6.010 29.806 -15.413 701 HE2 HIS 83 HE2 HIS 83 -4.780 29.789 -17.601 702 H HIS 84 H HIS 84 -1.488 29.105 -11.565 703 HA HIS 84 HA HIS 84 -3.247 26.780 -12.090 704 HB2 HIS 84 2HB HIS 84 -1.711 26.511 -10.168 705 HB3 HIS 84 3HB HIS 84 -2.315 27.994 -9.445 706 HD1 HIS 84 HD1 HIS 84 -3.223 24.391 -9.995 707 HD2 HIS 84 HD2 HIS 84 -4.770 27.731 -8.062 708 HE1 HIS 84 HE1 HIS 84 -5.044 23.526 -8.495 709 HE2 HIS 84 HE2 HIS 84 -6.067 25.580 -7.481 Start of MODEL 12 1 H1 MET 1 1H MET 1 -2.247 12.063 -14.483 2 H2 MET 1 2H MET 1 -2.325 13.667 -15.010 3 H3 MET 1 3H MET 1 -1.635 13.302 -13.510 4 HA MET 1 HA MET 1 -0.584 12.433 -16.134 5 HB2 MET 1 2HB MET 1 0.429 14.606 -14.244 6 HB3 MET 1 3HB MET 1 1.300 14.035 -15.661 7 HG2 MET 1 2HG MET 1 -0.557 14.830 -17.089 8 HG3 MET 1 3HG MET 1 -1.357 15.470 -15.651 9 HE1 MET 1 3HE MET 1 0.031 18.674 -17.584 10 HE2 MET 1 1HE MET 1 -1.429 17.870 -17.009 11 HE3 MET 1 2HE MET 1 -0.511 17.183 -18.353 12 H GLY 2 H GLY 2 0.452 10.550 -15.896 13 HA2 GLY 2 2HA GLY 2 2.200 9.178 -15.174 14 HA3 GLY 2 3HA GLY 2 2.328 10.109 -13.692 15 H GLN 3 H GLN 3 2.063 7.130 -14.276 16 HA GLN 3 HA GLN 3 -0.355 6.273 -12.986 17 HB2 GLN 3 2HB GLN 3 0.857 4.767 -14.525 18 HB3 GLN 3 3HB GLN 3 2.270 4.783 -13.470 19 HG2 GLN 3 2HG GLN 3 0.954 3.668 -11.690 20 HG3 GLN 3 3HG GLN 3 -0.462 3.672 -12.740 21 HE21 GLN 3 1HE2 GLN 3 -0.659 1.441 -12.687 22 HE22 GLN 3 2HE2 GLN 3 0.449 0.378 -13.481 23 H TRP 4 H TRP 4 -0.746 6.424 -10.887 24 HA TRP 4 HA TRP 4 1.328 7.212 -8.996 25 HB2 TRP 4 2HB TRP 4 -1.709 7.049 -8.728 26 HB3 TRP 4 3HB TRP 4 -0.617 7.717 -7.516 27 HD1 TRP 4 HD1 TRP 4 0.860 9.924 -8.358 28 HE1 TRP 4 HE1 TRP 4 0.198 11.834 -9.929 29 HE3 TRP 4 HE3 TRP 4 -3.174 7.764 -10.608 30 HZ2 TRP 4 HZ2 TRP 4 -1.783 12.390 -11.830 31 HZ3 TRP 4 HZ3 TRP 4 -4.406 9.064 -12.296 32 HH2 TRP 4 HH2 TRP 4 -3.724 11.328 -12.892 33 H GLN 5 H GLN 5 2.243 5.798 -7.617 34 HA GLN 5 HA GLN 5 0.951 3.205 -7.054 35 HB2 GLN 5 2HB GLN 5 2.262 2.882 -9.107 36 HB3 GLN 5 3HB GLN 5 3.696 3.554 -8.337 37 HG2 GLN 5 2HG GLN 5 3.762 1.639 -6.783 38 HG3 GLN 5 3HG GLN 5 2.316 0.968 -7.542 39 HE21 GLN 5 1HE2 GLN 5 5.702 1.764 -8.064 40 HE22 GLN 5 2HE2 GLN 5 5.941 0.697 -9.400 41 H ILE 6 H ILE 6 1.113 2.743 -4.980 42 HA ILE 6 HA ILE 6 3.095 4.039 -3.201 43 HB ILE 6 HB ILE 6 0.503 2.571 -2.489 44 HG12 ILE 6 2HG1 ILE 6 0.891 5.590 -2.608 45 HG13 ILE 6 3HG1 ILE 6 0.116 4.649 -3.878 46 HG21 ILE 6 1HG2 ILE 6 2.116 2.630 -0.632 47 HG22 ILE 6 2HG2 ILE 6 0.718 3.644 -0.274 48 HG23 ILE 6 3HG2 ILE 6 2.236 4.388 -0.774 49 HD11 ILE 6 3HD1 ILE 6 -1.531 5.690 -2.492 50 HD12 ILE 6 1HD1 ILE 6 -0.853 4.951 -1.043 51 HD13 ILE 6 2HD1 ILE 6 -1.606 3.943 -2.283 52 H LYS 7 H LYS 7 4.861 2.660 -2.941 53 HA LYS 7 HA LYS 7 4.349 -0.250 -2.660 54 HB2 LYS 7 2HB LYS 7 6.884 1.170 -3.565 55 HB3 LYS 7 3HB LYS 7 6.733 -0.569 -3.316 56 HG2 LYS 7 2HG LYS 7 4.983 -0.671 -5.066 57 HG3 LYS 7 3HG LYS 7 5.149 1.068 -5.329 58 HD2 LYS 7 2HD LYS 7 7.374 -0.957 -5.695 59 HD3 LYS 7 3HD LYS 7 6.393 -0.302 -7.007 60 HE2 LYS 7 2HE LYS 7 7.234 1.952 -6.535 61 HE3 LYS 7 3HE LYS 7 8.158 1.337 -5.160 62 HZ1 LYS 7 3HZ LYS 7 9.406 -0.063 -6.735 63 HZ2 LYS 7 1HZ LYS 7 9.590 1.591 -7.050 64 HZ3 LYS 7 2HZ LYS 7 8.572 0.651 -8.018 65 H ILE 8 H ILE 8 4.374 -0.905 -0.706 66 HA ILE 8 HA ILE 8 5.503 0.698 1.483 67 HB ILE 8 HB ILE 8 3.508 -1.625 1.537 68 HG12 ILE 8 2HG1 ILE 8 2.758 1.329 1.682 69 HG13 ILE 8 3HG1 ILE 8 2.770 0.441 0.166 70 HG21 ILE 8 1HG2 ILE 8 4.127 0.468 3.647 71 HG22 ILE 8 2HG2 ILE 8 4.605 -1.230 3.702 72 HG23 ILE 8 3HG2 ILE 8 2.897 -0.790 3.775 73 HD11 ILE 8 3HD1 ILE 8 0.539 0.627 1.089 74 HD12 ILE 8 1HD1 ILE 8 1.042 -0.215 2.554 75 HD13 ILE 8 2HD1 ILE 8 1.051 -1.054 1.002 76 H TYR 9 H TYR 9 7.574 -0.016 1.952 77 HA TYR 9 HA TYR 9 8.247 -2.886 1.785 78 HB2 TYR 9 2HB TYR 9 10.117 -0.482 2.049 79 HB3 TYR 9 3HB TYR 9 10.601 -2.151 1.777 80 HD1 TYR 9 HD2 TYR 9 9.991 -3.257 -0.455 81 HD2 TYR 9 HD1 TYR 9 9.579 0.952 0.191 82 HE1 TYR 9 HE2 TYR 9 9.937 -2.881 -2.887 83 HE2 TYR 9 HE1 TYR 9 9.531 1.319 -2.240 84 HH TYR 9 HH TYR 9 10.319 0.164 -4.293 85 H SER 10 H SER 10 7.667 -3.758 3.733 86 HA SER 10 HA SER 10 9.283 -2.902 6.062 87 HB2 SER 10 2HB SER 10 6.924 -2.208 6.508 88 HB3 SER 10 3HB SER 10 6.382 -3.853 6.202 89 HG SER 10 HG SER 10 6.936 -2.970 8.490 90 H GLU 11 H GLU 11 9.584 -4.773 7.561 91 HA GLU 11 HA GLU 11 9.900 -7.298 6.111 92 HB2 GLU 11 2HB GLU 11 11.686 -6.297 7.616 93 HB3 GLU 11 3HB GLU 11 10.650 -6.611 8.994 94 HG2 GLU 11 2HG GLU 11 11.551 -8.841 7.153 95 HG3 GLU 11 3HG GLU 11 12.565 -8.272 8.469 96 H ASN 12 H ASN 12 7.926 -5.773 8.571 97 HA ASN 12 HA ASN 12 6.747 -8.120 9.679 98 HB2 ASN 12 2HB ASN 12 5.995 -5.177 9.862 99 HB3 ASN 12 3HB ASN 12 5.127 -6.445 10.722 100 HD21 ASN 12 1HD2 ASN 12 5.655 -5.751 12.763 101 HD22 ASN 12 2HD2 ASN 12 7.264 -5.798 13.404 102 H GLU 13 H GLU 13 4.747 -9.014 9.383 103 HA GLU 13 HA GLU 13 3.525 -8.596 6.734 104 HB2 GLU 13 2HB GLU 13 2.510 -10.984 7.358 105 HB3 GLU 13 3HB GLU 13 4.141 -10.819 6.730 106 HG2 GLU 13 2HG GLU 13 4.027 -12.451 8.561 107 HG3 GLU 13 3HG GLU 13 5.084 -11.104 8.955 108 H ARG 14 H ARG 14 2.739 -8.578 10.180 109 HA ARG 14 HA ARG 14 -0.073 -8.727 10.009 110 HB2 ARG 14 2HB ARG 14 0.845 -9.173 12.142 111 HB3 ARG 14 3HB ARG 14 1.845 -7.736 12.136 112 HG2 ARG 14 2HG ARG 14 -1.135 -7.348 12.204 113 HG3 ARG 14 3HG ARG 14 -0.353 -7.943 13.666 114 HD2 ARG 14 2HD ARG 14 0.854 -5.968 13.994 115 HD3 ARG 14 3HD ARG 14 0.784 -5.503 12.297 116 HE ARG 14 HE ARG 14 -1.817 -5.436 13.402 117 HH11 ARG 14 1HH1 ARG 14 1.240 -3.690 13.534 118 HH12 ARG 14 2HH1 ARG 14 0.494 -2.173 13.936 119 HH21 ARG 14 1HH2 ARG 14 -2.781 -3.407 13.862 120 HH22 ARG 14 2HH2 ARG 14 -1.775 -2.014 14.119 121 H GLU 15 H GLU 15 2.140 -5.987 9.830 122 HA GLU 15 HA GLU 15 0.412 -3.815 9.833 123 HB2 GLU 15 2HB GLU 15 2.779 -4.123 7.934 124 HB3 GLU 15 3HB GLU 15 2.114 -2.617 8.545 125 HG2 GLU 15 2HG GLU 15 3.690 -4.692 10.074 126 HG3 GLU 15 3HG GLU 15 4.206 -3.065 9.626 127 H PHE 16 H PHE 16 1.368 -5.960 7.236 128 HA PHE 16 HA PHE 16 0.021 -4.629 5.107 129 HB2 PHE 16 2HB PHE 16 1.465 -7.304 5.342 130 HB3 PHE 16 3HB PHE 16 0.674 -6.802 3.846 131 HD1 PHE 16 HD2 PHE 16 2.747 -4.884 6.335 132 HD2 PHE 16 HD1 PHE 16 2.351 -6.249 2.313 133 HE1 PHE 16 HE2 PHE 16 4.694 -3.560 5.698 134 HE2 PHE 16 HE1 PHE 16 4.303 -4.914 1.689 135 HZ PHE 16 HZ PHE 16 5.480 -3.563 3.373 136 H ARG 17 H ARG 17 -0.767 -7.294 7.279 137 HA ARG 17 HA ARG 17 -2.842 -8.524 5.864 138 HB2 ARG 17 2HB ARG 17 -2.612 -8.171 8.883 139 HB3 ARG 17 3HB ARG 17 -3.741 -9.260 8.079 140 HG2 ARG 17 2HG ARG 17 -1.762 -10.464 7.092 141 HG3 ARG 17 3HG ARG 17 -0.720 -9.459 8.102 142 HD2 ARG 17 2HD ARG 17 -2.017 -10.318 10.103 143 HD3 ARG 17 3HD ARG 17 -2.811 -11.459 9.015 144 HE ARG 17 HE ARG 17 0.092 -11.395 9.611 145 HH11 ARG 17 1HH1 ARG 17 -2.742 -13.265 8.662 146 HH12 ARG 17 2HH1 ARG 17 -1.883 -14.771 8.688 147 HH21 ARG 17 1HH2 ARG 17 1.165 -13.371 9.686 148 HH22 ARG 17 2HH2 ARG 17 0.319 -14.832 9.265 149 H GLU 18 H GLU 18 -2.982 -5.829 8.193 150 HA GLU 18 HA GLU 18 -5.789 -5.426 8.067 151 HB2 GLU 18 2HB GLU 18 -3.563 -3.559 8.969 152 HB3 GLU 18 3HB GLU 18 -5.279 -3.220 9.174 153 HG2 GLU 18 2HG GLU 18 -5.443 -5.383 10.507 154 HG3 GLU 18 3HG GLU 18 -3.682 -5.455 10.453 155 H LEU 19 H LEU 19 -3.106 -4.135 6.164 156 HA LEU 19 HA LEU 19 -4.651 -2.251 4.684 157 HB2 LEU 19 2HB LEU 19 -1.912 -3.449 4.352 158 HB3 LEU 19 3HB LEU 19 -2.638 -2.693 2.946 159 HG LEU 19 HG LEU 19 -1.147 -1.121 4.097 160 HD11 LEU 19 1HD1 LEU 19 -3.069 -0.166 2.913 161 HD12 LEU 19 2HD1 LEU 19 -2.635 0.812 4.311 162 HD13 LEU 19 3HD1 LEU 19 -4.045 -0.247 4.385 163 HD21 LEU 19 3HD2 LEU 19 -1.285 -1.978 6.392 164 HD22 LEU 19 1HD2 LEU 19 -2.939 -1.379 6.540 165 HD23 LEU 19 2HD2 LEU 19 -1.597 -0.246 6.347 166 H ILE 20 H ILE 20 -3.911 -5.719 4.164 167 HA ILE 20 HA ILE 20 -5.004 -5.954 1.543 168 HB ILE 20 HB ILE 20 -4.874 -8.113 3.715 169 HG12 ILE 20 2HG1 ILE 20 -2.608 -7.286 3.211 170 HG13 ILE 20 3HG1 ILE 20 -2.805 -8.924 2.614 171 HG21 ILE 20 1HG2 ILE 20 -6.467 -8.766 1.975 172 HG22 ILE 20 2HG2 ILE 20 -5.023 -9.770 1.872 173 HG23 ILE 20 3HG2 ILE 20 -5.268 -8.460 0.715 174 HD11 ILE 20 3HD1 ILE 20 -3.111 -8.010 0.341 175 HD12 ILE 20 1HD1 ILE 20 -1.554 -7.616 1.066 176 HD13 ILE 20 2HD1 ILE 20 -2.818 -6.392 0.989 177 H GLU 21 H GLU 21 -6.339 -6.550 4.779 178 HA GLU 21 HA GLU 21 -8.964 -7.286 4.174 179 HB2 GLU 21 2HB GLU 21 -7.886 -5.823 6.623 180 HB3 GLU 21 3HB GLU 21 -9.472 -6.583 6.537 181 HG2 GLU 21 2HG GLU 21 -8.422 -8.795 6.293 182 HG3 GLU 21 3HG GLU 21 -6.822 -8.061 6.303 183 H ARG 22 H ARG 22 -7.532 -4.072 4.753 184 HA ARG 22 HA ARG 22 -9.852 -2.494 4.568 185 HB2 ARG 22 2HB ARG 22 -6.899 -1.954 4.234 186 HB3 ARG 22 3HB ARG 22 -8.005 -0.731 3.633 187 HG2 ARG 22 2HG ARG 22 -7.922 -1.746 6.493 188 HG3 ARG 22 3HG ARG 22 -7.217 -0.233 5.917 189 HD2 ARG 22 2HD ARG 22 -9.519 0.479 5.176 190 HD3 ARG 22 3HD ARG 22 -10.157 -0.977 5.938 191 HE ARG 22 HE ARG 22 -9.273 -0.072 8.080 192 HH11 ARG 22 1HH1 ARG 22 -9.999 2.154 5.455 193 HH12 ARG 22 2HH1 ARG 22 -10.283 3.495 6.511 194 HH21 ARG 22 1HH2 ARG 22 -9.726 1.691 9.452 195 HH22 ARG 22 2HH2 ARG 22 -10.130 3.234 8.768 196 H LEU 23 H LEU 23 -7.438 -3.256 2.016 197 HA LEU 23 HA LEU 23 -8.720 -1.721 -0.010 198 HB2 LEU 23 2HB LEU 23 -6.629 -3.906 -0.337 199 HB3 LEU 23 3HB LEU 23 -7.049 -2.699 -1.541 200 HG LEU 23 HG LEU 23 -5.704 -2.155 1.129 201 HD11 LEU 23 1HD1 LEU 23 -4.198 -3.239 -0.441 202 HD12 LEU 23 2HD1 LEU 23 -3.721 -1.565 -0.179 203 HD13 LEU 23 3HD1 LEU 23 -4.553 -2.020 -1.669 204 HD21 LEU 23 3HD2 LEU 23 -5.426 0.180 0.339 205 HD22 LEU 23 1HD2 LEU 23 -7.113 -0.263 0.595 206 HD23 LEU 23 2HD2 LEU 23 -6.464 -0.180 -1.040 207 H GLU 24 H GLU 24 -9.128 -5.017 1.032 208 HA GLU 24 HA GLU 24 -10.583 -5.955 -1.263 209 HB2 GLU 24 2HB GLU 24 -10.232 -7.018 1.559 210 HB3 GLU 24 3HB GLU 24 -11.324 -7.795 0.418 211 HG2 GLU 24 2HG GLU 24 -8.340 -7.427 0.065 212 HG3 GLU 24 3HG GLU 24 -9.169 -8.933 0.457 213 H GLU 25 H GLU 25 -11.489 -4.459 1.832 214 HA GLU 25 HA GLU 25 -14.337 -4.657 1.326 215 HB2 GLU 25 2HB GLU 25 -12.829 -2.922 3.339 216 HB3 GLU 25 3HB GLU 25 -14.568 -3.177 3.310 217 HG2 GLU 25 2HG GLU 25 -12.502 -5.335 3.812 218 HG3 GLU 25 3HG GLU 25 -13.427 -4.501 5.056 219 H GLU 26 H GLU 26 -11.790 -2.402 0.519 220 HA GLU 26 HA GLU 26 -13.389 -0.081 0.099 221 HB2 GLU 26 2HB GLU 26 -10.664 -0.757 -1.091 222 HB3 GLU 26 3HB GLU 26 -11.442 0.815 -1.204 223 HG2 GLU 26 2HG GLU 26 -10.347 -0.538 1.262 224 HG3 GLU 26 3HG GLU 26 -9.808 0.964 0.529 225 H ARG 27 H ARG 27 -14.168 0.837 -1.739 226 HA ARG 27 HA ARG 27 -14.658 -0.937 -4.056 227 HB2 ARG 27 2HB ARG 27 -16.514 1.151 -2.809 228 HB3 ARG 27 3HB ARG 27 -16.868 0.240 -4.274 229 HG2 ARG 27 2HG ARG 27 -16.481 -0.956 -1.507 230 HG3 ARG 27 3HG ARG 27 -18.032 -0.697 -2.306 231 HD2 ARG 27 2HD ARG 27 -17.449 -2.313 -4.045 232 HD3 ARG 27 3HD ARG 27 -15.829 -2.506 -3.371 233 HE ARG 27 HE ARG 27 -18.352 -3.447 -2.149 234 HH11 ARG 27 1HH1 ARG 27 -14.837 -3.574 -2.311 235 HH12 ARG 27 2HH1 ARG 27 -14.723 -4.952 -1.267 236 HH21 ARG 27 1HH2 ARG 27 -18.191 -5.267 -0.813 237 HH22 ARG 27 2HH2 ARG 27 -16.629 -5.916 -0.413 238 HA PRO 28 HA PRO 28 -15.664 -0.560 -6.237 239 HB2 PRO 28 2HB PRO 28 -14.052 -0.401 -8.695 240 HB3 PRO 28 3HB PRO 28 -15.755 0.034 -8.464 241 HG2 PRO 28 2HG PRO 28 -13.808 1.880 -8.971 242 HG3 PRO 28 3HG PRO 28 -15.294 2.248 -8.069 243 HD2 PRO 28 2HD PRO 28 -12.534 1.661 -6.993 244 HD3 PRO 28 3HD PRO 28 -13.699 2.909 -6.487 245 H SER 29 H SER 29 -12.246 -0.504 -7.299 246 HA SER 29 HA SER 29 -11.638 -3.047 -6.008 247 HB2 SER 29 2HB SER 29 -12.572 -3.845 -8.125 248 HB3 SER 29 3HB SER 29 -11.644 -2.661 -9.044 249 HG SER 29 HG SER 29 -9.790 -3.759 -8.596 250 H VAL 30 H VAL 30 -9.807 -2.437 -4.965 251 HA VAL 30 HA VAL 30 -7.997 -0.447 -6.093 252 HB VAL 30 HB VAL 30 -7.789 -1.971 -3.443 253 HG11 VAL 30 1HG1 VAL 30 -6.119 -0.239 -2.819 254 HG12 VAL 30 2HG1 VAL 30 -6.222 0.445 -4.438 255 HG13 VAL 30 3HG1 VAL 30 -5.585 -1.184 -4.207 256 HG21 VAL 30 3HG2 VAL 30 -8.596 0.116 -2.388 257 HG22 VAL 30 1HG2 VAL 30 -9.791 -0.533 -3.514 258 HG23 VAL 30 2HG2 VAL 30 -8.798 0.850 -3.980 259 H GLN 31 H GLN 31 -6.322 -1.000 -7.331 260 HA GLN 31 HA GLN 31 -5.581 -3.771 -7.756 261 HB2 GLN 31 2HB GLN 31 -4.421 -1.219 -8.958 262 HB3 GLN 31 3HB GLN 31 -4.106 -2.856 -9.522 263 HG2 GLN 31 2HG GLN 31 -6.715 -1.328 -9.675 264 HG3 GLN 31 3HG GLN 31 -5.690 -1.826 -11.019 265 HE21 GLN 31 1HE2 GLN 31 -5.601 -4.092 -11.530 266 HE22 GLN 31 2HE2 GLN 31 -6.906 -5.139 -11.116 267 H TYR 32 H TYR 32 -3.940 -4.788 -6.735 268 HA TYR 32 HA TYR 32 -1.534 -3.445 -5.921 269 HB2 TYR 32 2HB TYR 32 -1.675 -3.825 -3.524 270 HB3 TYR 32 3HB TYR 32 -3.052 -2.862 -4.030 271 HD1 TYR 32 HD1 TYR 32 -5.363 -3.837 -3.964 272 HD2 TYR 32 HD2 TYR 32 -1.975 -6.084 -2.634 273 HE1 TYR 32 HE1 TYR 32 -6.858 -5.431 -2.832 274 HE2 TYR 32 HE2 TYR 32 -3.467 -7.663 -1.515 275 HH TYR 32 HH TYR 32 -6.823 -7.727 -2.025 276 H THR 33 H THR 33 0.036 -4.952 -4.898 277 HA THR 33 HA THR 33 -0.420 -7.822 -5.188 278 HB THR 33 HB THR 33 1.800 -6.411 -6.762 279 HG1 THR 33 HG1 THR 33 -0.679 -7.556 -7.476 280 HG21 THR 33 3HG2 THR 33 1.177 -9.387 -6.522 281 HG22 THR 33 1HG2 THR 33 2.622 -8.575 -5.906 282 HG23 THR 33 2HG2 THR 33 2.342 -8.685 -7.643 283 H GLU 34 H GLU 34 0.307 -8.610 -3.280 284 HA GLU 34 HA GLU 34 2.535 -7.448 -1.798 285 HB2 GLU 34 2HB GLU 34 0.432 -8.433 -0.719 286 HB3 GLU 34 3HB GLU 34 0.979 -10.020 -1.220 287 HG2 GLU 34 2HG GLU 34 2.578 -8.214 0.621 288 HG3 GLU 34 3HG GLU 34 1.418 -9.394 1.209 289 H THR 35 H THR 35 4.589 -8.187 -1.917 290 HA THR 35 HA THR 35 5.282 -10.781 -3.097 291 HB THR 35 HB THR 35 6.390 -8.123 -4.155 292 HG1 THR 35 HG1 THR 35 4.278 -9.666 -4.946 293 HG21 THR 35 3HG2 THR 35 7.606 -9.461 -5.811 294 HG22 THR 35 1HG2 THR 35 6.985 -10.951 -5.101 295 HG23 THR 35 2HG2 THR 35 8.096 -9.931 -4.182 296 H THR 36 H THR 36 6.818 -11.667 -1.765 297 HA THR 36 HA THR 36 8.208 -9.961 0.186 298 HB THR 36 HB THR 36 8.293 -13.001 -0.026 299 HG1 THR 36 HG1 THR 36 6.284 -11.294 0.817 300 HG21 THR 36 3HG2 THR 36 10.046 -12.019 1.438 301 HG22 THR 36 1HG2 THR 36 8.842 -12.893 2.389 302 HG23 THR 36 2HG2 THR 36 8.805 -11.131 2.326 303 H ARG 37 H ARG 37 9.911 -8.974 -0.776 304 HA ARG 37 HA ARG 37 11.795 -10.533 -2.448 305 HB2 ARG 37 2HB ARG 37 10.804 -8.495 -3.493 306 HB3 ARG 37 3HB ARG 37 11.456 -7.505 -2.191 307 HG2 ARG 37 2HG ARG 37 13.748 -8.104 -2.884 308 HG3 ARG 37 3HG ARG 37 13.098 -9.105 -4.180 309 HD2 ARG 37 2HD ARG 37 12.123 -7.089 -5.241 310 HD3 ARG 37 3HD ARG 37 12.777 -6.092 -3.931 311 HE ARG 37 HE ARG 37 14.873 -7.595 -5.072 312 HH11 ARG 37 1HH1 ARG 37 12.797 -4.878 -5.935 313 HH12 ARG 37 2HH1 ARG 37 13.966 -4.181 -7.008 314 HH21 ARG 37 1HH2 ARG 37 16.391 -6.660 -6.469 315 HH22 ARG 37 2HH2 ARG 37 16.004 -5.193 -7.308 316 H ASN 38 H ASN 38 13.253 -11.434 -1.146 317 HA ASN 38 HA ASN 38 14.989 -11.769 0.256 318 HB2 ASN 38 2HB ASN 38 15.381 -8.777 -0.199 319 HB3 ASN 38 3HB ASN 38 16.529 -9.766 0.693 320 HD21 ASN 38 1HD2 ASN 38 15.133 -9.156 -2.443 321 HD22 ASN 38 2HD2 ASN 38 16.326 -9.993 -3.358 322 H GLY 39 H GLY 39 12.344 -11.234 1.382 323 HA2 GLY 39 2HA GLY 39 11.679 -11.528 3.626 324 HA3 GLY 39 3HA GLY 39 13.153 -10.748 4.174 325 H ARG 40 H ARG 40 12.355 -8.668 1.907 326 HA ARG 40 HA ARG 40 10.821 -6.926 3.654 327 HB2 ARG 40 2HB ARG 40 12.002 -6.474 0.873 328 HB3 ARG 40 3HB ARG 40 10.987 -5.294 1.682 329 HG2 ARG 40 2HG ARG 40 13.151 -4.510 2.035 330 HG3 ARG 40 3HG ARG 40 12.750 -5.289 3.558 331 HD2 ARG 40 2HD ARG 40 14.323 -6.719 1.401 332 HD3 ARG 40 3HD ARG 40 15.108 -5.664 2.571 333 HE ARG 40 HE ARG 40 13.850 -8.249 3.088 334 HH11 ARG 40 1HH1 ARG 40 15.623 -5.509 4.416 335 HH12 ARG 40 2HH1 ARG 40 16.040 -6.349 5.878 336 HH21 ARG 40 1HH2 ARG 40 14.420 -9.323 4.999 337 HH22 ARG 40 2HH2 ARG 40 15.357 -8.501 6.203 338 H ARG 41 H ARG 41 8.738 -7.624 3.752 339 HA ARG 41 HA ARG 41 7.015 -8.335 1.626 340 HB2 ARG 41 2HB ARG 41 6.447 -6.837 4.240 341 HB3 ARG 41 3HB ARG 41 5.193 -7.463 3.180 342 HG2 ARG 41 2HG ARG 41 7.258 -9.172 4.609 343 HG3 ARG 41 3HG ARG 41 5.606 -8.900 5.169 344 HD2 ARG 41 2HD ARG 41 4.750 -9.916 3.074 345 HD3 ARG 41 3HD ARG 41 6.410 -10.221 2.558 346 HE ARG 41 HE ARG 41 6.256 -11.484 4.959 347 HH11 ARG 41 1HH1 ARG 41 4.320 -11.678 2.011 348 HH12 ARG 41 2HH1 ARG 41 3.895 -13.345 2.262 349 HH21 ARG 41 1HH2 ARG 41 5.700 -13.686 5.244 350 HH22 ARG 41 2HH2 ARG 41 4.676 -14.477 4.089 351 H GLN 42 H GLN 42 6.767 -7.067 -0.184 352 HA GLN 42 HA GLN 42 6.483 -4.143 0.156 353 HB2 GLN 42 2HB GLN 42 7.108 -3.841 -2.198 354 HB3 GLN 42 3HB GLN 42 8.380 -4.667 -1.314 355 HG2 GLN 42 2HG GLN 42 7.783 -6.783 -2.340 356 HG3 GLN 42 3HG GLN 42 6.395 -6.050 -3.140 357 HE21 GLN 42 1HE2 GLN 42 6.750 -4.687 -4.936 358 HE22 GLN 42 2HE2 GLN 42 8.254 -4.673 -5.787 359 H LEU 43 H LEU 43 4.479 -3.436 0.038 360 HA LEU 43 HA LEU 43 2.427 -4.949 -1.448 361 HB2 LEU 43 2HB LEU 43 2.300 -3.885 1.076 362 HB3 LEU 43 3HB LEU 43 1.693 -2.521 0.173 363 HG LEU 43 HG LEU 43 -0.152 -3.857 1.023 364 HD11 LEU 43 1HD1 LEU 43 -1.433 -4.316 -1.001 365 HD12 LEU 43 2HD1 LEU 43 0.042 -4.192 -1.967 366 HD13 LEU 43 3HD1 LEU 43 -0.568 -2.787 -1.096 367 HD21 LEU 43 3HD2 LEU 43 -0.534 -6.180 0.321 368 HD22 LEU 43 1HD2 LEU 43 0.940 -6.001 1.263 369 HD23 LEU 43 2HD2 LEU 43 1.031 -6.190 -0.489 370 H THR 44 H THR 44 2.343 -4.322 -3.495 371 HA THR 44 HA THR 44 3.175 -1.605 -4.294 372 HB THR 44 HB THR 44 2.886 -4.164 -5.961 373 HG1 THR 44 HG1 THR 44 4.639 -4.003 -4.307 374 HG21 THR 44 3HG2 THR 44 4.141 -2.940 -7.706 375 HG22 THR 44 1HG2 THR 44 4.136 -1.485 -6.709 376 HG23 THR 44 2HG2 THR 44 2.618 -2.122 -7.353 377 H ILE 45 H ILE 45 1.384 -0.377 -4.168 378 HA ILE 45 HA ILE 45 -1.256 -1.335 -5.085 379 HB ILE 45 HB ILE 45 -0.518 1.168 -3.464 380 HG12 ILE 45 2HG1 ILE 45 -1.710 -1.464 -2.485 381 HG13 ILE 45 3HG1 ILE 45 -0.038 -0.971 -2.256 382 HG21 ILE 45 1HG2 ILE 45 -2.615 1.455 -4.729 383 HG22 ILE 45 2HG2 ILE 45 -2.945 1.347 -3.000 384 HG23 ILE 45 3HG2 ILE 45 -3.251 -0.043 -4.042 385 HD11 ILE 45 3HD1 ILE 45 -2.470 0.348 -1.074 386 HD12 ILE 45 1HD1 ILE 45 -0.806 0.919 -0.893 387 HD13 ILE 45 2HD1 ILE 45 -1.277 -0.652 -0.247 388 H ARG 46 H ARG 46 -1.987 -0.570 -7.017 389 HA ARG 46 HA ARG 46 -0.694 1.805 -8.224 390 HB2 ARG 46 2HB ARG 46 -1.990 -0.613 -9.569 391 HB3 ARG 46 3HB ARG 46 -1.363 0.798 -10.425 392 HG2 ARG 46 2HG ARG 46 0.903 0.333 -9.541 393 HG3 ARG 46 3HG ARG 46 0.278 -1.078 -8.690 394 HD2 ARG 46 2HD ARG 46 -0.266 -2.158 -10.829 395 HD3 ARG 46 3HD ARG 46 0.290 -0.727 -11.712 396 HE ARG 46 HE ARG 46 2.407 -1.500 -10.112 397 HH11 ARG 46 1HH1 ARG 46 0.596 -3.012 -12.741 398 HH12 ARG 46 2HH1 ARG 46 1.946 -3.971 -13.264 399 HH21 ARG 46 1HH2 ARG 46 4.158 -2.743 -10.823 400 HH22 ARG 46 2HH2 ARG 46 3.963 -3.815 -12.176 401 H SER 47 H SER 47 -1.980 3.395 -9.075 402 HA SER 47 HA SER 47 -4.858 3.374 -8.528 403 HB2 SER 47 2HB SER 47 -3.815 4.158 -6.434 404 HB3 SER 47 3HB SER 47 -2.892 5.370 -7.324 405 HG SER 47 HG SER 47 -5.728 5.231 -7.152 406 H ASN 48 H ASN 48 -6.023 4.695 -9.850 407 HA ASN 48 HA ASN 48 -4.580 6.053 -12.059 408 HB2 ASN 48 2HB ASN 48 -6.581 5.660 -13.429 409 HB3 ASN 48 3HB ASN 48 -6.023 4.143 -12.735 410 HD21 ASN 48 1HD2 ASN 48 -8.733 5.137 -13.683 411 HD22 ASN 48 2HD2 ASN 48 -9.796 4.751 -12.377 412 H ASP 49 H ASP 49 -5.709 7.065 -9.239 413 HA ASP 49 HA ASP 49 -6.783 9.614 -10.269 414 HB2 ASP 49 2HB ASP 49 -8.733 8.085 -9.788 415 HB3 ASP 49 3HB ASP 49 -8.214 7.987 -8.114 416 H LYS 50 H LYS 50 -6.357 11.401 -8.944 417 HA LYS 50 HA LYS 50 -4.131 11.263 -7.200 418 HB2 LYS 50 2HB LYS 50 -5.989 13.479 -8.045 419 HB3 LYS 50 3HB LYS 50 -4.973 13.769 -6.643 420 HG2 LYS 50 2HG LYS 50 -3.972 13.039 -9.416 421 HG3 LYS 50 3HG LYS 50 -3.983 14.659 -8.713 422 HD2 LYS 50 2HD LYS 50 -2.476 13.803 -6.876 423 HD3 LYS 50 3HD LYS 50 -2.385 12.263 -7.734 424 HE2 LYS 50 2HE LYS 50 -1.393 13.446 -9.688 425 HE3 LYS 50 3HE LYS 50 -1.417 14.953 -8.765 426 HZ1 LYS 50 3HZ LYS 50 0.011 12.493 -7.906 427 HZ2 LYS 50 1HZ LYS 50 0.090 14.014 -7.174 428 HZ3 LYS 50 2HZ LYS 50 0.748 13.778 -8.715 429 H ASN 51 H ASN 51 -7.615 11.731 -6.485 430 HA ASN 51 HA ASN 51 -7.260 12.113 -3.665 431 HB2 ASN 51 2HB ASN 51 -9.763 11.240 -5.184 432 HB3 ASN 51 3HB ASN 51 -9.732 11.751 -3.500 433 HD21 ASN 51 1HD2 ASN 51 -9.644 12.774 -6.788 434 HD22 ASN 51 2HD2 ASN 51 -9.754 14.474 -6.488 435 H GLU 52 H GLU 52 -7.718 9.307 -5.723 436 HA GLU 52 HA GLU 52 -8.288 7.403 -3.699 437 HB2 GLU 52 2HB GLU 52 -8.785 7.010 -6.102 438 HB3 GLU 52 3HB GLU 52 -7.062 6.965 -6.452 439 HG2 GLU 52 2HG GLU 52 -7.857 4.710 -6.400 440 HG3 GLU 52 3HG GLU 52 -6.862 4.950 -4.972 441 H VAL 53 H VAL 53 -5.222 8.044 -5.506 442 HA VAL 53 HA VAL 53 -3.595 6.317 -4.022 443 HB VAL 53 HB VAL 53 -2.893 7.238 -6.216 444 HG11 VAL 53 1HG1 VAL 53 -3.617 9.564 -5.986 445 HG12 VAL 53 2HG1 VAL 53 -1.914 9.477 -6.446 446 HG13 VAL 53 3HG1 VAL 53 -2.365 9.852 -4.779 447 HG21 VAL 53 3HG2 VAL 53 -1.174 6.237 -4.800 448 HG22 VAL 53 1HG2 VAL 53 -0.893 7.780 -3.995 449 HG23 VAL 53 2HG2 VAL 53 -0.488 7.589 -5.702 450 H ASP 54 H ASP 54 -4.524 9.668 -3.402 451 HA ASP 54 HA ASP 54 -2.629 10.244 -1.360 452 HB2 ASP 54 2HB ASP 54 -3.937 11.949 -2.698 453 HB3 ASP 54 3HB ASP 54 -5.370 11.525 -1.769 454 H ARG 55 H ARG 55 -5.939 8.963 -1.314 455 HA ARG 55 HA ARG 55 -6.302 9.049 1.513 456 HB2 ARG 55 2HB ARG 55 -8.211 9.000 -0.072 457 HB3 ARG 55 3HB ARG 55 -7.754 7.375 -0.581 458 HG2 ARG 55 2HG ARG 55 -9.593 7.185 0.965 459 HG3 ARG 55 3HG ARG 55 -8.146 6.576 1.761 460 HD2 ARG 55 2HD ARG 55 -9.379 7.890 3.352 461 HD3 ARG 55 3HD ARG 55 -7.933 8.807 2.918 462 HE ARG 55 HE ARG 55 -10.274 9.465 1.352 463 HH11 ARG 55 1HH1 ARG 55 -8.555 10.234 4.334 464 HH12 ARG 55 2HH1 ARG 55 -9.282 11.804 4.470 465 HH21 ARG 55 1HH2 ARG 55 -11.215 11.521 1.577 466 HH22 ARG 55 2HH2 ARG 55 -10.777 12.530 2.922 467 H ILE 56 H ILE 56 -5.371 6.435 -0.736 468 HA ILE 56 HA ILE 56 -5.139 4.366 1.222 469 HB ILE 56 HB ILE 56 -3.831 4.571 -1.537 470 HG12 ILE 56 2HG1 ILE 56 -6.485 3.239 -0.792 471 HG13 ILE 56 3HG1 ILE 56 -6.340 4.790 -1.606 472 HG21 ILE 56 1HG2 ILE 56 -3.710 2.102 -1.461 473 HG22 ILE 56 2HG2 ILE 56 -4.348 2.122 0.184 474 HG23 ILE 56 3HG2 ILE 56 -2.772 2.841 -0.158 475 HD11 ILE 56 3HD1 ILE 56 -5.432 2.133 -2.714 476 HD12 ILE 56 1HD1 ILE 56 -5.289 3.698 -3.521 477 HD13 ILE 56 2HD1 ILE 56 -6.881 3.028 -3.171 478 H LEU 57 H LEU 57 -3.013 6.871 0.036 479 HA LEU 57 HA LEU 57 -0.518 5.911 0.934 480 HB2 LEU 57 2HB LEU 57 -0.918 7.740 -0.759 481 HB3 LEU 57 3HB LEU 57 -1.368 8.801 0.562 482 HG LEU 57 HG LEU 57 0.929 8.631 1.484 483 HD11 LEU 57 1HD1 LEU 57 1.501 6.383 0.753 484 HD12 LEU 57 2HD1 LEU 57 2.713 7.538 0.210 485 HD13 LEU 57 3HD1 LEU 57 1.524 6.907 -0.933 486 HD21 LEU 57 3HD2 LEU 57 0.875 9.421 -1.447 487 HD22 LEU 57 1HD2 LEU 57 2.072 9.936 -0.254 488 HD23 LEU 57 2HD2 LEU 57 0.393 10.445 -0.092 489 H GLU 58 H GLU 58 -2.752 8.330 2.377 490 HA GLU 58 HA GLU 58 -1.327 8.535 4.836 491 HB2 GLU 58 2HB GLU 58 -3.349 9.690 5.715 492 HB3 GLU 58 3HB GLU 58 -2.799 10.350 4.182 493 HG2 GLU 58 2HG GLU 58 -4.589 9.187 2.998 494 HG3 GLU 58 3HG GLU 58 -5.097 8.405 4.490 495 H GLU 59 H GLU 59 -3.723 6.249 3.673 496 HA GLU 59 HA GLU 59 -4.700 5.190 6.088 497 HB2 GLU 59 2HB GLU 59 -5.575 4.621 3.798 498 HB3 GLU 59 3HB GLU 59 -4.129 3.666 3.505 499 HG2 GLU 59 2HG GLU 59 -5.996 2.208 4.079 500 HG3 GLU 59 3HG GLU 59 -4.772 2.135 5.342 501 H VAL 60 H VAL 60 -1.993 3.990 4.068 502 HA VAL 60 HA VAL 60 -1.082 2.149 6.055 503 HB VAL 60 HB VAL 60 -0.647 1.681 3.706 504 HG11 VAL 60 1HG1 VAL 60 1.014 2.902 2.364 505 HG12 VAL 60 2HG1 VAL 60 1.212 4.080 3.665 506 HG13 VAL 60 3HG1 VAL 60 -0.335 3.947 2.823 507 HG21 VAL 60 3HG2 VAL 60 1.947 2.085 5.235 508 HG22 VAL 60 1HG2 VAL 60 1.706 0.990 3.870 509 HG23 VAL 60 2HG2 VAL 60 0.861 0.704 5.389 510 H ARG 61 H ARG 61 -0.103 5.495 5.243 511 HA ARG 61 HA ARG 61 2.341 5.365 6.756 512 HB2 ARG 61 2HB ARG 61 0.841 7.697 5.515 513 HB3 ARG 61 3HB ARG 61 2.348 7.905 6.404 514 HG2 ARG 61 2HG ARG 61 3.524 6.454 4.800 515 HG3 ARG 61 3HG ARG 61 2.018 6.191 3.914 516 HD2 ARG 61 2HD ARG 61 3.433 7.853 2.787 517 HD3 ARG 61 3HD ARG 61 1.926 8.582 3.341 518 HE ARG 61 HE ARG 61 3.365 9.352 5.330 519 HH11 ARG 61 1HH1 ARG 61 4.627 9.080 2.026 520 HH12 ARG 61 2HH1 ARG 61 5.823 10.314 2.280 521 HH21 ARG 61 1HH2 ARG 61 4.942 10.956 5.603 522 HH22 ARG 61 2HH2 ARG 61 6.001 11.370 4.294 523 H ARG 62 H ARG 62 -0.971 6.249 7.597 524 HA ARG 62 HA ARG 62 -0.200 7.479 10.136 525 HB2 ARG 62 2HB ARG 62 -2.946 6.768 9.003 526 HB3 ARG 62 3HB ARG 62 -2.711 7.522 10.575 527 HG2 ARG 62 2HG ARG 62 -1.909 8.720 7.914 528 HG3 ARG 62 3HG ARG 62 -3.344 9.153 8.839 529 HD2 ARG 62 2HD ARG 62 -0.494 9.502 9.829 530 HD3 ARG 62 3HD ARG 62 -1.462 10.772 9.081 531 HE ARG 62 HE ARG 62 -2.043 9.473 11.677 532 HH11 ARG 62 1HH1 ARG 62 -2.415 12.227 9.501 533 HH12 ARG 62 2HH1 ARG 62 -3.232 13.207 10.681 534 HH21 ARG 62 1HH2 ARG 62 -3.090 10.781 13.230 535 HH22 ARG 62 2HH2 ARG 62 -3.614 12.380 12.796 536 H LYS 63 H LYS 63 -1.691 4.424 9.021 537 HA LYS 63 HA LYS 63 -2.083 3.438 11.715 538 HB2 LYS 63 2HB LYS 63 -2.575 2.286 8.954 539 HB3 LYS 63 3HB LYS 63 -2.619 1.226 10.359 540 HG2 LYS 63 2HG LYS 63 -4.879 2.002 9.716 541 HG3 LYS 63 3HG LYS 63 -4.438 2.517 11.341 542 HD2 LYS 63 2HD LYS 63 -3.813 4.776 10.354 543 HD3 LYS 63 3HD LYS 63 -4.490 4.222 8.823 544 HE2 LYS 63 2HE LYS 63 -6.020 4.485 11.434 545 HE3 LYS 63 3HE LYS 63 -6.079 5.622 10.084 546 HZ1 LYS 63 3HZ LYS 63 -6.931 2.780 9.970 547 HZ2 LYS 63 1HZ LYS 63 -7.011 3.884 8.701 548 HZ3 LYS 63 2HZ LYS 63 -7.962 4.131 10.065 549 H VAL 64 H VAL 64 0.207 2.764 9.084 550 HA VAL 64 HA VAL 64 1.822 1.004 10.839 551 HB VAL 64 HB VAL 64 1.991 1.433 7.812 552 HG11 VAL 64 1HG1 VAL 64 4.155 0.757 8.760 553 HG12 VAL 64 2HG1 VAL 64 3.467 -0.532 7.773 554 HG13 VAL 64 3HG1 VAL 64 3.396 -0.640 9.532 555 HG21 VAL 64 3HG2 VAL 64 0.943 -0.775 7.562 556 HG22 VAL 64 1HG2 VAL 64 -0.124 0.326 8.438 557 HG23 VAL 64 2HG2 VAL 64 0.777 -0.915 9.314 558 HA PRO 65 HA PRO 65 4.665 4.656 10.893 559 HB2 PRO 65 2HB PRO 65 5.897 4.077 13.258 560 HB3 PRO 65 3HB PRO 65 4.282 4.812 13.201 561 HG2 PRO 65 2HG PRO 65 5.022 1.942 13.660 562 HG3 PRO 65 3HG PRO 65 3.809 2.936 14.498 563 HD2 PRO 65 2HD PRO 65 3.181 1.159 12.484 564 HD3 PRO 65 3HD PRO 65 2.210 2.600 12.858 565 H ASN 66 H ASN 66 5.287 1.205 11.149 566 HA ASN 66 HA ASN 66 8.177 1.551 10.637 567 HB2 ASN 66 2HB ASN 66 6.651 -0.864 11.721 568 HB3 ASN 66 3HB ASN 66 8.393 -0.799 11.464 569 HD21 ASN 66 1HD2 ASN 66 6.878 -1.240 13.956 570 HD22 ASN 66 2HD2 ASN 66 7.398 -0.012 15.050 571 H ALA 67 H ALA 67 7.437 2.116 8.407 572 HA ALA 67 HA ALA 67 8.064 -0.070 6.659 573 HB1 ALA 67 3HB ALA 67 6.050 0.017 5.224 574 HB2 ALA 67 1HB ALA 67 5.285 1.152 6.348 575 HB3 ALA 67 2HB ALA 67 5.638 -0.499 6.858 576 H ARG 68 H ARG 68 9.231 0.760 4.999 577 HA ARG 68 HA ARG 68 9.411 3.567 4.416 578 HB2 ARG 68 2HB ARG 68 11.335 1.938 4.178 579 HB3 ARG 68 3HB ARG 68 10.490 1.168 2.845 580 HG2 ARG 68 2HG ARG 68 11.983 2.547 1.707 581 HG3 ARG 68 3HG ARG 68 10.550 3.572 1.759 582 HD2 ARG 68 2HD ARG 68 12.993 3.740 3.550 583 HD3 ARG 68 3HD ARG 68 12.511 4.888 2.304 584 HE ARG 68 HE ARG 68 10.491 5.327 3.765 585 HH11 ARG 68 1HH1 ARG 68 13.550 4.289 5.194 586 HH12 ARG 68 2HH1 ARG 68 13.223 5.037 6.724 587 HH21 ARG 68 1HH2 ARG 68 10.090 6.309 5.780 588 HH22 ARG 68 2HH2 ARG 68 11.258 6.180 7.054 589 H VAL 69 H VAL 69 7.504 4.385 3.576 590 HA VAL 69 HA VAL 69 6.041 2.946 1.472 591 HB VAL 69 HB VAL 69 5.313 5.494 3.007 592 HG11 VAL 69 1HG1 VAL 69 3.624 3.815 1.121 593 HG12 VAL 69 2HG1 VAL 69 4.230 5.444 0.804 594 HG13 VAL 69 3HG1 VAL 69 3.044 5.177 2.083 595 HG21 VAL 69 3HG2 VAL 69 3.717 4.070 4.248 596 HG22 VAL 69 1HG2 VAL 69 5.372 3.496 4.472 597 HG23 VAL 69 2HG2 VAL 69 4.284 2.646 3.372 598 H ARG 70 H ARG 70 6.680 3.320 -0.552 599 HA ARG 70 HA ARG 70 8.120 5.806 -1.222 600 HB2 ARG 70 2HB ARG 70 8.990 3.197 -1.485 601 HB3 ARG 70 3HB ARG 70 8.303 3.447 -3.079 602 HG2 ARG 70 2HG ARG 70 10.477 5.143 -1.803 603 HG3 ARG 70 3HG ARG 70 10.731 3.874 -2.994 604 HD2 ARG 70 2HD ARG 70 10.876 5.943 -4.172 605 HD3 ARG 70 3HD ARG 70 9.323 5.236 -4.602 606 HE ARG 70 HE ARG 70 8.241 6.960 -3.535 607 HH11 ARG 70 1HH1 ARG 70 11.699 7.292 -2.948 608 HH12 ARG 70 2HH1 ARG 70 11.546 8.882 -2.270 609 HH21 ARG 70 1HH2 ARG 70 8.048 8.979 -2.527 610 HH22 ARG 70 2HH2 ARG 70 9.475 9.832 -2.035 611 H GLU 71 H GLU 71 6.773 7.212 -2.134 612 HA GLU 71 HA GLU 71 4.542 6.513 -3.856 613 HB2 GLU 71 2HB GLU 71 5.752 9.286 -3.406 614 HB3 GLU 71 3HB GLU 71 4.164 8.918 -4.065 615 HG2 GLU 71 2HG GLU 71 3.786 9.678 -1.853 616 HG3 GLU 71 3HG GLU 71 3.566 7.929 -1.807 617 H THR 72 H THR 72 5.117 5.722 -5.809 618 HA THR 72 HA THR 72 7.186 7.068 -7.445 619 HB THR 72 HB THR 72 7.105 4.870 -8.803 620 HG1 THR 72 HG1 THR 72 5.081 4.268 -7.457 621 HG21 THR 72 3HG2 THR 72 8.625 3.679 -7.284 622 HG22 THR 72 1HG2 THR 72 8.113 4.710 -5.942 623 HG23 THR 72 2HG2 THR 72 8.990 5.404 -7.308 624 H GLU 73 H GLU 73 6.233 8.483 -8.777 625 HA GLU 73 HA GLU 73 3.749 7.780 -10.214 626 HB2 GLU 73 2HB GLU 73 5.318 10.403 -10.185 627 HB3 GLU 73 3HB GLU 73 3.773 10.136 -10.988 628 HG2 GLU 73 2HG GLU 73 2.691 9.755 -8.798 629 HG3 GLU 73 3HG GLU 73 4.238 9.997 -7.991 630 H THR 74 H THR 74 4.398 6.301 -11.732 631 HA THR 74 HA THR 74 6.826 6.547 -13.281 632 HB THR 74 HB THR 74 4.493 4.668 -13.883 633 HG1 THR 74 HG1 THR 74 5.125 3.383 -12.263 634 HG21 THR 74 3HG2 THR 74 6.246 3.172 -14.754 635 HG22 THR 74 1HG2 THR 74 7.496 4.321 -14.277 636 HG23 THR 74 2HG2 THR 74 6.357 4.739 -15.559 637 H GLY 75 H GLY 75 6.946 7.182 -15.490 638 HA2 GLY 75 2HA GLY 75 5.568 7.778 -17.537 639 HA3 GLY 75 3HA GLY 75 4.600 8.769 -16.448 640 H SER 76 H SER 76 8.104 8.257 -16.836 641 HA SER 76 HA SER 76 8.748 11.059 -16.694 642 HB2 SER 76 2HB SER 76 10.277 9.286 -15.828 643 HB3 SER 76 3HB SER 76 10.459 8.636 -17.453 644 HG SER 76 HG SER 76 11.051 11.331 -17.149 645 H LEU 77 H LEU 77 7.410 11.869 -18.379 646 HA LEU 77 HA LEU 77 7.644 10.974 -21.127 647 HB2 LEU 77 2HB LEU 77 6.197 13.389 -19.954 648 HB3 LEU 77 3HB LEU 77 6.015 12.799 -21.597 649 HG LEU 77 HG LEU 77 5.154 11.303 -19.084 650 HD11 LEU 77 1HD1 LEU 77 3.739 13.257 -19.484 651 HD12 LEU 77 2HD1 LEU 77 2.849 11.772 -19.810 652 HD13 LEU 77 3HD1 LEU 77 3.457 12.746 -21.152 653 HD21 LEU 77 3HD2 LEU 77 4.767 10.570 -22.005 654 HD22 LEU 77 1HD2 LEU 77 4.044 9.729 -20.629 655 HD23 LEU 77 2HD2 LEU 77 5.794 9.735 -20.837 656 H GLU 78 H GLU 78 9.934 11.354 -21.454 657 HA GLU 78 HA GLU 78 10.878 14.130 -21.372 658 HB2 GLU 78 2HB GLU 78 12.443 11.633 -22.154 659 HB3 GLU 78 3HB GLU 78 13.103 13.231 -21.823 660 HG2 GLU 78 2HG GLU 78 11.946 11.236 -19.871 661 HG3 GLU 78 3HG GLU 78 13.556 11.953 -19.880 662 H HIS 79 H HIS 79 11.704 15.206 -23.167 663 HA HIS 79 HA HIS 79 10.344 14.691 -25.686 664 HB2 HIS 79 2HB HIS 79 12.252 16.933 -24.879 665 HB3 HIS 79 3HB HIS 79 11.307 16.887 -26.363 666 HD1 HIS 79 HD1 HIS 79 8.721 17.260 -26.139 667 HD2 HIS 79 HD2 HIS 79 10.847 17.787 -22.604 668 HE1 HIS 79 HE1 HIS 79 7.156 18.445 -24.582 669 HE2 HIS 79 HE2 HIS 79 8.395 18.563 -22.402 670 H HIS 80 H HIS 80 11.569 14.740 -27.755 671 HA HIS 80 HA HIS 80 13.457 12.590 -27.691 672 HB2 HIS 80 2HB HIS 80 13.363 12.660 -30.146 673 HB3 HIS 80 3HB HIS 80 11.746 12.765 -29.473 674 HD1 HIS 80 HD1 HIS 80 10.306 14.570 -30.396 675 HD2 HIS 80 HD2 HIS 80 14.328 15.308 -31.140 676 HE1 HIS 80 HE1 HIS 80 10.360 16.557 -31.922 677 HE2 HIS 80 HE2 HIS 80 12.795 17.043 -32.284 678 H HIS 81 H HIS 81 15.646 12.563 -28.181 679 HA HIS 81 HA HIS 81 17.136 14.999 -27.754 680 HB2 HIS 81 2HB HIS 81 18.002 12.882 -26.818 681 HB3 HIS 81 3HB HIS 81 18.120 12.182 -28.431 682 HD1 HIS 81 HD1 HIS 81 20.452 12.197 -29.266 683 HD2 HIS 81 HD2 HIS 81 19.734 15.462 -26.796 684 HE1 HIS 81 HE1 HIS 81 22.612 13.477 -29.202 685 HE2 HIS 81 HE2 HIS 81 22.162 15.423 -27.673 686 H HIS 82 H HIS 82 17.813 16.349 -29.256 687 HA HIS 82 HA HIS 82 17.505 16.025 -32.068 688 HB2 HIS 82 2HB HIS 82 17.489 18.230 -30.842 689 HB3 HIS 82 3HB HIS 82 19.211 18.055 -30.533 690 HD1 HIS 82 HD1 HIS 82 20.753 18.923 -32.303 691 HD2 HIS 82 HD2 HIS 82 16.842 18.598 -33.650 692 HE1 HIS 82 HE1 HIS 82 20.735 19.994 -34.570 693 HE2 HIS 82 HE2 HIS 82 18.383 19.686 -35.408 694 H HIS 83 H HIS 83 18.931 15.209 -33.524 695 HA HIS 83 HA HIS 83 21.087 13.536 -32.593 696 HB2 HIS 83 2HB HIS 83 20.007 14.017 -35.412 697 HB3 HIS 83 3HB HIS 83 21.155 12.754 -34.973 698 HD1 HIS 83 HD1 HIS 83 17.551 13.551 -35.030 699 HD2 HIS 83 HD2 HIS 83 20.007 10.636 -33.378 700 HE1 HIS 83 HE1 HIS 83 16.029 11.678 -34.364 701 HE2 HIS 83 HE2 HIS 83 17.507 10.041 -33.180 702 H HIS 84 H HIS 84 21.627 16.487 -32.464 703 HA HIS 84 HA HIS 84 24.367 16.307 -33.258 704 HB2 HIS 84 2HB HIS 84 23.313 17.160 -35.392 705 HB3 HIS 84 3HB HIS 84 22.707 18.560 -34.509 706 HD1 HIS 84 HD1 HIS 84 25.886 17.020 -35.802 707 HD2 HIS 84 HD2 HIS 84 24.629 20.573 -34.053 708 HE1 HIS 84 HE1 HIS 84 27.811 18.605 -36.027 709 HE2 HIS 84 HE2 HIS 84 26.924 20.805 -35.202 Start of MODEL 13 1 H1 MET 1 1H MET 1 -1.701 13.278 -13.522 2 H2 MET 1 2H MET 1 -2.690 12.124 -14.261 3 H3 MET 1 3H MET 1 -2.821 13.751 -14.697 4 HA MET 1 HA MET 1 -1.666 12.492 -16.365 5 HB2 MET 1 2HB MET 1 0.067 14.485 -14.838 6 HB3 MET 1 3HB MET 1 0.412 13.927 -16.474 7 HG2 MET 1 2HG MET 1 -2.070 15.441 -15.625 8 HG3 MET 1 3HG MET 1 -0.688 16.128 -16.486 9 HE1 MET 1 3HE MET 1 -3.618 15.986 -19.182 10 HE2 MET 1 1HE MET 1 -2.472 17.047 -18.360 11 HE3 MET 1 2HE MET 1 -3.785 16.294 -17.453 12 H GLY 2 H GLY 2 -1.039 10.427 -16.377 13 HA2 GLY 2 2HA GLY 2 0.500 8.689 -16.241 14 HA3 GLY 2 3HA GLY 2 1.440 9.608 -15.073 15 H GLN 3 H GLN 3 1.212 7.050 -14.478 16 HA GLN 3 HA GLN 3 -1.100 6.639 -12.677 17 HB2 GLN 3 2HB GLN 3 -0.635 4.885 -14.374 18 HB3 GLN 3 3HB GLN 3 0.966 4.636 -13.689 19 HG2 GLN 3 2HG GLN 3 -0.015 3.829 -11.599 20 HG3 GLN 3 3HG GLN 3 -1.639 4.182 -12.195 21 HE21 GLN 3 1HE2 GLN 3 -2.345 2.066 -12.014 22 HE22 GLN 3 2HE2 GLN 3 -1.791 0.786 -13.032 23 H TRP 4 H TRP 4 -0.852 6.490 -10.515 24 HA TRP 4 HA TRP 4 1.796 7.072 -9.336 25 HB2 TRP 4 2HB TRP 4 -1.021 7.423 -8.191 26 HB3 TRP 4 3HB TRP 4 0.477 7.876 -7.372 27 HD1 TRP 4 HD1 TRP 4 1.835 10.007 -8.369 28 HE1 TRP 4 HE1 TRP 4 1.116 11.961 -9.863 29 HE3 TRP 4 HE3 TRP 4 -2.642 8.171 -10.045 30 HZ2 TRP 4 HZ2 TRP 4 -1.043 12.667 -11.499 31 HZ3 TRP 4 HZ3 TRP 4 -3.980 9.571 -11.566 32 HH2 TRP 4 HH2 TRP 4 -3.197 11.774 -12.279 33 H GLN 5 H GLN 5 2.559 5.860 -7.555 34 HA GLN 5 HA GLN 5 1.389 3.183 -7.136 35 HB2 GLN 5 2HB GLN 5 2.880 3.096 -9.157 36 HB3 GLN 5 3HB GLN 5 4.223 3.663 -8.175 37 HG2 GLN 5 2HG GLN 5 4.054 1.597 -6.800 38 HG3 GLN 5 3HG GLN 5 2.756 1.025 -7.847 39 HE21 GLN 5 1HE2 GLN 5 5.808 2.673 -8.687 40 HE22 GLN 5 2HE2 GLN 5 6.415 1.400 -9.680 41 H ILE 6 H ILE 6 1.311 3.039 -4.971 42 HA ILE 6 HA ILE 6 3.486 4.096 -3.268 43 HB ILE 6 HB ILE 6 0.684 3.140 -2.486 44 HG12 ILE 6 2HG1 ILE 6 1.688 6.017 -2.765 45 HG13 ILE 6 3HG1 ILE 6 0.692 5.189 -3.957 46 HG21 ILE 6 1HG2 ILE 6 2.773 4.632 -0.844 47 HG22 ILE 6 2HG2 ILE 6 2.278 2.952 -0.623 48 HG23 ILE 6 3HG2 ILE 6 1.130 4.255 -0.312 49 HD11 ILE 6 3HD1 ILE 6 -1.094 4.970 -2.338 50 HD12 ILE 6 1HD1 ILE 6 -0.624 6.651 -2.583 51 HD13 ILE 6 2HD1 ILE 6 -0.105 5.798 -1.129 52 H LYS 7 H LYS 7 5.012 2.579 -2.951 53 HA LYS 7 HA LYS 7 4.282 -0.266 -2.640 54 HB2 LYS 7 2HB LYS 7 6.968 0.990 -3.345 55 HB3 LYS 7 3HB LYS 7 6.643 -0.738 -3.223 56 HG2 LYS 7 2HG LYS 7 5.061 -0.588 -5.100 57 HG3 LYS 7 3HG LYS 7 5.359 1.149 -5.226 58 HD2 LYS 7 2HD LYS 7 7.486 -0.991 -5.563 59 HD3 LYS 7 3HD LYS 7 6.643 -0.213 -6.902 60 HE2 LYS 7 2HE LYS 7 7.672 1.889 -6.466 61 HE3 LYS 7 3HE LYS 7 8.201 1.391 -4.854 62 HZ1 LYS 7 3HZ LYS 7 9.746 -0.167 -5.864 63 HZ2 LYS 7 1HZ LYS 7 10.028 1.387 -6.468 64 HZ3 LYS 7 2HZ LYS 7 9.215 0.252 -7.411 65 H ILE 8 H ILE 8 4.416 -1.097 -0.697 66 HA ILE 8 HA ILE 8 5.699 0.403 1.513 67 HB ILE 8 HB ILE 8 3.437 -1.652 1.750 68 HG12 ILE 8 2HG1 ILE 8 2.999 1.378 1.670 69 HG13 ILE 8 3HG1 ILE 8 2.798 0.357 0.254 70 HG21 ILE 8 1HG2 ILE 8 4.689 -1.186 3.810 71 HG22 ILE 8 2HG2 ILE 8 3.051 -0.548 3.939 72 HG23 ILE 8 3HG2 ILE 8 4.400 0.547 3.626 73 HD11 ILE 8 3HD1 ILE 8 0.679 0.857 1.314 74 HD12 ILE 8 1HD1 ILE 8 1.230 0.111 2.815 75 HD13 ILE 8 2HD1 ILE 8 1.023 -0.871 1.362 76 H TYR 9 H TYR 9 7.451 -0.679 2.450 77 HA TYR 9 HA TYR 9 7.897 -3.535 1.834 78 HB2 TYR 9 2HB TYR 9 10.011 -1.388 2.370 79 HB3 TYR 9 3HB TYR 9 10.314 -3.057 1.907 80 HD1 TYR 9 HD1 TYR 9 9.127 0.249 0.699 81 HD2 TYR 9 HD2 TYR 9 10.166 -3.741 -0.425 82 HE1 TYR 9 HE1 TYR 9 9.178 0.925 -1.664 83 HE2 TYR 9 HE2 TYR 9 10.220 -3.055 -2.782 84 HH TYR 9 HH TYR 9 9.329 -1.337 -4.214 85 H SER 10 H SER 10 7.247 -4.569 3.693 86 HA SER 10 HA SER 10 8.870 -4.075 6.087 87 HB2 SER 10 2HB SER 10 5.845 -4.469 6.167 88 HB3 SER 10 3HB SER 10 6.902 -4.470 7.578 89 HG SER 10 HG SER 10 6.872 -2.273 5.823 90 H GLU 11 H GLU 11 9.766 -5.918 6.732 91 HA GLU 11 HA GLU 11 9.292 -8.495 5.684 92 HB2 GLU 11 2HB GLU 11 10.739 -9.352 7.483 93 HB3 GLU 11 3HB GLU 11 11.425 -7.883 6.812 94 HG2 GLU 11 2HG GLU 11 9.867 -8.015 9.406 95 HG3 GLU 11 3HG GLU 11 11.614 -8.090 9.305 96 H ASN 12 H ASN 12 8.002 -6.785 8.438 97 HA ASN 12 HA ASN 12 6.456 -8.982 9.488 98 HB2 ASN 12 2HB ASN 12 7.433 -7.111 10.890 99 HB3 ASN 12 3HB ASN 12 6.273 -6.007 10.154 100 HD21 ASN 12 1HD2 ASN 12 5.251 -5.576 12.163 101 HD22 ASN 12 2HD2 ASN 12 4.257 -6.750 12.950 102 H GLU 13 H GLU 13 5.143 -9.651 7.817 103 HA GLU 13 HA GLU 13 3.374 -8.036 6.290 104 HB2 GLU 13 2HB GLU 13 2.167 -10.361 5.954 105 HB3 GLU 13 3HB GLU 13 3.760 -10.090 5.263 106 HG2 GLU 13 2HG GLU 13 3.535 -12.328 6.278 107 HG3 GLU 13 3HG GLU 13 4.818 -11.370 7.001 108 H ARG 14 H ARG 14 3.221 -9.034 9.570 109 HA ARG 14 HA ARG 14 0.508 -9.164 10.161 110 HB2 ARG 14 2HB ARG 14 2.272 -9.608 11.823 111 HB3 ARG 14 3HB ARG 14 2.747 -7.917 11.815 112 HG2 ARG 14 2HG ARG 14 1.438 -8.488 13.826 113 HG3 ARG 14 3HG ARG 14 0.609 -7.284 12.835 114 HD2 ARG 14 2HD ARG 14 -0.845 -9.035 11.903 115 HD3 ARG 14 3HD ARG 14 -0.007 -10.258 12.864 116 HE ARG 14 HE ARG 14 -1.103 -8.137 14.452 117 HH11 ARG 14 1HH1 ARG 14 -1.914 -11.181 12.852 118 HH12 ARG 14 2HH1 ARG 14 -3.243 -11.517 13.917 119 HH21 ARG 14 1HH2 ARG 14 -2.812 -8.579 15.840 120 HH22 ARG 14 2HH2 ARG 14 -3.757 -10.022 15.626 121 H GLU 15 H GLU 15 2.569 -6.335 9.675 122 HA GLU 15 HA GLU 15 0.672 -4.329 10.322 123 HB2 GLU 15 2HB GLU 15 3.016 -4.139 8.384 124 HB3 GLU 15 3HB GLU 15 2.228 -2.798 9.206 125 HG2 GLU 15 2HG GLU 15 3.966 -4.954 10.421 126 HG3 GLU 15 3HG GLU 15 4.311 -3.232 10.314 127 H PHE 16 H PHE 16 1.529 -6.024 7.350 128 HA PHE 16 HA PHE 16 -0.125 -4.536 5.559 129 HB2 PHE 16 2HB PHE 16 1.246 -7.240 5.304 130 HB3 PHE 16 3HB PHE 16 0.314 -6.517 3.996 131 HD1 PHE 16 HD2 PHE 16 2.243 -4.188 6.062 132 HD2 PHE 16 HD1 PHE 16 2.396 -6.743 2.631 133 HE1 PHE 16 HE2 PHE 16 4.240 -3.006 5.265 134 HE2 PHE 16 HE1 PHE 16 4.391 -5.535 1.846 135 HZ PHE 16 HZ PHE 16 5.311 -3.675 3.161 136 H ARG 17 H ARG 17 -0.771 -7.187 7.727 137 HA ARG 17 HA ARG 17 -2.958 -8.401 6.486 138 HB2 ARG 17 2HB ARG 17 -2.521 -7.989 9.476 139 HB3 ARG 17 3HB ARG 17 -3.710 -9.082 8.776 140 HG2 ARG 17 2HG ARG 17 -0.707 -9.288 8.488 141 HG3 ARG 17 3HG ARG 17 -1.729 -10.313 9.491 142 HD2 ARG 17 2HD ARG 17 -2.802 -11.254 7.514 143 HD3 ARG 17 3HD ARG 17 -1.929 -10.130 6.464 144 HE ARG 17 HE ARG 17 0.008 -11.525 7.851 145 HH11 ARG 17 1HH1 ARG 17 -2.544 -12.346 5.566 146 HH12 ARG 17 2HH1 ARG 17 -1.686 -13.714 4.934 147 HH21 ARG 17 1HH2 ARG 17 1.106 -13.301 7.010 148 HH22 ARG 17 2HH2 ARG 17 0.391 -14.258 5.758 149 H GLU 18 H GLU 18 -2.942 -5.584 8.704 150 HA GLU 18 HA GLU 18 -5.729 -5.048 8.538 151 HB2 GLU 18 2HB GLU 18 -3.375 -3.290 9.337 152 HB3 GLU 18 3HB GLU 18 -5.029 -2.697 9.344 153 HG2 GLU 18 2HG GLU 18 -5.507 -4.733 10.924 154 HG3 GLU 18 3HG GLU 18 -3.760 -4.778 11.129 155 H LEU 19 H LEU 19 -2.941 -3.946 6.614 156 HA LEU 19 HA LEU 19 -4.261 -1.961 5.101 157 HB2 LEU 19 2HB LEU 19 -1.703 -3.504 4.681 158 HB3 LEU 19 3HB LEU 19 -2.338 -2.552 3.353 159 HG LEU 19 HG LEU 19 -0.652 -1.256 4.529 160 HD11 LEU 19 1HD1 LEU 19 -3.396 -0.080 5.109 161 HD12 LEU 19 2HD1 LEU 19 -2.521 0.022 3.581 162 HD13 LEU 19 3HD1 LEU 19 -1.874 0.814 5.014 163 HD21 LEU 19 3HD2 LEU 19 -0.722 -2.315 6.739 164 HD22 LEU 19 1HD2 LEU 19 -2.282 -1.559 7.081 165 HD23 LEU 19 2HD2 LEU 19 -0.838 -0.565 6.878 166 H ILE 20 H ILE 20 -3.855 -5.433 4.502 167 HA ILE 20 HA ILE 20 -5.017 -5.585 1.940 168 HB ILE 20 HB ILE 20 -4.979 -7.685 4.171 169 HG12 ILE 20 2HG1 ILE 20 -2.716 -7.079 3.430 170 HG13 ILE 20 3HG1 ILE 20 -3.093 -8.710 2.907 171 HG21 ILE 20 1HG2 ILE 20 -5.444 -9.395 2.436 172 HG22 ILE 20 2HG2 ILE 20 -5.690 -8.116 1.244 173 HG23 ILE 20 3HG2 ILE 20 -6.783 -8.259 2.621 174 HD11 ILE 20 3HD1 ILE 20 -1.864 -7.512 1.205 175 HD12 ILE 20 1HD1 ILE 20 -3.080 -6.234 1.174 176 HD13 ILE 20 2HD1 ILE 20 -3.492 -7.861 0.625 177 H GLU 21 H GLU 21 -6.400 -5.824 5.200 178 HA GLU 21 HA GLU 21 -9.085 -6.282 4.525 179 HB2 GLU 21 2HB GLU 21 -7.889 -4.909 6.958 180 HB3 GLU 21 3HB GLU 21 -9.562 -5.436 6.841 181 HG2 GLU 21 2HG GLU 21 -7.126 -7.233 6.736 182 HG3 GLU 21 3HG GLU 21 -8.182 -7.015 8.126 183 H ARG 22 H ARG 22 -7.251 -3.254 4.745 184 HA ARG 22 HA ARG 22 -9.468 -1.467 4.532 185 HB2 ARG 22 2HB ARG 22 -6.610 -0.956 3.595 186 HB3 ARG 22 3HB ARG 22 -7.826 0.268 3.922 187 HG2 ARG 22 2HG ARG 22 -6.366 -1.479 5.902 188 HG3 ARG 22 3HG ARG 22 -6.254 0.263 5.718 189 HD2 ARG 22 2HD ARG 22 -7.552 0.003 7.639 190 HD3 ARG 22 3HD ARG 22 -8.763 0.277 6.385 191 HE ARG 22 HE ARG 22 -8.072 -2.490 7.101 192 HH11 ARG 22 1HH1 ARG 22 -10.446 0.112 7.301 193 HH12 ARG 22 2HH1 ARG 22 -11.723 -0.946 7.808 194 HH21 ARG 22 1HH2 ARG 22 -9.788 -3.848 7.805 195 HH22 ARG 22 2HH2 ARG 22 -11.354 -3.171 8.088 196 H LEU 23 H LEU 23 -7.197 -2.812 2.162 197 HA LEU 23 HA LEU 23 -8.153 -1.367 -0.082 198 HB2 LEU 23 2HB LEU 23 -6.155 -3.581 0.338 199 HB3 LEU 23 3HB LEU 23 -6.711 -3.280 -1.295 200 HG LEU 23 HG LEU 23 -4.618 -2.106 -0.951 201 HD11 LEU 23 1HD1 LEU 23 -6.870 -0.082 -1.009 202 HD12 LEU 23 2HD1 LEU 23 -6.315 -1.039 -2.382 203 HD13 LEU 23 3HD1 LEU 23 -5.233 0.130 -1.637 204 HD21 LEU 23 3HD2 LEU 23 -4.345 -0.264 0.687 205 HD22 LEU 23 1HD2 LEU 23 -4.589 -1.824 1.473 206 HD23 LEU 23 2HD2 LEU 23 -5.914 -0.663 1.393 207 H GLU 24 H GLU 24 -9.053 -4.488 1.238 208 HA GLU 24 HA GLU 24 -10.566 -5.294 -1.100 209 HB2 GLU 24 2HB GLU 24 -10.465 -6.516 1.686 210 HB3 GLU 24 3HB GLU 24 -11.317 -7.211 0.308 211 HG2 GLU 24 2HG GLU 24 -9.087 -7.251 -0.921 212 HG3 GLU 24 3HG GLU 24 -8.321 -6.835 0.611 213 H GLU 25 H GLU 25 -11.244 -3.625 1.926 214 HA GLU 25 HA GLU 25 -14.116 -3.605 1.619 215 HB2 GLU 25 2HB GLU 25 -12.252 -1.856 3.275 216 HB3 GLU 25 3HB GLU 25 -14.000 -1.690 3.302 217 HG2 GLU 25 2HG GLU 25 -12.417 -4.115 4.194 218 HG3 GLU 25 3HG GLU 25 -13.231 -2.949 5.234 219 H GLU 26 H GLU 26 -11.538 -1.958 0.091 220 HA GLU 26 HA GLU 26 -13.080 0.347 -0.773 221 HB2 GLU 26 2HB GLU 26 -10.273 -0.618 -1.445 222 HB3 GLU 26 3HB GLU 26 -10.990 0.815 -2.166 223 HG2 GLU 26 2HG GLU 26 -10.429 0.388 0.781 224 HG3 GLU 26 3HG GLU 26 -9.529 1.436 -0.313 225 H ARG 27 H ARG 27 -14.669 -0.008 -2.173 226 HA ARG 27 HA ARG 27 -14.438 -1.960 -4.353 227 HB2 ARG 27 2HB ARG 27 -16.789 -0.284 -3.377 228 HB3 ARG 27 3HB ARG 27 -16.857 -1.246 -4.846 229 HG2 ARG 27 2HG ARG 27 -17.929 -2.516 -3.133 230 HG3 ARG 27 3HG ARG 27 -16.377 -3.289 -3.453 231 HD2 ARG 27 2HD ARG 27 -15.425 -2.270 -1.443 232 HD3 ARG 27 3HD ARG 27 -16.931 -1.398 -1.142 233 HE ARG 27 HE ARG 27 -17.103 -4.310 -1.258 234 HH11 ARG 27 1HH1 ARG 27 -16.867 -1.473 0.822 235 HH12 ARG 27 2HH1 ARG 27 -17.451 -2.317 2.222 236 HH21 ARG 27 1HH2 ARG 27 -17.864 -5.382 0.600 237 HH22 ARG 27 2HH2 ARG 27 -18.010 -4.516 2.097 238 HA PRO 28 HA PRO 28 -15.717 -2.121 -6.630 239 HB2 PRO 28 2HB PRO 28 -13.958 -1.919 -9.042 240 HB3 PRO 28 3HB PRO 28 -15.725 -2.080 -8.944 241 HG2 PRO 28 2HG PRO 28 -14.583 0.215 -9.716 242 HG3 PRO 28 3HG PRO 28 -16.079 0.197 -8.752 243 HD2 PRO 28 2HD PRO 28 -13.245 0.679 -7.825 244 HD3 PRO 28 3HD PRO 28 -14.730 1.567 -7.412 245 H SER 29 H SER 29 -12.291 -1.407 -7.321 246 HA SER 29 HA SER 29 -11.194 -3.324 -5.549 247 HB2 SER 29 2HB SER 29 -11.966 -4.957 -7.273 248 HB3 SER 29 3HB SER 29 -11.079 -4.074 -8.512 249 HG SER 29 HG SER 29 -10.150 -5.777 -6.512 250 H VAL 30 H VAL 30 -9.398 -2.234 -4.966 251 HA VAL 30 HA VAL 30 -8.019 -0.451 -6.828 252 HB VAL 30 HB VAL 30 -7.227 -1.078 -3.942 253 HG11 VAL 30 1HG1 VAL 30 -6.007 1.075 -4.056 254 HG12 VAL 30 2HG1 VAL 30 -6.491 1.263 -5.745 255 HG13 VAL 30 3HG1 VAL 30 -5.430 -0.066 -5.275 256 HG21 VAL 30 3HG2 VAL 30 -8.415 0.963 -3.259 257 HG22 VAL 30 1HG2 VAL 30 -9.529 -0.202 -3.977 258 HG23 VAL 30 2HG2 VAL 30 -8.997 1.197 -4.911 259 H GLN 31 H GLN 31 -6.014 -0.890 -7.703 260 HA GLN 31 HA GLN 31 -5.451 -3.726 -8.010 261 HB2 GLN 31 2HB GLN 31 -4.253 -1.298 -9.419 262 HB3 GLN 31 3HB GLN 31 -4.066 -2.973 -9.923 263 HG2 GLN 31 2HG GLN 31 -6.651 -1.384 -9.888 264 HG3 GLN 31 3HG GLN 31 -5.723 -1.826 -11.316 265 HE21 GLN 31 1HE2 GLN 31 -7.897 -2.982 -8.822 266 HE22 GLN 31 2HE2 GLN 31 -8.268 -4.489 -9.574 267 H TYR 32 H TYR 32 -4.128 -4.639 -6.519 268 HA TYR 32 HA TYR 32 -1.552 -3.369 -5.907 269 HB2 TYR 32 2HB TYR 32 -1.763 -3.763 -3.523 270 HB3 TYR 32 3HB TYR 32 -3.117 -2.795 -4.067 271 HD1 TYR 32 HD2 TYR 32 -2.114 -6.088 -2.706 272 HD2 TYR 32 HD1 TYR 32 -5.423 -3.691 -3.965 273 HE1 TYR 32 HE2 TYR 32 -3.656 -7.616 -1.561 274 HE2 TYR 32 HE1 TYR 32 -6.957 -5.234 -2.812 275 HH TYR 32 HH TYR 32 -7.064 -7.453 -1.951 276 H THR 33 H THR 33 0.061 -4.852 -5.038 277 HA THR 33 HA THR 33 -0.387 -7.742 -5.327 278 HB THR 33 HB THR 33 1.748 -6.244 -6.936 279 HG1 THR 33 HG1 THR 33 -0.773 -7.277 -7.597 280 HG21 THR 33 3HG2 THR 33 2.275 -8.457 -7.929 281 HG22 THR 33 1HG2 THR 33 1.147 -9.225 -6.803 282 HG23 THR 33 2HG2 THR 33 2.604 -8.430 -6.199 283 H GLU 34 H GLU 34 0.497 -8.604 -3.510 284 HA GLU 34 HA GLU 34 2.808 -7.407 -2.182 285 HB2 GLU 34 2HB GLU 34 1.013 -8.345 -0.771 286 HB3 GLU 34 3HB GLU 34 1.199 -9.921 -1.535 287 HG2 GLU 34 2HG GLU 34 3.535 -10.034 -0.645 288 HG3 GLU 34 3HG GLU 34 3.262 -8.516 0.203 289 H THR 35 H THR 35 4.857 -8.138 -2.413 290 HA THR 35 HA THR 35 5.431 -10.730 -3.706 291 HB THR 35 HB THR 35 6.696 -8.040 -4.434 292 HG1 THR 35 HG1 THR 35 4.809 -9.711 -5.656 293 HG21 THR 35 3HG2 THR 35 8.441 -9.771 -4.434 294 HG22 THR 35 1HG2 THR 35 8.045 -9.305 -6.089 295 HG23 THR 35 2HG2 THR 35 7.428 -10.820 -5.431 296 H THR 36 H THR 36 6.648 -11.865 -2.290 297 HA THR 36 HA THR 36 8.062 -10.600 -0.085 298 HB THR 36 HB THR 36 8.151 -13.550 -0.889 299 HG1 THR 36 HG1 THR 36 5.948 -12.354 -0.420 300 HG21 THR 36 3HG2 THR 36 9.764 -12.886 0.871 301 HG22 THR 36 1HG2 THR 36 8.498 -13.913 1.541 302 HG23 THR 36 2HG2 THR 36 8.454 -12.170 1.813 303 H ARG 37 H ARG 37 9.815 -9.487 -0.772 304 HA ARG 37 HA ARG 37 11.895 -10.817 -2.381 305 HB2 ARG 37 2HB ARG 37 10.526 -9.326 -3.847 306 HB3 ARG 37 3HB ARG 37 10.893 -7.962 -2.794 307 HG2 ARG 37 2HG ARG 37 13.312 -8.257 -3.324 308 HG3 ARG 37 3HG ARG 37 12.881 -9.557 -4.434 309 HD2 ARG 37 2HD ARG 37 11.603 -7.974 -5.818 310 HD3 ARG 37 3HD ARG 37 11.978 -6.665 -4.691 311 HE ARG 37 HE ARG 37 14.118 -8.137 -6.117 312 HH11 ARG 37 1HH1 ARG 37 12.574 -5.043 -5.380 313 HH12 ARG 37 2HH1 ARG 37 13.827 -4.121 -6.143 314 HH21 ARG 37 1HH2 ARG 37 15.750 -6.902 -7.068 315 HH22 ARG 37 2HH2 ARG 37 15.627 -5.171 -7.098 316 H ASN 38 H ASN 38 13.913 -10.514 -1.638 317 HA ASN 38 HA ASN 38 15.716 -9.922 -0.392 318 HB2 ASN 38 2HB ASN 38 14.281 -7.243 -0.314 319 HB3 ASN 38 3HB ASN 38 15.818 -7.478 0.499 320 HD21 ASN 38 1HD2 ASN 38 14.901 -8.830 -2.655 321 HD22 ASN 38 2HD2 ASN 38 16.052 -7.928 -3.564 322 H GLY 39 H GLY 39 13.136 -10.947 0.907 323 HA2 GLY 39 2HA GLY 39 12.915 -11.913 3.033 324 HA3 GLY 39 3HA GLY 39 14.034 -10.730 3.698 325 H ARG 40 H ARG 40 12.113 -8.829 1.928 326 HA ARG 40 HA ARG 40 10.130 -8.416 4.085 327 HB2 ARG 40 2HB ARG 40 11.449 -6.350 2.265 328 HB3 ARG 40 3HB ARG 40 10.029 -5.994 3.246 329 HG2 ARG 40 2HG ARG 40 11.387 -6.675 5.278 330 HG3 ARG 40 3HG ARG 40 12.795 -6.739 4.220 331 HD2 ARG 40 2HD ARG 40 11.076 -4.285 4.704 332 HD3 ARG 40 3HD ARG 40 12.640 -4.609 5.458 333 HE ARG 40 HE ARG 40 12.931 -4.717 2.664 334 HH11 ARG 40 1HH1 ARG 40 12.419 -2.366 5.245 335 HH12 ARG 40 2HH1 ARG 40 13.168 -1.067 4.372 336 HH21 ARG 40 1HH2 ARG 40 13.905 -2.999 1.510 337 HH22 ARG 40 2HH2 ARG 40 14.016 -1.427 2.243 338 H ARG 41 H ARG 41 8.021 -8.027 3.581 339 HA ARG 41 HA ARG 41 7.002 -8.770 0.979 340 HB2 ARG 41 2HB ARG 41 5.561 -7.521 3.373 341 HB3 ARG 41 3HB ARG 41 4.788 -8.312 2.004 342 HG2 ARG 41 2HG ARG 41 6.593 -9.679 4.018 343 HG3 ARG 41 3HG ARG 41 4.830 -9.719 4.043 344 HD2 ARG 41 2HD ARG 41 4.839 -10.843 1.833 345 HD3 ARG 41 3HD ARG 41 6.602 -10.813 1.840 346 HE ARG 41 HE ARG 41 6.628 -12.418 3.565 347 HH11 ARG 41 1HH1 ARG 41 3.350 -11.742 2.471 348 HH12 ARG 41 2HH1 ARG 41 2.702 -13.196 3.157 349 HH21 ARG 41 1HH2 ARG 41 5.774 -14.331 4.430 350 HH22 ARG 41 2HH2 ARG 41 4.082 -14.666 4.274 351 H GLN 42 H GLN 42 6.769 -7.304 -0.700 352 HA GLN 42 HA GLN 42 6.439 -4.445 -0.030 353 HB2 GLN 42 2HB GLN 42 7.072 -3.909 -2.355 354 HB3 GLN 42 3HB GLN 42 8.348 -4.759 -1.499 355 HG2 GLN 42 2HG GLN 42 7.876 -6.802 -2.706 356 HG3 GLN 42 3HG GLN 42 6.468 -6.065 -3.474 357 HE21 GLN 42 1HE2 GLN 42 6.769 -4.544 -5.123 358 HE22 GLN 42 2HE2 GLN 42 8.282 -4.367 -5.943 359 H LEU 43 H LEU 43 4.444 -3.743 -0.080 360 HA LEU 43 HA LEU 43 2.373 -5.114 -1.664 361 HB2 LEU 43 2HB LEU 43 2.335 -4.293 0.966 362 HB3 LEU 43 3HB LEU 43 1.668 -2.860 0.215 363 HG LEU 43 HG LEU 43 0.517 -5.679 0.130 364 HD11 LEU 43 1HD1 LEU 43 0.158 -4.557 2.264 365 HD12 LEU 43 2HD1 LEU 43 -1.361 -4.717 1.387 366 HD13 LEU 43 3HD1 LEU 43 -0.538 -3.156 1.442 367 HD21 LEU 43 3HD2 LEU 43 0.109 -4.642 -2.024 368 HD22 LEU 43 1HD2 LEU 43 -0.547 -3.203 -1.241 369 HD23 LEU 43 2HD2 LEU 43 -1.387 -4.748 -1.102 370 H THR 44 H THR 44 2.284 -4.287 -3.639 371 HA THR 44 HA THR 44 3.134 -1.534 -4.208 372 HB THR 44 HB THR 44 2.882 -3.965 -6.052 373 HG1 THR 44 HG1 THR 44 4.593 -4.097 -4.477 374 HG21 THR 44 3HG2 THR 44 4.169 -2.598 -7.667 375 HG22 THR 44 1HG2 THR 44 4.098 -1.220 -6.560 376 HG23 THR 44 2HG2 THR 44 2.619 -1.855 -7.286 377 H ILE 45 H ILE 45 1.371 -0.266 -4.129 378 HA ILE 45 HA ILE 45 -1.224 -1.183 -5.219 379 HB ILE 45 HB ILE 45 -0.636 1.055 -3.209 380 HG12 ILE 45 2HG1 ILE 45 -1.821 -1.728 -2.758 381 HG13 ILE 45 3HG1 ILE 45 -0.214 -1.214 -2.278 382 HG21 ILE 45 1HG2 ILE 45 -3.089 1.149 -2.887 383 HG22 ILE 45 2HG2 ILE 45 -3.314 -0.036 -4.173 384 HG23 ILE 45 3HG2 ILE 45 -2.640 1.554 -4.542 385 HD11 ILE 45 3HD1 ILE 45 -1.749 -1.320 -0.409 386 HD12 ILE 45 1HD1 ILE 45 -2.798 -0.129 -1.179 387 HD13 ILE 45 2HD1 ILE 45 -1.168 0.324 -0.669 388 H ARG 46 H ARG 46 -2.159 -0.024 -6.871 389 HA ARG 46 HA ARG 46 -0.873 2.429 -7.879 390 HB2 ARG 46 2HB ARG 46 -1.470 -0.087 -9.500 391 HB3 ARG 46 3HB ARG 46 -1.148 1.482 -10.241 392 HG2 ARG 46 2HG ARG 46 1.080 1.518 -9.178 393 HG3 ARG 46 3HG ARG 46 0.758 -0.067 -8.470 394 HD2 ARG 46 2HD ARG 46 0.827 0.524 -11.442 395 HD3 ARG 46 3HD ARG 46 2.154 -0.186 -10.521 396 HE ARG 46 HE ARG 46 -0.431 -1.457 -11.145 397 HH11 ARG 46 1HH1 ARG 46 2.839 -1.769 -9.853 398 HH12 ARG 46 2HH1 ARG 46 2.783 -3.503 -9.833 399 HH21 ARG 46 1HH2 ARG 46 -0.477 -3.711 -11.114 400 HH22 ARG 46 2HH2 ARG 46 0.897 -4.600 -10.549 401 H SER 47 H SER 47 -2.233 3.887 -8.632 402 HA SER 47 HA SER 47 -4.999 3.263 -9.342 403 HB2 SER 47 2HB SER 47 -4.262 5.299 -7.190 404 HB3 SER 47 3HB SER 47 -5.881 5.019 -7.825 405 HG SER 47 HG SER 47 -5.097 2.681 -7.021 406 H ASN 48 H ASN 48 -5.822 4.700 -10.829 407 HA ASN 48 HA ASN 48 -3.925 6.548 -12.127 408 HB2 ASN 48 2HB ASN 48 -6.594 5.418 -13.090 409 HB3 ASN 48 3HB ASN 48 -5.554 6.473 -14.041 410 HD21 ASN 48 1HD2 ASN 48 -6.466 3.801 -14.664 411 HD22 ASN 48 2HD2 ASN 48 -5.053 2.831 -14.863 412 H ASP 49 H ASP 49 -5.716 7.019 -9.635 413 HA ASP 49 HA ASP 49 -6.713 9.666 -10.440 414 HB2 ASP 49 2HB ASP 49 -8.696 8.256 -10.377 415 HB3 ASP 49 3HB ASP 49 -8.242 7.595 -8.809 416 H LYS 50 H LYS 50 -6.460 11.261 -8.918 417 HA LYS 50 HA LYS 50 -4.346 10.934 -7.048 418 HB2 LYS 50 2HB LYS 50 -6.171 13.277 -7.705 419 HB3 LYS 50 3HB LYS 50 -4.927 13.397 -6.466 420 HG2 LYS 50 2HG LYS 50 -4.399 12.707 -9.375 421 HG3 LYS 50 3HG LYS 50 -4.230 14.316 -8.679 422 HD2 LYS 50 2HD LYS 50 -2.669 11.884 -7.746 423 HD3 LYS 50 3HD LYS 50 -2.075 13.055 -8.922 424 HE2 LYS 50 2HE LYS 50 -2.081 14.820 -7.282 425 HE3 LYS 50 3HE LYS 50 -2.926 13.804 -6.111 426 HZ1 LYS 50 3HZ LYS 50 -1.021 12.409 -5.907 427 HZ2 LYS 50 1HZ LYS 50 -0.504 14.007 -5.706 428 HZ3 LYS 50 2HZ LYS 50 -0.215 13.198 -7.163 429 H ASN 51 H ASN 51 -7.859 11.168 -6.652 430 HA ASN 51 HA ASN 51 -7.839 11.548 -3.793 431 HB2 ASN 51 2HB ASN 51 -10.170 10.471 -5.455 432 HB3 ASN 51 3HB ASN 51 -10.264 11.286 -3.904 433 HD21 ASN 51 1HD2 ASN 51 -9.818 11.695 -7.338 434 HD22 ASN 51 2HD2 ASN 51 -10.044 13.408 -7.364 435 H GLU 52 H GLU 52 -8.200 8.839 -5.990 436 HA GLU 52 HA GLU 52 -8.846 6.792 -4.186 437 HB2 GLU 52 2HB GLU 52 -9.172 6.650 -6.650 438 HB3 GLU 52 3HB GLU 52 -7.428 6.653 -6.884 439 HG2 GLU 52 2HG GLU 52 -8.257 4.403 -7.154 440 HG3 GLU 52 3HG GLU 52 -7.280 4.483 -5.691 441 H VAL 53 H VAL 53 -5.696 7.581 -5.713 442 HA VAL 53 HA VAL 53 -4.192 5.637 -4.335 443 HB VAL 53 HB VAL 53 -3.557 6.797 -6.522 444 HG11 VAL 53 1HG1 VAL 53 -2.469 8.984 -4.736 445 HG12 VAL 53 2HG1 VAL 53 -3.827 9.136 -5.851 446 HG13 VAL 53 3HG1 VAL 53 -2.204 8.830 -6.474 447 HG21 VAL 53 3HG2 VAL 53 -2.032 5.259 -5.382 448 HG22 VAL 53 1HG2 VAL 53 -1.375 6.593 -4.429 449 HG23 VAL 53 2HG2 VAL 53 -1.141 6.556 -6.177 450 H ASP 54 H ASP 54 -5.017 8.959 -3.511 451 HA ASP 54 HA ASP 54 -3.082 9.348 -1.452 452 HB2 ASP 54 2HB ASP 54 -4.191 11.241 -2.565 453 HB3 ASP 54 3HB ASP 54 -5.748 10.752 -1.901 454 H ARG 55 H ARG 55 -6.366 8.068 -1.525 455 HA ARG 55 HA ARG 55 -6.962 8.035 1.219 456 HB2 ARG 55 2HB ARG 55 -8.597 7.636 -0.667 457 HB3 ARG 55 3HB ARG 55 -7.892 6.041 -0.891 458 HG2 ARG 55 2HG ARG 55 -9.972 5.860 0.354 459 HG3 ARG 55 3HG ARG 55 -8.620 5.404 1.394 460 HD2 ARG 55 2HD ARG 55 -10.262 6.794 2.582 461 HD3 ARG 55 3HD ARG 55 -8.693 7.604 2.481 462 HE ARG 55 HE ARG 55 -10.737 8.228 0.470 463 HH11 ARG 55 1HH1 ARG 55 -8.968 9.288 3.323 464 HH12 ARG 55 2HH1 ARG 55 -9.412 10.949 3.118 465 HH21 ARG 55 1HH2 ARG 55 -11.298 10.437 0.229 466 HH22 ARG 55 2HH2 ARG 55 -10.720 11.594 1.380 467 H ILE 56 H ILE 56 -5.003 5.908 -0.743 468 HA ILE 56 HA ILE 56 -4.629 3.842 1.245 469 HB ILE 56 HB ILE 56 -3.393 4.439 -1.467 470 HG12 ILE 56 2HG1 ILE 56 -4.269 2.097 -1.977 471 HG13 ILE 56 3HG1 ILE 56 -5.042 2.102 -0.403 472 HG21 ILE 56 1HG2 ILE 56 -2.405 2.254 0.397 473 HG22 ILE 56 2HG2 ILE 56 -1.492 3.657 -0.164 474 HG23 ILE 56 3HG2 ILE 56 -1.983 2.411 -1.309 475 HD11 ILE 56 3HD1 ILE 56 -6.436 3.997 -1.124 476 HD12 ILE 56 1HD1 ILE 56 -6.615 2.593 -2.179 477 HD13 ILE 56 2HD1 ILE 56 -5.641 3.967 -2.698 478 H LEU 57 H LEU 57 -2.875 6.722 0.106 479 HA LEU 57 HA LEU 57 -0.406 6.108 1.333 480 HB2 LEU 57 2HB LEU 57 -0.784 7.723 -0.591 481 HB3 LEU 57 3HB LEU 57 -1.368 8.886 0.585 482 HG LEU 57 HG LEU 57 0.827 8.932 1.683 483 HD11 LEU 57 1HD1 LEU 57 1.745 6.906 -0.362 484 HD12 LEU 57 2HD1 LEU 57 1.559 6.649 1.375 485 HD13 LEU 57 3HD1 LEU 57 2.780 7.767 0.781 486 HD21 LEU 57 3HD2 LEU 57 0.455 10.500 -0.154 487 HD22 LEU 57 1HD2 LEU 57 1.075 9.319 -1.313 488 HD23 LEU 57 2HD2 LEU 57 2.144 10.007 -0.087 489 H GLU 58 H GLU 58 -2.981 8.383 2.324 490 HA GLU 58 HA GLU 58 -1.971 9.141 4.815 491 HB2 GLU 58 2HB GLU 58 -4.385 9.544 5.462 492 HB3 GLU 58 3HB GLU 58 -3.905 10.293 3.947 493 HG2 GLU 58 2HG GLU 58 -5.164 8.788 2.645 494 HG3 GLU 58 3HG GLU 58 -5.241 7.591 3.931 495 H GLU 59 H GLU 59 -3.741 6.241 3.873 496 HA GLU 59 HA GLU 59 -4.519 5.344 6.420 497 HB2 GLU 59 2HB GLU 59 -5.516 4.591 4.252 498 HB3 GLU 59 3HB GLU 59 -4.046 3.690 3.906 499 HG2 GLU 59 2HG GLU 59 -5.763 2.180 4.700 500 HG3 GLU 59 3HG GLU 59 -4.466 2.268 5.886 501 H VAL 60 H VAL 60 -1.774 4.338 4.355 502 HA VAL 60 HA VAL 60 -0.676 2.509 6.232 503 HB VAL 60 HB VAL 60 -0.214 2.250 3.846 504 HG11 VAL 60 1HG1 VAL 60 -0.097 4.570 3.114 505 HG12 VAL 60 2HG1 VAL 60 1.344 3.689 2.608 506 HG13 VAL 60 3HG1 VAL 60 1.427 4.795 3.981 507 HG21 VAL 60 3HG2 VAL 60 2.208 1.777 3.943 508 HG22 VAL 60 1HG2 VAL 60 1.385 1.259 5.414 509 HG23 VAL 60 2HG2 VAL 60 2.341 2.743 5.415 510 H ARG 61 H ARG 61 -0.094 5.952 5.636 511 HA ARG 61 HA ARG 61 2.279 6.201 7.190 512 HB2 ARG 61 2HB ARG 61 0.220 8.270 6.349 513 HB3 ARG 61 3HB ARG 61 1.714 8.681 7.190 514 HG2 ARG 61 2HG ARG 61 3.042 7.792 5.322 515 HG3 ARG 61 3HG ARG 61 1.567 7.308 4.482 516 HD2 ARG 61 2HD ARG 61 2.379 9.379 3.522 517 HD3 ARG 61 3HD ARG 61 0.877 9.715 4.391 518 HE ARG 61 HE ARG 61 3.138 10.144 6.060 519 HH11 ARG 61 1HH1 ARG 61 1.412 11.659 3.388 520 HH12 ARG 61 2HH1 ARG 61 1.926 13.263 3.806 521 HH21 ARG 61 1HH2 ARG 61 3.799 12.250 6.612 522 HH22 ARG 61 2HH2 ARG 61 3.287 13.601 5.649 523 H ARG 62 H ARG 62 -1.148 6.667 7.981 524 HA ARG 62 HA ARG 62 -0.647 7.637 10.654 525 HB2 ARG 62 2HB ARG 62 -3.223 6.782 9.266 526 HB3 ARG 62 3HB ARG 62 -3.153 7.530 10.859 527 HG2 ARG 62 2HG ARG 62 -2.214 9.588 9.883 528 HG3 ARG 62 3HG ARG 62 -2.210 8.840 8.282 529 HD2 ARG 62 2HD ARG 62 -4.142 10.332 8.533 530 HD3 ARG 62 3HD ARG 62 -4.678 8.657 8.361 531 HE ARG 62 HE ARG 62 -4.394 9.803 11.052 532 HH11 ARG 62 1HH1 ARG 62 -6.592 8.667 8.533 533 HH12 ARG 62 2HH1 ARG 62 -7.950 8.598 9.609 534 HH21 ARG 62 1HH2 ARG 62 -6.176 9.686 12.440 535 HH22 ARG 62 2HH2 ARG 62 -7.719 9.174 11.819 536 H LYS 63 H LYS 63 -1.645 4.554 9.208 537 HA LYS 63 HA LYS 63 -2.351 3.312 11.711 538 HB2 LYS 63 2HB LYS 63 -3.554 2.666 9.722 539 HB3 LYS 63 3HB LYS 63 -2.069 2.250 8.874 540 HG2 LYS 63 2HG LYS 63 -1.725 0.314 10.286 541 HG3 LYS 63 3HG LYS 63 -3.081 0.760 11.322 542 HD2 LYS 63 2HD LYS 63 -3.333 0.043 8.375 543 HD3 LYS 63 3HD LYS 63 -3.587 -1.092 9.701 544 HE2 LYS 63 2HE LYS 63 -5.185 1.434 9.192 545 HE3 LYS 63 3HE LYS 63 -5.728 -0.219 8.883 546 HZ1 LYS 63 3HZ LYS 63 -5.050 0.912 11.550 547 HZ2 LYS 63 1HZ LYS 63 -5.567 -0.671 11.257 548 HZ3 LYS 63 2HZ LYS 63 -6.612 0.612 10.968 549 H VAL 64 H VAL 64 0.446 3.101 9.488 550 HA VAL 64 HA VAL 64 1.947 1.568 11.506 551 HB VAL 64 HB VAL 64 2.875 0.070 9.627 552 HG11 VAL 64 1HG1 VAL 64 -0.041 -0.255 10.407 553 HG12 VAL 64 2HG1 VAL 64 1.361 -0.802 11.329 554 HG13 VAL 64 3HG1 VAL 64 0.996 -1.533 9.766 555 HG21 VAL 64 3HG2 VAL 64 0.379 1.016 8.156 556 HG22 VAL 64 1HG2 VAL 64 1.432 -0.310 7.651 557 HG23 VAL 64 2HG2 VAL 64 2.044 1.344 7.679 558 HA PRO 65 HA PRO 65 4.588 5.057 9.885 559 HB2 PRO 65 2HB PRO 65 5.564 5.859 12.306 560 HB3 PRO 65 3HB PRO 65 3.960 6.356 11.727 561 HG2 PRO 65 2HG PRO 65 4.666 4.135 13.621 562 HG3 PRO 65 3HG PRO 65 3.410 5.385 13.782 563 HD2 PRO 65 2HD PRO 65 2.830 2.876 12.934 564 HD3 PRO 65 3HD PRO 65 1.953 4.298 12.318 565 H ASN 66 H ASN 66 5.126 2.073 11.346 566 HA ASN 66 HA ASN 66 8.009 2.043 11.420 567 HB2 ASN 66 2HB ASN 66 7.746 -0.383 11.844 568 HB3 ASN 66 3HB ASN 66 6.645 0.538 12.867 569 HD21 ASN 66 1HD2 ASN 66 4.405 0.457 12.420 570 HD22 ASN 66 2HD2 ASN 66 3.718 -0.780 11.432 571 H ALA 67 H ALA 67 5.536 1.457 9.037 572 HA ALA 67 HA ALA 67 7.013 -0.377 7.398 573 HB1 ALA 67 3HB ALA 67 4.558 -0.458 7.588 574 HB2 ALA 67 1HB ALA 67 5.079 -0.266 5.913 575 HB3 ALA 67 2HB ALA 67 4.440 1.119 6.802 576 H ARG 68 H ARG 68 8.234 0.008 5.627 577 HA ARG 68 HA ARG 68 9.113 2.671 4.977 578 HB2 ARG 68 2HB ARG 68 10.691 0.800 4.895 579 HB3 ARG 68 3HB ARG 68 9.675 -0.063 3.749 580 HG2 ARG 68 2HG ARG 68 11.610 0.841 2.610 581 HG3 ARG 68 3HG ARG 68 10.156 1.654 2.029 582 HD2 ARG 68 2HD ARG 68 11.954 3.252 2.328 583 HD3 ARG 68 3HD ARG 68 10.678 3.581 3.506 584 HE ARG 68 HE ARG 68 12.589 1.875 4.673 585 HH11 ARG 68 1HH1 ARG 68 12.386 5.242 3.600 586 HH12 ARG 68 2HH1 ARG 68 13.574 5.784 4.746 587 HH21 ARG 68 1HH2 ARG 68 14.125 2.616 6.163 588 HH22 ARG 68 2HH2 ARG 68 14.555 4.299 6.188 589 H VAL 69 H VAL 69 7.555 3.917 3.994 590 HA VAL 69 HA VAL 69 5.929 2.842 1.789 591 HB VAL 69 HB VAL 69 5.773 5.647 3.001 592 HG11 VAL 69 1HG1 VAL 69 4.699 5.394 0.808 593 HG12 VAL 69 2HG1 VAL 69 3.498 5.657 2.071 594 HG13 VAL 69 3HG1 VAL 69 3.743 4.037 1.412 595 HG21 VAL 69 3HG2 VAL 69 3.927 4.847 4.421 596 HG22 VAL 69 1HG2 VAL 69 5.430 4.006 4.800 597 HG23 VAL 69 2HG2 VAL 69 4.184 3.196 3.850 598 H ARG 70 H ARG 70 6.188 3.537 -0.328 599 HA ARG 70 HA ARG 70 8.189 5.602 -0.934 600 HB2 ARG 70 2HB ARG 70 9.394 3.454 -1.005 601 HB3 ARG 70 3HB ARG 70 8.196 2.781 -2.102 602 HG2 ARG 70 2HG ARG 70 10.343 3.445 -3.198 603 HG3 ARG 70 3HG ARG 70 8.919 4.219 -3.897 604 HD2 ARG 70 2HD ARG 70 10.846 5.766 -3.650 605 HD3 ARG 70 3HD ARG 70 9.430 6.302 -2.745 606 HE ARG 70 HE ARG 70 11.157 4.768 -1.087 607 HH11 ARG 70 1HH1 ARG 70 10.996 7.974 -2.582 608 HH12 ARG 70 2HH1 ARG 70 11.977 8.722 -1.364 609 HH21 ARG 70 1HH2 ARG 70 12.401 5.796 0.537 610 HH22 ARG 70 2HH2 ARG 70 12.771 7.485 0.398 611 H GLU 71 H GLU 71 6.903 7.063 -1.846 612 HA GLU 71 HA GLU 71 4.758 6.436 -3.691 613 HB2 GLU 71 2HB GLU 71 5.988 9.177 -3.093 614 HB3 GLU 71 3HB GLU 71 4.454 8.854 -3.895 615 HG2 GLU 71 2HG GLU 71 3.776 9.466 -1.755 616 HG3 GLU 71 3HG GLU 71 3.757 7.708 -1.676 617 H THR 72 H THR 72 5.063 6.114 -5.818 618 HA THR 72 HA THR 72 7.294 7.385 -7.257 619 HB THR 72 HB THR 72 7.585 5.190 -8.573 620 HG1 THR 72 HG1 THR 72 5.783 4.367 -6.611 621 HG21 THR 72 3HG2 THR 72 9.084 4.118 -6.927 622 HG22 THR 72 1HG2 THR 72 8.379 5.086 -5.637 623 HG23 THR 72 2HG2 THR 72 9.296 5.871 -6.927 624 H GLU 73 H GLU 73 6.275 8.633 -8.726 625 HA GLU 73 HA GLU 73 3.814 7.660 -10.031 626 HB2 GLU 73 2HB GLU 73 3.409 9.893 -10.806 627 HB3 GLU 73 3HB GLU 73 3.843 10.016 -9.113 628 HG2 GLU 73 2HG GLU 73 5.702 10.614 -11.425 629 HG3 GLU 73 3HG GLU 73 4.787 11.818 -10.533 630 H THR 74 H THR 74 3.679 7.520 -12.269 631 HA THR 74 HA THR 74 6.229 7.373 -13.765 632 HB THR 74 HB THR 74 3.815 5.586 -14.279 633 HG1 THR 74 HG1 THR 74 4.797 5.346 -12.106 634 HG21 THR 74 3HG2 THR 74 5.455 5.764 -16.123 635 HG22 THR 74 1HG2 THR 74 5.467 4.149 -15.422 636 HG23 THR 74 2HG2 THR 74 6.753 5.290 -15.023 637 H GLY 75 H GLY 75 6.191 8.452 -15.641 638 HA2 GLY 75 2HA GLY 75 4.418 9.177 -17.485 639 HA3 GLY 75 3HA GLY 75 3.934 10.234 -16.155 640 H SER 76 H SER 76 6.810 9.166 -17.940 641 HA SER 76 HA SER 76 8.317 11.564 -17.299 642 HB2 SER 76 2HB SER 76 10.140 10.325 -18.568 643 HB3 SER 76 3HB SER 76 9.481 9.435 -17.197 644 HG SER 76 HG SER 76 9.632 8.085 -19.002 645 H LEU 77 H LEU 77 5.889 11.753 -19.038 646 HA LEU 77 HA LEU 77 6.693 12.248 -21.738 647 HB2 LEU 77 2HB LEU 77 4.156 12.914 -20.183 648 HB3 LEU 77 3HB LEU 77 4.377 13.361 -21.866 649 HG LEU 77 HG LEU 77 4.563 10.917 -22.458 650 HD11 LEU 77 1HD1 LEU 77 3.752 10.381 -19.589 651 HD12 LEU 77 2HD1 LEU 77 5.313 10.007 -20.322 652 HD13 LEU 77 3HD1 LEU 77 3.861 9.189 -20.889 653 HD21 LEU 77 3HD2 LEU 77 2.160 10.426 -22.275 654 HD22 LEU 77 1HD2 LEU 77 2.441 12.107 -22.721 655 HD23 LEU 77 2HD2 LEU 77 1.980 11.703 -21.067 656 H GLU 78 H GLU 78 8.443 13.649 -21.540 657 HA GLU 78 HA GLU 78 8.228 16.205 -20.142 658 HB2 GLU 78 2HB GLU 78 10.515 14.902 -21.681 659 HB3 GLU 78 3HB GLU 78 10.653 16.452 -20.860 660 HG2 GLU 78 2HG GLU 78 10.049 13.798 -19.537 661 HG3 GLU 78 3HG GLU 78 11.613 14.600 -19.550 662 H HIS 79 H HIS 79 9.128 18.136 -21.264 663 HA HIS 79 HA HIS 79 7.710 18.877 -23.579 664 HB2 HIS 79 2HB HIS 79 9.277 20.917 -23.542 665 HB3 HIS 79 3HB HIS 79 8.348 20.636 -22.076 666 HD1 HIS 79 HD1 HIS 79 11.886 20.353 -23.410 667 HD2 HIS 79 HD2 HIS 79 9.865 20.254 -19.776 668 HE1 HIS 79 HE1 HIS 79 13.663 20.383 -21.643 669 HE2 HIS 79 HE2 HIS 79 12.434 20.172 -19.472 670 H HIS 80 H HIS 80 8.068 17.554 -25.306 671 HA HIS 80 HA HIS 80 10.727 17.067 -26.423 672 HB2 HIS 80 2HB HIS 80 7.963 16.482 -27.586 673 HB3 HIS 80 3HB HIS 80 9.491 15.908 -28.249 674 HD1 HIS 80 HD1 HIS 80 6.913 15.111 -25.735 675 HD2 HIS 80 HD2 HIS 80 10.809 13.926 -26.582 676 HE1 HIS 80 HE1 HIS 80 7.268 12.982 -24.456 677 HE2 HIS 80 HE2 HIS 80 9.620 12.295 -24.968 678 H HIS 81 H HIS 81 8.313 19.482 -26.584 679 HA HIS 81 HA HIS 81 9.925 21.121 -28.354 680 HB2 HIS 81 2HB HIS 81 7.998 21.701 -29.844 681 HB3 HIS 81 3HB HIS 81 8.506 20.028 -30.013 682 HD1 HIS 81 HD1 HIS 81 6.710 18.302 -29.812 683 HD2 HIS 81 HD2 HIS 81 5.515 21.977 -28.279 684 HE1 HIS 81 HE1 HIS 81 4.270 18.056 -29.271 685 HE2 HIS 81 HE2 HIS 81 3.546 20.315 -28.453 686 H HIS 82 H HIS 82 9.212 23.387 -28.289 687 HA HIS 82 HA HIS 82 7.100 24.249 -26.543 688 HB2 HIS 82 2HB HIS 82 8.828 23.832 -24.825 689 HB3 HIS 82 3HB HIS 82 9.984 24.822 -25.708 690 HD1 HIS 82 HD1 HIS 82 6.677 25.186 -23.860 691 HD2 HIS 82 HD2 HIS 82 9.967 27.476 -24.980 692 HE1 HIS 82 HE1 HIS 82 6.346 27.433 -22.784 693 HE2 HIS 82 HE2 HIS 82 8.210 28.852 -23.676 694 H HIS 83 H HIS 83 6.264 25.981 -27.543 695 HA HIS 83 HA HIS 83 7.750 27.564 -29.463 696 HB2 HIS 83 2HB HIS 83 5.657 28.666 -29.952 697 HB3 HIS 83 3HB HIS 83 5.288 26.962 -29.743 698 HD1 HIS 83 HD1 HIS 83 3.644 26.346 -27.875 699 HD2 HIS 83 HD2 HIS 83 4.649 30.381 -27.879 700 HE1 HIS 83 HE1 HIS 83 2.102 27.440 -26.218 701 HE2 HIS 83 HE2 HIS 83 2.649 29.882 -26.329 702 H HIS 84 H HIS 84 8.096 29.853 -29.270 703 HA HIS 84 HA HIS 84 8.878 30.785 -26.680 704 HB2 HIS 84 2HB HIS 84 8.570 32.359 -29.279 705 HB3 HIS 84 3HB HIS 84 9.396 32.928 -27.833 706 HD1 HIS 84 HD1 HIS 84 9.852 30.865 -30.858 707 HD2 HIS 84 HD2 HIS 84 11.940 31.656 -27.349 708 HE1 HIS 84 HE1 HIS 84 12.166 29.997 -31.245 709 HE2 HIS 84 HE2 HIS 84 13.407 30.436 -29.104 Start of MODEL 14 1 H1 MET 1 1H MET 1 -1.334 10.769 -18.963 2 H2 MET 1 2H MET 1 -2.135 12.001 -18.127 3 H3 MET 1 3H MET 1 -2.084 10.445 -17.481 4 HA MET 1 HA MET 1 0.277 12.174 -17.944 5 HB2 MET 1 2HB MET 1 -1.061 13.105 -16.130 6 HB3 MET 1 3HB MET 1 -1.234 11.527 -15.370 7 HG2 MET 1 2HG MET 1 0.383 12.983 -14.196 8 HG3 MET 1 3HG MET 1 1.132 11.500 -14.795 9 HE1 MET 1 3HE MET 1 2.831 14.147 -13.873 10 HE2 MET 1 1HE MET 1 4.070 14.088 -15.133 11 HE3 MET 1 2HE MET 1 3.512 12.600 -14.374 12 H GLY 2 H GLY 2 -0.704 9.494 -15.749 13 HA2 GLY 2 2HA GLY 2 0.838 7.458 -16.859 14 HA3 GLY 2 3HA GLY 2 1.859 8.294 -15.691 15 H GLN 3 H GLN 3 1.836 6.139 -14.722 16 HA GLN 3 HA GLN 3 -0.548 5.355 -13.197 17 HB2 GLN 3 2HB GLN 3 0.672 3.591 -14.350 18 HB3 GLN 3 3HB GLN 3 2.190 4.090 -13.633 19 HG2 GLN 3 2HG GLN 3 1.231 3.430 -11.376 20 HG3 GLN 3 3HG GLN 3 -0.139 2.735 -12.248 21 HE21 GLN 3 1HE2 GLN 3 3.286 2.449 -11.570 22 HE22 GLN 3 2HE2 GLN 3 3.469 0.839 -12.167 23 H TRP 4 H TRP 4 -0.643 5.491 -10.946 24 HA TRP 4 HA TRP 4 1.593 6.847 -9.525 25 HB2 TRP 4 2HB TRP 4 -1.413 6.948 -8.962 26 HB3 TRP 4 3HB TRP 4 -0.170 7.730 -7.977 27 HD1 TRP 4 HD1 TRP 4 1.251 9.765 -9.227 28 HE1 TRP 4 HE1 TRP 4 0.557 11.389 -11.088 29 HE3 TRP 4 HE3 TRP 4 -2.867 7.281 -11.000 30 HZ2 TRP 4 HZ2 TRP 4 -1.464 11.613 -13.036 31 HZ3 TRP 4 HZ3 TRP 4 -4.121 8.279 -12.872 32 HH2 TRP 4 HH2 TRP 4 -3.436 10.401 -13.869 33 H GLN 5 H GLN 5 2.563 5.679 -7.962 34 HA GLN 5 HA GLN 5 1.483 2.986 -7.334 35 HB2 GLN 5 2HB GLN 5 2.944 2.834 -9.274 36 HB3 GLN 5 3HB GLN 5 4.214 3.740 -8.459 37 HG2 GLN 5 2HG GLN 5 4.565 1.890 -6.895 38 HG3 GLN 5 3HG GLN 5 3.248 0.980 -7.643 39 HE21 GLN 5 1HE2 GLN 5 6.494 2.257 -8.135 40 HE22 GLN 5 2HE2 GLN 5 6.910 1.219 -9.456 41 H ILE 6 H ILE 6 1.467 2.662 -5.191 42 HA ILE 6 HA ILE 6 3.359 4.007 -3.349 43 HB ILE 6 HB ILE 6 0.764 2.507 -2.649 44 HG12 ILE 6 2HG1 ILE 6 1.010 5.538 -2.966 45 HG13 ILE 6 3HG1 ILE 6 0.290 4.472 -4.169 46 HG21 ILE 6 1HG2 ILE 6 2.386 4.519 -1.024 47 HG22 ILE 6 2HG2 ILE 6 2.312 2.776 -0.756 48 HG23 ILE 6 3HG2 ILE 6 0.872 3.763 -0.512 49 HD11 ILE 6 3HD1 ILE 6 -1.430 3.810 -2.558 50 HD12 ILE 6 1HD1 ILE 6 -1.406 5.553 -2.832 51 HD13 ILE 6 2HD1 ILE 6 -0.711 4.888 -1.356 52 H LYS 7 H LYS 7 5.128 2.573 -3.090 53 HA LYS 7 HA LYS 7 4.616 -0.319 -2.759 54 HB2 LYS 7 2HB LYS 7 7.179 1.274 -3.140 55 HB3 LYS 7 3HB LYS 7 7.184 -0.437 -2.722 56 HG2 LYS 7 2HG LYS 7 5.974 -0.969 -4.800 57 HG3 LYS 7 3HG LYS 7 5.910 0.748 -5.215 58 HD2 LYS 7 2HD LYS 7 8.335 0.849 -5.439 59 HD3 LYS 7 3HD LYS 7 8.501 -0.807 -4.840 60 HE2 LYS 7 2HE LYS 7 7.357 -1.677 -6.818 61 HE3 LYS 7 3HE LYS 7 7.061 -0.038 -7.404 62 HZ1 LYS 7 3HZ LYS 7 8.945 -1.078 -8.501 63 HZ2 LYS 7 1HZ LYS 7 9.740 -1.259 -7.026 64 HZ3 LYS 7 2HZ LYS 7 9.431 0.284 -7.642 65 H ILE 8 H ILE 8 4.084 -0.909 -0.767 66 HA ILE 8 HA ILE 8 4.973 0.624 1.595 67 HB ILE 8 HB ILE 8 2.818 -1.543 1.311 68 HG12 ILE 8 2HG1 ILE 8 2.463 1.488 1.564 69 HG13 ILE 8 3HG1 ILE 8 2.303 0.580 0.063 70 HG21 ILE 8 1HG2 ILE 8 2.051 -0.825 3.563 71 HG22 ILE 8 2HG2 ILE 8 3.417 0.284 3.682 72 HG23 ILE 8 3HG2 ILE 8 3.696 -1.456 3.612 73 HD11 ILE 8 3HD1 ILE 8 0.154 1.114 1.021 74 HD12 ILE 8 1HD1 ILE 8 0.571 0.259 2.503 75 HD13 ILE 8 2HD1 ILE 8 0.405 -0.631 0.986 76 H TYR 9 H TYR 9 6.913 -0.151 2.292 77 HA TYR 9 HA TYR 9 7.513 -3.016 2.350 78 HB2 TYR 9 2HB TYR 9 9.188 -0.592 3.159 79 HB3 TYR 9 3HB TYR 9 9.759 -2.255 3.182 80 HD1 TYR 9 HD1 TYR 9 8.905 0.624 1.018 81 HD2 TYR 9 HD2 TYR 9 10.321 -3.408 1.075 82 HE1 TYR 9 HE1 TYR 9 9.652 0.843 -1.313 83 HE2 TYR 9 HE2 TYR 9 11.063 -3.177 -1.250 84 HH TYR 9 HH TYR 9 11.211 -0.167 -2.859 85 H SER 10 H SER 10 6.491 -4.016 3.984 86 HA SER 10 HA SER 10 6.962 -3.056 6.748 87 HB2 SER 10 2HB SER 10 4.574 -2.600 6.104 88 HB3 SER 10 3HB SER 10 4.347 -4.318 5.776 89 HG SER 10 HG SER 10 5.047 -3.153 8.280 90 H GLU 11 H GLU 11 8.623 -4.422 7.070 91 HA GLU 11 HA GLU 11 8.778 -7.179 6.393 92 HB2 GLU 11 2HB GLU 11 10.705 -7.243 7.954 93 HB3 GLU 11 3HB GLU 11 10.781 -5.852 6.880 94 HG2 GLU 11 2HG GLU 11 9.851 -4.439 8.749 95 HG3 GLU 11 3HG GLU 11 9.967 -5.850 9.797 96 H ASN 12 H ASN 12 7.456 -5.473 9.154 97 HA ASN 12 HA ASN 12 6.835 -7.887 10.656 98 HB2 ASN 12 2HB ASN 12 7.350 -5.694 11.782 99 HB3 ASN 12 3HB ASN 12 5.877 -5.014 11.098 100 HD21 ASN 12 1HD2 ASN 12 7.175 -7.290 13.414 101 HD22 ASN 12 2HD2 ASN 12 5.709 -7.541 14.292 102 H GLU 13 H GLU 13 5.477 -9.156 9.501 103 HA GLU 13 HA GLU 13 3.646 -8.207 7.572 104 HB2 GLU 13 2HB GLU 13 2.951 -10.503 7.253 105 HB3 GLU 13 3HB GLU 13 4.702 -10.420 7.389 106 HG2 GLU 13 2HG GLU 13 4.684 -11.386 9.582 107 HG3 GLU 13 3HG GLU 13 2.940 -11.165 9.742 108 H ARG 14 H ARG 14 3.222 -8.806 10.981 109 HA ARG 14 HA ARG 14 0.493 -9.067 11.350 110 HB2 ARG 14 2HB ARG 14 2.095 -9.007 13.212 111 HB3 ARG 14 3HB ARG 14 2.467 -7.324 12.880 112 HG2 ARG 14 2HG ARG 14 1.067 -7.413 14.824 113 HG3 ARG 14 3HG ARG 14 0.119 -6.720 13.508 114 HD2 ARG 14 2HD ARG 14 -1.190 -8.320 14.838 115 HD3 ARG 14 3HD ARG 14 -1.013 -8.880 13.169 116 HE ARG 14 HE ARG 14 1.049 -9.920 14.852 117 HH11 ARG 14 1HH1 ARG 14 -2.344 -10.425 14.079 118 HH12 ARG 14 2HH1 ARG 14 -2.323 -12.100 14.530 119 HH21 ARG 14 1HH2 ARG 14 1.088 -12.113 15.405 120 HH22 ARG 14 2HH2 ARG 14 -0.360 -13.065 15.290 121 H GLU 15 H GLU 15 2.351 -6.130 10.769 122 HA GLU 15 HA GLU 15 0.214 -4.255 10.721 123 HB2 GLU 15 2HB GLU 15 2.977 -4.135 9.436 124 HB3 GLU 15 3HB GLU 15 1.919 -2.757 9.747 125 HG2 GLU 15 2HG GLU 15 3.134 -4.544 11.868 126 HG3 GLU 15 3HG GLU 15 3.726 -2.948 11.416 127 H PHE 16 H PHE 16 1.995 -5.983 8.219 128 HA PHE 16 HA PHE 16 0.956 -4.750 5.929 129 HB2 PHE 16 2HB PHE 16 3.027 -6.248 6.228 130 HB3 PHE 16 3HB PHE 16 1.941 -7.625 6.100 131 HD1 PHE 16 HD1 PHE 16 0.753 -8.071 3.944 132 HD2 PHE 16 HD2 PHE 16 3.671 -4.970 4.301 133 HE1 PHE 16 HE1 PHE 16 0.977 -8.002 1.500 134 HE2 PHE 16 HE2 PHE 16 3.896 -4.913 1.850 135 HZ PHE 16 HZ PHE 16 2.553 -6.431 0.454 136 H ARG 17 H ARG 17 -0.243 -7.445 7.845 137 HA ARG 17 HA ARG 17 -2.177 -8.513 6.096 138 HB2 ARG 17 2HB ARG 17 -2.090 -8.466 9.143 139 HB3 ARG 17 3HB ARG 17 -3.270 -9.393 8.222 140 HG2 ARG 17 2HG ARG 17 -0.265 -9.817 8.242 141 HG3 ARG 17 3HG ARG 17 -1.473 -10.837 9.014 142 HD2 ARG 17 2HD ARG 17 -2.379 -11.455 6.806 143 HD3 ARG 17 3HD ARG 17 -1.208 -10.394 6.017 144 HE ARG 17 HE ARG 17 0.257 -12.189 7.573 145 HH11 ARG 17 1HH1 ARG 17 -1.889 -12.380 4.782 146 HH12 ARG 17 2HH1 ARG 17 -1.124 -13.795 4.141 147 HH21 ARG 17 1HH2 ARG 17 1.264 -14.042 6.697 148 HH22 ARG 17 2HH2 ARG 17 0.661 -14.737 5.225 149 H GLU 18 H GLU 18 -2.275 -5.820 8.363 150 HA GLU 18 HA GLU 18 -5.062 -5.300 8.328 151 HB2 GLU 18 2HB GLU 18 -2.723 -3.435 8.894 152 HB3 GLU 18 3HB GLU 18 -4.411 -3.056 9.242 153 HG2 GLU 18 2HG GLU 18 -2.804 -5.320 10.463 154 HG3 GLU 18 3HG GLU 18 -3.208 -3.795 11.250 155 H LEU 19 H LEU 19 -2.383 -4.149 6.301 156 HA LEU 19 HA LEU 19 -3.908 -2.327 4.730 157 HB2 LEU 19 2HB LEU 19 -1.280 -3.742 4.189 158 HB3 LEU 19 3HB LEU 19 -2.027 -2.697 2.992 159 HG LEU 19 HG LEU 19 -0.406 -1.347 4.049 160 HD11 LEU 19 1HD1 LEU 19 -2.517 -0.156 3.738 161 HD12 LEU 19 2HD1 LEU 19 -1.664 0.453 5.153 162 HD13 LEU 19 3HD1 LEU 19 -3.050 -0.617 5.358 163 HD21 LEU 19 3HD2 LEU 19 0.096 -2.728 6.005 164 HD22 LEU 19 1HD2 LEU 19 -1.411 -2.226 6.778 165 HD23 LEU 19 2HD2 LEU 19 -0.136 -1.046 6.464 166 H ILE 20 H ILE 20 -3.165 -5.791 4.360 167 HA ILE 20 HA ILE 20 -4.361 -6.173 1.823 168 HB ILE 20 HB ILE 20 -4.125 -8.198 4.104 169 HG12 ILE 20 2HG1 ILE 20 -1.919 -7.303 3.397 170 HG13 ILE 20 3HG1 ILE 20 -2.083 -8.999 2.977 171 HG21 ILE 20 1HG2 ILE 20 -5.792 -8.960 2.476 172 HG22 ILE 20 2HG2 ILE 20 -4.339 -9.945 2.357 173 HG23 ILE 20 3HG2 ILE 20 -4.657 -8.702 1.147 174 HD11 ILE 20 3HD1 ILE 20 -0.956 -7.771 1.218 175 HD12 ILE 20 1HD1 ILE 20 -2.321 -6.667 1.064 176 HD13 ILE 20 2HD1 ILE 20 -2.507 -8.368 0.631 177 H GLU 21 H GLU 21 -5.750 -6.432 5.117 178 HA GLU 21 HA GLU 21 -8.383 -7.177 4.459 179 HB2 GLU 21 2HB GLU 21 -7.420 -5.477 6.795 180 HB3 GLU 21 3HB GLU 21 -9.012 -6.217 6.686 181 HG2 GLU 21 2HG GLU 21 -6.372 -7.700 6.844 182 HG3 GLU 21 3HG GLU 21 -7.504 -7.465 8.170 183 H ARG 22 H ARG 22 -6.932 -3.968 4.909 184 HA ARG 22 HA ARG 22 -9.264 -2.428 4.509 185 HB2 ARG 22 2HB ARG 22 -6.306 -1.783 4.441 186 HB3 ARG 22 3HB ARG 22 -7.495 -0.540 4.053 187 HG2 ARG 22 2HG ARG 22 -7.299 -2.059 6.685 188 HG3 ARG 22 3HG ARG 22 -6.794 -0.393 6.396 189 HD2 ARG 22 2HD ARG 22 -9.647 -1.454 6.264 190 HD3 ARG 22 3HD ARG 22 -8.955 -0.409 7.515 191 HE ARG 22 HE ARG 22 -8.505 1.064 5.350 192 HH11 ARG 22 1HH1 ARG 22 -11.492 -0.531 6.295 193 HH12 ARG 22 2HH1 ARG 22 -12.488 0.634 5.487 194 HH21 ARG 22 1HH2 ARG 22 -9.817 2.555 4.289 195 HH22 ARG 22 2HH2 ARG 22 -11.544 2.378 4.349 196 H LEU 23 H LEU 23 -6.825 -3.620 2.239 197 HA LEU 23 HA LEU 23 -7.864 -2.126 -0.013 198 HB2 LEU 23 2HB LEU 23 -5.833 -4.370 0.029 199 HB3 LEU 23 3HB LEU 23 -6.251 -3.419 -1.387 200 HG LEU 23 HG LEU 23 -4.870 -2.399 1.121 201 HD11 LEU 23 1HD1 LEU 23 -3.435 -3.739 -0.333 202 HD12 LEU 23 2HD1 LEU 23 -2.951 -2.048 -0.330 203 HD13 LEU 23 3HD1 LEU 23 -3.839 -2.703 -1.707 204 HD21 LEU 23 3HD2 LEU 23 -4.647 -0.238 -0.024 205 HD22 LEU 23 1HD2 LEU 23 -6.337 -0.639 0.275 206 HD23 LEU 23 2HD2 LEU 23 -5.661 -0.821 -1.344 207 H GLU 24 H GLU 24 -8.580 -5.147 1.450 208 HA GLU 24 HA GLU 24 -10.044 -6.155 -0.871 209 HB2 GLU 24 2HB GLU 24 -9.651 -7.268 1.933 210 HB3 GLU 24 3HB GLU 24 -10.751 -8.000 0.768 211 HG2 GLU 24 2HG GLU 24 -8.733 -8.161 -0.818 212 HG3 GLU 24 3HG GLU 24 -7.741 -7.766 0.584 213 H GLU 25 H GLU 25 -10.687 -4.082 1.804 214 HA GLU 25 HA GLU 25 -13.610 -4.514 1.565 215 HB2 GLU 25 2HB GLU 25 -13.881 -3.705 3.819 216 HB3 GLU 25 3HB GLU 25 -12.636 -4.949 3.826 217 HG2 GLU 25 2HG GLU 25 -10.885 -3.233 3.920 218 HG3 GLU 25 3HG GLU 25 -12.103 -1.962 3.849 219 H GLU 26 H GLU 26 -11.318 -2.383 0.456 220 HA GLU 26 HA GLU 26 -12.670 0.107 1.002 221 HB2 GLU 26 2HB GLU 26 -11.009 1.091 -0.669 222 HB3 GLU 26 3HB GLU 26 -10.319 0.335 0.754 223 HG2 GLU 26 2HG GLU 26 -8.991 -0.191 -1.205 224 HG3 GLU 26 3HG GLU 26 -9.730 -1.648 -0.552 225 H ARG 27 H ARG 27 -12.961 1.600 -1.047 226 HA ARG 27 HA ARG 27 -14.244 0.208 -3.306 227 HB2 ARG 27 2HB ARG 27 -15.668 1.796 -1.331 228 HB3 ARG 27 3HB ARG 27 -15.643 2.727 -2.816 229 HG2 ARG 27 2HG ARG 27 -17.669 1.462 -2.768 230 HG3 ARG 27 3HG ARG 27 -16.642 0.748 -4.016 231 HD2 ARG 27 2HD ARG 27 -17.730 -1.006 -2.702 232 HD3 ARG 27 3HD ARG 27 -15.985 -1.035 -2.418 233 HE ARG 27 HE ARG 27 -17.505 0.532 -0.517 234 HH11 ARG 27 1HH1 ARG 27 -16.211 -2.683 -1.153 235 HH12 ARG 27 2HH1 ARG 27 -16.239 -3.145 0.516 236 HH21 ARG 27 1HH2 ARG 27 -17.482 -0.060 1.646 237 HH22 ARG 27 2HH2 ARG 27 -16.966 -1.647 2.114 238 HA PRO 28 HA PRO 28 -14.912 0.583 -5.182 239 HB2 PRO 28 2HB PRO 28 -14.957 1.435 -7.751 240 HB3 PRO 28 3HB PRO 28 -15.697 2.399 -6.457 241 HG2 PRO 28 2HG PRO 28 -13.258 2.948 -8.014 242 HG3 PRO 28 3HG PRO 28 -14.258 4.058 -7.055 243 HD2 PRO 28 2HD PRO 28 -11.792 2.643 -6.259 244 HD3 PRO 28 3HD PRO 28 -12.623 3.990 -5.447 245 H SER 29 H SER 29 -12.717 -0.705 -4.566 246 HA SER 29 HA SER 29 -11.598 -2.606 -5.023 247 HB2 SER 29 2HB SER 29 -13.544 -3.319 -6.377 248 HB3 SER 29 3HB SER 29 -12.882 -2.496 -7.785 249 HG SER 29 HG SER 29 -11.541 -4.583 -6.409 250 H VAL 30 H VAL 30 -9.589 -1.723 -4.763 251 HA VAL 30 HA VAL 30 -8.316 -0.151 -6.846 252 HB VAL 30 HB VAL 30 -8.126 0.501 -4.429 253 HG11 VAL 30 1HG1 VAL 30 -7.953 -1.705 -3.392 254 HG12 VAL 30 2HG1 VAL 30 -6.620 -0.666 -2.899 255 HG13 VAL 30 3HG1 VAL 30 -6.350 -1.936 -4.097 256 HG21 VAL 30 3HG2 VAL 30 -5.450 -0.058 -5.779 257 HG22 VAL 30 1HG2 VAL 30 -5.717 1.083 -4.459 258 HG23 VAL 30 2HG2 VAL 30 -6.470 1.361 -6.027 259 H GLN 31 H GLN 31 -6.489 -0.693 -7.975 260 HA GLN 31 HA GLN 31 -5.801 -3.489 -8.330 261 HB2 GLN 31 2HB GLN 31 -4.490 -0.986 -9.497 262 HB3 GLN 31 3HB GLN 31 -4.249 -2.642 -10.057 263 HG2 GLN 31 2HG GLN 31 -6.575 -2.760 -10.811 264 HG3 GLN 31 3HG GLN 31 -6.892 -1.154 -10.154 265 HE21 GLN 31 1HE2 GLN 31 -5.992 0.668 -11.224 266 HE22 GLN 31 2HE2 GLN 31 -5.465 0.581 -12.867 267 H TYR 32 H TYR 32 -4.310 -4.513 -7.073 268 HA TYR 32 HA TYR 32 -1.918 -3.149 -6.140 269 HB2 TYR 32 2HB TYR 32 -2.212 -3.693 -3.768 270 HB3 TYR 32 3HB TYR 32 -3.550 -2.692 -4.306 271 HD1 TYR 32 HD1 TYR 32 -5.844 -3.700 -4.564 272 HD2 TYR 32 HD2 TYR 32 -2.607 -5.979 -2.945 273 HE1 TYR 32 HE1 TYR 32 -7.437 -5.346 -3.677 274 HE2 TYR 32 HE2 TYR 32 -4.206 -7.621 -2.064 275 HH TYR 32 HH TYR 32 -7.436 -7.731 -3.023 276 H THR 33 H THR 33 -0.258 -4.595 -5.554 277 HA THR 33 HA THR 33 -0.615 -7.470 -6.017 278 HB THR 33 HB THR 33 1.478 -5.783 -7.505 279 HG1 THR 33 HG1 THR 33 -1.073 -6.682 -8.225 280 HG21 THR 33 3HG2 THR 33 1.950 -7.881 -8.762 281 HG22 THR 33 1HG2 THR 33 0.824 -8.757 -7.716 282 HG23 THR 33 2HG2 THR 33 2.302 -8.068 -7.045 283 H GLU 34 H GLU 34 0.378 -8.474 -4.364 284 HA GLU 34 HA GLU 34 2.399 -7.159 -2.718 285 HB2 GLU 34 2HB GLU 34 0.524 -8.489 -1.734 286 HB3 GLU 34 3HB GLU 34 1.100 -9.937 -2.544 287 HG2 GLU 34 2HG GLU 34 2.823 -8.451 -0.541 288 HG3 GLU 34 3HG GLU 34 1.610 -9.611 -0.025 289 H THR 35 H THR 35 4.569 -7.666 -2.748 290 HA THR 35 HA THR 35 5.634 -9.817 -4.436 291 HB THR 35 HB THR 35 6.405 -6.880 -4.817 292 HG1 THR 35 HG1 THR 35 4.988 -6.882 -6.382 293 HG21 THR 35 3HG2 THR 35 7.810 -7.677 -6.686 294 HG22 THR 35 1HG2 THR 35 7.388 -9.350 -6.309 295 HG23 THR 35 2HG2 THR 35 8.341 -8.398 -5.169 296 H THR 36 H THR 36 6.806 -10.863 -2.885 297 HA THR 36 HA THR 36 8.219 -9.509 -0.760 298 HB THR 36 HB THR 36 8.357 -12.451 -1.605 299 HG1 THR 36 HG1 THR 36 6.329 -11.101 -0.556 300 HG21 THR 36 3HG2 THR 36 9.102 -12.868 0.714 301 HG22 THR 36 1HG2 THR 36 9.096 -11.129 1.048 302 HG23 THR 36 2HG2 THR 36 10.235 -11.808 -0.115 303 H ARG 37 H ARG 37 10.353 -8.950 -0.709 304 HA ARG 37 HA ARG 37 12.252 -10.046 -2.672 305 HB2 ARG 37 2HB ARG 37 11.471 -7.769 -3.463 306 HB3 ARG 37 3HB ARG 37 12.096 -7.069 -1.973 307 HG2 ARG 37 2HG ARG 37 13.709 -6.713 -3.760 308 HG3 ARG 37 3HG ARG 37 14.380 -7.850 -2.588 309 HD2 ARG 37 2HD ARG 37 13.706 -9.738 -4.084 310 HD3 ARG 37 3HD ARG 37 13.147 -8.564 -5.276 311 HE ARG 37 HE ARG 37 15.819 -7.979 -4.670 312 HH11 ARG 37 1HH1 ARG 37 14.004 -10.566 -6.215 313 HH12 ARG 37 2HH1 ARG 37 15.311 -11.025 -7.257 314 HH21 ARG 37 1HH2 ARG 37 17.537 -8.598 -6.078 315 HH22 ARG 37 2HH2 ARG 37 17.300 -9.920 -7.181 316 H ASN 38 H ASN 38 13.804 -10.986 -1.560 317 HA ASN 38 HA ASN 38 15.432 -11.509 -0.085 318 HB2 ASN 38 2HB ASN 38 15.301 -8.582 0.742 319 HB3 ASN 38 3HB ASN 38 16.624 -9.689 1.102 320 HD21 ASN 38 1HD2 ASN 38 16.363 -7.135 -0.492 321 HD22 ASN 38 2HD2 ASN 38 17.135 -7.505 -1.994 322 H GLY 39 H GLY 39 12.510 -11.417 0.718 323 HA2 GLY 39 2HA GLY 39 11.655 -12.636 2.583 324 HA3 GLY 39 3HA GLY 39 12.909 -11.943 3.602 325 H ARG 40 H ARG 40 12.150 -9.237 2.126 326 HA ARG 40 HA ARG 40 9.962 -8.546 3.976 327 HB2 ARG 40 2HB ARG 40 11.889 -6.804 2.381 328 HB3 ARG 40 3HB ARG 40 10.514 -6.151 3.271 329 HG2 ARG 40 2HG ARG 40 11.462 -7.099 5.371 330 HG3 ARG 40 3HG ARG 40 12.871 -7.643 4.459 331 HD2 ARG 40 2HD ARG 40 13.525 -5.374 3.972 332 HD3 ARG 40 3HD ARG 40 11.992 -4.746 4.574 333 HE ARG 40 HE ARG 40 12.716 -4.994 6.749 334 HH11 ARG 40 1HH1 ARG 40 15.188 -6.226 4.593 335 HH12 ARG 40 2HH1 ARG 40 16.397 -6.282 5.835 336 HH21 ARG 40 1HH2 ARG 40 14.270 -5.119 8.365 337 HH22 ARG 40 2HH2 ARG 40 15.880 -5.654 7.982 338 H ARG 41 H ARG 41 7.963 -8.672 3.182 339 HA ARG 41 HA ARG 41 7.372 -8.598 0.358 340 HB2 ARG 41 2HB ARG 41 5.028 -9.007 1.049 341 HB3 ARG 41 3HB ARG 41 6.136 -10.136 1.813 342 HG2 ARG 41 2HG ARG 41 6.015 -8.786 3.915 343 HG3 ARG 41 3HG ARG 41 4.833 -7.734 3.137 344 HD2 ARG 41 2HD ARG 41 3.580 -9.258 4.464 345 HD3 ARG 41 3HD ARG 41 3.378 -9.808 2.801 346 HE ARG 41 HE ARG 41 5.488 -11.273 3.733 347 HH11 ARG 41 1HH1 ARG 41 2.163 -10.852 4.810 348 HH12 ARG 41 2HH1 ARG 41 2.076 -12.418 5.547 349 HH21 ARG 41 1HH2 ARG 41 5.404 -13.280 4.814 350 HH22 ARG 41 2HH2 ARG 41 3.921 -13.805 5.553 351 H GLN 42 H GLN 42 7.025 -6.787 -0.790 352 HA GLN 42 HA GLN 42 6.141 -4.294 0.523 353 HB2 GLN 42 2HB GLN 42 6.794 -3.098 -1.473 354 HB3 GLN 42 3HB GLN 42 8.117 -4.176 -1.060 355 HG2 GLN 42 2HG GLN 42 7.533 -5.689 -2.857 356 HG3 GLN 42 3HG GLN 42 6.054 -4.799 -3.192 357 HE21 GLN 42 1HE2 GLN 42 9.147 -3.240 -2.545 358 HE22 GLN 42 2HE2 GLN 42 9.368 -2.611 -4.126 359 H LEU 43 H LEU 43 4.238 -3.236 -0.169 360 HA LEU 43 HA LEU 43 2.378 -4.846 -1.845 361 HB2 LEU 43 2HB LEU 43 1.950 -3.796 0.703 362 HB3 LEU 43 3HB LEU 43 1.254 -2.533 -0.297 363 HG LEU 43 HG LEU 43 0.446 -5.476 -0.327 364 HD11 LEU 43 1HD1 LEU 43 -1.652 -4.713 0.708 365 HD12 LEU 43 2HD1 LEU 43 -0.999 -3.078 0.833 366 HD13 LEU 43 3HD1 LEU 43 -0.252 -4.401 1.733 367 HD21 LEU 43 3HD2 LEU 43 -1.419 -4.791 -1.773 368 HD22 LEU 43 1HD2 LEU 43 0.141 -4.503 -2.543 369 HD23 LEU 43 2HD2 LEU 43 -0.765 -3.154 -1.854 370 H THR 44 H THR 44 2.609 -4.147 -3.893 371 HA THR 44 HA THR 44 3.116 -1.343 -4.550 372 HB THR 44 HB THR 44 2.789 -3.816 -6.334 373 HG1 THR 44 HG1 THR 44 4.667 -3.633 -4.842 374 HG21 THR 44 3HG2 THR 44 3.831 -2.453 -8.114 375 HG22 THR 44 1HG2 THR 44 3.829 -1.041 -7.054 376 HG23 THR 44 2HG2 THR 44 2.303 -1.744 -7.596 377 H ILE 45 H ILE 45 1.300 -0.164 -4.229 378 HA ILE 45 HA ILE 45 -1.353 -1.063 -5.160 379 HB ILE 45 HB ILE 45 -0.558 1.376 -3.475 380 HG12 ILE 45 2HG1 ILE 45 -1.798 -1.289 -2.621 381 HG13 ILE 45 3HG1 ILE 45 -0.153 -0.759 -2.286 382 HG21 ILE 45 1HG2 ILE 45 -3.343 0.280 -4.101 383 HG22 ILE 45 2HG2 ILE 45 -2.646 1.771 -4.736 384 HG23 ILE 45 3HG2 ILE 45 -2.981 1.626 -3.014 385 HD11 ILE 45 3HD1 ILE 45 -1.033 1.067 -0.917 386 HD12 ILE 45 1HD1 ILE 45 -1.539 -0.525 -0.352 387 HD13 ILE 45 2HD1 ILE 45 -2.674 0.492 -1.236 388 H ARG 46 H ARG 46 -2.193 -0.183 -6.973 389 HA ARG 46 HA ARG 46 -0.849 2.110 -8.276 390 HB2 ARG 46 2HB ARG 46 -1.754 -0.526 -9.514 391 HB3 ARG 46 3HB ARG 46 -1.280 0.890 -10.459 392 HG2 ARG 46 2HG ARG 46 0.976 0.818 -9.542 393 HG3 ARG 46 3HG ARG 46 0.528 -0.490 -8.445 394 HD2 ARG 46 2HD ARG 46 0.275 -2.038 -10.263 395 HD3 ARG 46 3HD ARG 46 0.401 -0.739 -11.459 396 HE ARG 46 HE ARG 46 2.729 -0.978 -9.771 397 HH11 ARG 46 1HH1 ARG 46 1.202 -2.122 -12.717 398 HH12 ARG 46 2HH1 ARG 46 2.688 -2.629 -13.443 399 HH21 ARG 46 1HH2 ARG 46 4.694 -1.604 -10.745 400 HH22 ARG 46 2HH2 ARG 46 4.682 -2.335 -12.320 401 H SER 47 H SER 47 -2.168 3.685 -8.658 402 HA SER 47 HA SER 47 -5.094 3.287 -8.594 403 HB2 SER 47 2HB SER 47 -4.316 4.400 -6.579 404 HB3 SER 47 3HB SER 47 -3.372 5.551 -7.524 405 HG SER 47 HG SER 47 -6.185 5.310 -7.392 406 H ASN 48 H ASN 48 -6.346 4.825 -9.764 407 HA ASN 48 HA ASN 48 -5.084 5.689 -12.302 408 HB2 ASN 48 2HB ASN 48 -7.993 5.066 -11.619 409 HB3 ASN 48 3HB ASN 48 -7.431 5.625 -13.193 410 HD21 ASN 48 1HD2 ASN 48 -6.236 4.195 -14.507 411 HD22 ASN 48 2HD2 ASN 48 -6.224 2.492 -14.217 412 H ASP 49 H ASP 49 -6.100 7.017 -9.389 413 HA ASP 49 HA ASP 49 -6.492 9.662 -10.581 414 HB2 ASP 49 2HB ASP 49 -8.778 8.733 -10.349 415 HB3 ASP 49 3HB ASP 49 -8.500 8.446 -8.635 416 H LYS 50 H LYS 50 -6.027 11.410 -9.183 417 HA LYS 50 HA LYS 50 -3.949 10.904 -7.329 418 HB2 LYS 50 2HB LYS 50 -5.425 13.490 -7.943 419 HB3 LYS 50 3HB LYS 50 -3.975 13.389 -6.947 420 HG2 LYS 50 2HG LYS 50 -4.203 12.740 -9.904 421 HG3 LYS 50 3HG LYS 50 -3.358 14.105 -9.172 422 HD2 LYS 50 2HD LYS 50 -2.599 11.170 -8.835 423 HD3 LYS 50 3HD LYS 50 -1.796 12.318 -9.904 424 HE2 LYS 50 2HE LYS 50 -1.945 12.605 -6.883 425 HE3 LYS 50 3HE LYS 50 -0.570 11.939 -7.764 426 HZ1 LYS 50 3HZ LYS 50 -0.324 14.045 -8.908 427 HZ2 LYS 50 1HZ LYS 50 -0.231 14.258 -7.234 428 HZ3 LYS 50 2HZ LYS 50 -1.638 14.691 -8.064 429 H ASN 51 H ASN 51 -7.379 11.689 -6.835 430 HA ASN 51 HA ASN 51 -7.137 12.044 -3.977 431 HB2 ASN 51 2HB ASN 51 -9.653 11.376 -5.570 432 HB3 ASN 51 3HB ASN 51 -9.597 11.997 -3.921 433 HD21 ASN 51 1HD2 ASN 51 -9.350 12.797 -7.288 434 HD22 ASN 51 2HD2 ASN 51 -9.309 14.511 -7.081 435 H GLU 52 H GLU 52 -7.698 9.349 -6.154 436 HA GLU 52 HA GLU 52 -8.556 7.448 -4.182 437 HB2 GLU 52 2HB GLU 52 -9.150 7.241 -6.571 438 HB3 GLU 52 3HB GLU 52 -7.459 7.000 -6.994 439 HG2 GLU 52 2HG GLU 52 -7.452 4.890 -5.690 440 HG3 GLU 52 3HG GLU 52 -9.155 5.135 -5.301 441 H VAL 53 H VAL 53 -5.435 8.148 -5.762 442 HA VAL 53 HA VAL 53 -3.966 6.062 -4.505 443 HB VAL 53 HB VAL 53 -3.182 7.272 -6.594 444 HG11 VAL 53 1HG1 VAL 53 -1.903 9.356 -6.441 445 HG12 VAL 53 2HG1 VAL 53 -2.282 9.478 -4.721 446 HG13 VAL 53 3HG1 VAL 53 -3.571 9.597 -5.916 447 HG21 VAL 53 3HG2 VAL 53 -1.669 5.779 -5.369 448 HG22 VAL 53 1HG2 VAL 53 -1.145 7.117 -4.341 449 HG23 VAL 53 2HG2 VAL 53 -0.774 7.125 -6.067 450 H ASP 54 H ASP 54 -4.674 9.421 -3.665 451 HA ASP 54 HA ASP 54 -2.806 9.575 -1.503 452 HB2 ASP 54 2HB ASP 54 -3.641 11.521 -2.931 453 HB3 ASP 54 3HB ASP 54 -5.143 11.455 -2.013 454 H ARG 55 H ARG 55 -6.155 8.669 -1.803 455 HA ARG 55 HA ARG 55 -7.125 8.859 0.830 456 HB2 ARG 55 2HB ARG 55 -8.319 8.248 -1.432 457 HB3 ARG 55 3HB ARG 55 -7.880 6.591 -1.079 458 HG2 ARG 55 2HG ARG 55 -9.520 8.234 0.875 459 HG3 ARG 55 3HG ARG 55 -10.273 7.440 -0.498 460 HD2 ARG 55 2HD ARG 55 -10.607 5.929 1.265 461 HD3 ARG 55 3HD ARG 55 -9.211 5.259 0.425 462 HE ARG 55 HE ARG 55 -7.909 5.689 2.251 463 HH11 ARG 55 1HH1 ARG 55 -11.025 7.227 2.794 464 HH12 ARG 55 2HH1 ARG 55 -10.669 7.596 4.451 465 HH21 ARG 55 1HH2 ARG 55 -7.441 6.269 4.374 466 HH22 ARG 55 2HH2 ARG 55 -8.643 7.056 5.349 467 H ILE 56 H ILE 56 -5.470 6.180 -0.836 468 HA ILE 56 HA ILE 56 -5.391 4.498 1.539 469 HB ILE 56 HB ILE 56 -4.021 4.083 -1.166 470 HG12 ILE 56 2HG1 ILE 56 -6.748 3.045 -0.206 471 HG13 ILE 56 3HG1 ILE 56 -6.522 4.343 -1.372 472 HG21 ILE 56 1HG2 ILE 56 -4.683 2.099 1.060 473 HG22 ILE 56 2HG2 ILE 56 -3.072 2.688 0.643 474 HG23 ILE 56 3HG2 ILE 56 -3.965 1.694 -0.504 475 HD11 ILE 56 3HD1 ILE 56 -7.099 2.282 -2.472 476 HD12 ILE 56 1HD1 ILE 56 -5.721 1.464 -1.739 477 HD13 ILE 56 2HD1 ILE 56 -5.460 2.758 -2.911 478 H LEU 57 H LEU 57 -3.224 6.584 -0.270 479 HA LEU 57 HA LEU 57 -0.722 5.972 0.779 480 HB2 LEU 57 2HB LEU 57 -1.247 7.454 -1.181 481 HB3 LEU 57 3HB LEU 57 -1.771 8.696 -0.060 482 HG LEU 57 HG LEU 57 0.578 8.801 0.843 483 HD11 LEU 57 1HD1 LEU 57 1.221 6.934 -1.455 484 HD12 LEU 57 2HD1 LEU 57 1.367 6.582 0.269 485 HD13 LEU 57 3HD1 LEU 57 2.403 7.797 -0.467 486 HD21 LEU 57 3HD2 LEU 57 0.294 9.340 -2.139 487 HD22 LEU 57 1HD2 LEU 57 1.490 10.070 -1.061 488 HD23 LEU 57 2HD2 LEU 57 -0.222 10.418 -0.839 489 H GLU 58 H GLU 58 -3.158 8.291 1.981 490 HA GLU 58 HA GLU 58 -1.624 9.229 4.210 491 HB2 GLU 58 2HB GLU 58 -3.724 10.286 4.980 492 HB3 GLU 58 3HB GLU 58 -3.466 10.577 3.265 493 HG2 GLU 58 2HG GLU 58 -5.075 8.757 2.729 494 HG3 GLU 58 3HG GLU 58 -5.346 8.518 4.451 495 H GLU 59 H GLU 59 -3.962 6.670 3.709 496 HA GLU 59 HA GLU 59 -4.716 6.194 6.373 497 HB2 GLU 59 2HB GLU 59 -6.041 5.537 4.387 498 HB3 GLU 59 3HB GLU 59 -4.839 4.317 3.972 499 HG2 GLU 59 2HG GLU 59 -5.341 3.066 5.991 500 HG3 GLU 59 3HG GLU 59 -6.427 4.340 6.555 501 H VAL 60 H VAL 60 -2.448 4.439 4.248 502 HA VAL 60 HA VAL 60 -1.554 2.534 6.111 503 HB VAL 60 HB VAL 60 -1.122 2.214 3.739 504 HG11 VAL 60 1HG1 VAL 60 -0.778 4.538 3.028 505 HG12 VAL 60 2HG1 VAL 60 0.538 3.510 2.466 506 HG13 VAL 60 3HG1 VAL 60 0.787 4.579 3.849 507 HG21 VAL 60 3HG2 VAL 60 1.514 2.469 5.251 508 HG22 VAL 60 1HG2 VAL 60 1.243 1.493 3.810 509 HG23 VAL 60 2HG2 VAL 60 0.412 1.090 5.312 510 H ARG 61 H ARG 61 -0.436 5.824 5.472 511 HA ARG 61 HA ARG 61 1.928 5.749 7.076 512 HB2 ARG 61 2HB ARG 61 0.263 8.023 5.930 513 HB3 ARG 61 3HB ARG 61 1.731 8.313 6.859 514 HG2 ARG 61 2HG ARG 61 3.072 7.115 5.204 515 HG3 ARG 61 3HG ARG 61 1.619 6.680 4.300 516 HD2 ARG 61 2HD ARG 61 2.883 8.575 3.281 517 HD3 ARG 61 3HD ARG 61 1.225 9.009 3.702 518 HE ARG 61 HE ARG 61 2.504 9.848 5.877 519 HH11 ARG 61 1HH1 ARG 61 3.389 10.383 2.504 520 HH12 ARG 61 2HH1 ARG 61 4.173 11.893 2.838 521 HH21 ARG 61 1HH2 ARG 61 3.495 11.808 6.296 522 HH22 ARG 61 2HH2 ARG 61 4.237 12.717 5.010 523 H ARG 62 H ARG 62 -1.450 6.269 7.822 524 HA ARG 62 HA ARG 62 -0.861 7.266 10.530 525 HB2 ARG 62 2HB ARG 62 -3.568 6.729 9.225 526 HB3 ARG 62 3HB ARG 62 -3.301 7.555 10.756 527 HG2 ARG 62 2HG ARG 62 -2.474 8.557 8.019 528 HG3 ARG 62 3HG ARG 62 -3.840 9.134 8.965 529 HD2 ARG 62 2HD ARG 62 -2.240 9.942 10.703 530 HD3 ARG 62 3HD ARG 62 -0.899 9.418 9.679 531 HE ARG 62 HE ARG 62 -2.587 11.140 8.214 532 HH11 ARG 62 1HH1 ARG 62 -0.199 11.302 10.798 533 HH12 ARG 62 2HH1 ARG 62 0.236 12.943 10.446 534 HH21 ARG 62 1HH2 ARG 62 -2.030 13.271 7.775 535 HH22 ARG 62 2HH2 ARG 62 -0.813 14.068 8.719 536 H LYS 63 H LYS 63 -1.872 4.310 8.907 537 HA LYS 63 HA LYS 63 -2.905 2.978 11.264 538 HB2 LYS 63 2HB LYS 63 -2.223 1.874 8.492 539 HB3 LYS 63 3HB LYS 63 -2.943 0.914 9.777 540 HG2 LYS 63 2HG LYS 63 -4.223 3.313 8.435 541 HG3 LYS 63 3HG LYS 63 -4.602 1.622 8.112 542 HD2 LYS 63 2HD LYS 63 -5.409 1.357 10.433 543 HD3 LYS 63 3HD LYS 63 -5.013 3.045 10.771 544 HE2 LYS 63 2HE LYS 63 -6.659 3.767 9.064 545 HE3 LYS 63 3HE LYS 63 -7.053 2.076 8.735 546 HZ1 LYS 63 3HZ LYS 63 -7.798 1.863 11.044 547 HZ2 LYS 63 1HZ LYS 63 -8.668 3.053 10.213 548 HZ3 LYS 63 2HZ LYS 63 -7.463 3.500 11.314 549 H VAL 64 H VAL 64 0.100 2.960 9.416 550 HA VAL 64 HA VAL 64 1.383 1.184 11.402 551 HB VAL 64 HB VAL 64 1.743 1.011 8.366 552 HG11 VAL 64 1HG1 VAL 64 2.928 -0.726 10.563 553 HG12 VAL 64 2HG1 VAL 64 3.799 0.443 9.570 554 HG13 VAL 64 3HG1 VAL 64 3.101 -0.993 8.825 555 HG21 VAL 64 3HG2 VAL 64 -0.447 0.106 9.020 556 HG22 VAL 64 1HG2 VAL 64 0.318 -0.941 10.218 557 HG23 VAL 64 2HG2 VAL 64 0.629 -1.188 8.498 558 HA PRO 65 HA PRO 65 4.320 4.698 11.097 559 HB2 PRO 65 2HB PRO 65 5.670 4.241 13.393 560 HB3 PRO 65 3HB PRO 65 3.993 4.824 13.418 561 HG2 PRO 65 2HG PRO 65 5.019 2.029 13.807 562 HG3 PRO 65 3HG PRO 65 3.795 2.917 14.745 563 HD2 PRO 65 2HD PRO 65 3.160 1.112 12.765 564 HD3 PRO 65 3HD PRO 65 2.115 2.472 13.226 565 H ASN 66 H ASN 66 4.998 1.318 11.024 566 HA ASN 66 HA ASN 66 7.845 1.702 10.308 567 HB2 ASN 66 2HB ASN 66 8.083 -0.738 10.655 568 HB3 ASN 66 3HB ASN 66 7.448 0.057 12.088 569 HD21 ASN 66 1HD2 ASN 66 5.276 -0.264 12.667 570 HD22 ASN 66 2HD2 ASN 66 4.347 -1.576 12.037 571 H ALA 67 H ALA 67 4.926 1.598 8.766 572 HA ALA 67 HA ALA 67 5.584 0.022 6.453 573 HB1 ALA 67 3HB ALA 67 3.645 1.174 5.399 574 HB2 ALA 67 1HB ALA 67 3.498 2.208 6.823 575 HB3 ALA 67 2HB ALA 67 3.232 0.470 6.962 576 H ARG 68 H ARG 68 7.638 0.711 5.805 577 HA ARG 68 HA ARG 68 8.312 3.414 5.224 578 HB2 ARG 68 2HB ARG 68 10.049 1.669 5.559 579 HB3 ARG 68 3HB ARG 68 9.483 0.812 4.134 580 HG2 ARG 68 2HG ARG 68 11.516 2.047 3.606 581 HG3 ARG 68 3HG ARG 68 10.155 2.717 2.703 582 HD2 ARG 68 2HD ARG 68 9.956 4.505 4.479 583 HD3 ARG 68 3HD ARG 68 11.446 3.881 5.194 584 HE ARG 68 HE ARG 68 12.471 4.370 2.946 585 HH11 ARG 68 1HH1 ARG 68 9.771 6.271 4.150 586 HH12 ARG 68 2HH1 ARG 68 10.207 7.682 3.239 587 HH21 ARG 68 1HH2 ARG 68 13.043 6.212 1.770 588 HH22 ARG 68 2HH2 ARG 68 12.073 7.651 1.888 589 H VAL 69 H VAL 69 6.989 4.503 3.886 590 HA VAL 69 HA VAL 69 5.709 3.182 1.600 591 HB VAL 69 HB VAL 69 5.300 5.977 2.809 592 HG11 VAL 69 1HG1 VAL 69 3.787 4.651 0.518 593 HG12 VAL 69 2HG1 VAL 69 4.848 6.056 0.398 594 HG13 VAL 69 3HG1 VAL 69 3.341 6.170 1.300 595 HG21 VAL 69 3HG2 VAL 69 3.110 5.069 3.551 596 HG22 VAL 69 1HG2 VAL 69 4.453 4.156 4.237 597 HG23 VAL 69 2HG2 VAL 69 3.532 3.487 2.889 598 H ARG 70 H ARG 70 6.997 3.050 -0.068 599 HA ARG 70 HA ARG 70 8.740 5.197 -0.970 600 HB2 ARG 70 2HB ARG 70 9.439 2.794 -1.119 601 HB3 ARG 70 3HB ARG 70 8.079 2.470 -2.179 602 HG2 ARG 70 2HG ARG 70 10.101 2.645 -3.487 603 HG3 ARG 70 3HG ARG 70 9.046 4.005 -3.868 604 HD2 ARG 70 2HD ARG 70 10.411 5.433 -2.321 605 HD3 ARG 70 3HD ARG 70 11.496 4.067 -2.072 606 HE ARG 70 HE ARG 70 12.140 4.193 -4.380 607 HH11 ARG 70 1HH1 ARG 70 10.335 6.979 -3.231 608 HH12 ARG 70 2HH1 ARG 70 10.914 8.018 -4.492 609 HH21 ARG 70 1HH2 ARG 70 12.859 5.543 -6.043 610 HH22 ARG 70 2HH2 ARG 70 12.357 7.205 -6.097 611 H GLU 71 H GLU 71 7.520 6.860 -1.730 612 HA GLU 71 HA GLU 71 5.078 6.445 -3.280 613 HB2 GLU 71 2HB GLU 71 5.263 8.250 -1.528 614 HB3 GLU 71 3HB GLU 71 6.501 9.035 -2.503 615 HG2 GLU 71 2HG GLU 71 4.791 9.243 -4.350 616 HG3 GLU 71 3HG GLU 71 3.574 8.649 -3.220 617 H THR 72 H THR 72 5.337 5.974 -5.364 618 HA THR 72 HA THR 72 7.433 7.299 -6.977 619 HB THR 72 HB THR 72 7.679 5.103 -8.250 620 HG1 THR 72 HG1 THR 72 5.698 4.379 -6.601 621 HG21 THR 72 3HG2 THR 72 9.400 5.785 -6.630 622 HG22 THR 72 1HG2 THR 72 9.180 4.035 -6.597 623 HG23 THR 72 2HG2 THR 72 8.487 5.036 -5.320 624 H GLU 73 H GLU 73 6.847 7.883 -8.996 625 HA GLU 73 HA GLU 73 4.166 7.155 -10.038 626 HB2 GLU 73 2HB GLU 73 6.003 9.476 -10.780 627 HB3 GLU 73 3HB GLU 73 4.501 9.086 -11.616 628 HG2 GLU 73 2HG GLU 73 3.244 9.496 -9.516 629 HG3 GLU 73 3HG GLU 73 4.757 9.932 -8.720 630 H THR 74 H THR 74 4.087 6.890 -12.418 631 HA THR 74 HA THR 74 6.524 5.863 -13.713 632 HB THR 74 HB THR 74 3.927 4.259 -13.822 633 HG1 THR 74 HG1 THR 74 6.102 3.818 -12.027 634 HG21 THR 74 3HG2 THR 74 5.610 3.818 -15.591 635 HG22 THR 74 1HG2 THR 74 5.409 2.420 -14.532 636 HG23 THR 74 2HG2 THR 74 6.815 3.471 -14.351 637 H GLY 75 H GLY 75 6.420 6.105 -16.008 638 HA2 GLY 75 2HA GLY 75 4.719 6.402 -17.923 639 HA3 GLY 75 3HA GLY 75 4.212 7.814 -17.000 640 H SER 76 H SER 76 7.128 6.319 -18.379 641 HA SER 76 HA SER 76 8.727 8.663 -18.383 642 HB2 SER 76 2HB SER 76 9.612 6.313 -18.361 643 HB3 SER 76 3HB SER 76 9.071 6.119 -20.028 644 HG SER 76 HG SER 76 10.456 8.168 -20.300 645 H LEU 77 H LEU 77 7.715 10.337 -19.417 646 HA LEU 77 HA LEU 77 7.139 10.110 -22.313 647 HB2 LEU 77 2HB LEU 77 5.780 11.914 -20.268 648 HB3 LEU 77 3HB LEU 77 5.441 11.893 -21.991 649 HG LEU 77 HG LEU 77 4.891 9.602 -20.061 650 HD11 LEU 77 1HD1 LEU 77 3.378 11.487 -19.665 651 HD12 LEU 77 2HD1 LEU 77 2.511 10.122 -20.362 652 HD13 LEU 77 3HD1 LEU 77 2.928 11.508 -21.373 653 HD21 LEU 77 3HD2 LEU 77 3.679 8.537 -21.930 654 HD22 LEU 77 1HD2 LEU 77 5.392 8.738 -22.292 655 HD23 LEU 77 2HD2 LEU 77 4.206 9.830 -23.010 656 H GLU 78 H GLU 78 9.115 10.805 -23.019 657 HA GLU 78 HA GLU 78 10.147 13.438 -22.225 658 HB2 GLU 78 2HB GLU 78 11.347 11.267 -24.013 659 HB3 GLU 78 3HB GLU 78 12.103 12.827 -23.719 660 HG2 GLU 78 2HG GLU 78 13.186 11.186 -22.355 661 HG3 GLU 78 3HG GLU 78 12.276 12.263 -21.301 662 H HIS 79 H HIS 79 10.116 15.190 -23.629 663 HA HIS 79 HA HIS 79 8.520 15.082 -26.023 664 HB2 HIS 79 2HB HIS 79 9.003 17.450 -26.292 665 HB3 HIS 79 3HB HIS 79 8.656 17.148 -24.600 666 HD1 HIS 79 HD1 HIS 79 11.448 18.129 -26.913 667 HD2 HIS 79 HD2 HIS 79 10.786 17.645 -22.836 668 HE1 HIS 79 HE1 HIS 79 13.471 19.087 -25.780 669 HE2 HIS 79 HE2 HIS 79 13.116 18.646 -23.332 670 H HIS 80 H HIS 80 9.217 14.738 -28.092 671 HA HIS 80 HA HIS 80 12.026 14.955 -28.817 672 HB2 HIS 80 2HB HIS 80 12.165 12.643 -29.712 673 HB3 HIS 80 3HB HIS 80 11.933 12.651 -27.973 674 HD1 HIS 80 HD1 HIS 80 10.399 11.483 -31.129 675 HD2 HIS 80 HD2 HIS 80 9.374 11.699 -27.108 676 HE1 HIS 80 HE1 HIS 80 8.421 9.972 -30.861 677 HE2 HIS 80 HE2 HIS 80 7.699 10.279 -28.485 678 H HIS 81 H HIS 81 12.117 15.918 -30.702 679 HA HIS 81 HA HIS 81 10.446 15.196 -32.948 680 HB2 HIS 81 2HB HIS 81 9.082 16.955 -31.686 681 HB3 HIS 81 3HB HIS 81 10.380 18.102 -31.979 682 HD1 HIS 81 HD1 HIS 81 10.608 19.032 -34.426 683 HD2 HIS 81 HD2 HIS 81 7.445 16.383 -33.900 684 HE1 HIS 81 HE1 HIS 81 9.201 19.239 -36.490 685 HE2 HIS 81 HE2 HIS 81 7.222 17.755 -36.084 686 H HIS 82 H HIS 82 11.379 15.946 -34.919 687 HA HIS 82 HA HIS 82 13.810 17.542 -34.893 688 HB2 HIS 82 2HB HIS 82 15.185 15.829 -36.049 689 HB3 HIS 82 3HB HIS 82 14.700 15.263 -34.456 690 HD1 HIS 82 HD1 HIS 82 14.344 14.511 -38.084 691 HD2 HIS 82 HD2 HIS 82 12.895 13.068 -34.470 692 HE1 HIS 82 HE1 HIS 82 13.251 12.328 -38.624 693 HE2 HIS 82 HE2 HIS 82 12.245 11.556 -36.468 694 H HIS 83 H HIS 83 14.670 17.549 -37.310 695 HA HIS 83 HA HIS 83 12.721 17.185 -39.395 696 HB2 HIS 83 2HB HIS 83 12.459 19.521 -40.060 697 HB3 HIS 83 3HB HIS 83 11.955 19.372 -38.385 698 HD1 HIS 83 HD1 HIS 83 14.294 21.185 -40.569 699 HD2 HIS 83 HD2 HIS 83 13.878 20.477 -36.492 700 HE1 HIS 83 HE1 HIS 83 15.769 22.870 -39.436 701 HE2 HIS 83 HE2 HIS 83 15.515 22.421 -36.977 702 H HIS 84 H HIS 84 13.650 17.649 -41.519 703 HA HIS 84 HA HIS 84 16.486 17.416 -41.804 704 HB2 HIS 84 2HB HIS 84 14.992 16.624 -43.588 705 HB3 HIS 84 3HB HIS 84 14.326 18.237 -43.810 706 HD1 HIS 84 HD1 HIS 84 15.962 20.027 -44.923 707 HD2 HIS 84 HD2 HIS 84 17.297 16.093 -45.049 708 HE1 HIS 84 HE1 HIS 84 17.797 19.997 -46.626 709 HE2 HIS 84 HE2 HIS 84 18.501 17.590 -46.784 Start of MODEL 15 1 H1 MET 1 1H MET 1 1.135 10.073 -17.640 2 H2 MET 1 2H MET 1 1.559 8.794 -18.660 3 H3 MET 1 3H MET 1 1.305 10.336 -19.303 4 HA MET 1 HA MET 1 3.640 9.850 -19.194 5 HB2 MET 1 2HB MET 1 2.733 11.935 -17.161 6 HB3 MET 1 3HB MET 1 4.365 11.835 -17.809 7 HG2 MET 1 2HG MET 1 3.466 12.277 -20.071 8 HG3 MET 1 3HG MET 1 1.853 12.441 -19.384 9 HE1 MET 1 3HE MET 1 2.291 15.698 -17.180 10 HE2 MET 1 1HE MET 1 2.465 14.032 -16.626 11 HE3 MET 1 2HE MET 1 1.147 14.469 -17.719 12 H GLY 2 H GLY 2 1.946 9.428 -16.100 13 HA2 GLY 2 2HA GLY 2 3.973 7.531 -15.202 14 HA3 GLY 2 3HA GLY 2 3.817 8.984 -14.224 15 H GLN 3 H GLN 3 2.912 5.831 -14.333 16 HA GLN 3 HA GLN 3 0.198 6.038 -13.342 17 HB2 GLN 3 2HB GLN 3 0.829 3.972 -14.468 18 HB3 GLN 3 3HB GLN 3 2.164 3.703 -13.353 19 HG2 GLN 3 2HG GLN 3 0.582 3.318 -11.512 20 HG3 GLN 3 3HG GLN 3 -0.778 3.668 -12.575 21 HE21 GLN 3 1HE2 GLN 3 1.770 1.359 -11.838 22 HE22 GLN 3 2HE2 GLN 3 1.053 0.022 -12.665 23 H TRP 4 H TRP 4 -0.396 6.440 -11.325 24 HA TRP 4 HA TRP 4 1.584 7.157 -9.339 25 HB2 TRP 4 2HB TRP 4 -1.463 7.290 -9.284 26 HB3 TRP 4 3HB TRP 4 -0.383 8.032 -8.103 27 HD1 TRP 4 HD1 TRP 4 1.018 10.185 -8.888 28 HE1 TRP 4 HE1 TRP 4 0.737 11.825 -10.834 29 HE3 TRP 4 HE3 TRP 4 -2.290 7.520 -11.747 30 HZ2 TRP 4 HZ2 TRP 4 -0.694 12.001 -13.243 31 HZ3 TRP 4 HZ3 TRP 4 -3.070 8.508 -13.866 32 HH2 TRP 4 HH2 TRP 4 -2.286 10.708 -14.594 33 H GLN 5 H GLN 5 2.255 5.889 -7.709 34 HA GLN 5 HA GLN 5 0.914 3.345 -7.116 35 HB2 GLN 5 2HB GLN 5 2.398 3.112 -9.192 36 HB3 GLN 5 3HB GLN 5 3.786 3.481 -8.183 37 HG2 GLN 5 2HG GLN 5 1.968 1.125 -7.629 38 HG3 GLN 5 3HG GLN 5 3.337 1.020 -8.725 39 HE21 GLN 5 1HE2 GLN 5 5.141 2.668 -7.226 40 HE22 GLN 5 2HE2 GLN 5 5.554 1.809 -5.794 41 H ILE 6 H ILE 6 1.517 2.438 -5.127 42 HA ILE 6 HA ILE 6 3.291 3.991 -3.322 43 HB ILE 6 HB ILE 6 0.604 2.756 -2.524 44 HG12 ILE 6 2HG1 ILE 6 1.149 5.741 -2.850 45 HG13 ILE 6 3HG1 ILE 6 0.373 4.759 -4.086 46 HG21 ILE 6 1HG2 ILE 6 2.207 2.861 -0.664 47 HG22 ILE 6 2HG2 ILE 6 0.894 4.010 -0.401 48 HG23 ILE 6 3HG2 ILE 6 2.465 4.586 -0.955 49 HD11 ILE 6 3HD1 ILE 6 -1.259 5.972 -2.809 50 HD12 ILE 6 1HD1 ILE 6 -0.678 5.253 -1.308 51 HD13 ILE 6 2HD1 ILE 6 -1.441 4.241 -2.539 52 H LYS 7 H LYS 7 4.968 2.530 -2.961 53 HA LYS 7 HA LYS 7 4.381 -0.331 -2.555 54 HB2 LYS 7 2HB LYS 7 6.952 1.213 -3.021 55 HB3 LYS 7 3HB LYS 7 7.002 -0.425 -2.367 56 HG2 LYS 7 2HG LYS 7 5.934 -1.327 -4.318 57 HG3 LYS 7 3HG LYS 7 5.608 0.284 -4.954 58 HD2 LYS 7 2HD LYS 7 8.047 0.673 -5.186 59 HD3 LYS 7 3HD LYS 7 8.354 -0.960 -4.583 60 HE2 LYS 7 2HE LYS 7 7.146 -1.902 -6.513 61 HE3 LYS 7 3HE LYS 7 6.812 -0.273 -7.105 62 HZ1 LYS 7 3HZ LYS 7 9.110 0.106 -7.461 63 HZ2 LYS 7 1HZ LYS 7 8.738 -1.382 -8.170 64 HZ3 LYS 7 2HZ LYS 7 9.547 -1.332 -6.690 65 H ILE 8 H ILE 8 4.722 -1.372 -0.647 66 HA ILE 8 HA ILE 8 5.304 0.250 1.778 67 HB ILE 8 HB ILE 8 3.553 -2.256 1.565 68 HG12 ILE 8 2HG1 ILE 8 2.618 0.638 1.851 69 HG13 ILE 8 3HG1 ILE 8 2.562 -0.280 0.353 70 HG21 ILE 8 1HG2 ILE 8 3.918 -0.328 3.884 71 HG22 ILE 8 2HG2 ILE 8 4.542 -1.977 3.800 72 HG23 ILE 8 3HG2 ILE 8 2.800 -1.693 3.853 73 HD11 ILE 8 3HD1 ILE 8 1.038 -0.951 2.872 74 HD12 ILE 8 1HD1 ILE 8 0.977 -1.831 1.342 75 HD13 ILE 8 2HD1 ILE 8 0.392 -0.173 1.428 76 H TYR 9 H TYR 9 7.095 -0.428 2.914 77 HA TYR 9 HA TYR 9 8.181 -3.164 2.508 78 HB2 TYR 9 2HB TYR 9 9.767 -0.551 2.695 79 HB3 TYR 9 3HB TYR 9 10.491 -2.155 2.761 80 HD1 TYR 9 HD2 TYR 9 10.544 -3.590 0.738 81 HD2 TYR 9 HD1 TYR 9 9.052 0.416 0.563 82 HE1 TYR 9 HE2 TYR 9 10.742 -3.619 -1.706 83 HE2 TYR 9 HE1 TYR 9 9.255 0.382 -1.887 84 HH TYR 9 HH TYR 9 10.548 -0.816 -3.602 85 H SER 10 H SER 10 7.812 -4.138 4.431 86 HA SER 10 HA SER 10 8.906 -2.923 6.865 87 HB2 SER 10 2HB SER 10 6.496 -2.390 6.977 88 HB3 SER 10 3HB SER 10 6.082 -4.081 6.714 89 HG SER 10 HG SER 10 6.296 -3.009 8.986 90 H GLU 11 H GLU 11 9.255 -4.477 8.541 91 HA GLU 11 HA GLU 11 10.325 -6.983 7.502 92 HB2 GLU 11 2HB GLU 11 10.486 -5.815 10.321 93 HB3 GLU 11 3HB GLU 11 11.403 -7.188 9.715 94 HG2 GLU 11 2HG GLU 11 12.891 -5.319 9.796 95 HG3 GLU 11 3HG GLU 11 12.543 -5.634 8.099 96 H ASN 12 H ASN 12 7.998 -5.785 9.840 97 HA ASN 12 HA ASN 12 6.986 -8.384 10.627 98 HB2 ASN 12 2HB ASN 12 7.049 -6.318 12.128 99 HB3 ASN 12 3HB ASN 12 5.777 -5.621 11.134 100 HD21 ASN 12 1HD2 ASN 12 5.512 -6.009 13.871 101 HD22 ASN 12 2HD2 ASN 12 4.306 -7.210 14.168 102 H GLU 13 H GLU 13 5.574 -9.493 9.408 103 HA GLU 13 HA GLU 13 4.469 -8.485 6.994 104 HB2 GLU 13 2HB GLU 13 3.534 -10.734 6.697 105 HB3 GLU 13 3HB GLU 13 5.221 -10.794 7.176 106 HG2 GLU 13 2HG GLU 13 4.340 -12.516 8.437 107 HG3 GLU 13 3HG GLU 13 4.264 -11.188 9.583 108 H ARG 14 H ARG 14 3.270 -8.663 10.245 109 HA ARG 14 HA ARG 14 0.495 -8.655 9.864 110 HB2 ARG 14 2HB ARG 14 1.565 -9.000 12.072 111 HB3 ARG 14 3HB ARG 14 2.104 -7.325 12.089 112 HG2 ARG 14 2HG ARG 14 0.175 -7.584 13.532 113 HG3 ARG 14 3HG ARG 14 -0.262 -6.581 12.151 114 HD2 ARG 14 2HD ARG 14 -0.917 -9.253 11.381 115 HD3 ARG 14 3HD ARG 14 -1.447 -9.096 13.055 116 HE ARG 14 HE ARG 14 -2.426 -6.855 11.888 117 HH11 ARG 14 1HH1 ARG 14 -2.712 -10.271 11.059 118 HH12 ARG 14 2HH1 ARG 14 -4.273 -10.076 10.325 119 HH21 ARG 14 1HH2 ARG 14 -4.446 -6.621 10.896 120 HH22 ARG 14 2HH2 ARG 14 -5.251 -8.002 10.234 121 H GLU 15 H GLU 15 2.844 -6.088 9.630 122 HA GLU 15 HA GLU 15 1.137 -3.848 9.612 123 HB2 GLU 15 2HB GLU 15 3.833 -4.185 8.245 124 HB3 GLU 15 3HB GLU 15 3.074 -2.662 8.674 125 HG2 GLU 15 2HG GLU 15 4.296 -4.730 10.496 126 HG3 GLU 15 3HG GLU 15 4.733 -3.033 10.324 127 H PHE 16 H PHE 16 2.212 -6.041 7.093 128 HA PHE 16 HA PHE 16 0.935 -4.711 4.899 129 HB2 PHE 16 2HB PHE 16 2.006 -7.543 5.251 130 HB3 PHE 16 3HB PHE 16 1.311 -6.955 3.739 131 HD1 PHE 16 HD2 PHE 16 4.170 -6.639 6.068 132 HD2 PHE 16 HD1 PHE 16 2.471 -5.363 2.360 133 HE1 PHE 16 HE2 PHE 16 6.308 -5.617 5.424 134 HE2 PHE 16 HE1 PHE 16 4.603 -4.346 1.732 135 HZ PHE 16 HZ PHE 16 6.523 -4.460 3.265 136 H ARG 17 H ARG 17 0.041 -7.342 7.122 137 HA ARG 17 HA ARG 17 -2.297 -8.262 5.868 138 HB2 ARG 17 2HB ARG 17 -1.799 -8.155 8.872 139 HB3 ARG 17 3HB ARG 17 -2.920 -9.225 8.038 140 HG2 ARG 17 2HG ARG 17 0.092 -9.289 7.769 141 HG3 ARG 17 3HG ARG 17 -0.859 -10.360 8.788 142 HD2 ARG 17 2HD ARG 17 -1.121 -10.188 5.778 143 HD3 ARG 17 3HD ARG 17 -0.124 -11.369 6.631 144 HE ARG 17 HE ARG 17 -3.047 -11.263 6.529 145 HH11 ARG 17 1HH1 ARG 17 -0.192 -12.910 7.828 146 HH12 ARG 17 2HH1 ARG 17 -1.090 -14.340 8.262 147 HH21 ARG 17 1HH2 ARG 17 -4.150 -13.169 7.018 148 HH22 ARG 17 2HH2 ARG 17 -3.321 -14.480 7.800 149 H GLU 18 H GLU 18 -1.773 -5.548 8.084 150 HA GLU 18 HA GLU 18 -4.357 -4.652 8.573 151 HB2 GLU 18 2HB GLU 18 -1.848 -3.009 8.017 152 HB3 GLU 18 3HB GLU 18 -3.326 -2.347 8.698 153 HG2 GLU 18 2HG GLU 18 -1.559 -4.436 9.986 154 HG3 GLU 18 3HG GLU 18 -1.614 -2.729 10.410 155 H LEU 19 H LEU 19 -2.196 -3.661 5.897 156 HA LEU 19 HA LEU 19 -4.157 -2.092 4.585 157 HB2 LEU 19 2HB LEU 19 -1.387 -3.021 3.790 158 HB3 LEU 19 3HB LEU 19 -2.422 -2.232 2.611 159 HG LEU 19 HG LEU 19 -0.985 -0.545 3.510 160 HD11 LEU 19 1HD1 LEU 19 -3.723 -0.186 4.767 161 HD12 LEU 19 2HD1 LEU 19 -3.276 0.184 3.099 162 HD13 LEU 19 3HD1 LEU 19 -2.549 1.083 4.418 163 HD21 LEU 19 3HD2 LEU 19 -1.837 -1.347 6.317 164 HD22 LEU 19 1HD2 LEU 19 -0.786 0.010 5.895 165 HD23 LEU 19 2HD2 LEU 19 -0.261 -1.641 5.578 166 H ILE 20 H ILE 20 -3.024 -5.421 4.007 167 HA ILE 20 HA ILE 20 -4.212 -5.994 1.566 168 HB ILE 20 HB ILE 20 -3.855 -7.832 3.986 169 HG12 ILE 20 2HG1 ILE 20 -1.731 -6.933 3.025 170 HG13 ILE 20 3HG1 ILE 20 -1.844 -8.677 2.870 171 HG21 ILE 20 1HG2 ILE 20 -4.572 -8.659 1.143 172 HG22 ILE 20 2HG2 ILE 20 -5.586 -8.827 2.578 173 HG23 ILE 20 3HG2 ILE 20 -4.099 -9.766 2.436 174 HD11 ILE 20 3HD1 ILE 20 -0.873 -7.679 0.905 175 HD12 ILE 20 1HD1 ILE 20 -2.293 -6.663 0.671 176 HD13 ILE 20 2HD1 ILE 20 -2.421 -8.417 0.501 177 H GLU 21 H GLU 21 -5.557 -6.413 4.838 178 HA GLU 21 HA GLU 21 -8.118 -7.321 3.996 179 HB2 GLU 21 2HB GLU 21 -7.146 -6.313 6.697 180 HB3 GLU 21 3HB GLU 21 -8.692 -7.113 6.427 181 HG2 GLU 21 2HG GLU 21 -7.500 -9.146 5.645 182 HG3 GLU 21 3HG GLU 21 -5.960 -8.345 5.944 183 H ARG 22 H ARG 22 -6.823 -4.108 4.738 184 HA ARG 22 HA ARG 22 -9.350 -2.764 4.752 185 HB2 ARG 22 2HB ARG 22 -6.545 -1.693 4.252 186 HB3 ARG 22 3HB ARG 22 -7.969 -0.663 4.310 187 HG2 ARG 22 2HG ARG 22 -6.894 -2.349 6.585 188 HG3 ARG 22 3HG ARG 22 -6.728 -0.605 6.419 189 HD2 ARG 22 2HD ARG 22 -8.469 -0.953 8.001 190 HD3 ARG 22 3HD ARG 22 -9.279 -0.478 6.507 191 HE ARG 22 HE ARG 22 -9.020 -3.342 7.173 192 HH11 ARG 22 1HH1 ARG 22 -11.175 -0.550 6.835 193 HH12 ARG 22 2HH1 ARG 22 -12.609 -1.523 6.846 194 HH21 ARG 22 1HH2 ARG 22 -10.927 -4.572 7.111 195 HH22 ARG 22 2HH2 ARG 22 -12.468 -3.778 6.999 196 H LEU 23 H LEU 23 -6.965 -3.389 2.175 197 HA LEU 23 HA LEU 23 -8.206 -1.736 0.200 198 HB2 LEU 23 2HB LEU 23 -6.122 -3.930 -0.157 199 HB3 LEU 23 3HB LEU 23 -6.564 -2.751 -1.379 200 HG LEU 23 HG LEU 23 -5.184 -2.139 1.258 201 HD11 LEU 23 1HD1 LEU 23 -3.219 -1.574 -0.074 202 HD12 LEU 23 2HD1 LEU 23 -4.062 -2.059 -1.548 203 HD13 LEU 23 3HD1 LEU 23 -3.695 -3.256 -0.304 204 HD21 LEU 23 3HD2 LEU 23 -5.899 -0.203 -0.956 205 HD22 LEU 23 1HD2 LEU 23 -4.927 0.164 0.471 206 HD23 LEU 23 2HD2 LEU 23 -6.624 -0.270 0.651 207 H GLU 24 H GLU 24 -8.589 -5.082 1.133 208 HA GLU 24 HA GLU 24 -10.181 -5.996 -1.060 209 HB2 GLU 24 2HB GLU 24 -10.168 -6.900 1.861 210 HB3 GLU 24 3HB GLU 24 -10.962 -7.762 0.547 211 HG2 GLU 24 2HG GLU 24 -8.788 -8.165 -0.528 212 HG3 GLU 24 3HG GLU 24 -7.978 -7.273 0.752 213 H GLU 25 H GLU 25 -10.889 -4.402 2.013 214 HA GLU 25 HA GLU 25 -13.764 -4.481 1.710 215 HB2 GLU 25 2HB GLU 25 -11.947 -3.195 3.793 216 HB3 GLU 25 3HB GLU 25 -13.704 -3.143 3.872 217 HG2 GLU 25 2HG GLU 25 -12.003 -5.647 3.958 218 HG3 GLU 25 3HG GLU 25 -12.788 -4.875 5.336 219 H GLU 26 H GLU 26 -11.258 -2.243 0.802 220 HA GLU 26 HA GLU 26 -12.861 0.133 0.662 221 HB2 GLU 26 2HB GLU 26 -10.326 -0.586 -0.874 222 HB3 GLU 26 3HB GLU 26 -11.077 1.001 -0.879 223 HG2 GLU 26 2HG GLU 26 -9.747 -0.382 1.458 224 HG3 GLU 26 3HG GLU 26 -9.158 1.024 0.581 225 H ARG 27 H ARG 27 -14.719 -0.007 -0.461 226 HA ARG 27 HA ARG 27 -15.098 -1.788 -2.663 227 HB2 ARG 27 2HB ARG 27 -16.945 0.326 -1.486 228 HB3 ARG 27 3HB ARG 27 -17.432 -0.867 -2.685 229 HG2 ARG 27 2HG ARG 27 -16.474 -1.454 0.137 230 HG3 ARG 27 3HG ARG 27 -18.134 -1.573 -0.450 231 HD2 ARG 27 2HD ARG 27 -17.545 -3.423 -1.915 232 HD3 ARG 27 3HD ARG 27 -15.829 -3.228 -1.546 233 HE ARG 27 HE ARG 27 -17.645 -3.861 0.664 234 HH11 ARG 27 1HH1 ARG 27 -15.184 -5.029 -1.578 235 HH12 ARG 27 2HH1 ARG 27 -14.834 -6.448 -0.649 236 HH21 ARG 27 1HH2 ARG 27 -17.146 -5.748 1.882 237 HH22 ARG 27 2HH2 ARG 27 -15.941 -6.851 1.301 238 HA PRO 28 HA PRO 28 -16.179 -2.172 -4.701 239 HB2 PRO 28 2HB PRO 28 -15.128 -2.724 -7.172 240 HB3 PRO 28 3HB PRO 28 -16.534 -1.664 -6.948 241 HG2 PRO 28 2HG PRO 28 -13.665 -0.898 -7.356 242 HG3 PRO 28 3HG PRO 28 -15.121 -0.223 -8.119 243 HD2 PRO 28 2HD PRO 28 -13.887 1.005 -6.020 244 HD3 PRO 28 3HD PRO 28 -15.645 1.100 -6.275 245 H SER 29 H SER 29 -12.786 -1.551 -5.686 246 HA SER 29 HA SER 29 -11.585 -3.107 -3.668 247 HB2 SER 29 2HB SER 29 -12.376 -5.031 -5.093 248 HB3 SER 29 3HB SER 29 -11.468 -4.379 -6.452 249 HG SER 29 HG SER 29 -9.563 -4.587 -5.003 250 H VAL 30 H VAL 30 -9.405 -2.578 -3.561 251 HA VAL 30 HA VAL 30 -8.373 -0.581 -5.428 252 HB VAL 30 HB VAL 30 -7.150 -1.758 -2.876 253 HG11 VAL 30 1HG1 VAL 30 -5.369 -0.944 -4.375 254 HG12 VAL 30 2HG1 VAL 30 -5.516 0.093 -2.956 255 HG13 VAL 30 3HG1 VAL 30 -6.175 0.621 -4.505 256 HG21 VAL 30 3HG2 VAL 30 -7.744 0.398 -1.827 257 HG22 VAL 30 1HG2 VAL 30 -9.174 -0.443 -2.428 258 HG23 VAL 30 2HG2 VAL 30 -8.511 0.923 -3.327 259 H GLN 31 H GLN 31 -6.696 -0.938 -6.845 260 HA GLN 31 HA GLN 31 -5.888 -3.602 -7.588 261 HB2 GLN 31 2HB GLN 31 -4.593 -0.953 -8.374 262 HB3 GLN 31 3HB GLN 31 -4.436 -2.487 -9.222 263 HG2 GLN 31 2HG GLN 31 -6.820 -2.362 -9.857 264 HG3 GLN 31 3HG GLN 31 -6.961 -0.819 -9.012 265 HE21 GLN 31 1HE2 GLN 31 -5.721 0.990 -9.841 266 HE22 GLN 31 2HE2 GLN 31 -5.293 1.054 -11.515 267 H TYR 32 H TYR 32 -4.404 -4.741 -6.370 268 HA TYR 32 HA TYR 32 -1.917 -3.468 -5.582 269 HB2 TYR 32 2HB TYR 32 -2.021 -3.935 -3.220 270 HB3 TYR 32 3HB TYR 32 -3.469 -3.035 -3.636 271 HD1 TYR 32 HD1 TYR 32 -5.709 -4.234 -3.685 272 HD2 TYR 32 HD2 TYR 32 -2.163 -6.172 -2.287 273 HE1 TYR 32 HE1 TYR 32 -7.079 -5.955 -2.580 274 HE2 TYR 32 HE2 TYR 32 -3.535 -7.887 -1.193 275 HH TYR 32 HH TYR 32 -6.872 -8.234 -1.775 276 H THR 33 H THR 33 -0.242 -4.932 -5.116 277 HA THR 33 HA THR 33 -0.738 -7.820 -5.192 278 HB THR 33 HB THR 33 1.276 -6.463 -7.067 279 HG1 THR 33 HG1 THR 33 -1.328 -7.433 -7.451 280 HG21 THR 33 3HG2 THR 33 2.097 -8.661 -6.284 281 HG22 THR 33 1HG2 THR 33 1.646 -8.732 -7.989 282 HG23 THR 33 2HG2 THR 33 0.574 -9.411 -6.766 283 H GLU 34 H GLU 34 0.130 -8.375 -3.280 284 HA GLU 34 HA GLU 34 2.533 -7.108 -2.183 285 HB2 GLU 34 2HB GLU 34 0.590 -7.611 -0.721 286 HB3 GLU 34 3HB GLU 34 0.727 -9.321 -1.112 287 HG2 GLU 34 2HG GLU 34 3.125 -9.151 -0.104 288 HG3 GLU 34 3HG GLU 34 2.574 -7.618 0.576 289 H THR 35 H THR 35 4.538 -8.022 -2.341 290 HA THR 35 HA THR 35 4.876 -10.831 -3.200 291 HB THR 35 HB THR 35 6.287 -8.420 -4.464 292 HG1 THR 35 HG1 THR 35 4.151 -10.068 -5.309 293 HG21 THR 35 3HG2 THR 35 7.772 -10.393 -4.383 294 HG22 THR 35 1HG2 THR 35 7.263 -10.055 -6.040 295 HG23 THR 35 2HG2 THR 35 6.516 -11.375 -5.140 296 H THR 36 H THR 36 6.152 -11.768 -1.619 297 HA THR 36 HA THR 36 8.022 -10.225 -0.043 298 HB THR 36 HB THR 36 7.787 -13.271 -0.178 299 HG1 THR 36 HG1 THR 36 6.089 -13.110 1.073 300 HG21 THR 36 3HG2 THR 36 8.751 -13.189 2.108 301 HG22 THR 36 1HG2 THR 36 8.894 -11.434 1.986 302 HG23 THR 36 2HG2 THR 36 9.854 -12.473 0.931 303 H ARG 37 H ARG 37 9.818 -9.498 -0.993 304 HA ARG 37 HA ARG 37 11.495 -11.285 -2.655 305 HB2 ARG 37 2HB ARG 37 10.290 -9.417 -3.951 306 HB3 ARG 37 3HB ARG 37 11.221 -8.260 -3.014 307 HG2 ARG 37 2HG ARG 37 12.469 -8.375 -4.967 308 HG3 ARG 37 3HG ARG 37 13.309 -9.556 -3.970 309 HD2 ARG 37 2HD ARG 37 11.275 -10.141 -6.147 310 HD3 ARG 37 3HD ARG 37 13.017 -10.383 -6.247 311 HE ARG 37 HE ARG 37 12.825 -12.175 -4.641 312 HH11 ARG 37 1HH1 ARG 37 9.782 -11.121 -6.070 313 HH12 ARG 37 2HH1 ARG 37 8.956 -12.607 -5.722 314 HH21 ARG 37 1HH2 ARG 37 11.724 -14.128 -4.172 315 HH22 ARG 37 2HH2 ARG 37 10.063 -14.314 -4.642 316 H ASN 38 H ASN 38 13.442 -11.601 -1.769 317 HA ASN 38 HA ASN 38 15.349 -11.481 -0.563 318 HB2 ASN 38 2HB ASN 38 14.778 -8.494 -0.338 319 HB3 ASN 38 3HB ASN 38 16.287 -9.263 0.134 320 HD21 ASN 38 1HD2 ASN 38 14.325 -8.220 -2.529 321 HD22 ASN 38 2HD2 ASN 38 15.522 -8.446 -3.754 322 H GLY 39 H GLY 39 12.635 -11.819 0.690 323 HA2 GLY 39 2HA GLY 39 12.134 -12.666 2.810 324 HA3 GLY 39 3HA GLY 39 13.497 -11.798 3.501 325 H ARG 40 H ARG 40 12.611 -9.245 2.131 326 HA ARG 40 HA ARG 40 10.571 -8.337 4.001 327 HB2 ARG 40 2HB ARG 40 11.793 -6.911 1.586 328 HB3 ARG 40 3HB ARG 40 10.737 -6.168 2.781 329 HG2 ARG 40 2HG ARG 40 12.494 -6.540 4.507 330 HG3 ARG 40 3HG ARG 40 13.552 -7.185 3.247 331 HD2 ARG 40 2HD ARG 40 13.381 -5.029 2.025 332 HD3 ARG 40 3HD ARG 40 12.368 -4.386 3.321 333 HE ARG 40 HE ARG 40 14.831 -5.288 4.392 334 HH11 ARG 40 1HH1 ARG 40 13.528 -2.699 2.390 335 HH12 ARG 40 2HH1 ARG 40 14.763 -1.565 2.826 336 HH21 ARG 40 1HH2 ARG 40 16.488 -3.785 4.924 337 HH22 ARG 40 2HH2 ARG 40 16.440 -2.183 4.260 338 H ARG 41 H ARG 41 8.374 -7.879 3.395 339 HA ARG 41 HA ARG 41 7.470 -8.702 0.735 340 HB2 ARG 41 2HB ARG 41 5.916 -7.459 3.050 341 HB3 ARG 41 3HB ARG 41 5.204 -8.030 1.549 342 HG2 ARG 41 2HG ARG 41 5.901 -10.339 2.107 343 HG3 ARG 41 3HG ARG 41 6.593 -9.751 3.622 344 HD2 ARG 41 2HD ARG 41 4.395 -9.049 4.412 345 HD3 ARG 41 3HD ARG 41 3.665 -9.461 2.859 346 HE ARG 41 HE ARG 41 4.961 -11.691 4.127 347 HH11 ARG 41 1HH1 ARG 41 1.929 -9.871 4.008 348 HH12 ARG 41 2HH1 ARG 41 0.983 -11.193 4.612 349 HH21 ARG 41 1HH2 ARG 41 3.707 -13.379 4.986 350 HH22 ARG 41 2HH2 ARG 41 1.991 -13.177 5.166 351 H GLN 42 H GLN 42 6.558 -7.261 -0.757 352 HA GLN 42 HA GLN 42 6.700 -4.367 -0.268 353 HB2 GLN 42 2HB GLN 42 7.301 -4.039 -2.695 354 HB3 GLN 42 3HB GLN 42 8.571 -4.812 -1.760 355 HG2 GLN 42 2HG GLN 42 7.994 -6.991 -2.732 356 HG3 GLN 42 3HG GLN 42 6.657 -6.264 -3.615 357 HE21 GLN 42 1HE2 GLN 42 7.110 -4.975 -5.427 358 HE22 GLN 42 2HE2 GLN 42 8.642 -5.020 -6.223 359 H LEU 43 H LEU 43 4.642 -3.670 -0.253 360 HA LEU 43 HA LEU 43 2.589 -5.168 -1.763 361 HB2 LEU 43 2HB LEU 43 2.509 -4.466 0.816 362 HB3 LEU 43 3HB LEU 43 1.927 -2.947 0.183 363 HG LEU 43 HG LEU 43 0.594 -5.656 -0.222 364 HD11 LEU 43 1HD1 LEU 43 -0.230 -3.372 1.595 365 HD12 LEU 43 2HD1 LEU 43 0.431 -4.927 2.103 366 HD13 LEU 43 3HD1 LEU 43 -1.145 -4.858 1.319 367 HD21 LEU 43 3HD2 LEU 43 -1.321 -4.406 -1.130 368 HD22 LEU 43 1HD2 LEU 43 0.127 -4.186 -2.112 369 HD23 LEU 43 2HD2 LEU 43 -0.398 -2.905 -1.018 370 H THR 44 H THR 44 2.349 -4.427 -3.721 371 HA THR 44 HA THR 44 3.075 -1.697 -4.493 372 HB THR 44 HB THR 44 2.510 -4.220 -6.133 373 HG1 THR 44 HG1 THR 44 4.529 -3.806 -4.665 374 HG21 THR 44 3HG2 THR 44 3.674 -1.560 -7.050 375 HG22 THR 44 1HG2 THR 44 2.086 -2.192 -7.495 376 HG23 THR 44 2HG2 THR 44 3.550 -3.019 -8.032 377 H ILE 45 H ILE 45 1.380 -0.348 -4.207 378 HA ILE 45 HA ILE 45 -1.398 -1.160 -4.814 379 HB ILE 45 HB ILE 45 -0.342 1.340 -3.390 380 HG12 ILE 45 2HG1 ILE 45 -1.636 -1.150 -2.178 381 HG13 ILE 45 3HG1 ILE 45 0.076 -0.756 -2.094 382 HG21 ILE 45 1HG2 ILE 45 -2.514 1.735 -4.496 383 HG22 ILE 45 2HG2 ILE 45 -2.683 1.758 -2.742 384 HG23 ILE 45 3HG2 ILE 45 -3.203 0.343 -3.655 385 HD11 ILE 45 3HD1 ILE 45 -0.460 1.251 -0.790 386 HD12 ILE 45 1HD1 ILE 45 -1.007 -0.238 -0.021 387 HD13 ILE 45 2HD1 ILE 45 -2.170 0.806 -0.833 388 H ARG 46 H ARG 46 -2.354 -0.367 -6.643 389 HA ARG 46 HA ARG 46 -1.059 1.855 -8.127 390 HB2 ARG 46 2HB ARG 46 -2.595 -0.512 -9.291 391 HB3 ARG 46 3HB ARG 46 -1.841 0.787 -10.211 392 HG2 ARG 46 2HG ARG 46 0.392 0.044 -9.432 393 HG3 ARG 46 3HG ARG 46 -0.369 -1.254 -8.509 394 HD2 ARG 46 2HD ARG 46 -1.334 -2.117 -10.679 395 HD3 ARG 46 3HD ARG 46 -0.345 -0.920 -11.524 396 HE ARG 46 HE ARG 46 1.465 -2.273 -10.012 397 HH11 ARG 46 1HH1 ARG 46 -0.977 -3.301 -12.337 398 HH12 ARG 46 2HH1 ARG 46 -0.089 -4.709 -12.829 399 HH21 ARG 46 1HH2 ARG 46 2.599 -4.156 -10.650 400 HH22 ARG 46 2HH2 ARG 46 1.935 -5.191 -11.875 401 H SER 47 H SER 47 -2.313 3.545 -8.503 402 HA SER 47 HA SER 47 -5.208 3.401 -8.697 403 HB2 SER 47 2HB SER 47 -5.319 5.361 -6.950 404 HB3 SER 47 3HB SER 47 -5.148 3.719 -6.333 405 HG SER 47 HG SER 47 -2.788 5.086 -6.879 406 H ASN 48 H ASN 48 -5.848 4.770 -10.257 407 HA ASN 48 HA ASN 48 -3.775 6.423 -11.572 408 HB2 ASN 48 2HB ASN 48 -6.362 5.249 -12.687 409 HB3 ASN 48 3HB ASN 48 -5.149 6.122 -13.622 410 HD21 ASN 48 1HD2 ASN 48 -6.217 3.268 -13.650 411 HD22 ASN 48 2HD2 ASN 48 -4.794 2.288 -13.684 412 H ASP 49 H ASP 49 -6.268 6.891 -9.514 413 HA ASP 49 HA ASP 49 -7.051 9.550 -10.562 414 HB2 ASP 49 2HB ASP 49 -8.879 7.973 -9.933 415 HB3 ASP 49 3HB ASP 49 -8.230 7.852 -8.305 416 H LYS 50 H LYS 50 -6.385 11.407 -9.449 417 HA LYS 50 HA LYS 50 -4.100 11.168 -7.751 418 HB2 LYS 50 2HB LYS 50 -5.689 13.626 -8.590 419 HB3 LYS 50 3HB LYS 50 -4.234 13.711 -7.606 420 HG2 LYS 50 2HG LYS 50 -4.442 12.742 -10.469 421 HG3 LYS 50 3HG LYS 50 -3.658 14.211 -9.895 422 HD2 LYS 50 2HD LYS 50 -2.763 11.362 -9.330 423 HD3 LYS 50 3HD LYS 50 -2.006 12.484 -10.455 424 HE2 LYS 50 2HE LYS 50 -2.141 12.833 -7.438 425 HE3 LYS 50 3HE LYS 50 -0.734 12.301 -8.351 426 HZ1 LYS 50 3HZ LYS 50 -0.586 14.625 -7.788 427 HZ2 LYS 50 1HZ LYS 50 -2.035 14.958 -8.588 428 HZ3 LYS 50 2HZ LYS 50 -0.688 14.440 -9.463 429 H ASN 51 H ASN 51 -7.497 11.894 -7.114 430 HA ASN 51 HA ASN 51 -7.165 12.697 -4.382 431 HB2 ASN 51 2HB ASN 51 -9.645 11.543 -5.747 432 HB3 ASN 51 3HB ASN 51 -9.631 12.381 -4.196 433 HD21 ASN 51 1HD2 ASN 51 -11.070 13.004 -6.691 434 HD22 ASN 51 2HD2 ASN 51 -10.624 14.624 -7.092 435 H GLU 52 H GLU 52 -7.527 9.627 -6.063 436 HA GLU 52 HA GLU 52 -8.170 8.090 -3.713 437 HB2 GLU 52 2HB GLU 52 -8.885 7.562 -6.146 438 HB3 GLU 52 3HB GLU 52 -7.256 6.924 -6.366 439 HG2 GLU 52 2HG GLU 52 -8.713 5.080 -5.856 440 HG3 GLU 52 3HG GLU 52 -7.688 5.341 -4.447 441 H VAL 53 H VAL 53 -5.241 8.410 -5.798 442 HA VAL 53 HA VAL 53 -3.615 6.590 -4.399 443 HB VAL 53 HB VAL 53 -3.009 7.442 -6.659 444 HG11 VAL 53 1HG1 VAL 53 -3.556 9.813 -6.423 445 HG12 VAL 53 2HG1 VAL 53 -1.893 9.614 -6.977 446 HG13 VAL 53 3HG1 VAL 53 -2.222 10.029 -5.292 447 HG21 VAL 53 3HG2 VAL 53 -0.823 7.880 -4.589 448 HG22 VAL 53 1HG2 VAL 53 -0.560 7.609 -6.316 449 HG23 VAL 53 2HG2 VAL 53 -1.271 6.339 -5.321 450 H ASP 54 H ASP 54 -4.299 9.987 -3.853 451 HA ASP 54 HA ASP 54 -2.433 10.420 -1.732 452 HB2 ASP 54 2HB ASP 54 -3.378 12.232 -3.144 453 HB3 ASP 54 3HB ASP 54 -4.980 11.917 -2.491 454 H ARG 55 H ARG 55 -5.792 9.326 -1.922 455 HA ARG 55 HA ARG 55 -6.480 9.549 0.836 456 HB2 ARG 55 2HB ARG 55 -8.063 9.346 -1.210 457 HB3 ARG 55 3HB ARG 55 -7.764 7.617 -1.141 458 HG2 ARG 55 2HG ARG 55 -9.852 8.085 -0.025 459 HG3 ARG 55 3HG ARG 55 -8.676 7.615 1.208 460 HD2 ARG 55 2HD ARG 55 -8.365 9.911 1.888 461 HD3 ARG 55 3HD ARG 55 -9.303 10.514 0.521 462 HE ARG 55 HE ARG 55 -10.291 9.505 3.040 463 HH11 ARG 55 1HH1 ARG 55 -11.167 10.055 -0.329 464 HH12 ARG 55 2HH1 ARG 55 -12.868 10.129 0.002 465 HH21 ARG 55 1HH2 ARG 55 -12.520 9.683 3.462 466 HH22 ARG 55 2HH2 ARG 55 -13.631 9.918 2.150 467 H ILE 56 H ILE 56 -5.069 6.993 -1.126 468 HA ILE 56 HA ILE 56 -5.137 4.983 0.970 469 HB ILE 56 HB ILE 56 -3.706 4.925 -1.735 470 HG12 ILE 56 2HG1 ILE 56 -6.390 3.642 -1.025 471 HG13 ILE 56 3HG1 ILE 56 -6.239 5.172 -1.877 472 HG21 ILE 56 1HG2 ILE 56 -4.321 2.670 0.212 473 HG22 ILE 56 2HG2 ILE 56 -2.723 3.301 -0.198 474 HG23 ILE 56 3HG2 ILE 56 -3.675 2.452 -1.414 475 HD11 ILE 56 3HD1 ILE 56 -6.696 3.359 -3.408 476 HD12 ILE 56 1HD1 ILE 56 -5.249 2.501 -2.870 477 HD13 ILE 56 2HD1 ILE 56 -5.101 4.044 -3.717 478 H LEU 57 H LEU 57 -2.815 7.258 -0.468 479 HA LEU 57 HA LEU 57 -0.429 6.286 0.677 480 HB2 LEU 57 2HB LEU 57 -0.511 7.902 -1.207 481 HB3 LEU 57 3HB LEU 57 -1.104 9.139 -0.112 482 HG LEU 57 HG LEU 57 1.075 8.948 1.175 483 HD11 LEU 57 1HD1 LEU 57 3.014 7.900 0.102 484 HD12 LEU 57 2HD1 LEU 57 1.959 7.213 -1.137 485 HD13 LEU 57 3HD1 LEU 57 1.778 6.728 0.553 486 HD21 LEU 57 3HD2 LEU 57 1.310 9.763 -1.729 487 HD22 LEU 57 1HD2 LEU 57 2.401 10.245 -0.426 488 HD23 LEU 57 2HD2 LEU 57 0.717 10.764 -0.400 489 H GLU 58 H GLU 58 -2.756 8.712 1.869 490 HA GLU 58 HA GLU 58 -1.341 9.326 4.262 491 HB2 GLU 58 2HB GLU 58 -3.477 10.294 5.063 492 HB3 GLU 58 3HB GLU 58 -3.070 10.847 3.444 493 HG2 GLU 58 2HG GLU 58 -4.721 9.347 2.467 494 HG3 GLU 58 3HG GLU 58 -5.074 8.644 4.040 495 H GLU 59 H GLU 59 -3.820 6.939 3.393 496 HA GLU 59 HA GLU 59 -4.532 6.197 6.038 497 HB2 GLU 59 2HB GLU 59 -6.059 5.972 4.092 498 HB3 GLU 59 3HB GLU 59 -5.023 4.718 3.415 499 HG2 GLU 59 2HG GLU 59 -6.949 3.680 4.448 500 HG3 GLU 59 3HG GLU 59 -5.524 3.280 5.403 501 H VAL 60 H VAL 60 -2.228 4.789 3.719 502 HA VAL 60 HA VAL 60 -1.678 2.418 5.168 503 HB VAL 60 HB VAL 60 -0.990 2.466 2.857 504 HG11 VAL 60 1HG1 VAL 60 -0.584 4.865 2.574 505 HG12 VAL 60 2HG1 VAL 60 0.760 3.910 1.944 506 HG13 VAL 60 3HG1 VAL 60 0.913 4.733 3.500 507 HG21 VAL 60 3HG2 VAL 60 1.357 1.715 2.974 508 HG22 VAL 60 1HG2 VAL 60 0.418 1.075 4.323 509 HG23 VAL 60 2HG2 VAL 60 1.518 2.430 4.578 510 H ARG 61 H ARG 61 -0.364 5.664 5.338 511 HA ARG 61 HA ARG 61 1.686 5.117 7.279 512 HB2 ARG 61 2HB ARG 61 0.397 7.682 6.265 513 HB3 ARG 61 3HB ARG 61 1.744 7.663 7.395 514 HG2 ARG 61 2HG ARG 61 3.260 6.810 5.789 515 HG3 ARG 61 3HG ARG 61 1.964 6.271 4.717 516 HD2 ARG 61 2HD ARG 61 3.164 8.286 3.879 517 HD3 ARG 61 3HD ARG 61 1.435 8.552 4.109 518 HE ARG 61 HE ARG 61 3.318 9.383 6.220 519 HH11 ARG 61 1HH1 ARG 61 1.062 10.328 3.683 520 HH12 ARG 61 2HH1 ARG 61 0.958 11.975 4.212 521 HH21 ARG 61 1HH2 ARG 61 3.118 11.522 6.954 522 HH22 ARG 61 2HH2 ARG 61 2.133 12.657 6.083 523 H ARG 62 H ARG 62 -1.706 6.183 7.397 524 HA ARG 62 HA ARG 62 -1.775 6.995 10.137 525 HB2 ARG 62 2HB ARG 62 -4.049 6.155 8.276 526 HB3 ARG 62 3HB ARG 62 -4.294 6.837 9.880 527 HG2 ARG 62 2HG ARG 62 -2.991 8.240 7.535 528 HG3 ARG 62 3HG ARG 62 -4.626 8.511 8.116 529 HD2 ARG 62 2HD ARG 62 -2.131 9.041 9.764 530 HD3 ARG 62 3HD ARG 62 -2.969 10.259 8.801 531 HE ARG 62 HE ARG 62 -4.434 8.817 10.917 532 HH11 ARG 62 1HH1 ARG 62 -3.129 11.886 9.720 533 HH12 ARG 62 2HH1 ARG 62 -4.009 12.834 10.883 534 HH21 ARG 62 1HH2 ARG 62 -5.552 10.103 12.437 535 HH22 ARG 62 2HH2 ARG 62 -5.369 11.829 12.408 536 H LYS 63 H LYS 63 -2.572 3.967 8.454 537 HA LYS 63 HA LYS 63 -3.341 2.562 10.867 538 HB2 LYS 63 2HB LYS 63 -2.791 1.561 8.039 539 HB3 LYS 63 3HB LYS 63 -3.328 0.521 9.346 540 HG2 LYS 63 2HG LYS 63 -4.929 2.864 8.274 541 HG3 LYS 63 3HG LYS 63 -5.115 1.201 7.732 542 HD2 LYS 63 2HD LYS 63 -6.868 1.437 9.272 543 HD3 LYS 63 3HD LYS 63 -5.621 0.658 10.240 544 HE2 LYS 63 2HE LYS 63 -6.756 2.458 11.483 545 HE3 LYS 63 3HE LYS 63 -5.054 2.831 11.258 546 HZ1 LYS 63 3HZ LYS 63 -6.383 4.771 10.851 547 HZ2 LYS 63 1HZ LYS 63 -7.321 3.950 9.713 548 HZ3 LYS 63 2HZ LYS 63 -5.698 4.269 9.389 549 H VAL 64 H VAL 64 -0.474 2.786 8.806 550 HA VAL 64 HA VAL 64 1.112 1.291 10.797 551 HB VAL 64 HB VAL 64 1.144 0.737 7.793 552 HG11 VAL 64 1HG1 VAL 64 3.425 0.692 8.753 553 HG12 VAL 64 2HG1 VAL 64 2.892 -0.911 8.251 554 HG13 VAL 64 3HG1 VAL 64 2.889 -0.480 9.963 555 HG21 VAL 64 3HG2 VAL 64 0.445 -1.550 8.388 556 HG22 VAL 64 1HG2 VAL 64 -0.739 -0.371 8.953 557 HG23 VAL 64 2HG2 VAL 64 0.388 -1.106 10.095 558 HA PRO 65 HA PRO 65 3.950 4.729 9.696 559 HB2 PRO 65 2HB PRO 65 4.713 5.342 12.217 560 HB3 PRO 65 3HB PRO 65 3.168 5.931 11.568 561 HG2 PRO 65 2HG PRO 65 3.667 3.625 13.420 562 HG3 PRO 65 3HG PRO 65 2.393 4.862 13.486 563 HD2 PRO 65 2HD PRO 65 2.035 2.319 12.421 564 HD3 PRO 65 3HD PRO 65 1.045 3.732 11.993 565 H ASN 66 H ASN 66 3.994 1.595 10.835 566 HA ASN 66 HA ASN 66 6.857 1.353 11.449 567 HB2 ASN 66 2HB ASN 66 4.595 -0.706 11.551 568 HB3 ASN 66 3HB ASN 66 6.233 -0.947 12.153 569 HD21 ASN 66 1HD2 ASN 66 3.549 -1.001 13.486 570 HD22 ASN 66 2HD2 ASN 66 3.708 0.080 14.829 571 H ALA 67 H ALA 67 5.828 1.917 8.697 572 HA ALA 67 HA ALA 67 7.246 -0.224 7.269 573 HB1 ALA 67 3HB ALA 67 4.866 -0.821 7.055 574 HB2 ALA 67 1HB ALA 67 5.514 -0.301 5.499 575 HB3 ALA 67 2HB ALA 67 4.490 0.790 6.442 576 H ARG 68 H ARG 68 8.576 0.608 5.750 577 HA ARG 68 HA ARG 68 8.723 3.371 5.100 578 HB2 ARG 68 2HB ARG 68 10.717 1.955 4.920 579 HB3 ARG 68 3HB ARG 68 9.932 0.929 3.728 580 HG2 ARG 68 2HG ARG 68 11.577 2.402 2.676 581 HG3 ARG 68 3HG ARG 68 9.956 2.773 2.096 582 HD2 ARG 68 2HD ARG 68 11.283 4.353 4.320 583 HD3 ARG 68 3HD ARG 68 11.510 4.750 2.621 584 HE ARG 68 HE ARG 68 8.996 4.994 2.543 585 HH11 ARG 68 1HH1 ARG 68 10.784 5.717 5.505 586 HH12 ARG 68 2HH1 ARG 68 9.591 6.843 6.078 587 HH21 ARG 68 1HH2 ARG 68 7.452 6.460 3.341 588 HH22 ARG 68 2HH2 ARG 68 7.720 7.259 4.859 589 H VAL 69 H VAL 69 6.985 4.241 4.215 590 HA VAL 69 HA VAL 69 5.451 2.964 2.076 591 HB VAL 69 HB VAL 69 5.038 5.627 3.532 592 HG11 VAL 69 1HG1 VAL 69 3.178 4.174 1.623 593 HG12 VAL 69 2HG1 VAL 69 4.041 5.676 1.288 594 HG13 VAL 69 3HG1 VAL 69 2.789 5.638 2.529 595 HG21 VAL 69 3HG2 VAL 69 3.205 4.463 4.730 596 HG22 VAL 69 1HG2 VAL 69 4.767 3.704 5.047 597 HG23 VAL 69 2HG2 VAL 69 3.631 2.954 3.921 598 H ARG 70 H ARG 70 5.767 3.496 -0.025 599 HA ARG 70 HA ARG 70 7.743 5.588 -0.671 600 HB2 ARG 70 2HB ARG 70 8.641 3.270 -0.926 601 HB3 ARG 70 3HB ARG 70 7.350 2.902 -2.065 602 HG2 ARG 70 2HG ARG 70 9.496 3.395 -3.206 603 HG3 ARG 70 3HG ARG 70 8.228 4.537 -3.659 604 HD2 ARG 70 2HD ARG 70 9.182 6.140 -1.944 605 HD3 ARG 70 3HD ARG 70 10.526 5.019 -1.727 606 HE ARG 70 HE ARG 70 10.642 5.435 -4.353 607 HH11 ARG 70 1HH1 ARG 70 10.281 7.793 -1.743 608 HH12 ARG 70 2HH1 ARG 70 11.092 9.053 -2.618 609 HH21 ARG 70 1HH2 ARG 70 11.712 7.101 -5.461 610 HH22 ARG 70 2HH2 ARG 70 11.901 8.660 -4.725 611 H GLU 71 H GLU 71 6.490 7.197 -1.322 612 HA GLU 71 HA GLU 71 4.257 7.011 -3.140 613 HB2 GLU 71 2HB GLU 71 4.479 8.829 -1.438 614 HB3 GLU 71 3HB GLU 71 5.969 9.371 -2.197 615 HG2 GLU 71 2HG GLU 71 4.540 9.800 -4.304 616 HG3 GLU 71 3HG GLU 71 3.138 9.614 -3.249 617 H THR 72 H THR 72 4.725 6.357 -5.192 618 HA THR 72 HA THR 72 6.958 7.613 -6.665 619 HB THR 72 HB THR 72 7.091 5.199 -7.854 620 HG1 THR 72 HG1 THR 72 5.473 4.647 -5.866 621 HG21 THR 72 3HG2 THR 72 8.984 4.583 -6.400 622 HG22 THR 72 1HG2 THR 72 8.464 5.776 -5.208 623 HG23 THR 72 2HG2 THR 72 9.020 6.301 -6.798 624 H GLU 73 H GLU 73 5.876 8.820 -8.073 625 HA GLU 73 HA GLU 73 3.794 7.776 -9.813 626 HB2 GLU 73 2HB GLU 73 5.567 10.242 -10.219 627 HB3 GLU 73 3HB GLU 73 4.033 9.897 -11.013 628 HG2 GLU 73 2HG GLU 73 2.842 10.174 -8.871 629 HG3 GLU 73 3HG GLU 73 4.371 10.466 -8.048 630 H THR 74 H THR 74 4.516 6.042 -10.991 631 HA THR 74 HA THR 74 7.093 5.292 -11.587 632 HB THR 74 HB THR 74 4.686 4.711 -13.338 633 HG1 THR 74 HG1 THR 74 4.122 4.121 -11.271 634 HG21 THR 74 3HG2 THR 74 5.825 2.561 -13.835 635 HG22 THR 74 1HG2 THR 74 7.211 3.087 -12.878 636 HG23 THR 74 2HG2 THR 74 6.788 3.943 -14.361 637 H GLY 75 H GLY 75 8.572 6.040 -12.943 638 HA2 GLY 75 2HA GLY 75 8.076 8.396 -14.555 639 HA3 GLY 75 3HA GLY 75 9.631 7.669 -14.196 640 H SER 76 H SER 76 6.642 6.801 -15.923 641 HA SER 76 HA SER 76 8.068 5.291 -17.954 642 HB2 SER 76 2HB SER 76 5.680 4.842 -18.759 643 HB3 SER 76 3HB SER 76 6.029 4.297 -17.119 644 HG SER 76 HG SER 76 4.802 6.790 -17.728 645 H LEU 77 H LEU 77 9.121 7.505 -18.267 646 HA LEU 77 HA LEU 77 8.246 8.716 -20.697 647 HB2 LEU 77 2HB LEU 77 8.243 11.076 -19.720 648 HB3 LEU 77 3HB LEU 77 6.855 10.079 -19.340 649 HG LEU 77 HG LEU 77 7.947 9.654 -17.031 650 HD11 LEU 77 1HD1 LEU 77 9.501 11.360 -16.164 651 HD12 LEU 77 2HD1 LEU 77 9.682 12.021 -17.790 652 HD13 LEU 77 3HD1 LEU 77 10.234 10.385 -17.437 653 HD21 LEU 77 3HD2 LEU 77 7.091 11.763 -16.082 654 HD22 LEU 77 1HD2 LEU 77 6.001 11.093 -17.295 655 HD23 LEU 77 2HD2 LEU 77 7.031 12.468 -17.700 656 H GLU 78 H GLU 78 9.965 9.658 -21.748 657 HA GLU 78 HA GLU 78 12.397 10.381 -20.245 658 HB2 GLU 78 2HB GLU 78 12.399 8.962 -22.954 659 HB3 GLU 78 3HB GLU 78 13.818 9.657 -22.173 660 HG2 GLU 78 2HG GLU 78 13.553 8.040 -20.299 661 HG3 GLU 78 3HG GLU 78 12.168 7.329 -21.118 662 H HIS 79 H HIS 79 13.399 12.196 -21.025 663 HA HIS 79 HA HIS 79 13.718 14.193 -21.995 664 HB2 HIS 79 2HB HIS 79 13.599 12.602 -24.124 665 HB3 HIS 79 3HB HIS 79 12.087 13.439 -24.445 666 HD1 HIS 79 HD1 HIS 79 12.339 16.127 -24.727 667 HD2 HIS 79 HD2 HIS 79 15.843 13.904 -24.891 668 HE1 HIS 79 HE1 HIS 79 14.047 17.652 -25.759 669 HE2 HIS 79 HE2 HIS 79 16.103 16.225 -26.020 670 H HIS 80 H HIS 80 11.359 13.606 -20.366 671 HA HIS 80 HA HIS 80 9.065 15.038 -21.179 672 HB2 HIS 80 2HB HIS 80 8.968 13.404 -19.340 673 HB3 HIS 80 3HB HIS 80 10.119 14.341 -18.397 674 HD1 HIS 80 HD1 HIS 80 6.505 14.152 -19.310 675 HD2 HIS 80 HD2 HIS 80 9.009 16.623 -17.096 676 HE1 HIS 80 HE1 HIS 80 4.989 15.600 -17.923 677 HE2 HIS 80 HE2 HIS 80 6.529 16.994 -16.518 678 H HIS 81 H HIS 81 9.518 17.043 -21.987 679 HA HIS 81 HA HIS 81 11.299 18.960 -20.878 680 HB2 HIS 81 2HB HIS 81 10.527 18.972 -23.274 681 HB3 HIS 81 3HB HIS 81 8.918 19.442 -22.740 682 HD1 HIS 81 HD1 HIS 81 8.552 21.918 -22.139 683 HD2 HIS 81 HD2 HIS 81 12.493 21.017 -23.122 684 HE1 HIS 81 HE1 HIS 81 9.714 24.127 -22.395 685 HE2 HIS 81 HE2 HIS 81 12.109 23.557 -22.862 686 H HIS 82 H HIS 82 11.020 20.039 -19.031 687 HA HIS 82 HA HIS 82 8.811 19.742 -17.343 688 HB2 HIS 82 2HB HIS 82 11.090 20.218 -16.507 689 HB3 HIS 82 3HB HIS 82 11.039 21.832 -17.210 690 HD1 HIS 82 HD1 HIS 82 9.743 23.642 -15.929 691 HD2 HIS 82 HD2 HIS 82 9.519 19.896 -14.158 692 HE1 HIS 82 HE1 HIS 82 8.656 24.010 -13.706 693 HE2 HIS 82 HE2 HIS 82 8.323 21.708 -12.776 694 H HIS 83 H HIS 83 6.912 20.722 -17.278 695 HA HIS 83 HA HIS 83 6.536 23.521 -18.200 696 HB2 HIS 83 2HB HIS 83 4.304 21.506 -17.617 697 HB3 HIS 83 3HB HIS 83 4.160 23.051 -18.443 698 HD1 HIS 83 HD1 HIS 83 4.662 23.076 -20.977 699 HD2 HIS 83 HD2 HIS 83 5.243 19.364 -19.201 700 HE1 HIS 83 HE1 HIS 83 4.862 21.437 -22.869 701 HE2 HIS 83 HE2 HIS 83 5.300 19.222 -21.772 702 H HIS 84 H HIS 84 5.079 21.250 -15.877 703 HA HIS 84 HA HIS 84 5.914 22.785 -13.542 704 HB2 HIS 84 2HB HIS 84 3.006 22.092 -14.177 705 HB3 HIS 84 3HB HIS 84 3.550 22.431 -12.541 706 HD1 HIS 84 HD1 HIS 84 3.817 24.853 -11.878 707 HD2 HIS 84 HD2 HIS 84 2.984 24.383 -15.922 708 HE1 HIS 84 HE1 HIS 84 3.236 27.143 -12.718 709 HE2 HIS 84 HE2 HIS 84 2.929 26.856 -15.194 Start of MODEL 16 1 H1 MET 1 1H MET 1 -1.467 11.923 -16.218 2 H2 MET 1 2H MET 1 -0.770 11.939 -17.752 3 H3 MET 1 3H MET 1 -1.572 13.309 -17.179 4 HA MET 1 HA MET 1 0.787 13.634 -17.073 5 HB2 MET 1 2HB MET 1 -0.671 14.637 -15.308 6 HB3 MET 1 3HB MET 1 -0.452 13.204 -14.317 7 HG2 MET 1 2HG MET 1 1.944 13.706 -14.107 8 HG3 MET 1 3HG MET 1 1.737 15.132 -15.127 9 HE1 MET 1 3HE MET 1 3.127 15.316 -12.304 10 HE2 MET 1 1HE MET 1 2.327 16.705 -11.576 11 HE3 MET 1 2HE MET 1 2.808 16.759 -13.272 12 H GLY 2 H GLY 2 -0.249 10.957 -14.969 13 HA2 GLY 2 2HA GLY 2 1.626 9.069 -15.749 14 HA3 GLY 2 3HA GLY 2 2.327 9.929 -14.379 15 H GLN 3 H GLN 3 1.550 7.147 -14.516 16 HA GLN 3 HA GLN 3 -0.832 6.805 -12.872 17 HB2 GLN 3 2HB GLN 3 -0.269 5.104 -14.588 18 HB3 GLN 3 3HB GLN 3 1.288 4.818 -13.826 19 HG2 GLN 3 2HG GLN 3 0.138 3.972 -11.798 20 HG3 GLN 3 3HG GLN 3 -1.421 4.219 -12.582 21 HE21 GLN 3 1HE2 GLN 3 -0.141 1.775 -11.553 22 HE22 GLN 3 2HE2 GLN 3 -0.128 0.666 -12.880 23 H TRP 4 H TRP 4 -0.813 6.617 -10.681 24 HA TRP 4 HA TRP 4 1.679 7.048 -9.217 25 HB2 TRP 4 2HB TRP 4 -1.179 6.832 -8.203 26 HB3 TRP 4 3HB TRP 4 0.207 7.411 -7.285 27 HD1 TRP 4 HD1 TRP 4 1.011 9.912 -7.743 28 HE1 TRP 4 HE1 TRP 4 -0.038 11.897 -8.972 29 HE3 TRP 4 HE3 TRP 4 -2.728 7.452 -10.218 30 HZ2 TRP 4 HZ2 TRP 4 -2.167 12.376 -10.742 31 HZ3 TRP 4 HZ3 TRP 4 -4.238 8.759 -11.660 32 HH2 TRP 4 HH2 TRP 4 -3.957 11.171 -11.904 33 H GLN 5 H GLN 5 2.520 5.631 -7.708 34 HA GLN 5 HA GLN 5 1.405 2.917 -7.427 35 HB2 GLN 5 2HB GLN 5 2.793 2.741 -9.408 36 HB3 GLN 5 3HB GLN 5 4.106 3.627 -8.644 37 HG2 GLN 5 2HG GLN 5 4.539 1.757 -7.139 38 HG3 GLN 5 3HG GLN 5 3.166 0.872 -7.804 39 HE21 GLN 5 1HE2 GLN 5 6.384 2.092 -8.503 40 HE22 GLN 5 2HE2 GLN 5 6.691 1.057 -9.851 41 H ILE 6 H ILE 6 1.285 2.735 -5.263 42 HA ILE 6 HA ILE 6 3.256 3.968 -3.446 43 HB ILE 6 HB ILE 6 0.666 2.511 -2.686 44 HG12 ILE 6 2HG1 ILE 6 0.982 5.529 -3.041 45 HG13 ILE 6 3HG1 ILE 6 0.184 4.472 -4.197 46 HG21 ILE 6 1HG2 ILE 6 2.352 4.499 -1.093 47 HG22 ILE 6 2HG2 ILE 6 2.284 2.753 -0.830 48 HG23 ILE 6 3HG2 ILE 6 0.853 3.745 -0.540 49 HD11 ILE 6 3HD1 ILE 6 -1.434 5.616 -2.833 50 HD12 ILE 6 1HD1 ILE 6 -0.703 4.979 -1.360 51 HD13 ILE 6 2HD1 ILE 6 -1.487 3.886 -2.505 52 H LYS 7 H LYS 7 4.999 2.593 -3.105 53 HA LYS 7 HA LYS 7 4.574 -0.315 -2.770 54 HB2 LYS 7 2HB LYS 7 7.136 1.285 -3.210 55 HB3 LYS 7 3HB LYS 7 7.098 -0.448 -2.901 56 HG2 LYS 7 2HG LYS 7 5.739 -0.746 -4.988 57 HG3 LYS 7 3HG LYS 7 5.933 0.980 -5.311 58 HD2 LYS 7 2HD LYS 7 8.359 0.728 -5.481 59 HD3 LYS 7 3HD LYS 7 8.255 -0.970 -5.008 60 HE2 LYS 7 2HE LYS 7 7.129 0.238 -7.558 61 HE3 LYS 7 3HE LYS 7 8.597 -0.726 -7.433 62 HZ1 LYS 7 3HZ LYS 7 5.880 -1.711 -6.746 63 HZ2 LYS 7 1HZ LYS 7 7.299 -2.624 -6.789 64 HZ3 LYS 7 2HZ LYS 7 6.658 -1.990 -8.219 65 H ILE 8 H ILE 8 4.179 -0.888 -0.744 66 HA ILE 8 HA ILE 8 5.228 0.621 1.568 67 HB ILE 8 HB ILE 8 3.120 -1.601 1.435 68 HG12 ILE 8 2HG1 ILE 8 2.589 1.395 1.714 69 HG13 ILE 8 3HG1 ILE 8 2.489 0.530 0.185 70 HG21 ILE 8 1HG2 ILE 8 3.794 0.292 3.721 71 HG22 ILE 8 2HG2 ILE 8 4.133 -1.438 3.669 72 HG23 ILE 8 3HG2 ILE 8 2.464 -0.868 3.715 73 HD11 ILE 8 3HD1 ILE 8 0.308 0.864 1.161 74 HD12 ILE 8 1HD1 ILE 8 0.792 -0.004 2.617 75 HD13 ILE 8 2HD1 ILE 8 0.696 -0.853 1.071 76 H TYR 9 H TYR 9 7.280 -0.190 2.049 77 HA TYR 9 HA TYR 9 7.857 -3.076 1.933 78 HB2 TYR 9 2HB TYR 9 9.700 -0.703 2.511 79 HB3 TYR 9 3HB TYR 9 10.222 -2.374 2.379 80 HD1 TYR 9 HD1 TYR 9 8.829 0.502 0.442 81 HD2 TYR 9 HD2 TYR 9 10.708 -3.330 0.230 82 HE1 TYR 9 HE1 TYR 9 9.247 0.836 -1.962 83 HE2 TYR 9 HE2 TYR 9 11.118 -2.990 -2.166 84 HH TYR 9 HH TYR 9 10.847 -0.012 -3.694 85 H SER 10 H SER 10 7.206 -4.141 3.770 86 HA SER 10 HA SER 10 8.528 -3.337 6.264 87 HB2 SER 10 2HB SER 10 5.601 -4.197 6.197 88 HB3 SER 10 3HB SER 10 6.548 -3.871 7.645 89 HG SER 10 HG SER 10 6.795 -1.719 6.233 90 H GLU 11 H GLU 11 9.078 -5.103 7.601 91 HA GLU 11 HA GLU 11 9.402 -7.687 6.289 92 HB2 GLU 11 2HB GLU 11 10.217 -6.798 9.103 93 HB3 GLU 11 3HB GLU 11 10.672 -8.323 8.349 94 HG2 GLU 11 2HG GLU 11 12.560 -6.834 8.263 95 HG3 GLU 11 3HG GLU 11 11.953 -7.057 6.628 96 H ASN 12 H ASN 12 7.604 -6.265 8.913 97 HA ASN 12 HA ASN 12 6.410 -8.681 9.928 98 HB2 ASN 12 2HB ASN 12 6.850 -6.675 11.341 99 HB3 ASN 12 3HB ASN 12 5.715 -5.739 10.378 100 HD21 ASN 12 1HD2 ASN 12 4.464 -5.281 12.208 101 HD22 ASN 12 2HD2 ASN 12 3.466 -6.462 12.968 102 H GLU 13 H GLU 13 4.613 -9.644 9.218 103 HA GLU 13 HA GLU 13 3.279 -8.800 6.805 104 HB2 GLU 13 2HB GLU 13 2.708 -11.128 8.685 105 HB3 GLU 13 3HB GLU 13 1.923 -10.885 7.125 106 HG2 GLU 13 2HG GLU 13 4.035 -11.186 5.949 107 HG3 GLU 13 3HG GLU 13 4.914 -11.258 7.476 108 H ARG 14 H ARG 14 2.584 -8.572 10.241 109 HA ARG 14 HA ARG 14 -0.168 -8.212 10.359 110 HB2 ARG 14 2HB ARG 14 1.221 -8.421 12.368 111 HB3 ARG 14 3HB ARG 14 2.053 -6.924 11.994 112 HG2 ARG 14 2HG ARG 14 0.528 -6.545 13.838 113 HG3 ARG 14 3HG ARG 14 -0.051 -5.658 12.429 114 HD2 ARG 14 2HD ARG 14 -1.695 -7.502 12.007 115 HD3 ARG 14 3HD ARG 14 -1.148 -8.287 13.494 116 HE ARG 14 HE ARG 14 -2.025 -5.538 13.825 117 HH11 ARG 14 1HH1 ARG 14 -3.074 -8.899 13.867 118 HH12 ARG 14 2HH1 ARG 14 -4.477 -8.578 14.839 119 HH21 ARG 14 1HH2 ARG 14 -3.884 -5.121 15.084 120 HH22 ARG 14 2HH2 ARG 14 -4.937 -6.431 15.532 121 H GLU 15 H GLU 15 2.330 -6.049 9.276 122 HA GLU 15 HA GLU 15 0.916 -3.596 9.239 123 HB2 GLU 15 2HB GLU 15 3.192 -4.370 7.384 124 HB3 GLU 15 3HB GLU 15 2.782 -2.768 7.978 125 HG2 GLU 15 2HG GLU 15 4.000 -5.049 9.548 126 HG3 GLU 15 3HG GLU 15 4.793 -3.563 9.067 127 H PHE 16 H PHE 16 1.457 -6.146 6.854 128 HA PHE 16 HA PHE 16 -0.076 -4.905 4.750 129 HB2 PHE 16 2HB PHE 16 1.092 -7.715 5.025 130 HB3 PHE 16 3HB PHE 16 0.313 -7.094 3.565 131 HD1 PHE 16 HD2 PHE 16 3.255 -6.741 5.793 132 HD2 PHE 16 HD1 PHE 16 1.436 -5.498 2.129 133 HE1 PHE 16 HE2 PHE 16 5.346 -5.648 5.114 134 HE2 PHE 16 HE1 PHE 16 3.522 -4.400 1.474 135 HZ PHE 16 HZ PHE 16 5.480 -4.467 2.965 136 H ARG 17 H ARG 17 -0.765 -7.100 7.406 137 HA ARG 17 HA ARG 17 -3.160 -8.247 6.397 138 HB2 ARG 17 2HB ARG 17 -2.460 -7.705 9.318 139 HB3 ARG 17 3HB ARG 17 -3.742 -8.767 8.747 140 HG2 ARG 17 2HG ARG 17 -0.759 -9.172 8.492 141 HG3 ARG 17 3HG ARG 17 -1.898 -10.146 9.413 142 HD2 ARG 17 2HD ARG 17 -2.900 -10.986 7.348 143 HD3 ARG 17 3HD ARG 17 -1.883 -9.913 6.381 144 HE ARG 17 HE ARG 17 -0.127 -11.434 7.849 145 HH11 ARG 17 1HH1 ARG 17 -2.664 -12.124 5.517 146 HH12 ARG 17 2HH1 ARG 17 -1.902 -13.571 4.939 147 HH21 ARG 17 1HH2 ARG 17 0.850 -13.337 7.084 148 HH22 ARG 17 2HH2 ARG 17 0.082 -14.255 5.829 149 H GLU 18 H GLU 18 -2.457 -5.304 8.202 150 HA GLU 18 HA GLU 18 -5.008 -4.243 8.552 151 HB2 GLU 18 2HB GLU 18 -2.477 -3.425 9.203 152 HB3 GLU 18 3HB GLU 18 -2.749 -2.359 7.839 153 HG2 GLU 18 2HG GLU 18 -4.264 -2.486 10.451 154 HG3 GLU 18 3HG GLU 18 -3.303 -1.154 9.825 155 H LEU 19 H LEU 19 -2.687 -3.693 5.882 156 HA LEU 19 HA LEU 19 -4.343 -1.888 4.457 157 HB2 LEU 19 2HB LEU 19 -1.673 -3.176 3.902 158 HB3 LEU 19 3HB LEU 19 -2.519 -2.416 2.567 159 HG LEU 19 HG LEU 19 -0.909 -0.848 3.527 160 HD11 LEU 19 1HD1 LEU 19 -2.960 0.113 2.574 161 HD12 LEU 19 2HD1 LEU 19 -2.348 1.096 3.899 162 HD13 LEU 19 3HD1 LEU 19 -3.746 0.050 4.156 163 HD21 LEU 19 3HD2 LEU 19 -0.774 -1.696 5.822 164 HD22 LEU 19 1HD2 LEU 19 -2.402 -1.105 6.166 165 HD23 LEU 19 2HD2 LEU 19 -1.098 0.034 5.818 166 H ILE 20 H ILE 20 -3.610 -5.352 3.807 167 HA ILE 20 HA ILE 20 -4.864 -5.578 1.311 168 HB ILE 20 HB ILE 20 -4.508 -7.727 3.463 169 HG12 ILE 20 2HG1 ILE 20 -2.350 -6.806 2.713 170 HG13 ILE 20 3HG1 ILE 20 -2.524 -8.453 2.133 171 HG21 ILE 20 1HG2 ILE 20 -4.782 -9.414 1.668 172 HG22 ILE 20 2HG2 ILE 20 -5.204 -8.136 0.528 173 HG23 ILE 20 3HG2 ILE 20 -6.253 -8.466 1.908 174 HD11 ILE 20 3HD1 ILE 20 -1.499 -7.043 0.471 175 HD12 ILE 20 1HD1 ILE 20 -2.871 -5.936 0.508 176 HD13 ILE 20 2HD1 ILE 20 -3.078 -7.581 -0.096 177 H GLU 21 H GLU 21 -6.146 -6.079 4.597 178 HA GLU 21 HA GLU 21 -8.822 -6.752 3.910 179 HB2 GLU 21 2HB GLU 21 -7.619 -5.593 6.453 180 HB3 GLU 21 3HB GLU 21 -9.288 -6.145 6.331 181 HG2 GLU 21 2HG GLU 21 -8.542 -8.435 5.899 182 HG3 GLU 21 3HG GLU 21 -6.865 -7.902 5.851 183 H ARG 22 H ARG 22 -7.190 -3.670 4.511 184 HA ARG 22 HA ARG 22 -9.470 -1.993 4.472 185 HB2 ARG 22 2HB ARG 22 -6.922 -1.593 5.231 186 HB3 ARG 22 3HB ARG 22 -6.749 -0.977 3.598 187 HG2 ARG 22 2HG ARG 22 -8.720 0.057 5.660 188 HG3 ARG 22 3HG ARG 22 -7.160 0.781 5.302 189 HD2 ARG 22 2HD ARG 22 -7.926 1.268 2.994 190 HD3 ARG 22 3HD ARG 22 -9.496 0.554 3.369 191 HE ARG 22 HE ARG 22 -8.396 3.043 4.549 192 HH11 ARG 22 1HH1 ARG 22 -11.212 1.058 3.785 193 HH12 ARG 22 2HH1 ARG 22 -12.340 2.284 4.256 194 HH21 ARG 22 1HH2 ARG 22 -9.886 4.607 5.178 195 HH22 ARG 22 2HH2 ARG 22 -11.593 4.296 5.048 196 H LEU 23 H LEU 23 -7.358 -3.243 1.889 197 HA LEU 23 HA LEU 23 -8.347 -1.402 -0.109 198 HB2 LEU 23 2HB LEU 23 -6.625 -3.890 -0.434 199 HB3 LEU 23 3HB LEU 23 -6.936 -2.698 -1.688 200 HG LEU 23 HG LEU 23 -5.399 -2.214 0.893 201 HD11 LEU 23 1HD1 LEU 23 -3.423 -1.907 -0.496 202 HD12 LEU 23 2HD1 LEU 23 -4.359 -2.288 -1.944 203 HD13 LEU 23 3HD1 LEU 23 -4.110 -3.517 -0.702 204 HD21 LEU 23 3HD2 LEU 23 -4.874 0.029 0.048 205 HD22 LEU 23 1HD2 LEU 23 -6.602 -0.184 0.332 206 HD23 LEU 23 2HD2 LEU 23 -5.968 -0.226 -1.311 207 H GLU 24 H GLU 24 -9.239 -4.585 1.021 208 HA GLU 24 HA GLU 24 -10.934 -5.210 -1.275 209 HB2 GLU 24 2HB GLU 24 -10.325 -6.716 1.292 210 HB3 GLU 24 3HB GLU 24 -11.497 -7.284 0.105 211 HG2 GLU 24 2HG GLU 24 -9.702 -7.319 -1.627 212 HG3 GLU 24 3HG GLU 24 -8.544 -6.818 -0.398 213 H GLU 25 H GLU 25 -11.394 -3.808 1.937 214 HA GLU 25 HA GLU 25 -14.294 -3.960 1.817 215 HB2 GLU 25 2HB GLU 25 -14.345 -2.470 3.736 216 HB3 GLU 25 3HB GLU 25 -13.068 -3.653 3.985 217 HG2 GLU 25 2HG GLU 25 -11.403 -1.951 3.234 218 HG3 GLU 25 3HG GLU 25 -12.706 -0.776 3.127 219 H GLU 26 H GLU 26 -11.899 -2.032 0.319 220 HA GLU 26 HA GLU 26 -13.713 0.152 -0.368 221 HB2 GLU 26 2HB GLU 26 -10.773 -0.274 -1.020 222 HB3 GLU 26 3HB GLU 26 -11.703 1.160 -1.440 223 HG2 GLU 26 2HG GLU 26 -11.035 0.187 1.346 224 HG3 GLU 26 3HG GLU 26 -10.391 1.616 0.546 225 H ARG 27 H ARG 27 -15.194 -0.723 -1.653 226 HA ARG 27 HA ARG 27 -14.651 -2.075 -4.154 227 HB2 ARG 27 2HB ARG 27 -17.199 -0.888 -2.943 228 HB3 ARG 27 3HB ARG 27 -17.160 -1.643 -4.531 229 HG2 ARG 27 2HG ARG 27 -17.997 -3.303 -3.063 230 HG3 ARG 27 3HG ARG 27 -16.330 -3.759 -3.396 231 HD2 ARG 27 2HD ARG 27 -15.706 -2.658 -1.175 232 HD3 ARG 27 3HD ARG 27 -17.440 -2.523 -0.849 233 HE ARG 27 HE ARG 27 -16.687 -5.192 -1.556 234 HH11 ARG 27 1HH1 ARG 27 -16.693 -2.979 1.197 235 HH12 ARG 27 2HH1 ARG 27 -16.696 -4.263 2.364 236 HH21 ARG 27 1HH2 ARG 27 -16.630 -6.828 -0.009 237 HH22 ARG 27 2HH2 ARG 27 -16.660 -6.441 1.683 238 HA PRO 28 HA PRO 28 -16.142 -1.884 -6.403 239 HB2 PRO 28 2HB PRO 28 -15.214 -1.585 -8.950 240 HB3 PRO 28 3HB PRO 28 -16.585 -0.637 -8.335 241 HG2 PRO 28 2HG PRO 28 -13.704 0.175 -8.578 242 HG3 PRO 28 3HG PRO 28 -15.165 1.076 -9.043 243 HD2 PRO 28 2HD PRO 28 -13.852 1.539 -6.693 244 HD3 PRO 28 3HD PRO 28 -15.607 1.757 -6.866 245 H SER 29 H SER 29 -12.723 -0.858 -6.839 246 HA SER 29 HA SER 29 -11.615 -3.309 -5.970 247 HB2 SER 29 2HB SER 29 -12.419 -4.135 -8.180 248 HB3 SER 29 3HB SER 29 -11.507 -2.863 -8.992 249 HG SER 29 HG SER 29 -9.738 -3.971 -8.744 250 H VAL 30 H VAL 30 -9.822 -2.556 -4.997 251 HA VAL 30 HA VAL 30 -8.123 -0.513 -6.279 252 HB VAL 30 HB VAL 30 -7.785 -1.797 -3.518 253 HG11 VAL 30 1HG1 VAL 30 -6.195 0.071 -3.088 254 HG12 VAL 30 2HG1 VAL 30 -6.375 0.602 -4.758 255 HG13 VAL 30 3HG1 VAL 30 -5.658 -0.971 -4.406 256 HG21 VAL 30 3HG2 VAL 30 -8.651 0.312 -2.562 257 HG22 VAL 30 1HG2 VAL 30 -9.861 -0.472 -3.581 258 HG23 VAL 30 2HG2 VAL 30 -8.973 0.927 -4.184 259 H GLN 31 H GLN 31 -6.420 -1.185 -7.478 260 HA GLN 31 HA GLN 31 -5.684 -3.981 -7.678 261 HB2 GLN 31 2HB GLN 31 -4.281 -1.584 -8.962 262 HB3 GLN 31 3HB GLN 31 -4.174 -3.266 -9.459 263 HG2 GLN 31 2HG GLN 31 -6.613 -1.479 -9.697 264 HG3 GLN 31 3HG GLN 31 -5.561 -1.990 -11.013 265 HE21 GLN 31 1HE2 GLN 31 -5.702 -4.156 -11.755 266 HE22 GLN 31 2HE2 GLN 31 -7.065 -5.154 -11.397 267 H TYR 32 H TYR 32 -4.085 -4.961 -6.504 268 HA TYR 32 HA TYR 32 -1.765 -3.443 -5.578 269 HB2 TYR 32 2HB TYR 32 -1.927 -4.279 -3.254 270 HB3 TYR 32 3HB TYR 32 -3.266 -3.227 -3.671 271 HD1 TYR 32 HD2 TYR 32 -2.331 -6.795 -3.031 272 HD2 TYR 32 HD1 TYR 32 -5.561 -4.025 -3.512 273 HE1 TYR 32 HE2 TYR 32 -3.904 -8.469 -2.163 274 HE2 TYR 32 HE1 TYR 32 -7.122 -5.711 -2.634 275 HH TYR 32 HH TYR 32 -7.311 -8.044 -2.294 276 H THR 33 H THR 33 0.079 -4.723 -5.161 277 HA THR 33 HA THR 33 -0.022 -7.600 -5.794 278 HB THR 33 HB THR 33 1.833 -5.601 -7.206 279 HG1 THR 33 HG1 THR 33 -0.497 -5.890 -7.892 280 HG21 THR 33 3HG2 THR 33 1.644 -8.632 -7.544 281 HG22 THR 33 1HG2 THR 33 3.001 -7.756 -6.820 282 HG23 THR 33 2HG2 THR 33 2.628 -7.552 -8.530 283 H GLU 34 H GLU 34 0.860 -8.474 -3.996 284 HA GLU 34 HA GLU 34 2.935 -7.123 -2.437 285 HB2 GLU 34 2HB GLU 34 0.964 -8.246 -1.377 286 HB3 GLU 34 3HB GLU 34 1.502 -9.793 -2.005 287 HG2 GLU 34 2HG GLU 34 3.312 -8.197 -0.187 288 HG3 GLU 34 3HG GLU 34 1.986 -9.127 0.498 289 H THR 35 H THR 35 5.078 -7.868 -2.261 290 HA THR 35 HA THR 35 6.070 -10.013 -3.996 291 HB THR 35 HB THR 35 7.050 -7.129 -4.310 292 HG1 THR 35 HG1 THR 35 5.196 -8.642 -5.818 293 HG21 THR 35 3HG2 THR 35 7.702 -9.615 -5.931 294 HG22 THR 35 1HG2 THR 35 8.798 -8.794 -4.813 295 HG23 THR 35 2HG2 THR 35 8.267 -7.982 -6.287 296 H THR 36 H THR 36 7.329 -11.123 -2.539 297 HA THR 36 HA THR 36 8.692 -9.804 -0.322 298 HB THR 36 HB THR 36 8.685 -12.773 -1.042 299 HG1 THR 36 HG1 THR 36 6.648 -11.250 -0.280 300 HG21 THR 36 3HG2 THR 36 10.439 -12.153 0.612 301 HG22 THR 36 1HG2 THR 36 9.164 -13.118 1.360 302 HG23 THR 36 2HG2 THR 36 9.214 -11.373 1.616 303 H ARG 37 H ARG 37 10.891 -9.675 -0.035 304 HA ARG 37 HA ARG 37 12.838 -10.901 -1.803 305 HB2 ARG 37 2HB ARG 37 12.271 -8.949 -3.151 306 HB3 ARG 37 3HB ARG 37 12.434 -7.879 -1.763 307 HG2 ARG 37 2HG ARG 37 14.849 -8.265 -1.700 308 HG3 ARG 37 3HG ARG 37 14.717 -9.454 -2.998 309 HD2 ARG 37 2HD ARG 37 15.536 -7.259 -3.810 310 HD3 ARG 37 3HD ARG 37 14.020 -7.733 -4.568 311 HE ARG 37 HE ARG 37 14.306 -5.678 -2.448 312 HH11 ARG 37 1HH1 ARG 37 12.469 -6.999 -5.149 313 HH12 ARG 37 2HH1 ARG 37 11.343 -5.676 -5.164 314 HH21 ARG 37 1HH2 ARG 37 12.804 -3.973 -2.484 315 HH22 ARG 37 2HH2 ARG 37 11.529 -3.978 -3.667 316 H ASN 38 H ASN 38 14.336 -11.584 -0.412 317 HA ASN 38 HA ASN 38 15.875 -11.751 1.264 318 HB2 ASN 38 2HB ASN 38 15.508 -8.729 1.493 319 HB3 ASN 38 3HB ASN 38 16.724 -9.635 2.378 320 HD21 ASN 38 1HD2 ASN 38 15.975 -10.410 -0.994 321 HD22 ASN 38 2HD2 ASN 38 17.441 -9.787 -1.638 322 H GLY 39 H GLY 39 12.879 -11.855 1.723 323 HA2 GLY 39 2HA GLY 39 11.647 -12.596 3.579 324 HA3 GLY 39 3HA GLY 39 12.848 -11.905 4.660 325 H ARG 40 H ARG 40 12.476 -9.459 2.656 326 HA ARG 40 HA ARG 40 10.485 -8.059 4.303 327 HB2 ARG 40 2HB ARG 40 12.386 -6.891 2.218 328 HB3 ARG 40 3HB ARG 40 11.521 -6.022 3.484 329 HG2 ARG 40 2HG ARG 40 12.917 -7.097 5.194 330 HG3 ARG 40 3HG ARG 40 13.754 -8.022 3.946 331 HD2 ARG 40 2HD ARG 40 14.622 -5.936 2.966 332 HD3 ARG 40 3HD ARG 40 13.752 -4.993 4.183 333 HE ARG 40 HE ARG 40 15.407 -6.773 5.554 334 HH11 ARG 40 1HH1 ARG 40 15.794 -4.043 3.364 335 HH12 ARG 40 2HH1 ARG 40 17.341 -3.587 4.013 336 HH21 ARG 40 1HH2 ARG 40 17.449 -6.156 6.407 337 HH22 ARG 40 2HH2 ARG 40 18.275 -4.784 5.737 338 H ARG 41 H ARG 41 8.469 -7.968 3.449 339 HA ARG 41 HA ARG 41 8.054 -8.334 0.562 340 HB2 ARG 41 2HB ARG 41 5.610 -8.608 1.199 341 HB3 ARG 41 3HB ARG 41 6.692 -9.860 1.767 342 HG2 ARG 41 2HG ARG 41 5.832 -7.603 3.582 343 HG3 ARG 41 3HG ARG 41 4.814 -9.018 3.336 344 HD2 ARG 41 2HD ARG 41 7.632 -9.002 4.486 345 HD3 ARG 41 3HD ARG 41 6.129 -9.291 5.372 346 HE ARG 41 HE ARG 41 6.377 -11.149 3.248 347 HH11 ARG 41 1HH1 ARG 41 7.738 -10.549 6.450 348 HH12 ARG 41 2HH1 ARG 41 8.125 -12.219 6.709 349 HH21 ARG 41 1HH2 ARG 41 6.894 -13.323 3.621 350 HH22 ARG 41 2HH2 ARG 41 7.649 -13.779 5.118 351 H GLN 42 H GLN 42 6.755 -6.921 -0.669 352 HA GLN 42 HA GLN 42 6.292 -4.226 0.438 353 HB2 GLN 42 2HB GLN 42 7.053 -3.193 -1.647 354 HB3 GLN 42 3HB GLN 42 8.342 -4.188 -0.986 355 HG2 GLN 42 2HG GLN 42 7.926 -5.921 -2.634 356 HG3 GLN 42 3HG GLN 42 6.504 -5.070 -3.230 357 HE21 GLN 42 1HE2 GLN 42 6.797 -3.180 -4.474 358 HE22 GLN 42 2HE2 GLN 42 8.306 -2.844 -5.250 359 H LEU 43 H LEU 43 4.381 -3.246 -0.216 360 HA LEU 43 HA LEU 43 2.563 -4.852 -1.928 361 HB2 LEU 43 2HB LEU 43 1.855 -4.455 0.456 362 HB3 LEU 43 3HB LEU 43 1.831 -2.729 0.139 363 HG LEU 43 HG LEU 43 0.026 -3.067 -1.521 364 HD11 LEU 43 1HD1 LEU 43 0.543 -5.308 -2.306 365 HD12 LEU 43 2HD1 LEU 43 -1.122 -5.243 -1.735 366 HD13 LEU 43 3HD1 LEU 43 0.123 -5.988 -0.731 367 HD21 LEU 43 3HD2 LEU 43 -0.604 -2.539 0.778 368 HD22 LEU 43 1HD2 LEU 43 -0.609 -4.255 1.197 369 HD23 LEU 43 2HD2 LEU 43 -1.796 -3.617 0.056 370 H THR 44 H THR 44 2.596 -4.082 -3.916 371 HA THR 44 HA THR 44 3.032 -1.260 -4.552 372 HB THR 44 HB THR 44 2.872 -3.770 -6.287 373 HG1 THR 44 HG1 THR 44 4.828 -3.912 -5.527 374 HG21 THR 44 3HG2 THR 44 3.705 -2.406 -8.150 375 HG22 THR 44 1HG2 THR 44 3.637 -0.955 -7.149 376 HG23 THR 44 2HG2 THR 44 2.149 -1.789 -7.598 377 H ILE 45 H ILE 45 1.209 -0.093 -4.387 378 HA ILE 45 HA ILE 45 -1.433 -1.161 -5.153 379 HB ILE 45 HB ILE 45 -0.707 1.316 -3.507 380 HG12 ILE 45 2HG1 ILE 45 -1.717 -1.408 -2.542 381 HG13 ILE 45 3HG1 ILE 45 -0.072 -0.812 -2.368 382 HG21 ILE 45 1HG2 ILE 45 -2.896 1.559 -4.632 383 HG22 ILE 45 2HG2 ILE 45 -3.100 1.404 -2.887 384 HG23 ILE 45 3HG2 ILE 45 -3.435 0.026 -3.937 385 HD11 ILE 45 3HD1 ILE 45 -1.262 -0.612 -0.302 386 HD12 ILE 45 1HD1 ILE 45 -2.526 0.348 -1.070 387 HD13 ILE 45 2HD1 ILE 45 -0.887 0.992 -0.930 388 H ARG 46 H ARG 46 -2.539 -0.254 -6.820 389 HA ARG 46 HA ARG 46 -1.438 2.091 -8.270 390 HB2 ARG 46 2HB ARG 46 -2.744 -0.367 -9.527 391 HB3 ARG 46 3HB ARG 46 -2.047 1.005 -10.385 392 HG2 ARG 46 2HG ARG 46 0.202 0.352 -9.678 393 HG3 ARG 46 3HG ARG 46 -0.459 -0.960 -8.694 394 HD2 ARG 46 2HD ARG 46 -1.420 -1.968 -10.778 395 HD3 ARG 46 3HD ARG 46 -0.615 -0.707 -11.716 396 HE ARG 46 HE ARG 46 1.510 -1.691 -10.594 397 HH11 ARG 46 1HH1 ARG 46 -1.268 -3.555 -11.695 398 HH12 ARG 46 2HH1 ARG 46 -0.339 -4.986 -12.025 399 HH21 ARG 46 1HH2 ARG 46 2.722 -3.591 -11.061 400 HH22 ARG 46 2HH2 ARG 46 1.913 -5.000 -11.665 401 H SER 47 H SER 47 -2.936 3.657 -8.571 402 HA SER 47 HA SER 47 -5.760 2.937 -8.950 403 HB2 SER 47 2HB SER 47 -4.876 5.196 -7.097 404 HB3 SER 47 3HB SER 47 -6.537 4.777 -7.500 405 HG SER 47 HG SER 47 -5.534 2.574 -6.603 406 H ASN 48 H ASN 48 -6.787 4.161 -10.446 407 HA ASN 48 HA ASN 48 -5.263 5.692 -12.349 408 HB2 ASN 48 2HB ASN 48 -7.416 5.827 -13.595 409 HB3 ASN 48 3HB ASN 48 -7.102 4.183 -13.058 410 HD21 ASN 48 1HD2 ASN 48 -9.219 6.933 -12.740 411 HD22 ASN 48 2HD2 ASN 48 -10.396 6.157 -11.739 412 H ASP 49 H ASP 49 -6.826 6.512 -9.486 413 HA ASP 49 HA ASP 49 -7.164 9.361 -10.224 414 HB2 ASP 49 2HB ASP 49 -9.353 8.496 -9.832 415 HB3 ASP 49 3HB ASP 49 -8.829 7.544 -8.454 416 H LYS 50 H LYS 50 -6.142 10.822 -9.006 417 HA LYS 50 HA LYS 50 -3.957 10.084 -7.355 418 HB2 LYS 50 2HB LYS 50 -4.068 12.138 -8.833 419 HB3 LYS 50 3HB LYS 50 -5.191 12.857 -7.686 420 HG2 LYS 50 2HG LYS 50 -3.388 12.647 -5.909 421 HG3 LYS 50 3HG LYS 50 -2.285 12.119 -7.183 422 HD2 LYS 50 2HD LYS 50 -1.979 14.522 -6.686 423 HD3 LYS 50 3HD LYS 50 -2.556 14.293 -8.338 424 HE2 LYS 50 2HE LYS 50 -4.838 14.909 -7.642 425 HE3 LYS 50 3HE LYS 50 -4.302 15.075 -5.967 426 HZ1 LYS 50 3HZ LYS 50 -3.265 16.699 -8.232 427 HZ2 LYS 50 1HZ LYS 50 -2.900 16.902 -6.597 428 HZ3 LYS 50 2HZ LYS 50 -4.466 17.213 -7.157 429 H ASN 51 H ASN 51 -7.246 11.158 -6.667 430 HA ASN 51 HA ASN 51 -6.864 11.919 -3.928 431 HB2 ASN 51 2HB ASN 51 -9.438 11.146 -5.378 432 HB3 ASN 51 3HB ASN 51 -9.347 11.983 -3.831 433 HD21 ASN 51 1HD2 ASN 51 -7.242 13.817 -4.510 434 HD22 ASN 51 2HD2 ASN 51 -7.882 14.926 -5.666 435 H GLU 52 H GLU 52 -7.717 8.956 -5.595 436 HA GLU 52 HA GLU 52 -8.439 7.371 -3.338 437 HB2 GLU 52 2HB GLU 52 -9.053 6.856 -5.733 438 HB3 GLU 52 3HB GLU 52 -7.369 6.465 -6.051 439 HG2 GLU 52 2HG GLU 52 -8.669 4.426 -5.735 440 HG3 GLU 52 3HG GLU 52 -7.484 4.599 -4.442 441 H VAL 53 H VAL 53 -5.493 7.617 -5.331 442 HA VAL 53 HA VAL 53 -3.668 6.055 -3.964 443 HB VAL 53 HB VAL 53 -3.200 8.756 -5.319 444 HG11 VAL 53 1HG1 VAL 53 -1.271 8.227 -3.869 445 HG12 VAL 53 2HG1 VAL 53 -0.830 8.110 -5.572 446 HG13 VAL 53 3HG1 VAL 53 -1.114 6.643 -4.634 447 HG21 VAL 53 3HG2 VAL 53 -4.231 6.979 -6.742 448 HG22 VAL 53 1HG2 VAL 53 -2.821 5.963 -6.446 449 HG23 VAL 53 2HG2 VAL 53 -2.646 7.494 -7.309 450 H ASP 54 H ASP 54 -4.549 9.420 -3.361 451 HA ASP 54 HA ASP 54 -2.637 10.055 -1.396 452 HB2 ASP 54 2HB ASP 54 -3.970 11.664 -2.857 453 HB3 ASP 54 3HB ASP 54 -5.365 11.361 -1.834 454 H ARG 55 H ARG 55 -5.971 8.903 -1.244 455 HA ARG 55 HA ARG 55 -6.465 9.131 1.518 456 HB2 ARG 55 2HB ARG 55 -8.248 8.869 -0.150 457 HB3 ARG 55 3HB ARG 55 -7.655 7.276 -0.590 458 HG2 ARG 55 2HG ARG 55 -9.727 7.228 0.789 459 HG3 ARG 55 3HG ARG 55 -8.389 6.339 1.515 460 HD2 ARG 55 2HD ARG 55 -9.782 7.752 3.099 461 HD3 ARG 55 3HD ARG 55 -8.038 8.019 3.166 462 HE ARG 55 HE ARG 55 -9.420 9.831 1.399 463 HH11 ARG 55 1HH1 ARG 55 -8.507 9.289 4.752 464 HH12 ARG 55 2HH1 ARG 55 -8.563 10.974 5.161 465 HH21 ARG 55 1HH2 ARG 55 -9.390 12.060 1.936 466 HH22 ARG 55 2HH2 ARG 55 -9.060 12.533 3.578 467 H ILE 56 H ILE 56 -5.250 6.399 -0.422 468 HA ILE 56 HA ILE 56 -5.053 4.525 1.749 469 HB ILE 56 HB ILE 56 -3.739 4.466 -1.017 470 HG12 ILE 56 2HG1 ILE 56 -6.341 3.105 -0.144 471 HG13 ILE 56 3HG1 ILE 56 -6.286 4.629 -1.019 472 HG21 ILE 56 1HG2 ILE 56 -3.552 2.019 -0.684 473 HG22 ILE 56 2HG2 ILE 56 -4.191 2.192 0.951 474 HG23 ILE 56 3HG2 ILE 56 -2.634 2.911 0.536 475 HD11 ILE 56 3HD1 ILE 56 -5.199 3.493 -2.901 476 HD12 ILE 56 1HD1 ILE 56 -6.778 2.811 -2.514 477 HD13 ILE 56 2HD1 ILE 56 -5.311 1.961 -2.028 478 H LEU 57 H LEU 57 -2.931 6.828 0.196 479 HA LEU 57 HA LEU 57 -0.412 5.935 1.151 480 HB2 LEU 57 2HB LEU 57 -0.719 7.340 -0.870 481 HB3 LEU 57 3HB LEU 57 -1.292 8.664 0.130 482 HG LEU 57 HG LEU 57 0.962 8.829 1.181 483 HD11 LEU 57 1HD1 LEU 57 1.729 6.573 1.015 484 HD12 LEU 57 2HD1 LEU 57 2.875 7.636 0.199 485 HD13 LEU 57 3HD1 LEU 57 1.752 6.655 -0.751 486 HD21 LEU 57 3HD2 LEU 57 0.439 10.263 -0.726 487 HD22 LEU 57 1HD2 LEU 57 0.998 9.017 -1.846 488 HD23 LEU 57 2HD2 LEU 57 2.140 9.805 -0.754 489 H GLU 58 H GLU 58 -2.641 8.495 2.250 490 HA GLU 58 HA GLU 58 -0.944 9.455 4.336 491 HB2 GLU 58 2HB GLU 58 -2.889 10.787 5.055 492 HB3 GLU 58 3HB GLU 58 -2.634 10.908 3.318 493 HG2 GLU 58 2HG GLU 58 -4.483 9.327 2.923 494 HG3 GLU 58 3HG GLU 58 -4.725 9.159 4.655 495 H GLU 59 H GLU 59 -3.400 6.964 4.096 496 HA GLU 59 HA GLU 59 -3.844 6.786 6.947 497 HB2 GLU 59 2HB GLU 59 -5.625 6.352 5.143 498 HB3 GLU 59 3HB GLU 59 -4.867 4.775 4.920 499 HG2 GLU 59 2HG GLU 59 -5.167 4.470 7.484 500 HG3 GLU 59 3HG GLU 59 -6.234 5.868 7.403 501 H VAL 60 H VAL 60 -1.978 4.913 4.514 502 HA VAL 60 HA VAL 60 -1.356 2.713 6.209 503 HB VAL 60 HB VAL 60 -0.940 2.502 3.801 504 HG11 VAL 60 1HG1 VAL 60 0.954 3.599 2.663 505 HG12 VAL 60 2HG1 VAL 60 1.286 4.542 4.118 506 HG13 VAL 60 3HG1 VAL 60 -0.227 4.777 3.240 507 HG21 VAL 60 3HG2 VAL 60 1.272 1.420 3.844 508 HG22 VAL 60 1HG2 VAL 60 0.378 1.057 5.320 509 HG23 VAL 60 2HG2 VAL 60 1.674 2.255 5.343 510 H ARG 61 H ARG 61 0.063 5.897 5.855 511 HA ARG 61 HA ARG 61 2.350 5.561 7.512 512 HB2 ARG 61 2HB ARG 61 0.714 8.036 6.811 513 HB3 ARG 61 3HB ARG 61 2.286 8.077 7.607 514 HG2 ARG 61 2HG ARG 61 3.376 7.154 5.649 515 HG3 ARG 61 3HG ARG 61 1.819 6.875 4.860 516 HD2 ARG 61 2HD ARG 61 2.867 8.864 3.922 517 HD3 ARG 61 3HD ARG 61 1.421 9.328 4.822 518 HE ARG 61 HE ARG 61 4.101 9.534 6.045 519 HH11 ARG 61 1HH1 ARG 61 1.139 11.178 5.038 520 HH12 ARG 61 2HH1 ARG 61 1.576 12.667 5.820 521 HH21 ARG 61 1HH2 ARG 61 4.665 11.498 7.012 522 HH22 ARG 61 2HH2 ARG 61 3.578 12.849 6.935 523 H ARG 62 H ARG 62 -1.042 6.276 8.209 524 HA ARG 62 HA ARG 62 -0.710 6.880 11.013 525 HB2 ARG 62 2HB ARG 62 -3.154 6.217 9.326 526 HB3 ARG 62 3HB ARG 62 -3.242 6.648 11.030 527 HG2 ARG 62 2HG ARG 62 -2.320 8.875 10.543 528 HG3 ARG 62 3HG ARG 62 -2.173 8.453 8.832 529 HD2 ARG 62 2HD ARG 62 -4.209 9.815 9.330 530 HD3 ARG 62 3HD ARG 62 -4.585 8.242 8.619 531 HE ARG 62 HE ARG 62 -4.640 8.173 11.485 532 HH11 ARG 62 1HH1 ARG 62 -6.607 9.108 8.707 533 HH12 ARG 62 2HH1 ARG 62 -8.104 8.908 9.567 534 HH21 ARG 62 1HH2 ARG 62 -6.617 7.875 12.575 535 HH22 ARG 62 2HH2 ARG 62 -8.106 8.214 11.747 536 H LYS 63 H LYS 63 -1.755 4.065 9.139 537 HA LYS 63 HA LYS 63 -2.648 2.497 11.382 538 HB2 LYS 63 2HB LYS 63 -2.231 1.818 8.430 539 HB3 LYS 63 3HB LYS 63 -2.919 0.700 9.601 540 HG2 LYS 63 2HG LYS 63 -4.119 3.361 8.773 541 HG3 LYS 63 3HG LYS 63 -4.652 1.761 8.246 542 HD2 LYS 63 2HD LYS 63 -5.066 1.251 10.741 543 HD3 LYS 63 3HD LYS 63 -4.857 2.983 11.018 544 HE2 LYS 63 2HE LYS 63 -7.234 2.392 10.808 545 HE3 LYS 63 3HE LYS 63 -6.738 3.455 9.488 546 HZ1 LYS 63 3HZ LYS 63 -6.684 1.647 7.994 547 HZ2 LYS 63 1HZ LYS 63 -8.137 1.501 8.847 548 HZ3 LYS 63 2HZ LYS 63 -6.831 0.500 9.225 549 H VAL 64 H VAL 64 0.146 2.625 9.290 550 HA VAL 64 HA VAL 64 1.563 0.568 10.869 551 HB VAL 64 HB VAL 64 1.869 1.149 7.880 552 HG11 VAL 64 1HG1 VAL 64 3.320 -0.842 7.846 553 HG12 VAL 64 2HG1 VAL 64 3.147 -1.005 9.591 554 HG13 VAL 64 3HG1 VAL 64 3.966 0.404 8.917 555 HG21 VAL 64 3HG2 VAL 64 0.831 -1.049 7.478 556 HG22 VAL 64 1HG2 VAL 64 -0.281 0.025 8.328 557 HG23 VAL 64 2HG2 VAL 64 0.558 -1.255 9.208 558 HA PRO 65 HA PRO 65 4.199 4.334 11.302 559 HB2 PRO 65 2HB PRO 65 5.310 3.683 13.693 560 HB3 PRO 65 3HB PRO 65 3.641 4.279 13.576 561 HG2 PRO 65 2HG PRO 65 4.599 1.441 13.836 562 HG3 PRO 65 3HG PRO 65 3.294 2.266 14.722 563 HD2 PRO 65 2HD PRO 65 2.823 0.645 12.566 564 HD3 PRO 65 3HD PRO 65 1.777 2.024 12.977 565 H ASN 66 H ASN 66 4.863 1.077 10.701 566 HA ASN 66 HA ASN 66 7.807 1.397 10.625 567 HB2 ASN 66 2HB ASN 66 6.151 -1.176 10.601 568 HB3 ASN 66 3HB ASN 66 7.909 -1.078 10.672 569 HD21 ASN 66 1HD2 ASN 66 4.939 -0.683 12.434 570 HD22 ASN 66 2HD2 ASN 66 5.640 -0.561 14.010 571 H ALA 67 H ALA 67 5.310 1.808 8.566 572 HA ALA 67 HA ALA 67 6.056 0.193 6.303 573 HB1 ALA 67 3HB ALA 67 4.251 2.638 6.446 574 HB2 ALA 67 1HB ALA 67 3.736 0.956 6.569 575 HB3 ALA 67 2HB ALA 67 4.413 1.557 5.059 576 H ARG 68 H ARG 68 8.080 0.562 5.483 577 HA ARG 68 HA ARG 68 9.124 3.188 4.915 578 HB2 ARG 68 2HB ARG 68 10.599 1.209 5.217 579 HB3 ARG 68 3HB ARG 68 9.864 0.436 3.826 580 HG2 ARG 68 2HG ARG 68 11.881 1.229 2.970 581 HG3 ARG 68 3HG ARG 68 10.743 2.472 2.470 582 HD2 ARG 68 2HD ARG 68 12.468 2.699 4.956 583 HD3 ARG 68 3HD ARG 68 12.965 3.285 3.372 584 HE ARG 68 HE ARG 68 10.448 4.350 4.421 585 HH11 ARG 68 1HH1 ARG 68 13.907 4.875 3.968 586 HH12 ARG 68 2HH1 ARG 68 13.793 6.590 4.206 587 HH21 ARG 68 1HH2 ARG 68 10.344 6.623 4.738 588 HH22 ARG 68 2HH2 ARG 68 11.797 7.570 4.637 589 H VAL 69 H VAL 69 7.802 4.368 3.643 590 HA VAL 69 HA VAL 69 6.194 3.179 1.513 591 HB VAL 69 HB VAL 69 6.166 6.004 2.692 592 HG11 VAL 69 1HG1 VAL 69 4.185 4.694 0.790 593 HG12 VAL 69 2HG1 VAL 69 5.324 5.978 0.378 594 HG13 VAL 69 3HG1 VAL 69 4.020 6.292 1.521 595 HG21 VAL 69 3HG2 VAL 69 5.474 4.285 4.338 596 HG22 VAL 69 1HG2 VAL 69 4.253 3.686 3.212 597 HG23 VAL 69 2HG2 VAL 69 4.117 5.315 3.881 598 H ARG 70 H ARG 70 6.669 3.418 -0.576 599 HA ARG 70 HA ARG 70 8.474 5.554 -1.524 600 HB2 ARG 70 2HB ARG 70 9.764 3.435 -1.312 601 HB3 ARG 70 3HB ARG 70 8.554 2.584 -2.259 602 HG2 ARG 70 2HG ARG 70 10.522 3.016 -3.611 603 HG3 ARG 70 3HG ARG 70 9.151 3.936 -4.240 604 HD2 ARG 70 2HD ARG 70 11.235 5.251 -4.239 605 HD3 ARG 70 3HD ARG 70 10.010 5.975 -3.201 606 HE ARG 70 HE ARG 70 11.275 4.798 -1.316 607 HH11 ARG 70 1HH1 ARG 70 12.895 6.026 -4.192 608 HH12 ARG 70 2HH1 ARG 70 14.409 6.273 -3.377 609 HH21 ARG 70 1HH2 ARG 70 13.239 5.133 -0.260 610 HH22 ARG 70 2HH2 ARG 70 14.602 5.761 -1.137 611 H GLU 71 H GLU 71 6.859 6.751 -2.493 612 HA GLU 71 HA GLU 71 4.938 5.418 -4.313 613 HB2 GLU 71 2HB GLU 71 4.144 6.926 -2.356 614 HB3 GLU 71 3HB GLU 71 4.778 8.284 -3.265 615 HG2 GLU 71 2HG GLU 71 2.577 6.418 -4.205 616 HG3 GLU 71 3HG GLU 71 2.327 8.010 -3.498 617 H THR 72 H THR 72 5.202 5.696 -6.449 618 HA THR 72 HA THR 72 7.027 7.772 -7.490 619 HB THR 72 HB THR 72 7.810 6.028 -9.199 620 HG1 THR 72 HG1 THR 72 5.967 4.557 -8.416 621 HG21 THR 72 3HG2 THR 72 8.542 5.439 -6.301 622 HG22 THR 72 1HG2 THR 72 9.271 6.695 -7.311 623 HG23 THR 72 2HG2 THR 72 9.493 4.995 -7.720 624 H GLU 73 H GLU 73 5.858 9.036 -8.776 625 HA GLU 73 HA GLU 73 3.445 8.163 -10.161 626 HB2 GLU 73 2HB GLU 73 4.962 10.804 -10.396 627 HB3 GLU 73 3HB GLU 73 3.304 10.493 -10.910 628 HG2 GLU 73 2HG GLU 73 2.592 10.224 -8.610 629 HG3 GLU 73 3HG GLU 73 4.248 10.333 -8.039 630 H THR 74 H THR 74 4.069 6.663 -11.690 631 HA THR 74 HA THR 74 6.325 6.954 -13.431 632 HB THR 74 HB THR 74 5.428 4.879 -14.543 633 HG1 THR 74 HG1 THR 74 3.397 5.007 -12.538 634 HG21 THR 74 3HG2 THR 74 5.804 3.378 -12.605 635 HG22 THR 74 1HG2 THR 74 5.601 4.750 -11.510 636 HG23 THR 74 2HG2 THR 74 6.971 4.702 -12.622 637 H GLY 75 H GLY 75 6.127 8.762 -14.586 638 HA2 GLY 75 2HA GLY 75 4.347 8.836 -16.883 639 HA3 GLY 75 3HA GLY 75 4.118 10.137 -15.712 640 H SER 76 H SER 76 6.923 8.429 -17.063 641 HA SER 76 HA SER 76 8.443 10.859 -17.471 642 HB2 SER 76 2HB SER 76 10.178 9.188 -18.330 643 HB3 SER 76 3HB SER 76 9.633 8.895 -16.677 644 HG SER 76 HG SER 76 8.481 7.611 -18.929 645 H LEU 77 H LEU 77 6.403 11.431 -18.892 646 HA LEU 77 HA LEU 77 6.336 10.267 -21.572 647 HB2 LEU 77 2HB LEU 77 4.514 12.311 -20.241 648 HB3 LEU 77 3HB LEU 77 4.221 11.547 -21.796 649 HG LEU 77 HG LEU 77 4.275 10.113 -19.105 650 HD11 LEU 77 1HD1 LEU 77 1.855 9.811 -19.392 651 HD12 LEU 77 2HD1 LEU 77 1.896 10.779 -20.867 652 HD13 LEU 77 3HD1 LEU 77 2.290 11.518 -19.314 653 HD21 LEU 77 3HD2 LEU 77 5.058 8.619 -20.865 654 HD22 LEU 77 1HD2 LEU 77 3.647 8.996 -21.857 655 HD23 LEU 77 2HD2 LEU 77 3.453 8.130 -20.332 656 H GLU 78 H GLU 78 8.150 12.674 -20.214 657 HA GLU 78 HA GLU 78 8.069 14.687 -22.250 658 HB2 GLU 78 2HB GLU 78 10.327 13.964 -20.328 659 HB3 GLU 78 3HB GLU 78 10.311 15.375 -21.382 660 HG2 GLU 78 2HG GLU 78 8.307 16.224 -20.207 661 HG3 GLU 78 3HG GLU 78 8.352 14.825 -19.139 662 H HIS 79 H HIS 79 8.034 13.652 -24.176 663 HA HIS 79 HA HIS 79 9.775 11.650 -25.153 664 HB2 HIS 79 2HB HIS 79 8.832 12.220 -27.385 665 HB3 HIS 79 3HB HIS 79 7.553 12.143 -26.175 666 HD1 HIS 79 HD1 HIS 79 8.915 14.316 -28.762 667 HD2 HIS 79 HD2 HIS 79 6.740 14.869 -25.256 668 HE1 HIS 79 HE1 HIS 79 7.973 16.641 -28.903 669 HE2 HIS 79 HE2 HIS 79 6.712 16.974 -26.757 670 H HIS 80 H HIS 80 11.636 11.766 -26.406 671 HA HIS 80 HA HIS 80 13.347 14.050 -26.319 672 HB2 HIS 80 2HB HIS 80 14.260 11.760 -26.489 673 HB3 HIS 80 3HB HIS 80 13.461 11.518 -28.037 674 HD1 HIS 80 HD1 HIS 80 14.994 11.786 -29.978 675 HD2 HIS 80 HD2 HIS 80 16.229 14.081 -26.735 676 HE1 HIS 80 HE1 HIS 80 17.164 12.850 -30.677 677 HE2 HIS 80 HE2 HIS 80 17.936 14.140 -28.671 678 H HIS 81 H HIS 81 13.516 15.737 -27.736 679 HA HIS 81 HA HIS 81 11.673 15.994 -29.975 680 HB2 HIS 81 2HB HIS 81 12.432 18.284 -30.163 681 HB3 HIS 81 3HB HIS 81 12.253 17.946 -28.449 682 HD1 HIS 81 HD1 HIS 81 14.432 17.944 -27.012 683 HD2 HIS 81 HD2 HIS 81 15.051 18.847 -31.025 684 HE1 HIS 81 HE1 HIS 81 16.754 18.899 -27.149 685 HE2 HIS 81 HE2 HIS 81 16.981 19.660 -29.526 686 H HIS 82 H HIS 82 12.354 16.282 -32.193 687 HA HIS 82 HA HIS 82 14.509 14.630 -33.039 688 HB2 HIS 82 2HB HIS 82 12.516 14.970 -34.464 689 HB3 HIS 82 3HB HIS 82 12.907 16.678 -34.648 690 HD1 HIS 82 HD1 HIS 82 14.223 17.226 -36.697 691 HD2 HIS 82 HD2 HIS 82 14.666 13.237 -35.607 692 HE1 HIS 82 HE1 HIS 82 15.643 16.185 -38.483 693 HE2 HIS 82 HE2 HIS 82 16.028 13.831 -37.721 694 H HIS 83 H HIS 83 16.627 15.119 -33.112 695 HA HIS 83 HA HIS 83 17.546 17.907 -33.213 696 HB2 HIS 83 2HB HIS 83 19.747 17.113 -32.691 697 HB3 HIS 83 3HB HIS 83 18.663 16.173 -31.677 698 HD1 HIS 83 HD1 HIS 83 21.103 15.874 -34.467 699 HD2 HIS 83 HD2 HIS 83 18.543 13.398 -32.321 700 HE1 HIS 83 HE1 HIS 83 21.784 13.528 -35.040 701 HE2 HIS 83 HE2 HIS 83 20.130 12.066 -33.865 702 H HIS 84 H HIS 84 18.629 18.763 -34.976 703 HA HIS 84 HA HIS 84 18.415 17.266 -37.524 704 HB2 HIS 84 2HB HIS 84 18.429 19.603 -38.588 705 HB3 HIS 84 3HB HIS 84 17.000 19.167 -37.666 706 HD1 HIS 84 HD1 HIS 84 19.846 21.570 -37.701 707 HD2 HIS 84 HD2 HIS 84 16.581 20.675 -35.292 708 HE1 HIS 84 HE1 HIS 84 19.610 23.506 -36.124 709 HE2 HIS 84 HE2 HIS 84 17.765 22.844 -34.556 Start of MODEL 17 1 H1 MET 1 1H MET 1 0.640 14.565 -15.522 2 H2 MET 1 2H MET 1 0.313 15.433 -14.110 3 H3 MET 1 3H MET 1 -0.324 13.887 -14.318 4 HA MET 1 HA MET 1 2.554 14.522 -14.127 5 HB2 MET 1 2HB MET 1 1.319 14.869 -11.970 6 HB3 MET 1 3HB MET 1 0.718 13.221 -12.056 7 HG2 MET 1 2HG MET 1 2.966 12.336 -11.789 8 HG3 MET 1 3HG MET 1 3.650 13.960 -11.869 9 HE1 MET 1 3HE MET 1 1.442 15.591 -10.045 10 HE2 MET 1 1HE MET 1 3.189 15.846 -10.016 11 HE3 MET 1 2HE MET 1 2.315 15.543 -8.516 12 H GLY 2 H GLY 2 0.084 11.966 -13.849 13 HA2 GLY 2 2HA GLY 2 0.545 10.151 -15.687 14 HA3 GLY 2 3HA GLY 2 1.972 9.879 -14.683 15 H GLN 3 H GLN 3 0.948 7.708 -14.495 16 HA GLN 3 HA GLN 3 -1.234 7.474 -12.552 17 HB2 GLN 3 2HB GLN 3 -1.071 5.852 -14.438 18 HB3 GLN 3 3HB GLN 3 0.520 5.347 -13.876 19 HG2 GLN 3 2HG GLN 3 -0.549 4.578 -11.735 20 HG3 GLN 3 3HG GLN 3 -2.126 4.946 -12.433 21 HE21 GLN 3 1HE2 GLN 3 -1.054 2.416 -11.509 22 HE22 GLN 3 2HE2 GLN 3 -1.141 1.329 -12.846 23 H TRP 4 H TRP 4 -0.872 7.312 -10.414 24 HA TRP 4 HA TRP 4 1.847 7.424 -9.370 25 HB2 TRP 4 2HB TRP 4 -0.839 7.568 -7.936 26 HB3 TRP 4 3HB TRP 4 0.727 7.936 -7.219 27 HD1 TRP 4 HD1 TRP 4 1.820 10.320 -7.846 28 HE1 TRP 4 HE1 TRP 4 0.838 12.451 -8.892 29 HE3 TRP 4 HE3 TRP 4 -2.563 8.394 -9.647 30 HZ2 TRP 4 HZ2 TRP 4 -1.481 13.218 -10.299 31 HZ3 TRP 4 HZ3 TRP 4 -4.115 9.890 -10.835 32 HH2 TRP 4 HH2 TRP 4 -3.581 12.255 -11.152 33 H GLN 5 H GLN 5 2.628 5.991 -7.736 34 HA GLN 5 HA GLN 5 1.372 3.321 -7.548 35 HB2 GLN 5 2HB GLN 5 2.794 3.149 -9.515 36 HB3 GLN 5 3HB GLN 5 4.149 3.907 -8.681 37 HG2 GLN 5 2HG GLN 5 4.376 1.961 -7.218 38 HG3 GLN 5 3HG GLN 5 2.969 1.200 -7.962 39 HE21 GLN 5 1HE2 GLN 5 6.304 2.165 -8.463 40 HE22 GLN 5 2HE2 GLN 5 6.583 1.167 -9.849 41 H ILE 6 H ILE 6 1.266 2.991 -5.427 42 HA ILE 6 HA ILE 6 3.207 4.122 -3.530 43 HB ILE 6 HB ILE 6 0.709 2.450 -2.907 44 HG12 ILE 6 2HG1 ILE 6 0.776 5.497 -3.035 45 HG13 ILE 6 3HG1 ILE 6 0.135 4.479 -4.321 46 HG21 ILE 6 1HG2 ILE 6 0.784 3.544 -0.703 47 HG22 ILE 6 2HG2 ILE 6 2.197 4.480 -1.190 48 HG23 ILE 6 3HG2 ILE 6 2.313 2.725 -1.040 49 HD11 ILE 6 3HD1 ILE 6 -1.642 5.322 -2.951 50 HD12 ILE 6 1HD1 ILE 6 -0.911 4.640 -1.501 51 HD13 ILE 6 2HD1 ILE 6 -1.528 3.573 -2.768 52 H LYS 7 H LYS 7 5.034 2.780 -3.444 53 HA LYS 7 HA LYS 7 4.594 -0.115 -3.003 54 HB2 LYS 7 2HB LYS 7 7.074 1.413 -3.886 55 HB3 LYS 7 3HB LYS 7 7.146 -0.253 -3.307 56 HG2 LYS 7 2HG LYS 7 5.436 -0.841 -5.104 57 HG3 LYS 7 3HG LYS 7 5.692 0.782 -5.759 58 HD2 LYS 7 2HD LYS 7 8.066 0.293 -6.125 59 HD3 LYS 7 3HD LYS 7 7.881 -1.292 -5.368 60 HE2 LYS 7 2HE LYS 7 6.377 -1.992 -7.171 61 HE3 LYS 7 3HE LYS 7 6.510 -0.399 -7.921 62 HZ1 LYS 7 3HZ LYS 7 8.853 -0.781 -8.263 63 HZ2 LYS 7 1HZ LYS 7 7.959 -2.030 -8.963 64 HZ3 LYS 7 2HZ LYS 7 8.766 -2.285 -7.500 65 H ILE 8 H ILE 8 4.311 -0.544 -1.009 66 HA ILE 8 HA ILE 8 5.437 1.067 1.173 67 HB ILE 8 HB ILE 8 3.431 -1.254 1.267 68 HG12 ILE 8 2HG1 ILE 8 2.704 1.707 1.428 69 HG13 ILE 8 3HG1 ILE 8 2.690 0.823 -0.094 70 HG21 ILE 8 1HG2 ILE 8 4.125 0.855 3.357 71 HG22 ILE 8 2HG2 ILE 8 4.586 -0.850 3.405 72 HG23 ILE 8 3HG2 ILE 8 2.888 -0.391 3.520 73 HD11 ILE 8 3HD1 ILE 8 0.481 0.988 0.863 74 HD12 ILE 8 1HD1 ILE 8 1.017 0.165 2.326 75 HD13 ILE 8 2HD1 ILE 8 1.003 -0.693 0.781 76 H TYR 9 H TYR 9 6.968 0.215 2.538 77 HA TYR 9 HA TYR 9 7.835 -2.603 2.190 78 HB2 TYR 9 2HB TYR 9 9.537 -0.199 3.030 79 HB3 TYR 9 3HB TYR 9 10.113 -1.849 2.760 80 HD1 TYR 9 HD2 TYR 9 9.775 -2.844 0.375 81 HD2 TYR 9 HD1 TYR 9 9.522 1.346 1.180 82 HE1 TYR 9 HE2 TYR 9 10.039 -2.363 -2.021 83 HE2 TYR 9 HE1 TYR 9 9.773 1.822 -1.219 84 HH TYR 9 HH TYR 9 9.454 -0.560 -3.600 85 H SER 10 H SER 10 6.909 -3.643 3.786 86 HA SER 10 HA SER 10 7.284 -2.803 6.570 87 HB2 SER 10 2HB SER 10 4.580 -3.779 5.542 88 HB3 SER 10 3HB SER 10 4.964 -3.236 7.172 89 HG SER 10 HG SER 10 5.600 -1.281 5.528 90 H GLU 11 H GLU 11 8.794 -4.409 6.794 91 HA GLU 11 HA GLU 11 8.341 -7.102 5.849 92 HB2 GLU 11 2HB GLU 11 10.626 -5.744 6.152 93 HB3 GLU 11 3HB GLU 11 10.568 -6.380 7.787 94 HG2 GLU 11 2HG GLU 11 10.639 -8.004 5.228 95 HG3 GLU 11 3HG GLU 11 11.978 -7.755 6.331 96 H ASN 12 H ASN 12 6.300 -7.296 6.977 97 HA ASN 12 HA ASN 12 6.304 -8.846 9.320 98 HB2 ASN 12 2HB ASN 12 6.806 -6.528 10.306 99 HB3 ASN 12 3HB ASN 12 5.223 -6.013 9.749 100 HD21 ASN 12 1HD2 ASN 12 6.035 -5.909 12.420 101 HD22 ASN 12 2HD2 ASN 12 5.057 -6.998 13.340 102 H GLU 13 H GLU 13 4.460 -9.995 9.244 103 HA GLU 13 HA GLU 13 2.508 -9.643 7.180 104 HB2 GLU 13 2HB GLU 13 2.493 -11.492 9.601 105 HB3 GLU 13 3HB GLU 13 1.413 -11.634 8.214 106 HG2 GLU 13 2HG GLU 13 3.203 -12.250 6.752 107 HG3 GLU 13 3HG GLU 13 4.427 -11.784 7.933 108 H ARG 14 H ARG 14 2.600 -8.968 10.634 109 HA ARG 14 HA ARG 14 -0.083 -8.495 11.235 110 HB2 ARG 14 2HB ARG 14 1.633 -8.655 12.969 111 HB3 ARG 14 3HB ARG 14 2.462 -7.230 12.360 112 HG2 ARG 14 2HG ARG 14 1.265 -6.716 14.429 113 HG3 ARG 14 3HG ARG 14 0.570 -5.814 13.082 114 HD2 ARG 14 2HD ARG 14 -1.202 -6.660 14.508 115 HD3 ARG 14 3HD ARG 14 -1.269 -7.488 12.951 116 HE ARG 14 HE ARG 14 0.214 -9.186 14.442 117 HH11 ARG 14 1HH1 ARG 14 -2.894 -7.658 15.080 118 HH12 ARG 14 2HH1 ARG 14 -3.472 -8.953 16.079 119 HH21 ARG 14 1HH2 ARG 14 -0.538 -10.885 15.759 120 HH22 ARG 14 2HH2 ARG 14 -2.119 -10.802 16.470 121 H GLU 15 H GLU 15 2.316 -6.357 9.778 122 HA GLU 15 HA GLU 15 0.727 -3.957 9.977 123 HB2 GLU 15 2HB GLU 15 3.215 -4.449 8.280 124 HB3 GLU 15 3HB GLU 15 2.564 -2.892 8.797 125 HG2 GLU 15 2HG GLU 15 2.979 -3.566 11.177 126 HG3 GLU 15 3HG GLU 15 3.765 -5.025 10.578 127 H PHE 16 H PHE 16 1.790 -6.064 7.310 128 HA PHE 16 HA PHE 16 0.331 -4.732 5.284 129 HB2 PHE 16 2HB PHE 16 1.862 -7.320 5.416 130 HB3 PHE 16 3HB PHE 16 0.772 -7.082 4.053 131 HD1 PHE 16 HD2 PHE 16 1.499 -3.831 4.361 132 HD2 PHE 16 HD1 PHE 16 3.605 -7.476 3.593 133 HE1 PHE 16 HE2 PHE 16 3.212 -2.594 3.136 134 HE2 PHE 16 HE1 PHE 16 5.295 -6.207 2.366 135 HZ PHE 16 HZ PHE 16 5.119 -3.775 2.130 136 H ARG 17 H ARG 17 -0.622 -7.316 7.451 137 HA ARG 17 HA ARG 17 -2.774 -8.281 5.868 138 HB2 ARG 17 2HB ARG 17 -3.528 -9.513 7.791 139 HB3 ARG 17 3HB ARG 17 -1.774 -9.540 7.792 140 HG2 ARG 17 2HG ARG 17 -2.069 -9.115 10.020 141 HG3 ARG 17 3HG ARG 17 -2.123 -7.452 9.454 142 HD2 ARG 17 2HD ARG 17 -4.682 -7.716 9.362 143 HD3 ARG 17 3HD ARG 17 -4.447 -9.232 10.242 144 HE ARG 17 HE ARG 17 -3.229 -6.874 11.429 145 HH11 ARG 17 1HH1 ARG 17 -6.057 -8.991 11.416 146 HH12 ARG 17 2HH1 ARG 17 -6.590 -8.461 12.981 147 HH21 ARG 17 1HH2 ARG 17 -4.006 -6.130 13.414 148 HH22 ARG 17 2HH2 ARG 17 -5.430 -6.849 14.109 149 H GLU 18 H GLU 18 -2.502 -5.628 8.183 150 HA GLU 18 HA GLU 18 -5.272 -4.957 8.362 151 HB2 GLU 18 2HB GLU 18 -2.831 -3.178 8.808 152 HB3 GLU 18 3HB GLU 18 -4.469 -2.833 9.360 153 HG2 GLU 18 2HG GLU 18 -4.402 -4.788 10.843 154 HG3 GLU 18 3HG GLU 18 -2.787 -5.189 10.277 155 H LEU 19 H LEU 19 -2.640 -4.075 6.186 156 HA LEU 19 HA LEU 19 -4.106 -2.137 4.682 157 HB2 LEU 19 2HB LEU 19 -1.464 -3.549 4.311 158 HB3 LEU 19 3HB LEU 19 -2.193 -2.784 2.907 159 HG LEU 19 HG LEU 19 -0.628 -1.224 3.877 160 HD11 LEU 19 1HD1 LEU 19 -2.698 -0.257 2.940 161 HD12 LEU 19 2HD1 LEU 19 -2.057 0.728 4.246 162 HD13 LEU 19 3HD1 LEU 19 -3.457 -0.300 4.535 163 HD21 LEU 19 3HD2 LEU 19 -0.781 -0.362 6.181 164 HD22 LEU 19 1HD2 LEU 19 -0.494 -2.101 6.175 165 HD23 LEU 19 2HD2 LEU 19 -2.105 -1.476 6.532 166 H ILE 20 H ILE 20 -3.569 -5.638 4.284 167 HA ILE 20 HA ILE 20 -4.782 -5.890 1.731 168 HB ILE 20 HB ILE 20 -4.593 -7.997 3.952 169 HG12 ILE 20 2HG1 ILE 20 -2.357 -7.248 3.253 170 HG13 ILE 20 3HG1 ILE 20 -2.632 -8.883 2.692 171 HG21 ILE 20 1HG2 ILE 20 -6.335 -8.635 2.347 172 HG22 ILE 20 2HG2 ILE 20 -4.934 -9.690 2.172 173 HG23 ILE 20 3HG2 ILE 20 -5.219 -8.404 0.997 174 HD11 ILE 20 3HD1 ILE 20 -1.449 -7.578 1.036 175 HD12 ILE 20 1HD1 ILE 20 -2.741 -6.379 1.002 176 HD13 ILE 20 2HD1 ILE 20 -3.042 -8.019 0.419 177 H GLU 21 H GLU 21 -6.038 -6.136 5.050 178 HA GLU 21 HA GLU 21 -8.745 -6.624 4.563 179 HB2 GLU 21 2HB GLU 21 -7.399 -5.031 6.783 180 HB3 GLU 21 3HB GLU 21 -9.103 -5.446 6.803 181 HG2 GLU 21 2HG GLU 21 -6.811 -7.424 6.844 182 HG3 GLU 21 3HG GLU 21 -7.752 -6.915 8.237 183 H ARG 22 H ARG 22 -6.955 -3.553 4.753 184 HA ARG 22 HA ARG 22 -9.189 -1.832 4.654 185 HB2 ARG 22 2HB ARG 22 -6.557 -1.496 5.314 186 HB3 ARG 22 3HB ARG 22 -6.526 -0.781 3.710 187 HG2 ARG 22 2HG ARG 22 -8.294 0.066 6.027 188 HG3 ARG 22 3HG ARG 22 -6.870 0.918 5.437 189 HD2 ARG 22 2HD ARG 22 -8.032 1.321 3.274 190 HD3 ARG 22 3HD ARG 22 -9.460 0.492 3.897 191 HE ARG 22 HE ARG 22 -8.539 3.162 4.528 192 HH11 ARG 22 1HH1 ARG 22 -10.681 0.558 5.550 193 HH12 ARG 22 2HH1 ARG 22 -11.700 1.621 6.470 194 HH21 ARG 22 1HH2 ARG 22 -9.847 4.510 5.753 195 HH22 ARG 22 2HH2 ARG 22 -11.231 3.861 6.582 196 H LEU 23 H LEU 23 -6.941 -2.936 2.127 197 HA LEU 23 HA LEU 23 -8.080 -1.413 0.011 198 HB2 LEU 23 2HB LEU 23 -6.096 -3.686 0.166 199 HB3 LEU 23 3HB LEU 23 -6.761 -3.248 -1.394 200 HG LEU 23 HG LEU 23 -4.585 -2.178 -1.093 201 HD11 LEU 23 1HD1 LEU 23 -6.271 -0.975 -2.407 202 HD12 LEU 23 2HD1 LEU 23 -5.142 0.122 -1.623 203 HD13 LEU 23 3HD1 LEU 23 -6.769 -0.083 -0.966 204 HD21 LEU 23 3HD2 LEU 23 -4.439 -2.002 1.334 205 HD22 LEU 23 1HD2 LEU 23 -5.716 -0.784 1.359 206 HD23 LEU 23 2HD2 LEU 23 -4.162 -0.427 0.599 207 H GLU 24 H GLU 24 -8.920 -4.481 1.447 208 HA GLU 24 HA GLU 24 -10.792 -5.252 -0.650 209 HB2 GLU 24 2HB GLU 24 -10.343 -6.366 2.147 210 HB3 GLU 24 3HB GLU 24 -11.491 -7.038 0.987 211 HG2 GLU 24 2HG GLU 24 -9.632 -7.462 -0.597 212 HG3 GLU 24 3HG GLU 24 -8.490 -6.838 0.586 213 H GLU 25 H GLU 25 -10.893 -3.016 1.894 214 HA GLU 25 HA GLU 25 -13.810 -2.939 2.110 215 HB2 GLU 25 2HB GLU 25 -11.712 -0.943 3.101 216 HB3 GLU 25 3HB GLU 25 -13.431 -0.919 3.496 217 HG2 GLU 25 2HG GLU 25 -13.172 -3.132 4.624 218 HG3 GLU 25 3HG GLU 25 -11.443 -3.062 4.283 219 H GLU 26 H GLU 26 -11.362 -1.705 0.049 220 HA GLU 26 HA GLU 26 -12.887 0.662 -0.802 221 HB2 GLU 26 2HB GLU 26 -10.020 -0.216 -1.379 222 HB3 GLU 26 3HB GLU 26 -10.744 1.311 -1.882 223 HG2 GLU 26 2HG GLU 26 -11.070 1.948 0.485 224 HG3 GLU 26 3HG GLU 26 -10.376 0.414 0.990 225 H ARG 27 H ARG 27 -14.236 0.411 -2.424 226 HA ARG 27 HA ARG 27 -13.830 -1.655 -4.503 227 HB2 ARG 27 2HB ARG 27 -16.259 -0.749 -2.952 228 HB3 ARG 27 3HB ARG 27 -16.523 -1.163 -4.642 229 HG2 ARG 27 2HG ARG 27 -16.977 -3.083 -3.204 230 HG3 ARG 27 3HG ARG 27 -15.617 -3.415 -4.271 231 HD2 ARG 27 2HD ARG 27 -14.178 -2.638 -2.177 232 HD3 ARG 27 3HD ARG 27 -15.642 -3.016 -1.279 233 HE ARG 27 HE ARG 27 -15.474 -5.291 -2.065 234 HH11 ARG 27 1HH1 ARG 27 -12.567 -3.358 -2.569 235 HH12 ARG 27 2HH1 ARG 27 -11.536 -4.746 -2.695 236 HH21 ARG 27 1HH2 ARG 27 -14.104 -7.080 -2.234 237 HH22 ARG 27 2HH2 ARG 27 -12.404 -6.850 -2.503 238 HA PRO 28 HA PRO 28 -15.887 -1.873 -6.518 239 HB2 PRO 28 2HB PRO 28 -15.294 -2.070 -9.179 240 HB3 PRO 28 3HB PRO 28 -16.563 -0.985 -8.575 241 HG2 PRO 28 2HG PRO 28 -13.727 -0.320 -9.304 242 HG3 PRO 28 3HG PRO 28 -15.228 0.517 -9.765 243 HD2 PRO 28 2HD PRO 28 -13.671 1.405 -7.733 244 HD3 PRO 28 3HD PRO 28 -15.441 1.570 -7.696 245 H SER 29 H SER 29 -12.571 -1.015 -7.344 246 HA SER 29 HA SER 29 -11.427 -3.377 -6.263 247 HB2 SER 29 2HB SER 29 -12.151 -4.385 -8.404 248 HB3 SER 29 3HB SER 29 -11.366 -3.089 -9.312 249 HG SER 29 HG SER 29 -10.110 -5.017 -7.643 250 H VAL 30 H VAL 30 -9.458 -2.770 -5.548 251 HA VAL 30 HA VAL 30 -8.007 -0.622 -6.979 252 HB VAL 30 HB VAL 30 -7.542 -1.456 -4.072 253 HG11 VAL 30 1HG1 VAL 30 -5.559 -0.490 -5.171 254 HG12 VAL 30 2HG1 VAL 30 -6.188 0.618 -3.954 255 HG13 VAL 30 3HG1 VAL 30 -6.491 0.928 -5.666 256 HG21 VAL 30 3HG2 VAL 30 -9.085 0.966 -5.098 257 HG22 VAL 30 1HG2 VAL 30 -8.668 0.646 -3.410 258 HG23 VAL 30 2HG2 VAL 30 -9.775 -0.430 -4.265 259 H GLN 31 H GLN 31 -6.011 -1.046 -7.711 260 HA GLN 31 HA GLN 31 -4.998 -3.720 -7.938 261 HB2 GLN 31 2HB GLN 31 -3.610 -1.055 -8.485 262 HB3 GLN 31 3HB GLN 31 -3.079 -2.633 -9.062 263 HG2 GLN 31 2HG GLN 31 -4.918 -2.810 -10.574 264 HG3 GLN 31 3HG GLN 31 -5.747 -1.436 -9.833 265 HE21 GLN 31 1HE2 GLN 31 -5.013 0.672 -10.277 266 HE22 GLN 31 2HE2 GLN 31 -3.966 1.012 -11.612 267 H TYR 32 H TYR 32 -4.057 -4.731 -6.200 268 HA TYR 32 HA TYR 32 -1.761 -3.419 -4.960 269 HB2 TYR 32 2HB TYR 32 -2.402 -3.950 -2.661 270 HB3 TYR 32 3HB TYR 32 -3.622 -2.920 -3.386 271 HD1 TYR 32 HD1 TYR 32 -5.868 -3.897 -4.015 272 HD2 TYR 32 HD2 TYR 32 -2.967 -6.166 -1.835 273 HE1 TYR 32 HE1 TYR 32 -7.612 -5.485 -3.335 274 HE2 TYR 32 HE2 TYR 32 -4.721 -7.750 -1.156 275 HH TYR 32 HH TYR 32 -7.796 -7.799 -2.600 276 H THR 33 H THR 33 -0.125 -4.822 -4.565 277 HA THR 33 HA THR 33 -0.557 -7.734 -4.771 278 HB THR 33 HB THR 33 1.497 -6.151 -6.416 279 HG1 THR 33 HG1 THR 33 -1.010 -7.232 -6.983 280 HG21 THR 33 3HG2 THR 33 2.446 -8.310 -5.704 281 HG22 THR 33 1HG2 THR 33 2.088 -8.332 -7.431 282 HG23 THR 33 2HG2 THR 33 1.013 -9.152 -6.297 283 H GLU 34 H GLU 34 0.176 -8.380 -2.826 284 HA GLU 34 HA GLU 34 2.511 -7.152 -1.562 285 HB2 GLU 34 2HB GLU 34 0.372 -7.914 -0.323 286 HB3 GLU 34 3HB GLU 34 0.917 -9.565 -0.569 287 HG2 GLU 34 2HG GLU 34 2.513 -7.452 0.916 288 HG3 GLU 34 3HG GLU 34 1.432 -8.594 1.703 289 H THR 35 H THR 35 4.454 -7.852 -2.018 290 HA THR 35 HA THR 35 5.007 -10.604 -2.911 291 HB THR 35 HB THR 35 6.194 -8.027 -4.078 292 HG1 THR 35 HG1 THR 35 4.146 -9.755 -4.935 293 HG21 THR 35 3HG2 THR 35 7.292 -9.485 -5.732 294 HG22 THR 35 1HG2 THR 35 6.651 -10.918 -4.914 295 HG23 THR 35 2HG2 THR 35 7.828 -9.886 -4.103 296 H THR 36 H THR 36 6.250 -11.424 -1.262 297 HA THR 36 HA THR 36 8.153 -9.771 0.207 298 HB THR 36 HB THR 36 7.734 -12.801 0.304 299 HG1 THR 36 HG1 THR 36 6.181 -10.805 1.171 300 HG21 THR 36 3HG2 THR 36 9.946 -12.117 1.210 301 HG22 THR 36 1HG2 THR 36 8.875 -12.656 2.505 302 HG23 THR 36 2HG2 THR 36 9.155 -10.933 2.254 303 H ARG 37 H ARG 37 9.763 -9.099 -1.115 304 HA ARG 37 HA ARG 37 11.127 -11.039 -2.896 305 HB2 ARG 37 2HB ARG 37 10.055 -9.091 -4.037 306 HB3 ARG 37 3HB ARG 37 11.045 -7.994 -3.083 307 HG2 ARG 37 2HG ARG 37 12.082 -8.121 -5.217 308 HG3 ARG 37 3HG ARG 37 13.091 -9.085 -4.147 309 HD2 ARG 37 2HD ARG 37 11.058 -10.159 -6.132 310 HD3 ARG 37 3HD ARG 37 12.807 -10.170 -6.332 311 HE ARG 37 HE ARG 37 11.276 -11.794 -4.387 312 HH11 ARG 37 1HH1 ARG 37 14.183 -11.359 -6.336 313 HH12 ARG 37 2HH1 ARG 37 14.848 -12.897 -5.889 314 HH21 ARG 37 1HH2 ARG 37 12.178 -13.758 -3.763 315 HH22 ARG 37 2HH2 ARG 37 13.702 -14.265 -4.425 316 H ASN 38 H ASN 38 13.149 -11.583 -2.444 317 HA ASN 38 HA ASN 38 15.283 -11.664 -1.661 318 HB2 ASN 38 2HB ASN 38 15.015 -8.663 -1.179 319 HB3 ASN 38 3HB ASN 38 16.523 -9.565 -1.275 320 HD21 ASN 38 1HD2 ASN 38 15.289 -7.329 -2.880 321 HD22 ASN 38 2HD2 ASN 38 15.441 -7.856 -4.519 322 H GLY 39 H GLY 39 12.840 -11.705 0.164 323 HA2 GLY 39 2HA GLY 39 12.829 -12.603 2.356 324 HA3 GLY 39 3HA GLY 39 14.295 -11.713 2.741 325 H ARG 40 H ARG 40 12.969 -9.268 1.363 326 HA ARG 40 HA ARG 40 11.580 -8.353 3.781 327 HB2 ARG 40 2HB ARG 40 11.941 -6.092 3.049 328 HB3 ARG 40 3HB ARG 40 13.454 -6.959 2.847 329 HG2 ARG 40 2HG ARG 40 13.029 -7.137 0.414 330 HG3 ARG 40 3HG ARG 40 11.510 -6.257 0.617 331 HD2 ARG 40 2HD ARG 40 13.235 -4.740 -0.187 332 HD3 ARG 40 3HD ARG 40 12.795 -4.299 1.467 333 HE ARG 40 HE ARG 40 15.037 -6.092 1.339 334 HH11 ARG 40 1HH1 ARG 40 14.162 -2.679 1.134 335 HH12 ARG 40 2HH1 ARG 40 15.745 -2.129 1.580 336 HH21 ARG 40 1HH2 ARG 40 17.090 -5.361 1.927 337 HH22 ARG 40 2HH2 ARG 40 17.411 -3.659 2.038 338 H ARG 41 H ARG 41 9.494 -7.604 3.788 339 HA ARG 41 HA ARG 41 7.806 -8.454 1.562 340 HB2 ARG 41 2HB ARG 41 7.112 -7.412 4.341 341 HB3 ARG 41 3HB ARG 41 5.940 -7.981 3.154 342 HG2 ARG 41 2HG ARG 41 6.978 -10.218 3.200 343 HG3 ARG 41 3HG ARG 41 8.133 -9.661 4.408 344 HD2 ARG 41 2HD ARG 41 6.312 -9.296 6.012 345 HD3 ARG 41 3HD ARG 41 5.120 -9.734 4.783 346 HE ARG 41 HE ARG 41 5.961 -11.986 4.821 347 HH11 ARG 41 1HH1 ARG 41 7.087 -10.015 7.487 348 HH12 ARG 41 2HH1 ARG 41 7.474 -11.375 8.490 349 HH21 ARG 41 1HH2 ARG 41 6.477 -13.760 6.133 350 HH22 ARG 41 2HH2 ARG 41 7.128 -13.494 7.718 351 H GLN 42 H GLN 42 6.928 -7.102 0.142 352 HA GLN 42 HA GLN 42 6.656 -4.225 0.703 353 HB2 GLN 42 2HB GLN 42 7.516 -3.679 -1.582 354 HB3 GLN 42 3HB GLN 42 8.740 -4.361 -0.521 355 HG2 GLN 42 2HG GLN 42 8.445 -6.565 -1.657 356 HG3 GLN 42 3HG GLN 42 7.313 -5.795 -2.772 357 HE21 GLN 42 1HE2 GLN 42 8.118 -4.296 -4.287 358 HE22 GLN 42 2HE2 GLN 42 9.792 -4.223 -4.698 359 H LEU 43 H LEU 43 5.047 -3.178 -0.708 360 HA LEU 43 HA LEU 43 3.070 -5.038 -1.892 361 HB2 LEU 43 2HB LEU 43 2.740 -4.185 0.672 362 HB3 LEU 43 3HB LEU 43 2.036 -2.797 -0.128 363 HG LEU 43 HG LEU 43 1.068 -5.683 -0.362 364 HD11 LEU 43 1HD1 LEU 43 -0.906 -4.920 0.893 365 HD12 LEU 43 2HD1 LEU 43 -0.169 -3.327 1.096 366 HD13 LEU 43 3HD1 LEU 43 0.579 -4.749 1.829 367 HD21 LEU 43 3HD2 LEU 43 -0.128 -3.189 -1.582 368 HD22 LEU 43 1HD2 LEU 43 -0.870 -4.789 -1.575 369 HD23 LEU 43 2HD2 LEU 43 0.635 -4.520 -2.451 370 H THR 44 H THR 44 2.990 -4.327 -3.953 371 HA THR 44 HA THR 44 3.217 -1.493 -4.641 372 HB THR 44 HB THR 44 2.870 -3.949 -6.442 373 HG1 THR 44 HG1 THR 44 4.950 -3.190 -5.021 374 HG21 THR 44 3HG2 THR 44 3.716 -1.105 -7.157 375 HG22 THR 44 1HG2 THR 44 2.179 -1.846 -7.590 376 HG23 THR 44 2HG2 THR 44 3.685 -2.481 -8.262 377 H ILE 45 H ILE 45 1.361 -0.480 -4.100 378 HA ILE 45 HA ILE 45 -1.264 -1.379 -5.115 379 HB ILE 45 HB ILE 45 -0.582 0.961 -3.236 380 HG12 ILE 45 2HG1 ILE 45 -1.707 -1.794 -2.550 381 HG13 ILE 45 3HG1 ILE 45 -0.087 -1.228 -2.176 382 HG21 ILE 45 1HG2 ILE 45 -3.296 -0.218 -3.972 383 HG22 ILE 45 2HG2 ILE 45 -2.672 1.353 -4.483 384 HG23 ILE 45 3HG2 ILE 45 -3.019 1.056 -2.780 385 HD11 ILE 45 3HD1 ILE 45 -2.660 -0.168 -1.033 386 HD12 ILE 45 1HD1 ILE 45 -1.051 0.477 -0.696 387 HD13 ILE 45 2HD1 ILE 45 -1.458 -1.172 -0.224 388 H ARG 46 H ARG 46 -2.165 -0.275 -6.845 389 HA ARG 46 HA ARG 46 -1.068 2.358 -7.630 390 HB2 ARG 46 2HB ARG 46 -1.593 0.015 -9.518 391 HB3 ARG 46 3HB ARG 46 -1.350 1.674 -10.062 392 HG2 ARG 46 2HG ARG 46 0.923 1.622 -8.971 393 HG3 ARG 46 3HG ARG 46 0.663 -0.093 -8.641 394 HD2 ARG 46 2HD ARG 46 0.775 1.226 -11.375 395 HD3 ARG 46 3HD ARG 46 1.998 0.171 -10.660 396 HE ARG 46 HE ARG 46 -0.323 -1.303 -10.682 397 HH11 ARG 46 1HH1 ARG 46 1.654 0.235 -13.148 398 HH12 ARG 46 2HH1 ARG 46 1.232 -0.915 -14.373 399 HH21 ARG 46 1HH2 ARG 46 -0.845 -2.816 -12.276 400 HH22 ARG 46 2HH2 ARG 46 -0.193 -2.655 -13.875 401 H SER 47 H SER 47 -2.524 3.726 -8.616 402 HA SER 47 HA SER 47 -5.339 2.937 -8.876 403 HB2 SER 47 2HB SER 47 -5.243 3.760 -6.575 404 HB3 SER 47 3HB SER 47 -4.323 5.177 -7.072 405 HG SER 47 HG SER 47 -7.020 4.712 -7.143 406 H ASN 48 H ASN 48 -6.445 4.154 -10.351 407 HA ASN 48 HA ASN 48 -4.963 5.721 -12.282 408 HB2 ASN 48 2HB ASN 48 -6.993 5.728 -13.588 409 HB3 ASN 48 3HB ASN 48 -6.899 4.135 -12.848 410 HD21 ASN 48 1HD2 ASN 48 -8.351 3.679 -11.058 411 HD22 ASN 48 2HD2 ASN 48 -9.815 4.573 -10.877 412 H ASP 49 H ASP 49 -6.760 6.370 -9.424 413 HA ASP 49 HA ASP 49 -7.443 9.141 -10.199 414 HB2 ASP 49 2HB ASP 49 -9.318 7.607 -9.552 415 HB3 ASP 49 3HB ASP 49 -8.592 7.393 -7.965 416 H LYS 50 H LYS 50 -6.846 10.858 -8.891 417 HA LYS 50 HA LYS 50 -4.473 10.542 -7.352 418 HB2 LYS 50 2HB LYS 50 -4.762 12.531 -8.741 419 HB3 LYS 50 3HB LYS 50 -6.191 13.017 -7.832 420 HG2 LYS 50 2HG LYS 50 -4.204 14.340 -7.193 421 HG3 LYS 50 3HG LYS 50 -4.828 13.405 -5.832 422 HD2 LYS 50 2HD LYS 50 -3.041 11.635 -6.455 423 HD3 LYS 50 3HD LYS 50 -2.329 12.882 -7.479 424 HE2 LYS 50 2HE LYS 50 -2.018 14.328 -5.514 425 HE3 LYS 50 3HE LYS 50 -2.798 13.122 -4.487 426 HZ1 LYS 50 3HZ LYS 50 -0.379 13.019 -4.361 427 HZ2 LYS 50 1HZ LYS 50 -0.286 12.687 -6.014 428 HZ3 LYS 50 2HZ LYS 50 -1.021 11.582 -4.966 429 H ASN 51 H ASN 51 -7.885 11.230 -6.461 430 HA ASN 51 HA ASN 51 -7.427 11.845 -3.721 431 HB2 ASN 51 2HB ASN 51 -9.941 10.562 -4.901 432 HB3 ASN 51 3HB ASN 51 -9.825 11.394 -3.355 433 HD21 ASN 51 1HD2 ASN 51 -9.896 11.778 -6.820 434 HD22 ASN 51 2HD2 ASN 51 -10.220 13.479 -6.821 435 H GLU 52 H GLU 52 -8.336 8.807 -5.346 436 HA GLU 52 HA GLU 52 -8.367 7.129 -3.111 437 HB2 GLU 52 2HB GLU 52 -8.086 6.686 -6.079 438 HB3 GLU 52 3HB GLU 52 -7.718 5.338 -5.017 439 HG2 GLU 52 2HG GLU 52 -9.994 5.131 -5.724 440 HG3 GLU 52 3HG GLU 52 -9.985 5.532 -4.015 441 H VAL 53 H VAL 53 -5.646 7.728 -5.407 442 HA VAL 53 HA VAL 53 -3.878 5.946 -4.069 443 HB VAL 53 HB VAL 53 -3.710 6.730 -6.497 444 HG11 VAL 53 1HG1 VAL 53 -2.352 8.698 -7.021 445 HG12 VAL 53 2HG1 VAL 53 -2.270 9.113 -5.309 446 HG13 VAL 53 3HG1 VAL 53 -3.818 9.147 -6.150 447 HG21 VAL 53 3HG2 VAL 53 -1.296 6.403 -6.604 448 HG22 VAL 53 1HG2 VAL 53 -2.003 5.325 -5.405 449 HG23 VAL 53 2HG2 VAL 53 -1.139 6.775 -4.888 450 H ASP 54 H ASP 54 -4.634 9.313 -3.527 451 HA ASP 54 HA ASP 54 -2.376 9.979 -1.875 452 HB2 ASP 54 2HB ASP 54 -3.643 11.743 -3.035 453 HB3 ASP 54 3HB ASP 54 -5.116 11.302 -2.179 454 H ARG 55 H ARG 55 -5.715 8.949 -1.309 455 HA ARG 55 HA ARG 55 -5.611 9.137 1.538 456 HB2 ARG 55 2HB ARG 55 -7.632 8.203 -0.463 457 HB3 ARG 55 3HB ARG 55 -7.781 7.516 1.145 458 HG2 ARG 55 2HG ARG 55 -9.218 9.479 0.891 459 HG3 ARG 55 3HG ARG 55 -7.982 9.768 2.116 460 HD2 ARG 55 2HD ARG 55 -6.701 11.145 0.566 461 HD3 ARG 55 3HD ARG 55 -7.794 10.744 -0.761 462 HE ARG 55 HE ARG 55 -8.246 12.619 1.414 463 HH11 ARG 55 1HH1 ARG 55 -9.706 10.867 -1.272 464 HH12 ARG 55 2HH1 ARG 55 -11.051 11.955 -1.396 465 HH21 ARG 55 1HH2 ARG 55 -9.998 14.021 1.228 466 HH22 ARG 55 2HH2 ARG 55 -11.213 13.740 0.023 467 H ILE 56 H ILE 56 -4.964 6.496 -0.744 468 HA ILE 56 HA ILE 56 -4.760 4.462 1.302 469 HB ILE 56 HB ILE 56 -3.676 4.446 -1.565 470 HG12 ILE 56 2HG1 ILE 56 -6.234 3.114 -0.538 471 HG13 ILE 56 3HG1 ILE 56 -6.213 4.686 -1.329 472 HG21 ILE 56 1HG2 ILE 56 -2.514 2.785 -0.180 473 HG22 ILE 56 2HG2 ILE 56 -3.594 1.971 -1.308 474 HG23 ILE 56 3HG2 ILE 56 -4.054 2.134 0.389 475 HD11 ILE 56 3HD1 ILE 56 -5.342 3.678 -3.361 476 HD12 ILE 56 1HD1 ILE 56 -6.849 2.916 -2.860 477 HD13 ILE 56 2HD1 ILE 56 -5.314 2.094 -2.581 478 H LEU 57 H LEU 57 -2.586 6.665 -0.384 479 HA LEU 57 HA LEU 57 -0.084 5.762 0.489 480 HB2 LEU 57 2HB LEU 57 -0.340 7.420 -1.297 481 HB3 LEU 57 3HB LEU 57 -1.023 8.576 -0.166 482 HG LEU 57 HG LEU 57 1.152 8.749 0.998 483 HD11 LEU 57 1HD1 LEU 57 2.154 6.772 -1.052 484 HD12 LEU 57 2HD1 LEU 57 2.071 6.579 0.708 485 HD13 LEU 57 3HD1 LEU 57 3.185 7.745 0.004 486 HD21 LEU 57 3HD2 LEU 57 1.353 9.231 -1.989 487 HD22 LEU 57 1HD2 LEU 57 2.402 9.944 -0.759 488 HD23 LEU 57 2HD2 LEU 57 0.686 10.336 -0.784 489 H GLU 58 H GLU 58 -2.331 8.098 1.977 490 HA GLU 58 HA GLU 58 -0.683 8.469 4.322 491 HB2 GLU 58 2HB GLU 58 -2.480 9.857 5.197 492 HB3 GLU 58 3HB GLU 58 -2.195 10.275 3.510 493 HG2 GLU 58 2HG GLU 58 -4.192 9.082 2.811 494 HG3 GLU 58 3HG GLU 58 -4.433 8.448 4.432 495 H GLU 59 H GLU 59 -3.261 6.290 3.338 496 HA GLU 59 HA GLU 59 -4.341 5.670 5.869 497 HB2 GLU 59 2HB GLU 59 -5.463 5.157 3.686 498 HB3 GLU 59 3HB GLU 59 -4.322 3.843 3.431 499 HG2 GLU 59 2HG GLU 59 -6.442 2.979 4.260 500 HG3 GLU 59 3HG GLU 59 -5.178 2.714 5.459 501 H VAL 60 H VAL 60 -1.895 3.946 3.945 502 HA VAL 60 HA VAL 60 -1.320 1.892 5.757 503 HB VAL 60 HB VAL 60 -0.466 1.756 3.524 504 HG11 VAL 60 1HG1 VAL 60 -0.155 4.121 2.987 505 HG12 VAL 60 2HG1 VAL 60 1.307 3.206 2.615 506 HG13 VAL 60 3HG1 VAL 60 1.239 4.208 4.068 507 HG21 VAL 60 3HG2 VAL 60 1.864 1.133 3.917 508 HG22 VAL 60 1HG2 VAL 60 0.849 0.612 5.258 509 HG23 VAL 60 2HG2 VAL 60 1.879 2.038 5.429 510 H ARG 61 H ARG 61 -0.162 5.196 5.616 511 HA ARG 61 HA ARG 61 1.762 5.031 7.723 512 HB2 ARG 61 2HB ARG 61 0.350 7.367 6.363 513 HB3 ARG 61 3HB ARG 61 1.656 7.572 7.521 514 HG2 ARG 61 2HG ARG 61 3.236 6.479 6.056 515 HG3 ARG 61 3HG ARG 61 1.951 5.999 4.942 516 HD2 ARG 61 2HD ARG 61 3.252 7.924 4.096 517 HD3 ARG 61 3HD ARG 61 1.554 8.337 4.343 518 HE ARG 61 HE ARG 61 2.889 9.055 6.670 519 HH11 ARG 61 1HH1 ARG 61 3.054 10.014 3.280 520 HH12 ARG 61 2HH1 ARG 61 3.577 11.627 3.639 521 HH21 ARG 61 1HH2 ARG 61 3.563 11.151 7.129 522 HH22 ARG 61 2HH2 ARG 61 3.872 12.278 5.844 523 H ARG 62 H ARG 62 -1.717 5.587 7.580 524 HA ARG 62 HA ARG 62 -2.098 6.545 10.268 525 HB2 ARG 62 2HB ARG 62 -4.099 5.146 8.416 526 HB3 ARG 62 3HB ARG 62 -4.514 5.981 9.906 527 HG2 ARG 62 2HG ARG 62 -3.368 7.281 7.427 528 HG3 ARG 62 3HG ARG 62 -5.066 7.272 7.879 529 HD2 ARG 62 2HD ARG 62 -4.415 8.512 9.984 530 HD3 ARG 62 3HD ARG 62 -2.784 8.658 9.316 531 HE ARG 62 HE ARG 62 -4.567 9.617 7.388 532 HH11 ARG 62 1HH1 ARG 62 -3.483 10.524 10.619 533 HH12 ARG 62 2HH1 ARG 62 -3.786 12.213 10.374 534 HH21 ARG 62 1HH2 ARG 62 -5.004 11.816 7.094 535 HH22 ARG 62 2HH2 ARG 62 -4.653 12.949 8.363 536 H LYS 63 H LYS 63 -2.119 3.352 8.692 537 HA LYS 63 HA LYS 63 -3.188 1.934 10.967 538 HB2 LYS 63 2HB LYS 63 -1.816 0.815 8.476 539 HB3 LYS 63 3HB LYS 63 -2.776 -0.109 9.615 540 HG2 LYS 63 2HG LYS 63 -3.885 2.090 7.850 541 HG3 LYS 63 3HG LYS 63 -3.881 0.387 7.420 542 HD2 LYS 63 2HD LYS 63 -6.063 0.752 8.203 543 HD3 LYS 63 3HD LYS 63 -5.260 0.023 9.589 544 HE2 LYS 63 2HE LYS 63 -5.041 2.218 10.645 545 HE3 LYS 63 3HE LYS 63 -5.725 3.003 9.220 546 HZ1 LYS 63 3HZ LYS 63 -7.342 2.698 11.026 547 HZ2 LYS 63 1HZ LYS 63 -7.161 1.020 10.905 548 HZ3 LYS 63 2HZ LYS 63 -7.806 1.898 9.610 549 H VAL 64 H VAL 64 -0.007 2.268 9.419 550 HA VAL 64 HA VAL 64 1.369 1.480 11.873 551 HB VAL 64 HB VAL 64 2.978 -0.007 10.416 552 HG11 VAL 64 1HG1 VAL 64 1.601 -0.902 12.242 553 HG12 VAL 64 2HG1 VAL 64 1.646 -2.034 10.896 554 HG13 VAL 64 3HG1 VAL 64 0.212 -1.043 11.163 555 HG21 VAL 64 3HG2 VAL 64 1.914 -1.190 8.520 556 HG22 VAL 64 1HG2 VAL 64 2.002 0.542 8.201 557 HG23 VAL 64 2HG2 VAL 64 0.470 -0.187 8.682 558 HA PRO 65 HA PRO 65 3.725 5.102 10.273 559 HB2 PRO 65 2HB PRO 65 5.073 5.523 12.658 560 HB3 PRO 65 3HB PRO 65 3.436 6.129 12.339 561 HG2 PRO 65 2HG PRO 65 4.263 3.654 13.828 562 HG3 PRO 65 3HG PRO 65 3.054 4.881 14.276 563 HD2 PRO 65 2HD PRO 65 2.316 2.532 13.191 564 HD3 PRO 65 3HD PRO 65 1.455 4.038 12.783 565 H ASN 66 H ASN 66 4.729 2.059 11.586 566 HA ASN 66 HA ASN 66 7.559 2.264 11.270 567 HB2 ASN 66 2HB ASN 66 5.896 -0.280 11.240 568 HB3 ASN 66 3HB ASN 66 7.600 -0.136 11.643 569 HD21 ASN 66 1HD2 ASN 66 5.310 -1.263 13.127 570 HD22 ASN 66 2HD2 ASN 66 5.306 -0.448 14.656 571 H ALA 67 H ALA 67 4.959 1.693 9.078 572 HA ALA 67 HA ALA 67 6.277 0.227 7.038 573 HB1 ALA 67 3HB ALA 67 3.827 0.359 7.216 574 HB2 ALA 67 1HB ALA 67 4.365 0.937 5.639 575 HB3 ALA 67 2HB ALA 67 3.876 2.091 6.883 576 H ARG 68 H ARG 68 8.105 1.012 6.018 577 HA ARG 68 HA ARG 68 8.461 3.841 5.445 578 HB2 ARG 68 2HB ARG 68 10.469 2.467 5.878 579 HB3 ARG 68 3HB ARG 68 10.077 1.414 4.520 580 HG2 ARG 68 2HG ARG 68 11.840 2.958 3.853 581 HG3 ARG 68 3HG ARG 68 10.367 3.329 2.962 582 HD2 ARG 68 2HD ARG 68 10.005 5.087 4.956 583 HD3 ARG 68 3HD ARG 68 11.756 4.943 5.101 584 HE ARG 68 HE ARG 68 10.246 5.990 2.793 585 HH11 ARG 68 1HH1 ARG 68 13.379 5.554 4.333 586 HH12 ARG 68 2HH1 ARG 68 14.183 6.643 3.251 587 HH21 ARG 68 1HH2 ARG 68 11.316 7.393 1.392 588 HH22 ARG 68 2HH2 ARG 68 13.017 7.678 1.589 589 H VAL 69 H VAL 69 7.084 4.651 3.987 590 HA VAL 69 HA VAL 69 6.130 3.019 1.720 591 HB VAL 69 HB VAL 69 5.006 5.686 2.724 592 HG11 VAL 69 1HG1 VAL 69 3.798 3.533 0.948 593 HG12 VAL 69 2HG1 VAL 69 4.393 5.106 0.413 594 HG13 VAL 69 3HG1 VAL 69 2.989 5.010 1.477 595 HG21 VAL 69 3HG2 VAL 69 4.075 2.878 3.459 596 HG22 VAL 69 1HG2 VAL 69 3.285 4.389 3.923 597 HG23 VAL 69 2HG2 VAL 69 4.893 4.008 4.539 598 H ARG 70 H ARG 70 6.758 3.497 -0.298 599 HA ARG 70 HA ARG 70 7.945 6.121 -0.963 600 HB2 ARG 70 2HB ARG 70 9.780 4.506 -0.730 601 HB3 ARG 70 3HB ARG 70 8.967 3.374 -1.808 602 HG2 ARG 70 2HG ARG 70 9.303 4.808 -3.710 603 HG3 ARG 70 3HG ARG 70 9.853 6.140 -2.688 604 HD2 ARG 70 2HD ARG 70 11.736 5.097 -3.805 605 HD3 ARG 70 3HD ARG 70 11.855 4.829 -2.069 606 HE ARG 70 HE ARG 70 10.580 2.599 -3.206 607 HH11 ARG 70 1HH1 ARG 70 13.774 4.105 -3.261 608 HH12 ARG 70 2HH1 ARG 70 14.596 2.607 -3.567 609 HH21 ARG 70 1HH2 ARG 70 11.696 0.654 -3.640 610 HH22 ARG 70 2HH2 ARG 70 13.427 0.663 -3.783 611 H GLU 71 H GLU 71 6.347 7.011 -2.139 612 HA GLU 71 HA GLU 71 4.860 5.429 -4.136 613 HB2 GLU 71 2HB GLU 71 3.720 6.951 -2.420 614 HB3 GLU 71 3HB GLU 71 4.386 8.324 -3.279 615 HG2 GLU 71 2HG GLU 71 2.622 6.303 -4.678 616 HG3 GLU 71 3HG GLU 71 1.927 7.609 -3.728 617 H THR 72 H THR 72 4.920 6.011 -6.353 618 HA THR 72 HA THR 72 7.285 7.526 -7.242 619 HB THR 72 HB THR 72 7.951 5.518 -8.677 620 HG1 THR 72 HG1 THR 72 5.707 4.498 -7.577 621 HG21 THR 72 3HG2 THR 72 8.110 5.065 -5.667 622 HG22 THR 72 1HG2 THR 72 9.224 6.046 -6.622 623 HG23 THR 72 2HG2 THR 72 9.137 4.304 -6.885 624 H GLU 73 H GLU 73 6.978 8.516 -9.163 625 HA GLU 73 HA GLU 73 4.387 8.492 -10.435 626 HB2 GLU 73 2HB GLU 73 6.934 9.907 -11.355 627 HB3 GLU 73 3HB GLU 73 5.302 10.220 -11.931 628 HG2 GLU 73 2HG GLU 73 5.688 11.999 -10.477 629 HG3 GLU 73 3HG GLU 73 4.772 10.872 -9.481 630 H THR 74 H THR 74 3.818 7.057 -11.914 631 HA THR 74 HA THR 74 5.817 5.752 -13.677 632 HB THR 74 HB THR 74 3.019 4.729 -13.001 633 HG1 THR 74 HG1 THR 74 4.466 4.894 -11.126 634 HG21 THR 74 3HG2 THR 74 4.054 3.758 -15.042 635 HG22 THR 74 1HG2 THR 74 3.870 2.556 -13.765 636 HG23 THR 74 2HG2 THR 74 5.453 3.262 -14.090 637 H GLY 75 H GLY 75 5.427 5.811 -15.914 638 HA2 GLY 75 2HA GLY 75 3.150 6.473 -17.334 639 HA3 GLY 75 3HA GLY 75 3.880 8.021 -16.909 640 H SER 76 H SER 76 4.827 4.832 -18.202 641 HA SER 76 HA SER 76 7.037 5.946 -19.704 642 HB2 SER 76 2HB SER 76 5.935 3.108 -19.673 643 HB3 SER 76 3HB SER 76 7.468 3.616 -20.388 644 HG SER 76 HG SER 76 7.855 4.475 -18.137 645 H LEU 77 H LEU 77 5.914 7.411 -20.999 646 HA LEU 77 HA LEU 77 3.945 6.583 -22.970 647 HB2 LEU 77 2HB LEU 77 4.107 9.029 -23.680 648 HB3 LEU 77 3HB LEU 77 3.557 8.725 -22.049 649 HG LEU 77 HG LEU 77 5.983 9.256 -21.287 650 HD11 LEU 77 1HD1 LEU 77 7.138 9.129 -23.431 651 HD12 LEU 77 2HD1 LEU 77 7.317 10.734 -22.727 652 HD13 LEU 77 3HD1 LEU 77 6.183 10.476 -24.056 653 HD21 LEU 77 3HD2 LEU 77 4.301 11.501 -22.449 654 HD22 LEU 77 1HD2 LEU 77 5.577 11.684 -21.240 655 HD23 LEU 77 2HD2 LEU 77 4.120 10.776 -20.850 656 H GLU 78 H GLU 78 7.257 6.422 -22.812 657 HA GLU 78 HA GLU 78 8.445 7.202 -25.104 658 HB2 GLU 78 2HB GLU 78 9.951 5.112 -24.821 659 HB3 GLU 78 3HB GLU 78 9.827 6.197 -23.441 660 HG2 GLU 78 2HG GLU 78 8.316 4.702 -22.292 661 HG3 GLU 78 3HG GLU 78 8.144 3.691 -23.723 662 H HIS 79 H HIS 79 7.827 7.017 -27.167 663 HA HIS 79 HA HIS 79 6.186 4.933 -28.217 664 HB2 HIS 79 2HB HIS 79 6.467 6.014 -30.408 665 HB3 HIS 79 3HB HIS 79 6.088 7.204 -29.171 666 HD1 HIS 79 HD1 HIS 79 8.418 6.528 -31.873 667 HD2 HIS 79 HD2 HIS 79 8.467 8.794 -28.395 668 HE1 HIS 79 HE1 HIS 79 10.294 8.160 -32.169 669 HE2 HIS 79 HE2 HIS 79 10.379 9.437 -30.009 670 H HIS 80 H HIS 80 6.758 3.013 -29.074 671 HA HIS 80 HA HIS 80 9.601 2.266 -29.012 672 HB2 HIS 80 2HB HIS 80 7.079 0.565 -29.207 673 HB3 HIS 80 3HB HIS 80 8.719 -0.085 -29.166 674 HD1 HIS 80 HD1 HIS 80 6.352 -0.478 -26.995 675 HD2 HIS 80 HD2 HIS 80 9.726 1.924 -26.630 676 HE1 HIS 80 HE1 HIS 80 6.737 -0.210 -24.530 677 HE2 HIS 80 HE2 HIS 80 8.654 1.395 -24.344 678 H HIS 81 H HIS 81 10.645 1.260 -30.708 679 HA HIS 81 HA HIS 81 9.825 2.071 -33.374 680 HB2 HIS 81 2HB HIS 81 12.307 0.563 -32.432 681 HB3 HIS 81 3HB HIS 81 12.049 1.193 -34.056 682 HD1 HIS 81 HD1 HIS 81 13.380 2.139 -30.785 683 HD2 HIS 81 HD2 HIS 81 11.930 4.133 -34.134 684 HE1 HIS 81 HE1 HIS 81 14.227 4.487 -30.588 685 HE2 HIS 81 HE2 HIS 81 13.274 5.698 -32.577 686 H HIS 82 H HIS 82 8.213 0.829 -34.156 687 HA HIS 82 HA HIS 82 8.178 -2.080 -33.895 688 HB2 HIS 82 2HB HIS 82 6.261 -0.065 -35.131 689 HB3 HIS 82 3HB HIS 82 6.037 -1.799 -35.319 690 HD1 HIS 82 HD1 HIS 82 4.323 -2.619 -33.713 691 HD2 HIS 82 HD2 HIS 82 6.607 0.433 -32.062 692 HE1 HIS 82 HE1 HIS 82 3.445 -2.290 -31.382 693 HE2 HIS 82 HE2 HIS 82 4.990 -0.605 -30.355 694 H HIS 83 H HIS 83 9.154 -3.362 -35.303 695 HA HIS 83 HA HIS 83 10.570 -2.241 -37.589 696 HB2 HIS 83 2HB HIS 83 10.664 -5.018 -36.317 697 HB3 HIS 83 3HB HIS 83 11.687 -4.503 -37.655 698 HD1 HIS 83 HD1 HIS 83 13.933 -3.769 -36.942 699 HD2 HIS 83 HD2 HIS 83 11.119 -3.180 -33.937 700 HE1 HIS 83 HE1 HIS 83 15.219 -2.922 -34.963 701 HE2 HIS 83 HE2 HIS 83 13.482 -2.430 -33.224 702 H HIS 84 H HIS 84 10.726 -3.529 -39.614 703 HA HIS 84 HA HIS 84 8.456 -5.175 -40.395 704 HB2 HIS 84 2HB HIS 84 7.599 -2.885 -40.808 705 HB3 HIS 84 3HB HIS 84 9.022 -2.501 -41.770 706 HD1 HIS 84 HD1 HIS 84 6.067 -4.911 -41.839 707 HD2 HIS 84 HD2 HIS 84 8.698 -3.030 -44.456 708 HE1 HIS 84 HE1 HIS 84 5.236 -5.457 -44.147 709 HE2 HIS 84 HE2 HIS 84 6.896 -4.400 -45.699 Start of MODEL 18 1 H1 MET 1 1H MET 1 -3.520 12.167 -15.549 2 H2 MET 1 2H MET 1 -3.151 11.355 -14.115 3 H3 MET 1 3H MET 1 -3.155 10.517 -15.577 4 HA MET 1 HA MET 1 -1.315 11.783 -16.378 5 HB2 MET 1 2HB MET 1 -1.542 13.167 -13.676 6 HB3 MET 1 3HB MET 1 -0.118 13.294 -14.701 7 HG2 MET 1 2HG MET 1 -1.559 14.259 -16.498 8 HG3 MET 1 3HG MET 1 -2.912 14.248 -15.359 9 HE1 MET 1 3HE MET 1 -3.109 16.891 -16.045 10 HE2 MET 1 1HE MET 1 -1.612 16.865 -16.980 11 HE3 MET 1 2HE MET 1 -1.833 18.062 -15.705 12 H GLY 2 H GLY 2 -1.043 9.461 -16.276 13 HA2 GLY 2 2HA GLY 2 0.539 7.838 -16.008 14 HA3 GLY 2 3HA GLY 2 1.345 8.838 -14.817 15 H GLN 3 H GLN 3 1.556 6.459 -14.135 16 HA GLN 3 HA GLN 3 -0.682 5.380 -12.581 17 HB2 GLN 3 2HB GLN 3 0.602 3.796 -13.926 18 HB3 GLN 3 3HB GLN 3 2.113 4.352 -13.226 19 HG2 GLN 3 2HG GLN 3 1.263 3.473 -10.985 20 HG3 GLN 3 3HG GLN 3 -0.048 2.710 -11.880 21 HE21 GLN 3 1HE2 GLN 3 3.407 2.710 -11.288 22 HE22 GLN 3 2HE2 GLN 3 3.716 1.151 -11.965 23 H TRP 4 H TRP 4 -0.932 6.062 -10.532 24 HA TRP 4 HA TRP 4 1.359 6.929 -8.914 25 HB2 TRP 4 2HB TRP 4 -1.650 6.988 -8.415 26 HB3 TRP 4 3HB TRP 4 -0.453 7.483 -7.215 27 HD1 TRP 4 HD1 TRP 4 1.335 9.474 -8.228 28 HE1 TRP 4 HE1 TRP 4 0.742 11.587 -9.549 29 HE3 TRP 4 HE3 TRP 4 -3.274 8.089 -9.943 30 HZ2 TRP 4 HZ2 TRP 4 -1.387 12.564 -11.098 31 HZ3 TRP 4 HZ3 TRP 4 -4.527 9.682 -11.342 32 HH2 TRP 4 HH2 TRP 4 -3.604 11.876 -11.909 33 H GLN 5 H GLN 5 2.377 5.562 -7.630 34 HA GLN 5 HA GLN 5 1.239 2.887 -7.063 35 HB2 GLN 5 2HB GLN 5 2.572 2.699 -9.082 36 HB3 GLN 5 3HB GLN 5 3.910 3.582 -8.357 37 HG2 GLN 5 2HG GLN 5 4.330 1.710 -6.817 38 HG3 GLN 5 3HG GLN 5 2.961 0.826 -7.500 39 HE21 GLN 5 1HE2 GLN 5 6.160 2.115 -8.198 40 HE22 GLN 5 2HE2 GLN 5 6.497 1.085 -9.545 41 H ILE 6 H ILE 6 1.222 2.682 -4.915 42 HA ILE 6 HA ILE 6 3.245 3.918 -3.160 43 HB ILE 6 HB ILE 6 0.763 2.304 -2.345 44 HG12 ILE 6 2HG1 ILE 6 0.904 5.346 -2.601 45 HG13 ILE 6 3HG1 ILE 6 0.131 4.293 -3.777 46 HG21 ILE 6 1HG2 ILE 6 2.431 4.320 -0.776 47 HG22 ILE 6 2HG2 ILE 6 2.407 2.569 -0.532 48 HG23 ILE 6 3HG2 ILE 6 0.965 3.532 -0.184 49 HD11 ILE 6 3HD1 ILE 6 -1.457 3.547 -2.076 50 HD12 ILE 6 1HD1 ILE 6 -1.497 5.293 -2.317 51 HD13 ILE 6 2HD1 ILE 6 -0.694 4.624 -0.897 52 H LYS 7 H LYS 7 4.877 2.658 -2.335 53 HA LYS 7 HA LYS 7 4.709 -0.301 -2.488 54 HB2 LYS 7 2HB LYS 7 7.160 1.489 -2.768 55 HB3 LYS 7 3HB LYS 7 7.213 -0.266 -2.644 56 HG2 LYS 7 2HG LYS 7 5.920 -0.420 -4.779 57 HG3 LYS 7 3HG LYS 7 6.004 1.344 -4.912 58 HD2 LYS 7 2HD LYS 7 8.473 1.238 -4.924 59 HD3 LYS 7 3HD LYS 7 8.405 -0.520 -4.763 60 HE2 LYS 7 2HE LYS 7 7.266 -0.657 -6.947 61 HE3 LYS 7 3HE LYS 7 7.383 1.100 -7.107 62 HZ1 LYS 7 3HZ LYS 7 9.657 -0.796 -6.903 63 HZ2 LYS 7 1HZ LYS 7 9.801 0.888 -7.005 64 HZ3 LYS 7 2HZ LYS 7 9.151 0.010 -8.296 65 H ILE 8 H ILE 8 4.276 -0.925 -0.477 66 HA ILE 8 HA ILE 8 5.480 0.429 1.861 67 HB ILE 8 HB ILE 8 3.410 -1.837 1.822 68 HG12 ILE 8 2HG1 ILE 8 2.703 1.131 2.005 69 HG13 ILE 8 3HG1 ILE 8 2.657 0.237 0.490 70 HG21 ILE 8 1HG2 ILE 8 4.504 -1.484 4.000 71 HG22 ILE 8 2HG2 ILE 8 2.805 -1.020 4.080 72 HG23 ILE 8 3HG2 ILE 8 4.052 0.223 3.971 73 HD11 ILE 8 3HD1 ILE 8 0.456 0.433 1.473 74 HD12 ILE 8 1HD1 ILE 8 1.008 -0.376 2.940 75 HD13 ILE 8 2HD1 ILE 8 0.965 -1.253 1.406 76 H TYR 9 H TYR 9 7.595 -0.412 2.042 77 HA TYR 9 HA TYR 9 8.099 -3.300 1.797 78 HB2 TYR 9 2HB TYR 9 9.974 -0.918 2.215 79 HB3 TYR 9 3HB TYR 9 10.523 -2.588 2.223 80 HD1 TYR 9 HD1 TYR 9 9.143 0.115 0.063 81 HD2 TYR 9 HD2 TYR 9 10.823 -3.819 0.146 82 HE1 TYR 9 HE1 TYR 9 9.467 0.197 -2.375 83 HE2 TYR 9 HE2 TYR 9 11.140 -3.733 -2.290 84 HH TYR 9 HH TYR 9 10.194 -2.550 -4.232 85 H SER 10 H SER 10 7.855 -4.533 3.567 86 HA SER 10 HA SER 10 8.745 -3.603 6.211 87 HB2 SER 10 2HB SER 10 6.242 -3.232 6.036 88 HB3 SER 10 3HB SER 10 6.044 -4.960 5.763 89 HG SER 10 HG SER 10 6.878 -3.609 8.104 90 H GLU 11 H GLU 11 8.813 -5.467 7.753 91 HA GLU 11 HA GLU 11 9.419 -8.078 6.469 92 HB2 GLU 11 2HB GLU 11 10.698 -8.567 8.559 93 HB3 GLU 11 3HB GLU 11 11.312 -7.160 7.702 94 HG2 GLU 11 2HG GLU 11 9.984 -5.717 9.319 95 HG3 GLU 11 3HG GLU 11 9.648 -7.186 10.230 96 H ASN 12 H ASN 12 7.005 -6.456 8.055 97 HA ASN 12 HA ASN 12 6.035 -8.727 9.684 98 HB2 ASN 12 2HB ASN 12 5.252 -5.780 9.805 99 HB3 ASN 12 3HB ASN 12 4.724 -7.039 10.915 100 HD21 ASN 12 1HD2 ASN 12 6.159 -4.495 11.390 101 HD22 ASN 12 2HD2 ASN 12 7.603 -4.926 12.233 102 H GLU 13 H GLU 13 4.231 -9.738 9.058 103 HA GLU 13 HA GLU 13 2.680 -8.976 6.732 104 HB2 GLU 13 2HB GLU 13 2.132 -11.233 8.721 105 HB3 GLU 13 3HB GLU 13 1.363 -11.013 7.153 106 HG2 GLU 13 2HG GLU 13 2.949 -12.777 6.923 107 HG3 GLU 13 3HG GLU 13 3.605 -11.378 6.074 108 H ARG 14 H ARG 14 2.422 -8.807 10.206 109 HA ARG 14 HA ARG 14 -0.264 -8.327 10.683 110 HB2 ARG 14 2HB ARG 14 1.444 -8.643 12.448 111 HB3 ARG 14 3HB ARG 14 2.187 -7.107 12.029 112 HG2 ARG 14 2HG ARG 14 0.920 -6.833 14.065 113 HG3 ARG 14 3HG ARG 14 0.113 -5.935 12.780 114 HD2 ARG 14 2HD ARG 14 -1.495 -7.126 14.208 115 HD3 ARG 14 3HD ARG 14 -1.547 -7.735 12.549 116 HE ARG 14 HE ARG 14 0.224 -9.387 13.841 117 HH11 ARG 14 1HH1 ARG 14 -3.140 -8.531 14.457 118 HH12 ARG 14 2HH1 ARG 14 -3.506 -10.065 15.185 119 HH21 ARG 14 1HH2 ARG 14 -0.307 -11.406 14.701 120 HH22 ARG 14 2HH2 ARG 14 -1.909 -11.691 15.322 121 H GLU 15 H GLU 15 2.294 -5.986 9.826 122 HA GLU 15 HA GLU 15 0.755 -3.622 9.886 123 HB2 GLU 15 2HB GLU 15 3.174 -4.158 8.115 124 HB3 GLU 15 3HB GLU 15 2.570 -2.588 8.617 125 HG2 GLU 15 2HG GLU 15 3.980 -4.664 10.284 126 HG3 GLU 15 3HG GLU 15 4.518 -3.033 9.902 127 H PHE 16 H PHE 16 1.500 -5.910 7.316 128 HA PHE 16 HA PHE 16 0.275 -4.542 5.160 129 HB2 PHE 16 2HB PHE 16 1.322 -7.344 5.591 130 HB3 PHE 16 3HB PHE 16 0.322 -7.026 4.175 131 HD1 PHE 16 HD2 PHE 16 2.689 -4.519 5.620 132 HD2 PHE 16 HD1 PHE 16 2.004 -7.420 2.549 133 HE1 PHE 16 HE2 PHE 16 4.622 -3.668 4.365 134 HE2 PHE 16 HE1 PHE 16 3.931 -6.552 1.311 135 HZ PHE 16 HZ PHE 16 5.235 -4.686 2.218 136 H ARG 17 H ARG 17 -0.947 -6.918 7.486 137 HA ARG 17 HA ARG 17 -3.227 -7.716 6.024 138 HB2 ARG 17 2HB ARG 17 -2.608 -7.868 8.998 139 HB3 ARG 17 3HB ARG 17 -4.132 -8.444 8.332 140 HG2 ARG 17 2HG ARG 17 -2.763 -9.971 6.810 141 HG3 ARG 17 3HG ARG 17 -1.351 -9.521 7.768 142 HD2 ARG 17 2HD ARG 17 -2.479 -10.376 9.799 143 HD3 ARG 17 3HD ARG 17 -3.868 -10.858 8.828 144 HE ARG 17 HE ARG 17 -1.150 -12.023 8.605 145 HH11 ARG 17 1HH1 ARG 17 -4.641 -12.410 8.357 146 HH12 ARG 17 2HH1 ARG 17 -4.544 -14.104 8.004 147 HH21 ARG 17 1HH2 ARG 17 -1.049 -14.247 8.183 148 HH22 ARG 17 2HH2 ARG 17 -2.512 -15.142 7.905 149 H GLU 18 H GLU 18 -2.692 -5.040 8.302 150 HA GLU 18 HA GLU 18 -5.281 -4.041 8.554 151 HB2 GLU 18 2HB GLU 18 -2.623 -2.564 8.338 152 HB3 GLU 18 3HB GLU 18 -4.134 -1.737 8.685 153 HG2 GLU 18 2HG GLU 18 -2.910 -3.920 10.382 154 HG3 GLU 18 3HG GLU 18 -2.804 -2.194 10.717 155 H LEU 19 H LEU 19 -2.863 -3.300 6.041 156 HA LEU 19 HA LEU 19 -4.541 -1.598 4.525 157 HB2 LEU 19 2HB LEU 19 -1.880 -2.914 3.918 158 HB3 LEU 19 3HB LEU 19 -2.735 -1.998 2.690 159 HG LEU 19 HG LEU 19 -1.086 -0.549 3.676 160 HD11 LEU 19 1HD1 LEU 19 -2.452 1.338 4.455 161 HD12 LEU 19 2HD1 LEU 19 -3.833 0.270 4.697 162 HD13 LEU 19 3HD1 LEU 19 -3.194 0.540 3.072 163 HD21 LEU 19 3HD2 LEU 19 -0.999 0.031 6.067 164 HD22 LEU 19 1HD2 LEU 19 -0.707 -1.688 5.814 165 HD23 LEU 19 2HD2 LEU 19 -2.272 -1.139 6.417 166 H ILE 20 H ILE 20 -3.756 -5.055 4.196 167 HA ILE 20 HA ILE 20 -4.975 -5.496 1.692 168 HB ILE 20 HB ILE 20 -4.603 -7.473 4.000 169 HG12 ILE 20 2HG1 ILE 20 -2.451 -6.566 3.206 170 HG13 ILE 20 3HG1 ILE 20 -2.597 -8.255 2.750 171 HG21 ILE 20 1HG2 ILE 20 -4.825 -9.279 2.315 172 HG22 ILE 20 2HG2 ILE 20 -5.230 -8.085 1.082 173 HG23 ILE 20 3HG2 ILE 20 -6.312 -8.333 2.452 174 HD11 ILE 20 3HD1 ILE 20 -3.180 -7.547 0.446 175 HD12 ILE 20 1HD1 ILE 20 -1.589 -6.996 0.970 176 HD13 ILE 20 2HD1 ILE 20 -2.938 -5.867 0.934 177 H GLU 21 H GLU 21 -6.254 -5.647 5.020 178 HA GLU 21 HA GLU 21 -8.903 -6.393 4.369 179 HB2 GLU 21 2HB GLU 21 -7.817 -4.879 6.771 180 HB3 GLU 21 3HB GLU 21 -9.472 -5.456 6.656 181 HG2 GLU 21 2HG GLU 21 -6.941 -7.096 6.839 182 HG3 GLU 21 3HG GLU 21 -8.265 -7.015 7.996 183 H ARG 22 H ARG 22 -7.290 -3.222 4.470 184 HA ARG 22 HA ARG 22 -9.627 -1.635 4.099 185 HB2 ARG 22 2HB ARG 22 -6.846 -0.951 3.046 186 HB3 ARG 22 3HB ARG 22 -8.163 0.175 3.328 187 HG2 ARG 22 2HG ARG 22 -6.472 -1.260 5.380 188 HG3 ARG 22 3HG ARG 22 -6.567 0.470 5.081 189 HD2 ARG 22 2HD ARG 22 -8.947 0.408 5.897 190 HD3 ARG 22 3HD ARG 22 -8.712 -1.287 6.335 191 HE ARG 22 HE ARG 22 -7.497 1.076 7.605 192 HH11 ARG 22 1HH1 ARG 22 -7.844 -2.428 7.613 193 HH12 ARG 22 2HH1 ARG 22 -7.215 -2.612 9.217 194 HH21 ARG 22 1HH2 ARG 22 -6.694 0.804 9.722 195 HH22 ARG 22 2HH2 ARG 22 -6.558 -0.782 10.409 196 H LEU 23 H LEU 23 -7.256 -2.922 1.748 197 HA LEU 23 HA LEU 23 -8.206 -1.487 -0.483 198 HB2 LEU 23 2HB LEU 23 -6.475 -3.995 -0.467 199 HB3 LEU 23 3HB LEU 23 -6.612 -2.847 -1.792 200 HG LEU 23 HG LEU 23 -5.466 -2.188 0.941 201 HD11 LEU 23 1HD1 LEU 23 -3.267 -2.142 -0.093 202 HD12 LEU 23 2HD1 LEU 23 -3.960 -2.655 -1.632 203 HD13 LEU 23 3HD1 LEU 23 -4.002 -3.738 -0.240 204 HD21 LEU 23 3HD2 LEU 23 -6.467 -0.236 -0.133 205 HD22 LEU 23 1HD2 LEU 23 -5.467 -0.505 -1.561 206 HD23 LEU 23 2HD2 LEU 23 -4.717 -0.095 -0.020 207 H GLU 24 H GLU 24 -8.925 -4.718 0.658 208 HA GLU 24 HA GLU 24 -10.302 -5.657 -1.677 209 HB2 GLU 24 2HB GLU 24 -10.376 -6.635 1.208 210 HB3 GLU 24 3HB GLU 24 -11.023 -7.515 -0.177 211 HG2 GLU 24 2HG GLU 24 -8.773 -7.643 -1.172 212 HG3 GLU 24 3HG GLU 24 -8.110 -6.746 0.191 213 H GLU 25 H GLU 25 -11.228 -3.779 1.108 214 HA GLU 25 HA GLU 25 -14.094 -3.879 0.465 215 HB2 GLU 25 2HB GLU 25 -12.661 -2.353 2.686 216 HB3 GLU 25 3HB GLU 25 -14.394 -2.609 2.538 217 HG2 GLU 25 2HG GLU 25 -12.331 -4.762 3.035 218 HG3 GLU 25 3HG GLU 25 -13.368 -4.042 4.258 219 H GLU 26 H GLU 26 -11.318 -1.927 -0.237 220 HA GLU 26 HA GLU 26 -12.674 0.602 -0.380 221 HB2 GLU 26 2HB GLU 26 -9.906 -0.232 -1.312 222 HB3 GLU 26 3HB GLU 26 -10.528 1.399 -1.547 223 HG2 GLU 26 2HG GLU 26 -9.941 0.002 1.070 224 HG3 GLU 26 3HG GLU 26 -9.158 1.430 0.409 225 H ARG 27 H ARG 27 -13.305 1.770 -2.080 226 HA ARG 27 HA ARG 27 -14.442 0.198 -4.244 227 HB2 ARG 27 2HB ARG 27 -15.039 3.152 -3.931 228 HB3 ARG 27 3HB ARG 27 -16.116 1.849 -4.389 229 HG2 ARG 27 2HG ARG 27 -15.207 2.597 -1.602 230 HG3 ARG 27 3HG ARG 27 -16.824 2.762 -2.281 231 HD2 ARG 27 2HD ARG 27 -15.378 0.198 -1.571 232 HD3 ARG 27 3HD ARG 27 -16.783 0.893 -0.762 233 HE ARG 27 HE ARG 27 -17.803 0.525 -3.162 234 HH11 ARG 27 1HH1 ARG 27 -15.801 -1.667 -1.286 235 HH12 ARG 27 2HH1 ARG 27 -16.494 -3.100 -1.982 236 HH21 ARG 27 1HH2 ARG 27 -18.698 -1.362 -4.095 237 HH22 ARG 27 2HH2 ARG 27 -18.132 -2.917 -3.572 238 HA PRO 28 HA PRO 28 -15.262 0.331 -6.105 239 HB2 PRO 28 2HB PRO 28 -15.449 0.422 -8.775 240 HB3 PRO 28 3HB PRO 28 -15.820 1.864 -7.808 241 HG2 PRO 28 2HG PRO 28 -13.390 1.275 -9.440 242 HG3 PRO 28 3HG PRO 28 -14.221 2.818 -9.162 243 HD2 PRO 28 2HD PRO 28 -11.909 1.866 -7.777 244 HD3 PRO 28 3HD PRO 28 -12.883 3.298 -7.368 245 H SER 29 H SER 29 -12.016 -0.085 -6.740 246 HA SER 29 HA SER 29 -11.753 -2.789 -6.458 247 HB2 SER 29 2HB SER 29 -11.109 -3.498 -8.839 248 HB3 SER 29 3HB SER 29 -12.836 -3.259 -8.584 249 HG SER 29 HG SER 29 -11.303 -1.092 -9.508 250 H VAL 30 H VAL 30 -9.956 -2.111 -5.269 251 HA VAL 30 HA VAL 30 -7.923 -0.409 -6.505 252 HB VAL 30 HB VAL 30 -7.976 -1.655 -3.713 253 HG11 VAL 30 1HG1 VAL 30 -6.007 0.339 -4.913 254 HG12 VAL 30 2HG1 VAL 30 -5.655 -1.311 -4.395 255 HG13 VAL 30 3HG1 VAL 30 -6.093 -0.089 -3.206 256 HG21 VAL 30 3HG2 VAL 30 -9.723 0.041 -4.007 257 HG22 VAL 30 1HG2 VAL 30 -8.534 1.199 -4.612 258 HG23 VAL 30 2HG2 VAL 30 -8.459 0.648 -2.937 259 H GLN 31 H GLN 31 -6.278 -1.181 -7.598 260 HA GLN 31 HA GLN 31 -5.596 -3.989 -7.726 261 HB2 GLN 31 2HB GLN 31 -4.256 -1.550 -8.969 262 HB3 GLN 31 3HB GLN 31 -3.897 -3.226 -9.369 263 HG2 GLN 31 2HG GLN 31 -6.125 -3.531 -10.305 264 HG3 GLN 31 3HG GLN 31 -6.588 -1.901 -9.802 265 HE21 GLN 31 1HE2 GLN 31 -5.724 -0.110 -10.927 266 HE22 GLN 31 2HE2 GLN 31 -4.997 -0.273 -12.485 267 H TYR 32 H TYR 32 -4.274 -4.936 -6.307 268 HA TYR 32 HA TYR 32 -1.911 -3.538 -5.246 269 HB2 TYR 32 2HB TYR 32 -2.307 -4.384 -2.977 270 HB3 TYR 32 3HB TYR 32 -3.664 -3.393 -3.482 271 HD1 TYR 32 HD1 TYR 32 -5.846 -4.547 -4.161 272 HD2 TYR 32 HD2 TYR 32 -2.646 -6.683 -2.294 273 HE1 TYR 32 HE1 TYR 32 -7.393 -6.357 -3.576 274 HE2 TYR 32 HE2 TYR 32 -4.200 -8.502 -1.716 275 HH TYR 32 HH TYR 32 -6.612 -8.853 -1.411 276 H THR 33 H THR 33 -0.154 -4.932 -4.816 277 HA THR 33 HA THR 33 -0.484 -7.830 -5.151 278 HB THR 33 HB THR 33 1.602 -6.263 -6.769 279 HG1 THR 33 HG1 THR 33 -0.890 -7.428 -7.506 280 HG21 THR 33 3HG2 THR 33 0.906 -9.227 -6.789 281 HG22 THR 33 1HG2 THR 33 2.395 -8.524 -6.151 282 HG23 THR 33 2HG2 THR 33 2.045 -8.437 -7.878 283 H GLU 34 H GLU 34 0.301 -8.552 -3.259 284 HA GLU 34 HA GLU 34 2.539 -7.292 -1.867 285 HB2 GLU 34 2HB GLU 34 0.468 -8.259 -0.716 286 HB3 GLU 34 3HB GLU 34 1.031 -9.862 -1.158 287 HG2 GLU 34 2HG GLU 34 2.704 -7.972 0.512 288 HG3 GLU 34 3HG GLU 34 1.501 -9.023 1.233 289 H THR 35 H THR 35 4.619 -8.066 -1.953 290 HA THR 35 HA THR 35 5.273 -10.560 -3.346 291 HB THR 35 HB THR 35 6.344 -7.853 -4.305 292 HG1 THR 35 HG1 THR 35 4.133 -8.251 -4.911 293 HG21 THR 35 3HG2 THR 35 6.730 -10.661 -5.422 294 HG22 THR 35 1HG2 THR 35 7.960 -9.699 -4.607 295 HG23 THR 35 2HG2 THR 35 7.321 -9.174 -6.167 296 H THR 36 H THR 36 6.560 -11.467 -1.797 297 HA THR 36 HA THR 36 8.235 -9.905 -0.035 298 HB THR 36 HB THR 36 8.158 -12.946 -0.341 299 HG1 THR 36 HG1 THR 36 6.284 -11.183 0.609 300 HG21 THR 36 3HG2 THR 36 10.072 -12.110 1.007 301 HG22 THR 36 1HG2 THR 36 8.896 -12.936 2.029 302 HG23 THR 36 2HG2 THR 36 8.961 -11.172 2.010 303 H ARG 37 H ARG 37 9.967 -8.973 -0.897 304 HA ARG 37 HA ARG 37 11.569 -10.303 -3.026 305 HB2 ARG 37 2HB ARG 37 10.244 -8.578 -4.051 306 HB3 ARG 37 3HB ARG 37 10.553 -7.446 -2.742 307 HG2 ARG 37 2HG ARG 37 12.930 -7.297 -3.462 308 HG3 ARG 37 3HG ARG 37 12.573 -8.380 -4.809 309 HD2 ARG 37 2HD ARG 37 11.104 -6.761 -5.822 310 HD3 ARG 37 3HD ARG 37 11.136 -5.739 -4.381 311 HE ARG 37 HE ARG 37 13.714 -6.171 -5.662 312 HH11 ARG 37 1HH1 ARG 37 10.901 -4.058 -5.434 313 HH12 ARG 37 2HH1 ARG 37 11.735 -2.676 -6.074 314 HH21 ARG 37 1HH2 ARG 37 14.797 -4.335 -6.469 315 HH22 ARG 37 2HH2 ARG 37 13.943 -2.833 -6.657 316 H ASN 38 H ASN 38 13.595 -10.679 -2.353 317 HA ASN 38 HA ASN 38 15.615 -10.605 -1.298 318 HB2 ASN 38 2HB ASN 38 15.060 -7.596 -1.308 319 HB3 ASN 38 3HB ASN 38 16.595 -8.294 -0.818 320 HD21 ASN 38 1HD2 ASN 38 14.609 -9.375 -3.576 321 HD22 ASN 38 2HD2 ASN 38 15.737 -8.892 -4.783 322 H GLY 39 H GLY 39 13.184 -11.005 0.247 323 HA2 GLY 39 2HA GLY 39 12.857 -11.625 2.459 324 HA3 GLY 39 3HA GLY 39 14.205 -10.617 2.956 325 H ARG 40 H ARG 40 12.937 -8.359 1.292 326 HA ARG 40 HA ARG 40 11.201 -7.352 3.445 327 HB2 ARG 40 2HB ARG 40 12.272 -5.763 1.075 328 HB3 ARG 40 3HB ARG 40 11.621 -5.138 2.584 329 HG2 ARG 40 2HG ARG 40 14.273 -6.526 2.164 330 HG3 ARG 40 3HG ARG 40 13.998 -4.843 2.595 331 HD2 ARG 40 2HD ARG 40 13.382 -7.239 4.359 332 HD3 ARG 40 3HD ARG 40 14.777 -6.171 4.519 333 HE ARG 40 HE ARG 40 12.506 -4.561 4.655 334 HH11 ARG 40 1HH1 ARG 40 13.981 -7.123 6.584 335 HH12 ARG 40 2HH1 ARG 40 13.321 -6.526 8.076 336 HH21 ARG 40 1HH2 ARG 40 11.639 -3.829 6.641 337 HH22 ARG 40 2HH2 ARG 40 12.010 -4.686 8.107 338 H ARG 41 H ARG 41 9.133 -7.816 3.125 339 HA ARG 41 HA ARG 41 7.998 -8.356 0.546 340 HB2 ARG 41 2HB ARG 41 5.866 -8.657 1.748 341 HB3 ARG 41 3HB ARG 41 7.168 -9.571 2.489 342 HG2 ARG 41 2HG ARG 41 7.325 -7.926 4.305 343 HG3 ARG 41 3HG ARG 41 6.075 -6.944 3.540 344 HD2 ARG 41 2HD ARG 41 5.058 -8.198 5.325 345 HD3 ARG 41 3HD ARG 41 4.481 -8.872 3.802 346 HE ARG 41 HE ARG 41 6.292 -10.115 5.740 347 HH11 ARG 41 1HH1 ARG 41 4.608 -10.456 2.653 348 HH12 ARG 41 2HH1 ARG 41 4.847 -12.172 2.592 349 HH21 ARG 41 1HH2 ARG 41 6.585 -12.325 5.638 350 HH22 ARG 41 2HH2 ARG 41 5.976 -13.234 4.293 351 H GLN 42 H GLN 42 6.912 -6.976 -0.779 352 HA GLN 42 HA GLN 42 6.394 -4.227 0.164 353 HB2 GLN 42 2HB GLN 42 6.817 -3.439 -2.148 354 HB3 GLN 42 3HB GLN 42 8.235 -4.150 -1.394 355 HG2 GLN 42 2HG GLN 42 8.099 -6.114 -2.750 356 HG3 GLN 42 3HG GLN 42 6.479 -5.696 -3.316 357 HE21 GLN 42 1HE2 GLN 42 6.240 -4.073 -4.856 358 HE22 GLN 42 2HE2 GLN 42 7.550 -3.522 -5.825 359 H LEU 43 H LEU 43 4.409 -3.501 -0.035 360 HA LEU 43 HA LEU 43 2.376 -5.061 -1.499 361 HB2 LEU 43 2HB LEU 43 2.323 -4.126 1.061 362 HB3 LEU 43 3HB LEU 43 1.681 -2.705 0.269 363 HG LEU 43 HG LEU 43 0.466 -5.499 0.223 364 HD11 LEU 43 1HD1 LEU 43 0.203 -4.431 2.387 365 HD12 LEU 43 2HD1 LEU 43 -1.350 -4.492 1.558 366 HD13 LEU 43 3HD1 LEU 43 -0.452 -2.974 1.632 367 HD21 LEU 43 3HD2 LEU 43 0.010 -4.369 -1.902 368 HD22 LEU 43 1HD2 LEU 43 -0.629 -2.969 -1.038 369 HD23 LEU 43 2HD2 LEU 43 -1.455 -4.526 -0.937 370 H THR 44 H THR 44 2.137 -4.340 -3.547 371 HA THR 44 HA THR 44 2.952 -1.605 -4.270 372 HB THR 44 HB THR 44 2.485 -3.905 -6.225 373 HG1 THR 44 HG1 THR 44 4.004 -4.624 -4.690 374 HG21 THR 44 3HG2 THR 44 4.119 -2.662 -7.611 375 HG22 THR 44 1HG2 THR 44 4.274 -1.437 -6.347 376 HG23 THR 44 2HG2 THR 44 2.743 -1.639 -7.201 377 H ILE 45 H ILE 45 1.225 -0.333 -4.148 378 HA ILE 45 HA ILE 45 -1.467 -1.210 -4.980 379 HB ILE 45 HB ILE 45 -0.579 1.224 -3.347 380 HG12 ILE 45 2HG1 ILE 45 -1.903 -1.339 -2.334 381 HG13 ILE 45 3HG1 ILE 45 -0.179 -1.013 -2.217 382 HG21 ILE 45 1HG2 ILE 45 -2.697 1.623 -4.537 383 HG22 ILE 45 2HG2 ILE 45 -2.970 1.501 -2.801 384 HG23 ILE 45 3HG2 ILE 45 -3.378 0.145 -3.853 385 HD11 ILE 45 3HD1 ILE 45 -2.378 0.546 -0.883 386 HD12 ILE 45 1HD1 ILE 45 -0.654 0.924 -0.798 387 HD13 ILE 45 2HD1 ILE 45 -1.261 -0.588 -0.124 388 H ARG 46 H ARG 46 -1.961 -0.642 -7.046 389 HA ARG 46 HA ARG 46 -0.804 1.840 -8.208 390 HB2 ARG 46 2HB ARG 46 -1.292 -0.894 -9.455 391 HB3 ARG 46 3HB ARG 46 -1.017 0.548 -10.435 392 HG2 ARG 46 2HG ARG 46 1.206 0.821 -9.613 393 HG3 ARG 46 3HG ARG 46 0.946 -0.319 -8.293 394 HD2 ARG 46 2HD ARG 46 0.936 -1.100 -11.226 395 HD3 ARG 46 3HD ARG 46 2.345 -1.220 -10.168 396 HE ARG 46 HE ARG 46 -0.179 -2.641 -9.564 397 HH11 ARG 46 1HH1 ARG 46 3.307 -2.770 -10.070 398 HH12 ARG 46 2HH1 ARG 46 3.420 -4.429 -9.579 399 HH21 ARG 46 1HH2 ARG 46 0.021 -4.770 -8.858 400 HH22 ARG 46 2HH2 ARG 46 1.565 -5.553 -8.894 401 H SER 47 H SER 47 -2.300 3.317 -8.424 402 HA SER 47 HA SER 47 -4.931 2.653 -9.568 403 HB2 SER 47 2HB SER 47 -4.455 4.510 -7.190 404 HB3 SER 47 3HB SER 47 -5.999 4.309 -8.020 405 HG SER 47 HG SER 47 -4.826 1.964 -7.148 406 H ASN 48 H ASN 48 -5.643 4.099 -11.051 407 HA ASN 48 HA ASN 48 -3.788 6.175 -12.004 408 HB2 ASN 48 2HB ASN 48 -5.256 6.098 -14.079 409 HB3 ASN 48 3HB ASN 48 -4.429 4.595 -13.705 410 HD21 ASN 48 1HD2 ASN 48 -5.907 3.432 -14.958 411 HD22 ASN 48 2HD2 ASN 48 -7.517 3.103 -14.424 412 H ASP 49 H ASP 49 -5.617 6.453 -9.629 413 HA ASP 49 HA ASP 49 -6.874 9.010 -10.376 414 HB2 ASP 49 2HB ASP 49 -8.680 7.300 -10.310 415 HB3 ASP 49 3HB ASP 49 -8.196 6.831 -8.682 416 H LYS 50 H LYS 50 -6.057 10.547 -9.107 417 HA LYS 50 HA LYS 50 -4.179 9.988 -7.083 418 HB2 LYS 50 2HB LYS 50 -4.742 12.231 -8.641 419 HB3 LYS 50 3HB LYS 50 -5.223 12.785 -7.047 420 HG2 LYS 50 2HG LYS 50 -2.492 11.751 -7.874 421 HG3 LYS 50 3HG LYS 50 -2.909 13.417 -7.514 422 HD2 LYS 50 2HD LYS 50 -3.072 11.220 -5.416 423 HD3 LYS 50 3HD LYS 50 -1.584 12.101 -5.734 424 HE2 LYS 50 2HE LYS 50 -2.614 13.117 -3.830 425 HE3 LYS 50 3HE LYS 50 -2.824 14.234 -5.174 426 HZ1 LYS 50 3HZ LYS 50 -4.824 14.025 -3.825 427 HZ2 LYS 50 1HZ LYS 50 -4.899 12.366 -4.148 428 HZ3 LYS 50 2HZ LYS 50 -5.103 13.483 -5.399 429 H ASN 51 H ASN 51 -7.613 10.792 -6.937 430 HA ASN 51 HA ASN 51 -7.747 11.634 -4.225 431 HB2 ASN 51 2HB ASN 51 -10.015 10.274 -5.758 432 HB3 ASN 51 3HB ASN 51 -10.166 11.376 -4.397 433 HD21 ASN 51 1HD2 ASN 51 -9.603 11.108 -7.810 434 HD22 ASN 51 2HD2 ASN 51 -9.762 12.793 -8.171 435 H GLU 52 H GLU 52 -8.258 8.483 -5.781 436 HA GLU 52 HA GLU 52 -9.089 7.181 -3.360 437 HB2 GLU 52 2HB GLU 52 -9.928 6.631 -5.710 438 HB3 GLU 52 3HB GLU 52 -8.372 5.865 -6.017 439 HG2 GLU 52 2HG GLU 52 -10.095 4.213 -5.425 440 HG3 GLU 52 3HG GLU 52 -8.798 4.230 -4.233 441 H VAL 53 H VAL 53 -6.132 7.169 -5.364 442 HA VAL 53 HA VAL 53 -4.741 5.167 -3.908 443 HB VAL 53 HB VAL 53 -4.163 6.057 -6.255 444 HG11 VAL 53 1HG1 VAL 53 -2.641 8.189 -4.731 445 HG12 VAL 53 2HG1 VAL 53 -4.069 8.455 -5.727 446 HG13 VAL 53 3HG1 VAL 53 -2.574 7.896 -6.473 447 HG21 VAL 53 3HG2 VAL 53 -2.748 4.411 -5.123 448 HG22 VAL 53 1HG2 VAL 53 -1.863 5.700 -4.306 449 HG23 VAL 53 2HG2 VAL 53 -1.762 5.534 -6.060 450 H ASP 54 H ASP 54 -5.139 8.622 -3.443 451 HA ASP 54 HA ASP 54 -3.049 8.921 -1.465 452 HB2 ASP 54 2HB ASP 54 -3.816 10.728 -3.094 453 HB3 ASP 54 3HB ASP 54 -5.281 10.878 -2.134 454 H ARG 55 H ARG 55 -6.467 8.153 -1.478 455 HA ARG 55 HA ARG 55 -7.058 8.664 1.256 456 HB2 ARG 55 2HB ARG 55 -8.843 8.289 -0.397 457 HB3 ARG 55 3HB ARG 55 -8.294 6.637 -0.661 458 HG2 ARG 55 2HG ARG 55 -8.891 6.069 1.681 459 HG3 ARG 55 3HG ARG 55 -9.440 7.724 1.945 460 HD2 ARG 55 2HD ARG 55 -10.625 5.808 -0.089 461 HD3 ARG 55 3HD ARG 55 -11.297 6.114 1.517 462 HE ARG 55 HE ARG 55 -11.169 8.594 0.457 463 HH11 ARG 55 1HH1 ARG 55 -12.558 5.615 -0.779 464 HH12 ARG 55 2HH1 ARG 55 -13.783 6.432 -1.687 465 HH21 ARG 55 1HH2 ARG 55 -12.789 9.648 -0.729 466 HH22 ARG 55 2HH2 ARG 55 -13.920 8.720 -1.665 467 H ILE 56 H ILE 56 -5.625 5.955 -0.447 468 HA ILE 56 HA ILE 56 -5.411 4.157 1.788 469 HB ILE 56 HB ILE 56 -3.708 4.172 -0.756 470 HG12 ILE 56 2HG1 ILE 56 -6.347 2.673 -0.405 471 HG13 ILE 56 3HG1 ILE 56 -6.248 4.247 -1.180 472 HG21 ILE 56 1HG2 ILE 56 -2.872 2.684 1.009 473 HG22 ILE 56 2HG2 ILE 56 -3.521 1.735 -0.328 474 HG23 ILE 56 3HG2 ILE 56 -4.462 1.922 1.151 475 HD11 ILE 56 3HD1 ILE 56 -4.918 1.727 -2.133 476 HD12 ILE 56 1HD1 ILE 56 -4.804 3.313 -2.900 477 HD13 ILE 56 2HD1 ILE 56 -6.359 2.488 -2.806 478 H LEU 57 H LEU 57 -3.216 6.337 0.060 479 HA LEU 57 HA LEU 57 -0.822 5.820 1.343 480 HB2 LEU 57 2HB LEU 57 -1.136 7.087 -0.799 481 HB3 LEU 57 3HB LEU 57 -1.723 8.455 0.130 482 HG LEU 57 HG LEU 57 0.528 8.600 1.252 483 HD11 LEU 57 1HD1 LEU 57 1.259 6.297 1.016 484 HD12 LEU 57 2HD1 LEU 57 2.442 7.401 0.323 485 HD13 LEU 57 3HD1 LEU 57 1.368 6.484 -0.737 486 HD21 LEU 57 3HD2 LEU 57 1.695 9.627 -0.641 487 HD22 LEU 57 1HD2 LEU 57 -0.019 10.042 -0.665 488 HD23 LEU 57 2HD2 LEU 57 0.608 8.820 -1.773 489 H GLU 58 H GLU 58 -3.292 8.256 2.138 490 HA GLU 58 HA GLU 58 -1.841 9.609 4.143 491 HB2 GLU 58 2HB GLU 58 -3.935 10.680 4.751 492 HB3 GLU 58 3HB GLU 58 -3.853 10.541 2.997 493 HG2 GLU 58 2HG GLU 58 -5.362 8.568 3.092 494 HG3 GLU 58 3HG GLU 58 -5.462 8.744 4.844 495 H GLU 59 H GLU 59 -3.795 6.680 4.231 496 HA GLU 59 HA GLU 59 -4.020 6.711 7.128 497 HB2 GLU 59 2HB GLU 59 -5.947 6.014 5.707 498 HB3 GLU 59 3HB GLU 59 -5.028 4.600 5.182 499 HG2 GLU 59 2HG GLU 59 -4.900 3.805 7.510 500 HG3 GLU 59 3HG GLU 59 -5.765 5.234 8.059 501 H VAL 60 H VAL 60 -2.256 4.782 4.648 502 HA VAL 60 HA VAL 60 -1.267 2.789 6.400 503 HB VAL 60 HB VAL 60 -1.081 2.454 3.974 504 HG11 VAL 60 1HG1 VAL 60 1.017 4.642 3.937 505 HG12 VAL 60 2HG1 VAL 60 -0.599 4.742 3.239 506 HG13 VAL 60 3HG1 VAL 60 0.575 3.606 2.574 507 HG21 VAL 60 3HG2 VAL 60 0.478 1.195 5.424 508 HG22 VAL 60 1HG2 VAL 60 1.680 2.477 5.261 509 HG23 VAL 60 2HG2 VAL 60 1.205 1.526 3.852 510 H ARG 61 H ARG 61 -0.098 5.992 5.630 511 HA ARG 61 HA ARG 61 2.409 5.860 6.986 512 HB2 ARG 61 2HB ARG 61 0.688 8.147 5.953 513 HB3 ARG 61 3HB ARG 61 2.274 8.403 6.682 514 HG2 ARG 61 2HG ARG 61 3.391 7.214 4.930 515 HG3 ARG 61 3HG ARG 61 1.876 6.558 4.304 516 HD2 ARG 61 2HD ARG 61 2.853 8.386 2.898 517 HD3 ARG 61 3HD ARG 61 1.215 8.721 3.457 518 HE ARG 61 HE ARG 61 2.238 10.164 5.180 519 HH11 ARG 61 1HH1 ARG 61 4.095 9.550 2.233 520 HH12 ARG 61 2HH1 ARG 61 5.001 11.024 2.383 521 HH21 ARG 61 1HH2 ARG 61 3.406 12.056 5.336 522 HH22 ARG 61 2HH2 ARG 61 4.609 12.449 4.151 523 H ARG 62 H ARG 62 -0.828 6.267 8.108 524 HA ARG 62 HA ARG 62 -0.029 7.414 10.698 525 HB2 ARG 62 2HB ARG 62 -2.724 6.925 9.386 526 HB3 ARG 62 3HB ARG 62 -2.571 7.437 11.066 527 HG2 ARG 62 2HG ARG 62 -1.437 9.499 10.378 528 HG3 ARG 62 3HG ARG 62 -1.481 8.985 8.688 529 HD2 ARG 62 2HD ARG 62 -3.244 10.647 9.250 530 HD3 ARG 62 3HD ARG 62 -3.896 9.120 8.647 531 HE ARG 62 HE ARG 62 -3.755 9.615 11.554 532 HH11 ARG 62 1HH1 ARG 62 -5.746 9.113 8.692 533 HH12 ARG 62 2HH1 ARG 62 -7.202 8.879 9.603 534 HH21 ARG 62 1HH2 ARG 62 -5.678 9.330 12.730 535 HH22 ARG 62 2HH2 ARG 62 -7.163 9.002 11.892 536 H LYS 63 H LYS 63 -1.511 4.448 9.366 537 HA LYS 63 HA LYS 63 -1.994 3.198 11.912 538 HB2 LYS 63 2HB LYS 63 -1.907 1.950 9.114 539 HB3 LYS 63 3HB LYS 63 -2.487 1.140 10.562 540 HG2 LYS 63 2HG LYS 63 -3.749 3.577 9.288 541 HG3 LYS 63 3HG LYS 63 -4.314 1.916 9.112 542 HD2 LYS 63 2HD LYS 63 -4.800 1.814 11.531 543 HD3 LYS 63 3HD LYS 63 -4.198 3.463 11.728 544 HE2 LYS 63 2HE LYS 63 -5.992 4.262 10.183 545 HE3 LYS 63 3HE LYS 63 -6.616 2.614 10.100 546 HZ1 LYS 63 3HZ LYS 63 -7.811 3.990 11.695 547 HZ2 LYS 63 1HZ LYS 63 -6.393 4.231 12.579 548 HZ3 LYS 63 2HZ LYS 63 -7.058 2.682 12.459 549 H VAL 64 H VAL 64 0.482 3.050 9.423 550 HA VAL 64 HA VAL 64 2.044 1.053 10.952 551 HB VAL 64 HB VAL 64 1.842 1.397 7.922 552 HG11 VAL 64 1HG1 VAL 64 3.423 -0.652 9.513 553 HG12 VAL 64 2HG1 VAL 64 4.097 0.687 8.581 554 HG13 VAL 64 3HG1 VAL 64 3.244 -0.614 7.754 555 HG21 VAL 64 3HG2 VAL 64 0.731 -0.805 7.909 556 HG22 VAL 64 1HG2 VAL 64 -0.187 0.361 8.864 557 HG23 VAL 64 2HG2 VAL 64 0.795 -0.864 9.671 558 HA PRO 65 HA PRO 65 5.315 4.230 10.464 559 HB2 PRO 65 2HB PRO 65 6.177 4.286 13.012 560 HB3 PRO 65 3HB PRO 65 4.707 5.165 12.547 561 HG2 PRO 65 2HG PRO 65 4.956 2.552 13.980 562 HG3 PRO 65 3HG PRO 65 3.809 3.880 14.255 563 HD2 PRO 65 2HD PRO 65 3.272 1.551 12.768 564 HD3 PRO 65 3HD PRO 65 2.327 3.057 12.702 565 H ASN 66 H ASN 66 4.904 0.960 11.028 566 HA ASN 66 HA ASN 66 7.718 0.267 11.557 567 HB2 ASN 66 2HB ASN 66 5.229 -1.509 11.581 568 HB3 ASN 66 3HB ASN 66 6.838 -1.960 12.137 569 HD21 ASN 66 1HD2 ASN 66 4.215 -1.878 13.527 570 HD22 ASN 66 2HD2 ASN 66 4.483 -0.901 14.930 571 H ALA 67 H ALA 67 6.762 1.259 8.934 572 HA ALA 67 HA ALA 67 8.090 -0.731 7.305 573 HB1 ALA 67 3HB ALA 67 6.329 -0.897 5.593 574 HB2 ALA 67 1HB ALA 67 5.258 0.120 6.565 575 HB3 ALA 67 2HB ALA 67 5.728 -1.477 7.144 576 H ARG 68 H ARG 68 8.785 0.081 5.317 577 HA ARG 68 HA ARG 68 9.186 2.931 5.057 578 HB2 ARG 68 2HB ARG 68 11.051 1.440 4.539 579 HB3 ARG 68 3HB ARG 68 10.068 0.500 3.425 580 HG2 ARG 68 2HG ARG 68 11.629 1.854 2.175 581 HG3 ARG 68 3HG ARG 68 9.998 2.446 1.872 582 HD2 ARG 68 2HD ARG 68 11.806 3.721 3.941 583 HD3 ARG 68 3HD ARG 68 11.870 4.178 2.239 584 HE ARG 68 HE ARG 68 9.378 4.664 2.546 585 HH11 ARG 68 1HH1 ARG 68 11.769 5.158 5.090 586 HH12 ARG 68 2HH1 ARG 68 10.865 6.432 5.848 587 HH21 ARG 68 1HH2 ARG 68 8.246 6.376 3.510 588 HH22 ARG 68 2HH2 ARG 68 8.866 7.124 4.948 589 H VAL 69 H VAL 69 7.348 3.998 4.376 590 HA VAL 69 HA VAL 69 5.719 2.941 2.165 591 HB VAL 69 HB VAL 69 5.390 5.567 3.717 592 HG11 VAL 69 1HG1 VAL 69 4.331 5.655 1.508 593 HG12 VAL 69 2HG1 VAL 69 3.095 5.575 2.764 594 HG13 VAL 69 3HG1 VAL 69 3.488 4.135 1.822 595 HG21 VAL 69 3HG2 VAL 69 3.588 4.427 4.976 596 HG22 VAL 69 1HG2 VAL 69 5.139 3.617 5.218 597 HG23 VAL 69 2HG2 VAL 69 3.939 2.917 4.130 598 H ARG 70 H ARG 70 6.491 3.287 0.176 599 HA ARG 70 HA ARG 70 8.088 5.705 -0.444 600 HB2 ARG 70 2HB ARG 70 9.495 3.730 -0.588 601 HB3 ARG 70 3HB ARG 70 8.289 2.860 -1.531 602 HG2 ARG 70 2HG ARG 70 10.133 3.580 -2.967 603 HG3 ARG 70 3HG ARG 70 8.647 4.408 -3.427 604 HD2 ARG 70 2HD ARG 70 9.447 6.385 -2.043 605 HD3 ARG 70 3HD ARG 70 11.000 5.564 -1.885 606 HE ARG 70 HE ARG 70 9.947 6.951 -4.187 607 HH11 ARG 70 1HH1 ARG 70 12.292 4.505 -3.224 608 HH12 ARG 70 2HH1 ARG 70 13.269 4.724 -4.639 609 HH21 ARG 70 1HH2 ARG 70 11.254 7.233 -6.006 610 HH22 ARG 70 2HH2 ARG 70 12.683 6.266 -6.211 611 H GLU 71 H GLU 71 6.902 7.070 -1.589 612 HA GLU 71 HA GLU 71 4.719 6.267 -3.348 613 HB2 GLU 71 2HB GLU 71 5.918 9.056 -2.952 614 HB3 GLU 71 3HB GLU 71 4.377 8.667 -3.706 615 HG2 GLU 71 2HG GLU 71 3.849 9.513 -1.566 616 HG3 GLU 71 3HG GLU 71 3.606 7.775 -1.467 617 H THR 72 H THR 72 5.025 5.887 -5.509 618 HA THR 72 HA THR 72 7.302 7.112 -6.947 619 HB THR 72 HB THR 72 7.531 4.939 -8.298 620 HG1 THR 72 HG1 THR 72 5.440 4.213 -6.907 621 HG21 THR 72 3HG2 THR 72 8.946 3.756 -6.646 622 HG22 THR 72 1HG2 THR 72 8.243 4.726 -5.349 623 HG23 THR 72 2HG2 THR 72 9.224 5.500 -6.594 624 H GLU 73 H GLU 73 6.320 8.440 -8.363 625 HA GLU 73 HA GLU 73 3.837 7.705 -9.732 626 HB2 GLU 73 2HB GLU 73 5.562 10.209 -10.067 627 HB3 GLU 73 3HB GLU 73 3.984 9.934 -10.795 628 HG2 GLU 73 2HG GLU 73 3.425 11.303 -9.003 629 HG3 GLU 73 3HG GLU 73 3.137 9.704 -8.328 630 H THR 74 H THR 74 3.725 7.209 -11.882 631 HA THR 74 HA THR 74 6.259 6.620 -13.314 632 HB THR 74 HB THR 74 3.678 5.060 -13.719 633 HG1 THR 74 HG1 THR 74 4.625 5.037 -11.438 634 HG21 THR 74 3HG2 THR 74 6.585 4.295 -14.178 635 HG22 THR 74 1HG2 THR 74 5.451 4.783 -15.435 636 HG23 THR 74 2HG2 THR 74 5.182 3.287 -14.539 637 H GLY 75 H GLY 75 6.367 7.515 -15.329 638 HA2 GLY 75 2HA GLY 75 4.686 8.096 -17.314 639 HA3 GLY 75 3HA GLY 75 4.234 9.355 -16.164 640 H SER 76 H SER 76 7.203 7.886 -17.466 641 HA SER 76 HA SER 76 8.776 10.265 -17.210 642 HB2 SER 76 2HB SER 76 10.479 8.875 -18.490 643 HB3 SER 76 3HB SER 76 9.868 8.107 -17.026 644 HG SER 76 HG SER 76 9.106 7.562 -19.705 645 H LEU 77 H LEU 77 7.676 11.890 -18.347 646 HA LEU 77 HA LEU 77 7.200 11.534 -21.248 647 HB2 LEU 77 2HB LEU 77 6.054 13.621 -19.346 648 HB3 LEU 77 3HB LEU 77 5.624 13.425 -21.038 649 HG LEU 77 HG LEU 77 5.038 11.453 -18.798 650 HD11 LEU 77 1HD1 LEU 77 3.151 13.208 -20.393 651 HD12 LEU 77 2HD1 LEU 77 3.606 13.423 -18.701 652 HD13 LEU 77 3HD1 LEU 77 2.679 12.007 -19.188 653 HD21 LEU 77 3HD2 LEU 77 5.479 10.208 -20.845 654 HD22 LEU 77 1HD2 LEU 77 4.344 11.218 -21.744 655 HD23 LEU 77 2HD2 LEU 77 3.761 10.150 -20.464 656 H GLU 78 H GLU 78 8.766 12.328 -22.478 657 HA GLU 78 HA GLU 78 9.547 15.130 -22.195 658 HB2 GLU 78 2HB GLU 78 11.928 14.681 -22.639 659 HB3 GLU 78 3HB GLU 78 11.432 13.905 -21.134 660 HG2 GLU 78 2HG GLU 78 11.326 11.725 -22.248 661 HG3 GLU 78 3HG GLU 78 11.695 12.471 -23.801 662 H HIS 79 H HIS 79 11.185 15.416 -24.306 663 HA HIS 79 HA HIS 79 10.074 14.150 -26.691 664 HB2 HIS 79 2HB HIS 79 9.579 16.427 -27.728 665 HB3 HIS 79 3HB HIS 79 8.483 15.957 -26.433 666 HD1 HIS 79 HD1 HIS 79 7.963 17.826 -24.921 667 HD2 HIS 79 HD2 HIS 79 11.813 18.163 -26.434 668 HE1 HIS 79 HE1 HIS 79 8.881 19.959 -23.986 669 HE2 HIS 79 HE2 HIS 79 11.128 20.221 -25.046 670 H HIS 80 H HIS 80 11.233 15.080 -28.673 671 HA HIS 80 HA HIS 80 14.099 15.123 -28.164 672 HB2 HIS 80 2HB HIS 80 13.245 13.754 -30.020 673 HB3 HIS 80 3HB HIS 80 12.505 15.169 -30.768 674 HD1 HIS 80 HD1 HIS 80 13.873 16.147 -32.598 675 HD2 HIS 80 HD2 HIS 80 16.257 14.168 -29.823 676 HE1 HIS 80 HE1 HIS 80 16.213 16.323 -33.475 677 HE2 HIS 80 HE2 HIS 80 17.632 15.142 -31.773 678 H HIS 81 H HIS 81 15.194 16.949 -27.875 679 HA HIS 81 HA HIS 81 14.187 19.582 -28.195 680 HB2 HIS 81 2HB HIS 81 16.997 18.524 -27.689 681 HB3 HIS 81 3HB HIS 81 16.651 20.246 -27.802 682 HD1 HIS 81 HD1 HIS 81 16.630 21.191 -25.526 683 HD2 HIS 81 HD2 HIS 81 14.910 17.413 -25.611 684 HE1 HIS 81 HE1 HIS 81 15.886 20.741 -23.174 685 HE2 HIS 81 HE2 HIS 81 15.088 18.356 -23.216 686 H HIS 82 H HIS 82 14.540 21.115 -29.754 687 HA HIS 82 HA HIS 82 15.721 20.255 -32.327 688 HB2 HIS 82 2HB HIS 82 13.213 19.978 -32.282 689 HB3 HIS 82 3HB HIS 82 13.057 21.708 -31.996 690 HD1 HIS 82 HD1 HIS 82 12.935 23.142 -34.052 691 HD2 HIS 82 HD2 HIS 82 14.485 19.373 -34.857 692 HE1 HIS 82 HE1 HIS 82 13.173 23.025 -36.545 693 HE2 HIS 82 HE2 HIS 82 13.916 20.672 -37.011 694 H HIS 83 H HIS 83 17.500 21.563 -32.331 695 HA HIS 83 HA HIS 83 17.275 24.412 -31.600 696 HB2 HIS 83 2HB HIS 83 19.807 24.365 -31.631 697 HB3 HIS 83 3HB HIS 83 19.069 23.298 -30.450 698 HD1 HIS 83 HD1 HIS 83 19.630 20.833 -30.590 699 HD2 HIS 83 HD2 HIS 83 21.076 22.986 -33.837 700 HE1 HIS 83 HE1 HIS 83 21.187 19.279 -31.791 701 HE2 HIS 83 HE2 HIS 83 21.873 20.530 -33.849 702 H HIS 84 H HIS 84 15.961 24.000 -33.920 703 HA HIS 84 HA HIS 84 17.532 25.607 -35.797 704 HB2 HIS 84 2HB HIS 84 16.475 22.846 -36.458 705 HB3 HIS 84 3HB HIS 84 16.517 24.068 -37.724 706 HD1 HIS 84 HD1 HIS 84 18.446 21.357 -36.747 707 HD2 HIS 84 HD2 HIS 84 19.368 25.314 -37.575 708 HE1 HIS 84 HE1 HIS 84 20.894 21.384 -37.285 709 HE2 HIS 84 HE2 HIS 84 21.364 23.741 -37.989 Start of MODEL 19 1 H1 MET 1 1H MET 1 2.928 10.781 -13.147 2 H2 MET 1 2H MET 1 3.650 12.302 -13.223 3 H3 MET 1 3H MET 1 3.664 11.294 -14.579 4 HA MET 1 HA MET 1 1.309 12.559 -13.322 5 HB2 MET 1 2HB MET 1 2.462 12.995 -16.117 6 HB3 MET 1 3HB MET 1 1.121 13.878 -15.386 7 HG2 MET 1 2HG MET 1 4.028 13.968 -14.520 8 HG3 MET 1 3HG MET 1 3.138 15.244 -15.356 9 HE1 MET 1 3HE MET 1 3.755 16.650 -11.688 10 HE2 MET 1 1HE MET 1 3.996 16.976 -13.404 11 HE3 MET 1 2HE MET 1 4.843 15.633 -12.632 12 H GLY 2 H GLY 2 2.500 9.950 -15.252 13 HA2 GLY 2 2HA GLY 2 0.042 9.099 -16.426 14 HA3 GLY 2 3HA GLY 2 1.496 8.141 -16.216 15 H GLN 3 H GLN 3 1.484 6.544 -14.644 16 HA GLN 3 HA GLN 3 -0.890 6.398 -12.899 17 HB2 GLN 3 2HB GLN 3 -0.346 4.434 -14.371 18 HB3 GLN 3 3HB GLN 3 1.148 4.201 -13.467 19 HG2 GLN 3 2HG GLN 3 -0.149 3.779 -11.407 20 HG3 GLN 3 3HG GLN 3 -1.653 4.078 -12.280 21 HE21 GLN 3 1HE2 GLN 3 -2.476 2.042 -11.840 22 HE22 GLN 3 2HE2 GLN 3 -1.855 0.600 -12.562 23 H TRP 4 H TRP 4 -0.758 6.277 -10.720 24 HA TRP 4 HA TRP 4 1.798 7.025 -9.445 25 HB2 TRP 4 2HB TRP 4 -1.071 7.398 -8.462 26 HB3 TRP 4 3HB TRP 4 0.386 7.996 -7.654 27 HD1 TRP 4 HD1 TRP 4 1.608 10.132 -8.758 28 HE1 TRP 4 HE1 TRP 4 0.865 11.843 -10.522 29 HE3 TRP 4 HE3 TRP 4 -2.549 7.742 -10.530 30 HZ2 TRP 4 HZ2 TRP 4 -1.194 12.155 -12.401 31 HZ3 TRP 4 HZ3 TRP 4 -3.858 8.825 -12.309 32 HH2 TRP 4 HH2 TRP 4 -3.190 10.990 -13.225 33 H GLN 5 H GLN 5 2.523 5.863 -7.679 34 HA GLN 5 HA GLN 5 1.374 3.204 -7.220 35 HB2 GLN 5 2HB GLN 5 2.624 2.905 -9.255 36 HB3 GLN 5 3HB GLN 5 3.988 3.825 -8.636 37 HG2 GLN 5 2HG GLN 5 4.505 2.007 -7.053 38 HG3 GLN 5 3HG GLN 5 3.119 1.093 -7.667 39 HE21 GLN 5 1HE2 GLN 5 6.243 2.464 -8.555 40 HE22 GLN 5 2HE2 GLN 5 6.536 1.396 -9.885 41 H ILE 6 H ILE 6 1.396 3.012 -5.096 42 HA ILE 6 HA ILE 6 3.344 4.330 -3.363 43 HB ILE 6 HB ILE 6 0.895 2.673 -2.599 44 HG12 ILE 6 2HG1 ILE 6 0.981 5.715 -2.858 45 HG13 ILE 6 3HG1 ILE 6 0.330 4.652 -4.102 46 HG21 ILE 6 1HG2 ILE 6 2.450 4.740 -0.998 47 HG22 ILE 6 2HG2 ILE 6 2.505 2.991 -0.758 48 HG23 ILE 6 3HG2 ILE 6 1.011 3.879 -0.443 49 HD11 ILE 6 3HD1 ILE 6 -1.430 5.601 -2.756 50 HD12 ILE 6 1HD1 ILE 6 -0.723 4.927 -1.289 51 HD13 ILE 6 2HD1 ILE 6 -1.366 3.855 -2.538 52 H LYS 7 H LYS 7 5.185 3.145 -3.184 53 HA LYS 7 HA LYS 7 5.168 0.222 -2.999 54 HB2 LYS 7 2HB LYS 7 7.435 2.254 -3.212 55 HB3 LYS 7 3HB LYS 7 7.689 0.517 -3.041 56 HG2 LYS 7 2HG LYS 7 6.424 0.162 -5.167 57 HG3 LYS 7 3HG LYS 7 6.317 1.919 -5.362 58 HD2 LYS 7 2HD LYS 7 8.770 2.084 -5.481 59 HD3 LYS 7 3HD LYS 7 8.931 0.354 -5.167 60 HE2 LYS 7 2HE LYS 7 7.741 -0.106 -7.301 61 HE3 LYS 7 3HE LYS 7 7.669 1.628 -7.612 62 HZ1 LYS 7 3HZ LYS 7 10.063 1.689 -7.655 63 HZ2 LYS 7 1HZ LYS 7 9.484 0.576 -8.782 64 HZ3 LYS 7 2HZ LYS 7 10.154 0.035 -7.330 65 H ILE 8 H ILE 8 4.684 -0.483 -1.052 66 HA ILE 8 HA ILE 8 5.545 0.853 1.428 67 HB ILE 8 HB ILE 8 3.651 -1.514 1.022 68 HG12 ILE 8 2HG1 ILE 8 2.852 1.399 1.481 69 HG13 ILE 8 3HG1 ILE 8 2.814 0.602 -0.089 70 HG21 ILE 8 1HG2 ILE 8 4.035 0.264 3.453 71 HG22 ILE 8 2HG2 ILE 8 4.606 -1.399 3.292 72 HG23 ILE 8 3HG2 ILE 8 2.873 -1.058 3.312 73 HD11 ILE 8 3HD1 ILE 8 0.611 0.697 0.929 74 HD12 ILE 8 1HD1 ILE 8 1.190 -0.206 2.328 75 HD13 ILE 8 2HD1 ILE 8 1.146 -0.970 0.735 76 H TYR 9 H TYR 9 7.112 -0.145 2.758 77 HA TYR 9 HA TYR 9 8.070 -2.868 2.065 78 HB2 TYR 9 2HB TYR 9 9.854 -0.453 2.644 79 HB3 TYR 9 3HB TYR 9 10.420 -2.100 2.410 80 HD1 TYR 9 HD2 TYR 9 10.105 -3.198 0.120 81 HD2 TYR 9 HD1 TYR 9 9.526 1.002 0.747 82 HE1 TYR 9 HE2 TYR 9 10.374 -2.795 -2.288 83 HE2 TYR 9 HE1 TYR 9 9.802 1.396 -1.663 84 HH TYR 9 HH TYR 9 10.791 0.345 -3.591 85 H SER 10 H SER 10 7.717 -4.067 3.850 86 HA SER 10 HA SER 10 8.726 -3.137 6.438 87 HB2 SER 10 2HB SER 10 6.296 -2.648 6.483 88 HB3 SER 10 3HB SER 10 5.942 -4.323 6.066 89 HG SER 10 HG SER 10 6.031 -3.480 8.407 90 H GLU 11 H GLU 11 8.742 -4.954 8.011 91 HA GLU 11 HA GLU 11 9.559 -7.520 6.802 92 HB2 GLU 11 2HB GLU 11 10.601 -7.960 8.999 93 HB3 GLU 11 3HB GLU 11 11.182 -6.446 8.316 94 HG2 GLU 11 2HG GLU 11 9.711 -5.166 9.805 95 HG3 GLU 11 3HG GLU 11 9.036 -6.657 10.461 96 H ASN 12 H ASN 12 6.957 -6.030 8.412 97 HA ASN 12 HA ASN 12 6.239 -8.304 10.108 98 HB2 ASN 12 2HB ASN 12 6.407 -5.915 10.989 99 HB3 ASN 12 3HB ASN 12 4.993 -5.519 10.022 100 HD21 ASN 12 1HD2 ASN 12 5.378 -5.418 12.927 101 HD22 ASN 12 2HD2 ASN 12 4.156 -6.424 13.614 102 H GLU 13 H GLU 13 4.493 -9.526 9.812 103 HA GLU 13 HA GLU 13 3.005 -9.406 7.348 104 HB2 GLU 13 2HB GLU 13 2.506 -11.312 9.691 105 HB3 GLU 13 3HB GLU 13 1.914 -11.480 8.045 106 HG2 GLU 13 2HG GLU 13 3.672 -13.005 8.109 107 HG3 GLU 13 3HG GLU 13 4.411 -11.592 7.360 108 H ARG 14 H ARG 14 2.288 -9.068 10.843 109 HA ARG 14 HA ARG 14 -0.452 -8.821 10.900 110 HB2 ARG 14 2HB ARG 14 1.015 -8.861 12.926 111 HB3 ARG 14 3HB ARG 14 1.516 -7.212 12.585 112 HG2 ARG 14 2HG ARG 14 -0.126 -7.107 14.342 113 HG3 ARG 14 3HG ARG 14 -0.891 -6.488 12.875 114 HD2 ARG 14 2HD ARG 14 -2.425 -7.964 14.081 115 HD3 ARG 14 3HD ARG 14 -1.986 -8.676 12.524 116 HE ARG 14 HE ARG 14 -0.388 -9.523 14.807 117 HH11 ARG 14 1HH1 ARG 14 -3.157 -10.298 12.773 118 HH12 ARG 14 2HH1 ARG 14 -3.161 -11.974 13.223 119 HH21 ARG 14 1HH2 ARG 14 -0.398 -11.726 15.359 120 HH22 ARG 14 2HH2 ARG 14 -1.602 -12.778 14.685 121 H GLU 15 H GLU 15 1.901 -6.191 10.368 122 HA GLU 15 HA GLU 15 0.156 -4.029 10.052 123 HB2 GLU 15 2HB GLU 15 2.909 -4.522 8.829 124 HB3 GLU 15 3HB GLU 15 2.060 -2.977 8.734 125 HG2 GLU 15 2HG GLU 15 2.009 -2.967 11.276 126 HG3 GLU 15 3HG GLU 15 3.093 -4.359 11.233 127 H PHE 16 H PHE 16 1.559 -6.184 7.613 128 HA PHE 16 HA PHE 16 0.216 -5.068 5.372 129 HB2 PHE 16 2HB PHE 16 2.012 -7.429 5.864 130 HB3 PHE 16 3HB PHE 16 1.009 -7.493 4.420 131 HD1 PHE 16 HD2 PHE 16 2.874 -4.662 6.082 132 HD2 PHE 16 HD1 PHE 16 2.320 -7.032 2.564 133 HE1 PHE 16 HE2 PHE 16 4.474 -3.250 4.855 134 HE2 PHE 16 HE1 PHE 16 3.914 -5.622 1.366 135 HZ PHE 16 HZ PHE 16 4.994 -3.729 2.500 136 H ARG 17 H ARG 17 -0.775 -7.462 7.735 137 HA ARG 17 HA ARG 17 -2.675 -8.894 6.159 138 HB2 ARG 17 2HB ARG 17 -2.601 -8.428 9.180 139 HB3 ARG 17 3HB ARG 17 -3.736 -9.516 8.382 140 HG2 ARG 17 2HG ARG 17 -0.726 -9.810 8.408 141 HG3 ARG 17 3HG ARG 17 -1.855 -10.720 9.407 142 HD2 ARG 17 2HD ARG 17 -2.822 -11.756 7.397 143 HD3 ARG 17 3HD ARG 17 -1.753 -10.787 6.368 144 HE ARG 17 HE ARG 17 -0.281 -12.307 8.276 145 HH11 ARG 17 1HH1 ARG 17 -1.965 -12.664 5.201 146 HH12 ARG 17 2HH1 ARG 17 -1.010 -14.023 4.703 147 HH21 ARG 17 1HH2 ARG 17 0.981 -14.050 7.600 148 HH22 ARG 17 2HH2 ARG 17 0.671 -14.811 6.072 149 H GLU 18 H GLU 18 -2.915 -6.261 8.513 150 HA GLU 18 HA GLU 18 -5.663 -5.701 8.211 151 HB2 GLU 18 2HB GLU 18 -3.409 -3.941 9.265 152 HB3 GLU 18 3HB GLU 18 -5.135 -3.628 9.484 153 HG2 GLU 18 2HG GLU 18 -5.401 -5.641 10.819 154 HG3 GLU 18 3HG GLU 18 -3.738 -6.131 10.488 155 H LEU 19 H LEU 19 -2.757 -4.431 6.587 156 HA LEU 19 HA LEU 19 -3.996 -2.369 5.115 157 HB2 LEU 19 2HB LEU 19 -1.392 -3.792 4.989 158 HB3 LEU 19 3HB LEU 19 -1.935 -3.221 3.426 159 HG LEU 19 HG LEU 19 -0.445 -1.577 4.504 160 HD11 LEU 19 1HD1 LEU 19 -1.844 0.429 4.237 161 HD12 LEU 19 2HD1 LEU 19 -3.305 -0.557 4.278 162 HD13 LEU 19 3HD1 LEU 19 -2.154 -0.736 2.950 163 HD21 LEU 19 3HD2 LEU 19 -1.133 -0.347 6.529 164 HD22 LEU 19 1HD2 LEU 19 -0.929 -2.063 6.864 165 HD23 LEU 19 2HD2 LEU 19 -2.550 -1.386 6.696 166 H ILE 20 H ILE 20 -3.385 -5.785 4.248 167 HA ILE 20 HA ILE 20 -4.604 -5.781 1.725 168 HB ILE 20 HB ILE 20 -4.251 -8.022 3.755 169 HG12 ILE 20 2HG1 ILE 20 -2.142 -7.138 2.821 170 HG13 ILE 20 3HG1 ILE 20 -2.412 -8.777 2.254 171 HG21 ILE 20 1HG2 ILE 20 -5.237 -8.319 0.899 172 HG22 ILE 20 2HG2 ILE 20 -6.154 -8.662 2.367 173 HG23 ILE 20 3HG2 ILE 20 -4.754 -9.652 1.953 174 HD11 ILE 20 3HD1 ILE 20 -1.507 -7.394 0.512 175 HD12 ILE 20 1HD1 ILE 20 -2.824 -6.238 0.679 176 HD13 ILE 20 2HD1 ILE 20 -3.149 -7.870 0.085 177 H GLU 21 H GLU 21 -6.000 -6.356 4.974 178 HA GLU 21 HA GLU 21 -8.626 -6.999 4.237 179 HB2 GLU 21 2HB GLU 21 -7.677 -5.565 6.754 180 HB3 GLU 21 3HB GLU 21 -9.276 -6.276 6.547 181 HG2 GLU 21 2HG GLU 21 -6.621 -7.717 6.704 182 HG3 GLU 21 3HG GLU 21 -7.927 -7.752 7.884 183 H ARG 22 H ARG 22 -7.134 -3.836 4.961 184 HA ARG 22 HA ARG 22 -9.501 -2.284 4.863 185 HB2 ARG 22 2HB ARG 22 -6.582 -1.447 4.565 186 HB3 ARG 22 3HB ARG 22 -7.919 -0.302 4.648 187 HG2 ARG 22 2HG ARG 22 -6.994 -2.196 6.825 188 HG3 ARG 22 3HG ARG 22 -6.901 -0.436 6.831 189 HD2 ARG 22 2HD ARG 22 -9.371 -0.308 6.916 190 HD3 ARG 22 3HD ARG 22 -9.477 -2.070 6.855 191 HE ARG 22 HE ARG 22 -8.637 -0.419 9.122 192 HH11 ARG 22 1HH1 ARG 22 -9.200 -3.636 7.846 193 HH12 ARG 22 2HH1 ARG 22 -9.195 -4.394 9.408 194 HH21 ARG 22 1HH2 ARG 22 -8.655 -1.402 11.171 195 HH22 ARG 22 2HH2 ARG 22 -8.887 -3.117 11.295 196 H LEU 23 H LEU 23 -7.012 -3.017 2.443 197 HA LEU 23 HA LEU 23 -8.110 -1.391 0.370 198 HB2 LEU 23 2HB LEU 23 -5.967 -3.511 0.492 199 HB3 LEU 23 3HB LEU 23 -6.568 -3.018 -1.075 200 HG LEU 23 HG LEU 23 -4.501 -1.819 -0.565 201 HD11 LEU 23 1HD1 LEU 23 -5.204 0.479 -0.953 202 HD12 LEU 23 2HD1 LEU 23 -6.856 0.084 -0.475 203 HD13 LEU 23 3HD1 LEU 23 -6.153 -0.647 -1.920 204 HD21 LEU 23 3HD2 LEU 23 -4.549 -1.817 1.877 205 HD22 LEU 23 1HD2 LEU 23 -5.881 -0.662 1.880 206 HD23 LEU 23 2HD2 LEU 23 -4.293 -0.188 1.263 207 H GLU 24 H GLU 24 -8.698 -4.714 1.406 208 HA GLU 24 HA GLU 24 -10.378 -5.460 -0.805 209 HB2 GLU 24 2HB GLU 24 -10.109 -6.595 2.011 210 HB3 GLU 24 3HB GLU 24 -11.201 -7.272 0.809 211 HG2 GLU 24 2HG GLU 24 -8.191 -7.075 0.487 212 HG3 GLU 24 3HG GLU 24 -9.050 -8.512 1.037 213 H GLU 25 H GLU 25 -10.845 -3.742 2.230 214 HA GLU 25 HA GLU 25 -13.734 -3.683 2.129 215 HB2 GLU 25 2HB GLU 25 -11.736 -2.136 3.849 216 HB3 GLU 25 3HB GLU 25 -13.486 -1.993 4.019 217 HG2 GLU 25 2HG GLU 25 -13.665 -4.350 4.633 218 HG3 GLU 25 3HG GLU 25 -11.946 -4.589 4.343 219 H GLU 26 H GLU 26 -11.141 -1.770 0.772 220 HA GLU 26 HA GLU 26 -12.602 0.634 0.270 221 HB2 GLU 26 2HB GLU 26 -10.113 -0.456 -1.116 222 HB3 GLU 26 3HB GLU 26 -10.775 1.153 -1.383 223 HG2 GLU 26 2HG GLU 26 -9.681 0.111 1.246 224 HG3 GLU 26 3HG GLU 26 -8.812 1.152 0.131 225 H ARG 27 H ARG 27 -14.187 0.921 -1.113 226 HA ARG 27 HA ARG 27 -15.042 -1.143 -2.923 227 HB2 ARG 27 2HB ARG 27 -16.213 1.433 -1.912 228 HB3 ARG 27 3HB ARG 27 -16.827 0.846 -3.443 229 HG2 ARG 27 2HG ARG 27 -18.028 0.224 -1.163 230 HG3 ARG 27 3HG ARG 27 -17.960 -0.919 -2.498 231 HD2 ARG 27 2HD ARG 27 -15.909 -0.972 -0.273 232 HD3 ARG 27 3HD ARG 27 -17.463 -1.800 -0.122 233 HE ARG 27 HE ARG 27 -16.264 -2.569 -2.558 234 HH11 ARG 27 1HH1 ARG 27 -15.777 -3.106 0.891 235 HH12 ARG 27 2HH1 ARG 27 -14.988 -4.634 0.647 236 HH21 ARG 27 1HH2 ARG 27 -15.172 -4.535 -2.833 237 HH22 ARG 27 2HH2 ARG 27 -14.651 -5.432 -1.442 238 HA PRO 28 HA PRO 28 -15.732 -1.880 -4.581 239 HB2 PRO 28 2HB PRO 28 -15.421 -2.869 -7.128 240 HB3 PRO 28 3HB PRO 28 -16.663 -1.679 -6.689 241 HG2 PRO 28 2HG PRO 28 -14.191 -1.283 -8.257 242 HG3 PRO 28 3HG PRO 28 -15.678 -0.320 -8.230 243 HD2 PRO 28 2HD PRO 28 -13.193 0.255 -6.883 244 HD3 PRO 28 3HD PRO 28 -14.699 1.194 -6.832 245 H SER 29 H SER 29 -12.512 -1.500 -6.021 246 HA SER 29 HA SER 29 -11.245 -3.522 -4.539 247 HB2 SER 29 2HB SER 29 -10.794 -5.137 -6.461 248 HB3 SER 29 3HB SER 29 -12.467 -5.123 -5.913 249 HG SER 29 HG SER 29 -12.343 -3.301 -7.777 250 H VAL 30 H VAL 30 -9.226 -2.670 -4.396 251 HA VAL 30 HA VAL 30 -8.288 -0.705 -6.359 252 HB VAL 30 HB VAL 30 -7.107 -1.506 -3.655 253 HG11 VAL 30 1HG1 VAL 30 -6.369 0.853 -5.441 254 HG12 VAL 30 2HG1 VAL 30 -5.369 -0.573 -5.158 255 HG13 VAL 30 3HG1 VAL 30 -5.718 0.535 -3.831 256 HG21 VAL 30 3HG2 VAL 30 -8.786 0.925 -4.396 257 HG22 VAL 30 1HG2 VAL 30 -8.053 0.621 -2.819 258 HG23 VAL 30 2HG2 VAL 30 -9.325 -0.446 -3.420 259 H GLN 31 H GLN 31 -6.500 -0.972 -7.655 260 HA GLN 31 HA GLN 31 -5.396 -3.567 -8.182 261 HB2 GLN 31 2HB GLN 31 -4.502 -0.803 -9.133 262 HB3 GLN 31 3HB GLN 31 -3.953 -2.336 -9.812 263 HG2 GLN 31 2HG GLN 31 -6.246 -2.831 -10.567 264 HG3 GLN 31 3HG GLN 31 -6.815 -1.320 -9.860 265 HE21 GLN 31 1HE2 GLN 31 -4.956 -2.753 -12.457 266 HE22 GLN 31 2HE2 GLN 31 -4.903 -1.342 -13.458 267 H TYR 32 H TYR 32 -3.871 -4.497 -6.898 268 HA TYR 32 HA TYR 32 -1.420 -3.111 -6.256 269 HB2 TYR 32 2HB TYR 32 -1.471 -3.480 -3.824 270 HB3 TYR 32 3HB TYR 32 -2.783 -2.428 -4.325 271 HD1 TYR 32 HD2 TYR 32 -1.983 -5.874 -3.133 272 HD2 TYR 32 HD1 TYR 32 -5.090 -3.033 -3.889 273 HE1 TYR 32 HE2 TYR 32 -3.584 -7.289 -1.914 274 HE2 TYR 32 HE1 TYR 32 -6.677 -4.442 -2.665 275 HH TYR 32 HH TYR 32 -6.973 -6.712 -1.967 276 H THR 33 H THR 33 0.178 -4.594 -5.175 277 HA THR 33 HA THR 33 -0.257 -7.467 -5.475 278 HB THR 33 HB THR 33 1.965 -6.065 -7.060 279 HG1 THR 33 HG1 THR 33 -0.593 -6.950 -7.779 280 HG21 THR 33 3HG2 THR 33 2.398 -8.302 -8.015 281 HG22 THR 33 1HG2 THR 33 1.149 -8.995 -6.991 282 HG23 THR 33 2HG2 THR 33 2.610 -8.319 -6.261 283 H GLU 34 H GLU 34 0.464 -8.119 -3.503 284 HA GLU 34 HA GLU 34 2.838 -6.988 -2.214 285 HB2 GLU 34 2HB GLU 34 0.901 -7.574 -0.792 286 HB3 GLU 34 3HB GLU 34 0.980 -9.244 -1.348 287 HG2 GLU 34 2HG GLU 34 3.424 -9.191 -0.361 288 HG3 GLU 34 3HG GLU 34 2.862 -7.765 0.511 289 H THR 35 H THR 35 4.787 -8.065 -2.060 290 HA THR 35 HA THR 35 5.150 -10.782 -3.089 291 HB THR 35 HB THR 35 6.730 -8.379 -4.157 292 HG1 THR 35 HG1 THR 35 4.573 -9.854 -5.174 293 HG21 THR 35 3HG2 THR 35 8.164 -10.386 -3.998 294 HG22 THR 35 1HG2 THR 35 7.819 -9.992 -5.686 295 HG23 THR 35 2HG2 THR 35 6.966 -11.321 -4.897 296 H THR 36 H THR 36 6.483 -11.850 -1.648 297 HA THR 36 HA THR 36 8.167 -10.345 0.220 298 HB THR 36 HB THR 36 7.929 -13.382 -0.076 299 HG1 THR 36 HG1 THR 36 5.989 -11.882 0.583 300 HG21 THR 36 3HG2 THR 36 9.933 -12.655 1.197 301 HG22 THR 36 1HG2 THR 36 8.754 -13.419 2.271 302 HG23 THR 36 2HG2 THR 36 8.915 -11.660 2.242 303 H ARG 37 H ARG 37 9.874 -9.471 -0.883 304 HA ARG 37 HA ARG 37 11.509 -11.177 -2.689 305 HB2 ARG 37 2HB ARG 37 10.312 -9.245 -3.788 306 HB3 ARG 37 3HB ARG 37 11.211 -8.138 -2.753 307 HG2 ARG 37 2HG ARG 37 13.342 -9.056 -3.772 308 HG3 ARG 37 3HG ARG 37 12.341 -9.992 -4.882 309 HD2 ARG 37 2HD ARG 37 12.482 -6.966 -4.683 310 HD3 ARG 37 3HD ARG 37 13.142 -7.973 -5.973 311 HE ARG 37 HE ARG 37 10.249 -8.046 -5.480 312 HH11 ARG 37 1HH1 ARG 37 12.858 -6.978 -7.591 313 HH12 ARG 37 2HH1 ARG 37 11.792 -6.604 -8.907 314 HH21 ARG 37 1HH2 ARG 37 8.871 -7.458 -7.160 315 HH22 ARG 37 2HH2 ARG 37 9.527 -6.878 -8.659 316 H ASN 38 H ASN 38 13.495 -11.613 -1.950 317 HA ASN 38 HA ASN 38 15.406 -11.688 -0.738 318 HB2 ASN 38 2HB ASN 38 15.021 -8.660 -0.635 319 HB3 ASN 38 3HB ASN 38 16.460 -9.474 -0.031 320 HD21 ASN 38 1HD2 ASN 38 14.753 -8.428 -2.856 321 HD22 ASN 38 2HD2 ASN 38 15.969 -8.854 -4.006 322 H GLY 39 H GLY 39 12.660 -11.663 0.626 323 HA2 GLY 39 2HA GLY 39 12.250 -12.501 2.798 324 HA3 GLY 39 3HA GLY 39 13.668 -11.662 3.399 325 H ARG 40 H ARG 40 12.305 -9.316 1.596 326 HA ARG 40 HA ARG 40 10.864 -8.221 3.929 327 HB2 ARG 40 2HB ARG 40 11.274 -6.030 3.112 328 HB3 ARG 40 3HB ARG 40 12.781 -6.907 2.891 329 HG2 ARG 40 2HG ARG 40 12.163 -7.189 0.457 330 HG3 ARG 40 3HG ARG 40 10.776 -6.134 0.737 331 HD2 ARG 40 2HD ARG 40 12.663 -4.895 -0.231 332 HD3 ARG 40 3HD ARG 40 12.301 -4.310 1.397 333 HE ARG 40 HE ARG 40 14.214 -6.120 1.905 334 HH11 ARG 40 1HH1 ARG 40 14.156 -3.528 -0.478 335 HH12 ARG 40 2HH1 ARG 40 15.879 -3.320 -0.454 336 HH21 ARG 40 1HH2 ARG 40 16.438 -5.841 1.932 337 HH22 ARG 40 2HH2 ARG 40 17.175 -4.637 0.920 338 H ARG 41 H ARG 41 8.789 -7.658 3.872 339 HA ARG 41 HA ARG 41 7.039 -8.446 1.724 340 HB2 ARG 41 2HB ARG 41 6.601 -7.042 4.397 341 HB3 ARG 41 3HB ARG 41 5.287 -7.367 3.273 342 HG2 ARG 41 2HG ARG 41 7.062 -9.517 4.486 343 HG3 ARG 41 3HG ARG 41 5.477 -9.044 5.112 344 HD2 ARG 41 2HD ARG 41 4.408 -9.722 3.014 345 HD3 ARG 41 3HD ARG 41 5.979 -10.114 2.311 346 HE ARG 41 HE ARG 41 6.150 -11.837 4.129 347 HH11 ARG 41 1HH1 ARG 41 2.997 -10.845 2.927 348 HH12 ARG 41 2HH1 ARG 41 2.245 -12.359 3.316 349 HH21 ARG 41 1HH2 ARG 41 5.158 -13.827 4.598 350 HH22 ARG 41 2HH2 ARG 41 3.467 -14.044 4.262 351 H GLN 42 H GLN 42 7.097 -7.168 -0.095 352 HA GLN 42 HA GLN 42 6.841 -4.239 0.238 353 HB2 GLN 42 2HB GLN 42 7.591 -3.953 -2.030 354 HB3 GLN 42 3HB GLN 42 8.715 -5.053 -1.245 355 HG2 GLN 42 2HG GLN 42 7.574 -6.963 -2.358 356 HG3 GLN 42 3HG GLN 42 6.519 -5.827 -3.187 357 HE21 GLN 42 1HE2 GLN 42 8.691 -3.880 -3.697 358 HE22 GLN 42 2HE2 GLN 42 9.661 -4.590 -4.934 359 H LEU 43 H LEU 43 4.979 -3.221 -0.490 360 HA LEU 43 HA LEU 43 2.921 -4.848 -1.864 361 HB2 LEU 43 2HB LEU 43 2.643 -3.890 0.731 362 HB3 LEU 43 3HB LEU 43 1.934 -2.577 -0.175 363 HG LEU 43 HG LEU 43 1.015 -5.477 -0.157 364 HD11 LEU 43 1HD1 LEU 43 -0.329 -2.976 0.906 365 HD12 LEU 43 2HD1 LEU 43 0.392 -4.278 1.858 366 HD13 LEU 43 3HD1 LEU 43 -1.037 -4.597 0.878 367 HD21 LEU 43 3HD2 LEU 43 0.699 -4.601 -2.408 368 HD22 LEU 43 1HD2 LEU 43 -0.121 -3.173 -1.774 369 HD23 LEU 43 2HD2 LEU 43 -0.859 -4.768 -1.606 370 H THR 44 H THR 44 2.982 -4.103 -3.860 371 HA THR 44 HA THR 44 3.501 -1.297 -4.488 372 HB THR 44 HB THR 44 3.124 -3.723 -6.314 373 HG1 THR 44 HG1 THR 44 5.014 -3.641 -4.797 374 HG21 THR 44 3HG2 THR 44 2.705 -1.588 -7.504 375 HG22 THR 44 1HG2 THR 44 4.216 -2.326 -8.046 376 HG23 THR 44 2HG2 THR 44 4.252 -0.964 -6.930 377 H ILE 45 H ILE 45 1.640 -0.170 -4.084 378 HA ILE 45 HA ILE 45 -0.978 -1.126 -5.057 379 HB ILE 45 HB ILE 45 -0.317 1.251 -3.243 380 HG12 ILE 45 2HG1 ILE 45 -1.399 -1.524 -2.568 381 HG13 ILE 45 3HG1 ILE 45 0.170 -0.876 -2.108 382 HG21 ILE 45 1HG2 ILE 45 -3.034 0.072 -3.958 383 HG22 ILE 45 2HG2 ILE 45 -2.400 1.614 -4.534 384 HG23 ILE 45 3HG2 ILE 45 -2.754 1.393 -2.820 385 HD11 ILE 45 3HD1 ILE 45 -0.956 0.775 -0.686 386 HD12 ILE 45 1HD1 ILE 45 -1.323 -0.889 -0.236 387 HD13 ILE 45 2HD1 ILE 45 -2.517 0.065 -1.117 388 H ARG 46 H ARG 46 -2.075 0.056 -6.656 389 HA ARG 46 HA ARG 46 -0.769 2.388 -7.876 390 HB2 ARG 46 2HB ARG 46 -1.569 -0.134 -9.406 391 HB3 ARG 46 3HB ARG 46 -1.047 1.375 -10.152 392 HG2 ARG 46 2HG ARG 46 1.180 1.119 -9.097 393 HG3 ARG 46 3HG ARG 46 0.652 -0.398 -8.359 394 HD2 ARG 46 2HD ARG 46 0.987 0.191 -11.318 395 HD3 ARG 46 3HD ARG 46 1.953 -0.909 -10.327 396 HE ARG 46 HE ARG 46 -0.827 -1.326 -11.213 397 HH11 ARG 46 1HH1 ARG 46 2.105 -2.702 -9.818 398 HH12 ARG 46 2HH1 ARG 46 1.527 -4.331 -9.946 399 HH21 ARG 46 1HH2 ARG 46 -1.545 -3.449 -11.367 400 HH22 ARG 46 2HH2 ARG 46 -0.534 -4.751 -10.820 401 H SER 47 H SER 47 -2.175 3.769 -8.895 402 HA SER 47 HA SER 47 -4.992 3.134 -9.242 403 HB2 SER 47 2HB SER 47 -4.925 3.870 -6.879 404 HB3 SER 47 3HB SER 47 -4.056 5.333 -7.333 405 HG SER 47 HG SER 47 -6.674 4.942 -7.239 406 H ASN 48 H ASN 48 -6.075 4.633 -10.535 407 HA ASN 48 HA ASN 48 -4.374 6.338 -12.254 408 HB2 ASN 48 2HB ASN 48 -7.180 5.267 -12.784 409 HB3 ASN 48 3HB ASN 48 -6.193 6.181 -13.919 410 HD21 ASN 48 1HD2 ASN 48 -7.353 3.575 -14.264 411 HD22 ASN 48 2HD2 ASN 48 -6.055 2.479 -14.566 412 H ASP 49 H ASP 49 -6.474 6.574 -9.668 413 HA ASP 49 HA ASP 49 -7.440 9.288 -10.396 414 HB2 ASP 49 2HB ASP 49 -9.275 7.712 -9.935 415 HB3 ASP 49 3HB ASP 49 -8.535 7.245 -8.405 416 H LYS 50 H LYS 50 -6.955 10.981 -9.059 417 HA LYS 50 HA LYS 50 -4.674 10.727 -7.358 418 HB2 LYS 50 2HB LYS 50 -6.404 13.160 -7.969 419 HB3 LYS 50 3HB LYS 50 -4.942 13.213 -6.992 420 HG2 LYS 50 2HG LYS 50 -5.172 12.619 -9.947 421 HG3 LYS 50 3HG LYS 50 -4.369 13.985 -9.173 422 HD2 LYS 50 2HD LYS 50 -3.475 11.079 -9.196 423 HD3 LYS 50 3HD LYS 50 -2.689 12.452 -9.964 424 HE2 LYS 50 2HE LYS 50 -2.888 11.946 -6.974 425 HE3 LYS 50 3HE LYS 50 -1.454 11.765 -7.983 426 HZ1 LYS 50 3HZ LYS 50 -2.878 14.309 -7.466 427 HZ2 LYS 50 1HZ LYS 50 -1.497 14.122 -8.413 428 HZ3 LYS 50 2HZ LYS 50 -1.428 13.822 -6.753 429 H ASN 51 H ASN 51 -8.134 11.193 -6.800 430 HA ASN 51 HA ASN 51 -7.959 11.946 -4.056 431 HB2 ASN 51 2HB ASN 51 -10.310 10.566 -5.439 432 HB3 ASN 51 3HB ASN 51 -10.365 11.510 -3.951 433 HD21 ASN 51 1HD2 ASN 51 -10.214 11.616 -7.409 434 HD22 ASN 51 2HD2 ASN 51 -10.504 13.315 -7.572 435 H GLU 52 H GLU 52 -8.138 8.874 -5.772 436 HA GLU 52 HA GLU 52 -8.542 7.227 -3.468 437 HB2 GLU 52 2HB GLU 52 -9.270 6.615 -5.812 438 HB3 GLU 52 3HB GLU 52 -7.577 6.361 -6.222 439 HG2 GLU 52 2HG GLU 52 -8.697 4.223 -5.722 440 HG3 GLU 52 3HG GLU 52 -7.413 4.553 -4.556 441 H VAL 53 H VAL 53 -5.680 7.856 -5.591 442 HA VAL 53 HA VAL 53 -3.969 6.088 -4.185 443 HB VAL 53 HB VAL 53 -3.556 6.846 -6.542 444 HG11 VAL 53 1HG1 VAL 53 -2.558 9.429 -5.310 445 HG12 VAL 53 2HG1 VAL 53 -3.996 9.247 -6.314 446 HG13 VAL 53 3HG1 VAL 53 -2.398 8.962 -7.009 447 HG21 VAL 53 3HG2 VAL 53 -1.206 7.243 -4.657 448 HG22 VAL 53 1HG2 VAL 53 -1.094 6.881 -6.383 449 HG23 VAL 53 2HG2 VAL 53 -1.788 5.697 -5.278 450 H ASP 54 H ASP 54 -4.686 9.521 -3.754 451 HA ASP 54 HA ASP 54 -2.668 10.103 -1.806 452 HB2 ASP 54 2HB ASP 54 -3.720 11.910 -3.070 453 HB3 ASP 54 3HB ASP 54 -5.311 11.474 -2.461 454 H ARG 55 H ARG 55 -6.002 8.928 -1.657 455 HA ARG 55 HA ARG 55 -6.474 9.086 1.114 456 HB2 ARG 55 2HB ARG 55 -8.295 8.674 -0.489 457 HB3 ARG 55 3HB ARG 55 -7.581 7.130 -0.947 458 HG2 ARG 55 2HG ARG 55 -8.023 6.209 1.276 459 HG3 ARG 55 3HG ARG 55 -8.614 7.774 1.837 460 HD2 ARG 55 2HD ARG 55 -10.463 7.627 0.153 461 HD3 ARG 55 3HD ARG 55 -9.894 6.008 -0.268 462 HE ARG 55 HE ARG 55 -10.641 5.192 1.785 463 HH11 ARG 55 1HH1 ARG 55 -11.314 8.636 1.513 464 HH12 ARG 55 2HH1 ARG 55 -12.441 8.646 2.828 465 HH21 ARG 55 1HH2 ARG 55 -12.086 5.232 3.533 466 HH22 ARG 55 2HH2 ARG 55 -12.880 6.708 3.978 467 H ILE 56 H ILE 56 -5.276 6.424 -0.902 468 HA ILE 56 HA ILE 56 -4.897 4.548 1.210 469 HB ILE 56 HB ILE 56 -3.685 4.582 -1.596 470 HG12 ILE 56 2HG1 ILE 56 -6.216 3.117 -0.697 471 HG13 ILE 56 3HG1 ILE 56 -6.247 4.696 -1.473 472 HG21 ILE 56 1HG2 ILE 56 -3.468 2.122 -1.314 473 HG22 ILE 56 2HG2 ILE 56 -4.033 2.270 0.349 474 HG23 ILE 56 3HG2 ILE 56 -2.504 3.008 -0.130 475 HD11 ILE 56 3HD1 ILE 56 -6.722 2.932 -3.053 476 HD12 ILE 56 1HD1 ILE 56 -5.175 2.159 -2.700 477 HD13 ILE 56 2HD1 ILE 56 -5.216 3.750 -3.467 478 H LEU 57 H LEU 57 -2.859 6.955 -0.379 479 HA LEU 57 HA LEU 57 -0.313 6.157 0.514 480 HB2 LEU 57 2HB LEU 57 -0.721 7.783 -1.320 481 HB3 LEU 57 3HB LEU 57 -1.318 8.948 -0.154 482 HG LEU 57 HG LEU 57 0.960 9.069 0.872 483 HD11 LEU 57 1HD1 LEU 57 1.826 7.238 -1.378 484 HD12 LEU 57 2HD1 LEU 57 1.788 6.847 0.345 485 HD13 LEU 57 3HD1 LEU 57 2.898 8.079 -0.250 486 HD21 LEU 57 3HD2 LEU 57 0.312 10.698 -0.834 487 HD22 LEU 57 1HD2 LEU 57 0.921 9.634 -2.108 488 HD23 LEU 57 2HD2 LEU 57 2.034 10.338 -0.930 489 H GLU 58 H GLU 58 -2.700 8.405 1.936 490 HA GLU 58 HA GLU 58 -1.039 8.997 4.233 491 HB2 GLU 58 2HB GLU 58 -2.878 10.374 5.011 492 HB3 GLU 58 3HB GLU 58 -2.626 10.674 3.298 493 HG2 GLU 58 2HG GLU 58 -4.557 9.102 2.833 494 HG3 GLU 58 3HG GLU 58 -4.870 9.068 4.568 495 H GLU 59 H GLU 59 -3.592 6.732 3.405 496 HA GLU 59 HA GLU 59 -4.547 6.142 6.006 497 HB2 GLU 59 2HB GLU 59 -5.801 5.638 3.909 498 HB3 GLU 59 3HB GLU 59 -4.630 4.384 3.517 499 HG2 GLU 59 2HG GLU 59 -6.660 3.383 4.443 500 HG3 GLU 59 3HG GLU 59 -5.300 3.112 5.530 501 H VAL 60 H VAL 60 -2.146 4.479 3.939 502 HA VAL 60 HA VAL 60 -1.511 2.425 5.784 503 HB VAL 60 HB VAL 60 -0.977 2.123 3.438 504 HG11 VAL 60 1HG1 VAL 60 1.018 4.396 3.675 505 HG12 VAL 60 2HG1 VAL 60 -0.502 4.435 2.782 506 HG13 VAL 60 3HG1 VAL 60 0.796 3.359 2.261 507 HG21 VAL 60 3HG2 VAL 60 1.359 1.307 3.583 508 HG22 VAL 60 1HG2 VAL 60 0.420 0.872 5.015 509 HG23 VAL 60 2HG2 VAL 60 1.576 2.205 5.085 510 H ARG 61 H ARG 61 -0.273 5.703 5.325 511 HA ARG 61 HA ARG 61 1.897 5.547 7.184 512 HB2 ARG 61 2HB ARG 61 0.380 7.926 6.040 513 HB3 ARG 61 3HB ARG 61 1.811 8.077 7.055 514 HG2 ARG 61 2HG ARG 61 3.135 6.832 5.371 515 HG3 ARG 61 3HG ARG 61 1.702 6.712 4.344 516 HD2 ARG 61 2HD ARG 61 3.181 8.531 3.589 517 HD3 ARG 61 3HD ARG 61 1.629 9.170 4.147 518 HE ARG 61 HE ARG 61 3.320 9.244 6.327 519 HH11 ARG 61 1HH1 ARG 61 3.259 10.785 3.169 520 HH12 ARG 61 2HH1 ARG 61 4.115 12.189 3.720 521 HH21 ARG 61 1HH2 ARG 61 4.429 11.076 7.024 522 HH22 ARG 61 2HH2 ARG 61 4.780 12.360 5.905 523 H ARG 62 H ARG 62 -1.547 6.218 7.506 524 HA ARG 62 HA ARG 62 -1.518 7.136 10.233 525 HB2 ARG 62 2HB ARG 62 -3.749 5.898 8.560 526 HB3 ARG 62 3HB ARG 62 -3.989 6.540 10.185 527 HG2 ARG 62 2HG ARG 62 -3.435 8.785 9.410 528 HG3 ARG 62 3HG ARG 62 -3.086 8.166 7.793 529 HD2 ARG 62 2HD ARG 62 -5.442 7.393 7.606 530 HD3 ARG 62 3HD ARG 62 -5.774 8.079 9.201 531 HE ARG 62 HE ARG 62 -4.687 9.970 7.349 532 HH11 ARG 62 1HH1 ARG 62 -7.680 8.457 8.392 533 HH12 ARG 62 2HH1 ARG 62 -8.676 9.753 7.831 534 HH21 ARG 62 1HH2 ARG 62 -6.035 11.666 6.606 535 HH22 ARG 62 2HH2 ARG 62 -7.749 11.558 6.827 536 H LYS 63 H LYS 63 -1.948 4.038 8.581 537 HA LYS 63 HA LYS 63 -3.066 2.672 10.840 538 HB2 LYS 63 2HB LYS 63 -3.417 2.252 8.250 539 HB3 LYS 63 3HB LYS 63 -1.965 1.274 8.375 540 HG2 LYS 63 2HG LYS 63 -3.815 -0.232 8.574 541 HG3 LYS 63 3HG LYS 63 -3.137 -0.064 10.200 542 HD2 LYS 63 2HD LYS 63 -5.582 0.041 10.325 543 HD3 LYS 63 3HD LYS 63 -4.911 1.619 10.746 544 HE2 LYS 63 2HE LYS 63 -5.321 2.250 8.262 545 HE3 LYS 63 3HE LYS 63 -6.306 0.789 8.182 546 HZ1 LYS 63 3HZ LYS 63 -7.696 1.682 9.938 547 HZ2 LYS 63 1HZ LYS 63 -7.622 2.754 8.633 548 HZ3 LYS 63 2HZ LYS 63 -6.735 3.064 10.032 549 H VAL 64 H VAL 64 0.079 2.739 9.218 550 HA VAL 64 HA VAL 64 1.326 1.076 11.293 551 HB VAL 64 HB VAL 64 2.311 -0.457 9.567 552 HG11 VAL 64 1HG1 VAL 64 0.361 -1.225 10.835 553 HG12 VAL 64 2HG1 VAL 64 0.279 -1.839 9.184 554 HG13 VAL 64 3HG1 VAL 64 -0.730 -0.474 9.667 555 HG21 VAL 64 3HG2 VAL 64 2.103 0.951 7.560 556 HG22 VAL 64 1HG2 VAL 64 0.345 0.824 7.631 557 HG23 VAL 64 2HG2 VAL 64 1.324 -0.611 7.300 558 HA PRO 65 HA PRO 65 4.330 4.278 10.139 559 HB2 PRO 65 2HB PRO 65 5.621 4.479 12.495 560 HB3 PRO 65 3HB PRO 65 3.913 4.962 12.344 561 HG2 PRO 65 2HG PRO 65 5.063 2.473 13.564 562 HG3 PRO 65 3HG PRO 65 3.659 3.438 14.072 563 HD2 PRO 65 2HD PRO 65 3.571 1.071 12.508 564 HD3 PRO 65 3HD PRO 65 2.232 2.210 12.763 565 H ASN 66 H ASN 66 5.209 1.011 11.101 566 HA ASN 66 HA ASN 66 8.074 1.310 10.705 567 HB2 ASN 66 2HB ASN 66 6.464 -1.277 10.911 568 HB3 ASN 66 3HB ASN 66 8.206 -1.092 11.113 569 HD21 ASN 66 1HD2 ASN 66 5.077 -0.505 12.540 570 HD22 ASN 66 2HD2 ASN 66 5.636 -0.235 14.152 571 H ALA 67 H ALA 67 5.322 0.653 8.766 572 HA ALA 67 HA ALA 67 6.640 -0.590 6.542 573 HB1 ALA 67 3HB ALA 67 4.244 -0.925 6.963 574 HB2 ALA 67 1HB ALA 67 4.497 -0.197 5.379 575 HB3 ALA 67 2HB ALA 67 3.939 0.796 6.725 576 H ARG 68 H ARG 68 8.185 0.541 5.528 577 HA ARG 68 HA ARG 68 8.393 3.341 5.193 578 HB2 ARG 68 2HB ARG 68 10.317 1.731 5.061 579 HB3 ARG 68 3HB ARG 68 9.678 1.117 3.542 580 HG2 ARG 68 2HG ARG 68 11.443 2.615 2.970 581 HG3 ARG 68 3HG ARG 68 9.941 3.468 2.598 582 HD2 ARG 68 2HD ARG 68 11.550 4.958 3.707 583 HD3 ARG 68 3HD ARG 68 10.124 4.720 4.726 584 HE ARG 68 HE ARG 68 12.122 2.822 5.391 585 HH11 ARG 68 1HH1 ARG 68 11.492 6.267 5.790 586 HH12 ARG 68 2HH1 ARG 68 12.443 6.381 7.236 587 HH21 ARG 68 1HH2 ARG 68 13.325 2.989 7.285 588 HH22 ARG 68 2HH2 ARG 68 13.482 4.521 8.089 589 H VAL 69 H VAL 69 6.791 4.382 4.158 590 HA VAL 69 HA VAL 69 5.455 3.298 1.768 591 HB VAL 69 HB VAL 69 4.759 5.678 3.561 592 HG11 VAL 69 1HG1 VAL 69 2.577 5.701 2.400 593 HG12 VAL 69 2HG1 VAL 69 3.134 4.421 1.322 594 HG13 VAL 69 3HG1 VAL 69 3.901 6.010 1.271 595 HG21 VAL 69 3HG2 VAL 69 3.513 2.905 3.429 596 HG22 VAL 69 1HG2 VAL 69 2.949 4.242 4.438 597 HG23 VAL 69 2HG2 VAL 69 4.532 3.518 4.735 598 H ARG 70 H ARG 70 6.437 3.887 -0.117 599 HA ARG 70 HA ARG 70 7.437 6.656 -0.438 600 HB2 ARG 70 2HB ARG 70 9.192 4.620 -0.186 601 HB3 ARG 70 3HB ARG 70 8.838 4.385 -1.890 602 HG2 ARG 70 2HG ARG 70 9.869 6.961 -0.654 603 HG3 ARG 70 3HG ARG 70 10.875 5.765 -1.462 604 HD2 ARG 70 2HD ARG 70 9.766 6.223 -3.592 605 HD3 ARG 70 3HD ARG 70 8.624 7.317 -2.806 606 HE ARG 70 HE ARG 70 11.183 8.268 -2.250 607 HH11 ARG 70 1HH1 ARG 70 9.159 7.876 -5.106 608 HH12 ARG 70 2HH1 ARG 70 9.889 9.205 -5.948 609 HH21 ARG 70 1HH2 ARG 70 12.079 10.039 -3.363 610 HH22 ARG 70 2HH2 ARG 70 11.536 10.426 -4.965 611 H GLU 71 H GLU 71 6.167 7.602 -1.865 612 HA GLU 71 HA GLU 71 4.565 6.248 -3.843 613 HB2 GLU 71 2HB GLU 71 3.638 8.173 -2.705 614 HB3 GLU 71 3HB GLU 71 5.037 9.160 -3.088 615 HG2 GLU 71 2HG GLU 71 3.065 9.802 -4.416 616 HG3 GLU 71 3HG GLU 71 4.401 9.261 -5.433 617 H THR 72 H THR 72 4.958 6.151 -6.024 618 HA THR 72 HA THR 72 7.308 7.417 -7.262 619 HB THR 72 HB THR 72 7.883 5.178 -8.369 620 HG1 THR 72 HG1 THR 72 5.700 4.375 -7.066 621 HG21 THR 72 3HG2 THR 72 9.295 6.009 -6.520 622 HG22 THR 72 1HG2 THR 72 9.163 4.247 -6.478 623 HG23 THR 72 2HG2 THR 72 8.229 5.229 -5.348 624 H GLU 73 H GLU 73 6.459 8.432 -8.970 625 HA GLU 73 HA GLU 73 4.030 7.366 -10.292 626 HB2 GLU 73 2HB GLU 73 3.376 9.653 -10.819 627 HB3 GLU 73 3HB GLU 73 3.637 9.494 -9.091 628 HG2 GLU 73 2HG GLU 73 5.544 10.804 -11.052 629 HG3 GLU 73 3HG GLU 73 4.428 11.652 -9.992 630 H THR 74 H THR 74 4.090 6.913 -12.375 631 HA THR 74 HA THR 74 6.528 7.076 -13.912 632 HB THR 74 HB THR 74 3.779 6.092 -14.811 633 HG1 THR 74 HG1 THR 74 5.445 5.078 -12.940 634 HG21 THR 74 3HG2 THR 74 5.386 6.404 -16.668 635 HG22 THR 74 1HG2 THR 74 5.072 4.688 -16.391 636 HG23 THR 74 2HG2 THR 74 6.574 5.415 -15.815 637 H GLY 75 H GLY 75 6.760 8.196 -15.930 638 HA2 GLY 75 2HA GLY 75 6.517 9.864 -17.478 639 HA3 GLY 75 3HA GLY 75 4.780 9.736 -17.226 640 H SER 76 H SER 76 7.500 10.761 -15.167 641 HA SER 76 HA SER 76 5.990 13.040 -14.173 642 HB2 SER 76 2HB SER 76 8.777 12.015 -13.459 643 HB3 SER 76 3HB SER 76 7.897 13.283 -12.597 644 HG SER 76 HG SER 76 7.787 10.822 -11.994 645 H LEU 77 H LEU 77 5.854 14.429 -15.949 646 HA LEU 77 HA LEU 77 8.147 15.454 -17.350 647 HB2 LEU 77 2HB LEU 77 5.263 16.403 -17.176 648 HB3 LEU 77 3HB LEU 77 6.484 17.281 -18.079 649 HG LEU 77 HG LEU 77 6.813 15.164 -19.493 650 HD11 LEU 77 1HD1 LEU 77 5.822 13.518 -17.980 651 HD12 LEU 77 2HD1 LEU 77 5.020 13.497 -19.549 652 HD13 LEU 77 3HD1 LEU 77 4.239 14.274 -18.168 653 HD21 LEU 77 3HD2 LEU 77 5.593 17.092 -20.355 654 HD22 LEU 77 1HD2 LEU 77 4.100 16.519 -19.605 655 HD23 LEU 77 2HD2 LEU 77 4.848 15.597 -20.913 656 H GLU 78 H GLU 78 9.628 16.353 -16.013 657 HA GLU 78 HA GLU 78 8.891 18.165 -13.841 658 HB2 GLU 78 2HB GLU 78 11.255 18.085 -13.225 659 HB3 GLU 78 3HB GLU 78 10.644 16.450 -13.465 660 HG2 GLU 78 2HG GLU 78 11.734 16.326 -15.660 661 HG3 GLU 78 3HG GLU 78 12.273 18.000 -15.509 662 H HIS 79 H HIS 79 10.700 20.046 -13.689 663 HA HIS 79 HA HIS 79 10.157 21.979 -15.685 664 HB2 HIS 79 2HB HIS 79 11.604 23.464 -14.423 665 HB3 HIS 79 3HB HIS 79 10.718 22.495 -13.258 666 HD1 HIS 79 HD1 HIS 79 13.884 23.839 -13.613 667 HD2 HIS 79 HD2 HIS 79 12.597 20.012 -12.644 668 HE1 HIS 79 HE1 HIS 79 15.824 22.748 -12.472 669 HE2 HIS 79 HE2 HIS 79 15.087 20.379 -12.085 670 H HIS 80 H HIS 80 11.484 22.818 -17.267 671 HA HIS 80 HA HIS 80 14.095 21.561 -17.830 672 HB2 HIS 80 2HB HIS 80 13.538 21.795 -20.330 673 HB3 HIS 80 3HB HIS 80 12.696 20.509 -19.469 674 HD1 HIS 80 HD1 HIS 80 12.060 24.016 -20.807 675 HD2 HIS 80 HD2 HIS 80 9.963 20.635 -19.612 676 HE1 HIS 80 HE1 HIS 80 9.659 24.475 -21.369 677 HE2 HIS 80 HE2 HIS 80 8.408 22.528 -20.394 678 H HIS 81 H HIS 81 15.559 22.928 -18.936 679 HA HIS 81 HA HIS 81 15.784 25.440 -17.739 680 HB2 HIS 81 2HB HIS 81 17.269 24.423 -20.202 681 HB3 HIS 81 3HB HIS 81 17.764 25.785 -19.204 682 HD1 HIS 81 HD1 HIS 81 18.462 22.338 -19.702 683 HD2 HIS 81 HD2 HIS 81 18.286 24.813 -16.368 684 HE1 HIS 81 HE1 HIS 81 19.848 21.205 -17.947 685 HE2 HIS 81 HE2 HIS 81 19.827 22.781 -15.987 686 H HIS 82 H HIS 82 15.298 27.474 -18.349 687 HA HIS 82 HA HIS 82 13.556 27.931 -20.644 688 HB2 HIS 82 2HB HIS 82 14.461 29.862 -18.459 689 HB3 HIS 82 3HB HIS 82 13.217 30.187 -19.664 690 HD1 HIS 82 HD1 HIS 82 13.179 29.739 -16.326 691 HD2 HIS 82 HD2 HIS 82 11.340 27.548 -19.343 692 HE1 HIS 82 HE1 HIS 82 11.280 28.518 -15.227 693 HE2 HIS 82 HE2 HIS 82 10.100 27.340 -17.096 694 H HIS 83 H HIS 83 16.845 27.926 -20.160 695 HA HIS 83 HA HIS 83 17.553 30.008 -22.081 696 HB2 HIS 83 2HB HIS 83 19.260 27.892 -20.689 697 HB3 HIS 83 3HB HIS 83 19.896 29.121 -21.775 698 HD1 HIS 83 HD1 HIS 83 21.143 30.694 -20.364 699 HD2 HIS 83 HD2 HIS 83 17.588 29.559 -18.553 700 HE1 HIS 83 HE1 HIS 83 21.058 31.954 -18.207 701 HE2 HIS 83 HE2 HIS 83 19.029 31.053 -17.035 702 H HIS 84 H HIS 84 18.133 29.635 -24.177 703 HA HIS 84 HA HIS 84 17.323 27.224 -25.516 704 HB2 HIS 84 2HB HIS 84 17.137 29.481 -26.569 705 HB3 HIS 84 3HB HIS 84 18.891 29.621 -26.589 706 HD1 HIS 84 HD1 HIS 84 20.121 27.669 -28.098 707 HD2 HIS 84 HD2 HIS 84 16.091 28.380 -28.853 708 HE1 HIS 84 HE1 HIS 84 19.682 26.734 -30.385 709 HE2 HIS 84 HE2 HIS 84 17.225 27.119 -30.792 Start of MODEL 20 1 H1 MET 1 1H MET 1 0.133 12.060 -18.279 2 H2 MET 1 2H MET 1 0.283 11.454 -16.710 3 H3 MET 1 3H MET 1 0.330 10.403 -18.026 4 HA MET 1 HA MET 1 2.362 11.391 -18.809 5 HB2 MET 1 2HB MET 1 2.178 13.032 -16.241 6 HB3 MET 1 3HB MET 1 3.557 13.014 -17.333 7 HG2 MET 1 2HG MET 1 2.243 14.051 -19.090 8 HG3 MET 1 3HG MET 1 0.782 13.954 -18.107 9 HE1 MET 1 3HE MET 1 1.499 16.584 -15.285 10 HE2 MET 1 1HE MET 1 1.765 14.844 -15.189 11 HE3 MET 1 2HE MET 1 0.312 15.474 -15.968 12 H GLY 2 H GLY 2 2.079 11.192 -15.237 13 HA2 GLY 2 2HA GLY 2 3.578 8.618 -15.227 14 HA3 GLY 2 3HA GLY 2 3.773 9.868 -14.004 15 H GLN 3 H GLN 3 2.353 6.962 -14.532 16 HA GLN 3 HA GLN 3 -0.160 7.262 -13.171 17 HB2 GLN 3 2HB GLN 3 0.219 5.366 -14.706 18 HB3 GLN 3 3HB GLN 3 1.548 4.782 -13.711 19 HG2 GLN 3 2HG GLN 3 -0.073 4.349 -11.856 20 HG3 GLN 3 3HG GLN 3 -1.383 4.878 -12.913 21 HE21 GLN 3 1HE2 GLN 3 -2.389 2.841 -12.695 22 HE22 GLN 3 2HE2 GLN 3 -1.797 1.432 -13.503 23 H TRP 4 H TRP 4 -0.603 6.972 -11.004 24 HA TRP 4 HA TRP 4 1.564 7.410 -9.144 25 HB2 TRP 4 2HB TRP 4 -1.429 7.097 -8.657 26 HB3 TRP 4 3HB TRP 4 -0.253 7.693 -7.486 27 HD1 TRP 4 HD1 TRP 4 1.042 10.080 -8.259 28 HE1 TRP 4 HE1 TRP 4 0.051 12.108 -9.481 29 HE3 TRP 4 HE3 TRP 4 -3.139 7.890 -10.275 30 HZ2 TRP 4 HZ2 TRP 4 -2.178 12.720 -11.051 31 HZ3 TRP 4 HZ3 TRP 4 -4.647 9.291 -11.631 32 HH2 TRP 4 HH2 TRP 4 -4.174 11.661 -12.001 33 H GLN 5 H GLN 5 2.661 5.841 -8.201 34 HA GLN 5 HA GLN 5 1.443 3.184 -7.664 35 HB2 GLN 5 2HB GLN 5 2.803 3.001 -9.692 36 HB3 GLN 5 3HB GLN 5 4.150 3.828 -8.924 37 HG2 GLN 5 2HG GLN 5 4.524 1.934 -7.440 38 HG3 GLN 5 3HG GLN 5 3.114 1.101 -8.098 39 HE21 GLN 5 1HE2 GLN 5 6.378 2.187 -8.806 40 HE22 GLN 5 2HE2 GLN 5 6.623 1.185 -10.187 41 H ILE 6 H ILE 6 1.411 3.060 -5.494 42 HA ILE 6 HA ILE 6 3.552 4.257 -3.839 43 HB ILE 6 HB ILE 6 0.701 3.436 -3.058 44 HG12 ILE 6 2HG1 ILE 6 1.892 6.220 -3.506 45 HG13 ILE 6 3HG1 ILE 6 0.741 5.409 -4.564 46 HG21 ILE 6 1HG2 ILE 6 1.144 4.590 -0.910 47 HG22 ILE 6 2HG2 ILE 6 2.807 4.900 -1.407 48 HG23 ILE 6 3HG2 ILE 6 2.259 3.242 -1.153 49 HD11 ILE 6 3HD1 ILE 6 -0.923 5.458 -2.789 50 HD12 ILE 6 1HD1 ILE 6 -0.347 7.066 -3.219 51 HD13 ILE 6 2HD1 ILE 6 0.227 6.297 -1.741 52 H LYS 7 H LYS 7 4.993 2.812 -3.123 53 HA LYS 7 HA LYS 7 4.250 -0.023 -2.810 54 HB2 LYS 7 2HB LYS 7 6.991 1.265 -3.105 55 HB3 LYS 7 3HB LYS 7 6.696 -0.463 -2.918 56 HG2 LYS 7 2HG LYS 7 5.421 -0.456 -5.061 57 HG3 LYS 7 3HG LYS 7 5.797 1.261 -5.253 58 HD2 LYS 7 2HD LYS 7 8.220 0.713 -5.270 59 HD3 LYS 7 3HD LYS 7 7.826 -1.001 -5.107 60 HE2 LYS 7 2HE LYS 7 6.618 -0.895 -7.276 61 HE3 LYS 7 3HE LYS 7 7.111 0.794 -7.444 62 HZ1 LYS 7 3HZ LYS 7 8.625 -0.565 -8.653 63 HZ2 LYS 7 1HZ LYS 7 8.885 -1.578 -7.328 64 HZ3 LYS 7 2HZ LYS 7 9.446 0.014 -7.295 65 H ILE 8 H ILE 8 3.831 -0.626 -0.825 66 HA ILE 8 HA ILE 8 4.889 0.786 1.543 67 HB ILE 8 HB ILE 8 2.784 -1.445 1.325 68 HG12 ILE 8 2HG1 ILE 8 2.247 1.536 1.742 69 HG13 ILE 8 3HG1 ILE 8 2.104 0.721 0.188 70 HG21 ILE 8 1HG2 ILE 8 3.829 -1.385 3.548 71 HG22 ILE 8 2HG2 ILE 8 2.153 -0.849 3.643 72 HG23 ILE 8 3HG2 ILE 8 3.460 0.336 3.704 73 HD11 ILE 8 3HD1 ILE 8 -0.051 1.013 1.237 74 HD12 ILE 8 1HD1 ILE 8 0.478 0.100 2.649 75 HD13 ILE 8 2HD1 ILE 8 0.337 -0.698 1.080 76 H TYR 9 H TYR 9 6.919 -0.054 1.949 77 HA TYR 9 HA TYR 9 7.527 -2.908 1.801 78 HB2 TYR 9 2HB TYR 9 9.294 -0.523 2.568 79 HB3 TYR 9 3HB TYR 9 9.851 -2.173 2.297 80 HD1 TYR 9 HD1 TYR 9 8.677 0.933 0.656 81 HD2 TYR 9 HD2 TYR 9 10.069 -3.058 0.011 82 HE1 TYR 9 HE1 TYR 9 9.046 1.444 -1.722 83 HE2 TYR 9 HE2 TYR 9 10.429 -2.546 -2.358 84 HH TYR 9 HH TYR 9 10.415 0.608 -3.591 85 H SER 10 H SER 10 7.089 -4.121 3.599 86 HA SER 10 HA SER 10 8.315 -3.222 6.112 87 HB2 SER 10 2HB SER 10 5.874 -2.813 6.436 88 HB3 SER 10 3HB SER 10 5.546 -4.503 6.050 89 HG SER 10 HG SER 10 6.330 -3.412 8.396 90 H GLU 11 H GLU 11 9.506 -4.746 7.010 91 HA GLU 11 HA GLU 11 10.033 -7.280 5.818 92 HB2 GLU 11 2HB GLU 11 11.672 -5.873 7.120 93 HB3 GLU 11 3HB GLU 11 10.787 -6.229 8.596 94 HG2 GLU 11 2HG GLU 11 11.399 -8.572 8.466 95 HG3 GLU 11 3HG GLU 11 12.117 -8.349 6.873 96 H ASN 12 H ASN 12 7.845 -6.138 8.242 97 HA ASN 12 HA ASN 12 7.363 -8.752 9.475 98 HB2 ASN 12 2HB ASN 12 7.722 -6.773 10.912 99 HB3 ASN 12 3HB ASN 12 6.350 -5.956 10.169 100 HD21 ASN 12 1HD2 ASN 12 5.456 -5.733 12.278 101 HD22 ASN 12 2HD2 ASN 12 4.679 -7.058 13.066 102 H GLU 13 H GLU 13 5.687 -9.965 9.012 103 HA GLU 13 HA GLU 13 3.826 -9.532 6.919 104 HB2 GLU 13 2HB GLU 13 2.854 -11.715 7.700 105 HB3 GLU 13 3HB GLU 13 4.598 -11.775 7.477 106 HG2 GLU 13 2HG GLU 13 4.909 -11.508 9.928 107 HG3 GLU 13 3HG GLU 13 3.163 -11.479 10.133 108 H ARG 14 H ARG 14 3.654 -8.952 10.373 109 HA ARG 14 HA ARG 14 0.868 -9.099 10.810 110 HB2 ARG 14 2HB ARG 14 2.455 -9.226 12.657 111 HB3 ARG 14 3HB ARG 14 3.059 -7.611 12.313 112 HG2 ARG 14 2HG ARG 14 1.628 -7.589 14.297 113 HG3 ARG 14 3HG ARG 14 0.902 -6.635 13.002 114 HD2 ARG 14 2HD ARG 14 -0.584 -8.575 12.462 115 HD3 ARG 14 3HD ARG 14 0.105 -9.447 13.840 116 HE ARG 14 HE ARG 14 -0.816 -6.967 14.746 117 HH11 ARG 14 1HH1 ARG 14 -2.227 -9.950 13.490 118 HH12 ARG 14 2HH1 ARG 14 -3.711 -9.737 14.360 119 HH21 ARG 14 1HH2 ARG 14 -2.754 -6.723 15.861 120 HH22 ARG 14 2HH2 ARG 14 -4.009 -7.908 15.699 121 H GLU 15 H GLU 15 2.930 -6.396 9.832 122 HA GLU 15 HA GLU 15 1.032 -4.303 10.169 123 HB2 GLU 15 2HB GLU 15 3.262 -4.201 8.100 124 HB3 GLU 15 3HB GLU 15 2.608 -2.886 9.064 125 HG2 GLU 15 2HG GLU 15 4.422 -5.116 10.027 126 HG3 GLU 15 3HG GLU 15 4.862 -3.431 9.773 127 H PHE 16 H PHE 16 2.054 -6.290 7.422 128 HA PHE 16 HA PHE 16 0.447 -5.145 5.407 129 HB2 PHE 16 2HB PHE 16 2.048 -7.681 5.683 130 HB3 PHE 16 3HB PHE 16 0.831 -7.651 4.409 131 HD1 PHE 16 HD2 PHE 16 3.129 -4.963 5.699 132 HD2 PHE 16 HD1 PHE 16 1.935 -7.392 2.390 133 HE1 PHE 16 HE2 PHE 16 4.666 -3.733 4.223 134 HE2 PHE 16 HE1 PHE 16 3.460 -6.155 0.935 135 HZ PHE 16 HZ PHE 16 4.824 -4.340 1.852 136 H ARG 17 H ARG 17 -0.225 -7.773 7.694 137 HA ARG 17 HA ARG 17 -2.463 -8.974 6.677 138 HB2 ARG 17 2HB ARG 17 -1.703 -8.271 9.522 139 HB3 ARG 17 3HB ARG 17 -3.294 -8.959 9.223 140 HG2 ARG 17 2HG ARG 17 -0.652 -10.263 8.517 141 HG3 ARG 17 3HG ARG 17 -1.685 -10.674 9.888 142 HD2 ARG 17 2HD ARG 17 -2.244 -11.087 6.940 143 HD3 ARG 17 3HD ARG 17 -2.137 -12.307 8.209 144 HE ARG 17 HE ARG 17 -4.265 -10.442 8.684 145 HH11 ARG 17 1HH1 ARG 17 -3.478 -13.354 6.845 146 HH12 ARG 17 2HH1 ARG 17 -5.135 -13.844 6.705 147 HH21 ARG 17 1HH2 ARG 17 -6.420 -11.061 8.410 148 HH22 ARG 17 2HH2 ARG 17 -6.802 -12.542 7.591 149 H GLU 18 H GLU 18 -2.428 -6.025 8.618 150 HA GLU 18 HA GLU 18 -5.208 -5.508 8.627 151 HB2 GLU 18 2HB GLU 18 -2.868 -3.604 9.084 152 HB3 GLU 18 3HB GLU 18 -4.540 -3.310 9.571 153 HG2 GLU 18 2HG GLU 18 -4.480 -5.099 11.179 154 HG3 GLU 18 3HG GLU 18 -2.935 -5.681 10.567 155 H LEU 19 H LEU 19 -2.558 -4.384 6.530 156 HA LEU 19 HA LEU 19 -4.097 -2.445 5.094 157 HB2 LEU 19 2HB LEU 19 -1.363 -3.659 4.639 158 HB3 LEU 19 3HB LEU 19 -2.115 -2.729 3.354 159 HG LEU 19 HG LEU 19 -0.623 -1.269 4.560 160 HD11 LEU 19 1HD1 LEU 19 -2.128 0.556 5.229 161 HD12 LEU 19 2HD1 LEU 19 -3.490 -0.563 5.299 162 HD13 LEU 19 3HD1 LEU 19 -2.699 -0.228 3.758 163 HD21 LEU 19 3HD2 LEU 19 -0.849 -0.762 6.957 164 HD22 LEU 19 1HD2 LEU 19 -0.458 -2.458 6.686 165 HD23 LEU 19 2HD2 LEU 19 -2.105 -1.990 7.113 166 H ILE 20 H ILE 20 -3.343 -5.844 4.483 167 HA ILE 20 HA ILE 20 -4.470 -6.047 1.879 168 HB ILE 20 HB ILE 20 -4.188 -8.217 4.034 169 HG12 ILE 20 2HG1 ILE 20 -2.003 -7.277 3.449 170 HG13 ILE 20 3HG1 ILE 20 -2.123 -8.903 2.809 171 HG21 ILE 20 1HG2 ILE 20 -5.818 -8.933 2.354 172 HG22 ILE 20 2HG2 ILE 20 -4.336 -9.871 2.196 173 HG23 ILE 20 3HG2 ILE 20 -4.683 -8.574 1.049 174 HD11 ILE 20 3HD1 ILE 20 -1.013 -7.490 1.243 175 HD12 ILE 20 1HD1 ILE 20 -2.333 -6.320 1.274 176 HD13 ILE 20 2HD1 ILE 20 -2.587 -7.921 0.577 177 H GLU 21 H GLU 21 -5.736 -6.518 5.151 178 HA GLU 21 HA GLU 21 -8.431 -7.192 4.463 179 HB2 GLU 21 2HB GLU 21 -7.167 -6.213 7.060 180 HB3 GLU 21 3HB GLU 21 -8.834 -6.770 6.929 181 HG2 GLU 21 2HG GLU 21 -8.060 -9.003 6.256 182 HG3 GLU 21 3HG GLU 21 -6.390 -8.450 6.302 183 H ARG 22 H ARG 22 -6.739 -4.151 4.777 184 HA ARG 22 HA ARG 22 -9.063 -2.449 4.981 185 HB2 ARG 22 2HB ARG 22 -6.121 -1.945 4.354 186 HB3 ARG 22 3HB ARG 22 -7.297 -0.659 4.117 187 HG2 ARG 22 2HG ARG 22 -6.733 -2.057 6.749 188 HG3 ARG 22 3HG ARG 22 -6.126 -0.472 6.271 189 HD2 ARG 22 2HD ARG 22 -9.030 -1.239 6.742 190 HD3 ARG 22 3HD ARG 22 -8.027 -0.184 7.744 191 HE ARG 22 HE ARG 22 -8.003 1.433 5.929 192 HH11 ARG 22 1HH1 ARG 22 -10.451 -1.077 5.627 193 HH12 ARG 22 2HH1 ARG 22 -11.438 -0.143 4.550 194 HH21 ARG 22 1HH2 ARG 22 -9.309 2.637 4.490 195 HH22 ARG 22 2HH2 ARG 22 -10.798 1.944 3.913 196 H LEU 23 H LEU 23 -6.824 -3.321 2.388 197 HA LEU 23 HA LEU 23 -7.842 -1.665 0.379 198 HB2 LEU 23 2HB LEU 23 -6.103 -4.159 0.261 199 HB3 LEU 23 3HB LEU 23 -6.440 -3.173 -1.151 200 HG LEU 23 HG LEU 23 -5.046 -2.132 1.347 201 HD11 LEU 23 1HD1 LEU 23 -2.947 -2.235 0.092 202 HD12 LEU 23 2HD1 LEU 23 -3.774 -2.991 -1.273 203 HD13 LEU 23 3HD1 LEU 23 -3.662 -3.838 0.271 204 HD21 LEU 23 3HD2 LEU 23 -4.427 -0.192 -0.063 205 HD22 LEU 23 1HD2 LEU 23 -6.175 -0.349 0.118 206 HD23 LEU 23 2HD2 LEU 23 -5.399 -0.842 -1.387 207 H GLU 24 H GLU 24 -8.473 -5.114 1.025 208 HA GLU 24 HA GLU 24 -9.899 -5.654 -1.375 209 HB2 GLU 24 2HB GLU 24 -9.910 -7.118 1.291 210 HB3 GLU 24 3HB GLU 24 -10.651 -7.739 -0.186 211 HG2 GLU 24 2HG GLU 24 -8.462 -7.735 -1.309 212 HG3 GLU 24 3HG GLU 24 -7.705 -7.089 0.148 213 H GLU 25 H GLU 25 -10.938 -4.247 1.642 214 HA GLU 25 HA GLU 25 -13.780 -4.659 1.140 215 HB2 GLU 25 2HB GLU 25 -12.479 -2.836 3.214 216 HB3 GLU 25 3HB GLU 25 -14.144 -3.410 3.209 217 HG2 GLU 25 2HG GLU 25 -11.657 -5.087 3.651 218 HG3 GLU 25 3HG GLU 25 -12.834 -4.611 4.866 219 H GLU 26 H GLU 26 -11.382 -2.332 0.288 220 HA GLU 26 HA GLU 26 -13.056 -0.025 0.079 221 HB2 GLU 26 2HB GLU 26 -10.300 -0.548 -1.098 222 HB3 GLU 26 3HB GLU 26 -11.123 1.007 -1.120 223 HG2 GLU 26 2HG GLU 26 -10.057 -0.500 1.268 224 HG3 GLU 26 3HG GLU 26 -9.603 1.108 0.700 225 H ARG 27 H ARG 27 -14.560 0.307 -1.316 226 HA ARG 27 HA ARG 27 -14.834 -1.216 -3.777 227 HB2 ARG 27 2HB ARG 27 -16.706 0.859 -2.533 228 HB3 ARG 27 3HB ARG 27 -17.115 -0.261 -3.825 229 HG2 ARG 27 2HG ARG 27 -16.463 -1.005 -0.956 230 HG3 ARG 27 3HG ARG 27 -18.070 -0.980 -1.683 231 HD2 ARG 27 2HD ARG 27 -17.330 -2.763 -3.272 232 HD3 ARG 27 3HD ARG 27 -15.773 -2.820 -2.432 233 HE ARG 27 HE ARG 27 -18.098 -3.217 -0.741 234 HH11 ARG 27 1HH1 ARG 27 -15.658 -4.853 -2.700 235 HH12 ARG 27 2HH1 ARG 27 -15.886 -6.378 -1.904 236 HH21 ARG 27 1HH2 ARG 27 -18.405 -5.244 0.231 237 HH22 ARG 27 2HH2 ARG 27 -17.431 -6.597 -0.250 238 HA PRO 28 HA PRO 28 -16.158 -0.881 -5.816 239 HB2 PRO 28 2HB PRO 28 -15.473 -0.853 -8.454 240 HB3 PRO 28 3HB PRO 28 -16.590 0.345 -7.767 241 HG2 PRO 28 2HG PRO 28 -13.661 0.636 -8.356 242 HG3 PRO 28 3HG PRO 28 -15.000 1.750 -8.723 243 HD2 PRO 28 2HD PRO 28 -13.363 2.075 -6.557 244 HD3 PRO 28 3HD PRO 28 -15.061 2.605 -6.567 245 H SER 29 H SER 29 -12.731 -0.366 -6.220 246 HA SER 29 HA SER 29 -11.930 -2.879 -5.276 247 HB2 SER 29 2HB SER 29 -10.813 -3.762 -7.383 248 HB3 SER 29 3HB SER 29 -12.574 -3.788 -7.470 249 HG SER 29 HG SER 29 -11.397 -1.463 -8.404 250 H VAL 30 H VAL 30 -9.497 -3.115 -5.562 251 HA VAL 30 HA VAL 30 -8.053 -0.673 -6.336 252 HB VAL 30 HB VAL 30 -8.299 -0.466 -3.902 253 HG11 VAL 30 1HG1 VAL 30 -8.696 -2.805 -3.342 254 HG12 VAL 30 2HG1 VAL 30 -7.429 -2.123 -2.328 255 HG13 VAL 30 3HG1 VAL 30 -7.004 -3.196 -3.664 256 HG21 VAL 30 3HG2 VAL 30 -5.921 -0.276 -3.239 257 HG22 VAL 30 1HG2 VAL 30 -6.184 0.334 -4.873 258 HG23 VAL 30 2HG2 VAL 30 -5.443 -1.250 -4.632 259 H GLN 31 H GLN 31 -6.193 -1.168 -7.447 260 HA GLN 31 HA GLN 31 -5.534 -4.018 -7.834 261 HB2 GLN 31 2HB GLN 31 -4.730 -1.566 -9.462 262 HB3 GLN 31 3HB GLN 31 -4.260 -3.218 -9.840 263 HG2 GLN 31 2HG GLN 31 -7.126 -2.211 -9.789 264 HG3 GLN 31 3HG GLN 31 -6.139 -2.357 -11.240 265 HE21 GLN 31 1HE2 GLN 31 -7.551 -3.809 -12.219 266 HE22 GLN 31 2HE2 GLN 31 -7.761 -5.434 -11.679 267 H TYR 32 H TYR 32 -4.072 -4.751 -6.469 268 HA TYR 32 HA TYR 32 -1.587 -3.270 -5.944 269 HB2 TYR 32 2HB TYR 32 -1.720 -3.572 -3.553 270 HB3 TYR 32 3HB TYR 32 -3.217 -2.805 -4.059 271 HD1 TYR 32 HD1 TYR 32 -5.369 -4.180 -4.098 272 HD2 TYR 32 HD2 TYR 32 -1.741 -5.747 -2.478 273 HE1 TYR 32 HE1 TYR 32 -6.635 -5.939 -2.934 274 HE2 TYR 32 HE2 TYR 32 -3.006 -7.496 -1.322 275 HH TYR 32 HH TYR 32 -5.284 -7.889 -0.509 276 H THR 33 H THR 33 0.155 -4.683 -5.191 277 HA THR 33 HA THR 33 -0.265 -7.597 -5.408 278 HB THR 33 HB THR 33 1.860 -6.090 -7.014 279 HG1 THR 33 HG1 THR 33 -0.435 -7.603 -7.783 280 HG21 THR 33 3HG2 THR 33 2.779 -8.240 -6.178 281 HG22 THR 33 1HG2 THR 33 2.488 -8.333 -7.917 282 HG23 THR 33 2HG2 THR 33 1.365 -9.096 -6.791 283 H GLU 34 H GLU 34 0.603 -8.523 -3.666 284 HA GLU 34 HA GLU 34 2.686 -7.227 -2.065 285 HB2 GLU 34 2HB GLU 34 0.723 -8.324 -0.967 286 HB3 GLU 34 3HB GLU 34 1.201 -9.870 -1.659 287 HG2 GLU 34 2HG GLU 34 3.353 -9.722 -0.361 288 HG3 GLU 34 3HG GLU 34 2.745 -8.255 0.408 289 H THR 35 H THR 35 4.685 -7.463 -2.905 290 HA THR 35 HA THR 35 5.590 -10.041 -4.029 291 HB THR 35 HB THR 35 6.845 -7.259 -4.212 292 HG1 THR 35 HG1 THR 35 4.911 -8.545 -5.678 293 HG21 THR 35 3HG2 THR 35 8.321 -8.245 -5.937 294 HG22 THR 35 1HG2 THR 35 7.620 -9.838 -5.636 295 HG23 THR 35 2HG2 THR 35 8.564 -9.033 -4.379 296 H THR 36 H THR 36 6.334 -11.272 -2.426 297 HA THR 36 HA THR 36 7.956 -10.209 -0.206 298 HB THR 36 HB THR 36 6.938 -13.056 -0.709 299 HG1 THR 36 HG1 THR 36 5.403 -11.142 -0.279 300 HG21 THR 36 3HG2 THR 36 7.393 -13.389 1.715 301 HG22 THR 36 1HG2 THR 36 8.079 -11.762 1.812 302 HG23 THR 36 2HG2 THR 36 8.867 -12.999 0.832 303 H ARG 37 H ARG 37 10.049 -9.986 -0.709 304 HA ARG 37 HA ARG 37 11.582 -12.057 -2.102 305 HB2 ARG 37 2HB ARG 37 10.703 -10.555 -3.891 306 HB3 ARG 37 3HB ARG 37 11.380 -9.157 -3.065 307 HG2 ARG 37 2HG ARG 37 13.657 -10.051 -3.450 308 HG3 ARG 37 3HG ARG 37 12.960 -11.436 -4.301 309 HD2 ARG 37 2HD ARG 37 13.749 -9.730 -5.889 310 HD3 ARG 37 3HD ARG 37 11.995 -9.912 -5.997 311 HE ARG 37 HE ARG 37 13.321 -7.719 -4.500 312 HH11 ARG 37 1HH1 ARG 37 10.778 -8.768 -6.702 313 HH12 ARG 37 2HH1 ARG 37 10.078 -7.187 -6.818 314 HH21 ARG 37 1HH2 ARG 37 12.368 -5.661 -4.668 315 HH22 ARG 37 2HH2 ARG 37 10.974 -5.436 -5.672 316 H ASN 38 H ASN 38 13.535 -12.231 -1.142 317 HA ASN 38 HA ASN 38 15.436 -11.886 0.050 318 HB2 ASN 38 2HB ASN 38 14.878 -8.903 -0.259 319 HB3 ASN 38 3HB ASN 38 16.417 -9.626 0.196 320 HD21 ASN 38 1HD2 ASN 38 15.411 -7.944 -2.126 321 HD22 ASN 38 2HD2 ASN 38 16.040 -8.757 -3.513 322 H GLY 39 H GLY 39 12.632 -11.751 1.331 323 HA2 GLY 39 2HA GLY 39 12.142 -12.101 3.599 324 HA3 GLY 39 3HA GLY 39 13.569 -11.192 4.067 325 H ARG 40 H ARG 40 12.303 -9.182 1.846 326 HA ARG 40 HA ARG 40 10.550 -7.779 3.770 327 HB2 ARG 40 2HB ARG 40 10.808 -5.763 2.443 328 HB3 ARG 40 3HB ARG 40 12.410 -6.432 2.712 329 HG2 ARG 40 2HG ARG 40 12.464 -7.310 0.426 330 HG3 ARG 40 3HG ARG 40 10.819 -6.737 0.143 331 HD2 ARG 40 2HD ARG 40 12.372 -5.203 -0.893 332 HD3 ARG 40 3HD ARG 40 11.632 -4.388 0.487 333 HE ARG 40 HE ARG 40 13.938 -5.435 1.501 334 HH11 ARG 40 1HH1 ARG 40 13.287 -3.298 -1.233 335 HH12 ARG 40 2HH1 ARG 40 14.817 -2.492 -1.113 336 HH21 ARG 40 1HH2 ARG 40 15.915 -4.361 1.656 337 HH22 ARG 40 2HH2 ARG 40 16.318 -3.100 0.535 338 H ARG 41 H ARG 41 8.439 -7.321 3.292 339 HA ARG 41 HA ARG 41 7.263 -8.370 0.784 340 HB2 ARG 41 2HB ARG 41 5.943 -7.461 3.392 341 HB3 ARG 41 3HB ARG 41 5.059 -7.939 1.951 342 HG2 ARG 41 2HG ARG 41 4.961 -9.788 3.415 343 HG3 ARG 41 3HG ARG 41 6.127 -10.231 2.172 344 HD2 ARG 41 2HD ARG 41 7.977 -9.716 3.729 345 HD3 ARG 41 3HD ARG 41 6.810 -9.254 4.974 346 HE ARG 41 HE ARG 41 5.999 -11.726 4.460 347 HH11 ARG 41 1HH1 ARG 41 9.285 -10.558 4.996 348 HH12 ARG 41 2HH1 ARG 41 9.824 -12.068 5.650 349 HH21 ARG 41 1HH2 ARG 41 6.739 -13.682 5.291 350 HH22 ARG 41 2HH2 ARG 41 8.384 -13.837 5.814 351 H GLN 42 H GLN 42 6.202 -6.881 -0.628 352 HA GLN 42 HA GLN 42 5.976 -4.064 0.212 353 HB2 GLN 42 2HB GLN 42 6.809 -3.250 -1.972 354 HB3 GLN 42 3HB GLN 42 8.046 -4.123 -1.080 355 HG2 GLN 42 2HG GLN 42 7.723 -6.087 -2.509 356 HG3 GLN 42 3HG GLN 42 6.427 -5.259 -3.372 357 HE21 GLN 42 1HE2 GLN 42 6.951 -3.581 -4.815 358 HE22 GLN 42 2HE2 GLN 42 8.557 -3.368 -5.417 359 H LEU 43 H LEU 43 4.054 -3.146 -0.322 360 HA LEU 43 HA LEU 43 2.209 -4.566 -2.144 361 HB2 LEU 43 2HB LEU 43 1.807 -2.441 0.003 362 HB3 LEU 43 3HB LEU 43 0.562 -2.741 -1.202 363 HG LEU 43 HG LEU 43 1.615 -4.778 0.775 364 HD11 LEU 43 1HD1 LEU 43 -0.561 -4.596 1.888 365 HD12 LEU 43 2HD1 LEU 43 -1.046 -3.322 0.768 366 HD13 LEU 43 3HD1 LEU 43 0.285 -3.048 1.893 367 HD21 LEU 43 3HD2 LEU 43 0.924 -5.807 -1.344 368 HD22 LEU 43 1HD2 LEU 43 -0.659 -5.041 -1.200 369 HD23 LEU 43 2HD2 LEU 43 -0.145 -6.250 -0.022 370 H THR 44 H THR 44 2.675 -3.956 -4.156 371 HA THR 44 HA THR 44 3.198 -1.182 -4.886 372 HB THR 44 HB THR 44 2.890 -3.692 -6.619 373 HG1 THR 44 HG1 THR 44 5.112 -3.832 -6.496 374 HG21 THR 44 3HG2 THR 44 2.576 -1.620 -7.936 375 HG22 THR 44 1HG2 THR 44 4.103 -2.398 -8.351 376 HG23 THR 44 2HG2 THR 44 4.095 -0.974 -7.308 377 H ILE 45 H ILE 45 1.400 0.025 -4.695 378 HA ILE 45 HA ILE 45 -1.264 -1.006 -5.513 379 HB ILE 45 HB ILE 45 -0.616 1.268 -3.555 380 HG12 ILE 45 2HG1 ILE 45 -1.549 -1.575 -2.913 381 HG13 ILE 45 3HG1 ILE 45 0.061 -0.933 -2.616 382 HG21 ILE 45 1HG2 ILE 45 -3.304 -0.041 -4.160 383 HG22 ILE 45 2HG2 ILE 45 -2.796 1.565 -4.686 384 HG23 ILE 45 3HG2 ILE 45 -3.011 1.231 -2.970 385 HD11 ILE 45 3HD1 ILE 45 -2.487 -0.010 -1.302 386 HD12 ILE 45 1HD1 ILE 45 -0.880 0.665 -1.019 387 HD13 ILE 45 2HD1 ILE 45 -1.224 -1.009 -0.586 388 H ARG 46 H ARG 46 -2.104 -0.065 -7.306 389 HA ARG 46 HA ARG 46 -1.274 2.671 -8.074 390 HB2 ARG 46 2HB ARG 46 -1.565 0.236 -9.896 391 HB3 ARG 46 3HB ARG 46 -1.450 1.888 -10.502 392 HG2 ARG 46 2HG ARG 46 0.785 2.120 -9.506 393 HG3 ARG 46 3HG ARG 46 0.669 0.495 -8.832 394 HD2 ARG 46 2HD ARG 46 0.660 1.150 -11.799 395 HD3 ARG 46 3HD ARG 46 2.062 0.589 -10.882 396 HE ARG 46 HE ARG 46 -0.403 -0.983 -11.346 397 HH11 ARG 46 1HH1 ARG 46 3.094 -0.893 -10.855 398 HH12 ARG 46 2HH1 ARG 46 3.279 -2.609 -11.033 399 HH21 ARG 46 1HH2 ARG 46 -0.136 -3.209 -11.578 400 HH22 ARG 46 2HH2 ARG 46 1.440 -3.914 -11.444 401 H SER 47 H SER 47 -2.846 3.999 -8.625 402 HA SER 47 HA SER 47 -5.588 3.031 -9.143 403 HB2 SER 47 2HB SER 47 -5.521 3.743 -6.768 404 HB3 SER 47 3HB SER 47 -4.827 5.294 -7.232 405 HG SER 47 HG SER 47 -7.168 5.241 -6.849 406 H ASN 48 H ASN 48 -6.812 4.408 -10.432 407 HA ASN 48 HA ASN 48 -5.357 5.993 -12.373 408 HB2 ASN 48 2HB ASN 48 -7.624 6.198 -13.498 409 HB3 ASN 48 3HB ASN 48 -7.071 4.543 -13.267 410 HD21 ASN 48 1HD2 ASN 48 -9.413 4.222 -13.700 411 HD22 ASN 48 2HD2 ASN 48 -10.488 4.222 -12.349 412 H ASP 49 H ASP 49 -6.828 6.672 -9.411 413 HA ASP 49 HA ASP 49 -7.478 9.479 -10.131 414 HB2 ASP 49 2HB ASP 49 -9.413 8.010 -9.402 415 HB3 ASP 49 3HB ASP 49 -8.637 7.832 -7.832 416 H LYS 50 H LYS 50 -6.551 11.110 -8.938 417 HA LYS 50 HA LYS 50 -4.130 10.500 -7.515 418 HB2 LYS 50 2HB LYS 50 -4.238 12.465 -8.990 419 HB3 LYS 50 3HB LYS 50 -5.513 13.171 -8.008 420 HG2 LYS 50 2HG LYS 50 -3.287 14.234 -7.645 421 HG3 LYS 50 3HG LYS 50 -3.981 13.563 -6.168 422 HD2 LYS 50 2HD LYS 50 -2.504 11.576 -6.388 423 HD3 LYS 50 3HD LYS 50 -1.808 12.259 -7.859 424 HE2 LYS 50 2HE LYS 50 -0.310 12.627 -5.971 425 HE3 LYS 50 3HE LYS 50 -0.940 14.178 -6.522 426 HZ1 LYS 50 3HZ LYS 50 -2.491 14.164 -4.683 427 HZ2 LYS 50 1HZ LYS 50 -0.914 13.975 -4.104 428 HZ3 LYS 50 2HZ LYS 50 -1.951 12.642 -4.184 429 H ASN 51 H ASN 51 -7.353 11.708 -6.561 430 HA ASN 51 HA ASN 51 -6.619 12.295 -3.840 431 HB2 ASN 51 2HB ASN 51 -9.392 11.911 -5.045 432 HB3 ASN 51 3HB ASN 51 -9.062 12.570 -3.445 433 HD21 ASN 51 1HD2 ASN 51 -6.756 14.189 -4.324 434 HD22 ASN 51 2HD2 ASN 51 -7.415 15.493 -5.240 435 H GLU 52 H GLU 52 -7.885 9.474 -5.520 436 HA GLU 52 HA GLU 52 -8.624 7.988 -3.169 437 HB2 GLU 52 2HB GLU 52 -9.621 7.543 -5.430 438 HB3 GLU 52 3HB GLU 52 -8.064 6.937 -5.985 439 HG2 GLU 52 2HG GLU 52 -9.589 5.094 -5.413 440 HG3 GLU 52 3HG GLU 52 -8.169 5.096 -4.368 441 H VAL 53 H VAL 53 -5.801 7.981 -5.362 442 HA VAL 53 HA VAL 53 -4.401 5.902 -3.995 443 HB VAL 53 HB VAL 53 -4.061 6.748 -6.435 444 HG11 VAL 53 1HG1 VAL 53 -2.316 8.394 -6.845 445 HG12 VAL 53 2HG1 VAL 53 -2.129 8.670 -5.115 446 HG13 VAL 53 3HG1 VAL 53 -3.634 9.111 -5.920 447 HG21 VAL 53 3HG2 VAL 53 -1.759 5.906 -6.537 448 HG22 VAL 53 1HG2 VAL 53 -2.738 4.927 -5.443 449 HG23 VAL 53 2HG2 VAL 53 -1.593 6.098 -4.793 450 H ASP 54 H ASP 54 -4.499 9.413 -3.676 451 HA ASP 54 HA ASP 54 -2.337 9.769 -1.842 452 HB2 ASP 54 2HB ASP 54 -3.199 11.645 -3.183 453 HB3 ASP 54 3HB ASP 54 -4.777 11.518 -2.416 454 H ARG 55 H ARG 55 -5.796 9.190 -1.515 455 HA ARG 55 HA ARG 55 -6.119 9.415 1.263 456 HB2 ARG 55 2HB ARG 55 -8.031 9.245 -0.252 457 HB3 ARG 55 3HB ARG 55 -7.543 7.629 -0.757 458 HG2 ARG 55 2HG ARG 55 -7.998 6.782 1.515 459 HG3 ARG 55 3HG ARG 55 -8.477 8.403 2.023 460 HD2 ARG 55 2HD ARG 55 -10.370 8.378 0.526 461 HD3 ARG 55 3HD ARG 55 -9.844 6.853 -0.199 462 HE ARG 55 HE ARG 55 -10.829 7.196 2.569 463 HH11 ARG 55 1HH1 ARG 55 -10.290 5.128 -0.235 464 HH12 ARG 55 2HH1 ARG 55 -11.116 3.772 0.474 465 HH21 ARG 55 1HH2 ARG 55 -11.862 5.425 3.491 466 HH22 ARG 55 2HH2 ARG 55 -12.012 3.943 2.597 467 H ILE 56 H ILE 56 -5.099 6.672 -0.754 468 HA ILE 56 HA ILE 56 -4.788 4.767 1.351 469 HB ILE 56 HB ILE 56 -3.500 4.830 -1.427 470 HG12 ILE 56 2HG1 ILE 56 -5.999 3.335 -0.473 471 HG13 ILE 56 3HG1 ILE 56 -6.021 4.813 -1.423 472 HG21 ILE 56 1HG2 ILE 56 -2.246 3.321 0.070 473 HG22 ILE 56 2HG2 ILE 56 -3.119 2.399 -1.152 474 HG23 ILE 56 3HG2 ILE 56 -3.739 2.479 0.498 475 HD11 ILE 56 3HD1 ILE 56 -4.955 2.139 -2.311 476 HD12 ILE 56 1HD1 ILE 56 -4.910 3.626 -3.263 477 HD13 ILE 56 2HD1 ILE 56 -6.457 2.910 -2.817 478 H LEU 57 H LEU 57 -2.609 7.132 -0.173 479 HA LEU 57 HA LEU 57 -0.125 6.299 0.840 480 HB2 LEU 57 2HB LEU 57 -0.387 7.976 -0.986 481 HB3 LEU 57 3HB LEU 57 -1.019 9.133 0.168 482 HG LEU 57 HG LEU 57 1.192 9.136 1.347 483 HD11 LEU 57 1HD1 LEU 57 1.987 6.930 0.795 484 HD12 LEU 57 2HD1 LEU 57 3.167 8.142 0.304 485 HD13 LEU 57 3HD1 LEU 57 2.140 7.368 -0.910 486 HD21 LEU 57 3HD2 LEU 57 1.389 9.840 -1.598 487 HD22 LEU 57 1HD2 LEU 57 2.427 10.456 -0.307 488 HD23 LEU 57 2HD2 LEU 57 0.714 10.864 -0.328 489 H GLU 58 H GLU 58 -2.363 8.778 2.105 490 HA GLU 58 HA GLU 58 -0.844 9.333 4.450 491 HB2 GLU 58 2HB GLU 58 -2.888 10.551 5.233 492 HB3 GLU 58 3HB GLU 58 -2.341 11.044 3.638 493 HG2 GLU 58 2HG GLU 58 -4.149 9.936 2.556 494 HG3 GLU 58 3HG GLU 58 -4.566 9.030 4.005 495 H GLU 59 H GLU 59 -3.581 7.168 3.748 496 HA GLU 59 HA GLU 59 -4.405 6.724 6.403 497 HB2 GLU 59 2HB GLU 59 -5.852 6.277 4.428 498 HB3 GLU 59 3HB GLU 59 -4.852 4.887 4.009 499 HG2 GLU 59 2HG GLU 59 -5.468 3.806 6.148 500 HG3 GLU 59 3HG GLU 59 -6.453 5.205 6.569 501 H VAL 60 H VAL 60 -2.291 4.774 4.275 502 HA VAL 60 HA VAL 60 -1.857 2.618 6.006 503 HB VAL 60 HB VAL 60 -1.161 2.381 3.705 504 HG11 VAL 60 1HG1 VAL 60 -0.506 4.693 3.207 505 HG12 VAL 60 2HG1 VAL 60 0.739 3.552 2.697 506 HG13 VAL 60 3HG1 VAL 60 0.958 4.502 4.171 507 HG21 VAL 60 3HG2 VAL 60 1.086 1.387 3.980 508 HG22 VAL 60 1HG2 VAL 60 0.057 1.010 5.362 509 HG23 VAL 60 2HG2 VAL 60 1.302 2.254 5.501 510 H ARG 61 H ARG 61 -0.124 5.698 5.766 511 HA ARG 61 HA ARG 61 1.885 5.117 7.710 512 HB2 ARG 61 2HB ARG 61 0.863 7.734 6.533 513 HB3 ARG 61 3HB ARG 61 2.247 7.633 7.614 514 HG2 ARG 61 2HG ARG 61 3.463 6.253 6.013 515 HG3 ARG 61 3HG ARG 61 2.071 6.239 4.925 516 HD2 ARG 61 2HD ARG 61 2.286 8.609 4.502 517 HD3 ARG 61 3HD ARG 61 3.508 8.780 5.770 518 HE ARG 61 HE ARG 61 4.744 7.055 4.216 519 HH11 ARG 61 1HH1 ARG 61 2.977 9.925 3.205 520 HH12 ARG 61 2HH1 ARG 61 3.961 10.174 1.801 521 HH21 ARG 61 1HH2 ARG 61 6.016 7.417 2.396 522 HH22 ARG 61 2HH2 ARG 61 5.677 8.749 1.345 523 H ARG 62 H ARG 62 -1.359 6.505 7.880 524 HA ARG 62 HA ARG 62 -1.203 7.493 10.575 525 HB2 ARG 62 2HB ARG 62 -3.584 6.921 8.748 526 HB3 ARG 62 3HB ARG 62 -3.761 7.604 10.362 527 HG2 ARG 62 2HG ARG 62 -2.260 8.879 8.057 528 HG3 ARG 62 3HG ARG 62 -3.865 9.330 8.624 529 HD2 ARG 62 2HD ARG 62 -1.273 9.590 10.188 530 HD3 ARG 62 3HD ARG 62 -2.194 10.903 9.446 531 HE ARG 62 HE ARG 62 -4.031 9.811 11.076 532 HH11 ARG 62 1HH1 ARG 62 -0.724 10.856 11.715 533 HH12 ARG 62 2HH1 ARG 62 -1.042 11.249 13.372 534 HH21 ARG 62 1HH2 ARG 62 -4.427 10.355 13.265 535 HH22 ARG 62 2HH2 ARG 62 -3.131 10.965 14.245 536 H LYS 63 H LYS 63 -2.211 4.450 9.098 537 HA LYS 63 HA LYS 63 -3.368 3.332 11.513 538 HB2 LYS 63 2HB LYS 63 -2.609 1.964 8.880 539 HB3 LYS 63 3HB LYS 63 -3.543 1.222 10.172 540 HG2 LYS 63 2HG LYS 63 -4.403 3.607 8.520 541 HG3 LYS 63 3HG LYS 63 -4.961 1.950 8.296 542 HD2 LYS 63 2HD LYS 63 -6.065 1.986 10.476 543 HD3 LYS 63 3HD LYS 63 -5.396 3.584 10.827 544 HE2 LYS 63 2HE LYS 63 -6.685 4.544 8.959 545 HE3 LYS 63 3HE LYS 63 -7.350 2.948 8.588 546 HZ1 LYS 63 3HZ LYS 63 -8.793 4.451 9.953 547 HZ2 LYS 63 1HZ LYS 63 -7.697 4.264 11.226 548 HZ3 LYS 63 2HZ LYS 63 -8.531 2.919 10.618 549 H VAL 64 H VAL 64 -0.375 3.032 9.680 550 HA VAL 64 HA VAL 64 1.017 1.844 11.952 551 HB VAL 64 HB VAL 64 0.354 -0.155 10.820 552 HG11 VAL 64 1HG1 VAL 64 -0.340 0.745 8.675 553 HG12 VAL 64 2HG1 VAL 64 0.725 -0.643 8.444 554 HG13 VAL 64 3HG1 VAL 64 1.338 0.997 8.196 555 HG21 VAL 64 3HG2 VAL 64 3.232 0.423 10.006 556 HG22 VAL 64 1HG2 VAL 64 2.499 -1.180 10.157 557 HG23 VAL 64 2HG2 VAL 64 2.690 -0.159 11.581 558 HA PRO 65 HA PRO 65 3.799 5.098 10.157 559 HB2 PRO 65 2HB PRO 65 5.150 5.578 12.501 560 HB3 PRO 65 3HB PRO 65 3.553 6.275 12.162 561 HG2 PRO 65 2HG PRO 65 4.230 3.840 13.786 562 HG3 PRO 65 3HG PRO 65 3.131 5.183 14.183 563 HD2 PRO 65 2HD PRO 65 2.195 2.830 13.232 564 HD3 PRO 65 3HD PRO 65 1.430 4.379 12.808 565 H ASN 66 H ASN 66 4.323 1.992 11.487 566 HA ASN 66 HA ASN 66 7.186 1.823 11.201 567 HB2 ASN 66 2HB ASN 66 5.086 -0.369 11.532 568 HB3 ASN 66 3HB ASN 66 6.831 -0.607 11.639 569 HD21 ASN 66 1HD2 ASN 66 7.912 0.036 13.505 570 HD22 ASN 66 2HD2 ASN 66 7.093 0.570 14.930 571 H ALA 67 H ALA 67 4.479 1.438 9.067 572 HA ALA 67 HA ALA 67 5.705 -0.205 7.073 573 HB1 ALA 67 3HB ALA 67 3.259 0.011 7.238 574 HB2 ALA 67 1HB ALA 67 3.815 0.529 5.647 575 HB3 ALA 67 2HB ALA 67 3.362 1.731 6.857 576 H ARG 68 H ARG 68 7.466 0.416 5.916 577 HA ARG 68 HA ARG 68 8.247 3.151 5.422 578 HB2 ARG 68 2HB ARG 68 9.956 1.375 5.570 579 HB3 ARG 68 3HB ARG 68 9.205 0.492 4.252 580 HG2 ARG 68 2HG ARG 68 11.205 1.543 3.418 581 HG3 ARG 68 3HG ARG 68 9.817 2.349 2.696 582 HD2 ARG 68 2HD ARG 68 10.088 4.267 4.119 583 HD3 ARG 68 3HD ARG 68 11.282 3.434 5.123 584 HE ARG 68 HE ARG 68 11.845 3.961 2.266 585 HH11 ARG 68 1HH1 ARG 68 12.636 4.569 5.646 586 HH12 ARG 68 2HH1 ARG 68 14.147 5.337 5.274 587 HH21 ARG 68 1HH2 ARG 68 13.868 4.934 1.809 588 HH22 ARG 68 2HH2 ARG 68 14.839 5.544 3.113 589 H VAL 69 H VAL 69 6.812 4.290 4.176 590 HA VAL 69 HA VAL 69 5.618 3.014 1.789 591 HB VAL 69 HB VAL 69 4.743 5.567 3.243 592 HG11 VAL 69 1HG1 VAL 69 3.327 3.915 1.114 593 HG12 VAL 69 2HG1 VAL 69 4.061 5.504 0.880 594 HG13 VAL 69 3HG1 VAL 69 2.663 5.328 1.941 595 HG21 VAL 69 3HG2 VAL 69 2.924 4.212 4.215 596 HG22 VAL 69 1HG2 VAL 69 4.499 3.582 4.700 597 HG23 VAL 69 2HG2 VAL 69 3.570 2.759 3.446 598 H ARG 70 H ARG 70 6.737 3.426 -0.010 599 HA ARG 70 HA ARG 70 7.776 6.140 -0.568 600 HB2 ARG 70 2HB ARG 70 9.629 4.537 0.062 601 HB3 ARG 70 3HB ARG 70 9.172 3.504 -1.280 602 HG2 ARG 70 2HG ARG 70 9.938 6.384 -1.790 603 HG3 ARG 70 3HG ARG 70 11.188 5.177 -1.517 604 HD2 ARG 70 2HD ARG 70 10.477 3.919 -3.479 605 HD3 ARG 70 3HD ARG 70 9.077 4.968 -3.695 606 HE ARG 70 HE ARG 70 10.585 6.782 -4.260 607 HH11 ARG 70 1HH1 ARG 70 12.016 3.564 -4.401 608 HH12 ARG 70 2HH1 ARG 70 13.274 4.060 -5.489 609 HH21 ARG 70 1HH2 ARG 70 12.204 7.385 -5.695 610 HH22 ARG 70 2HH2 ARG 70 13.376 6.221 -6.215 611 H GLU 71 H GLU 71 6.923 6.920 -2.406 612 HA GLU 71 HA GLU 71 5.592 5.078 -4.297 613 HB2 GLU 71 2HB GLU 71 4.356 7.393 -4.935 614 HB3 GLU 71 3HB GLU 71 3.776 6.338 -3.661 615 HG2 GLU 71 2HG GLU 71 3.695 8.684 -2.982 616 HG3 GLU 71 3HG GLU 71 4.786 7.754 -1.961 617 H THR 72 H THR 72 5.751 5.390 -6.450 618 HA THR 72 HA THR 72 7.813 7.153 -7.610 619 HB THR 72 HB THR 72 8.374 5.172 -9.159 620 HG1 THR 72 HG1 THR 72 6.325 4.079 -7.961 621 HG21 THR 72 3HG2 THR 72 8.998 4.706 -6.214 622 HG22 THR 72 1HG2 THR 72 9.929 5.726 -7.314 623 HG23 THR 72 2HG2 THR 72 9.854 3.985 -7.578 624 H GLU 73 H GLU 73 6.983 8.213 -9.380 625 HA GLU 73 HA GLU 73 4.323 7.547 -10.387 626 HB2 GLU 73 2HB GLU 73 6.243 9.757 -11.278 627 HB3 GLU 73 3HB GLU 73 4.578 9.567 -11.817 628 HG2 GLU 73 2HG GLU 73 4.512 11.293 -10.206 629 HG3 GLU 73 3HG GLU 73 3.873 9.874 -9.383 630 H THR 74 H THR 74 4.328 5.752 -11.614 631 HA THR 74 HA THR 74 6.487 4.750 -13.104 632 HB THR 74 HB THR 74 3.561 4.077 -13.547 633 HG1 THR 74 HG1 THR 74 5.384 3.275 -11.526 634 HG21 THR 74 3HG2 THR 74 6.084 2.424 -13.941 635 HG22 THR 74 1HG2 THR 74 5.070 3.088 -15.227 636 HG23 THR 74 2HG2 THR 74 4.435 1.838 -14.157 637 H GLY 75 H GLY 75 7.176 5.250 -15.030 638 HA2 GLY 75 2HA GLY 75 5.832 5.951 -17.354 639 HA3 GLY 75 3HA GLY 75 6.318 7.448 -16.547 640 H SER 76 H SER 76 7.590 7.694 -18.464 641 HA SER 76 HA SER 76 10.308 7.288 -18.286 642 HB2 SER 76 2HB SER 76 9.789 4.839 -18.707 643 HB3 SER 76 3HB SER 76 9.104 5.293 -20.270 644 HG SER 76 HG SER 76 11.613 6.322 -19.894 645 H LEU 77 H LEU 77 7.470 7.932 -20.148 646 HA LEU 77 HA LEU 77 8.588 8.761 -22.604 647 HB2 LEU 77 2HB LEU 77 5.903 9.484 -21.361 648 HB3 LEU 77 3HB LEU 77 6.333 9.721 -23.049 649 HG LEU 77 HG LEU 77 6.039 7.035 -21.639 650 HD11 LEU 77 1HD1 LEU 77 4.277 8.305 -23.762 651 HD12 LEU 77 2HD1 LEU 77 3.875 8.100 -22.056 652 HD13 LEU 77 3HD1 LEU 77 4.084 6.685 -23.083 653 HD21 LEU 77 3HD2 LEU 77 6.380 5.998 -23.849 654 HD22 LEU 77 1HD2 LEU 77 7.804 6.891 -23.320 655 HD23 LEU 77 2HD2 LEU 77 6.737 7.581 -24.544 656 H GLU 78 H GLU 78 10.287 10.105 -22.088 657 HA GLU 78 HA GLU 78 9.861 12.735 -20.894 658 HB2 GLU 78 2HB GLU 78 12.290 13.041 -21.290 659 HB3 GLU 78 3HB GLU 78 11.966 11.554 -20.408 660 HG2 GLU 78 2HG GLU 78 12.341 10.214 -22.390 661 HG3 GLU 78 3HG GLU 78 12.479 11.649 -23.402 662 H HIS 79 H HIS 79 10.793 14.645 -22.163 663 HA HIS 79 HA HIS 79 10.787 14.644 -25.016 664 HB2 HIS 79 2HB HIS 79 8.763 16.003 -25.433 665 HB3 HIS 79 3HB HIS 79 8.340 14.441 -24.749 666 HD1 HIS 79 HD1 HIS 79 6.938 17.473 -24.651 667 HD2 HIS 79 HD2 HIS 79 8.408 15.114 -21.560 668 HE1 HIS 79 HE1 HIS 79 5.704 18.210 -22.595 669 HE2 HIS 79 HE2 HIS 79 6.718 16.882 -20.726 670 H HIS 80 H HIS 80 11.186 16.748 -25.901 671 HA HIS 80 HA HIS 80 11.908 18.912 -24.046 672 HB2 HIS 80 2HB HIS 80 14.127 19.202 -25.163 673 HB3 HIS 80 3HB HIS 80 14.012 17.667 -24.318 674 HD1 HIS 80 HD1 HIS 80 14.384 15.564 -25.674 675 HD2 HIS 80 HD2 HIS 80 14.107 18.953 -28.071 676 HE1 HIS 80 HE1 HIS 80 15.100 14.833 -27.964 677 HE2 HIS 80 HE2 HIS 80 15.124 16.933 -29.329 678 H HIS 81 H HIS 81 12.163 20.961 -25.128 679 HA HIS 81 HA HIS 81 10.333 21.447 -27.289 680 HB2 HIS 81 2HB HIS 81 12.410 23.347 -26.085 681 HB3 HIS 81 3HB HIS 81 11.024 23.809 -27.070 682 HD1 HIS 81 HD1 HIS 81 8.867 24.270 -25.833 683 HD2 HIS 81 HD2 HIS 81 11.681 22.361 -23.435 684 HE1 HIS 81 HE1 HIS 81 7.907 24.284 -23.516 685 HE2 HIS 81 HE2 HIS 81 9.578 23.062 -22.102 686 H HIS 82 H HIS 82 10.888 22.267 -29.405 687 HA HIS 82 HA HIS 82 13.621 21.779 -30.367 688 HB2 HIS 82 2HB HIS 82 12.585 19.580 -30.623 689 HB3 HIS 82 3HB HIS 82 11.166 20.281 -31.400 690 HD1 HIS 82 HD1 HIS 82 11.191 20.119 -33.853 691 HD2 HIS 82 HD2 HIS 82 15.042 20.124 -32.306 692 HE1 HIS 82 HE1 HIS 82 12.705 19.825 -35.827 693 HE2 HIS 82 HE2 HIS 82 15.031 19.896 -34.876 694 H HIS 83 H HIS 83 13.826 23.915 -30.849 695 HA HIS 83 HA HIS 83 12.562 24.720 -33.404 696 HB2 HIS 83 2HB HIS 83 13.286 26.562 -31.077 697 HB3 HIS 83 3HB HIS 83 12.992 27.146 -32.711 698 HD1 HIS 83 HD1 HIS 83 10.709 27.985 -33.035 699 HD2 HIS 83 HD2 HIS 83 10.806 25.051 -30.096 700 HE1 HIS 83 HE1 HIS 83 8.371 27.845 -32.143 701 HE2 HIS 83 HE2 HIS 83 8.412 25.911 -30.550 702 H HIS 84 H HIS 84 15.251 26.081 -31.465 703 HA HIS 84 HA HIS 84 17.321 24.843 -33.073 704 HB2 HIS 84 2HB HIS 84 16.891 27.871 -33.171 705 HB3 HIS 84 3HB HIS 84 18.449 27.132 -33.528 706 HD1 HIS 84 HD1 HIS 84 18.064 25.058 -35.458 707 HD2 HIS 84 HD2 HIS 84 15.561 28.378 -35.477 708 HE1 HIS 84 HE1 HIS 84 17.041 25.114 -37.751 709 HE2 HIS 84 HE2 HIS 84 15.431 27.036 -37.687
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