NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
615219 | 5gvq | 36018 | cing | 1-original | 9 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 1H GLY 1 0.150 24.080 7.624 2 H2 GLY 1 2H GLY 1 1.685 23.601 7.943 3 H3 GLY 1 3H GLY 1 0.612 23.775 9.167 4 HA2 GLY 1 1HA GLY 1 -0.729 21.957 8.348 5 HA3 GLY 1 2HA GLY 1 0.411 21.780 7.001 6 H SER 2 H SER 2 -0.382 19.886 9.187 7 HA SER 2 HA SER 2 1.448 19.689 11.261 8 HB2 SER 2 1HB SER 2 0.056 17.378 9.861 9 HB3 SER 2 2HB SER 2 0.657 17.407 11.531 10 HG SER 2 HG SER 2 -1.599 17.840 11.415 11 H SER 3 H SER 3 2.019 18.630 7.939 12 HA SER 3 HA SER 3 4.188 16.863 8.325 13 HB2 SER 3 1HB SER 3 3.858 18.880 6.072 14 HB3 SER 3 2HB SER 3 4.761 17.353 6.024 15 HG SER 3 HG SER 3 2.662 17.190 5.071 16 H GLY 4 H GLY 4 4.105 20.357 8.712 17 HA2 GLY 4 1HA GLY 4 7.028 20.718 8.629 18 HA3 GLY 4 2HA GLY 4 5.796 21.934 8.964 19 H SER 5 H SER 5 4.876 19.593 11.062 20 HA SER 5 HA SER 5 5.960 21.050 13.307 21 HB2 SER 5 1HB SER 5 4.239 18.550 13.250 22 HB3 SER 5 2HB SER 5 4.558 19.569 14.664 23 HG SER 5 HG SER 5 2.597 20.164 13.712 24 H SER 6 H SER 6 7.325 18.440 11.635 25 HA SER 6 HA SER 6 9.354 18.096 13.730 26 HB2 SER 6 1HB SER 6 7.601 16.315 14.152 27 HB3 SER 6 2HB SER 6 8.001 15.637 12.561 28 HG SER 6 HG SER 6 9.188 14.670 14.307 29 H GLY 7 H GLY 7 11.313 17.090 12.919 30 HA2 GLY 7 1HA GLY 7 11.961 17.983 10.232 31 HA3 GLY 7 2HA GLY 7 13.062 17.226 11.375 32 HA PRO 8 HA PRO 8 11.635 14.081 8.049 33 HB2 PRO 8 1HB PRO 8 13.436 14.369 6.030 34 HB3 PRO 8 2HB PRO 8 11.961 15.378 6.146 35 HG2 PRO 8 1HG PRO 8 14.766 16.075 7.088 36 HG3 PRO 8 2HG PRO 8 13.673 17.055 6.057 37 HD2 PRO 8 1HD PRO 8 13.858 17.441 8.754 38 HD3 PRO 8 2HD PRO 8 12.302 17.623 7.887 39 H ILE 9 H ILE 9 12.779 12.099 7.519 40 HA ILE 9 HA ILE 9 15.517 11.737 8.486 41 HB ILE 9 HB ILE 9 14.062 11.328 10.469 42 HG12 ILE 9 1HG1 ILE 9 14.977 9.201 11.206 43 HG13 ILE 9 2HG1 ILE 9 15.486 8.802 9.573 44 HG21 ILE 9 1HG2 ILE 9 12.982 8.911 8.963 45 HG22 ILE 9 2HG2 ILE 9 12.636 9.373 10.638 46 HG23 ILE 9 3HG2 ILE 9 12.073 10.397 9.315 47 HD11 ILE 9 1HD1 ILE 9 17.104 10.666 9.593 48 HD12 ILE 9 2HD1 ILE 9 16.489 11.197 11.179 49 HD13 ILE 9 3HD1 ILE 9 17.333 9.644 11.018 50 H SER 10 H SER 10 16.624 10.025 7.525 51 HA SER 10 HA SER 10 15.665 9.115 4.975 52 HB2 SER 10 1HB SER 10 18.045 8.131 6.590 53 HB3 SER 10 2HB SER 10 17.777 7.910 4.849 54 HG SER 10 HG SER 10 19.167 9.689 5.293 55 H GLU 11 H GLU 11 15.393 7.714 8.157 56 HA GLU 11 HA GLU 11 15.500 4.963 7.532 57 HB2 GLU 11 1HB GLU 11 15.789 5.965 9.760 58 HB3 GLU 11 2HB GLU 11 14.069 6.371 9.820 59 HG2 GLU 11 1HG GLU 11 13.468 3.998 9.782 60 HG3 GLU 11 2HG GLU 11 15.153 3.536 9.525 61 H ARG 12 H ARG 12 14.113 3.466 6.841 62 HA ARG 12 HA ARG 12 11.379 4.206 5.932 63 HB2 ARG 12 1HB ARG 12 12.918 1.610 5.557 64 HB3 ARG 12 2HB ARG 12 11.426 2.077 4.756 65 HG2 ARG 12 1HG ARG 12 14.182 3.322 4.316 66 HG3 ARG 12 2HG ARG 12 13.313 2.227 3.253 67 HD2 ARG 12 1HD ARG 12 12.889 4.234 2.226 68 HD3 ARG 12 2HD ARG 12 11.449 4.025 3.220 69 HE ARG 12 HE ARG 12 13.748 5.623 4.276 70 HH11 ARG 12 1HH1 ARG 12 10.282 7.439 3.550 71 HH12 ARG 12 2HH1 ARG 12 10.388 5.729 3.195 72 HH21 ARG 12 1HH2 ARG 12 13.460 7.665 4.813 73 HH22 ARG 12 2HH2 ARG 12 11.963 8.504 4.518 74 H ASN 13 H ASN 13 9.498 3.026 6.558 75 HA ASN 13 HA ASN 13 9.771 1.349 9.031 76 HB2 ASN 13 1HB ASN 13 9.493 3.714 9.699 77 HB3 ASN 13 2HB ASN 13 8.012 3.817 8.748 78 HD21 ASN 13 1HD2 ASN 13 9.445 2.592 11.734 79 HD22 ASN 13 2HD2 ASN 13 7.922 2.024 12.403 80 H GLN 14 H GLN 14 8.502 -0.386 9.140 81 HA GLN 14 HA GLN 14 6.758 -1.018 6.901 82 HB2 GLN 14 1HB GLN 14 7.734 -2.547 9.330 83 HB3 GLN 14 2HB GLN 14 6.530 -3.214 8.230 84 HG2 GLN 14 1HG GLN 14 8.050 -2.968 6.316 85 HG3 GLN 14 2HG GLN 14 9.296 -2.292 7.375 86 HE21 GLN 14 1HE2 GLN 14 7.244 -5.293 6.954 87 HE22 GLN 14 2HE2 GLN 14 8.502 -6.343 7.590 88 H ASP 15 H ASP 15 5.982 0.502 9.890 89 HA ASP 15 HA ASP 15 3.157 -0.464 9.761 90 HB2 ASP 15 1HB ASP 15 4.556 1.361 11.745 91 HB3 ASP 15 2HB ASP 15 2.851 0.924 11.776 92 H ALA 16 H ALA 16 5.141 2.441 9.202 93 HA ALA 16 HA ALA 16 2.897 4.015 8.185 94 HB1 ALA 16 1HB ALA 16 4.898 5.016 9.276 95 HB2 ALA 16 2HB ALA 16 5.894 4.449 7.911 96 HB3 ALA 16 3HB ALA 16 4.609 5.643 7.644 97 H THR 17 H THR 17 4.833 1.488 6.861 98 HA THR 17 HA THR 17 4.006 2.155 4.085 99 HB THR 17 HB THR 17 5.716 -0.173 4.981 100 HG1 THR 17 1HG THR 17 6.825 1.680 5.341 101 HG21 THR 17 1HG2 THR 17 5.246 1.059 2.221 102 HG22 THR 17 2HG2 THR 17 4.685 -0.541 2.757 103 HG23 THR 17 3HG2 THR 17 6.415 -0.215 2.589 104 H VAL 18 H VAL 18 2.396 1.159 3.059 105 HA VAL 18 HA VAL 18 0.973 -1.085 4.427 106 HB VAL 18 HB VAL 18 -0.995 -0.591 3.238 107 HG11 VAL 18 1HG1 VAL 18 -0.512 0.850 5.220 108 HG12 VAL 18 2HG1 VAL 18 0.144 2.093 4.132 109 HG13 VAL 18 3HG1 VAL 18 -1.559 1.640 4.025 110 HG21 VAL 18 1HG2 VAL 18 0.507 1.561 1.730 111 HG22 VAL 18 2HG2 VAL 18 -0.151 0.064 1.028 112 HG23 VAL 18 3HG2 VAL 18 -1.242 1.296 1.669 113 H TYR 19 H TYR 19 0.474 -2.913 3.288 114 HA TYR 19 HA TYR 19 2.056 -3.557 0.836 115 HB2 TYR 19 1HB TYR 19 2.437 -5.145 2.579 116 HB3 TYR 19 2HB TYR 19 0.743 -5.178 3.038 117 HD1 TYR 19 1HD TYR 19 3.192 -6.362 0.503 118 HD2 TYR 19 2HD TYR 19 -0.890 -6.543 1.889 119 HE1 TYR 19 1HE TYR 19 2.804 -8.378 -0.900 120 HE2 TYR 19 2HE TYR 19 -1.285 -8.538 0.449 121 HH TYR 19 HH TYR 19 1.308 -9.978 -1.564 122 H VAL 20 H VAL 20 1.010 -4.088 -1.022 123 HA VAL 20 HA VAL 20 -1.973 -4.229 -1.094 124 HB VAL 20 HB VAL 20 -0.280 -2.791 -3.179 125 HG11 VAL 20 1HG1 VAL 20 -3.293 -3.033 -2.756 126 HG12 VAL 20 2HG1 VAL 20 -2.503 -2.067 -4.014 127 HG13 VAL 20 3HG1 VAL 20 -2.366 -3.835 -4.023 128 HG21 VAL 20 1HG2 VAL 20 -2.055 -1.570 -1.031 129 HG22 VAL 20 2HG2 VAL 20 -0.291 -1.400 -1.163 130 HG23 VAL 20 3HG2 VAL 20 -1.329 -0.706 -2.406 131 H GLY 21 H GLY 21 -2.306 -6.335 -1.576 132 HA2 GLY 21 1HA GLY 21 -0.573 -7.727 -3.586 133 HA3 GLY 21 2HA GLY 21 -1.583 -8.506 -2.378 134 H GLY 22 H GLY 22 -1.426 -8.602 -5.425 135 HA2 GLY 22 1HA GLY 22 -3.145 -9.633 -6.724 136 HA3 GLY 22 2HA GLY 22 -4.388 -8.771 -5.816 137 H LEU 23 H LEU 23 -1.468 -7.388 -7.319 138 HA LEU 23 HA LEU 23 -2.999 -5.201 -8.496 139 HB2 LEU 23 1HB LEU 23 -0.044 -5.942 -8.611 140 HB3 LEU 23 2HB LEU 23 -0.734 -4.444 -9.226 141 HG LEU 23 HG LEU 23 -0.652 -5.325 -6.307 142 HD11 LEU 23 1HD1 LEU 23 0.906 -3.475 -6.058 143 HD12 LEU 23 2HD1 LEU 23 0.777 -3.084 -7.785 144 HD13 LEU 23 3HD1 LEU 23 1.503 -4.621 -7.276 145 HD21 LEU 23 1HD2 LEU 23 -1.373 -2.869 -5.968 146 HD22 LEU 23 2HD2 LEU 23 -2.613 -4.034 -6.459 147 HD23 LEU 23 3HD2 LEU 23 -1.929 -2.917 -7.647 148 H ASP 24 H ASP 24 -3.246 -4.731 -10.647 149 HA ASP 24 HA ASP 24 -3.080 -6.996 -12.499 150 HB2 ASP 24 1HB ASP 24 -5.122 -5.578 -12.382 151 HB3 ASP 24 2HB ASP 24 -4.171 -4.176 -12.887 152 H GLU 25 H GLU 25 -2.115 -6.763 -14.690 153 HA GLU 25 HA GLU 25 0.582 -5.883 -14.638 154 HB2 GLU 25 1HB GLU 25 0.631 -6.448 -16.987 155 HB3 GLU 25 2HB GLU 25 -0.232 -7.678 -16.068 156 HG2 GLU 25 1HG GLU 25 -2.405 -6.725 -16.832 157 HG3 GLU 25 2HG GLU 25 -1.540 -5.490 -17.749 158 H LYS 26 H LYS 26 -2.286 -4.001 -15.394 159 HA LYS 26 HA LYS 26 -0.813 -1.814 -16.678 160 HB2 LYS 26 1HB LYS 26 -3.651 -2.043 -15.609 161 HB3 LYS 26 2HB LYS 26 -3.013 -0.633 -16.467 162 HG2 LYS 26 1HG LYS 26 -2.461 -2.067 -18.425 163 HG3 LYS 26 2HG LYS 26 -3.186 -3.457 -17.622 164 HD2 LYS 26 1HD LYS 26 -4.614 -0.885 -18.405 165 HD3 LYS 26 2HD LYS 26 -4.693 -2.411 -19.281 166 HE2 LYS 26 1HE LYS 26 -5.725 -1.914 -16.455 167 HE3 LYS 26 2HE LYS 26 -6.707 -2.001 -17.921 168 HZ1 LYS 26 1HZ LYS 26 -5.852 -4.333 -18.178 169 HZ2 LYS 26 2HZ LYS 26 -6.784 -4.123 -16.853 170 HZ3 LYS 26 3HZ LYS 26 -5.167 -4.219 -16.683 171 H VAL 27 H VAL 27 -1.039 -2.727 -13.408 172 HA VAL 27 HA VAL 27 -0.999 -0.049 -12.238 173 HB VAL 27 HB VAL 27 -0.307 -2.747 -11.020 174 HG11 VAL 27 1HG1 VAL 27 -0.677 -1.608 -8.854 175 HG12 VAL 27 2HG1 VAL 27 0.736 -0.994 -9.683 176 HG13 VAL 27 3HG1 VAL 27 -0.764 -0.050 -9.680 177 HG21 VAL 27 1HG2 VAL 27 -2.851 -1.057 -10.859 178 HG22 VAL 27 2HG2 VAL 27 -2.680 -2.608 -11.707 179 HG23 VAL 27 3HG2 VAL 27 -2.552 -2.547 -9.949 180 H SER 28 H SER 28 0.709 1.145 -11.509 181 HA SER 28 HA SER 28 3.480 0.096 -11.719 182 HB2 SER 28 1HB SER 28 4.247 2.106 -12.816 183 HB3 SER 28 2HB SER 28 2.961 1.382 -13.791 184 HG SER 28 HG SER 28 2.600 3.604 -13.597 185 H GLU 29 H GLU 29 5.057 1.418 -10.451 186 HA GLU 29 HA GLU 29 4.109 2.047 -7.852 187 HB2 GLU 29 1HB GLU 29 6.687 2.527 -9.357 188 HB3 GLU 29 2HB GLU 29 6.464 3.325 -7.813 189 HG2 GLU 29 1HG GLU 29 6.672 1.426 -6.605 190 HG3 GLU 29 2HG GLU 29 5.752 0.466 -7.738 191 HA PRO 30 HA PRO 30 4.069 6.752 -9.091 192 HB2 PRO 30 1HB PRO 30 3.411 6.378 -12.019 193 HB3 PRO 30 2HB PRO 30 4.221 7.759 -11.212 194 HG2 PRO 30 1HG PRO 30 5.704 5.934 -12.533 195 HG3 PRO 30 2HG PRO 30 6.235 6.484 -10.907 196 HD2 PRO 30 1HD PRO 30 4.726 3.963 -11.638 197 HD3 PRO 30 2HD PRO 30 6.147 4.165 -10.575 198 H LEU 31 H LEU 31 1.959 4.243 -10.597 199 HA LEU 31 HA LEU 31 -0.467 5.830 -10.397 200 HB2 LEU 31 1HB LEU 31 -0.310 3.809 -11.872 201 HB3 LEU 31 2HB LEU 31 -0.130 2.804 -10.438 202 HG LEU 31 HG LEU 31 -2.427 3.720 -9.635 203 HD11 LEU 31 1HD1 LEU 31 -3.896 4.514 -11.441 204 HD12 LEU 31 2HD1 LEU 31 -2.520 4.528 -12.569 205 HD13 LEU 31 3HD1 LEU 31 -2.556 5.641 -11.179 206 HD21 LEU 31 1HD2 LEU 31 -2.170 2.028 -12.140 207 HD22 LEU 31 2HD2 LEU 31 -3.628 2.143 -11.129 208 HD23 LEU 31 3HD2 LEU 31 -2.144 1.469 -10.444 209 H LEU 32 H LEU 32 0.975 3.218 -8.377 210 HA LEU 32 HA LEU 32 -0.964 3.294 -6.314 211 HB2 LEU 32 1HB LEU 32 2.021 2.730 -5.988 212 HB3 LEU 32 2HB LEU 32 0.738 2.336 -4.846 213 HG LEU 32 HG LEU 32 1.230 1.100 -7.553 214 HD11 LEU 32 1HD1 LEU 32 2.562 0.267 -5.625 215 HD12 LEU 32 2HD1 LEU 32 1.429 -0.955 -6.235 216 HD13 LEU 32 3HD1 LEU 32 1.047 -0.066 -4.742 217 HD21 LEU 32 1HD2 LEU 32 -0.746 -0.389 -6.933 218 HD22 LEU 32 2HD2 LEU 32 -1.175 1.269 -7.391 219 HD23 LEU 32 3HD2 LEU 32 -1.150 0.788 -5.672 220 H TRP 33 H TRP 33 2.004 5.259 -6.634 221 HA TRP 33 HA TRP 33 1.808 6.630 -4.171 222 HB2 TRP 33 1HB TRP 33 3.685 6.595 -5.899 223 HB3 TRP 33 2HB TRP 33 2.806 7.799 -6.806 224 HD1 TRP 33 HD TRP 33 2.038 9.759 -4.342 225 HE1 TRP 33 1HE TRP 33 3.893 11.093 -3.157 226 HE3 TRP 33 3HE TRP 33 6.030 6.985 -5.806 227 HZ2 TRP 33 2HZ TRP 33 6.775 10.969 -2.903 228 HZ3 TRP 33 3HZ TRP 33 8.354 7.601 -5.093 229 HH2 TRP 33 HH TRP 33 8.723 9.590 -3.644 230 H GLU 34 H GLU 34 0.753 7.897 -7.355 231 HA GLU 34 HA GLU 34 -0.643 10.131 -6.258 232 HB2 GLU 34 1HB GLU 34 -0.902 8.744 -8.963 233 HB3 GLU 34 2HB GLU 34 -1.677 10.282 -8.546 234 HG2 GLU 34 1HG GLU 34 0.606 11.169 -7.922 235 HG3 GLU 34 2HG GLU 34 1.317 9.729 -8.639 236 H LEU 35 H LEU 35 -1.839 6.874 -6.907 237 HA LEU 35 HA LEU 35 -4.637 7.494 -6.543 238 HB2 LEU 35 1HB LEU 35 -3.520 5.411 -7.653 239 HB3 LEU 35 2HB LEU 35 -3.328 4.818 -5.997 240 HG LEU 35 HG LEU 35 -5.890 5.197 -5.821 241 HD11 LEU 35 1HD1 LEU 35 -6.180 6.486 -7.905 242 HD12 LEU 35 2HD1 LEU 35 -7.126 4.991 -7.928 243 HD13 LEU 35 3HD1 LEU 35 -5.606 5.089 -8.844 244 HD21 LEU 35 1HD2 LEU 35 -6.343 2.978 -6.768 245 HD22 LEU 35 2HD2 LEU 35 -4.851 2.993 -5.824 246 HD23 LEU 35 3HD2 LEU 35 -4.770 3.011 -7.604 247 H PHE 36 H PHE 36 -2.037 6.562 -4.271 248 HA PHE 36 HA PHE 36 -3.919 6.259 -2.023 249 HB2 PHE 36 1HB PHE 36 -0.999 5.708 -2.475 250 HB3 PHE 36 2HB PHE 36 -1.603 5.836 -0.872 251 HD1 PHE 36 1HD PHE 36 -2.254 3.881 0.224 252 HD2 PHE 36 2HD PHE 36 -2.554 4.026 -4.064 253 HE1 PHE 36 1HE PHE 36 -3.057 1.533 0.195 254 HE2 PHE 36 2HE PHE 36 -3.261 1.656 -4.101 255 HZ PHE 36 HZ PHE 36 -3.565 0.417 -1.965 256 H LEU 37 H LEU 37 -2.133 8.883 -3.333 257 HA LEU 37 HA LEU 37 -1.758 10.553 -1.093 258 HB2 LEU 37 1HB LEU 37 -2.643 11.081 -3.947 259 HB3 LEU 37 2HB LEU 37 -2.434 12.398 -2.797 260 HG LEU 37 HG LEU 37 -0.239 10.534 -3.735 261 HD11 LEU 37 1HD1 LEU 37 -0.684 13.505 -4.189 262 HD12 LEU 37 2HD1 LEU 37 -1.015 12.236 -5.383 263 HD13 LEU 37 3HD1 LEU 37 0.647 12.515 -4.831 264 HD21 LEU 37 1HD2 LEU 37 -0.157 12.874 -1.802 265 HD22 LEU 37 2HD2 LEU 37 1.274 12.086 -2.520 266 HD23 LEU 37 3HD2 LEU 37 0.210 11.175 -1.441 267 H GLN 38 H GLN 38 -4.757 9.460 -2.392 268 HA GLN 38 HA GLN 38 -6.568 11.409 -1.308 269 HB2 GLN 38 1HB GLN 38 -7.042 8.427 -1.755 270 HB3 GLN 38 2HB GLN 38 -8.277 9.687 -1.608 271 HG2 GLN 38 1HG GLN 38 -7.359 10.775 -3.679 272 HG3 GLN 38 2HG GLN 38 -6.195 9.440 -3.791 273 HE21 GLN 38 1HE2 GLN 38 -6.916 7.368 -4.463 274 HE22 GLN 38 2HE2 GLN 38 -8.533 7.131 -5.147 275 H ALA 39 H ALA 39 -4.933 8.625 0.142 276 HA ALA 39 HA ALA 39 -6.522 8.658 2.602 277 HB1 ALA 39 1HB ALA 39 -5.418 6.603 1.653 278 HB2 ALA 39 2HB ALA 39 -3.852 7.333 1.997 279 HB3 ALA 39 3HB ALA 39 -4.957 6.960 3.334 280 H GLY 40 H GLY 40 -3.218 9.679 1.666 281 HA2 GLY 40 1HA GLY 40 -3.093 11.980 3.347 282 HA3 GLY 40 2HA GLY 40 -2.328 10.615 4.168 283 HA PRO 41 HA PRO 41 0.726 12.748 1.303 284 HB2 PRO 41 1HB PRO 41 2.718 13.238 3.129 285 HB3 PRO 41 2HB PRO 41 1.322 14.324 2.859 286 HG2 PRO 41 1HG PRO 41 1.616 12.183 4.988 287 HG3 PRO 41 2HG PRO 41 1.123 13.891 5.205 288 HD2 PRO 41 1HD PRO 41 -0.681 11.865 5.022 289 HD3 PRO 41 2HD PRO 41 -1.029 13.436 4.242 290 H VAL 42 H VAL 42 1.429 11.150 0.066 291 HA VAL 42 HA VAL 42 2.809 8.763 1.114 292 HB VAL 42 HB VAL 42 2.131 9.564 -1.732 293 HG11 VAL 42 1HG1 VAL 42 2.672 7.179 -2.253 294 HG12 VAL 42 2HG1 VAL 42 4.089 8.081 -1.745 295 HG13 VAL 42 3HG1 VAL 42 3.294 6.976 -0.605 296 HG21 VAL 42 1HG2 VAL 42 0.121 9.009 -0.392 297 HG22 VAL 42 2HG2 VAL 42 0.452 7.773 -1.605 298 HG23 VAL 42 3HG2 VAL 42 0.875 7.477 0.095 299 H VAL 43 H VAL 43 4.879 8.435 1.107 300 HA VAL 43 HA VAL 43 6.750 10.644 0.376 301 HB VAL 43 HB VAL 43 7.257 8.317 2.265 302 HG11 VAL 43 1HG1 VAL 43 9.254 9.616 1.646 303 HG12 VAL 43 2HG1 VAL 43 8.430 11.126 2.109 304 HG13 VAL 43 3HG1 VAL 43 8.825 9.914 3.340 305 HG21 VAL 43 1HG2 VAL 43 6.049 11.011 3.007 306 HG22 VAL 43 2HG2 VAL 43 5.264 9.418 3.122 307 HG23 VAL 43 3HG2 VAL 43 6.653 9.772 4.140 308 H ASN 44 H ASN 44 6.179 7.193 -0.059 309 HA ASN 44 HA ASN 44 8.203 6.878 -2.157 310 HB2 ASN 44 1HB ASN 44 9.649 6.770 -0.244 311 HB3 ASN 44 2HB ASN 44 8.503 5.840 0.684 312 HD21 ASN 44 1HD2 ASN 44 9.492 3.962 1.147 313 HD22 ASN 44 2HD2 ASN 44 10.257 2.929 -0.074 314 H THR 45 H THR 45 8.091 4.749 -3.154 315 HA THR 45 HA THR 45 5.867 2.929 -2.448 316 HB THR 45 HB THR 45 5.407 2.666 -4.964 317 HG1 THR 45 1HG THR 45 7.156 4.056 -5.605 318 HG21 THR 45 1HG2 THR 45 3.676 4.265 -5.030 319 HG22 THR 45 2HG2 THR 45 4.441 5.274 -3.767 320 HG23 THR 45 3HG2 THR 45 3.789 3.664 -3.377 321 H HIS 46 H HIS 46 6.151 0.766 -3.229 322 HA HIS 46 HA HIS 46 8.631 0.176 -4.743 323 HB2 HIS 46 1HB HIS 46 9.007 0.052 -2.145 324 HB3 HIS 46 2HB HIS 46 8.004 -1.377 -2.215 325 HD2 HIS 46 2HD HIS 46 11.511 -0.171 -2.980 326 HE1 HIS 46 1HE HIS 46 11.372 -4.189 -4.410 327 HE2 HIS 46 2HE HIS 46 12.899 -2.212 -3.909 328 H MET 47 H MET 47 8.253 -1.357 -6.278 329 HA MET 47 HA MET 47 6.205 -3.476 -5.734 330 HB2 MET 47 1HB MET 47 6.431 -1.831 -8.262 331 HB3 MET 47 2HB MET 47 5.713 -3.442 -8.224 332 HG2 MET 47 1HG MET 47 4.023 -2.792 -6.688 333 HG3 MET 47 2HG MET 47 4.777 -1.228 -6.377 334 HE1 MET 47 1HE MET 47 2.968 -3.488 -8.905 335 HE2 MET 47 2HE MET 47 2.512 -2.384 -10.229 336 HE3 MET 47 3HE MET 47 4.210 -2.847 -10.009 337 HA PRO 48 HA PRO 48 10.153 -5.559 -6.520 338 HB2 PRO 48 1HB PRO 48 8.334 -7.877 -5.817 339 HB3 PRO 48 2HB PRO 48 10.053 -7.617 -5.364 340 HG2 PRO 48 1HG PRO 48 8.138 -7.031 -3.576 341 HG3 PRO 48 2HG PRO 48 9.440 -5.836 -3.854 342 HD2 PRO 48 1HD PRO 48 6.640 -5.864 -5.032 343 HD3 PRO 48 2HD PRO 48 7.521 -4.500 -4.272 344 H LYS 49 H LYS 49 10.999 -6.626 -8.276 345 HA LYS 49 HA LYS 49 9.143 -7.125 -10.565 346 HB2 LYS 49 1HB LYS 49 12.044 -6.246 -10.685 347 HB3 LYS 49 2HB LYS 49 10.936 -6.421 -12.036 348 HG2 LYS 49 1HG LYS 49 10.822 -4.327 -9.837 349 HG3 LYS 49 2HG LYS 49 11.262 -4.091 -11.529 350 HD2 LYS 49 1HD LYS 49 8.902 -4.834 -12.152 351 HD3 LYS 49 2HD LYS 49 8.502 -4.763 -10.432 352 HE2 LYS 49 1HE LYS 49 9.395 -2.458 -12.222 353 HE3 LYS 49 2HE LYS 49 7.792 -2.722 -11.533 354 HZ1 LYS 49 1HZ LYS 49 10.244 -1.929 -10.086 355 HZ2 LYS 49 2HZ LYS 49 8.960 -2.556 -9.295 356 HZ3 LYS 49 3HZ LYS 49 8.797 -1.153 -10.110 357 H ASP 50 H ASP 50 9.387 -8.771 -11.919 358 HA ASP 50 HA ASP 50 10.544 -11.252 -11.033 359 HB2 ASP 50 1HB ASP 50 8.493 -11.122 -12.372 360 HB3 ASP 50 2HB ASP 50 9.365 -10.332 -13.683 361 H ARG 51 H ARG 51 12.311 -12.402 -11.799 362 HA ARG 51 HA ARG 51 14.523 -10.755 -12.795 363 HB2 ARG 51 1HB ARG 51 15.976 -12.458 -11.986 364 HB3 ARG 51 2HB ARG 51 14.766 -12.074 -10.768 365 HG2 ARG 51 1HG ARG 51 13.491 -14.147 -11.405 366 HG3 ARG 51 2HG ARG 51 14.722 -14.499 -12.627 367 HD2 ARG 51 1HD ARG 51 15.189 -15.840 -10.723 368 HD3 ARG 51 2HD ARG 51 16.452 -14.605 -10.842 369 HE ARG 51 HE ARG 51 14.352 -13.686 -9.108 370 HH11 ARG 51 1HH1 ARG 51 16.960 -16.023 -9.052 371 HH12 ARG 51 2HH1 ARG 51 17.105 -15.957 -7.316 372 HH21 ARG 51 1HH2 ARG 51 15.796 -14.643 -6.136 373 HH22 ARG 51 2HH2 ARG 51 14.596 -13.641 -6.897 374 H VAL 52 H VAL 52 12.337 -12.145 -14.658 375 HA VAL 52 HA VAL 52 14.308 -13.050 -16.739 376 HB VAL 52 HB VAL 52 11.614 -14.354 -16.165 377 HG11 VAL 52 1HG1 VAL 52 12.256 -14.525 -18.531 378 HG12 VAL 52 2HG1 VAL 52 13.869 -15.117 -18.070 379 HG13 VAL 52 3HG1 VAL 52 12.419 -16.092 -17.742 380 HG21 VAL 52 1HG2 VAL 52 13.126 -14.988 -14.369 381 HG22 VAL 52 2HG2 VAL 52 12.958 -16.345 -15.475 382 HG23 VAL 52 3HG2 VAL 52 14.427 -15.345 -15.533 383 H THR 53 H THR 53 11.113 -11.676 -16.009 384 HA THR 53 HA THR 53 10.859 -10.673 -18.807 385 HB THR 53 HB THR 53 8.456 -10.595 -18.400 386 HG1 THR 53 1HG THR 53 9.069 -11.780 -15.894 387 HG21 THR 53 1HG2 THR 53 7.933 -12.958 -18.279 388 HG22 THR 53 2HG2 THR 53 9.521 -13.331 -17.575 389 HG23 THR 53 3HG2 THR 53 9.402 -12.732 -19.246 390 H GLY 54 H GLY 54 11.387 -9.680 -15.582 391 HA2 GLY 54 1HA GLY 54 11.766 -7.645 -14.675 392 HA3 GLY 54 2HA GLY 54 11.620 -6.952 -16.291 393 H GLN 55 H GLN 55 8.754 -8.582 -15.559 394 HA GLN 55 HA GLN 55 7.241 -6.106 -15.124 395 HB2 GLN 55 1HB GLN 55 6.240 -8.979 -15.145 396 HB3 GLN 55 2HB GLN 55 5.287 -7.509 -15.340 397 HG2 GLN 55 1HG GLN 55 7.271 -8.711 -17.307 398 HG3 GLN 55 2HG GLN 55 5.536 -8.550 -17.500 399 HE21 GLN 55 1HE2 GLN 55 8.535 -7.112 -18.278 400 HE22 GLN 55 2HE2 GLN 55 7.892 -5.544 -18.768 401 H HIS 56 H HIS 56 5.575 -5.996 -13.295 402 HA HIS 56 HA HIS 56 6.920 -6.535 -10.776 403 HB2 HIS 56 1HB HIS 56 5.181 -5.422 -9.687 404 HB3 HIS 56 2HB HIS 56 5.505 -4.529 -11.166 405 HD2 HIS 56 2HD HIS 56 3.393 -3.985 -12.630 406 HE1 HIS 56 1HE HIS 56 0.589 -6.602 -10.777 407 HE2 HIS 56 2HE HIS 56 0.859 -4.718 -12.442 408 H GLN 57 H GLN 57 6.211 -7.800 -9.030 409 HA GLN 57 HA GLN 57 5.429 -10.459 -9.930 410 HB2 GLN 57 1HB GLN 57 6.466 -9.414 -7.276 411 HB3 GLN 57 2HB GLN 57 6.151 -11.121 -7.626 412 HG2 GLN 57 1HG GLN 57 7.756 -11.053 -9.515 413 HG3 GLN 57 2HG GLN 57 8.124 -9.369 -9.149 414 HE21 GLN 57 1HE2 GLN 57 8.335 -12.714 -7.831 415 HE22 GLN 57 2HE2 GLN 57 9.642 -12.323 -6.722 416 H GLY 58 H GLY 58 3.258 -8.294 -9.590 417 HA2 GLY 58 1HA GLY 58 0.970 -8.574 -9.329 418 HA3 GLY 58 2HA GLY 58 1.224 -10.098 -8.482 419 H TYR 59 H TYR 59 3.163 -7.783 -6.978 420 HA TYR 59 HA TYR 59 1.061 -6.624 -5.283 421 HB2 TYR 59 1HB TYR 59 1.989 -7.385 -3.213 422 HB3 TYR 59 2HB TYR 59 1.575 -8.770 -4.200 423 HD1 TYR 59 1HD TYR 59 4.255 -6.987 -2.472 424 HD2 TYR 59 2HD TYR 59 3.388 -10.111 -5.322 425 HE1 TYR 59 1HE TYR 59 6.527 -7.952 -2.125 426 HE2 TYR 59 2HE TYR 59 5.680 -11.023 -5.027 427 HH TYR 59 HH TYR 59 7.682 -10.830 -3.915 428 H GLY 60 H GLY 60 1.804 -4.976 -3.859 429 HA2 GLY 60 1HA GLY 60 4.405 -3.671 -4.420 430 HA3 GLY 60 2HA GLY 60 2.922 -2.825 -4.864 431 H PHE 61 H PHE 61 4.332 -1.445 -3.305 432 HA PHE 61 HA PHE 61 3.020 -1.474 -0.655 433 HB2 PHE 61 1HB PHE 61 5.994 -1.087 -1.174 434 HB3 PHE 61 2HB PHE 61 5.204 -0.908 0.373 435 HD1 PHE 61 1HD PHE 61 6.486 -3.313 -2.097 436 HD2 PHE 61 2HD PHE 61 4.445 -2.857 1.671 437 HE1 PHE 61 1HE PHE 61 6.978 -5.680 -1.547 438 HE2 PHE 61 2HE PHE 61 4.955 -5.228 2.231 439 HZ PHE 61 HZ PHE 61 6.213 -6.644 0.618 440 H VAL 62 H VAL 62 2.797 0.534 0.319 441 HA VAL 62 HA VAL 62 3.772 2.973 -1.107 442 HB VAL 62 HB VAL 62 0.944 2.766 -0.002 443 HG11 VAL 62 1HG1 VAL 62 1.916 5.023 0.020 444 HG12 VAL 62 2HG1 VAL 62 2.323 4.863 -1.710 445 HG13 VAL 62 3HG1 VAL 62 0.634 4.885 -1.167 446 HG21 VAL 62 1HG2 VAL 62 0.195 2.882 -2.377 447 HG22 VAL 62 2HG2 VAL 62 1.870 2.567 -2.881 448 HG23 VAL 62 3HG2 VAL 62 0.963 1.350 -1.960 449 H GLU 63 H GLU 63 4.751 4.363 0.263 450 HA GLU 63 HA GLU 63 4.460 3.891 3.199 451 HB2 GLU 63 1HB GLU 63 6.661 3.417 2.163 452 HB3 GLU 63 2HB GLU 63 6.746 5.127 1.688 453 HG2 GLU 63 1HG GLU 63 6.831 5.863 3.963 454 HG3 GLU 63 2HG GLU 63 6.377 4.271 4.579 455 H PHE 64 H PHE 64 3.624 5.349 4.432 456 HA PHE 64 HA PHE 64 3.012 8.058 3.390 457 HB2 PHE 64 1HB PHE 64 1.872 6.355 5.630 458 HB3 PHE 64 2HB PHE 64 1.466 8.047 5.395 459 HD1 PHE 64 1HD PHE 64 1.114 4.652 3.931 460 HD2 PHE 64 2HD PHE 64 0.196 8.839 3.519 461 HE1 PHE 64 1HE PHE 64 -0.623 4.100 2.239 462 HE2 PHE 64 2HE PHE 64 -1.532 8.283 1.806 463 HZ PHE 64 HZ PHE 64 -1.977 5.937 1.214 464 H LEU 65 H LEU 65 3.148 9.878 4.808 465 HA LEU 65 HA LEU 65 5.643 10.191 6.100 466 HB2 LEU 65 1HB LEU 65 4.026 11.961 5.131 467 HB3 LEU 65 2HB LEU 65 3.147 11.820 6.660 468 HG LEU 65 HG LEU 65 5.370 12.400 7.824 469 HD11 LEU 65 1HD1 LEU 65 6.991 13.679 6.447 470 HD12 LEU 65 2HD1 LEU 65 6.073 13.266 4.982 471 HD13 LEU 65 3HD1 LEU 65 6.900 11.997 5.913 472 HD21 LEU 65 1HD2 LEU 65 4.096 14.462 5.972 473 HD22 LEU 65 2HD2 LEU 65 5.087 14.817 7.407 474 HD23 LEU 65 3HD2 LEU 65 3.520 14.012 7.592 475 H SER 66 H SER 66 2.538 9.157 7.456 476 HA SER 66 HA SER 66 3.876 8.483 10.019 477 HB2 SER 66 1HB SER 66 1.258 10.026 9.945 478 HB3 SER 66 2HB SER 66 2.189 9.540 11.366 479 HG SER 66 HG SER 66 3.882 10.933 10.646 480 H GLU 67 H GLU 67 2.704 6.960 11.319 481 HA GLU 67 HA GLU 67 1.568 4.822 9.837 482 HB2 GLU 67 1HB GLU 67 2.744 4.599 11.971 483 HB3 GLU 67 2HB GLU 67 1.404 5.406 12.816 484 HG2 GLU 67 1HG GLU 67 -0.122 3.561 12.093 485 HG3 GLU 67 2HG GLU 67 1.228 2.784 11.266 486 H GLU 68 H GLU 68 -0.110 7.432 11.650 487 HA GLU 68 HA GLU 68 -2.714 6.268 11.454 488 HB2 GLU 68 1HB GLU 68 -3.555 8.452 12.078 489 HB3 GLU 68 2HB GLU 68 -2.157 8.015 13.057 490 HG2 GLU 68 1HG GLU 68 -0.717 9.485 11.626 491 HG3 GLU 68 2HG GLU 68 -2.142 9.946 10.692 492 H ASP 69 H ASP 69 -0.843 7.918 9.029 493 HA ASP 69 HA ASP 69 -3.126 8.379 7.214 494 HB2 ASP 69 1HB ASP 69 -0.116 8.648 6.918 495 HB3 ASP 69 2HB ASP 69 -1.246 8.983 5.625 496 H ALA 70 H ALA 70 -0.610 5.916 7.768 497 HA ALA 70 HA ALA 70 -1.194 4.370 5.373 498 HB1 ALA 70 1HB ALA 70 0.985 4.339 6.549 499 HB2 ALA 70 2HB ALA 70 0.217 3.633 7.982 500 HB3 ALA 70 3HB ALA 70 0.278 2.717 6.474 501 H ASP 71 H ASP 71 -2.122 4.125 8.828 502 HA ASP 71 HA ASP 71 -3.698 1.787 8.660 503 HB2 ASP 71 1HB ASP 71 -2.793 3.321 10.665 504 HB3 ASP 71 2HB ASP 71 -4.429 3.960 10.598 505 H TYR 72 H TYR 72 -4.525 5.116 7.860 506 HA TYR 72 HA TYR 72 -7.375 4.598 7.434 507 HB2 TYR 72 1HB TYR 72 -6.445 6.815 8.107 508 HB3 TYR 72 2HB TYR 72 -5.615 6.911 6.551 509 HD1 TYR 72 1HD TYR 72 -6.694 8.076 4.831 510 HD2 TYR 72 2HD TYR 72 -9.079 6.306 7.951 511 HE1 TYR 72 1HE TYR 72 -8.747 9.043 3.800 512 HE2 TYR 72 2HE TYR 72 -11.138 7.267 6.917 513 HH TYR 72 HH TYR 72 -11.024 9.268 3.946 514 H ALA 73 H ALA 73 -4.443 4.677 5.331 515 HA ALA 73 HA ALA 73 -5.863 4.555 2.832 516 HB1 ALA 73 1HB ALA 73 -3.101 3.470 3.507 517 HB2 ALA 73 2HB ALA 73 -3.738 3.930 1.911 518 HB3 ALA 73 3HB ALA 73 -3.459 5.169 3.149 519 H ILE 74 H ILE 74 -4.722 2.051 5.074 520 HA ILE 74 HA ILE 74 -5.568 -0.262 3.630 521 HB ILE 74 HB ILE 74 -5.307 0.258 6.620 522 HG12 ILE 74 1HG1 ILE 74 -3.336 -1.196 4.810 523 HG13 ILE 74 2HG1 ILE 74 -3.258 0.547 5.034 524 HG21 ILE 74 1HG2 ILE 74 -5.055 -2.251 6.812 525 HG22 ILE 74 2HG2 ILE 74 -6.666 -1.767 6.293 526 HG23 ILE 74 3HG2 ILE 74 -5.501 -2.381 5.108 527 HD11 ILE 74 1HD1 ILE 74 -3.059 -1.447 7.307 528 HD12 ILE 74 2HD1 ILE 74 -1.709 -0.624 6.504 529 HD13 ILE 74 3HD1 ILE 74 -2.899 0.319 7.399 530 H LYS 75 H LYS 75 -7.402 1.944 5.747 531 HA LYS 75 HA LYS 75 -9.823 0.361 5.784 532 HB2 LYS 75 1HB LYS 75 -9.288 1.970 7.524 533 HB3 LYS 75 2HB LYS 75 -9.319 3.309 6.374 534 HG2 LYS 75 1HG LYS 75 -11.679 3.056 5.986 535 HG3 LYS 75 2HG LYS 75 -11.721 1.555 6.934 536 HD2 LYS 75 1HD LYS 75 -11.087 2.838 8.970 537 HD3 LYS 75 2HD LYS 75 -11.036 4.333 8.008 538 HE2 LYS 75 1HE LYS 75 -13.435 4.052 7.439 539 HE3 LYS 75 2HE LYS 75 -13.489 2.550 8.370 540 HZ1 LYS 75 1HZ LYS 75 -14.317 4.423 9.672 541 HZ2 LYS 75 2HZ LYS 75 -12.912 5.236 9.510 542 HZ3 LYS 75 3HZ LYS 75 -12.961 3.844 10.368 543 H ILE 76 H ILE 76 -8.700 2.949 3.571 544 HA ILE 76 HA ILE 76 -11.310 2.867 2.190 545 HB ILE 76 HB ILE 76 -10.553 4.829 1.000 546 HG12 ILE 76 1HG1 ILE 76 -8.080 4.963 2.733 547 HG13 ILE 76 2HG1 ILE 76 -8.047 4.219 1.144 548 HG21 ILE 76 1HG2 ILE 76 -10.173 5.102 4.018 549 HG22 ILE 76 2HG2 ILE 76 -10.697 6.367 2.892 550 HG23 ILE 76 3HG2 ILE 76 -11.743 4.975 3.196 551 HD11 ILE 76 1HD1 ILE 76 -7.385 6.450 0.825 552 HD12 ILE 76 2HD1 ILE 76 -9.035 6.360 0.218 553 HD13 ILE 76 3HD1 ILE 76 -8.715 7.085 1.821 554 H MET 77 H MET 77 -8.181 1.541 1.522 555 HA MET 77 HA MET 77 -8.866 1.192 -1.370 556 HB2 MET 77 1HB MET 77 -6.297 1.088 0.170 557 HB3 MET 77 2HB MET 77 -6.389 0.630 -1.520 558 HG2 MET 77 1HG MET 77 -7.418 3.327 -0.633 559 HG3 MET 77 2HG MET 77 -5.723 3.075 -0.943 560 HE1 MET 77 1HE MET 77 -6.906 5.144 -3.938 561 HE2 MET 77 2HE MET 77 -6.579 5.215 -2.201 562 HE3 MET 77 3HE MET 77 -5.328 4.606 -3.324 563 H ASP 78 H ASP 78 -9.230 -0.718 1.333 564 HA ASP 78 HA ASP 78 -8.148 -3.207 0.211 565 HB2 ASP 78 1HB ASP 78 -8.004 -2.779 2.600 566 HB3 ASP 78 2HB ASP 78 -9.767 -2.736 2.728 567 H MET 79 H MET 79 -9.197 -4.999 -0.504 568 HA MET 79 HA MET 79 -10.621 -6.246 -1.630 569 HB2 MET 79 1HB MET 79 -11.707 -6.092 0.694 570 HB3 MET 79 2HB MET 79 -12.960 -5.124 -0.087 571 HG2 MET 79 1HG MET 79 -13.448 -6.990 -1.623 572 HG3 MET 79 2HG MET 79 -12.110 -7.924 -0.957 573 HE1 MET 79 1HE MET 79 -12.320 -7.690 2.195 574 HE2 MET 79 2HE MET 79 -13.381 -9.075 2.513 575 HE3 MET 79 3HE MET 79 -12.117 -9.196 1.271 576 H ILE 80 H ILE 80 -10.267 -3.329 -2.452 577 HA ILE 80 HA ILE 80 -12.493 -2.781 -4.271 578 HB ILE 80 HB ILE 80 -10.036 -1.430 -3.200 579 HG12 ILE 80 1HG1 ILE 80 -12.889 -0.445 -3.525 580 HG13 ILE 80 2HG1 ILE 80 -12.417 -1.476 -2.188 581 HG21 ILE 80 1HG2 ILE 80 -10.269 0.507 -4.620 582 HG22 ILE 80 2HG2 ILE 80 -9.799 -0.906 -5.554 583 HG23 ILE 80 3HG2 ILE 80 -11.492 -0.323 -5.616 584 HD11 ILE 80 1HD1 ILE 80 -12.415 0.859 -1.507 585 HD12 ILE 80 2HD1 ILE 80 -10.804 0.137 -1.388 586 HD13 ILE 80 3HD1 ILE 80 -11.183 1.249 -2.722 587 H LYS 81 H LYS 81 -12.260 -2.490 -6.548 588 HA LYS 81 HA LYS 81 -10.420 -4.525 -7.707 589 HB2 LYS 81 1HB LYS 81 -13.112 -3.507 -8.666 590 HB3 LYS 81 2HB LYS 81 -12.110 -4.722 -9.472 591 HG2 LYS 81 1HG LYS 81 -12.232 -6.116 -7.340 592 HG3 LYS 81 2HG LYS 81 -13.402 -4.946 -6.722 593 HD2 LYS 81 1HD LYS 81 -14.721 -6.690 -7.583 594 HD3 LYS 81 2HD LYS 81 -14.797 -5.428 -8.821 595 HE2 LYS 81 1HE LYS 81 -12.906 -6.650 -10.028 596 HE3 LYS 81 2HE LYS 81 -13.056 -7.937 -8.830 597 HZ1 LYS 81 1HZ LYS 81 -15.357 -8.270 -9.555 598 HZ2 LYS 81 2HZ LYS 81 -14.349 -8.435 -10.827 599 HZ3 LYS 81 3HZ LYS 81 -15.234 -7.075 -10.661 600 H LEU 82 H LEU 82 -8.702 -2.899 -7.669 601 HA LEU 82 HA LEU 82 -8.629 -0.679 -9.467 602 HB2 LEU 82 1HB LEU 82 -6.984 -1.160 -7.632 603 HB3 LEU 82 2HB LEU 82 -6.363 -2.521 -8.561 604 HG LEU 82 HG LEU 82 -5.517 -1.017 -10.292 605 HD11 LEU 82 1HD1 LEU 82 -6.720 1.217 -8.599 606 HD12 LEU 82 2HD1 LEU 82 -7.141 0.809 -10.280 607 HD13 LEU 82 3HD1 LEU 82 -5.550 1.464 -9.910 608 HD21 LEU 82 1HD2 LEU 82 -4.804 -0.053 -7.485 609 HD22 LEU 82 2HD2 LEU 82 -3.803 0.130 -8.938 610 HD23 LEU 82 3HD2 LEU 82 -4.129 -1.486 -8.287 611 H TYR 83 H TYR 83 -8.439 -0.590 -11.738 612 HA TYR 83 HA TYR 83 -9.042 -1.432 -13.766 613 HB2 TYR 83 1HB TYR 83 -6.580 -3.130 -13.280 614 HB3 TYR 83 2HB TYR 83 -7.287 -2.771 -14.844 615 HD1 TYR 83 1HD TYR 83 -7.655 -0.170 -15.373 616 HD2 TYR 83 2HD TYR 83 -4.748 -1.813 -12.642 617 HE1 TYR 83 1HE TYR 83 -6.234 1.849 -15.673 618 HE2 TYR 83 2HE TYR 83 -3.318 0.200 -12.965 619 HH TYR 83 HH TYR 83 -4.282 2.902 -15.114 620 H GLY 84 H GLY 84 -10.562 -2.952 -11.682 621 HA2 GLY 84 1HA GLY 84 -12.236 -4.523 -11.893 622 HA3 GLY 84 2HA GLY 84 -11.643 -4.960 -13.490 623 H LYS 85 H LYS 85 -9.622 -5.159 -10.585 624 HA LYS 85 HA LYS 85 -9.740 -8.085 -10.394 625 HB2 LYS 85 1HB LYS 85 -8.063 -7.473 -12.111 626 HB3 LYS 85 2HB LYS 85 -7.209 -6.471 -10.940 627 HG2 LYS 85 1HG LYS 85 -6.652 -8.405 -9.579 628 HG3 LYS 85 2HG LYS 85 -7.676 -9.468 -10.556 629 HD2 LYS 85 1HD LYS 85 -5.293 -7.941 -11.690 630 HD3 LYS 85 2HD LYS 85 -5.164 -9.577 -11.032 631 HE2 LYS 85 1HE LYS 85 -6.658 -10.488 -12.677 632 HE3 LYS 85 2HE LYS 85 -7.147 -8.889 -13.240 633 HZ1 LYS 85 1HZ LYS 85 -4.387 -9.931 -13.533 634 HZ2 LYS 85 2HZ LYS 85 -4.986 -8.522 -14.156 635 HZ3 LYS 85 3HZ LYS 85 -5.517 -9.957 -14.714 636 HA PRO 86 HA PRO 86 -9.977 -6.220 -6.378 637 HB2 PRO 86 1HB PRO 86 -10.254 -8.418 -4.761 638 HB3 PRO 86 2HB PRO 86 -11.527 -7.778 -5.848 639 HG2 PRO 86 1HG PRO 86 -9.594 -10.048 -6.373 640 HG3 PRO 86 2HG PRO 86 -11.365 -10.007 -6.655 641 HD2 PRO 86 1HD PRO 86 -9.575 -9.551 -8.649 642 HD3 PRO 86 2HD PRO 86 -11.106 -8.619 -8.581 643 H ILE 87 H ILE 87 -8.513 -5.267 -5.149 644 HA ILE 87 HA ILE 87 -5.941 -6.614 -4.559 645 HB ILE 87 HB ILE 87 -5.099 -4.420 -3.888 646 HG12 ILE 87 1HG1 ILE 87 -7.494 -3.119 -5.213 647 HG13 ILE 87 2HG1 ILE 87 -7.447 -3.373 -3.465 648 HG21 ILE 87 1HG2 ILE 87 -4.697 -5.335 -6.114 649 HG22 ILE 87 2HG2 ILE 87 -6.196 -4.612 -6.729 650 HG23 ILE 87 3HG2 ILE 87 -4.855 -3.577 -6.213 651 HD11 ILE 87 1HD1 ILE 87 -5.393 -2.012 -3.314 652 HD12 ILE 87 2HD1 ILE 87 -5.442 -1.732 -5.071 653 HD13 ILE 87 3HD1 ILE 87 -6.737 -1.113 -4.037 654 H ARG 88 H ARG 88 -5.131 -6.901 -2.578 655 HA ARG 88 HA ARG 88 -6.918 -6.528 -0.192 656 HB2 ARG 88 1HB ARG 88 -6.354 -8.900 -0.809 657 HB3 ARG 88 2HB ARG 88 -4.645 -8.503 -0.664 658 HG2 ARG 88 1HG ARG 88 -5.198 -9.595 1.343 659 HG3 ARG 88 2HG ARG 88 -5.096 -7.892 1.781 660 HD2 ARG 88 1HD ARG 88 -7.643 -7.793 1.574 661 HD3 ARG 88 2HD ARG 88 -7.625 -9.528 1.286 662 HE ARG 88 HE ARG 88 -7.046 -9.936 3.533 663 HH11 ARG 88 1HH1 ARG 88 -7.325 -6.457 3.047 664 HH12 ARG 88 2HH1 ARG 88 -6.851 -6.115 4.679 665 HH21 ARG 88 1HH2 ARG 88 -6.749 -9.418 5.670 666 HH22 ARG 88 2HH2 ARG 88 -6.770 -7.741 6.164 667 H VAL 89 H VAL 89 -6.252 -5.105 1.311 668 HA VAL 89 HA VAL 89 -3.451 -4.066 1.166 669 HB VAL 89 HB VAL 89 -5.918 -2.386 1.698 670 HG11 VAL 89 1HG1 VAL 89 -4.379 -0.489 1.361 671 HG12 VAL 89 2HG1 VAL 89 -3.835 -1.490 2.704 672 HG13 VAL 89 3HG1 VAL 89 -3.018 -1.611 1.141 673 HG21 VAL 89 1HG2 VAL 89 -5.425 -1.394 -0.550 674 HG22 VAL 89 2HG2 VAL 89 -4.222 -2.670 -0.809 675 HG23 VAL 89 3HG2 VAL 89 -5.944 -3.075 -0.661 676 H ASN 90 H ASN 90 -2.343 -3.776 3.031 677 HA ASN 90 HA ASN 90 -3.603 -3.712 5.669 678 HB2 ASN 90 1HB ASN 90 -3.594 -6.183 4.897 679 HB3 ASN 90 2HB ASN 90 -1.843 -6.083 4.971 680 HD21 ASN 90 1HD2 ASN 90 -2.560 -7.998 6.452 681 HD22 ASN 90 2HD2 ASN 90 -2.772 -7.557 8.153 682 H LYS 91 H LYS 91 -1.691 -3.853 7.412 683 HA LYS 91 HA LYS 91 0.371 -1.888 6.814 684 HB2 LYS 91 1HB LYS 91 0.293 -3.942 9.067 685 HB3 LYS 91 2HB LYS 91 1.260 -2.474 9.032 686 HG2 LYS 91 1HG LYS 91 -1.788 -2.490 9.072 687 HG3 LYS 91 2HG LYS 91 -0.807 -2.473 10.516 688 HD2 LYS 91 1HD LYS 91 -0.269 -0.334 8.460 689 HD3 LYS 91 2HD LYS 91 -1.759 -0.226 9.392 690 HE2 LYS 91 1HE LYS 91 0.963 -0.517 10.711 691 HE3 LYS 91 2HE LYS 91 0.244 1.041 10.287 692 HZ1 LYS 91 1HZ LYS 91 -0.932 -0.925 12.164 693 HZ2 LYS 91 2HZ LYS 91 -1.703 0.433 11.668 694 HZ3 LYS 91 3HZ LYS 91 -0.307 0.542 12.544 695 H ALA 92 H ALA 92 2.558 -2.182 6.241 696 HA ALA 92 HA ALA 92 3.263 -4.711 4.991 697 HB1 ALA 92 1HB ALA 92 3.931 -2.518 4.078 698 HB2 ALA 92 2HB ALA 92 4.959 -2.246 5.506 699 HB3 ALA 92 3HB ALA 92 5.327 -3.567 4.383 700 H SER 93 H SER 93 3.365 -3.779 8.224 701 HA SER 93 HA SER 93 5.524 -5.568 9.083 702 HB2 SER 93 1HB SER 93 4.712 -4.887 11.342 703 HB3 SER 93 2HB SER 93 5.117 -3.513 10.299 704 HG SER 93 HG SER 93 3.165 -3.074 11.243 705 H ALA 94 H ALA 94 2.391 -6.105 7.971 706 HA ALA 94 HA ALA 94 2.050 -8.639 9.505 707 HB1 ALA 94 1HB ALA 94 -0.091 -6.556 8.875 708 HB2 ALA 94 2HB ALA 94 -0.335 -8.087 9.746 709 HB3 ALA 94 3HB ALA 94 0.656 -6.811 10.469 710 H HIS 95 H HIS 95 0.121 -9.884 8.450 711 HA HIS 95 HA HIS 95 0.345 -9.848 5.454 712 HB2 HIS 95 1HB HIS 95 0.229 -12.278 7.272 713 HB3 HIS 95 2HB HIS 95 0.098 -12.305 5.513 714 HD2 HIS 95 2HD HIS 95 2.660 -11.825 8.336 715 HE1 HIS 95 1HE HIS 95 4.882 -11.924 4.695 716 HE2 HIS 95 2HE HIS 95 5.056 -11.913 7.236 717 H ASN 96 H ASN 96 -1.765 -11.504 7.853 718 HA ASN 96 HA ASN 96 -4.124 -10.070 6.792 719 HB2 ASN 96 1HB ASN 96 -3.721 -12.233 5.469 720 HB3 ASN 96 2HB ASN 96 -4.026 -13.114 6.966 721 HD21 ASN 96 1HD2 ASN 96 -5.788 -14.095 5.598 722 HD22 ASN 96 2HD2 ASN 96 -7.304 -13.212 5.494 723 H LYS 97 H LYS 97 -6.071 -10.439 8.169 724 HA LYS 97 HA LYS 97 -5.370 -10.096 10.972 725 HB2 LYS 97 1HB LYS 97 -7.175 -8.834 9.714 726 HB3 LYS 97 2HB LYS 97 -8.144 -10.317 9.736 727 HG2 LYS 97 1HG LYS 97 -7.988 -10.293 12.260 728 HG3 LYS 97 2HG LYS 97 -7.079 -8.784 12.156 729 HD2 LYS 97 1HD LYS 97 -9.328 -8.232 12.712 730 HD3 LYS 97 2HD LYS 97 -9.077 -7.720 11.037 731 HE2 LYS 97 1HE LYS 97 -10.254 -9.713 10.213 732 HE3 LYS 97 2HE LYS 97 -10.350 -10.375 11.852 733 HZ1 LYS 97 1HZ LYS 97 -12.432 -9.295 11.153 734 HZ2 LYS 97 2HZ LYS 97 -11.677 -7.856 11.003 735 HZ3 LYS 97 3HZ LYS 97 -11.817 -8.572 12.471 736 H ASN 98 H ASN 98 -5.489 -11.489 12.625 737 HA ASN 98 HA ASN 98 -6.165 -14.328 12.048 738 HB2 ASN 98 1HB ASN 98 -3.870 -13.683 12.753 739 HB3 ASN 98 2HB ASN 98 -4.517 -13.056 14.272 740 HD21 ASN 98 1HD2 ASN 98 -4.292 -16.071 12.304 741 HD22 ASN 98 2HD2 ASN 98 -4.299 -17.128 13.708 742 H LEU 99 H LEU 99 -7.322 -11.700 14.065 743 HA LEU 99 HA LEU 99 -9.279 -13.506 15.419 744 HB2 LEU 99 1HB LEU 99 -7.618 -11.279 16.670 745 HB3 LEU 99 2HB LEU 99 -8.960 -12.084 17.470 746 HG LEU 99 HG LEU 99 -6.393 -13.475 16.591 747 HD11 LEU 99 1HD1 LEU 99 -6.021 -11.856 18.408 748 HD12 LEU 99 2HD1 LEU 99 -5.859 -13.521 18.987 749 HD13 LEU 99 3HD1 LEU 99 -7.335 -12.596 19.351 750 HD21 LEU 99 1HD2 LEU 99 -7.189 -15.314 18.058 751 HD22 LEU 99 2HD2 LEU 99 -8.291 -15.055 16.705 752 HD23 LEU 99 3HD2 LEU 99 -8.719 -14.446 18.321 753 H SER 100 H SER 100 -11.205 -12.457 16.183 754 HA SER 100 HA SER 100 -11.789 -9.718 15.307 755 HB2 SER 100 1HB SER 100 -12.292 -11.404 13.365 756 HB3 SER 100 2HB SER 100 -13.686 -11.874 14.355 757 HG SER 100 HG SER 100 -14.342 -10.198 13.039 758 H GLY 101 H GLY 101 -14.030 -9.047 16.003 759 HA2 GLY 101 1HA GLY 101 -15.537 -10.457 17.963 760 HA3 GLY 101 2HA GLY 101 -14.351 -9.449 18.798 761 HA PRO 102 HA PRO 102 -18.247 -6.994 17.747 762 HB2 PRO 102 1HB PRO 102 -19.217 -6.522 20.253 763 HB3 PRO 102 2HB PRO 102 -19.529 -8.045 19.366 764 HG2 PRO 102 1HG PRO 102 -17.370 -7.516 21.441 765 HG3 PRO 102 2HG PRO 102 -18.547 -8.870 21.394 766 HD2 PRO 102 1HD PRO 102 -16.019 -9.135 20.423 767 HD3 PRO 102 2HD PRO 102 -17.407 -9.919 19.608 768 H SER 103 H SER 103 -18.657 -4.738 18.106 769 HA SER 103 HA SER 103 -16.297 -3.146 18.312 770 HB2 SER 103 1HB SER 103 -19.201 -2.246 18.290 771 HB3 SER 103 2HB SER 103 -17.782 -1.263 17.881 772 HG SER 103 HG SER 103 -18.825 -2.108 16.012 773 H SER 104 H SER 104 -18.442 -4.145 20.821 774 HA SER 104 HA SER 104 -16.996 -2.549 22.807 775 HB2 SER 104 1HB SER 104 -18.981 -1.141 22.055 776 HB3 SER 104 2HB SER 104 -20.033 -2.396 22.736 777 HG SER 104 HG SER 104 -19.565 -0.676 24.221 778 H GLY 105 H GLY 105 -17.550 -3.237 25.024 779 HA2 GLY 105 1HA GLY 105 -17.510 -6.134 25.298 780 HA3 GLY 105 2HA GLY 105 -17.447 -4.947 26.599 Start of MODEL 2 1 H1 GLY 1 1H GLY 1 21.082 8.896 0.904 2 H2 GLY 1 2H GLY 1 21.211 9.136 -0.713 3 H3 GLY 1 3H GLY 1 20.921 7.634 -0.133 4 HA2 GLY 1 1HA GLY 1 18.763 8.305 0.708 5 HA3 GLY 1 2HA GLY 1 19.075 9.928 0.068 6 H SER 2 H SER 2 16.863 9.141 -0.891 7 HA SER 2 HA SER 2 16.738 7.163 -2.906 8 HB2 SER 2 1HB SER 2 14.571 8.224 -3.477 9 HB3 SER 2 2HB SER 2 14.779 7.923 -1.743 10 HG SER 2 HG SER 2 13.953 10.038 -2.196 11 H SER 3 H SER 3 18.043 10.366 -3.210 12 HA SER 3 HA SER 3 17.797 10.735 -6.033 13 HB2 SER 3 1HB SER 3 20.020 11.674 -4.183 14 HB3 SER 3 2HB SER 3 19.607 12.345 -5.771 15 HG SER 3 HG SER 3 18.698 13.577 -4.063 16 H GLY 4 H GLY 4 19.716 8.409 -4.309 17 HA2 GLY 4 1HA GLY 4 21.913 8.085 -6.137 18 HA3 GLY 4 2HA GLY 4 21.300 6.875 -5.008 19 H SER 5 H SER 5 22.247 6.493 -7.754 20 HA SER 5 HA SER 5 20.320 6.450 -9.729 21 HB2 SER 5 1HB SER 5 22.624 4.486 -9.442 22 HB3 SER 5 2HB SER 5 21.802 4.947 -10.946 23 HG SER 5 HG SER 5 23.753 6.123 -10.635 24 H SER 6 H SER 6 20.708 3.973 -7.249 25 HA SER 6 HA SER 6 18.969 2.019 -8.564 26 HB2 SER 6 1HB SER 6 19.973 2.105 -5.698 27 HB3 SER 6 2HB SER 6 19.289 0.705 -6.541 28 HG SER 6 HG SER 6 21.073 0.735 -7.953 29 H GLY 7 H GLY 7 18.219 4.893 -6.951 30 HA2 GLY 7 1HA GLY 7 16.401 5.742 -5.866 31 HA3 GLY 7 2HA GLY 7 15.435 4.463 -6.605 32 HA PRO 8 HA PRO 8 16.903 2.184 -2.733 33 HB2 PRO 8 1HB PRO 8 18.662 3.185 -0.900 34 HB3 PRO 8 2HB PRO 8 19.179 2.452 -2.453 35 HG2 PRO 8 1HG PRO 8 18.748 5.397 -1.842 36 HG3 PRO 8 2HG PRO 8 20.197 4.630 -2.576 37 HD2 PRO 8 1HD PRO 8 18.284 5.761 -4.130 38 HD3 PRO 8 2HD PRO 8 19.069 4.225 -4.608 39 H ILE 9 H ILE 9 15.959 1.871 -0.750 40 HA ILE 9 HA ILE 9 14.193 3.994 0.280 41 HB ILE 9 HB ILE 9 13.331 1.752 -0.309 42 HG12 ILE 9 1HG1 ILE 9 12.933 2.387 2.640 43 HG13 ILE 9 2HG1 ILE 9 12.213 3.302 1.316 44 HG21 ILE 9 1HG2 ILE 9 13.732 -0.200 1.085 45 HG22 ILE 9 2HG2 ILE 9 15.279 0.387 0.492 46 HG23 ILE 9 3HG2 ILE 9 14.796 0.721 2.165 47 HD11 ILE 9 1HD1 ILE 9 11.703 0.371 1.972 48 HD12 ILE 9 2HD1 ILE 9 10.588 1.729 2.164 49 HD13 ILE 9 3HD1 ILE 9 11.067 1.209 0.536 50 H SER 10 H SER 10 14.066 4.563 2.517 51 HA SER 10 HA SER 10 16.647 4.745 3.859 52 HB2 SER 10 1HB SER 10 15.353 6.206 5.426 53 HB3 SER 10 2HB SER 10 15.274 6.691 3.724 54 HG SER 10 HG SER 10 13.204 6.741 4.549 55 H GLU 11 H GLU 11 14.425 2.320 3.914 56 HA GLU 11 HA GLU 11 13.832 0.634 5.270 57 HB2 GLU 11 1HB GLU 11 15.640 -0.677 6.097 58 HB3 GLU 11 2HB GLU 11 16.023 0.022 4.534 59 HG2 GLU 11 1HG GLU 11 17.523 1.655 5.549 60 HG3 GLU 11 2HG GLU 11 17.042 1.156 7.174 61 H ARG 12 H ARG 12 13.146 3.065 6.541 62 HA ARG 12 HA ARG 12 13.006 2.174 9.395 63 HB2 ARG 12 1HB ARG 12 13.188 4.492 10.120 64 HB3 ARG 12 2HB ARG 12 14.576 4.026 9.153 65 HG2 ARG 12 1HG ARG 12 14.173 6.119 8.297 66 HG3 ARG 12 2HG ARG 12 13.274 5.138 7.151 67 HD2 ARG 12 1HD ARG 12 11.202 5.636 8.703 68 HD3 ARG 12 2HD ARG 12 12.234 6.850 9.434 69 HE ARG 12 HE ARG 12 12.047 8.170 7.517 70 HH11 ARG 12 1HH1 ARG 12 10.665 4.980 6.680 71 HH12 ARG 12 2HH1 ARG 12 10.058 5.674 5.174 72 HH21 ARG 12 1HH2 ARG 12 11.114 8.786 5.523 73 HH22 ARG 12 2HH2 ARG 12 10.252 7.537 4.612 74 H ASN 13 H ASN 13 11.176 2.790 10.582 75 HA ASN 13 HA ASN 13 8.962 2.746 10.954 76 HB2 ASN 13 1HB ASN 13 9.522 5.187 10.592 77 HB3 ASN 13 2HB ASN 13 8.797 5.049 8.988 78 HD21 ASN 13 1HD2 ASN 13 7.582 6.892 10.312 79 HD22 ASN 13 2HD2 ASN 13 6.129 6.336 11.125 80 H GLN 14 H GLN 14 9.390 0.651 9.467 81 HA GLN 14 HA GLN 14 7.909 0.302 7.091 82 HB2 GLN 14 1HB GLN 14 8.621 -1.624 9.348 83 HB3 GLN 14 2HB GLN 14 7.807 -2.111 7.865 84 HG2 GLN 14 1HG GLN 14 10.016 -2.649 7.481 85 HG3 GLN 14 2HG GLN 14 9.746 -1.191 6.540 86 HE21 GLN 14 1HE2 GLN 14 12.301 -1.678 6.775 87 HE22 GLN 14 2HE2 GLN 14 13.052 -0.683 8.028 88 H ASP 15 H ASP 15 6.667 0.561 10.400 89 HA ASP 15 HA ASP 15 4.040 -0.498 9.848 90 HB2 ASP 15 1HB ASP 15 5.216 1.265 12.015 91 HB3 ASP 15 2HB ASP 15 3.482 0.960 11.924 92 H ALA 16 H ALA 16 5.482 2.628 9.118 93 HA ALA 16 HA ALA 16 2.868 3.773 8.350 94 HB1 ALA 16 1HB ALA 16 4.152 5.766 7.813 95 HB2 ALA 16 2HB ALA 16 4.539 5.200 9.446 96 HB3 ALA 16 3HB ALA 16 5.680 4.905 8.110 97 H THR 17 H THR 17 4.730 1.423 7.005 98 HA THR 17 HA THR 17 4.079 2.234 4.207 99 HB THR 17 HB THR 17 5.866 -0.055 5.070 100 HG1 THR 17 1HG THR 17 6.709 2.036 5.549 101 HG21 THR 17 1HG2 THR 17 5.479 1.287 2.351 102 HG22 THR 17 2HG2 THR 17 4.920 -0.343 2.794 103 HG23 THR 17 3HG2 THR 17 6.651 0.016 2.718 104 H VAL 18 H VAL 18 2.520 1.185 3.130 105 HA VAL 18 HA VAL 18 1.152 -1.119 4.460 106 HB VAL 18 HB VAL 18 -0.805 -0.687 3.172 107 HG11 VAL 18 1HG1 VAL 18 0.161 1.942 4.363 108 HG12 VAL 18 2HG1 VAL 18 -1.515 1.421 4.146 109 HG13 VAL 18 3HG1 VAL 18 -0.467 0.569 5.300 110 HG21 VAL 18 1HG2 VAL 18 0.156 0.239 1.079 111 HG22 VAL 18 2HG2 VAL 18 -1.112 1.271 1.747 112 HG23 VAL 18 3HG2 VAL 18 0.587 1.720 1.969 113 H TYR 19 H TYR 19 0.668 -2.931 3.310 114 HA TYR 19 HA TYR 19 2.243 -3.539 0.844 115 HB2 TYR 19 1HB TYR 19 2.664 -5.137 2.565 116 HB3 TYR 19 2HB TYR 19 0.978 -5.189 3.051 117 HD1 TYR 19 1HD TYR 19 -0.633 -6.611 1.979 118 HD2 TYR 19 2HD TYR 19 3.368 -6.268 0.401 119 HE1 TYR 19 1HE TYR 19 -1.041 -8.587 0.525 120 HE2 TYR 19 2HE TYR 19 2.966 -8.276 -1.025 121 HH TYR 19 HH TYR 19 -0.141 -10.048 -1.002 122 H VAL 20 H VAL 20 1.178 -4.101 -1.010 123 HA VAL 20 HA VAL 20 -1.809 -4.213 -1.055 124 HB VAL 20 HB VAL 20 -0.121 -2.808 -3.163 125 HG11 VAL 20 1HG1 VAL 20 -2.341 -2.050 -3.973 126 HG12 VAL 20 2HG1 VAL 20 -2.230 -3.819 -3.983 127 HG13 VAL 20 3HG1 VAL 20 -3.134 -3.000 -2.703 128 HG21 VAL 20 1HG2 VAL 20 -1.119 -0.702 -2.384 129 HG22 VAL 20 2HG2 VAL 20 -1.843 -1.545 -0.993 130 HG23 VAL 20 3HG2 VAL 20 -0.079 -1.408 -1.152 131 H GLY 21 H GLY 21 -2.292 -6.235 -1.671 132 HA2 GLY 21 1HA GLY 21 -0.539 -7.679 -3.642 133 HA3 GLY 21 2HA GLY 21 -1.528 -8.449 -2.413 134 H GLY 22 H GLY 22 -1.414 -8.595 -5.443 135 HA2 GLY 22 1HA GLY 22 -3.151 -9.617 -6.723 136 HA3 GLY 22 2HA GLY 22 -4.376 -8.702 -5.842 137 H LEU 23 H LEU 23 -1.412 -7.395 -7.340 138 HA LEU 23 HA LEU 23 -2.907 -5.188 -8.513 139 HB2 LEU 23 1HB LEU 23 0.036 -5.971 -8.622 140 HB3 LEU 23 2HB LEU 23 -0.629 -4.464 -9.242 141 HG LEU 23 HG LEU 23 -0.584 -5.342 -6.320 142 HD11 LEU 23 1HD1 LEU 23 1.593 -4.676 -7.291 143 HD12 LEU 23 2HD1 LEU 23 1.016 -3.530 -6.063 144 HD13 LEU 23 3HD1 LEU 23 0.894 -3.125 -7.788 145 HD21 LEU 23 1HD2 LEU 23 -1.769 -2.891 -7.673 146 HD22 LEU 23 2HD2 LEU 23 -1.271 -2.888 -5.975 147 HD23 LEU 23 3HD2 LEU 23 -2.531 -4.003 -6.526 148 H ASP 24 H ASP 24 -3.150 -4.695 -10.657 149 HA ASP 24 HA ASP 24 -3.041 -6.949 -12.519 150 HB2 ASP 24 1HB ASP 24 -5.044 -5.475 -12.394 151 HB3 ASP 24 2HB ASP 24 -4.057 -4.097 -12.895 152 H GLU 25 H GLU 25 -2.063 -6.745 -14.708 153 HA GLU 25 HA GLU 25 0.652 -5.917 -14.654 154 HB2 GLU 25 1HB GLU 25 0.695 -6.495 -16.999 155 HB3 GLU 25 2HB GLU 25 -0.196 -7.704 -16.077 156 HG2 GLU 25 1HG GLU 25 -2.347 -6.707 -16.850 157 HG3 GLU 25 2HG GLU 25 -1.452 -5.496 -17.773 158 H LYS 26 H LYS 26 -2.178 -3.983 -15.411 159 HA LYS 26 HA LYS 26 -0.657 -1.827 -16.701 160 HB2 LYS 26 1HB LYS 26 -3.514 -2.003 -15.678 161 HB3 LYS 26 2HB LYS 26 -2.842 -0.624 -16.560 162 HG2 LYS 26 1HG LYS 26 -2.298 -2.105 -18.481 163 HG3 LYS 26 2HG LYS 26 -3.050 -3.467 -17.655 164 HD2 LYS 26 1HD LYS 26 -4.432 -0.891 -18.504 165 HD3 LYS 26 2HD LYS 26 -4.537 -2.437 -19.341 166 HE2 LYS 26 1HE LYS 26 -5.566 -1.849 -16.531 167 HE3 LYS 26 2HE LYS 26 -6.547 -1.956 -17.995 168 HZ1 LYS 26 1HZ LYS 26 -5.739 -4.309 -18.190 169 HZ2 LYS 26 2HZ LYS 26 -6.661 -4.047 -16.867 170 HZ3 LYS 26 3HZ LYS 26 -5.045 -4.167 -16.701 171 H VAL 27 H VAL 27 -0.837 -2.730 -13.455 172 HA VAL 27 HA VAL 27 -0.843 -0.043 -12.286 173 HB VAL 27 HB VAL 27 -0.153 -2.737 -11.057 174 HG11 VAL 27 1HG1 VAL 27 0.900 -0.944 -9.749 175 HG12 VAL 27 2HG1 VAL 27 -0.629 -0.053 -9.697 176 HG13 VAL 27 3HG1 VAL 27 -0.472 -1.622 -8.900 177 HG21 VAL 27 1HG2 VAL 27 -2.524 -2.586 -11.747 178 HG22 VAL 27 2HG2 VAL 27 -2.390 -2.526 -9.988 179 HG23 VAL 27 3HG2 VAL 27 -2.687 -1.036 -10.901 180 H SER 28 H SER 28 0.837 1.211 -11.697 181 HA SER 28 HA SER 28 3.625 0.142 -11.767 182 HB2 SER 28 1HB SER 28 2.741 2.788 -12.986 183 HB3 SER 28 2HB SER 28 4.414 2.226 -12.814 184 HG SER 28 HG SER 28 3.564 1.831 -14.914 185 H GLU 29 H GLU 29 5.164 1.516 -10.495 186 HA GLU 29 HA GLU 29 4.169 2.106 -7.937 187 HB2 GLU 29 1HB GLU 29 6.732 2.747 -9.410 188 HB3 GLU 29 2HB GLU 29 6.464 3.494 -7.847 189 HG2 GLU 29 1HG GLU 29 6.741 1.572 -6.682 190 HG3 GLU 29 2HG GLU 29 5.875 0.608 -7.853 191 HA PRO 30 HA PRO 30 3.963 6.833 -8.948 192 HB2 PRO 30 1HB PRO 30 3.225 6.650 -11.871 193 HB3 PRO 30 2HB PRO 30 4.070 7.969 -11.000 194 HG2 PRO 30 1HG PRO 30 5.498 6.233 -12.493 195 HG3 PRO 30 2HG PRO 30 6.088 6.668 -10.852 196 HD2 PRO 30 1HD PRO 30 4.511 4.219 -11.693 197 HD3 PRO 30 2HD PRO 30 5.993 4.315 -10.698 198 H LEU 31 H LEU 31 1.902 4.338 -10.432 199 HA LEU 31 HA LEU 31 -0.598 5.805 -10.113 200 HB2 LEU 31 1HB LEU 31 -0.320 3.854 -11.695 201 HB3 LEU 31 2HB LEU 31 -0.113 2.799 -10.297 202 HG LEU 31 HG LEU 31 -2.438 3.497 -9.489 203 HD11 LEU 31 1HD1 LEU 31 -2.676 5.550 -10.806 204 HD12 LEU 31 2HD1 LEU 31 -3.928 4.384 -11.256 205 HD13 LEU 31 3HD1 LEU 31 -2.513 4.613 -12.317 206 HD21 LEU 31 1HD2 LEU 31 -2.050 1.359 -10.536 207 HD22 LEU 31 2HD2 LEU 31 -2.039 2.092 -12.160 208 HD23 LEU 31 3HD2 LEU 31 -3.538 2.033 -11.213 209 H LEU 32 H LEU 32 1.090 3.207 -8.281 210 HA LEU 32 HA LEU 32 -0.770 3.179 -6.110 211 HB2 LEU 32 1HB LEU 32 2.217 2.527 -6.012 212 HB3 LEU 32 2HB LEU 32 0.997 2.079 -4.823 213 HG LEU 32 HG LEU 32 1.326 1.001 -7.616 214 HD11 LEU 32 1HD1 LEU 32 1.545 -1.114 -6.413 215 HD12 LEU 32 2HD1 LEU 32 1.209 -0.306 -4.862 216 HD13 LEU 32 3HD1 LEU 32 2.703 0.068 -5.762 217 HD21 LEU 32 1HD2 LEU 32 -1.065 1.228 -7.349 218 HD22 LEU 32 2HD2 LEU 32 -0.989 0.663 -5.658 219 HD23 LEU 32 3HD2 LEU 32 -0.674 -0.464 -6.985 220 H TRP 33 H TRP 33 1.859 5.374 -6.782 221 HA TRP 33 HA TRP 33 1.815 6.643 -4.177 222 HB2 TRP 33 1HB TRP 33 3.623 6.687 -6.003 223 HB3 TRP 33 2HB TRP 33 2.677 7.919 -6.801 224 HD1 TRP 33 HD TRP 33 1.958 9.709 -4.208 225 HE1 TRP 33 1HE TRP 33 3.833 11.011 -3.005 226 HE3 TRP 33 3HE TRP 33 5.955 7.093 -5.951 227 HZ2 TRP 33 2HZ TRP 33 6.725 10.945 -2.877 228 HZ3 TRP 33 3HZ TRP 33 8.290 7.720 -5.280 229 HH2 TRP 33 HH TRP 33 8.670 9.643 -3.748 230 H GLU 34 H GLU 34 0.632 7.912 -7.321 231 HA GLU 34 HA GLU 34 -0.779 10.073 -6.114 232 HB2 GLU 34 1HB GLU 34 -1.066 8.823 -8.883 233 HB3 GLU 34 2HB GLU 34 -1.815 10.345 -8.375 234 HG2 GLU 34 1HG GLU 34 0.478 11.178 -7.740 235 HG3 GLU 34 2HG GLU 34 1.172 9.767 -8.526 236 H LEU 35 H LEU 35 -1.957 6.840 -6.888 237 HA LEU 35 HA LEU 35 -4.761 7.420 -6.499 238 HB2 LEU 35 1HB LEU 35 -3.605 5.365 -7.634 239 HB3 LEU 35 2HB LEU 35 -3.405 4.762 -5.985 240 HG LEU 35 HG LEU 35 -5.973 5.087 -5.800 241 HD11 LEU 35 1HD1 LEU 35 -6.294 6.386 -7.875 242 HD12 LEU 35 2HD1 LEU 35 -7.205 4.868 -7.909 243 HD13 LEU 35 3HD1 LEU 35 -5.689 5.010 -8.825 244 HD21 LEU 35 1HD2 LEU 35 -6.364 2.864 -6.761 245 HD22 LEU 35 2HD2 LEU 35 -4.866 2.915 -5.824 246 HD23 LEU 35 3HD2 LEU 35 -4.794 2.951 -7.602 247 H PHE 36 H PHE 36 -2.118 6.654 -4.251 248 HA PHE 36 HA PHE 36 -3.962 6.166 -1.995 249 HB2 PHE 36 1HB PHE 36 -1.026 5.787 -2.501 250 HB3 PHE 36 2HB PHE 36 -1.611 5.812 -0.887 251 HD1 PHE 36 1HD PHE 36 -2.364 4.064 -4.151 252 HD2 PHE 36 2HD PHE 36 -2.284 3.814 0.140 253 HE1 PHE 36 1HE PHE 36 -3.006 1.672 -4.283 254 HE2 PHE 36 2HE PHE 36 -2.961 1.430 0.015 255 HZ PHE 36 HZ PHE 36 -3.347 0.362 -2.197 256 H LEU 37 H LEU 37 -2.255 8.884 -3.272 257 HA LEU 37 HA LEU 37 -1.935 10.499 -0.981 258 HB2 LEU 37 1HB LEU 37 -2.786 11.132 -3.830 259 HB3 LEU 37 2HB LEU 37 -2.504 12.388 -2.632 260 HG LEU 37 HG LEU 37 -0.403 10.431 -3.609 261 HD11 LEU 37 1HD1 LEU 37 0.580 12.380 -4.691 262 HD12 LEU 37 2HD1 LEU 37 -0.709 13.425 -4.051 263 HD13 LEU 37 3HD1 LEU 37 -1.090 12.179 -5.255 264 HD21 LEU 37 1HD2 LEU 37 1.174 11.911 -2.369 265 HD22 LEU 37 2HD2 LEU 37 0.047 11.062 -1.301 266 HD23 LEU 37 3HD2 LEU 37 -0.223 12.774 -1.675 267 H GLN 38 H GLN 38 -4.877 9.328 -2.268 268 HA GLN 38 HA GLN 38 -6.752 11.228 -1.188 269 HB2 GLN 38 1HB GLN 38 -7.131 8.232 -1.629 270 HB3 GLN 38 2HB GLN 38 -8.403 9.454 -1.479 271 HG2 GLN 38 1HG GLN 38 -7.511 10.563 -3.561 272 HG3 GLN 38 2HG GLN 38 -6.336 9.237 -3.685 273 HE21 GLN 38 1HE2 GLN 38 -7.046 7.160 -4.354 274 HE22 GLN 38 2HE2 GLN 38 -8.674 6.908 -5.007 275 H ALA 39 H ALA 39 -5.043 8.468 0.244 276 HA ALA 39 HA ALA 39 -6.626 8.478 2.715 277 HB1 ALA 39 1HB ALA 39 -5.622 6.398 1.833 278 HB2 ALA 39 2HB ALA 39 -4.007 7.106 1.974 279 HB3 ALA 39 3HB ALA 39 -4.959 6.793 3.434 280 H GLY 40 H GLY 40 -3.324 9.495 1.782 281 HA2 GLY 40 1HA GLY 40 -3.226 11.781 3.492 282 HA3 GLY 40 2HA GLY 40 -2.426 10.419 4.283 283 HA PRO 41 HA PRO 41 0.561 12.648 1.420 284 HB2 PRO 41 1HB PRO 41 2.565 13.132 3.235 285 HB3 PRO 41 2HB PRO 41 1.154 14.205 2.995 286 HG2 PRO 41 1HG PRO 41 1.499 12.040 5.092 287 HG3 PRO 41 2HG PRO 41 0.977 13.735 5.334 288 HD2 PRO 41 1HD PRO 41 -0.790 11.678 5.137 289 HD3 PRO 41 2HD PRO 41 -1.177 13.255 4.390 290 H VAL 42 H VAL 42 1.262 11.080 0.151 291 HA VAL 42 HA VAL 42 2.719 8.713 1.145 292 HB VAL 42 HB VAL 42 1.975 9.507 -1.686 293 HG11 VAL 42 1HG1 VAL 42 2.559 7.130 -2.208 294 HG12 VAL 42 2HG1 VAL 42 3.964 8.064 -1.718 295 HG13 VAL 42 3HG1 VAL 42 3.205 6.947 -0.569 296 HG21 VAL 42 1HG2 VAL 42 0.334 7.691 -1.546 297 HG22 VAL 42 2HG2 VAL 42 0.786 7.385 0.144 298 HG23 VAL 42 3HG2 VAL 42 -0.007 8.906 -0.315 299 H VAL 43 H VAL 43 4.785 8.486 1.140 300 HA VAL 43 HA VAL 43 6.559 10.767 0.418 301 HB VAL 43 HB VAL 43 7.119 8.433 2.289 302 HG11 VAL 43 1HG1 VAL 43 8.674 10.035 3.371 303 HG12 VAL 43 2HG1 VAL 43 9.115 9.743 1.681 304 HG13 VAL 43 3HG1 VAL 43 8.281 11.251 2.142 305 HG21 VAL 43 1HG2 VAL 43 5.116 9.516 3.147 306 HG22 VAL 43 2HG2 VAL 43 6.499 9.925 4.157 307 HG23 VAL 43 3HG2 VAL 43 5.870 11.120 2.996 308 H ASN 44 H ASN 44 6.126 7.302 -0.093 309 HA ASN 44 HA ASN 44 8.021 7.163 -2.302 310 HB2 ASN 44 1HB ASN 44 9.613 7.086 -0.485 311 HB3 ASN 44 2HB ASN 44 8.622 5.982 0.432 312 HD21 ASN 44 1HD2 ASN 44 9.749 4.126 0.621 313 HD22 ASN 44 2HD2 ASN 44 10.482 3.286 -0.758 314 H THR 45 H THR 45 8.095 4.878 -3.182 315 HA THR 45 HA THR 45 5.880 3.062 -2.456 316 HB THR 45 HB THR 45 5.454 2.746 -4.998 317 HG1 THR 45 1HG THR 45 6.484 5.365 -4.929 318 HG21 THR 45 1HG2 THR 45 4.335 5.277 -3.766 319 HG22 THR 45 2HG2 THR 45 3.759 3.624 -3.436 320 HG23 THR 45 3HG2 THR 45 3.649 4.264 -5.069 321 H HIS 46 H HIS 46 6.162 0.894 -3.288 322 HA HIS 46 HA HIS 46 8.716 0.293 -4.680 323 HB2 HIS 46 1HB HIS 46 9.076 0.123 -2.141 324 HB3 HIS 46 2HB HIS 46 7.858 -1.123 -2.132 325 HD2 HIS 46 2HD HIS 46 9.698 -2.858 -1.202 326 HE1 HIS 46 1HE HIS 46 11.850 -3.288 -4.861 327 HE2 HIS 46 2HE HIS 46 11.519 -4.235 -2.518 328 H MET 47 H MET 47 8.471 -1.334 -6.161 329 HA MET 47 HA MET 47 6.330 -3.362 -5.785 330 HB2 MET 47 1HB MET 47 6.611 -1.681 -8.289 331 HB3 MET 47 2HB MET 47 5.869 -3.280 -8.274 332 HG2 MET 47 1HG MET 47 4.184 -2.588 -6.701 333 HG3 MET 47 2HG MET 47 4.939 -1.010 -6.488 334 HE1 MET 47 1HE MET 47 4.292 -2.841 -10.024 335 HE2 MET 47 2HE MET 47 3.104 -3.411 -8.826 336 HE3 MET 47 3HE MET 47 2.587 -2.398 -10.198 337 HA PRO 48 HA PRO 48 10.312 -5.428 -6.567 338 HB2 PRO 48 1HB PRO 48 8.476 -7.718 -5.815 339 HB3 PRO 48 2HB PRO 48 10.206 -7.479 -5.397 340 HG2 PRO 48 1HG PRO 48 8.330 -6.853 -3.579 341 HG3 PRO 48 2HG PRO 48 9.650 -5.686 -3.886 342 HD2 PRO 48 1HD PRO 48 6.825 -5.658 -4.995 343 HD3 PRO 48 2HD PRO 48 7.764 -4.307 -4.279 344 H LYS 49 H LYS 49 11.103 -6.394 -8.381 345 HA LYS 49 HA LYS 49 9.186 -6.976 -10.592 346 HB2 LYS 49 1HB LYS 49 12.082 -6.106 -10.821 347 HB3 LYS 49 2HB LYS 49 10.928 -6.299 -12.134 348 HG2 LYS 49 1HG LYS 49 10.887 -4.174 -9.960 349 HG3 LYS 49 2HG LYS 49 11.278 -3.960 -11.667 350 HD2 LYS 49 1HD LYS 49 8.907 -4.698 -12.220 351 HD3 LYS 49 2HD LYS 49 8.549 -4.630 -10.490 352 HE2 LYS 49 1HE LYS 49 9.390 -2.320 -12.298 353 HE3 LYS 49 2HE LYS 49 7.804 -2.590 -11.571 354 HZ1 LYS 49 1HZ LYS 49 9.023 -2.422 -9.362 355 HZ2 LYS 49 2HZ LYS 49 8.845 -1.016 -10.176 356 HZ3 LYS 49 3HZ LYS 49 10.289 -1.796 -10.182 357 H ASP 50 H ASP 50 9.440 -8.624 -11.974 358 HA ASP 50 HA ASP 50 10.612 -11.086 -11.009 359 HB2 ASP 50 1HB ASP 50 8.480 -10.958 -12.267 360 HB3 ASP 50 2HB ASP 50 9.343 -10.336 -13.671 361 H ARG 51 H ARG 51 12.240 -12.361 -12.001 362 HA ARG 51 HA ARG 51 14.483 -10.740 -12.985 363 HB2 ARG 51 1HB ARG 51 15.893 -12.560 -12.274 364 HB3 ARG 51 2HB ARG 51 14.741 -12.159 -11.003 365 HG2 ARG 51 1HG ARG 51 13.340 -14.121 -11.641 366 HG3 ARG 51 2HG ARG 51 14.490 -14.515 -12.935 367 HD2 ARG 51 1HD ARG 51 16.286 -14.798 -11.258 368 HD3 ARG 51 2HD ARG 51 15.134 -14.411 -9.961 369 HE ARG 51 HE ARG 51 14.043 -16.550 -11.473 370 HH11 ARG 51 1HH1 ARG 51 16.766 -16.076 -9.319 371 HH12 ARG 51 2HH1 ARG 51 16.789 -17.750 -8.832 372 HH21 ARG 51 1HH2 ARG 51 14.128 -18.668 -10.809 373 HH22 ARG 51 2HH2 ARG 51 15.330 -19.172 -9.657 374 H VAL 52 H VAL 52 12.209 -12.342 -14.745 375 HA VAL 52 HA VAL 52 14.120 -12.753 -17.020 376 HB VAL 52 HB VAL 52 12.645 -14.693 -17.736 377 HG11 VAL 52 1HG1 VAL 52 14.970 -14.965 -16.931 378 HG12 VAL 52 2HG1 VAL 52 14.375 -15.112 -15.263 379 HG13 VAL 52 3HG1 VAL 52 13.947 -16.337 -16.475 380 HG21 VAL 52 1HG2 VAL 52 10.803 -14.417 -16.144 381 HG22 VAL 52 2HG2 VAL 52 11.523 -16.029 -16.074 382 HG23 VAL 52 3HG2 VAL 52 11.886 -14.844 -14.803 383 H THR 53 H THR 53 10.855 -12.004 -15.948 384 HA THR 53 HA THR 53 10.111 -11.201 -18.706 385 HB THR 53 HB THR 53 7.791 -11.064 -17.839 386 HG1 THR 53 1HG THR 53 8.962 -12.200 -15.522 387 HG21 THR 53 1HG2 THR 53 8.491 -13.095 -18.971 388 HG22 THR 53 2HG2 THR 53 7.451 -13.518 -17.596 389 HG23 THR 53 3HG2 THR 53 9.213 -13.742 -17.491 390 H GLY 54 H GLY 54 10.984 -9.933 -15.620 391 HA2 GLY 54 1HA GLY 54 11.536 -7.854 -14.969 392 HA3 GLY 54 2HA GLY 54 11.310 -7.328 -16.636 393 H GLN 55 H GLN 55 8.379 -8.576 -15.634 394 HA GLN 55 HA GLN 55 7.135 -5.962 -15.096 395 HB2 GLN 55 1HB GLN 55 5.050 -7.286 -14.941 396 HB3 GLN 55 2HB GLN 55 5.884 -7.485 -16.474 397 HG2 GLN 55 1HG GLN 55 6.484 -9.692 -16.050 398 HG3 GLN 55 2HG GLN 55 6.415 -9.524 -14.300 399 HE21 GLN 55 1HE2 GLN 55 4.235 -9.387 -13.254 400 HE22 GLN 55 2HE2 GLN 55 2.883 -10.137 -14.100 401 H HIS 56 H HIS 56 5.540 -5.885 -13.145 402 HA HIS 56 HA HIS 56 6.994 -6.467 -10.694 403 HB2 HIS 56 1HB HIS 56 5.190 -5.479 -9.528 404 HB3 HIS 56 2HB HIS 56 5.522 -4.501 -10.952 405 HD2 HIS 56 2HD HIS 56 3.446 -3.972 -12.484 406 HE1 HIS 56 1HE HIS 56 0.659 -6.724 -10.811 407 HE2 HIS 56 2HE HIS 56 0.929 -4.778 -12.406 408 H GLN 57 H GLN 57 6.265 -7.785 -8.954 409 HA GLN 57 HA GLN 57 5.556 -10.450 -9.918 410 HB2 GLN 57 1HB GLN 57 6.556 -9.430 -7.241 411 HB3 GLN 57 2HB GLN 57 6.285 -11.137 -7.625 412 HG2 GLN 57 1HG GLN 57 7.909 -11.002 -9.488 413 HG3 GLN 57 2HG GLN 57 8.222 -9.310 -9.107 414 HE21 GLN 57 1HE2 GLN 57 8.504 -12.651 -7.784 415 HE22 GLN 57 2HE2 GLN 57 9.795 -12.227 -6.668 416 H GLY 58 H GLY 58 3.348 -8.331 -9.562 417 HA2 GLY 58 1HA GLY 58 1.059 -8.663 -9.311 418 HA3 GLY 58 2HA GLY 58 1.340 -10.150 -8.410 419 H TYR 59 H TYR 59 3.265 -7.799 -6.991 420 HA TYR 59 HA TYR 59 1.188 -6.612 -5.278 421 HB2 TYR 59 1HB TYR 59 2.159 -7.370 -3.222 422 HB3 TYR 59 2HB TYR 59 1.712 -8.754 -4.193 423 HD1 TYR 59 1HD TYR 59 3.477 -10.140 -5.316 424 HD2 TYR 59 2HD TYR 59 4.462 -6.958 -2.571 425 HE1 TYR 59 1HE TYR 59 5.774 -11.068 -5.062 426 HE2 TYR 59 2HE TYR 59 6.729 -7.928 -2.266 427 HH TYR 59 HH TYR 59 8.196 -9.590 -2.870 428 H GLY 60 H GLY 60 1.985 -4.988 -3.835 429 HA2 GLY 60 1HA GLY 60 4.595 -3.710 -4.389 430 HA3 GLY 60 2HA GLY 60 3.135 -2.831 -4.849 431 H PHE 61 H PHE 61 4.469 -1.440 -3.254 432 HA PHE 61 HA PHE 61 3.070 -1.505 -0.656 433 HB2 PHE 61 1HB PHE 61 6.053 -1.021 -0.965 434 HB3 PHE 61 2HB PHE 61 5.153 -0.948 0.520 435 HD1 PHE 61 1HD PHE 61 4.605 -2.942 1.785 436 HD2 PHE 61 2HD PHE 61 6.560 -3.224 -2.047 437 HE1 PHE 61 1HE PHE 61 5.216 -5.305 2.267 438 HE2 PHE 61 2HE PHE 61 7.153 -5.587 -1.571 439 HZ PHE 61 HZ PHE 61 6.479 -6.633 0.586 440 H VAL 62 H VAL 62 2.892 0.510 0.366 441 HA VAL 62 HA VAL 62 3.783 2.941 -1.129 442 HB VAL 62 HB VAL 62 1.000 2.702 0.070 443 HG11 VAL 62 1HG1 VAL 62 2.313 4.783 -1.712 444 HG12 VAL 62 2HG1 VAL 62 0.624 4.786 -1.179 445 HG13 VAL 62 3HG1 VAL 62 1.903 4.980 0.012 446 HG21 VAL 62 1HG2 VAL 62 1.011 1.236 -1.863 447 HG22 VAL 62 2HG2 VAL 62 0.190 2.735 -2.292 448 HG23 VAL 62 3HG2 VAL 62 1.863 2.465 -2.824 449 H GLU 63 H GLU 63 4.751 4.406 0.147 450 HA GLU 63 HA GLU 63 4.821 3.888 3.085 451 HB2 GLU 63 1HB GLU 63 6.904 3.742 1.727 452 HB3 GLU 63 2HB GLU 63 6.687 5.449 1.298 453 HG2 GLU 63 1HG GLU 63 6.824 6.077 3.685 454 HG3 GLU 63 2HG GLU 63 7.079 4.386 4.121 455 H PHE 64 H PHE 64 3.669 5.203 4.344 456 HA PHE 64 HA PHE 64 2.928 7.931 3.430 457 HB2 PHE 64 1HB PHE 64 1.862 6.107 5.607 458 HB3 PHE 64 2HB PHE 64 1.421 7.797 5.458 459 HD1 PHE 64 1HD PHE 64 0.145 8.659 3.593 460 HD2 PHE 64 2HD PHE 64 1.069 4.463 3.895 461 HE1 PHE 64 1HE PHE 64 -1.591 8.146 1.875 462 HE2 PHE 64 2HE PHE 64 -0.670 3.956 2.188 463 HZ PHE 64 HZ PHE 64 -2.022 5.818 1.208 464 H LEU 65 H LEU 65 3.035 9.689 4.915 465 HA LEU 65 HA LEU 65 5.545 10.013 6.190 466 HB2 LEU 65 1HB LEU 65 3.894 11.771 5.264 467 HB3 LEU 65 2HB LEU 65 3.012 11.575 6.785 468 HG LEU 65 HG LEU 65 5.210 12.194 7.973 469 HD11 LEU 65 1HD1 LEU 65 6.812 13.531 6.629 470 HD12 LEU 65 2HD1 LEU 65 5.925 13.106 5.149 471 HD13 LEU 65 3HD1 LEU 65 6.771 11.851 6.082 472 HD21 LEU 65 1HD2 LEU 65 4.862 14.611 7.587 473 HD22 LEU 65 2HD2 LEU 65 3.316 13.760 7.732 474 HD23 LEU 65 3HD2 LEU 65 3.909 14.248 6.129 475 H SER 66 H SER 66 2.445 8.948 7.539 476 HA SER 66 HA SER 66 3.766 8.240 10.105 477 HB2 SER 66 1HB SER 66 1.143 9.768 9.992 478 HB3 SER 66 2HB SER 66 2.031 9.256 11.431 479 HG SER 66 HG SER 66 2.362 11.475 10.941 480 H GLU 67 H GLU 67 2.578 6.714 11.387 481 HA GLU 67 HA GLU 67 1.426 4.583 9.891 482 HB2 GLU 67 1HB GLU 67 2.639 4.323 11.998 483 HB3 GLU 67 2HB GLU 67 1.333 5.151 12.874 484 HG2 GLU 67 1HG GLU 67 -0.238 3.343 12.255 485 HG3 GLU 67 2HG GLU 67 1.015 2.567 11.284 486 H GLU 68 H GLU 68 -0.198 7.243 11.658 487 HA GLU 68 HA GLU 68 -2.828 6.097 11.477 488 HB2 GLU 68 1HB GLU 68 -3.643 8.282 12.117 489 HB3 GLU 68 2HB GLU 68 -2.247 7.832 13.095 490 HG2 GLU 68 1HG GLU 68 -0.800 9.292 11.652 491 HG3 GLU 68 2HG GLU 68 -2.232 9.775 10.740 492 H ASP 69 H ASP 69 -0.909 7.739 9.081 493 HA ASP 69 HA ASP 69 -3.178 8.215 7.247 494 HB2 ASP 69 1HB ASP 69 -0.167 8.489 6.953 495 HB3 ASP 69 2HB ASP 69 -1.315 8.861 5.682 496 H ALA 70 H ALA 70 -0.652 5.778 7.817 497 HA ALA 70 HA ALA 70 -1.201 4.212 5.436 498 HB1 ALA 70 1HB ALA 70 0.151 3.517 8.094 499 HB2 ALA 70 2HB ALA 70 0.185 2.517 6.642 500 HB3 ALA 70 3HB ALA 70 0.956 4.112 6.628 501 H ASP 71 H ASP 71 -2.251 3.986 8.871 502 HA ASP 71 HA ASP 71 -3.935 1.737 8.694 503 HB2 ASP 71 1HB ASP 71 -3.222 2.849 10.772 504 HB3 ASP 71 2HB ASP 71 -4.221 4.249 10.381 505 H TYR 72 H TYR 72 -4.643 5.126 7.815 506 HA TYR 72 HA TYR 72 -7.448 4.657 7.256 507 HB2 TYR 72 1HB TYR 72 -6.354 6.881 7.798 508 HB3 TYR 72 2HB TYR 72 -5.703 6.887 6.164 509 HD1 TYR 72 1HD TYR 72 -7.319 6.926 4.192 510 HD2 TYR 72 2HD TYR 72 -8.652 7.393 8.265 511 HE1 TYR 72 1HE TYR 72 -9.463 7.903 3.377 512 HE2 TYR 72 2HE TYR 72 -10.805 8.342 7.450 513 HH TYR 72 HH TYR 72 -12.052 8.946 5.625 514 H ALA 73 H ALA 73 -4.464 4.506 5.230 515 HA ALA 73 HA ALA 73 -5.892 4.163 2.736 516 HB1 ALA 73 1HB ALA 73 -3.066 3.319 3.521 517 HB2 ALA 73 2HB ALA 73 -3.715 3.499 1.877 518 HB3 ALA 73 3HB ALA 73 -3.532 4.922 2.918 519 H ILE 74 H ILE 74 -4.688 1.877 5.205 520 HA ILE 74 HA ILE 74 -5.486 -0.543 3.870 521 HB ILE 74 HB ILE 74 -5.264 0.065 6.847 522 HG12 ILE 74 1HG1 ILE 74 -3.213 -1.327 5.073 523 HG13 ILE 74 2HG1 ILE 74 -3.179 0.405 5.345 524 HG21 ILE 74 1HG2 ILE 74 -4.945 -2.445 7.048 525 HG22 ILE 74 2HG2 ILE 74 -6.557 -2.000 6.498 526 HG23 ILE 74 3HG2 ILE 74 -5.359 -2.583 5.334 527 HD11 ILE 74 1HD1 ILE 74 -2.928 -1.677 7.537 528 HD12 ILE 74 2HD1 ILE 74 -1.632 -0.709 6.817 529 HD13 ILE 74 3HD1 ILE 74 -2.901 0.089 7.749 530 H LYS 75 H LYS 75 -7.316 1.782 5.854 531 HA LYS 75 HA LYS 75 -9.732 0.213 6.014 532 HB2 LYS 75 1HB LYS 75 -9.194 2.010 7.587 533 HB3 LYS 75 2HB LYS 75 -9.301 3.216 6.303 534 HG2 LYS 75 1HG LYS 75 -11.673 2.763 5.979 535 HG3 LYS 75 2HG LYS 75 -11.601 1.440 7.159 536 HD2 LYS 75 1HD LYS 75 -11.005 3.080 8.943 537 HD3 LYS 75 2HD LYS 75 -10.988 4.375 7.743 538 HE2 LYS 75 1HE LYS 75 -13.061 4.537 8.912 539 HE3 LYS 75 2HE LYS 75 -13.408 3.970 7.276 540 HZ1 LYS 75 1HZ LYS 75 -13.622 1.711 8.182 541 HZ2 LYS 75 2HZ LYS 75 -14.638 2.715 8.966 542 HZ3 LYS 75 3HZ LYS 75 -13.260 2.233 9.690 543 H ILE 76 H ILE 76 -8.720 2.758 3.648 544 HA ILE 76 HA ILE 76 -11.270 2.392 2.242 545 HB ILE 76 HB ILE 76 -10.505 4.166 0.756 546 HG12 ILE 76 1HG1 ILE 76 -8.192 4.740 2.619 547 HG13 ILE 76 2HG1 ILE 76 -7.961 3.747 1.199 548 HG21 ILE 76 1HG2 ILE 76 -10.830 5.942 2.412 549 HG22 ILE 76 2HG2 ILE 76 -11.829 4.555 2.855 550 HG23 ILE 76 3HG2 ILE 76 -10.307 4.869 3.723 551 HD11 ILE 76 1HD1 ILE 76 -7.397 5.987 0.613 552 HD12 ILE 76 2HD1 ILE 76 -8.934 5.634 -0.180 553 HD13 ILE 76 3HD1 ILE 76 -8.901 6.626 1.304 554 H MET 77 H MET 77 -7.873 1.486 1.511 555 HA MET 77 HA MET 77 -8.644 0.831 -1.246 556 HB2 MET 77 1HB MET 77 -5.999 0.886 0.139 557 HB3 MET 77 2HB MET 77 -6.189 0.385 -1.535 558 HG2 MET 77 1HG MET 77 -7.177 3.076 -0.569 559 HG3 MET 77 2HG MET 77 -5.530 2.825 -1.079 560 HE1 MET 77 1HE MET 77 -7.030 4.885 -3.946 561 HE2 MET 77 2HE MET 77 -6.680 5.000 -2.216 562 HE3 MET 77 3HE MET 77 -5.421 4.426 -3.345 563 H ASP 78 H ASP 78 -9.071 -0.914 1.396 564 HA ASP 78 HA ASP 78 -8.081 -3.465 0.303 565 HB2 ASP 78 1HB ASP 78 -7.845 -3.034 2.720 566 HB3 ASP 78 2HB ASP 78 -9.604 -3.003 2.893 567 H MET 79 H MET 79 -9.260 -5.028 -0.640 568 HA MET 79 HA MET 79 -10.782 -5.914 -1.957 569 HB2 MET 79 1HB MET 79 -12.782 -4.932 0.088 570 HB3 MET 79 2HB MET 79 -13.205 -5.999 -1.244 571 HG2 MET 79 1HG MET 79 -10.943 -6.818 0.567 572 HG3 MET 79 2HG MET 79 -12.593 -6.913 1.150 573 HE1 MET 79 1HE MET 79 -11.298 -7.870 -2.649 574 HE2 MET 79 2HE MET 79 -10.010 -8.216 -1.466 575 HE3 MET 79 3HE MET 79 -10.875 -9.547 -2.266 576 H ILE 80 H ILE 80 -10.098 -2.953 -2.260 577 HA ILE 80 HA ILE 80 -12.144 -2.019 -4.136 578 HB ILE 80 HB ILE 80 -9.525 -1.066 -3.069 579 HG12 ILE 80 1HG1 ILE 80 -12.259 0.117 -3.635 580 HG13 ILE 80 2HG1 ILE 80 -11.524 -0.265 -2.079 581 HG21 ILE 80 1HG2 ILE 80 -8.969 -0.995 -5.436 582 HG22 ILE 80 2HG2 ILE 80 -10.421 0.006 -5.747 583 HG23 ILE 80 3HG2 ILE 80 -9.084 0.586 -4.707 584 HD11 ILE 80 1HD1 ILE 80 -9.807 1.578 -2.609 585 HD12 ILE 80 2HD1 ILE 80 -10.852 2.025 -3.965 586 HD13 ILE 80 3HD1 ILE 80 -11.471 2.108 -2.308 587 H LYS 81 H LYS 81 -11.854 -1.875 -6.413 588 HA LYS 81 HA LYS 81 -10.311 -4.168 -7.559 589 HB2 LYS 81 1HB LYS 81 -12.973 -2.952 -8.352 590 HB3 LYS 81 2HB LYS 81 -12.115 -4.211 -9.256 591 HG2 LYS 81 1HG LYS 81 -12.188 -5.653 -7.154 592 HG3 LYS 81 2HG LYS 81 -13.229 -4.425 -6.428 593 HD2 LYS 81 1HD LYS 81 -14.701 -6.084 -7.239 594 HD3 LYS 81 2HD LYS 81 -14.808 -4.758 -8.408 595 HE2 LYS 81 1HE LYS 81 -13.109 -6.000 -9.836 596 HE3 LYS 81 2HE LYS 81 -13.205 -7.340 -8.688 597 HZ1 LYS 81 1HZ LYS 81 -14.702 -7.685 -10.572 598 HZ2 LYS 81 2HZ LYS 81 -15.502 -6.296 -10.264 599 HZ3 LYS 81 3HZ LYS 81 -15.579 -7.537 -9.205 600 H LEU 82 H LEU 82 -8.505 -2.628 -7.620 601 HA LEU 82 HA LEU 82 -8.396 -0.432 -9.447 602 HB2 LEU 82 1HB LEU 82 -6.750 -0.970 -7.630 603 HB3 LEU 82 2HB LEU 82 -6.184 -2.346 -8.570 604 HG LEU 82 HG LEU 82 -5.305 -0.863 -10.303 605 HD11 LEU 82 1HD1 LEU 82 -5.317 1.648 -9.868 606 HD12 LEU 82 2HD1 LEU 82 -6.567 1.360 -8.646 607 HD13 LEU 82 3HD1 LEU 82 -6.869 0.979 -10.357 608 HD21 LEU 82 1HD2 LEU 82 -4.577 0.119 -7.506 609 HD22 LEU 82 2HD2 LEU 82 -3.575 0.273 -8.961 610 HD23 LEU 82 3HD2 LEU 82 -3.922 -1.331 -8.294 611 H TYR 83 H TYR 83 -8.196 -0.358 -11.714 612 HA TYR 83 HA TYR 83 -8.880 -1.162 -13.731 613 HB2 TYR 83 1HB TYR 83 -6.515 -2.993 -13.237 614 HB3 TYR 83 2HB TYR 83 -7.235 -2.675 -14.804 615 HD1 TYR 83 1HD TYR 83 -7.487 -0.116 -15.482 616 HD2 TYR 83 2HD TYR 83 -4.627 -1.704 -12.668 617 HE1 TYR 83 1HE TYR 83 -5.963 1.802 -15.943 618 HE2 TYR 83 2HE TYR 83 -3.106 0.202 -13.143 619 HH TYR 83 HH TYR 83 -2.741 2.086 -14.413 620 H GLY 84 H GLY 84 -10.480 -2.556 -11.610 621 HA2 GLY 84 1HA GLY 84 -12.258 -4.004 -11.762 622 HA3 GLY 84 2HA GLY 84 -11.767 -4.450 -13.393 623 H LYS 85 H LYS 85 -9.693 -4.839 -10.542 624 HA LYS 85 HA LYS 85 -9.959 -7.763 -10.447 625 HB2 LYS 85 1HB LYS 85 -8.280 -7.210 -12.164 626 HB3 LYS 85 2HB LYS 85 -7.368 -6.252 -10.999 627 HG2 LYS 85 1HG LYS 85 -6.874 -8.222 -9.657 628 HG3 LYS 85 2HG LYS 85 -7.940 -9.233 -10.643 629 HD2 LYS 85 1HD LYS 85 -5.497 -7.785 -11.754 630 HD3 LYS 85 2HD LYS 85 -5.445 -9.439 -11.132 631 HE2 LYS 85 1HE LYS 85 -7.007 -10.229 -12.796 632 HE3 LYS 85 2HE LYS 85 -7.361 -8.588 -13.346 633 HZ1 LYS 85 1HZ LYS 85 -5.154 -8.381 -14.212 634 HZ2 LYS 85 2HZ LYS 85 -5.792 -9.756 -14.809 635 HZ3 LYS 85 3HZ LYS 85 -4.688 -9.844 -13.607 636 HA PRO 86 HA PRO 86 -10.028 -6.042 -6.359 637 HB2 PRO 86 1HB PRO 86 -10.366 -8.305 -4.827 638 HB3 PRO 86 2HB PRO 86 -11.643 -7.533 -5.820 639 HG2 PRO 86 1HG PRO 86 -9.876 -9.884 -6.537 640 HG3 PRO 86 2HG PRO 86 -11.650 -9.721 -6.748 641 HD2 PRO 86 1HD PRO 86 -9.918 -9.279 -8.790 642 HD3 PRO 86 2HD PRO 86 -11.372 -8.241 -8.605 643 H ILE 87 H ILE 87 -8.594 -5.303 -4.983 644 HA ILE 87 HA ILE 87 -6.037 -6.759 -4.522 645 HB ILE 87 HB ILE 87 -5.104 -4.584 -3.812 646 HG12 ILE 87 1HG1 ILE 87 -7.428 -3.214 -5.192 647 HG13 ILE 87 2HG1 ILE 87 -7.436 -3.478 -3.444 648 HG21 ILE 87 1HG2 ILE 87 -6.138 -4.763 -6.675 649 HG22 ILE 87 2HG2 ILE 87 -4.793 -3.746 -6.132 650 HG23 ILE 87 3HG2 ILE 87 -4.665 -5.504 -6.016 651 HD11 ILE 87 1HD1 ILE 87 -5.341 -2.186 -3.230 652 HD12 ILE 87 2HD1 ILE 87 -5.340 -1.887 -4.985 653 HD13 ILE 87 3HD1 ILE 87 -6.639 -1.236 -3.974 654 H ARG 88 H ARG 88 -5.116 -6.853 -2.503 655 HA ARG 88 HA ARG 88 -6.865 -6.266 -0.140 656 HB2 ARG 88 1HB ARG 88 -5.001 -8.609 -0.635 657 HB3 ARG 88 2HB ARG 88 -5.407 -8.092 0.996 658 HG2 ARG 88 1HG ARG 88 -7.462 -8.966 -1.080 659 HG3 ARG 88 2HG ARG 88 -6.793 -9.969 0.214 660 HD2 ARG 88 1HD ARG 88 -7.627 -8.155 1.846 661 HD3 ARG 88 2HD ARG 88 -8.586 -7.533 0.488 662 HE ARG 88 HE ARG 88 -9.126 -10.284 0.653 663 HH11 ARG 88 1HH1 ARG 88 -9.746 -7.453 2.718 664 HH12 ARG 88 2HH1 ARG 88 -10.931 -8.332 3.631 665 HH21 ARG 88 1HH2 ARG 88 -10.738 -11.238 1.830 666 HH22 ARG 88 2HH2 ARG 88 -11.520 -10.365 3.112 667 H VAL 89 H VAL 89 -6.015 -5.201 1.538 668 HA VAL 89 HA VAL 89 -3.236 -4.160 1.285 669 HB VAL 89 HB VAL 89 -5.683 -2.441 1.833 670 HG11 VAL 89 1HG1 VAL 89 -2.770 -1.656 1.372 671 HG12 VAL 89 2HG1 VAL 89 -4.138 -0.544 1.600 672 HG13 VAL 89 3HG1 VAL 89 -3.624 -1.585 2.923 673 HG21 VAL 89 1HG2 VAL 89 -5.078 -1.392 -0.382 674 HG22 VAL 89 2HG2 VAL 89 -3.906 -2.697 -0.629 675 HG23 VAL 89 3HG2 VAL 89 -5.642 -3.055 -0.543 676 H ASN 90 H ASN 90 -2.144 -3.812 3.152 677 HA ASN 90 HA ASN 90 -3.336 -3.749 5.814 678 HB2 ASN 90 1HB ASN 90 -3.387 -6.240 5.063 679 HB3 ASN 90 2HB ASN 90 -1.634 -6.159 5.074 680 HD21 ASN 90 1HD2 ASN 90 -2.247 -8.055 6.620 681 HD22 ASN 90 2HD2 ASN 90 -2.426 -7.597 8.308 682 H LYS 91 H LYS 91 -1.381 -3.997 7.453 683 HA LYS 91 HA LYS 91 0.683 -2.054 7.024 684 HB2 LYS 91 1HB LYS 91 0.705 -4.507 8.830 685 HB3 LYS 91 2HB LYS 91 1.692 -3.066 9.041 686 HG2 LYS 91 1HG LYS 91 -1.349 -3.203 9.289 687 HG3 LYS 91 2HG LYS 91 -0.219 -3.312 10.617 688 HD2 LYS 91 1HD LYS 91 -0.415 -0.917 8.730 689 HD3 LYS 91 2HD LYS 91 -1.313 -1.032 10.222 690 HE2 LYS 91 1HE LYS 91 1.732 -1.053 9.932 691 HE3 LYS 91 2HE LYS 91 0.775 0.359 10.354 692 HZ1 LYS 91 1HZ LYS 91 0.359 -1.893 12.130 693 HZ2 LYS 91 2HZ LYS 91 0.640 -0.303 12.482 694 HZ3 LYS 91 3HZ LYS 91 1.886 -1.282 12.154 695 H ALA 92 H ALA 92 2.877 -2.262 6.372 696 HA ALA 92 HA ALA 92 3.686 -4.682 4.943 697 HB1 ALA 92 1HB ALA 92 5.784 -3.487 4.602 698 HB2 ALA 92 2HB ALA 92 4.404 -2.429 4.251 699 HB3 ALA 92 3HB ALA 92 5.302 -2.247 5.778 700 H SER 93 H SER 93 4.336 -3.345 8.210 701 HA SER 93 HA SER 93 6.196 -5.411 8.984 702 HB2 SER 93 1HB SER 93 4.503 -3.623 10.764 703 HB3 SER 93 2HB SER 93 5.960 -4.525 11.227 704 HG SER 93 HG SER 93 6.401 -2.352 10.800 705 H ALA 94 H ALA 94 2.727 -4.968 9.565 706 HA ALA 94 HA ALA 94 1.108 -6.197 10.598 707 HB1 ALA 94 1HB ALA 94 2.216 -8.099 8.521 708 HB2 ALA 94 2HB ALA 94 0.585 -8.164 9.237 709 HB3 ALA 94 3HB ALA 94 1.064 -6.761 8.273 710 H HIS 95 H HIS 95 2.034 -6.231 12.695 711 HA HIS 95 HA HIS 95 2.679 -8.960 13.740 712 HB2 HIS 95 1HB HIS 95 4.316 -7.905 15.246 713 HB3 HIS 95 2HB HIS 95 4.724 -7.661 13.556 714 HD2 HIS 95 2HD HIS 95 4.149 -5.177 12.502 715 HE1 HIS 95 1HE HIS 95 4.063 -3.118 16.227 716 HE2 HIS 95 2HE HIS 95 4.127 -2.829 13.683 717 H ASN 96 H ASN 96 0.139 -7.191 13.704 718 HA ASN 96 HA ASN 96 -0.354 -6.206 16.312 719 HB2 ASN 96 1HB ASN 96 -1.569 -5.605 14.189 720 HB3 ASN 96 2HB ASN 96 -2.366 -7.180 14.239 721 HD21 ASN 96 1HD2 ASN 96 -4.357 -5.808 14.225 722 HD22 ASN 96 2HD2 ASN 96 -4.910 -5.164 15.765 723 H LYS 97 H LYS 97 -1.410 -6.986 18.091 724 HA LYS 97 HA LYS 97 -2.222 -9.821 18.339 725 HB2 LYS 97 1HB LYS 97 0.251 -9.765 18.692 726 HB3 LYS 97 2HB LYS 97 0.036 -8.574 19.979 727 HG2 LYS 97 1HG LYS 97 -1.229 -10.239 21.316 728 HG3 LYS 97 2HG LYS 97 -1.077 -11.415 19.993 729 HD2 LYS 97 1HD LYS 97 1.402 -11.362 20.252 730 HD3 LYS 97 2HD LYS 97 1.242 -10.133 21.510 731 HE2 LYS 97 1HE LYS 97 1.608 -12.201 22.625 732 HE3 LYS 97 2HE LYS 97 -0.076 -11.750 22.900 733 HZ1 LYS 97 1HZ LYS 97 0.165 -14.104 22.309 734 HZ2 LYS 97 2HZ LYS 97 0.858 -13.732 20.882 735 HZ3 LYS 97 3HZ LYS 97 -0.708 -13.349 21.159 736 H ASN 98 H ASN 98 -3.636 -10.178 20.024 737 HA ASN 98 HA ASN 98 -4.862 -7.864 21.365 738 HB2 ASN 98 1HB ASN 98 -5.510 -10.840 21.376 739 HB3 ASN 98 2HB ASN 98 -6.431 -9.618 22.247 740 HD21 ASN 98 1HD2 ASN 98 -7.835 -11.126 20.532 741 HD22 ASN 98 2HD2 ASN 98 -8.251 -10.178 19.111 742 H LEU 99 H LEU 99 -2.468 -7.647 22.221 743 HA LEU 99 HA LEU 99 -1.674 -9.305 24.445 744 HB2 LEU 99 1HB LEU 99 -0.137 -8.177 22.835 745 HB3 LEU 99 2HB LEU 99 -0.647 -6.613 23.464 746 HG LEU 99 HG LEU 99 0.337 -7.190 25.682 747 HD11 LEU 99 1HD1 LEU 99 1.336 -9.696 24.249 748 HD12 LEU 99 2HD1 LEU 99 0.203 -9.664 25.619 749 HD13 LEU 99 3HD1 LEU 99 1.868 -9.135 25.847 750 HD21 LEU 99 1HD2 LEU 99 2.683 -7.027 24.978 751 HD22 LEU 99 2HD2 LEU 99 1.655 -5.981 23.987 752 HD23 LEU 99 3HD2 LEU 99 2.241 -7.525 23.329 753 H SER 100 H SER 100 -1.540 -8.806 26.638 754 HA SER 100 HA SER 100 -3.051 -6.473 27.706 755 HB2 SER 100 1HB SER 100 -4.171 -7.938 29.316 756 HB3 SER 100 2HB SER 100 -4.581 -8.376 27.651 757 HG SER 100 HG SER 100 -4.086 -10.218 28.933 758 H GLY 101 H GLY 101 -2.731 -6.234 30.107 759 HA2 GLY 101 1HA GLY 101 -0.400 -7.307 31.415 760 HA3 GLY 101 2HA GLY 101 -0.070 -5.704 30.751 761 HA PRO 102 HA PRO 102 -1.824 -5.440 35.100 762 HB2 PRO 102 1HB PRO 102 0.404 -3.412 35.255 763 HB3 PRO 102 2HB PRO 102 -0.165 -4.562 36.505 764 HG2 PRO 102 1HG PRO 102 2.077 -5.108 35.097 765 HG3 PRO 102 2HG PRO 102 0.871 -6.408 35.375 766 HD2 PRO 102 1HD PRO 102 1.233 -4.679 32.906 767 HD3 PRO 102 2HD PRO 102 1.032 -6.453 33.022 768 H SER 103 H SER 103 -3.077 -3.821 36.083 769 HA SER 103 HA SER 103 -4.352 -1.933 34.369 770 HB2 SER 103 1HB SER 103 -4.444 -2.127 37.403 771 HB3 SER 103 2HB SER 103 -5.602 -1.270 36.368 772 HG SER 103 HG SER 103 -6.336 -3.374 36.943 773 H SER 104 H SER 104 -4.460 0.331 34.410 774 HA SER 104 HA SER 104 -1.961 1.714 34.947 775 HB2 SER 104 1HB SER 104 -3.161 3.645 33.942 776 HB3 SER 104 2HB SER 104 -3.182 2.188 32.934 777 HG SER 104 HG SER 104 -5.254 3.197 33.071 778 H GLY 105 H GLY 105 -4.790 1.229 36.839 779 HA2 GLY 105 1HA GLY 105 -3.831 2.446 39.185 780 HA3 GLY 105 2HA GLY 105 -4.879 3.635 38.406 Start of MODEL 3 1 H1 GLY 1 1H GLY 1 24.631 -12.794 3.436 2 H2 GLY 1 2H GLY 1 25.963 -13.226 4.282 3 H3 GLY 1 3H GLY 1 25.692 -11.647 3.931 4 HA2 GLY 1 1HA GLY 1 25.178 -12.056 6.239 5 HA3 GLY 1 2HA GLY 1 23.728 -11.608 5.321 6 H SER 2 H SER 2 22.500 -12.663 7.005 7 HA SER 2 HA SER 2 22.079 -15.551 6.514 8 HB2 SER 2 1HB SER 2 22.034 -16.045 8.930 9 HB3 SER 2 2HB SER 2 23.637 -15.550 8.372 10 HG SER 2 HG SER 2 23.049 -14.517 10.338 11 H SER 3 H SER 3 20.054 -16.357 7.350 12 HA SER 3 HA SER 3 17.881 -14.560 6.818 13 HB2 SER 3 1HB SER 3 17.820 -17.391 7.922 14 HB3 SER 3 2HB SER 3 16.452 -16.504 7.222 15 HG SER 3 HG SER 3 17.460 -17.900 5.694 16 H GLY 4 H GLY 4 16.215 -13.815 8.099 17 HA2 GLY 4 1HA GLY 4 15.714 -14.475 10.815 18 HA3 GLY 4 2HA GLY 4 16.682 -12.998 10.777 19 H SER 5 H SER 5 13.993 -13.217 11.767 20 HA SER 5 HA SER 5 12.151 -12.149 9.761 21 HB2 SER 5 1HB SER 5 10.545 -12.174 11.662 22 HB3 SER 5 2HB SER 5 11.310 -13.738 11.331 23 HG SER 5 HG SER 5 11.281 -13.234 13.581 24 H SER 6 H SER 6 14.106 -10.770 12.358 25 HA SER 6 HA SER 6 13.571 -8.060 11.384 26 HB2 SER 6 1HB SER 6 12.874 -7.159 13.547 27 HB3 SER 6 2HB SER 6 11.720 -8.365 12.970 28 HG SER 6 HG SER 6 12.213 -8.646 15.191 29 H GLY 7 H GLY 7 14.958 -6.431 12.374 30 HA2 GLY 7 1HA GLY 7 16.876 -6.765 14.333 31 HA3 GLY 7 2HA GLY 7 17.687 -7.281 12.851 32 HA PRO 8 HA PRO 8 17.803 -2.547 13.414 33 HB2 PRO 8 1HB PRO 8 20.764 -3.087 13.554 34 HB3 PRO 8 2HB PRO 8 19.794 -1.860 14.425 35 HG2 PRO 8 1HG PRO 8 20.611 -4.107 15.699 36 HG3 PRO 8 2HG PRO 8 18.936 -3.508 15.934 37 HD2 PRO 8 1HD PRO 8 19.895 -5.704 14.069 38 HD3 PRO 8 2HD PRO 8 18.526 -5.718 15.222 39 H ILE 9 H ILE 9 17.880 -1.308 11.602 40 HA ILE 9 HA ILE 9 19.714 -1.828 9.396 41 HB ILE 9 HB ILE 9 17.838 -3.458 9.062 42 HG12 ILE 9 1HG1 ILE 9 17.351 -3.031 6.722 43 HG13 ILE 9 2HG1 ILE 9 17.941 -1.381 6.848 44 HG21 ILE 9 1HG2 ILE 9 15.622 -2.718 8.371 45 HG22 ILE 9 2HG2 ILE 9 15.980 -2.143 10.001 46 HG23 ILE 9 3HG2 ILE 9 16.061 -1.020 8.628 47 HD11 ILE 9 1HD1 ILE 9 19.576 -2.948 5.814 48 HD12 ILE 9 2HD1 ILE 9 20.228 -2.198 7.277 49 HD13 ILE 9 3HD1 ILE 9 19.631 -3.876 7.326 50 H SER 10 H SER 10 19.764 -0.128 7.813 51 HA SER 10 HA SER 10 19.004 2.514 8.832 52 HB2 SER 10 1HB SER 10 20.404 3.298 6.925 53 HB3 SER 10 2HB SER 10 21.243 2.199 8.031 54 HG SER 10 HG SER 10 21.590 1.662 5.810 55 H GLU 11 H GLU 11 17.207 0.362 7.188 56 HA GLU 11 HA GLU 11 16.239 1.862 4.929 57 HB2 GLU 11 1HB GLU 11 16.343 -0.615 5.146 58 HB3 GLU 11 2HB GLU 11 15.029 -0.556 6.324 59 HG2 GLU 11 1HG GLU 11 13.476 0.234 4.636 60 HG3 GLU 11 2HG GLU 11 14.790 0.544 3.495 61 H ARG 12 H ARG 12 14.019 2.509 4.573 62 HA ARG 12 HA ARG 12 13.097 4.453 6.471 63 HB2 ARG 12 1HB ARG 12 11.835 3.345 3.924 64 HB3 ARG 12 2HB ARG 12 11.243 4.756 4.807 65 HG2 ARG 12 1HG ARG 12 13.355 5.951 4.433 66 HG3 ARG 12 2HG ARG 12 14.034 4.546 3.590 67 HD2 ARG 12 1HD ARG 12 12.246 4.697 1.891 68 HD3 ARG 12 2HD ARG 12 11.605 6.142 2.693 69 HE ARG 12 HE ARG 12 14.098 6.984 2.302 70 HH11 ARG 12 1HH1 ARG 12 12.105 5.286 -0.023 71 HH12 ARG 12 2HH1 ARG 12 12.895 6.036 -1.384 72 HH21 ARG 12 1HH2 ARG 12 15.064 7.900 0.528 73 HH22 ARG 12 2HH2 ARG 12 14.523 7.481 -1.070 74 H ASN 13 H ASN 13 10.850 4.694 7.178 75 HA ASN 13 HA ASN 13 10.358 2.653 9.104 76 HB2 ASN 13 1HB ASN 13 8.807 5.167 8.365 77 HB3 ASN 13 2HB ASN 13 8.427 4.148 9.748 78 HD21 ASN 13 1HD2 ASN 13 8.891 6.700 10.348 79 HD22 ASN 13 2HD2 ASN 13 10.475 6.870 11.093 80 H GLN 14 H GLN 14 9.752 0.699 8.294 81 HA GLN 14 HA GLN 14 7.689 0.292 6.379 82 HB2 GLN 14 1HB GLN 14 9.625 -1.208 6.920 83 HB3 GLN 14 2HB GLN 14 8.778 -1.707 8.391 84 HG2 GLN 14 1HG GLN 14 6.923 -2.592 7.018 85 HG3 GLN 14 2HG GLN 14 7.686 -1.975 5.546 86 HE21 GLN 14 1HE2 GLN 14 7.999 -4.368 8.183 87 HE22 GLN 14 2HE2 GLN 14 9.075 -5.442 7.279 88 H ASP 15 H ASP 15 7.436 0.871 9.808 89 HA ASP 15 HA ASP 15 4.869 -0.268 10.346 90 HB2 ASP 15 1HB ASP 15 6.197 2.212 11.506 91 HB3 ASP 15 2HB ASP 15 4.802 1.381 12.191 92 H ALA 16 H ALA 16 5.748 2.808 8.798 93 HA ALA 16 HA ALA 16 2.903 3.536 8.432 94 HB1 ALA 16 1HB ALA 16 5.440 5.117 7.869 95 HB2 ALA 16 2HB ALA 16 3.770 5.715 7.777 96 HB3 ALA 16 3HB ALA 16 4.451 5.243 9.344 97 H THR 17 H THR 17 4.695 1.371 6.950 98 HA THR 17 HA THR 17 3.972 2.201 4.175 99 HB THR 17 HB THR 17 5.818 -0.040 5.034 100 HG1 THR 17 1HG THR 17 6.619 2.105 5.372 101 HG21 THR 17 1HG2 THR 17 4.815 -0.478 2.812 102 HG22 THR 17 2HG2 THR 17 6.525 -0.051 2.656 103 HG23 THR 17 3HG2 THR 17 5.288 1.150 2.272 104 H VAL 18 H VAL 18 2.408 1.152 3.100 105 HA VAL 18 HA VAL 18 1.049 -1.159 4.434 106 HB VAL 18 HB VAL 18 -0.904 -0.737 3.138 107 HG11 VAL 18 1HG1 VAL 18 0.033 1.896 4.343 108 HG12 VAL 18 2HG1 VAL 18 -1.636 1.356 4.116 109 HG13 VAL 18 3HG1 VAL 18 -0.591 0.514 5.274 110 HG21 VAL 18 1HG2 VAL 18 -1.202 1.256 1.732 111 HG22 VAL 18 2HG2 VAL 18 0.509 1.665 1.934 112 HG23 VAL 18 3HG2 VAL 18 0.035 0.195 1.049 113 H TYR 19 H TYR 19 0.603 -2.986 3.288 114 HA TYR 19 HA TYR 19 2.165 -3.561 0.808 115 HB2 TYR 19 1HB TYR 19 2.627 -5.145 2.539 116 HB3 TYR 19 2HB TYR 19 0.942 -5.239 3.016 117 HD1 TYR 19 1HD TYR 19 -0.716 -6.501 1.706 118 HD2 TYR 19 2HD TYR 19 3.458 -6.478 0.633 119 HE1 TYR 19 1HE TYR 19 -1.080 -8.501 0.270 120 HE2 TYR 19 2HE TYR 19 3.095 -8.493 -0.795 121 HH TYR 19 HH TYR 19 -0.104 -10.067 -1.102 122 H VAL 20 H VAL 20 1.091 -4.107 -1.033 123 HA VAL 20 HA VAL 20 -1.895 -4.263 -1.051 124 HB VAL 20 HB VAL 20 -0.233 -2.801 -3.145 125 HG11 VAL 20 1HG1 VAL 20 -3.242 -3.019 -2.671 126 HG12 VAL 20 2HG1 VAL 20 -2.459 -2.054 -3.938 127 HG13 VAL 20 3HG1 VAL 20 -2.344 -3.822 -3.968 128 HG21 VAL 20 1HG2 VAL 20 -1.239 -0.722 -2.322 129 HG22 VAL 20 2HG2 VAL 20 -1.964 -1.596 -0.950 130 HG23 VAL 20 3HG2 VAL 20 -0.199 -1.445 -1.102 131 H GLY 21 H GLY 21 -2.275 -6.336 -1.589 132 HA2 GLY 21 1HA GLY 21 -0.559 -7.721 -3.617 133 HA3 GLY 21 2HA GLY 21 -1.582 -8.504 -2.423 134 H GLY 22 H GLY 22 -1.413 -8.568 -5.457 135 HA2 GLY 22 1HA GLY 22 -3.136 -9.585 -6.761 136 HA3 GLY 22 2HA GLY 22 -4.372 -8.693 -5.874 137 H LEU 23 H LEU 23 -1.405 -7.407 -7.396 138 HA LEU 23 HA LEU 23 -2.903 -5.194 -8.583 139 HB2 LEU 23 1HB LEU 23 0.052 -5.939 -8.644 140 HB3 LEU 23 2HB LEU 23 -0.628 -4.437 -9.259 141 HG LEU 23 HG LEU 23 -0.584 -5.341 -6.345 142 HD11 LEU 23 1HD1 LEU 23 0.963 -3.479 -6.062 143 HD12 LEU 23 2HD1 LEU 23 0.851 -3.078 -7.787 144 HD13 LEU 23 3HD1 LEU 23 1.581 -4.614 -7.281 145 HD21 LEU 23 1HD2 LEU 23 -2.566 -4.049 -6.564 146 HD22 LEU 23 2HD2 LEU 23 -1.804 -2.885 -7.660 147 HD23 LEU 23 3HD2 LEU 23 -1.341 -2.929 -5.952 148 H ASP 24 H ASP 24 -3.093 -4.713 -10.731 149 HA ASP 24 HA ASP 24 -2.936 -6.968 -12.599 150 HB2 ASP 24 1HB ASP 24 -4.955 -5.549 -12.516 151 HB3 ASP 24 2HB ASP 24 -3.990 -4.127 -12.917 152 H GLU 25 H GLU 25 -1.915 -6.737 -14.759 153 HA GLU 25 HA GLU 25 0.788 -5.892 -14.652 154 HB2 GLU 25 1HB GLU 25 0.876 -6.448 -17.001 155 HB3 GLU 25 2HB GLU 25 -0.032 -7.666 -16.107 156 HG2 GLU 25 1HG GLU 25 -2.168 -6.656 -16.909 157 HG3 GLU 25 2HG GLU 25 -1.254 -5.444 -17.808 158 H LYS 26 H LYS 26 -2.034 -3.951 -15.450 159 HA LYS 26 HA LYS 26 -0.488 -1.789 -16.697 160 HB2 LYS 26 1HB LYS 26 -3.355 -1.960 -15.701 161 HB3 LYS 26 2HB LYS 26 -2.668 -0.568 -16.547 162 HG2 LYS 26 1HG LYS 26 -2.117 -1.999 -18.496 163 HG3 LYS 26 2HG LYS 26 -2.861 -3.388 -17.708 164 HD2 LYS 26 1HD LYS 26 -4.263 -0.804 -18.501 165 HD3 LYS 26 2HD LYS 26 -4.345 -2.328 -19.379 166 HE2 LYS 26 1HE LYS 26 -5.403 -1.819 -16.564 167 HE3 LYS 26 2HE LYS 26 -6.370 -1.912 -18.040 168 HZ1 LYS 26 1HZ LYS 26 -5.515 -4.247 -18.271 169 HZ2 LYS 26 2HZ LYS 26 -6.461 -4.026 -16.957 170 HZ3 LYS 26 3HZ LYS 26 -4.844 -4.119 -16.770 171 H VAL 27 H VAL 27 -0.806 -2.712 -13.440 172 HA VAL 27 HA VAL 27 -0.769 -0.032 -12.268 173 HB VAL 27 HB VAL 27 -0.120 -2.725 -11.009 174 HG11 VAL 27 1HG1 VAL 27 0.872 -0.915 -9.681 175 HG12 VAL 27 2HG1 VAL 27 -0.654 -0.016 -9.718 176 HG13 VAL 27 3HG1 VAL 27 -0.541 -1.563 -8.874 177 HG21 VAL 27 1HG2 VAL 27 -2.392 -2.523 -10.007 178 HG22 VAL 27 2HG2 VAL 27 -2.671 -1.046 -10.945 179 HG23 VAL 27 3HG2 VAL 27 -2.469 -2.607 -11.768 180 H SER 28 H SER 28 0.918 1.190 -11.654 181 HA SER 28 HA SER 28 3.688 0.084 -11.636 182 HB2 SER 28 1HB SER 28 2.876 2.712 -12.948 183 HB3 SER 28 2HB SER 28 4.537 2.138 -12.704 184 HG SER 28 HG SER 28 3.756 1.700 -14.822 185 H GLU 29 H GLU 29 5.202 1.450 -10.346 186 HA GLU 29 HA GLU 29 4.152 2.128 -7.835 187 HB2 GLU 29 1HB GLU 29 6.765 2.713 -9.255 188 HB3 GLU 29 2HB GLU 29 6.466 3.448 -7.694 189 HG2 GLU 29 1HG GLU 29 6.715 1.519 -6.548 190 HG3 GLU 29 2HG GLU 29 5.827 0.578 -7.721 191 HA PRO 30 HA PRO 30 4.077 6.826 -8.947 192 HB2 PRO 30 1HB PRO 30 3.488 6.648 -11.902 193 HB3 PRO 30 2HB PRO 30 4.351 7.932 -10.994 194 HG2 PRO 30 1HG PRO 30 5.760 6.122 -12.419 195 HG3 PRO 30 2HG PRO 30 6.300 6.544 -10.758 196 HD2 PRO 30 1HD PRO 30 4.638 4.166 -11.643 197 HD3 PRO 30 2HD PRO 30 6.094 4.197 -10.607 198 H LEU 31 H LEU 31 2.032 4.363 -10.504 199 HA LEU 31 HA LEU 31 -0.437 5.910 -10.395 200 HB2 LEU 31 1HB LEU 31 -0.176 3.885 -11.872 201 HB3 LEU 31 2HB LEU 31 -0.036 2.889 -10.427 202 HG LEU 31 HG LEU 31 -2.377 3.750 -9.718 203 HD11 LEU 31 1HD1 LEU 31 -2.353 4.545 -12.657 204 HD12 LEU 31 2HD1 LEU 31 -2.482 5.663 -11.273 205 HD13 LEU 31 3HD1 LEU 31 -3.783 4.505 -11.593 206 HD21 LEU 31 1HD2 LEU 31 -2.018 1.503 -10.517 207 HD22 LEU 31 2HD2 LEU 31 -1.957 2.060 -12.213 208 HD23 LEU 31 3HD2 LEU 31 -3.471 2.148 -11.292 209 H LEU 32 H LEU 32 1.016 3.303 -8.377 210 HA LEU 32 HA LEU 32 -0.970 3.308 -6.365 211 HB2 LEU 32 1HB LEU 32 2.024 2.797 -5.995 212 HB3 LEU 32 2HB LEU 32 0.743 2.375 -4.863 213 HG LEU 32 HG LEU 32 1.273 1.152 -7.575 214 HD11 LEU 32 1HD1 LEU 32 1.108 -0.013 -4.760 215 HD12 LEU 32 2HD1 LEU 32 2.617 0.345 -5.642 216 HD13 LEU 32 3HD1 LEU 32 1.508 -0.898 -6.250 217 HD21 LEU 32 1HD2 LEU 32 -0.674 -0.377 -6.948 218 HD22 LEU 32 2HD2 LEU 32 -1.134 1.271 -7.417 219 HD23 LEU 32 3HD2 LEU 32 -1.103 0.800 -5.697 220 H TRP 33 H TRP 33 1.960 5.328 -6.590 221 HA TRP 33 HA TRP 33 1.728 6.637 -4.104 222 HB2 TRP 33 1HB TRP 33 3.616 6.682 -5.807 223 HB3 TRP 33 2HB TRP 33 2.717 7.874 -6.711 224 HD1 TRP 33 HD TRP 33 1.878 9.769 -4.191 225 HE1 TRP 33 1HE TRP 33 3.695 11.149 -3.007 226 HE3 TRP 33 3HE TRP 33 5.958 7.159 -5.737 227 HZ2 TRP 33 2HZ TRP 33 6.583 11.147 -2.811 228 HZ3 TRP 33 3HZ TRP 33 8.264 7.866 -5.056 229 HH2 TRP 33 HH TRP 33 8.574 9.857 -3.596 230 H GLU 34 H GLU 34 0.666 7.979 -7.254 231 HA GLU 34 HA GLU 34 -0.786 10.152 -6.100 232 HB2 GLU 34 1HB GLU 34 -0.980 8.839 -8.847 233 HB3 GLU 34 2HB GLU 34 -1.789 10.352 -8.398 234 HG2 GLU 34 1HG GLU 34 0.477 11.254 -7.720 235 HG3 GLU 34 2HG GLU 34 1.214 9.849 -8.481 236 H LEU 35 H LEU 35 -1.879 6.886 -6.840 237 HA LEU 35 HA LEU 35 -4.701 7.419 -6.495 238 HB2 LEU 35 1HB LEU 35 -3.504 5.415 -7.667 239 HB3 LEU 35 2HB LEU 35 -3.317 4.768 -6.030 240 HG LEU 35 HG LEU 35 -5.889 5.068 -5.883 241 HD11 LEU 35 1HD1 LEU 35 -5.558 5.071 -8.902 242 HD12 LEU 35 2HD1 LEU 35 -6.190 6.417 -7.924 243 HD13 LEU 35 3HD1 LEU 35 -7.087 4.893 -8.014 244 HD21 LEU 35 1HD2 LEU 35 -4.673 2.983 -7.720 245 HD22 LEU 35 2HD2 LEU 35 -6.251 2.867 -6.900 246 HD23 LEU 35 3HD2 LEU 35 -4.766 2.903 -5.944 247 H PHE 36 H PHE 36 -2.096 6.484 -4.226 248 HA PHE 36 HA PHE 36 -3.989 6.063 -2.009 249 HB2 PHE 36 1HB PHE 36 -1.053 5.610 -2.443 250 HB3 PHE 36 2HB PHE 36 -1.673 5.687 -0.841 251 HD1 PHE 36 1HD PHE 36 -2.201 3.669 0.196 252 HD2 PHE 36 2HD PHE 36 -2.620 3.947 -4.077 253 HE1 PHE 36 1HE PHE 36 -2.941 1.299 0.108 254 HE2 PHE 36 2HE PHE 36 -3.282 1.565 -4.173 255 HZ PHE 36 HZ PHE 36 -3.497 0.250 -2.074 256 H LEU 37 H LEU 37 -2.285 8.783 -3.223 257 HA LEU 37 HA LEU 37 -2.013 10.408 -0.937 258 HB2 LEU 37 1HB LEU 37 -2.876 10.965 -3.792 259 HB3 LEU 37 2HB LEU 37 -2.732 12.265 -2.615 260 HG LEU 37 HG LEU 37 -0.457 10.496 -3.550 261 HD11 LEU 37 1HD1 LEU 37 0.375 12.527 -4.599 262 HD12 LEU 37 2HD1 LEU 37 -0.998 13.459 -3.958 263 HD13 LEU 37 3HD1 LEU 37 -1.270 12.203 -5.180 264 HD21 LEU 37 1HD2 LEU 37 0.981 12.078 -2.283 265 HD22 LEU 37 2HD2 LEU 37 -0.070 11.114 -1.238 266 HD23 LEU 37 3HD2 LEU 37 -0.488 12.806 -1.577 267 H GLN 38 H GLN 38 -4.937 9.194 -2.265 268 HA GLN 38 HA GLN 38 -6.882 11.009 -1.198 269 HB2 GLN 38 1HB GLN 38 -7.092 7.991 -1.609 270 HB3 GLN 38 2HB GLN 38 -8.444 9.125 -1.445 271 HG2 GLN 38 1HG GLN 38 -7.741 10.266 -3.537 272 HG3 GLN 38 2HG GLN 38 -6.374 9.151 -3.659 273 HE21 GLN 38 1HE2 GLN 38 -7.685 9.051 -5.892 274 HE22 GLN 38 2HE2 GLN 38 -8.830 7.718 -5.961 275 H ALA 39 H ALA 39 -5.093 8.325 0.266 276 HA ALA 39 HA ALA 39 -6.684 8.304 2.729 277 HB1 ALA 39 1HB ALA 39 -5.645 6.246 1.865 278 HB2 ALA 39 2HB ALA 39 -4.041 6.983 1.980 279 HB3 ALA 39 3HB ALA 39 -4.962 6.660 3.456 280 H GLY 40 H GLY 40 -3.397 9.376 1.811 281 HA2 GLY 40 1HA GLY 40 -3.350 11.651 3.552 282 HA3 GLY 40 2HA GLY 40 -2.529 10.290 4.324 283 HA PRO 41 HA PRO 41 0.436 12.627 1.537 284 HB2 PRO 41 1HB PRO 41 2.414 13.109 3.381 285 HB3 PRO 41 2HB PRO 41 0.981 14.158 3.156 286 HG2 PRO 41 1HG PRO 41 1.356 11.950 5.201 287 HG3 PRO 41 2HG PRO 41 0.797 13.628 5.481 288 HD2 PRO 41 1HD PRO 41 -0.921 11.535 5.219 289 HD3 PRO 41 2HD PRO 41 -1.340 13.124 4.513 290 H VAL 42 H VAL 42 1.121 11.057 0.247 291 HA VAL 42 HA VAL 42 2.616 8.704 1.200 292 HB VAL 42 HB VAL 42 1.883 9.557 -1.619 293 HG11 VAL 42 1HG1 VAL 42 3.160 6.998 -0.551 294 HG12 VAL 42 2HG1 VAL 42 2.509 7.196 -2.187 295 HG13 VAL 42 3HG1 VAL 42 3.893 8.152 -1.682 296 HG21 VAL 42 1HG2 VAL 42 -0.096 8.893 -0.278 297 HG22 VAL 42 2HG2 VAL 42 0.274 7.701 -1.525 298 HG23 VAL 42 3HG2 VAL 42 0.720 7.379 0.166 299 H VAL 43 H VAL 43 4.689 8.479 1.191 300 HA VAL 43 HA VAL 43 6.453 10.783 0.495 301 HB VAL 43 HB VAL 43 7.017 8.458 2.374 302 HG11 VAL 43 1HG1 VAL 43 9.002 9.785 1.775 303 HG12 VAL 43 2HG1 VAL 43 8.151 11.287 2.225 304 HG13 VAL 43 3HG1 VAL 43 8.549 10.078 3.462 305 HG21 VAL 43 1HG2 VAL 43 5.734 11.133 3.066 306 HG22 VAL 43 2HG2 VAL 43 4.999 9.521 3.217 307 HG23 VAL 43 3HG2 VAL 43 6.370 9.950 4.236 308 H ASN 44 H ASN 44 6.044 7.315 -0.018 309 HA ASN 44 HA ASN 44 7.980 7.182 -2.197 310 HB2 ASN 44 1HB ASN 44 9.525 7.125 -0.334 311 HB3 ASN 44 2HB ASN 44 8.523 6.010 0.556 312 HD21 ASN 44 1HD2 ASN 44 9.753 4.232 0.818 313 HD22 ASN 44 2HD2 ASN 44 10.487 3.356 -0.538 314 H THR 45 H THR 45 8.055 4.932 -3.109 315 HA THR 45 HA THR 45 5.844 3.084 -2.420 316 HB THR 45 HB THR 45 5.455 2.805 -4.966 317 HG1 THR 45 1HG THR 45 7.145 4.272 -5.565 318 HG21 THR 45 1HG2 THR 45 4.363 5.338 -3.718 319 HG22 THR 45 2HG2 THR 45 3.767 3.691 -3.394 320 HG23 THR 45 3HG2 THR 45 3.660 4.345 -5.027 321 H HIS 46 H HIS 46 6.149 0.927 -3.204 322 HA HIS 46 HA HIS 46 8.695 0.316 -4.609 323 HB2 HIS 46 1HB HIS 46 9.103 0.198 -2.090 324 HB3 HIS 46 2HB HIS 46 7.868 -1.025 -2.009 325 HD2 HIS 46 2HD HIS 46 9.616 -2.833 -1.107 326 HE1 HIS 46 1HE HIS 46 11.827 -3.289 -4.728 327 HE2 HIS 46 2HE HIS 46 11.432 -4.241 -2.397 328 H MET 47 H MET 47 8.370 -1.225 -6.148 329 HA MET 47 HA MET 47 6.312 -3.341 -5.671 330 HB2 MET 47 1HB MET 47 6.542 -1.685 -8.195 331 HB3 MET 47 2HB MET 47 5.842 -3.303 -8.165 332 HG2 MET 47 1HG MET 47 4.134 -2.670 -6.634 333 HG3 MET 47 2HG MET 47 4.861 -1.089 -6.341 334 HE1 MET 47 1HE MET 47 4.313 -2.762 -9.970 335 HE2 MET 47 2HE MET 47 3.106 -3.420 -8.836 336 HE3 MET 47 3HE MET 47 2.601 -2.346 -10.162 337 HA PRO 48 HA PRO 48 10.307 -5.392 -6.445 338 HB2 PRO 48 1HB PRO 48 8.467 -7.688 -5.713 339 HB3 PRO 48 2HB PRO 48 10.193 -7.450 -5.283 340 HG2 PRO 48 1HG PRO 48 8.301 -6.841 -3.472 341 HG3 PRO 48 2HG PRO 48 9.629 -5.677 -3.756 342 HD2 PRO 48 1HD PRO 48 6.811 -5.615 -4.879 343 HD3 PRO 48 2HD PRO 48 7.760 -4.279 -4.150 344 H LYS 49 H LYS 49 11.081 -6.352 -8.276 345 HA LYS 49 HA LYS 49 9.139 -6.941 -10.465 346 HB2 LYS 49 1HB LYS 49 12.064 -6.183 -10.713 347 HB3 LYS 49 2HB LYS 49 10.901 -6.360 -12.021 348 HG2 LYS 49 1HG LYS 49 10.935 -4.196 -9.884 349 HG3 LYS 49 2HG LYS 49 11.315 -4.023 -11.598 350 HD2 LYS 49 1HD LYS 49 8.925 -4.688 -12.124 351 HD3 LYS 49 2HD LYS 49 8.577 -4.610 -10.393 352 HE2 LYS 49 1HE LYS 49 9.482 -2.313 -12.188 353 HE3 LYS 49 2HE LYS 49 7.875 -2.562 -11.502 354 HZ1 LYS 49 1HZ LYS 49 8.889 -1.019 -10.065 355 HZ2 LYS 49 2HZ LYS 49 10.333 -1.802 -10.050 356 HZ3 LYS 49 3HZ LYS 49 9.047 -2.428 -9.260 357 H ASP 50 H ASP 50 9.499 -8.565 -11.944 358 HA ASP 50 HA ASP 50 10.541 -11.077 -10.862 359 HB2 ASP 50 1HB ASP 50 8.393 -10.928 -12.092 360 HB3 ASP 50 2HB ASP 50 9.250 -10.350 -13.516 361 H ARG 51 H ARG 51 12.272 -12.287 -11.659 362 HA ARG 51 HA ARG 51 14.399 -10.700 -12.908 363 HB2 ARG 51 1HB ARG 51 15.917 -12.344 -12.093 364 HB3 ARG 51 2HB ARG 51 14.776 -11.923 -10.818 365 HG2 ARG 51 1HG ARG 51 13.496 -14.034 -11.305 366 HG3 ARG 51 2HG ARG 51 14.711 -14.450 -12.535 367 HD2 ARG 51 1HD ARG 51 16.477 -14.421 -10.807 368 HD3 ARG 51 2HD ARG 51 15.265 -14.017 -9.574 369 HE ARG 51 HE ARG 51 14.406 -16.376 -10.904 370 HH11 ARG 51 1HH1 ARG 51 16.995 -15.460 -8.729 371 HH12 ARG 51 2HH1 ARG 51 17.142 -17.070 -8.077 372 HH21 ARG 51 1HH2 ARG 51 14.644 -18.406 -10.030 373 HH22 ARG 51 2HH2 ARG 51 15.840 -18.689 -8.801 374 H VAL 52 H VAL 52 12.098 -12.293 -14.498 375 HA VAL 52 HA VAL 52 13.939 -13.221 -16.684 376 HB VAL 52 HB VAL 52 11.376 -14.632 -15.836 377 HG11 VAL 52 1HG1 VAL 52 13.564 -15.404 -17.816 378 HG12 VAL 52 2HG1 VAL 52 12.188 -16.426 -17.345 379 HG13 VAL 52 3HG1 VAL 52 11.898 -14.927 -18.223 380 HG21 VAL 52 1HG2 VAL 52 13.013 -15.064 -14.097 381 HG22 VAL 52 2HG2 VAL 52 12.874 -16.499 -15.107 382 HG23 VAL 52 3HG2 VAL 52 14.273 -15.419 -15.307 383 H THR 53 H THR 53 10.749 -11.994 -15.757 384 HA THR 53 HA THR 53 10.128 -11.242 -18.571 385 HB THR 53 HB THR 53 7.790 -11.026 -17.769 386 HG1 THR 53 1HG THR 53 8.824 -12.140 -15.378 387 HG21 THR 53 1HG2 THR 53 7.297 -13.397 -17.485 388 HG22 THR 53 2HG2 THR 53 8.994 -13.748 -17.092 389 HG23 THR 53 3HG2 THR 53 8.550 -13.192 -18.722 390 H GLY 54 H GLY 54 10.882 -9.921 -15.459 391 HA2 GLY 54 1HA GLY 54 11.467 -7.819 -14.865 392 HA3 GLY 54 2HA GLY 54 11.261 -7.330 -16.543 393 H GLN 55 H GLN 55 8.323 -8.597 -15.509 394 HA GLN 55 HA GLN 55 7.076 -5.968 -14.994 395 HB2 GLN 55 1HB GLN 55 4.990 -7.284 -14.798 396 HB3 GLN 55 2HB GLN 55 5.793 -7.477 -16.348 397 HG2 GLN 55 1HG GLN 55 6.362 -9.687 -15.971 398 HG3 GLN 55 2HG GLN 55 6.387 -9.536 -14.217 399 HE21 GLN 55 1HE2 GLN 55 4.260 -9.407 -13.058 400 HE22 GLN 55 2HE2 GLN 55 2.863 -10.133 -13.847 401 H HIS 56 H HIS 56 5.480 -5.945 -13.003 402 HA HIS 56 HA HIS 56 7.022 -6.460 -10.587 403 HB2 HIS 56 1HB HIS 56 5.179 -5.539 -9.383 404 HB3 HIS 56 2HB HIS 56 5.537 -4.531 -10.780 405 HD2 HIS 56 2HD HIS 56 3.502 -3.968 -12.345 406 HE1 HIS 56 1HE HIS 56 0.686 -6.779 -10.826 407 HE2 HIS 56 2HE HIS 56 0.990 -4.789 -12.361 408 H GLN 57 H GLN 57 6.342 -7.765 -8.798 409 HA GLN 57 HA GLN 57 5.744 -10.478 -9.649 410 HB2 GLN 57 1HB GLN 57 6.420 -9.280 -6.944 411 HB3 GLN 57 2HB GLN 57 6.245 -11.013 -7.258 412 HG2 GLN 57 1HG GLN 57 8.102 -10.936 -8.885 413 HG3 GLN 57 2HG GLN 57 8.312 -9.217 -8.576 414 HE21 GLN 57 1HE2 GLN 57 10.600 -9.868 -7.956 415 HE22 GLN 57 2HE2 GLN 57 10.827 -10.494 -6.327 416 H GLY 58 H GLY 58 3.432 -8.343 -9.465 417 HA2 GLY 58 1HA GLY 58 1.135 -8.695 -9.303 418 HA3 GLY 58 2HA GLY 58 1.392 -10.179 -8.389 419 H TYR 59 H TYR 59 3.258 -7.815 -6.915 420 HA TYR 59 HA TYR 59 1.122 -6.629 -5.276 421 HB2 TYR 59 1HB TYR 59 2.010 -7.365 -3.186 422 HB3 TYR 59 2HB TYR 59 1.675 -8.776 -4.165 423 HD1 TYR 59 1HD TYR 59 4.248 -6.827 -2.436 424 HD2 TYR 59 2HD TYR 59 3.565 -10.086 -5.184 425 HE1 TYR 59 1HE TYR 59 6.568 -7.649 -2.054 426 HE2 TYR 59 2HE TYR 59 5.902 -10.867 -4.836 427 HH TYR 59 HH TYR 59 7.916 -10.438 -3.849 428 H GLY 60 H GLY 60 1.865 -4.955 -3.854 429 HA2 GLY 60 1HA GLY 60 4.502 -3.700 -4.367 430 HA3 GLY 60 2HA GLY 60 3.045 -2.818 -4.839 431 H PHE 61 H PHE 61 4.381 -1.426 -3.259 432 HA PHE 61 HA PHE 61 2.986 -1.471 -0.662 433 HB2 PHE 61 1HB PHE 61 5.961 -0.961 -0.996 434 HB3 PHE 61 2HB PHE 61 5.071 -0.906 0.498 435 HD1 PHE 61 1HD PHE 61 6.582 -3.123 -2.034 436 HD2 PHE 61 2HD PHE 61 4.475 -2.925 1.716 437 HE1 PHE 61 1HE PHE 61 7.265 -5.455 -1.532 438 HE2 PHE 61 2HE PHE 61 5.168 -5.261 2.228 439 HZ PHE 61 HZ PHE 61 6.554 -6.531 0.599 440 H VAL 62 H VAL 62 2.813 0.539 0.359 441 HA VAL 62 HA VAL 62 3.755 2.973 -1.095 442 HB VAL 62 HB VAL 62 0.945 2.750 0.049 443 HG11 VAL 62 1HG1 VAL 62 2.329 4.853 -1.655 444 HG12 VAL 62 2HG1 VAL 62 0.631 4.878 -1.145 445 HG13 VAL 62 3HG1 VAL 62 1.892 5.013 0.068 446 HG21 VAL 62 1HG2 VAL 62 0.187 2.865 -2.336 447 HG22 VAL 62 2HG2 VAL 62 1.862 2.560 -2.841 448 HG23 VAL 62 3HG2 VAL 62 0.963 1.338 -1.919 449 H GLU 63 H GLU 63 4.728 4.401 0.220 450 HA GLU 63 HA GLU 63 4.724 3.877 3.156 451 HB2 GLU 63 1HB GLU 63 6.847 3.747 1.865 452 HB3 GLU 63 2HB GLU 63 6.625 5.451 1.425 453 HG2 GLU 63 1HG GLU 63 6.686 6.082 3.817 454 HG3 GLU 63 2HG GLU 63 6.968 4.399 4.258 455 H PHE 64 H PHE 64 3.607 5.202 4.424 456 HA PHE 64 HA PHE 64 2.850 7.925 3.508 457 HB2 PHE 64 1HB PHE 64 1.793 6.099 5.691 458 HB3 PHE 64 2HB PHE 64 1.334 7.784 5.525 459 HD1 PHE 64 1HD PHE 64 0.055 8.617 3.652 460 HD2 PHE 64 2HD PHE 64 1.040 4.436 3.981 461 HE1 PHE 64 1HE PHE 64 -1.643 8.072 1.905 462 HE2 PHE 64 2HE PHE 64 -0.665 3.897 2.250 463 HZ PHE 64 HZ PHE 64 -2.027 5.734 1.243 464 H LEU 65 H LEU 65 2.953 9.685 4.979 465 HA LEU 65 HA LEU 65 5.437 10.033 6.282 466 HB2 LEU 65 1HB LEU 65 3.757 11.771 5.365 467 HB3 LEU 65 2HB LEU 65 2.882 11.552 6.886 468 HG LEU 65 HG LEU 65 5.076 12.192 8.073 469 HD11 LEU 65 1HD1 LEU 65 5.761 13.144 5.255 470 HD12 LEU 65 2HD1 LEU 65 6.632 11.893 6.169 471 HD13 LEU 65 3HD1 LEU 65 6.650 13.567 6.736 472 HD21 LEU 65 1HD2 LEU 65 3.732 14.243 6.255 473 HD22 LEU 65 2HD2 LEU 65 4.686 14.608 7.712 474 HD23 LEU 65 3HD2 LEU 65 3.156 13.730 7.858 475 H SER 66 H SER 66 2.353 8.894 7.607 476 HA SER 66 HA SER 66 3.681 8.204 10.176 477 HB2 SER 66 1HB SER 66 1.010 9.642 10.084 478 HB3 SER 66 2HB SER 66 1.944 9.175 11.509 479 HG SER 66 HG SER 66 2.171 11.404 11.003 480 H GLU 67 H GLU 67 2.587 6.619 11.422 481 HA GLU 67 HA GLU 67 1.487 4.472 9.919 482 HB2 GLU 67 1HB GLU 67 2.785 4.238 11.968 483 HB3 GLU 67 2HB GLU 67 1.494 5.005 12.910 484 HG2 GLU 67 1HG GLU 67 -0.010 3.128 12.458 485 HG3 GLU 67 2HG GLU 67 1.138 2.441 11.308 486 H GLU 68 H GLU 68 -0.198 7.049 11.713 487 HA GLU 68 HA GLU 68 -2.802 5.813 11.552 488 HB2 GLU 68 1HB GLU 68 -3.670 7.956 12.254 489 HB3 GLU 68 2HB GLU 68 -2.259 7.517 13.213 490 HG2 GLU 68 1HG GLU 68 -0.857 9.053 11.807 491 HG3 GLU 68 2HG GLU 68 -2.304 9.523 10.911 492 H ASP 69 H ASP 69 -0.937 7.569 9.181 493 HA ASP 69 HA ASP 69 -3.244 8.017 7.382 494 HB2 ASP 69 1HB ASP 69 -0.250 8.411 7.062 495 HB3 ASP 69 2HB ASP 69 -1.421 8.738 5.798 496 H ALA 70 H ALA 70 -0.639 5.645 7.880 497 HA ALA 70 HA ALA 70 -1.195 4.100 5.495 498 HB1 ALA 70 1HB ALA 70 0.971 4.021 6.746 499 HB2 ALA 70 2HB ALA 70 0.147 3.324 8.148 500 HB3 ALA 70 3HB ALA 70 0.241 2.411 6.642 501 H ASP 71 H ASP 71 -2.271 3.845 8.924 502 HA ASP 71 HA ASP 71 -4.022 1.640 8.687 503 HB2 ASP 71 1HB ASP 71 -3.293 2.704 10.790 504 HB3 ASP 71 2HB ASP 71 -4.266 4.126 10.413 505 H TYR 72 H TYR 72 -4.589 5.036 7.772 506 HA TYR 72 HA TYR 72 -7.419 4.666 7.225 507 HB2 TYR 72 1HB TYR 72 -6.219 6.845 7.778 508 HB3 TYR 72 2HB TYR 72 -5.611 6.842 6.129 509 HD1 TYR 72 1HD TYR 72 -7.350 6.801 4.204 510 HD2 TYR 72 2HD TYR 72 -8.400 7.622 8.303 511 HE1 TYR 72 1HE TYR 72 -9.437 7.901 3.438 512 HE2 TYR 72 2HE TYR 72 -10.517 8.695 7.537 513 HH TYR 72 HH TYR 72 -11.373 8.971 4.067 514 H ALA 73 H ALA 73 -4.436 4.406 5.214 515 HA ALA 73 HA ALA 73 -5.865 4.101 2.706 516 HB1 ALA 73 1HB ALA 73 -3.072 3.196 3.534 517 HB2 ALA 73 2HB ALA 73 -3.700 3.348 1.878 518 HB3 ALA 73 3HB ALA 73 -3.499 4.792 2.889 519 H ILE 74 H ILE 74 -4.749 1.806 5.198 520 HA ILE 74 HA ILE 74 -5.611 -0.598 3.886 521 HB ILE 74 HB ILE 74 -5.364 0.079 6.844 522 HG12 ILE 74 1HG1 ILE 74 -3.409 -1.487 5.114 523 HG13 ILE 74 2HG1 ILE 74 -3.287 0.260 5.306 524 HG21 ILE 74 1HG2 ILE 74 -5.640 -2.622 5.449 525 HG22 ILE 74 2HG2 ILE 74 -5.193 -2.418 7.157 526 HG23 ILE 74 3HG2 ILE 74 -6.777 -1.907 6.605 527 HD11 ILE 74 1HD1 ILE 74 -3.003 0.032 7.714 528 HD12 ILE 74 2HD1 ILE 74 -3.110 -1.739 7.577 529 HD13 ILE 74 3HD1 ILE 74 -1.774 -0.858 6.813 530 H LYS 75 H LYS 75 -7.393 1.814 5.800 531 HA LYS 75 HA LYS 75 -9.858 0.317 5.967 532 HB2 LYS 75 1HB LYS 75 -9.287 2.108 7.529 533 HB3 LYS 75 2HB LYS 75 -9.322 3.305 6.231 534 HG2 LYS 75 1HG LYS 75 -11.703 2.946 5.867 535 HG3 LYS 75 2HG LYS 75 -11.713 1.641 7.070 536 HD2 LYS 75 1HD LYS 75 -11.062 3.272 8.830 537 HD3 LYS 75 2HD LYS 75 -11.024 4.569 7.613 538 HE2 LYS 75 1HE LYS 75 -13.432 4.181 7.132 539 HE3 LYS 75 2HE LYS 75 -13.470 2.891 8.341 540 HZ1 LYS 75 1HZ LYS 75 -14.279 4.988 9.259 541 HZ2 LYS 75 2HZ LYS 75 -12.877 5.748 8.917 542 HZ3 LYS 75 3HZ LYS 75 -12.911 4.556 10.036 543 H ILE 76 H ILE 76 -8.741 2.804 3.584 544 HA ILE 76 HA ILE 76 -11.290 2.492 2.160 545 HB ILE 76 HB ILE 76 -10.510 4.271 0.713 546 HG12 ILE 76 1HG1 ILE 76 -8.136 4.740 2.537 547 HG13 ILE 76 2HG1 ILE 76 -7.976 3.798 1.072 548 HG21 ILE 76 1HG2 ILE 76 -10.781 6.033 2.380 549 HG22 ILE 76 2HG2 ILE 76 -11.785 4.656 2.844 550 HG23 ILE 76 3HG2 ILE 76 -10.240 4.950 3.678 551 HD11 ILE 76 1HD1 ILE 76 -7.370 6.026 0.524 552 HD12 ILE 76 2HD1 ILE 76 -8.959 5.760 -0.200 553 HD13 ILE 76 3HD1 ILE 76 -8.812 6.695 1.314 554 H MET 77 H MET 77 -7.909 1.525 1.453 555 HA MET 77 HA MET 77 -8.668 0.894 -1.317 556 HB2 MET 77 1HB MET 77 -6.046 0.976 0.103 557 HB3 MET 77 2HB MET 77 -6.192 0.401 -1.550 558 HG2 MET 77 1HG MET 77 -7.246 3.116 -0.735 559 HG3 MET 77 2HG MET 77 -5.573 2.874 -1.165 560 HE1 MET 77 1HE MET 77 -5.486 4.426 -3.532 561 HE2 MET 77 2HE MET 77 -7.116 4.794 -4.141 562 HE3 MET 77 3HE MET 77 -6.771 4.964 -2.414 563 H ASP 78 H ASP 78 -9.137 -0.851 1.313 564 HA ASP 78 HA ASP 78 -8.138 -3.411 0.238 565 HB2 ASP 78 1HB ASP 78 -7.923 -2.966 2.653 566 HB3 ASP 78 2HB ASP 78 -9.682 -2.895 2.803 567 H MET 79 H MET 79 -9.283 -4.973 -0.697 568 HA MET 79 HA MET 79 -10.784 -5.908 -1.998 569 HB2 MET 79 1HB MET 79 -11.953 -6.033 0.296 570 HB3 MET 79 2HB MET 79 -13.092 -4.856 -0.364 571 HG2 MET 79 1HG MET 79 -13.654 -6.404 -2.189 572 HG3 MET 79 2HG MET 79 -12.410 -7.534 -1.660 573 HE1 MET 79 1HE MET 79 -12.575 -9.149 0.329 574 HE2 MET 79 2HE MET 79 -12.709 -7.802 1.483 575 HE3 MET 79 3HE MET 79 -13.871 -9.142 1.545 576 H ILE 80 H ILE 80 -10.149 -2.890 -2.315 577 HA ILE 80 HA ILE 80 -12.172 -1.979 -4.222 578 HB ILE 80 HB ILE 80 -9.562 -1.005 -3.143 579 HG12 ILE 80 1HG1 ILE 80 -12.304 0.167 -3.709 580 HG13 ILE 80 2HG1 ILE 80 -11.573 -0.218 -2.151 581 HG21 ILE 80 1HG2 ILE 80 -9.156 0.660 -4.793 582 HG22 ILE 80 2HG2 ILE 80 -9.008 -0.922 -5.508 583 HG23 ILE 80 3HG2 ILE 80 -10.483 0.044 -5.824 584 HD11 ILE 80 1HD1 ILE 80 -9.858 1.633 -2.662 585 HD12 ILE 80 2HD1 ILE 80 -10.893 2.080 -4.026 586 HD13 ILE 80 3HD1 ILE 80 -11.528 2.158 -2.377 587 H LYS 81 H LYS 81 -11.923 -1.902 -6.486 588 HA LYS 81 HA LYS 81 -10.353 -4.200 -7.578 589 HB2 LYS 81 1HB LYS 81 -12.954 -2.940 -8.479 590 HB3 LYS 81 2HB LYS 81 -12.106 -4.257 -9.312 591 HG2 LYS 81 1HG LYS 81 -12.280 -5.615 -7.163 592 HG3 LYS 81 2HG LYS 81 -13.308 -4.335 -6.513 593 HD2 LYS 81 1HD LYS 81 -14.823 -5.946 -7.296 594 HD3 LYS 81 2HD LYS 81 -14.822 -4.704 -8.556 595 HE2 LYS 81 1HE LYS 81 -13.111 -6.125 -9.808 596 HE3 LYS 81 2HE LYS 81 -13.331 -7.369 -8.575 597 HZ1 LYS 81 1HZ LYS 81 -15.680 -7.496 -9.205 598 HZ2 LYS 81 2HZ LYS 81 -14.743 -7.777 -10.510 599 HZ3 LYS 81 3HZ LYS 81 -15.490 -6.338 -10.340 600 H LEU 82 H LEU 82 -8.506 -2.701 -7.611 601 HA LEU 82 HA LEU 82 -8.302 -0.556 -9.497 602 HB2 LEU 82 1HB LEU 82 -6.715 -1.052 -7.618 603 HB3 LEU 82 2HB LEU 82 -6.134 -2.464 -8.501 604 HG LEU 82 HG LEU 82 -5.201 -1.058 -10.257 605 HD11 LEU 82 1HD1 LEU 82 -6.446 1.256 -8.713 606 HD12 LEU 82 2HD1 LEU 82 -6.743 0.804 -10.408 607 HD13 LEU 82 3HD1 LEU 82 -5.178 1.458 -9.936 608 HD21 LEU 82 1HD2 LEU 82 -3.486 0.104 -8.919 609 HD22 LEU 82 2HD2 LEU 82 -3.874 -1.467 -8.197 610 HD23 LEU 82 3HD2 LEU 82 -4.524 0.024 -7.483 611 H TYR 83 H TYR 83 -8.129 -0.568 -11.749 612 HA TYR 83 HA TYR 83 -8.814 -1.461 -13.731 613 HB2 TYR 83 1HB TYR 83 -6.373 -3.180 -13.232 614 HB3 TYR 83 2HB TYR 83 -7.106 -2.878 -14.798 615 HD1 TYR 83 1HD TYR 83 -7.448 -0.312 -15.446 616 HD2 TYR 83 2HD TYR 83 -4.543 -1.826 -12.642 617 HE1 TYR 83 1HE TYR 83 -6.031 1.696 -15.832 618 HE2 TYR 83 2HE TYR 83 -3.116 0.177 -13.048 619 HH TYR 83 HH TYR 83 -4.083 2.781 -15.311 620 H GLY 84 H GLY 84 -10.365 -2.806 -11.616 621 HA2 GLY 84 1HA GLY 84 -12.148 -4.244 -11.808 622 HA3 GLY 84 2HA GLY 84 -11.536 -4.822 -13.352 623 H LYS 85 H LYS 85 -9.406 -5.111 -10.579 624 HA LYS 85 HA LYS 85 -9.984 -7.967 -10.156 625 HB2 LYS 85 1HB LYS 85 -7.306 -6.691 -10.812 626 HB3 LYS 85 2HB LYS 85 -7.456 -8.271 -10.027 627 HG2 LYS 85 1HG LYS 85 -8.667 -9.197 -11.917 628 HG3 LYS 85 2HG LYS 85 -8.760 -7.611 -12.696 629 HD2 LYS 85 1HD LYS 85 -6.275 -7.547 -12.845 630 HD3 LYS 85 2HD LYS 85 -6.202 -9.182 -12.155 631 HE2 LYS 85 1HE LYS 85 -7.491 -10.072 -14.053 632 HE3 LYS 85 2HE LYS 85 -7.730 -8.438 -14.690 633 HZ1 LYS 85 1HZ LYS 85 -5.912 -9.523 -15.846 634 HZ2 LYS 85 2HZ LYS 85 -5.100 -9.792 -14.452 635 HZ3 LYS 85 3HZ LYS 85 -5.324 -8.256 -14.986 636 HA PRO 86 HA PRO 86 -10.097 -5.970 -6.211 637 HB2 PRO 86 1HB PRO 86 -10.592 -8.121 -4.559 638 HB3 PRO 86 2HB PRO 86 -11.793 -7.342 -5.636 639 HG2 PRO 86 1HG PRO 86 -10.152 -9.829 -6.154 640 HG3 PRO 86 2HG PRO 86 -11.899 -9.563 -6.458 641 HD2 PRO 86 1HD PRO 86 -10.039 -9.346 -8.440 642 HD3 PRO 86 2HD PRO 86 -11.432 -8.219 -8.394 643 H ILE 87 H ILE 87 -8.503 -5.119 -5.095 644 HA ILE 87 HA ILE 87 -6.026 -6.637 -4.536 645 HB ILE 87 HB ILE 87 -5.089 -4.462 -3.812 646 HG12 ILE 87 1HG1 ILE 87 -7.397 -3.090 -5.209 647 HG13 ILE 87 2HG1 ILE 87 -7.431 -3.353 -3.461 648 HG21 ILE 87 1HG2 ILE 87 -4.792 -3.640 -6.146 649 HG22 ILE 87 2HG2 ILE 87 -4.657 -5.396 -6.014 650 HG23 ILE 87 3HG2 ILE 87 -6.136 -4.668 -6.670 651 HD11 ILE 87 1HD1 ILE 87 -5.350 -2.054 -3.216 652 HD12 ILE 87 2HD1 ILE 87 -5.297 -1.783 -4.975 653 HD13 ILE 87 3HD1 ILE 87 -6.621 -1.110 -4.012 654 H ARG 88 H ARG 88 -5.112 -6.852 -2.543 655 HA ARG 88 HA ARG 88 -6.880 -6.433 -0.152 656 HB2 ARG 88 1HB ARG 88 -4.992 -8.699 -0.861 657 HB3 ARG 88 2HB ARG 88 -5.456 -8.388 0.807 658 HG2 ARG 88 1HG ARG 88 -7.517 -8.799 -1.400 659 HG3 ARG 88 2HG ARG 88 -6.829 -10.138 -0.491 660 HD2 ARG 88 1HD ARG 88 -8.291 -7.805 0.825 661 HD3 ARG 88 2HD ARG 88 -9.060 -9.302 0.334 662 HE ARG 88 HE ARG 88 -7.765 -10.548 1.918 663 HH11 ARG 88 1HH1 ARG 88 -7.559 -7.062 2.547 664 HH12 ARG 88 2HH1 ARG 88 -6.881 -7.346 4.120 665 HH21 ARG 88 1HH2 ARG 88 -6.981 -10.766 3.952 666 HH22 ARG 88 2HH2 ARG 88 -6.613 -9.363 4.907 667 H VAL 89 H VAL 89 -6.138 -5.287 1.477 668 HA VAL 89 HA VAL 89 -3.321 -4.299 1.343 669 HB VAL 89 HB VAL 89 -5.758 -2.598 1.943 670 HG11 VAL 89 1HG1 VAL 89 -4.225 -0.703 1.698 671 HG12 VAL 89 2HG1 VAL 89 -3.650 -1.765 2.979 672 HG13 VAL 89 3HG1 VAL 89 -2.865 -1.801 1.393 673 HG21 VAL 89 1HG2 VAL 89 -4.055 -2.825 -0.572 674 HG22 VAL 89 2HG2 VAL 89 -5.787 -3.191 -0.438 675 HG23 VAL 89 3HG2 VAL 89 -5.225 -1.528 -0.272 676 H ASN 90 H ASN 90 -2.210 -4.040 3.162 677 HA ASN 90 HA ASN 90 -3.348 -3.939 5.832 678 HB2 ASN 90 1HB ASN 90 -2.071 -5.998 6.635 679 HB3 ASN 90 2HB ASN 90 -3.500 -6.331 5.712 680 HD21 ASN 90 1HD2 ASN 90 -3.297 -7.514 3.764 681 HD22 ASN 90 2HD2 ASN 90 -1.737 -8.118 3.221 682 H LYS 91 H LYS 91 -1.413 -4.058 7.473 683 HA LYS 91 HA LYS 91 0.523 -2.012 6.790 684 HB2 LYS 91 1HB LYS 91 0.655 -4.052 9.033 685 HB3 LYS 91 2HB LYS 91 1.485 -2.508 8.967 686 HG2 LYS 91 1HG LYS 91 -1.549 -2.743 9.101 687 HG3 LYS 91 2HG LYS 91 -0.556 -2.801 10.533 688 HD2 LYS 91 1HD LYS 91 -0.124 -0.459 8.680 689 HD3 LYS 91 2HD LYS 91 -1.624 -0.540 9.601 690 HE2 LYS 91 1HE LYS 91 -0.141 0.734 10.913 691 HE3 LYS 91 2HE LYS 91 -0.406 -0.808 11.719 692 HZ1 LYS 91 1HZ LYS 91 1.888 -0.126 11.781 693 HZ2 LYS 91 2HZ LYS 91 2.014 -0.040 10.172 694 HZ3 LYS 91 3HZ LYS 91 1.817 -1.522 10.909 695 H ALA 92 H ALA 92 2.653 -2.215 6.067 696 HA ALA 92 HA ALA 92 3.672 -4.783 5.144 697 HB1 ALA 92 1HB ALA 92 4.263 -2.642 4.084 698 HB2 ALA 92 2HB ALA 92 5.067 -2.117 5.578 699 HB3 ALA 92 3HB ALA 92 5.706 -3.501 4.660 700 H SER 93 H SER 93 4.017 -2.838 8.088 701 HA SER 93 HA SER 93 5.148 -5.217 9.529 702 HB2 SER 93 1HB SER 93 5.550 -2.266 10.094 703 HB3 SER 93 2HB SER 93 5.870 -3.551 11.273 704 HG SER 93 HG SER 93 7.759 -3.114 10.210 705 H ALA 94 H ALA 94 3.235 -6.179 10.042 706 HA ALA 94 HA ALA 94 1.058 -4.641 11.326 707 HB1 ALA 94 1HB ALA 94 -0.243 -6.689 11.061 708 HB2 ALA 94 2HB ALA 94 0.496 -6.252 9.515 709 HB3 ALA 94 3HB ALA 94 1.193 -7.564 10.489 710 H HIS 95 H HIS 95 0.191 -5.163 13.353 711 HA HIS 95 HA HIS 95 1.686 -6.886 15.218 712 HB2 HIS 95 1HB HIS 95 1.998 -5.018 16.840 713 HB3 HIS 95 2HB HIS 95 2.981 -4.917 15.399 714 HD2 HIS 95 2HD HIS 95 2.464 -2.990 13.621 715 HE1 HIS 95 1HE HIS 95 0.147 -0.581 16.276 716 HE2 HIS 95 2HE HIS 95 1.489 -0.566 14.117 717 H ASN 96 H ASN 96 0.656 -6.544 17.525 718 HA ASN 96 HA ASN 96 -1.844 -7.812 17.358 719 HB2 ASN 96 1HB ASN 96 -0.126 -8.071 19.141 720 HB3 ASN 96 2HB ASN 96 -0.513 -6.458 19.744 721 HD21 ASN 96 1HD2 ASN 96 -0.662 -8.191 21.649 722 HD22 ASN 96 2HD2 ASN 96 -2.303 -8.745 21.950 723 H LYS 97 H LYS 97 -3.919 -7.222 17.524 724 HA LYS 97 HA LYS 97 -4.640 -4.363 17.275 725 HB2 LYS 97 1HB LYS 97 -6.450 -6.801 17.112 726 HB3 LYS 97 2HB LYS 97 -6.797 -5.170 16.549 727 HG2 LYS 97 1HG LYS 97 -4.814 -7.143 15.362 728 HG3 LYS 97 2HG LYS 97 -6.340 -6.607 14.664 729 HD2 LYS 97 1HD LYS 97 -5.448 -4.293 14.464 730 HD3 LYS 97 2HD LYS 97 -3.892 -4.827 15.110 731 HE2 LYS 97 1HE LYS 97 -5.197 -5.843 12.546 732 HE3 LYS 97 2HE LYS 97 -3.902 -4.647 12.642 733 HZ1 LYS 97 1HZ LYS 97 -2.529 -6.383 13.754 734 HZ2 LYS 97 2HZ LYS 97 -2.936 -6.788 12.212 735 HZ3 LYS 97 3HZ LYS 97 -3.698 -7.490 13.469 736 H ASN 98 H ASN 98 -4.602 -6.676 19.830 737 HA ASN 98 HA ASN 98 -6.907 -5.681 21.266 738 HB2 ASN 98 1HB ASN 98 -6.004 -7.998 21.482 739 HB3 ASN 98 2HB ASN 98 -4.550 -7.340 22.241 740 HD21 ASN 98 1HD2 ASN 98 -4.993 -8.574 24.195 741 HD22 ASN 98 2HD2 ASN 98 -6.218 -7.948 25.300 742 H LEU 99 H LEU 99 -7.033 -4.422 23.091 743 HA LEU 99 HA LEU 99 -4.908 -2.396 23.497 744 HB2 LEU 99 1HB LEU 99 -7.237 -1.725 22.969 745 HB3 LEU 99 2HB LEU 99 -7.802 -2.550 24.422 746 HG LEU 99 HG LEU 99 -6.537 -0.950 25.837 747 HD11 LEU 99 1HD1 LEU 99 -5.848 0.406 23.188 748 HD12 LEU 99 2HD1 LEU 99 -4.694 -0.318 24.333 749 HD13 LEU 99 3HD1 LEU 99 -5.608 1.117 24.801 750 HD21 LEU 99 1HD2 LEU 99 -8.876 -0.492 25.213 751 HD22 LEU 99 2HD2 LEU 99 -8.327 0.387 23.769 752 HD23 LEU 99 3HD2 LEU 99 -7.948 1.005 25.394 753 H SER 100 H SER 100 -6.409 -5.119 25.207 754 HA SER 100 HA SER 100 -5.358 -4.286 27.819 755 HB2 SER 100 1HB SER 100 -6.486 -6.190 28.720 756 HB3 SER 100 2HB SER 100 -7.572 -5.325 27.627 757 HG SER 100 HG SER 100 -7.646 -7.596 27.327 758 H GLY 101 H GLY 101 -4.214 -5.896 29.205 759 HA2 GLY 101 1HA GLY 101 -2.462 -7.878 28.044 760 HA3 GLY 101 2HA GLY 101 -1.600 -6.382 28.421 761 HA PRO 102 HA PRO 102 -2.053 -9.243 32.173 762 HB2 PRO 102 1HB PRO 102 0.571 -9.890 32.628 763 HB3 PRO 102 2HB PRO 102 -0.473 -10.761 31.463 764 HG2 PRO 102 1HG PRO 102 1.494 -8.520 30.881 765 HG3 PRO 102 2HG PRO 102 1.340 -10.100 30.047 766 HD2 PRO 102 1HD PRO 102 0.185 -7.846 29.058 767 HD3 PRO 102 2HD PRO 102 -0.643 -9.429 28.946 768 H SER 103 H SER 103 -1.848 -8.643 34.287 769 HA SER 103 HA SER 103 -0.942 -5.899 34.846 770 HB2 SER 103 1HB SER 103 -2.416 -7.865 36.628 771 HB3 SER 103 2HB SER 103 -2.219 -6.128 36.903 772 HG SER 103 HG SER 103 -3.450 -5.734 35.024 773 H SER 104 H SER 104 0.641 -8.832 35.063 774 HA SER 104 HA SER 104 1.852 -8.613 37.681 775 HB2 SER 104 1HB SER 104 1.515 -10.738 36.385 776 HB3 SER 104 2HB SER 104 2.835 -10.232 35.311 777 HG SER 104 HG SER 104 3.532 -11.590 37.060 778 H GLY 105 H GLY 105 4.053 -8.248 38.185 779 HA2 GLY 105 1HA GLY 105 6.036 -7.112 36.457 780 HA3 GLY 105 2HA GLY 105 5.175 -5.811 37.281 Start of MODEL 4 1 H1 GLY 1 1H GLY 1 35.581 17.622 -4.906 2 H2 GLY 1 2H GLY 1 35.658 17.473 -6.537 3 H3 GLY 1 3H GLY 1 36.027 16.196 -5.576 4 HA2 GLY 1 1HA GLY 1 33.365 17.436 -5.815 5 HA3 GLY 1 2HA GLY 1 33.847 15.900 -6.559 6 H SER 2 H SER 2 31.686 16.368 -4.661 7 HA SER 2 HA SER 2 32.382 15.502 -2.021 8 HB2 SER 2 1HB SER 2 29.709 15.352 -3.460 9 HB3 SER 2 2HB SER 2 29.968 15.228 -1.710 10 HG SER 2 HG SER 2 29.371 17.356 -2.350 11 H SER 3 H SER 3 31.898 13.551 -0.937 12 HA SER 3 HA SER 3 32.387 11.086 -2.414 13 HB2 SER 3 1HB SER 3 33.229 11.605 -0.097 14 HB3 SER 3 2HB SER 3 31.568 11.398 0.492 15 HG SER 3 HG SER 3 32.857 9.468 0.621 16 H GLY 4 H GLY 4 30.982 9.150 -2.132 17 HA2 GLY 4 1HA GLY 4 28.154 9.345 -1.674 18 HA3 GLY 4 2HA GLY 4 28.491 9.448 -3.403 19 H SER 5 H SER 5 27.013 7.468 -3.017 20 HA SER 5 HA SER 5 26.609 5.248 -3.034 21 HB2 SER 5 1HB SER 5 29.392 5.080 -4.219 22 HB3 SER 5 2HB SER 5 28.104 3.872 -4.374 23 HG SER 5 HG SER 5 28.199 5.282 -6.188 24 H SER 6 H SER 6 27.704 6.160 -0.486 25 HA SER 6 HA SER 6 28.292 3.534 0.705 26 HB2 SER 6 1HB SER 6 30.518 4.530 0.065 27 HB3 SER 6 2HB SER 6 30.172 5.886 1.155 28 HG SER 6 HG SER 6 31.410 4.194 2.149 29 H GLY 7 H GLY 7 28.015 3.479 2.965 30 HA2 GLY 7 1HA GLY 7 27.262 4.120 5.048 31 HA3 GLY 7 2HA GLY 7 26.957 5.749 4.488 32 HA PRO 8 HA PRO 8 22.884 3.197 4.237 33 HB2 PRO 8 1HB PRO 8 22.122 2.302 6.674 34 HB3 PRO 8 2HB PRO 8 23.300 1.398 5.672 35 HG2 PRO 8 1HG PRO 8 23.889 3.350 7.929 36 HG3 PRO 8 2HG PRO 8 24.531 1.689 7.712 37 HD2 PRO 8 1HD PRO 8 25.898 3.925 6.900 38 HD3 PRO 8 2HD PRO 8 25.994 2.375 6.010 39 H ILE 9 H ILE 9 20.724 3.827 5.085 40 HA ILE 9 HA ILE 9 20.508 6.622 5.836 41 HB ILE 9 HB ILE 9 18.194 6.403 5.808 42 HG12 ILE 9 1HG1 ILE 9 17.766 4.274 6.870 43 HG13 ILE 9 2HG1 ILE 9 16.938 4.472 5.346 44 HG21 ILE 9 1HG2 ILE 9 19.401 4.938 3.430 45 HG22 ILE 9 2HG2 ILE 9 17.843 5.783 3.476 46 HG23 ILE 9 3HG2 ILE 9 19.347 6.691 3.685 47 HD11 ILE 9 1HD1 ILE 9 17.676 2.178 5.580 48 HD12 ILE 9 2HD1 ILE 9 18.579 2.922 4.253 49 HD13 ILE 9 3HD1 ILE 9 19.346 2.677 5.846 50 H SER 10 H SER 10 19.769 7.544 7.755 51 HA SER 10 HA SER 10 20.555 6.213 10.187 52 HB2 SER 10 1HB SER 10 18.983 8.792 9.841 53 HB3 SER 10 2HB SER 10 19.872 8.281 11.285 54 HG SER 10 HG SER 10 21.805 8.419 10.095 55 H GLU 11 H GLU 11 17.441 6.559 8.601 56 HA GLU 11 HA GLU 11 16.159 4.781 10.551 57 HB2 GLU 11 1HB GLU 11 15.828 7.074 11.482 58 HB3 GLU 11 2HB GLU 11 15.044 7.565 9.978 59 HG2 GLU 11 1HG GLU 11 13.212 5.986 10.370 60 HG3 GLU 11 2HG GLU 11 14.059 5.294 11.758 61 H ARG 12 H ARG 12 14.399 3.661 9.666 62 HA ARG 12 HA ARG 12 13.535 4.269 6.900 63 HB2 ARG 12 1HB ARG 12 15.479 2.590 6.920 64 HB3 ARG 12 2HB ARG 12 14.426 1.503 7.808 65 HG2 ARG 12 1HG ARG 12 14.295 0.738 5.631 66 HG3 ARG 12 2HG ARG 12 12.809 1.657 5.783 67 HD2 ARG 12 1HD ARG 12 15.406 2.622 4.485 68 HD3 ARG 12 2HD ARG 12 14.038 1.968 3.603 69 HE ARG 12 HE ARG 12 14.335 4.662 4.648 70 HH11 ARG 12 1HH1 ARG 12 11.883 2.344 3.645 71 HH12 ARG 12 2HH1 ARG 12 10.731 3.622 3.301 72 HH21 ARG 12 1HH2 ARG 12 12.730 6.188 4.290 73 HH22 ARG 12 2HH2 ARG 12 11.124 5.644 3.836 74 H ASN 13 H ASN 13 11.436 3.758 6.446 75 HA ASN 13 HA ASN 13 9.713 3.237 8.775 76 HB2 ASN 13 1HB ASN 13 9.133 4.114 5.925 77 HB3 ASN 13 2HB ASN 13 7.895 3.903 7.152 78 HD21 ASN 13 1HD2 ASN 13 9.314 6.333 5.641 79 HD22 ASN 13 2HD2 ASN 13 9.458 7.471 6.984 80 H GLN 14 H GLN 14 8.226 1.660 8.988 81 HA GLN 14 HA GLN 14 7.687 -0.276 6.841 82 HB2 GLN 14 1HB GLN 14 9.614 -1.225 8.253 83 HB3 GLN 14 2HB GLN 14 8.487 -1.279 9.601 84 HG2 GLN 14 1HG GLN 14 8.510 -3.463 8.670 85 HG3 GLN 14 2HG GLN 14 6.977 -2.766 8.181 86 HE21 GLN 14 1HE2 GLN 14 7.163 -4.666 6.555 87 HE22 GLN 14 2HE2 GLN 14 8.084 -4.335 5.094 88 H ASP 15 H ASP 15 6.953 0.739 10.238 89 HA ASP 15 HA ASP 15 4.307 -0.342 10.255 90 HB2 ASP 15 1HB ASP 15 5.746 1.768 11.894 91 HB3 ASP 15 2HB ASP 15 4.039 1.435 12.146 92 H ALA 16 H ALA 16 5.479 2.823 9.171 93 HA ALA 16 HA ALA 16 2.762 3.720 8.476 94 HB1 ALA 16 1HB ALA 16 5.461 5.048 8.018 95 HB2 ALA 16 2HB ALA 16 3.858 5.789 7.832 96 HB3 ALA 16 3HB ALA 16 4.417 5.297 9.440 97 H THR 17 H THR 17 4.607 1.426 7.111 98 HA THR 17 HA THR 17 3.964 2.199 4.308 99 HB THR 17 HB THR 17 5.699 -0.112 5.205 100 HG1 THR 17 1HG THR 17 7.405 1.240 4.584 101 HG21 THR 17 1HG2 THR 17 5.434 1.278 2.494 102 HG22 THR 17 2HG2 THR 17 4.792 -0.331 2.890 103 HG23 THR 17 3HG2 THR 17 6.537 -0.049 2.875 104 H VAL 18 H VAL 18 2.437 1.110 3.192 105 HA VAL 18 HA VAL 18 0.995 -1.123 4.566 106 HB VAL 18 HB VAL 18 -0.953 -0.658 3.286 107 HG11 VAL 18 1HG1 VAL 18 -0.579 0.643 5.381 108 HG12 VAL 18 2HG1 VAL 18 0.094 1.972 4.414 109 HG13 VAL 18 3HG1 VAL 18 -1.597 1.501 4.205 110 HG21 VAL 18 1HG2 VAL 18 0.500 1.680 2.022 111 HG22 VAL 18 2HG2 VAL 18 0.027 0.191 1.167 112 HG23 VAL 18 3HG2 VAL 18 -1.212 1.272 1.813 113 H TYR 19 H TYR 19 0.461 -2.939 3.432 114 HA TYR 19 HA TYR 19 2.054 -3.622 0.998 115 HB2 TYR 19 1HB TYR 19 2.396 -5.192 2.774 116 HB3 TYR 19 2HB TYR 19 0.689 -5.221 3.189 117 HD1 TYR 19 1HD TYR 19 3.224 -6.464 0.795 118 HD2 TYR 19 2HD TYR 19 -0.934 -6.535 1.937 119 HE1 TYR 19 1HE TYR 19 2.860 -8.456 -0.654 120 HE2 TYR 19 2HE TYR 19 -1.303 -8.510 0.459 121 HH TYR 19 HH TYR 19 1.355 -9.998 -1.429 122 H VAL 20 H VAL 20 1.006 -4.137 -0.874 123 HA VAL 20 HA VAL 20 -1.983 -4.252 -0.951 124 HB VAL 20 HB VAL 20 -0.274 -2.862 -3.053 125 HG11 VAL 20 1HG1 VAL 20 -3.292 -3.038 -2.614 126 HG12 VAL 20 2HG1 VAL 20 -2.482 -2.116 -3.895 127 HG13 VAL 20 3HG1 VAL 20 -2.383 -3.886 -3.871 128 HG21 VAL 20 1HG2 VAL 20 -0.245 -1.449 -1.051 129 HG22 VAL 20 2HG2 VAL 20 -1.268 -0.749 -2.301 130 HG23 VAL 20 3HG2 VAL 20 -2.011 -1.575 -0.910 131 H GLY 21 H GLY 21 -2.391 -6.321 -1.471 132 HA2 GLY 21 1HA GLY 21 -0.662 -7.757 -3.459 133 HA3 GLY 21 2HA GLY 21 -1.688 -8.519 -2.254 134 H GLY 22 H GLY 22 -1.544 -8.685 -5.263 135 HA2 GLY 22 1HA GLY 22 -3.284 -9.701 -6.533 136 HA3 GLY 22 2HA GLY 22 -4.504 -8.771 -5.662 137 H LEU 23 H LEU 23 -1.552 -7.502 -7.237 138 HA LEU 23 HA LEU 23 -3.064 -5.290 -8.370 139 HB2 LEU 23 1HB LEU 23 -0.127 -6.090 -8.534 140 HB3 LEU 23 2HB LEU 23 -0.790 -4.577 -9.144 141 HG LEU 23 HG LEU 23 -0.718 -5.454 -6.222 142 HD11 LEU 23 1HD1 LEU 23 0.777 -3.264 -7.714 143 HD12 LEU 23 2HD1 LEU 23 1.461 -4.818 -7.206 144 HD13 LEU 23 3HD1 LEU 23 0.906 -3.652 -5.986 145 HD21 LEU 23 1HD2 LEU 23 -2.653 -4.088 -6.419 146 HD22 LEU 23 2HD2 LEU 23 -1.874 -2.982 -7.563 147 HD23 LEU 23 3HD2 LEU 23 -1.372 -2.999 -5.866 148 H ASP 24 H ASP 24 -3.181 -4.707 -10.532 149 HA ASP 24 HA ASP 24 -3.210 -6.960 -12.421 150 HB2 ASP 24 1HB ASP 24 -5.212 -5.545 -12.242 151 HB3 ASP 24 2HB ASP 24 -4.259 -4.105 -12.602 152 H GLU 25 H GLU 25 -2.254 -6.727 -14.613 153 HA GLU 25 HA GLU 25 0.473 -5.968 -14.545 154 HB2 GLU 25 1HB GLU 25 0.511 -6.520 -16.894 155 HB3 GLU 25 2HB GLU 25 -0.432 -7.706 -15.994 156 HG2 GLU 25 1HG GLU 25 -2.538 -6.617 -16.773 157 HG3 GLU 25 2HG GLU 25 -1.588 -5.434 -17.674 158 H LYS 26 H LYS 26 -2.284 -3.925 -15.270 159 HA LYS 26 HA LYS 26 -0.692 -1.823 -16.572 160 HB2 LYS 26 1HB LYS 26 -3.544 -1.896 -15.525 161 HB3 LYS 26 2HB LYS 26 -2.831 -0.533 -16.396 162 HG2 LYS 26 1HG LYS 26 -2.371 -1.985 -18.346 163 HG3 LYS 26 2HG LYS 26 -3.118 -3.356 -17.529 164 HD2 LYS 26 1HD LYS 26 -4.502 -0.757 -18.304 165 HD3 LYS 26 2HD LYS 26 -4.628 -2.285 -19.168 166 HE2 LYS 26 1HE LYS 26 -5.617 -1.730 -16.338 167 HE3 LYS 26 2HE LYS 26 -6.613 -1.846 -17.792 168 HZ1 LYS 26 1HZ LYS 26 -5.770 -4.192 -17.995 169 HZ2 LYS 26 2HZ LYS 26 -6.698 -3.942 -16.674 170 HZ3 LYS 26 3HZ LYS 26 -5.080 -4.039 -16.504 171 H VAL 27 H VAL 27 -0.994 -2.722 -13.308 172 HA VAL 27 HA VAL 27 -0.922 -0.068 -12.115 173 HB VAL 27 HB VAL 27 -0.223 -2.781 -10.929 174 HG11 VAL 27 1HG1 VAL 27 0.826 -1.015 -9.585 175 HG12 VAL 27 2HG1 VAL 27 -0.701 -0.116 -9.533 176 HG13 VAL 27 3HG1 VAL 27 -0.556 -1.695 -8.753 177 HG21 VAL 27 1HG2 VAL 27 -2.463 -2.578 -9.855 178 HG22 VAL 27 2HG2 VAL 27 -2.755 -1.079 -10.756 179 HG23 VAL 27 3HG2 VAL 27 -2.593 -2.622 -11.614 180 H SER 28 H SER 28 0.765 1.161 -11.431 181 HA SER 28 HA SER 28 3.553 0.142 -11.678 182 HB2 SER 28 1HB SER 28 4.259 2.192 -12.741 183 HB3 SER 28 2HB SER 28 2.967 1.463 -13.704 184 HG SER 28 HG SER 28 2.567 3.674 -13.450 185 H GLU 29 H GLU 29 5.139 1.429 -10.407 186 HA GLU 29 HA GLU 29 4.209 1.968 -7.777 187 HB2 GLU 29 1HB GLU 29 6.780 2.417 -9.303 188 HB3 GLU 29 2HB GLU 29 6.606 3.265 -7.780 189 HG2 GLU 29 1HG GLU 29 6.726 1.399 -6.499 190 HG3 GLU 29 2HG GLU 29 5.854 0.410 -7.643 191 HA PRO 30 HA PRO 30 4.144 6.693 -8.844 192 HB2 PRO 30 1HB PRO 30 3.414 6.446 -11.766 193 HB3 PRO 30 2HB PRO 30 4.257 7.784 -10.921 194 HG2 PRO 30 1HG PRO 30 5.690 6.008 -12.361 195 HG3 PRO 30 2HG PRO 30 6.269 6.478 -10.726 196 HD2 PRO 30 1HD PRO 30 4.699 4.014 -11.527 197 HD3 PRO 30 2HD PRO 30 6.162 4.134 -10.509 198 H LEU 31 H LEU 31 2.018 4.225 -10.373 199 HA LEU 31 HA LEU 31 -0.420 5.780 -10.037 200 HB2 LEU 31 1HB LEU 31 -0.245 3.866 -11.645 201 HB3 LEU 31 2HB LEU 31 -0.026 2.769 -10.285 202 HG LEU 31 HG LEU 31 -2.318 3.525 -9.401 203 HD11 LEU 31 1HD1 LEU 31 -3.838 4.468 -11.102 204 HD12 LEU 31 2HD1 LEU 31 -2.467 4.656 -12.222 205 HD13 LEU 31 3HD1 LEU 31 -2.534 5.599 -10.709 206 HD21 LEU 31 1HD2 LEU 31 -2.058 2.129 -12.083 207 HD22 LEU 31 2HD2 LEU 31 -3.507 2.094 -11.056 208 HD23 LEU 31 3HD2 LEU 31 -2.000 1.386 -10.463 209 H LEU 32 H LEU 32 1.147 3.113 -8.203 210 HA LEU 32 HA LEU 32 -0.714 3.131 -6.037 211 HB2 LEU 32 1HB LEU 32 2.260 2.411 -5.979 212 HB3 LEU 32 2HB LEU 32 1.060 2.010 -4.751 213 HG LEU 32 HG LEU 32 1.286 0.891 -7.538 214 HD11 LEU 32 1HD1 LEU 32 1.472 -1.213 -6.310 215 HD12 LEU 32 2HD1 LEU 32 1.181 -0.374 -4.765 216 HD13 LEU 32 3HD1 LEU 32 2.670 -0.053 -5.690 217 HD21 LEU 32 1HD2 LEU 32 -0.740 -0.499 -6.850 218 HD22 LEU 32 2HD2 LEU 32 -1.076 1.198 -7.239 219 HD23 LEU 32 3HD2 LEU 32 -0.997 0.662 -5.537 220 H TRP 33 H TRP 33 1.946 5.287 -6.686 221 HA TRP 33 HA TRP 33 1.886 6.544 -4.069 222 HB2 TRP 33 1HB TRP 33 3.748 6.571 -5.804 223 HB3 TRP 33 2HB TRP 33 2.835 7.769 -6.686 224 HD1 TRP 33 HD TRP 33 2.019 9.692 -4.237 225 HE1 TRP 33 1HE TRP 33 3.848 11.062 -3.047 226 HE3 TRP 33 3HE TRP 33 6.064 6.927 -5.596 227 HZ2 TRP 33 2HZ TRP 33 6.737 11.017 -2.820 228 HZ3 TRP 33 3HZ TRP 33 8.376 7.621 -4.920 229 HH2 TRP 33 HH TRP 33 8.710 9.663 -3.541 230 H GLU 34 H GLU 34 0.814 7.844 -7.227 231 HA GLU 34 HA GLU 34 -0.602 10.023 -6.073 232 HB2 GLU 34 1HB GLU 34 -0.859 8.751 -8.835 233 HB3 GLU 34 2HB GLU 34 -1.588 10.293 -8.357 234 HG2 GLU 34 1HG GLU 34 0.709 11.087 -7.685 235 HG3 GLU 34 2HG GLU 34 1.389 9.655 -8.447 236 H LEU 35 H LEU 35 -1.833 6.807 -6.850 237 HA LEU 35 HA LEU 35 -4.630 7.457 -6.521 238 HB2 LEU 35 1HB LEU 35 -3.498 5.357 -7.618 239 HB3 LEU 35 2HB LEU 35 -3.369 4.762 -5.961 240 HG LEU 35 HG LEU 35 -5.928 5.184 -5.843 241 HD11 LEU 35 1HD1 LEU 35 -7.112 4.994 -7.984 242 HD12 LEU 35 2HD1 LEU 35 -5.568 5.077 -8.860 243 HD13 LEU 35 3HD1 LEU 35 -6.149 6.479 -7.933 244 HD21 LEU 35 1HD2 LEU 35 -4.788 2.992 -7.609 245 HD22 LEU 35 2HD2 LEU 35 -6.377 2.970 -6.802 246 HD23 LEU 35 3HD2 LEU 35 -4.899 2.969 -5.832 247 H PHE 36 H PHE 36 -2.058 6.652 -4.224 248 HA PHE 36 HA PHE 36 -3.945 6.198 -1.995 249 HB2 PHE 36 1HB PHE 36 -1.010 5.772 -2.462 250 HB3 PHE 36 2HB PHE 36 -1.618 5.806 -0.853 251 HD1 PHE 36 1HD PHE 36 -2.331 4.065 -4.128 252 HD2 PHE 36 2HD PHE 36 -2.344 3.823 0.165 253 HE1 PHE 36 1HE PHE 36 -3.014 1.685 -4.269 254 HE2 PHE 36 2HE PHE 36 -3.059 1.451 0.030 255 HZ PHE 36 HZ PHE 36 -3.423 0.386 -2.188 256 H LEU 37 H LEU 37 -2.187 8.880 -3.262 257 HA LEU 37 HA LEU 37 -1.856 10.507 -0.984 258 HB2 LEU 37 1HB LEU 37 -2.699 11.138 -3.835 259 HB3 LEU 37 2HB LEU 37 -2.379 12.390 -2.645 260 HG LEU 37 HG LEU 37 -0.332 10.383 -3.628 261 HD11 LEU 37 1HD1 LEU 37 -0.988 12.145 -5.271 262 HD12 LEU 37 2HD1 LEU 37 0.690 12.308 -4.718 263 HD13 LEU 37 3HD1 LEU 37 -0.571 13.383 -4.072 264 HD21 LEU 37 1HD2 LEU 37 1.286 11.828 -2.399 265 HD22 LEU 37 2HD2 LEU 37 0.147 11.007 -1.323 266 HD23 LEU 37 3HD2 LEU 37 -0.087 12.725 -1.698 267 H GLN 38 H GLN 38 -4.809 9.367 -2.280 268 HA GLN 38 HA GLN 38 -6.668 11.293 -1.222 269 HB2 GLN 38 1HB GLN 38 -7.074 8.296 -1.638 270 HB3 GLN 38 2HB GLN 38 -8.334 9.532 -1.504 271 HG2 GLN 38 1HG GLN 38 -7.425 10.613 -3.594 272 HG3 GLN 38 2HG GLN 38 -6.264 9.274 -3.699 273 HE21 GLN 38 1HE2 GLN 38 -6.983 7.208 -4.376 274 HE22 GLN 38 2HE2 GLN 38 -8.615 6.962 -5.022 275 H ALA 39 H ALA 39 -4.999 8.521 0.241 276 HA ALA 39 HA ALA 39 -6.592 8.580 2.705 277 HB1 ALA 39 1HB ALA 39 -5.629 6.473 1.855 278 HB2 ALA 39 2HB ALA 39 -3.999 7.151 1.982 279 HB3 ALA 39 3HB ALA 39 -4.951 6.877 3.447 280 H GLY 40 H GLY 40 -3.276 9.545 1.767 281 HA2 GLY 40 1HA GLY 40 -3.157 11.846 3.449 282 HA3 GLY 40 2HA GLY 40 -2.377 10.487 4.265 283 HA PRO 41 HA PRO 41 0.650 12.639 1.386 284 HB2 PRO 41 1HB PRO 41 2.645 13.133 3.210 285 HB3 PRO 41 2HB PRO 41 1.250 14.219 2.934 286 HG2 PRO 41 1HG PRO 41 1.546 12.091 5.075 287 HG3 PRO 41 2HG PRO 41 1.045 13.797 5.283 288 HD2 PRO 41 1HD PRO 41 -0.748 11.762 5.108 289 HD3 PRO 41 2HD PRO 41 -1.105 13.328 4.322 290 H VAL 42 H VAL 42 1.365 11.054 0.149 291 HA VAL 42 HA VAL 42 2.766 8.677 1.197 292 HB VAL 42 HB VAL 42 2.072 9.447 -1.652 293 HG11 VAL 42 1HG1 VAL 42 3.261 6.886 -0.492 294 HG12 VAL 42 2HG1 VAL 42 2.624 7.051 -2.135 295 HG13 VAL 42 3HG1 VAL 42 4.036 7.980 -1.658 296 HG21 VAL 42 1HG2 VAL 42 0.833 7.362 0.189 297 HG22 VAL 42 2HG2 VAL 42 0.065 8.889 -0.298 298 HG23 VAL 42 3HG2 VAL 42 0.404 7.656 -1.511 299 H VAL 43 H VAL 43 4.829 8.377 1.174 300 HA VAL 43 HA VAL 43 6.669 10.612 0.460 301 HB VAL 43 HB VAL 43 7.146 8.287 2.364 302 HG11 VAL 43 1HG1 VAL 43 8.389 11.067 2.194 303 HG12 VAL 43 2HG1 VAL 43 8.733 9.857 3.444 304 HG13 VAL 43 3HG1 VAL 43 9.183 9.529 1.764 305 HG21 VAL 43 1HG2 VAL 43 5.166 9.440 3.185 306 HG22 VAL 43 2HG2 VAL 43 6.548 9.816 4.207 307 HG23 VAL 43 3HG2 VAL 43 5.970 11.019 3.027 308 H ASN 44 H ASN 44 6.149 7.156 -0.024 309 HA ASN 44 HA ASN 44 8.081 6.953 -2.202 310 HB2 ASN 44 1HB ASN 44 9.629 6.836 -0.353 311 HB3 ASN 44 2HB ASN 44 8.591 5.769 0.553 312 HD21 ASN 44 1HD2 ASN 44 9.641 3.878 0.774 313 HD22 ASN 44 2HD2 ASN 44 10.436 3.030 -0.561 314 H THR 45 H THR 45 8.011 4.784 -3.220 315 HA THR 45 HA THR 45 5.878 2.914 -2.378 316 HB THR 45 HB THR 45 5.358 2.562 -4.883 317 HG1 THR 45 1HG THR 45 5.410 4.515 -6.054 318 HG21 THR 45 1HG2 THR 45 3.755 3.453 -3.241 319 HG22 THR 45 2HG2 THR 45 3.539 4.049 -4.881 320 HG23 THR 45 3HG2 THR 45 4.290 5.105 -3.646 321 H HIS 46 H HIS 46 6.136 0.746 -3.176 322 HA HIS 46 HA HIS 46 8.653 0.131 -4.616 323 HB2 HIS 46 1HB HIS 46 8.953 0.031 -2.005 324 HB3 HIS 46 2HB HIS 46 7.936 -1.389 -2.093 325 HD2 HIS 46 2HD HIS 46 11.473 -0.220 -2.825 326 HE1 HIS 46 1HE HIS 46 11.322 -4.280 -4.127 327 HE2 HIS 46 2HE HIS 46 12.857 -2.299 -3.672 328 H MET 47 H MET 47 8.300 -1.425 -6.140 329 HA MET 47 HA MET 47 6.216 -3.514 -5.615 330 HB2 MET 47 1HB MET 47 6.518 -1.919 -8.167 331 HB3 MET 47 2HB MET 47 5.753 -3.508 -8.100 332 HG2 MET 47 1HG MET 47 4.066 -2.758 -6.580 333 HG3 MET 47 2HG MET 47 4.865 -1.206 -6.335 334 HE1 MET 47 1HE MET 47 4.219 -2.997 -9.880 335 HE2 MET 47 2HE MET 47 2.975 -3.514 -8.714 336 HE3 MET 47 3HE MET 47 2.537 -2.478 -10.100 337 HA PRO 48 HA PRO 48 10.117 -5.705 -6.354 338 HB2 PRO 48 1HB PRO 48 8.230 -7.960 -5.634 339 HB3 PRO 48 2HB PRO 48 9.951 -7.740 -5.171 340 HG2 PRO 48 1HG PRO 48 8.037 -7.085 -3.404 341 HG3 PRO 48 2HG PRO 48 9.375 -5.930 -3.681 342 HD2 PRO 48 1HD PRO 48 6.586 -5.895 -4.887 343 HD3 PRO 48 2HD PRO 48 7.492 -4.547 -4.127 344 H LYS 49 H LYS 49 10.929 -6.802 -8.110 345 HA LYS 49 HA LYS 49 9.051 -7.272 -10.388 346 HB2 LYS 49 1HB LYS 49 11.960 -6.423 -10.534 347 HB3 LYS 49 2HB LYS 49 10.836 -6.582 -11.875 348 HG2 LYS 49 1HG LYS 49 10.779 -4.488 -9.676 349 HG3 LYS 49 2HG LYS 49 11.200 -4.261 -11.374 350 HD2 LYS 49 1HD LYS 49 8.816 -4.975 -11.959 351 HD3 LYS 49 2HD LYS 49 8.446 -4.877 -10.234 352 HE2 LYS 49 1HE LYS 49 9.340 -2.616 -12.077 353 HE3 LYS 49 2HE LYS 49 7.757 -2.831 -11.326 354 HZ1 LYS 49 1HZ LYS 49 9.010 -2.659 -9.135 355 HZ2 LYS 49 2HZ LYS 49 8.857 -1.264 -9.967 356 HZ3 LYS 49 3HZ LYS 49 10.282 -2.079 -9.983 357 H ASP 50 H ASP 50 9.309 -8.899 -11.779 358 HA ASP 50 HA ASP 50 10.499 -11.392 -10.959 359 HB2 ASP 50 1HB ASP 50 8.461 -11.256 -12.321 360 HB3 ASP 50 2HB ASP 50 9.335 -10.407 -13.592 361 H ARG 51 H ARG 51 12.311 -12.464 -11.721 362 HA ARG 51 HA ARG 51 14.491 -10.737 -12.631 363 HB2 ARG 51 1HB ARG 51 15.970 -12.428 -11.875 364 HB3 ARG 51 2HB ARG 51 14.724 -12.156 -10.661 365 HG2 ARG 51 1HG ARG 51 13.516 -14.201 -11.462 366 HG3 ARG 51 2HG ARG 51 14.810 -14.489 -12.634 367 HD2 ARG 51 1HD ARG 51 15.177 -14.356 -9.614 368 HD3 ARG 51 2HD ARG 51 14.994 -15.840 -10.537 369 HE ARG 51 HE ARG 51 17.372 -14.136 -10.349 370 HH11 ARG 51 1HH1 ARG 51 15.925 -16.710 -12.244 371 HH12 ARG 51 2HH1 ARG 51 17.456 -17.185 -12.925 372 HH21 ARG 51 1HH2 ARG 51 19.280 -14.795 -11.259 373 HH22 ARG 51 2HH2 ARG 51 19.300 -16.128 -12.376 374 H VAL 52 H VAL 52 12.363 -12.117 -14.586 375 HA VAL 52 HA VAL 52 14.389 -12.878 -16.672 376 HB VAL 52 HB VAL 52 11.735 -14.292 -16.186 377 HG11 VAL 52 1HG1 VAL 52 12.423 -14.359 -18.545 378 HG12 VAL 52 2HG1 VAL 52 14.048 -14.913 -18.075 379 HG13 VAL 52 3HG1 VAL 52 12.626 -15.946 -17.808 380 HG21 VAL 52 1HG2 VAL 52 14.570 -15.206 -15.534 381 HG22 VAL 52 2HG2 VAL 52 13.232 -14.938 -14.386 382 HG23 VAL 52 3HG2 VAL 52 13.137 -16.261 -15.543 383 H THR 53 H THR 53 11.141 -11.638 -15.937 384 HA THR 53 HA THR 53 10.887 -10.554 -18.704 385 HB THR 53 HB THR 53 8.480 -10.544 -18.316 386 HG1 THR 53 1HG THR 53 9.101 -11.794 -15.845 387 HG21 THR 53 1HG2 THR 53 9.483 -12.630 -19.222 388 HG22 THR 53 2HG2 THR 53 8.013 -12.921 -18.274 389 HG23 THR 53 3HG2 THR 53 9.605 -13.278 -17.571 390 H GLY 54 H GLY 54 11.363 -9.647 -15.445 391 HA2 GLY 54 1HA GLY 54 11.691 -7.633 -14.475 392 HA3 GLY 54 2HA GLY 54 11.551 -6.898 -16.074 393 H GLN 55 H GLN 55 8.714 -8.612 -15.398 394 HA GLN 55 HA GLN 55 7.142 -6.179 -14.932 395 HB2 GLN 55 1HB GLN 55 6.209 -9.073 -15.016 396 HB3 GLN 55 2HB GLN 55 5.220 -7.624 -15.184 397 HG2 GLN 55 1HG GLN 55 7.245 -8.731 -17.166 398 HG3 GLN 55 2HG GLN 55 5.507 -8.611 -17.364 399 HE21 GLN 55 1HE2 GLN 55 8.471 -7.073 -18.089 400 HE22 GLN 55 2HE2 GLN 55 7.788 -5.513 -18.548 401 H HIS 56 H HIS 56 5.473 -6.122 -13.115 402 HA HIS 56 HA HIS 56 6.822 -6.650 -10.599 403 HB2 HIS 56 1HB HIS 56 5.048 -5.575 -9.511 404 HB3 HIS 56 2HB HIS 56 5.391 -4.670 -10.978 405 HD2 HIS 56 2HD HIS 56 3.292 -4.078 -12.426 406 HE1 HIS 56 1HE HIS 56 0.482 -6.788 -10.719 407 HE2 HIS 56 2HE HIS 56 0.762 -4.837 -12.306 408 H GLN 57 H GLN 57 6.124 -7.917 -8.848 409 HA GLN 57 HA GLN 57 5.366 -10.592 -9.726 410 HB2 GLN 57 1HB GLN 57 6.374 -9.507 -7.076 411 HB3 GLN 57 2HB GLN 57 6.065 -11.219 -7.402 412 HG2 GLN 57 1HG GLN 57 7.688 -11.179 -9.275 413 HG3 GLN 57 2HG GLN 57 8.049 -9.488 -8.934 414 HE21 GLN 57 1HE2 GLN 57 8.219 -12.802 -7.518 415 HE22 GLN 57 2HE2 GLN 57 9.527 -12.392 -6.418 416 H GLY 58 H GLY 58 3.184 -8.423 -9.417 417 HA2 GLY 58 1HA GLY 58 0.894 -8.699 -9.156 418 HA3 GLY 58 2HA GLY 58 1.145 -10.206 -8.281 419 H TYR 59 H TYR 59 3.101 -7.900 -6.814 420 HA TYR 59 HA TYR 59 1.022 -6.686 -5.128 421 HB2 TYR 59 1HB TYR 59 1.948 -7.447 -3.051 422 HB3 TYR 59 2HB TYR 59 1.501 -8.829 -4.026 423 HD1 TYR 59 1HD TYR 59 4.223 -7.095 -2.318 424 HD2 TYR 59 2HD TYR 59 3.284 -10.213 -5.151 425 HE1 TYR 59 1HE TYR 59 6.468 -8.103 -1.962 426 HE2 TYR 59 2HE TYR 59 5.562 -11.172 -4.849 427 HH TYR 59 HH TYR 59 7.933 -9.768 -2.557 428 H GLY 60 H GLY 60 1.825 -5.061 -3.685 429 HA2 GLY 60 1HA GLY 60 4.444 -3.806 -4.259 430 HA3 GLY 60 2HA GLY 60 2.985 -2.925 -4.714 431 H PHE 61 H PHE 61 4.402 -1.566 -3.128 432 HA PHE 61 HA PHE 61 3.035 -1.580 -0.506 433 HB2 PHE 61 1HB PHE 61 6.021 -1.183 -0.927 434 HB3 PHE 61 2HB PHE 61 5.176 -1.014 0.592 435 HD1 PHE 61 1HD PHE 61 6.483 -3.422 -1.887 436 HD2 PHE 61 2HD PHE 61 4.485 -2.952 1.904 437 HE1 PHE 61 1HE PHE 61 6.978 -5.790 -1.334 438 HE2 PHE 61 2HE PHE 61 4.999 -5.319 2.467 439 HZ PHE 61 HZ PHE 61 6.237 -6.744 0.844 440 H VAL 62 H VAL 62 2.822 0.435 0.470 441 HA VAL 62 HA VAL 62 3.754 2.855 -1.015 442 HB VAL 62 HB VAL 62 0.956 2.671 0.153 443 HG11 VAL 62 1HG1 VAL 62 0.622 4.729 -1.145 444 HG12 VAL 62 2HG1 VAL 62 1.900 4.930 0.047 445 HG13 VAL 62 3HG1 VAL 62 2.311 4.688 -1.670 446 HG21 VAL 62 1HG2 VAL 62 1.828 2.336 -2.725 447 HG22 VAL 62 2HG2 VAL 62 0.942 1.156 -1.735 448 HG23 VAL 62 3HG2 VAL 62 0.159 2.660 -2.212 449 H GLU 63 H GLU 63 4.728 4.297 0.262 450 HA GLU 63 HA GLU 63 4.725 3.820 3.209 451 HB2 GLU 63 1HB GLU 63 6.821 3.593 1.901 452 HB3 GLU 63 2HB GLU 63 6.666 5.297 1.430 453 HG2 GLU 63 1HG GLU 63 6.832 6.004 3.766 454 HG3 GLU 63 2HG GLU 63 6.928 4.324 4.296 455 H PHE 64 H PHE 64 3.596 5.181 4.437 456 HA PHE 64 HA PHE 64 2.933 7.909 3.471 457 HB2 PHE 64 1HB PHE 64 1.809 6.155 5.676 458 HB3 PHE 64 2HB PHE 64 1.400 7.849 5.479 459 HD1 PHE 64 1HD PHE 64 1.015 4.485 3.989 460 HD2 PHE 64 2HD PHE 64 0.162 8.687 3.577 461 HE1 PHE 64 1HE PHE 64 -0.708 3.966 2.269 462 HE2 PHE 64 2HE PHE 64 -1.563 8.162 1.853 463 HZ PHE 64 HZ PHE 64 -2.023 5.826 1.236 464 H LEU 65 H LEU 65 3.065 9.696 4.905 465 HA LEU 65 HA LEU 65 5.558 10.008 6.210 466 HB2 LEU 65 1HB LEU 65 3.940 11.769 5.224 467 HB3 LEU 65 2HB LEU 65 3.046 11.621 6.743 468 HG LEU 65 HG LEU 65 5.246 12.230 7.933 469 HD11 LEU 65 1HD1 LEU 65 5.985 13.081 5.095 470 HD12 LEU 65 2HD1 LEU 65 6.810 11.830 6.053 471 HD13 LEU 65 3HD1 LEU 65 6.873 13.518 6.572 472 HD21 LEU 65 1HD2 LEU 65 3.375 13.817 7.653 473 HD22 LEU 65 2HD2 LEU 65 3.980 14.266 6.043 474 HD23 LEU 65 3HD2 LEU 65 4.932 14.644 7.498 475 H SER 66 H SER 66 2.423 9.025 7.537 476 HA SER 66 HA SER 66 3.705 8.354 10.133 477 HB2 SER 66 1HB SER 66 1.087 9.882 9.976 478 HB3 SER 66 2HB SER 66 1.986 9.416 11.423 479 HG SER 66 HG SER 66 2.302 11.622 10.867 480 H GLU 67 H GLU 67 2.532 6.850 11.414 481 HA GLU 67 HA GLU 67 1.390 4.700 9.941 482 HB2 GLU 67 1HB GLU 67 2.662 4.481 12.015 483 HB3 GLU 67 2HB GLU 67 1.375 5.299 12.919 484 HG2 GLU 67 1HG GLU 67 -0.168 3.448 12.470 485 HG3 GLU 67 2HG GLU 67 0.999 2.697 11.376 486 H GLU 68 H GLU 68 -0.241 7.368 11.655 487 HA GLU 68 HA GLU 68 -2.872 6.189 11.506 488 HB2 GLU 68 1HB GLU 68 -3.697 8.372 12.137 489 HB3 GLU 68 2HB GLU 68 -2.305 7.927 13.123 490 HG2 GLU 68 1HG GLU 68 -0.853 9.389 11.687 491 HG3 GLU 68 2HG GLU 68 -2.281 9.868 10.767 492 H ASP 69 H ASP 69 -0.951 7.856 9.116 493 HA ASP 69 HA ASP 69 -3.213 8.308 7.270 494 HB2 ASP 69 1HB ASP 69 -0.199 8.565 6.974 495 HB3 ASP 69 2HB ASP 69 -1.342 8.915 5.694 496 H ALA 70 H ALA 70 -0.678 5.882 7.858 497 HA ALA 70 HA ALA 70 -1.245 4.272 5.522 498 HB1 ALA 70 1HB ALA 70 0.126 2.588 6.725 499 HB2 ALA 70 2HB ALA 70 0.894 4.182 6.796 500 HB3 ALA 70 3HB ALA 70 0.038 3.537 8.208 501 H ASP 71 H ASP 71 -2.345 4.105 8.951 502 HA ASP 71 HA ASP 71 -4.081 1.891 8.764 503 HB2 ASP 71 1HB ASP 71 -3.375 3.014 10.843 504 HB3 ASP 71 2HB ASP 71 -4.350 4.423 10.422 505 H TYR 72 H TYR 72 -4.698 5.275 7.817 506 HA TYR 72 HA TYR 72 -7.508 4.852 7.234 507 HB2 TYR 72 1HB TYR 72 -6.366 7.057 7.771 508 HB3 TYR 72 2HB TYR 72 -5.713 7.040 6.139 509 HD1 TYR 72 1HD TYR 72 -7.344 7.059 4.164 510 HD2 TYR 72 2HD TYR 72 -8.635 7.666 8.232 511 HE1 TYR 72 1HE TYR 72 -9.443 8.095 3.334 512 HE2 TYR 72 2HE TYR 72 -10.758 8.677 7.399 513 HH TYR 72 HH TYR 72 -11.452 9.053 3.902 514 H ALA 73 H ALA 73 -4.503 4.631 5.248 515 HA ALA 73 HA ALA 73 -5.895 4.281 2.735 516 HB1 ALA 73 1HB ALA 73 -3.716 3.552 1.932 517 HB2 ALA 73 2HB ALA 73 -3.527 4.991 2.955 518 HB3 ALA 73 3HB ALA 73 -3.106 3.389 3.593 519 H ILE 74 H ILE 74 -4.773 2.000 5.244 520 HA ILE 74 HA ILE 74 -5.597 -0.415 3.912 521 HB ILE 74 HB ILE 74 -5.384 0.207 6.886 522 HG12 ILE 74 1HG1 ILE 74 -3.324 -1.223 5.152 523 HG13 ILE 74 2HG1 ILE 74 -3.282 0.515 5.387 524 HG21 ILE 74 1HG2 ILE 74 -5.472 -2.457 5.397 525 HG22 ILE 74 2HG2 ILE 74 -5.086 -2.298 7.116 526 HG23 ILE 74 3HG2 ILE 74 -6.686 -1.853 6.541 527 HD11 ILE 74 1HD1 ILE 74 -3.062 0.250 7.800 528 HD12 ILE 74 2HD1 ILE 74 -3.089 -1.519 7.627 529 HD13 ILE 74 3HD1 ILE 74 -1.769 -0.574 6.923 530 H LYS 75 H LYS 75 -7.401 1.956 5.866 531 HA LYS 75 HA LYS 75 -9.851 0.440 6.000 532 HB2 LYS 75 1HB LYS 75 -9.305 2.247 7.559 533 HB3 LYS 75 2HB LYS 75 -9.375 3.439 6.258 534 HG2 LYS 75 1HG LYS 75 -11.747 3.015 5.902 535 HG3 LYS 75 2HG LYS 75 -11.716 1.705 7.100 536 HD2 LYS 75 1HD LYS 75 -11.105 3.349 8.866 537 HD3 LYS 75 2HD LYS 75 -11.118 4.652 7.656 538 HE2 LYS 75 1HE LYS 75 -13.515 4.189 7.188 539 HE3 LYS 75 2HE LYS 75 -13.502 2.886 8.384 540 HZ1 LYS 75 1HZ LYS 75 -14.375 4.945 9.329 541 HZ2 LYS 75 2HZ LYS 75 -13.002 5.755 8.987 542 HZ3 LYS 75 3HZ LYS 75 -12.989 4.550 10.093 543 H ILE 76 H ILE 76 -8.764 2.952 3.625 544 HA ILE 76 HA ILE 76 -11.296 2.598 2.187 545 HB ILE 76 HB ILE 76 -10.520 4.374 0.724 546 HG12 ILE 76 1HG1 ILE 76 -8.173 4.883 2.568 547 HG13 ILE 76 2HG1 ILE 76 -7.986 3.912 1.126 548 HG21 ILE 76 1HG2 ILE 76 -10.816 6.146 2.378 549 HG22 ILE 76 2HG2 ILE 76 -11.821 4.768 2.835 550 HG23 ILE 76 3HG2 ILE 76 -10.289 5.072 3.688 551 HD11 ILE 76 1HD1 ILE 76 -8.941 5.843 -0.204 552 HD12 ILE 76 2HD1 ILE 76 -8.859 6.808 1.295 553 HD13 ILE 76 3HD1 ILE 76 -7.381 6.148 0.566 554 H MET 77 H MET 77 -7.933 1.568 1.533 555 HA MET 77 HA MET 77 -8.690 0.898 -1.239 556 HB2 MET 77 1HB MET 77 -6.047 0.975 0.154 557 HB3 MET 77 2HB MET 77 -6.232 0.443 -1.509 558 HG2 MET 77 1HG MET 77 -7.235 3.150 -0.615 559 HG3 MET 77 2HG MET 77 -5.571 2.901 -1.069 560 HE1 MET 77 1HE MET 77 -5.421 4.480 -3.341 561 HE2 MET 77 2HE MET 77 -7.008 4.901 -4.019 562 HE3 MET 77 3HE MET 77 -6.737 5.055 -2.279 563 H ASP 78 H ASP 78 -9.062 -0.774 1.472 564 HA ASP 78 HA ASP 78 -8.208 -3.403 0.422 565 HB2 ASP 78 1HB ASP 78 -7.938 -2.868 2.844 566 HB3 ASP 78 2HB ASP 78 -9.700 -2.795 2.992 567 H MET 79 H MET 79 -9.656 -5.067 -0.137 568 HA MET 79 HA MET 79 -11.334 -5.934 -1.343 569 HB2 MET 79 1HB MET 79 -13.240 -4.161 0.210 570 HB3 MET 79 2HB MET 79 -13.637 -5.630 -0.661 571 HG2 MET 79 1HG MET 79 -11.875 -5.430 1.804 572 HG3 MET 79 2HG MET 79 -13.533 -5.998 1.756 573 HE1 MET 79 1HE MET 79 -14.347 -8.268 0.829 574 HE2 MET 79 2HE MET 79 -13.667 -7.961 -0.788 575 HE3 MET 79 3HE MET 79 -13.310 -9.483 0.052 576 H ILE 80 H ILE 80 -10.321 -2.985 -2.053 577 HA ILE 80 HA ILE 80 -12.242 -2.148 -4.075 578 HB ILE 80 HB ILE 80 -9.609 -1.255 -3.007 579 HG12 ILE 80 1HG1 ILE 80 -12.272 0.019 -3.689 580 HG13 ILE 80 2HG1 ILE 80 -11.553 -0.268 -2.105 581 HG21 ILE 80 1HG2 ILE 80 -9.021 0.258 -4.707 582 HG22 ILE 80 2HG2 ILE 80 -9.006 -1.353 -5.371 583 HG23 ILE 80 3HG2 ILE 80 -10.375 -0.266 -5.753 584 HD11 ILE 80 1HD1 ILE 80 -10.791 1.835 -4.168 585 HD12 ILE 80 2HD1 ILE 80 -11.405 2.078 -2.527 586 HD13 ILE 80 3HD1 ILE 80 -9.759 1.465 -2.780 587 H LYS 81 H LYS 81 -11.845 -2.107 -6.349 588 HA LYS 81 HA LYS 81 -10.278 -4.428 -7.395 589 HB2 LYS 81 1HB LYS 81 -12.955 -3.294 -8.272 590 HB3 LYS 81 2HB LYS 81 -12.045 -4.544 -9.132 591 HG2 LYS 81 1HG LYS 81 -12.163 -5.978 -7.049 592 HG3 LYS 81 2HG LYS 81 -13.205 -4.753 -6.320 593 HD2 LYS 81 1HD LYS 81 -14.651 -6.442 -7.146 594 HD3 LYS 81 2HD LYS 81 -14.795 -5.082 -8.270 595 HE2 LYS 81 1HE LYS 81 -13.136 -6.230 -9.780 596 HE3 LYS 81 2HE LYS 81 -13.135 -7.608 -8.671 597 HZ1 LYS 81 1HZ LYS 81 -15.526 -6.607 -10.131 598 HZ2 LYS 81 2HZ LYS 81 -15.519 -7.879 -9.105 599 HZ3 LYS 81 3HZ LYS 81 -14.690 -7.956 -10.508 600 H LEU 82 H LEU 82 -8.510 -2.821 -7.474 601 HA LEU 82 HA LEU 82 -8.478 -0.610 -9.276 602 HB2 LEU 82 1HB LEU 82 -6.817 -1.058 -7.482 603 HB3 LEU 82 2HB LEU 82 -6.217 -2.452 -8.375 604 HG LEU 82 HG LEU 82 -5.360 -1.009 -10.154 605 HD11 LEU 82 1HD1 LEU 82 -6.970 0.816 -10.226 606 HD12 LEU 82 2HD1 LEU 82 -5.394 1.496 -9.838 607 HD13 LEU 82 3HD1 LEU 82 -6.594 1.271 -8.549 608 HD21 LEU 82 1HD2 LEU 82 -4.643 0.059 -7.385 609 HD22 LEU 82 2HD2 LEU 82 -3.645 0.189 -8.846 610 HD23 LEU 82 3HD2 LEU 82 -3.968 -1.403 -8.136 611 H TYR 83 H TYR 83 -8.287 -0.481 -11.532 612 HA TYR 83 HA TYR 83 -8.923 -1.264 -13.570 613 HB2 TYR 83 1HB TYR 83 -6.477 -2.995 -13.132 614 HB3 TYR 83 2HB TYR 83 -7.199 -2.629 -14.688 615 HD1 TYR 83 1HD TYR 83 -4.590 -1.722 -12.585 616 HD2 TYR 83 2HD TYR 83 -7.591 0.000 -15.162 617 HE1 TYR 83 1HE TYR 83 -3.144 0.270 -12.950 618 HE2 TYR 83 2HE TYR 83 -6.155 2.001 -15.499 619 HH TYR 83 HH TYR 83 -4.160 3.015 -15.020 620 H GLY 84 H GLY 84 -10.426 -2.829 -11.491 621 HA2 GLY 84 1HA GLY 84 -12.117 -4.378 -11.703 622 HA3 GLY 84 2HA GLY 84 -11.586 -4.752 -13.339 623 H LYS 85 H LYS 85 -9.465 -5.085 -10.524 624 HA LYS 85 HA LYS 85 -9.675 -8.014 -10.425 625 HB2 LYS 85 1HB LYS 85 -7.811 -7.449 -11.958 626 HB3 LYS 85 2HB LYS 85 -7.084 -6.433 -10.705 627 HG2 LYS 85 1HG LYS 85 -6.878 -8.453 -9.229 628 HG3 LYS 85 2HG LYS 85 -7.563 -9.446 -10.529 629 HD2 LYS 85 1HD LYS 85 -5.662 -8.840 -12.000 630 HD3 LYS 85 2HD LYS 85 -5.003 -7.798 -10.719 631 HE2 LYS 85 1HE LYS 85 -4.812 -9.762 -9.215 632 HE3 LYS 85 2HE LYS 85 -5.453 -10.808 -10.490 633 HZ1 LYS 85 1HZ LYS 85 -2.919 -9.252 -10.667 634 HZ2 LYS 85 2HZ LYS 85 -3.508 -10.232 -11.846 635 HZ3 LYS 85 3HZ LYS 85 -3.022 -10.869 -10.425 636 HA PRO 86 HA PRO 86 -10.096 -6.342 -6.306 637 HB2 PRO 86 1HB PRO 86 -10.380 -8.682 -4.855 638 HB3 PRO 86 2HB PRO 86 -11.662 -7.909 -5.836 639 HG2 PRO 86 1HG PRO 86 -9.822 -10.182 -6.603 640 HG3 PRO 86 2HG PRO 86 -11.590 -10.042 -6.870 641 HD2 PRO 86 1HD PRO 86 -9.803 -9.496 -8.830 642 HD3 PRO 86 2HD PRO 86 -11.271 -8.474 -8.656 643 H ILE 87 H ILE 87 -8.692 -5.510 -4.976 644 HA ILE 87 HA ILE 87 -6.098 -6.864 -4.457 645 HB ILE 87 HB ILE 87 -5.245 -4.668 -3.745 646 HG12 ILE 87 1HG1 ILE 87 -7.677 -3.398 -5.041 647 HG13 ILE 87 2HG1 ILE 87 -7.570 -3.643 -3.292 648 HG21 ILE 87 1HG2 ILE 87 -4.819 -5.555 -5.974 649 HG22 ILE 87 2HG2 ILE 87 -6.305 -4.813 -6.602 650 HG23 ILE 87 3HG2 ILE 87 -4.960 -3.800 -6.044 651 HD11 ILE 87 1HD1 ILE 87 -5.658 -1.965 -4.976 652 HD12 ILE 87 2HD1 ILE 87 -6.900 -1.374 -3.866 653 HD13 ILE 87 3HD1 ILE 87 -5.508 -2.264 -3.227 654 H ARG 88 H ARG 88 -5.145 -6.696 -2.383 655 HA ARG 88 HA ARG 88 -7.007 -6.348 -0.065 656 HB2 ARG 88 1HB ARG 88 -4.926 -8.549 -0.408 657 HB3 ARG 88 2HB ARG 88 -5.844 -8.238 1.064 658 HG2 ARG 88 1HG ARG 88 -7.049 -9.078 -1.613 659 HG3 ARG 88 2HG ARG 88 -6.732 -10.144 -0.246 660 HD2 ARG 88 1HD ARG 88 -8.319 -8.923 1.156 661 HD3 ARG 88 2HD ARG 88 -8.623 -7.750 -0.118 662 HE ARG 88 HE ARG 88 -9.533 -10.567 -0.018 663 HH11 ARG 88 1HH1 ARG 88 -9.466 -7.621 -1.954 664 HH12 ARG 88 2HH1 ARG 88 -10.863 -8.122 -2.873 665 HH21 ARG 88 1HH2 ARG 88 -11.201 -11.168 -1.330 666 HH22 ARG 88 2HH2 ARG 88 -11.760 -10.109 -2.587 667 H VAL 89 H VAL 89 -6.254 -5.188 1.586 668 HA VAL 89 HA VAL 89 -3.437 -4.204 1.431 669 HB VAL 89 HB VAL 89 -5.871 -2.456 1.902 670 HG11 VAL 89 1HG1 VAL 89 -4.305 -0.579 1.699 671 HG12 VAL 89 2HG1 VAL 89 -3.831 -1.615 3.041 672 HG13 VAL 89 3HG1 VAL 89 -2.941 -1.702 1.510 673 HG21 VAL 89 1HG2 VAL 89 -5.771 -3.097 -0.463 674 HG22 VAL 89 2HG2 VAL 89 -5.201 -1.436 -0.298 675 HG23 VAL 89 3HG2 VAL 89 -4.031 -2.752 -0.505 676 H ASN 90 H ASN 90 -2.360 -3.855 3.278 677 HA ASN 90 HA ASN 90 -3.583 -3.725 5.918 678 HB2 ASN 90 1HB ASN 90 -3.570 -6.233 5.261 679 HB3 ASN 90 2HB ASN 90 -1.819 -6.115 5.274 680 HD21 ASN 90 1HD2 ASN 90 -2.586 -7.455 8.555 681 HD22 ASN 90 2HD2 ASN 90 -2.389 -7.968 6.886 682 H LYS 91 H LYS 91 -1.647 -3.828 7.602 683 HA LYS 91 HA LYS 91 0.406 -1.884 7.020 684 HB2 LYS 91 1HB LYS 91 0.438 -4.119 9.078 685 HB3 LYS 91 2HB LYS 91 1.379 -2.634 9.154 686 HG2 LYS 91 1HG LYS 91 -1.656 -2.808 9.370 687 HG3 LYS 91 2HG LYS 91 -0.570 -2.838 10.734 688 HD2 LYS 91 1HD LYS 91 -0.225 -0.491 8.885 689 HD3 LYS 91 2HD LYS 91 -1.770 -0.609 9.713 690 HE2 LYS 91 1HE LYS 91 -0.448 0.757 11.077 691 HE3 LYS 91 2HE LYS 91 -0.649 -0.785 11.909 692 HZ1 LYS 91 1HZ LYS 91 1.637 -1.358 11.202 693 HZ2 LYS 91 2HZ LYS 91 1.595 0.049 12.055 694 HZ3 LYS 91 3HZ LYS 91 1.769 0.106 10.432 695 H ALA 92 H ALA 92 2.596 -2.144 6.452 696 HA ALA 92 HA ALA 92 3.445 -4.705 5.283 697 HB1 ALA 92 1HB ALA 92 5.433 -3.487 4.649 698 HB2 ALA 92 2HB ALA 92 4.016 -2.482 4.302 699 HB3 ALA 92 3HB ALA 92 5.017 -2.149 5.738 700 H SER 93 H SER 93 3.620 -3.236 8.444 701 HA SER 93 HA SER 93 5.700 -5.080 9.446 702 HB2 SER 93 1HB SER 93 5.219 -3.970 11.608 703 HB3 SER 93 2HB SER 93 5.687 -2.838 10.329 704 HG SER 93 HG SER 93 3.891 -2.189 11.623 705 H ALA 94 H ALA 94 2.305 -4.402 10.222 706 HA ALA 94 HA ALA 94 0.562 -5.593 10.956 707 HB1 ALA 94 1HB ALA 94 1.759 -7.845 9.329 708 HB2 ALA 94 2HB ALA 94 0.065 -7.694 9.855 709 HB3 ALA 94 3HB ALA 94 0.738 -6.516 8.720 710 H HIS 95 H HIS 95 2.467 -5.336 12.881 711 HA HIS 95 HA HIS 95 1.850 -7.707 14.610 712 HB2 HIS 95 1HB HIS 95 4.268 -5.875 14.663 713 HB3 HIS 95 2HB HIS 95 3.775 -6.859 16.039 714 HD2 HIS 95 2HD HIS 95 5.389 -7.177 12.584 715 HE1 HIS 95 1HE HIS 95 5.430 -11.084 14.295 716 HE2 HIS 95 2HE HIS 95 6.261 -9.654 12.357 717 H ASN 96 H ASN 96 1.006 -7.319 16.635 718 HA ASN 96 HA ASN 96 -0.566 -4.856 16.843 719 HB2 ASN 96 1HB ASN 96 -0.471 -7.370 18.570 720 HB3 ASN 96 2HB ASN 96 -1.631 -6.057 18.760 721 HD21 ASN 96 1HD2 ASN 96 -3.176 -5.648 16.955 722 HD22 ASN 96 2HD2 ASN 96 -3.572 -6.996 15.903 723 H LYS 97 H LYS 97 -0.663 -3.479 18.646 724 HA LYS 97 HA LYS 97 1.901 -2.910 19.974 725 HB2 LYS 97 1HB LYS 97 -0.753 -1.426 20.083 726 HB3 LYS 97 2HB LYS 97 0.793 -0.857 20.726 727 HG2 LYS 97 1HG LYS 97 1.755 -0.904 18.421 728 HG3 LYS 97 2HG LYS 97 0.162 -1.369 17.787 729 HD2 LYS 97 1HD LYS 97 -0.802 0.710 18.825 730 HD3 LYS 97 2HD LYS 97 0.829 1.214 19.274 731 HE2 LYS 97 1HE LYS 97 -0.164 0.696 16.428 732 HE3 LYS 97 2HE LYS 97 -0.037 2.282 17.189 733 HZ1 LYS 97 1HZ LYS 97 2.231 0.485 16.546 734 HZ2 LYS 97 2HZ LYS 97 2.381 1.880 17.404 735 HZ3 LYS 97 3HZ LYS 97 1.876 1.924 15.852 736 H ASN 98 H ASN 98 1.170 -5.302 20.851 737 HA ASN 98 HA ASN 98 -0.567 -5.267 23.177 738 HB2 ASN 98 1HB ASN 98 -0.296 -7.142 21.475 739 HB3 ASN 98 2HB ASN 98 1.279 -7.480 22.195 740 HD21 ASN 98 1HD2 ASN 98 0.281 -9.658 22.541 741 HD22 ASN 98 2HD2 ASN 98 -0.737 -9.870 23.959 742 H LEU 99 H LEU 99 0.042 -6.064 25.301 743 HA LEU 99 HA LEU 99 2.831 -5.692 26.201 744 HB2 LEU 99 1HB LEU 99 1.785 -3.463 26.418 745 HB3 LEU 99 2HB LEU 99 0.440 -4.165 27.314 746 HG LEU 99 HG LEU 99 1.991 -4.786 29.160 747 HD11 LEU 99 1HD1 LEU 99 4.130 -4.972 27.931 748 HD12 LEU 99 2HD1 LEU 99 4.255 -3.782 29.229 749 HD13 LEU 99 3HD1 LEU 99 4.067 -3.239 27.547 750 HD21 LEU 99 1HD2 LEU 99 2.109 -1.852 28.358 751 HD22 LEU 99 2HD2 LEU 99 2.340 -2.511 29.996 752 HD23 LEU 99 3HD2 LEU 99 0.764 -2.651 29.204 753 H SER 100 H SER 100 3.379 -7.175 27.728 754 HA SER 100 HA SER 100 1.672 -9.376 28.241 755 HB2 SER 100 1HB SER 100 4.241 -8.625 29.685 756 HB3 SER 100 2HB SER 100 3.526 -10.242 29.569 757 HG SER 100 HG SER 100 3.906 -10.213 27.334 758 H GLY 101 H GLY 101 2.249 -6.515 30.219 759 HA2 GLY 101 1HA GLY 101 0.009 -6.570 31.774 760 HA3 GLY 101 2HA GLY 101 1.112 -7.611 32.680 761 HA PRO 102 HA PRO 102 1.808 -3.144 33.907 762 HB2 PRO 102 1HB PRO 102 1.406 -4.347 36.637 763 HB3 PRO 102 2HB PRO 102 0.840 -2.772 36.003 764 HG2 PRO 102 1HG PRO 102 -0.890 -4.836 36.258 765 HG3 PRO 102 2HG PRO 102 -0.925 -3.826 34.773 766 HD2 PRO 102 1HD PRO 102 0.444 -6.508 35.183 767 HD3 PRO 102 2HD PRO 102 -0.644 -5.988 33.860 768 H SER 103 H SER 103 3.195 -6.201 34.891 769 HA SER 103 HA SER 103 5.169 -6.895 35.730 770 HB2 SER 103 1HB SER 103 6.253 -4.540 34.164 771 HB3 SER 103 2HB SER 103 7.190 -5.934 34.734 772 HG SER 103 HG SER 103 6.489 -6.183 32.558 773 H SER 104 H SER 104 3.736 -5.092 37.531 774 HA SER 104 HA SER 104 5.788 -3.611 39.015 775 HB2 SER 104 1HB SER 104 3.848 -2.950 40.421 776 HB3 SER 104 2HB SER 104 3.643 -2.585 38.699 777 HG SER 104 HG SER 104 1.773 -3.574 39.669 778 H GLY 105 H GLY 105 4.607 -6.813 39.132 779 HA2 GLY 105 1HA GLY 105 4.797 -7.372 41.972 780 HA3 GLY 105 2HA GLY 105 4.732 -8.553 40.666 Start of MODEL 5 1 H1 GLY 1 1H GLY 1 -5.277 -19.037 9.864 2 H2 GLY 1 2H GLY 1 -3.642 -18.963 9.964 3 H3 GLY 1 3H GLY 1 -4.383 -18.781 8.515 4 HA2 GLY 1 1HA GLY 1 -5.404 -16.721 9.213 5 HA3 GLY 1 2HA GLY 1 -4.628 -16.922 10.795 6 H SER 2 H SER 2 -4.364 -14.756 8.769 7 HA SER 2 HA SER 2 -1.440 -14.537 8.823 8 HB2 SER 2 1HB SER 2 -1.267 -13.973 6.419 9 HB3 SER 2 2HB SER 2 -1.723 -15.658 6.695 10 HG SER 2 HG SER 2 -2.993 -14.674 5.053 11 H SER 3 H SER 3 -0.671 -12.425 8.279 12 HA SER 3 HA SER 3 -0.608 -10.184 8.572 13 HB2 SER 3 1HB SER 3 -2.884 -10.373 6.588 14 HB3 SER 3 2HB SER 3 -1.793 -8.988 6.827 15 HG SER 3 HG SER 3 -1.127 -10.362 5.094 16 H GLY 4 H GLY 4 -1.740 -10.881 10.877 17 HA2 GLY 4 1HA GLY 4 -4.093 -9.238 11.496 18 HA3 GLY 4 2HA GLY 4 -3.000 -10.025 12.641 19 H SER 5 H SER 5 -4.060 -7.087 11.936 20 HA SER 5 HA SER 5 -1.543 -5.579 11.819 21 HB2 SER 5 1HB SER 5 -3.059 -3.623 11.710 22 HB3 SER 5 2HB SER 5 -3.393 -4.841 10.468 23 HG SER 5 HG SER 5 -5.315 -4.092 11.508 24 H SER 6 H SER 6 -3.297 -6.935 14.359 25 HA SER 6 HA SER 6 -3.332 -4.974 16.361 26 HB2 SER 6 1HB SER 6 -2.878 -7.962 16.703 27 HB3 SER 6 2HB SER 6 -3.464 -6.835 17.942 28 HG SER 6 HG SER 6 -5.188 -7.956 16.917 29 H GLY 7 H GLY 7 -1.947 -4.270 17.933 30 HA2 GLY 7 1HA GLY 7 0.044 -3.769 18.993 31 HA3 GLY 7 2HA GLY 7 0.695 -5.318 18.462 32 HA PRO 8 HA PRO 8 1.651 -2.356 14.733 33 HB2 PRO 8 1HB PRO 8 1.045 0.310 14.915 34 HB3 PRO 8 2HB PRO 8 -0.103 -0.922 14.305 35 HG2 PRO 8 1HG PRO 8 0.095 0.212 17.118 36 HG3 PRO 8 2HG PRO 8 -1.368 0.059 16.091 37 HD2 PRO 8 1HD PRO 8 -0.774 -1.798 17.971 38 HD3 PRO 8 2HD PRO 8 -1.436 -2.290 16.382 39 H ILE 9 H ILE 9 3.480 -1.026 14.341 40 HA ILE 9 HA ILE 9 5.276 -0.836 16.716 41 HB ILE 9 HB ILE 9 5.751 -1.225 13.757 42 HG12 ILE 9 1HG1 ILE 9 6.610 -2.827 16.202 43 HG13 ILE 9 2HG1 ILE 9 5.150 -3.161 15.267 44 HG21 ILE 9 1HG2 ILE 9 8.190 -1.194 14.199 45 HG22 ILE 9 2HG2 ILE 9 7.466 0.375 14.463 46 HG23 ILE 9 3HG2 ILE 9 7.886 -0.659 15.863 47 HD11 ILE 9 1HD1 ILE 9 8.010 -3.418 14.281 48 HD12 ILE 9 2HD1 ILE 9 6.821 -4.699 14.540 49 HD13 ILE 9 3HD1 ILE 9 6.578 -3.530 13.226 50 H SER 10 H SER 10 5.976 1.029 17.512 51 HA SER 10 HA SER 10 5.461 3.578 16.080 52 HB2 SER 10 1HB SER 10 5.961 4.589 18.281 53 HB3 SER 10 2HB SER 10 4.635 3.415 18.339 54 HG SER 10 HG SER 10 6.140 3.130 20.065 55 H GLU 11 H GLU 11 8.066 1.433 16.496 56 HA GLU 11 HA GLU 11 10.151 3.485 16.730 57 HB2 GLU 11 1HB GLU 11 10.028 1.367 18.054 58 HB3 GLU 11 2HB GLU 11 10.365 0.457 16.579 59 HG2 GLU 11 1HG GLU 11 12.574 1.507 16.399 60 HG3 GLU 11 2HG GLU 11 12.199 2.602 17.735 61 H ARG 12 H ARG 12 8.752 1.759 14.064 62 HA ARG 12 HA ARG 12 11.008 2.506 12.259 63 HB2 ARG 12 1HB ARG 12 11.320 0.202 13.146 64 HB3 ARG 12 2HB ARG 12 9.767 -0.272 12.450 65 HG2 ARG 12 1HG ARG 12 10.620 0.071 10.187 66 HG3 ARG 12 2HG ARG 12 12.091 0.827 10.811 67 HD2 ARG 12 1HD ARG 12 12.557 -1.436 10.080 68 HD3 ARG 12 2HD ARG 12 12.808 -1.294 11.811 69 HE ARG 12 HE ARG 12 10.617 -2.773 10.407 70 HH11 ARG 12 1HH1 ARG 12 12.124 -2.102 13.518 71 HH12 ARG 12 2HH1 ARG 12 11.303 -3.439 14.271 72 HH21 ARG 12 1HH2 ARG 12 9.665 -4.387 11.390 73 HH22 ARG 12 2HH2 ARG 12 9.943 -4.733 13.088 74 H ASN 13 H ASN 13 10.530 2.948 10.191 75 HA ASN 13 HA ASN 13 7.922 3.866 9.531 76 HB2 ASN 13 1HB ASN 13 8.879 4.555 7.468 77 HB3 ASN 13 2HB ASN 13 10.100 4.818 8.703 78 HD21 ASN 13 1HD2 ASN 13 10.128 4.248 5.655 79 HD22 ASN 13 2HD2 ASN 13 11.331 2.959 5.531 80 H GLN 14 H GLN 14 9.035 0.651 9.334 81 HA GLN 14 HA GLN 14 7.551 -0.404 7.155 82 HB2 GLN 14 1HB GLN 14 9.233 -1.603 8.538 83 HB3 GLN 14 2HB GLN 14 8.113 -1.589 9.911 84 HG2 GLN 14 1HG GLN 14 6.511 -2.966 8.607 85 HG3 GLN 14 2HG GLN 14 7.608 -2.954 7.225 86 HE21 GLN 14 1HE2 GLN 14 6.910 -5.411 7.970 87 HE22 GLN 14 2HE2 GLN 14 8.199 -6.178 8.900 88 H ASP 15 H ASP 15 6.448 0.746 10.354 89 HA ASP 15 HA ASP 15 3.723 -0.263 9.991 90 HB2 ASP 15 1HB ASP 15 5.077 0.203 12.165 91 HB3 ASP 15 2HB ASP 15 4.590 1.880 11.938 92 H ALA 16 H ALA 16 5.447 2.689 9.186 93 HA ALA 16 HA ALA 16 3.050 4.200 8.419 94 HB1 ALA 16 1HB ALA 16 5.994 4.749 7.832 95 HB2 ALA 16 2HB ALA 16 4.633 5.882 7.720 96 HB3 ALA 16 3HB ALA 16 5.138 5.280 9.304 97 H THR 17 H THR 17 4.645 1.567 7.088 98 HA THR 17 HA THR 17 3.980 2.297 4.281 99 HB THR 17 HB THR 17 5.665 -0.026 5.249 100 HG1 THR 17 1HG THR 17 6.649 1.963 5.688 101 HG21 THR 17 1HG2 THR 17 4.746 -0.372 2.971 102 HG22 THR 17 2HG2 THR 17 6.485 -0.050 2.899 103 HG23 THR 17 3HG2 THR 17 5.341 1.231 2.479 104 H VAL 18 H VAL 18 2.373 1.319 3.217 105 HA VAL 18 HA VAL 18 0.911 -0.929 4.542 106 HB VAL 18 HB VAL 18 -0.990 -0.474 3.169 107 HG11 VAL 18 1HG1 VAL 18 0.001 2.128 4.399 108 HG12 VAL 18 2HG1 VAL 18 -1.682 1.651 4.119 109 HG13 VAL 18 3HG1 VAL 18 -0.704 0.773 5.308 110 HG21 VAL 18 1HG2 VAL 18 0.074 0.430 1.116 111 HG22 VAL 18 2HG2 VAL 18 -1.194 1.492 1.736 112 HG23 VAL 18 3HG2 VAL 18 0.504 1.900 2.025 113 H TYR 19 H TYR 19 0.414 -2.742 3.422 114 HA TYR 19 HA TYR 19 2.062 -3.465 1.040 115 HB2 TYR 19 1HB TYR 19 2.361 -4.989 2.870 116 HB3 TYR 19 2HB TYR 19 0.640 -5.022 3.223 117 HD1 TYR 19 1HD TYR 19 3.218 -6.148 0.772 118 HD2 TYR 19 2HD TYR 19 -0.864 -6.511 2.113 119 HE1 TYR 19 1HE TYR 19 2.925 -8.181 -0.648 120 HE2 TYR 19 2HE TYR 19 -1.158 -8.527 0.684 121 HH TYR 19 HH TYR 19 -0.150 -10.008 -0.754 122 H VAL 20 H VAL 20 1.069 -4.000 -0.840 123 HA VAL 20 HA VAL 20 -1.909 -4.150 -0.993 124 HB VAL 20 HB VAL 20 -0.168 -2.737 -3.052 125 HG11 VAL 20 1HG1 VAL 20 -3.194 -2.960 -2.708 126 HG12 VAL 20 2HG1 VAL 20 -2.355 -2.053 -3.979 127 HG13 VAL 20 3HG1 VAL 20 -2.239 -3.822 -3.916 128 HG21 VAL 20 1HG2 VAL 20 -1.252 -0.648 -2.336 129 HG22 VAL 20 2HG2 VAL 20 -2.011 -1.499 -0.970 130 HG23 VAL 20 3HG2 VAL 20 -0.246 -1.317 -1.053 131 H GLY 21 H GLY 21 -2.229 -6.258 -1.455 132 HA2 GLY 21 1HA GLY 21 -0.445 -7.681 -3.396 133 HA3 GLY 21 2HA GLY 21 -1.485 -8.442 -2.202 134 H GLY 22 H GLY 22 -1.264 -8.614 -5.229 135 HA2 GLY 22 1HA GLY 22 -2.938 -9.675 -6.545 136 HA3 GLY 22 2HA GLY 22 -4.211 -8.861 -5.635 137 H LEU 23 H LEU 23 -1.333 -7.478 -7.249 138 HA LEU 23 HA LEU 23 -2.894 -5.270 -8.343 139 HB2 LEU 23 1HB LEU 23 0.043 -6.046 -8.593 140 HB3 LEU 23 2HB LEU 23 -0.654 -4.535 -9.168 141 HG LEU 23 HG LEU 23 -0.437 -5.436 -6.263 142 HD11 LEU 23 1HD1 LEU 23 0.932 -3.207 -7.814 143 HD12 LEU 23 2HD1 LEU 23 1.673 -4.743 -7.317 144 HD13 LEU 23 3HD1 LEU 23 1.140 -3.575 -6.091 145 HD21 LEU 23 1HD2 LEU 23 -1.123 -2.985 -5.861 146 HD22 LEU 23 2HD2 LEU 23 -2.395 -4.134 -6.304 147 HD23 LEU 23 3HD2 LEU 23 -1.764 -3.009 -7.514 148 H ASP 24 H ASP 24 -3.075 -4.714 -10.504 149 HA ASP 24 HA ASP 24 -3.086 -6.972 -12.392 150 HB2 ASP 24 1HB ASP 24 -5.100 -5.578 -12.197 151 HB3 ASP 24 2HB ASP 24 -4.166 -4.130 -12.568 152 H GLU 25 H GLU 25 -2.127 -6.729 -14.578 153 HA GLU 25 HA GLU 25 0.585 -5.927 -14.515 154 HB2 GLU 25 1HB GLU 25 0.626 -6.475 -16.867 155 HB3 GLU 25 2HB GLU 25 -0.295 -7.677 -15.966 156 HG2 GLU 25 1HG GLU 25 -2.420 -6.619 -16.734 157 HG3 GLU 25 2HG GLU 25 -1.492 -5.419 -17.637 158 H LYS 26 H LYS 26 -2.201 -3.925 -15.232 159 HA LYS 26 HA LYS 26 -0.633 -1.792 -16.519 160 HB2 LYS 26 1HB LYS 26 -3.499 -1.925 -15.517 161 HB3 LYS 26 2HB LYS 26 -2.799 -0.545 -16.371 162 HG2 LYS 26 1HG LYS 26 -2.277 -1.974 -18.319 163 HG3 LYS 26 2HG LYS 26 -2.993 -3.370 -17.520 164 HD2 LYS 26 1HD LYS 26 -4.448 -0.814 -18.303 165 HD3 LYS 26 2HD LYS 26 -4.505 -2.340 -19.180 166 HE2 LYS 26 1HE LYS 26 -5.568 -1.835 -16.369 167 HE3 LYS 26 2HE LYS 26 -6.529 -1.989 -17.842 168 HZ1 LYS 26 1HZ LYS 26 -6.559 -4.088 -16.735 169 HZ2 LYS 26 2HZ LYS 26 -4.947 -4.120 -16.513 170 HZ3 LYS 26 3HZ LYS 26 -5.581 -4.301 -18.026 171 H VAL 27 H VAL 27 -0.965 -2.708 -13.262 172 HA VAL 27 HA VAL 27 -0.838 -0.038 -12.078 173 HB VAL 27 HB VAL 27 -0.241 -2.759 -10.860 174 HG11 VAL 27 1HG1 VAL 27 -0.630 -0.047 -9.530 175 HG12 VAL 27 2HG1 VAL 27 -0.592 -1.601 -8.695 176 HG13 VAL 27 3HG1 VAL 27 0.843 -1.031 -9.520 177 HG21 VAL 27 1HG2 VAL 27 -2.600 -2.569 -11.555 178 HG22 VAL 27 2HG2 VAL 27 -2.488 -2.486 -9.797 179 HG23 VAL 27 3HG2 VAL 27 -2.741 -1.003 -10.733 180 H SER 28 H SER 28 0.923 1.110 -11.391 181 HA SER 28 HA SER 28 3.591 -0.147 -11.318 182 HB2 SER 28 1HB SER 28 3.304 0.853 -13.620 183 HB3 SER 28 2HB SER 28 3.166 2.445 -12.848 184 HG SER 28 HG SER 28 5.335 1.853 -13.535 185 H GLU 29 H GLU 29 5.214 1.412 -10.283 186 HA GLU 29 HA GLU 29 4.235 2.146 -7.725 187 HB2 GLU 29 1HB GLU 29 6.816 2.615 -9.233 188 HB3 GLU 29 2HB GLU 29 6.574 3.440 -7.706 189 HG2 GLU 29 1HG GLU 29 6.750 1.555 -6.453 190 HG3 GLU 29 2HG GLU 29 5.903 0.563 -7.614 191 HA PRO 30 HA PRO 30 4.186 6.791 -9.056 192 HB2 PRO 30 1HB PRO 30 3.525 6.483 -11.983 193 HB3 PRO 30 2HB PRO 30 4.435 7.789 -11.160 194 HG2 PRO 30 1HG PRO 30 5.767 5.885 -12.540 195 HG3 PRO 30 2HG PRO 30 6.366 6.380 -10.919 196 HD2 PRO 30 1HD PRO 30 4.634 3.992 -11.631 197 HD3 PRO 30 2HD PRO 30 6.123 4.044 -10.645 198 H LEU 31 H LEU 31 2.094 4.278 -10.475 199 HA LEU 31 HA LEU 31 -0.358 5.859 -10.370 200 HB2 LEU 31 1HB LEU 31 -0.155 3.803 -11.810 201 HB3 LEU 31 2HB LEU 31 0.009 2.833 -10.349 202 HG LEU 31 HG LEU 31 -2.301 3.760 -9.601 203 HD11 LEU 31 1HD1 LEU 31 -2.340 4.446 -12.564 204 HD12 LEU 31 2HD1 LEU 31 -2.415 5.616 -11.220 205 HD13 LEU 31 3HD1 LEU 31 -3.743 4.470 -11.466 206 HD21 LEU 31 1HD2 LEU 31 -3.469 2.118 -11.044 207 HD22 LEU 31 2HD2 LEU 31 -1.985 1.481 -10.329 208 HD23 LEU 31 3HD2 LEU 31 -2.004 1.985 -12.042 209 H LEU 32 H LEU 32 1.106 3.285 -8.320 210 HA LEU 32 HA LEU 32 -0.850 3.345 -6.281 211 HB2 LEU 32 1HB LEU 32 2.146 2.823 -5.943 212 HB3 LEU 32 2HB LEU 32 0.879 2.445 -4.779 213 HG LEU 32 HG LEU 32 1.364 1.137 -7.458 214 HD11 LEU 32 1HD1 LEU 32 2.712 0.370 -5.512 215 HD12 LEU 32 2HD1 LEU 32 1.579 -0.878 -6.069 216 HD13 LEU 32 3HD1 LEU 32 1.207 0.062 -4.605 217 HD21 LEU 32 1HD2 LEU 32 -1.001 0.863 -5.554 218 HD22 LEU 32 2HD2 LEU 32 -0.595 -0.347 -6.782 219 HD23 LEU 32 3HD2 LEU 32 -1.041 1.295 -7.284 220 H TRP 33 H TRP 33 2.089 5.351 -6.582 221 HA TRP 33 HA TRP 33 1.855 6.714 -4.119 222 HB2 TRP 33 1HB TRP 33 3.751 6.697 -5.825 223 HB3 TRP 33 2HB TRP 33 2.874 7.897 -6.740 224 HD1 TRP 33 HD TRP 33 2.062 9.837 -4.264 225 HE1 TRP 33 1HE TRP 33 3.898 11.186 -3.066 226 HE3 TRP 33 3HE TRP 33 6.090 7.097 -5.704 227 HZ2 TRP 33 2HZ TRP 33 6.783 11.107 -2.822 228 HZ3 TRP 33 3HZ TRP 33 8.406 7.749 -4.994 229 HH2 TRP 33 HH TRP 33 8.749 9.751 -3.558 230 H GLU 34 H GLU 34 0.829 7.990 -7.307 231 HA GLU 34 HA GLU 34 -0.605 10.207 -6.213 232 HB2 GLU 34 1HB GLU 34 -0.807 8.835 -8.931 233 HB3 GLU 34 2HB GLU 34 -1.596 10.368 -8.518 234 HG2 GLU 34 1HG GLU 34 0.680 11.253 -7.851 235 HG3 GLU 34 2HG GLU 34 1.401 9.823 -8.579 236 H LEU 35 H LEU 35 -1.746 6.939 -6.891 237 HA LEU 35 HA LEU 35 -4.559 7.532 -6.546 238 HB2 LEU 35 1HB LEU 35 -3.460 5.499 -7.705 239 HB3 LEU 35 2HB LEU 35 -3.184 4.863 -6.087 240 HG LEU 35 HG LEU 35 -5.789 5.219 -5.824 241 HD11 LEU 35 1HD1 LEU 35 -6.115 6.498 -7.904 242 HD12 LEU 35 2HD1 LEU 35 -7.052 4.996 -7.899 243 HD13 LEU 35 3HD1 LEU 35 -5.553 5.099 -8.846 244 HD21 LEU 35 1HD2 LEU 35 -6.224 2.991 -6.746 245 HD22 LEU 35 2HD2 LEU 35 -4.720 3.024 -5.827 246 HD23 LEU 35 3HD2 LEU 35 -4.667 3.034 -7.610 247 H PHE 36 H PHE 36 -1.956 6.606 -4.257 248 HA PHE 36 HA PHE 36 -3.862 6.279 -2.039 249 HB2 PHE 36 1HB PHE 36 -0.936 5.750 -2.436 250 HB3 PHE 36 2HB PHE 36 -1.572 5.873 -0.846 251 HD1 PHE 36 1HD PHE 36 -2.466 4.072 -4.061 252 HD2 PHE 36 2HD PHE 36 -2.238 3.901 0.233 253 HE1 PHE 36 1HE PHE 36 -3.165 1.701 -4.121 254 HE2 PHE 36 2HE PHE 36 -3.025 1.553 0.177 255 HZ PHE 36 HZ PHE 36 -3.497 0.448 -1.998 256 H LEU 37 H LEU 37 -2.122 8.932 -3.309 257 HA LEU 37 HA LEU 37 -1.840 10.606 -1.058 258 HB2 LEU 37 1HB LEU 37 -2.687 11.107 -3.930 259 HB3 LEU 37 2HB LEU 37 -2.525 12.432 -2.782 260 HG LEU 37 HG LEU 37 -0.278 10.608 -3.678 261 HD11 LEU 37 1HD1 LEU 37 -0.768 13.572 -4.138 262 HD12 LEU 37 2HD1 LEU 37 -1.056 12.298 -5.339 263 HD13 LEU 37 3HD1 LEU 37 0.591 12.606 -4.758 264 HD21 LEU 37 1HD2 LEU 37 1.184 12.189 -2.434 265 HD22 LEU 37 2HD2 LEU 37 0.120 11.253 -1.377 266 HD23 LEU 37 3HD2 LEU 37 -0.275 12.946 -1.740 267 H GLN 38 H GLN 38 -4.786 9.403 -2.376 268 HA GLN 38 HA GLN 38 -6.683 11.281 -1.311 269 HB2 GLN 38 1HB GLN 38 -7.003 8.269 -1.703 270 HB3 GLN 38 2HB GLN 38 -8.306 9.455 -1.538 271 HG2 GLN 38 1HG GLN 38 -7.526 10.564 -3.646 272 HG3 GLN 38 2HG GLN 38 -6.270 9.317 -3.770 273 HE21 GLN 38 1HE2 GLN 38 -6.864 7.173 -4.378 274 HE22 GLN 38 2HE2 GLN 38 -8.480 6.807 -5.004 275 H ALA 39 H ALA 39 -4.964 8.546 0.155 276 HA ALA 39 HA ALA 39 -6.563 8.538 2.598 277 HB1 ALA 39 1HB ALA 39 -5.434 6.501 1.696 278 HB2 ALA 39 2HB ALA 39 -3.866 7.260 1.984 279 HB3 ALA 39 3HB ALA 39 -4.915 6.890 3.357 280 H GLY 40 H GLY 40 -3.272 9.624 1.723 281 HA2 GLY 40 1HA GLY 40 -3.221 11.917 3.429 282 HA3 GLY 40 2HA GLY 40 -2.417 10.560 4.229 283 HA PRO 41 HA PRO 41 0.578 12.803 1.386 284 HB2 PRO 41 1HB PRO 41 2.559 13.312 3.221 285 HB3 PRO 41 2HB PRO 41 1.143 14.374 2.957 286 HG2 PRO 41 1HG PRO 41 1.476 12.221 5.068 287 HG3 PRO 41 2HG PRO 41 0.945 13.916 5.299 288 HD2 PRO 41 1HD PRO 41 -0.810 11.850 5.099 289 HD3 PRO 41 2HD PRO 41 -1.194 13.421 4.334 290 H VAL 42 H VAL 42 1.313 11.227 0.133 291 HA VAL 42 HA VAL 42 2.732 8.857 1.168 292 HB VAL 42 HB VAL 42 2.060 9.652 -1.681 293 HG11 VAL 42 1HG1 VAL 42 2.632 7.266 -2.184 294 HG12 VAL 42 2HG1 VAL 42 4.035 8.190 -1.672 295 HG13 VAL 42 3HG1 VAL 42 3.244 7.083 -0.531 296 HG21 VAL 42 1HG2 VAL 42 0.401 7.845 -1.569 297 HG22 VAL 42 2HG2 VAL 42 0.816 7.546 0.134 298 HG23 VAL 42 3HG2 VAL 42 0.044 9.072 -0.352 299 H VAL 43 H VAL 43 4.805 8.578 1.180 300 HA VAL 43 HA VAL 43 6.628 10.828 0.462 301 HB VAL 43 HB VAL 43 7.126 8.533 2.395 302 HG11 VAL 43 1HG1 VAL 43 8.303 11.341 2.212 303 HG12 VAL 43 2HG1 VAL 43 8.669 10.146 3.471 304 HG13 VAL 43 3HG1 VAL 43 9.137 9.819 1.795 305 HG21 VAL 43 1HG2 VAL 43 6.481 10.051 4.223 306 HG22 VAL 43 2HG2 VAL 43 5.888 11.241 3.036 307 HG23 VAL 43 3HG2 VAL 43 5.115 9.645 3.190 308 H ASN 44 H ASN 44 6.147 7.359 0.030 309 HA ASN 44 HA ASN 44 8.119 7.129 -2.110 310 HB2 ASN 44 1HB ASN 44 9.634 7.059 -0.235 311 HB3 ASN 44 2HB ASN 44 8.577 6.020 0.685 312 HD21 ASN 44 1HD2 ASN 44 9.649 4.152 0.994 313 HD22 ASN 44 2HD2 ASN 44 10.442 3.244 -0.305 314 H THR 45 H THR 45 8.122 4.911 -3.027 315 HA THR 45 HA THR 45 5.894 3.091 -2.318 316 HB THR 45 HB THR 45 5.489 2.774 -4.840 317 HG1 THR 45 1HG THR 45 7.239 4.161 -5.478 318 HG21 THR 45 1HG2 THR 45 3.835 3.788 -3.303 319 HG22 THR 45 2HG2 THR 45 3.753 4.368 -4.967 320 HG23 THR 45 3HG2 THR 45 4.489 5.395 -3.702 321 H HIS 46 H HIS 46 6.211 0.903 -3.058 322 HA HIS 46 HA HIS 46 8.736 0.317 -4.497 323 HB2 HIS 46 1HB HIS 46 9.047 0.235 -1.890 324 HB3 HIS 46 2HB HIS 46 8.062 -1.206 -1.964 325 HD2 HIS 46 2HD HIS 46 11.580 0.007 -2.600 326 HE1 HIS 46 1HE HIS 46 11.510 -3.997 -4.074 327 HE2 HIS 46 2HE HIS 46 13.010 -2.021 -3.491 328 H MET 47 H MET 47 8.362 -1.175 -6.062 329 HA MET 47 HA MET 47 6.357 -3.343 -5.533 330 HB2 MET 47 1HB MET 47 6.578 -1.693 -8.060 331 HB3 MET 47 2HB MET 47 5.882 -3.314 -8.023 332 HG2 MET 47 1HG MET 47 4.185 -2.683 -6.479 333 HG3 MET 47 2HG MET 47 4.909 -1.102 -6.190 334 HE1 MET 47 1HE MET 47 4.399 -2.713 -9.847 335 HE2 MET 47 2HE MET 47 3.221 -3.438 -8.724 336 HE3 MET 47 3HE MET 47 2.672 -2.355 -10.028 337 HA PRO 48 HA PRO 48 10.313 -5.420 -6.347 338 HB2 PRO 48 1HB PRO 48 8.487 -7.726 -5.622 339 HB3 PRO 48 2HB PRO 48 10.210 -7.475 -5.184 340 HG2 PRO 48 1HG PRO 48 8.312 -6.881 -3.375 341 HG3 PRO 48 2HG PRO 48 9.619 -5.695 -3.661 342 HD2 PRO 48 1HD PRO 48 6.811 -5.703 -4.822 343 HD3 PRO 48 2HD PRO 48 7.698 -4.347 -4.055 344 H LYS 49 H LYS 49 11.099 -6.547 -8.122 345 HA LYS 49 HA LYS 49 9.171 -6.911 -10.371 346 HB2 LYS 49 1HB LYS 49 12.125 -6.235 -10.506 347 HB3 LYS 49 2HB LYS 49 11.012 -6.347 -11.864 348 HG2 LYS 49 1HG LYS 49 10.987 -4.255 -9.658 349 HG3 LYS 49 2HG LYS 49 11.446 -4.035 -11.348 350 HD2 LYS 49 1HD LYS 49 9.063 -4.670 -11.988 351 HD3 LYS 49 2HD LYS 49 8.651 -4.600 -10.272 352 HE2 LYS 49 1HE LYS 49 9.653 -2.309 -12.021 353 HE3 LYS 49 2HE LYS 49 8.027 -2.528 -11.373 354 HZ1 LYS 49 1HZ LYS 49 9.152 -2.433 -9.105 355 HZ2 LYS 49 2HZ LYS 49 9.037 -1.016 -9.902 356 HZ3 LYS 49 3HZ LYS 49 10.466 -1.825 -9.863 357 H ASP 50 H ASP 50 9.475 -8.425 -11.939 358 HA ASP 50 HA ASP 50 10.257 -11.077 -11.031 359 HB2 ASP 50 1HB ASP 50 8.190 -10.703 -12.290 360 HB3 ASP 50 2HB ASP 50 9.093 -9.995 -13.627 361 H ARG 51 H ARG 51 11.838 -12.414 -11.864 362 HA ARG 51 HA ARG 51 14.203 -11.046 -12.934 363 HB2 ARG 51 1HB ARG 51 15.445 -12.950 -12.176 364 HB3 ARG 51 2HB ARG 51 14.329 -12.436 -10.915 365 HG2 ARG 51 1HG ARG 51 12.768 -14.289 -11.555 366 HG3 ARG 51 2HG ARG 51 13.923 -14.808 -12.797 367 HD2 ARG 51 1HD ARG 51 15.636 -15.199 -11.035 368 HD3 ARG 51 2HD ARG 51 14.487 -14.664 -9.809 369 HE ARG 51 HE ARG 51 13.347 -16.678 -9.937 370 HH11 ARG 51 1HH1 ARG 51 15.363 -18.327 -12.962 371 HH12 ARG 51 2HH1 ARG 51 15.633 -16.645 -12.599 372 HH21 ARG 51 1HH2 ARG 51 13.057 -18.810 -10.460 373 HH22 ARG 51 2HH2 ARG 51 13.944 -19.514 -11.780 374 H VAL 52 H VAL 52 11.793 -12.111 -14.727 375 HA VAL 52 HA VAL 52 13.542 -13.302 -16.860 376 HB VAL 52 HB VAL 52 10.718 -14.223 -16.185 377 HG11 VAL 52 1HG1 VAL 52 11.267 -14.508 -18.563 378 HG12 VAL 52 2HG1 VAL 52 12.796 -15.310 -18.132 379 HG13 VAL 52 3HG1 VAL 52 11.235 -16.072 -17.753 380 HG21 VAL 52 1HG2 VAL 52 11.801 -16.370 -15.499 381 HG22 VAL 52 2HG2 VAL 52 13.388 -15.574 -15.603 382 HG23 VAL 52 3HG2 VAL 52 12.172 -15.034 -14.417 383 H THR 53 H THR 53 10.578 -11.512 -16.046 384 HA THR 53 HA THR 53 10.382 -10.507 -18.850 385 HB THR 53 HB THR 53 8.006 -10.144 -18.384 386 HG1 THR 53 1HG THR 53 8.556 -11.401 -15.897 387 HG21 THR 53 1HG2 THR 53 8.768 -12.989 -17.596 388 HG22 THR 53 2HG2 THR 53 8.697 -12.375 -19.264 389 HG23 THR 53 3HG2 THR 53 7.225 -12.436 -18.277 390 H GLY 54 H GLY 54 10.982 -9.573 -15.599 391 HA2 GLY 54 1HA GLY 54 11.452 -7.581 -14.639 392 HA3 GLY 54 2HA GLY 54 11.385 -6.827 -16.238 393 H GLN 55 H GLN 55 8.474 -8.434 -15.538 394 HA GLN 55 HA GLN 55 6.848 -6.064 -15.055 395 HB2 GLN 55 1HB GLN 55 6.270 -9.046 -14.764 396 HB3 GLN 55 2HB GLN 55 5.056 -7.766 -14.721 397 HG2 GLN 55 1HG GLN 55 5.552 -7.153 -17.056 398 HG3 GLN 55 2HG GLN 55 6.822 -8.369 -17.136 399 HE21 GLN 55 1HE2 GLN 55 6.159 -10.683 -16.747 400 HE22 GLN 55 2HE2 GLN 55 4.544 -11.157 -17.297 401 H HIS 56 H HIS 56 5.305 -6.113 -13.006 402 HA HIS 56 HA HIS 56 6.953 -6.390 -10.582 403 HB2 HIS 56 1HB HIS 56 5.097 -5.499 -9.375 404 HB3 HIS 56 2HB HIS 56 5.428 -4.515 -10.793 405 HD2 HIS 56 2HD HIS 56 3.347 -3.920 -12.247 406 HE1 HIS 56 1HE HIS 56 0.609 -6.843 -10.795 407 HE2 HIS 56 2HE HIS 56 0.851 -4.785 -12.254 408 H GLN 57 H GLN 57 6.370 -7.686 -8.745 409 HA GLN 57 HA GLN 57 5.788 -10.428 -9.514 410 HB2 GLN 57 1HB GLN 57 6.488 -9.158 -6.847 411 HB3 GLN 57 2HB GLN 57 6.294 -10.899 -7.108 412 HG2 GLN 57 1HG GLN 57 8.123 -10.878 -8.775 413 HG3 GLN 57 2HG GLN 57 8.368 -9.162 -8.481 414 HE21 GLN 57 1HE2 GLN 57 10.649 -9.914 -7.909 415 HE22 GLN 57 2HE2 GLN 57 10.890 -10.508 -6.269 416 H GLY 58 H GLY 58 3.460 -8.293 -9.333 417 HA2 GLY 58 1HA GLY 58 1.171 -8.643 -9.123 418 HA3 GLY 58 2HA GLY 58 1.448 -10.134 -8.228 419 H TYR 59 H TYR 59 3.322 -7.760 -6.757 420 HA TYR 59 HA TYR 59 1.190 -6.599 -5.099 421 HB2 TYR 59 1HB TYR 59 2.093 -7.329 -3.015 422 HB3 TYR 59 2HB TYR 59 1.746 -8.737 -3.993 423 HD1 TYR 59 1HD TYR 59 3.634 -10.031 -5.061 424 HD2 TYR 59 2HD TYR 59 4.325 -6.836 -2.238 425 HE1 TYR 59 1HE TYR 59 5.962 -10.835 -4.720 426 HE2 TYR 59 2HE TYR 59 6.636 -7.690 -1.859 427 HH TYR 59 HH TYR 59 7.975 -10.440 -3.714 428 H GLY 60 H GLY 60 1.920 -4.922 -3.679 429 HA2 GLY 60 1HA GLY 60 4.530 -3.624 -4.214 430 HA3 GLY 60 2HA GLY 60 3.054 -2.773 -4.680 431 H PHE 61 H PHE 61 4.456 -1.399 -3.099 432 HA PHE 61 HA PHE 61 3.068 -1.397 -0.487 433 HB2 PHE 61 1HB PHE 61 6.050 -0.973 -0.920 434 HB3 PHE 61 2HB PHE 61 5.207 -0.786 0.599 435 HD1 PHE 61 1HD PHE 61 4.426 -2.731 1.890 436 HD2 PHE 61 2HD PHE 61 6.627 -3.193 -1.785 437 HE1 PHE 61 1HE PHE 61 4.969 -5.081 2.510 438 HE2 PHE 61 2HE PHE 61 7.163 -5.536 -1.173 439 HZ PHE 61 HZ PHE 61 6.328 -6.488 0.973 440 H VAL 62 H VAL 62 2.830 0.628 0.469 441 HA VAL 62 HA VAL 62 3.797 3.042 -1.006 442 HB VAL 62 HB VAL 62 0.977 2.800 0.108 443 HG11 VAL 62 1HG1 VAL 62 2.318 4.953 -1.562 444 HG12 VAL 62 2HG1 VAL 62 0.629 4.931 -1.017 445 HG13 VAL 62 3HG1 VAL 62 1.907 5.080 0.170 446 HG21 VAL 62 1HG2 VAL 62 1.042 1.415 -1.871 447 HG22 VAL 62 2HG2 VAL 62 0.247 2.937 -2.277 448 HG23 VAL 62 3HG2 VAL 62 1.934 2.662 -2.765 449 H GLU 63 H GLU 63 4.769 4.475 0.311 450 HA GLU 63 HA GLU 63 4.632 4.012 3.258 451 HB2 GLU 63 1HB GLU 63 6.801 3.729 2.081 452 HB3 GLU 63 2HB GLU 63 6.715 5.447 1.618 453 HG2 GLU 63 1HG GLU 63 6.767 6.148 3.932 454 HG3 GLU 63 2HG GLU 63 6.656 4.481 4.498 455 H PHE 64 H PHE 64 3.568 5.402 4.451 456 HA PHE 64 HA PHE 64 2.890 8.109 3.439 457 HB2 PHE 64 1HB PHE 64 1.795 6.375 5.683 458 HB3 PHE 64 2HB PHE 64 1.355 8.060 5.451 459 HD1 PHE 64 1HD PHE 64 0.982 4.651 4.082 460 HD2 PHE 64 2HD PHE 64 0.134 8.835 3.491 461 HE1 PHE 64 1HE PHE 64 -0.722 4.066 2.367 462 HE2 PHE 64 2HE PHE 64 -1.553 8.244 1.758 463 HZ PHE 64 HZ PHE 64 -2.007 5.881 1.230 464 H LEU 65 H LEU 65 3.000 9.918 4.891 465 HA LEU 65 HA LEU 65 5.484 10.236 6.228 466 HB2 LEU 65 1HB LEU 65 3.861 12.002 5.253 467 HB3 LEU 65 2HB LEU 65 2.958 11.824 6.766 468 HG LEU 65 HG LEU 65 5.148 12.424 7.975 469 HD11 LEU 65 1HD1 LEU 65 6.777 13.742 6.646 470 HD12 LEU 65 2HD1 LEU 65 5.901 13.324 5.157 471 HD13 LEU 65 3HD1 LEU 65 6.725 12.063 6.099 472 HD21 LEU 65 1HD2 LEU 65 3.272 14.006 7.712 473 HD22 LEU 65 2HD2 LEU 65 3.883 14.485 6.112 474 HD23 LEU 65 3HD2 LEU 65 4.826 14.844 7.579 475 H SER 66 H SER 66 2.349 9.177 7.486 476 HA SER 66 HA SER 66 3.586 8.494 10.115 477 HB2 SER 66 1HB SER 66 0.917 9.914 9.940 478 HB3 SER 66 2HB SER 66 1.866 9.525 11.376 479 HG SER 66 HG SER 66 2.033 11.739 10.783 480 H GLU 67 H GLU 67 2.454 7.089 11.395 481 HA GLU 67 HA GLU 67 1.602 4.761 10.015 482 HB2 GLU 67 1HB GLU 67 1.437 5.585 12.940 483 HB3 GLU 67 2HB GLU 67 1.192 3.964 12.323 484 HG2 GLU 67 1HG GLU 67 3.384 3.918 13.111 485 HG3 GLU 67 2HG GLU 67 3.511 4.002 11.355 486 H GLU 68 H GLU 68 -0.313 7.313 11.557 487 HA GLU 68 HA GLU 68 -2.832 5.869 11.439 488 HB2 GLU 68 1HB GLU 68 -3.844 7.971 12.086 489 HB3 GLU 68 2HB GLU 68 -2.448 7.599 13.097 490 HG2 GLU 68 1HG GLU 68 -1.071 9.208 11.755 491 HG3 GLU 68 2HG GLU 68 -2.497 9.604 10.794 492 H ASP 69 H ASP 69 -1.051 7.846 9.138 493 HA ASP 69 HA ASP 69 -3.289 8.155 7.265 494 HB2 ASP 69 1HB ASP 69 -0.286 8.526 6.991 495 HB3 ASP 69 2HB ASP 69 -1.424 8.818 5.692 496 H ALA 70 H ALA 70 -0.658 5.803 7.822 497 HA ALA 70 HA ALA 70 -1.277 4.165 5.518 498 HB1 ALA 70 1HB ALA 70 0.902 4.024 6.674 499 HB2 ALA 70 2HB ALA 70 0.123 3.545 8.190 500 HB3 ALA 70 3HB ALA 70 0.087 2.452 6.815 501 H ASP 71 H ASP 71 -2.264 3.994 8.989 502 HA ASP 71 HA ASP 71 -3.997 1.765 8.825 503 HB2 ASP 71 1HB ASP 71 -3.228 2.873 10.899 504 HB3 ASP 71 2HB ASP 71 -4.267 4.253 10.540 505 H TYR 72 H TYR 72 -4.667 5.160 7.973 506 HA TYR 72 HA TYR 72 -7.489 4.705 7.431 507 HB2 TYR 72 1HB TYR 72 -6.493 6.903 8.099 508 HB3 TYR 72 2HB TYR 72 -5.683 6.968 6.527 509 HD1 TYR 72 1HD TYR 72 -9.093 6.616 8.106 510 HD2 TYR 72 2HD TYR 72 -6.816 7.915 4.693 511 HE1 TYR 72 1HE TYR 72 -11.163 7.559 7.089 512 HE2 TYR 72 2HE TYR 72 -8.887 8.865 3.665 513 HH TYR 72 HH TYR 72 -12.073 8.668 5.302 514 H ALA 73 H ALA 73 -4.528 4.710 5.358 515 HA ALA 73 HA ALA 73 -5.920 4.595 2.866 516 HB1 ALA 73 1HB ALA 73 -3.208 3.404 3.576 517 HB2 ALA 73 2HB ALA 73 -3.798 3.871 1.962 518 HB3 ALA 73 3HB ALA 73 -3.491 5.109 3.198 519 H ILE 74 H ILE 74 -4.908 2.050 5.113 520 HA ILE 74 HA ILE 74 -5.761 -0.235 3.624 521 HB ILE 74 HB ILE 74 -5.578 0.251 6.628 522 HG12 ILE 74 1HG1 ILE 74 -3.546 -1.172 4.862 523 HG13 ILE 74 2HG1 ILE 74 -3.467 0.562 5.127 524 HG21 ILE 74 1HG2 ILE 74 -5.340 -2.254 6.801 525 HG22 ILE 74 2HG2 ILE 74 -6.929 -1.763 6.224 526 HG23 ILE 74 3HG2 ILE 74 -5.717 -2.368 5.080 527 HD11 ILE 74 1HD1 ILE 74 -3.342 -1.501 7.341 528 HD12 ILE 74 2HD1 ILE 74 -1.987 -0.600 6.636 529 HD13 ILE 74 3HD1 ILE 74 -3.244 0.264 7.524 530 H LYS 75 H LYS 75 -7.568 1.943 5.798 531 HA LYS 75 HA LYS 75 -10.024 0.447 5.813 532 HB2 LYS 75 1HB LYS 75 -9.461 2.078 7.519 533 HB3 LYS 75 2HB LYS 75 -9.428 3.390 6.341 534 HG2 LYS 75 1HG LYS 75 -11.796 3.223 5.938 535 HG3 LYS 75 2HG LYS 75 -11.901 1.756 6.935 536 HD2 LYS 75 1HD LYS 75 -11.237 3.089 8.938 537 HD3 LYS 75 2HD LYS 75 -11.049 4.519 7.919 538 HE2 LYS 75 1HE LYS 75 -13.148 4.727 9.034 539 HE3 LYS 75 2HE LYS 75 -13.473 4.412 7.327 540 HZ1 LYS 75 1HZ LYS 75 -13.590 2.372 9.493 541 HZ2 LYS 75 2HZ LYS 75 -13.931 2.086 7.917 542 HZ3 LYS 75 3HZ LYS 75 -14.886 3.073 8.796 543 H ILE 76 H ILE 76 -8.825 2.921 3.529 544 HA ILE 76 HA ILE 76 -11.436 2.878 2.135 545 HB ILE 76 HB ILE 76 -10.674 4.847 0.981 546 HG12 ILE 76 1HG1 ILE 76 -8.163 4.896 2.677 547 HG13 ILE 76 2HG1 ILE 76 -8.174 4.188 1.072 548 HG21 ILE 76 1HG2 ILE 76 -11.822 4.997 3.195 549 HG22 ILE 76 2HG2 ILE 76 -10.236 5.113 3.990 550 HG23 ILE 76 3HG2 ILE 76 -10.768 6.378 2.869 551 HD11 ILE 76 1HD1 ILE 76 -9.075 6.351 0.178 552 HD12 ILE 76 2HD1 ILE 76 -8.780 7.054 1.795 553 HD13 ILE 76 3HD1 ILE 76 -7.435 6.408 0.828 554 H MET 77 H MET 77 -8.311 1.516 1.528 555 HA MET 77 HA MET 77 -8.930 1.151 -1.376 556 HB2 MET 77 1HB MET 77 -6.418 0.969 0.252 557 HB3 MET 77 2HB MET 77 -6.465 0.552 -1.450 558 HG2 MET 77 1HG MET 77 -7.538 3.244 -0.713 559 HG3 MET 77 2HG MET 77 -5.803 2.980 -0.635 560 HE1 MET 77 1HE MET 77 -6.718 5.266 -2.622 561 HE2 MET 77 2HE MET 77 -5.168 4.587 -2.073 562 HE3 MET 77 3HE MET 77 -5.485 4.747 -3.800 563 H ASP 78 H ASP 78 -9.335 -0.775 1.347 564 HA ASP 78 HA ASP 78 -8.172 -3.226 0.245 565 HB2 ASP 78 1HB ASP 78 -8.117 -2.745 2.647 566 HB3 ASP 78 2HB ASP 78 -9.883 -2.857 2.716 567 H MET 79 H MET 79 -9.160 -5.085 -0.412 568 HA MET 79 HA MET 79 -10.451 -6.335 -1.706 569 HB2 MET 79 1HB MET 79 -12.743 -5.222 -0.065 570 HB3 MET 79 2HB MET 79 -12.846 -6.625 -1.130 571 HG2 MET 79 1HG MET 79 -10.992 -6.395 1.257 572 HG3 MET 79 2HG MET 79 -12.531 -7.245 1.236 573 HE1 MET 79 1HE MET 79 -9.633 -9.951 1.526 574 HE2 MET 79 2HE MET 79 -9.508 -8.254 2.046 575 HE3 MET 79 3HE MET 79 -10.999 -9.174 2.361 576 H ILE 80 H ILE 80 -10.196 -3.313 -2.442 577 HA ILE 80 HA ILE 80 -12.380 -2.861 -4.311 578 HB ILE 80 HB ILE 80 -10.020 -1.393 -3.205 579 HG12 ILE 80 1HG1 ILE 80 -12.919 -0.555 -3.546 580 HG13 ILE 80 2HG1 ILE 80 -12.413 -1.591 -2.223 581 HG21 ILE 80 1HG2 ILE 80 -10.362 0.546 -4.604 582 HG22 ILE 80 2HG2 ILE 80 -9.797 -0.824 -5.550 583 HG23 ILE 80 3HG2 ILE 80 -11.521 -0.350 -5.622 584 HD11 ILE 80 1HD1 ILE 80 -12.540 0.730 -1.497 585 HD12 ILE 80 2HD1 ILE 80 -10.896 0.092 -1.369 586 HD13 ILE 80 3HD1 ILE 80 -11.316 1.205 -2.689 587 H LYS 81 H LYS 81 -12.214 -2.572 -6.557 588 HA LYS 81 HA LYS 81 -10.342 -4.555 -7.734 589 HB2 LYS 81 1HB LYS 81 -13.028 -3.542 -8.709 590 HB3 LYS 81 2HB LYS 81 -12.016 -4.762 -9.501 591 HG2 LYS 81 1HG LYS 81 -12.148 -6.141 -7.368 592 HG3 LYS 81 2HG LYS 81 -13.323 -4.971 -6.757 593 HD2 LYS 81 1HD LYS 81 -14.656 -6.696 -7.604 594 HD3 LYS 81 2HD LYS 81 -14.698 -5.471 -8.881 595 HE2 LYS 81 1HE LYS 81 -12.800 -6.756 -10.018 596 HE3 LYS 81 2HE LYS 81 -12.985 -8.001 -8.781 597 HZ1 LYS 81 1HZ LYS 81 -15.277 -8.330 -9.536 598 HZ2 LYS 81 2HZ LYS 81 -14.248 -8.545 -10.785 599 HZ3 LYS 81 3HZ LYS 81 -15.120 -7.171 -10.677 600 H LEU 82 H LEU 82 -8.654 -2.889 -7.639 601 HA LEU 82 HA LEU 82 -8.579 -0.682 -9.451 602 HB2 LEU 82 1HB LEU 82 -6.960 -1.087 -7.582 603 HB3 LEU 82 2HB LEU 82 -6.304 -2.468 -8.457 604 HG LEU 82 HG LEU 82 -5.430 -1.009 -10.211 605 HD11 LEU 82 1HD1 LEU 82 -7.078 0.799 -10.286 606 HD12 LEU 82 2HD1 LEU 82 -5.497 1.479 -9.918 607 HD13 LEU 82 3HD1 LEU 82 -6.686 1.268 -8.616 608 HD21 LEU 82 1HD2 LEU 82 -4.084 -1.403 -8.165 609 HD22 LEU 82 2HD2 LEU 82 -4.792 0.043 -7.418 610 HD23 LEU 82 3HD2 LEU 82 -3.761 0.197 -8.854 611 H TYR 83 H TYR 83 -8.385 -0.625 -11.722 612 HA TYR 83 HA TYR 83 -8.925 -1.530 -13.743 613 HB2 TYR 83 1HB TYR 83 -6.405 -3.119 -13.213 614 HB3 TYR 83 2HB TYR 83 -7.097 -2.774 -14.786 615 HD1 TYR 83 1HD TYR 83 -4.587 -1.789 -12.601 616 HD2 TYR 83 2HD TYR 83 -7.571 -0.146 -15.247 617 HE1 TYR 83 1HE TYR 83 -3.201 0.253 -12.904 618 HE2 TYR 83 2HE TYR 83 -6.196 1.909 -15.522 619 HH TYR 83 HH TYR 83 -4.251 2.985 -14.976 620 H GLY 84 H GLY 84 -10.358 -3.116 -11.630 621 HA2 GLY 84 1HA GLY 84 -11.984 -4.740 -11.892 622 HA3 GLY 84 2HA GLY 84 -11.283 -5.234 -13.424 623 H LYS 85 H LYS 85 -9.173 -5.272 -10.621 624 HA LYS 85 HA LYS 85 -9.413 -8.180 -10.204 625 HB2 LYS 85 1HB LYS 85 -7.560 -7.689 -11.778 626 HB3 LYS 85 2HB LYS 85 -6.844 -6.592 -10.589 627 HG2 LYS 85 1HG LYS 85 -6.603 -8.515 -9.000 628 HG3 LYS 85 2HG LYS 85 -7.294 -9.593 -10.228 629 HD2 LYS 85 1HD LYS 85 -5.431 -9.051 -11.768 630 HD3 LYS 85 2HD LYS 85 -4.763 -7.925 -10.568 631 HE2 LYS 85 1HE LYS 85 -4.498 -9.799 -8.960 632 HE3 LYS 85 2HE LYS 85 -5.143 -10.926 -10.162 633 HZ1 LYS 85 1HZ LYS 85 -2.659 -9.316 -10.501 634 HZ2 LYS 85 2HZ LYS 85 -3.248 -10.387 -11.593 635 HZ3 LYS 85 3HZ LYS 85 -2.704 -10.918 -10.151 636 HA PRO 86 HA PRO 86 -9.905 -6.163 -6.266 637 HB2 PRO 86 1HB PRO 86 -10.311 -8.332 -4.615 638 HB3 PRO 86 2HB PRO 86 -11.511 -7.654 -5.755 639 HG2 PRO 86 1HG PRO 86 -9.684 -10.022 -6.170 640 HG3 PRO 86 2HG PRO 86 -11.423 -9.870 -6.571 641 HD2 PRO 86 1HD PRO 86 -9.451 -9.558 -8.428 642 HD3 PRO 86 2HD PRO 86 -10.935 -8.555 -8.503 643 H ILE 87 H ILE 87 -8.227 -5.096 -5.453 644 HA ILE 87 HA ILE 87 -5.761 -6.451 -4.627 645 HB ILE 87 HB ILE 87 -4.968 -4.234 -3.947 646 HG12 ILE 87 1HG1 ILE 87 -7.338 -2.971 -5.344 647 HG13 ILE 87 2HG1 ILE 87 -7.357 -3.230 -3.596 648 HG21 ILE 87 1HG2 ILE 87 -6.004 -4.438 -6.810 649 HG22 ILE 87 2HG2 ILE 87 -4.664 -3.413 -6.262 650 HG23 ILE 87 3HG2 ILE 87 -4.526 -5.174 -6.169 651 HD11 ILE 87 1HD1 ILE 87 -6.672 -0.967 -4.116 652 HD12 ILE 87 2HD1 ILE 87 -5.321 -1.844 -3.373 653 HD13 ILE 87 3HD1 ILE 87 -5.338 -1.547 -5.130 654 H ARG 88 H ARG 88 -5.021 -6.746 -2.618 655 HA ARG 88 HA ARG 88 -6.894 -6.356 -0.296 656 HB2 ARG 88 1HB ARG 88 -4.860 -8.518 -0.925 657 HB3 ARG 88 2HB ARG 88 -5.328 -8.155 0.731 658 HG2 ARG 88 1HG ARG 88 -6.592 -10.033 -0.148 659 HG3 ARG 88 2HG ARG 88 -7.646 -8.692 0.309 660 HD2 ARG 88 1HD ARG 88 -8.123 -8.140 -1.958 661 HD3 ARG 88 2HD ARG 88 -6.739 -9.073 -2.546 662 HE ARG 88 HE ARG 88 -8.978 -10.475 -1.151 663 HH11 ARG 88 1HH1 ARG 88 -7.567 -9.852 -4.305 664 HH12 ARG 88 2HH1 ARG 88 -8.033 -11.424 -4.903 665 HH21 ARG 88 1HH2 ARG 88 -9.688 -12.362 -2.050 666 HH22 ARG 88 2HH2 ARG 88 -9.311 -12.736 -3.705 667 H VAL 89 H VAL 89 -6.274 -5.058 1.250 668 HA VAL 89 HA VAL 89 -3.492 -3.944 1.179 669 HB VAL 89 HB VAL 89 -6.004 -2.311 1.649 670 HG11 VAL 89 1HG1 VAL 89 -3.095 -1.505 1.184 671 HG12 VAL 89 2HG1 VAL 89 -4.471 -0.391 1.346 672 HG13 VAL 89 3HG1 VAL 89 -3.972 -1.379 2.715 673 HG21 VAL 89 1HG2 VAL 89 -4.236 -2.575 -0.812 674 HG22 VAL 89 2HG2 VAL 89 -5.960 -2.990 -0.708 675 HG23 VAL 89 3HG2 VAL 89 -5.450 -1.308 -0.582 676 H ASN 90 H ASN 90 -2.456 -3.572 3.060 677 HA ASN 90 HA ASN 90 -3.727 -3.583 5.689 678 HB2 ASN 90 1HB ASN 90 -3.564 -6.065 4.687 679 HB3 ASN 90 2HB ASN 90 -1.880 -5.908 5.133 680 HD21 ASN 90 1HD2 ASN 90 -4.057 -7.677 6.109 681 HD22 ASN 90 2HD2 ASN 90 -3.930 -7.499 7.852 682 H LYS 91 H LYS 91 -1.792 -3.868 7.406 683 HA LYS 91 HA LYS 91 0.208 -1.798 6.848 684 HB2 LYS 91 1HB LYS 91 0.071 -3.797 9.146 685 HB3 LYS 91 2HB LYS 91 1.031 -2.327 9.096 686 HG2 LYS 91 1HG LYS 91 -2.012 -2.324 9.011 687 HG3 LYS 91 2HG LYS 91 -1.107 -2.323 10.500 688 HD2 LYS 91 1HD LYS 91 -0.609 -0.157 8.418 689 HD3 LYS 91 2HD LYS 91 -1.941 -0.069 9.587 690 HE2 LYS 91 1HE LYS 91 -0.240 -0.459 11.429 691 HE3 LYS 91 2HE LYS 91 1.033 -0.341 10.205 692 HZ1 LYS 91 1HZ LYS 91 0.512 1.898 9.829 693 HZ2 LYS 91 2HZ LYS 91 0.666 1.687 11.422 694 HZ3 LYS 91 3HZ LYS 91 -0.852 1.880 10.787 695 H ALA 92 H ALA 92 2.408 -2.070 6.317 696 HA ALA 92 HA ALA 92 3.316 -4.711 5.445 697 HB1 ALA 92 1HB ALA 92 3.999 -2.623 4.316 698 HB2 ALA 92 2HB ALA 92 4.864 -2.121 5.784 699 HB3 ALA 92 3HB ALA 92 5.389 -3.564 4.898 700 H SER 93 H SER 93 3.161 -3.161 8.511 701 HA SER 93 HA SER 93 5.190 -4.827 9.828 702 HB2 SER 93 1HB SER 93 4.372 -3.653 11.861 703 HB3 SER 93 2HB SER 93 4.882 -2.539 10.580 704 HG SER 93 HG SER 93 2.829 -2.007 11.582 705 H ALA 94 H ALA 94 2.113 -5.571 8.687 706 HA ALA 94 HA ALA 94 0.902 -6.796 10.952 707 HB1 ALA 94 1HB ALA 94 -0.600 -7.810 9.308 708 HB2 ALA 94 2HB ALA 94 -0.326 -6.109 8.927 709 HB3 ALA 94 3HB ALA 94 0.506 -7.373 7.989 710 H HIS 95 H HIS 95 0.605 -8.983 11.511 711 HA HIS 95 HA HIS 95 2.599 -10.996 10.616 712 HB2 HIS 95 1HB HIS 95 3.566 -11.229 12.827 713 HB3 HIS 95 2HB HIS 95 3.729 -9.555 12.319 714 HD2 HIS 95 2HD HIS 95 1.991 -7.771 13.409 715 HE1 HIS 95 1HE HIS 95 0.611 -10.229 16.604 716 HE2 HIS 95 2HE HIS 95 0.624 -7.857 15.670 717 H ASN 96 H ASN 96 2.374 -13.040 12.063 718 HA ASN 96 HA ASN 96 -0.256 -13.316 13.369 719 HB2 ASN 96 1HB ASN 96 -0.313 -14.178 10.914 720 HB3 ASN 96 2HB ASN 96 0.642 -15.536 11.504 721 HD21 ASN 96 1HD2 ASN 96 -0.382 -16.657 13.514 722 HD22 ASN 96 2HD2 ASN 96 -2.140 -16.824 13.473 723 H LYS 97 H LYS 97 2.209 -12.799 14.501 724 HA LYS 97 HA LYS 97 3.359 -15.352 15.507 725 HB2 LYS 97 1HB LYS 97 4.793 -13.537 14.573 726 HB3 LYS 97 2HB LYS 97 4.283 -12.474 15.893 727 HG2 LYS 97 1HG LYS 97 5.267 -14.047 17.543 728 HG3 LYS 97 2HG LYS 97 5.714 -15.154 16.230 729 HD2 LYS 97 1HD LYS 97 7.195 -13.409 15.267 730 HD3 LYS 97 2HD LYS 97 6.739 -12.299 16.581 731 HE2 LYS 97 1HE LYS 97 7.636 -13.909 18.248 732 HE3 LYS 97 2HE LYS 97 8.080 -15.019 16.945 733 HZ1 LYS 97 1HZ LYS 97 9.976 -13.674 17.645 734 HZ2 LYS 97 2HZ LYS 97 9.194 -12.285 17.304 735 HZ3 LYS 97 3HZ LYS 97 9.604 -13.312 16.099 736 H ASN 98 H ASN 98 1.750 -12.451 16.763 737 HA ASN 98 HA ASN 98 1.475 -13.755 19.450 738 HB2 ASN 98 1HB ASN 98 1.558 -10.809 18.688 739 HB3 ASN 98 2HB ASN 98 1.168 -11.414 20.293 740 HD21 ASN 98 1HD2 ASN 98 3.205 -9.648 20.110 741 HD22 ASN 98 2HD2 ASN 98 4.728 -10.486 20.367 742 H LEU 99 H LEU 99 -0.481 -13.899 20.410 743 HA LEU 99 HA LEU 99 -2.894 -12.655 19.303 744 HB2 LEU 99 1HB LEU 99 -2.622 -14.666 17.879 745 HB3 LEU 99 2HB LEU 99 -2.532 -15.686 19.313 746 HG LEU 99 HG LEU 99 -4.885 -15.111 19.879 747 HD11 LEU 99 1HD1 LEU 99 -4.839 -13.582 17.237 748 HD12 LEU 99 2HD1 LEU 99 -5.102 -12.886 18.853 749 HD13 LEU 99 3HD1 LEU 99 -6.300 -13.985 18.167 750 HD21 LEU 99 1HD2 LEU 99 -4.505 -16.097 17.023 751 HD22 LEU 99 2HD2 LEU 99 -5.929 -16.371 18.052 752 HD23 LEU 99 3HD2 LEU 99 -4.371 -17.085 18.496 753 H SER 100 H SER 100 -1.674 -15.146 21.594 754 HA SER 100 HA SER 100 -3.772 -14.880 23.504 755 HB2 SER 100 1HB SER 100 -0.937 -15.901 23.907 756 HB3 SER 100 2HB SER 100 -2.334 -16.221 24.952 757 HG SER 100 HG SER 100 -1.953 -17.937 23.473 758 H GLY 101 H GLY 101 -3.614 -14.167 25.732 759 HA2 GLY 101 1HA GLY 101 -1.564 -12.266 26.563 760 HA3 GLY 101 2HA GLY 101 -3.125 -11.515 26.226 761 HA PRO 102 HA PRO 102 -2.863 -13.302 30.605 762 HB2 PRO 102 1HB PRO 102 -2.707 -11.035 32.114 763 HB3 PRO 102 2HB PRO 102 -1.280 -11.773 31.324 764 HG2 PRO 102 1HG PRO 102 -2.996 -9.483 30.296 765 HG3 PRO 102 2HG PRO 102 -1.208 -9.543 30.444 766 HD2 PRO 102 1HD PRO 102 -2.475 -10.100 28.097 767 HD3 PRO 102 2HD PRO 102 -1.010 -10.999 28.597 768 H SER 103 H SER 103 -4.389 -13.211 32.322 769 HA SER 103 HA SER 103 -6.428 -13.277 33.236 770 HB2 SER 103 1HB SER 103 -6.047 -10.803 33.286 771 HB3 SER 103 2HB SER 103 -7.091 -10.669 31.858 772 HG SER 103 HG SER 103 -8.172 -10.398 33.924 773 H SER 104 H SER 104 -8.805 -13.283 32.921 774 HA SER 104 HA SER 104 -9.669 -14.317 30.252 775 HB2 SER 104 1HB SER 104 -10.908 -16.103 31.400 776 HB3 SER 104 2HB SER 104 -9.164 -16.217 31.679 777 HG SER 104 HG SER 104 -10.378 -16.500 33.617 778 H GLY 105 H GLY 105 -10.210 -11.936 32.463 779 HA2 GLY 105 1HA GLY 105 -13.088 -11.838 32.713 780 HA3 GLY 105 2HA GLY 105 -11.957 -10.518 33.005 Start of MODEL 6 1 H1 GLY 1 1H GLY 1 -9.600 -9.030 17.222 2 H2 GLY 1 2H GLY 1 -8.883 -8.804 18.675 3 H3 GLY 1 3H GLY 1 -9.455 -10.285 18.267 4 HA2 GLY 1 1HA GLY 1 -7.059 -10.257 18.079 5 HA3 GLY 1 2HA GLY 1 -7.836 -10.503 16.504 6 H SER 2 H SER 2 -5.409 -9.713 16.201 7 HA SER 2 HA SER 2 -5.500 -6.830 15.449 8 HB2 SER 2 1HB SER 2 -4.311 -6.998 17.606 9 HB3 SER 2 2HB SER 2 -3.204 -8.184 16.900 10 HG SER 2 HG SER 2 -2.238 -6.191 16.792 11 H SER 3 H SER 3 -4.349 -6.290 13.683 12 HA SER 3 HA SER 3 -2.658 -8.309 12.258 13 HB2 SER 3 1HB SER 3 -4.560 -6.349 10.912 14 HB3 SER 3 2HB SER 3 -3.449 -7.465 10.100 15 HG SER 3 HG SER 3 -4.629 -9.207 11.025 16 H GLY 4 H GLY 4 -1.660 -6.653 14.148 17 HA2 GLY 4 1HA GLY 4 -0.004 -5.046 14.501 18 HA3 GLY 4 2HA GLY 4 0.088 -4.730 12.758 19 H SER 5 H SER 5 -2.826 -4.701 14.786 20 HA SER 5 HA SER 5 -3.303 -1.816 14.153 21 HB2 SER 5 1HB SER 5 -5.722 -2.493 14.132 22 HB3 SER 5 2HB SER 5 -4.732 -3.124 12.806 23 HG SER 5 HG SER 5 -6.188 -4.657 13.886 24 H SER 6 H SER 6 -3.734 -4.352 16.655 25 HA SER 6 HA SER 6 -4.581 -2.412 18.683 26 HB2 SER 6 1HB SER 6 -3.537 -5.245 19.000 27 HB3 SER 6 2HB SER 6 -4.300 -4.270 20.264 28 HG SER 6 HG SER 6 -6.214 -4.240 19.030 29 H GLY 7 H GLY 7 -1.571 -3.050 17.260 30 HA2 GLY 7 1HA GLY 7 -0.235 -1.057 18.658 31 HA3 GLY 7 2HA GLY 7 0.265 -2.561 19.428 32 HA PRO 8 HA PRO 8 2.518 -1.649 15.355 33 HB2 PRO 8 1HB PRO 8 4.684 -0.181 16.038 34 HB3 PRO 8 2HB PRO 8 3.044 0.534 16.054 35 HG2 PRO 8 1HG PRO 8 4.581 -0.644 18.404 36 HG3 PRO 8 2HG PRO 8 3.815 0.975 18.293 37 HD2 PRO 8 1HD PRO 8 2.543 -1.184 19.415 38 HD3 PRO 8 2HD PRO 8 1.663 0.081 18.505 39 H ILE 9 H ILE 9 4.763 -2.134 14.543 40 HA ILE 9 HA ILE 9 5.971 -4.487 15.896 41 HB ILE 9 HB ILE 9 5.448 -4.648 13.486 42 HG12 ILE 9 1HG1 ILE 9 7.474 -5.638 12.674 43 HG13 ILE 9 2HG1 ILE 9 8.462 -4.797 13.854 44 HG21 ILE 9 1HG2 ILE 9 7.540 -2.446 13.147 45 HG22 ILE 9 2HG2 ILE 9 6.980 -3.488 11.842 46 HG23 ILE 9 3HG2 ILE 9 5.839 -2.425 12.655 47 HD11 ILE 9 1HD1 ILE 9 8.084 -7.199 14.383 48 HD12 ILE 9 2HD1 ILE 9 7.505 -6.137 15.674 49 HD13 ILE 9 3HD1 ILE 9 6.348 -6.872 14.545 50 H SER 10 H SER 10 8.248 -4.569 16.407 51 HA SER 10 HA SER 10 9.416 -2.148 17.429 52 HB2 SER 10 1HB SER 10 10.730 -4.850 16.976 53 HB3 SER 10 2HB SER 10 11.272 -3.566 18.072 54 HG SER 10 HG SER 10 10.106 -5.156 19.204 55 H GLU 11 H GLU 11 9.357 -3.236 14.238 56 HA GLU 11 HA GLU 11 12.065 -2.522 13.444 57 HB2 GLU 11 1HB GLU 11 10.748 -4.382 12.433 58 HB3 GLU 11 2HB GLU 11 9.625 -3.207 11.760 59 HG2 GLU 11 1HG GLU 11 11.164 -3.893 10.041 60 HG3 GLU 11 2HG GLU 11 11.505 -2.215 10.424 61 H ARG 12 H ARG 12 12.064 -0.401 14.310 62 HA ARG 12 HA ARG 12 12.010 1.869 14.254 63 HB2 ARG 12 1HB ARG 12 13.563 1.175 12.465 64 HB3 ARG 12 2HB ARG 12 12.291 1.394 11.267 65 HG2 ARG 12 1HG ARG 12 12.142 3.807 11.887 66 HG3 ARG 12 2HG ARG 12 13.409 3.581 13.097 67 HD2 ARG 12 1HD ARG 12 13.717 3.100 10.102 68 HD3 ARG 12 2HD ARG 12 14.192 4.584 10.943 69 HE ARG 12 HE ARG 12 15.503 2.505 12.292 70 HH11 ARG 12 1HH1 ARG 12 15.629 3.846 9.057 71 HH12 ARG 12 2HH1 ARG 12 17.289 3.368 8.825 72 HH21 ARG 12 1HH2 ARG 12 17.615 1.917 11.926 73 HH22 ARG 12 2HH2 ARG 12 18.378 2.310 10.414 74 H ASN 13 H ASN 13 10.371 1.964 11.171 75 HA ASN 13 HA ASN 13 7.838 2.901 12.403 76 HB2 ASN 13 1HB ASN 13 9.540 4.506 10.445 77 HB3 ASN 13 2HB ASN 13 7.843 4.849 10.764 78 HD21 ASN 13 1HD2 ASN 13 7.170 5.564 12.890 79 HD22 ASN 13 2HD2 ASN 13 8.377 6.301 13.949 80 H GLN 14 H GLN 14 8.642 0.383 10.940 81 HA GLN 14 HA GLN 14 7.713 0.521 8.268 82 HB2 GLN 14 1HB GLN 14 9.092 -1.319 9.537 83 HB3 GLN 14 2HB GLN 14 7.513 -2.015 9.912 84 HG2 GLN 14 1HG GLN 14 8.457 -3.070 7.941 85 HG3 GLN 14 2HG GLN 14 7.028 -2.158 7.462 86 HE21 GLN 14 1HE2 GLN 14 10.645 -1.998 7.557 87 HE22 GLN 14 2HE2 GLN 14 10.753 -0.942 6.155 88 H ASP 15 H ASP 15 5.808 0.505 11.153 89 HA ASP 15 HA ASP 15 3.262 -0.350 10.226 90 HB2 ASP 15 1HB ASP 15 4.286 1.658 12.249 91 HB3 ASP 15 2HB ASP 15 2.581 1.682 11.819 92 H ALA 16 H ALA 16 5.097 2.580 9.383 93 HA ALA 16 HA ALA 16 2.783 3.944 8.236 94 HB1 ALA 16 1HB ALA 16 4.369 5.673 7.678 95 HB2 ALA 16 2HB ALA 16 4.663 5.141 9.341 96 HB3 ALA 16 3HB ALA 16 5.742 4.602 8.031 97 H THR 17 H THR 17 4.538 1.303 7.108 98 HA THR 17 HA THR 17 4.035 2.023 4.253 99 HB THR 17 HB THR 17 5.629 -0.342 5.245 100 HG1 THR 17 1HG THR 17 7.368 0.821 5.130 101 HG21 THR 17 1HG2 THR 17 5.554 1.080 2.530 102 HG22 THR 17 2HG2 THR 17 4.830 -0.504 2.880 103 HG23 THR 17 3HG2 THR 17 6.585 -0.295 2.948 104 H VAL 18 H VAL 18 2.457 1.043 3.153 105 HA VAL 18 HA VAL 18 0.965 -1.210 4.437 106 HB VAL 18 HB VAL 18 -0.962 -0.670 3.149 107 HG11 VAL 18 1HG1 VAL 18 -1.583 1.453 4.145 108 HG12 VAL 18 2HG1 VAL 18 -0.572 0.557 5.296 109 HG13 VAL 18 3HG1 VAL 18 0.112 1.906 4.365 110 HG21 VAL 18 1HG2 VAL 18 0.545 1.685 1.992 111 HG22 VAL 18 2HG2 VAL 18 0.065 0.236 1.074 112 HG23 VAL 18 3HG2 VAL 18 -1.169 1.310 1.739 113 H TYR 19 H TYR 19 0.403 -2.972 3.243 114 HA TYR 19 HA TYR 19 1.994 -3.629 0.803 115 HB2 TYR 19 1HB TYR 19 2.318 -5.244 2.532 116 HB3 TYR 19 2HB TYR 19 0.617 -5.247 2.967 117 HD1 TYR 19 1HD TYR 19 -1.022 -6.571 1.780 118 HD2 TYR 19 2HD TYR 19 3.082 -6.442 0.453 119 HE1 TYR 19 1HE TYR 19 -1.425 -8.554 0.325 120 HE2 TYR 19 2HE TYR 19 2.685 -8.447 -0.965 121 HH TYR 19 HH TYR 19 1.177 -10.025 -1.653 122 H VAL 20 H VAL 20 0.955 -4.133 -1.066 123 HA VAL 20 HA VAL 20 -2.022 -4.273 -1.145 124 HB VAL 20 HB VAL 20 -0.356 -2.863 -3.265 125 HG11 VAL 20 1HG1 VAL 20 -2.447 -3.950 -4.057 126 HG12 VAL 20 2HG1 VAL 20 -3.365 -3.111 -2.804 127 HG13 VAL 20 3HG1 VAL 20 -2.589 -2.182 -4.101 128 HG21 VAL 20 1HG2 VAL 20 -2.121 -1.610 -1.123 129 HG22 VAL 20 2HG2 VAL 20 -0.359 -1.432 -1.272 130 HG23 VAL 20 3HG2 VAL 20 -1.409 -0.770 -2.521 131 H GLY 21 H GLY 21 -2.434 -6.328 -1.704 132 HA2 GLY 21 1HA GLY 21 -0.670 -7.766 -3.658 133 HA3 GLY 21 2HA GLY 21 -1.710 -8.526 -2.462 134 H GLY 22 H GLY 22 -1.543 -8.731 -5.462 135 HA2 GLY 22 1HA GLY 22 -3.256 -9.705 -6.785 136 HA3 GLY 22 2HA GLY 22 -4.495 -8.855 -5.859 137 H LEU 23 H LEU 23 -1.584 -7.518 -7.447 138 HA LEU 23 HA LEU 23 -3.101 -5.273 -8.527 139 HB2 LEU 23 1HB LEU 23 -0.175 -6.091 -8.773 140 HB3 LEU 23 2HB LEU 23 -0.845 -4.557 -9.319 141 HG LEU 23 HG LEU 23 -0.681 -5.522 -6.428 142 HD11 LEU 23 1HD1 LEU 23 0.773 -3.298 -7.907 143 HD12 LEU 23 2HD1 LEU 23 1.463 -4.869 -7.453 144 HD13 LEU 23 3HD1 LEU 23 0.952 -3.727 -6.194 145 HD21 LEU 23 1HD2 LEU 23 -2.607 -4.154 -6.497 146 HD22 LEU 23 2HD2 LEU 23 -1.890 -3.013 -7.644 147 HD23 LEU 23 3HD2 LEU 23 -1.305 -3.075 -5.975 148 H ASP 24 H ASP 24 -3.261 -4.693 -10.688 149 HA ASP 24 HA ASP 24 -3.305 -6.937 -12.591 150 HB2 ASP 24 1HB ASP 24 -5.294 -5.505 -12.388 151 HB3 ASP 24 2HB ASP 24 -4.332 -4.075 -12.759 152 H GLU 25 H GLU 25 -2.350 -6.688 -14.783 153 HA GLU 25 HA GLU 25 0.380 -5.930 -14.715 154 HB2 GLU 25 1HB GLU 25 0.413 -6.465 -17.066 155 HB3 GLU 25 2HB GLU 25 -0.525 -7.660 -16.174 156 HG2 GLU 25 1HG GLU 25 -2.635 -6.569 -16.940 157 HG3 GLU 25 2HG GLU 25 -1.689 -5.378 -17.835 158 H LYS 26 H LYS 26 -2.385 -3.890 -15.415 159 HA LYS 26 HA LYS 26 -0.794 -1.766 -16.685 160 HB2 LYS 26 1HB LYS 26 -3.658 -1.867 -15.671 161 HB3 LYS 26 2HB LYS 26 -2.942 -0.491 -16.517 162 HG2 LYS 26 1HG LYS 26 -2.450 -1.914 -18.478 163 HG3 LYS 26 2HG LYS 26 -3.187 -3.304 -17.687 164 HD2 LYS 26 1HD LYS 26 -4.598 -0.717 -18.447 165 HD3 LYS 26 2HD LYS 26 -4.689 -2.236 -19.332 166 HE2 LYS 26 1HE LYS 26 -5.727 -1.728 -16.512 167 HE3 LYS 26 2HE LYS 26 -6.699 -1.851 -17.981 168 HZ1 LYS 26 1HZ LYS 26 -5.150 -4.025 -16.682 169 HZ2 LYS 26 2HZ LYS 26 -5.805 -4.180 -18.188 170 HZ3 LYS 26 3HZ LYS 26 -6.763 -3.957 -16.885 171 H VAL 27 H VAL 27 -1.140 -2.702 -13.429 172 HA VAL 27 HA VAL 27 -1.002 -0.051 -12.215 173 HB VAL 27 HB VAL 27 -0.365 -2.790 -11.055 174 HG11 VAL 27 1HG1 VAL 27 -0.631 -1.697 -8.866 175 HG12 VAL 27 2HG1 VAL 27 0.755 -1.062 -9.726 176 HG13 VAL 27 3HG1 VAL 27 -0.740 -0.115 -9.645 177 HG21 VAL 27 1HG2 VAL 27 -2.584 -2.537 -9.934 178 HG22 VAL 27 2HG2 VAL 27 -2.859 -1.036 -10.830 179 HG23 VAL 27 3HG2 VAL 27 -2.740 -2.583 -11.691 180 H SER 28 H SER 28 0.731 1.146 -11.654 181 HA SER 28 HA SER 28 3.478 -0.019 -11.763 182 HB2 SER 28 1HB SER 28 2.685 2.664 -12.968 183 HB3 SER 28 2HB SER 28 4.336 2.041 -12.800 184 HG SER 28 HG SER 28 2.241 0.911 -14.366 185 H GLU 29 H GLU 29 5.077 1.306 -10.506 186 HA GLU 29 HA GLU 29 4.129 1.925 -7.934 187 HB2 GLU 29 1HB GLU 29 6.694 2.460 -9.441 188 HB3 GLU 29 2HB GLU 29 6.472 3.254 -7.893 189 HG2 GLU 29 1HG GLU 29 6.665 1.351 -6.676 190 HG3 GLU 29 2HG GLU 29 5.787 0.385 -7.836 191 HA PRO 30 HA PRO 30 4.049 6.655 -8.965 192 HB2 PRO 30 1HB PRO 30 3.278 6.465 -11.881 193 HB3 PRO 30 2HB PRO 30 4.157 7.774 -11.027 194 HG2 PRO 30 1HG PRO 30 5.538 5.997 -12.516 195 HG3 PRO 30 2HG PRO 30 6.148 6.431 -10.882 196 HD2 PRO 30 1HD PRO 30 4.515 4.010 -11.696 197 HD3 PRO 30 2HD PRO 30 6.004 4.081 -10.708 198 H LEU 31 H LEU 31 1.900 4.209 -10.417 199 HA LEU 31 HA LEU 31 -0.550 5.752 -10.060 200 HB2 LEU 31 1HB LEU 31 -0.369 3.801 -11.652 201 HB3 LEU 31 2HB LEU 31 -0.164 2.734 -10.263 202 HG LEU 31 HG LEU 31 -2.442 3.520 -9.397 203 HD11 LEU 31 1HD1 LEU 31 -3.947 4.451 -11.128 204 HD12 LEU 31 2HD1 LEU 31 -2.556 4.614 -12.231 205 HD13 LEU 31 3HD1 LEU 31 -2.637 5.573 -10.728 206 HD21 LEU 31 1HD2 LEU 31 -2.152 1.361 -10.443 207 HD22 LEU 31 2HD2 LEU 31 -2.201 2.094 -12.069 208 HD23 LEU 31 3HD2 LEU 31 -3.650 2.083 -11.041 209 H LEU 32 H LEU 32 1.089 3.107 -8.254 210 HA LEU 32 HA LEU 32 -0.748 3.134 -6.060 211 HB2 LEU 32 1HB LEU 32 2.218 2.381 -6.002 212 HB3 LEU 32 2HB LEU 32 1.000 1.971 -4.798 213 HG LEU 32 HG LEU 32 1.259 0.886 -7.595 214 HD11 LEU 32 1HD1 LEU 32 1.137 -0.410 -4.838 215 HD12 LEU 32 2HD1 LEU 32 2.627 -0.085 -5.759 216 HD13 LEU 32 3HD1 LEU 32 1.427 -1.236 -6.388 217 HD21 LEU 32 1HD2 LEU 32 -1.043 0.617 -5.612 218 HD22 LEU 32 2HD2 LEU 32 -0.780 -0.512 -6.950 219 HD23 LEU 32 3HD2 LEU 32 -1.120 1.195 -7.298 220 H TRP 33 H TRP 33 1.922 5.257 -6.763 221 HA TRP 33 HA TRP 33 1.906 6.541 -4.155 222 HB2 TRP 33 1HB TRP 33 3.744 6.542 -5.931 223 HB3 TRP 33 2HB TRP 33 2.824 7.751 -6.792 224 HD1 TRP 33 HD TRP 33 2.067 9.670 -4.326 225 HE1 TRP 33 1HE TRP 33 3.918 11.012 -3.141 226 HE3 TRP 33 3HE TRP 33 6.070 6.895 -5.768 227 HZ2 TRP 33 2HZ TRP 33 6.806 10.921 -2.919 228 HZ3 TRP 33 3HZ TRP 33 8.395 7.543 -5.087 229 HH2 TRP 33 HH TRP 33 8.759 9.555 -3.669 230 H GLU 34 H GLU 34 0.797 7.821 -7.311 231 HA GLU 34 HA GLU 34 -0.579 10.018 -6.147 232 HB2 GLU 34 1HB GLU 34 -0.874 8.744 -8.903 233 HB3 GLU 34 2HB GLU 34 -1.596 10.287 -8.420 234 HG2 GLU 34 1HG GLU 34 0.705 11.076 -7.764 235 HG3 GLU 34 2HG GLU 34 1.380 9.645 -8.531 236 H LEU 35 H LEU 35 -1.858 6.812 -6.885 237 HA LEU 35 HA LEU 35 -4.642 7.504 -6.519 238 HB2 LEU 35 1HB LEU 35 -3.559 5.362 -7.597 239 HB3 LEU 35 2HB LEU 35 -3.422 4.796 -5.931 240 HG LEU 35 HG LEU 35 -5.963 5.236 -5.776 241 HD11 LEU 35 1HD1 LEU 35 -5.669 5.156 -8.801 242 HD12 LEU 35 2HD1 LEU 35 -6.218 6.553 -7.848 243 HD13 LEU 35 3HD1 LEU 35 -7.195 5.080 -7.895 244 HD21 LEU 35 1HD2 LEU 35 -6.474 3.040 -6.752 245 HD22 LEU 35 2HD2 LEU 35 -4.984 3.003 -5.805 246 HD23 LEU 35 3HD2 LEU 35 -4.898 3.042 -7.585 247 H PHE 36 H PHE 36 -2.039 6.628 -4.264 248 HA PHE 36 HA PHE 36 -3.896 6.232 -2.010 249 HB2 PHE 36 1HB PHE 36 -0.976 5.742 -2.512 250 HB3 PHE 36 2HB PHE 36 -1.568 5.781 -0.900 251 HD1 PHE 36 1HD PHE 36 -2.263 4.057 -4.179 252 HD2 PHE 36 2HD PHE 36 -2.453 3.842 0.110 253 HE1 PHE 36 1HE PHE 36 -3.021 1.700 -4.334 254 HE2 PHE 36 2HE PHE 36 -3.247 1.497 -0.039 255 HZ PHE 36 HZ PHE 36 -3.557 0.430 -2.264 256 H LEU 37 H LEU 37 -2.121 8.883 -3.299 257 HA LEU 37 HA LEU 37 -1.708 10.503 -1.024 258 HB2 LEU 37 1HB LEU 37 -2.595 11.128 -3.863 259 HB3 LEU 37 2HB LEU 37 -2.268 12.392 -2.686 260 HG LEU 37 HG LEU 37 -0.224 10.384 -3.676 261 HD11 LEU 37 1HD1 LEU 37 0.781 12.303 -4.792 262 HD12 LEU 37 2HD1 LEU 37 -0.474 13.380 -4.137 263 HD13 LEU 37 3HD1 LEU 37 -0.903 12.134 -5.323 264 HD21 LEU 37 1HD2 LEU 37 0.036 12.738 -1.764 265 HD22 LEU 37 2HD2 LEU 37 1.404 11.844 -2.475 266 HD23 LEU 37 3HD2 LEU 37 0.283 11.024 -1.382 267 H GLN 38 H GLN 38 -4.703 9.429 -2.293 268 HA GLN 38 HA GLN 38 -6.498 11.384 -1.167 269 HB2 GLN 38 1HB GLN 38 -7.006 8.421 -1.696 270 HB3 GLN 38 2HB GLN 38 -8.224 9.695 -1.517 271 HG2 GLN 38 1HG GLN 38 -7.281 10.824 -3.559 272 HG3 GLN 38 2HG GLN 38 -6.143 9.470 -3.707 273 HE21 GLN 38 1HE2 GLN 38 -8.537 7.241 -5.114 274 HE22 GLN 38 2HE2 GLN 38 -6.917 7.421 -4.420 275 H ALA 39 H ALA 39 -4.879 8.528 0.197 276 HA ALA 39 HA ALA 39 -6.462 8.512 2.652 277 HB1 ALA 39 1HB ALA 39 -5.355 6.478 1.670 278 HB2 ALA 39 2HB ALA 39 -3.788 7.205 2.019 279 HB3 ALA 39 3HB ALA 39 -4.881 6.807 3.355 280 H GLY 40 H GLY 40 -3.158 9.539 1.751 281 HA2 GLY 40 1HA GLY 40 -3.040 11.835 3.435 282 HA3 GLY 40 2HA GLY 40 -2.260 10.472 4.247 283 HA PRO 41 HA PRO 41 0.748 12.611 1.325 284 HB2 PRO 41 1HB PRO 41 2.765 13.103 3.129 285 HB3 PRO 41 2HB PRO 41 1.378 14.198 2.852 286 HG2 PRO 41 1HG PRO 41 1.667 12.084 5.008 287 HG3 PRO 41 2HG PRO 41 1.188 13.798 5.206 288 HD2 PRO 41 1HD PRO 41 -0.634 11.790 5.068 289 HD3 PRO 41 2HD PRO 41 -0.972 13.346 4.255 290 H VAL 42 H VAL 42 1.488 11.044 0.084 291 HA VAL 42 HA VAL 42 2.862 8.647 1.129 292 HB VAL 42 HB VAL 42 2.166 9.429 -1.717 293 HG11 VAL 42 1HG1 VAL 42 3.339 6.853 -0.576 294 HG12 VAL 42 2HG1 VAL 42 2.701 7.035 -2.217 295 HG13 VAL 42 3HG1 VAL 42 4.122 7.949 -1.736 296 HG21 VAL 42 1HG2 VAL 42 0.163 8.876 -0.355 297 HG22 VAL 42 2HG2 VAL 42 0.488 7.646 -1.576 298 HG23 VAL 42 3HG2 VAL 42 0.923 7.343 0.120 299 H VAL 43 H VAL 43 4.929 8.319 1.085 300 HA VAL 43 HA VAL 43 6.785 10.544 0.375 301 HB VAL 43 HB VAL 43 7.263 8.201 2.256 302 HG11 VAL 43 1HG1 VAL 43 8.515 10.977 2.096 303 HG12 VAL 43 2HG1 VAL 43 8.872 9.753 3.329 304 HG13 VAL 43 3HG1 VAL 43 9.298 9.439 1.640 305 HG21 VAL 43 1HG2 VAL 43 6.126 10.932 2.980 306 HG22 VAL 43 2HG2 VAL 43 5.298 9.364 3.110 307 HG23 VAL 43 3HG2 VAL 43 6.696 9.689 4.125 308 H ASN 44 H ASN 44 6.222 7.087 -0.101 309 HA ASN 44 HA ASN 44 8.121 6.863 -2.300 310 HB2 ASN 44 1HB ASN 44 9.698 6.741 -0.472 311 HB3 ASN 44 2HB ASN 44 8.669 5.675 0.448 312 HD21 ASN 44 1HD2 ASN 44 9.709 3.761 0.629 313 HD22 ASN 44 2HD2 ASN 44 10.451 2.912 -0.737 314 H THR 45 H THR 45 8.076 4.652 -3.235 315 HA THR 45 HA THR 45 5.850 2.851 -2.478 316 HB THR 45 HB THR 45 5.414 2.549 -5.013 317 HG1 THR 45 1HG THR 45 7.120 3.967 -5.664 318 HG21 THR 45 1HG2 THR 45 3.649 4.105 -5.069 319 HG22 THR 45 2HG2 THR 45 4.380 5.119 -3.793 320 HG23 THR 45 3HG2 THR 45 3.765 3.488 -3.425 321 H HIS 46 H HIS 46 6.109 0.671 -3.264 322 HA HIS 46 HA HIS 46 8.637 0.046 -4.692 323 HB2 HIS 46 1HB HIS 46 8.881 -0.079 -2.062 324 HB3 HIS 46 2HB HIS 46 7.878 -1.501 -2.198 325 HD2 HIS 46 2HD HIS 46 11.435 -0.363 -2.653 326 HE1 HIS 46 1HE HIS 46 11.328 -4.299 -4.296 327 HE2 HIS 46 2HE HIS 46 12.852 -2.392 -3.566 328 H MET 47 H MET 47 8.259 -1.445 -6.271 329 HA MET 47 HA MET 47 6.185 -3.553 -5.781 330 HB2 MET 47 1HB MET 47 6.476 -1.911 -8.304 331 HB3 MET 47 2HB MET 47 5.719 -3.504 -8.263 332 HG2 MET 47 1HG MET 47 4.047 -2.787 -6.704 333 HG3 MET 47 2HG MET 47 4.826 -1.224 -6.471 334 HE1 MET 47 1HE MET 47 4.176 -2.998 -10.041 335 HE2 MET 47 2HE MET 47 3.004 -3.585 -8.837 336 HE3 MET 47 3HE MET 47 2.463 -2.562 -10.194 337 HA PRO 48 HA PRO 48 10.095 -5.713 -6.557 338 HB2 PRO 48 1HB PRO 48 8.219 -7.986 -5.858 339 HB3 PRO 48 2HB PRO 48 9.942 -7.764 -5.399 340 HG2 PRO 48 1HG PRO 48 8.030 -7.140 -3.617 341 HG3 PRO 48 2HG PRO 48 9.362 -5.975 -3.885 342 HD2 PRO 48 1HD PRO 48 6.570 -5.939 -5.081 343 HD3 PRO 48 2HD PRO 48 7.471 -4.598 -4.305 344 H LYS 49 H LYS 49 10.903 -6.775 -8.330 345 HA LYS 49 HA LYS 49 9.018 -7.255 -10.602 346 HB2 LYS 49 1HB LYS 49 11.920 -6.384 -10.763 347 HB3 LYS 49 2HB LYS 49 10.785 -6.542 -12.094 348 HG2 LYS 49 1HG LYS 49 10.734 -4.460 -9.884 349 HG3 LYS 49 2HG LYS 49 11.145 -4.221 -11.582 350 HD2 LYS 49 1HD LYS 49 8.763 -4.939 -12.160 351 HD3 LYS 49 2HD LYS 49 8.400 -4.858 -10.432 352 HE2 LYS 49 1HE LYS 49 9.277 -2.575 -12.255 353 HE3 LYS 49 2HE LYS 49 7.696 -2.806 -11.507 354 HZ1 LYS 49 1HZ LYS 49 10.217 -2.059 -10.153 355 HZ2 LYS 49 2HZ LYS 49 8.944 -2.645 -9.313 356 HZ3 LYS 49 3HZ LYS 49 8.794 -1.243 -10.139 357 H ASP 50 H ASP 50 9.274 -8.896 -11.980 358 HA ASP 50 HA ASP 50 10.560 -11.358 -11.181 359 HB2 ASP 50 1HB ASP 50 8.477 -11.246 -12.492 360 HB3 ASP 50 2HB ASP 50 9.327 -10.429 -13.806 361 H ARG 51 H ARG 51 12.479 -12.271 -11.871 362 HA ARG 51 HA ARG 51 14.500 -10.406 -12.851 363 HB2 ARG 51 1HB ARG 51 16.118 -11.995 -12.108 364 HB3 ARG 51 2HB ARG 51 14.871 -11.815 -10.877 365 HG2 ARG 51 1HG ARG 51 13.820 -13.960 -11.661 366 HG3 ARG 51 2HG ARG 51 15.123 -14.131 -12.854 367 HD2 ARG 51 1HD ARG 51 16.798 -14.158 -11.042 368 HD3 ARG 51 2HD ARG 51 15.527 -13.991 -9.835 369 HE ARG 51 HE ARG 51 16.224 -16.386 -11.419 370 HH11 ARG 51 1HH1 ARG 51 13.845 -15.045 -9.214 371 HH12 ARG 51 2HH1 ARG 51 13.198 -16.616 -8.826 372 HH21 ARG 51 1HH2 ARG 51 15.351 -18.343 -10.871 373 HH22 ARG 51 2HH2 ARG 51 14.033 -18.427 -9.740 374 H VAL 52 H VAL 52 12.460 -11.996 -14.753 375 HA VAL 52 HA VAL 52 14.491 -12.585 -16.878 376 HB VAL 52 HB VAL 52 11.976 -14.216 -16.343 377 HG11 VAL 52 1HG1 VAL 52 12.669 -14.244 -18.704 378 HG12 VAL 52 2HG1 VAL 52 14.331 -14.665 -18.227 379 HG13 VAL 52 3HG1 VAL 52 12.995 -15.803 -17.952 380 HG21 VAL 52 1HG2 VAL 52 13.541 -16.052 -15.684 381 HG22 VAL 52 2HG2 VAL 52 14.878 -14.880 -15.689 382 HG23 VAL 52 3HG2 VAL 52 13.526 -14.716 -14.540 383 H THR 53 H THR 53 11.120 -11.631 -16.093 384 HA THR 53 HA THR 53 10.780 -10.604 -18.866 385 HB THR 53 HB THR 53 8.414 -10.605 -18.477 386 HG1 THR 53 1HG THR 53 7.616 -11.408 -16.470 387 HG21 THR 53 1HG2 THR 53 7.926 -12.956 -18.199 388 HG22 THR 53 2HG2 THR 53 9.474 -13.244 -17.379 389 HG23 THR 53 3HG2 THR 53 9.443 -12.803 -19.102 390 H GLY 54 H GLY 54 11.323 -9.594 -15.638 391 HA2 GLY 54 1HA GLY 54 11.709 -7.531 -14.763 392 HA3 GLY 54 2HA GLY 54 11.505 -6.867 -16.383 393 H GLN 55 H GLN 55 8.705 -8.565 -15.599 394 HA GLN 55 HA GLN 55 7.149 -6.113 -15.126 395 HB2 GLN 55 1HB GLN 55 6.178 -8.990 -15.267 396 HB3 GLN 55 2HB GLN 55 5.214 -7.523 -15.418 397 HG2 GLN 55 1HG GLN 55 7.229 -8.637 -17.405 398 HG3 GLN 55 2HG GLN 55 5.497 -8.469 -17.615 399 HE21 GLN 55 1HE2 GLN 55 8.493 -7.019 -18.327 400 HE22 GLN 55 2HE2 GLN 55 7.864 -5.426 -18.750 401 H HIS 56 H HIS 56 5.457 -6.084 -13.328 402 HA HIS 56 HA HIS 56 6.789 -6.628 -10.810 403 HB2 HIS 56 1HB HIS 56 5.004 -5.567 -9.727 404 HB3 HIS 56 2HB HIS 56 5.347 -4.653 -11.187 405 HD2 HIS 56 2HD HIS 56 3.242 -4.041 -12.610 406 HE1 HIS 56 1HE HIS 56 0.444 -6.789 -10.946 407 HE2 HIS 56 2HE HIS 56 0.715 -4.805 -12.494 408 H GLN 57 H GLN 57 6.099 -7.910 -9.072 409 HA GLN 57 HA GLN 57 5.343 -10.582 -9.964 410 HB2 GLN 57 1HB GLN 57 6.358 -9.509 -7.312 411 HB3 GLN 57 2HB GLN 57 6.049 -11.220 -7.645 412 HG2 GLN 57 1HG GLN 57 7.667 -11.172 -9.521 413 HG3 GLN 57 2HG GLN 57 8.027 -9.481 -9.175 414 HE21 GLN 57 1HE2 GLN 57 8.190 -12.798 -7.755 415 HE22 GLN 57 2HE2 GLN 57 9.507 -12.392 -6.665 416 H GLY 58 H GLY 58 3.166 -8.410 -9.634 417 HA2 GLY 58 1HA GLY 58 0.877 -8.685 -9.373 418 HA3 GLY 58 2HA GLY 58 1.127 -10.196 -8.505 419 H TYR 59 H TYR 59 3.087 -7.898 -7.026 420 HA TYR 59 HA TYR 59 1.011 -6.699 -5.325 421 HB2 TYR 59 1HB TYR 59 1.933 -7.489 -3.261 422 HB3 TYR 59 2HB TYR 59 1.483 -8.858 -4.252 423 HD1 TYR 59 1HD TYR 59 4.210 -7.149 -2.523 424 HD2 TYR 59 2HD TYR 59 3.263 -10.233 -5.391 425 HE1 TYR 59 1HE TYR 59 6.454 -8.164 -2.181 426 HE2 TYR 59 2HE TYR 59 5.538 -11.201 -5.101 427 HH TYR 59 HH TYR 59 7.915 -9.826 -2.795 428 H GLY 60 H GLY 60 1.821 -5.104 -3.849 429 HA2 GLY 60 1HA GLY 60 4.444 -3.851 -4.383 430 HA3 GLY 60 2HA GLY 60 2.995 -2.958 -4.854 431 H PHE 61 H PHE 61 4.373 -1.608 -3.250 432 HA PHE 61 HA PHE 61 2.977 -1.631 -0.643 433 HB2 PHE 61 1HB PHE 61 5.974 -1.256 -1.006 434 HB3 PHE 61 2HB PHE 61 5.103 -1.110 0.500 435 HD1 PHE 61 1HD PHE 61 6.425 -3.484 -2.010 436 HD2 PHE 61 2HD PHE 61 4.397 -3.067 1.772 437 HE1 PHE 61 1HE PHE 61 6.895 -5.865 -1.496 438 HE2 PHE 61 2HE PHE 61 4.886 -5.450 2.294 439 HZ PHE 61 HZ PHE 61 6.125 -6.854 0.656 440 H VAL 62 H VAL 62 2.829 0.385 0.376 441 HA VAL 62 HA VAL 62 3.781 2.805 -1.100 442 HB VAL 62 HB VAL 62 0.999 2.618 0.107 443 HG11 VAL 62 1HG1 VAL 62 2.326 4.703 -1.654 444 HG12 VAL 62 2HG1 VAL 62 0.646 4.725 -1.087 445 HG13 VAL 62 3HG1 VAL 62 1.950 4.880 0.081 446 HG21 VAL 62 1HG2 VAL 62 0.977 1.180 -1.850 447 HG22 VAL 62 2HG2 VAL 62 0.166 2.695 -2.232 448 HG23 VAL 62 3HG2 VAL 62 1.828 2.423 -2.796 449 H GLU 63 H GLU 63 4.761 4.249 0.191 450 HA GLU 63 HA GLU 63 4.774 3.747 3.139 451 HB2 GLU 63 1HB GLU 63 6.865 3.460 1.807 452 HB3 GLU 63 2HB GLU 63 6.770 5.182 1.383 453 HG2 GLU 63 1HG GLU 63 6.946 5.811 3.744 454 HG3 GLU 63 2HG GLU 63 6.993 4.109 4.219 455 H PHE 64 H PHE 64 3.683 5.140 4.350 456 HA PHE 64 HA PHE 64 3.036 7.862 3.361 457 HB2 PHE 64 1HB PHE 64 1.922 6.126 5.590 458 HB3 PHE 64 2HB PHE 64 1.510 7.819 5.384 459 HD1 PHE 64 1HD PHE 64 0.278 8.645 3.457 460 HD2 PHE 64 2HD PHE 64 1.070 4.438 3.959 461 HE1 PHE 64 1HE PHE 64 -1.460 8.109 1.759 462 HE2 PHE 64 2HE PHE 64 -0.679 3.909 2.268 463 HZ PHE 64 HZ PHE 64 -1.965 5.767 1.197 464 H LEU 65 H LEU 65 3.161 9.667 4.800 465 HA LEU 65 HA LEU 65 5.669 9.973 6.096 466 HB2 LEU 65 1HB LEU 65 4.064 11.743 5.096 467 HB3 LEU 65 2HB LEU 65 3.176 11.614 6.621 468 HG LEU 65 HG LEU 65 5.384 12.205 7.797 469 HD11 LEU 65 1HD1 LEU 65 7.019 13.469 6.425 470 HD12 LEU 65 2HD1 LEU 65 6.122 13.038 4.953 471 HD13 LEU 65 3HD1 LEU 65 6.936 11.781 5.911 472 HD21 LEU 65 1HD2 LEU 65 3.529 13.809 7.517 473 HD22 LEU 65 2HD2 LEU 65 4.131 14.246 5.903 474 HD23 LEU 65 3HD2 LEU 65 5.093 14.621 7.352 475 H SER 66 H SER 66 2.511 9.052 7.411 476 HA SER 66 HA SER 66 3.756 8.364 10.038 477 HB2 SER 66 1HB SER 66 1.139 9.881 9.850 478 HB3 SER 66 2HB SER 66 2.067 9.466 11.293 479 HG SER 66 HG SER 66 2.328 11.666 10.683 480 H GLU 67 H GLU 67 2.599 7.006 11.341 481 HA GLU 67 HA GLU 67 1.645 4.702 10.004 482 HB2 GLU 67 1HB GLU 67 1.465 5.576 12.917 483 HB3 GLU 67 2HB GLU 67 1.163 3.960 12.304 484 HG2 GLU 67 1HG GLU 67 3.315 3.783 13.101 485 HG3 GLU 67 2HG GLU 67 3.504 3.936 11.355 486 H GLU 68 H GLU 68 -0.197 7.306 11.630 487 HA GLU 68 HA GLU 68 -2.750 5.991 11.461 488 HB2 GLU 68 1HB GLU 68 -3.695 8.154 12.015 489 HB3 GLU 68 2HB GLU 68 -2.315 7.779 13.045 490 HG2 GLU 68 1HG GLU 68 -0.882 9.284 11.648 491 HG3 GLU 68 2HG GLU 68 -2.285 9.680 10.655 492 H ASP 69 H ASP 69 -0.909 7.764 9.061 493 HA ASP 69 HA ASP 69 -3.159 8.132 7.206 494 HB2 ASP 69 1HB ASP 69 -0.146 8.387 6.899 495 HB3 ASP 69 2HB ASP 69 -1.281 8.720 5.616 496 H ALA 70 H ALA 70 -0.633 5.692 7.809 497 HA ALA 70 HA ALA 70 -1.242 4.087 5.468 498 HB1 ALA 70 1HB ALA 70 0.241 3.497 8.083 499 HB2 ALA 70 2HB ALA 70 0.201 2.424 6.683 500 HB3 ALA 70 3HB ALA 70 0.957 4.023 6.550 501 H ASP 71 H ASP 71 -2.135 3.891 8.960 502 HA ASP 71 HA ASP 71 -3.863 1.653 8.855 503 HB2 ASP 71 1HB ASP 71 -4.009 4.195 10.524 504 HB3 ASP 71 2HB ASP 71 -5.036 2.796 10.789 505 H TYR 72 H TYR 72 -4.542 5.022 7.917 506 HA TYR 72 HA TYR 72 -7.383 4.542 7.437 507 HB2 TYR 72 1HB TYR 72 -6.408 6.744 8.106 508 HB3 TYR 72 2HB TYR 72 -5.597 6.823 6.537 509 HD1 TYR 72 1HD TYR 72 -6.703 7.905 4.778 510 HD2 TYR 72 2HD TYR 72 -9.034 6.339 8.042 511 HE1 TYR 72 1HE TYR 72 -8.758 8.887 3.767 512 HE2 TYR 72 2HE TYR 72 -11.098 7.315 7.032 513 HH TYR 72 HH TYR 72 -11.024 9.185 3.975 514 H ALA 73 H ALA 73 -4.444 4.566 5.342 515 HA ALA 73 HA ALA 73 -5.861 4.436 2.848 516 HB1 ALA 73 1HB ALA 73 -3.459 5.015 3.143 517 HB2 ALA 73 2HB ALA 73 -3.119 3.327 3.571 518 HB3 ALA 73 3HB ALA 73 -3.733 3.734 1.949 519 H ILE 74 H ILE 74 -4.845 1.923 5.145 520 HA ILE 74 HA ILE 74 -5.706 -0.369 3.658 521 HB ILE 74 HB ILE 74 -5.476 0.118 6.655 522 HG12 ILE 74 1HG1 ILE 74 -3.497 -1.337 4.856 523 HG13 ILE 74 2HG1 ILE 74 -3.392 0.399 5.116 524 HG21 ILE 74 1HG2 ILE 74 -5.265 -2.400 6.813 525 HG22 ILE 74 2HG2 ILE 74 -6.861 -1.866 6.304 526 HG23 ILE 74 3HG2 ILE 74 -5.723 -2.496 5.101 527 HD11 ILE 74 1HD1 ILE 74 -3.237 -1.654 7.344 528 HD12 ILE 74 2HD1 ILE 74 -1.888 -0.795 6.584 529 HD13 ILE 74 3HD1 ILE 74 -3.093 0.115 7.501 530 H LYS 75 H LYS 75 -7.508 1.901 5.711 531 HA LYS 75 HA LYS 75 -9.970 0.371 5.767 532 HB2 LYS 75 1HB LYS 75 -9.420 1.968 7.501 533 HB3 LYS 75 2HB LYS 75 -9.357 3.298 6.345 534 HG2 LYS 75 1HG LYS 75 -11.718 3.162 5.904 535 HG3 LYS 75 2HG LYS 75 -11.856 1.686 6.885 536 HD2 LYS 75 1HD LYS 75 -11.211 2.987 8.911 537 HD3 LYS 75 2HD LYS 75 -10.977 4.426 7.910 538 HE2 LYS 75 1HE LYS 75 -13.093 4.660 8.989 539 HE3 LYS 75 2HE LYS 75 -13.390 4.374 7.273 540 HZ1 LYS 75 1HZ LYS 75 -13.591 2.308 9.409 541 HZ2 LYS 75 2HZ LYS 75 -13.905 2.050 7.823 542 HZ3 LYS 75 3HZ LYS 75 -14.858 3.044 8.695 543 H ILE 76 H ILE 76 -8.749 2.892 3.531 544 HA ILE 76 HA ILE 76 -11.359 2.883 2.142 545 HB ILE 76 HB ILE 76 -10.552 4.852 0.988 546 HG12 ILE 76 1HG1 ILE 76 -8.124 4.968 2.782 547 HG13 ILE 76 2HG1 ILE 76 -8.042 4.181 1.216 548 HG21 ILE 76 1HG2 ILE 76 -11.778 4.979 3.166 549 HG22 ILE 76 2HG2 ILE 76 -10.219 5.063 4.017 550 HG23 ILE 76 3HG2 ILE 76 -10.702 6.358 2.908 551 HD11 ILE 76 1HD1 ILE 76 -7.351 6.424 0.905 552 HD12 ILE 76 2HD1 ILE 76 -8.951 6.287 0.181 553 HD13 ILE 76 3HD1 ILE 76 -8.759 7.066 1.780 554 H MET 77 H MET 77 -8.261 1.496 1.490 555 HA MET 77 HA MET 77 -8.924 1.215 -1.418 556 HB2 MET 77 1HB MET 77 -6.364 1.035 0.131 557 HB3 MET 77 2HB MET 77 -6.463 0.633 -1.577 558 HG2 MET 77 1HG MET 77 -7.422 3.317 -0.573 559 HG3 MET 77 2HG MET 77 -5.748 3.036 -0.958 560 HE1 MET 77 1HE MET 77 -6.932 5.210 -3.867 561 HE2 MET 77 2HE MET 77 -6.645 5.248 -2.121 562 HE3 MET 77 3HE MET 77 -5.382 4.626 -3.222 563 H ASP 78 H ASP 78 -9.351 -0.731 1.236 564 HA ASP 78 HA ASP 78 -8.223 -3.204 0.132 565 HB2 ASP 78 1HB ASP 78 -8.125 -2.770 2.516 566 HB3 ASP 78 2HB ASP 78 -9.890 -2.730 2.614 567 H MET 79 H MET 79 -9.186 -4.933 -0.736 568 HA MET 79 HA MET 79 -10.530 -6.112 -2.027 569 HB2 MET 79 1HB MET 79 -12.623 -5.384 0.018 570 HB3 MET 79 2HB MET 79 -12.835 -6.635 -1.204 571 HG2 MET 79 1HG MET 79 -10.503 -6.720 0.738 572 HG3 MET 79 2HG MET 79 -12.097 -7.308 1.154 573 HE1 MET 79 1HE MET 79 -9.860 -8.049 -2.359 574 HE2 MET 79 2HE MET 79 -8.896 -7.800 -0.881 575 HE3 MET 79 3HE MET 79 -9.061 -9.423 -1.586 576 H ILE 80 H ILE 80 -10.259 -3.285 -2.661 577 HA ILE 80 HA ILE 80 -12.543 -2.671 -4.403 578 HB ILE 80 HB ILE 80 -10.085 -1.320 -3.325 579 HG12 ILE 80 1HG1 ILE 80 -12.970 -0.409 -3.566 580 HG13 ILE 80 2HG1 ILE 80 -12.429 -1.435 -2.256 581 HG21 ILE 80 1HG2 ILE 80 -11.615 -0.194 -5.687 582 HG22 ILE 80 2HG2 ILE 80 -10.392 0.648 -4.696 583 HG23 ILE 80 3HG2 ILE 80 -9.908 -0.735 -5.669 584 HD11 ILE 80 1HD1 ILE 80 -11.306 1.338 -2.781 585 HD12 ILE 80 2HD1 ILE 80 -12.497 0.890 -1.546 586 HD13 ILE 80 3HD1 ILE 80 -10.861 0.221 -1.471 587 H LYS 81 H LYS 81 -12.361 -2.385 -6.680 588 HA LYS 81 HA LYS 81 -10.541 -4.423 -7.849 589 HB2 LYS 81 1HB LYS 81 -13.193 -3.330 -8.825 590 HB3 LYS 81 2HB LYS 81 -12.214 -4.569 -9.630 591 HG2 LYS 81 1HG LYS 81 -12.384 -5.958 -7.495 592 HG3 LYS 81 2HG LYS 81 -13.543 -4.767 -6.897 593 HD2 LYS 81 1HD LYS 81 -14.888 -6.478 -7.767 594 HD3 LYS 81 2HD LYS 81 -14.905 -5.239 -9.030 595 HE2 LYS 81 1HE LYS 81 -13.028 -6.529 -10.178 596 HE3 LYS 81 2HE LYS 81 -13.217 -7.783 -8.951 597 HZ1 LYS 81 1HZ LYS 81 -14.488 -8.306 -10.955 598 HZ2 LYS 81 2HZ LYS 81 -15.352 -6.928 -10.835 599 HZ3 LYS 81 3HZ LYS 81 -15.512 -8.095 -9.703 600 H LEU 82 H LEU 82 -8.797 -2.822 -7.758 601 HA LEU 82 HA LEU 82 -8.657 -0.593 -9.534 602 HB2 LEU 82 1HB LEU 82 -7.051 -1.117 -7.668 603 HB3 LEU 82 2HB LEU 82 -6.425 -2.467 -8.607 604 HG LEU 82 HG LEU 82 -5.544 -0.932 -10.304 605 HD11 LEU 82 1HD1 LEU 82 -6.773 1.263 -8.577 606 HD12 LEU 82 2HD1 LEU 82 -7.152 0.903 -10.279 607 HD13 LEU 82 3HD1 LEU 82 -5.570 1.546 -9.849 608 HD21 LEU 82 1HD2 LEU 82 -4.185 -1.455 -8.291 609 HD22 LEU 82 2HD2 LEU 82 -4.860 -0.035 -7.467 610 HD23 LEU 82 3HD2 LEU 82 -3.840 0.172 -8.903 611 H TYR 83 H TYR 83 -8.463 -0.497 -11.805 612 HA TYR 83 HA TYR 83 -9.034 -1.342 -13.842 613 HB2 TYR 83 1HB TYR 83 -6.555 -3.007 -13.343 614 HB3 TYR 83 2HB TYR 83 -7.242 -2.630 -14.911 615 HD1 TYR 83 1HD TYR 83 -7.653 0.005 -15.355 616 HD2 TYR 83 2HD TYR 83 -4.709 -1.719 -12.716 617 HE1 TYR 83 1HE TYR 83 -6.233 2.031 -15.614 618 HE2 TYR 83 2HE TYR 83 -3.279 0.295 -13.004 619 HH TYR 83 HH TYR 83 -4.268 3.064 -15.056 620 H GLY 84 H GLY 84 -10.518 -2.923 -11.767 621 HA2 GLY 84 1HA GLY 84 -12.181 -4.506 -12.042 622 HA3 GLY 84 2HA GLY 84 -11.513 -4.970 -13.599 623 H LYS 85 H LYS 85 -9.451 -5.118 -10.747 624 HA LYS 85 HA LYS 85 -9.711 -8.030 -10.416 625 HB2 LYS 85 1HB LYS 85 -7.861 -7.559 -12.002 626 HB3 LYS 85 2HB LYS 85 -7.116 -6.483 -10.812 627 HG2 LYS 85 1HG LYS 85 -6.896 -8.425 -9.239 628 HG3 LYS 85 2HG LYS 85 -7.605 -9.481 -10.475 629 HD2 LYS 85 1HD LYS 85 -5.736 -8.943 -12.016 630 HD3 LYS 85 2HD LYS 85 -5.048 -7.845 -10.799 631 HE2 LYS 85 1HE LYS 85 -4.816 -9.746 -9.218 632 HE3 LYS 85 2HE LYS 85 -5.479 -10.844 -10.435 633 HZ1 LYS 85 1HZ LYS 85 -2.964 -9.277 -10.744 634 HZ2 LYS 85 2HZ LYS 85 -3.574 -10.316 -11.859 635 HZ3 LYS 85 3HZ LYS 85 -3.044 -10.884 -10.425 636 HA PRO 86 HA PRO 86 -10.116 -6.054 -6.443 637 HB2 PRO 86 1HB PRO 86 -10.534 -8.227 -4.813 638 HB3 PRO 86 2HB PRO 86 -11.742 -7.546 -5.944 639 HG2 PRO 86 1HG PRO 86 -9.902 -9.905 -6.379 640 HG3 PRO 86 2HG PRO 86 -11.650 -9.775 -6.748 641 HD2 PRO 86 1HD PRO 86 -9.734 -9.434 -8.651 642 HD3 PRO 86 2HD PRO 86 -11.220 -8.428 -8.680 643 H ILE 87 H ILE 87 -8.519 -5.075 -5.386 644 HA ILE 87 HA ILE 87 -6.026 -6.514 -4.741 645 HB ILE 87 HB ILE 87 -5.155 -4.333 -4.022 646 HG12 ILE 87 1HG1 ILE 87 -7.513 -2.991 -5.366 647 HG13 ILE 87 2HG1 ILE 87 -7.511 -3.272 -3.621 648 HG21 ILE 87 1HG2 ILE 87 -4.759 -5.246 -6.258 649 HG22 ILE 87 2HG2 ILE 87 -6.233 -4.477 -6.873 650 HG23 ILE 87 3HG2 ILE 87 -4.867 -3.483 -6.332 651 HD11 ILE 87 1HD1 ILE 87 -5.460 -1.628 -5.161 652 HD12 ILE 87 2HD1 ILE 87 -6.772 -1.016 -4.138 653 HD13 ILE 87 3HD1 ILE 87 -5.444 -1.936 -3.407 654 H ARG 88 H ARG 88 -5.231 -6.895 -2.766 655 HA ARG 88 HA ARG 88 -7.016 -6.537 -0.378 656 HB2 ARG 88 1HB ARG 88 -6.374 -8.896 -1.066 657 HB3 ARG 88 2HB ARG 88 -4.687 -8.458 -0.826 658 HG2 ARG 88 1HG ARG 88 -5.343 -9.621 1.121 659 HG3 ARG 88 2HG ARG 88 -5.264 -7.926 1.608 660 HD2 ARG 88 1HD ARG 88 -7.763 -7.781 1.345 661 HD3 ARG 88 2HD ARG 88 -7.788 -9.472 0.861 662 HE ARG 88 HE ARG 88 -7.214 -10.160 3.054 663 HH11 ARG 88 1HH1 ARG 88 -7.777 -6.667 2.988 664 HH12 ARG 88 2HH1 ARG 88 -7.899 -6.607 4.715 665 HH21 ARG 88 1HH2 ARG 88 -7.371 -9.951 5.241 666 HH22 ARG 88 2HH2 ARG 88 -7.630 -8.390 5.957 667 H VAL 89 H VAL 89 -6.373 -5.130 1.163 668 HA VAL 89 HA VAL 89 -3.574 -4.075 1.023 669 HB VAL 89 HB VAL 89 -6.041 -2.423 1.629 670 HG11 VAL 89 1HG1 VAL 89 -3.966 -1.569 2.694 671 HG12 VAL 89 2HG1 VAL 89 -3.135 -1.626 1.133 672 HG13 VAL 89 3HG1 VAL 89 -4.497 -0.512 1.388 673 HG21 VAL 89 1HG2 VAL 89 -6.034 -3.016 -0.761 674 HG22 VAL 89 2HG2 VAL 89 -5.538 -1.336 -0.566 675 HG23 VAL 89 3HG2 VAL 89 -4.316 -2.581 -0.873 676 H ASN 90 H ASN 90 -2.450 -3.839 2.868 677 HA ASN 90 HA ASN 90 -3.689 -3.754 5.476 678 HB2 ASN 90 1HB ASN 90 -3.331 -6.367 4.443 679 HB3 ASN 90 2HB ASN 90 -1.932 -6.129 5.479 680 HD21 ASN 90 1HD2 ASN 90 -5.715 -5.988 7.111 681 HD22 ASN 90 2HD2 ASN 90 -5.463 -5.586 5.403 682 H LYS 91 H LYS 91 -1.747 -4.215 7.222 683 HA LYS 91 HA LYS 91 0.288 -2.187 6.751 684 HB2 LYS 91 1HB LYS 91 0.187 -4.424 8.816 685 HB3 LYS 91 2HB LYS 91 1.221 -3.003 8.906 686 HG2 LYS 91 1HG LYS 91 -1.831 -2.950 8.994 687 HG3 LYS 91 2HG LYS 91 -0.802 -2.984 10.409 688 HD2 LYS 91 1HD LYS 91 -0.440 -0.794 8.338 689 HD3 LYS 91 2HD LYS 91 -1.749 -0.690 9.508 690 HE2 LYS 91 1HE LYS 91 1.103 -1.189 10.410 691 HE3 LYS 91 2HE LYS 91 0.539 0.439 10.001 692 HZ1 LYS 91 1HZ LYS 91 0.315 -0.092 12.357 693 HZ2 LYS 91 2HZ LYS 91 -0.763 -1.257 12.043 694 HZ3 LYS 91 3HZ LYS 91 -1.151 0.302 11.645 695 H ALA 92 H ALA 92 2.447 -2.403 6.115 696 HA ALA 92 HA ALA 92 3.270 -4.773 4.675 697 HB1 ALA 92 1HB ALA 92 4.914 -2.444 5.752 698 HB2 ALA 92 2HB ALA 92 5.427 -3.607 4.514 699 HB3 ALA 92 3HB ALA 92 4.090 -2.495 4.171 700 H SER 93 H SER 93 3.690 -3.684 7.993 701 HA SER 93 HA SER 93 4.768 -6.372 8.771 702 HB2 SER 93 1HB SER 93 5.343 -3.654 9.978 703 HB3 SER 93 2HB SER 93 5.651 -5.194 10.811 704 HG SER 93 HG SER 93 6.642 -4.626 8.210 705 H ALA 94 H ALA 94 2.564 -7.094 8.777 706 HA ALA 94 HA ALA 94 0.581 -5.843 10.482 707 HB1 ALA 94 1HB ALA 94 -0.870 -7.637 9.660 708 HB2 ALA 94 2HB ALA 94 0.013 -6.874 8.332 709 HB3 ALA 94 3HB ALA 94 0.530 -8.466 8.944 710 H HIS 95 H HIS 95 2.583 -6.214 12.144 711 HA HIS 95 HA HIS 95 1.886 -8.510 13.948 712 HB2 HIS 95 1HB HIS 95 4.572 -7.409 13.074 713 HB3 HIS 95 2HB HIS 95 4.379 -8.170 14.648 714 HD2 HIS 95 2HD HIS 95 3.667 -9.180 10.928 715 HE1 HIS 95 1HE HIS 95 4.972 -12.638 13.056 716 HE2 HIS 95 2HE HIS 95 4.270 -11.742 10.780 717 H ASN 96 H ASN 96 1.839 -8.110 16.111 718 HA ASN 96 HA ASN 96 2.204 -5.296 17.067 719 HB2 ASN 96 1HB ASN 96 -0.148 -5.919 17.065 720 HB3 ASN 96 2HB ASN 96 0.204 -7.422 17.932 721 HD21 ASN 96 1HD2 ASN 96 -1.437 -6.556 19.487 722 HD22 ASN 96 2HD2 ASN 96 -0.871 -5.411 20.692 723 H LYS 97 H LYS 97 3.917 -5.098 18.285 724 HA LYS 97 HA LYS 97 4.906 -7.348 20.007 725 HB2 LYS 97 1HB LYS 97 6.254 -5.377 18.219 726 HB3 LYS 97 2HB LYS 97 7.030 -5.611 19.766 727 HG2 LYS 97 1HG LYS 97 7.943 -7.069 18.018 728 HG3 LYS 97 2HG LYS 97 7.340 -7.950 19.418 729 HD2 LYS 97 1HD LYS 97 5.382 -8.702 18.211 730 HD3 LYS 97 2HD LYS 97 5.765 -7.665 16.819 731 HE2 LYS 97 1HE LYS 97 7.810 -8.952 16.386 732 HE3 LYS 97 2HE LYS 97 7.592 -9.865 17.881 733 HZ1 LYS 97 1HZ LYS 97 5.551 -10.817 16.928 734 HZ2 LYS 97 2HZ LYS 97 6.844 -11.163 16.002 735 HZ3 LYS 97 3HZ LYS 97 5.787 -10.031 15.513 736 H ASN 98 H ASN 98 2.918 -4.934 20.504 737 HA ASN 98 HA ASN 98 4.049 -3.634 22.836 738 HB2 ASN 98 1HB ASN 98 2.141 -2.790 21.373 739 HB3 ASN 98 2HB ASN 98 1.121 -4.034 22.099 740 HD21 ASN 98 1HD2 ASN 98 -0.165 -2.023 22.646 741 HD22 ASN 98 2HD2 ASN 98 0.270 -1.199 24.136 742 H LEU 99 H LEU 99 3.314 -3.961 25.049 743 HA LEU 99 HA LEU 99 3.489 -6.797 25.790 744 HB2 LEU 99 1HB LEU 99 3.405 -4.286 27.502 745 HB3 LEU 99 2HB LEU 99 3.755 -5.910 28.083 746 HG LEU 99 HG LEU 99 5.477 -4.307 26.139 747 HD11 LEU 99 1HD1 LEU 99 5.529 -3.493 28.468 748 HD12 LEU 99 2HD1 LEU 99 7.069 -4.231 28.001 749 HD13 LEU 99 3HD1 LEU 99 5.935 -5.128 29.036 750 HD21 LEU 99 1HD2 LEU 99 5.936 -7.062 27.370 751 HD22 LEU 99 2HD2 LEU 99 7.156 -6.113 26.490 752 HD23 LEU 99 3HD2 LEU 99 5.724 -6.694 25.640 753 H SER 100 H SER 100 2.164 -7.861 27.295 754 HA SER 100 HA SER 100 -0.476 -6.812 28.009 755 HB2 SER 100 1HB SER 100 -0.757 -7.786 25.694 756 HB3 SER 100 2HB SER 100 -0.286 -9.364 26.358 757 HG SER 100 HG SER 100 -2.580 -9.029 26.315 758 H GLY 101 H GLY 101 -1.606 -8.257 29.495 759 HA2 GLY 101 1HA GLY 101 -1.768 -9.556 31.384 760 HA3 GLY 101 2HA GLY 101 -0.527 -10.591 30.690 761 HA PRO 102 HA PRO 102 1.795 -7.239 33.376 762 HB2 PRO 102 1HB PRO 102 -0.461 -6.369 35.173 763 HB3 PRO 102 2HB PRO 102 0.927 -5.418 34.560 764 HG2 PRO 102 1HG PRO 102 -1.521 -5.117 33.446 765 HG3 PRO 102 2HG PRO 102 -0.072 -5.231 32.390 766 HD2 PRO 102 1HD PRO 102 -2.029 -7.432 33.131 767 HD3 PRO 102 2HD PRO 102 -1.416 -6.964 31.518 768 H SER 103 H SER 103 2.850 -7.600 35.372 769 HA SER 103 HA SER 103 2.248 -10.115 36.734 770 HB2 SER 103 1HB SER 103 4.557 -9.321 36.168 771 HB3 SER 103 2HB SER 103 4.379 -8.061 37.406 772 HG SER 103 HG SER 103 5.407 -9.988 38.190 773 H SER 104 H SER 104 2.011 -10.346 39.037 774 HA SER 104 HA SER 104 1.129 -8.073 40.664 775 HB2 SER 104 1HB SER 104 -0.908 -8.821 39.343 776 HB3 SER 104 2HB SER 104 -0.810 -10.369 40.203 777 HG SER 104 HG SER 104 -2.221 -8.841 41.224 778 H GLY 105 H GLY 105 0.773 -8.668 42.902 779 HA2 GLY 105 1HA GLY 105 2.820 -10.455 43.942 780 HA3 GLY 105 2HA GLY 105 1.690 -9.481 44.879 Start of MODEL 7 1 H1 GLY 1 1H GLY 1 17.943 -10.742 4.581 2 H2 GLY 1 2H GLY 1 17.321 -12.220 4.228 3 H3 GLY 1 3H GLY 1 17.371 -11.702 5.790 4 HA2 GLY 1 1HA GLY 1 15.812 -9.931 5.318 5 HA3 GLY 1 2HA GLY 1 15.771 -10.483 3.633 6 H SER 2 H SER 2 13.896 -11.497 3.242 7 HA SER 2 HA SER 2 12.959 -13.678 5.024 8 HB2 SER 2 1HB SER 2 11.770 -11.501 5.596 9 HB3 SER 2 2HB SER 2 11.058 -11.555 3.971 10 HG SER 2 HG SER 2 9.741 -12.551 5.612 11 H SER 3 H SER 3 10.995 -14.774 3.848 12 HA SER 3 HA SER 3 10.575 -16.352 2.248 13 HB2 SER 3 1HB SER 3 10.774 -13.936 0.424 14 HB3 SER 3 2HB SER 3 9.945 -15.461 0.055 15 HG SER 3 HG SER 3 8.505 -13.861 0.858 16 H GLY 4 H GLY 4 13.313 -16.362 2.918 17 HA2 GLY 4 1HA GLY 4 15.144 -17.622 2.277 18 HA3 GLY 4 2HA GLY 4 14.446 -17.845 0.675 19 H SER 5 H SER 5 14.508 -14.502 1.231 20 HA SER 5 HA SER 5 16.778 -14.121 -0.554 21 HB2 SER 5 1HB SER 5 14.804 -12.686 -0.699 22 HB3 SER 5 2HB SER 5 15.106 -12.080 0.944 23 HG SER 5 HG SER 5 15.965 -10.739 -0.784 24 H SER 6 H SER 6 18.809 -13.569 -0.120 25 HA SER 6 HA SER 6 19.823 -13.415 2.627 26 HB2 SER 6 1HB SER 6 22.025 -13.321 1.491 27 HB3 SER 6 2HB SER 6 21.046 -14.715 1.007 28 HG SER 6 HG SER 6 22.011 -13.650 -0.797 29 H GLY 7 H GLY 7 18.512 -11.101 0.523 30 HA2 GLY 7 1HA GLY 7 20.331 -8.930 0.825 31 HA3 GLY 7 2HA GLY 7 18.642 -8.799 0.355 32 HA PRO 8 HA PRO 8 19.194 -7.294 4.853 33 HB2 PRO 8 1HB PRO 8 20.134 -4.757 4.716 34 HB3 PRO 8 2HB PRO 8 21.229 -6.168 4.604 35 HG2 PRO 8 1HG PRO 8 20.039 -4.555 2.316 36 HG3 PRO 8 2HG PRO 8 21.761 -4.980 2.585 37 HD2 PRO 8 1HD PRO 8 20.118 -6.455 0.959 38 HD3 PRO 8 2HD PRO 8 21.413 -7.209 1.937 39 H ILE 9 H ILE 9 18.000 -5.471 5.911 40 HA ILE 9 HA ILE 9 16.132 -3.927 4.251 41 HB ILE 9 HB ILE 9 14.889 -5.961 4.855 42 HG12 ILE 9 1HG1 ILE 9 13.743 -3.516 6.236 43 HG13 ILE 9 2HG1 ILE 9 13.792 -3.757 4.486 44 HG21 ILE 9 1HG2 ILE 9 14.221 -6.492 7.124 45 HG22 ILE 9 2HG2 ILE 9 15.979 -6.438 7.056 46 HG23 ILE 9 3HG2 ILE 9 15.081 -5.078 7.760 47 HD11 ILE 9 1HD1 ILE 9 12.268 -5.455 6.502 48 HD12 ILE 9 2HD1 ILE 9 11.602 -4.358 5.284 49 HD13 ILE 9 3HD1 ILE 9 12.425 -5.842 4.770 50 H SER 10 H SER 10 15.585 -1.937 5.117 51 HA SER 10 HA SER 10 17.433 -0.861 7.049 52 HB2 SER 10 1HB SER 10 14.999 0.454 5.793 53 HB3 SER 10 2HB SER 10 16.377 1.268 6.561 54 HG SER 10 HG SER 10 16.577 1.208 4.270 55 H GLU 11 H GLU 11 14.424 -2.338 7.521 56 HA GLU 11 HA GLU 11 12.890 -2.558 9.147 57 HB2 GLU 11 1HB GLU 11 15.133 -1.681 10.989 58 HB3 GLU 11 2HB GLU 11 13.639 -2.481 11.474 59 HG2 GLU 11 1HG GLU 11 14.233 -4.435 10.032 60 HG3 GLU 11 2HG GLU 11 15.783 -3.667 9.669 61 H ARG 12 H ARG 12 14.222 0.701 9.210 62 HA ARG 12 HA ARG 12 12.575 1.860 11.133 63 HB2 ARG 12 1HB ARG 12 13.086 4.028 10.067 64 HB3 ARG 12 2HB ARG 12 14.492 3.029 10.410 65 HG2 ARG 12 1HG ARG 12 14.858 2.494 8.133 66 HG3 ARG 12 2HG ARG 12 13.252 3.023 7.626 67 HD2 ARG 12 1HD ARG 12 15.345 4.905 8.774 68 HD3 ARG 12 2HD ARG 12 15.141 4.573 7.044 69 HE ARG 12 HE ARG 12 12.587 5.265 7.955 70 HH11 ARG 12 1HH1 ARG 12 15.631 6.998 7.736 71 HH12 ARG 12 2HH1 ARG 12 14.820 8.536 7.596 72 HH21 ARG 12 1HH2 ARG 12 11.662 7.136 7.791 73 HH22 ARG 12 2HH2 ARG 12 12.578 8.625 7.622 74 H ASN 13 H ASN 13 10.731 2.852 11.298 75 HA ASN 13 HA ASN 13 8.524 3.164 11.063 76 HB2 ASN 13 1HB ASN 13 7.994 5.004 9.633 77 HB3 ASN 13 2HB ASN 13 9.582 5.228 10.337 78 HD21 ASN 13 1HD2 ASN 13 8.018 4.009 7.340 79 HD22 ASN 13 2HD2 ASN 13 9.227 4.716 6.254 80 H GLN 14 H GLN 14 9.117 0.548 9.844 81 HA GLN 14 HA GLN 14 7.741 0.345 7.384 82 HB2 GLN 14 1HB GLN 14 9.448 -1.254 8.618 83 HB3 GLN 14 2HB GLN 14 7.989 -2.000 9.272 84 HG2 GLN 14 1HG GLN 14 8.669 -3.210 7.297 85 HG3 GLN 14 2HG GLN 14 7.189 -2.347 6.893 86 HE21 GLN 14 1HE2 GLN 14 10.781 -2.238 6.556 87 HE22 GLN 14 2HE2 GLN 14 10.740 -1.265 5.091 88 H ASP 15 H ASP 15 6.380 0.468 10.585 89 HA ASP 15 HA ASP 15 3.756 -0.587 9.987 90 HB2 ASP 15 1HB ASP 15 4.671 1.494 12.015 91 HB3 ASP 15 2HB ASP 15 3.080 0.738 11.982 92 H ALA 16 H ALA 16 5.316 2.444 9.147 93 HA ALA 16 HA ALA 16 2.784 3.710 8.307 94 HB1 ALA 16 1HB ALA 16 4.535 5.059 9.454 95 HB2 ALA 16 2HB ALA 16 5.637 4.740 8.094 96 HB3 ALA 16 3HB ALA 16 4.140 5.653 7.831 97 H THR 17 H THR 17 4.630 1.295 7.032 98 HA THR 17 HA THR 17 4.055 2.091 4.217 99 HB THR 17 HB THR 17 5.653 -0.308 5.129 100 HG1 THR 17 1HG THR 17 7.430 0.842 4.748 101 HG21 THR 17 1HG2 THR 17 6.530 -0.259 2.804 102 HG22 THR 17 2HG2 THR 17 5.488 1.119 2.427 103 HG23 THR 17 3HG2 THR 17 4.776 -0.466 2.804 104 H VAL 18 H VAL 18 2.484 1.063 3.100 105 HA VAL 18 HA VAL 18 1.014 -1.179 4.432 106 HB VAL 18 HB VAL 18 -0.938 -0.661 3.201 107 HG11 VAL 18 1HG1 VAL 18 0.156 1.960 4.305 108 HG12 VAL 18 2HG1 VAL 18 -1.541 1.495 4.146 109 HG13 VAL 18 3HG1 VAL 18 -0.496 0.636 5.296 110 HG21 VAL 18 1HG2 VAL 18 -0.011 0.180 1.066 111 HG22 VAL 18 2HG2 VAL 18 -1.177 1.314 1.756 112 HG23 VAL 18 3HG2 VAL 18 0.557 1.641 1.911 113 H TYR 19 H TYR 19 0.535 -2.991 3.304 114 HA TYR 19 HA TYR 19 2.051 -3.590 0.798 115 HB2 TYR 19 1HB TYR 19 2.528 -5.182 2.506 116 HB3 TYR 19 2HB TYR 19 0.858 -5.244 3.034 117 HD1 TYR 19 1HD TYR 19 -0.842 -6.545 1.851 118 HD2 TYR 19 2HD TYR 19 3.255 -6.486 0.505 119 HE1 TYR 19 1HE TYR 19 -1.271 -8.567 0.476 120 HE2 TYR 19 2HE TYR 19 2.828 -8.534 -0.850 121 HH TYR 19 HH TYR 19 -0.363 -10.150 -0.924 122 H VAL 20 H VAL 20 0.950 -4.140 -1.030 123 HA VAL 20 HA VAL 20 -2.036 -4.361 -0.989 124 HB VAL 20 HB VAL 20 -0.447 -2.968 -3.180 125 HG11 VAL 20 1HG1 VAL 20 -2.739 -2.309 -3.931 126 HG12 VAL 20 2HG1 VAL 20 -2.515 -4.069 -3.941 127 HG13 VAL 20 3HG1 VAL 20 -3.431 -3.306 -2.640 128 HG21 VAL 20 1HG2 VAL 20 -0.423 -1.508 -1.202 129 HG22 VAL 20 2HG2 VAL 20 -1.489 -0.876 -2.452 130 HG23 VAL 20 3HG2 VAL 20 -2.182 -1.691 -1.028 131 H GLY 21 H GLY 21 -2.506 -6.384 -1.579 132 HA2 GLY 21 1HA GLY 21 -0.767 -7.829 -3.558 133 HA3 GLY 21 2HA GLY 21 -1.756 -8.599 -2.328 134 H GLY 22 H GLY 22 -1.683 -8.884 -5.282 135 HA2 GLY 22 1HA GLY 22 -3.416 -9.864 -6.564 136 HA3 GLY 22 2HA GLY 22 -4.633 -8.943 -5.680 137 H LEU 23 H LEU 23 -1.692 -7.679 -7.301 138 HA LEU 23 HA LEU 23 -3.264 -5.483 -8.408 139 HB2 LEU 23 1HB LEU 23 -0.292 -6.158 -8.445 140 HB3 LEU 23 2HB LEU 23 -0.979 -4.679 -9.107 141 HG LEU 23 HG LEU 23 -1.079 -5.522 -6.173 142 HD11 LEU 23 1HD1 LEU 23 0.441 -3.286 -7.558 143 HD12 LEU 23 2HD1 LEU 23 1.144 -4.820 -7.018 144 HD13 LEU 23 3HD1 LEU 23 0.470 -3.688 -5.829 145 HD21 LEU 23 1HD2 LEU 23 -2.244 -3.148 -7.669 146 HD22 LEU 23 2HD2 LEU 23 -1.806 -3.034 -5.962 147 HD23 LEU 23 3HD2 LEU 23 -3.015 -4.217 -6.486 148 H ASP 24 H ASP 24 -3.237 -4.809 -10.564 149 HA ASP 24 HA ASP 24 -3.240 -7.024 -12.502 150 HB2 ASP 24 1HB ASP 24 -5.242 -5.613 -12.342 151 HB3 ASP 24 2HB ASP 24 -4.281 -4.162 -12.631 152 H GLU 25 H GLU 25 -2.215 -6.759 -14.650 153 HA GLU 25 HA GLU 25 0.508 -6.016 -14.488 154 HB2 GLU 25 1HB GLU 25 0.619 -6.539 -16.839 155 HB3 GLU 25 2HB GLU 25 -0.367 -7.726 -15.990 156 HG2 GLU 25 1HG GLU 25 -2.433 -6.597 -16.823 157 HG3 GLU 25 2HG GLU 25 -1.439 -5.416 -17.677 158 H LYS 26 H LYS 26 -2.202 -3.936 -15.262 159 HA LYS 26 HA LYS 26 -0.550 -1.830 -16.489 160 HB2 LYS 26 1HB LYS 26 -3.438 -1.889 -15.541 161 HB3 LYS 26 2HB LYS 26 -2.684 -0.530 -16.384 162 HG2 LYS 26 1HG LYS 26 -2.184 -1.978 -18.326 163 HG3 LYS 26 2HG LYS 26 -2.968 -3.345 -17.537 164 HD2 LYS 26 1HD LYS 26 -4.300 -0.728 -18.340 165 HD3 LYS 26 2HD LYS 26 -4.423 -2.254 -19.209 166 HE2 LYS 26 1HE LYS 26 -5.474 -1.691 -16.402 167 HE3 LYS 26 2HE LYS 26 -6.436 -1.790 -17.879 168 HZ1 LYS 26 1HZ LYS 26 -6.575 -3.885 -16.768 169 HZ2 LYS 26 2HZ LYS 26 -4.965 -4.005 -16.562 170 HZ3 LYS 26 3HZ LYS 26 -5.622 -4.147 -18.068 171 H VAL 27 H VAL 27 -0.916 -2.786 -13.271 172 HA VAL 27 HA VAL 27 -0.812 -0.123 -12.045 173 HB VAL 27 HB VAL 27 -0.359 -2.871 -10.820 174 HG11 VAL 27 1HG1 VAL 27 -0.871 -1.726 -8.682 175 HG12 VAL 27 2HG1 VAL 27 0.625 -1.144 -9.391 176 HG13 VAL 27 3HG1 VAL 27 -0.847 -0.166 -9.506 177 HG21 VAL 27 1HG2 VAL 27 -2.834 -1.082 -10.875 178 HG22 VAL 27 2HG2 VAL 27 -2.654 -2.643 -11.701 179 HG23 VAL 27 3HG2 VAL 27 -2.674 -2.583 -9.940 180 H SER 28 H SER 28 0.954 1.004 -11.334 181 HA SER 28 HA SER 28 3.541 -0.377 -11.008 182 HB2 SER 28 1HB SER 28 3.416 0.494 -13.405 183 HB3 SER 28 2HB SER 28 3.449 2.129 -12.712 184 HG SER 28 HG SER 28 5.551 1.234 -13.262 185 H GLU 29 H GLU 29 5.203 1.160 -10.059 186 HA GLU 29 HA GLU 29 4.354 2.166 -7.570 187 HB2 GLU 29 1HB GLU 29 6.804 2.535 -9.324 188 HB3 GLU 29 2HB GLU 29 6.687 3.477 -7.852 189 HG2 GLU 29 1HG GLU 29 6.940 1.709 -6.452 190 HG3 GLU 29 2HG GLU 29 6.076 0.601 -7.484 191 HA PRO 30 HA PRO 30 4.270 6.688 -9.055 192 HB2 PRO 30 1HB PRO 30 3.823 7.346 -11.668 193 HB3 PRO 30 2HB PRO 30 5.449 7.110 -10.958 194 HG2 PRO 30 1HG PRO 30 3.790 5.096 -12.492 195 HG3 PRO 30 2HG PRO 30 5.509 5.550 -12.758 196 HD2 PRO 30 1HD PRO 30 4.847 3.369 -11.342 197 HD3 PRO 30 2HD PRO 30 6.205 4.391 -10.814 198 H LEU 31 H LEU 31 2.207 4.241 -10.574 199 HA LEU 31 HA LEU 31 -0.238 5.842 -10.512 200 HB2 LEU 31 1HB LEU 31 -0.028 3.765 -11.923 201 HB3 LEU 31 2HB LEU 31 0.102 2.813 -10.450 202 HG LEU 31 HG LEU 31 -2.214 3.768 -9.751 203 HD11 LEU 31 1HD1 LEU 31 -2.179 4.414 -12.724 204 HD12 LEU 31 2HD1 LEU 31 -2.282 5.601 -11.396 205 HD13 LEU 31 3HD1 LEU 31 -3.610 4.459 -11.662 206 HD21 LEU 31 1HD2 LEU 31 -1.916 1.480 -10.442 207 HD22 LEU 31 2HD2 LEU 31 -1.866 1.952 -12.161 208 HD23 LEU 31 3HD2 LEU 31 -3.368 2.120 -11.218 209 H LEU 32 H LEU 32 1.180 3.275 -8.426 210 HA LEU 32 HA LEU 32 -0.795 3.334 -6.421 211 HB2 LEU 32 1HB LEU 32 2.204 2.815 -6.078 212 HB3 LEU 32 2HB LEU 32 0.953 2.448 -4.893 213 HG LEU 32 HG LEU 32 1.392 1.115 -7.569 214 HD11 LEU 32 1HD1 LEU 32 1.308 0.056 -4.717 215 HD12 LEU 32 2HD1 LEU 32 2.790 0.364 -5.660 216 HD13 LEU 32 3HD1 LEU 32 1.645 -0.885 -6.188 217 HD21 LEU 32 1HD2 LEU 32 -0.935 0.883 -5.627 218 HD22 LEU 32 2HD2 LEU 32 -0.552 -0.351 -6.844 219 HD23 LEU 32 3HD2 LEU 32 -0.992 1.286 -7.365 220 H TRP 33 H TRP 33 2.142 5.343 -6.652 221 HA TRP 33 HA TRP 33 1.905 6.660 -4.174 222 HB2 TRP 33 1HB TRP 33 3.787 6.666 -5.891 223 HB3 TRP 33 2HB TRP 33 2.912 7.890 -6.777 224 HD1 TRP 33 HD TRP 33 2.132 9.792 -4.267 225 HE1 TRP 33 1HE TRP 33 3.993 11.112 -3.073 226 HE3 TRP 33 3HE TRP 33 6.116 6.997 -5.730 227 HZ2 TRP 33 2HZ TRP 33 6.885 11.021 -2.885 228 HZ3 TRP 33 3HZ TRP 33 8.447 7.636 -5.062 229 HH2 TRP 33 HH TRP 33 8.828 9.648 -3.649 230 H GLU 34 H GLU 34 0.868 7.982 -7.334 231 HA GLU 34 HA GLU 34 -0.607 10.161 -6.229 232 HB2 GLU 34 1HB GLU 34 -0.822 8.797 -8.950 233 HB3 GLU 34 2HB GLU 34 -1.615 10.321 -8.516 234 HG2 GLU 34 1HG GLU 34 0.670 11.218 -7.879 235 HG3 GLU 34 2HG GLU 34 1.381 9.798 -8.637 236 H LEU 35 H LEU 35 -1.684 6.867 -6.934 237 HA LEU 35 HA LEU 35 -4.502 7.386 -6.583 238 HB2 LEU 35 1HB LEU 35 -3.309 5.354 -7.705 239 HB3 LEU 35 2HB LEU 35 -3.106 4.743 -6.065 240 HG LEU 35 HG LEU 35 -5.723 5.125 -5.940 241 HD11 LEU 35 1HD1 LEU 35 -6.880 4.827 -8.056 242 HD12 LEU 35 2HD1 LEU 35 -5.337 4.897 -8.933 243 HD13 LEU 35 3HD1 LEU 35 -5.940 6.326 -8.060 244 HD21 LEU 35 1HD2 LEU 35 -6.119 2.859 -6.776 245 HD22 LEU 35 2HD2 LEU 35 -4.660 2.927 -5.790 246 HD23 LEU 35 3HD2 LEU 35 -4.521 2.862 -7.567 247 H PHE 36 H PHE 36 -1.889 6.559 -4.281 248 HA PHE 36 HA PHE 36 -3.797 6.186 -2.064 249 HB2 PHE 36 1HB PHE 36 -0.872 5.667 -2.486 250 HB3 PHE 36 2HB PHE 36 -1.489 5.804 -0.881 251 HD1 PHE 36 1HD PHE 36 -2.224 3.869 0.222 252 HD2 PHE 36 2HD PHE 36 -2.350 3.969 -4.076 253 HE1 PHE 36 1HE PHE 36 -3.033 1.526 0.189 254 HE2 PHE 36 2HE PHE 36 -3.071 1.602 -4.115 255 HZ PHE 36 HZ PHE 36 -3.477 0.394 -1.978 256 H LEU 37 H LEU 37 -2.054 8.850 -3.328 257 HA LEU 37 HA LEU 37 -1.808 10.521 -1.068 258 HB2 LEU 37 1HB LEU 37 -2.641 11.056 -3.937 259 HB3 LEU 37 2HB LEU 37 -2.468 12.358 -2.762 260 HG LEU 37 HG LEU 37 -0.237 10.543 -3.711 261 HD11 LEU 37 1HD1 LEU 37 -0.713 13.519 -4.095 262 HD12 LEU 37 2HD1 LEU 37 -1.006 12.275 -5.326 263 HD13 LEU 37 3HD1 LEU 37 0.643 12.564 -4.739 264 HD21 LEU 37 1HD2 LEU 37 1.242 12.076 -2.433 265 HD22 LEU 37 2HD2 LEU 37 0.174 11.123 -1.396 266 HD23 LEU 37 3HD2 LEU 37 -0.207 12.829 -1.712 267 H GLN 38 H GLN 38 -4.734 9.310 -2.429 268 HA GLN 38 HA GLN 38 -6.660 11.168 -1.396 269 HB2 GLN 38 1HB GLN 38 -6.939 8.146 -1.736 270 HB3 GLN 38 2HB GLN 38 -8.258 9.318 -1.599 271 HG2 GLN 38 1HG GLN 38 -7.468 10.400 -3.724 272 HG3 GLN 38 2HG GLN 38 -6.219 9.144 -3.828 273 HE21 GLN 38 1HE2 GLN 38 -6.820 6.997 -4.403 274 HE22 GLN 38 2HE2 GLN 38 -8.438 6.626 -5.016 275 H ALA 39 H ALA 39 -4.928 8.471 0.124 276 HA ALA 39 HA ALA 39 -6.534 8.508 2.572 277 HB1 ALA 39 1HB ALA 39 -4.916 6.845 3.340 278 HB2 ALA 39 2HB ALA 39 -5.445 6.446 1.687 279 HB3 ALA 39 3HB ALA 39 -3.860 7.182 1.960 280 H GLY 40 H GLY 40 -3.239 9.576 1.665 281 HA2 GLY 40 1HA GLY 40 -3.147 11.854 3.378 282 HA3 GLY 40 2HA GLY 40 -2.378 10.484 4.188 283 HA PRO 41 HA PRO 41 0.686 12.671 1.377 284 HB2 PRO 41 1HB PRO 41 2.659 13.146 3.228 285 HB3 PRO 41 2HB PRO 41 1.260 14.228 2.958 286 HG2 PRO 41 1HG PRO 41 1.540 12.058 5.059 287 HG3 PRO 41 2HG PRO 41 1.043 13.761 5.298 288 HD2 PRO 41 1HD PRO 41 -0.754 11.736 5.072 289 HD3 PRO 41 2HD PRO 41 -1.097 13.315 4.304 290 H VAL 42 H VAL 42 1.385 11.082 0.127 291 HA VAL 42 HA VAL 42 2.801 8.704 1.145 292 HB VAL 42 HB VAL 42 2.140 9.533 -1.698 293 HG11 VAL 42 1HG1 VAL 42 3.304 6.946 -0.568 294 HG12 VAL 42 2HG1 VAL 42 2.690 7.141 -2.218 295 HG13 VAL 42 3HG1 VAL 42 4.098 8.057 -1.706 296 HG21 VAL 42 1HG2 VAL 42 0.863 7.425 0.093 297 HG22 VAL 42 2HG2 VAL 42 0.111 8.960 -0.392 298 HG23 VAL 42 3HG2 VAL 42 0.464 7.739 -1.612 299 H VAL 43 H VAL 43 4.887 8.403 1.123 300 HA VAL 43 HA VAL 43 6.707 10.671 0.443 301 HB VAL 43 HB VAL 43 7.255 8.314 2.283 302 HG11 VAL 43 1HG1 VAL 43 9.247 9.625 1.675 303 HG12 VAL 43 2HG1 VAL 43 8.421 11.129 2.164 304 HG13 VAL 43 3HG1 VAL 43 8.826 9.896 3.372 305 HG21 VAL 43 1HG2 VAL 43 6.038 10.994 3.064 306 HG22 VAL 43 2HG2 VAL 43 5.264 9.395 3.167 307 HG23 VAL 43 3HG2 VAL 43 6.658 9.748 4.180 308 H ASN 44 H ASN 44 6.205 7.213 -0.058 309 HA ASN 44 HA ASN 44 8.117 7.024 -2.252 310 HB2 ASN 44 1HB ASN 44 9.676 6.918 -0.406 311 HB3 ASN 44 2HB ASN 44 8.646 5.840 0.503 312 HD21 ASN 44 1HD2 ASN 44 9.693 3.937 0.688 313 HD22 ASN 44 2HD2 ASN 44 10.464 3.096 -0.669 314 H THR 45 H THR 45 8.036 4.867 -3.266 315 HA THR 45 HA THR 45 5.892 3.004 -2.422 316 HB THR 45 HB THR 45 5.321 2.675 -4.892 317 HG1 THR 45 1HG THR 45 5.508 4.609 -6.112 318 HG21 THR 45 1HG2 THR 45 3.609 4.296 -4.925 319 HG22 THR 45 2HG2 THR 45 4.452 5.334 -3.737 320 HG23 THR 45 3HG2 THR 45 3.803 3.748 -3.260 321 H HIS 46 H HIS 46 6.129 0.841 -3.266 322 HA HIS 46 HA HIS 46 8.671 0.232 -4.665 323 HB2 HIS 46 1HB HIS 46 8.967 0.083 -2.076 324 HB3 HIS 46 2HB HIS 46 7.924 -1.319 -2.174 325 HD2 HIS 46 2HD HIS 46 11.468 -0.177 -2.991 326 HE1 HIS 46 1HE HIS 46 11.259 -4.266 -4.196 327 HE2 HIS 46 2HE HIS 46 12.817 -2.283 -3.829 328 H MET 47 H MET 47 8.398 -1.310 -6.185 329 HA MET 47 HA MET 47 6.208 -3.342 -5.883 330 HB2 MET 47 1HB MET 47 6.787 -1.620 -8.298 331 HB3 MET 47 2HB MET 47 6.016 -3.190 -8.446 332 HG2 MET 47 1HG MET 47 4.876 -1.229 -6.461 333 HG3 MET 47 2HG MET 47 4.571 -0.971 -8.165 334 HE1 MET 47 1HE MET 47 2.704 -1.942 -9.446 335 HE2 MET 47 2HE MET 47 3.913 -3.206 -9.725 336 HE3 MET 47 3HE MET 47 2.239 -3.655 -9.307 337 HA PRO 48 HA PRO 48 10.110 -5.626 -6.469 338 HB2 PRO 48 1HB PRO 48 8.164 -7.848 -5.812 339 HB3 PRO 48 2HB PRO 48 9.866 -7.643 -5.279 340 HG2 PRO 48 1HG PRO 48 7.874 -6.984 -3.598 341 HG3 PRO 48 2HG PRO 48 9.246 -5.851 -3.794 342 HD2 PRO 48 1HD PRO 48 6.521 -5.750 -5.131 343 HD3 PRO 48 2HD PRO 48 7.412 -4.432 -4.307 344 H LYS 49 H LYS 49 10.903 -6.548 -8.304 345 HA LYS 49 HA LYS 49 9.002 -7.088 -10.549 346 HB2 LYS 49 1HB LYS 49 11.899 -6.217 -10.754 347 HB3 LYS 49 2HB LYS 49 10.734 -6.359 -12.060 348 HG2 LYS 49 1HG LYS 49 10.764 -4.290 -9.840 349 HG3 LYS 49 2HG LYS 49 11.122 -4.046 -11.549 350 HD2 LYS 49 1HD LYS 49 8.714 -4.725 -12.056 351 HD3 LYS 49 2HD LYS 49 8.406 -4.661 -10.319 352 HE2 LYS 49 1HE LYS 49 9.229 -2.373 -12.160 353 HE3 LYS 49 2HE LYS 49 7.696 -2.579 -11.312 354 HZ1 LYS 49 1HZ LYS 49 9.096 -2.453 -9.205 355 HZ2 LYS 49 2HZ LYS 49 8.911 -1.041 -10.008 356 HZ3 LYS 49 3HZ LYS 49 10.314 -1.881 -10.129 357 H ASP 50 H ASP 50 9.301 -8.716 -11.963 358 HA ASP 50 HA ASP 50 10.613 -11.159 -11.162 359 HB2 ASP 50 1HB ASP 50 8.555 -11.073 -12.538 360 HB3 ASP 50 2HB ASP 50 9.440 -10.251 -13.822 361 H ARG 51 H ARG 51 12.413 -12.203 -12.114 362 HA ARG 51 HA ARG 51 14.560 -10.333 -12.803 363 HB2 ARG 51 1HB ARG 51 16.075 -12.097 -12.210 364 HB3 ARG 51 2HB ARG 51 14.841 -11.902 -10.971 365 HG2 ARG 51 1HG ARG 51 13.642 -13.909 -11.812 366 HG3 ARG 51 2HG ARG 51 14.795 -14.051 -13.144 367 HD2 ARG 51 1HD ARG 51 15.399 -15.638 -11.478 368 HD3 ARG 51 2HD ARG 51 16.639 -14.375 -11.514 369 HE ARG 51 HE ARG 51 14.631 -13.777 -9.527 370 HH11 ARG 51 1HH1 ARG 51 17.361 -15.925 -9.976 371 HH12 ARG 51 2HH1 ARG 51 17.651 -16.065 -8.263 372 HH21 ARG 51 1HH2 ARG 51 15.060 -13.992 -7.355 373 HH22 ARG 51 2HH2 ARG 51 16.374 -14.999 -6.825 374 H VAL 52 H VAL 52 12.536 -11.893 -14.877 375 HA VAL 52 HA VAL 52 14.608 -11.900 -17.045 376 HB VAL 52 HB VAL 52 13.359 -13.866 -18.057 377 HG11 VAL 52 1HG1 VAL 52 15.647 -14.031 -17.122 378 HG12 VAL 52 2HG1 VAL 52 14.965 -14.410 -15.525 379 HG13 VAL 52 3HG1 VAL 52 14.723 -15.525 -16.886 380 HG21 VAL 52 1HG2 VAL 52 12.261 -15.462 -16.625 381 HG22 VAL 52 2HG2 VAL 52 12.439 -14.397 -15.215 382 HG23 VAL 52 3HG2 VAL 52 11.406 -13.915 -16.578 383 H THR 53 H THR 53 11.230 -11.539 -16.130 384 HA THR 53 HA THR 53 10.591 -10.505 -18.836 385 HB THR 53 HB THR 53 8.219 -10.664 -18.142 386 HG1 THR 53 1HG THR 53 9.330 -11.945 -15.872 387 HG21 THR 53 1HG2 THR 53 8.085 -13.144 -18.188 388 HG22 THR 53 2HG2 THR 53 9.847 -13.237 -17.956 389 HG23 THR 53 3HG2 THR 53 9.185 -12.492 -19.418 390 H GLY 54 H GLY 54 11.203 -9.498 -15.608 391 HA2 GLY 54 1HA GLY 54 11.558 -7.455 -14.743 392 HA3 GLY 54 2HA GLY 54 11.336 -6.794 -16.363 393 H GLN 55 H GLN 55 8.492 -8.340 -15.627 394 HA GLN 55 HA GLN 55 7.044 -5.888 -14.880 395 HB2 GLN 55 1HB GLN 55 5.033 -7.354 -15.113 396 HB3 GLN 55 2HB GLN 55 6.004 -7.172 -16.569 397 HG2 GLN 55 1HG GLN 55 6.954 -9.384 -16.320 398 HG3 GLN 55 2HG GLN 55 6.219 -9.599 -14.731 399 HE21 GLN 55 1HE2 GLN 55 5.432 -9.165 -18.235 400 HE22 GLN 55 2HE2 GLN 55 3.899 -10.015 -18.120 401 H HIS 56 H HIS 56 5.366 -6.026 -13.080 402 HA HIS 56 HA HIS 56 6.795 -6.649 -10.653 403 HB2 HIS 56 1HB HIS 56 5.013 -5.655 -9.472 404 HB3 HIS 56 2HB HIS 56 5.316 -4.689 -10.907 405 HD2 HIS 56 2HD HIS 56 3.224 -4.173 -12.405 406 HE1 HIS 56 1HE HIS 56 0.438 -6.856 -10.619 407 HE2 HIS 56 2HE HIS 56 0.701 -4.935 -12.249 408 H GLN 57 H GLN 57 6.089 -7.916 -8.877 409 HA GLN 57 HA GLN 57 5.391 -10.611 -9.750 410 HB2 GLN 57 1HB GLN 57 6.390 -9.499 -7.108 411 HB3 GLN 57 2HB GLN 57 6.121 -11.218 -7.432 412 HG2 GLN 57 1HG GLN 57 7.736 -11.142 -9.310 413 HG3 GLN 57 2HG GLN 57 8.055 -9.440 -8.980 414 HE21 GLN 57 1HE2 GLN 57 8.286 -12.732 -7.508 415 HE22 GLN 57 2HE2 GLN 57 9.605 -12.285 -6.436 416 H GLY 58 H GLY 58 3.171 -8.469 -9.407 417 HA2 GLY 58 1HA GLY 58 0.884 -8.834 -9.176 418 HA3 GLY 58 2HA GLY 58 1.176 -10.307 -8.257 419 H TYR 59 H TYR 59 3.061 -7.944 -6.838 420 HA TYR 59 HA TYR 59 0.978 -6.734 -5.160 421 HB2 TYR 59 1HB TYR 59 1.950 -7.471 -3.080 422 HB3 TYR 59 2HB TYR 59 1.457 -8.855 -4.030 423 HD1 TYR 59 1HD TYR 59 3.182 -10.297 -5.158 424 HD2 TYR 59 2HD TYR 59 4.259 -7.133 -2.429 425 HE1 TYR 59 1HE TYR 59 5.451 -11.290 -4.899 426 HE2 TYR 59 2HE TYR 59 6.497 -8.170 -2.116 427 HH TYR 59 HH TYR 59 7.918 -9.867 -2.722 428 H GLY 60 H GLY 60 1.733 -5.046 -3.811 429 HA2 GLY 60 1HA GLY 60 4.313 -3.719 -4.508 430 HA3 GLY 60 2HA GLY 60 2.801 -2.900 -4.843 431 H PHE 61 H PHE 61 4.386 -1.549 -3.300 432 HA PHE 61 HA PHE 61 3.030 -1.542 -0.669 433 HB2 PHE 61 1HB PHE 61 6.014 -1.165 -1.080 434 HB3 PHE 61 2HB PHE 61 5.165 -1.012 0.437 435 HD1 PHE 61 1HD PHE 61 4.498 -2.953 1.738 436 HD2 PHE 61 2HD PHE 61 6.438 -3.400 -2.084 437 HE1 PHE 61 1HE PHE 61 5.019 -5.327 2.277 438 HE2 PHE 61 2HE PHE 61 6.931 -5.776 -1.559 439 HZ PHE 61 HZ PHE 61 6.226 -6.742 0.625 440 H VAL 62 H VAL 62 2.876 0.454 0.343 441 HA VAL 62 HA VAL 62 3.841 2.891 -1.091 442 HB VAL 62 HB VAL 62 1.030 2.658 0.048 443 HG11 VAL 62 1HG1 VAL 62 1.972 4.928 0.124 444 HG12 VAL 62 2HG1 VAL 62 2.380 4.817 -1.608 445 HG13 VAL 62 3HG1 VAL 62 0.692 4.806 -1.065 446 HG21 VAL 62 1HG2 VAL 62 1.950 2.527 -2.839 447 HG22 VAL 62 2HG2 VAL 62 1.040 1.296 -1.943 448 HG23 VAL 62 3HG2 VAL 62 0.276 2.835 -2.333 449 H GLU 63 H GLU 63 4.783 4.338 0.237 450 HA GLU 63 HA GLU 63 4.717 3.813 3.179 451 HB2 GLU 63 1HB GLU 63 6.837 3.488 1.927 452 HB3 GLU 63 2HB GLU 63 6.793 5.211 1.491 453 HG2 GLU 63 1HG GLU 63 6.975 5.873 3.812 454 HG3 GLU 63 2HG GLU 63 6.827 4.200 4.354 455 H PHE 64 H PHE 64 3.723 5.225 4.430 456 HA PHE 64 HA PHE 64 3.033 7.934 3.426 457 HB2 PHE 64 1HB PHE 64 1.918 6.173 5.629 458 HB3 PHE 64 2HB PHE 64 1.493 7.864 5.448 459 HD1 PHE 64 1HD PHE 64 1.136 4.509 3.926 460 HD2 PHE 64 2HD PHE 64 0.231 8.707 3.562 461 HE1 PHE 64 1HE PHE 64 -0.595 3.989 2.216 462 HE2 PHE 64 2HE PHE 64 -1.491 8.181 1.840 463 HZ PHE 64 HZ PHE 64 -1.930 5.846 1.202 464 H LEU 65 H LEU 65 3.132 9.745 4.837 465 HA LEU 65 HA LEU 65 5.633 10.119 6.110 466 HB2 LEU 65 1HB LEU 65 3.980 11.839 5.116 467 HB3 LEU 65 2HB LEU 65 3.097 11.693 6.644 468 HG LEU 65 HG LEU 65 5.279 12.360 7.817 469 HD11 LEU 65 1HD1 LEU 65 6.007 13.183 4.969 470 HD12 LEU 65 2HD1 LEU 65 6.852 11.960 5.943 471 HD13 LEU 65 3HD1 LEU 65 6.886 13.656 6.439 472 HD21 LEU 65 1HD2 LEU 65 4.924 14.763 7.346 473 HD22 LEU 65 2HD2 LEU 65 3.382 13.910 7.513 474 HD23 LEU 65 3HD2 LEU 65 3.981 14.345 5.896 475 H SER 66 H SER 66 2.523 9.130 7.475 476 HA SER 66 HA SER 66 3.833 8.524 10.075 477 HB2 SER 66 1HB SER 66 1.162 9.954 9.880 478 HB3 SER 66 2HB SER 66 2.063 9.529 11.342 479 HG SER 66 HG SER 66 2.314 11.740 10.761 480 H GLU 67 H GLU 67 2.758 6.977 11.348 481 HA GLU 67 HA GLU 67 1.727 4.749 9.912 482 HB2 GLU 67 1HB GLU 67 3.066 4.615 11.883 483 HB3 GLU 67 2HB GLU 67 1.872 5.462 12.849 484 HG2 GLU 67 1HG GLU 67 1.264 2.799 11.508 485 HG3 GLU 67 2HG GLU 67 2.155 2.866 13.021 486 H GLU 68 H GLU 68 -0.024 7.303 11.685 487 HA GLU 68 HA GLU 68 -2.588 5.998 11.560 488 HB2 GLU 68 1HB GLU 68 -3.512 8.131 12.214 489 HB3 GLU 68 2HB GLU 68 -2.083 7.756 13.173 490 HG2 GLU 68 1HG GLU 68 -0.734 9.300 11.719 491 HG3 GLU 68 2HG GLU 68 -2.204 9.710 10.832 492 H ASP 69 H ASP 69 -0.804 7.831 9.160 493 HA ASP 69 HA ASP 69 -3.114 8.211 7.374 494 HB2 ASP 69 1HB ASP 69 -0.120 8.592 7.019 495 HB3 ASP 69 2HB ASP 69 -1.288 8.870 5.744 496 H ALA 70 H ALA 70 -0.515 5.805 7.853 497 HA ALA 70 HA ALA 70 -1.160 4.279 5.459 498 HB1 ALA 70 1HB ALA 70 1.040 4.167 6.567 499 HB2 ALA 70 2HB ALA 70 0.295 3.539 8.051 500 HB3 ALA 70 3HB ALA 70 0.279 2.565 6.579 501 H ASP 71 H ASP 71 -2.072 4.030 8.928 502 HA ASP 71 HA ASP 71 -3.715 1.739 8.723 503 HB2 ASP 71 1HB ASP 71 -2.782 3.076 10.767 504 HB3 ASP 71 2HB ASP 71 -4.289 3.982 10.658 505 H TYR 72 H TYR 72 -4.446 5.075 7.887 506 HA TYR 72 HA TYR 72 -7.316 4.618 7.495 507 HB2 TYR 72 1HB TYR 72 -6.320 6.819 8.160 508 HB3 TYR 72 2HB TYR 72 -5.548 6.909 6.574 509 HD1 TYR 72 1HD TYR 72 -8.911 6.531 8.233 510 HD2 TYR 72 2HD TYR 72 -6.738 7.839 4.752 511 HE1 TYR 72 1HE TYR 72 -11.017 7.447 7.266 512 HE2 TYR 72 2HE TYR 72 -8.848 8.762 3.779 513 HH TYR 72 HH TYR 72 -11.986 8.533 5.495 514 H ALA 73 H ALA 73 -4.389 4.584 5.409 515 HA ALA 73 HA ALA 73 -5.836 4.509 2.916 516 HB1 ALA 73 1HB ALA 73 -3.077 3.378 3.566 517 HB2 ALA 73 2HB ALA 73 -3.714 3.848 1.972 518 HB3 ALA 73 3HB ALA 73 -3.405 5.084 3.211 519 H ILE 74 H ILE 74 -4.733 2.012 5.170 520 HA ILE 74 HA ILE 74 -5.614 -0.315 3.766 521 HB ILE 74 HB ILE 74 -5.325 0.318 6.728 522 HG12 ILE 74 1HG1 ILE 74 -3.474 -1.331 4.964 523 HG13 ILE 74 2HG1 ILE 74 -3.303 0.425 5.110 524 HG21 ILE 74 1HG2 ILE 74 -5.742 -2.383 5.380 525 HG22 ILE 74 2HG2 ILE 74 -5.230 -2.174 7.068 526 HG23 ILE 74 3HG2 ILE 74 -6.813 -1.610 6.563 527 HD11 ILE 74 1HD1 ILE 74 -3.140 -1.498 7.446 528 HD12 ILE 74 2HD1 ILE 74 -1.781 -0.738 6.596 529 HD13 ILE 74 3HD1 ILE 74 -2.933 0.270 7.467 530 H LYS 75 H LYS 75 -7.382 1.903 5.946 531 HA LYS 75 HA LYS 75 -9.822 0.415 6.062 532 HB2 LYS 75 1HB LYS 75 -9.208 2.170 7.656 533 HB3 LYS 75 2HB LYS 75 -9.306 3.404 6.395 534 HG2 LYS 75 1HG LYS 75 -11.685 3.067 6.127 535 HG3 LYS 75 2HG LYS 75 -11.647 1.684 7.241 536 HD2 LYS 75 1HD LYS 75 -10.963 3.212 9.091 537 HD3 LYS 75 2HD LYS 75 -10.913 4.562 7.954 538 HE2 LYS 75 1HE LYS 75 -12.960 4.745 9.165 539 HE3 LYS 75 2HE LYS 75 -13.353 4.274 7.510 540 HZ1 LYS 75 1HZ LYS 75 -13.239 2.414 9.832 541 HZ2 LYS 75 2HZ LYS 75 -13.642 1.983 8.305 542 HZ3 LYS 75 3HZ LYS 75 -14.607 2.984 9.154 543 H ILE 76 H ILE 76 -8.742 2.876 3.698 544 HA ILE 76 HA ILE 76 -11.327 2.636 2.296 545 HB ILE 76 HB ILE 76 -10.619 4.508 0.960 546 HG12 ILE 76 1HG1 ILE 76 -8.085 4.665 2.624 547 HG13 ILE 76 2HG1 ILE 76 -8.159 4.093 0.968 548 HG21 ILE 76 1HG2 ILE 76 -11.789 4.753 3.174 549 HG22 ILE 76 2HG2 ILE 76 -10.210 5.046 3.937 550 HG23 ILE 76 3HG2 ILE 76 -10.842 6.170 2.720 551 HD11 ILE 76 1HD1 ILE 76 -8.751 6.885 1.968 552 HD12 ILE 76 2HD1 ILE 76 -7.491 6.360 0.837 553 HD13 ILE 76 3HD1 ILE 76 -9.182 6.333 0.327 554 H MET 77 H MET 77 -8.010 1.535 1.633 555 HA MET 77 HA MET 77 -8.753 0.941 -1.162 556 HB2 MET 77 1HB MET 77 -6.129 0.914 0.278 557 HB3 MET 77 2HB MET 77 -6.291 0.415 -1.396 558 HG2 MET 77 1HG MET 77 -7.416 3.091 -0.692 559 HG3 MET 77 2HG MET 77 -5.671 2.902 -0.700 560 HE1 MET 77 1HE MET 77 -6.699 5.078 -2.636 561 HE2 MET 77 2HE MET 77 -5.083 4.427 -2.274 562 HE3 MET 77 3HE MET 77 -5.609 4.573 -3.950 563 H ASP 78 H ASP 78 -9.204 -0.802 1.511 564 HA ASP 78 HA ASP 78 -8.253 -3.387 0.444 565 HB2 ASP 78 1HB ASP 78 -8.022 -2.922 2.859 566 HB3 ASP 78 2HB ASP 78 -9.785 -2.836 3.004 567 H MET 79 H MET 79 -9.512 -5.024 -0.337 568 HA MET 79 HA MET 79 -11.088 -5.929 -1.603 569 HB2 MET 79 1HB MET 79 -12.197 -5.848 0.716 570 HB3 MET 79 2HB MET 79 -13.273 -4.632 0.023 571 HG2 MET 79 1HG MET 79 -13.990 -6.239 -1.701 572 HG3 MET 79 2HG MET 79 -12.825 -7.423 -1.117 573 HE1 MET 79 1HE MET 79 -13.069 -8.881 0.982 574 HE2 MET 79 2HE MET 79 -13.090 -7.457 2.049 575 HE3 MET 79 3HE MET 79 -14.343 -8.702 2.208 576 H ILE 80 H ILE 80 -10.266 -3.007 -2.138 577 HA ILE 80 HA ILE 80 -12.260 -2.065 -4.052 578 HB ILE 80 HB ILE 80 -9.612 -1.227 -3.002 579 HG12 ILE 80 1HG1 ILE 80 -12.239 0.103 -3.684 580 HG13 ILE 80 2HG1 ILE 80 -11.518 -0.192 -2.103 581 HG21 ILE 80 1HG2 ILE 80 -8.954 0.270 -4.673 582 HG22 ILE 80 2HG2 ILE 80 -8.978 -1.338 -5.348 583 HG23 ILE 80 3HG2 ILE 80 -10.307 -0.205 -5.748 584 HD11 ILE 80 1HD1 ILE 80 -9.686 1.500 -2.805 585 HD12 ILE 80 2HD1 ILE 80 -10.732 1.889 -4.177 586 HD13 ILE 80 3HD1 ILE 80 -11.317 2.147 -2.528 587 H LYS 81 H LYS 81 -11.873 -1.946 -6.359 588 HA LYS 81 HA LYS 81 -10.378 -4.285 -7.475 589 HB2 LYS 81 1HB LYS 81 -13.046 -3.079 -8.272 590 HB3 LYS 81 2HB LYS 81 -12.174 -4.321 -9.184 591 HG2 LYS 81 1HG LYS 81 -12.269 -5.808 -7.140 592 HG3 LYS 81 2HG LYS 81 -13.279 -4.590 -6.356 593 HD2 LYS 81 1HD LYS 81 -14.768 -6.232 -7.190 594 HD3 LYS 81 2HD LYS 81 -14.913 -4.847 -8.282 595 HE2 LYS 81 1HE LYS 81 -13.288 -5.991 -9.840 596 HE3 LYS 81 2HE LYS 81 -13.304 -7.392 -8.764 597 HZ1 LYS 81 1HZ LYS 81 -15.698 -7.606 -9.176 598 HZ2 LYS 81 2HZ LYS 81 -14.885 -7.667 -10.590 599 HZ3 LYS 81 3HZ LYS 81 -15.690 -6.311 -10.172 600 H LEU 82 H LEU 82 -8.601 -2.669 -7.511 601 HA LEU 82 HA LEU 82 -8.523 -0.482 -9.356 602 HB2 LEU 82 1HB LEU 82 -6.885 -0.883 -7.545 603 HB3 LEU 82 2HB LEU 82 -6.318 -2.338 -8.359 604 HG LEU 82 HG LEU 82 -5.403 -1.012 -10.202 605 HD11 LEU 82 1HD1 LEU 82 -6.529 1.396 -8.706 606 HD12 LEU 82 2HD1 LEU 82 -6.955 0.869 -10.350 607 HD13 LEU 82 3HD1 LEU 82 -5.342 1.493 -10.022 608 HD21 LEU 82 1HD2 LEU 82 -4.661 0.142 -7.475 609 HD22 LEU 82 2HD2 LEU 82 -3.652 0.182 -8.933 610 HD23 LEU 82 3HD2 LEU 82 -4.035 -1.369 -8.165 611 H TYR 83 H TYR 83 -8.301 -0.416 -11.615 612 HA TYR 83 HA TYR 83 -8.938 -1.246 -13.636 613 HB2 TYR 83 1HB TYR 83 -6.521 -2.995 -13.117 614 HB3 TYR 83 2HB TYR 83 -7.230 -2.696 -14.693 615 HD1 TYR 83 1HD TYR 83 -7.592 -0.092 -15.298 616 HD2 TYR 83 2HD TYR 83 -4.629 -1.712 -12.615 617 HE1 TYR 83 1HE TYR 83 -6.111 1.861 -15.749 618 HE2 TYR 83 2HE TYR 83 -3.147 0.228 -13.082 619 HH TYR 83 HH TYR 83 -2.860 2.167 -14.286 620 H GLY 84 H GLY 84 -10.484 -2.716 -11.520 621 HA2 GLY 84 1HA GLY 84 -12.216 -4.219 -11.700 622 HA3 GLY 84 2HA GLY 84 -11.688 -4.649 -13.323 623 H LYS 85 H LYS 85 -9.495 -5.008 -10.581 624 HA LYS 85 HA LYS 85 -9.825 -7.934 -10.439 625 HB2 LYS 85 1HB LYS 85 -7.950 -7.395 -11.962 626 HB3 LYS 85 2HB LYS 85 -7.200 -6.410 -10.698 627 HG2 LYS 85 1HG LYS 85 -7.041 -8.448 -9.244 628 HG3 LYS 85 2HG LYS 85 -7.756 -9.411 -10.550 629 HD2 LYS 85 1HD LYS 85 -5.846 -8.842 -12.024 630 HD3 LYS 85 2HD LYS 85 -5.153 -7.831 -10.737 631 HE2 LYS 85 1HE LYS 85 -5.006 -9.815 -9.254 632 HE3 LYS 85 2HE LYS 85 -5.684 -10.829 -10.534 633 HZ1 LYS 85 1HZ LYS 85 -3.733 -10.295 -11.898 634 HZ2 LYS 85 2HZ LYS 85 -3.256 -10.960 -10.488 635 HZ3 LYS 85 3HZ LYS 85 -3.107 -9.345 -10.715 636 HA PRO 86 HA PRO 86 -10.230 -6.252 -6.328 637 HB2 PRO 86 1HB PRO 86 -10.676 -8.574 -4.887 638 HB3 PRO 86 2HB PRO 86 -11.891 -7.728 -5.891 639 HG2 PRO 86 1HG PRO 86 -10.169 -10.100 -6.629 640 HG3 PRO 86 2HG PRO 86 -11.919 -9.856 -6.935 641 HD2 PRO 86 1HD PRO 86 -10.053 -9.411 -8.850 642 HD3 PRO 86 2HD PRO 86 -11.468 -8.311 -8.714 643 H ILE 87 H ILE 87 -8.845 -5.537 -4.898 644 HA ILE 87 HA ILE 87 -6.282 -6.978 -4.434 645 HB ILE 87 HB ILE 87 -5.347 -4.825 -3.734 646 HG12 ILE 87 1HG1 ILE 87 -7.791 -3.448 -4.881 647 HG13 ILE 87 2HG1 ILE 87 -7.634 -3.752 -3.146 648 HG21 ILE 87 1HG2 ILE 87 -6.569 -4.868 -6.533 649 HG22 ILE 87 2HG2 ILE 87 -5.185 -3.891 -6.029 650 HG23 ILE 87 3HG2 ILE 87 -5.065 -5.653 -6.013 651 HD11 ILE 87 1HD1 ILE 87 -5.562 -2.416 -3.091 652 HD12 ILE 87 2HD1 ILE 87 -5.704 -2.095 -4.836 653 HD13 ILE 87 3HD1 ILE 87 -6.925 -1.478 -3.720 654 H ARG 88 H ARG 88 -5.271 -6.805 -2.354 655 HA ARG 88 HA ARG 88 -7.077 -6.328 -0.027 656 HB2 ARG 88 1HB ARG 88 -5.169 -8.681 -0.335 657 HB3 ARG 88 2HB ARG 88 -5.946 -8.219 1.178 658 HG2 ARG 88 1HG ARG 88 -7.411 -9.109 -1.344 659 HG3 ARG 88 2HG ARG 88 -7.084 -10.107 0.072 660 HD2 ARG 88 1HD ARG 88 -8.437 -8.607 1.488 661 HD3 ARG 88 2HD ARG 88 -8.792 -7.573 0.109 662 HE ARG 88 HE ARG 88 -9.944 -10.198 0.714 663 HH11 ARG 88 1HH1 ARG 88 -9.542 -7.817 -1.852 664 HH12 ARG 88 2HH1 ARG 88 -10.886 -8.474 -2.754 665 HH21 ARG 88 1HH2 ARG 88 -11.615 -10.962 -0.513 666 HH22 ARG 88 2HH2 ARG 88 -12.027 -10.196 -2.015 667 H VAL 89 H VAL 89 -6.231 -5.282 1.660 668 HA VAL 89 HA VAL 89 -3.428 -4.291 1.385 669 HB VAL 89 HB VAL 89 -5.852 -2.537 1.914 670 HG11 VAL 89 1HG1 VAL 89 -4.309 -0.668 1.554 671 HG12 VAL 89 2HG1 VAL 89 -3.726 -1.671 2.878 672 HG13 VAL 89 3HG1 VAL 89 -2.960 -1.792 1.290 673 HG21 VAL 89 1HG2 VAL 89 -5.922 -3.239 -0.427 674 HG22 VAL 89 2HG2 VAL 89 -5.317 -1.585 -0.359 675 HG23 VAL 89 3HG2 VAL 89 -4.183 -2.926 -0.597 676 H ASN 90 H ASN 90 -2.286 -3.973 3.207 677 HA ASN 90 HA ASN 90 -3.469 -3.777 5.868 678 HB2 ASN 90 1HB ASN 90 -2.311 -5.843 6.740 679 HB3 ASN 90 2HB ASN 90 -3.653 -6.164 5.664 680 HD21 ASN 90 1HD2 ASN 90 -0.024 -6.105 5.776 681 HD22 ASN 90 2HD2 ASN 90 0.096 -7.268 4.468 682 H LYS 91 H LYS 91 -1.601 -3.773 7.589 683 HA LYS 91 HA LYS 91 0.482 -1.902 6.852 684 HB2 LYS 91 1HB LYS 91 0.541 -3.826 9.211 685 HB3 LYS 91 2HB LYS 91 1.423 -2.320 9.059 686 HG2 LYS 91 1HG LYS 91 -1.610 -2.528 9.287 687 HG3 LYS 91 2HG LYS 91 -0.532 -2.329 10.647 688 HD2 LYS 91 1HD LYS 91 -0.144 -0.284 8.514 689 HD3 LYS 91 2HD LYS 91 -1.747 -0.286 9.250 690 HE2 LYS 91 1HE LYS 91 0.783 -0.131 10.898 691 HE3 LYS 91 2HE LYS 91 -0.088 1.272 10.280 692 HZ1 LYS 91 1HZ LYS 91 -0.918 0.895 12.432 693 HZ2 LYS 91 2HZ LYS 91 -1.159 -0.717 12.198 694 HZ3 LYS 91 3HZ LYS 91 -2.112 0.389 11.449 695 H ALA 92 H ALA 92 2.659 -2.257 6.279 696 HA ALA 92 HA ALA 92 3.258 -4.722 4.934 697 HB1 ALA 92 1HB ALA 92 5.068 -2.417 5.745 698 HB2 ALA 92 2HB ALA 92 5.452 -3.666 4.542 699 HB3 ALA 92 3HB ALA 92 4.123 -2.529 4.240 700 H SER 93 H SER 93 3.756 -3.763 8.234 701 HA SER 93 HA SER 93 5.099 -6.366 8.833 702 HB2 SER 93 1HB SER 93 5.497 -3.702 10.230 703 HB3 SER 93 2HB SER 93 6.147 -5.257 10.787 704 HG SER 93 HG SER 93 7.325 -5.423 8.863 705 H ALA 94 H ALA 94 2.385 -6.377 8.596 706 HA ALA 94 HA ALA 94 0.964 -5.817 11.024 707 HB1 ALA 94 1HB ALA 94 -0.120 -5.976 8.813 708 HB2 ALA 94 2HB ALA 94 0.289 -7.704 8.732 709 HB3 ALA 94 3HB ALA 94 -0.840 -7.107 9.967 710 H HIS 95 H HIS 95 -0.079 -7.286 12.441 711 HA HIS 95 HA HIS 95 1.060 -10.006 12.840 712 HB2 HIS 95 1HB HIS 95 0.864 -7.850 14.988 713 HB3 HIS 95 2HB HIS 95 1.200 -9.549 15.294 714 HD2 HIS 95 2HD HIS 95 2.817 -6.444 13.649 715 HE1 HIS 95 1HE HIS 95 5.959 -9.216 14.460 716 HE2 HIS 95 2HE HIS 95 5.421 -6.858 13.652 717 H ASN 96 H ASN 96 -0.277 -11.363 14.197 718 HA ASN 96 HA ASN 96 -3.168 -10.827 14.018 719 HB2 ASN 96 1HB ASN 96 -1.551 -13.156 15.138 720 HB3 ASN 96 2HB ASN 96 -3.310 -13.087 15.138 721 HD21 ASN 96 1HD2 ASN 96 -2.087 -15.208 13.915 722 HD22 ASN 96 2HD2 ASN 96 -2.306 -15.059 12.177 723 H LYS 97 H LYS 97 -4.583 -10.552 15.770 724 HA LYS 97 HA LYS 97 -3.489 -9.106 18.051 725 HB2 LYS 97 1HB LYS 97 -5.574 -8.434 16.907 726 HB3 LYS 97 2HB LYS 97 -6.355 -9.932 17.437 727 HG2 LYS 97 1HG LYS 97 -6.007 -9.251 19.813 728 HG3 LYS 97 2HG LYS 97 -5.237 -7.751 19.265 729 HD2 LYS 97 1HD LYS 97 -7.350 -7.069 18.162 730 HD3 LYS 97 2HD LYS 97 -8.109 -8.598 18.663 731 HE2 LYS 97 1HE LYS 97 -7.688 -8.001 21.049 732 HE3 LYS 97 2HE LYS 97 -6.993 -6.458 20.537 733 HZ1 LYS 97 1HZ LYS 97 -9.157 -5.863 19.607 734 HZ2 LYS 97 2HZ LYS 97 -9.337 -6.262 21.184 735 HZ3 LYS 97 3HZ LYS 97 -9.794 -7.311 20.022 736 H ASN 98 H ASN 98 -2.668 -10.024 19.776 737 HA ASN 98 HA ASN 98 -3.580 -12.670 20.765 738 HB2 ASN 98 1HB ASN 98 -1.164 -12.155 20.515 739 HB3 ASN 98 2HB ASN 98 -1.326 -10.822 21.662 740 HD21 ASN 98 1HD2 ASN 98 -1.732 -14.392 21.364 741 HD22 ASN 98 2HD2 ASN 98 -1.367 -14.694 23.056 742 H LEU 99 H LEU 99 -4.051 -9.296 21.495 743 HA LEU 99 HA LEU 99 -4.791 -9.533 24.253 744 HB2 LEU 99 1HB LEU 99 -3.944 -7.483 23.138 745 HB3 LEU 99 2HB LEU 99 -5.410 -7.405 22.167 746 HG LEU 99 HG LEU 99 -6.750 -7.008 24.232 747 HD11 LEU 99 1HD1 LEU 99 -5.575 -6.413 26.335 748 HD12 LEU 99 2HD1 LEU 99 -4.031 -6.927 25.620 749 HD13 LEU 99 3HD1 LEU 99 -5.318 -8.112 25.930 750 HD21 LEU 99 1HD2 LEU 99 -5.949 -4.728 24.637 751 HD22 LEU 99 2HD2 LEU 99 -5.875 -5.122 22.912 752 HD23 LEU 99 3HD2 LEU 99 -4.386 -5.124 23.885 753 H SER 100 H SER 100 -6.824 -9.451 25.236 754 HA SER 100 HA SER 100 -8.931 -10.996 24.119 755 HB2 SER 100 1HB SER 100 -8.981 -9.134 26.527 756 HB3 SER 100 2HB SER 100 -10.103 -10.469 26.201 757 HG SER 100 HG SER 100 -8.437 -11.086 27.653 758 H GLY 101 H GLY 101 -11.234 -10.361 24.119 759 HA2 GLY 101 1HA GLY 101 -11.874 -7.955 22.569 760 HA3 GLY 101 2HA GLY 101 -12.982 -9.186 23.170 761 HA PRO 102 HA PRO 102 -13.508 -5.259 25.708 762 HB2 PRO 102 1HB PRO 102 -16.241 -5.065 25.524 763 HB3 PRO 102 2HB PRO 102 -15.116 -4.408 24.296 764 HG2 PRO 102 1HG PRO 102 -16.563 -7.078 24.254 765 HG3 PRO 102 2HG PRO 102 -16.474 -5.848 22.950 766 HD2 PRO 102 1HD PRO 102 -14.826 -7.997 22.978 767 HD3 PRO 102 2HD PRO 102 -14.217 -6.394 22.469 768 H SER 103 H SER 103 -14.307 -5.075 27.837 769 HA SER 103 HA SER 103 -14.396 -7.585 29.291 770 HB2 SER 103 1HB SER 103 -14.344 -6.133 31.271 771 HB3 SER 103 2HB SER 103 -13.112 -5.667 30.084 772 HG SER 103 HG SER 103 -14.240 -3.838 30.874 773 H SER 104 H SER 104 -16.863 -5.422 28.167 774 HA SER 104 HA SER 104 -19.063 -5.119 28.563 775 HB2 SER 104 1HB SER 104 -19.061 -8.071 29.245 776 HB3 SER 104 2HB SER 104 -20.478 -7.091 28.824 777 HG SER 104 HG SER 104 -19.629 -8.234 27.015 778 H GLY 105 H GLY 105 -17.312 -4.560 30.826 779 HA2 GLY 105 1HA GLY 105 -18.564 -5.206 33.341 780 HA3 GLY 105 2HA GLY 105 -17.395 -3.920 33.047 Start of MODEL 8 1 H1 GLY 1 1H GLY 1 -11.065 -8.602 18.876 2 H2 GLY 1 2H GLY 1 -11.876 -7.388 18.128 3 H3 GLY 1 3H GLY 1 -10.762 -7.044 19.280 4 HA2 GLY 1 1HA GLY 1 -10.199 -8.259 16.651 5 HA3 GLY 1 2HA GLY 1 -9.852 -6.581 17.104 6 H SER 2 H SER 2 -7.615 -6.889 16.662 7 HA SER 2 HA SER 2 -5.953 -8.893 17.787 8 HB2 SER 2 1HB SER 2 -5.257 -6.058 16.928 9 HB3 SER 2 2HB SER 2 -4.100 -7.383 17.163 10 HG SER 2 HG SER 2 -4.943 -6.946 14.939 11 H SER 3 H SER 3 -4.748 -9.063 19.639 12 HA SER 3 HA SER 3 -5.516 -7.606 21.973 13 HB2 SER 3 1HB SER 3 -3.095 -9.399 21.571 14 HB3 SER 3 2HB SER 3 -3.841 -8.949 23.117 15 HG SER 3 HG SER 3 -4.549 -11.010 22.394 16 H GLY 4 H GLY 4 -2.848 -7.108 19.730 17 HA2 GLY 4 1HA GLY 4 -2.262 -4.506 20.133 18 HA3 GLY 4 2HA GLY 4 -1.380 -5.244 21.469 19 H SER 5 H SER 5 0.290 -4.025 20.078 20 HA SER 5 HA SER 5 1.923 -6.054 18.737 21 HB2 SER 5 1HB SER 5 0.599 -5.041 16.878 22 HB3 SER 5 2HB SER 5 1.267 -3.455 17.304 23 HG SER 5 HG SER 5 2.444 -4.451 15.634 24 H SER 6 H SER 6 4.038 -5.758 19.384 25 HA SER 6 HA SER 6 4.858 -3.104 20.506 26 HB2 SER 6 1HB SER 6 5.978 -4.246 22.331 27 HB3 SER 6 2HB SER 6 4.246 -4.608 22.315 28 HG SER 6 HG SER 6 5.572 -6.475 22.655 29 H GLY 7 H GLY 7 7.024 -2.554 20.524 30 HA2 GLY 7 1HA GLY 7 9.239 -2.501 19.839 31 HA3 GLY 7 2HA GLY 7 9.101 -4.156 19.285 32 HA PRO 8 HA PRO 8 7.864 -1.060 15.641 33 HB2 PRO 8 1HB PRO 8 9.977 0.962 16.384 34 HB3 PRO 8 2HB PRO 8 8.420 1.216 15.534 35 HG2 PRO 8 1HG PRO 8 8.639 1.848 18.155 36 HG3 PRO 8 2HG PRO 8 7.186 0.966 17.576 37 HD2 PRO 8 1HD PRO 8 9.659 -0.169 18.922 38 HD3 PRO 8 2HD PRO 8 7.934 -0.492 19.276 39 H ILE 9 H ILE 9 8.957 -1.126 13.625 40 HA ILE 9 HA ILE 9 11.002 -3.130 13.626 41 HB ILE 9 HB ILE 9 9.038 -2.817 12.031 42 HG12 ILE 9 1HG1 ILE 9 11.766 -3.528 10.883 43 HG13 ILE 9 2HG1 ILE 9 10.738 -4.576 11.862 44 HG21 ILE 9 1HG2 ILE 9 9.592 -0.444 11.411 45 HG22 ILE 9 2HG2 ILE 9 10.994 -1.042 10.504 46 HG23 ILE 9 3HG2 ILE 9 9.356 -1.502 10.024 47 HD11 ILE 9 1HD1 ILE 9 10.477 -5.189 9.559 48 HD12 ILE 9 2HD1 ILE 9 8.970 -4.398 10.068 49 HD13 ILE 9 3HD1 ILE 9 10.170 -3.514 9.085 50 H SER 10 H SER 10 13.064 -3.184 12.673 51 HA SER 10 HA SER 10 14.617 -0.665 12.766 52 HB2 SER 10 1HB SER 10 16.557 -2.205 12.892 53 HB3 SER 10 2HB SER 10 15.381 -2.438 14.194 54 HG SER 10 HG SER 10 16.061 -4.433 13.259 55 H GLU 11 H GLU 11 13.062 -2.296 10.325 56 HA GLU 11 HA GLU 11 15.121 -1.594 8.267 57 HB2 GLU 11 1HB GLU 11 13.281 -4.015 8.316 58 HB3 GLU 11 2HB GLU 11 14.273 -3.508 6.943 59 HG2 GLU 11 1HG GLU 11 16.320 -3.731 8.377 60 HG3 GLU 11 2HG GLU 11 15.311 -4.369 9.677 61 H ARG 12 H ARG 12 14.499 -0.420 6.599 62 HA ARG 12 HA ARG 12 13.335 1.263 5.587 63 HB2 ARG 12 1HB ARG 12 11.144 -0.813 5.232 64 HB3 ARG 12 2HB ARG 12 11.467 0.619 4.241 65 HG2 ARG 12 1HG ARG 12 13.818 -0.502 3.855 66 HG3 ARG 12 2HG ARG 12 13.000 -1.979 4.379 67 HD2 ARG 12 1HD ARG 12 12.304 -0.184 2.019 68 HD3 ARG 12 2HD ARG 12 12.971 -1.821 1.961 69 HE ARG 12 HE ARG 12 10.402 -1.766 3.331 70 HH11 ARG 12 1HH1 ARG 12 11.749 -1.775 0.095 71 HH12 ARG 12 2HH1 ARG 12 10.275 -2.380 -0.614 72 HH21 ARG 12 1HH2 ARG 12 8.607 -2.449 2.420 73 HH22 ARG 12 2HH2 ARG 12 8.510 -2.808 0.701 74 H ASN 13 H ASN 13 10.222 1.167 5.698 75 HA ASN 13 HA ASN 13 9.783 2.323 8.411 76 HB2 ASN 13 1HB ASN 13 9.036 3.564 5.721 77 HB3 ASN 13 2HB ASN 13 8.403 4.115 7.269 78 HD21 ASN 13 1HD2 ASN 13 9.820 5.192 8.777 79 HD22 ASN 13 2HD2 ASN 13 11.369 5.811 8.227 80 H GLN 14 H GLN 14 9.211 -0.320 7.724 81 HA GLN 14 HA GLN 14 6.821 -0.812 6.382 82 HB2 GLN 14 1HB GLN 14 7.990 -2.475 8.618 83 HB3 GLN 14 2HB GLN 14 6.836 -3.026 7.430 84 HG2 GLN 14 1HG GLN 14 9.643 -2.079 6.714 85 HG3 GLN 14 2HG GLN 14 9.202 -3.748 7.035 86 HE21 GLN 14 1HE2 GLN 14 7.441 -4.735 5.604 87 HE22 GLN 14 2HE2 GLN 14 7.547 -4.263 3.920 88 H ASP 15 H ASP 15 7.061 0.312 9.710 89 HA ASP 15 HA ASP 15 4.342 -0.429 10.467 90 HB2 ASP 15 1HB ASP 15 6.336 1.526 11.669 91 HB3 ASP 15 2HB ASP 15 4.774 1.126 12.385 92 H ALA 16 H ALA 16 5.622 2.194 8.591 93 HA ALA 16 HA ALA 16 2.940 3.503 8.543 94 HB1 ALA 16 1HB ALA 16 4.626 4.951 9.626 95 HB2 ALA 16 2HB ALA 16 5.658 4.825 8.181 96 HB3 ALA 16 3HB ALA 16 4.073 5.621 8.080 97 H THR 17 H THR 17 4.484 1.291 6.951 98 HA THR 17 HA THR 17 3.809 2.323 4.229 99 HB THR 17 HB THR 17 5.622 -0.004 4.918 100 HG1 THR 17 1HG THR 17 6.534 1.985 5.474 101 HG21 THR 17 1HG2 THR 17 6.367 0.110 2.587 102 HG22 THR 17 2HG2 THR 17 5.239 1.425 2.257 103 HG23 THR 17 3HG2 THR 17 4.624 -0.197 2.658 104 H VAL 18 H VAL 18 2.222 1.281 3.121 105 HA VAL 18 HA VAL 18 0.917 -1.070 4.437 106 HB VAL 18 HB VAL 18 -1.032 -0.697 3.128 107 HG11 VAL 18 1HG1 VAL 18 -0.745 0.575 5.253 108 HG12 VAL 18 2HG1 VAL 18 -0.128 1.957 4.319 109 HG13 VAL 18 3HG1 VAL 18 -1.791 1.405 4.082 110 HG21 VAL 18 1HG2 VAL 18 -1.355 1.275 1.695 111 HG22 VAL 18 2HG2 VAL 18 0.346 1.721 1.922 112 HG23 VAL 18 3HG2 VAL 18 -0.085 0.238 1.037 113 H TYR 19 H TYR 19 0.558 -2.931 3.328 114 HA TYR 19 HA TYR 19 2.145 -3.462 0.848 115 HB2 TYR 19 1HB TYR 19 2.654 -5.044 2.559 116 HB3 TYR 19 2HB TYR 19 0.977 -5.174 3.057 117 HD1 TYR 19 1HD TYR 19 3.490 -6.371 0.644 118 HD2 TYR 19 2HD TYR 19 -0.677 -6.467 1.759 119 HE1 TYR 19 1HE TYR 19 3.152 -8.390 -0.770 120 HE2 TYR 19 2HE TYR 19 -1.020 -8.455 0.304 121 HH TYR 19 HH TYR 19 1.661 -9.943 -1.552 122 H VAL 20 H VAL 20 1.081 -4.037 -1.001 123 HA VAL 20 HA VAL 20 -1.903 -4.251 -1.003 124 HB VAL 20 HB VAL 20 -0.293 -2.792 -3.134 125 HG11 VAL 20 1HG1 VAL 20 -2.550 -2.086 -3.889 126 HG12 VAL 20 2HG1 VAL 20 -2.396 -3.852 -3.911 127 HG13 VAL 20 3HG1 VAL 20 -3.288 -3.061 -2.604 128 HG21 VAL 20 1HG2 VAL 20 -1.311 -0.715 -2.324 129 HG22 VAL 20 2HG2 VAL 20 -2.008 -1.577 -0.931 130 HG23 VAL 20 3HG2 VAL 20 -0.247 -1.406 -1.107 131 H GLY 21 H GLY 21 -2.314 -6.296 -1.583 132 HA2 GLY 21 1HA GLY 21 -0.567 -7.682 -3.596 133 HA3 GLY 21 2HA GLY 21 -1.552 -8.481 -2.381 134 H GLY 22 H GLY 22 -1.440 -8.587 -5.406 135 HA2 GLY 22 1HA GLY 22 -3.189 -9.606 -6.682 136 HA3 GLY 22 2HA GLY 22 -4.402 -8.656 -5.825 137 H LEU 23 H LEU 23 -1.408 -7.408 -7.323 138 HA LEU 23 HA LEU 23 -2.906 -5.224 -8.554 139 HB2 LEU 23 1HB LEU 23 0.061 -5.921 -8.525 140 HB3 LEU 23 2HB LEU 23 -0.622 -4.431 -9.166 141 HG LEU 23 HG LEU 23 -0.677 -5.323 -6.247 142 HD11 LEU 23 1HD1 LEU 23 1.519 -4.580 -7.128 143 HD12 LEU 23 2HD1 LEU 23 0.854 -3.466 -5.912 144 HD13 LEU 23 3HD1 LEU 23 0.792 -3.050 -7.638 145 HD21 LEU 23 1HD2 LEU 23 -1.860 -2.890 -7.637 146 HD22 LEU 23 2HD2 LEU 23 -1.468 -2.908 -5.912 147 HD23 LEU 23 3HD2 LEU 23 -2.664 -4.042 -6.558 148 H ASP 24 H ASP 24 -3.078 -4.750 -10.694 149 HA ASP 24 HA ASP 24 -2.830 -6.986 -12.564 150 HB2 ASP 24 1HB ASP 24 -4.887 -5.625 -12.509 151 HB3 ASP 24 2HB ASP 24 -3.957 -4.171 -12.875 152 H GLU 25 H GLU 25 -1.829 -6.704 -14.736 153 HA GLU 25 HA GLU 25 0.862 -5.810 -14.631 154 HB2 GLU 25 1HB GLU 25 0.945 -6.335 -16.987 155 HB3 GLU 25 2HB GLU 25 0.073 -7.583 -16.102 156 HG2 GLU 25 1HG GLU 25 -2.093 -6.614 -16.879 157 HG3 GLU 25 2HG GLU 25 -1.211 -5.371 -17.770 158 H LYS 26 H LYS 26 -2.011 -3.924 -15.413 159 HA LYS 26 HA LYS 26 -0.511 -1.716 -16.635 160 HB2 LYS 26 1HB LYS 26 -3.371 -1.949 -15.629 161 HB3 LYS 26 2HB LYS 26 -2.712 -0.537 -16.464 162 HG2 LYS 26 1HG LYS 26 -2.144 -1.942 -18.430 163 HG3 LYS 26 2HG LYS 26 -2.869 -3.347 -17.652 164 HD2 LYS 26 1HD LYS 26 -4.301 -0.773 -18.421 165 HD3 LYS 26 2HD LYS 26 -4.377 -2.294 -19.303 166 HE2 LYS 26 1HE LYS 26 -5.421 -1.802 -16.481 167 HE3 LYS 26 2HE LYS 26 -6.396 -1.901 -17.950 168 HZ1 LYS 26 1HZ LYS 26 -4.837 -4.098 -16.703 169 HZ2 LYS 26 2HZ LYS 26 -5.528 -4.227 -18.195 170 HZ3 LYS 26 3HZ LYS 26 -6.457 -4.019 -16.867 171 H VAL 27 H VAL 27 -0.853 -2.671 -13.375 172 HA VAL 27 HA VAL 27 -0.892 -0.018 -12.173 173 HB VAL 27 HB VAL 27 -0.122 -2.705 -10.967 174 HG11 VAL 27 1HG1 VAL 27 0.842 -0.898 -9.619 175 HG12 VAL 27 2HG1 VAL 27 -0.712 -0.048 -9.601 176 HG13 VAL 27 3HG1 VAL 27 -0.533 -1.612 -8.806 177 HG21 VAL 27 1HG2 VAL 27 -2.384 -2.590 -9.937 178 HG22 VAL 27 2HG2 VAL 27 -2.718 -1.100 -10.837 179 HG23 VAL 27 3HG2 VAL 27 -2.482 -2.636 -11.696 180 H SER 28 H SER 28 0.751 1.267 -11.492 181 HA SER 28 HA SER 28 3.570 0.328 -11.727 182 HB2 SER 28 1HB SER 28 4.214 2.397 -12.790 183 HB3 SER 28 2HB SER 28 2.940 1.633 -13.751 184 HG SER 28 HG SER 28 2.479 3.832 -13.494 185 H GLU 29 H GLU 29 5.116 1.640 -10.450 186 HA GLU 29 HA GLU 29 4.170 2.154 -7.824 187 HB2 GLU 29 1HB GLU 29 6.731 2.660 -9.346 188 HB3 GLU 29 2HB GLU 29 6.540 3.505 -7.824 189 HG2 GLU 29 1HG GLU 29 6.696 1.644 -6.541 190 HG3 GLU 29 2HG GLU 29 5.846 0.634 -7.683 191 HA PRO 30 HA PRO 30 3.985 6.877 -8.885 192 HB2 PRO 30 1HB PRO 30 3.271 6.618 -11.810 193 HB3 PRO 30 2HB PRO 30 4.080 7.974 -10.960 194 HG2 PRO 30 1HG PRO 30 5.559 6.237 -12.399 195 HG3 PRO 30 2HG PRO 30 6.120 6.717 -10.760 196 HD2 PRO 30 1HD PRO 30 4.612 4.219 -11.572 197 HD3 PRO 30 2HD PRO 30 6.070 4.369 -10.550 198 H LEU 31 H LEU 31 1.920 4.366 -10.432 199 HA LEU 31 HA LEU 31 -0.556 5.857 -10.101 200 HB2 LEU 31 1HB LEU 31 -0.326 3.940 -11.701 201 HB3 LEU 31 2HB LEU 31 -0.088 2.855 -10.335 202 HG LEU 31 HG LEU 31 -2.405 3.554 -9.466 203 HD11 LEU 31 1HD1 LEU 31 -2.663 5.619 -10.775 204 HD12 LEU 31 2HD1 LEU 31 -3.936 4.458 -11.176 205 HD13 LEU 31 3HD1 LEU 31 -2.561 4.682 -12.287 206 HD21 LEU 31 1HD2 LEU 31 -2.034 1.420 -10.528 207 HD22 LEU 31 2HD2 LEU 31 -2.096 2.160 -12.151 208 HD23 LEU 31 3HD2 LEU 31 -3.550 2.096 -11.134 209 H LEU 32 H LEU 32 1.077 3.238 -8.262 210 HA LEU 32 HA LEU 32 -0.783 3.208 -6.095 211 HB2 LEU 32 1HB LEU 32 2.207 2.561 -6.050 212 HB3 LEU 32 2HB LEU 32 1.027 2.134 -4.812 213 HG LEU 32 HG LEU 32 1.262 1.016 -7.602 214 HD11 LEU 32 1HD1 LEU 32 1.200 -0.247 -4.826 215 HD12 LEU 32 2HD1 LEU 32 2.679 0.117 -5.754 216 HD13 LEU 32 3HD1 LEU 32 1.514 -1.075 -6.372 217 HD21 LEU 32 1HD2 LEU 32 -1.104 1.267 -7.291 218 HD22 LEU 32 2HD2 LEU 32 -1.003 0.737 -5.589 219 HD23 LEU 32 3HD2 LEU 32 -0.725 -0.421 -6.901 220 H TRP 33 H TRP 33 1.813 5.436 -6.748 221 HA TRP 33 HA TRP 33 1.742 6.668 -4.119 222 HB2 TRP 33 1HB TRP 33 3.596 6.749 -5.861 223 HB3 TRP 33 2HB TRP 33 2.654 7.936 -6.730 224 HD1 TRP 33 HD TRP 33 1.809 9.811 -4.246 225 HE1 TRP 33 1HE TRP 33 3.617 11.213 -3.060 226 HE3 TRP 33 3HE TRP 33 5.907 7.163 -5.679 227 HZ2 TRP 33 2HZ TRP 33 6.508 11.239 -2.867 228 HZ3 TRP 33 3HZ TRP 33 8.209 7.908 -5.024 229 HH2 TRP 33 HH TRP 33 8.507 9.944 -3.626 230 H GLU 34 H GLU 34 0.625 7.972 -7.259 231 HA GLU 34 HA GLU 34 -0.840 10.105 -6.079 232 HB2 GLU 34 1HB GLU 34 -1.095 8.845 -8.846 233 HB3 GLU 34 2HB GLU 34 -1.847 10.370 -8.350 234 HG2 GLU 34 1HG GLU 34 0.445 11.202 -7.704 235 HG3 GLU 34 2HG GLU 34 1.140 9.786 -8.483 236 H LEU 35 H LEU 35 -1.991 6.861 -6.883 237 HA LEU 35 HA LEU 35 -4.799 7.433 -6.526 238 HB2 LEU 35 1HB LEU 35 -3.620 5.379 -7.654 239 HB3 LEU 35 2HB LEU 35 -3.458 4.768 -6.005 240 HG LEU 35 HG LEU 35 -6.025 5.116 -5.861 241 HD11 LEU 35 1HD1 LEU 35 -6.308 6.427 -7.926 242 HD12 LEU 35 2HD1 LEU 35 -7.225 4.915 -7.990 243 HD13 LEU 35 3HD1 LEU 35 -5.694 5.057 -8.881 244 HD21 LEU 35 1HD2 LEU 35 -6.421 2.900 -6.836 245 HD22 LEU 35 2HD2 LEU 35 -4.940 2.936 -5.872 246 HD23 LEU 35 3HD2 LEU 35 -4.837 2.973 -7.650 247 H PHE 36 H PHE 36 -2.194 6.693 -4.248 248 HA PHE 36 HA PHE 36 -4.060 6.171 -2.015 249 HB2 PHE 36 1HB PHE 36 -1.123 5.798 -2.504 250 HB3 PHE 36 2HB PHE 36 -1.725 5.801 -0.893 251 HD1 PHE 36 1HD PHE 36 -2.456 3.815 0.102 252 HD2 PHE 36 2HD PHE 36 -2.394 4.083 -4.186 253 HE1 PHE 36 1HE PHE 36 -3.151 1.434 -0.056 254 HE2 PHE 36 2HE PHE 36 -3.052 1.697 -4.352 255 HZ PHE 36 HZ PHE 36 -3.477 0.381 -2.285 256 H LEU 37 H LEU 37 -2.371 8.899 -3.266 257 HA LEU 37 HA LEU 37 -2.047 10.499 -0.962 258 HB2 LEU 37 1HB LEU 37 -2.918 11.157 -3.800 259 HB3 LEU 37 2HB LEU 37 -2.615 12.396 -2.593 260 HG LEU 37 HG LEU 37 -0.535 10.443 -3.613 261 HD11 LEU 37 1HD1 LEU 37 -0.834 13.443 -4.017 262 HD12 LEU 37 2HD1 LEU 37 -1.231 12.212 -5.230 263 HD13 LEU 37 3HD1 LEU 37 0.445 12.402 -4.682 264 HD21 LEU 37 1HD2 LEU 37 1.062 11.903 -2.372 265 HD22 LEU 37 2HD2 LEU 37 -0.055 11.044 -1.303 266 HD23 LEU 37 3HD2 LEU 37 -0.325 12.762 -1.653 267 H GLN 38 H GLN 38 -4.979 9.309 -2.248 268 HA GLN 38 HA GLN 38 -6.881 11.164 -1.144 269 HB2 GLN 38 1HB GLN 38 -7.202 8.159 -1.578 270 HB3 GLN 38 2HB GLN 38 -8.495 9.357 -1.421 271 HG2 GLN 38 1HG GLN 38 -7.635 10.476 -3.516 272 HG3 GLN 38 2HG GLN 38 -6.450 9.160 -3.647 273 HE21 GLN 38 1HE2 GLN 38 -7.141 7.090 -4.338 274 HE22 GLN 38 2HE2 GLN 38 -8.779 6.816 -4.953 275 H ALA 39 H ALA 39 -5.105 8.428 0.271 276 HA ALA 39 HA ALA 39 -6.670 8.419 2.753 277 HB1 ALA 39 1HB ALA 39 -5.668 6.348 1.888 278 HB2 ALA 39 2HB ALA 39 -4.050 7.066 1.979 279 HB3 ALA 39 3HB ALA 39 -4.959 6.762 3.464 280 H GLY 40 H GLY 40 -3.386 9.468 1.795 281 HA2 GLY 40 1HA GLY 40 -3.305 11.750 3.517 282 HA3 GLY 40 2HA GLY 40 -2.491 10.392 4.298 283 HA PRO 41 HA PRO 41 0.489 12.655 1.467 284 HB2 PRO 41 1HB PRO 41 2.479 13.137 3.297 285 HB3 PRO 41 2HB PRO 41 1.061 14.202 3.060 286 HG2 PRO 41 1HG PRO 41 1.408 12.017 5.136 287 HG3 PRO 41 2HG PRO 41 0.878 13.708 5.395 288 HD2 PRO 41 1HD PRO 41 -0.876 11.644 5.169 289 HD3 PRO 41 2HD PRO 41 -1.269 13.227 4.437 290 H VAL 42 H VAL 42 1.112 11.035 0.205 291 HA VAL 42 HA VAL 42 2.624 8.700 1.170 292 HB VAL 42 HB VAL 42 1.902 9.532 -1.656 293 HG11 VAL 42 1HG1 VAL 42 2.509 7.154 -2.192 294 HG12 VAL 42 2HG1 VAL 42 3.896 8.116 -1.707 295 HG13 VAL 42 3HG1 VAL 42 3.162 6.980 -0.556 296 HG21 VAL 42 1HG2 VAL 42 0.706 7.379 0.132 297 HG22 VAL 42 2HG2 VAL 42 -0.095 8.899 -0.325 298 HG23 VAL 42 3HG2 VAL 42 0.273 7.698 -1.563 299 H VAL 43 H VAL 43 4.705 8.471 1.132 300 HA VAL 43 HA VAL 43 6.453 10.788 0.442 301 HB VAL 43 HB VAL 43 7.034 8.447 2.296 302 HG11 VAL 43 1HG1 VAL 43 9.022 9.760 1.690 303 HG12 VAL 43 2HG1 VAL 43 8.185 11.268 2.146 304 HG13 VAL 43 3HG1 VAL 43 8.585 10.057 3.378 305 HG21 VAL 43 1HG2 VAL 43 5.031 9.512 3.167 306 HG22 VAL 43 2HG2 VAL 43 6.415 9.932 4.173 307 HG23 VAL 43 3HG2 VAL 43 5.771 11.124 3.016 308 H ASN 44 H ASN 44 6.038 7.328 -0.097 309 HA ASN 44 HA ASN 44 7.930 7.214 -2.311 310 HB2 ASN 44 1HB ASN 44 9.508 7.138 -0.472 311 HB3 ASN 44 2HB ASN 44 8.526 6.002 0.414 312 HD21 ASN 44 1HD2 ASN 44 9.771 4.216 0.604 313 HD22 ASN 44 2HD2 ASN 44 10.567 3.428 -0.766 314 H THR 45 H THR 45 7.891 5.059 -3.356 315 HA THR 45 HA THR 45 5.822 3.131 -2.477 316 HB THR 45 HB THR 45 5.276 2.782 -4.979 317 HG1 THR 45 1HG THR 45 5.252 4.744 -6.128 318 HG21 THR 45 1HG2 THR 45 3.679 3.605 -3.299 319 HG22 THR 45 2HG2 THR 45 3.419 4.222 -4.924 320 HG23 THR 45 3HG2 THR 45 4.163 5.277 -3.685 321 H HIS 46 H HIS 46 6.113 0.981 -3.249 322 HA HIS 46 HA HIS 46 8.645 0.390 -4.680 323 HB2 HIS 46 1HB HIS 46 9.026 0.367 -2.120 324 HB3 HIS 46 2HB HIS 46 7.905 -0.968 -2.064 325 HD2 HIS 46 2HD HIS 46 11.029 -0.263 -4.326 326 HE1 HIS 46 1HE HIS 46 11.304 -4.265 -2.880 327 HE2 HIS 46 2HE HIS 46 12.428 -2.495 -4.323 328 H MET 47 H MET 47 8.304 -1.159 -6.204 329 HA MET 47 HA MET 47 6.282 -3.314 -5.660 330 HB2 MET 47 1HB MET 47 6.567 -1.699 -8.205 331 HB3 MET 47 2HB MET 47 5.824 -3.300 -8.149 332 HG2 MET 47 1HG MET 47 4.120 -2.583 -6.633 333 HG3 MET 47 2HG MET 47 4.896 -1.021 -6.377 334 HE1 MET 47 1HE MET 47 2.984 -3.334 -8.759 335 HE2 MET 47 2HE MET 47 2.603 -2.304 -10.165 336 HE3 MET 47 3HE MET 47 4.266 -2.854 -9.897 337 HA PRO 48 HA PRO 48 10.290 -5.328 -6.276 338 HB2 PRO 48 1HB PRO 48 8.490 -7.676 -5.617 339 HB3 PRO 48 2HB PRO 48 10.192 -7.387 -5.122 340 HG2 PRO 48 1HG PRO 48 8.226 -6.795 -3.392 341 HG3 PRO 48 2HG PRO 48 9.524 -5.600 -3.654 342 HD2 PRO 48 1HD PRO 48 6.747 -5.643 -4.872 343 HD3 PRO 48 2HD PRO 48 7.633 -4.265 -4.139 344 H LYS 49 H LYS 49 11.183 -5.994 -8.100 345 HA LYS 49 HA LYS 49 9.468 -6.750 -10.398 346 HB2 LYS 49 1HB LYS 49 12.389 -5.930 -10.400 347 HB3 LYS 49 2HB LYS 49 11.347 -6.141 -11.803 348 HG2 LYS 49 1HG LYS 49 11.143 -3.978 -9.680 349 HG3 LYS 49 2HG LYS 49 11.649 -3.790 -11.359 350 HD2 LYS 49 1HD LYS 49 9.340 -4.501 -12.088 351 HD3 LYS 49 2HD LYS 49 8.842 -4.499 -10.392 352 HE2 LYS 49 1HE LYS 49 9.812 -2.104 -12.016 353 HE3 LYS 49 2HE LYS 49 8.162 -2.433 -11.481 354 HZ1 LYS 49 1HZ LYS 49 10.463 -1.676 -9.785 355 HZ2 LYS 49 2HZ LYS 49 9.120 -2.352 -9.145 356 HZ3 LYS 49 3HZ LYS 49 9.016 -0.913 -9.911 357 H ASP 50 H ASP 50 9.830 -8.405 -11.734 358 HA ASP 50 HA ASP 50 10.655 -10.860 -10.471 359 HB2 ASP 50 1HB ASP 50 8.591 -10.582 -11.810 360 HB3 ASP 50 2HB ASP 50 9.563 -10.243 -13.242 361 H ARG 51 H ARG 51 12.158 -12.395 -11.147 362 HA ARG 51 HA ARG 51 14.577 -11.262 -12.383 363 HB2 ARG 51 1HB ARG 51 15.778 -13.053 -11.373 364 HB3 ARG 51 2HB ARG 51 14.709 -12.304 -10.193 365 HG2 ARG 51 1HG ARG 51 13.086 -14.204 -10.480 366 HG3 ARG 51 2HG ARG 51 14.178 -14.924 -11.670 367 HD2 ARG 51 1HD ARG 51 14.518 -16.043 -9.605 368 HD3 ARG 51 2HD ARG 51 15.959 -15.069 -9.939 369 HE ARG 51 HE ARG 51 14.159 -13.554 -8.305 370 HH11 ARG 51 1HH1 ARG 51 16.261 -16.334 -7.962 371 HH12 ARG 51 2HH1 ARG 51 16.487 -16.068 -6.254 372 HH21 ARG 51 1HH2 ARG 51 14.496 -13.267 -6.125 373 HH22 ARG 51 2HH2 ARG 51 15.510 -14.375 -5.250 374 H VAL 52 H VAL 52 12.093 -12.565 -13.935 375 HA VAL 52 HA VAL 52 13.801 -13.996 -15.949 376 HB VAL 52 HB VAL 52 10.996 -14.842 -15.111 377 HG11 VAL 52 1HG1 VAL 52 11.502 -16.867 -16.451 378 HG12 VAL 52 2HG1 VAL 52 11.515 -15.413 -17.447 379 HG13 VAL 52 3HG1 VAL 52 13.053 -16.151 -16.944 380 HG21 VAL 52 1HG2 VAL 52 12.486 -15.423 -13.282 381 HG22 VAL 52 2HG2 VAL 52 12.104 -16.883 -14.185 382 HG23 VAL 52 3HG2 VAL 52 13.685 -16.099 -14.414 383 H THR 53 H THR 53 10.835 -12.147 -15.288 384 HA THR 53 HA THR 53 10.562 -11.488 -18.185 385 HB THR 53 HB THR 53 8.225 -10.985 -17.692 386 HG1 THR 53 1HG THR 53 8.768 -11.953 -15.084 387 HG21 THR 53 1HG2 THR 53 7.375 -13.211 -17.224 388 HG22 THR 53 2HG2 THR 53 8.939 -13.725 -16.555 389 HG23 THR 53 3HG2 THR 53 8.792 -13.331 -18.283 390 H GLY 54 H GLY 54 11.242 -10.138 -15.081 391 HA2 GLY 54 1HA GLY 54 11.909 -8.058 -14.463 392 HA3 GLY 54 2HA GLY 54 11.798 -7.557 -16.150 393 H GLN 55 H GLN 55 8.781 -8.740 -15.344 394 HA GLN 55 HA GLN 55 7.525 -6.113 -14.961 395 HB2 GLN 55 1HB GLN 55 6.393 -8.947 -14.911 396 HB3 GLN 55 2HB GLN 55 5.436 -7.467 -14.910 397 HG2 GLN 55 1HG GLN 55 7.264 -8.402 -17.171 398 HG3 GLN 55 2HG GLN 55 5.509 -8.491 -17.139 399 HE21 GLN 55 1HE2 GLN 55 4.287 -6.354 -17.029 400 HE22 GLN 55 2HE2 GLN 55 5.054 -4.966 -17.786 401 H HIS 56 H HIS 56 5.795 -5.962 -13.087 402 HA HIS 56 HA HIS 56 7.123 -6.532 -10.536 403 HB2 HIS 56 1HB HIS 56 5.356 -5.428 -9.468 404 HB3 HIS 56 2HB HIS 56 5.744 -4.489 -10.902 405 HD2 HIS 56 2HD HIS 56 3.720 -3.967 -12.527 406 HE1 HIS 56 1HE HIS 56 0.775 -6.446 -10.708 407 HE2 HIS 56 2HE HIS 56 1.159 -4.629 -12.419 408 H GLN 57 H GLN 57 6.371 -7.928 -8.883 409 HA GLN 57 HA GLN 57 5.334 -10.447 -9.983 410 HB2 GLN 57 1HB GLN 57 6.697 -9.766 -7.366 411 HB3 GLN 57 2HB GLN 57 6.091 -11.381 -7.772 412 HG2 GLN 57 1HG GLN 57 7.458 -11.333 -9.874 413 HG3 GLN 57 2HG GLN 57 8.228 -9.848 -9.300 414 HE21 GLN 57 1HE2 GLN 57 9.254 -12.758 -9.795 415 HE22 GLN 57 2HE2 GLN 57 10.038 -13.129 -8.259 416 H GLY 58 H GLY 58 3.355 -8.262 -9.547 417 HA2 GLY 58 1HA GLY 58 1.068 -8.447 -9.271 418 HA3 GLY 58 2HA GLY 58 1.268 -9.993 -8.452 419 H TYR 59 H TYR 59 3.244 -7.702 -6.924 420 HA TYR 59 HA TYR 59 1.149 -6.562 -5.209 421 HB2 TYR 59 1HB TYR 59 2.061 -7.340 -3.153 422 HB3 TYR 59 2HB TYR 59 1.720 -8.732 -4.157 423 HD1 TYR 59 1HD TYR 59 3.618 -9.976 -5.267 424 HD2 TYR 59 2HD TYR 59 4.291 -6.839 -2.381 425 HE1 TYR 59 1HE TYR 59 5.954 -10.767 -4.960 426 HE2 TYR 59 2HE TYR 59 6.600 -7.689 -2.008 427 HH TYR 59 HH TYR 59 7.929 -10.478 -3.829 428 H GLY 60 H GLY 60 1.925 -4.936 -3.747 429 HA2 GLY 60 1HA GLY 60 4.520 -3.629 -4.318 430 HA3 GLY 60 2HA GLY 60 3.046 -2.768 -4.765 431 H PHE 61 H PHE 61 4.436 -1.391 -3.182 432 HA PHE 61 HA PHE 61 3.083 -1.453 -0.556 433 HB2 PHE 61 1HB PHE 61 6.035 -0.905 -1.001 434 HB3 PHE 61 2HB PHE 61 5.201 -0.814 0.521 435 HD1 PHE 61 1HD PHE 61 6.756 -3.063 -1.927 436 HD2 PHE 61 2HD PHE 61 4.522 -2.841 1.754 437 HE1 PHE 61 1HE PHE 61 7.449 -5.377 -1.367 438 HE2 PHE 61 2HE PHE 61 5.217 -5.166 2.312 439 HZ PHE 61 HZ PHE 61 6.681 -6.433 0.752 440 H VAL 62 H VAL 62 2.779 0.568 0.416 441 HA VAL 62 HA VAL 62 3.674 3.010 -1.062 442 HB VAL 62 HB VAL 62 0.885 2.769 0.113 443 HG11 VAL 62 1HG1 VAL 62 1.803 5.041 0.018 444 HG12 VAL 62 2HG1 VAL 62 2.199 4.815 -1.706 445 HG13 VAL 62 3HG1 VAL 62 0.515 4.830 -1.162 446 HG21 VAL 62 1HG2 VAL 62 0.899 1.264 -1.786 447 HG22 VAL 62 2HG2 VAL 62 0.088 2.757 -2.253 448 HG23 VAL 62 3HG2 VAL 62 1.762 2.467 -2.769 449 H GLU 63 H GLU 63 4.742 4.364 0.214 450 HA GLU 63 HA GLU 63 4.779 3.886 3.148 451 HB2 GLU 63 1HB GLU 63 6.848 3.743 1.770 452 HB3 GLU 63 2HB GLU 63 6.630 5.449 1.344 453 HG2 GLU 63 1HG GLU 63 6.814 6.073 3.732 454 HG3 GLU 63 2HG GLU 63 7.092 4.384 4.155 455 H PHE 64 H PHE 64 3.667 5.219 4.440 456 HA PHE 64 HA PHE 64 2.887 7.931 3.501 457 HB2 PHE 64 1HB PHE 64 1.808 6.101 5.667 458 HB3 PHE 64 2HB PHE 64 1.368 7.792 5.522 459 HD1 PHE 64 1HD PHE 64 1.017 4.463 3.962 460 HD2 PHE 64 2HD PHE 64 0.108 8.664 3.640 461 HE1 PHE 64 1HE PHE 64 -0.688 3.965 2.213 462 HE2 PHE 64 2HE PHE 64 -1.595 8.157 1.891 463 HZ PHE 64 HZ PHE 64 -2.012 5.833 1.207 464 H LEU 65 H LEU 65 3.010 9.709 4.921 465 HA LEU 65 HA LEU 65 5.493 10.071 6.210 466 HB2 LEU 65 1HB LEU 65 3.825 11.797 5.254 467 HB3 LEU 65 2HB LEU 65 2.944 11.614 6.778 468 HG LEU 65 HG LEU 65 5.125 12.279 7.962 469 HD11 LEU 65 1HD1 LEU 65 5.842 13.155 5.126 470 HD12 LEU 65 2HD1 LEU 65 6.699 11.925 6.082 471 HD13 LEU 65 3HD1 LEU 65 6.717 13.613 6.603 472 HD21 LEU 65 1HD2 LEU 65 3.808 14.287 6.077 473 HD22 LEU 65 2HD2 LEU 65 4.749 14.686 7.534 474 HD23 LEU 65 3HD2 LEU 65 3.214 13.818 7.687 475 H SER 66 H SER 66 2.402 9.009 7.570 476 HA SER 66 HA SER 66 3.723 8.362 10.153 477 HB2 SER 66 1HB SER 66 1.082 9.856 9.982 478 HB3 SER 66 2HB SER 66 1.945 9.363 11.443 479 HG SER 66 HG SER 66 2.274 11.578 10.937 480 H GLU 67 H GLU 67 2.631 6.806 11.419 481 HA GLU 67 HA GLU 67 1.518 4.607 10.019 482 HB2 GLU 67 1HB GLU 67 2.748 4.415 12.076 483 HB3 GLU 67 2HB GLU 67 1.544 5.374 12.955 484 HG2 GLU 67 1HG GLU 67 -0.110 3.606 12.748 485 HG3 GLU 67 2HG GLU 67 0.924 2.703 11.640 486 H GLU 68 H GLU 68 -0.174 7.256 11.725 487 HA GLU 68 HA GLU 68 -2.784 6.051 11.566 488 HB2 GLU 68 1HB GLU 68 -3.633 8.222 12.203 489 HB3 GLU 68 2HB GLU 68 -2.228 7.798 13.179 490 HG2 GLU 68 1HG GLU 68 -0.809 9.280 11.730 491 HG3 GLU 68 2HG GLU 68 -2.250 9.736 10.819 492 H ASP 69 H ASP 69 -0.887 7.693 9.148 493 HA ASP 69 HA ASP 69 -3.187 8.134 7.338 494 HB2 ASP 69 1HB ASP 69 -0.192 8.505 7.013 495 HB3 ASP 69 2HB ASP 69 -1.365 8.824 5.748 496 H ALA 70 H ALA 70 -0.630 5.716 7.903 497 HA ALA 70 HA ALA 70 -1.259 4.150 5.534 498 HB1 ALA 70 1HB ALA 70 0.137 3.401 8.162 499 HB2 ALA 70 2HB ALA 70 0.123 2.420 6.694 500 HB3 ALA 70 3HB ALA 70 0.932 3.995 6.693 501 H ASP 71 H ASP 71 -2.301 4.025 8.982 502 HA ASP 71 HA ASP 71 -4.144 1.871 8.777 503 HB2 ASP 71 1HB ASP 71 -3.328 2.934 10.875 504 HB3 ASP 71 2HB ASP 71 -4.297 4.363 10.518 505 H TYR 72 H TYR 72 -4.506 5.232 7.709 506 HA TYR 72 HA TYR 72 -7.367 5.009 7.195 507 HB2 TYR 72 1HB TYR 72 -5.991 7.142 7.587 508 HB3 TYR 72 2HB TYR 72 -5.476 6.993 5.915 509 HD1 TYR 72 1HD TYR 72 -7.444 6.740 4.125 510 HD2 TYR 72 2HD TYR 72 -7.967 8.271 8.124 511 HE1 TYR 72 1HE TYR 72 -9.500 7.924 3.400 512 HE2 TYR 72 2HE TYR 72 -10.051 9.426 7.404 513 HH TYR 72 HH TYR 72 -11.478 9.878 5.668 514 H ALA 73 H ALA 73 -4.386 4.519 5.205 515 HA ALA 73 HA ALA 73 -5.854 4.193 2.731 516 HB1 ALA 73 1HB ALA 73 -3.678 3.374 1.905 517 HB2 ALA 73 2HB ALA 73 -3.504 4.883 2.826 518 HB3 ALA 73 3HB ALA 73 -3.046 3.337 3.565 519 H ILE 74 H ILE 74 -4.681 1.885 5.185 520 HA ILE 74 HA ILE 74 -5.543 -0.537 3.925 521 HB ILE 74 HB ILE 74 -5.400 0.244 6.870 522 HG12 ILE 74 1HG1 ILE 74 -3.408 -1.384 5.235 523 HG13 ILE 74 2HG1 ILE 74 -3.274 0.359 5.431 524 HG21 ILE 74 1HG2 ILE 74 -5.263 -2.250 7.277 525 HG22 ILE 74 2HG2 ILE 74 -6.824 -1.737 6.665 526 HG23 ILE 74 3HG2 ILE 74 -5.663 -2.502 5.564 527 HD11 ILE 74 1HD1 ILE 74 -3.087 0.122 7.864 528 HD12 ILE 74 2HD1 ILE 74 -3.162 -1.651 7.699 529 HD13 ILE 74 3HD1 ILE 74 -1.823 -0.744 6.979 530 H LYS 75 H LYS 75 -7.312 1.883 5.800 531 HA LYS 75 HA LYS 75 -9.745 0.395 6.099 532 HB2 LYS 75 1HB LYS 75 -8.837 2.225 7.499 533 HB3 LYS 75 2HB LYS 75 -9.295 3.414 6.264 534 HG2 LYS 75 1HG LYS 75 -11.631 2.876 6.537 535 HG3 LYS 75 2HG LYS 75 -11.229 1.513 7.576 536 HD2 LYS 75 1HD LYS 75 -10.810 4.482 8.212 537 HD3 LYS 75 2HD LYS 75 -12.057 3.435 8.866 538 HE2 LYS 75 1HE LYS 75 -10.612 3.446 10.631 539 HE3 LYS 75 2HE LYS 75 -10.079 1.987 9.802 540 HZ1 LYS 75 1HZ LYS 75 -8.194 3.429 10.469 541 HZ2 LYS 75 2HZ LYS 75 -8.784 4.665 9.584 542 HZ3 LYS 75 3HZ LYS 75 -8.223 3.289 8.866 543 H ILE 76 H ILE 76 -8.757 2.806 3.670 544 HA ILE 76 HA ILE 76 -11.336 2.498 2.277 545 HB ILE 76 HB ILE 76 -10.569 4.266 0.805 546 HG12 ILE 76 1HG1 ILE 76 -8.168 4.731 2.598 547 HG13 ILE 76 2HG1 ILE 76 -8.030 3.768 1.150 548 HG21 ILE 76 1HG2 ILE 76 -10.236 4.989 3.752 549 HG22 ILE 76 2HG2 ILE 76 -10.804 6.047 2.447 550 HG23 ILE 76 3HG2 ILE 76 -11.802 4.683 2.962 551 HD11 ILE 76 1HD1 ILE 76 -7.397 5.982 0.575 552 HD12 ILE 76 2HD1 ILE 76 -8.988 5.721 -0.149 553 HD13 ILE 76 3HD1 ILE 76 -8.835 6.676 1.351 554 H MET 77 H MET 77 -7.962 1.485 1.562 555 HA MET 77 HA MET 77 -8.764 0.811 -1.187 556 HB2 MET 77 1HB MET 77 -6.102 0.913 0.167 557 HB3 MET 77 2HB MET 77 -6.297 0.356 -1.484 558 HG2 MET 77 1HG MET 77 -7.323 3.066 -0.634 559 HG3 MET 77 2HG MET 77 -5.655 2.822 -1.085 560 HE1 MET 77 1HE MET 77 -6.824 4.940 -2.336 561 HE2 MET 77 2HE MET 77 -5.519 4.357 -3.407 562 HE3 MET 77 3HE MET 77 -7.121 4.751 -4.069 563 H ASP 78 H ASP 78 -9.107 -0.909 1.502 564 HA ASP 78 HA ASP 78 -8.134 -3.484 0.439 565 HB2 ASP 78 1HB ASP 78 -7.915 -3.005 2.853 566 HB3 ASP 78 2HB ASP 78 -9.679 -2.938 2.994 567 H MET 79 H MET 79 -9.359 -5.132 -0.355 568 HA MET 79 HA MET 79 -10.925 -6.075 -1.605 569 HB2 MET 79 1HB MET 79 -12.019 -6.013 0.722 570 HB3 MET 79 2HB MET 79 -13.127 -4.825 0.033 571 HG2 MET 79 1HG MET 79 -13.819 -6.453 -1.680 572 HG3 MET 79 2HG MET 79 -12.622 -7.608 -1.103 573 HE1 MET 79 1HE MET 79 -12.860 -7.642 2.063 574 HE2 MET 79 2HE MET 79 -14.083 -8.915 2.237 575 HE3 MET 79 3HE MET 79 -12.816 -9.069 1.002 576 H ILE 80 H ILE 80 -10.196 -3.114 -2.132 577 HA ILE 80 HA ILE 80 -12.221 -2.264 -4.063 578 HB ILE 80 HB ILE 80 -9.623 -1.289 -2.989 579 HG12 ILE 80 1HG1 ILE 80 -12.326 -0.101 -3.660 580 HG13 ILE 80 2HG1 ILE 80 -11.616 -0.413 -2.077 581 HG21 ILE 80 1HG2 ILE 80 -10.404 -0.276 -5.718 582 HG22 ILE 80 2HG2 ILE 80 -9.081 0.278 -4.650 583 HG23 ILE 80 3HG2 ILE 80 -8.998 -1.320 -5.343 584 HD11 ILE 80 1HD1 ILE 80 -11.531 1.945 -2.411 585 HD12 ILE 80 2HD1 ILE 80 -9.869 1.391 -2.686 586 HD13 ILE 80 3HD1 ILE 80 -10.909 1.780 -4.061 587 H LYS 81 H LYS 81 -11.814 -2.128 -6.366 588 HA LYS 81 HA LYS 81 -10.265 -4.452 -7.437 589 HB2 LYS 81 1HB LYS 81 -12.926 -3.276 -8.303 590 HB3 LYS 81 2HB LYS 81 -12.036 -4.537 -9.168 591 HG2 LYS 81 1HG LYS 81 -12.165 -5.975 -7.094 592 HG3 LYS 81 2HG LYS 81 -13.182 -4.736 -6.350 593 HD2 LYS 81 1HD LYS 81 -14.680 -6.371 -7.166 594 HD3 LYS 81 2HD LYS 81 -14.781 -5.026 -8.313 595 HE2 LYS 81 1HE LYS 81 -13.111 -6.266 -9.773 596 HE3 LYS 81 2HE LYS 81 -13.213 -7.623 -8.647 597 HZ1 LYS 81 1HZ LYS 81 -15.592 -7.786 -9.149 598 HZ2 LYS 81 2HZ LYS 81 -14.726 -7.918 -10.526 599 HZ3 LYS 81 3HZ LYS 81 -15.508 -6.527 -10.188 600 H LEU 82 H LEU 82 -8.466 -2.883 -7.508 601 HA LEU 82 HA LEU 82 -8.400 -0.701 -9.356 602 HB2 LEU 82 1HB LEU 82 -6.747 -1.149 -7.531 603 HB3 LEU 82 2HB LEU 82 -6.137 -2.533 -8.436 604 HG LEU 82 HG LEU 82 -5.302 -1.072 -10.207 605 HD11 LEU 82 1HD1 LEU 82 -5.358 1.434 -9.866 606 HD12 LEU 82 2HD1 LEU 82 -6.564 1.183 -8.590 607 HD13 LEU 82 3HD1 LEU 82 -6.923 0.739 -10.274 608 HD21 LEU 82 1HD2 LEU 82 -3.902 -1.461 -8.193 609 HD22 LEU 82 2HD2 LEU 82 -4.586 -0.007 -7.437 610 HD23 LEU 82 3HD2 LEU 82 -3.593 0.135 -8.900 611 H TYR 83 H TYR 83 -8.176 -0.638 -11.614 612 HA TYR 83 HA TYR 83 -8.847 -1.477 -13.624 613 HB2 TYR 83 1HB TYR 83 -6.406 -3.206 -13.144 614 HB3 TYR 83 2HB TYR 83 -7.139 -2.897 -14.708 615 HD1 TYR 83 1HD TYR 83 -7.502 -0.329 -15.336 616 HD2 TYR 83 2HD TYR 83 -4.573 -1.851 -12.559 617 HE1 TYR 83 1HE TYR 83 -6.095 1.687 -15.717 618 HE2 TYR 83 2HE TYR 83 -3.161 0.164 -12.957 619 HH TYR 83 HH TYR 83 -4.150 2.777 -15.199 620 H GLY 84 H GLY 84 -10.396 -2.894 -11.527 621 HA2 GLY 84 1HA GLY 84 -12.162 -4.347 -11.723 622 HA3 GLY 84 2HA GLY 84 -11.605 -4.827 -13.321 623 H LYS 85 H LYS 85 -9.431 -5.225 -10.581 624 HA LYS 85 HA LYS 85 -9.931 -8.109 -10.329 625 HB2 LYS 85 1HB LYS 85 -7.278 -6.761 -10.932 626 HB3 LYS 85 2HB LYS 85 -7.401 -8.379 -10.224 627 HG2 LYS 85 1HG LYS 85 -8.650 -9.209 -12.154 628 HG3 LYS 85 2HG LYS 85 -8.691 -7.588 -12.866 629 HD2 LYS 85 1HD LYS 85 -6.202 -7.587 -12.974 630 HD3 LYS 85 2HD LYS 85 -6.185 -9.250 -12.350 631 HE2 LYS 85 1HE LYS 85 -7.472 -10.023 -14.305 632 HE3 LYS 85 2HE LYS 85 -7.631 -8.358 -14.885 633 HZ1 LYS 85 1HZ LYS 85 -5.208 -8.264 -15.106 634 HZ2 LYS 85 2HZ LYS 85 -5.827 -9.464 -16.037 635 HZ3 LYS 85 3HZ LYS 85 -5.065 -9.830 -14.637 636 HA PRO 86 HA PRO 86 -10.079 -6.358 -6.282 637 HB2 PRO 86 1HB PRO 86 -10.447 -8.636 -4.758 638 HB3 PRO 86 2HB PRO 86 -11.702 -7.840 -5.756 639 HG2 PRO 86 1HG PRO 86 -9.967 -10.215 -6.462 640 HG3 PRO 86 2HG PRO 86 -11.729 -10.005 -6.722 641 HD2 PRO 86 1HD PRO 86 -9.925 -9.585 -8.715 642 HD3 PRO 86 2HD PRO 86 -11.351 -8.508 -8.566 643 H ILE 87 H ILE 87 -8.672 -5.584 -4.907 644 HA ILE 87 HA ILE 87 -6.088 -6.979 -4.433 645 HB ILE 87 HB ILE 87 -5.219 -4.785 -3.701 646 HG12 ILE 87 1HG1 ILE 87 -7.619 -3.478 -5.006 647 HG13 ILE 87 2HG1 ILE 87 -7.569 -3.766 -3.260 648 HG21 ILE 87 1HG2 ILE 87 -4.801 -5.662 -5.933 649 HG22 ILE 87 2HG2 ILE 87 -6.290 -4.920 -6.553 650 HG23 ILE 87 3HG2 ILE 87 -4.946 -3.906 -5.996 651 HD11 ILE 87 1HD1 ILE 87 -5.562 -2.093 -4.837 652 HD12 ILE 87 2HD1 ILE 87 -6.862 -1.485 -3.805 653 HD13 ILE 87 3HD1 ILE 87 -5.525 -2.397 -3.083 654 H ARG 88 H ARG 88 -5.080 -6.745 -2.345 655 HA ARG 88 HA ARG 88 -6.912 -6.316 -0.029 656 HB2 ARG 88 1HB ARG 88 -4.922 -8.603 -0.325 657 HB3 ARG 88 2HB ARG 88 -5.711 -8.162 1.187 658 HG2 ARG 88 1HG ARG 88 -7.152 -9.111 -1.326 659 HG3 ARG 88 2HG ARG 88 -6.783 -10.094 0.089 660 HD2 ARG 88 1HD ARG 88 -8.179 -8.635 1.510 661 HD3 ARG 88 2HD ARG 88 -8.579 -7.621 0.129 662 HE ARG 88 HE ARG 88 -9.635 -10.281 0.755 663 HH11 ARG 88 1HH1 ARG 88 -9.318 -7.908 -1.831 664 HH12 ARG 88 2HH1 ARG 88 -10.645 -8.614 -2.723 665 HH21 ARG 88 1HH2 ARG 88 -11.286 -11.109 -0.462 666 HH22 ARG 88 2HH2 ARG 88 -11.729 -10.367 -1.966 667 H VAL 89 H VAL 89 -6.101 -5.263 1.679 668 HA VAL 89 HA VAL 89 -3.318 -4.222 1.454 669 HB VAL 89 HB VAL 89 -5.748 -2.501 2.042 670 HG11 VAL 89 1HG1 VAL 89 -2.851 -1.742 1.462 671 HG12 VAL 89 2HG1 VAL 89 -4.199 -0.620 1.742 672 HG13 VAL 89 3HG1 VAL 89 -3.637 -1.661 3.048 673 HG21 VAL 89 1HG2 VAL 89 -4.065 -2.774 -0.487 674 HG22 VAL 89 2HG2 VAL 89 -5.797 -3.130 -0.334 675 HG23 VAL 89 3HG2 VAL 89 -5.227 -1.468 -0.198 676 H ASN 90 H ASN 90 -2.199 -3.940 3.274 677 HA ASN 90 HA ASN 90 -3.353 -3.820 5.956 678 HB2 ASN 90 1HB ASN 90 -2.189 -5.918 6.744 679 HB3 ASN 90 2HB ASN 90 -3.524 -6.222 5.653 680 HD21 ASN 90 1HD2 ASN 90 0.108 -6.124 5.785 681 HD22 ASN 90 2HD2 ASN 90 0.244 -7.228 4.431 682 H LYS 91 H LYS 91 -1.485 -3.899 7.624 683 HA LYS 91 HA LYS 91 0.560 -1.964 7.001 684 HB2 LYS 91 1HB LYS 91 0.559 -4.092 9.195 685 HB3 LYS 91 2HB LYS 91 1.549 -2.643 9.172 686 HG2 LYS 91 1HG LYS 91 -1.500 -2.629 9.291 687 HG3 LYS 91 2HG LYS 91 -0.478 -2.638 10.705 688 HD2 LYS 91 1HD LYS 91 -0.225 -0.483 8.563 689 HD3 LYS 91 2HD LYS 91 -1.411 -0.375 9.851 690 HE2 LYS 91 1HE LYS 91 1.623 -0.594 10.228 691 HE3 LYS 91 2HE LYS 91 0.695 0.901 10.280 692 HZ1 LYS 91 1HZ LYS 91 -0.560 -0.078 12.180 693 HZ2 LYS 91 2HZ LYS 91 1.013 0.184 12.508 694 HZ3 LYS 91 3HZ LYS 91 0.488 -1.338 12.211 695 H ALA 92 H ALA 92 2.669 -2.197 6.285 696 HA ALA 92 HA ALA 92 3.430 -4.730 5.082 697 HB1 ALA 92 1HB ALA 92 3.909 -2.462 4.143 698 HB2 ALA 92 2HB ALA 92 5.081 -2.213 5.458 699 HB3 ALA 92 3HB ALA 92 5.320 -3.510 4.264 700 H SER 93 H SER 93 3.628 -3.643 8.276 701 HA SER 93 HA SER 93 5.679 -5.663 9.030 702 HB2 SER 93 1HB SER 93 5.835 -4.428 11.142 703 HB3 SER 93 2HB SER 93 6.157 -3.374 9.762 704 HG SER 93 HG SER 93 4.727 -2.517 11.396 705 H ALA 94 H ALA 94 2.549 -5.963 8.490 706 HA ALA 94 HA ALA 94 1.136 -6.264 10.840 707 HB1 ALA 94 1HB ALA 94 -0.374 -7.723 9.505 708 HB2 ALA 94 2HB ALA 94 0.129 -6.287 8.607 709 HB3 ALA 94 3HB ALA 94 0.879 -7.865 8.255 710 H HIS 95 H HIS 95 3.465 -8.604 9.630 711 HA HIS 95 HA HIS 95 2.689 -10.914 11.105 712 HB2 HIS 95 1HB HIS 95 5.519 -10.102 10.359 713 HB3 HIS 95 2HB HIS 95 4.877 -11.734 10.541 714 HD2 HIS 95 2HD HIS 95 2.837 -12.356 8.600 715 HE1 HIS 95 1HE HIS 95 4.429 -9.694 5.671 716 HE2 HIS 95 2HE HIS 95 2.838 -11.646 6.061 717 H ASN 96 H ASN 96 4.117 -7.965 12.270 718 HA ASN 96 HA ASN 96 5.562 -8.975 14.509 719 HB2 ASN 96 1HB ASN 96 5.778 -6.721 13.385 720 HB3 ASN 96 2HB ASN 96 4.273 -6.235 14.168 721 HD21 ASN 96 1HD2 ASN 96 4.408 -5.532 16.365 722 HD22 ASN 96 2HD2 ASN 96 5.925 -5.607 17.260 723 H LYS 97 H LYS 97 2.154 -8.764 14.084 724 HA LYS 97 HA LYS 97 1.073 -8.321 16.629 725 HB2 LYS 97 1HB LYS 97 -0.201 -8.520 14.568 726 HB3 LYS 97 2HB LYS 97 0.240 -10.223 14.396 727 HG2 LYS 97 1HG LYS 97 -1.087 -10.840 16.327 728 HG3 LYS 97 2HG LYS 97 -1.400 -9.136 16.726 729 HD2 LYS 97 1HD LYS 97 -2.732 -8.843 14.726 730 HD3 LYS 97 2HD LYS 97 -2.268 -10.444 14.108 731 HE2 LYS 97 1HE LYS 97 -3.427 -11.567 15.926 732 HE3 LYS 97 2HE LYS 97 -3.770 -10.027 16.726 733 HZ1 LYS 97 1HZ LYS 97 -5.675 -10.890 15.426 734 HZ2 LYS 97 2HZ LYS 97 -4.822 -10.743 14.041 735 HZ3 LYS 97 3HZ LYS 97 -5.204 -9.408 14.922 736 H ASN 98 H ASN 98 2.930 -11.124 15.676 737 HA ASN 98 HA ASN 98 2.210 -12.991 17.688 738 HB2 ASN 98 1HB ASN 98 3.643 -13.453 15.720 739 HB3 ASN 98 2HB ASN 98 4.902 -12.395 16.368 740 HD21 ASN 98 1HD2 ASN 98 3.060 -15.408 17.070 741 HD22 ASN 98 2HD2 ASN 98 4.357 -16.128 18.007 742 H LEU 99 H LEU 99 4.110 -10.019 17.985 743 HA LEU 99 HA LEU 99 4.491 -10.516 20.920 744 HB2 LEU 99 1HB LEU 99 5.942 -8.591 19.057 745 HB3 LEU 99 2HB LEU 99 6.190 -8.724 20.798 746 HG LEU 99 HG LEU 99 6.791 -10.914 18.753 747 HD11 LEU 99 1HD1 LEU 99 8.307 -8.981 18.593 748 HD12 LEU 99 2HD1 LEU 99 9.141 -10.405 19.235 749 HD13 LEU 99 3HD1 LEU 99 8.651 -9.092 20.333 750 HD21 LEU 99 1HD2 LEU 99 6.256 -11.899 20.951 751 HD22 LEU 99 2HD2 LEU 99 7.395 -10.785 21.743 752 HD23 LEU 99 3HD2 LEU 99 7.982 -12.025 20.617 753 H SER 100 H SER 100 2.658 -9.779 21.849 754 HA SER 100 HA SER 100 1.200 -7.543 20.628 755 HB2 SER 100 1HB SER 100 -0.655 -8.297 22.042 756 HB3 SER 100 2HB SER 100 0.016 -9.596 21.043 757 HG SER 100 HG SER 100 -0.309 -10.279 23.216 758 H GLY 101 H GLY 101 3.353 -7.772 23.264 759 HA2 GLY 101 1HA GLY 101 2.765 -5.053 24.129 760 HA3 GLY 101 2HA GLY 101 2.353 -6.266 25.342 761 HA PRO 102 HA PRO 102 6.897 -4.862 25.489 762 HB2 PRO 102 1HB PRO 102 6.080 -4.286 28.340 763 HB3 PRO 102 2HB PRO 102 7.240 -3.406 27.295 764 HG2 PRO 102 1HG PRO 102 4.749 -2.423 27.664 765 HG3 PRO 102 2HG PRO 102 5.458 -2.437 26.015 766 HD2 PRO 102 1HD PRO 102 3.505 -4.412 27.235 767 HD3 PRO 102 2HD PRO 102 3.454 -3.615 25.634 768 H SER 103 H SER 103 8.484 -6.274 25.992 769 HA SER 103 HA SER 103 9.467 -8.246 26.478 770 HB2 SER 103 1HB SER 103 8.269 -7.782 29.222 771 HB3 SER 103 2HB SER 103 9.654 -8.820 28.838 772 HG SER 103 HG SER 103 10.303 -6.734 29.554 773 H SER 104 H SER 104 6.868 -8.625 25.260 774 HA SER 104 HA SER 104 5.425 -10.796 26.379 775 HB2 SER 104 1HB SER 104 4.646 -9.369 24.526 776 HB3 SER 104 2HB SER 104 5.824 -10.117 23.438 777 HG SER 104 HG SER 104 4.715 -12.075 23.655 778 H GLY 105 H GLY 105 5.564 -12.979 26.252 779 HA2 GLY 105 1HA GLY 105 8.161 -14.234 25.942 780 HA3 GLY 105 2HA GLY 105 6.647 -15.028 26.365 Start of MODEL 9 1 H1 GLY 1 1H GLY 1 -7.833 21.183 16.885 2 H2 GLY 1 2H GLY 1 -6.390 20.589 16.385 3 H3 GLY 1 3H GLY 1 -7.496 19.589 17.060 4 HA2 GLY 1 1HA GLY 1 -9.019 19.926 15.222 5 HA3 GLY 1 2HA GLY 1 -7.807 20.992 14.487 6 H SER 2 H SER 2 -7.700 19.651 12.627 7 HA SER 2 HA SER 2 -7.132 16.854 12.658 8 HB2 SER 2 1HB SER 2 -6.589 18.895 10.470 9 HB3 SER 2 2HB SER 2 -6.677 17.134 10.272 10 HG SER 2 HG SER 2 -8.658 18.171 9.728 11 H SER 3 H SER 3 -5.250 15.700 12.051 12 HA SER 3 HA SER 3 -2.802 16.485 13.254 13 HB2 SER 3 1HB SER 3 -3.271 14.351 11.137 14 HB3 SER 3 2HB SER 3 -1.878 14.466 12.230 15 HG SER 3 HG SER 3 -3.488 12.988 12.954 16 H GLY 4 H GLY 4 -0.837 17.199 12.458 17 HA2 GLY 4 1HA GLY 4 0.110 17.506 9.867 18 HA3 GLY 4 2HA GLY 4 -0.919 18.917 10.127 19 H SER 5 H SER 5 0.831 20.312 9.964 20 HA SER 5 HA SER 5 2.519 21.645 10.623 21 HB2 SER 5 1HB SER 5 1.552 20.960 13.410 22 HB3 SER 5 2HB SER 5 2.492 22.387 12.938 23 HG SER 5 HG SER 5 0.238 22.825 13.044 24 H SER 6 H SER 6 3.383 18.850 10.248 25 HA SER 6 HA SER 6 6.101 19.224 11.297 26 HB2 SER 6 1HB SER 6 4.874 17.853 13.031 27 HB3 SER 6 2HB SER 6 4.664 16.591 11.799 28 HG SER 6 HG SER 6 6.553 16.291 13.112 29 H GLY 7 H GLY 7 7.673 18.219 10.065 30 HA2 GLY 7 1HA GLY 7 6.881 17.328 7.334 31 HA3 GLY 7 2HA GLY 7 8.460 17.909 7.847 32 HA PRO 8 HA PRO 8 8.755 13.254 7.468 33 HB2 PRO 8 1HB PRO 8 11.313 14.175 6.173 34 HB3 PRO 8 2HB PRO 8 10.248 12.807 5.724 35 HG2 PRO 8 1HG PRO 8 10.187 15.110 4.297 36 HG3 PRO 8 2HG PRO 8 8.653 14.285 4.726 37 HD2 PRO 8 1HD PRO 8 9.965 16.646 6.109 38 HD3 PRO 8 2HD PRO 8 8.254 16.430 5.625 39 H ILE 9 H ILE 9 10.123 11.894 8.660 40 HA ILE 9 HA ILE 9 12.061 13.138 10.544 41 HB ILE 9 HB ILE 9 11.088 11.634 12.332 42 HG12 ILE 9 1HG1 ILE 9 8.709 11.330 12.321 43 HG13 ILE 9 2HG1 ILE 9 8.547 11.869 10.658 44 HG21 ILE 9 1HG2 ILE 9 9.526 14.072 11.403 45 HG22 ILE 9 2HG2 ILE 9 9.582 13.412 13.049 46 HG23 ILE 9 3HG2 ILE 9 11.043 14.098 12.328 47 HD11 ILE 9 1HD1 ILE 9 9.687 9.867 9.850 48 HD12 ILE 9 2HD1 ILE 9 10.100 9.388 11.518 49 HD13 ILE 9 3HD1 ILE 9 8.413 9.381 10.972 50 H SER 10 H SER 10 13.485 11.675 11.662 51 HA SER 10 HA SER 10 14.602 9.662 9.873 52 HB2 SER 10 1HB SER 10 16.359 9.524 11.631 53 HB3 SER 10 2HB SER 10 16.081 11.164 11.023 54 HG SER 10 HG SER 10 16.216 11.089 13.326 55 H GLU 11 H GLU 11 12.375 9.528 12.504 56 HA GLU 11 HA GLU 11 12.940 6.788 13.302 57 HB2 GLU 11 1HB GLU 11 12.051 8.674 14.779 58 HB3 GLU 11 2HB GLU 11 10.502 8.468 13.976 59 HG2 GLU 11 1HG GLU 11 10.388 7.241 16.005 60 HG3 GLU 11 2HG GLU 11 10.548 6.023 14.749 61 H ARG 12 H ARG 12 12.850 6.347 10.842 62 HA ARG 12 HA ARG 12 10.305 6.009 9.525 63 HB2 ARG 12 1HB ARG 12 12.547 6.378 8.445 64 HB3 ARG 12 2HB ARG 12 13.000 4.731 8.895 65 HG2 ARG 12 1HG ARG 12 11.065 3.880 7.511 66 HG3 ARG 12 2HG ARG 12 10.715 5.561 7.049 67 HD2 ARG 12 1HD ARG 12 13.057 5.734 6.135 68 HD3 ARG 12 2HD ARG 12 13.287 4.016 6.516 69 HE ARG 12 HE ARG 12 10.949 4.657 4.822 70 HH11 ARG 12 1HH1 ARG 12 14.345 3.751 4.697 71 HH12 ARG 12 2HH1 ARG 12 14.215 3.181 3.056 72 HH21 ARG 12 1HH2 ARG 12 10.852 3.936 2.778 73 HH22 ARG 12 2HH2 ARG 12 12.279 3.285 1.990 74 H ASN 13 H ASN 13 8.821 4.507 9.868 75 HA ASN 13 HA ASN 13 9.546 1.927 11.212 76 HB2 ASN 13 1HB ASN 13 7.089 3.709 11.493 77 HB3 ASN 13 2HB ASN 13 7.220 2.095 12.182 78 HD21 ASN 13 1HD2 ASN 13 6.677 4.296 13.787 79 HD22 ASN 13 2HD2 ASN 13 8.091 4.580 14.807 80 H GLN 14 H GLN 14 8.720 0.030 10.483 81 HA GLN 14 HA GLN 14 7.830 -0.279 7.808 82 HB2 GLN 14 1HB GLN 14 8.963 -1.992 9.284 83 HB3 GLN 14 2HB GLN 14 7.464 -2.144 10.192 84 HG2 GLN 14 1HG GLN 14 7.558 -3.990 8.712 85 HG3 GLN 14 2HG GLN 14 6.322 -2.922 8.076 86 HE21 GLN 14 1HE2 GLN 14 7.014 -4.642 6.249 87 HE22 GLN 14 2HE2 GLN 14 8.223 -4.013 5.130 88 H ASP 15 H ASP 15 5.980 0.158 10.791 89 HA ASP 15 HA ASP 15 3.385 -0.523 9.813 90 HB2 ASP 15 1HB ASP 15 4.280 1.337 12.050 91 HB3 ASP 15 2HB ASP 15 2.627 0.773 11.817 92 H ALA 16 H ALA 16 5.299 2.316 9.134 93 HA ALA 16 HA ALA 16 2.954 3.924 8.326 94 HB1 ALA 16 1HB ALA 16 4.555 5.657 7.845 95 HB2 ALA 16 2HB ALA 16 4.904 4.990 9.456 96 HB3 ALA 16 3HB ALA 16 5.917 4.538 8.064 97 H THR 17 H THR 17 4.642 1.371 6.961 98 HA THR 17 HA THR 17 3.976 2.231 4.184 99 HB THR 17 HB THR 17 5.686 -0.119 5.042 100 HG1 THR 17 1HG THR 17 7.392 1.158 4.381 101 HG21 THR 17 1HG2 THR 17 6.432 -0.112 2.667 102 HG22 THR 17 2HG2 THR 17 5.293 1.192 2.306 103 HG23 THR 17 3HG2 THR 17 4.695 -0.413 2.781 104 H VAL 18 H VAL 18 2.399 1.205 3.082 105 HA VAL 18 HA VAL 18 0.980 -1.075 4.400 106 HB VAL 18 HB VAL 18 -0.982 -0.601 3.178 107 HG11 VAL 18 1HG1 VAL 18 0.068 2.054 4.244 108 HG12 VAL 18 2HG1 VAL 18 -1.622 1.571 4.076 109 HG13 VAL 18 3HG1 VAL 18 -0.580 0.737 5.247 110 HG21 VAL 18 1HG2 VAL 18 -1.272 1.336 1.696 111 HG22 VAL 18 2HG2 VAL 18 0.452 1.713 1.851 112 HG23 VAL 18 3HG2 VAL 18 -0.073 0.225 1.027 113 H TYR 19 H TYR 19 0.536 -2.892 3.239 114 HA TYR 19 HA TYR 19 2.118 -3.432 0.760 115 HB2 TYR 19 1HB TYR 19 2.591 -5.024 2.455 116 HB3 TYR 19 2HB TYR 19 0.914 -5.128 2.955 117 HD1 TYR 19 1HD TYR 19 -0.740 -6.448 1.736 118 HD2 TYR 19 2HD TYR 19 3.377 -6.302 0.455 119 HE1 TYR 19 1HE TYR 19 -1.104 -8.471 0.333 120 HE2 TYR 19 2HE TYR 19 3.020 -8.355 -0.903 121 HH TYR 19 HH TYR 19 1.532 -9.954 -1.591 122 H VAL 20 H VAL 20 1.077 -4.027 -1.089 123 HA VAL 20 HA VAL 20 -1.906 -4.199 -1.146 124 HB VAL 20 HB VAL 20 -0.220 -2.791 -3.258 125 HG11 VAL 20 1HG1 VAL 20 -2.432 -2.088 -4.119 126 HG12 VAL 20 2HG1 VAL 20 -2.304 -3.855 -4.088 127 HG13 VAL 20 3HG1 VAL 20 -3.234 -3.019 -2.839 128 HG21 VAL 20 1HG2 VAL 20 -1.274 -0.695 -2.519 129 HG22 VAL 20 2HG2 VAL 20 -1.993 -1.536 -1.125 130 HG23 VAL 20 3HG2 VAL 20 -0.231 -1.365 -1.268 131 H GLY 21 H GLY 21 -2.313 -6.264 -1.693 132 HA2 GLY 21 1HA GLY 21 -0.545 -7.686 -3.664 133 HA3 GLY 21 2HA GLY 21 -1.527 -8.464 -2.432 134 H GLY 22 H GLY 22 -1.415 -8.642 -5.458 135 HA2 GLY 22 1HA GLY 22 -3.162 -9.690 -6.711 136 HA3 GLY 22 2HA GLY 22 -4.381 -8.748 -5.853 137 H LEU 23 H LEU 23 -1.418 -7.485 -7.368 138 HA LEU 23 HA LEU 23 -2.882 -5.357 -8.721 139 HB2 LEU 23 1HB LEU 23 0.061 -6.150 -8.747 140 HB3 LEU 23 2HB LEU 23 -0.595 -4.646 -9.383 141 HG LEU 23 HG LEU 23 -0.539 -5.500 -6.458 142 HD11 LEU 23 1HD1 LEU 23 0.864 -3.250 -7.949 143 HD12 LEU 23 2HD1 LEU 23 1.612 -4.774 -7.441 144 HD13 LEU 23 3HD1 LEU 23 1.005 -3.633 -6.222 145 HD21 LEU 23 1HD2 LEU 23 -2.529 -4.232 -6.654 146 HD22 LEU 23 2HD2 LEU 23 -1.813 -3.096 -7.809 147 HD23 LEU 23 3HD2 LEU 23 -1.303 -3.075 -6.111 148 H ASP 24 H ASP 24 -2.170 -4.824 -11.040 149 HA ASP 24 HA ASP 24 -2.105 -7.251 -12.738 150 HB2 ASP 24 1HB ASP 24 -4.464 -6.124 -12.360 151 HB3 ASP 24 2HB ASP 24 -3.862 -4.884 -13.450 152 H GLU 25 H GLU 25 -1.544 -6.722 -15.085 153 HA GLU 25 HA GLU 25 1.024 -5.642 -15.032 154 HB2 GLU 25 1HB GLU 25 1.128 -6.103 -17.373 155 HB3 GLU 25 2HB GLU 25 0.186 -7.366 -16.585 156 HG2 GLU 25 1HG GLU 25 -1.922 -6.218 -17.363 157 HG3 GLU 25 2HG GLU 25 -0.932 -5.027 -18.201 158 H LYS 26 H LYS 26 -1.839 -3.791 -15.478 159 HA LYS 26 HA LYS 26 -0.507 -1.497 -16.775 160 HB2 LYS 26 1HB LYS 26 -3.330 -1.775 -15.662 161 HB3 LYS 26 2HB LYS 26 -2.693 -0.417 -16.584 162 HG2 LYS 26 1HG LYS 26 -3.643 -1.475 -18.338 163 HG3 LYS 26 2HG LYS 26 -2.106 -2.323 -18.366 164 HD2 LYS 26 1HD LYS 26 -3.809 -3.951 -18.637 165 HD3 LYS 26 2HD LYS 26 -3.215 -4.165 -16.987 166 HE2 LYS 26 1HE LYS 26 -5.146 -2.875 -16.121 167 HE3 LYS 26 2HE LYS 26 -5.727 -2.623 -17.773 168 HZ1 LYS 26 1HZ LYS 26 -5.971 -5.040 -17.983 169 HZ2 LYS 26 2HZ LYS 26 -6.837 -4.522 -16.699 170 HZ3 LYS 26 3HZ LYS 26 -5.399 -5.280 -16.467 171 H VAL 27 H VAL 27 -0.819 -2.595 -13.547 172 HA VAL 27 HA VAL 27 -0.861 0.001 -12.225 173 HB VAL 27 HB VAL 27 -0.094 -2.737 -11.131 174 HG11 VAL 27 1HG1 VAL 27 0.813 -0.953 -9.702 175 HG12 VAL 27 2HG1 VAL 27 -0.764 -0.146 -9.674 176 HG13 VAL 27 3HG1 VAL 27 -0.552 -1.732 -8.932 177 HG21 VAL 27 1HG2 VAL 27 -2.369 -2.712 -10.123 178 HG22 VAL 27 2HG2 VAL 27 -2.723 -1.192 -10.953 179 HG23 VAL 27 3HG2 VAL 27 -2.458 -2.682 -11.885 180 H SER 28 H SER 28 0.806 1.246 -11.505 181 HA SER 28 HA SER 28 3.610 0.275 -11.749 182 HB2 SER 28 1HB SER 28 4.286 2.330 -12.821 183 HB3 SER 28 2HB SER 28 3.003 1.581 -13.781 184 HG SER 28 HG SER 28 2.574 3.787 -13.535 185 H GLU 29 H GLU 29 5.173 1.588 -10.484 186 HA GLU 29 HA GLU 29 4.241 2.131 -7.856 187 HB2 GLU 29 1HB GLU 29 6.800 2.605 -9.394 188 HB3 GLU 29 2HB GLU 29 6.623 3.450 -7.869 189 HG2 GLU 29 1HG GLU 29 6.757 1.577 -6.591 190 HG3 GLU 29 2HG GLU 29 5.905 0.582 -7.744 191 HA PRO 30 HA PRO 30 4.078 6.842 -8.955 192 HB2 PRO 30 1HB PRO 30 3.357 6.552 -11.876 193 HB3 PRO 30 2HB PRO 30 4.164 7.919 -11.042 194 HG2 PRO 30 1HG PRO 30 5.644 6.168 -12.466 195 HG3 PRO 30 2HG PRO 30 6.208 6.667 -10.834 196 HD2 PRO 30 1HD PRO 30 4.706 4.155 -11.616 197 HD3 PRO 30 2HD PRO 30 6.161 4.323 -10.593 198 H LEU 31 H LEU 31 2.004 4.320 -10.481 199 HA LEU 31 HA LEU 31 -0.462 5.828 -10.150 200 HB2 LEU 31 1HB LEU 31 -0.243 3.911 -11.755 201 HB3 LEU 31 2HB LEU 31 -0.024 2.822 -10.389 202 HG LEU 31 HG LEU 31 -2.334 3.546 -9.530 203 HD11 LEU 31 1HD1 LEU 31 -2.466 4.694 -12.344 204 HD12 LEU 31 2HD1 LEU 31 -2.564 5.621 -10.824 205 HD13 LEU 31 3HD1 LEU 31 -3.849 4.478 -11.243 206 HD21 LEU 31 1HD2 LEU 31 -2.045 2.161 -12.223 207 HD22 LEU 31 2HD2 LEU 31 -3.496 2.109 -11.201 208 HD23 LEU 31 3HD2 LEU 31 -1.985 1.413 -10.603 209 H LEU 32 H LEU 32 1.146 3.190 -8.309 210 HA LEU 32 HA LEU 32 -0.727 3.172 -6.154 211 HB2 LEU 32 1HB LEU 32 2.252 2.498 -6.062 212 HB3 LEU 32 2HB LEU 32 1.036 2.070 -4.860 213 HG LEU 32 HG LEU 32 1.346 0.972 -7.646 214 HD11 LEU 32 1HD1 LEU 32 1.499 -1.140 -6.428 215 HD12 LEU 32 2HD1 LEU 32 1.154 -0.314 -4.887 216 HD13 LEU 32 3HD1 LEU 32 2.672 0.020 -5.761 217 HD21 LEU 32 1HD2 LEU 32 -1.028 1.255 -7.429 218 HD22 LEU 32 2HD2 LEU 32 -1.003 0.701 -5.731 219 HD23 LEU 32 3HD2 LEU 32 -0.685 -0.442 -7.047 220 H TRP 33 H TRP 33 1.934 5.359 -6.764 221 HA TRP 33 HA TRP 33 1.823 6.618 -4.155 222 HB2 TRP 33 1HB TRP 33 3.700 6.668 -5.874 223 HB3 TRP 33 2HB TRP 33 2.780 7.845 -6.773 224 HD1 TRP 33 HD TRP 33 1.926 9.777 -4.338 225 HE1 TRP 33 1HE TRP 33 3.733 11.184 -3.159 226 HE3 TRP 33 3HE TRP 33 6.009 7.060 -5.671 227 HZ2 TRP 33 2HZ TRP 33 6.622 11.180 -2.927 228 HZ3 TRP 33 3HZ TRP 33 8.312 7.793 -5.002 229 HH2 TRP 33 HH TRP 33 8.615 9.851 -3.639 230 H GLU 34 H GLU 34 0.755 7.899 -7.325 231 HA GLU 34 HA GLU 34 -0.686 10.070 -6.190 232 HB2 GLU 34 1HB GLU 34 -0.920 8.774 -8.941 233 HB3 GLU 34 2HB GLU 34 -1.681 10.305 -8.477 234 HG2 GLU 34 1HG GLU 34 0.594 11.153 -7.808 235 HG3 GLU 34 2HG GLU 34 1.310 9.728 -8.549 236 H LEU 35 H LEU 35 -1.881 6.838 -6.952 237 HA LEU 35 HA LEU 35 -4.683 7.454 -6.625 238 HB2 LEU 35 1HB LEU 35 -3.529 5.371 -7.716 239 HB3 LEU 35 2HB LEU 35 -3.385 4.778 -6.056 240 HG LEU 35 HG LEU 35 -5.954 5.170 -5.948 241 HD11 LEU 35 1HD1 LEU 35 -7.128 4.947 -8.087 242 HD12 LEU 35 2HD1 LEU 35 -5.583 5.034 -8.961 243 HD13 LEU 35 3HD1 LEU 35 -6.179 6.441 -8.051 244 HD21 LEU 35 1HD2 LEU 35 -4.774 2.972 -7.677 245 HD22 LEU 35 2HD2 LEU 35 -6.373 2.940 -6.887 246 HD23 LEU 35 3HD2 LEU 35 -4.907 2.969 -5.901 247 H PHE 36 H PHE 36 -2.105 6.674 -4.312 248 HA PHE 36 HA PHE 36 -4.000 6.235 -2.089 249 HB2 PHE 36 1HB PHE 36 -1.065 5.803 -2.542 250 HB3 PHE 36 2HB PHE 36 -1.677 5.858 -0.935 251 HD1 PHE 36 1HD PHE 36 -2.361 4.071 -4.192 252 HD2 PHE 36 2HD PHE 36 -2.442 3.901 0.105 253 HE1 PHE 36 1HE PHE 36 -3.033 1.687 -4.303 254 HE2 PHE 36 2HE PHE 36 -3.161 1.528 -0.002 255 HZ PHE 36 HZ PHE 36 -3.478 0.423 -2.206 256 H LEU 37 H LEU 37 -2.268 8.917 -3.379 257 HA LEU 37 HA LEU 37 -1.952 10.554 -1.095 258 HB2 LEU 37 1HB LEU 37 -2.762 11.163 -3.961 259 HB3 LEU 37 2HB LEU 37 -2.485 12.429 -2.773 260 HG LEU 37 HG LEU 37 -0.386 10.447 -3.701 261 HD11 LEU 37 1HD1 LEU 37 -0.666 13.439 -4.181 262 HD12 LEU 37 2HD1 LEU 37 -1.042 12.182 -5.375 263 HD13 LEU 37 3HD1 LEU 37 0.623 12.378 -4.795 264 HD21 LEU 37 1HD2 LEU 37 1.184 11.935 -2.458 265 HD22 LEU 37 2HD2 LEU 37 0.040 11.104 -1.395 266 HD23 LEU 37 3HD2 LEU 37 -0.217 12.812 -1.792 267 H GLN 38 H GLN 38 -4.881 9.392 -2.430 268 HA GLN 38 HA GLN 38 -6.771 11.284 -1.368 269 HB2 GLN 38 1HB GLN 38 -7.132 8.282 -1.782 270 HB3 GLN 38 2HB GLN 38 -8.411 9.498 -1.647 271 HG2 GLN 38 1HG GLN 38 -7.524 10.590 -3.739 272 HG3 GLN 38 2HG GLN 38 -6.340 9.272 -3.843 273 HE21 GLN 38 1HE2 GLN 38 -7.034 7.183 -4.494 274 HE22 GLN 38 2HE2 GLN 38 -8.658 6.911 -5.145 275 H ALA 39 H ALA 39 -5.045 8.539 0.097 276 HA ALA 39 HA ALA 39 -6.653 8.556 2.545 277 HB1 ALA 39 1HB ALA 39 -3.978 7.238 1.928 278 HB2 ALA 39 2HB ALA 39 -5.048 6.885 3.295 279 HB3 ALA 39 3HB ALA 39 -5.560 6.504 1.634 280 H GLY 40 H GLY 40 -3.374 9.650 1.614 281 HA2 GLY 40 1HA GLY 40 -3.278 11.920 3.329 282 HA3 GLY 40 2HA GLY 40 -2.504 10.555 4.142 283 HA PRO 41 HA PRO 41 0.553 12.742 1.323 284 HB2 PRO 41 1HB PRO 41 2.518 13.243 3.178 285 HB3 PRO 41 2HB PRO 41 1.115 14.315 2.892 286 HG2 PRO 41 1HG PRO 41 1.400 12.174 5.020 287 HG3 PRO 41 2HG PRO 41 0.882 13.875 5.233 288 HD2 PRO 41 1HD PRO 41 -0.892 11.829 5.021 289 HD3 PRO 41 2HD PRO 41 -1.245 13.398 4.241 290 H VAL 42 H VAL 42 1.237 11.130 0.091 291 HA VAL 42 HA VAL 42 2.686 8.781 1.126 292 HB VAL 42 HB VAL 42 1.990 9.566 -1.720 293 HG11 VAL 42 1HG1 VAL 42 3.200 7.004 -0.587 294 HG12 VAL 42 2HG1 VAL 42 2.568 7.186 -2.231 295 HG13 VAL 42 3HG1 VAL 42 3.969 8.120 -1.736 296 HG21 VAL 42 1HG2 VAL 42 -0.015 8.973 -0.376 297 HG22 VAL 42 2HG2 VAL 42 0.341 7.754 -1.600 298 HG23 VAL 42 3HG2 VAL 42 0.770 7.451 0.098 299 H VAL 43 H VAL 43 4.767 8.485 1.067 300 HA VAL 43 HA VAL 43 6.573 10.757 0.358 301 HB VAL 43 HB VAL 43 7.114 8.440 2.254 302 HG11 VAL 43 1HG1 VAL 43 8.674 10.049 3.320 303 HG12 VAL 43 2HG1 VAL 43 9.110 9.734 1.633 304 HG13 VAL 43 3HG1 VAL 43 8.283 11.252 2.077 305 HG21 VAL 43 1HG2 VAL 43 5.117 9.541 3.099 306 HG22 VAL 43 2HG2 VAL 43 6.503 9.930 4.112 307 HG23 VAL 43 3HG2 VAL 43 5.887 11.139 2.954 308 H ASN 44 H ASN 44 6.091 7.291 -0.106 309 HA ASN 44 HA ASN 44 8.032 7.095 -2.279 310 HB2 ASN 44 1HB ASN 44 9.572 7.001 -0.425 311 HB3 ASN 44 2HB ASN 44 8.531 5.943 0.494 312 HD21 ASN 44 1HD2 ASN 44 9.485 4.008 0.702 313 HD22 ASN 44 2HD2 ASN 44 10.305 3.155 -0.620 314 H THR 45 H THR 45 7.962 4.960 -3.319 315 HA THR 45 HA THR 45 5.869 3.046 -2.467 316 HB THR 45 HB THR 45 5.347 2.689 -4.965 317 HG1 THR 45 1HG THR 45 5.390 4.645 -6.141 318 HG21 THR 45 1HG2 THR 45 3.745 3.594 -3.320 319 HG22 THR 45 2HG2 THR 45 3.522 4.159 -4.970 320 HG23 THR 45 3HG2 THR 45 4.269 5.241 -3.755 321 H HIS 46 H HIS 46 6.156 0.885 -3.285 322 HA HIS 46 HA HIS 46 8.684 0.316 -4.721 323 HB2 HIS 46 1HB HIS 46 8.978 0.195 -2.107 324 HB3 HIS 46 2HB HIS 46 7.996 -1.250 -2.221 325 HD2 HIS 46 2HD HIS 46 11.506 0.021 -2.911 326 HE1 HIS 46 1HE HIS 46 11.466 -4.014 -4.293 327 HE2 HIS 46 2HE HIS 46 12.948 -2.004 -3.788 328 H MET 47 H MET 47 8.357 -1.230 -6.258 329 HA MET 47 HA MET 47 6.310 -3.360 -5.757 330 HB2 MET 47 1HB MET 47 6.574 -1.720 -8.287 331 HB3 MET 47 2HB MET 47 5.836 -3.323 -8.243 332 HG2 MET 47 1HG MET 47 4.140 -2.628 -6.714 333 HG3 MET 47 2HG MET 47 4.913 -1.070 -6.435 334 HE1 MET 47 1HE MET 47 4.307 -2.753 -10.049 335 HE2 MET 47 2HE MET 47 3.098 -3.361 -8.890 336 HE3 MET 47 3HE MET 47 2.605 -2.292 -10.230 337 HA PRO 48 HA PRO 48 10.275 -5.436 -6.534 338 HB2 PRO 48 1HB PRO 48 8.471 -7.760 -5.813 339 HB3 PRO 48 2HB PRO 48 10.182 -7.477 -5.352 340 HG2 PRO 48 1HG PRO 48 8.241 -6.904 -3.578 341 HG3 PRO 48 2HG PRO 48 9.547 -5.710 -3.840 342 HD2 PRO 48 1HD PRO 48 6.757 -5.732 -5.040 343 HD3 PRO 48 2HD PRO 48 7.632 -4.369 -4.270 344 H LYS 49 H LYS 49 11.067 -6.392 -8.368 345 HA LYS 49 HA LYS 49 9.137 -6.913 -10.583 346 HB2 LYS 49 1HB LYS 49 12.084 -6.220 -10.768 347 HB3 LYS 49 2HB LYS 49 10.943 -6.346 -12.100 348 HG2 LYS 49 1HG LYS 49 10.982 -4.228 -9.918 349 HG3 LYS 49 2HG LYS 49 11.397 -4.028 -11.620 350 HD2 LYS 49 1HD LYS 49 9.006 -4.631 -12.207 351 HD3 LYS 49 2HD LYS 49 8.625 -4.584 -10.481 352 HE2 LYS 49 1HE LYS 49 9.609 -2.268 -12.209 353 HE3 LYS 49 2HE LYS 49 7.988 -2.495 -11.551 354 HZ1 LYS 49 1HZ LYS 49 9.015 -1.009 -10.066 355 HZ2 LYS 49 2HZ LYS 49 10.442 -1.824 -10.048 356 HZ3 LYS 49 3HZ LYS 49 9.130 -2.439 -9.291 357 H ASP 50 H ASP 50 9.417 -8.522 -12.065 358 HA ASP 50 HA ASP 50 10.366 -11.090 -11.068 359 HB2 ASP 50 1HB ASP 50 8.246 -10.731 -12.346 360 HB3 ASP 50 2HB ASP 50 9.198 -10.250 -13.746 361 H ARG 51 H ARG 51 12.075 -12.342 -11.876 362 HA ARG 51 HA ARG 51 14.285 -10.819 -13.057 363 HB2 ARG 51 1HB ARG 51 15.705 -12.599 -12.345 364 HB3 ARG 51 2HB ARG 51 14.601 -12.172 -11.040 365 HG2 ARG 51 1HG ARG 51 13.179 -14.167 -11.647 366 HG3 ARG 51 2HG ARG 51 14.385 -14.600 -12.878 367 HD2 ARG 51 1HD ARG 51 16.118 -14.778 -11.130 368 HD3 ARG 51 2HD ARG 51 14.920 -14.341 -9.893 369 HE ARG 51 HE ARG 51 13.932 -16.578 -11.356 370 HH11 ARG 51 1HH1 ARG 51 16.486 -15.927 -9.048 371 HH12 ARG 51 2HH1 ARG 51 16.488 -17.564 -8.449 372 HH21 ARG 51 1HH2 ARG 51 13.984 -18.647 -10.547 373 HH22 ARG 51 2HH2 ARG 51 15.105 -19.059 -9.282 374 H VAL 52 H VAL 52 11.883 -12.267 -14.682 375 HA VAL 52 HA VAL 52 13.637 -13.120 -16.955 376 HB VAL 52 HB VAL 52 11.052 -14.510 -16.139 377 HG11 VAL 52 1HG1 VAL 52 13.229 -15.251 -18.145 378 HG12 VAL 52 2HG1 VAL 52 11.817 -16.247 -17.730 379 HG13 VAL 52 3HG1 VAL 52 11.585 -14.699 -18.540 380 HG21 VAL 52 1HG2 VAL 52 12.505 -16.444 -15.499 381 HG22 VAL 52 2HG2 VAL 52 13.928 -15.387 -15.639 382 HG23 VAL 52 3HG2 VAL 52 12.667 -15.064 -14.420 383 H THR 53 H THR 53 10.419 -11.897 -15.904 384 HA THR 53 HA THR 53 9.864 -10.984 -18.678 385 HB THR 53 HB THR 53 7.553 -10.617 -17.894 386 HG1 THR 53 1HG THR 53 7.044 -11.572 -15.838 387 HG21 THR 53 1HG2 THR 53 8.208 -12.842 -18.843 388 HG22 THR 53 2HG2 THR 53 6.884 -12.948 -17.670 389 HG23 THR 53 3HG2 THR 53 8.530 -13.425 -17.195 390 H GLY 54 H GLY 54 10.765 -9.810 -15.556 391 HA2 GLY 54 1HA GLY 54 11.551 -7.762 -14.954 392 HA3 GLY 54 2HA GLY 54 11.329 -7.255 -16.623 393 H GLN 55 H GLN 55 8.333 -8.242 -15.642 394 HA GLN 55 HA GLN 55 7.372 -5.547 -14.859 395 HB2 GLN 55 1HB GLN 55 5.130 -6.500 -15.137 396 HB3 GLN 55 2HB GLN 55 6.112 -6.626 -16.593 397 HG2 GLN 55 1HG GLN 55 6.489 -8.992 -16.232 398 HG3 GLN 55 2HG GLN 55 5.693 -8.945 -14.657 399 HE21 GLN 55 1HE2 GLN 55 5.119 -8.546 -18.198 400 HE22 GLN 55 2HE2 GLN 55 3.409 -8.934 -18.090 401 H HIS 56 H HIS 56 5.530 -5.731 -13.025 402 HA HIS 56 HA HIS 56 7.006 -6.445 -10.649 403 HB2 HIS 56 1HB HIS 56 5.143 -5.581 -9.408 404 HB3 HIS 56 2HB HIS 56 5.550 -4.502 -10.738 405 HD2 HIS 56 2HD HIS 56 3.606 -3.895 -12.416 406 HE1 HIS 56 1HE HIS 56 0.658 -6.639 -11.028 407 HE2 HIS 56 2HE HIS 56 1.081 -4.653 -12.545 408 H GLN 57 H GLN 57 6.358 -7.807 -8.918 409 HA GLN 57 HA GLN 57 5.640 -10.473 -9.837 410 HB2 GLN 57 1HB GLN 57 6.452 -9.424 -7.104 411 HB3 GLN 57 2HB GLN 57 6.216 -11.129 -7.511 412 HG2 GLN 57 1HG GLN 57 8.012 -10.952 -9.244 413 HG3 GLN 57 2HG GLN 57 8.309 -9.294 -8.732 414 HE21 GLN 57 1HE2 GLN 57 10.573 -10.007 -8.207 415 HE22 GLN 57 2HE2 GLN 57 10.817 -10.889 -6.704 416 H GLY 58 H GLY 58 3.413 -8.295 -9.557 417 HA2 GLY 58 1HA GLY 58 1.118 -8.580 -9.336 418 HA3 GLY 58 2HA GLY 58 1.356 -10.098 -8.478 419 H TYR 59 H TYR 59 3.291 -7.792 -6.963 420 HA TYR 59 HA TYR 59 1.172 -6.605 -5.300 421 HB2 TYR 59 1HB TYR 59 2.080 -7.341 -3.223 422 HB3 TYR 59 2HB TYR 59 1.719 -8.744 -4.203 423 HD1 TYR 59 1HD TYR 59 4.314 -6.869 -2.451 424 HD2 TYR 59 2HD TYR 59 3.600 -10.041 -5.291 425 HE1 TYR 59 1HE TYR 59 6.590 -7.774 -2.020 426 HE2 TYR 59 2HE TYR 59 5.909 -10.892 -4.915 427 HH TYR 59 HH TYR 59 8.134 -9.382 -2.539 428 H GLY 60 H GLY 60 1.928 -4.958 -3.854 429 HA2 GLY 60 1HA GLY 60 4.518 -3.639 -4.421 430 HA3 GLY 60 2HA GLY 60 3.037 -2.790 -4.871 431 H PHE 61 H PHE 61 4.429 -1.405 -3.282 432 HA PHE 61 HA PHE 61 3.069 -1.457 -0.656 433 HB2 PHE 61 1HB PHE 61 6.043 -1.005 -1.096 434 HB3 PHE 61 2HB PHE 61 5.207 -0.847 0.428 435 HD1 PHE 61 1HD PHE 61 4.532 -2.802 1.741 436 HD2 PHE 61 2HD PHE 61 6.572 -3.228 -2.033 437 HE1 PHE 61 1HE PHE 61 5.122 -5.148 2.321 438 HE2 PHE 61 2HE PHE 61 7.147 -5.569 -1.460 439 HZ PHE 61 HZ PHE 61 6.419 -6.538 0.717 440 H VAL 62 H VAL 62 2.826 0.550 0.334 441 HA VAL 62 HA VAL 62 3.735 3.001 -1.114 442 HB VAL 62 HB VAL 62 0.933 2.758 0.039 443 HG11 VAL 62 1HG1 VAL 62 2.253 4.832 -1.744 444 HG12 VAL 62 2HG1 VAL 62 0.566 4.837 -1.203 445 HG13 VAL 62 3HG1 VAL 62 1.849 5.032 -0.017 446 HG21 VAL 62 1HG2 VAL 62 0.133 2.779 -2.316 447 HG22 VAL 62 2HG2 VAL 62 1.806 2.512 -2.848 448 HG23 VAL 62 3HG2 VAL 62 0.957 1.282 -1.886 449 H GLU 63 H GLU 63 4.692 4.431 0.201 450 HA GLU 63 HA GLU 63 4.602 3.935 3.145 451 HB2 GLU 63 1HB GLU 63 6.729 3.628 1.910 452 HB3 GLU 63 2HB GLU 63 6.669 5.350 1.463 453 HG2 GLU 63 1HG GLU 63 6.850 6.047 3.754 454 HG3 GLU 63 2HG GLU 63 6.652 4.393 4.342 455 H PHE 64 H PHE 64 3.678 5.364 4.434 456 HA PHE 64 HA PHE 64 2.938 8.057 3.405 457 HB2 PHE 64 1HB PHE 64 1.830 6.296 5.610 458 HB3 PHE 64 2HB PHE 64 1.397 7.984 5.420 459 HD1 PHE 64 1HD PHE 64 0.108 8.804 3.544 460 HD2 PHE 64 2HD PHE 64 1.093 4.627 3.898 461 HE1 PHE 64 1HE PHE 64 -1.608 8.253 1.823 462 HE2 PHE 64 2HE PHE 64 -0.631 4.078 2.177 463 HZ PHE 64 HZ PHE 64 -2.005 5.919 1.169 464 H LEU 65 H LEU 65 3.046 9.873 4.788 465 HA LEU 65 HA LEU 65 5.524 10.273 6.083 466 HB2 LEU 65 1HB LEU 65 3.839 11.971 5.093 467 HB3 LEU 65 2HB LEU 65 2.970 11.815 6.626 468 HG LEU 65 HG LEU 65 5.165 12.499 7.779 469 HD11 LEU 65 1HD1 LEU 65 6.705 13.849 6.354 470 HD12 LEU 65 2HD1 LEU 65 5.837 13.302 4.909 471 HD13 LEU 65 3HD1 LEU 65 6.732 12.137 5.911 472 HD21 LEU 65 1HD2 LEU 65 4.775 14.898 7.332 473 HD22 LEU 65 2HD2 LEU 65 3.243 14.030 7.502 474 HD23 LEU 65 3HD2 LEU 65 3.826 14.484 5.885 475 H SER 66 H SER 66 2.410 9.281 7.441 476 HA SER 66 HA SER 66 3.703 8.577 10.037 477 HB2 SER 66 1HB SER 66 1.061 10.063 9.903 478 HB3 SER 66 2HB SER 66 2.008 9.631 11.331 479 HG SER 66 HG SER 66 2.236 11.844 10.765 480 H GLU 67 H GLU 67 2.660 7.103 11.272 481 HA GLU 67 HA GLU 67 1.673 4.852 9.872 482 HB2 GLU 67 1HB GLU 67 1.633 5.670 12.791 483 HB3 GLU 67 2HB GLU 67 1.182 4.064 12.210 484 HG2 GLU 67 1HG GLU 67 3.400 3.679 11.293 485 HG3 GLU 67 2HG GLU 67 3.901 5.320 11.698 486 H GLU 68 H GLU 68 -0.146 7.402 11.590 487 HA GLU 68 HA GLU 68 -2.701 6.085 11.450 488 HB2 GLU 68 1HB GLU 68 -3.622 8.245 12.087 489 HB3 GLU 68 2HB GLU 68 -2.215 7.835 13.065 490 HG2 GLU 68 1HG GLU 68 -0.817 9.353 11.602 491 HG3 GLU 68 2HG GLU 68 -2.289 9.815 10.745 492 H ASP 69 H ASP 69 -0.911 7.905 9.049 493 HA ASP 69 HA ASP 69 -3.218 8.294 7.260 494 HB2 ASP 69 1HB ASP 69 -0.222 8.668 6.920 495 HB3 ASP 69 2HB ASP 69 -1.381 8.969 5.647 496 H ALA 70 H ALA 70 -0.622 5.900 7.742 497 HA ALA 70 HA ALA 70 -1.257 4.334 5.371 498 HB1 ALA 70 1HB ALA 70 0.235 3.667 7.961 499 HB2 ALA 70 2HB ALA 70 0.195 2.647 6.524 500 HB3 ALA 70 3HB ALA 70 0.956 4.245 6.448 501 H ASP 71 H ASP 71 -2.147 4.132 8.849 502 HA ASP 71 HA ASP 71 -3.757 1.827 8.729 503 HB2 ASP 71 1HB ASP 71 -2.878 3.376 10.707 504 HB3 ASP 71 2HB ASP 71 -4.482 4.086 10.576 505 H TYR 72 H TYR 72 -4.572 5.140 7.829 506 HA TYR 72 HA TYR 72 -7.420 4.594 7.413 507 HB2 TYR 72 1HB TYR 72 -6.501 6.821 8.085 508 HB3 TYR 72 2HB TYR 72 -5.711 6.935 6.511 509 HD1 TYR 72 1HD TYR 72 -6.885 7.916 4.718 510 HD2 TYR 72 2HD TYR 72 -9.100 6.389 8.081 511 HE1 TYR 72 1HE TYR 72 -8.993 8.795 3.717 512 HE2 TYR 72 2HE TYR 72 -11.215 7.261 7.080 513 HH TYR 72 HH TYR 72 -11.264 9.013 3.954 514 H ALA 73 H ALA 73 -4.489 4.649 5.340 515 HA ALA 73 HA ALA 73 -5.892 4.528 2.816 516 HB1 ALA 73 1HB ALA 73 -3.734 3.919 1.936 517 HB2 ALA 73 2HB ALA 73 -3.485 5.164 3.175 518 HB3 ALA 73 3HB ALA 73 -3.125 3.469 3.546 519 H ILE 74 H ILE 74 -4.771 2.044 5.094 520 HA ILE 74 HA ILE 74 -5.605 -0.281 3.649 521 HB ILE 74 HB ILE 74 -5.398 0.305 6.633 522 HG12 ILE 74 1HG1 ILE 74 -3.435 -1.250 4.904 523 HG13 ILE 74 2HG1 ILE 74 -3.326 0.504 5.082 524 HG21 ILE 74 1HG2 ILE 74 -5.236 -2.195 6.909 525 HG22 ILE 74 2HG2 ILE 74 -6.819 -1.664 6.372 526 HG23 ILE 74 3HG2 ILE 74 -5.690 -2.369 5.201 527 HD11 ILE 74 1HD1 ILE 74 -3.196 -1.443 7.395 528 HD12 ILE 74 2HD1 ILE 74 -1.829 -0.625 6.611 529 HD13 ILE 74 3HD1 ILE 74 -3.044 0.329 7.457 530 H LYS 75 H LYS 75 -7.410 1.869 5.873 531 HA LYS 75 HA LYS 75 -9.824 0.348 5.966 532 HB2 LYS 75 1HB LYS 75 -9.213 2.106 7.565 533 HB3 LYS 75 2HB LYS 75 -9.382 3.347 6.320 534 HG2 LYS 75 1HG LYS 75 -11.748 2.901 6.071 535 HG3 LYS 75 2HG LYS 75 -11.654 1.546 7.195 536 HD2 LYS 75 1HD LYS 75 -11.117 4.484 7.834 537 HD3 LYS 75 2HD LYS 75 -12.613 3.635 8.199 538 HE2 LYS 75 1HE LYS 75 -9.877 2.962 9.385 539 HE3 LYS 75 2HE LYS 75 -11.115 3.942 10.169 540 HZ1 LYS 75 1HZ LYS 75 -11.228 1.661 10.939 541 HZ2 LYS 75 2HZ LYS 75 -11.445 1.082 9.431 542 HZ3 LYS 75 3HZ LYS 75 -12.598 2.008 10.128 543 H ILE 76 H ILE 76 -8.805 2.872 3.643 544 HA ILE 76 HA ILE 76 -11.368 2.582 2.220 545 HB ILE 76 HB ILE 76 -10.666 4.448 0.868 546 HG12 ILE 76 1HG1 ILE 76 -8.177 4.701 2.591 547 HG13 ILE 76 2HG1 ILE 76 -8.182 4.061 0.962 548 HG21 ILE 76 1HG2 ILE 76 -11.863 4.694 3.079 549 HG22 ILE 76 2HG2 ILE 76 -10.289 5.019 3.845 550 HG23 ILE 76 3HG2 ILE 76 -10.934 6.121 2.616 551 HD11 ILE 76 1HD1 ILE 76 -8.874 6.871 1.830 552 HD12 ILE 76 2HD1 ILE 76 -7.572 6.335 0.753 553 HD13 ILE 76 3HD1 ILE 76 -9.246 6.248 0.200 554 H MET 77 H MET 77 -8.004 1.590 1.545 555 HA MET 77 HA MET 77 -8.745 0.964 -1.239 556 HB2 MET 77 1HB MET 77 -6.117 1.077 0.178 557 HB3 MET 77 2HB MET 77 -6.262 0.521 -1.478 558 HG2 MET 77 1HG MET 77 -7.431 3.187 -0.719 559 HG3 MET 77 2HG MET 77 -5.712 3.038 -0.974 560 HE1 MET 77 1HE MET 77 -5.386 4.515 -3.380 561 HE2 MET 77 2HE MET 77 -6.967 4.877 -4.105 562 HE3 MET 77 3HE MET 77 -6.747 5.066 -2.361 563 H ASP 78 H ASP 78 -9.112 -0.810 1.423 564 HA ASP 78 HA ASP 78 -8.068 -3.337 0.320 565 HB2 ASP 78 1HB ASP 78 -7.858 -2.896 2.749 566 HB3 ASP 78 2HB ASP 78 -9.624 -2.905 2.891 567 H MET 79 H MET 79 -9.229 -5.007 -0.494 568 HA MET 79 HA MET 79 -10.710 -5.950 -1.828 569 HB2 MET 79 1HB MET 79 -12.930 -4.898 -0.055 570 HB3 MET 79 2HB MET 79 -12.952 -6.300 -1.129 571 HG2 MET 79 1HG MET 79 -10.908 -7.114 0.305 572 HG3 MET 79 2HG MET 79 -11.476 -5.931 1.480 573 HE1 MET 79 1HE MET 79 -13.416 -9.914 0.234 574 HE2 MET 79 2HE MET 79 -13.132 -8.623 -0.956 575 HE3 MET 79 3HE MET 79 -11.760 -9.354 -0.099 576 H ILE 80 H ILE 80 -10.103 -2.965 -2.240 577 HA ILE 80 HA ILE 80 -12.159 -2.100 -4.127 578 HB ILE 80 HB ILE 80 -9.559 -1.115 -3.072 579 HG12 ILE 80 1HG1 ILE 80 -12.275 0.056 -3.705 580 HG13 ILE 80 2HG1 ILE 80 -11.537 -0.247 -2.133 581 HG21 ILE 80 1HG2 ILE 80 -8.948 -1.127 -5.425 582 HG22 ILE 80 2HG2 ILE 80 -10.371 -0.104 -5.794 583 HG23 ILE 80 3HG2 ILE 80 -9.046 0.469 -4.732 584 HD11 ILE 80 1HD1 ILE 80 -9.818 1.572 -2.757 585 HD12 ILE 80 2HD1 ILE 80 -10.864 1.945 -4.136 586 HD13 ILE 80 3HD1 ILE 80 -11.487 2.115 -2.489 587 H LYS 81 H LYS 81 -11.855 -1.971 -6.421 588 HA LYS 81 HA LYS 81 -10.321 -4.290 -7.518 589 HB2 LYS 81 1HB LYS 81 -12.960 -3.065 -8.357 590 HB3 LYS 81 2HB LYS 81 -12.107 -4.348 -9.232 591 HG2 LYS 81 1HG LYS 81 -12.203 -5.742 -7.088 592 HG3 LYS 81 2HG LYS 81 -13.259 -4.498 -6.416 593 HD2 LYS 81 1HD LYS 81 -14.714 -6.177 -7.211 594 HD3 LYS 81 2HD LYS 81 -14.795 -4.888 -8.421 595 HE2 LYS 81 1HE LYS 81 -13.068 -6.167 -9.774 596 HE3 LYS 81 2HE LYS 81 -13.186 -7.472 -8.589 597 HZ1 LYS 81 1HZ LYS 81 -14.643 -7.878 -10.492 598 HZ2 LYS 81 2HZ LYS 81 -15.452 -6.483 -10.242 599 HZ3 LYS 81 3HZ LYS 81 -15.546 -7.692 -9.147 600 H LEU 82 H LEU 82 -8.483 -2.785 -7.607 601 HA LEU 82 HA LEU 82 -8.340 -0.630 -9.485 602 HB2 LEU 82 1HB LEU 82 -6.701 -1.168 -7.638 603 HB3 LEU 82 2HB LEU 82 -6.131 -2.539 -8.584 604 HG LEU 82 HG LEU 82 -5.275 -1.043 -10.316 605 HD11 LEU 82 1HD1 LEU 82 -5.261 1.452 -9.882 606 HD12 LEU 82 2HD1 LEU 82 -6.471 1.183 -8.615 607 HD13 LEU 82 3HD1 LEU 82 -6.841 0.811 -10.315 608 HD21 LEU 82 1HD2 LEU 82 -3.867 -1.540 -8.336 609 HD22 LEU 82 2HD2 LEU 82 -4.506 -0.098 -7.519 610 HD23 LEU 82 3HD2 LEU 82 -3.523 0.071 -8.986 611 H TYR 83 H TYR 83 -8.107 -0.618 -11.757 612 HA TYR 83 HA TYR 83 -8.783 -1.463 -13.760 613 HB2 TYR 83 1HB TYR 83 -6.450 -3.312 -13.190 614 HB3 TYR 83 2HB TYR 83 -7.161 -3.045 -14.771 615 HD1 TYR 83 1HD TYR 83 -4.707 -1.860 -12.459 616 HD2 TYR 83 2HD TYR 83 -7.244 -0.672 -15.738 617 HE1 TYR 83 1HE TYR 83 -3.232 0.106 -12.902 618 HE2 TYR 83 2HE TYR 83 -5.766 1.276 -16.181 619 HH TYR 83 HH TYR 83 -3.915 2.454 -15.519 620 H GLY 84 H GLY 84 -10.440 -2.763 -11.624 621 HA2 GLY 84 1HA GLY 84 -12.231 -4.203 -11.738 622 HA3 GLY 84 2HA GLY 84 -11.743 -4.689 -13.360 623 H LYS 85 H LYS 85 -9.765 -5.004 -10.424 624 HA LYS 85 HA LYS 85 -9.915 -7.944 -10.340 625 HB2 LYS 85 1HB LYS 85 -8.174 -7.215 -12.008 626 HB3 LYS 85 2HB LYS 85 -7.349 -6.339 -10.719 627 HG2 LYS 85 1HG LYS 85 -7.079 -8.547 -9.488 628 HG3 LYS 85 2HG LYS 85 -7.810 -9.348 -10.900 629 HD2 LYS 85 1HD LYS 85 -6.018 -8.212 -12.322 630 HD3 LYS 85 2HD LYS 85 -5.242 -7.708 -10.805 631 HE2 LYS 85 1HE LYS 85 -5.016 -10.107 -10.159 632 HE3 LYS 85 2HE LYS 85 -5.787 -10.574 -11.686 633 HZ1 LYS 85 1HZ LYS 85 -3.943 -9.332 -12.826 634 HZ2 LYS 85 2HZ LYS 85 -3.422 -10.660 -11.996 635 HZ3 LYS 85 3HZ LYS 85 -3.200 -9.157 -11.374 636 HA PRO 86 HA PRO 86 -10.100 -6.178 -6.248 637 HB2 PRO 86 1HB PRO 86 -10.426 -8.429 -4.701 638 HB3 PRO 86 2HB PRO 86 -11.700 -7.686 -5.721 639 HG2 PRO 86 1HG PRO 86 -9.893 -10.020 -6.397 640 HG3 PRO 86 2HG PRO 86 -11.667 -9.884 -6.624 641 HD2 PRO 86 1HD PRO 86 -9.925 -9.434 -8.654 642 HD3 PRO 86 2HD PRO 86 -11.397 -8.419 -8.490 643 H ILE 87 H ILE 87 -8.539 -5.301 -5.137 644 HA ILE 87 HA ILE 87 -6.000 -6.744 -4.604 645 HB ILE 87 HB ILE 87 -5.099 -4.548 -3.928 646 HG12 ILE 87 1HG1 ILE 87 -7.453 -3.228 -5.308 647 HG13 ILE 87 2HG1 ILE 87 -7.439 -3.461 -3.557 648 HG21 ILE 87 1HG2 ILE 87 -4.679 -5.505 -6.131 649 HG22 ILE 87 2HG2 ILE 87 -6.152 -4.761 -6.782 650 HG23 ILE 87 3HG2 ILE 87 -4.796 -3.748 -6.256 651 HD11 ILE 87 1HD1 ILE 87 -6.679 -1.221 -4.127 652 HD12 ILE 87 2HD1 ILE 87 -5.366 -2.142 -3.378 653 HD13 ILE 87 3HD1 ILE 87 -5.378 -1.872 -5.138 654 H ARG 88 H ARG 88 -5.136 -6.946 -2.579 655 HA ARG 88 HA ARG 88 -6.922 -6.329 -0.252 656 HB2 ARG 88 1HB ARG 88 -4.883 -8.573 -0.456 657 HB3 ARG 88 2HB ARG 88 -5.800 -8.142 0.982 658 HG2 ARG 88 1HG ARG 88 -6.864 -9.333 -1.598 659 HG3 ARG 88 2HG ARG 88 -6.820 -10.068 0.000 660 HD2 ARG 88 1HD ARG 88 -8.602 -7.802 -0.953 661 HD3 ARG 88 2HD ARG 88 -9.097 -9.422 -0.511 662 HE ARG 88 HE ARG 88 -8.407 -7.167 1.294 663 HH11 ARG 88 1HH1 ARG 88 -9.073 -10.616 1.272 664 HH12 ARG 88 2HH1 ARG 88 -9.630 -10.589 2.922 665 HH21 ARG 88 1HH2 ARG 88 -9.232 -7.174 3.282 666 HH22 ARG 88 2HH2 ARG 88 -9.669 -8.682 4.058 667 H VAL 89 H VAL 89 -6.152 -5.200 1.410 668 HA VAL 89 HA VAL 89 -3.353 -4.181 1.223 669 HB VAL 89 HB VAL 89 -5.808 -2.459 1.703 670 HG11 VAL 89 1HG1 VAL 89 -2.894 -1.671 1.257 671 HG12 VAL 89 2HG1 VAL 89 -4.269 -0.565 1.467 672 HG13 VAL 89 3HG1 VAL 89 -3.755 -1.592 2.802 673 HG21 VAL 89 1HG2 VAL 89 -5.745 -3.107 -0.657 674 HG22 VAL 89 2HG2 VAL 89 -5.186 -1.441 -0.509 675 HG23 VAL 89 3HG2 VAL 89 -4.007 -2.748 -0.734 676 H ASN 90 H ASN 90 -2.260 -3.893 3.069 677 HA ASN 90 HA ASN 90 -3.509 -3.746 5.702 678 HB2 ASN 90 1HB ASN 90 -2.356 -5.797 6.585 679 HB3 ASN 90 2HB ASN 90 -3.638 -6.143 5.444 680 HD21 ASN 90 1HD2 ASN 90 -0.015 -5.955 5.703 681 HD22 ASN 90 2HD2 ASN 90 0.195 -7.137 4.430 682 H LYS 91 H LYS 91 -1.722 -3.699 7.462 683 HA LYS 91 HA LYS 91 0.353 -1.786 6.829 684 HB2 LYS 91 1HB LYS 91 0.305 -3.769 9.146 685 HB3 LYS 91 2HB LYS 91 1.218 -2.272 9.072 686 HG2 LYS 91 1HG LYS 91 -1.825 -2.382 9.099 687 HG3 LYS 91 2HG LYS 91 -0.856 -2.325 10.549 688 HD2 LYS 91 1HD LYS 91 -0.345 -0.190 8.486 689 HD3 LYS 91 2HD LYS 91 -1.863 -0.118 9.377 690 HE2 LYS 91 1HE LYS 91 0.820 -0.302 10.776 691 HE3 LYS 91 2HE LYS 91 0.053 1.226 10.328 692 HZ1 LYS 91 1HZ LYS 91 -0.574 0.685 12.572 693 HZ2 LYS 91 2HZ LYS 91 -1.117 -0.798 12.157 694 HZ3 LYS 91 3HZ LYS 91 -1.919 0.531 11.645 695 H ALA 92 H ALA 92 2.545 -2.108 6.267 696 HA ALA 92 HA ALA 92 3.248 -4.649 5.080 697 HB1 ALA 92 1HB ALA 92 3.984 -2.444 4.225 698 HB2 ALA 92 2HB ALA 92 4.987 -2.229 5.681 699 HB3 ALA 92 3HB ALA 92 5.343 -3.536 4.530 700 H SER 93 H SER 93 3.245 -3.771 8.324 701 HA SER 93 HA SER 93 5.358 -5.613 9.232 702 HB2 SER 93 1HB SER 93 4.492 -4.862 11.475 703 HB3 SER 93 2HB SER 93 5.067 -3.542 10.438 704 HG SER 93 HG SER 93 3.058 -3.013 11.359 705 H ALA 94 H ALA 94 1.978 -5.809 8.386 706 HA ALA 94 HA ALA 94 1.114 -7.592 10.435 707 HB1 ALA 94 1HB ALA 94 -0.354 -6.062 9.136 708 HB2 ALA 94 2HB ALA 94 -0.092 -7.073 7.690 709 HB3 ALA 94 3HB ALA 94 -0.927 -7.738 9.104 710 H HIS 95 H HIS 95 3.055 -8.325 7.716 711 HA HIS 95 HA HIS 95 2.224 -11.076 7.288 712 HB2 HIS 95 1HB HIS 95 4.905 -9.761 6.720 713 HB3 HIS 95 2HB HIS 95 4.284 -11.243 6.002 714 HD2 HIS 95 2HD HIS 95 1.594 -10.598 4.753 715 HE1 HIS 95 1HE HIS 95 3.383 -7.159 2.980 716 HE2 HIS 95 2HE HIS 95 1.436 -8.795 2.830 717 H ASN 96 H ASN 96 3.998 -9.579 9.844 718 HA ASN 96 HA ASN 96 5.604 -11.921 10.542 719 HB2 ASN 96 1HB ASN 96 6.290 -9.485 10.811 720 HB3 ASN 96 2HB ASN 96 5.117 -9.364 12.121 721 HD21 ASN 96 1HD2 ASN 96 7.272 -8.682 13.166 722 HD22 ASN 96 2HD2 ASN 96 8.228 -9.977 13.871 723 H LYS 97 H LYS 97 5.459 -13.048 12.493 724 HA LYS 97 HA LYS 97 4.510 -14.471 13.959 725 HB2 LYS 97 1HB LYS 97 2.607 -12.208 14.651 726 HB3 LYS 97 2HB LYS 97 3.028 -13.576 15.666 727 HG2 LYS 97 1HG LYS 97 4.897 -11.320 14.831 728 HG3 LYS 97 2HG LYS 97 4.159 -11.570 16.411 729 HD2 LYS 97 1HD LYS 97 5.408 -13.728 16.643 730 HD3 LYS 97 2HD LYS 97 6.219 -13.396 15.093 731 HE2 LYS 97 1HE LYS 97 7.109 -11.271 16.012 732 HE3 LYS 97 2HE LYS 97 6.314 -11.601 17.556 733 HZ1 LYS 97 1HZ LYS 97 7.696 -13.600 17.767 734 HZ2 LYS 97 2HZ LYS 97 8.643 -12.283 17.603 735 HZ3 LYS 97 3HZ LYS 97 8.433 -13.295 16.339 736 H ASN 98 H ASN 98 2.593 -15.604 14.808 737 HA ASN 98 HA ASN 98 0.263 -15.838 13.052 738 HB2 ASN 98 1HB ASN 98 2.126 -17.276 12.032 739 HB3 ASN 98 2HB ASN 98 2.093 -18.242 13.506 740 HD21 ASN 98 1HD2 ASN 98 1.645 -19.971 11.830 741 HD22 ASN 98 2HD2 ASN 98 -0.034 -20.199 11.360 742 H LEU 99 H LEU 99 -1.355 -17.360 14.000 743 HA LEU 99 HA LEU 99 -1.466 -17.145 16.930 744 HB2 LEU 99 1HB LEU 99 -3.437 -16.626 15.561 745 HB3 LEU 99 2HB LEU 99 -3.404 -18.246 14.864 746 HG LEU 99 HG LEU 99 -3.893 -19.222 17.109 747 HD11 LEU 99 1HD1 LEU 99 -4.215 -16.313 17.977 748 HD12 LEU 99 2HD1 LEU 99 -2.988 -17.443 18.585 749 HD13 LEU 99 3HD1 LEU 99 -4.697 -17.737 18.922 750 HD21 LEU 99 1HD2 LEU 99 -5.711 -18.707 15.530 751 HD22 LEU 99 2HD2 LEU 99 -5.852 -17.071 16.212 752 HD23 LEU 99 3HD2 LEU 99 -6.234 -18.495 17.208 753 H SER 100 H SER 100 -0.912 -18.694 18.319 754 HA SER 100 HA SER 100 -0.571 -21.529 17.398 755 HB2 SER 100 1HB SER 100 1.050 -20.006 19.465 756 HB3 SER 100 2HB SER 100 1.279 -21.699 18.990 757 HG SER 100 HG SER 100 2.714 -20.281 17.890 758 H GLY 101 H GLY 101 -2.633 -19.765 19.299 759 HA2 GLY 101 1HA GLY 101 -2.739 -21.399 21.688 760 HA3 GLY 101 2HA GLY 101 -3.930 -20.206 21.183 761 HA PRO 102 HA PRO 102 -5.363 -24.688 20.227 762 HB2 PRO 102 1HB PRO 102 -6.630 -25.524 22.487 763 HB3 PRO 102 2HB PRO 102 -4.866 -25.707 22.247 764 HG2 PRO 102 1HG PRO 102 -6.320 -23.499 23.748 765 HG3 PRO 102 2HG PRO 102 -4.930 -24.485 24.308 766 HD2 PRO 102 1HD PRO 102 -4.597 -22.007 23.213 767 HD3 PRO 102 2HD PRO 102 -3.423 -23.325 22.915 768 H SER 103 H SER 103 -7.463 -25.200 19.557 769 HA SER 103 HA SER 103 -9.401 -22.991 19.508 770 HB2 SER 103 1HB SER 103 -10.552 -24.425 17.852 771 HB3 SER 103 2HB SER 103 -8.857 -24.108 17.443 772 HG SER 103 HG SER 103 -9.422 -26.329 17.183 773 H SER 104 H SER 104 -9.027 -25.905 21.340 774 HA SER 104 HA SER 104 -11.574 -25.474 22.743 775 HB2 SER 104 1HB SER 104 -12.074 -26.986 20.765 776 HB3 SER 104 2HB SER 104 -10.981 -28.182 21.485 777 HG SER 104 HG SER 104 -13.208 -28.484 22.071 778 H GLY 105 H GLY 105 -11.754 -26.907 24.653 779 HA2 GLY 105 1HA GLY 105 -9.557 -28.402 25.747 780 HA3 GLY 105 2HA GLY 105 -9.526 -26.757 26.386 Start of MODEL 10 1 H1 GLY 1 1H GLY 1 10.750 11.949 18.658 2 H2 GLY 1 2H GLY 1 9.168 11.828 19.066 3 H3 GLY 1 3H GLY 1 9.724 11.082 17.719 4 HA2 GLY 1 1HA GLY 1 11.094 9.597 19.024 5 HA3 GLY 1 2HA GLY 1 10.503 10.411 20.484 6 H SER 2 H SER 2 10.219 7.735 20.347 7 HA SER 2 HA SER 2 7.291 7.368 20.361 8 HB2 SER 2 1HB SER 2 7.945 6.692 18.080 9 HB3 SER 2 2HB SER 2 9.145 5.568 18.749 10 HG SER 2 HG SER 2 7.051 4.635 18.177 11 H SER 3 H SER 3 6.605 5.607 21.634 12 HA SER 3 HA SER 3 8.390 4.691 23.777 13 HB2 SER 3 1HB SER 3 6.350 3.515 24.551 14 HB3 SER 3 2HB SER 3 6.072 5.245 24.277 15 HG SER 3 HG SER 3 4.404 3.951 23.366 16 H GLY 4 H GLY 4 7.332 3.505 20.662 17 HA2 GLY 4 1HA GLY 4 7.812 1.591 19.481 18 HA3 GLY 4 2HA GLY 4 8.961 1.122 20.737 19 H SER 5 H SER 5 5.866 1.626 22.108 20 HA SER 5 HA SER 5 5.636 -0.969 23.089 21 HB2 SER 5 1HB SER 5 3.468 1.126 22.701 22 HB3 SER 5 2HB SER 5 3.295 -0.340 23.688 23 HG SER 5 HG SER 5 3.954 1.473 24.940 24 H SER 6 H SER 6 4.970 -2.843 22.361 25 HA SER 6 HA SER 6 4.177 -4.512 21.085 26 HB2 SER 6 1HB SER 6 1.924 -2.667 20.277 27 HB3 SER 6 2HB SER 6 1.914 -4.437 20.306 28 HG SER 6 HG SER 6 0.941 -3.251 22.156 29 H GLY 7 H GLY 7 5.874 -2.278 19.658 30 HA2 GLY 7 1HA GLY 7 5.088 -2.317 16.907 31 HA3 GLY 7 2HA GLY 7 6.638 -1.787 17.538 32 HA PRO 8 HA PRO 8 6.921 -6.295 15.865 33 HB2 PRO 8 1HB PRO 8 6.523 -6.363 13.185 34 HB3 PRO 8 2HB PRO 8 5.174 -6.403 14.359 35 HG2 PRO 8 1HG PRO 8 6.240 -3.984 12.873 36 HG3 PRO 8 2HG PRO 8 4.540 -4.543 13.006 37 HD2 PRO 8 1HD PRO 8 5.575 -2.630 14.664 38 HD3 PRO 8 2HD PRO 8 4.382 -3.830 15.244 39 H ILE 9 H ILE 9 8.195 -3.314 14.459 40 HA ILE 9 HA ILE 9 10.893 -4.456 14.395 41 HB ILE 9 HB ILE 9 10.090 -4.958 12.163 42 HG12 ILE 9 1HG1 ILE 9 11.725 -3.917 10.732 43 HG13 ILE 9 2HG1 ILE 9 12.067 -2.690 11.937 44 HG21 ILE 9 1HG2 ILE 9 8.342 -3.217 11.895 45 HG22 ILE 9 2HG2 ILE 9 9.607 -1.983 11.734 46 HG23 ILE 9 3HG2 ILE 9 9.451 -3.268 10.522 47 HD11 ILE 9 1HD1 ILE 9 12.481 -5.700 12.309 48 HD12 ILE 9 2HD1 ILE 9 13.749 -4.546 11.865 49 HD13 ILE 9 3HD1 ILE 9 12.983 -4.437 13.456 50 H SER 10 H SER 10 12.504 -2.992 14.729 51 HA SER 10 HA SER 10 11.764 -0.152 15.260 52 HB2 SER 10 1HB SER 10 13.717 -0.190 16.777 53 HB3 SER 10 2HB SER 10 12.477 -1.378 17.215 54 HG SER 10 HG SER 10 14.606 -2.270 17.256 55 H GLU 11 H GLU 11 13.457 -1.999 12.946 56 HA GLU 11 HA GLU 11 15.678 -0.091 12.591 57 HB2 GLU 11 1HB GLU 11 14.909 -2.575 11.016 58 HB3 GLU 11 2HB GLU 11 16.370 -1.610 10.776 59 HG2 GLU 11 1HG GLU 11 16.993 -2.045 13.185 60 HG3 GLU 11 2HG GLU 11 15.635 -3.168 13.289 61 H ARG 12 H ARG 12 12.540 -0.482 11.194 62 HA ARG 12 HA ARG 12 12.929 1.828 9.386 63 HB2 ARG 12 1HB ARG 12 12.294 -0.996 8.524 64 HB3 ARG 12 2HB ARG 12 11.366 0.276 7.755 65 HG2 ARG 12 1HG ARG 12 14.399 0.394 7.847 66 HG3 ARG 12 2HG ARG 12 13.546 -0.510 6.604 67 HD2 ARG 12 1HD ARG 12 12.987 2.435 7.142 68 HD3 ARG 12 2HD ARG 12 14.230 1.881 6.017 69 HE ARG 12 HE ARG 12 12.202 0.517 5.004 70 HH11 ARG 12 1HH1 ARG 12 12.048 3.902 6.001 71 HH12 ARG 12 2HH1 ARG 12 10.803 4.237 4.815 72 HH21 ARG 12 1HH2 ARG 12 10.710 1.123 3.471 73 HH22 ARG 12 2HH2 ARG 12 10.196 2.795 3.379 74 H ASN 13 H ASN 13 11.024 2.900 8.874 75 HA ASN 13 HA ASN 13 8.849 2.721 10.795 76 HB2 ASN 13 1HB ASN 13 8.009 4.730 9.600 77 HB3 ASN 13 2HB ASN 13 9.671 4.880 10.144 78 HD21 ASN 13 1HD2 ASN 13 7.722 4.129 7.229 79 HD22 ASN 13 2HD2 ASN 13 8.904 4.826 6.103 80 H GLN 14 H GLN 14 8.867 0.287 9.571 81 HA GLN 14 HA GLN 14 7.378 0.117 7.145 82 HB2 GLN 14 1HB GLN 14 9.098 -1.459 8.143 83 HB3 GLN 14 2HB GLN 14 7.815 -2.098 9.180 84 HG2 GLN 14 1HG GLN 14 6.575 -2.896 7.257 85 HG3 GLN 14 2HG GLN 14 7.636 -2.045 6.133 86 HE21 GLN 14 1HE2 GLN 14 7.035 -5.004 6.212 87 HE22 GLN 14 2HE2 GLN 14 8.628 -5.717 6.393 88 H ASP 15 H ASP 15 6.214 0.475 10.398 89 HA ASP 15 HA ASP 15 3.492 -0.438 9.939 90 HB2 ASP 15 1HB ASP 15 4.699 1.512 11.943 91 HB3 ASP 15 2HB ASP 15 3.027 0.952 11.968 92 H ALA 16 H ALA 16 5.234 2.494 9.065 93 HA ALA 16 HA ALA 16 2.741 3.921 8.340 94 HB1 ALA 16 1HB ALA 16 4.605 5.159 9.421 95 HB2 ALA 16 2HB ALA 16 5.640 4.775 8.025 96 HB3 ALA 16 3HB ALA 16 4.190 5.777 7.813 97 H THR 17 H THR 17 4.540 1.456 7.000 98 HA THR 17 HA THR 17 3.843 2.239 4.213 99 HB THR 17 HB THR 17 5.575 -0.084 5.085 100 HG1 THR 17 1HG THR 17 7.282 1.228 4.419 101 HG21 THR 17 1HG2 THR 17 6.375 -0.072 2.749 102 HG22 THR 17 2HG2 THR 17 5.311 1.284 2.362 103 HG23 THR 17 3HG2 THR 17 4.625 -0.303 2.767 104 H VAL 18 H VAL 18 2.371 1.073 3.051 105 HA VAL 18 HA VAL 18 0.949 -1.174 4.432 106 HB VAL 18 HB VAL 18 -1.015 -0.739 3.147 107 HG11 VAL 18 1HG1 VAL 18 -1.729 1.356 4.146 108 HG12 VAL 18 2HG1 VAL 18 -0.690 0.484 5.290 109 HG13 VAL 18 3HG1 VAL 18 -0.051 1.873 4.373 110 HG21 VAL 18 1HG2 VAL 18 -0.076 0.209 1.063 111 HG22 VAL 18 2HG2 VAL 18 -1.315 1.260 1.757 112 HG23 VAL 18 3HG2 VAL 18 0.395 1.672 1.960 113 H TYR 19 H TYR 19 0.452 -2.987 3.270 114 HA TYR 19 HA TYR 19 2.009 -3.554 0.782 115 HB2 TYR 19 1HB TYR 19 2.480 -5.169 2.467 116 HB3 TYR 19 2HB TYR 19 0.806 -5.243 2.982 117 HD1 TYR 19 1HD TYR 19 3.205 -6.386 0.393 118 HD2 TYR 19 2HD TYR 19 -0.862 -6.575 1.816 119 HE1 TYR 19 1HE TYR 19 2.799 -8.413 -1.002 120 HE2 TYR 19 2HE TYR 19 -1.268 -8.577 0.407 121 HH TYR 19 HH TYR 19 -0.350 -10.107 -1.047 122 H VAL 20 H VAL 20 0.933 -4.125 -1.052 123 HA VAL 20 HA VAL 20 -2.053 -4.244 -1.075 124 HB VAL 20 HB VAL 20 -0.379 -2.807 -3.177 125 HG11 VAL 20 1HG1 VAL 20 -2.593 -2.042 -3.971 126 HG12 VAL 20 2HG1 VAL 20 -2.508 -3.811 -3.980 127 HG13 VAL 20 3HG1 VAL 20 -3.389 -2.977 -2.692 128 HG21 VAL 20 1HG2 VAL 20 -1.355 -0.714 -2.361 129 HG22 VAL 20 2HG2 VAL 20 -2.087 -1.572 -0.981 130 HG23 VAL 20 3HG2 VAL 20 -0.321 -1.443 -1.139 131 H GLY 21 H GLY 21 -2.396 -6.344 -1.549 132 HA2 GLY 21 1HA GLY 21 -0.719 -7.737 -3.602 133 HA3 GLY 21 2HA GLY 21 -1.745 -8.511 -2.403 134 H GLY 22 H GLY 22 -1.600 -8.571 -5.440 135 HA2 GLY 22 1HA GLY 22 -3.349 -9.568 -6.726 136 HA3 GLY 22 2HA GLY 22 -4.566 -8.673 -5.815 137 H LEU 23 H LEU 23 -1.621 -7.390 -7.390 138 HA LEU 23 HA LEU 23 -3.124 -5.157 -8.517 139 HB2 LEU 23 1HB LEU 23 -0.189 -5.961 -8.685 140 HB3 LEU 23 2HB LEU 23 -0.855 -4.443 -9.281 141 HG LEU 23 HG LEU 23 -0.755 -5.345 -6.367 142 HD11 LEU 23 1HD1 LEU 23 0.848 -3.524 -6.130 143 HD12 LEU 23 2HD1 LEU 23 0.704 -3.127 -7.855 144 HD13 LEU 23 3HD1 LEU 23 1.406 -4.680 -7.358 145 HD21 LEU 23 1HD2 LEU 23 -2.704 -3.999 -6.538 146 HD22 LEU 23 2HD2 LEU 23 -1.942 -2.862 -7.662 147 HD23 LEU 23 3HD2 LEU 23 -1.434 -2.911 -5.964 148 H ASP 24 H ASP 24 -3.203 -4.585 -10.697 149 HA ASP 24 HA ASP 24 -3.252 -6.861 -12.568 150 HB2 ASP 24 1HB ASP 24 -5.242 -5.425 -12.395 151 HB3 ASP 24 2HB ASP 24 -4.278 -4.001 -12.784 152 H GLU 25 H GLU 25 -2.296 -6.630 -14.767 153 HA GLU 25 HA GLU 25 0.438 -5.873 -14.700 154 HB2 GLU 25 1HB GLU 25 0.475 -6.432 -17.047 155 HB3 GLU 25 2HB GLU 25 -0.460 -7.621 -16.142 156 HG2 GLU 25 1HG GLU 25 -2.573 -6.544 -16.919 157 HG3 GLU 25 2HG GLU 25 -1.631 -5.358 -17.826 158 H LYS 26 H LYS 26 -2.330 -3.849 -15.420 159 HA LYS 26 HA LYS 26 -0.742 -1.724 -16.698 160 HB2 LYS 26 1HB LYS 26 -3.614 -1.833 -15.709 161 HB3 LYS 26 2HB LYS 26 -2.900 -0.469 -16.577 162 HG2 LYS 26 1HG LYS 26 -2.394 -1.925 -18.510 163 HG3 LYS 26 2HG LYS 26 -3.135 -3.301 -17.697 164 HD2 LYS 26 1HD LYS 26 -4.541 -0.726 -18.507 165 HD3 LYS 26 2HD LYS 26 -4.634 -2.262 -19.363 166 HE2 LYS 26 1HE LYS 26 -5.670 -1.702 -16.550 167 HE3 LYS 26 2HE LYS 26 -6.645 -1.840 -18.016 168 HZ1 LYS 26 1HZ LYS 26 -5.771 -4.176 -18.191 169 HZ2 LYS 26 2HZ LYS 26 -6.718 -3.928 -16.884 170 HZ3 LYS 26 3HZ LYS 26 -5.102 -4.004 -16.693 171 H VAL 27 H VAL 27 -0.979 -2.663 -13.472 172 HA VAL 27 HA VAL 27 -0.910 0.013 -12.273 173 HB VAL 27 HB VAL 27 -0.323 -2.706 -11.044 174 HG11 VAL 27 1HG1 VAL 27 -0.681 -1.560 -8.895 175 HG12 VAL 27 2HG1 VAL 27 0.742 -0.948 -9.710 176 HG13 VAL 27 3HG1 VAL 27 -0.754 0.002 -9.717 177 HG21 VAL 27 1HG2 VAL 27 -2.578 -2.428 -10.013 178 HG22 VAL 27 2HG2 VAL 27 -2.817 -0.945 -10.958 179 HG23 VAL 27 3HG2 VAL 27 -2.670 -2.515 -11.774 180 H SER 28 H SER 28 0.806 1.187 -11.642 181 HA SER 28 HA SER 28 3.552 0.030 -11.682 182 HB2 SER 28 1HB SER 28 2.779 2.696 -12.935 183 HB3 SER 28 2HB SER 28 4.428 2.077 -12.732 184 HG SER 28 HG SER 28 3.599 1.698 -14.844 185 H GLU 29 H GLU 29 5.107 1.326 -10.386 186 HA GLU 29 HA GLU 29 4.105 1.991 -7.853 187 HB2 GLU 29 1HB GLU 29 6.710 2.456 -9.318 188 HB3 GLU 29 2HB GLU 29 6.487 3.280 -7.793 189 HG2 GLU 29 1HG GLU 29 6.643 1.411 -6.541 190 HG3 GLU 29 2HG GLU 29 5.735 0.434 -7.668 191 HA PRO 30 HA PRO 30 4.125 6.691 -8.879 192 HB2 PRO 30 1HB PRO 30 3.515 6.621 -11.829 193 HB3 PRO 30 2HB PRO 30 4.443 7.834 -10.894 194 HG2 PRO 30 1HG PRO 30 5.753 6.010 -12.396 195 HG3 PRO 30 2HG PRO 30 6.334 6.361 -10.731 196 HD2 PRO 30 1HD PRO 30 4.546 4.088 -11.652 197 HD3 PRO 30 2HD PRO 30 6.026 4.014 -10.652 198 H LEU 31 H LEU 31 2.020 4.313 -10.489 199 HA LEU 31 HA LEU 31 -0.409 5.921 -10.353 200 HB2 LEU 31 1HB LEU 31 -0.204 3.927 -11.873 201 HB3 LEU 31 2HB LEU 31 -0.074 2.892 -10.453 202 HG LEU 31 HG LEU 31 -2.395 3.780 -9.709 203 HD11 LEU 31 1HD1 LEU 31 -2.479 5.728 -11.215 204 HD12 LEU 31 2HD1 LEU 31 -3.798 4.598 -11.560 205 HD13 LEU 31 3HD1 LEU 31 -2.372 4.645 -12.627 206 HD21 LEU 31 1HD2 LEU 31 -2.003 2.133 -12.232 207 HD22 LEU 31 2HD2 LEU 31 -3.522 2.228 -11.309 208 HD23 LEU 31 3HD2 LEU 31 -2.079 1.548 -10.547 209 H LEU 32 H LEU 32 0.988 3.247 -8.387 210 HA LEU 32 HA LEU 32 -0.986 3.263 -6.362 211 HB2 LEU 32 1HB LEU 32 2.001 2.684 -6.044 212 HB3 LEU 32 2HB LEU 32 0.737 2.287 -4.884 213 HG LEU 32 HG LEU 32 1.182 1.066 -7.614 214 HD11 LEU 32 1HD1 LEU 32 1.376 -0.996 -6.306 215 HD12 LEU 32 2HD1 LEU 32 1.009 -0.114 -4.805 216 HD13 LEU 32 3HD1 LEU 32 2.523 0.212 -5.693 217 HD21 LEU 32 1HD2 LEU 32 -1.211 1.254 -7.434 218 HD22 LEU 32 2HD2 LEU 32 -1.180 0.786 -5.711 219 HD23 LEU 32 3HD2 LEU 32 -0.800 -0.406 -6.964 220 H TRP 33 H TRP 33 1.968 5.243 -6.588 221 HA TRP 33 HA TRP 33 1.748 6.556 -4.095 222 HB2 TRP 33 1HB TRP 33 3.644 6.554 -5.785 223 HB3 TRP 33 2HB TRP 33 2.771 7.746 -6.712 224 HD1 TRP 33 HD TRP 33 1.964 9.726 -4.272 225 HE1 TRP 33 1HE TRP 33 3.809 11.096 -3.114 226 HE3 TRP 33 3HE TRP 33 5.983 6.943 -5.665 227 HZ2 TRP 33 2HZ TRP 33 6.694 11.019 -2.883 228 HZ3 TRP 33 3HZ TRP 33 8.302 7.615 -4.994 229 HH2 TRP 33 HH TRP 33 8.656 9.650 -3.609 230 H GLU 34 H GLU 34 0.732 7.909 -7.257 231 HA GLU 34 HA GLU 34 -0.686 10.110 -6.120 232 HB2 GLU 34 1HB GLU 34 -0.906 8.790 -8.862 233 HB3 GLU 34 2HB GLU 34 -1.689 10.317 -8.417 234 HG2 GLU 34 1HG GLU 34 0.585 11.192 -7.746 235 HG3 GLU 34 2HG GLU 34 1.307 9.770 -8.487 236 H LEU 35 H LEU 35 -1.853 6.867 -6.852 237 HA LEU 35 HA LEU 35 -4.661 7.466 -6.514 238 HB2 LEU 35 1HB LEU 35 -3.526 5.443 -7.695 239 HB3 LEU 35 2HB LEU 35 -3.328 4.785 -6.063 240 HG LEU 35 HG LEU 35 -5.892 5.132 -5.877 241 HD11 LEU 35 1HD1 LEU 35 -5.608 5.144 -8.899 242 HD12 LEU 35 2HD1 LEU 35 -6.203 6.493 -7.903 243 HD13 LEU 35 3HD1 LEU 35 -7.126 4.985 -7.989 244 HD21 LEU 35 1HD2 LEU 35 -4.814 2.949 -5.954 245 HD22 LEU 35 2HD2 LEU 35 -4.745 3.027 -7.732 246 HD23 LEU 35 3HD2 LEU 35 -6.313 2.941 -6.887 247 H PHE 36 H PHE 36 -2.086 6.487 -4.233 248 HA PHE 36 HA PHE 36 -3.999 6.108 -2.022 249 HB2 PHE 36 1HB PHE 36 -1.071 5.590 -2.449 250 HB3 PHE 36 2HB PHE 36 -1.696 5.673 -0.852 251 HD1 PHE 36 1HD PHE 36 -2.272 3.660 0.180 252 HD2 PHE 36 2HD PHE 36 -2.649 3.952 -4.096 253 HE1 PHE 36 1HE PHE 36 -3.039 1.303 0.080 254 HE2 PHE 36 2HE PHE 36 -3.336 1.580 -4.203 255 HZ PHE 36 HZ PHE 36 -3.592 0.265 -2.108 256 H LEU 37 H LEU 37 -2.195 8.777 -3.238 257 HA LEU 37 HA LEU 37 -1.860 10.390 -0.966 258 HB2 LEU 37 1HB LEU 37 -2.746 10.983 -3.806 259 HB3 LEU 37 2HB LEU 37 -2.558 12.274 -2.627 260 HG LEU 37 HG LEU 37 -0.332 10.454 -3.579 261 HD11 LEU 37 1HD1 LEU 37 -1.121 12.171 -5.212 262 HD12 LEU 37 2HD1 LEU 37 0.533 12.463 -4.644 263 HD13 LEU 37 3HD1 LEU 37 -0.814 13.426 -3.997 264 HD21 LEU 37 1HD2 LEU 37 1.146 12.017 -2.328 265 HD22 LEU 37 2HD2 LEU 37 0.083 11.079 -1.272 266 HD23 LEU 37 3HD2 LEU 37 -0.303 12.776 -1.619 267 H GLN 38 H GLN 38 -4.851 9.290 -2.252 268 HA GLN 38 HA GLN 38 -6.684 11.192 -1.130 269 HB2 GLN 38 1HB GLN 38 -7.109 8.205 -1.593 270 HB3 GLN 38 2HB GLN 38 -8.364 9.442 -1.426 271 HG2 GLN 38 1HG GLN 38 -7.478 10.561 -3.500 272 HG3 GLN 38 2HG GLN 38 -6.303 9.236 -3.637 273 HE21 GLN 38 1HE2 GLN 38 -6.997 7.191 -4.377 274 HE22 GLN 38 2HE2 GLN 38 -8.631 6.936 -5.014 275 H ALA 39 H ALA 39 -5.015 8.399 0.279 276 HA ALA 39 HA ALA 39 -6.575 8.439 2.764 277 HB1 ALA 39 1HB ALA 39 -5.631 6.341 1.894 278 HB2 ALA 39 2HB ALA 39 -3.998 7.014 1.983 279 HB3 ALA 39 3HB ALA 39 -4.910 6.733 3.472 280 H GLY 40 H GLY 40 -3.262 9.389 1.797 281 HA2 GLY 40 1HA GLY 40 -3.155 11.697 3.485 282 HA3 GLY 40 2HA GLY 40 -2.334 10.346 4.273 283 HA PRO 41 HA PRO 41 0.580 12.598 1.345 284 HB2 PRO 41 1HB PRO 41 2.586 13.152 3.144 285 HB3 PRO 41 2HB PRO 41 1.161 14.201 2.876 286 HG2 PRO 41 1HG PRO 41 1.534 12.096 5.026 287 HG3 PRO 41 2HG PRO 41 0.992 13.790 5.228 288 HD2 PRO 41 1HD PRO 41 -0.753 11.709 5.089 289 HD3 PRO 41 2HD PRO 41 -1.157 13.255 4.289 290 H VAL 42 H VAL 42 1.384 11.071 0.099 291 HA VAL 42 HA VAL 42 2.782 8.689 1.142 292 HB VAL 42 HB VAL 42 2.070 9.472 -1.697 293 HG11 VAL 42 1HG1 VAL 42 2.647 7.094 -2.218 294 HG12 VAL 42 2HG1 VAL 42 4.054 8.014 -1.717 295 HG13 VAL 42 3HG1 VAL 42 3.275 6.899 -0.575 296 HG21 VAL 42 1HG2 VAL 42 0.423 7.651 -1.552 297 HG22 VAL 42 2HG2 VAL 42 0.866 7.367 0.145 298 HG23 VAL 42 3HG2 VAL 42 0.082 8.884 -0.340 299 H VAL 43 H VAL 43 4.844 8.370 1.097 300 HA VAL 43 HA VAL 43 6.697 10.602 0.407 301 HB VAL 43 HB VAL 43 7.171 8.257 2.286 302 HG11 VAL 43 1HG1 VAL 43 8.753 9.816 3.383 303 HG12 VAL 43 2HG1 VAL 43 9.201 9.514 1.698 304 HG13 VAL 43 3HG1 VAL 43 8.402 11.043 2.152 305 HG21 VAL 43 1HG2 VAL 43 5.990 10.971 3.001 306 HG22 VAL 43 2HG2 VAL 43 5.189 9.387 3.125 307 HG23 VAL 43 3HG2 VAL 43 6.571 9.742 4.154 308 H ASN 44 H ASN 44 6.149 7.148 -0.082 309 HA ASN 44 HA ASN 44 8.097 6.919 -2.245 310 HB2 ASN 44 1HB ASN 44 9.627 6.785 -0.384 311 HB3 ASN 44 2HB ASN 44 8.569 5.739 0.526 312 HD21 ASN 44 1HD2 ASN 44 9.576 3.814 0.750 313 HD22 ASN 44 2HD2 ASN 44 10.376 2.965 -0.580 314 H THR 45 H THR 45 7.972 4.782 -3.292 315 HA THR 45 HA THR 45 5.824 2.929 -2.446 316 HB THR 45 HB THR 45 5.270 2.595 -4.937 317 HG1 THR 45 1HG THR 45 5.382 4.537 -6.125 318 HG21 THR 45 1HG2 THR 45 3.496 4.146 -4.936 319 HG22 THR 45 2HG2 THR 45 4.290 5.179 -3.706 320 HG23 THR 45 3HG2 THR 45 3.705 3.547 -3.294 321 H HIS 46 H HIS 46 6.054 0.772 -3.255 322 HA HIS 46 HA HIS 46 8.554 0.137 -4.715 323 HB2 HIS 46 1HB HIS 46 8.854 0.029 -2.094 324 HB3 HIS 46 2HB HIS 46 7.868 -1.413 -2.207 325 HD2 HIS 46 2HD HIS 46 11.391 -0.187 -2.786 326 HE1 HIS 46 1HE HIS 46 11.328 -4.153 -4.358 327 HE2 HIS 46 2HE HIS 46 12.826 -2.195 -3.716 328 H MET 47 H MET 47 8.185 -1.414 -6.235 329 HA MET 47 HA MET 47 6.106 -3.505 -5.701 330 HB2 MET 47 1HB MET 47 6.378 -1.885 -8.244 331 HB3 MET 47 2HB MET 47 5.635 -3.485 -8.194 332 HG2 MET 47 1HG MET 47 3.936 -2.784 -6.684 333 HG3 MET 47 2HG MET 47 4.713 -1.227 -6.392 334 HE1 MET 47 1HE MET 47 2.452 -2.441 -10.222 335 HE2 MET 47 2HE MET 47 4.153 -2.900 -10.015 336 HE3 MET 47 3HE MET 47 2.925 -3.515 -8.881 337 HA PRO 48 HA PRO 48 10.055 -5.591 -6.457 338 HB2 PRO 48 1HB PRO 48 8.258 -7.904 -5.685 339 HB3 PRO 48 2HB PRO 48 9.980 -7.624 -5.258 340 HG2 PRO 48 1HG PRO 48 8.090 -7.001 -3.456 341 HG3 PRO 48 2HG PRO 48 9.375 -5.804 -3.787 342 HD2 PRO 48 1HD PRO 48 6.560 -5.889 -4.933 343 HD3 PRO 48 2HD PRO 48 7.433 -4.501 -4.207 344 H LYS 49 H LYS 49 10.878 -6.636 -8.209 345 HA LYS 49 HA LYS 49 9.005 -7.236 -10.454 346 HB2 LYS 49 1HB LYS 49 11.916 -6.403 -10.627 347 HB3 LYS 49 2HB LYS 49 10.785 -6.589 -11.958 348 HG2 LYS 49 1HG LYS 49 10.756 -4.439 -9.812 349 HG3 LYS 49 2HG LYS 49 11.154 -4.255 -11.520 350 HD2 LYS 49 1HD LYS 49 8.768 -4.953 -12.065 351 HD3 LYS 49 2HD LYS 49 8.411 -4.852 -10.339 352 HE2 LYS 49 1HE LYS 49 9.310 -2.586 -12.177 353 HE3 LYS 49 2HE LYS 49 7.711 -2.815 -11.463 354 HZ1 LYS 49 1HZ LYS 49 10.195 -2.041 -10.060 355 HZ2 LYS 49 2HZ LYS 49 8.914 -2.643 -9.243 356 HZ3 LYS 49 3HZ LYS 49 8.758 -1.248 -10.068 357 H ASP 50 H ASP 50 9.329 -8.904 -11.830 358 HA ASP 50 HA ASP 50 10.464 -11.374 -10.863 359 HB2 ASP 50 1HB ASP 50 8.504 -11.313 -12.317 360 HB3 ASP 50 2HB ASP 50 9.409 -10.467 -13.568 361 H ARG 51 H ARG 51 12.378 -12.374 -11.346 362 HA ARG 51 HA ARG 51 14.551 -10.662 -12.225 363 HB2 ARG 51 1HB ARG 51 16.015 -12.342 -11.355 364 HB3 ARG 51 2HB ARG 51 14.688 -12.083 -10.227 365 HG2 ARG 51 1HG ARG 51 13.575 -14.162 -11.083 366 HG3 ARG 51 2HG ARG 51 14.943 -14.416 -12.183 367 HD2 ARG 51 1HD ARG 51 16.479 -14.530 -10.216 368 HD3 ARG 51 2HD ARG 51 15.100 -14.297 -9.145 369 HE ARG 51 HE ARG 51 14.412 -16.489 -9.481 370 HH11 ARG 51 1HH1 ARG 51 14.653 -18.609 -10.072 371 HH12 ARG 51 2HH1 ARG 51 15.844 -19.056 -11.257 372 HH21 ARG 51 1HH2 ARG 51 16.992 -15.867 -11.777 373 HH22 ARG 51 2HH2 ARG 51 17.136 -17.551 -12.201 374 H VAL 52 H VAL 52 12.592 -12.055 -14.306 375 HA VAL 52 HA VAL 52 14.756 -12.799 -16.250 376 HB VAL 52 HB VAL 52 12.104 -14.267 -15.943 377 HG11 VAL 52 1HG1 VAL 52 12.950 -14.314 -18.250 378 HG12 VAL 52 2HG1 VAL 52 14.550 -14.835 -17.672 379 HG13 VAL 52 3HG1 VAL 52 13.135 -15.898 -17.502 380 HG21 VAL 52 1HG2 VAL 52 13.492 -14.888 -14.046 381 HG22 VAL 52 2HG2 VAL 52 13.497 -16.208 -15.208 382 HG23 VAL 52 3HG2 VAL 52 14.905 -15.128 -15.104 383 H THR 53 H THR 53 11.442 -11.618 -15.729 384 HA THR 53 HA THR 53 11.354 -10.539 -18.510 385 HB THR 53 HB THR 53 8.924 -10.597 -18.296 386 HG1 THR 53 1HG THR 53 9.405 -11.850 -15.796 387 HG21 THR 53 1HG2 THR 53 8.531 -12.990 -18.304 388 HG22 THR 53 2HG2 THR 53 10.079 -13.303 -17.491 389 HG23 THR 53 3HG2 THR 53 10.054 -12.643 -19.142 390 H GLY 54 H GLY 54 11.569 -9.608 -15.226 391 HA2 GLY 54 1HA GLY 54 11.800 -7.586 -14.266 392 HA3 GLY 54 2HA GLY 54 11.777 -6.874 -15.883 393 H GLN 55 H GLN 55 8.905 -8.603 -15.330 394 HA GLN 55 HA GLN 55 7.290 -6.167 -14.993 395 HB2 GLN 55 1HB GLN 55 6.371 -9.064 -15.113 396 HB3 GLN 55 2HB GLN 55 5.397 -7.615 -15.360 397 HG2 GLN 55 1HG GLN 55 7.541 -8.749 -17.197 398 HG3 GLN 55 2HG GLN 55 5.820 -8.633 -17.506 399 HE21 GLN 55 1HE2 GLN 55 8.820 -7.106 -18.076 400 HE22 GLN 55 2HE2 GLN 55 8.167 -5.552 -18.593 401 H HIS 56 H HIS 56 5.583 -6.044 -13.240 402 HA HIS 56 HA HIS 56 6.796 -6.634 -10.672 403 HB2 HIS 56 1HB HIS 56 5.033 -5.513 -9.648 404 HB3 HIS 56 2HB HIS 56 5.400 -4.619 -11.115 405 HD2 HIS 56 2HD HIS 56 3.324 -4.042 -12.609 406 HE1 HIS 56 1HE HIS 56 0.457 -6.651 -10.842 407 HE2 HIS 56 2HE HIS 56 0.780 -4.747 -12.476 408 H GLN 57 H GLN 57 6.054 -7.949 -8.982 409 HA GLN 57 HA GLN 57 5.212 -10.562 -9.986 410 HB2 GLN 57 1HB GLN 57 6.209 -9.728 -7.248 411 HB3 GLN 57 2HB GLN 57 5.944 -11.393 -7.797 412 HG2 GLN 57 1HG GLN 57 7.582 -10.925 -9.694 413 HG3 GLN 57 2HG GLN 57 7.999 -9.426 -8.863 414 HE21 GLN 57 1HE2 GLN 57 8.253 -10.077 -6.191 415 HE22 GLN 57 2HE2 GLN 57 9.446 -11.349 -6.027 416 H GLY 58 H GLY 58 3.105 -8.369 -9.603 417 HA2 GLY 58 1HA GLY 58 0.808 -8.608 -9.362 418 HA3 GLY 58 2HA GLY 58 1.025 -10.127 -8.498 419 H TYR 59 H TYR 59 3.000 -7.806 -7.031 420 HA TYR 59 HA TYR 59 0.924 -6.647 -5.300 421 HB2 TYR 59 1HB TYR 59 1.886 -7.436 -3.250 422 HB3 TYR 59 2HB TYR 59 1.432 -8.804 -4.241 423 HD1 TYR 59 1HD TYR 59 3.191 -10.180 -5.388 424 HD2 TYR 59 2HD TYR 59 4.185 -7.059 -2.579 425 HE1 TYR 59 1HE TYR 59 5.490 -11.113 -5.162 426 HE2 TYR 59 2HE TYR 59 6.450 -8.042 -2.296 427 HH TYR 59 HH TYR 59 7.926 -9.673 -2.965 428 H GLY 60 H GLY 60 1.694 -5.011 -3.873 429 HA2 GLY 60 1HA GLY 60 4.329 -3.761 -4.405 430 HA3 GLY 60 2HA GLY 60 2.870 -2.869 -4.843 431 H PHE 61 H PHE 61 4.254 -1.515 -3.271 432 HA PHE 61 HA PHE 61 2.925 -1.563 -0.636 433 HB2 PHE 61 1HB PHE 61 5.906 -1.155 -1.092 434 HB3 PHE 61 2HB PHE 61 5.083 -0.992 0.441 435 HD1 PHE 61 1HD PHE 61 6.358 -3.389 -2.063 436 HD2 PHE 61 2HD PHE 61 4.412 -2.930 1.754 437 HE1 PHE 61 1HE PHE 61 6.886 -5.753 -1.511 438 HE2 PHE 61 2HE PHE 61 4.967 -5.293 2.319 439 HZ PHE 61 HZ PHE 61 6.194 -6.707 0.682 440 H VAL 62 H VAL 62 2.711 0.456 0.358 441 HA VAL 62 HA VAL 62 3.682 2.876 -1.107 442 HB VAL 62 HB VAL 62 0.879 2.678 0.054 443 HG11 VAL 62 1HG1 VAL 62 2.257 4.772 -1.669 444 HG12 VAL 62 2HG1 VAL 62 0.569 4.804 -1.131 445 HG13 VAL 62 3HG1 VAL 62 1.848 4.936 0.060 446 HG21 VAL 62 1HG2 VAL 62 1.773 2.466 -2.839 447 HG22 VAL 62 2HG2 VAL 62 0.871 1.258 -1.903 448 HG23 VAL 62 3HG2 VAL 62 0.105 2.789 -2.324 449 H GLU 63 H GLU 63 4.709 4.264 0.186 450 HA GLU 63 HA GLU 63 4.646 3.803 3.132 451 HB2 GLU 63 1HB GLU 63 6.754 3.492 1.883 452 HB3 GLU 63 2HB GLU 63 6.680 5.205 1.404 453 HG2 GLU 63 1HG GLU 63 6.923 5.962 3.651 454 HG3 GLU 63 2HG GLU 63 6.686 4.345 4.308 455 H PHE 64 H PHE 64 3.549 5.182 4.332 456 HA PHE 64 HA PHE 64 2.927 7.912 3.363 457 HB2 PHE 64 1HB PHE 64 1.810 6.204 5.618 458 HB3 PHE 64 2HB PHE 64 1.391 7.886 5.351 459 HD1 PHE 64 1HD PHE 64 0.171 8.637 3.395 460 HD2 PHE 64 2HD PHE 64 0.970 4.457 4.056 461 HE1 PHE 64 1HE PHE 64 -1.564 8.034 1.709 462 HE2 PHE 64 2HE PHE 64 -0.769 3.860 2.377 463 HZ PHE 64 HZ PHE 64 -2.057 5.671 1.234 464 H LEU 65 H LEU 65 3.057 9.693 4.819 465 HA LEU 65 HA LEU 65 5.542 9.994 6.154 466 HB2 LEU 65 1HB LEU 65 3.912 11.758 5.168 467 HB3 LEU 65 2HB LEU 65 3.025 11.597 6.690 468 HG LEU 65 HG LEU 65 5.244 12.192 7.866 469 HD11 LEU 65 1HD1 LEU 65 5.929 13.101 5.034 470 HD12 LEU 65 2HD1 LEU 65 6.774 11.832 5.948 471 HD13 LEU 65 3HD1 LEU 65 6.842 13.508 6.504 472 HD21 LEU 65 1HD2 LEU 65 3.932 14.250 6.033 473 HD22 LEU 65 2HD2 LEU 65 4.908 14.612 7.477 474 HD23 LEU 65 3HD2 LEU 65 3.359 13.771 7.646 475 H SER 66 H SER 66 2.401 8.938 7.413 476 HA SER 66 HA SER 66 3.635 8.263 10.044 477 HB2 SER 66 1HB SER 66 1.042 9.834 9.851 478 HB3 SER 66 2HB SER 66 1.930 9.376 11.306 479 HG SER 66 HG SER 66 3.645 10.752 10.616 480 H GLU 67 H GLU 67 2.480 6.924 11.360 481 HA GLU 67 HA GLU 67 1.533 4.600 10.049 482 HB2 GLU 67 1HB GLU 67 1.380 5.557 12.926 483 HB3 GLU 67 2HB GLU 67 1.012 3.915 12.399 484 HG2 GLU 67 1HG GLU 67 3.291 3.585 11.594 485 HG3 GLU 67 2HG GLU 67 3.715 5.249 11.997 486 H GLU 68 H GLU 68 -0.304 7.255 11.554 487 HA GLU 68 HA GLU 68 -2.868 5.933 11.451 488 HB2 GLU 68 1HB GLU 68 -3.798 8.103 11.980 489 HB3 GLU 68 2HB GLU 68 -2.412 7.739 13.005 490 HG2 GLU 68 1HG GLU 68 -0.986 9.215 11.561 491 HG3 GLU 68 2HG GLU 68 -2.409 9.614 10.596 492 H ASP 69 H ASP 69 -1.019 7.690 9.045 493 HA ASP 69 HA ASP 69 -3.253 8.027 7.166 494 HB2 ASP 69 1HB ASP 69 -0.240 8.280 6.877 495 HB3 ASP 69 2HB ASP 69 -1.375 8.622 5.592 496 H ALA 70 H ALA 70 -0.702 5.616 7.805 497 HA ALA 70 HA ALA 70 -1.327 3.950 5.519 498 HB1 ALA 70 1HB ALA 70 -0.013 2.236 6.810 499 HB2 ALA 70 2HB ALA 70 0.827 3.795 6.703 500 HB3 ALA 70 3HB ALA 70 0.017 3.310 8.205 501 H ASP 71 H ASP 71 -2.396 3.887 8.977 502 HA ASP 71 HA ASP 71 -4.203 1.719 8.820 503 HB2 ASP 71 1HB ASP 71 -3.845 4.103 10.569 504 HB3 ASP 71 2HB ASP 71 -5.473 3.451 10.535 505 H TYR 72 H TYR 72 -4.702 5.100 7.789 506 HA TYR 72 HA TYR 72 -7.524 4.748 7.202 507 HB2 TYR 72 1HB TYR 72 -6.323 6.919 7.760 508 HB3 TYR 72 2HB TYR 72 -5.678 6.899 6.123 509 HD1 TYR 72 1HD TYR 72 -8.538 7.655 8.235 510 HD2 TYR 72 2HD TYR 72 -7.350 6.912 4.159 511 HE1 TYR 72 1HE TYR 72 -10.636 8.728 7.420 512 HE2 TYR 72 2HE TYR 72 -9.419 8.017 3.344 513 HH TYR 72 HH TYR 72 -11.378 9.062 3.929 514 H ALA 73 H ALA 73 -4.523 4.475 5.210 515 HA ALA 73 HA ALA 73 -5.923 4.183 2.693 516 HB1 ALA 73 1HB ALA 73 -3.544 4.817 2.913 517 HB2 ALA 73 2HB ALA 73 -3.166 3.214 3.573 518 HB3 ALA 73 3HB ALA 73 -3.756 3.374 1.902 519 H ILE 74 H ILE 74 -4.911 1.865 5.203 520 HA ILE 74 HA ILE 74 -5.795 -0.524 3.873 521 HB ILE 74 HB ILE 74 -5.578 0.154 6.833 522 HG12 ILE 74 1HG1 ILE 74 -3.617 -1.442 5.137 523 HG13 ILE 74 2HG1 ILE 74 -3.473 0.302 5.321 524 HG21 ILE 74 1HG2 ILE 74 -5.870 -2.542 5.435 525 HG22 ILE 74 2HG2 ILE 74 -5.434 -2.348 7.148 526 HG23 ILE 74 3HG2 ILE 74 -7.008 -1.814 6.586 527 HD11 ILE 74 1HD1 ILE 74 -3.282 0.061 7.761 528 HD12 ILE 74 2HD1 ILE 74 -3.339 -1.708 7.587 529 HD13 ILE 74 3HD1 ILE 74 -2.010 -0.778 6.868 530 H LYS 75 H LYS 75 -7.552 1.916 5.774 531 HA LYS 75 HA LYS 75 -10.041 0.461 5.933 532 HB2 LYS 75 1HB LYS 75 -9.433 2.263 7.481 533 HB3 LYS 75 2HB LYS 75 -9.465 3.445 6.169 534 HG2 LYS 75 1HG LYS 75 -11.847 3.119 5.829 535 HG3 LYS 75 2HG LYS 75 -11.863 1.805 7.022 536 HD2 LYS 75 1HD LYS 75 -11.204 3.430 8.800 537 HD3 LYS 75 2HD LYS 75 -11.102 4.710 7.587 538 HE2 LYS 75 1HE LYS 75 -13.178 4.992 8.726 539 HE3 LYS 75 2HE LYS 75 -13.535 4.428 7.092 540 HZ1 LYS 75 1HZ LYS 75 -14.851 3.258 8.777 541 HZ2 LYS 75 2HZ LYS 75 -13.510 2.711 9.525 542 HZ3 LYS 75 3HZ LYS 75 -13.880 2.193 8.017 543 H ILE 76 H ILE 76 -8.845 2.884 3.540 544 HA ILE 76 HA ILE 76 -11.386 2.631 2.083 545 HB ILE 76 HB ILE 76 -10.536 4.386 0.637 546 HG12 ILE 76 1HG1 ILE 76 -8.194 4.811 2.514 547 HG13 ILE 76 2HG1 ILE 76 -8.018 3.851 1.064 548 HG21 ILE 76 1HG2 ILE 76 -11.845 4.811 2.741 549 HG22 ILE 76 2HG2 ILE 76 -10.311 5.071 3.605 550 HG23 ILE 76 3HG2 ILE 76 -10.798 6.160 2.292 551 HD11 ILE 76 1HD1 ILE 76 -8.904 5.821 -0.257 552 HD12 ILE 76 2HD1 ILE 76 -8.799 6.768 1.251 553 HD13 ILE 76 3HD1 ILE 76 -7.340 6.065 0.527 554 H MET 77 H MET 77 -8.013 1.586 1.429 555 HA MET 77 HA MET 77 -8.754 0.951 -1.344 556 HB2 MET 77 1HB MET 77 -6.142 0.968 0.097 557 HB3 MET 77 2HB MET 77 -6.292 0.420 -1.563 558 HG2 MET 77 1HG MET 77 -7.275 3.152 -0.726 559 HG3 MET 77 2HG MET 77 -5.605 2.868 -1.145 560 HE1 MET 77 1HE MET 77 -7.054 4.856 -4.111 561 HE2 MET 77 2HE MET 77 -6.703 5.005 -2.385 562 HE3 MET 77 3HE MET 77 -5.438 4.428 -3.507 563 H ASP 78 H ASP 78 -9.272 -0.776 1.289 564 HA ASP 78 HA ASP 78 -8.294 -3.366 0.256 565 HB2 ASP 78 1HB ASP 78 -8.109 -2.834 2.672 566 HB3 ASP 78 2HB ASP 78 -9.874 -2.800 2.785 567 H MET 79 H MET 79 -9.483 -4.945 -0.631 568 HA MET 79 HA MET 79 -11.004 -5.889 -1.912 569 HB2 MET 79 1HB MET 79 -13.120 -4.682 -0.106 570 HB3 MET 79 2HB MET 79 -13.381 -5.955 -1.298 571 HG2 MET 79 1HG MET 79 -11.537 -6.150 1.101 572 HG3 MET 79 2HG MET 79 -13.142 -6.859 0.970 573 HE1 MET 79 1HE MET 79 -10.249 -8.167 1.710 574 HE2 MET 79 2HE MET 79 -11.786 -9.043 1.884 575 HE3 MET 79 3HE MET 79 -10.437 -9.787 0.993 576 H ILE 80 H ILE 80 -10.317 -2.843 -2.288 577 HA ILE 80 HA ILE 80 -12.293 -1.949 -4.240 578 HB ILE 80 HB ILE 80 -9.658 -1.020 -3.178 579 HG12 ILE 80 1HG1 ILE 80 -12.378 0.203 -3.736 580 HG13 ILE 80 2HG1 ILE 80 -11.632 -0.164 -2.180 581 HG21 ILE 80 1HG2 ILE 80 -10.564 0.025 -5.865 582 HG22 ILE 80 2HG2 ILE 80 -9.213 0.612 -4.844 583 HG23 ILE 80 3HG2 ILE 80 -9.115 -0.979 -5.548 584 HD11 ILE 80 1HD1 ILE 80 -9.888 1.645 -2.763 585 HD12 ILE 80 2HD1 ILE 80 -10.940 2.080 -4.118 586 HD13 ILE 80 3HD1 ILE 80 -11.543 2.208 -2.460 587 H LYS 81 H LYS 81 -12.011 -1.892 -6.508 588 HA LYS 81 HA LYS 81 -10.404 -4.167 -7.596 589 HB2 LYS 81 1HB LYS 81 -13.064 -3.007 -8.461 590 HB3 LYS 81 2HB LYS 81 -12.173 -4.277 -9.319 591 HG2 LYS 81 1HG LYS 81 -12.267 -5.668 -7.187 592 HG3 LYS 81 2HG LYS 81 -13.332 -4.436 -6.504 593 HD2 LYS 81 1HD LYS 81 -14.774 -6.127 -7.285 594 HD3 LYS 81 2HD LYS 81 -14.880 -4.839 -8.495 595 HE2 LYS 81 1HE LYS 81 -13.168 -6.099 -9.873 596 HE3 LYS 81 2HE LYS 81 -13.235 -7.402 -8.682 597 HZ1 LYS 81 1HZ LYS 81 -14.722 -7.844 -10.553 598 HZ2 LYS 81 2HZ LYS 81 -15.551 -6.463 -10.293 599 HZ3 LYS 81 3HZ LYS 81 -15.603 -7.668 -9.191 600 H LEU 82 H LEU 82 -8.624 -2.587 -7.641 601 HA LEU 82 HA LEU 82 -8.507 -0.417 -9.500 602 HB2 LEU 82 1HB LEU 82 -6.888 -0.859 -7.658 603 HB3 LEU 82 2HB LEU 82 -6.305 -2.287 -8.510 604 HG LEU 82 HG LEU 82 -5.385 -0.913 -10.304 605 HD11 LEU 82 1HD1 LEU 82 -6.604 1.436 -8.789 606 HD12 LEU 82 2HD1 LEU 82 -6.947 0.943 -10.463 607 HD13 LEU 82 3HD1 LEU 82 -5.367 1.600 -10.051 608 HD21 LEU 82 1HD2 LEU 82 -4.694 0.210 -7.551 609 HD22 LEU 82 2HD2 LEU 82 -3.667 0.281 -8.995 610 HD23 LEU 82 3HD2 LEU 82 -4.040 -1.284 -8.252 611 H TYR 83 H TYR 83 -8.335 -0.379 -11.754 612 HA TYR 83 HA TYR 83 -8.972 -1.240 -13.763 613 HB2 TYR 83 1HB TYR 83 -6.511 -2.929 -13.253 614 HB3 TYR 83 2HB TYR 83 -7.235 -2.644 -14.824 615 HD1 TYR 83 1HD TYR 83 -4.660 -1.590 -12.729 616 HD2 TYR 83 2HD TYR 83 -7.645 -0.060 -15.440 617 HE1 TYR 83 1HE TYR 83 -3.227 0.386 -13.192 618 HE2 TYR 83 2HE TYR 83 -6.214 1.931 -15.886 619 HH TYR 83 HH TYR 83 -2.983 2.328 -14.399 620 H GLY 84 H GLY 84 -10.490 -2.707 -11.649 621 HA2 GLY 84 1HA GLY 84 -12.190 -4.252 -11.820 622 HA3 GLY 84 2HA GLY 84 -11.628 -4.710 -13.422 623 H LYS 85 H LYS 85 -9.548 -4.936 -10.568 624 HA LYS 85 HA LYS 85 -9.785 -7.862 -10.343 625 HB2 LYS 85 1HB LYS 85 -7.946 -7.355 -11.928 626 HB3 LYS 85 2HB LYS 85 -7.190 -6.308 -10.720 627 HG2 LYS 85 1HG LYS 85 -6.960 -8.284 -9.193 628 HG3 LYS 85 2HG LYS 85 -7.681 -9.310 -10.447 629 HD2 LYS 85 1HD LYS 85 -5.820 -8.751 -11.987 630 HD3 LYS 85 2HD LYS 85 -5.118 -7.682 -10.752 631 HE2 LYS 85 1HE LYS 85 -4.892 -9.613 -9.208 632 HE3 LYS 85 2HE LYS 85 -5.574 -10.683 -10.441 633 HZ1 LYS 85 1HZ LYS 85 -3.040 -9.143 -10.728 634 HZ2 LYS 85 2HZ LYS 85 -3.670 -10.144 -11.866 635 HZ3 LYS 85 3HZ LYS 85 -3.143 -10.754 -10.449 636 HA PRO 86 HA PRO 86 -10.143 -6.000 -6.309 637 HB2 PRO 86 1HB PRO 86 -10.523 -8.235 -4.736 638 HB3 PRO 86 2HB PRO 86 -11.763 -7.489 -5.790 639 HG2 PRO 86 1HG PRO 86 -9.971 -9.850 -6.391 640 HG3 PRO 86 2HG PRO 86 -11.731 -9.684 -6.689 641 HD2 PRO 86 1HD PRO 86 -9.899 -9.291 -8.652 642 HD3 PRO 86 2HD PRO 86 -11.356 -8.245 -8.566 643 H ILE 87 H ILE 87 -8.676 -5.148 -5.035 644 HA ILE 87 HA ILE 87 -6.124 -6.557 -4.507 645 HB ILE 87 HB ILE 87 -5.240 -4.359 -3.818 646 HG12 ILE 87 1HG1 ILE 87 -7.579 -3.055 -5.234 647 HG13 ILE 87 2HG1 ILE 87 -7.594 -3.288 -3.482 648 HG21 ILE 87 1HG2 ILE 87 -6.272 -4.614 -6.678 649 HG22 ILE 87 2HG2 ILE 87 -4.943 -3.564 -6.158 650 HG23 ILE 87 3HG2 ILE 87 -4.787 -5.319 -6.008 651 HD11 ILE 87 1HD1 ILE 87 -5.515 -1.691 -5.041 652 HD12 ILE 87 2HD1 ILE 87 -6.830 -1.042 -4.049 653 HD13 ILE 87 3HD1 ILE 87 -5.521 -1.954 -3.280 654 H ARG 88 H ARG 88 -5.243 -6.782 -2.549 655 HA ARG 88 HA ARG 88 -7.019 -6.499 -0.147 656 HB2 ARG 88 1HB ARG 88 -6.530 -8.849 -0.953 657 HB3 ARG 88 2HB ARG 88 -4.816 -8.532 -0.707 658 HG2 ARG 88 1HG ARG 88 -5.542 -9.749 1.186 659 HG3 ARG 88 2HG ARG 88 -5.338 -8.090 1.750 660 HD2 ARG 88 1HD ARG 88 -7.844 -7.773 1.470 661 HD3 ARG 88 2HD ARG 88 -7.964 -9.457 0.994 662 HE ARG 88 HE ARG 88 -7.554 -10.147 3.204 663 HH11 ARG 88 1HH1 ARG 88 -7.463 -6.625 3.105 664 HH12 ARG 88 2HH1 ARG 88 -7.023 -6.514 4.782 665 HH21 ARG 88 1HH2 ARG 88 -7.075 -8.304 6.066 666 HH22 ARG 88 2HH2 ARG 88 -7.239 -9.897 5.388 667 H VAL 89 H VAL 89 -6.293 -5.247 1.472 668 HA VAL 89 HA VAL 89 -3.474 -4.262 1.355 669 HB VAL 89 HB VAL 89 -5.919 -2.561 1.922 670 HG11 VAL 89 1HG1 VAL 89 -3.831 -1.712 2.980 671 HG12 VAL 89 2HG1 VAL 89 -3.018 -1.764 1.407 672 HG13 VAL 89 3HG1 VAL 89 -4.385 -0.663 1.678 673 HG21 VAL 89 1HG2 VAL 89 -4.183 -2.807 -0.571 674 HG22 VAL 89 2HG2 VAL 89 -5.918 -3.168 -0.458 675 HG23 VAL 89 3HG2 VAL 89 -5.355 -1.505 -0.297 676 H ASN 90 H ASN 90 -2.361 -4.030 3.160 677 HA ASN 90 HA ASN 90 -3.547 -3.881 5.817 678 HB2 ASN 90 1HB ASN 90 -2.248 -5.888 6.679 679 HB3 ASN 90 2HB ASN 90 -3.631 -6.267 5.688 680 HD21 ASN 90 1HD2 ASN 90 -0.014 -6.095 5.619 681 HD22 ASN 90 2HD2 ASN 90 0.085 -7.275 4.325 682 H LYS 91 H LYS 91 -1.659 -3.824 7.504 683 HA LYS 91 HA LYS 91 0.323 -1.841 6.830 684 HB2 LYS 91 1HB LYS 91 0.436 -3.926 9.050 685 HB3 LYS 91 2HB LYS 91 1.311 -2.400 9.013 686 HG2 LYS 91 1HG LYS 91 -1.730 -2.607 9.146 687 HG3 LYS 91 2HG LYS 91 -0.713 -2.583 10.558 688 HD2 LYS 91 1HD LYS 91 -0.489 -0.306 8.558 689 HD3 LYS 91 2HD LYS 91 -1.844 -0.386 9.702 690 HE2 LYS 91 1HE LYS 91 -0.204 -0.636 11.568 691 HE3 LYS 91 2HE LYS 91 1.105 -0.321 10.401 692 HZ1 LYS 91 1HZ LYS 91 0.235 1.838 10.024 693 HZ2 LYS 91 2HZ LYS 91 0.322 1.662 11.644 694 HZ3 LYS 91 3HZ LYS 91 -1.140 1.553 10.923 695 H ALA 92 H ALA 92 2.529 -2.067 6.237 696 HA ALA 92 HA ALA 92 3.211 -4.465 4.772 697 HB1 ALA 92 1HB ALA 92 5.313 -3.296 4.307 698 HB2 ALA 92 2HB ALA 92 3.924 -2.213 4.092 699 HB3 ALA 92 3HB ALA 92 4.932 -2.095 5.555 700 H SER 93 H SER 93 3.529 -3.703 8.090 701 HA SER 93 HA SER 93 4.748 -6.344 8.532 702 HB2 SER 93 1HB SER 93 6.622 -4.739 8.843 703 HB3 SER 93 2HB SER 93 5.683 -3.917 10.111 704 HG SER 93 HG SER 93 7.186 -5.648 10.801 705 H ALA 94 H ALA 94 3.504 -7.440 9.920 706 HA ALA 94 HA ALA 94 1.522 -6.005 11.633 707 HB1 ALA 94 1HB ALA 94 0.525 -6.576 9.441 708 HB2 ALA 94 2HB ALA 94 0.962 -8.282 9.688 709 HB3 ALA 94 3HB ALA 94 -0.224 -7.496 10.754 710 H HIS 95 H HIS 95 4.073 -7.484 12.239 711 HA HIS 95 HA HIS 95 3.201 -9.966 13.542 712 HB2 HIS 95 1HB HIS 95 5.968 -8.774 13.212 713 HB3 HIS 95 2HB HIS 95 5.601 -10.370 13.869 714 HD2 HIS 95 2HD HIS 95 5.852 -8.490 10.557 715 HE1 HIS 95 1HE HIS 95 4.814 -12.506 9.559 716 HE2 HIS 95 2HE HIS 95 5.553 -10.259 8.622 717 H ASN 96 H ASN 96 2.015 -7.796 14.790 718 HA ASN 96 HA ASN 96 3.403 -7.210 17.304 719 HB2 ASN 96 1HB ASN 96 1.482 -5.868 17.841 720 HB3 ASN 96 2HB ASN 96 2.052 -5.486 16.225 721 HD21 ASN 96 1HD2 ASN 96 -0.431 -4.637 16.951 722 HD22 ASN 96 2HD2 ASN 96 -1.643 -5.588 16.106 723 H LYS 97 H LYS 97 3.440 -9.812 17.149 724 HA LYS 97 HA LYS 97 1.141 -11.305 17.996 725 HB2 LYS 97 1HB LYS 97 4.109 -11.991 17.904 726 HB3 LYS 97 2HB LYS 97 2.822 -13.173 18.178 727 HG2 LYS 97 1HG LYS 97 1.848 -12.747 15.989 728 HG3 LYS 97 2HG LYS 97 2.979 -11.422 15.682 729 HD2 LYS 97 1HD LYS 97 4.885 -13.004 15.777 730 HD3 LYS 97 2HD LYS 97 3.745 -14.349 16.013 731 HE2 LYS 97 1HE LYS 97 2.668 -13.851 13.852 732 HE3 LYS 97 2HE LYS 97 3.700 -12.432 13.635 733 HZ1 LYS 97 1HZ LYS 97 4.558 -14.303 12.391 734 HZ2 LYS 97 2HZ LYS 97 4.673 -15.236 13.729 735 HZ3 LYS 97 3HZ LYS 97 5.626 -13.915 13.554 736 H ASN 98 H ASN 98 3.330 -9.503 19.889 737 HA ASN 98 HA ASN 98 1.959 -10.433 22.344 738 HB2 ASN 98 1HB ASN 98 4.166 -11.536 22.365 739 HB3 ASN 98 2HB ASN 98 4.967 -9.988 22.073 740 HD21 ASN 98 1HD2 ASN 98 2.872 -11.706 24.448 741 HD22 ASN 98 2HD2 ASN 98 3.463 -10.779 25.819 742 H LEU 99 H LEU 99 1.322 -8.778 23.662 743 HA LEU 99 HA LEU 99 1.707 -6.015 22.626 744 HB2 LEU 99 1HB LEU 99 -0.477 -7.345 24.249 745 HB3 LEU 99 2HB LEU 99 -0.265 -5.601 24.240 746 HG LEU 99 HG LEU 99 -0.550 -5.527 21.786 747 HD11 LEU 99 1HD1 LEU 99 -1.618 -7.486 20.648 748 HD12 LEU 99 2HD1 LEU 99 -1.211 -8.492 22.057 749 HD13 LEU 99 3HD1 LEU 99 0.070 -7.763 21.056 750 HD21 LEU 99 1HD2 LEU 99 -2.808 -6.907 23.300 751 HD22 LEU 99 2HD2 LEU 99 -2.976 -5.925 21.826 752 HD23 LEU 99 3HD2 LEU 99 -2.442 -5.167 23.332 753 H SER 100 H SER 100 2.427 -4.362 23.835 754 HA SER 100 HA SER 100 3.977 -4.998 26.263 755 HB2 SER 100 1HB SER 100 4.886 -3.639 24.377 756 HB3 SER 100 2HB SER 100 3.726 -2.359 24.793 757 HG SER 100 HG SER 100 5.796 -2.072 25.793 758 H GLY 101 H GLY 101 3.849 -3.793 28.209 759 HA2 GLY 101 1HA GLY 101 1.976 -1.822 28.887 760 HA3 GLY 101 2HA GLY 101 1.213 -3.359 29.291 761 HA PRO 102 HA PRO 102 4.970 -3.521 32.231 762 HB2 PRO 102 1HB PRO 102 6.987 -1.676 32.192 763 HB3 PRO 102 2HB PRO 102 6.929 -3.076 31.077 764 HG2 PRO 102 1HG PRO 102 5.977 -0.237 30.534 765 HG3 PRO 102 2HG PRO 102 7.087 -1.237 29.539 766 HD2 PRO 102 1HD PRO 102 4.445 -1.114 28.961 767 HD3 PRO 102 2HD PRO 102 5.339 -2.663 28.849 768 H SER 103 H SER 103 3.618 -0.336 31.569 769 HA SER 103 HA SER 103 3.970 0.764 34.217 770 HB2 SER 103 1HB SER 103 2.050 1.608 32.019 771 HB3 SER 103 2HB SER 103 2.569 2.578 33.410 772 HG SER 103 HG SER 103 3.764 3.086 31.518 773 H SER 104 H SER 104 1.702 -1.552 33.060 774 HA SER 104 HA SER 104 -0.591 -0.758 34.627 775 HB2 SER 104 1HB SER 104 0.100 -3.419 33.336 776 HB3 SER 104 2HB SER 104 -1.478 -2.976 34.016 777 HG SER 104 HG SER 104 -1.384 -2.614 31.747 778 H GLY 105 H GLY 105 -1.465 -1.659 36.476 779 HA2 GLY 105 1HA GLY 105 -0.459 -3.816 38.034 780 HA3 GLY 105 2HA GLY 105 0.269 -2.326 38.640 Start of MODEL 11 1 H1 GLY 1 1H GLY 1 -10.987 -4.912 14.825 2 H2 GLY 1 2H GLY 1 -10.498 -5.474 13.367 3 H3 GLY 1 3H GLY 1 -10.460 -3.865 13.678 4 HA2 GLY 1 1HA GLY 1 -8.234 -4.771 13.776 5 HA3 GLY 1 2HA GLY 1 -8.761 -4.150 15.351 6 H SER 2 H SER 2 -6.697 -5.939 15.265 7 HA SER 2 HA SER 2 -7.580 -8.684 15.682 8 HB2 SER 2 1HB SER 2 -5.193 -9.038 16.319 9 HB3 SER 2 2HB SER 2 -5.434 -8.338 14.711 10 HG SER 2 HG SER 2 -3.777 -7.264 15.891 11 H SER 3 H SER 3 -7.268 -9.909 17.616 12 HA SER 3 HA SER 3 -8.085 -8.505 20.072 13 HB2 SER 3 1HB SER 3 -8.468 -10.799 20.923 14 HB3 SER 3 2HB SER 3 -9.367 -10.431 19.443 15 HG SER 3 HG SER 3 -8.360 -12.498 19.360 16 H GLY 4 H GLY 4 -7.134 -9.082 22.155 17 HA2 GLY 4 1HA GLY 4 -5.381 -9.369 23.644 18 HA3 GLY 4 2HA GLY 4 -4.451 -10.153 22.372 19 H SER 5 H SER 5 -2.620 -9.024 23.311 20 HA SER 5 HA SER 5 -2.406 -6.134 23.246 21 HB2 SER 5 1HB SER 5 -0.034 -6.587 23.851 22 HB3 SER 5 2HB SER 5 -1.218 -7.353 24.921 23 HG SER 5 HG SER 5 0.405 -8.826 24.388 24 H SER 6 H SER 6 -1.012 -4.856 21.973 25 HA SER 6 HA SER 6 0.090 -5.959 19.454 26 HB2 SER 6 1HB SER 6 -1.052 -4.273 18.098 27 HB3 SER 6 2HB SER 6 -2.214 -5.337 18.902 28 HG SER 6 HG SER 6 -2.819 -3.127 19.062 29 H GLY 7 H GLY 7 1.377 -4.336 18.243 30 HA2 GLY 7 1HA GLY 7 2.258 -1.869 19.338 31 HA3 GLY 7 2HA GLY 7 3.391 -3.131 19.833 32 HA PRO 8 HA PRO 8 4.308 -1.571 15.466 33 HB2 PRO 8 1HB PRO 8 6.545 -0.063 15.861 34 HB3 PRO 8 2HB PRO 8 4.894 0.574 16.135 35 HG2 PRO 8 1HG PRO 8 6.807 -0.584 18.196 36 HG3 PRO 8 2HG PRO 8 5.920 0.974 18.268 37 HD2 PRO 8 1HD PRO 8 4.978 -1.279 19.483 38 HD3 PRO 8 2HD PRO 8 3.869 -0.107 18.708 39 H ILE 9 H ILE 9 6.156 -2.076 14.080 40 HA ILE 9 HA ILE 9 7.505 -4.550 14.822 41 HB ILE 9 HB ILE 9 6.624 -4.076 12.540 42 HG12 ILE 9 1HG1 ILE 9 8.454 -5.027 11.229 43 HG13 ILE 9 2HG1 ILE 9 9.600 -4.726 12.520 44 HG21 ILE 9 1HG2 ILE 9 7.907 -2.723 10.966 45 HG22 ILE 9 2HG2 ILE 9 7.344 -1.719 12.303 46 HG23 ILE 9 3HG2 ILE 9 9.032 -2.236 12.242 47 HD11 ILE 9 1HD1 ILE 9 7.159 -6.551 12.741 48 HD12 ILE 9 2HD1 ILE 9 8.815 -7.091 12.403 49 HD13 ILE 9 3HD1 ILE 9 8.437 -6.358 13.967 50 H SER 10 H SER 10 9.763 -4.933 14.929 51 HA SER 10 HA SER 10 11.223 -2.969 16.423 52 HB2 SER 10 1HB SER 10 12.211 -5.585 15.235 53 HB3 SER 10 2HB SER 10 12.932 -4.694 16.586 54 HG SER 10 HG SER 10 11.065 -5.112 17.810 55 H GLU 11 H GLU 11 11.003 -3.218 13.024 56 HA GLU 11 HA GLU 11 13.674 -1.915 12.633 57 HB2 GLU 11 1HB GLU 11 12.444 -4.150 10.982 58 HB3 GLU 11 2HB GLU 11 13.857 -3.224 10.502 59 HG2 GLU 11 1HG GLU 11 13.639 -5.023 12.954 60 HG3 GLU 11 2HG GLU 11 14.445 -5.417 11.443 61 H ARG 12 H ARG 12 13.674 -0.133 11.534 62 HA ARG 12 HA ARG 12 13.067 1.698 10.325 63 HB2 ARG 12 1HB ARG 12 11.814 -0.338 8.444 64 HB3 ARG 12 2HB ARG 12 12.331 1.300 8.035 65 HG2 ARG 12 1HG ARG 12 14.682 0.678 8.696 66 HG3 ARG 12 2HG ARG 12 14.148 -1.001 8.855 67 HD2 ARG 12 1HD ARG 12 13.997 0.681 6.319 68 HD3 ARG 12 2HD ARG 12 15.228 -0.529 6.691 69 HE ARG 12 HE ARG 12 12.323 -1.293 6.565 70 HH11 ARG 12 1HH1 ARG 12 15.530 -1.792 5.207 71 HH12 ARG 12 2HH1 ARG 12 14.985 -3.158 4.271 72 HH21 ARG 12 1HH2 ARG 12 11.728 -2.923 5.394 73 HH22 ARG 12 2HH2 ARG 12 12.854 -3.809 4.375 74 H ASN 13 H ASN 13 10.988 2.473 8.764 75 HA ASN 13 HA ASN 13 8.862 3.020 10.728 76 HB2 ASN 13 1HB ASN 13 8.187 4.784 9.228 77 HB3 ASN 13 2HB ASN 13 9.905 4.909 9.530 78 HD21 ASN 13 1HD2 ASN 13 8.715 6.213 7.364 79 HD22 ASN 13 2HD2 ASN 13 9.283 5.450 5.877 80 H GLN 14 H GLN 14 8.934 0.272 9.594 81 HA GLN 14 HA GLN 14 7.201 0.155 7.363 82 HB2 GLN 14 1HB GLN 14 8.772 -1.708 8.875 83 HB3 GLN 14 2HB GLN 14 7.140 -2.353 8.752 84 HG2 GLN 14 1HG GLN 14 8.329 -3.174 6.868 85 HG3 GLN 14 2HG GLN 14 7.235 -1.943 6.249 86 HE21 GLN 14 1HE2 GLN 14 8.212 0.156 5.489 87 HE22 GLN 14 2HE2 GLN 14 9.942 0.208 5.201 88 H ASP 15 H ASP 15 6.185 0.623 10.618 89 HA ASP 15 HA ASP 15 3.460 -0.339 10.221 90 HB2 ASP 15 1HB ASP 15 4.775 1.562 12.189 91 HB3 ASP 15 2HB ASP 15 3.023 1.354 12.124 92 H ALA 16 H ALA 16 5.199 2.505 9.170 93 HA ALA 16 HA ALA 16 2.734 3.881 8.283 94 HB1 ALA 16 1HB ALA 16 5.654 4.710 8.029 95 HB2 ALA 16 2HB ALA 16 4.216 5.699 7.698 96 HB3 ALA 16 3HB ALA 16 4.567 5.179 9.354 97 H THR 17 H THR 17 4.527 1.304 7.157 98 HA THR 17 HA THR 17 4.021 1.961 4.294 99 HB THR 17 HB THR 17 5.460 -0.510 5.225 100 HG1 THR 17 1HG THR 17 6.542 2.057 4.809 101 HG21 THR 17 1HG2 THR 17 4.790 -0.416 2.838 102 HG22 THR 17 2HG2 THR 17 6.550 -0.342 3.004 103 HG23 THR 17 3HG2 THR 17 5.639 1.132 2.652 104 H VAL 18 H VAL 18 2.433 0.974 3.199 105 HA VAL 18 HA VAL 18 0.933 -1.257 4.513 106 HB VAL 18 HB VAL 18 -0.997 -0.734 3.244 107 HG11 VAL 18 1HG1 VAL 18 -0.601 0.550 5.351 108 HG12 VAL 18 2HG1 VAL 18 0.084 1.875 4.390 109 HG13 VAL 18 3HG1 VAL 18 -1.613 1.423 4.181 110 HG21 VAL 18 1HG2 VAL 18 0.514 1.580 2.000 111 HG22 VAL 18 2HG2 VAL 18 -0.010 0.116 1.133 112 HG23 VAL 18 3HG2 VAL 18 -1.211 1.229 1.792 113 H TYR 19 H TYR 19 0.431 -3.060 3.347 114 HA TYR 19 HA TYR 19 2.023 -3.661 0.888 115 HB2 TYR 19 1HB TYR 19 2.400 -5.291 2.583 116 HB3 TYR 19 2HB TYR 19 0.706 -5.338 3.042 117 HD1 TYR 19 1HD TYR 19 -0.913 -6.696 1.870 118 HD2 TYR 19 2HD TYR 19 3.154 -6.415 0.453 119 HE1 TYR 19 1HE TYR 19 -1.294 -8.650 0.370 120 HE2 TYR 19 2HE TYR 19 2.782 -8.393 -1.005 121 HH TYR 19 HH TYR 19 1.299 -9.997 -1.703 122 H VAL 20 H VAL 20 0.975 -4.215 -0.979 123 HA VAL 20 HA VAL 20 -2.007 -4.278 -1.047 124 HB VAL 20 HB VAL 20 -0.304 -2.940 -3.183 125 HG11 VAL 20 1HG1 VAL 20 -2.451 -3.932 -3.946 126 HG12 VAL 20 2HG1 VAL 20 -3.315 -3.045 -2.683 127 HG13 VAL 20 3HG1 VAL 20 -2.510 -2.161 -3.995 128 HG21 VAL 20 1HG2 VAL 20 -1.973 -1.603 -1.016 129 HG22 VAL 20 2HG2 VAL 20 -0.209 -1.503 -1.202 130 HG23 VAL 20 3HG2 VAL 20 -1.255 -0.799 -2.432 131 H GLY 21 H GLY 21 -2.508 -6.307 -1.617 132 HA2 GLY 21 1HA GLY 21 -0.769 -7.809 -3.559 133 HA3 GLY 21 2HA GLY 21 -1.773 -8.544 -2.320 134 H GLY 22 H GLY 22 -1.653 -8.723 -5.361 135 HA2 GLY 22 1HA GLY 22 -3.396 -9.741 -6.631 136 HA3 GLY 22 2HA GLY 22 -4.618 -8.841 -5.730 137 H LEU 23 H LEU 23 -1.680 -7.561 -7.316 138 HA LEU 23 HA LEU 23 -3.165 -5.328 -8.447 139 HB2 LEU 23 1HB LEU 23 -0.249 -6.186 -8.682 140 HB3 LEU 23 2HB LEU 23 -0.902 -4.655 -9.256 141 HG LEU 23 HG LEU 23 -0.731 -5.564 -6.349 142 HD11 LEU 23 1HD1 LEU 23 0.714 -3.368 -7.879 143 HD12 LEU 23 2HD1 LEU 23 1.407 -4.933 -7.416 144 HD13 LEU 23 3HD1 LEU 23 0.913 -3.774 -6.163 145 HD21 LEU 23 1HD2 LEU 23 -1.934 -3.072 -7.606 146 HD22 LEU 23 2HD2 LEU 23 -1.352 -3.111 -5.933 147 HD23 LEU 23 3HD2 LEU 23 -2.660 -4.190 -6.440 148 H ASP 24 H ASP 24 -3.227 -4.752 -10.641 149 HA ASP 24 HA ASP 24 -3.284 -7.035 -12.509 150 HB2 ASP 24 1HB ASP 24 -5.287 -5.600 -12.337 151 HB3 ASP 24 2HB ASP 24 -4.326 -4.184 -12.763 152 H GLU 25 H GLU 25 -2.316 -6.788 -14.706 153 HA GLU 25 HA GLU 25 0.411 -6.001 -14.619 154 HB2 GLU 25 1HB GLU 25 0.480 -6.553 -16.957 155 HB3 GLU 25 2HB GLU 25 -0.481 -7.745 -16.086 156 HG2 GLU 25 1HG GLU 25 -2.569 -6.629 -16.898 157 HG3 GLU 25 2HG GLU 25 -1.590 -5.460 -17.781 158 H LYS 26 H LYS 26 -2.386 -4.008 -15.362 159 HA LYS 26 HA LYS 26 -0.901 -1.861 -16.665 160 HB2 LYS 26 1HB LYS 26 -3.674 -2.082 -15.494 161 HB3 LYS 26 2HB LYS 26 -3.037 -0.602 -16.228 162 HG2 LYS 26 1HG LYS 26 -2.655 -1.717 -18.356 163 HG3 LYS 26 2HG LYS 26 -3.089 -3.288 -17.675 164 HD2 LYS 26 1HD LYS 26 -4.905 -2.413 -18.994 165 HD3 LYS 26 2HD LYS 26 -5.371 -2.557 -17.287 166 HE2 LYS 26 1HE LYS 26 -5.068 -0.150 -16.956 167 HE3 LYS 26 2HE LYS 26 -4.454 0.036 -18.605 168 HZ1 LYS 26 1HZ LYS 26 -7.211 -0.837 -17.915 169 HZ2 LYS 26 2HZ LYS 26 -6.639 -0.641 -19.432 170 HZ3 LYS 26 3HZ LYS 26 -6.804 0.651 -18.452 171 H VAL 27 H VAL 27 -1.047 -2.803 -13.370 172 HA VAL 27 HA VAL 27 -0.958 -0.147 -12.178 173 HB VAL 27 HB VAL 27 -0.311 -2.868 -10.985 174 HG11 VAL 27 1HG1 VAL 27 0.760 -1.137 -9.628 175 HG12 VAL 27 2HG1 VAL 27 -0.733 -0.186 -9.603 176 HG13 VAL 27 3HG1 VAL 27 -0.656 -1.760 -8.810 177 HG21 VAL 27 1HG2 VAL 27 -2.818 -1.124 -10.844 178 HG22 VAL 27 2HG2 VAL 27 -2.674 -2.680 -11.683 179 HG23 VAL 27 3HG2 VAL 27 -2.558 -2.618 -9.923 180 H SER 28 H SER 28 0.739 1.055 -11.474 181 HA SER 28 HA SER 28 3.517 0.007 -11.693 182 HB2 SER 28 1HB SER 28 4.257 2.045 -12.761 183 HB3 SER 28 2HB SER 28 2.970 1.323 -13.737 184 HG SER 28 HG SER 28 2.589 3.540 -13.502 185 H GLU 29 H GLU 29 5.105 1.338 -10.423 186 HA GLU 29 HA GLU 29 4.144 1.902 -7.807 187 HB2 GLU 29 1HB GLU 29 6.728 2.437 -9.289 188 HB3 GLU 29 2HB GLU 29 6.494 3.184 -7.723 189 HG2 GLU 29 1HG GLU 29 6.680 1.244 -6.564 190 HG3 GLU 29 2HG GLU 29 5.802 0.317 -7.757 191 HA PRO 30 HA PRO 30 4.092 6.634 -8.966 192 HB2 PRO 30 1HB PRO 30 3.359 6.274 -11.879 193 HB3 PRO 30 2HB PRO 30 4.165 7.664 -11.083 194 HG2 PRO 30 1HG PRO 30 5.648 5.873 -12.450 195 HG3 PRO 30 2HG PRO 30 6.206 6.418 -10.832 196 HD2 PRO 30 1HD PRO 30 4.730 3.876 -11.553 197 HD3 PRO 30 2HD PRO 30 6.163 4.094 -10.510 198 H LEU 31 H LEU 31 1.972 4.119 -10.418 199 HA LEU 31 HA LEU 31 -0.471 5.667 -10.082 200 HB2 LEU 31 1HB LEU 31 -0.276 3.734 -11.672 201 HB3 LEU 31 2HB LEU 31 -0.076 2.655 -10.295 202 HG LEU 31 HG LEU 31 -2.371 3.417 -9.442 203 HD11 LEU 31 1HD1 LEU 31 -3.871 4.361 -11.168 204 HD12 LEU 31 2HD1 LEU 31 -2.477 4.561 -12.260 205 HD13 LEU 31 3HD1 LEU 31 -2.576 5.489 -10.741 206 HD21 LEU 31 1HD2 LEU 31 -2.076 1.279 -10.485 207 HD22 LEU 31 2HD2 LEU 31 -2.041 2.006 -12.111 208 HD23 LEU 31 3HD2 LEU 31 -3.542 2.001 -11.157 209 H LEU 32 H LEU 32 1.111 3.017 -8.228 210 HA LEU 32 HA LEU 32 -0.751 3.069 -6.058 211 HB2 LEU 32 1HB LEU 32 2.214 2.323 -5.960 212 HB3 LEU 32 2HB LEU 32 0.984 1.927 -4.760 213 HG LEU 32 HG LEU 32 1.256 0.820 -7.546 214 HD11 LEU 32 1HD1 LEU 32 1.130 -0.465 -4.784 215 HD12 LEU 32 2HD1 LEU 32 2.621 -0.148 -5.706 216 HD13 LEU 32 3HD1 LEU 32 1.418 -1.296 -6.333 217 HD21 LEU 32 1HD2 LEU 32 -1.119 1.124 -7.259 218 HD22 LEU 32 2HD2 LEU 32 -1.046 0.564 -5.565 219 HD23 LEU 32 3HD2 LEU 32 -0.779 -0.579 -6.891 220 H TRP 33 H TRP 33 1.936 5.187 -6.732 221 HA TRP 33 HA TRP 33 1.887 6.481 -4.134 222 HB2 TRP 33 1HB TRP 33 3.746 6.483 -5.872 223 HB3 TRP 33 2HB TRP 33 2.832 7.668 -6.774 224 HD1 TRP 33 HD TRP 33 2.019 9.638 -4.368 225 HE1 TRP 33 1HE TRP 33 3.842 11.014 -3.176 226 HE3 TRP 33 3HE TRP 33 6.064 6.854 -5.672 227 HZ2 TRP 33 2HZ TRP 33 6.722 10.933 -2.879 228 HZ3 TRP 33 3HZ TRP 33 8.371 7.524 -4.951 229 HH2 TRP 33 HH TRP 33 8.697 9.560 -3.561 230 H GLU 34 H GLU 34 0.815 7.770 -7.300 231 HA GLU 34 HA GLU 34 -0.585 9.957 -6.148 232 HB2 GLU 34 1HB GLU 34 -0.858 8.684 -8.906 233 HB3 GLU 34 2HB GLU 34 -1.579 10.228 -8.428 234 HG2 GLU 34 1HG GLU 34 0.723 11.012 -7.761 235 HG3 GLU 34 2HG GLU 34 1.396 9.578 -8.524 236 H LEU 35 H LEU 35 -1.837 6.746 -6.904 237 HA LEU 35 HA LEU 35 -4.629 7.416 -6.561 238 HB2 LEU 35 1HB LEU 35 -3.516 5.306 -7.663 239 HB3 LEU 35 2HB LEU 35 -3.383 4.713 -6.006 240 HG LEU 35 HG LEU 35 -5.937 5.146 -5.873 241 HD11 LEU 35 1HD1 LEU 35 -6.166 6.449 -7.956 242 HD12 LEU 35 2HD1 LEU 35 -7.136 4.970 -8.006 243 HD13 LEU 35 3HD1 LEU 35 -5.599 5.048 -8.894 244 HD21 LEU 35 1HD2 LEU 35 -4.923 2.925 -5.876 245 HD22 LEU 35 2HD2 LEU 35 -4.820 2.954 -7.654 246 HD23 LEU 35 3HD2 LEU 35 -6.406 2.938 -6.838 247 H PHE 36 H PHE 36 -2.045 6.582 -4.279 248 HA PHE 36 HA PHE 36 -3.926 6.144 -2.043 249 HB2 PHE 36 1HB PHE 36 -0.990 5.698 -2.505 250 HB3 PHE 36 2HB PHE 36 -1.604 5.735 -0.902 251 HD1 PHE 36 1HD PHE 36 -2.329 3.746 0.112 252 HD2 PHE 36 2HD PHE 36 -2.345 4.008 -4.179 253 HE1 PHE 36 1HE PHE 36 -3.063 1.382 -0.028 254 HE2 PHE 36 2HE PHE 36 -3.053 1.635 -4.325 255 HZ PHE 36 HZ PHE 36 -3.453 0.329 -2.246 256 H LEU 37 H LEU 37 -2.160 8.811 -3.320 257 HA LEU 37 HA LEU 37 -1.798 10.440 -1.049 258 HB2 LEU 37 1HB LEU 37 -2.661 11.073 -3.892 259 HB3 LEU 37 2HB LEU 37 -2.325 12.324 -2.703 260 HG LEU 37 HG LEU 37 -0.296 10.310 -3.706 261 HD11 LEU 37 1HD1 LEU 37 -0.958 12.079 -5.341 262 HD12 LEU 37 2HD1 LEU 37 0.725 12.232 -4.803 263 HD13 LEU 37 3HD1 LEU 37 -0.525 13.312 -4.143 264 HD21 LEU 37 1HD2 LEU 37 0.207 10.925 -1.407 265 HD22 LEU 37 2HD2 LEU 37 -0.023 12.646 -1.774 266 HD23 LEU 37 3HD2 LEU 37 1.340 11.746 -2.490 267 H GLN 38 H GLN 38 -4.772 9.329 -2.326 268 HA GLN 38 HA GLN 38 -6.601 11.276 -1.260 269 HB2 GLN 38 1HB GLN 38 -7.050 8.287 -1.685 270 HB3 GLN 38 2HB GLN 38 -8.293 9.540 -1.547 271 HG2 GLN 38 1HG GLN 38 -7.371 10.616 -3.632 272 HG3 GLN 38 2HG GLN 38 -6.221 9.268 -3.740 273 HE21 GLN 38 1HE2 GLN 38 -6.960 7.209 -4.422 274 HE22 GLN 38 2HE2 GLN 38 -8.592 6.981 -5.076 275 H ALA 39 H ALA 39 -4.960 8.486 0.196 276 HA ALA 39 HA ALA 39 -6.538 8.567 2.671 277 HB1 ALA 39 1HB ALA 39 -4.905 6.858 3.410 278 HB2 ALA 39 2HB ALA 39 -5.590 6.455 1.819 279 HB3 ALA 39 3HB ALA 39 -3.957 7.125 1.938 280 H GLY 40 H GLY 40 -3.215 9.488 1.708 281 HA2 GLY 40 1HA GLY 40 -3.090 11.843 3.302 282 HA3 GLY 40 2HA GLY 40 -2.317 10.517 4.177 283 HA PRO 41 HA PRO 41 0.706 12.559 1.205 284 HB2 PRO 41 1HB PRO 41 2.713 13.103 3.014 285 HB3 PRO 41 2HB PRO 41 1.333 14.192 2.682 286 HG2 PRO 41 1HG PRO 41 1.594 12.159 4.916 287 HG3 PRO 41 2HG PRO 41 1.110 13.878 5.046 288 HD2 PRO 41 1HD PRO 41 -0.710 11.867 4.958 289 HD3 PRO 41 2HD PRO 41 -1.039 13.388 4.081 290 H VAL 42 H VAL 42 1.487 10.994 0.013 291 HA VAL 42 HA VAL 42 2.829 8.605 1.116 292 HB VAL 42 HB VAL 42 2.169 9.359 -1.744 293 HG11 VAL 42 1HG1 VAL 42 4.127 7.883 -1.736 294 HG12 VAL 42 2HG1 VAL 42 3.338 6.794 -0.572 295 HG13 VAL 42 3HG1 VAL 42 2.713 6.959 -2.219 296 HG21 VAL 42 1HG2 VAL 42 0.492 7.576 -1.605 297 HG22 VAL 42 2HG2 VAL 42 0.908 7.291 0.099 298 HG23 VAL 42 3HG2 VAL 42 0.152 8.818 -0.403 299 H VAL 43 H VAL 43 4.898 8.255 1.089 300 HA VAL 43 HA VAL 43 6.775 10.471 0.401 301 HB VAL 43 HB VAL 43 7.218 8.137 2.303 302 HG11 VAL 43 1HG1 VAL 43 8.803 9.700 3.402 303 HG12 VAL 43 2HG1 VAL 43 9.263 9.376 1.722 304 HG13 VAL 43 3HG1 VAL 43 8.469 10.915 2.156 305 HG21 VAL 43 1HG2 VAL 43 5.236 9.311 3.113 306 HG22 VAL 43 2HG2 VAL 43 6.616 9.621 4.156 307 HG23 VAL 43 3HG2 VAL 43 6.078 10.874 3.007 308 H ASN 44 H ASN 44 6.209 7.012 -0.053 309 HA ASN 44 HA ASN 44 8.138 6.759 -2.223 310 HB2 ASN 44 1HB ASN 44 9.687 6.652 -0.371 311 HB3 ASN 44 2HB ASN 44 8.640 5.602 0.548 312 HD21 ASN 44 1HD2 ASN 44 9.704 3.707 0.783 313 HD22 ASN 44 2HD2 ASN 44 10.465 2.835 -0.558 314 H THR 45 H THR 45 8.100 4.530 -3.129 315 HA THR 45 HA THR 45 5.842 2.755 -2.413 316 HB THR 45 HB THR 45 5.432 2.496 -4.971 317 HG1 THR 45 1HG THR 45 7.127 3.956 -5.560 318 HG21 THR 45 1HG2 THR 45 3.755 3.362 -3.376 319 HG22 THR 45 2HG2 THR 45 3.648 4.041 -4.995 320 HG23 THR 45 3HG2 THR 45 4.357 5.013 -3.676 321 H HIS 46 H HIS 46 6.086 0.586 -3.199 322 HA HIS 46 HA HIS 46 8.648 -0.083 -4.566 323 HB2 HIS 46 1HB HIS 46 8.901 -0.182 -1.986 324 HB3 HIS 46 2HB HIS 46 7.733 -1.474 -2.025 325 HD2 HIS 46 2HD HIS 46 9.754 -2.979 -0.932 326 HE1 HIS 46 1HE HIS 46 11.842 -3.568 -4.605 327 HE2 HIS 46 2HE HIS 46 11.627 -4.344 -2.187 328 H MET 47 H MET 47 8.275 -1.533 -6.173 329 HA MET 47 HA MET 47 6.245 -3.695 -5.727 330 HB2 MET 47 1HB MET 47 6.494 -1.989 -8.219 331 HB3 MET 47 2HB MET 47 5.742 -3.587 -8.198 332 HG2 MET 47 1HG MET 47 4.069 -2.900 -6.634 333 HG3 MET 47 2HG MET 47 4.854 -1.345 -6.356 334 HE1 MET 47 1HE MET 47 4.193 -3.017 -9.961 335 HE2 MET 47 2HE MET 47 2.984 -3.613 -8.796 336 HE3 MET 47 3HE MET 47 2.496 -2.536 -10.132 337 HA PRO 48 HA PRO 48 10.301 -5.541 -6.565 338 HB2 PRO 48 1HB PRO 48 8.759 -7.976 -5.658 339 HB3 PRO 48 2HB PRO 48 10.443 -7.497 -5.270 340 HG2 PRO 48 1HG PRO 48 8.490 -7.040 -3.472 341 HG3 PRO 48 2HG PRO 48 9.672 -5.743 -3.821 342 HD2 PRO 48 1HD PRO 48 6.868 -6.064 -4.936 343 HD3 PRO 48 2HD PRO 48 7.652 -4.603 -4.255 344 H LYS 49 H LYS 49 11.019 -6.180 -8.492 345 HA LYS 49 HA LYS 49 9.106 -7.120 -10.545 346 HB2 LYS 49 1HB LYS 49 11.992 -6.252 -10.917 347 HB3 LYS 49 2HB LYS 49 10.777 -6.473 -12.168 348 HG2 LYS 49 1HG LYS 49 10.860 -4.295 -10.054 349 HG3 LYS 49 2HG LYS 49 11.153 -4.124 -11.785 350 HD2 LYS 49 1HD LYS 49 8.767 -4.811 -12.216 351 HD3 LYS 49 2HD LYS 49 8.483 -4.803 -10.472 352 HE2 LYS 49 1HE LYS 49 9.264 -2.430 -12.225 353 HE3 LYS 49 2HE LYS 49 7.700 -2.722 -11.458 354 HZ1 LYS 49 1HZ LYS 49 10.237 -2.020 -10.107 355 HZ2 LYS 49 2HZ LYS 49 8.966 -2.634 -9.283 356 HZ3 LYS 49 3HZ LYS 49 8.817 -1.202 -10.054 357 H ASP 50 H ASP 50 9.411 -8.799 -11.923 358 HA ASP 50 HA ASP 50 10.759 -11.205 -11.028 359 HB2 ASP 50 1HB ASP 50 8.697 -11.236 -12.384 360 HB3 ASP 50 2HB ASP 50 9.520 -10.377 -13.681 361 H ARG 51 H ARG 51 12.744 -12.033 -11.640 362 HA ARG 51 HA ARG 51 14.667 -10.105 -12.655 363 HB2 ARG 51 1HB ARG 51 16.358 -11.593 -11.882 364 HB3 ARG 51 2HB ARG 51 15.086 -11.483 -10.669 365 HG2 ARG 51 1HG ARG 51 14.177 -13.690 -11.446 366 HG3 ARG 51 2HG ARG 51 15.496 -13.788 -12.634 367 HD2 ARG 51 1HD ARG 51 17.156 -13.689 -10.803 368 HD3 ARG 51 2HD ARG 51 15.837 -13.616 -9.615 369 HE ARG 51 HE ARG 51 15.413 -15.907 -11.231 370 HH11 ARG 51 1HH1 ARG 51 17.758 -14.870 -8.844 371 HH12 ARG 51 2HH1 ARG 51 18.137 -16.505 -8.372 372 HH21 ARG 51 1HH2 ARG 51 15.942 -17.966 -10.582 373 HH22 ARG 51 2HH2 ARG 51 17.130 -18.207 -9.335 374 H VAL 52 H VAL 52 12.739 -11.764 -14.587 375 HA VAL 52 HA VAL 52 14.840 -12.239 -16.681 376 HB VAL 52 HB VAL 52 12.402 -14.003 -16.205 377 HG11 VAL 52 1HG1 VAL 52 14.778 -14.291 -18.094 378 HG12 VAL 52 2HG1 VAL 52 13.510 -15.509 -17.836 379 HG13 VAL 52 3HG1 VAL 52 13.095 -13.959 -18.564 380 HG21 VAL 52 1HG2 VAL 52 13.980 -14.450 -14.407 381 HG22 VAL 52 2HG2 VAL 52 14.056 -15.768 -15.572 382 HG23 VAL 52 3HG2 VAL 52 15.335 -14.531 -15.560 383 H THR 53 H THR 53 11.467 -11.439 -15.920 384 HA THR 53 HA THR 53 11.029 -10.414 -18.683 385 HB THR 53 HB THR 53 8.617 -10.500 -18.111 386 HG1 THR 53 1HG THR 53 9.532 -11.838 -15.785 387 HG21 THR 53 1HG2 THR 53 10.025 -13.171 -17.660 388 HG22 THR 53 2HG2 THR 53 9.675 -12.440 -19.242 389 HG23 THR 53 3HG2 THR 53 8.343 -12.923 -18.177 390 H GLY 54 H GLY 54 11.496 -9.378 -15.430 391 HA2 GLY 54 1HA GLY 54 11.871 -7.311 -14.617 392 HA3 GLY 54 2HA GLY 54 11.710 -6.694 -16.261 393 H GLN 55 H GLN 55 8.882 -8.304 -15.292 394 HA GLN 55 HA GLN 55 7.435 -5.760 -14.739 395 HB2 GLN 55 1HB GLN 55 5.397 -7.084 -15.254 396 HB3 GLN 55 2HB GLN 55 6.521 -6.905 -16.598 397 HG2 GLN 55 1HG GLN 55 7.317 -9.179 -16.342 398 HG3 GLN 55 2HG GLN 55 6.381 -9.412 -14.863 399 HE21 GLN 55 1HE2 GLN 55 6.059 -8.787 -18.410 400 HE22 GLN 55 2HE2 GLN 55 4.473 -9.536 -18.523 401 H HIS 56 H HIS 56 5.614 -5.900 -13.112 402 HA HIS 56 HA HIS 56 6.748 -6.763 -10.592 403 HB2 HIS 56 1HB HIS 56 4.968 -5.695 -9.538 404 HB3 HIS 56 2HB HIS 56 5.353 -4.703 -10.935 405 HD2 HIS 56 2HD HIS 56 3.303 -4.088 -12.479 406 HE1 HIS 56 1HE HIS 56 0.420 -6.783 -10.874 407 HE2 HIS 56 2HE HIS 56 0.762 -4.820 -12.429 408 H GLN 57 H GLN 57 5.738 -8.087 -9.001 409 HA GLN 57 HA GLN 57 4.926 -10.662 -10.213 410 HB2 GLN 57 1HB GLN 57 6.239 -9.931 -7.585 411 HB3 GLN 57 2HB GLN 57 5.815 -11.586 -8.052 412 HG2 GLN 57 1HG GLN 57 7.289 -11.528 -9.975 413 HG3 GLN 57 2HG GLN 57 7.639 -9.814 -9.741 414 HE21 GLN 57 1HE2 GLN 57 8.690 -9.183 -7.659 415 HE22 GLN 57 2HE2 GLN 57 9.867 -10.320 -6.986 416 H GLY 58 H GLY 58 2.915 -8.504 -9.636 417 HA2 GLY 58 1HA GLY 58 0.631 -8.731 -9.282 418 HA3 GLY 58 2HA GLY 58 0.880 -10.250 -8.428 419 H TYR 59 H TYR 59 2.943 -7.932 -7.063 420 HA TYR 59 HA TYR 59 0.949 -6.781 -5.227 421 HB2 TYR 59 1HB TYR 59 1.977 -7.594 -3.238 422 HB3 TYR 59 2HB TYR 59 1.542 -8.965 -4.234 423 HD1 TYR 59 1HD TYR 59 4.288 -7.109 -2.659 424 HD2 TYR 59 2HD TYR 59 3.318 -10.281 -5.423 425 HE1 TYR 59 1HE TYR 59 6.615 -7.984 -2.491 426 HE2 TYR 59 2HE TYR 59 5.653 -11.119 -5.287 427 HH TYR 59 HH TYR 59 7.727 -10.842 -4.340 428 H GLY 60 H GLY 60 1.795 -5.183 -3.791 429 HA2 GLY 60 1HA GLY 60 4.419 -3.949 -4.340 430 HA3 GLY 60 2HA GLY 60 2.984 -3.025 -4.792 431 H PHE 61 H PHE 61 4.356 -1.696 -3.177 432 HA PHE 61 HA PHE 61 2.908 -1.715 -0.599 433 HB2 PHE 61 1HB PHE 61 5.907 -1.301 -0.862 434 HB3 PHE 61 2HB PHE 61 4.982 -1.186 0.608 435 HD1 PHE 61 1HD PHE 61 6.381 -3.534 -1.899 436 HD2 PHE 61 2HD PHE 61 4.375 -3.138 1.895 437 HE1 PHE 61 1HE PHE 61 6.941 -5.890 -1.358 438 HE2 PHE 61 2HE PHE 61 4.954 -5.496 2.444 439 HZ PHE 61 HZ PHE 61 6.228 -6.876 0.813 440 H VAL 62 H VAL 62 2.786 0.312 0.421 441 HA VAL 62 HA VAL 62 3.766 2.714 -1.062 442 HB VAL 62 HB VAL 62 0.975 2.585 0.135 443 HG11 VAL 62 1HG1 VAL 62 1.960 4.830 0.053 444 HG12 VAL 62 2HG1 VAL 62 2.351 4.603 -1.672 445 HG13 VAL 62 3HG1 VAL 62 0.666 4.670 -1.128 446 HG21 VAL 62 1HG2 VAL 62 0.160 2.629 -2.224 447 HG22 VAL 62 2HG2 VAL 62 1.819 2.284 -2.755 448 HG23 VAL 62 3HG2 VAL 62 0.918 1.102 -1.780 449 H GLU 63 H GLU 63 4.716 4.189 0.229 450 HA GLU 63 HA GLU 63 4.689 3.707 3.181 451 HB2 GLU 63 1HB GLU 63 6.810 3.393 1.892 452 HB3 GLU 63 2HB GLU 63 6.733 5.111 1.456 453 HG2 GLU 63 1HG GLU 63 6.839 5.739 3.835 454 HG3 GLU 63 2HG GLU 63 6.906 4.032 4.294 455 H PHE 64 H PHE 64 3.614 5.118 4.369 456 HA PHE 64 HA PHE 64 2.978 7.830 3.339 457 HB2 PHE 64 1HB PHE 64 1.841 6.113 5.569 458 HB3 PHE 64 2HB PHE 64 1.434 7.804 5.346 459 HD1 PHE 64 1HD PHE 64 0.210 8.617 3.408 460 HD2 PHE 64 2HD PHE 64 1.019 4.417 3.930 461 HE1 PHE 64 1HE PHE 64 -1.535 8.067 1.721 462 HE2 PHE 64 2HE PHE 64 -0.727 3.874 2.241 463 HZ PHE 64 HZ PHE 64 -2.033 5.724 1.175 464 H LEU 65 H LEU 65 3.086 9.645 4.769 465 HA LEU 65 HA LEU 65 5.576 9.968 6.097 466 HB2 LEU 65 1HB LEU 65 3.990 11.728 5.065 467 HB3 LEU 65 2HB LEU 65 3.056 11.591 6.563 468 HG LEU 65 HG LEU 65 5.233 12.183 7.802 469 HD11 LEU 65 1HD1 LEU 65 6.832 11.789 5.949 470 HD12 LEU 65 2HD1 LEU 65 6.893 13.473 6.484 471 HD13 LEU 65 3HD1 LEU 65 6.032 13.053 4.987 472 HD21 LEU 65 1HD2 LEU 65 4.010 14.233 5.899 473 HD22 LEU 65 2HD2 LEU 65 4.934 14.602 7.373 474 HD23 LEU 65 3HD2 LEU 65 3.373 13.777 7.495 475 H SER 66 H SER 66 2.399 9.064 7.372 476 HA SER 66 HA SER 66 3.591 8.417 10.040 477 HB2 SER 66 1HB SER 66 0.987 9.939 9.668 478 HB3 SER 66 2HB SER 66 1.750 9.488 11.191 479 HG SER 66 HG SER 66 2.139 11.682 10.629 480 H GLU 67 H GLU 67 2.557 6.976 11.259 481 HA GLU 67 HA GLU 67 1.484 4.660 10.056 482 HB2 GLU 67 1HB GLU 67 1.326 5.767 12.888 483 HB3 GLU 67 2HB GLU 67 0.926 4.111 12.428 484 HG2 GLU 67 1HG GLU 67 3.215 3.691 11.696 485 HG3 GLU 67 2HG GLU 67 3.667 5.363 12.001 486 H GLU 68 H GLU 68 -0.193 7.473 11.424 487 HA GLU 68 HA GLU 68 -2.852 6.390 11.459 488 HB2 GLU 68 1HB GLU 68 -1.867 9.264 11.179 489 HB3 GLU 68 2HB GLU 68 -3.511 8.800 11.606 490 HG2 GLU 68 1HG GLU 68 -1.057 8.113 13.296 491 HG3 GLU 68 2HG GLU 68 -2.025 9.552 13.509 492 H ASP 69 H ASP 69 -0.966 7.961 8.912 493 HA ASP 69 HA ASP 69 -3.213 8.247 7.048 494 HB2 ASP 69 1HB ASP 69 -0.199 8.503 6.751 495 HB3 ASP 69 2HB ASP 69 -1.337 8.833 5.462 496 H ALA 70 H ALA 70 -0.735 5.829 7.779 497 HA ALA 70 HA ALA 70 -1.247 4.170 5.444 498 HB1 ALA 70 1HB ALA 70 0.901 4.114 6.636 499 HB2 ALA 70 2HB ALA 70 0.100 3.586 8.129 500 HB3 ALA 70 3HB ALA 70 0.127 2.521 6.718 501 H ASP 71 H ASP 71 -2.295 4.052 8.902 502 HA ASP 71 HA ASP 71 -4.040 1.839 8.739 503 HB2 ASP 71 1HB ASP 71 -3.317 2.958 10.811 504 HB3 ASP 71 2HB ASP 71 -4.286 4.374 10.399 505 H TYR 72 H TYR 72 -4.653 5.231 7.808 506 HA TYR 72 HA TYR 72 -7.461 4.826 7.224 507 HB2 TYR 72 1HB TYR 72 -6.301 7.023 7.750 508 HB3 TYR 72 2HB TYR 72 -5.654 6.996 6.115 509 HD1 TYR 72 1HD TYR 72 -8.567 7.633 8.221 510 HD2 TYR 72 2HD TYR 72 -7.287 7.042 4.147 511 HE1 TYR 72 1HE TYR 72 -10.688 8.657 7.399 512 HE2 TYR 72 2HE TYR 72 -9.388 8.091 3.328 513 HH TYR 72 HH TYR 72 -11.389 9.053 3.907 514 H ALA 73 H ALA 73 -4.473 4.587 5.205 515 HA ALA 73 HA ALA 73 -5.896 4.245 2.710 516 HB1 ALA 73 1HB ALA 73 -3.731 3.494 1.883 517 HB2 ALA 73 2HB ALA 73 -3.525 4.935 2.898 518 HB3 ALA 73 3HB ALA 73 -3.105 3.335 3.539 519 H ILE 74 H ILE 74 -4.779 1.956 5.215 520 HA ILE 74 HA ILE 74 -5.632 -0.452 3.891 521 HB ILE 74 HB ILE 74 -5.402 0.165 6.866 522 HG12 ILE 74 1HG1 ILE 74 -3.377 -1.286 5.111 523 HG13 ILE 74 2HG1 ILE 74 -3.308 0.451 5.361 524 HG21 ILE 74 1HG2 ILE 74 -6.736 -1.868 6.536 525 HG22 ILE 74 2HG2 ILE 74 -5.567 -2.480 5.354 526 HG23 ILE 74 3HG2 ILE 74 -5.134 -2.356 7.067 527 HD11 ILE 74 1HD1 ILE 74 -3.022 0.175 7.756 528 HD12 ILE 74 2HD1 ILE 74 -3.128 -1.594 7.594 529 HD13 ILE 74 3HD1 ILE 74 -1.791 -0.709 6.848 530 H LYS 75 H LYS 75 -7.409 1.941 5.835 531 HA LYS 75 HA LYS 75 -9.869 0.439 6.005 532 HB2 LYS 75 1HB LYS 75 -9.297 2.238 7.559 533 HB3 LYS 75 2HB LYS 75 -9.351 3.431 6.260 534 HG2 LYS 75 1HG LYS 75 -11.731 3.052 5.912 535 HG3 LYS 75 2HG LYS 75 -11.721 1.744 7.111 536 HD2 LYS 75 1HD LYS 75 -11.074 3.379 8.872 537 HD3 LYS 75 2HD LYS 75 -11.059 4.679 7.659 538 HE2 LYS 75 1HE LYS 75 -13.465 4.268 7.194 539 HE3 LYS 75 2HE LYS 75 -13.482 2.972 8.396 540 HZ1 LYS 75 1HZ LYS 75 -12.916 5.831 8.984 541 HZ2 LYS 75 2HZ LYS 75 -12.929 4.632 10.096 542 HZ3 LYS 75 3HZ LYS 75 -14.306 5.054 9.331 543 H ILE 76 H ILE 76 -8.766 2.919 3.612 544 HA ILE 76 HA ILE 76 -11.321 2.611 2.198 545 HB ILE 76 HB ILE 76 -10.519 4.369 0.721 546 HG12 ILE 76 1HG1 ILE 76 -8.174 4.864 2.571 547 HG13 ILE 76 2HG1 ILE 76 -7.987 3.884 1.136 548 HG21 ILE 76 1HG2 ILE 76 -10.287 5.072 3.684 549 HG22 ILE 76 2HG2 ILE 76 -10.795 6.151 2.371 550 HG23 ILE 76 3HG2 ILE 76 -11.820 4.788 2.827 551 HD11 ILE 76 1HD1 ILE 76 -7.361 6.109 0.567 552 HD12 ILE 76 2HD1 ILE 76 -8.920 5.815 -0.211 553 HD13 ILE 76 3HD1 ILE 76 -8.836 6.787 1.284 554 H MET 77 H MET 77 -7.952 1.600 1.496 555 HA MET 77 HA MET 77 -8.728 0.960 -1.269 556 HB2 MET 77 1HB MET 77 -6.090 0.990 0.130 557 HB3 MET 77 2HB MET 77 -6.272 0.460 -1.536 558 HG2 MET 77 1HG MET 77 -7.239 3.179 -0.637 559 HG3 MET 77 2HG MET 77 -5.585 2.899 -1.112 560 HE1 MET 77 1HE MET 77 -6.734 5.065 -2.316 561 HE2 MET 77 2HE MET 77 -5.440 4.467 -3.392 562 HE3 MET 77 3HE MET 77 -7.031 4.907 -4.052 563 H ASP 78 H ASP 78 -9.182 -0.759 1.380 564 HA ASP 78 HA ASP 78 -8.239 -3.347 0.323 565 HB2 ASP 78 1HB ASP 78 -8.005 -2.849 2.746 566 HB3 ASP 78 2HB ASP 78 -9.769 -2.815 2.895 567 H MET 79 H MET 79 -9.503 -4.965 -0.484 568 HA MET 79 HA MET 79 -11.080 -5.851 -1.776 569 HB2 MET 79 1HB MET 79 -12.922 -4.664 0.305 570 HB3 MET 79 2HB MET 79 -13.549 -5.561 -1.073 571 HG2 MET 79 1HG MET 79 -11.484 -6.662 0.854 572 HG3 MET 79 2HG MET 79 -13.223 -6.961 0.931 573 HE1 MET 79 1HE MET 79 -11.878 -10.420 -0.205 574 HE2 MET 79 2HE MET 79 -11.261 -9.255 0.993 575 HE3 MET 79 3HE MET 79 -13.007 -9.565 0.878 576 H ILE 80 H ILE 80 -10.273 -2.853 -2.200 577 HA ILE 80 HA ILE 80 -12.268 -1.941 -4.134 578 HB ILE 80 HB ILE 80 -9.636 -1.011 -3.083 579 HG12 ILE 80 1HG1 ILE 80 -12.346 0.218 -3.675 580 HG13 ILE 80 2HG1 ILE 80 -11.617 -0.141 -2.110 581 HG21 ILE 80 1HG2 ILE 80 -10.520 0.003 -5.787 582 HG22 ILE 80 2HG2 ILE 80 -9.172 0.593 -4.765 583 HG23 ILE 80 3HG2 ILE 80 -9.081 -1.008 -5.449 584 HD11 ILE 80 1HD1 ILE 80 -10.900 2.085 -4.056 585 HD12 ILE 80 2HD1 ILE 80 -11.508 2.224 -2.400 586 HD13 ILE 80 3HD1 ILE 80 -9.856 1.651 -2.696 587 H LYS 81 H LYS 81 -12.000 -1.897 -6.401 588 HA LYS 81 HA LYS 81 -10.451 -4.214 -7.484 589 HB2 LYS 81 1HB LYS 81 -13.087 -2.996 -8.341 590 HB3 LYS 81 2HB LYS 81 -12.229 -4.286 -9.202 591 HG2 LYS 81 1HG LYS 81 -12.342 -5.672 -7.067 592 HG3 LYS 81 2HG LYS 81 -13.378 -4.418 -6.382 593 HD2 LYS 81 1HD LYS 81 -14.854 -6.086 -7.160 594 HD3 LYS 81 2HD LYS 81 -14.943 -4.792 -8.364 595 HE2 LYS 81 1HE LYS 81 -13.266 -6.076 -9.760 596 HE3 LYS 81 2HE LYS 81 -13.343 -7.381 -8.570 597 HZ1 LYS 81 1HZ LYS 81 -15.657 -6.401 -10.160 598 HZ2 LYS 81 2HZ LYS 81 -15.719 -7.607 -9.061 599 HZ3 LYS 81 3HZ LYS 81 -14.853 -7.794 -10.429 600 H LEU 82 H LEU 82 -8.635 -2.678 -7.546 601 HA LEU 82 HA LEU 82 -8.489 -0.504 -9.390 602 HB2 LEU 82 1HB LEU 82 -6.872 -1.002 -7.555 603 HB3 LEU 82 2HB LEU 82 -6.306 -2.417 -8.439 604 HG LEU 82 HG LEU 82 -5.384 -1.004 -10.209 605 HD11 LEU 82 1HD1 LEU 82 -6.928 0.860 -10.329 606 HD12 LEU 82 2HD1 LEU 82 -5.358 1.511 -9.873 607 HD13 LEU 82 3HD1 LEU 82 -6.609 1.300 -8.636 608 HD21 LEU 82 1HD2 LEU 82 -3.653 0.148 -8.882 609 HD22 LEU 82 2HD2 LEU 82 -4.031 -1.429 -8.170 610 HD23 LEU 82 3HD2 LEU 82 -4.674 0.054 -7.434 611 H TYR 83 H TYR 83 -8.345 -0.448 -11.638 612 HA TYR 83 HA TYR 83 -9.022 -1.282 -13.643 613 HB2 TYR 83 1HB TYR 83 -6.542 -2.966 -13.225 614 HB3 TYR 83 2HB TYR 83 -7.286 -2.616 -14.776 615 HD1 TYR 83 1HD TYR 83 -4.619 -1.707 -12.796 616 HD2 TYR 83 2HD TYR 83 -7.784 0.066 -15.130 617 HE1 TYR 83 1HE TYR 83 -3.214 0.304 -13.173 618 HE2 TYR 83 2HE TYR 83 -6.385 2.101 -15.473 619 HH TYR 83 HH TYR 83 -3.056 2.366 -14.189 620 H GLY 84 H GLY 84 -10.535 -2.745 -11.576 621 HA2 GLY 84 1HA GLY 84 -12.243 -4.275 -11.765 622 HA3 GLY 84 2HA GLY 84 -11.675 -4.723 -13.369 623 H LYS 85 H LYS 85 -9.644 -4.992 -10.483 624 HA LYS 85 HA LYS 85 -9.913 -7.913 -10.273 625 HB2 LYS 85 1HB LYS 85 -8.062 -7.443 -11.857 626 HB3 LYS 85 2HB LYS 85 -7.290 -6.404 -10.653 627 HG2 LYS 85 1HG LYS 85 -7.085 -8.375 -9.120 628 HG3 LYS 85 2HG LYS 85 -7.832 -9.396 -10.363 629 HD2 LYS 85 1HD LYS 85 -5.968 -8.875 -11.917 630 HD3 LYS 85 2HD LYS 85 -5.239 -7.817 -10.689 631 HE2 LYS 85 1HE LYS 85 -5.046 -9.750 -9.141 632 HE3 LYS 85 2HE LYS 85 -5.756 -10.809 -10.368 633 HZ1 LYS 85 1HZ LYS 85 -3.327 -10.931 -10.390 634 HZ2 LYS 85 2HZ LYS 85 -3.192 -9.322 -10.668 635 HZ3 LYS 85 3HZ LYS 85 -3.848 -10.308 -11.805 636 HA PRO 86 HA PRO 86 -10.219 -6.047 -6.224 637 HB2 PRO 86 1HB PRO 86 -10.615 -8.283 -4.657 638 HB3 PRO 86 2HB PRO 86 -11.857 -7.518 -5.695 639 HG2 PRO 86 1HG PRO 86 -10.103 -9.901 -6.324 640 HG3 PRO 86 2HG PRO 86 -11.864 -9.712 -6.600 641 HD2 PRO 86 1HD PRO 86 -10.050 -9.337 -8.584 642 HD3 PRO 86 2HD PRO 86 -11.493 -8.272 -8.477 643 H ILE 87 H ILE 87 -8.673 -5.188 -5.073 644 HA ILE 87 HA ILE 87 -6.162 -6.661 -4.513 645 HB ILE 87 HB ILE 87 -5.231 -4.479 -3.845 646 HG12 ILE 87 1HG1 ILE 87 -7.558 -3.125 -5.236 647 HG13 ILE 87 2HG1 ILE 87 -7.554 -3.355 -3.484 648 HG21 ILE 87 1HG2 ILE 87 -4.924 -3.688 -6.182 649 HG22 ILE 87 2HG2 ILE 87 -4.815 -5.445 -6.039 650 HG23 ILE 87 3HG2 ILE 87 -6.284 -4.699 -6.698 651 HD11 ILE 87 1HD1 ILE 87 -5.466 -1.800 -5.068 652 HD12 ILE 87 2HD1 ILE 87 -6.752 -1.128 -4.053 653 HD13 ILE 87 3HD1 ILE 87 -5.450 -2.071 -3.309 654 H ARG 88 H ARG 88 -5.305 -6.878 -2.507 655 HA ARG 88 HA ARG 88 -7.070 -6.281 -0.160 656 HB2 ARG 88 1HB ARG 88 -4.983 -8.477 -0.423 657 HB3 ARG 88 2HB ARG 88 -5.879 -8.086 1.038 658 HG2 ARG 88 1HG ARG 88 -6.970 -9.265 -1.538 659 HG3 ARG 88 2HG ARG 88 -6.874 -10.021 0.047 660 HD2 ARG 88 1HD ARG 88 -8.745 -7.815 -0.868 661 HD3 ARG 88 2HD ARG 88 -9.172 -9.435 -0.352 662 HE ARG 88 HE ARG 88 -8.577 -7.086 1.328 663 HH11 ARG 88 1HH1 ARG 88 -8.713 -10.587 1.543 664 HH12 ARG 88 2HH1 ARG 88 -9.074 -10.531 3.247 665 HH21 ARG 88 1HH2 ARG 88 -9.189 -7.074 3.371 666 HH22 ARG 88 2HH2 ARG 88 -9.296 -8.570 4.280 667 H VAL 89 H VAL 89 -6.303 -5.114 1.484 668 HA VAL 89 HA VAL 89 -3.482 -4.150 1.337 669 HB VAL 89 HB VAL 89 -5.887 -2.368 1.846 670 HG11 VAL 89 1HG1 VAL 89 -2.945 -1.677 1.430 671 HG12 VAL 89 2HG1 VAL 89 -4.280 -0.522 1.646 672 HG13 VAL 89 3HG1 VAL 89 -3.818 -1.588 2.970 673 HG21 VAL 89 1HG2 VAL 89 -5.223 -1.333 -0.354 674 HG22 VAL 89 2HG2 VAL 89 -4.073 -2.661 -0.589 675 HG23 VAL 89 3HG2 VAL 89 -5.817 -2.984 -0.537 676 H ASN 90 H ASN 90 -2.413 -3.882 3.202 677 HA ASN 90 HA ASN 90 -3.629 -3.749 5.843 678 HB2 ASN 90 1HB ASN 90 -3.779 -6.241 5.101 679 HB3 ASN 90 2HB ASN 90 -2.024 -6.243 5.161 680 HD21 ASN 90 1HD2 ASN 90 -2.856 -8.097 6.698 681 HD22 ASN 90 2HD2 ASN 90 -3.024 -7.612 8.378 682 H LYS 91 H LYS 91 -1.712 -4.051 7.518 683 HA LYS 91 HA LYS 91 0.425 -2.186 7.041 684 HB2 LYS 91 1HB LYS 91 0.316 -4.505 9.023 685 HB3 LYS 91 2HB LYS 91 1.346 -3.092 9.153 686 HG2 LYS 91 1HG LYS 91 -1.712 -3.022 9.253 687 HG3 LYS 91 2HG LYS 91 -0.696 -3.162 10.662 688 HD2 LYS 91 1HD LYS 91 -0.487 -0.832 8.710 689 HD3 LYS 91 2HD LYS 91 -1.574 -0.831 10.088 690 HE2 LYS 91 1HE LYS 91 1.464 -1.141 10.185 691 HE3 LYS 91 2HE LYS 91 0.592 0.360 10.494 692 HZ1 LYS 91 1HZ LYS 91 1.273 -0.930 12.513 693 HZ2 LYS 91 2HZ LYS 91 0.198 -2.084 12.131 694 HZ3 LYS 91 3HZ LYS 91 -0.337 -0.572 12.473 695 H ALA 92 H ALA 92 2.552 -2.463 6.333 696 HA ALA 92 HA ALA 92 3.173 -4.739 4.703 697 HB1 ALA 92 1HB ALA 92 4.966 -2.567 5.837 698 HB2 ALA 92 2HB ALA 92 5.374 -3.646 4.486 699 HB3 ALA 92 3HB ALA 92 4.051 -2.478 4.310 700 H SER 93 H SER 93 3.805 -4.105 8.095 701 HA SER 93 HA SER 93 5.106 -6.784 8.381 702 HB2 SER 93 1HB SER 93 5.708 -4.263 9.957 703 HB3 SER 93 2HB SER 93 6.351 -5.879 10.308 704 HG SER 93 HG SER 93 7.337 -5.887 8.252 705 H ALA 94 H ALA 94 2.473 -6.875 8.361 706 HA ALA 94 HA ALA 94 1.089 -6.354 10.790 707 HB1 ALA 94 1HB ALA 94 0.520 -8.445 8.646 708 HB2 ALA 94 2HB ALA 94 -0.634 -7.820 9.842 709 HB3 ALA 94 3HB ALA 94 0.006 -6.747 8.586 710 H HIS 95 H HIS 95 0.243 -7.811 12.362 711 HA HIS 95 HA HIS 95 2.199 -9.723 13.406 712 HB2 HIS 95 1HB HIS 95 -0.464 -8.678 14.425 713 HB3 HIS 95 2HB HIS 95 0.448 -9.936 15.251 714 HD2 HIS 95 2HD HIS 95 0.769 -6.181 14.318 715 HE1 HIS 95 1HE HIS 95 3.622 -6.991 17.384 716 HE2 HIS 95 2HE HIS 95 2.562 -5.161 15.976 717 H ASN 96 H ASN 96 1.857 -11.865 13.923 718 HA ASN 96 HA ASN 96 -0.288 -13.335 12.458 719 HB2 ASN 96 1HB ASN 96 1.309 -15.056 11.936 720 HB3 ASN 96 2HB ASN 96 1.925 -13.515 11.362 721 HD21 ASN 96 1HD2 ASN 96 3.729 -15.488 11.509 722 HD22 ASN 96 2HD2 ASN 96 4.783 -15.258 12.898 723 H LYS 97 H LYS 97 -0.162 -12.369 15.294 724 HA LYS 97 HA LYS 97 0.379 -14.548 17.077 725 HB2 LYS 97 1HB LYS 97 -1.239 -11.991 17.448 726 HB3 LYS 97 2HB LYS 97 -0.812 -13.105 18.755 727 HG2 LYS 97 1HG LYS 97 1.583 -12.727 18.375 728 HG3 LYS 97 2HG LYS 97 1.242 -11.720 16.968 729 HD2 LYS 97 1HD LYS 97 1.797 -10.291 18.798 730 HD3 LYS 97 2HD LYS 97 0.090 -10.063 18.403 731 HE2 LYS 97 1HE LYS 97 -0.562 -11.487 20.319 732 HE3 LYS 97 2HE LYS 97 1.142 -11.817 20.675 733 HZ1 LYS 97 1HZ LYS 97 -0.132 -9.130 20.768 734 HZ2 LYS 97 2HZ LYS 97 1.440 -9.439 21.113 735 HZ3 LYS 97 3HZ LYS 97 0.253 -10.006 22.077 736 H ASN 98 H ASN 98 -0.894 -15.929 18.180 737 HA ASN 98 HA ASN 98 -3.686 -16.394 17.243 738 HB2 ASN 98 1HB ASN 98 -3.183 -18.721 16.891 739 HB3 ASN 98 2HB ASN 98 -2.057 -17.751 15.954 740 HD21 ASN 98 1HD2 ASN 98 -1.368 -20.316 16.287 741 HD22 ASN 98 2HD2 ASN 98 -0.076 -20.460 17.471 742 H LEU 99 H LEU 99 -2.585 -15.290 19.834 743 HA LEU 99 HA LEU 99 -2.827 -17.229 21.900 744 HB2 LEU 99 1HB LEU 99 -1.644 -15.059 22.079 745 HB3 LEU 99 2HB LEU 99 -3.182 -14.206 21.956 746 HG LEU 99 HG LEU 99 -3.910 -15.215 24.113 747 HD11 LEU 99 1HD1 LEU 99 -1.075 -16.335 24.215 748 HD12 LEU 99 2HD1 LEU 99 -2.573 -17.290 24.150 749 HD13 LEU 99 3HD1 LEU 99 -2.224 -16.305 25.570 750 HD21 LEU 99 1HD2 LEU 99 -2.421 -13.896 25.545 751 HD22 LEU 99 2HD2 LEU 99 -2.805 -13.015 24.058 752 HD23 LEU 99 3HD2 LEU 99 -1.220 -13.800 24.237 753 H SER 100 H SER 100 -4.493 -17.944 23.142 754 HA SER 100 HA SER 100 -7.203 -17.636 22.123 755 HB2 SER 100 1HB SER 100 -7.666 -19.521 23.689 756 HB3 SER 100 2HB SER 100 -6.365 -19.833 22.531 757 HG SER 100 HG SER 100 -5.816 -20.471 24.683 758 H GLY 101 H GLY 101 -5.713 -15.615 24.134 759 HA2 GLY 101 1HA GLY 101 -6.638 -13.915 25.465 760 HA3 GLY 101 2HA GLY 101 -8.158 -14.797 25.560 761 HA PRO 102 HA PRO 102 -5.731 -15.122 29.572 762 HB2 PRO 102 1HB PRO 102 -7.530 -13.998 31.297 763 HB3 PRO 102 2HB PRO 102 -6.411 -13.032 30.285 764 HG2 PRO 102 1HG PRO 102 -9.308 -13.738 29.701 765 HG3 PRO 102 2HG PRO 102 -8.531 -12.123 29.635 766 HD2 PRO 102 1HD PRO 102 -8.863 -13.644 27.405 767 HD3 PRO 102 2HD PRO 102 -7.392 -12.651 27.632 768 H SER 103 H SER 103 -6.006 -16.563 31.315 769 HA SER 103 HA SER 103 -7.909 -18.747 30.926 770 HB2 SER 103 1HB SER 103 -6.675 -19.744 32.850 771 HB3 SER 103 2HB SER 103 -5.643 -19.286 31.485 772 HG SER 103 HG SER 103 -4.772 -18.615 33.515 773 H SER 104 H SER 104 -7.772 -15.931 32.932 774 HA SER 104 HA SER 104 -9.044 -15.012 34.532 775 HB2 SER 104 1HB SER 104 -11.209 -16.915 33.599 776 HB3 SER 104 2HB SER 104 -11.444 -15.497 34.632 777 HG SER 104 HG SER 104 -11.835 -15.040 32.411 778 H GLY 105 H GLY 105 -10.285 -15.249 36.576 779 HA2 GLY 105 1HA GLY 105 -10.273 -17.648 38.152 780 HA3 GLY 105 2HA GLY 105 -8.823 -16.703 38.497 Start of MODEL 12 1 H1 GLY 1 1H GLY 1 6.569 -13.530 22.050 2 H2 GLY 1 2H GLY 1 7.373 -12.322 21.288 3 H3 GLY 1 3H GLY 1 7.471 -13.855 20.722 4 HA2 GLY 1 1HA GLY 1 5.138 -13.869 20.145 5 HA3 GLY 1 2HA GLY 1 5.019 -12.215 20.775 6 H SER 2 H SER 2 4.345 -13.040 18.104 7 HA SER 2 HA SER 2 6.484 -12.301 16.273 8 HB2 SER 2 1HB SER 2 4.703 -12.576 14.559 9 HB3 SER 2 2HB SER 2 4.901 -13.979 15.623 10 HG SER 2 HG SER 2 2.686 -13.406 15.326 11 H SER 3 H SER 3 4.139 -10.443 18.002 12 HA SER 3 HA SER 3 5.038 -7.979 16.635 13 HB2 SER 3 1HB SER 3 2.766 -7.100 16.464 14 HB3 SER 3 2HB SER 3 2.951 -8.572 15.500 15 HG SER 3 HG SER 3 1.005 -8.580 16.720 16 H GLY 4 H GLY 4 4.565 -6.016 17.851 17 HA2 GLY 4 1HA GLY 4 3.541 -5.780 20.438 18 HA3 GLY 4 2HA GLY 4 5.227 -6.261 20.643 19 H SER 5 H SER 5 4.877 -3.999 21.754 20 HA SER 5 HA SER 5 5.020 -1.638 20.093 21 HB2 SER 5 1HB SER 5 5.808 -2.022 23.003 22 HB3 SER 5 2HB SER 5 5.579 -0.471 22.175 23 HG SER 5 HG SER 5 3.705 -1.119 23.346 24 H SER 6 H SER 6 6.745 -0.327 19.582 25 HA SER 6 HA SER 6 9.537 -1.260 20.080 26 HB2 SER 6 1HB SER 6 8.363 -0.516 17.371 27 HB3 SER 6 2HB SER 6 10.087 -0.755 17.707 28 HG SER 6 HG SER 6 9.074 -2.640 16.847 29 H GLY 7 H GLY 7 11.140 0.350 19.919 30 HA2 GLY 7 1HA GLY 7 10.346 3.055 20.636 31 HA3 GLY 7 2HA GLY 7 11.987 2.460 20.404 32 HA PRO 8 HA PRO 8 10.647 5.080 16.705 33 HB2 PRO 8 1HB PRO 8 11.665 7.533 17.245 34 HB3 PRO 8 2HB PRO 8 10.141 6.957 17.973 35 HG2 PRO 8 1HG PRO 8 12.915 6.887 19.216 36 HG3 PRO 8 2HG PRO 8 11.402 7.534 19.928 37 HD2 PRO 8 1HD PRO 8 12.305 4.994 20.437 38 HD3 PRO 8 2HD PRO 8 10.562 5.382 20.338 39 H ILE 9 H ILE 9 12.249 3.257 16.164 40 HA ILE 9 HA ILE 9 15.051 3.880 15.934 41 HB ILE 9 HB ILE 9 15.379 1.891 14.823 42 HG12 ILE 9 1HG1 ILE 9 13.650 1.830 13.141 43 HG13 ILE 9 2HG1 ILE 9 13.762 0.353 14.066 44 HG21 ILE 9 1HG2 ILE 9 14.990 1.779 17.230 45 HG22 ILE 9 2HG2 ILE 9 13.273 1.422 16.965 46 HG23 ILE 9 3HG2 ILE 9 14.511 0.282 16.414 47 HD11 ILE 9 1HD1 ILE 9 11.434 0.857 13.581 48 HD12 ILE 9 2HD1 ILE 9 11.693 0.970 15.325 49 HD13 ILE 9 3HD1 ILE 9 11.565 2.448 14.335 50 H SER 10 H SER 10 12.423 4.659 13.890 51 HA SER 10 HA SER 10 12.090 5.651 11.924 52 HB2 SER 10 1HB SER 10 14.876 6.761 12.325 53 HB3 SER 10 2HB SER 10 13.676 7.359 11.168 54 HG SER 10 HG SER 10 13.647 8.529 13.156 55 H GLU 11 H GLU 11 15.217 3.946 11.751 56 HA GLU 11 HA GLU 11 15.263 3.923 8.857 57 HB2 GLU 11 1HB GLU 11 17.000 2.477 10.889 58 HB3 GLU 11 2HB GLU 11 17.327 2.606 9.154 59 HG2 GLU 11 1HG GLU 11 17.375 5.097 9.367 60 HG3 GLU 11 2HG GLU 11 17.206 4.930 11.116 61 H ARG 12 H ARG 12 12.893 2.692 9.821 62 HA ARG 12 HA ARG 12 13.004 0.109 8.360 63 HB2 ARG 12 1HB ARG 12 11.853 0.355 11.180 64 HB3 ARG 12 2HB ARG 12 11.583 -1.015 10.112 65 HG2 ARG 12 1HG ARG 12 14.296 -0.157 11.208 66 HG3 ARG 12 2HG ARG 12 13.285 -1.454 11.836 67 HD2 ARG 12 1HD ARG 12 13.437 -2.663 9.689 68 HD3 ARG 12 2HD ARG 12 14.464 -1.401 9.020 69 HE ARG 12 HE ARG 12 15.196 -3.465 10.983 70 HH11 ARG 12 1HH1 ARG 12 16.279 -0.446 9.518 71 HH12 ARG 12 2HH1 ARG 12 17.946 -0.773 9.923 72 HH21 ARG 12 1HH2 ARG 12 17.329 -3.773 11.473 73 HH22 ARG 12 2HH2 ARG 12 18.514 -2.588 11.011 74 H ASN 13 H ASN 13 10.790 2.198 10.193 75 HA ASN 13 HA ASN 13 8.677 2.844 9.892 76 HB2 ASN 13 1HB ASN 13 8.336 4.323 8.044 77 HB3 ASN 13 2HB ASN 13 9.972 4.469 8.656 78 HD21 ASN 13 1HD2 ASN 13 8.071 2.921 5.989 79 HD22 ASN 13 2HD2 ASN 13 9.341 3.218 4.810 80 H GLN 14 H GLN 14 8.878 -0.049 9.314 81 HA GLN 14 HA GLN 14 7.198 -0.705 7.102 82 HB2 GLN 14 1HB GLN 14 7.895 -2.294 9.605 83 HB3 GLN 14 2HB GLN 14 7.080 -2.948 8.177 84 HG2 GLN 14 1HG GLN 14 9.038 -2.335 6.770 85 HG3 GLN 14 2HG GLN 14 9.890 -1.779 8.212 86 HE21 GLN 14 1HE2 GLN 14 11.278 -3.614 6.906 87 HE22 GLN 14 2HE2 GLN 14 11.133 -5.191 7.671 88 H ASP 15 H ASP 15 6.256 0.502 10.211 89 HA ASP 15 HA ASP 15 3.468 -0.446 9.897 90 HB2 ASP 15 1HB ASP 15 4.898 1.203 12.002 91 HB3 ASP 15 2HB ASP 15 3.151 0.983 11.980 92 H ALA 16 H ALA 16 5.342 2.415 9.074 93 HA ALA 16 HA ALA 16 2.891 3.950 8.411 94 HB1 ALA 16 1HB ALA 16 5.824 4.681 8.120 95 HB2 ALA 16 2HB ALA 16 4.423 5.749 7.876 96 HB3 ALA 16 3HB ALA 16 4.764 5.108 9.491 97 H THR 17 H THR 17 5.043 1.690 6.927 98 HA THR 17 HA THR 17 4.043 2.314 4.214 99 HB THR 17 HB THR 17 5.842 0.037 5.079 100 HG1 THR 17 1HG THR 17 7.462 1.377 4.191 101 HG21 THR 17 1HG2 THR 17 4.802 -0.316 2.839 102 HG22 THR 17 2HG2 THR 17 6.533 0.007 2.688 103 HG23 THR 17 3HG2 THR 17 5.370 1.288 2.325 104 H VAL 18 H VAL 18 2.465 1.217 3.186 105 HA VAL 18 HA VAL 18 1.162 -1.077 4.596 106 HB VAL 18 HB VAL 18 -0.826 -0.719 3.332 107 HG11 VAL 18 1HG1 VAL 18 -0.507 0.579 5.432 108 HG12 VAL 18 2HG1 VAL 18 0.075 1.955 4.463 109 HG13 VAL 18 3HG1 VAL 18 -1.588 1.382 4.275 110 HG21 VAL 18 1HG2 VAL 18 0.487 1.697 2.051 111 HG22 VAL 18 2HG2 VAL 18 0.062 0.190 1.206 112 HG23 VAL 18 3HG2 VAL 18 -1.208 1.214 1.882 113 H TYR 19 H TYR 19 0.694 -2.922 3.462 114 HA TYR 19 HA TYR 19 2.232 -3.506 0.965 115 HB2 TYR 19 1HB TYR 19 2.702 -5.112 2.661 116 HB3 TYR 19 2HB TYR 19 1.032 -5.164 3.196 117 HD1 TYR 19 1HD TYR 19 3.434 -6.480 0.729 118 HD2 TYR 19 2HD TYR 19 -0.701 -6.401 1.957 119 HE1 TYR 19 1HE TYR 19 2.979 -8.498 -0.652 120 HE2 TYR 19 2HE TYR 19 -1.160 -8.391 0.536 121 HH TYR 19 HH TYR 19 1.412 -10.003 -1.370 122 H VAL 20 H VAL 20 1.130 -4.092 -0.864 123 HA VAL 20 HA VAL 20 -1.857 -4.163 -0.854 124 HB VAL 20 HB VAL 20 -0.183 -2.762 -2.978 125 HG11 VAL 20 1HG1 VAL 20 -2.318 -3.739 -3.780 126 HG12 VAL 20 2HG1 VAL 20 -3.190 -2.919 -2.476 127 HG13 VAL 20 3HG1 VAL 20 -2.404 -1.969 -3.752 128 HG21 VAL 20 1HG2 VAL 20 -0.105 -1.389 -0.946 129 HG22 VAL 20 2HG2 VAL 20 -1.137 -0.653 -2.166 130 HG23 VAL 20 3HG2 VAL 20 -1.871 -1.499 -0.782 131 H GLY 21 H GLY 21 -2.318 -6.224 -1.400 132 HA2 GLY 21 1HA GLY 21 -0.616 -7.666 -3.410 133 HA3 GLY 21 2HA GLY 21 -1.608 -8.426 -2.181 134 H GLY 22 H GLY 22 -1.481 -8.512 -5.233 135 HA2 GLY 22 1HA GLY 22 -3.226 -9.562 -6.492 136 HA3 GLY 22 2HA GLY 22 -4.446 -8.621 -5.633 137 H LEU 23 H LEU 23 -1.460 -7.405 -7.186 138 HA LEU 23 HA LEU 23 -2.950 -5.210 -8.418 139 HB2 LEU 23 1HB LEU 23 0.003 -5.959 -8.449 140 HB3 LEU 23 2HB LEU 23 -0.671 -4.467 -9.098 141 HG LEU 23 HG LEU 23 -0.646 -5.312 -6.165 142 HD11 LEU 23 1HD1 LEU 23 1.530 -4.602 -7.110 143 HD12 LEU 23 2HD1 LEU 23 0.907 -3.453 -5.907 144 HD13 LEU 23 3HD1 LEU 23 0.801 -3.074 -7.638 145 HD21 LEU 23 1HD2 LEU 23 -1.406 -2.896 -5.824 146 HD22 LEU 23 2HD2 LEU 23 -2.627 -4.018 -6.439 147 HD23 LEU 23 3HD2 LEU 23 -1.840 -2.876 -7.542 148 H ASP 24 H ASP 24 -3.149 -4.771 -10.570 149 HA ASP 24 HA ASP 24 -3.000 -7.057 -12.395 150 HB2 ASP 24 1HB ASP 24 -5.014 -5.633 -12.338 151 HB3 ASP 24 2HB ASP 24 -4.044 -4.218 -12.754 152 H GLU 25 H GLU 25 -1.992 -6.877 -14.564 153 HA GLU 25 HA GLU 25 0.717 -6.056 -14.497 154 HB2 GLU 25 1HB GLU 25 0.775 -6.653 -16.839 155 HB3 GLU 25 2HB GLU 25 -0.139 -7.843 -15.917 156 HG2 GLU 25 1HG GLU 25 -2.271 -6.818 -16.715 157 HG3 GLU 25 2HG GLU 25 -1.347 -5.635 -17.644 158 H LYS 26 H LYS 26 -2.085 -4.092 -15.309 159 HA LYS 26 HA LYS 26 -0.505 -1.972 -16.594 160 HB2 LYS 26 1HB LYS 26 -3.386 -2.093 -15.636 161 HB3 LYS 26 2HB LYS 26 -2.674 -0.733 -16.513 162 HG2 LYS 26 1HG LYS 26 -2.116 -2.227 -18.413 163 HG3 LYS 26 2HG LYS 26 -2.884 -3.584 -17.592 164 HD2 LYS 26 1HD LYS 26 -4.250 -1.012 -18.481 165 HD3 LYS 26 2HD LYS 26 -4.342 -2.566 -19.307 166 HE2 LYS 26 1HE LYS 26 -5.420 -1.944 -16.522 167 HE3 LYS 26 2HE LYS 26 -6.373 -2.085 -18.003 168 HZ1 LYS 26 1HZ LYS 26 -6.496 -4.156 -16.845 169 HZ2 LYS 26 2HZ LYS 26 -4.884 -4.256 -16.631 170 HZ3 LYS 26 3HZ LYS 26 -5.535 -4.435 -18.137 171 H VAL 27 H VAL 27 -0.786 -2.844 -13.346 172 HA VAL 27 HA VAL 27 -0.689 -0.134 -12.219 173 HB VAL 27 HB VAL 27 -0.151 -2.818 -10.894 174 HG11 VAL 27 1HG1 VAL 27 -0.584 -0.054 -9.686 175 HG12 VAL 27 2HG1 VAL 27 -0.582 -1.576 -8.792 176 HG13 VAL 27 3HG1 VAL 27 0.883 -1.036 -9.584 177 HG21 VAL 27 1HG2 VAL 27 -2.484 -2.660 -11.677 178 HG22 VAL 27 2HG2 VAL 27 -2.426 -2.519 -9.921 179 HG23 VAL 27 3HG2 VAL 27 -2.653 -1.067 -10.912 180 H SER 28 H SER 28 1.072 0.998 -11.530 181 HA SER 28 HA SER 28 3.735 -0.276 -11.323 182 HB2 SER 28 1HB SER 28 3.161 2.133 -13.096 183 HB3 SER 28 2HB SER 28 4.779 1.718 -12.502 184 HG SER 28 HG SER 28 3.209 -0.210 -13.844 185 H GLU 29 H GLU 29 5.291 1.191 -10.093 186 HA GLU 29 HA GLU 29 4.105 2.050 -7.734 187 HB2 GLU 29 1HB GLU 29 6.804 2.766 -8.958 188 HB3 GLU 29 2HB GLU 29 6.300 3.365 -7.403 189 HG2 GLU 29 1HG GLU 29 7.038 1.531 -6.442 190 HG3 GLU 29 2HG GLU 29 5.762 0.620 -7.213 191 HA PRO 30 HA PRO 30 4.135 6.689 -9.085 192 HB2 PRO 30 1HB PRO 30 3.571 6.368 -12.032 193 HB3 PRO 30 2HB PRO 30 4.460 7.673 -11.186 194 HG2 PRO 30 1HG PRO 30 5.831 5.757 -12.505 195 HG3 PRO 30 2HG PRO 30 6.372 6.252 -10.864 196 HD2 PRO 30 1HD PRO 30 4.644 3.879 -11.633 197 HD3 PRO 30 2HD PRO 30 6.101 3.914 -10.599 198 H LEU 31 H LEU 31 2.083 4.171 -10.528 199 HA LEU 31 HA LEU 31 -0.379 5.731 -10.494 200 HB2 LEU 31 1HB LEU 31 -0.090 3.621 -11.869 201 HB3 LEU 31 2HB LEU 31 -0.010 2.705 -10.366 202 HG LEU 31 HG LEU 31 -2.349 3.652 -9.772 203 HD11 LEU 31 1HD1 LEU 31 -3.675 4.337 -11.745 204 HD12 LEU 31 2HD1 LEU 31 -2.196 4.306 -12.741 205 HD13 LEU 31 3HD1 LEU 31 -2.370 5.486 -11.413 206 HD21 LEU 31 1HD2 LEU 31 -3.449 2.012 -11.315 207 HD22 LEU 31 2HD2 LEU 31 -2.051 1.364 -10.449 208 HD23 LEU 31 3HD2 LEU 31 -1.899 1.831 -12.164 209 H LEU 32 H LEU 32 1.051 3.198 -8.372 210 HA LEU 32 HA LEU 32 -0.966 3.270 -6.399 211 HB2 LEU 32 1HB LEU 32 2.020 2.737 -5.977 212 HB3 LEU 32 2HB LEU 32 0.731 2.364 -4.838 213 HG LEU 32 HG LEU 32 1.237 1.062 -7.521 214 HD11 LEU 32 1HD1 LEU 32 1.122 -0.027 -4.674 215 HD12 LEU 32 2HD1 LEU 32 2.613 0.306 -5.595 216 HD13 LEU 32 3HD1 LEU 32 1.492 -0.953 -6.147 217 HD21 LEU 32 1HD2 LEU 32 -1.108 0.763 -5.591 218 HD22 LEU 32 2HD2 LEU 32 -0.710 -0.441 -6.826 219 HD23 LEU 32 3HD2 LEU 32 -1.174 1.198 -7.320 220 H TRP 33 H TRP 33 1.996 5.233 -6.612 221 HA TRP 33 HA TRP 33 1.776 6.591 -4.155 222 HB2 TRP 33 1HB TRP 33 3.662 6.570 -5.862 223 HB3 TRP 33 2HB TRP 33 2.792 7.780 -6.773 224 HD1 TRP 33 HD TRP 33 2.000 9.673 -4.217 225 HE1 TRP 33 1HE TRP 33 3.852 10.984 -3.005 226 HE3 TRP 33 3HE TRP 33 6.028 7.052 -5.884 227 HZ2 TRP 33 2HZ TRP 33 6.734 10.893 -2.785 228 HZ3 TRP 33 3HZ TRP 33 8.346 7.665 -5.153 229 HH2 TRP 33 HH TRP 33 8.696 9.579 -3.602 230 H GLU 34 H GLU 34 0.729 7.892 -7.332 231 HA GLU 34 HA GLU 34 -0.707 10.100 -6.219 232 HB2 GLU 34 1HB GLU 34 -0.904 8.731 -8.939 233 HB3 GLU 34 2HB GLU 34 -1.708 10.256 -8.521 234 HG2 GLU 34 1HG GLU 34 0.566 11.161 -7.860 235 HG3 GLU 34 2HG GLU 34 1.291 9.740 -8.603 236 H LEU 35 H LEU 35 -1.812 6.822 -6.915 237 HA LEU 35 HA LEU 35 -4.629 7.381 -6.591 238 HB2 LEU 35 1HB LEU 35 -3.444 5.356 -7.737 239 HB3 LEU 35 2HB LEU 35 -3.273 4.721 -6.094 240 HG LEU 35 HG LEU 35 -5.843 5.059 -5.963 241 HD11 LEU 35 1HD1 LEU 35 -6.120 6.387 -8.012 242 HD12 LEU 35 2HD1 LEU 35 -7.034 4.874 -8.094 243 HD13 LEU 35 3HD1 LEU 35 -5.499 5.028 -8.978 244 HD21 LEU 35 1HD2 LEU 35 -4.751 2.876 -5.988 245 HD22 LEU 35 2HD2 LEU 35 -4.651 2.931 -7.766 246 HD23 LEU 35 3HD2 LEU 35 -6.233 2.850 -6.948 247 H PHE 36 H PHE 36 -2.049 6.456 -4.291 248 HA PHE 36 HA PHE 36 -3.963 6.072 -2.086 249 HB2 PHE 36 1HB PHE 36 -1.022 5.589 -2.497 250 HB3 PHE 36 2HB PHE 36 -1.651 5.699 -0.898 251 HD1 PHE 36 1HD PHE 36 -2.178 3.693 0.169 252 HD2 PHE 36 2HD PHE 36 -2.615 3.920 -4.106 253 HE1 PHE 36 1HE PHE 36 -2.908 1.324 0.112 254 HE2 PHE 36 2HE PHE 36 -3.293 1.541 -4.167 255 HZ PHE 36 HZ PHE 36 -3.483 0.247 -2.053 256 H LEU 37 H LEU 37 -2.197 8.761 -3.315 257 HA LEU 37 HA LEU 37 -1.906 10.408 -1.062 258 HB2 LEU 37 1HB LEU 37 -2.783 10.948 -3.915 259 HB3 LEU 37 2HB LEU 37 -2.627 12.257 -2.749 260 HG LEU 37 HG LEU 37 -0.363 10.479 -3.686 261 HD11 LEU 37 1HD1 LEU 37 0.470 12.504 -4.742 262 HD12 LEU 37 2HD1 LEU 37 -0.900 13.441 -4.100 263 HD13 LEU 37 3HD1 LEU 37 -1.176 12.180 -5.317 264 HD21 LEU 37 1HD2 LEU 37 1.085 12.060 -2.429 265 HD22 LEU 37 2HD2 LEU 37 0.039 11.097 -1.379 266 HD23 LEU 37 3HD2 LEU 37 -0.378 12.789 -1.715 267 H GLN 38 H GLN 38 -4.869 9.248 -2.372 268 HA GLN 38 HA GLN 38 -6.734 11.146 -1.299 269 HB2 GLN 38 1HB GLN 38 -7.133 8.155 -1.758 270 HB3 GLN 38 2HB GLN 38 -8.398 9.386 -1.620 271 HG2 GLN 38 1HG GLN 38 -7.476 10.502 -3.680 272 HG3 GLN 38 2HG GLN 38 -6.288 9.187 -3.785 273 HE21 GLN 38 1HE2 GLN 38 -6.956 7.123 -4.511 274 HE22 GLN 38 2HE2 GLN 38 -8.569 6.858 -5.196 275 H ALA 39 H ALA 39 -5.066 8.381 0.162 276 HA ALA 39 HA ALA 39 -6.678 8.429 2.614 277 HB1 ALA 39 1HB ALA 39 -4.081 7.016 1.884 278 HB2 ALA 39 2HB ALA 39 -5.006 6.749 3.371 279 HB3 ALA 39 3HB ALA 39 -5.709 6.328 1.795 280 H GLY 40 H GLY 40 -3.359 9.404 1.703 281 HA2 GLY 40 1HA GLY 40 -3.310 11.740 3.347 282 HA3 GLY 40 2HA GLY 40 -2.493 10.415 4.183 283 HA PRO 41 HA PRO 41 0.466 12.627 1.273 284 HB2 PRO 41 1HB PRO 41 2.446 13.199 3.097 285 HB3 PRO 41 2HB PRO 41 1.025 14.246 2.794 286 HG2 PRO 41 1HG PRO 41 1.361 12.163 4.971 287 HG3 PRO 41 2HG PRO 41 0.817 13.859 5.148 288 HD2 PRO 41 1HD PRO 41 -0.923 11.779 5.004 289 HD3 PRO 41 2HD PRO 41 -1.316 13.315 4.179 290 H VAL 42 H VAL 42 1.271 11.084 0.053 291 HA VAL 42 HA VAL 42 2.681 8.723 1.128 292 HB VAL 42 HB VAL 42 1.982 9.471 -1.726 293 HG11 VAL 42 1HG1 VAL 42 3.191 6.922 -0.555 294 HG12 VAL 42 2HG1 VAL 42 2.570 7.084 -2.207 295 HG13 VAL 42 3HG1 VAL 42 3.971 8.020 -1.711 296 HG21 VAL 42 1HG2 VAL 42 0.765 7.386 0.127 297 HG22 VAL 42 2HG2 VAL 42 -0.017 8.897 -0.383 298 HG23 VAL 42 3HG2 VAL 42 0.340 7.651 -1.578 299 H VAL 43 H VAL 43 4.747 8.447 1.123 300 HA VAL 43 HA VAL 43 6.556 10.704 0.386 301 HB VAL 43 HB VAL 43 7.032 8.465 2.388 302 HG11 VAL 43 1HG1 VAL 43 8.543 10.120 3.452 303 HG12 VAL 43 2HG1 VAL 43 9.049 9.741 1.799 304 HG13 VAL 43 3HG1 VAL 43 8.201 11.272 2.146 305 HG21 VAL 43 1HG2 VAL 43 5.743 11.176 2.902 306 HG22 VAL 43 2HG2 VAL 43 5.001 9.573 3.116 307 HG23 VAL 43 3HG2 VAL 43 6.340 10.057 4.153 308 H ASN 44 H ASN 44 6.128 7.231 0.000 309 HA ASN 44 HA ASN 44 8.149 6.989 -2.093 310 HB2 ASN 44 1HB ASN 44 9.640 6.932 -0.210 311 HB3 ASN 44 2HB ASN 44 8.574 5.923 0.726 312 HD21 ASN 44 1HD2 ASN 44 9.654 4.036 1.100 313 HD22 ASN 44 2HD2 ASN 44 10.447 3.118 -0.182 314 H THR 45 H THR 45 8.177 4.740 -2.979 315 HA THR 45 HA THR 45 5.911 2.954 -2.332 316 HB THR 45 HB THR 45 5.584 2.726 -4.927 317 HG1 THR 45 1HG THR 45 6.493 5.385 -4.653 318 HG21 THR 45 1HG2 THR 45 3.747 4.223 -4.977 319 HG22 THR 45 2HG2 THR 45 4.349 5.129 -3.558 320 HG23 THR 45 3HG2 THR 45 3.806 3.439 -3.401 321 H HIS 46 H HIS 46 6.185 0.793 -3.125 322 HA HIS 46 HA HIS 46 8.703 0.154 -4.559 323 HB2 HIS 46 1HB HIS 46 9.141 0.025 -2.039 324 HB3 HIS 46 2HB HIS 46 7.898 -1.190 -1.951 325 HD2 HIS 46 2HD HIS 46 9.587 -3.067 -1.121 326 HE1 HIS 46 1HE HIS 46 11.808 -3.452 -4.744 327 HE2 HIS 46 2HE HIS 46 11.379 -4.472 -2.448 328 H MET 47 H MET 47 8.341 -1.412 -6.083 329 HA MET 47 HA MET 47 6.268 -3.493 -5.544 330 HB2 MET 47 1HB MET 47 6.478 -1.895 -8.104 331 HB3 MET 47 2HB MET 47 5.748 -3.494 -8.017 332 HG2 MET 47 1HG MET 47 4.058 -2.787 -6.521 333 HG3 MET 47 2HG MET 47 4.834 -1.231 -6.222 334 HE1 MET 47 1HE MET 47 4.305 -2.894 -9.834 335 HE2 MET 47 2HE MET 47 3.033 -3.502 -8.745 336 HE3 MET 47 3HE MET 47 2.621 -2.414 -10.092 337 HA PRO 48 HA PRO 48 10.228 -5.594 -6.333 338 HB2 PRO 48 1HB PRO 48 8.337 -7.871 -5.669 339 HB3 PRO 48 2HB PRO 48 10.065 -7.679 -5.221 340 HG2 PRO 48 1HG PRO 48 8.172 -7.055 -3.413 341 HG3 PRO 48 2HG PRO 48 9.528 -5.917 -3.668 342 HD2 PRO 48 1HD PRO 48 6.718 -5.776 -4.799 343 HD3 PRO 48 2HD PRO 48 7.695 -4.466 -4.057 344 H LYS 49 H LYS 49 11.031 -6.598 -8.140 345 HA LYS 49 HA LYS 49 9.127 -7.050 -10.399 346 HB2 LYS 49 1HB LYS 49 12.008 -6.104 -10.521 347 HB3 LYS 49 2HB LYS 49 10.911 -6.291 -11.881 348 HG2 LYS 49 1HG LYS 49 10.717 -4.234 -9.654 349 HG3 LYS 49 2HG LYS 49 11.139 -3.964 -11.345 350 HD2 LYS 49 1HD LYS 49 8.803 -4.823 -11.951 351 HD3 LYS 49 2HD LYS 49 8.416 -4.740 -10.231 352 HE2 LYS 49 1HE LYS 49 9.198 -2.430 -12.066 353 HE3 LYS 49 2HE LYS 49 7.610 -2.756 -11.371 354 HZ1 LYS 49 1HZ LYS 49 8.512 -1.129 -9.968 355 HZ2 LYS 49 2HZ LYS 49 10.014 -1.791 -9.957 356 HZ3 LYS 49 3HZ LYS 49 8.800 -2.504 -9.134 357 H ASP 50 H ASP 50 9.640 -8.469 -12.035 358 HA ASP 50 HA ASP 50 10.723 -11.053 -11.268 359 HB2 ASP 50 1HB ASP 50 8.707 -10.825 -12.662 360 HB3 ASP 50 2HB ASP 50 9.619 -9.938 -13.880 361 H ARG 51 H ARG 51 12.426 -12.182 -12.324 362 HA ARG 51 HA ARG 51 14.721 -10.429 -12.878 363 HB2 ARG 51 1HB ARG 51 16.092 -12.331 -12.299 364 HB3 ARG 51 2HB ARG 51 14.837 -12.101 -11.086 365 HG2 ARG 51 1HG ARG 51 13.508 -13.954 -12.111 366 HG3 ARG 51 2HG ARG 51 14.784 -14.185 -13.323 367 HD2 ARG 51 1HD ARG 51 16.402 -14.700 -11.528 368 HD3 ARG 51 2HD ARG 51 15.131 -14.456 -10.311 369 HE ARG 51 HE ARG 51 14.217 -16.387 -12.194 370 HH11 ARG 51 1HH1 ARG 51 16.617 -16.195 -9.650 371 HH12 ARG 51 2HH1 ARG 51 16.559 -17.909 -9.339 372 HH21 ARG 51 1HH2 ARG 51 14.192 -18.565 -11.749 373 HH22 ARG 51 2HH2 ARG 51 15.219 -19.209 -10.502 374 H VAL 52 H VAL 52 12.621 -11.702 -15.038 375 HA VAL 52 HA VAL 52 14.734 -11.833 -17.158 376 HB VAL 52 HB VAL 52 13.330 -13.627 -18.275 377 HG11 VAL 52 1HG1 VAL 52 14.503 -15.457 -17.152 378 HG12 VAL 52 2HG1 VAL 52 15.570 -14.050 -17.301 379 HG13 VAL 52 3HG1 VAL 52 14.816 -14.428 -15.738 380 HG21 VAL 52 1HG2 VAL 52 11.356 -13.537 -16.836 381 HG22 VAL 52 2HG2 VAL 52 12.046 -15.162 -16.941 382 HG23 VAL 52 3HG2 VAL 52 12.299 -14.184 -15.479 383 H THR 53 H THR 53 11.365 -11.182 -16.312 384 HA THR 53 HA THR 53 10.956 -9.967 -18.989 385 HB THR 53 HB THR 53 8.570 -9.982 -18.503 386 HG1 THR 53 1HG THR 53 9.336 -11.354 -16.141 387 HG21 THR 53 1HG2 THR 53 9.519 -11.930 -19.649 388 HG22 THR 53 2HG2 THR 53 8.167 -12.394 -18.596 389 HG23 THR 53 3HG2 THR 53 9.839 -12.715 -18.097 390 H GLY 54 H GLY 54 11.435 -9.233 -15.654 391 HA2 GLY 54 1HA GLY 54 11.601 -7.301 -14.506 392 HA3 GLY 54 2HA GLY 54 11.500 -6.429 -16.040 393 H GLN 55 H GLN 55 8.753 -8.391 -15.557 394 HA GLN 55 HA GLN 55 6.869 -6.242 -15.053 395 HB2 GLN 55 1HB GLN 55 6.616 -9.277 -14.884 396 HB3 GLN 55 2HB GLN 55 5.263 -8.145 -14.834 397 HG2 GLN 55 1HG GLN 55 5.733 -7.396 -17.123 398 HG3 GLN 55 2HG GLN 55 7.165 -8.423 -17.207 399 HE21 GLN 55 1HE2 GLN 55 6.820 -10.827 -16.955 400 HE22 GLN 55 2HE2 GLN 55 5.298 -11.484 -17.569 401 H HIS 56 H HIS 56 5.406 -6.214 -13.077 402 HA HIS 56 HA HIS 56 6.972 -6.600 -10.619 403 HB2 HIS 56 1HB HIS 56 5.225 -5.549 -9.438 404 HB3 HIS 56 2HB HIS 56 5.542 -4.624 -10.901 405 HD2 HIS 56 2HD HIS 56 3.453 -4.097 -12.401 406 HE1 HIS 56 1HE HIS 56 0.640 -6.733 -10.590 407 HE2 HIS 56 2HE HIS 56 0.924 -4.848 -12.256 408 H GLN 57 H GLN 57 6.292 -7.820 -8.785 409 HA GLN 57 HA GLN 57 5.607 -10.535 -9.567 410 HB2 GLN 57 1HB GLN 57 6.437 -9.334 -6.905 411 HB3 GLN 57 2HB GLN 57 6.198 -11.061 -7.203 412 HG2 GLN 57 1HG GLN 57 7.961 -11.012 -8.960 413 HG3 GLN 57 2HG GLN 57 8.257 -9.315 -8.607 414 HE21 GLN 57 1HE2 GLN 57 10.545 -9.974 -8.078 415 HE22 GLN 57 2HE2 GLN 57 10.826 -10.715 -6.509 416 H GLY 58 H GLY 58 3.352 -8.361 -9.343 417 HA2 GLY 58 1HA GLY 58 1.059 -8.688 -9.144 418 HA3 GLY 58 2HA GLY 58 1.318 -10.181 -8.245 419 H TYR 59 H TYR 59 3.207 -7.868 -6.743 420 HA TYR 59 HA TYR 59 1.076 -6.642 -5.119 421 HB2 TYR 59 1HB TYR 59 1.955 -7.369 -3.028 422 HB3 TYR 59 2HB TYR 59 1.605 -8.781 -3.999 423 HD1 TYR 59 1HD TYR 59 4.178 -6.883 -2.236 424 HD2 TYR 59 2HD TYR 59 3.501 -10.090 -5.047 425 HE1 TYR 59 1HE TYR 59 6.447 -7.781 -1.767 426 HE2 TYR 59 2HE TYR 59 5.805 -10.938 -4.628 427 HH TYR 59 HH TYR 59 7.992 -9.405 -2.231 428 H GLY 60 H GLY 60 1.843 -4.979 -3.698 429 HA2 GLY 60 1HA GLY 60 4.469 -3.724 -4.265 430 HA3 GLY 60 2HA GLY 60 2.999 -2.839 -4.685 431 H PHE 61 H PHE 61 4.364 -1.458 -3.140 432 HA PHE 61 HA PHE 61 3.029 -1.503 -0.513 433 HB2 PHE 61 1HB PHE 61 6.004 -1.023 -0.907 434 HB3 PHE 61 2HB PHE 61 5.144 -0.941 0.604 435 HD1 PHE 61 1HD PHE 61 4.554 -2.937 1.861 436 HD2 PHE 61 2HD PHE 61 6.563 -3.213 -1.939 437 HE1 PHE 61 1HE PHE 61 5.212 -5.282 2.378 438 HE2 PHE 61 2HE PHE 61 7.213 -5.551 -1.430 439 HZ PHE 61 HZ PHE 61 6.534 -6.593 0.730 440 H VAL 62 H VAL 62 2.837 0.526 0.473 441 HA VAL 62 HA VAL 62 3.750 2.942 -1.033 442 HB VAL 62 HB VAL 62 0.942 2.687 0.111 443 HG11 VAL 62 1HG1 VAL 62 0.585 4.782 -1.118 444 HG12 VAL 62 2HG1 VAL 62 1.852 4.969 0.081 445 HG13 VAL 62 3HG1 VAL 62 2.279 4.780 -1.642 446 HG21 VAL 62 1HG2 VAL 62 0.994 1.237 -1.833 447 HG22 VAL 62 2HG2 VAL 62 0.172 2.734 -2.265 448 HG23 VAL 62 3HG2 VAL 62 1.850 2.469 -2.781 449 H GLU 63 H GLU 63 4.742 4.376 0.264 450 HA GLU 63 HA GLU 63 4.697 3.924 3.209 451 HB2 GLU 63 1HB GLU 63 6.824 3.753 1.945 452 HB3 GLU 63 2HB GLU 63 6.622 5.449 1.471 453 HG2 GLU 63 1HG GLU 63 6.721 6.165 3.809 454 HG3 GLU 63 2HG GLU 63 6.858 4.493 4.347 455 H PHE 64 H PHE 64 3.538 5.258 4.439 456 HA PHE 64 HA PHE 64 2.820 7.965 3.446 457 HB2 PHE 64 1HB PHE 64 1.722 6.208 5.663 458 HB3 PHE 64 2HB PHE 64 1.276 7.889 5.440 459 HD1 PHE 64 1HD PHE 64 0.073 8.675 3.479 460 HD2 PHE 64 2HD PHE 64 0.948 4.495 4.027 461 HE1 PHE 64 1HE PHE 64 -1.624 8.087 1.746 462 HE2 PHE 64 2HE PHE 64 -0.747 3.913 2.299 463 HZ PHE 64 HZ PHE 64 -2.058 5.733 1.189 464 H LEU 65 H LEU 65 2.929 9.774 4.830 465 HA LEU 65 HA LEU 65 5.391 10.159 6.166 466 HB2 LEU 65 1HB LEU 65 3.748 11.870 5.144 467 HB3 LEU 65 2HB LEU 65 2.828 11.709 6.647 468 HG LEU 65 HG LEU 65 4.968 12.406 7.879 469 HD11 LEU 65 1HD1 LEU 65 6.603 12.012 6.062 470 HD12 LEU 65 2HD1 LEU 65 6.603 13.711 6.543 471 HD13 LEU 65 3HD1 LEU 65 5.776 13.218 5.050 472 HD21 LEU 65 1HD2 LEU 65 4.607 14.801 7.388 473 HD22 LEU 65 2HD2 LEU 65 3.067 13.936 7.508 474 HD23 LEU 65 3HD2 LEU 65 3.714 14.372 5.910 475 H SER 66 H SER 66 2.268 9.114 7.472 476 HA SER 66 HA SER 66 3.535 8.514 10.093 477 HB2 SER 66 1HB SER 66 0.890 9.987 9.852 478 HB3 SER 66 2HB SER 66 1.734 9.528 11.334 479 HG SER 66 HG SER 66 2.053 11.737 10.793 480 H GLU 67 H GLU 67 2.397 6.992 11.375 481 HA GLU 67 HA GLU 67 1.324 4.775 9.961 482 HB2 GLU 67 1HB GLU 67 2.545 4.716 12.095 483 HB3 GLU 67 2HB GLU 67 1.167 5.480 12.914 484 HG2 GLU 67 1HG GLU 67 -0.242 3.511 12.347 485 HG3 GLU 67 2HG GLU 67 1.114 2.803 11.464 486 H GLU 68 H GLU 68 -0.390 7.444 11.610 487 HA GLU 68 HA GLU 68 -2.997 6.231 11.450 488 HB2 GLU 68 1HB GLU 68 -3.859 8.415 12.028 489 HB3 GLU 68 2HB GLU 68 -2.466 8.014 13.030 490 HG2 GLU 68 1HG GLU 68 -1.029 9.466 11.570 491 HG3 GLU 68 2HG GLU 68 -2.459 9.901 10.631 492 H ASP 69 H ASP 69 -1.080 7.854 9.033 493 HA ASP 69 HA ASP 69 -3.340 8.242 7.167 494 HB2 ASP 69 1HB ASP 69 -0.334 8.565 6.892 495 HB3 ASP 69 2HB ASP 69 -1.472 8.866 5.595 496 H ALA 70 H ALA 70 -0.783 5.852 7.828 497 HA ALA 70 HA ALA 70 -1.304 4.214 5.494 498 HB1 ALA 70 1HB ALA 70 0.824 4.163 6.759 499 HB2 ALA 70 2HB ALA 70 -0.022 3.562 8.198 500 HB3 ALA 70 3HB ALA 70 0.068 2.559 6.749 501 H ASP 71 H ASP 71 -2.426 4.090 8.914 502 HA ASP 71 HA ASP 71 -4.180 1.879 8.725 503 HB2 ASP 71 1HB ASP 71 -3.475 3.004 10.808 504 HB3 ASP 71 2HB ASP 71 -4.430 4.422 10.373 505 H TYR 72 H TYR 72 -4.710 5.243 7.692 506 HA TYR 72 HA TYR 72 -7.534 4.874 7.109 507 HB2 TYR 72 1HB TYR 72 -6.313 7.062 7.608 508 HB3 TYR 72 2HB TYR 72 -5.703 7.000 5.960 509 HD1 TYR 72 1HD TYR 72 -7.433 6.926 4.036 510 HD2 TYR 72 2HD TYR 72 -8.500 7.846 8.110 511 HE1 TYR 72 1HE TYR 72 -9.508 8.026 3.234 512 HE2 TYR 72 2HE TYR 72 -10.608 8.909 7.309 513 HH TYR 72 HH TYR 72 -11.440 9.117 3.829 514 H ALA 73 H ALA 73 -4.513 4.506 5.165 515 HA ALA 73 HA ALA 73 -5.937 4.091 2.663 516 HB1 ALA 73 1HB ALA 73 -3.588 4.828 2.800 517 HB2 ALA 73 2HB ALA 73 -3.129 3.271 3.522 518 HB3 ALA 73 3HB ALA 73 -3.763 3.333 1.861 519 H ILE 74 H ILE 74 -4.827 1.937 5.281 520 HA ILE 74 HA ILE 74 -5.696 -0.538 4.094 521 HB ILE 74 HB ILE 74 -5.408 0.285 7.014 522 HG12 ILE 74 1HG1 ILE 74 -3.502 -1.375 5.319 523 HG13 ILE 74 2HG1 ILE 74 -3.349 0.374 5.455 524 HG21 ILE 74 1HG2 ILE 74 -5.229 -2.228 7.405 525 HG22 ILE 74 2HG2 ILE 74 -6.830 -1.682 6.934 526 HG23 ILE 74 3HG2 ILE 74 -5.782 -2.456 5.729 527 HD11 ILE 74 1HD1 ILE 74 -1.823 -0.699 6.961 528 HD12 ILE 74 2HD1 ILE 74 -3.032 0.199 7.884 529 HD13 ILE 74 3HD1 ILE 74 -3.130 -1.575 7.774 530 H LYS 75 H LYS 75 -7.473 2.021 5.779 531 HA LYS 75 HA LYS 75 -9.965 0.546 5.993 532 HB2 LYS 75 1HB LYS 75 -9.369 2.428 7.459 533 HB3 LYS 75 2HB LYS 75 -9.440 3.545 6.096 534 HG2 LYS 75 1HG LYS 75 -11.820 3.034 5.749 535 HG3 LYS 75 2HG LYS 75 -11.782 1.910 7.106 536 HD2 LYS 75 1HD LYS 75 -11.257 4.918 7.194 537 HD3 LYS 75 2HD LYS 75 -12.748 4.136 7.698 538 HE2 LYS 75 1HE LYS 75 -10.018 3.742 9.017 539 HE3 LYS 75 2HE LYS 75 -11.275 4.836 9.586 540 HZ1 LYS 75 1HZ LYS 75 -11.368 2.744 10.782 541 HZ2 LYS 75 2HZ LYS 75 -11.565 1.883 9.412 542 HZ3 LYS 75 3HZ LYS 75 -12.734 2.912 9.911 543 H ILE 76 H ILE 76 -8.820 3.013 3.582 544 HA ILE 76 HA ILE 76 -11.308 2.616 2.104 545 HB ILE 76 HB ILE 76 -10.521 4.362 0.623 546 HG12 ILE 76 1HG1 ILE 76 -8.167 4.900 2.452 547 HG13 ILE 76 2HG1 ILE 76 -7.988 3.926 1.010 548 HG21 ILE 76 1HG2 ILE 76 -10.284 5.117 3.573 549 HG22 ILE 76 2HG2 ILE 76 -10.830 6.160 2.244 550 HG23 ILE 76 3HG2 ILE 76 -11.820 4.784 2.738 551 HD11 ILE 76 1HD1 ILE 76 -8.862 6.813 1.181 552 HD12 ILE 76 2HD1 ILE 76 -7.406 6.148 0.416 553 HD13 ILE 76 3HD1 ILE 76 -8.986 5.843 -0.312 554 H MET 77 H MET 77 -7.906 1.678 1.439 555 HA MET 77 HA MET 77 -8.638 0.971 -1.321 556 HB2 MET 77 1HB MET 77 -6.032 1.121 0.126 557 HB3 MET 77 2HB MET 77 -6.154 0.484 -1.510 558 HG2 MET 77 1HG MET 77 -7.233 3.217 -0.790 559 HG3 MET 77 2HG MET 77 -5.560 2.967 -1.222 560 HE1 MET 77 1HE MET 77 -6.784 5.005 -2.551 561 HE2 MET 77 2HE MET 77 -5.474 4.422 -3.619 562 HE3 MET 77 3HE MET 77 -7.098 4.747 -4.273 563 H ASP 78 H ASP 78 -9.129 -0.677 1.354 564 HA ASP 78 HA ASP 78 -8.171 -3.285 0.353 565 HB2 ASP 78 1HB ASP 78 -7.887 -2.701 2.747 566 HB3 ASP 78 2HB ASP 78 -9.641 -2.652 2.939 567 H MET 79 H MET 79 -9.405 -4.872 -0.493 568 HA MET 79 HA MET 79 -10.962 -5.770 -1.753 569 HB2 MET 79 1HB MET 79 -13.123 -4.525 -0.036 570 HB3 MET 79 2HB MET 79 -13.238 -5.925 -1.101 571 HG2 MET 79 1HG MET 79 -11.273 -6.871 0.406 572 HG3 MET 79 2HG MET 79 -11.846 -5.662 1.555 573 HE1 MET 79 1HE MET 79 -12.264 -9.007 -0.152 574 HE2 MET 79 2HE MET 79 -13.951 -9.505 0.133 575 HE3 MET 79 3HE MET 79 -13.586 -8.195 -1.014 576 H ILE 80 H ILE 80 -10.188 -2.776 -2.171 577 HA ILE 80 HA ILE 80 -12.174 -1.900 -4.136 578 HB ILE 80 HB ILE 80 -9.558 -0.926 -3.072 579 HG12 ILE 80 1HG1 ILE 80 -12.280 0.261 -3.702 580 HG13 ILE 80 2HG1 ILE 80 -11.578 -0.093 -2.125 581 HG21 ILE 80 1HG2 ILE 80 -9.130 0.679 -4.781 582 HG22 ILE 80 2HG2 ILE 80 -8.998 -0.930 -5.442 583 HG23 ILE 80 3HG2 ILE 80 -10.461 0.042 -5.792 584 HD11 ILE 80 1HD1 ILE 80 -9.833 1.719 -2.655 585 HD12 ILE 80 2HD1 ILE 80 -10.837 2.144 -4.049 586 HD13 ILE 80 3HD1 ILE 80 -11.497 2.274 -2.411 587 H LYS 81 H LYS 81 -11.893 -1.902 -6.394 588 HA LYS 81 HA LYS 81 -10.331 -4.242 -7.408 589 HB2 LYS 81 1HB LYS 81 -12.940 -3.018 -8.347 590 HB3 LYS 81 2HB LYS 81 -12.084 -4.352 -9.141 591 HG2 LYS 81 1HG LYS 81 -12.266 -5.664 -6.975 592 HG3 LYS 81 2HG LYS 81 -13.278 -4.363 -6.337 593 HD2 LYS 81 1HD LYS 81 -14.807 -5.986 -7.078 594 HD3 LYS 81 2HD LYS 81 -14.821 -4.753 -8.347 595 HE2 LYS 81 1HE LYS 81 -13.140 -6.186 -9.617 596 HE3 LYS 81 2HE LYS 81 -13.336 -7.421 -8.373 597 HZ1 LYS 81 1HZ LYS 81 -15.528 -6.403 -10.103 598 HZ2 LYS 81 2HZ LYS 81 -15.697 -7.552 -8.953 599 HZ3 LYS 81 3HZ LYS 81 -14.785 -7.845 -10.275 600 H LEU 82 H LEU 82 -8.491 -2.734 -7.488 601 HA LEU 82 HA LEU 82 -8.310 -0.625 -9.416 602 HB2 LEU 82 1HB LEU 82 -6.713 -1.065 -7.539 603 HB3 LEU 82 2HB LEU 82 -6.128 -2.500 -8.384 604 HG LEU 82 HG LEU 82 -5.197 -1.147 -10.176 605 HD11 LEU 82 1HD1 LEU 82 -6.748 0.701 -10.397 606 HD12 LEU 82 2HD1 LEU 82 -5.187 1.377 -9.946 607 HD13 LEU 82 3HD1 LEU 82 -6.457 1.213 -8.718 608 HD21 LEU 82 1HD2 LEU 82 -4.536 0.034 -7.440 609 HD22 LEU 82 2HD2 LEU 82 -3.492 0.064 -8.874 610 HD23 LEU 82 3HD2 LEU 82 -3.879 -1.479 -8.096 611 H TYR 83 H TYR 83 -8.146 -0.676 -11.666 612 HA TYR 83 HA TYR 83 -8.836 -1.610 -13.629 613 HB2 TYR 83 1HB TYR 83 -6.375 -3.289 -13.094 614 HB3 TYR 83 2HB TYR 83 -7.123 -3.062 -14.665 615 HD1 TYR 83 1HD TYR 83 -4.544 -1.898 -12.599 616 HD2 TYR 83 2HD TYR 83 -7.521 -0.520 -15.400 617 HE1 TYR 83 1HE TYR 83 -3.128 0.073 -13.135 618 HE2 TYR 83 2HE TYR 83 -6.106 1.465 -15.919 619 HH TYR 83 HH TYR 83 -2.897 1.966 -14.418 620 H GLY 84 H GLY 84 -10.374 -2.918 -11.484 621 HA2 GLY 84 1HA GLY 84 -12.154 -4.363 -11.643 622 HA3 GLY 84 2HA GLY 84 -11.546 -4.967 -13.177 623 H LYS 85 H LYS 85 -9.405 -5.204 -10.409 624 HA LYS 85 HA LYS 85 -9.978 -8.056 -9.942 625 HB2 LYS 85 1HB LYS 85 -7.304 -6.781 -10.612 626 HB3 LYS 85 2HB LYS 85 -7.449 -8.351 -9.806 627 HG2 LYS 85 1HG LYS 85 -8.660 -9.305 -11.683 628 HG3 LYS 85 2HG LYS 85 -8.757 -7.730 -12.484 629 HD2 LYS 85 1HD LYS 85 -6.273 -7.664 -12.636 630 HD3 LYS 85 2HD LYS 85 -6.197 -9.291 -11.925 631 HE2 LYS 85 1HE LYS 85 -7.482 -10.208 -13.810 632 HE3 LYS 85 2HE LYS 85 -7.737 -8.583 -14.463 633 HZ1 LYS 85 1HZ LYS 85 -5.918 -9.667 -15.617 634 HZ2 LYS 85 2HZ LYS 85 -5.094 -9.911 -14.226 635 HZ3 LYS 85 3HZ LYS 85 -5.337 -8.384 -14.777 636 HA PRO 86 HA PRO 86 -10.113 -6.002 -6.024 637 HB2 PRO 86 1HB PRO 86 -10.620 -8.134 -4.348 638 HB3 PRO 86 2HB PRO 86 -11.815 -7.367 -5.437 639 HG2 PRO 86 1HG PRO 86 -10.176 -9.860 -5.920 640 HG3 PRO 86 2HG PRO 86 -11.921 -9.596 -6.235 641 HD2 PRO 86 1HD PRO 86 -10.051 -9.406 -8.209 642 HD3 PRO 86 2HD PRO 86 -11.442 -8.277 -8.187 643 H ILE 87 H ILE 87 -8.586 -5.174 -4.799 644 HA ILE 87 HA ILE 87 -6.108 -6.698 -4.218 645 HB ILE 87 HB ILE 87 -5.131 -4.520 -3.576 646 HG12 ILE 87 1HG1 ILE 87 -7.420 -3.145 -4.999 647 HG13 ILE 87 2HG1 ILE 87 -7.445 -3.359 -3.246 648 HG21 ILE 87 1HG2 ILE 87 -4.833 -3.765 -5.933 649 HG22 ILE 87 2HG2 ILE 87 -4.711 -5.516 -5.744 650 HG23 ILE 87 3HG2 ILE 87 -6.186 -4.796 -6.424 651 HD11 ILE 87 1HD1 ILE 87 -6.596 -1.146 -3.872 652 HD12 ILE 87 2HD1 ILE 87 -5.344 -2.091 -3.046 653 HD13 ILE 87 3HD1 ILE 87 -5.286 -1.876 -4.812 654 H ARG 88 H ARG 88 -5.180 -6.792 -2.207 655 HA ARG 88 HA ARG 88 -6.899 -6.098 0.145 656 HB2 ARG 88 1HB ARG 88 -5.131 -8.523 -0.292 657 HB3 ARG 88 2HB ARG 88 -5.539 -7.961 1.324 658 HG2 ARG 88 1HG ARG 88 -7.588 -8.802 -0.772 659 HG3 ARG 88 2HG ARG 88 -7.000 -9.783 0.577 660 HD2 ARG 88 1HD ARG 88 -7.792 -7.865 2.113 661 HD3 ARG 88 2HD ARG 88 -8.688 -7.261 0.703 662 HE ARG 88 HE ARG 88 -9.371 -9.963 0.945 663 HH11 ARG 88 1HH1 ARG 88 -11.121 -7.843 3.836 664 HH12 ARG 88 2HH1 ARG 88 -9.847 -7.064 2.955 665 HH21 ARG 88 1HH2 ARG 88 -11.038 -10.807 2.130 666 HH22 ARG 88 2HH2 ARG 88 -11.800 -9.856 3.368 667 H VAL 89 H VAL 89 -6.037 -5.056 1.815 668 HA VAL 89 HA VAL 89 -3.239 -4.065 1.525 669 HB VAL 89 HB VAL 89 -5.628 -2.325 2.218 670 HG11 VAL 89 1HG1 VAL 89 -4.076 -0.456 1.874 671 HG12 VAL 89 2HG1 VAL 89 -3.460 -1.518 3.137 672 HG13 VAL 89 3HG1 VAL 89 -2.752 -1.587 1.518 673 HG21 VAL 89 1HG2 VAL 89 -5.205 -1.278 -0.031 674 HG22 VAL 89 2HG2 VAL 89 -4.058 -2.581 -0.388 675 HG23 VAL 89 3HG2 VAL 89 -5.782 -2.938 -0.164 676 H ASN 90 H ASN 90 -2.058 -3.876 3.339 677 HA ASN 90 HA ASN 90 -3.243 -3.721 6.003 678 HB2 ASN 90 1HB ASN 90 -2.157 -5.797 6.858 679 HB3 ASN 90 2HB ASN 90 -3.439 -6.093 5.694 680 HD21 ASN 90 1HD2 ASN 90 0.207 -5.997 5.935 681 HD22 ASN 90 2HD2 ASN 90 0.363 -7.206 4.691 682 H LYS 91 H LYS 91 -1.379 -3.826 7.725 683 HA LYS 91 HA LYS 91 0.641 -1.857 7.226 684 HB2 LYS 91 1HB LYS 91 0.791 -4.131 9.246 685 HB3 LYS 91 2HB LYS 91 1.621 -2.582 9.323 686 HG2 LYS 91 1HG LYS 91 -1.398 -2.928 9.500 687 HG3 LYS 91 2HG LYS 91 -0.337 -2.881 10.886 688 HD2 LYS 91 1HD LYS 91 -0.541 -0.614 8.859 689 HD3 LYS 91 2HD LYS 91 -1.543 -0.721 10.289 690 HE2 LYS 91 1HE LYS 91 1.472 -0.374 10.162 691 HE3 LYS 91 2HE LYS 91 0.278 0.816 10.656 692 HZ1 LYS 91 1HZ LYS 91 1.417 -1.363 12.183 693 HZ2 LYS 91 2HZ LYS 91 -0.205 -1.102 12.443 694 HZ3 LYS 91 3HZ LYS 91 0.888 0.088 12.689 695 H ALA 92 H ALA 92 2.791 -2.063 6.398 696 HA ALA 92 HA ALA 92 3.467 -4.514 4.993 697 HB1 ALA 92 1HB ALA 92 5.186 -2.081 5.599 698 HB2 ALA 92 2HB ALA 92 5.518 -3.336 4.391 699 HB3 ALA 92 3HB ALA 92 4.113 -2.271 4.192 700 H SER 93 H SER 93 4.002 -3.455 8.243 701 HA SER 93 HA SER 93 6.111 -5.248 9.020 702 HB2 SER 93 1HB SER 93 5.276 -4.713 11.305 703 HB3 SER 93 2HB SER 93 5.513 -3.266 10.309 704 HG SER 93 HG SER 93 3.512 -3.094 11.300 705 H ALA 94 H ALA 94 2.914 -5.966 8.040 706 HA ALA 94 HA ALA 94 2.876 -8.553 9.531 707 HB1 ALA 94 1HB ALA 94 1.257 -6.910 10.439 708 HB2 ALA 94 2HB ALA 94 0.525 -6.747 8.825 709 HB3 ALA 94 3HB ALA 94 0.442 -8.295 9.691 710 H HIS 95 H HIS 95 1.632 -10.255 8.532 711 HA HIS 95 HA HIS 95 1.974 -10.368 5.581 712 HB2 HIS 95 1HB HIS 95 1.418 -12.538 7.631 713 HB3 HIS 95 2HB HIS 95 1.678 -12.797 5.908 714 HD2 HIS 95 2HD HIS 95 3.577 -12.078 9.141 715 HE1 HIS 95 1HE HIS 95 6.537 -12.430 6.088 716 HE2 HIS 95 2HE HIS 95 6.153 -12.244 8.599 717 H ASN 96 H ASN 96 -0.542 -9.659 7.696 718 HA ASN 96 HA ASN 96 -2.623 -10.040 5.664 719 HB2 ASN 96 1HB ASN 96 -4.079 -11.351 7.178 720 HB3 ASN 96 2HB ASN 96 -2.606 -12.224 6.800 721 HD21 ASN 96 1HD2 ASN 96 -4.345 -10.467 9.408 722 HD22 ASN 96 2HD2 ASN 96 -3.330 -11.143 10.672 723 H LYS 97 H LYS 97 -4.700 -9.083 6.361 724 HA LYS 97 HA LYS 97 -4.412 -6.532 7.751 725 HB2 LYS 97 1HB LYS 97 -5.916 -7.096 5.742 726 HB3 LYS 97 2HB LYS 97 -6.977 -7.923 6.888 727 HG2 LYS 97 1HG LYS 97 -7.207 -5.729 8.140 728 HG3 LYS 97 2HG LYS 97 -6.202 -4.966 6.889 729 HD2 LYS 97 1HD LYS 97 -7.889 -5.723 5.172 730 HD3 LYS 97 2HD LYS 97 -8.891 -6.354 6.495 731 HE2 LYS 97 1HE LYS 97 -8.856 -3.985 7.479 732 HE3 LYS 97 2HE LYS 97 -8.096 -3.461 5.967 733 HZ1 LYS 97 1HZ LYS 97 -10.069 -4.450 4.807 734 HZ2 LYS 97 2HZ LYS 97 -10.450 -3.161 5.755 735 HZ3 LYS 97 3HZ LYS 97 -10.787 -4.681 6.257 736 H ASN 98 H ASN 98 -5.368 -5.898 9.705 737 HA ASN 98 HA ASN 98 -5.446 -7.939 11.779 738 HB2 ASN 98 1HB ASN 98 -4.439 -5.704 12.143 739 HB3 ASN 98 2HB ASN 98 -6.013 -4.948 11.868 740 HD21 ASN 98 1HD2 ASN 98 -6.195 -4.034 13.978 741 HD22 ASN 98 2HD2 ASN 98 -6.501 -5.090 15.361 742 H LEU 99 H LEU 99 -7.148 -8.500 13.103 743 HA LEU 99 HA LEU 99 -9.920 -7.706 12.392 744 HB2 LEU 99 1HB LEU 99 -9.227 -9.849 11.266 745 HB3 LEU 99 2HB LEU 99 -8.966 -10.562 12.852 746 HG LEU 99 HG LEU 99 -11.377 -10.432 13.342 747 HD11 LEU 99 1HD1 LEU 99 -12.031 -8.399 12.128 748 HD12 LEU 99 2HD1 LEU 99 -12.979 -9.768 11.549 749 HD13 LEU 99 3HD1 LEU 99 -11.619 -9.165 10.576 750 HD21 LEU 99 1HD2 LEU 99 -10.486 -12.386 12.138 751 HD22 LEU 99 2HD2 LEU 99 -10.827 -11.590 10.586 752 HD23 LEU 99 3HD2 LEU 99 -12.159 -12.035 11.677 753 H SER 100 H SER 100 -7.645 -7.735 14.789 754 HA SER 100 HA SER 100 -9.555 -8.319 17.023 755 HB2 SER 100 1HB SER 100 -6.560 -8.796 16.870 756 HB3 SER 100 2HB SER 100 -7.589 -9.094 18.283 757 HG SER 100 HG SER 100 -7.246 -10.997 17.035 758 H GLY 101 H GLY 101 -9.147 -7.269 19.059 759 HA2 GLY 101 1HA GLY 101 -7.422 -4.950 19.289 760 HA3 GLY 101 2HA GLY 101 -9.116 -4.506 19.065 761 HA PRO 102 HA PRO 102 -8.119 -5.414 23.597 762 HB2 PRO 102 1HB PRO 102 -8.488 -2.943 24.692 763 HB3 PRO 102 2HB PRO 102 -6.961 -3.434 23.901 764 HG2 PRO 102 1HG PRO 102 -9.265 -1.875 22.674 765 HG3 PRO 102 2HG PRO 102 -7.519 -1.459 22.660 766 HD2 PRO 102 1HD PRO 102 -8.699 -2.733 20.567 767 HD3 PRO 102 2HD PRO 102 -7.034 -3.150 21.079 768 H SER 103 H SER 103 -9.564 -5.458 25.424 769 HA SER 103 HA SER 103 -12.343 -5.851 24.695 770 HB2 SER 103 1HB SER 103 -12.554 -6.583 27.057 771 HB3 SER 103 2HB SER 103 -11.239 -7.388 26.185 772 HG SER 103 HG SER 103 -10.591 -6.666 28.278 773 H SER 104 H SER 104 -10.670 -3.095 25.864 774 HA SER 104 HA SER 104 -13.186 -1.606 26.206 775 HB2 SER 104 1HB SER 104 -12.545 -2.513 28.482 776 HB3 SER 104 2HB SER 104 -11.059 -1.548 28.381 777 HG SER 104 HG SER 104 -12.794 -0.467 29.482 778 H GLY 105 H GLY 105 -12.823 0.728 26.274 779 HA2 GLY 105 1HA GLY 105 -10.337 2.019 25.654 780 HA3 GLY 105 2HA GLY 105 -11.220 1.705 24.158 Start of MODEL 13 1 H1 GLY 1 1H GLY 1 26.162 16.599 11.334 2 H2 GLY 1 2H GLY 1 24.919 17.229 12.194 3 H3 GLY 1 3H GLY 1 26.165 18.188 11.734 4 HA2 GLY 1 1HA GLY 1 24.262 18.630 10.344 5 HA3 GLY 1 2HA GLY 1 25.592 17.924 9.409 6 H SER 2 H SER 2 24.251 17.028 7.819 7 HA SER 2 HA SER 2 21.850 15.650 8.232 8 HB2 SER 2 1HB SER 2 23.796 15.299 5.924 9 HB3 SER 2 2HB SER 2 22.053 14.965 5.908 10 HG SER 2 HG SER 2 22.540 17.024 5.013 11 H SER 3 H SER 3 24.996 14.374 8.828 12 HA SER 3 HA SER 3 24.406 11.549 8.530 13 HB2 SER 3 1HB SER 3 26.532 11.327 9.844 14 HB3 SER 3 2HB SER 3 26.675 12.315 8.381 15 HG SER 3 HG SER 3 27.676 13.292 10.225 16 H GLY 4 H GLY 4 23.469 13.869 10.918 17 HA2 GLY 4 1HA GLY 4 23.431 12.199 13.263 18 HA3 GLY 4 2HA GLY 4 22.538 13.697 13.026 19 H SER 5 H SER 5 21.627 11.343 14.383 20 HA SER 5 HA SER 5 19.092 10.810 12.954 21 HB2 SER 5 1HB SER 5 19.284 8.391 13.257 22 HB3 SER 5 2HB SER 5 20.601 8.984 12.237 23 HG SER 5 HG SER 5 21.060 7.463 14.110 24 H SER 6 H SER 6 17.490 9.707 14.327 25 HA SER 6 HA SER 6 17.433 10.705 17.052 26 HB2 SER 6 1HB SER 6 15.538 8.792 15.641 27 HB3 SER 6 2HB SER 6 15.221 9.687 17.139 28 HG SER 6 HG SER 6 14.329 10.739 15.301 29 H GLY 7 H GLY 7 18.843 7.889 15.773 30 HA2 GLY 7 1HA GLY 7 19.721 6.750 18.160 31 HA3 GLY 7 2HA GLY 7 18.198 5.936 17.782 32 HA PRO 8 HA PRO 8 21.677 3.902 15.387 33 HB2 PRO 8 1HB PRO 8 21.899 1.508 16.640 34 HB3 PRO 8 2HB PRO 8 22.554 3.008 17.350 35 HG2 PRO 8 1HG PRO 8 19.861 1.723 17.938 36 HG3 PRO 8 2HG PRO 8 21.126 2.212 19.112 37 HD2 PRO 8 1HD PRO 8 19.012 3.831 18.478 38 HD3 PRO 8 2HD PRO 8 20.635 4.495 18.834 39 H ILE 9 H ILE 9 19.212 4.329 14.366 40 HA ILE 9 HA ILE 9 17.977 1.742 13.596 41 HB ILE 9 HB ILE 9 16.108 3.190 12.745 42 HG12 ILE 9 1HG1 ILE 9 15.701 5.258 13.870 43 HG13 ILE 9 2HG1 ILE 9 17.271 5.268 14.652 44 HG21 ILE 9 1HG2 ILE 9 16.722 3.063 15.727 45 HG22 ILE 9 2HG2 ILE 9 15.115 3.249 14.993 46 HG23 ILE 9 3HG2 ILE 9 16.028 1.757 14.742 47 HD11 ILE 9 1HD1 ILE 9 17.082 6.838 12.716 48 HD12 ILE 9 2HD1 ILE 9 18.382 5.663 12.508 49 HD13 ILE 9 3HD1 ILE 9 16.838 5.454 11.634 50 H SER 10 H SER 10 17.251 1.346 11.461 51 HA SER 10 HA SER 10 19.379 1.898 9.535 52 HB2 SER 10 1HB SER 10 17.000 0.033 9.306 53 HB3 SER 10 2HB SER 10 18.447 0.052 8.277 54 HG SER 10 HG SER 10 18.580 -1.543 9.924 55 H GLU 11 H GLU 11 16.995 3.859 10.122 56 HA GLU 11 HA GLU 11 15.693 5.346 9.046 57 HB2 GLU 11 1HB GLU 11 18.108 5.787 8.274 58 HB3 GLU 11 2HB GLU 11 17.585 5.194 6.696 59 HG2 GLU 11 1HG GLU 11 15.802 6.981 6.682 60 HG3 GLU 11 2HG GLU 11 16.354 7.511 8.268 61 H ARG 12 H ARG 12 14.661 2.792 8.832 62 HA ARG 12 HA ARG 12 12.813 3.126 6.567 63 HB2 ARG 12 1HB ARG 12 13.053 0.911 5.679 64 HB3 ARG 12 2HB ARG 12 14.595 1.748 5.637 65 HG2 ARG 12 1HG ARG 12 15.018 0.475 7.955 66 HG3 ARG 12 2HG ARG 12 13.705 -0.562 7.387 67 HD2 ARG 12 1HD ARG 12 15.764 -1.557 6.699 68 HD3 ARG 12 2HD ARG 12 15.012 -0.892 5.236 69 HE ARG 12 HE ARG 12 16.769 1.050 6.454 70 HH11 ARG 12 1HH1 ARG 12 17.042 -1.834 4.478 71 HH12 ARG 12 2HH1 ARG 12 18.599 -1.348 3.863 72 HH21 ARG 12 1HH2 ARG 12 18.674 1.578 5.709 73 HH22 ARG 12 2HH2 ARG 12 19.516 0.579 4.542 74 H ASN 13 H ASN 13 10.918 1.739 6.704 75 HA ASN 13 HA ASN 13 10.171 0.826 9.426 76 HB2 ASN 13 1HB ASN 13 8.232 2.333 9.474 77 HB3 ASN 13 2HB ASN 13 9.721 3.255 9.388 78 HD21 ASN 13 1HD2 ASN 13 10.099 4.558 7.560 79 HD22 ASN 13 2HD2 ASN 13 8.995 4.676 6.203 80 H GLN 14 H GLN 14 8.088 -0.224 9.520 81 HA GLN 14 HA GLN 14 6.927 -1.178 6.948 82 HB2 GLN 14 1HB GLN 14 7.813 -2.927 9.274 83 HB3 GLN 14 2HB GLN 14 6.780 -3.470 7.942 84 HG2 GLN 14 1HG GLN 14 8.555 -2.956 6.315 85 HG3 GLN 14 2HG GLN 14 9.638 -2.510 7.643 86 HE21 GLN 14 1HE2 GLN 14 10.727 -4.383 6.154 87 HE22 GLN 14 2HE2 GLN 14 10.541 -5.980 6.869 88 H ASP 15 H ASP 15 6.234 0.500 9.646 89 HA ASP 15 HA ASP 15 3.455 -0.527 9.934 90 HB2 ASP 15 1HB ASP 15 3.397 0.693 12.005 91 HB3 ASP 15 2HB ASP 15 4.765 -0.414 11.990 92 H ALA 16 H ALA 16 5.339 2.431 9.222 93 HA ALA 16 HA ALA 16 2.927 3.843 8.282 94 HB1 ALA 16 1HB ALA 16 5.846 4.680 8.229 95 HB2 ALA 16 2HB ALA 16 4.439 5.705 7.884 96 HB3 ALA 16 3HB ALA 16 4.679 5.058 9.518 97 H THR 17 H THR 17 4.802 1.444 6.978 98 HA THR 17 HA THR 17 4.125 2.240 4.178 99 HB THR 17 HB THR 17 6.087 0.105 5.072 100 HG1 THR 17 1HG THR 17 6.881 2.190 5.379 101 HG21 THR 17 1HG2 THR 17 6.765 0.094 2.670 102 HG22 THR 17 2HG2 THR 17 5.438 1.198 2.289 103 HG23 THR 17 3HG2 THR 17 5.094 -0.446 2.873 104 H VAL 18 H VAL 18 2.560 1.172 3.161 105 HA VAL 18 HA VAL 18 1.296 -1.183 4.494 106 HB VAL 18 HB VAL 18 -0.718 -0.749 3.332 107 HG11 VAL 18 1HG1 VAL 18 -0.250 0.591 5.396 108 HG12 VAL 18 2HG1 VAL 18 0.286 1.933 4.358 109 HG13 VAL 18 3HG1 VAL 18 -1.390 1.373 4.281 110 HG21 VAL 18 1HG2 VAL 18 0.624 1.590 1.940 111 HG22 VAL 18 2HG2 VAL 18 0.081 0.090 1.154 112 HG23 VAL 18 3HG2 VAL 18 -1.099 1.189 1.874 113 H TYR 19 H TYR 19 0.745 -2.979 3.307 114 HA TYR 19 HA TYR 19 2.256 -3.538 0.790 115 HB2 TYR 19 1HB TYR 19 2.705 -5.168 2.473 116 HB3 TYR 19 2HB TYR 19 1.029 -5.223 2.984 117 HD1 TYR 19 1HD TYR 19 3.461 -6.512 0.542 118 HD2 TYR 19 2HD TYR 19 -0.696 -6.428 1.695 119 HE1 TYR 19 1HE TYR 19 3.027 -8.517 -0.864 120 HE2 TYR 19 2HE TYR 19 -1.132 -8.412 0.258 121 HH TYR 19 HH TYR 19 1.470 -10.021 -1.612 122 H VAL 20 H VAL 20 1.152 -4.096 -1.045 123 HA VAL 20 HA VAL 20 -1.840 -4.234 -1.031 124 HB VAL 20 HB VAL 20 -0.217 -2.817 -3.173 125 HG11 VAL 20 1HG1 VAL 20 -2.493 -2.124 -3.915 126 HG12 VAL 20 2HG1 VAL 20 -2.305 -3.891 -3.949 127 HG13 VAL 20 3HG1 VAL 20 -3.209 -3.121 -2.637 128 HG21 VAL 20 1HG2 VAL 20 -1.250 -0.733 -2.387 129 HG22 VAL 20 2HG2 VAL 20 -1.940 -1.587 -0.985 130 HG23 VAL 20 3HG2 VAL 20 -0.181 -1.407 -1.161 131 H GLY 21 H GLY 21 -2.302 -6.269 -1.608 132 HA2 GLY 21 1HA GLY 21 -0.589 -7.696 -3.618 133 HA3 GLY 21 2HA GLY 21 -1.568 -8.472 -2.388 134 H GLY 22 H GLY 22 -1.490 -8.713 -5.352 135 HA2 GLY 22 1HA GLY 22 -3.215 -9.709 -6.645 136 HA3 GLY 22 2HA GLY 22 -4.443 -8.819 -5.744 137 H LEU 23 H LEU 23 -1.515 -7.533 -7.351 138 HA LEU 23 HA LEU 23 -3.115 -5.372 -8.525 139 HB2 LEU 23 1HB LEU 23 -0.117 -5.895 -8.373 140 HB3 LEU 23 2HB LEU 23 -0.841 -4.459 -9.087 141 HG LEU 23 HG LEU 23 -1.087 -5.297 -6.157 142 HD11 LEU 23 1HD1 LEU 23 1.146 -4.479 -6.849 143 HD12 LEU 23 2HD1 LEU 23 0.338 -3.387 -5.711 144 HD13 LEU 23 3HD1 LEU 23 0.410 -2.982 -7.439 145 HD21 LEU 23 1HD2 LEU 23 -1.972 -2.851 -6.019 146 HD22 LEU 23 2HD2 LEU 23 -3.070 -4.106 -6.614 147 HD23 LEU 23 3HD2 LEU 23 -2.276 -2.998 -7.746 148 H ASP 24 H ASP 24 -3.261 -4.841 -10.644 149 HA ASP 24 HA ASP 24 -3.013 -7.039 -12.547 150 HB2 ASP 24 1HB ASP 24 -5.040 -5.615 -12.444 151 HB3 ASP 24 2HB ASP 24 -4.074 -4.196 -12.847 152 H GLU 25 H GLU 25 -1.975 -6.786 -14.693 153 HA GLU 25 HA GLU 25 0.721 -5.926 -14.563 154 HB2 GLU 25 1HB GLU 25 0.822 -6.458 -16.919 155 HB3 GLU 25 2HB GLU 25 -0.077 -7.691 -16.039 156 HG2 GLU 25 1HG GLU 25 -2.220 -6.699 -16.842 157 HG3 GLU 25 2HG GLU 25 -1.316 -5.463 -17.720 158 H LYS 26 H LYS 26 -2.104 -3.996 -15.372 159 HA LYS 26 HA LYS 26 -0.570 -1.818 -16.607 160 HB2 LYS 26 1HB LYS 26 -3.432 -2.014 -15.596 161 HB3 LYS 26 2HB LYS 26 -2.759 -0.605 -16.427 162 HG2 LYS 26 1HG LYS 26 -2.213 -1.999 -18.400 163 HG3 LYS 26 2HG LYS 26 -2.931 -3.409 -17.627 164 HD2 LYS 26 1HD LYS 26 -4.378 -0.833 -18.363 165 HD3 LYS 26 2HD LYS 26 -4.445 -2.340 -19.270 166 HE2 LYS 26 1HE LYS 26 -5.483 -1.906 -16.436 167 HE3 LYS 26 2HE LYS 26 -6.463 -1.981 -17.905 168 HZ1 LYS 26 1HZ LYS 26 -6.513 -4.120 -16.866 169 HZ2 LYS 26 2HZ LYS 26 -4.894 -4.193 -16.696 170 HZ3 LYS 26 3HZ LYS 26 -5.578 -4.299 -18.194 171 H VAL 27 H VAL 27 -0.934 -2.751 -13.346 172 HA VAL 27 HA VAL 27 -0.908 -0.079 -12.165 173 HB VAL 27 HB VAL 27 -0.319 -2.789 -10.915 174 HG11 VAL 27 1HG1 VAL 27 -0.842 -0.081 -9.625 175 HG12 VAL 27 2HG1 VAL 27 -0.846 -1.630 -8.780 176 HG13 VAL 27 3HG1 VAL 27 0.640 -1.045 -9.511 177 HG21 VAL 27 1HG2 VAL 27 -2.622 -2.591 -10.000 178 HG22 VAL 27 2HG2 VAL 27 -2.856 -1.087 -10.906 179 HG23 VAL 27 3HG2 VAL 27 -2.639 -2.630 -11.760 180 H SER 28 H SER 28 0.799 1.138 -11.474 181 HA SER 28 HA SER 28 3.499 -0.066 -11.281 182 HB2 SER 28 1HB SER 28 3.225 0.834 -13.619 183 HB3 SER 28 2HB SER 28 3.036 2.452 -12.916 184 HG SER 28 HG SER 28 5.228 1.884 -13.547 185 H GLU 29 H GLU 29 5.079 1.568 -10.323 186 HA GLU 29 HA GLU 29 4.135 2.391 -7.769 187 HB2 GLU 29 1HB GLU 29 6.652 2.899 -9.387 188 HB3 GLU 29 2HB GLU 29 6.433 3.733 -7.859 189 HG2 GLU 29 1HG GLU 29 6.634 1.811 -6.599 190 HG3 GLU 29 2HG GLU 29 5.942 0.797 -7.840 191 HA PRO 30 HA PRO 30 3.956 6.967 -9.274 192 HB2 PRO 30 1HB PRO 30 3.228 6.576 -12.174 193 HB3 PRO 30 2HB PRO 30 4.157 7.903 -11.409 194 HG2 PRO 30 1HG PRO 30 5.455 5.967 -12.777 195 HG3 PRO 30 2HG PRO 30 6.098 6.509 -11.188 196 HD2 PRO 30 1HD PRO 30 4.351 4.099 -11.779 197 HD3 PRO 30 2HD PRO 30 5.875 4.179 -10.851 198 H LEU 31 H LEU 31 1.890 4.395 -10.611 199 HA LEU 31 HA LEU 31 -0.598 5.903 -10.462 200 HB2 LEU 31 1HB LEU 31 -0.317 3.833 -11.884 201 HB3 LEU 31 2HB LEU 31 -0.150 2.887 -10.409 202 HG LEU 31 HG LEU 31 -2.492 3.728 -9.703 203 HD11 LEU 31 1HD1 LEU 31 -2.635 5.609 -11.293 204 HD12 LEU 31 2HD1 LEU 31 -3.919 4.427 -11.594 205 HD13 LEU 31 3HD1 LEU 31 -2.487 4.466 -12.655 206 HD21 LEU 31 1HD2 LEU 31 -2.083 2.010 -12.186 207 HD22 LEU 31 2HD2 LEU 31 -3.585 2.089 -11.247 208 HD23 LEU 31 3HD2 LEU 31 -2.115 1.469 -10.484 209 H LEU 32 H LEU 32 0.962 3.381 -8.420 210 HA LEU 32 HA LEU 32 -0.983 3.375 -6.378 211 HB2 LEU 32 1HB LEU 32 2.029 2.913 -6.069 212 HB3 LEU 32 2HB LEU 32 0.786 2.488 -4.896 213 HG LEU 32 HG LEU 32 1.264 1.234 -7.604 214 HD11 LEU 32 1HD1 LEU 32 1.543 -0.798 -6.277 215 HD12 LEU 32 2HD1 LEU 32 1.163 0.092 -4.785 216 HD13 LEU 32 3HD1 LEU 32 2.652 0.458 -5.694 217 HD21 LEU 32 1HD2 LEU 32 -1.130 1.349 -7.424 218 HD22 LEU 32 2HD2 LEU 32 -1.085 0.907 -5.696 219 HD23 LEU 32 3HD2 LEU 32 -0.665 -0.289 -6.935 220 H TRP 33 H TRP 33 1.904 5.454 -6.650 221 HA TRP 33 HA TRP 33 1.685 6.742 -4.152 222 HB2 TRP 33 1HB TRP 33 3.540 6.812 -5.893 223 HB3 TRP 33 2HB TRP 33 2.619 8.013 -6.762 224 HD1 TRP 33 HD TRP 33 1.820 9.878 -4.221 225 HE1 TRP 33 1HE TRP 33 3.655 11.237 -3.035 226 HE3 TRP 33 3HE TRP 33 5.868 7.240 -5.795 227 HZ2 TRP 33 2HZ TRP 33 6.548 11.225 -2.875 228 HZ3 TRP 33 3HZ TRP 33 8.185 7.930 -5.133 229 HH2 TRP 33 HH TRP 33 8.523 9.921 -3.681 230 H GLU 34 H GLU 34 0.562 8.070 -7.283 231 HA GLU 34 HA GLU 34 -0.924 10.215 -6.125 232 HB2 GLU 34 1HB GLU 34 -1.161 8.879 -8.858 233 HB3 GLU 34 2HB GLU 34 -1.972 10.386 -8.394 234 HG2 GLU 34 1HG GLU 34 0.309 11.311 -7.781 235 HG3 GLU 34 2HG GLU 34 1.031 9.912 -8.567 236 H LEU 35 H LEU 35 -1.961 6.914 -6.840 237 HA LEU 35 HA LEU 35 -4.781 7.384 -6.453 238 HB2 LEU 35 1HB LEU 35 -3.559 5.384 -7.603 239 HB3 LEU 35 2HB LEU 35 -3.331 4.772 -5.957 240 HG LEU 35 HG LEU 35 -5.906 5.022 -5.771 241 HD11 LEU 35 1HD1 LEU 35 -5.630 4.981 -8.793 242 HD12 LEU 35 2HD1 LEU 35 -6.275 6.325 -7.822 243 HD13 LEU 35 3HD1 LEU 35 -7.139 4.782 -7.874 244 HD21 LEU 35 1HD2 LEU 35 -4.748 2.877 -5.806 245 HD22 LEU 35 2HD2 LEU 35 -4.688 2.920 -7.587 246 HD23 LEU 35 3HD2 LEU 35 -6.248 2.796 -6.732 247 H PHE 36 H PHE 36 -2.135 6.572 -4.194 248 HA PHE 36 HA PHE 36 -3.998 6.131 -1.948 249 HB2 PHE 36 1HB PHE 36 -1.063 5.717 -2.433 250 HB3 PHE 36 2HB PHE 36 -1.646 5.813 -0.815 251 HD1 PHE 36 1HD PHE 36 -2.167 3.815 0.272 252 HD2 PHE 36 2HD PHE 36 -2.589 3.997 -4.004 253 HE1 PHE 36 1HE PHE 36 -2.869 1.437 0.237 254 HE2 PHE 36 2HE PHE 36 -3.213 1.602 -4.049 255 HZ PHE 36 HZ PHE 36 -3.413 0.330 -1.921 256 H LEU 37 H LEU 37 -2.328 8.858 -3.209 257 HA LEU 37 HA LEU 37 -2.044 10.507 -0.948 258 HB2 LEU 37 1HB LEU 37 -2.959 11.046 -3.791 259 HB3 LEU 37 2HB LEU 37 -2.793 12.349 -2.619 260 HG LEU 37 HG LEU 37 -0.536 10.583 -3.598 261 HD11 LEU 37 1HD1 LEU 37 -1.087 13.544 -3.994 262 HD12 LEU 37 2HD1 LEU 37 -1.378 12.288 -5.211 263 HD13 LEU 37 3HD1 LEU 37 0.275 12.615 -4.659 264 HD21 LEU 37 1HD2 LEU 37 -0.101 11.195 -1.295 265 HD22 LEU 37 2HD2 LEU 37 -0.528 12.888 -1.620 266 HD23 LEU 37 3HD2 LEU 37 0.926 12.164 -2.357 267 H GLN 38 H GLN 38 -4.989 9.277 -2.228 268 HA GLN 38 HA GLN 38 -6.887 11.139 -1.147 269 HB2 GLN 38 1HB GLN 38 -7.219 8.136 -1.581 270 HB3 GLN 38 2HB GLN 38 -8.512 9.337 -1.436 271 HG2 GLN 38 1HG GLN 38 -7.642 10.461 -3.514 272 HG3 GLN 38 2HG GLN 38 -6.427 9.172 -3.627 273 HE21 GLN 38 1HE2 GLN 38 -7.060 7.087 -4.328 274 HE22 GLN 38 2HE2 GLN 38 -8.677 6.781 -4.986 275 H ALA 39 H ALA 39 -5.142 8.423 0.311 276 HA ALA 39 HA ALA 39 -6.734 8.437 2.781 277 HB1 ALA 39 1HB ALA 39 -5.723 6.366 1.940 278 HB2 ALA 39 2HB ALA 39 -4.105 7.080 2.046 279 HB3 ALA 39 3HB ALA 39 -5.039 6.789 3.524 280 H GLY 40 H GLY 40 -3.462 9.514 1.814 281 HA2 GLY 40 1HA GLY 40 -3.381 11.788 3.543 282 HA3 GLY 40 2HA GLY 40 -2.556 10.431 4.318 283 HA PRO 41 HA PRO 41 0.376 12.731 1.457 284 HB2 PRO 41 1HB PRO 41 2.371 13.257 3.270 285 HB3 PRO 41 2HB PRO 41 0.933 14.297 3.037 286 HG2 PRO 41 1HG PRO 41 1.326 12.124 5.118 287 HG3 PRO 41 2HG PRO 41 0.780 13.809 5.378 288 HD2 PRO 41 1HD PRO 41 -0.954 11.726 5.175 289 HD3 PRO 41 2HD PRO 41 -1.368 13.298 4.430 290 H VAL 42 H VAL 42 1.073 11.151 0.190 291 HA VAL 42 HA VAL 42 2.580 8.815 1.168 292 HB VAL 42 HB VAL 42 1.828 9.629 -1.657 293 HG11 VAL 42 1HG1 VAL 42 2.441 7.266 -2.208 294 HG12 VAL 42 2HG1 VAL 42 3.835 8.215 -1.715 295 HG13 VAL 42 3HG1 VAL 42 3.096 7.072 -0.575 296 HG21 VAL 42 1HG2 VAL 42 0.675 7.471 0.155 297 HG22 VAL 42 2HG2 VAL 42 -0.142 8.983 -0.291 298 HG23 VAL 42 3HG2 VAL 42 0.215 7.783 -1.533 299 H VAL 43 H VAL 43 4.665 8.581 1.117 300 HA VAL 43 HA VAL 43 6.408 10.899 0.397 301 HB VAL 43 HB VAL 43 7.039 8.592 2.274 302 HG11 VAL 43 1HG1 VAL 43 8.982 9.960 1.639 303 HG12 VAL 43 2HG1 VAL 43 8.107 11.443 2.106 304 HG13 VAL 43 3HG1 VAL 43 8.554 10.244 3.334 305 HG21 VAL 43 1HG2 VAL 43 5.718 11.237 3.001 306 HG22 VAL 43 2HG2 VAL 43 5.016 9.608 3.147 307 HG23 VAL 43 3HG2 VAL 43 6.396 10.050 4.146 308 H ASN 44 H ASN 44 6.010 7.430 -0.065 309 HA ASN 44 HA ASN 44 7.945 7.264 -2.242 310 HB2 ASN 44 1HB ASN 44 9.496 7.221 -0.395 311 HB3 ASN 44 2HB ASN 44 8.485 6.144 0.534 312 HD21 ASN 44 1HD2 ASN 44 9.557 4.263 0.771 313 HD22 ASN 44 2HD2 ASN 44 10.340 3.396 -0.563 314 H THR 45 H THR 45 8.002 5.042 -3.146 315 HA THR 45 HA THR 45 5.796 3.189 -2.443 316 HB THR 45 HB THR 45 5.420 2.886 -4.980 317 HG1 THR 45 1HG THR 45 7.135 4.314 -5.599 318 HG21 THR 45 1HG2 THR 45 3.661 4.467 -5.104 319 HG22 THR 45 2HG2 THR 45 4.352 5.452 -3.783 320 HG23 THR 45 3HG2 THR 45 3.718 3.817 -3.465 321 H HIS 46 H HIS 46 6.097 1.036 -3.283 322 HA HIS 46 HA HIS 46 8.634 0.464 -4.701 323 HB2 HIS 46 1HB HIS 46 9.081 0.213 -2.208 324 HB3 HIS 46 2HB HIS 46 7.840 -1.013 -2.168 325 HD2 HIS 46 2HD HIS 46 9.531 -2.935 -1.452 326 HE1 HIS 46 1HE HIS 46 11.790 -3.082 -5.069 327 HE2 HIS 46 2HE HIS 46 11.349 -4.241 -2.843 328 H MET 47 H MET 47 8.494 -1.273 -6.067 329 HA MET 47 HA MET 47 6.218 -3.174 -5.902 330 HB2 MET 47 1HB MET 47 6.821 -1.440 -8.305 331 HB3 MET 47 2HB MET 47 6.078 -3.020 -8.483 332 HG2 MET 47 1HG MET 47 4.854 -1.030 -6.569 333 HG3 MET 47 2HG MET 47 4.576 -0.865 -8.285 334 HE1 MET 47 1HE MET 47 2.734 -1.852 -9.519 335 HE2 MET 47 2HE MET 47 3.943 -3.125 -9.766 336 HE3 MET 47 3HE MET 47 2.268 -3.565 -9.345 337 HA PRO 48 HA PRO 48 10.210 -5.354 -6.370 338 HB2 PRO 48 1HB PRO 48 8.283 -7.616 -5.780 339 HB3 PRO 48 2HB PRO 48 9.974 -7.400 -5.217 340 HG2 PRO 48 1HG PRO 48 7.948 -6.769 -3.568 341 HG3 PRO 48 2HG PRO 48 9.315 -5.628 -3.730 342 HD2 PRO 48 1HD PRO 48 6.603 -5.514 -5.078 343 HD3 PRO 48 2HD PRO 48 7.512 -4.200 -4.270 344 H LYS 49 H LYS 49 11.077 -6.145 -8.205 345 HA LYS 49 HA LYS 49 9.276 -6.857 -10.477 346 HB2 LYS 49 1HB LYS 49 12.155 -5.924 -10.639 347 HB3 LYS 49 2HB LYS 49 11.026 -6.147 -11.967 348 HG2 LYS 49 1HG LYS 49 10.940 -3.998 -9.822 349 HG3 LYS 49 2HG LYS 49 11.334 -3.800 -11.529 350 HD2 LYS 49 1HD LYS 49 8.972 -4.547 -12.087 351 HD3 LYS 49 2HD LYS 49 8.605 -4.487 -10.361 352 HE2 LYS 49 1HE LYS 49 9.419 -2.166 -12.167 353 HE3 LYS 49 2HE LYS 49 7.847 -2.445 -11.417 354 HZ1 LYS 49 1HZ LYS 49 9.105 -2.269 -9.226 355 HZ2 LYS 49 2HZ LYS 49 8.905 -0.860 -10.033 356 HZ3 LYS 49 3HZ LYS 49 10.350 -1.634 -10.070 357 H ASP 50 H ASP 50 9.541 -8.617 -11.677 358 HA ASP 50 HA ASP 50 10.775 -10.959 -10.534 359 HB2 ASP 50 1HB ASP 50 8.668 -10.973 -11.843 360 HB3 ASP 50 2HB ASP 50 9.550 -10.431 -13.267 361 H ARG 51 H ARG 51 12.624 -12.065 -11.110 362 HA ARG 51 HA ARG 51 14.700 -10.474 -12.408 363 HB2 ARG 51 1HB ARG 51 16.265 -11.990 -11.435 364 HB3 ARG 51 2HB ARG 51 15.052 -11.552 -10.235 365 HG2 ARG 51 1HG ARG 51 13.894 -13.747 -10.640 366 HG3 ARG 51 2HG ARG 51 15.166 -14.173 -11.800 367 HD2 ARG 51 1HD ARG 51 16.869 -13.956 -9.987 368 HD3 ARG 51 2HD ARG 51 15.586 -13.550 -8.850 369 HE ARG 51 HE ARG 51 14.905 -15.768 -8.757 370 HH11 ARG 51 1HH1 ARG 51 17.278 -15.536 -11.331 371 HH12 ARG 51 2HH1 ARG 51 17.417 -17.267 -11.474 372 HH21 ARG 51 1HH2 ARG 51 15.135 -17.958 -8.997 373 HH22 ARG 51 2HH2 ARG 51 16.234 -18.594 -10.185 374 H VAL 52 H VAL 52 12.558 -12.247 -14.001 375 HA VAL 52 HA VAL 52 14.532 -13.220 -16.046 376 HB VAL 52 HB VAL 52 11.996 -14.694 -15.225 377 HG11 VAL 52 1HG1 VAL 52 14.292 -15.473 -17.076 378 HG12 VAL 52 2HG1 VAL 52 12.945 -16.530 -16.599 379 HG13 VAL 52 3HG1 VAL 52 12.626 -15.095 -17.570 380 HG21 VAL 52 1HG2 VAL 52 13.579 -14.960 -13.403 381 HG22 VAL 52 2HG2 VAL 52 13.540 -16.450 -14.335 382 HG23 VAL 52 3HG2 VAL 52 14.900 -15.324 -14.543 383 H THR 53 H THR 53 11.256 -12.078 -15.331 384 HA THR 53 HA THR 53 10.743 -11.504 -18.209 385 HB THR 53 HB THR 53 8.360 -11.352 -17.534 386 HG1 THR 53 1HG THR 53 9.317 -12.304 -15.044 387 HG21 THR 53 1HG2 THR 53 7.957 -13.727 -17.156 388 HG22 THR 53 2HG2 THR 53 9.645 -13.982 -16.665 389 HG23 THR 53 3HG2 THR 53 9.260 -13.524 -18.339 390 H GLY 54 H GLY 54 11.306 -9.983 -15.149 391 HA2 GLY 54 1HA GLY 54 11.790 -7.828 -14.667 392 HA3 GLY 54 2HA GLY 54 11.615 -7.449 -16.378 393 H GLN 55 H GLN 55 8.702 -8.771 -15.349 394 HA GLN 55 HA GLN 55 7.346 -6.159 -15.056 395 HB2 GLN 55 1HB GLN 55 5.292 -7.534 -14.927 396 HB3 GLN 55 2HB GLN 55 6.193 -7.761 -16.417 397 HG2 GLN 55 1HG GLN 55 6.823 -9.933 -15.903 398 HG3 GLN 55 2HG GLN 55 6.702 -9.711 -14.161 399 HE21 GLN 55 1HE2 GLN 55 4.460 -9.548 -13.197 400 HE22 GLN 55 2HE2 GLN 55 3.169 -10.391 -14.051 401 H HIS 56 H HIS 56 5.685 -5.991 -13.184 402 HA HIS 56 HA HIS 56 7.038 -6.463 -10.651 403 HB2 HIS 56 1HB HIS 56 5.252 -5.391 -9.592 404 HB3 HIS 56 2HB HIS 56 5.560 -4.501 -11.075 405 HD2 HIS 56 2HD HIS 56 3.445 -4.028 -12.552 406 HE1 HIS 56 1HE HIS 56 0.695 -6.669 -10.651 407 HE2 HIS 56 2HE HIS 56 0.926 -4.801 -12.343 408 H GLN 57 H GLN 57 6.247 -7.715 -8.890 409 HA GLN 57 HA GLN 57 5.589 -10.412 -9.798 410 HB2 GLN 57 1HB GLN 57 6.544 -9.306 -7.138 411 HB3 GLN 57 2HB GLN 57 6.285 -11.027 -7.468 412 HG2 GLN 57 1HG GLN 57 7.924 -10.959 -9.312 413 HG3 GLN 57 2HG GLN 57 8.222 -9.248 -9.008 414 HE21 GLN 57 1HE2 GLN 57 8.490 -12.514 -7.493 415 HE22 GLN 57 2HE2 GLN 57 9.788 -12.031 -6.411 416 H GLY 58 H GLY 58 3.353 -8.288 -9.487 417 HA2 GLY 58 1HA GLY 58 1.063 -8.646 -9.275 418 HA3 GLY 58 2HA GLY 58 1.346 -10.136 -8.379 419 H TYR 59 H TYR 59 3.223 -7.777 -6.920 420 HA TYR 59 HA TYR 59 1.119 -6.583 -5.257 421 HB2 TYR 59 1HB TYR 59 2.065 -7.318 -3.168 422 HB3 TYR 59 2HB TYR 59 1.599 -8.705 -4.128 423 HD1 TYR 59 1HD TYR 59 3.363 -10.115 -5.247 424 HD2 TYR 59 2HD TYR 59 4.347 -6.972 -2.458 425 HE1 TYR 59 1HE TYR 59 5.635 -11.089 -4.951 426 HE2 TYR 59 2HE TYR 59 6.587 -7.993 -2.105 427 HH TYR 59 HH TYR 59 8.038 -9.672 -2.698 428 H GLY 60 H GLY 60 1.844 -4.892 -3.916 429 HA2 GLY 60 1HA GLY 60 4.430 -3.552 -4.572 430 HA3 GLY 60 2HA GLY 60 2.913 -2.727 -4.870 431 H PHE 61 H PHE 61 4.385 -1.352 -3.324 432 HA PHE 61 HA PHE 61 3.039 -1.446 -0.702 433 HB2 PHE 61 1HB PHE 61 6.020 -0.965 -1.018 434 HB3 PHE 61 2HB PHE 61 5.122 -0.897 0.472 435 HD1 PHE 61 1HD PHE 61 6.491 -3.174 -2.120 436 HD2 PHE 61 2HD PHE 61 4.606 -2.880 1.744 437 HE1 PHE 61 1HE PHE 61 7.085 -5.540 -1.648 438 HE2 PHE 61 2HE PHE 61 5.219 -5.243 2.222 439 HZ PHE 61 HZ PHE 61 6.450 -6.576 0.521 440 H VAL 62 H VAL 62 2.884 0.557 0.353 441 HA VAL 62 HA VAL 62 3.772 3.005 -1.106 442 HB VAL 62 HB VAL 62 0.967 2.739 0.041 443 HG11 VAL 62 1HG1 VAL 62 0.615 4.856 -1.176 444 HG12 VAL 62 2HG1 VAL 62 1.859 5.025 0.050 445 HG13 VAL 62 3HG1 VAL 62 2.318 4.867 -1.665 446 HG21 VAL 62 1HG2 VAL 62 1.005 1.326 -1.927 447 HG22 VAL 62 2HG2 VAL 62 0.198 2.837 -2.339 448 HG23 VAL 62 3HG2 VAL 62 1.878 2.565 -2.853 449 H GLU 63 H GLU 63 4.637 4.523 0.205 450 HA GLU 63 HA GLU 63 4.603 4.008 3.149 451 HB2 GLU 63 1HB GLU 63 6.746 3.766 1.949 452 HB3 GLU 63 2HB GLU 63 6.618 5.472 1.446 453 HG2 GLU 63 1HG GLU 63 6.760 6.255 3.703 454 HG3 GLU 63 2HG GLU 63 6.604 4.627 4.358 455 H PHE 64 H PHE 64 3.706 5.416 4.462 456 HA PHE 64 HA PHE 64 2.880 8.097 3.465 457 HB2 PHE 64 1HB PHE 64 1.839 6.290 5.666 458 HB3 PHE 64 2HB PHE 64 1.363 7.970 5.495 459 HD1 PHE 64 1HD PHE 64 1.134 4.619 3.918 460 HD2 PHE 64 2HD PHE 64 0.022 8.773 3.666 461 HE1 PHE 64 1HE PHE 64 -0.596 4.050 2.225 462 HE2 PHE 64 2HE PHE 64 -1.704 8.198 1.958 463 HZ PHE 64 HZ PHE 64 -2.042 5.861 1.279 464 H LEU 65 H LEU 65 2.972 9.895 4.877 465 HA LEU 65 HA LEU 65 5.466 10.317 6.134 466 HB2 LEU 65 1HB LEU 65 3.758 12.004 5.182 467 HB3 LEU 65 2HB LEU 65 2.895 11.817 6.716 468 HG LEU 65 HG LEU 65 5.061 12.537 7.879 469 HD11 LEU 65 1HD1 LEU 65 6.640 12.188 6.001 470 HD12 LEU 65 2HD1 LEU 65 6.629 13.883 6.501 471 HD13 LEU 65 3HD1 LEU 65 5.758 13.390 5.032 472 HD21 LEU 65 1HD2 LEU 65 4.645 14.932 7.424 473 HD22 LEU 65 2HD2 LEU 65 3.124 14.040 7.590 474 HD23 LEU 65 3HD2 LEU 65 3.707 14.501 5.974 475 H SER 66 H SER 66 2.424 9.172 7.528 476 HA SER 66 HA SER 66 3.819 8.535 10.069 477 HB2 SER 66 1HB SER 66 1.132 9.954 10.028 478 HB3 SER 66 2HB SER 66 2.087 9.490 11.440 479 HG SER 66 HG SER 66 3.714 10.966 10.743 480 H GLU 67 H GLU 67 2.797 6.938 11.339 481 HA GLU 67 HA GLU 67 1.740 4.743 9.882 482 HB2 GLU 67 1HB GLU 67 3.095 4.559 11.842 483 HB3 GLU 67 2HB GLU 67 1.911 5.386 12.837 484 HG2 GLU 67 1HG GLU 67 1.274 2.763 11.430 485 HG3 GLU 67 2HG GLU 67 2.175 2.781 12.935 486 H GLU 68 H GLU 68 0.000 7.257 11.722 487 HA GLU 68 HA GLU 68 -2.553 5.937 11.611 488 HB2 GLU 68 1HB GLU 68 -3.485 8.054 12.313 489 HB3 GLU 68 2HB GLU 68 -2.041 7.672 13.246 490 HG2 GLU 68 1HG GLU 68 -0.722 9.249 11.803 491 HG3 GLU 68 2HG GLU 68 -2.202 9.660 10.935 492 H ASP 69 H ASP 69 -0.822 7.790 9.199 493 HA ASP 69 HA ASP 69 -3.178 8.165 7.460 494 HB2 ASP 69 1HB ASP 69 -0.202 8.643 7.078 495 HB3 ASP 69 2HB ASP 69 -1.397 8.920 5.827 496 H ALA 70 H ALA 70 -0.517 5.828 7.874 497 HA ALA 70 HA ALA 70 -1.118 4.328 5.452 498 HB1 ALA 70 1HB ALA 70 1.095 4.249 6.539 499 HB2 ALA 70 2HB ALA 70 0.375 3.614 8.034 500 HB3 ALA 70 3HB ALA 70 0.370 2.632 6.570 501 H ASP 71 H ASP 71 -2.019 4.005 8.916 502 HA ASP 71 HA ASP 71 -3.657 1.707 8.654 503 HB2 ASP 71 1HB ASP 71 -2.723 3.003 10.735 504 HB3 ASP 71 2HB ASP 71 -4.243 3.892 10.647 505 H TYR 72 H TYR 72 -4.351 5.049 7.826 506 HA TYR 72 HA TYR 72 -7.222 4.618 7.473 507 HB2 TYR 72 1HB TYR 72 -6.114 6.834 8.062 508 HB3 TYR 72 2HB TYR 72 -5.563 6.907 6.382 509 HD1 TYR 72 1HD TYR 72 -8.465 7.055 8.666 510 HD2 TYR 72 2HD TYR 72 -7.225 7.129 4.541 511 HE1 TYR 72 1HE TYR 72 -10.761 7.749 7.983 512 HE2 TYR 72 2HE TYR 72 -9.503 7.814 3.850 513 HH TYR 72 HH TYR 72 -11.665 8.254 4.557 514 H ALA 73 H ALA 73 -4.330 4.501 5.335 515 HA ALA 73 HA ALA 73 -5.845 4.302 2.867 516 HB1 ALA 73 1HB ALA 73 -3.452 4.959 3.073 517 HB2 ALA 73 2HB ALA 73 -3.047 3.297 3.548 518 HB3 ALA 73 3HB ALA 73 -3.723 3.624 1.934 519 H ILE 74 H ILE 74 -4.736 1.943 5.271 520 HA ILE 74 HA ILE 74 -5.637 -0.425 3.921 521 HB ILE 74 HB ILE 74 -5.223 0.230 6.863 522 HG12 ILE 74 1HG1 ILE 74 -3.440 -1.420 5.039 523 HG13 ILE 74 2HG1 ILE 74 -3.267 0.338 5.133 524 HG21 ILE 74 1HG2 ILE 74 -6.690 -1.713 6.768 525 HG22 ILE 74 2HG2 ILE 74 -5.694 -2.459 5.506 526 HG23 ILE 74 3HG2 ILE 74 -5.073 -2.281 7.162 527 HD11 ILE 74 1HD1 ILE 74 -2.991 -1.519 7.512 528 HD12 ILE 74 2HD1 ILE 74 -1.670 -0.803 6.567 529 HD13 ILE 74 3HD1 ILE 74 -2.755 0.247 7.466 530 H LYS 75 H LYS 75 -7.374 1.933 5.943 531 HA LYS 75 HA LYS 75 -9.846 0.449 6.169 532 HB2 LYS 75 1HB LYS 75 -9.387 2.216 7.716 533 HB3 LYS 75 2HB LYS 75 -9.148 3.388 6.430 534 HG2 LYS 75 1HG LYS 75 -11.528 3.280 5.816 535 HG3 LYS 75 2HG LYS 75 -11.813 2.117 7.130 536 HD2 LYS 75 1HD LYS 75 -11.108 3.766 8.789 537 HD3 LYS 75 2HD LYS 75 -10.633 4.911 7.535 538 HE2 LYS 75 1HE LYS 75 -13.485 3.908 7.943 539 HE3 LYS 75 2HE LYS 75 -12.843 5.373 8.685 540 HZ1 LYS 75 1HZ LYS 75 -13.058 4.923 5.757 541 HZ2 LYS 75 2HZ LYS 75 -12.440 6.275 6.451 542 HZ3 LYS 75 3HZ LYS 75 -14.012 5.899 6.645 543 H ILE 76 H ILE 76 -8.708 2.834 3.693 544 HA ILE 76 HA ILE 76 -11.291 2.513 2.314 545 HB ILE 76 HB ILE 76 -10.531 4.288 0.852 546 HG12 ILE 76 1HG1 ILE 76 -8.152 4.772 2.674 547 HG13 ILE 76 2HG1 ILE 76 -7.997 3.841 1.200 548 HG21 ILE 76 1HG2 ILE 76 -10.261 4.980 3.815 549 HG22 ILE 76 2HG2 ILE 76 -10.802 6.059 2.514 550 HG23 ILE 76 3HG2 ILE 76 -11.806 4.680 2.977 551 HD11 ILE 76 1HD1 ILE 76 -7.415 6.055 0.616 552 HD12 ILE 76 2HD1 ILE 76 -9.031 5.812 -0.045 553 HD13 ILE 76 3HD1 ILE 76 -8.817 6.738 1.465 554 H MET 77 H MET 77 -7.910 1.568 1.608 555 HA MET 77 HA MET 77 -8.652 0.892 -1.152 556 HB2 MET 77 1HB MET 77 -6.040 0.976 0.283 557 HB3 MET 77 2HB MET 77 -6.182 0.408 -1.370 558 HG2 MET 77 1HG MET 77 -7.258 3.116 -0.588 559 HG3 MET 77 2HG MET 77 -5.566 2.890 -0.949 560 HE1 MET 77 1HE MET 77 -5.398 4.405 -3.367 561 HE2 MET 77 2HE MET 77 -7.026 4.775 -3.978 562 HE3 MET 77 3HE MET 77 -6.683 4.953 -2.252 563 H ASP 78 H ASP 78 -9.080 -0.863 1.517 564 HA ASP 78 HA ASP 78 -8.040 -3.389 0.427 565 HB2 ASP 78 1HB ASP 78 -7.901 -2.942 2.856 566 HB3 ASP 78 2HB ASP 78 -9.666 -2.953 2.954 567 H MET 79 H MET 79 -9.172 -5.043 -0.450 568 HA MET 79 HA MET 79 -10.632 -6.016 -1.807 569 HB2 MET 79 1HB MET 79 -12.850 -4.704 -0.210 570 HB3 MET 79 2HB MET 79 -13.028 -6.042 -1.342 571 HG2 MET 79 1HG MET 79 -11.351 -6.122 1.186 572 HG3 MET 79 2HG MET 79 -12.976 -6.774 1.016 573 HE1 MET 79 1HE MET 79 -11.647 -8.831 2.203 574 HE2 MET 79 2HE MET 79 -10.397 -9.792 1.379 575 HE3 MET 79 3HE MET 79 -10.037 -8.131 1.904 576 H ILE 80 H ILE 80 -9.975 -2.879 -2.163 577 HA ILE 80 HA ILE 80 -11.982 -2.037 -4.049 578 HB ILE 80 HB ILE 80 -9.448 -0.974 -2.959 579 HG12 ILE 80 1HG1 ILE 80 -12.214 0.098 -3.595 580 HG13 ILE 80 2HG1 ILE 80 -11.515 -0.282 -2.021 581 HG21 ILE 80 1HG2 ILE 80 -9.065 0.735 -4.578 582 HG22 ILE 80 2HG2 ILE 80 -8.818 -0.833 -5.297 583 HG23 ILE 80 3HG2 ILE 80 -10.327 0.061 -5.661 584 HD11 ILE 80 1HD1 ILE 80 -10.879 2.068 -3.846 585 HD12 ILE 80 2HD1 ILE 80 -11.559 2.095 -2.211 586 HD13 ILE 80 3HD1 ILE 80 -9.862 1.644 -2.460 587 H LYS 81 H LYS 81 -11.997 -1.911 -6.218 588 HA LYS 81 HA LYS 81 -10.549 -4.129 -7.553 589 HB2 LYS 81 1HB LYS 81 -13.091 -2.643 -8.252 590 HB3 LYS 81 2HB LYS 81 -12.383 -3.982 -9.187 591 HG2 LYS 81 1HG LYS 81 -12.547 -5.421 -7.109 592 HG3 LYS 81 2HG LYS 81 -13.435 -4.106 -6.328 593 HD2 LYS 81 1HD LYS 81 -15.131 -5.526 -7.082 594 HD3 LYS 81 2HD LYS 81 -15.080 -4.263 -8.322 595 HE2 LYS 81 1HE LYS 81 -13.532 -5.814 -9.654 596 HE3 LYS 81 2HE LYS 81 -13.838 -7.055 -8.441 597 HZ1 LYS 81 1HZ LYS 81 -16.207 -6.938 -9.001 598 HZ2 LYS 81 2HZ LYS 81 -15.339 -7.289 -10.336 599 HZ3 LYS 81 3HZ LYS 81 -15.935 -5.785 -10.125 600 H LEU 82 H LEU 82 -8.660 -2.618 -7.516 601 HA LEU 82 HA LEU 82 -8.451 -0.486 -9.433 602 HB2 LEU 82 1HB LEU 82 -6.855 -0.924 -7.548 603 HB3 LEU 82 2HB LEU 82 -6.281 -2.363 -8.386 604 HG LEU 82 HG LEU 82 -5.365 -0.993 -10.198 605 HD11 LEU 82 1HD1 LEU 82 -6.908 0.869 -10.363 606 HD12 LEU 82 2HD1 LEU 82 -5.338 1.530 -9.922 607 HD13 LEU 82 3HD1 LEU 82 -6.589 1.349 -8.681 608 HD21 LEU 82 1HD2 LEU 82 -3.632 0.191 -8.907 609 HD22 LEU 82 2HD2 LEU 82 -4.013 -1.364 -8.150 610 HD23 LEU 82 3HD2 LEU 82 -4.652 0.138 -7.455 611 H TYR 83 H TYR 83 -8.275 -0.561 -11.692 612 HA TYR 83 HA TYR 83 -8.988 -1.516 -13.637 613 HB2 TYR 83 1HB TYR 83 -6.553 -3.237 -13.118 614 HB3 TYR 83 2HB TYR 83 -7.299 -2.960 -14.683 615 HD1 TYR 83 1HD TYR 83 -4.718 -1.880 -12.557 616 HD2 TYR 83 2HD TYR 83 -7.618 -0.406 -15.386 617 HE1 TYR 83 1HE TYR 83 -3.281 0.109 -13.003 618 HE2 TYR 83 2HE TYR 83 -6.191 1.586 -15.814 619 HH TYR 83 HH TYR 83 -4.237 2.671 -15.317 620 H GLY 84 H GLY 84 -10.527 -2.771 -11.472 621 HA2 GLY 84 1HA GLY 84 -12.341 -4.173 -11.631 622 HA3 GLY 84 2HA GLY 84 -11.709 -4.855 -13.121 623 H LYS 85 H LYS 85 -9.526 -5.081 -10.424 624 HA LYS 85 HA LYS 85 -10.209 -7.907 -9.863 625 HB2 LYS 85 1HB LYS 85 -7.521 -6.662 -10.517 626 HB3 LYS 85 2HB LYS 85 -7.686 -8.228 -9.709 627 HG2 LYS 85 1HG LYS 85 -8.858 -9.192 -11.584 628 HG3 LYS 85 2HG LYS 85 -9.014 -7.620 -12.378 629 HD2 LYS 85 1HD LYS 85 -6.540 -7.482 -12.592 630 HD3 LYS 85 2HD LYS 85 -6.396 -9.099 -11.867 631 HE2 LYS 85 1HE LYS 85 -7.722 -10.062 -13.713 632 HE3 LYS 85 2HE LYS 85 -7.987 -8.448 -14.391 633 HZ1 LYS 85 1HZ LYS 85 -5.339 -9.769 -14.154 634 HZ2 LYS 85 2HZ LYS 85 -5.588 -8.257 -14.743 635 HZ3 LYS 85 3HZ LYS 85 -6.178 -9.560 -15.541 636 HA PRO 86 HA PRO 86 -10.304 -5.746 -5.941 637 HB2 PRO 86 1HB PRO 86 -11.137 -7.788 -4.300 638 HB3 PRO 86 2HB PRO 86 -12.191 -6.909 -5.447 639 HG2 PRO 86 1HG PRO 86 -10.818 -9.573 -5.848 640 HG3 PRO 86 2HG PRO 86 -12.514 -9.124 -6.223 641 HD2 PRO 86 1HD PRO 86 -10.561 -9.154 -8.130 642 HD3 PRO 86 2HD PRO 86 -11.839 -7.900 -8.169 643 H ILE 87 H ILE 87 -8.566 -5.118 -4.861 644 HA ILE 87 HA ILE 87 -6.254 -6.868 -4.472 645 HB ILE 87 HB ILE 87 -5.024 -4.896 -3.919 646 HG12 ILE 87 1HG1 ILE 87 -7.707 -3.518 -3.643 647 HG13 ILE 87 2HG1 ILE 87 -6.395 -3.652 -2.492 648 HG21 ILE 87 1HG2 ILE 87 -5.575 -5.444 -6.302 649 HG22 ILE 87 2HG2 ILE 87 -6.896 -4.262 -6.243 650 HG23 ILE 87 3HG2 ILE 87 -5.220 -3.736 -6.034 651 HD11 ILE 87 1HD1 ILE 87 -6.432 -1.964 -5.023 652 HD12 ILE 87 2HD1 ILE 87 -6.412 -1.394 -3.353 653 HD13 ILE 87 3HD1 ILE 87 -4.987 -2.208 -4.017 654 H ARG 88 H ARG 88 -4.978 -6.716 -2.408 655 HA ARG 88 HA ARG 88 -6.680 -6.628 0.074 656 HB2 ARG 88 1HB ARG 88 -4.278 -8.435 -0.424 657 HB3 ARG 88 2HB ARG 88 -5.221 -8.340 1.062 658 HG2 ARG 88 1HG ARG 88 -6.229 -9.329 -1.634 659 HG3 ARG 88 2HG ARG 88 -5.747 -10.340 -0.279 660 HD2 ARG 88 1HD ARG 88 -7.575 -9.534 1.098 661 HD3 ARG 88 2HD ARG 88 -8.047 -8.341 -0.113 662 HE ARG 88 HE ARG 88 -8.581 -11.229 -0.164 663 HH11 ARG 88 1HH1 ARG 88 -8.598 -8.295 -2.065 664 HH12 ARG 88 2HH1 ARG 88 -9.086 -9.123 -3.519 665 HH21 ARG 88 1HH2 ARG 88 -9.591 -12.155 -1.940 666 HH22 ARG 88 2HH2 ARG 88 -9.938 -11.183 -3.338 667 H VAL 89 H VAL 89 -5.989 -5.267 1.634 668 HA VAL 89 HA VAL 89 -3.230 -4.146 1.405 669 HB VAL 89 HB VAL 89 -5.692 -2.476 1.999 670 HG11 VAL 89 1HG1 VAL 89 -4.187 -0.576 1.647 671 HG12 VAL 89 2HG1 VAL 89 -3.545 -1.603 2.925 672 HG13 VAL 89 3HG1 VAL 89 -2.828 -1.674 1.313 673 HG21 VAL 89 1HG2 VAL 89 -4.066 -2.780 -0.563 674 HG22 VAL 89 2HG2 VAL 89 -5.792 -3.139 -0.349 675 HG23 VAL 89 3HG2 VAL 89 -5.225 -1.472 -0.269 676 H ASN 90 H ASN 90 -2.099 -3.907 3.212 677 HA ASN 90 HA ASN 90 -3.255 -3.791 5.885 678 HB2 ASN 90 1HB ASN 90 -2.073 -5.885 6.675 679 HB3 ASN 90 2HB ASN 90 -3.448 -6.166 5.626 680 HD21 ASN 90 1HD2 ASN 90 0.176 -6.153 5.658 681 HD22 ASN 90 2HD2 ASN 90 0.257 -7.268 4.306 682 H LYS 91 H LYS 91 -1.385 -3.802 7.577 683 HA LYS 91 HA LYS 91 0.722 -1.944 6.880 684 HB2 LYS 91 1HB LYS 91 0.738 -3.965 9.154 685 HB3 LYS 91 2HB LYS 91 1.660 -2.472 9.073 686 HG2 LYS 91 1HG LYS 91 -1.368 -2.685 9.344 687 HG3 LYS 91 2HG LYS 91 -0.249 -2.453 10.665 688 HD2 LYS 91 1HD LYS 91 0.081 -0.411 8.537 689 HD3 LYS 91 2HD LYS 91 -1.550 -0.461 9.206 690 HE2 LYS 91 1HE LYS 91 0.894 -0.205 10.955 691 HE3 LYS 91 2HE LYS 91 0.018 1.166 10.274 692 HZ1 LYS 91 1HZ LYS 91 -2.030 0.274 11.372 693 HZ2 LYS 91 2HZ LYS 91 -0.884 0.795 12.401 694 HZ3 LYS 91 3HZ LYS 91 -1.103 -0.821 12.169 695 H ALA 92 H ALA 92 2.946 -2.330 6.348 696 HA ALA 92 HA ALA 92 3.429 -4.727 4.842 697 HB1 ALA 92 1HB ALA 92 5.350 -2.566 5.791 698 HB2 ALA 92 2HB ALA 92 5.691 -3.786 4.546 699 HB3 ALA 92 3HB ALA 92 4.428 -2.573 4.271 700 H SER 93 H SER 93 4.271 -3.859 8.176 701 HA SER 93 HA SER 93 5.665 -6.416 8.672 702 HB2 SER 93 1HB SER 93 6.543 -4.699 9.959 703 HB3 SER 93 2HB SER 93 4.955 -4.022 10.362 704 HG SER 93 HG SER 93 6.095 -5.276 12.045 705 H ALA 94 H ALA 94 2.716 -4.879 9.987 706 HA ALA 94 HA ALA 94 0.950 -5.628 11.127 707 HB1 ALA 94 1HB ALA 94 0.992 -7.985 9.219 708 HB2 ALA 94 2HB ALA 94 -0.394 -7.388 10.152 709 HB3 ALA 94 3HB ALA 94 0.304 -6.378 8.874 710 H HIS 95 H HIS 95 3.722 -6.647 11.981 711 HA HIS 95 HA HIS 95 2.754 -8.581 14.031 712 HB2 HIS 95 1HB HIS 95 4.022 -9.460 11.815 713 HB3 HIS 95 2HB HIS 95 5.440 -9.044 12.763 714 HD2 HIS 95 2HD HIS 95 2.127 -11.075 13.123 715 HE1 HIS 95 1HE HIS 95 5.125 -13.198 15.300 716 HE2 HIS 95 2HE HIS 95 2.693 -13.232 14.543 717 H ASN 96 H ASN 96 3.565 -5.646 14.015 718 HA ASN 96 HA ASN 96 6.055 -5.353 15.383 719 HB2 ASN 96 1HB ASN 96 4.872 -3.611 14.040 720 HB3 ASN 96 2HB ASN 96 3.633 -3.501 15.292 721 HD21 ASN 96 1HD2 ASN 96 4.627 -1.163 14.810 722 HD22 ASN 96 2HD2 ASN 96 5.881 -0.703 15.949 723 H LYS 97 H LYS 97 6.613 -5.358 17.478 724 HA LYS 97 HA LYS 97 4.670 -6.315 19.520 725 HB2 LYS 97 1HB LYS 97 7.709 -6.196 19.524 726 HB3 LYS 97 2HB LYS 97 6.709 -6.861 20.821 727 HG2 LYS 97 1HG LYS 97 5.745 -8.517 19.215 728 HG3 LYS 97 2HG LYS 97 6.858 -7.941 17.969 729 HD2 LYS 97 1HD LYS 97 7.677 -9.164 20.640 730 HD3 LYS 97 2HD LYS 97 7.635 -10.010 19.086 731 HE2 LYS 97 1HE LYS 97 9.309 -8.406 18.170 732 HE3 LYS 97 2HE LYS 97 9.387 -7.596 19.740 733 HZ1 LYS 97 1HZ LYS 97 11.174 -9.216 19.497 734 HZ2 LYS 97 2HZ LYS 97 10.120 -10.434 19.253 735 HZ3 LYS 97 3HZ LYS 97 10.186 -9.688 20.705 736 H ASN 98 H ASN 98 5.880 -3.313 18.606 737 HA ASN 98 HA ASN 98 6.420 -2.072 21.105 738 HB2 ASN 98 1HB ASN 98 7.056 -1.177 18.879 739 HB3 ASN 98 2HB ASN 98 5.352 -0.888 18.505 740 HD21 ASN 98 1HD2 ASN 98 7.950 0.026 20.831 741 HD22 ASN 98 2HD2 ASN 98 7.275 1.618 21.139 742 H LEU 99 H LEU 99 5.210 -0.691 22.420 743 HA LEU 99 HA LEU 99 3.531 -0.245 23.819 744 HB2 LEU 99 1HB LEU 99 3.122 1.230 21.808 745 HB3 LEU 99 2HB LEU 99 1.853 0.114 21.322 746 HG LEU 99 HG LEU 99 0.629 0.628 23.467 747 HD11 LEU 99 1HD1 LEU 99 2.479 1.316 24.928 748 HD12 LEU 99 2HD1 LEU 99 1.324 2.630 24.753 749 HD13 LEU 99 3HD1 LEU 99 2.852 2.682 23.848 750 HD21 LEU 99 1HD2 LEU 99 -0.066 2.881 22.814 751 HD22 LEU 99 2HD2 LEU 99 0.148 1.858 21.385 752 HD23 LEU 99 3HD2 LEU 99 1.389 3.060 21.805 753 H SER 100 H SER 100 3.919 -2.861 23.875 754 HA SER 100 HA SER 100 1.486 -4.431 23.681 755 HB2 SER 100 1HB SER 100 2.793 -6.078 25.012 756 HB3 SER 100 2HB SER 100 3.626 -5.520 23.552 757 HG SER 100 HG SER 100 5.013 -5.537 25.390 758 H GLY 101 H GLY 101 3.056 -2.585 26.276 759 HA2 GLY 101 1HA GLY 101 0.863 -3.104 28.201 760 HA3 GLY 101 2HA GLY 101 2.327 -2.171 28.501 761 HA PRO 102 HA PRO 102 -1.433 0.612 27.628 762 HB2 PRO 102 1HB PRO 102 -0.806 1.544 30.424 763 HB3 PRO 102 2HB PRO 102 -2.398 1.352 29.627 764 HG2 PRO 102 1HG PRO 102 -1.538 -0.491 31.416 765 HG3 PRO 102 2HG PRO 102 -2.323 -1.026 29.891 766 HD2 PRO 102 1HD PRO 102 0.646 -0.851 30.511 767 HD3 PRO 102 2HD PRO 102 -0.279 -2.199 29.780 768 H SER 103 H SER 103 -1.311 2.799 27.018 769 HA SER 103 HA SER 103 1.277 4.032 26.678 770 HB2 SER 103 1HB SER 103 -0.062 5.937 25.801 771 HB3 SER 103 2HB SER 103 -0.478 4.382 25.059 772 HG SER 103 HG SER 103 -2.344 5.598 25.662 773 H SER 104 H SER 104 -1.018 4.137 29.276 774 HA SER 104 HA SER 104 0.077 6.539 30.555 775 HB2 SER 104 1HB SER 104 -1.551 5.939 32.339 776 HB3 SER 104 2HB SER 104 -2.283 6.110 30.736 777 HG SER 104 HG SER 104 -3.005 4.217 31.846 778 H GLY 105 H GLY 105 1.251 3.412 30.298 779 HA2 GLY 105 1HA GLY 105 2.047 2.728 32.966 780 HA3 GLY 105 2HA GLY 105 2.730 2.094 31.468 Start of MODEL 14 1 H1 GLY 1 1H GLY 1 23.097 -0.244 29.279 2 H2 GLY 1 2H GLY 1 24.070 -1.132 28.303 3 H3 GLY 1 3H GLY 1 22.443 -1.228 28.140 4 HA2 GLY 1 1HA GLY 1 22.320 1.074 27.425 5 HA3 GLY 1 2HA GLY 1 24.084 1.165 27.594 6 H SER 2 H SER 2 21.925 1.149 25.274 7 HA SER 2 HA SER 2 21.609 0.342 23.181 8 HB2 SER 2 1HB SER 2 24.631 0.084 23.172 9 HB3 SER 2 2HB SER 2 23.574 0.164 21.750 10 HG SER 2 HG SER 2 24.469 2.215 22.295 11 H SER 3 H SER 3 21.098 -1.577 25.073 12 HA SER 3 HA SER 3 21.727 -4.166 23.750 13 HB2 SER 3 1HB SER 3 22.188 -5.135 25.987 14 HB3 SER 3 2HB SER 3 23.377 -3.921 25.500 15 HG SER 3 HG SER 3 22.531 -3.798 27.726 16 H GLY 4 H GLY 4 20.346 -5.959 24.554 17 HA2 GLY 4 1HA GLY 4 18.290 -6.908 24.937 18 HA3 GLY 4 2HA GLY 4 18.017 -5.625 26.120 19 H SER 5 H SER 5 18.478 -4.939 22.693 20 HA SER 5 HA SER 5 17.313 -3.681 21.244 21 HB2 SER 5 1HB SER 5 14.895 -5.256 22.163 22 HB3 SER 5 2HB SER 5 15.044 -4.328 20.660 23 HG SER 5 HG SER 5 15.488 -6.568 20.359 24 H SER 6 H SER 6 17.527 -2.630 24.055 25 HA SER 6 HA SER 6 15.256 -0.790 24.315 26 HB2 SER 6 1HB SER 6 16.553 -1.776 26.245 27 HB3 SER 6 2HB SER 6 17.909 -0.728 25.784 28 HG SER 6 HG SER 6 16.504 0.203 27.388 29 H GLY 7 H GLY 7 15.648 1.579 24.454 30 HA2 GLY 7 1HA GLY 7 16.371 3.608 23.579 31 HA3 GLY 7 2HA GLY 7 17.794 2.813 22.940 32 HA PRO 8 HA PRO 8 15.481 4.014 19.215 33 HB2 PRO 8 1HB PRO 8 17.364 3.527 17.293 34 HB3 PRO 8 2HB PRO 8 17.460 4.903 18.435 35 HG2 PRO 8 1HG PRO 8 18.810 2.192 18.675 36 HG3 PRO 8 2HG PRO 8 19.557 3.815 18.837 37 HD2 PRO 8 1HD PRO 8 18.764 2.385 21.006 38 HD3 PRO 8 2HD PRO 8 18.557 4.163 20.954 39 H ILE 9 H ILE 9 14.558 3.095 17.335 40 HA ILE 9 HA ILE 9 13.750 0.352 17.601 41 HB ILE 9 HB ILE 9 12.368 0.662 15.728 42 HG12 ILE 9 1HG1 ILE 9 13.780 1.998 14.244 43 HG13 ILE 9 2HG1 ILE 9 12.139 2.571 14.430 44 HG21 ILE 9 1HG2 ILE 9 12.230 3.040 17.619 45 HG22 ILE 9 2HG2 ILE 9 10.915 2.420 16.604 46 HG23 ILE 9 3HG2 ILE 9 11.585 1.414 17.897 47 HD11 ILE 9 1HD1 ILE 9 12.962 4.428 15.903 48 HD12 ILE 9 2HD1 ILE 9 14.630 3.869 15.600 49 HD13 ILE 9 3HD1 ILE 9 13.636 4.457 14.268 50 H SER 10 H SER 10 13.878 -1.359 16.103 51 HA SER 10 HA SER 10 16.552 -1.658 14.927 52 HB2 SER 10 1HB SER 10 15.930 -4.060 14.886 53 HB3 SER 10 2HB SER 10 15.801 -3.318 16.489 54 HG SER 10 HG SER 10 13.966 -4.619 15.963 55 H GLU 11 H GLU 11 13.642 -0.673 13.604 56 HA GLU 11 HA GLU 11 14.430 -1.528 10.870 57 HB2 GLU 11 1HB GLU 11 12.786 -3.163 11.512 58 HB3 GLU 11 2HB GLU 11 11.741 -1.933 12.207 59 HG2 GLU 11 1HG GLU 11 10.753 -2.709 10.204 60 HG3 GLU 11 2HG GLU 11 11.234 -1.043 9.964 61 H ARG 12 H ARG 12 13.779 -0.168 9.218 62 HA ARG 12 HA ARG 12 13.399 2.682 9.949 63 HB2 ARG 12 1HB ARG 12 13.762 1.346 7.232 64 HB3 ARG 12 2HB ARG 12 13.767 3.080 7.544 65 HG2 ARG 12 1HG ARG 12 15.823 1.055 8.535 66 HG3 ARG 12 2HG ARG 12 16.031 2.230 7.239 67 HD2 ARG 12 1HD ARG 12 15.721 4.086 8.914 68 HD3 ARG 12 2HD ARG 12 15.604 2.872 10.188 69 HE ARG 12 HE ARG 12 17.882 2.459 10.086 70 HH11 ARG 12 1HH1 ARG 12 17.107 4.599 7.415 71 HH12 ARG 12 2HH1 ARG 12 18.784 4.946 7.096 72 HH21 ARG 12 1HH2 ARG 12 19.990 2.948 9.618 73 HH22 ARG 12 2HH2 ARG 12 20.366 4.033 8.312 74 H ASN 13 H ASN 13 11.390 2.605 10.843 75 HA ASN 13 HA ASN 13 9.164 2.644 11.062 76 HB2 ASN 13 1HB ASN 13 9.414 3.702 8.251 77 HB3 ASN 13 2HB ASN 13 7.821 3.369 8.918 78 HD21 ASN 13 1HD2 ASN 13 7.259 4.315 11.019 79 HD22 ASN 13 2HD2 ASN 13 7.911 5.925 11.379 80 H GLN 14 H GLN 14 8.670 1.392 7.798 81 HA GLN 14 HA GLN 14 7.462 -0.324 7.041 82 HB2 GLN 14 1HB GLN 14 9.507 -1.457 8.324 83 HB3 GLN 14 2HB GLN 14 8.215 -2.130 9.309 84 HG2 GLN 14 1HG GLN 14 8.719 -3.718 7.607 85 HG3 GLN 14 2HG GLN 14 7.181 -3.002 7.132 86 HE21 GLN 14 1HE2 GLN 14 10.590 -2.274 4.906 87 HE22 GLN 14 2HE2 GLN 14 10.747 -2.863 6.567 88 H ASP 15 H ASP 15 6.562 1.050 9.930 89 HA ASP 15 HA ASP 15 3.973 -0.320 10.218 90 HB2 ASP 15 1HB ASP 15 3.725 1.109 12.147 91 HB3 ASP 15 2HB ASP 15 5.272 0.276 12.210 92 H ALA 16 H ALA 16 5.267 2.896 9.316 93 HA ALA 16 HA ALA 16 2.705 3.818 8.259 94 HB1 ALA 16 1HB ALA 16 3.945 5.804 7.642 95 HB2 ALA 16 2HB ALA 16 4.382 5.329 9.292 96 HB3 ALA 16 3HB ALA 16 5.495 4.986 7.945 97 H THR 17 H THR 17 4.850 1.547 7.071 98 HA THR 17 HA THR 17 4.217 2.097 4.221 99 HB THR 17 HB THR 17 5.816 -0.248 5.250 100 HG1 THR 17 1HG THR 17 7.627 1.032 4.693 101 HG21 THR 17 1HG2 THR 17 5.034 -0.386 2.887 102 HG22 THR 17 2HG2 THR 17 6.788 -0.186 2.962 103 HG23 THR 17 3HG2 THR 17 5.763 1.200 2.551 104 H VAL 18 H VAL 18 2.638 1.050 3.170 105 HA VAL 18 HA VAL 18 1.208 -1.189 4.542 106 HB VAL 18 HB VAL 18 -0.739 -0.731 3.239 107 HG11 VAL 18 1HG1 VAL 18 0.272 1.878 4.432 108 HG12 VAL 18 2HG1 VAL 18 -1.415 1.387 4.213 109 HG13 VAL 18 3HG1 VAL 18 -0.385 0.518 5.369 110 HG21 VAL 18 1HG2 VAL 18 0.246 0.174 1.148 111 HG22 VAL 18 2HG2 VAL 18 -1.008 1.228 1.812 112 HG23 VAL 18 3HG2 VAL 18 0.697 1.652 2.033 113 H TYR 19 H TYR 19 0.691 -3.009 3.435 114 HA TYR 19 HA TYR 19 2.248 -3.697 0.979 115 HB2 TYR 19 1HB TYR 19 2.661 -5.268 2.716 116 HB3 TYR 19 2HB TYR 19 0.983 -5.276 3.235 117 HD1 TYR 19 1HD TYR 19 3.310 -6.484 0.586 118 HD2 TYR 19 2HD TYR 19 -0.680 -6.677 2.215 119 HE1 TYR 19 1HE TYR 19 2.838 -8.513 -0.786 120 HE2 TYR 19 2HE TYR 19 -1.157 -8.679 0.818 121 HH TYR 19 HH TYR 19 -0.313 -10.204 -0.680 122 H VAL 20 H VAL 20 1.189 -4.265 -0.862 123 HA VAL 20 HA VAL 20 -1.808 -4.358 -0.938 124 HB VAL 20 HB VAL 20 -0.068 -2.958 -3.003 125 HG11 VAL 20 1HG1 VAL 20 -2.283 -2.201 -3.828 126 HG12 VAL 20 2HG1 VAL 20 -2.152 -3.973 -3.863 127 HG13 VAL 20 3HG1 VAL 20 -3.086 -3.181 -2.587 128 HG21 VAL 20 1HG2 VAL 20 -0.067 -1.565 -0.985 129 HG22 VAL 20 2HG2 VAL 20 -1.083 -0.855 -2.234 130 HG23 VAL 20 3HG2 VAL 20 -1.834 -1.704 -0.862 131 H GLY 21 H GLY 21 -2.197 -6.438 -1.418 132 HA2 GLY 21 1HA GLY 21 -0.526 -7.867 -3.455 133 HA3 GLY 21 2HA GLY 21 -1.559 -8.627 -2.256 134 H GLY 22 H GLY 22 -1.456 -8.829 -5.221 135 HA2 GLY 22 1HA GLY 22 -3.203 -9.774 -6.517 136 HA3 GLY 22 2HA GLY 22 -4.410 -8.885 -5.587 137 H LEU 23 H LEU 23 -1.500 -7.602 -7.214 138 HA LEU 23 HA LEU 23 -3.081 -5.414 -8.353 139 HB2 LEU 23 1HB LEU 23 -0.095 -6.022 -8.278 140 HB3 LEU 23 2HB LEU 23 -0.791 -4.566 -8.984 141 HG LEU 23 HG LEU 23 -0.991 -5.389 -6.047 142 HD11 LEU 23 1HD1 LEU 23 1.254 -4.629 -6.802 143 HD12 LEU 23 2HD1 LEU 23 0.501 -3.551 -5.614 144 HD13 LEU 23 3HD1 LEU 23 0.528 -3.097 -7.328 145 HD21 LEU 23 1HD2 LEU 23 -2.927 -4.140 -6.404 146 HD22 LEU 23 2HD2 LEU 23 -2.185 -3.095 -7.632 147 HD23 LEU 23 3HD2 LEU 23 -1.773 -2.883 -5.932 148 H ASP 24 H ASP 24 -3.280 -4.892 -10.479 149 HA ASP 24 HA ASP 24 -3.136 -7.105 -12.375 150 HB2 ASP 24 1HB ASP 24 -5.123 -5.629 -12.227 151 HB3 ASP 24 2HB ASP 24 -4.131 -4.236 -12.650 152 H GLU 25 H GLU 25 -2.111 -6.909 -14.531 153 HA GLU 25 HA GLU 25 0.603 -6.096 -14.427 154 HB2 GLU 25 1HB GLU 25 0.692 -6.694 -16.767 155 HB3 GLU 25 2HB GLU 25 -0.233 -7.884 -15.855 156 HG2 GLU 25 1HG GLU 25 -2.356 -6.861 -16.682 157 HG3 GLU 25 2HG GLU 25 -1.420 -5.678 -17.600 158 H LYS 26 H LYS 26 -2.183 -4.133 -15.244 159 HA LYS 26 HA LYS 26 -0.608 -2.009 -16.539 160 HB2 LYS 26 1HB LYS 26 -3.494 -2.153 -15.595 161 HB3 LYS 26 2HB LYS 26 -2.791 -0.786 -16.469 162 HG2 LYS 26 1HG LYS 26 -2.224 -2.250 -18.374 163 HG3 LYS 26 2HG LYS 26 -2.936 -3.638 -17.557 164 HD2 LYS 26 1HD LYS 26 -4.408 -1.114 -18.413 165 HD3 LYS 26 2HD LYS 26 -4.437 -2.657 -19.260 166 HE2 LYS 26 1HE LYS 26 -5.536 -2.116 -16.469 167 HE3 LYS 26 2HE LYS 26 -6.482 -2.292 -17.949 168 HZ1 LYS 26 1HZ LYS 26 -4.895 -4.397 -16.584 169 HZ2 LYS 26 2HZ LYS 26 -5.527 -4.601 -18.096 170 HZ3 LYS 26 3HZ LYS 26 -6.506 -4.375 -16.807 171 H VAL 27 H VAL 27 -0.923 -2.880 -13.297 172 HA VAL 27 HA VAL 27 -0.884 -0.183 -12.141 173 HB VAL 27 HB VAL 27 -0.308 -2.882 -10.864 174 HG11 VAL 27 1HG1 VAL 27 0.630 -1.010 -9.531 175 HG12 VAL 27 2HG1 VAL 27 -0.952 -0.219 -9.537 176 HG13 VAL 27 3HG1 VAL 27 -0.737 -1.778 -8.741 177 HG21 VAL 27 1HG2 VAL 27 -2.848 -1.183 -10.900 178 HG22 VAL 27 2HG2 VAL 27 -2.629 -2.760 -11.685 179 HG23 VAL 27 3HG2 VAL 27 -2.613 -2.648 -9.926 180 H SER 28 H SER 28 0.871 0.995 -11.451 181 HA SER 28 HA SER 28 3.530 -0.292 -11.271 182 HB2 SER 28 1HB SER 28 3.297 0.621 -13.609 183 HB3 SER 28 2HB SER 28 3.160 2.243 -12.904 184 HG SER 28 HG SER 28 5.335 1.602 -13.524 185 H GLU 29 H GLU 29 5.162 1.295 -10.300 186 HA GLU 29 HA GLU 29 4.225 2.147 -7.750 187 HB2 GLU 29 1HB GLU 29 6.769 2.561 -9.345 188 HB3 GLU 29 2HB GLU 29 6.565 3.422 -7.827 189 HG2 GLU 29 1HG GLU 29 6.589 1.471 -6.544 190 HG3 GLU 29 2HG GLU 29 6.021 0.478 -7.863 191 HA PRO 30 HA PRO 30 4.190 6.723 -9.262 192 HB2 PRO 30 1HB PRO 30 3.483 6.341 -12.168 193 HB3 PRO 30 2HB PRO 30 4.433 7.649 -11.397 194 HG2 PRO 30 1HG PRO 30 5.701 5.679 -12.745 195 HG3 PRO 30 2HG PRO 30 6.339 6.210 -11.151 196 HD2 PRO 30 1HD PRO 30 4.546 3.839 -11.756 197 HD3 PRO 30 2HD PRO 30 6.059 3.889 -10.808 198 H LEU 31 H LEU 31 2.073 4.208 -10.639 199 HA LEU 31 HA LEU 31 -0.376 5.781 -10.502 200 HB2 LEU 31 1HB LEU 31 -0.149 3.730 -11.949 201 HB3 LEU 31 2HB LEU 31 0.004 2.757 -10.490 202 HG LEU 31 HG LEU 31 -2.319 3.641 -9.765 203 HD11 LEU 31 1HD1 LEU 31 -2.435 5.536 -11.335 204 HD12 LEU 31 2HD1 LEU 31 -3.740 4.379 -11.643 205 HD13 LEU 31 3HD1 LEU 31 -2.313 4.406 -12.710 206 HD21 LEU 31 1HD2 LEU 31 -1.946 1.926 -12.249 207 HD22 LEU 31 2HD2 LEU 31 -3.447 2.030 -11.299 208 HD23 LEU 31 3HD2 LEU 31 -1.981 1.388 -10.549 209 H LEU 32 H LEU 32 1.094 3.201 -8.461 210 HA LEU 32 HA LEU 32 -0.859 3.231 -6.425 211 HB2 LEU 32 1HB LEU 32 2.147 2.728 -6.120 212 HB3 LEU 32 2HB LEU 32 0.910 2.334 -4.929 213 HG LEU 32 HG LEU 32 1.306 1.065 -7.644 214 HD11 LEU 32 1HD1 LEU 32 2.767 0.288 -5.791 215 HD12 LEU 32 2HD1 LEU 32 1.640 -0.966 -6.344 216 HD13 LEU 32 3HD1 LEU 32 1.310 -0.087 -4.831 217 HD21 LEU 32 1HD2 LEU 32 -0.605 -0.449 -6.882 218 HD22 LEU 32 2HD2 LEU 32 -1.079 1.189 -7.363 219 HD23 LEU 32 3HD2 LEU 32 -0.959 0.760 -5.635 220 H TRP 33 H TRP 33 2.076 5.237 -6.679 221 HA TRP 33 HA TRP 33 1.866 6.568 -4.206 222 HB2 TRP 33 1HB TRP 33 3.713 6.554 -5.980 223 HB3 TRP 33 2HB TRP 33 2.833 7.805 -6.821 224 HD1 TRP 33 HD TRP 33 2.141 9.656 -4.244 225 HE1 TRP 33 1HE TRP 33 4.050 10.903 -3.043 226 HE3 TRP 33 3HE TRP 33 6.050 6.869 -5.914 227 HZ2 TRP 33 2HZ TRP 33 6.940 10.743 -2.899 228 HZ3 TRP 33 3HZ TRP 33 8.404 7.424 -5.239 229 HH2 TRP 33 HH TRP 33 8.842 9.358 -3.738 230 H GLU 34 H GLU 34 0.771 7.860 -7.368 231 HA GLU 34 HA GLU 34 -0.661 10.061 -6.243 232 HB2 GLU 34 1HB GLU 34 -0.893 8.699 -8.961 233 HB3 GLU 34 2HB GLU 34 -1.699 10.216 -8.525 234 HG2 GLU 34 1HG GLU 34 0.576 11.137 -7.896 235 HG3 GLU 34 2HG GLU 34 1.303 9.722 -8.647 236 H LEU 35 H LEU 35 -1.769 6.782 -6.930 237 HA LEU 35 HA LEU 35 -4.583 7.320 -6.569 238 HB2 LEU 35 1HB LEU 35 -3.392 5.287 -7.705 239 HB3 LEU 35 2HB LEU 35 -3.207 4.673 -6.056 240 HG LEU 35 HG LEU 35 -5.782 4.996 -5.915 241 HD11 LEU 35 1HD1 LEU 35 -6.978 4.772 -8.040 242 HD12 LEU 35 2HD1 LEU 35 -5.447 4.912 -8.931 243 HD13 LEU 35 3HD1 LEU 35 -6.067 6.289 -7.994 244 HD21 LEU 35 1HD2 LEU 35 -6.160 2.771 -6.870 245 HD22 LEU 35 2HD2 LEU 35 -4.674 2.819 -5.916 246 HD23 LEU 35 3HD2 LEU 35 -4.582 2.852 -7.695 247 H PHE 36 H PHE 36 -1.965 6.443 -4.298 248 HA PHE 36 HA PHE 36 -3.848 6.059 -2.062 249 HB2 PHE 36 1HB PHE 36 -0.913 5.585 -2.511 250 HB3 PHE 36 2HB PHE 36 -1.521 5.696 -0.905 251 HD1 PHE 36 1HD PHE 36 -2.096 3.710 0.181 252 HD2 PHE 36 2HD PHE 36 -2.448 3.883 -4.102 253 HE1 PHE 36 1HE PHE 36 -2.800 1.332 0.139 254 HE2 PHE 36 2HE PHE 36 -3.067 1.488 -4.153 255 HZ PHE 36 HZ PHE 36 -3.303 0.220 -2.027 256 H LEU 37 H LEU 37 -2.060 8.739 -3.322 257 HA LEU 37 HA LEU 37 -1.786 10.402 -1.081 258 HB2 LEU 37 1HB LEU 37 -2.670 10.942 -3.933 259 HB3 LEU 37 2HB LEU 37 -2.496 12.249 -2.762 260 HG LEU 37 HG LEU 37 -0.255 10.456 -3.732 261 HD11 LEU 37 1HD1 LEU 37 0.586 12.481 -4.780 262 HD12 LEU 37 2HD1 LEU 37 -0.772 13.422 -4.123 263 HD13 LEU 37 3HD1 LEU 37 -1.065 12.170 -5.345 264 HD21 LEU 37 1HD2 LEU 37 0.176 11.052 -1.424 265 HD22 LEU 37 2HD2 LEU 37 -0.228 12.752 -1.746 266 HD23 LEU 37 3HD2 LEU 37 1.220 12.011 -2.479 267 H GLN 38 H GLN 38 -4.753 9.255 -2.412 268 HA GLN 38 HA GLN 38 -6.612 11.168 -1.363 269 HB2 GLN 38 1HB GLN 38 -7.026 8.173 -1.784 270 HB3 GLN 38 2HB GLN 38 -8.285 9.413 -1.669 271 HG2 GLN 38 1HG GLN 38 -7.344 10.497 -3.739 272 HG3 GLN 38 2HG GLN 38 -6.172 9.166 -3.824 273 HE21 GLN 38 1HE2 GLN 38 -6.871 7.088 -4.494 274 HE22 GLN 38 2HE2 GLN 38 -8.483 6.836 -5.188 275 H ALA 39 H ALA 39 -4.966 8.419 0.137 276 HA ALA 39 HA ALA 39 -6.587 8.489 2.585 277 HB1 ALA 39 1HB ALA 39 -3.982 7.070 1.893 278 HB2 ALA 39 2HB ALA 39 -4.946 6.801 3.355 279 HB3 ALA 39 3HB ALA 39 -5.607 6.384 1.759 280 H GLY 40 H GLY 40 -3.268 9.464 1.666 281 HA2 GLY 40 1HA GLY 40 -3.179 11.781 3.326 282 HA3 GLY 40 2HA GLY 40 -2.395 10.437 4.163 283 HA PRO 41 HA PRO 41 0.621 12.604 1.276 284 HB2 PRO 41 1HB PRO 41 2.605 13.131 3.108 285 HB3 PRO 41 2HB PRO 41 1.204 14.203 2.810 286 HG2 PRO 41 1HG PRO 41 1.501 12.102 4.977 287 HG3 PRO 41 2HG PRO 41 0.983 13.806 5.161 288 HD2 PRO 41 1HD PRO 41 -0.792 11.756 4.997 289 HD3 PRO 41 2HD PRO 41 -1.155 13.305 4.184 290 H VAL 42 H VAL 42 1.385 11.044 0.049 291 HA VAL 42 HA VAL 42 2.787 8.672 1.113 292 HB VAL 42 HB VAL 42 2.100 9.435 -1.741 293 HG11 VAL 42 1HG1 VAL 42 2.676 7.050 -2.229 294 HG12 VAL 42 2HG1 VAL 42 4.080 7.973 -1.717 295 HG13 VAL 42 3HG1 VAL 42 3.283 6.873 -0.573 296 HG21 VAL 42 1HG2 VAL 42 0.865 7.349 0.103 297 HG22 VAL 42 2HG2 VAL 42 0.092 8.867 -0.400 298 HG23 VAL 42 3HG2 VAL 42 0.445 7.626 -1.602 299 H VAL 43 H VAL 43 4.854 8.418 1.152 300 HA VAL 43 HA VAL 43 6.671 10.667 0.437 301 HB VAL 43 HB VAL 43 7.186 8.330 2.315 302 HG11 VAL 43 1HG1 VAL 43 9.198 9.618 1.724 303 HG12 VAL 43 2HG1 VAL 43 8.375 11.134 2.178 304 HG13 VAL 43 3HG1 VAL 43 8.748 9.915 3.409 305 HG21 VAL 43 1HG2 VAL 43 6.568 9.796 4.184 306 HG22 VAL 43 2HG2 VAL 43 5.979 11.032 3.040 307 HG23 VAL 43 3HG2 VAL 43 5.186 9.443 3.155 308 H ASN 44 H ASN 44 6.187 7.202 -0.042 309 HA ASN 44 HA ASN 44 8.116 7.003 -2.215 310 HB2 ASN 44 1HB ASN 44 9.669 6.930 -0.359 311 HB3 ASN 44 2HB ASN 44 8.659 5.830 0.543 312 HD21 ASN 44 1HD2 ASN 44 9.722 3.919 0.707 313 HD22 ASN 44 2HD2 ASN 44 10.489 3.105 -0.667 314 H THR 45 H THR 45 8.175 4.704 -3.049 315 HA THR 45 HA THR 45 5.911 2.938 -2.346 316 HB THR 45 HB THR 45 5.545 2.551 -4.866 317 HG1 THR 45 1HG THR 45 6.694 5.126 -4.904 318 HG21 THR 45 1HG2 THR 45 3.838 3.595 -3.442 319 HG22 THR 45 2HG2 THR 45 3.837 4.162 -5.111 320 HG23 THR 45 3HG2 THR 45 4.516 5.196 -3.819 321 H HIS 46 H HIS 46 6.188 0.734 -3.227 322 HA HIS 46 HA HIS 46 8.785 0.145 -4.502 323 HB2 HIS 46 1HB HIS 46 9.125 -0.107 -1.994 324 HB3 HIS 46 2HB HIS 46 7.874 -1.325 -2.007 325 HD2 HIS 46 2HD HIS 46 9.471 -3.291 -1.247 326 HE1 HIS 46 1HE HIS 46 11.941 -3.414 -4.725 327 HE2 HIS 46 2HE HIS 46 11.348 -4.604 -2.552 328 H MET 47 H MET 47 8.712 -1.593 -5.850 329 HA MET 47 HA MET 47 6.441 -3.502 -5.800 330 HB2 MET 47 1HB MET 47 7.104 -1.706 -8.134 331 HB3 MET 47 2HB MET 47 6.477 -3.321 -8.417 332 HG2 MET 47 1HG MET 47 4.998 -1.461 -6.550 333 HG3 MET 47 2HG MET 47 4.833 -1.327 -8.288 334 HE1 MET 47 1HE MET 47 2.069 -3.482 -9.097 335 HE2 MET 47 2HE MET 47 2.463 -1.797 -8.663 336 HE3 MET 47 3HE MET 47 3.509 -2.694 -9.789 337 HA PRO 48 HA PRO 48 10.386 -5.800 -6.280 338 HB2 PRO 48 1HB PRO 48 8.341 -7.950 -5.673 339 HB3 PRO 48 2HB PRO 48 10.048 -7.830 -5.127 340 HG2 PRO 48 1HG PRO 48 8.075 -7.114 -3.444 341 HG3 PRO 48 2HG PRO 48 9.498 -6.043 -3.612 342 HD2 PRO 48 1HD PRO 48 6.785 -5.780 -4.944 343 HD3 PRO 48 2HD PRO 48 7.747 -4.514 -4.115 344 H LYS 49 H LYS 49 11.146 -6.723 -8.149 345 HA LYS 49 HA LYS 49 9.203 -7.079 -10.391 346 HB2 LYS 49 1HB LYS 49 12.125 -6.290 -10.572 347 HB3 LYS 49 2HB LYS 49 10.972 -6.380 -11.894 348 HG2 LYS 49 1HG LYS 49 11.001 -4.364 -9.627 349 HG3 LYS 49 2HG LYS 49 11.379 -4.087 -11.327 350 HD2 LYS 49 1HD LYS 49 8.966 -4.750 -11.865 351 HD3 LYS 49 2HD LYS 49 8.648 -4.696 -10.129 352 HE2 LYS 49 1HE LYS 49 9.496 -2.402 -11.950 353 HE3 LYS 49 2HE LYS 49 7.954 -2.610 -11.120 354 HZ1 LYS 49 1HZ LYS 49 9.352 -2.513 -8.998 355 HZ2 LYS 49 2HZ LYS 49 9.135 -1.091 -9.785 356 HZ3 LYS 49 3HZ LYS 49 10.556 -1.903 -9.916 357 H ASP 50 H ASP 50 9.360 -8.643 -11.851 358 HA ASP 50 HA ASP 50 10.564 -11.196 -11.211 359 HB2 ASP 50 1HB ASP 50 8.436 -10.975 -12.429 360 HB3 ASP 50 2HB ASP 50 9.239 -10.084 -13.717 361 H ARG 51 H ARG 51 12.303 -12.245 -12.191 362 HA ARG 51 HA ARG 51 14.413 -10.465 -13.197 363 HB2 ARG 51 1HB ARG 51 15.959 -12.158 -12.587 364 HB3 ARG 51 2HB ARG 51 14.812 -11.902 -11.276 365 HG2 ARG 51 1HG ARG 51 13.576 -13.970 -11.967 366 HG3 ARG 51 2HG ARG 51 14.729 -14.199 -13.291 367 HD2 ARG 51 1HD ARG 51 15.383 -15.643 -11.501 368 HD3 ARG 51 2HD ARG 51 16.584 -14.371 -11.655 369 HE ARG 51 HE ARG 51 16.011 -13.528 -9.561 370 HH11 ARG 51 1HH1 ARG 51 13.638 -15.985 -10.363 371 HH12 ARG 51 2HH1 ARG 51 12.986 -16.004 -8.747 372 HH21 ARG 51 1HH2 ARG 51 15.128 -13.606 -7.532 373 HH22 ARG 51 2HH2 ARG 51 13.815 -14.693 -7.192 374 H VAL 52 H VAL 52 12.144 -11.812 -15.000 375 HA VAL 52 HA VAL 52 14.001 -12.539 -17.249 376 HB VAL 52 HB VAL 52 11.369 -13.924 -16.590 377 HG11 VAL 52 1HG1 VAL 52 13.502 -14.525 -18.684 378 HG12 VAL 52 2HG1 VAL 52 12.093 -15.546 -18.323 379 HG13 VAL 52 3HG1 VAL 52 11.852 -13.938 -18.999 380 HG21 VAL 52 1HG2 VAL 52 12.785 -15.927 -16.114 381 HG22 VAL 52 2HG2 VAL 52 14.233 -14.898 -16.210 382 HG23 VAL 52 3HG2 VAL 52 13.010 -14.636 -14.940 383 H THR 53 H THR 53 10.840 -11.267 -16.246 384 HA THR 53 HA THR 53 10.405 -10.095 -18.952 385 HB THR 53 HB THR 53 8.037 -10.029 -18.374 386 HG1 THR 53 1HG THR 53 8.808 -11.364 -15.992 387 HG21 THR 53 1HG2 THR 53 9.134 -12.812 -17.787 388 HG22 THR 53 2HG2 THR 53 8.899 -12.117 -19.407 389 HG23 THR 53 3HG2 THR 53 7.502 -12.393 -18.350 390 H GLY 54 H GLY 54 11.134 -9.303 -15.702 391 HA2 GLY 54 1HA GLY 54 11.607 -7.320 -14.712 392 HA3 GLY 54 2HA GLY 54 11.359 -6.535 -16.273 393 H GLN 55 H GLN 55 8.542 -8.202 -15.446 394 HA GLN 55 HA GLN 55 7.074 -5.748 -14.778 395 HB2 GLN 55 1HB GLN 55 6.051 -8.609 -14.928 396 HB3 GLN 55 2HB GLN 55 5.098 -7.126 -14.972 397 HG2 GLN 55 1HG GLN 55 6.960 -8.203 -17.123 398 HG3 GLN 55 2HG GLN 55 5.218 -8.021 -17.206 399 HE21 GLN 55 1HE2 GLN 55 8.176 -6.553 -18.068 400 HE22 GLN 55 2HE2 GLN 55 7.523 -4.951 -18.410 401 H HIS 56 H HIS 56 5.470 -5.798 -12.876 402 HA HIS 56 HA HIS 56 6.914 -6.443 -10.440 403 HB2 HIS 56 1HB HIS 56 5.108 -5.513 -9.243 404 HB3 HIS 56 2HB HIS 56 5.407 -4.483 -10.636 405 HD2 HIS 56 2HD HIS 56 3.344 -4.031 -12.230 406 HE1 HIS 56 1HE HIS 56 0.577 -6.764 -10.497 407 HE2 HIS 56 2HE HIS 56 0.836 -4.863 -12.147 408 H GLN 57 H GLN 57 6.267 -7.843 -8.749 409 HA GLN 57 HA GLN 57 5.543 -10.472 -9.778 410 HB2 GLN 57 1HB GLN 57 6.574 -9.527 -7.085 411 HB3 GLN 57 2HB GLN 57 6.278 -11.222 -7.495 412 HG2 GLN 57 1HG GLN 57 7.869 -11.082 -9.381 413 HG3 GLN 57 2HG GLN 57 8.210 -9.399 -8.984 414 HE21 GLN 57 1HE2 GLN 57 8.468 -12.760 -7.703 415 HE22 GLN 57 2HE2 GLN 57 9.790 -12.369 -6.612 416 H GLY 58 H GLY 58 3.306 -8.429 -9.404 417 HA2 GLY 58 1HA GLY 58 1.025 -8.794 -9.149 418 HA3 GLY 58 2HA GLY 58 1.330 -10.292 -8.275 419 H TYR 59 H TYR 59 3.237 -8.012 -6.783 420 HA TYR 59 HA TYR 59 1.166 -6.780 -5.110 421 HB2 TYR 59 1HB TYR 59 2.066 -7.557 -3.031 422 HB3 TYR 59 2HB TYR 59 1.623 -8.941 -4.008 423 HD1 TYR 59 1HD TYR 59 4.339 -7.191 -2.298 424 HD2 TYR 59 2HD TYR 59 3.418 -10.334 -5.109 425 HE1 TYR 59 1HE TYR 59 6.599 -8.182 -1.946 426 HE2 TYR 59 2HE TYR 59 5.698 -11.277 -4.808 427 HH TYR 59 HH TYR 59 7.707 -11.096 -3.709 428 H GLY 60 H GLY 60 1.878 -5.064 -3.859 429 HA2 GLY 60 1HA GLY 60 4.524 -3.811 -4.438 430 HA3 GLY 60 2HA GLY 60 3.047 -2.963 -4.848 431 H PHE 61 H PHE 61 4.484 -1.573 -3.251 432 HA PHE 61 HA PHE 61 3.056 -1.608 -0.659 433 HB2 PHE 61 1HB PHE 61 6.047 -1.156 -0.902 434 HB3 PHE 61 2HB PHE 61 5.110 -1.088 0.561 435 HD1 PHE 61 1HD PHE 61 4.604 -3.057 1.838 436 HD2 PHE 61 2HD PHE 61 6.478 -3.383 -2.029 437 HE1 PHE 61 1HE PHE 61 5.186 -5.428 2.319 438 HE2 PHE 61 2HE PHE 61 7.040 -5.755 -1.558 439 HZ PHE 61 HZ PHE 61 6.394 -6.781 0.617 440 H VAL 62 H VAL 62 2.929 0.408 0.378 441 HA VAL 62 HA VAL 62 3.862 2.823 -1.110 442 HB VAL 62 HB VAL 62 1.060 2.600 0.050 443 HG11 VAL 62 1HG1 VAL 62 2.415 4.710 -1.669 444 HG12 VAL 62 2HG1 VAL 62 0.717 4.714 -1.157 445 HG13 VAL 62 3HG1 VAL 62 1.977 4.876 0.052 446 HG21 VAL 62 1HG2 VAL 62 1.963 2.408 -2.845 447 HG22 VAL 62 2HG2 VAL 62 1.080 1.181 -1.913 448 HG23 VAL 62 3HG2 VAL 62 0.287 2.699 -2.330 449 H GLU 63 H GLU 63 4.724 4.369 0.194 450 HA GLU 63 HA GLU 63 4.755 3.824 3.138 451 HB2 GLU 63 1HB GLU 63 6.859 3.581 1.820 452 HB3 GLU 63 2HB GLU 63 6.738 5.305 1.410 453 HG2 GLU 63 1HG GLU 63 6.881 5.915 3.780 454 HG3 GLU 63 2HG GLU 63 6.955 4.209 4.238 455 H PHE 64 H PHE 64 3.625 5.176 4.359 456 HA PHE 64 HA PHE 64 2.956 7.901 3.397 457 HB2 PHE 64 1HB PHE 64 1.860 6.136 5.610 458 HB3 PHE 64 2HB PHE 64 1.425 7.823 5.415 459 HD1 PHE 64 1HD PHE 64 0.176 8.646 3.507 460 HD2 PHE 64 2HD PHE 64 1.066 4.452 3.944 461 HE1 PHE 64 1HE PHE 64 -1.542 8.094 1.785 462 HE2 PHE 64 2HE PHE 64 -0.654 3.908 2.231 463 HZ PHE 64 HZ PHE 64 -1.981 5.753 1.180 464 H LEU 65 H LEU 65 3.026 9.690 4.861 465 HA LEU 65 HA LEU 65 5.533 10.049 6.144 466 HB2 LEU 65 1HB LEU 65 3.895 11.781 5.148 467 HB3 LEU 65 2HB LEU 65 2.995 11.627 6.664 468 HG LEU 65 HG LEU 65 5.179 12.275 7.861 469 HD11 LEU 65 1HD1 LEU 65 5.925 13.119 5.023 470 HD12 LEU 65 2HD1 LEU 65 6.760 11.885 5.994 471 HD13 LEU 65 3HD1 LEU 65 6.797 13.577 6.503 472 HD21 LEU 65 1HD2 LEU 65 3.898 14.281 5.950 473 HD22 LEU 65 2HD2 LEU 65 4.834 14.682 7.410 474 HD23 LEU 65 3HD2 LEU 65 3.288 13.834 7.559 475 H SER 66 H SER 66 2.411 9.032 7.473 476 HA SER 66 HA SER 66 3.687 8.394 10.081 477 HB2 SER 66 1HB SER 66 1.076 9.932 9.864 478 HB3 SER 66 2HB SER 66 1.921 9.449 11.339 479 HG SER 66 HG SER 66 2.286 11.651 10.802 480 H GLU 67 H GLU 67 2.508 6.898 11.372 481 HA GLU 67 HA GLU 67 1.388 4.711 9.950 482 HB2 GLU 67 1HB GLU 67 2.586 4.582 12.078 483 HB3 GLU 67 2HB GLU 67 1.257 5.419 12.902 484 HG2 GLU 67 1HG GLU 67 -0.259 3.520 12.353 485 HG3 GLU 67 2HG GLU 67 1.055 2.733 11.473 486 H GLU 68 H GLU 68 -0.283 7.411 11.601 487 HA GLU 68 HA GLU 68 -2.906 6.237 11.419 488 HB2 GLU 68 1HB GLU 68 -3.740 8.429 12.008 489 HB3 GLU 68 2HB GLU 68 -2.357 8.002 13.014 490 HG2 GLU 68 1HG GLU 68 -0.895 9.444 11.568 491 HG3 GLU 68 2HG GLU 68 -2.315 9.906 10.627 492 H ASP 69 H ASP 69 -0.960 7.865 9.025 493 HA ASP 69 HA ASP 69 -3.206 8.296 7.152 494 HB2 ASP 69 1HB ASP 69 -0.191 8.557 6.878 495 HB3 ASP 69 2HB ASP 69 -1.330 8.899 5.590 496 H ALA 70 H ALA 70 -0.681 5.865 7.798 497 HA ALA 70 HA ALA 70 -1.231 4.250 5.451 498 HB1 ALA 70 1HB ALA 70 0.071 3.581 8.136 499 HB2 ALA 70 2HB ALA 70 0.114 2.564 6.694 500 HB3 ALA 70 3HB ALA 70 0.900 4.155 6.674 501 H ASP 71 H ASP 71 -2.333 4.106 8.879 502 HA ASP 71 HA ASP 71 -4.055 1.878 8.700 503 HB2 ASP 71 1HB ASP 71 -3.345 3.014 10.777 504 HB3 ASP 71 2HB ASP 71 -4.333 4.413 10.356 505 H TYR 72 H TYR 72 -4.675 5.255 7.732 506 HA TYR 72 HA TYR 72 -7.482 4.822 7.145 507 HB2 TYR 72 1HB TYR 72 -6.346 7.038 7.652 508 HB3 TYR 72 2HB TYR 72 -5.692 6.999 6.021 509 HD1 TYR 72 1HD TYR 72 -8.611 7.659 8.103 510 HD2 TYR 72 2HD TYR 72 -7.332 6.963 4.045 511 HE1 TYR 72 1HE TYR 72 -10.738 8.639 7.263 512 HE2 TYR 72 2HE TYR 72 -9.447 7.974 3.204 513 HH TYR 72 HH TYR 72 -11.983 9.200 5.421 514 H ALA 73 H ALA 73 -4.468 4.579 5.169 515 HA ALA 73 HA ALA 73 -5.859 4.186 2.659 516 HB1 ALA 73 1HB ALA 73 -3.679 3.482 1.855 517 HB2 ALA 73 2HB ALA 73 -3.488 4.913 2.883 518 HB3 ALA 73 3HB ALA 73 -3.063 3.311 3.513 519 H ILE 74 H ILE 74 -4.713 1.958 5.206 520 HA ILE 74 HA ILE 74 -5.525 -0.484 3.930 521 HB ILE 74 HB ILE 74 -5.309 0.207 6.888 522 HG12 ILE 74 1HG1 ILE 74 -3.282 -1.270 5.156 523 HG13 ILE 74 2HG1 ILE 74 -3.216 0.469 5.384 524 HG21 ILE 74 1HG2 ILE 74 -6.637 -1.834 6.630 525 HG22 ILE 74 2HG2 ILE 74 -5.482 -2.484 5.458 526 HG23 ILE 74 3HG2 ILE 74 -5.031 -2.307 7.163 527 HD11 ILE 74 1HD1 ILE 74 -2.961 0.203 7.803 528 HD12 ILE 74 2HD1 ILE 74 -3.007 -1.566 7.626 529 HD13 ILE 74 3HD1 ILE 74 -1.694 -0.631 6.895 530 H LYS 75 H LYS 75 -7.356 1.934 5.780 531 HA LYS 75 HA LYS 75 -9.787 0.377 5.989 532 HB2 LYS 75 1HB LYS 75 -9.234 2.220 7.516 533 HB3 LYS 75 2HB LYS 75 -9.346 3.386 6.193 534 HG2 LYS 75 1HG LYS 75 -11.717 2.917 5.890 535 HG3 LYS 75 2HG LYS 75 -11.637 1.626 7.105 536 HD2 LYS 75 1HD LYS 75 -11.042 3.316 8.844 537 HD3 LYS 75 2HD LYS 75 -11.042 4.580 7.608 538 HE2 LYS 75 1HE LYS 75 -13.110 4.754 8.783 539 HE3 LYS 75 2HE LYS 75 -13.462 4.140 7.166 540 HZ1 LYS 75 1HZ LYS 75 -13.650 1.904 8.135 541 HZ2 LYS 75 2HZ LYS 75 -14.670 2.920 8.898 542 HZ3 LYS 75 3HZ LYS 75 -13.284 2.471 9.627 543 H ILE 76 H ILE 76 -8.731 2.870 3.585 544 HA ILE 76 HA ILE 76 -11.265 2.499 2.161 545 HB ILE 76 HB ILE 76 -10.464 4.222 0.639 546 HG12 ILE 76 1HG1 ILE 76 -8.146 4.804 2.497 547 HG13 ILE 76 2HG1 ILE 76 -7.927 3.795 1.086 548 HG21 ILE 76 1HG2 ILE 76 -11.791 4.677 2.726 549 HG22 ILE 76 2HG2 ILE 76 -10.267 5.004 3.584 550 HG23 ILE 76 3HG2 ILE 76 -10.781 6.042 2.242 551 HD11 ILE 76 1HD1 ILE 76 -8.892 5.675 -0.309 552 HD12 ILE 76 2HD1 ILE 76 -8.825 6.683 1.163 553 HD13 ILE 76 3HD1 ILE 76 -7.339 6.010 0.464 554 H MET 77 H MET 77 -7.854 1.615 1.431 555 HA MET 77 HA MET 77 -8.616 0.884 -1.304 556 HB2 MET 77 1HB MET 77 -6.001 0.963 0.128 557 HB3 MET 77 2HB MET 77 -6.145 0.388 -1.525 558 HG2 MET 77 1HG MET 77 -7.146 3.123 -0.704 559 HG3 MET 77 2HG MET 77 -5.488 2.840 -1.162 560 HE1 MET 77 1HE MET 77 -5.342 4.350 -3.516 561 HE2 MET 77 2HE MET 77 -6.950 4.784 -4.139 562 HE3 MET 77 3HE MET 77 -6.606 4.966 -2.414 563 H ASP 78 H ASP 78 -9.124 -0.809 1.343 564 HA ASP 78 HA ASP 78 -8.012 -3.361 0.376 565 HB2 ASP 78 1HB ASP 78 -7.843 -2.874 2.768 566 HB3 ASP 78 2HB ASP 78 -9.606 -2.850 2.907 567 H MET 79 H MET 79 -9.012 -4.921 -0.620 568 HA MET 79 HA MET 79 -10.385 -5.939 -1.985 569 HB2 MET 79 1HB MET 79 -11.623 -6.216 0.263 570 HB3 MET 79 2HB MET 79 -12.837 -5.138 -0.432 571 HG2 MET 79 1HG MET 79 -13.153 -6.693 -2.312 572 HG3 MET 79 2HG MET 79 -11.832 -7.708 -1.739 573 HE1 MET 79 1HE MET 79 -12.257 -8.088 1.377 574 HE2 MET 79 2HE MET 79 -13.279 -9.537 1.346 575 HE3 MET 79 3HE MET 79 -11.932 -9.381 0.200 576 H ILE 80 H ILE 80 -9.837 -2.981 -2.336 577 HA ILE 80 HA ILE 80 -11.969 -2.096 -4.141 578 HB ILE 80 HB ILE 80 -9.375 -0.988 -3.158 579 HG12 ILE 80 1HG1 ILE 80 -12.236 -0.023 -3.492 580 HG13 ILE 80 2HG1 ILE 80 -11.358 -0.370 -2.003 581 HG21 ILE 80 1HG2 ILE 80 -10.560 0.032 -5.746 582 HG22 ILE 80 2HG2 ILE 80 -9.236 0.765 -4.778 583 HG23 ILE 80 3HG2 ILE 80 -8.981 -0.783 -5.536 584 HD11 ILE 80 1HD1 ILE 80 -9.860 1.641 -2.586 585 HD12 ILE 80 2HD1 ILE 80 -11.011 2.004 -3.881 586 HD13 ILE 80 3HD1 ILE 80 -11.552 2.010 -2.200 587 H LYS 81 H LYS 81 -12.003 -2.104 -6.328 588 HA LYS 81 HA LYS 81 -10.417 -4.293 -7.549 589 HB2 LYS 81 1HB LYS 81 -13.039 -3.007 -8.322 590 HB3 LYS 81 2HB LYS 81 -12.230 -4.316 -9.220 591 HG2 LYS 81 1HG LYS 81 -12.287 -5.700 -7.090 592 HG3 LYS 81 2HG LYS 81 -13.292 -4.441 -6.364 593 HD2 LYS 81 1HD LYS 81 -14.849 -6.027 -7.086 594 HD3 LYS 81 2HD LYS 81 -14.890 -4.808 -8.369 595 HE2 LYS 81 1HE LYS 81 -13.212 -6.259 -9.641 596 HE3 LYS 81 2HE LYS 81 -13.408 -7.480 -8.384 597 HZ1 LYS 81 1HZ LYS 81 -14.875 -7.918 -10.268 598 HZ2 LYS 81 2HZ LYS 81 -15.605 -6.467 -10.112 599 HZ3 LYS 81 3HZ LYS 81 -15.777 -7.598 -8.946 600 H LEU 82 H LEU 82 -8.627 -2.676 -7.539 601 HA LEU 82 HA LEU 82 -8.461 -0.611 -9.521 602 HB2 LEU 82 1HB LEU 82 -6.891 -0.905 -7.608 603 HB3 LEU 82 2HB LEU 82 -6.275 -2.385 -8.340 604 HG LEU 82 HG LEU 82 -5.336 -1.117 -10.217 605 HD11 LEU 82 1HD1 LEU 82 -5.317 1.401 -10.108 606 HD12 LEU 82 2HD1 LEU 82 -6.551 1.316 -8.838 607 HD13 LEU 82 3HD1 LEU 82 -6.901 0.730 -10.481 608 HD21 LEU 82 1HD2 LEU 82 -4.010 -1.385 -8.142 609 HD22 LEU 82 2HD2 LEU 82 -4.673 0.137 -7.514 610 HD23 LEU 82 3HD2 LEU 82 -3.631 0.145 -8.951 611 H TYR 83 H TYR 83 -8.302 -0.753 -11.766 612 HA TYR 83 HA TYR 83 -8.908 -1.804 -13.699 613 HB2 TYR 83 1HB TYR 83 -6.357 -3.311 -13.090 614 HB3 TYR 83 2HB TYR 83 -7.093 -3.149 -14.676 615 HD1 TYR 83 1HD TYR 83 -4.592 -1.849 -12.621 616 HD2 TYR 83 2HD TYR 83 -7.625 -0.619 -15.428 617 HE1 TYR 83 1HE TYR 83 -3.268 0.186 -13.156 618 HE2 TYR 83 2HE TYR 83 -6.304 1.431 -15.949 619 HH TYR 83 HH TYR 83 -3.132 2.095 -14.427 620 H GLY 84 H GLY 84 -10.376 -3.134 -11.528 621 HA2 GLY 84 1HA GLY 84 -12.052 -4.704 -11.666 622 HA3 GLY 84 2HA GLY 84 -11.359 -5.338 -13.150 623 H LYS 85 H LYS 85 -9.232 -5.321 -10.375 624 HA LYS 85 HA LYS 85 -9.732 -8.157 -9.727 625 HB2 LYS 85 1HB LYS 85 -7.072 -6.808 -10.288 626 HB3 LYS 85 2HB LYS 85 -7.219 -8.315 -9.370 627 HG2 LYS 85 1HG LYS 85 -8.313 -9.428 -11.263 628 HG3 LYS 85 2HG LYS 85 -8.270 -7.926 -12.195 629 HD2 LYS 85 1HD LYS 85 -5.749 -7.964 -12.062 630 HD3 LYS 85 2HD LYS 85 -5.853 -9.484 -11.170 631 HE2 LYS 85 1HE LYS 85 -5.354 -10.053 -13.426 632 HE3 LYS 85 2HE LYS 85 -7.033 -10.519 -13.137 633 HZ1 LYS 85 1HZ LYS 85 -7.714 -8.474 -14.293 634 HZ2 LYS 85 2HZ LYS 85 -6.733 -9.346 -15.266 635 HZ3 LYS 85 3HZ LYS 85 -6.153 -8.018 -14.503 636 HA PRO 86 HA PRO 86 -10.128 -5.877 -5.883 637 HB2 PRO 86 1HB PRO 86 -10.797 -7.945 -4.199 638 HB3 PRO 86 2HB PRO 86 -11.908 -7.197 -5.387 639 HG2 PRO 86 1HG PRO 86 -10.291 -9.734 -5.689 640 HG3 PRO 86 2HG PRO 86 -12.012 -9.452 -6.107 641 HD2 PRO 86 1HD PRO 86 -10.025 -9.354 -7.979 642 HD3 PRO 86 2HD PRO 86 -11.410 -8.221 -8.075 643 H ILE 87 H ILE 87 -8.282 -5.035 -5.166 644 HA ILE 87 HA ILE 87 -5.949 -6.633 -4.481 645 HB ILE 87 HB ILE 87 -4.773 -4.637 -4.114 646 HG12 ILE 87 1HG1 ILE 87 -7.443 -3.197 -3.933 647 HG13 ILE 87 2HG1 ILE 87 -6.207 -3.383 -2.697 648 HG21 ILE 87 1HG2 ILE 87 -5.052 -3.510 -6.269 649 HG22 ILE 87 2HG2 ILE 87 -5.355 -5.238 -6.476 650 HG23 ILE 87 3HG2 ILE 87 -6.711 -4.094 -6.417 651 HD11 ILE 87 1HD1 ILE 87 -4.648 -2.028 -4.117 652 HD12 ILE 87 2HD1 ILE 87 -6.019 -1.686 -5.200 653 HD13 ILE 87 3HD1 ILE 87 -6.069 -1.150 -3.513 654 H ARG 88 H ARG 88 -4.996 -6.843 -2.422 655 HA ARG 88 HA ARG 88 -6.807 -6.289 -0.092 656 HB2 ARG 88 1HB ARG 88 -4.879 -8.617 -0.353 657 HB3 ARG 88 2HB ARG 88 -5.823 -8.206 1.075 658 HG2 ARG 88 1HG ARG 88 -6.846 -9.226 -1.593 659 HG3 ARG 88 2HG ARG 88 -6.913 -10.022 -0.027 660 HD2 ARG 88 1HD ARG 88 -8.537 -7.635 -0.971 661 HD3 ARG 88 2HD ARG 88 -9.127 -9.239 -0.607 662 HE ARG 88 HE ARG 88 -8.440 -7.080 1.302 663 HH11 ARG 88 1HH1 ARG 88 -9.143 -10.518 1.149 664 HH12 ARG 88 2HH1 ARG 88 -9.736 -10.540 2.787 665 HH21 ARG 88 1HH2 ARG 88 -9.338 -7.137 3.254 666 HH22 ARG 88 2HH2 ARG 88 -9.797 -8.666 3.979 667 H VAL 89 H VAL 89 -6.074 -5.190 1.560 668 HA VAL 89 HA VAL 89 -3.253 -4.208 1.414 669 HB VAL 89 HB VAL 89 -5.686 -2.478 1.952 670 HG11 VAL 89 1HG1 VAL 89 -2.770 -1.734 1.451 671 HG12 VAL 89 2HG1 VAL 89 -4.122 -0.600 1.669 672 HG13 VAL 89 3HG1 VAL 89 -3.611 -1.625 3.007 673 HG21 VAL 89 1HG2 VAL 89 -3.959 -2.776 -0.538 674 HG22 VAL 89 2HG2 VAL 89 -5.694 -3.125 -0.405 675 HG23 VAL 89 3HG2 VAL 89 -5.122 -1.463 -0.280 676 H ASN 90 H ASN 90 -2.143 -3.935 3.256 677 HA ASN 90 HA ASN 90 -3.399 -3.598 5.833 678 HB2 ASN 90 1HB ASN 90 -3.334 -6.233 5.231 679 HB3 ASN 90 2HB ASN 90 -1.672 -6.064 5.772 680 HD21 ASN 90 1HD2 ASN 90 -5.080 -5.799 6.702 681 HD22 ASN 90 2HD2 ASN 90 -4.773 -5.781 8.435 682 H LYS 91 H LYS 91 -1.416 -3.935 7.591 683 HA LYS 91 HA LYS 91 0.622 -1.948 6.999 684 HB2 LYS 91 1HB LYS 91 0.594 -4.108 9.148 685 HB3 LYS 91 2HB LYS 91 1.550 -2.631 9.168 686 HG2 LYS 91 1HG LYS 91 -1.502 -2.682 9.270 687 HG3 LYS 91 2HG LYS 91 -0.494 -2.739 10.693 688 HD2 LYS 91 1HD LYS 91 -0.213 -0.483 8.675 689 HD3 LYS 91 2HD LYS 91 -1.460 -0.447 9.915 690 HE2 LYS 91 1HE LYS 91 1.534 -0.688 10.462 691 HE3 LYS 91 2HE LYS 91 0.616 0.815 10.479 692 HZ1 LYS 91 1HZ LYS 91 -0.791 -0.207 12.256 693 HZ2 LYS 91 2HZ LYS 91 0.747 0.083 12.702 694 HZ3 LYS 91 3HZ LYS 91 0.273 -1.452 12.357 695 H ALA 92 H ALA 92 2.818 -2.255 6.407 696 HA ALA 92 HA ALA 92 3.513 -4.706 5.036 697 HB1 ALA 92 1HB ALA 92 5.704 -3.633 4.747 698 HB2 ALA 92 2HB ALA 92 4.377 -2.528 4.346 699 HB3 ALA 92 3HB ALA 92 5.239 -2.359 5.892 700 H SER 93 H SER 93 4.082 -3.539 8.325 701 HA SER 93 HA SER 93 5.046 -6.276 9.096 702 HB2 SER 93 1HB SER 93 5.684 -3.578 10.333 703 HB3 SER 93 2HB SER 93 5.894 -5.121 11.185 704 HG SER 93 HG SER 93 7.819 -4.571 10.161 705 H ALA 94 H ALA 94 3.537 -7.410 10.104 706 HA ALA 94 HA ALA 94 1.303 -6.066 11.564 707 HB1 ALA 94 1HB ALA 94 0.678 -6.526 9.202 708 HB2 ALA 94 2HB ALA 94 1.081 -8.238 9.431 709 HB3 ALA 94 3HB ALA 94 -0.267 -7.506 10.328 710 H HIS 95 H HIS 95 -0.142 -7.834 12.582 711 HA HIS 95 HA HIS 95 -0.431 -9.253 14.312 712 HB2 HIS 95 1HB HIS 95 1.493 -11.005 12.770 713 HB3 HIS 95 2HB HIS 95 0.375 -11.535 14.025 714 HD2 HIS 95 2HD HIS 95 0.493 -10.572 10.353 715 HE1 HIS 95 1HE HIS 95 -3.586 -11.517 11.170 716 HE2 HIS 95 2HE HIS 95 -1.903 -11.007 9.328 717 H ASN 96 H ASN 96 1.279 -7.243 15.029 718 HA ASN 96 HA ASN 96 3.542 -8.207 16.555 719 HB2 ASN 96 1HB ASN 96 3.198 -5.875 15.597 720 HB3 ASN 96 2HB ASN 96 1.995 -5.600 16.859 721 HD21 ASN 96 1HD2 ASN 96 3.546 -3.755 17.305 722 HD22 ASN 96 2HD2 ASN 96 4.909 -4.110 18.357 723 H LYS 97 H LYS 97 3.716 -7.982 18.924 724 HA LYS 97 HA LYS 97 1.808 -9.604 20.328 725 HB2 LYS 97 1HB LYS 97 4.252 -9.493 20.780 726 HB3 LYS 97 2HB LYS 97 4.057 -7.847 21.398 727 HG2 LYS 97 1HG LYS 97 2.641 -8.687 23.244 728 HG3 LYS 97 2HG LYS 97 2.681 -10.316 22.554 729 HD2 LYS 97 1HD LYS 97 4.203 -10.210 24.418 730 HD3 LYS 97 2HD LYS 97 5.140 -10.406 22.929 731 HE2 LYS 97 1HE LYS 97 5.639 -7.969 22.922 732 HE3 LYS 97 2HE LYS 97 4.658 -7.758 24.378 733 HZ1 LYS 97 1HZ LYS 97 7.126 -9.408 24.212 734 HZ2 LYS 97 2HZ LYS 97 6.221 -9.209 25.559 735 HZ3 LYS 97 3HZ LYS 97 7.019 -7.940 24.916 736 H ASN 98 H ASN 98 0.301 -9.156 21.861 737 HA ASN 98 HA ASN 98 -0.600 -6.326 22.199 738 HB2 ASN 98 1HB ASN 98 -2.852 -7.066 22.104 739 HB3 ASN 98 2HB ASN 98 -2.041 -7.811 20.738 740 HD21 ASN 98 1HD2 ASN 98 -3.854 -8.401 23.650 741 HD22 ASN 98 2HD2 ASN 98 -3.757 -10.153 23.569 742 H LEU 99 H LEU 99 -1.959 -5.968 24.128 743 HA LEU 99 HA LEU 99 -1.046 -7.465 26.548 744 HB2 LEU 99 1HB LEU 99 -0.128 -5.165 26.351 745 HB3 LEU 99 2HB LEU 99 -1.764 -4.529 26.207 746 HG LEU 99 HG LEU 99 -2.258 -5.314 28.524 747 HD11 LEU 99 1HD1 LEU 99 -0.619 -7.152 28.748 748 HD12 LEU 99 2HD1 LEU 99 -0.382 -5.939 30.008 749 HD13 LEU 99 3HD1 LEU 99 0.713 -5.986 28.609 750 HD21 LEU 99 1HD2 LEU 99 -1.508 -3.013 28.098 751 HD22 LEU 99 2HD2 LEU 99 0.186 -3.524 28.279 752 HD23 LEU 99 3HD2 LEU 99 -0.928 -3.603 29.663 753 H SER 100 H SER 100 -2.624 -8.080 28.052 754 HA SER 100 HA SER 100 -5.311 -8.442 27.143 755 HB2 SER 100 1HB SER 100 -4.210 -8.674 29.970 756 HB3 SER 100 2HB SER 100 -5.715 -9.386 29.355 757 HG SER 100 HG SER 100 -3.981 -10.897 29.353 758 H GLY 101 H GLY 101 -3.869 -5.983 29.229 759 HA2 GLY 101 1HA GLY 101 -5.640 -3.955 28.636 760 HA3 GLY 101 2HA GLY 101 -6.303 -4.678 30.106 761 HA PRO 102 HA PRO 102 -2.553 -1.813 31.030 762 HB2 PRO 102 1HB PRO 102 -3.729 0.584 31.629 763 HB3 PRO 102 2HB PRO 102 -3.235 0.122 29.971 764 HG2 PRO 102 1HG PRO 102 -5.994 -0.104 31.220 765 HG3 PRO 102 2HG PRO 102 -5.554 0.604 29.633 766 HD2 PRO 102 1HD PRO 102 -6.466 -1.953 29.864 767 HD3 PRO 102 2HD PRO 102 -5.195 -1.526 28.678 768 H SER 103 H SER 103 -1.877 -1.546 33.126 769 HA SER 103 HA SER 103 -1.743 -2.040 35.329 770 HB2 SER 103 1HB SER 103 -4.371 -0.539 35.474 771 HB3 SER 103 2HB SER 103 -3.235 -0.809 36.808 772 HG SER 103 HG SER 103 -2.942 1.244 35.818 773 H SER 104 H SER 104 -3.019 -4.184 33.786 774 HA SER 104 HA SER 104 -5.122 -5.333 35.421 775 HB2 SER 104 1HB SER 104 -4.974 -7.227 33.840 776 HB3 SER 104 2HB SER 104 -5.183 -5.660 33.051 777 HG SER 104 HG SER 104 -3.267 -5.803 32.177 778 H GLY 105 H GLY 105 -1.740 -5.432 35.776 779 HA2 GLY 105 1HA GLY 105 -0.434 -6.405 37.435 780 HA3 GLY 105 2HA GLY 105 -1.872 -7.182 38.091 Start of MODEL 15 1 H1 GLY 1 1H GLY 1 -6.053 -16.051 15.373 2 H2 GLY 1 2H GLY 1 -4.918 -16.233 14.207 3 H3 GLY 1 3H GLY 1 -6.123 -17.336 14.355 4 HA2 GLY 1 1HA GLY 1 -6.547 -15.902 12.471 5 HA3 GLY 1 2HA GLY 1 -7.784 -15.722 13.729 6 H SER 2 H SER 2 -7.265 -13.800 11.773 7 HA SER 2 HA SER 2 -6.960 -11.615 11.377 8 HB2 SER 2 1HB SER 2 -6.995 -11.259 14.387 9 HB3 SER 2 2HB SER 2 -7.223 -9.991 13.176 10 HG SER 2 HG SER 2 -9.221 -10.823 13.959 11 H SER 3 H SER 3 -5.611 -9.617 11.668 12 HA SER 3 HA SER 3 -2.770 -10.296 11.466 13 HB2 SER 3 1HB SER 3 -4.270 -7.655 11.299 14 HB3 SER 3 2HB SER 3 -2.527 -7.834 11.055 15 HG SER 3 HG SER 3 -4.543 -9.206 9.572 16 H GLY 4 H GLY 4 -1.064 -9.216 12.654 17 HA2 GLY 4 1HA GLY 4 -1.404 -9.113 15.518 18 HA3 GLY 4 2HA GLY 4 0.024 -8.640 14.608 19 H SER 5 H SER 5 -0.680 -7.247 16.822 20 HA SER 5 HA SER 5 -2.595 -5.192 16.550 21 HB2 SER 5 1HB SER 5 -1.461 -4.350 18.662 22 HB3 SER 5 2HB SER 5 -2.081 -6.005 18.678 23 HG SER 5 HG SER 5 -0.141 -6.373 19.416 24 H SER 6 H SER 6 0.732 -5.151 15.517 25 HA SER 6 HA SER 6 2.138 -3.609 14.678 26 HB2 SER 6 1HB SER 6 1.337 -1.982 13.135 27 HB3 SER 6 2HB SER 6 0.355 -3.436 12.998 28 HG SER 6 HG SER 6 -1.047 -2.190 14.610 29 H GLY 7 H GLY 7 2.590 -0.926 14.633 30 HA2 GLY 7 1HA GLY 7 1.632 0.362 17.051 31 HA3 GLY 7 2HA GLY 7 3.298 -0.167 17.237 32 HA PRO 8 HA PRO 8 3.004 3.968 14.892 33 HB2 PRO 8 1HB PRO 8 2.701 5.923 16.731 34 HB3 PRO 8 2HB PRO 8 1.331 4.900 16.221 35 HG2 PRO 8 1HG PRO 8 3.104 4.505 18.663 36 HG3 PRO 8 2HG PRO 8 1.312 4.594 18.607 37 HD2 PRO 8 1HD PRO 8 2.661 2.210 18.557 38 HD3 PRO 8 2HD PRO 8 1.137 2.460 17.653 39 H ILE 9 H ILE 9 5.201 2.539 15.130 40 HA ILE 9 HA ILE 9 7.372 3.790 16.599 41 HB ILE 9 HB ILE 9 7.476 1.466 16.167 42 HG12 ILE 9 1HG1 ILE 9 9.603 2.729 14.432 43 HG13 ILE 9 2HG1 ILE 9 9.593 2.763 16.202 44 HG21 ILE 9 1HG2 ILE 9 7.688 0.467 13.901 45 HG22 ILE 9 2HG2 ILE 9 6.154 1.285 14.091 46 HG23 ILE 9 3HG2 ILE 9 7.453 2.065 13.176 47 HD11 ILE 9 1HD1 ILE 9 11.067 1.000 15.485 48 HD12 ILE 9 2HD1 ILE 9 9.632 0.256 16.215 49 HD13 ILE 9 3HD1 ILE 9 9.832 0.289 14.445 50 H SER 10 H SER 10 8.892 5.217 15.971 51 HA SER 10 HA SER 10 8.642 6.538 13.289 52 HB2 SER 10 1HB SER 10 9.808 7.590 15.889 53 HB3 SER 10 2HB SER 10 9.765 8.457 14.343 54 HG SER 10 HG SER 10 8.010 9.027 15.721 55 H GLU 11 H GLU 11 10.674 4.500 15.152 56 HA GLU 11 HA GLU 11 13.222 5.294 13.971 57 HB2 GLU 11 1HB GLU 11 12.354 2.958 15.720 58 HB3 GLU 11 2HB GLU 11 14.008 3.238 15.200 59 HG2 GLU 11 1HG GLU 11 13.765 4.069 17.433 60 HG3 GLU 11 2HG GLU 11 14.070 5.403 16.328 61 H ARG 12 H ARG 12 10.687 3.297 12.913 62 HA ARG 12 HA ARG 12 12.150 2.564 10.470 63 HB2 ARG 12 1HB ARG 12 12.244 0.566 12.103 64 HB3 ARG 12 2HB ARG 12 10.486 0.482 11.966 65 HG2 ARG 12 1HG ARG 12 10.848 0.267 9.416 66 HG3 ARG 12 2HG ARG 12 12.564 0.068 9.765 67 HD2 ARG 12 1HD ARG 12 10.301 -1.693 10.816 68 HD3 ARG 12 2HD ARG 12 11.339 -2.072 9.433 69 HE ARG 12 HE ARG 12 13.002 -1.593 11.694 70 HH11 ARG 12 1HH1 ARG 12 13.934 -3.255 12.839 71 HH12 ARG 12 2HH1 ARG 12 13.291 -4.865 12.717 72 HH21 ARG 12 1HH2 ARG 12 10.766 -4.058 10.526 73 HH22 ARG 12 2HH2 ARG 12 11.558 -5.309 11.451 74 H ASN 13 H ASN 13 10.767 2.738 8.677 75 HA ASN 13 HA ASN 13 8.095 3.869 9.221 76 HB2 ASN 13 1HB ASN 13 9.707 3.667 6.656 77 HB3 ASN 13 2HB ASN 13 8.129 4.421 6.790 78 HD21 ASN 13 1HD2 ASN 13 9.832 6.058 5.780 79 HD22 ASN 13 2HD2 ASN 13 10.423 7.223 6.977 80 H GLN 14 H GLN 14 8.818 0.761 9.238 81 HA GLN 14 HA GLN 14 7.346 -0.387 7.093 82 HB2 GLN 14 1HB GLN 14 9.123 -1.484 8.425 83 HB3 GLN 14 2HB GLN 14 8.016 -1.587 9.810 84 HG2 GLN 14 1HG GLN 14 6.498 -3.018 8.472 85 HG3 GLN 14 2HG GLN 14 7.556 -2.861 7.071 86 HE21 GLN 14 1HE2 GLN 14 7.086 -5.385 7.626 87 HE22 GLN 14 2HE2 GLN 14 8.475 -6.107 8.443 88 H ASP 15 H ASP 15 6.258 0.399 10.442 89 HA ASP 15 HA ASP 15 3.546 -0.542 10.001 90 HB2 ASP 15 1HB ASP 15 4.723 1.383 12.044 91 HB3 ASP 15 2HB ASP 15 3.070 0.758 12.070 92 H ALA 16 H ALA 16 5.224 2.409 9.216 93 HA ALA 16 HA ALA 16 2.778 3.856 8.431 94 HB1 ALA 16 1HB ALA 16 4.650 5.062 9.540 95 HB2 ALA 16 2HB ALA 16 5.708 4.640 8.170 96 HB3 ALA 16 3HB ALA 16 4.296 5.685 7.919 97 H THR 17 H THR 17 4.268 1.290 7.112 98 HA THR 17 HA THR 17 3.770 2.180 4.304 99 HB THR 17 HB THR 17 5.543 -0.104 5.227 100 HG1 THR 17 1HG THR 17 6.436 1.921 5.644 101 HG21 THR 17 1HG2 THR 17 4.617 -0.501 2.951 102 HG22 THR 17 2HG2 THR 17 6.345 -0.127 2.883 103 HG23 THR 17 3HG2 THR 17 5.165 1.115 2.450 104 H VAL 18 H VAL 18 2.302 1.085 3.121 105 HA VAL 18 HA VAL 18 0.803 -1.131 4.463 106 HB VAL 18 HB VAL 18 -1.115 -0.633 3.210 107 HG11 VAL 18 1HG1 VAL 18 -1.673 1.614 3.932 108 HG12 VAL 18 2HG1 VAL 18 -0.659 0.855 5.171 109 HG13 VAL 18 3HG1 VAL 18 0.031 2.063 4.066 110 HG21 VAL 18 1HG2 VAL 18 -1.251 1.262 1.596 111 HG22 VAL 18 2HG2 VAL 18 0.513 1.414 1.693 112 HG23 VAL 18 3HG2 VAL 18 -0.225 -0.054 1.014 113 H TYR 19 H TYR 19 0.366 -2.987 3.372 114 HA TYR 19 HA TYR 19 1.996 -3.655 0.957 115 HB2 TYR 19 1HB TYR 19 2.376 -5.203 2.745 116 HB3 TYR 19 2HB TYR 19 0.666 -5.283 3.146 117 HD1 TYR 19 1HD TYR 19 3.176 -6.245 0.554 118 HD2 TYR 19 2HD TYR 19 -0.824 -6.806 2.061 119 HE1 TYR 19 1HE TYR 19 2.876 -8.208 -0.960 120 HE2 TYR 19 2HE TYR 19 -1.131 -8.748 0.534 121 HH TYR 19 HH TYR 19 -0.160 -10.105 -1.042 122 H VAL 20 H VAL 20 0.977 -4.185 -0.919 123 HA VAL 20 HA VAL 20 -2.009 -4.318 -1.030 124 HB VAL 20 HB VAL 20 -0.249 -2.891 -3.068 125 HG11 VAL 20 1HG1 VAL 20 -3.279 -3.060 -2.743 126 HG12 VAL 20 2HG1 VAL 20 -2.415 -2.120 -3.974 127 HG13 VAL 20 3HG1 VAL 20 -2.330 -3.890 -3.981 128 HG21 VAL 20 1HG2 VAL 20 -2.061 -1.655 -0.961 129 HG22 VAL 20 2HG2 VAL 20 -0.291 -1.517 -1.043 130 HG23 VAL 20 3HG2 VAL 20 -1.280 -0.794 -2.308 131 H GLY 21 H GLY 21 -2.431 -6.373 -1.613 132 HA2 GLY 21 1HA GLY 21 -0.699 -7.764 -3.634 133 HA3 GLY 21 2HA GLY 21 -1.715 -8.557 -2.440 134 H GLY 22 H GLY 22 -1.602 -8.670 -5.449 135 HA2 GLY 22 1HA GLY 22 -3.358 -9.642 -6.731 136 HA3 GLY 22 2HA GLY 22 -4.568 -8.746 -5.811 137 H LEU 23 H LEU 23 -1.633 -7.461 -7.401 138 HA LEU 23 HA LEU 23 -3.128 -5.220 -8.508 139 HB2 LEU 23 1HB LEU 23 -0.205 -6.057 -8.736 140 HB3 LEU 23 2HB LEU 23 -0.864 -4.525 -9.297 141 HG LEU 23 HG LEU 23 -0.711 -5.462 -6.398 142 HD11 LEU 23 1HD1 LEU 23 0.745 -3.251 -7.895 143 HD12 LEU 23 2HD1 LEU 23 1.433 -4.818 -7.423 144 HD13 LEU 23 3HD1 LEU 23 0.919 -3.662 -6.177 145 HD21 LEU 23 1HD2 LEU 23 -2.639 -4.102 -6.477 146 HD22 LEU 23 2HD2 LEU 23 -1.934 -2.978 -7.648 147 HD23 LEU 23 3HD2 LEU 23 -1.344 -3.005 -5.976 148 H ASP 24 H ASP 24 -3.207 -4.624 -10.684 149 HA ASP 24 HA ASP 24 -3.293 -6.882 -12.574 150 HB2 ASP 24 1HB ASP 24 -5.268 -5.437 -12.399 151 HB3 ASP 24 2HB ASP 24 -4.292 -4.009 -12.743 152 H GLU 25 H GLU 25 -2.316 -6.664 -14.756 153 HA GLU 25 HA GLU 25 0.422 -5.963 -14.668 154 HB2 GLU 25 1HB GLU 25 0.465 -6.506 -17.019 155 HB3 GLU 25 2HB GLU 25 -0.511 -7.673 -16.132 156 HG2 GLU 25 1HG GLU 25 -2.586 -6.533 -16.920 157 HG3 GLU 25 2HG GLU 25 -1.604 -5.367 -17.808 158 H LYS 26 H LYS 26 -2.280 -3.853 -15.407 159 HA LYS 26 HA LYS 26 -0.624 -1.781 -16.684 160 HB2 LYS 26 1HB LYS 26 -3.492 -1.799 -15.675 161 HB3 LYS 26 2HB LYS 26 -2.739 -0.446 -16.528 162 HG2 LYS 26 1HG LYS 26 -2.288 -1.892 -18.482 163 HG3 LYS 26 2HG LYS 26 -3.062 -3.257 -17.683 164 HD2 LYS 26 1HD LYS 26 -4.402 -0.634 -18.452 165 HD3 LYS 26 2HD LYS 26 -4.539 -2.153 -19.330 166 HE2 LYS 26 1HE LYS 26 -5.552 -1.607 -16.507 167 HE3 LYS 26 2HE LYS 26 -6.532 -1.703 -17.972 168 HZ1 LYS 26 1HZ LYS 26 -5.706 -4.058 -18.178 169 HZ2 LYS 26 2HZ LYS 26 -6.656 -3.804 -16.874 170 HZ3 LYS 26 3HZ LYS 26 -5.044 -3.919 -16.673 171 H VAL 27 H VAL 27 -1.024 -2.685 -13.427 172 HA VAL 27 HA VAL 27 -0.839 -0.030 -12.226 173 HB VAL 27 HB VAL 27 -0.317 -2.779 -11.027 174 HG11 VAL 27 1HG1 VAL 27 -0.671 -0.078 -9.664 175 HG12 VAL 27 2HG1 VAL 27 -0.688 -1.647 -8.856 176 HG13 VAL 27 3HG1 VAL 27 0.778 -1.100 -9.639 177 HG21 VAL 27 1HG2 VAL 27 -2.570 -2.472 -10.003 178 HG22 VAL 27 2HG2 VAL 27 -2.775 -0.969 -10.925 179 HG23 VAL 27 3HG2 VAL 27 -2.654 -2.529 -11.765 180 H SER 28 H SER 28 0.916 1.072 -11.472 181 HA SER 28 HA SER 28 3.539 -0.259 -11.323 182 HB2 SER 28 1HB SER 28 3.325 0.836 -13.630 183 HB3 SER 28 2HB SER 28 3.348 2.396 -12.776 184 HG SER 28 HG SER 28 5.449 1.602 -13.469 185 H GLU 29 H GLU 29 5.160 1.203 -10.212 186 HA GLU 29 HA GLU 29 4.201 1.952 -7.680 187 HB2 GLU 29 1HB GLU 29 6.744 2.428 -9.253 188 HB3 GLU 29 2HB GLU 29 6.561 3.278 -7.736 189 HG2 GLU 29 1HG GLU 29 6.742 1.435 -6.436 190 HG3 GLU 29 2HG GLU 29 5.873 0.406 -7.545 191 HA PRO 30 HA PRO 30 4.159 6.599 -8.751 192 HB2 PRO 30 1HB PRO 30 3.777 7.484 -11.300 193 HB3 PRO 30 2HB PRO 30 5.387 7.175 -10.579 194 HG2 PRO 30 1HG PRO 30 3.759 5.319 -12.326 195 HG3 PRO 30 2HG PRO 30 5.483 5.789 -12.512 196 HD2 PRO 30 1HD PRO 30 4.771 3.494 -11.315 197 HD3 PRO 30 2HD PRO 30 6.136 4.440 -10.681 198 H LEU 31 H LEU 31 2.152 4.249 -10.465 199 HA LEU 31 HA LEU 31 -0.298 5.846 -10.399 200 HB2 LEU 31 1HB LEU 31 -0.077 3.843 -11.900 201 HB3 LEU 31 2HB LEU 31 0.045 2.819 -10.474 202 HG LEU 31 HG LEU 31 -2.285 3.730 -9.749 203 HD11 LEU 31 1HD1 LEU 31 -3.671 4.505 -11.627 204 HD12 LEU 31 2HD1 LEU 31 -2.240 4.510 -12.689 205 HD13 LEU 31 3HD1 LEU 31 -2.345 5.640 -11.311 206 HD21 LEU 31 1HD2 LEU 31 -3.403 2.139 -11.292 207 HD22 LEU 31 2HD2 LEU 31 -1.943 1.477 -10.546 208 HD23 LEU 31 3HD2 LEU 31 -1.907 2.038 -12.242 209 H LEU 32 H LEU 32 1.066 3.181 -8.390 210 HA LEU 32 HA LEU 32 -0.930 3.214 -6.394 211 HB2 LEU 32 1HB LEU 32 2.057 2.655 -6.039 212 HB3 LEU 32 2HB LEU 32 0.790 2.271 -4.878 213 HG LEU 32 HG LEU 32 1.245 1.009 -7.591 214 HD11 LEU 32 1HD1 LEU 32 1.111 -0.119 -4.757 215 HD12 LEU 32 2HD1 LEU 32 2.611 0.199 -5.669 216 HD13 LEU 32 3HD1 LEU 32 1.466 -1.031 -6.242 217 HD21 LEU 32 1HD2 LEU 32 -1.148 1.178 -7.389 218 HD22 LEU 32 2HD2 LEU 32 -1.095 0.724 -5.662 219 HD23 LEU 32 3HD2 LEU 32 -0.710 -0.474 -6.910 220 H TRP 33 H TRP 33 2.030 5.187 -6.586 221 HA TRP 33 HA TRP 33 1.779 6.524 -4.116 222 HB2 TRP 33 1HB TRP 33 3.692 6.503 -5.783 223 HB3 TRP 33 2HB TRP 33 2.835 7.693 -6.727 224 HD1 TRP 33 HD TRP 33 2.010 9.669 -4.269 225 HE1 TRP 33 1HE TRP 33 3.855 11.048 -3.124 226 HE3 TRP 33 3HE TRP 33 6.034 6.898 -5.681 227 HZ2 TRP 33 2HZ TRP 33 6.746 11.002 -2.938 228 HZ3 TRP 33 3HZ TRP 33 8.355 7.595 -5.044 229 HH2 TRP 33 HH TRP 33 8.709 9.644 -3.678 230 H GLU 34 H GLU 34 0.791 7.847 -7.302 231 HA GLU 34 HA GLU 34 -0.641 10.058 -6.200 232 HB2 GLU 34 1HB GLU 34 -0.825 8.705 -8.928 233 HB3 GLU 34 2HB GLU 34 -1.632 10.227 -8.509 234 HG2 GLU 34 1HG GLU 34 0.622 11.138 -7.824 235 HG3 GLU 34 2HG GLU 34 1.370 9.719 -8.541 236 H LEU 35 H LEU 35 -1.785 6.802 -6.905 237 HA LEU 35 HA LEU 35 -4.599 7.382 -6.602 238 HB2 LEU 35 1HB LEU 35 -3.429 5.338 -7.725 239 HB3 LEU 35 2HB LEU 35 -3.255 4.717 -6.076 240 HG LEU 35 HG LEU 35 -5.827 5.069 -5.946 241 HD11 LEU 35 1HD1 LEU 35 -6.095 6.366 -8.019 242 HD12 LEU 35 2HD1 LEU 35 -7.018 4.857 -8.074 243 HD13 LEU 35 3HD1 LEU 35 -5.484 4.986 -8.960 244 HD21 LEU 35 1HD2 LEU 35 -4.651 2.909 -7.717 245 HD22 LEU 35 2HD2 LEU 35 -6.231 2.849 -6.891 246 HD23 LEU 35 3HD2 LEU 35 -4.747 2.879 -5.938 247 H PHE 36 H PHE 36 -2.044 6.456 -4.280 248 HA PHE 36 HA PHE 36 -3.973 6.111 -2.074 249 HB2 PHE 36 1HB PHE 36 -1.045 5.575 -2.478 250 HB3 PHE 36 2HB PHE 36 -1.679 5.689 -0.883 251 HD1 PHE 36 1HD PHE 36 -2.569 3.905 -4.105 252 HD2 PHE 36 2HD PHE 36 -2.332 3.720 0.185 253 HE1 PHE 36 1HE PHE 36 -3.244 1.525 -4.176 254 HE2 PHE 36 2HE PHE 36 -3.101 1.361 0.121 255 HZ PHE 36 HZ PHE 36 -3.562 0.261 -2.059 256 H LEU 37 H LEU 37 -2.177 8.759 -3.324 257 HA LEU 37 HA LEU 37 -1.878 10.411 -1.064 258 HB2 LEU 37 1HB LEU 37 -2.713 10.960 -3.929 259 HB3 LEU 37 2HB LEU 37 -2.544 12.267 -2.761 260 HG LEU 37 HG LEU 37 -0.306 10.436 -3.665 261 HD11 LEU 37 1HD1 LEU 37 0.581 12.436 -4.730 262 HD12 LEU 37 2HD1 LEU 37 -0.775 13.405 -4.111 263 HD13 LEU 37 3HD1 LEU 37 -1.066 12.141 -5.320 264 HD21 LEU 37 1HD2 LEU 37 -0.299 12.768 -1.718 265 HD22 LEU 37 2HD2 LEU 37 1.159 12.001 -2.404 266 HD23 LEU 37 3HD2 LEU 37 0.078 11.072 -1.357 267 H GLN 38 H GLN 38 -4.839 9.282 -2.413 268 HA GLN 38 HA GLN 38 -6.703 11.185 -1.341 269 HB2 GLN 38 1HB GLN 38 -7.101 8.188 -1.771 270 HB3 GLN 38 2HB GLN 38 -8.369 9.417 -1.631 271 HG2 GLN 38 1HG GLN 38 -7.476 10.516 -3.710 272 HG3 GLN 38 2HG GLN 38 -6.286 9.204 -3.816 273 HE21 GLN 38 1HE2 GLN 38 -6.951 7.130 -4.508 274 HE22 GLN 38 2HE2 GLN 38 -8.570 6.848 -5.172 275 H ALA 39 H ALA 39 -5.030 8.423 0.126 276 HA ALA 39 HA ALA 39 -6.638 8.446 2.574 277 HB1 ALA 39 1HB ALA 39 -3.971 7.115 1.954 278 HB2 ALA 39 2HB ALA 39 -5.041 6.765 3.322 279 HB3 ALA 39 3HB ALA 39 -5.555 6.389 1.658 280 H GLY 40 H GLY 40 -3.357 9.534 1.637 281 HA2 GLY 40 1HA GLY 40 -3.249 11.792 3.367 282 HA3 GLY 40 2HA GLY 40 -2.481 10.419 4.173 283 HA PRO 41 HA PRO 41 0.577 12.626 1.366 284 HB2 PRO 41 1HB PRO 41 2.544 13.110 3.221 285 HB3 PRO 41 2HB PRO 41 1.140 14.185 2.950 286 HG2 PRO 41 1HG PRO 41 1.429 12.016 5.052 287 HG3 PRO 41 2HG PRO 41 0.921 13.718 5.288 288 HD2 PRO 41 1HD PRO 41 -0.866 11.684 5.057 289 HD3 PRO 41 2HD PRO 41 -1.215 13.261 4.291 290 H VAL 42 H VAL 42 1.283 11.040 0.118 291 HA VAL 42 HA VAL 42 2.706 8.668 1.144 292 HB VAL 42 HB VAL 42 2.012 9.474 -1.697 293 HG11 VAL 42 1HG1 VAL 42 3.226 6.907 -0.576 294 HG12 VAL 42 2HG1 VAL 42 2.591 7.093 -2.218 295 HG13 VAL 42 3HG1 VAL 42 3.992 8.025 -1.723 296 HG21 VAL 42 1HG2 VAL 42 0.364 7.653 -1.577 297 HG22 VAL 42 2HG2 VAL 42 0.792 7.358 0.123 298 HG23 VAL 42 3HG2 VAL 42 0.011 8.879 -0.360 299 H VAL 43 H VAL 43 4.783 8.358 1.094 300 HA VAL 43 HA VAL 43 6.608 10.617 0.394 301 HB VAL 43 HB VAL 43 7.123 8.288 2.282 302 HG11 VAL 43 1HG1 VAL 43 8.706 9.873 3.351 303 HG12 VAL 43 2HG1 VAL 43 9.140 9.555 1.665 304 HG13 VAL 43 3HG1 VAL 43 8.333 11.083 2.110 305 HG21 VAL 43 1HG2 VAL 43 6.532 9.787 4.140 306 HG22 VAL 43 2HG2 VAL 43 5.936 11.005 2.983 307 HG23 VAL 43 3HG2 VAL 43 5.141 9.420 3.126 308 H ASN 44 H ASN 44 6.106 7.150 -0.080 309 HA ASN 44 HA ASN 44 8.020 6.957 -2.271 310 HB2 ASN 44 1HB ASN 44 9.581 6.866 -0.424 311 HB3 ASN 44 2HB ASN 44 8.560 5.779 0.483 312 HD21 ASN 44 1HD2 ASN 44 9.652 3.902 0.681 313 HD22 ASN 44 2HD2 ASN 44 10.435 3.068 -0.671 314 H THR 45 H THR 45 7.953 4.792 -3.280 315 HA THR 45 HA THR 45 5.837 2.912 -2.411 316 HB THR 45 HB THR 45 5.274 2.560 -4.897 317 HG1 THR 45 1HG THR 45 5.352 4.504 -6.088 318 HG21 THR 45 1HG2 THR 45 3.486 4.100 -4.882 319 HG22 THR 45 2HG2 THR 45 4.287 5.142 -3.668 320 HG23 THR 45 3HG2 THR 45 3.720 3.509 -3.241 321 H HIS 46 H HIS 46 6.096 0.752 -3.191 322 HA HIS 46 HA HIS 46 8.643 0.119 -4.584 323 HB2 HIS 46 1HB HIS 46 8.834 0.094 -1.940 324 HB3 HIS 46 2HB HIS 46 7.932 -1.398 -2.068 325 HD2 HIS 46 2HD HIS 46 11.375 -0.319 -1.867 326 HE1 HIS 46 1HE HIS 46 11.668 -3.796 -4.322 327 HE2 HIS 46 2HE HIS 46 12.983 -2.129 -2.913 328 H MET 47 H MET 47 8.302 -1.399 -6.121 329 HA MET 47 HA MET 47 6.305 -3.579 -5.613 330 HB2 MET 47 1HB MET 47 6.528 -1.905 -8.129 331 HB3 MET 47 2HB MET 47 5.831 -3.528 -8.112 332 HG2 MET 47 1HG MET 47 4.113 -2.909 -6.595 333 HG3 MET 47 2HG MET 47 4.849 -1.344 -6.252 334 HE1 MET 47 1HE MET 47 2.610 -2.444 -10.130 335 HE2 MET 47 2HE MET 47 4.309 -2.903 -9.919 336 HE3 MET 47 3HE MET 47 3.069 -3.569 -8.825 337 HA PRO 48 HA PRO 48 10.384 -5.406 -6.387 338 HB2 PRO 48 1HB PRO 48 8.862 -7.835 -5.424 339 HB3 PRO 48 2HB PRO 48 10.539 -7.329 -5.041 340 HG2 PRO 48 1HG PRO 48 8.573 -6.848 -3.265 341 HG3 PRO 48 2HG PRO 48 9.737 -5.542 -3.642 342 HD2 PRO 48 1HD PRO 48 6.948 -5.946 -4.777 343 HD3 PRO 48 2HD PRO 48 7.691 -4.454 -4.117 344 H LYS 49 H LYS 49 11.144 -6.146 -8.287 345 HA LYS 49 HA LYS 49 9.207 -7.023 -10.331 346 HB2 LYS 49 1HB LYS 49 12.117 -6.232 -10.683 347 HB3 LYS 49 2HB LYS 49 10.920 -6.452 -11.953 348 HG2 LYS 49 1HG LYS 49 10.985 -4.252 -9.863 349 HG3 LYS 49 2HG LYS 49 11.299 -4.102 -11.592 350 HD2 LYS 49 1HD LYS 49 8.909 -4.793 -12.035 351 HD3 LYS 49 2HD LYS 49 8.611 -4.743 -10.296 352 HE2 LYS 49 1HE LYS 49 9.425 -2.410 -12.087 353 HE3 LYS 49 2HE LYS 49 7.846 -2.687 -11.348 354 HZ1 LYS 49 1HZ LYS 49 10.350 -1.943 -9.963 355 HZ2 LYS 49 2HZ LYS 49 9.076 -2.569 -9.150 356 HZ3 LYS 49 3HZ LYS 49 8.914 -1.149 -9.934 357 H ASP 50 H ASP 50 9.456 -8.646 -11.752 358 HA ASP 50 HA ASP 50 10.456 -11.194 -10.869 359 HB2 ASP 50 1HB ASP 50 8.485 -10.968 -12.300 360 HB3 ASP 50 2HB ASP 50 9.426 -10.137 -13.532 361 H ARG 51 H ARG 51 12.231 -12.371 -11.514 362 HA ARG 51 HA ARG 51 14.547 -10.819 -12.377 363 HB2 ARG 51 1HB ARG 51 15.875 -12.617 -11.575 364 HB3 ARG 51 2HB ARG 51 14.617 -12.245 -10.401 365 HG2 ARG 51 1HG ARG 51 13.282 -14.194 -11.218 366 HG3 ARG 51 2HG ARG 51 14.568 -14.584 -12.370 367 HD2 ARG 51 1HD ARG 51 14.898 -14.476 -9.343 368 HD3 ARG 51 2HD ARG 51 14.611 -15.941 -10.268 369 HE ARG 51 HE ARG 51 17.116 -14.435 -10.046 370 HH11 ARG 51 1HH1 ARG 51 15.492 -16.883 -11.965 371 HH12 ARG 51 2HH1 ARG 51 16.990 -17.477 -12.627 372 HH21 ARG 51 1HH2 ARG 51 18.976 -15.243 -10.932 373 HH22 ARG 51 2HH2 ARG 51 18.904 -16.572 -12.051 374 H VAL 52 H VAL 52 12.405 -11.988 -14.422 375 HA VAL 52 HA VAL 52 14.430 -12.972 -16.412 376 HB VAL 52 HB VAL 52 11.632 -14.116 -16.037 377 HG11 VAL 52 1HG1 VAL 52 12.407 -14.263 -18.363 378 HG12 VAL 52 2HG1 VAL 52 13.949 -14.969 -17.825 379 HG13 VAL 52 3HG1 VAL 52 12.425 -15.857 -17.615 380 HG21 VAL 52 1HG2 VAL 52 14.335 -15.296 -15.266 381 HG22 VAL 52 2HG2 VAL 52 12.987 -14.890 -14.172 382 HG23 VAL 52 3HG2 VAL 52 12.807 -16.205 -15.327 383 H THR 53 H THR 53 11.277 -11.418 -15.836 384 HA THR 53 HA THR 53 11.304 -10.313 -18.611 385 HB THR 53 HB THR 53 8.877 -10.108 -18.388 386 HG1 THR 53 1HG THR 53 9.236 -11.442 -15.907 387 HG21 THR 53 1HG2 THR 53 8.233 -12.445 -18.448 388 HG22 THR 53 2HG2 THR 53 9.736 -12.937 -17.640 389 HG23 THR 53 3HG2 THR 53 9.786 -12.248 -19.279 390 H GLY 54 H GLY 54 11.534 -9.471 -15.290 391 HA2 GLY 54 1HA GLY 54 11.805 -7.490 -14.236 392 HA3 GLY 54 2HA GLY 54 11.841 -6.691 -15.813 393 H GLN 55 H GLN 55 8.967 -8.472 -15.393 394 HA GLN 55 HA GLN 55 7.221 -6.158 -15.085 395 HB2 GLN 55 1HB GLN 55 6.693 -9.160 -14.963 396 HB3 GLN 55 2HB GLN 55 5.448 -7.910 -15.040 397 HG2 GLN 55 1HG GLN 55 6.219 -7.211 -17.270 398 HG3 GLN 55 2HG GLN 55 7.533 -8.384 -17.218 399 HE21 GLN 55 1HE2 GLN 55 6.909 -10.733 -16.994 400 HE22 GLN 55 2HE2 GLN 55 5.396 -11.234 -17.764 401 H HIS 56 H HIS 56 5.554 -6.056 -13.274 402 HA HIS 56 HA HIS 56 6.785 -6.583 -10.654 403 HB2 HIS 56 1HB HIS 56 5.008 -5.471 -9.664 404 HB3 HIS 56 2HB HIS 56 5.378 -4.563 -11.123 405 HD2 HIS 56 2HD HIS 56 3.298 -3.975 -12.597 406 HE1 HIS 56 1HE HIS 56 0.463 -6.677 -10.920 407 HE2 HIS 56 2HE HIS 56 0.765 -4.725 -12.500 408 H GLN 57 H GLN 57 5.843 -7.892 -9.000 409 HA GLN 57 HA GLN 57 5.059 -10.507 -10.128 410 HB2 GLN 57 1HB GLN 57 6.284 -9.687 -7.484 411 HB3 GLN 57 2HB GLN 57 5.891 -11.357 -7.923 412 HG2 GLN 57 1HG GLN 57 7.403 -11.292 -9.839 413 HG3 GLN 57 2HG GLN 57 7.774 -9.591 -9.545 414 HE21 GLN 57 1HE2 GLN 57 8.717 -9.063 -7.359 415 HE22 GLN 57 2HE2 GLN 57 9.860 -10.239 -6.690 416 H GLY 58 H GLY 58 3.008 -8.338 -9.638 417 HA2 GLY 58 1HA GLY 58 0.724 -8.549 -9.299 418 HA3 GLY 58 2HA GLY 58 0.958 -10.083 -8.465 419 H TYR 59 H TYR 59 3.015 -7.802 -7.033 420 HA TYR 59 HA TYR 59 0.994 -6.663 -5.220 421 HB2 TYR 59 1HB TYR 59 2.021 -7.474 -3.218 422 HB3 TYR 59 2HB TYR 59 1.589 -8.842 -4.220 423 HD1 TYR 59 1HD TYR 59 4.338 -6.972 -2.657 424 HD2 TYR 59 2HD TYR 59 3.357 -10.173 -5.381 425 HE1 TYR 59 1HE TYR 59 6.662 -7.851 -2.477 426 HE2 TYR 59 2HE TYR 59 5.691 -11.017 -5.235 427 HH TYR 59 HH TYR 59 7.764 -10.737 -4.288 428 H GLY 60 H GLY 60 1.799 -5.049 -3.784 429 HA2 GLY 60 1HA GLY 60 4.408 -3.774 -4.320 430 HA3 GLY 60 2HA GLY 60 2.958 -2.884 -4.795 431 H PHE 61 H PHE 61 4.342 -1.537 -3.194 432 HA PHE 61 HA PHE 61 2.949 -1.558 -0.582 433 HB2 PHE 61 1HB PHE 61 5.935 -1.156 -1.000 434 HB3 PHE 61 2HB PHE 61 5.092 -0.962 0.516 435 HD1 PHE 61 1HD PHE 61 6.401 -3.412 -1.916 436 HD2 PHE 61 2HD PHE 61 4.393 -2.870 1.857 437 HE1 PHE 61 1HE PHE 61 6.918 -5.763 -1.305 438 HE2 PHE 61 2HE PHE 61 4.930 -5.220 2.480 439 HZ PHE 61 HZ PHE 61 6.185 -6.670 0.894 440 H VAL 62 H VAL 62 2.720 0.456 0.397 441 HA VAL 62 HA VAL 62 3.709 2.875 -1.049 442 HB VAL 62 HB VAL 62 0.890 2.732 0.070 443 HG11 VAL 62 1HG1 VAL 62 2.292 4.762 -1.691 444 HG12 VAL 62 2HG1 VAL 62 0.606 4.822 -1.141 445 HG13 VAL 62 3HG1 VAL 62 1.898 4.964 0.037 446 HG21 VAL 62 1HG2 VAL 62 0.134 2.793 -2.311 447 HG22 VAL 62 2HG2 VAL 62 1.799 2.425 -2.808 448 HG23 VAL 62 3HG2 VAL 62 0.869 1.259 -1.846 449 H GLU 63 H GLU 63 4.723 4.255 0.241 450 HA GLU 63 HA GLU 63 4.674 3.802 3.189 451 HB2 GLU 63 1HB GLU 63 6.780 3.529 1.894 452 HB3 GLU 63 2HB GLU 63 6.668 5.241 1.433 453 HG2 GLU 63 1HG GLU 63 6.856 5.941 3.750 454 HG3 GLU 63 2HG GLU 63 6.858 4.269 4.304 455 H PHE 64 H PHE 64 3.676 5.234 4.442 456 HA PHE 64 HA PHE 64 2.953 7.925 3.402 457 HB2 PHE 64 1HB PHE 64 1.826 6.181 5.611 458 HB3 PHE 64 2HB PHE 64 1.398 7.867 5.409 459 HD1 PHE 64 1HD PHE 64 1.105 4.500 3.876 460 HD2 PHE 64 2HD PHE 64 0.100 8.678 3.552 461 HE1 PHE 64 1HE PHE 64 -0.631 3.950 2.179 462 HE2 PHE 64 2HE PHE 64 -1.630 8.122 1.845 463 HZ PHE 64 HZ PHE 64 -2.028 5.782 1.201 464 H LEU 65 H LEU 65 3.049 9.735 4.813 465 HA LEU 65 HA LEU 65 5.536 10.107 6.106 466 HB2 LEU 65 1HB LEU 65 3.872 11.827 5.117 467 HB3 LEU 65 2HB LEU 65 2.999 11.677 6.650 468 HG LEU 65 HG LEU 65 5.200 12.332 7.807 469 HD11 LEU 65 1HD1 LEU 65 6.745 11.953 5.905 470 HD12 LEU 65 2HD1 LEU 65 6.784 13.644 6.419 471 HD13 LEU 65 3HD1 LEU 65 5.884 13.186 4.956 472 HD21 LEU 65 1HD2 LEU 65 3.868 14.333 5.924 473 HD22 LEU 65 2HD2 LEU 65 4.832 14.738 7.364 474 HD23 LEU 65 3HD2 LEU 65 3.295 13.880 7.545 475 H SER 66 H SER 66 2.430 9.079 7.454 476 HA SER 66 HA SER 66 3.726 8.495 10.066 477 HB2 SER 66 1HB SER 66 1.056 9.925 9.852 478 HB3 SER 66 2HB SER 66 1.955 9.516 11.319 479 HG SER 66 HG SER 66 2.203 11.719 10.717 480 H GLU 67 H GLU 67 2.625 6.970 11.357 481 HA GLU 67 HA GLU 67 1.597 4.728 9.940 482 HB2 GLU 67 1HB GLU 67 2.908 4.617 11.938 483 HB3 GLU 67 2HB GLU 67 1.684 5.454 12.878 484 HG2 GLU 67 1HG GLU 67 1.136 2.790 11.509 485 HG3 GLU 67 2HG GLU 67 1.969 2.860 13.052 486 H GLU 68 H GLU 68 -0.174 7.293 11.688 487 HA GLU 68 HA GLU 68 -2.727 5.977 11.526 488 HB2 GLU 68 1HB GLU 68 -3.674 8.102 12.175 489 HB3 GLU 68 2HB GLU 68 -2.252 7.737 13.148 490 HG2 GLU 68 1HG GLU 68 -0.903 9.295 11.712 491 HG3 GLU 68 2HG GLU 68 -2.365 9.691 10.804 492 H ASP 69 H ASP 69 -0.936 7.833 9.153 493 HA ASP 69 HA ASP 69 -3.224 8.193 7.335 494 HB2 ASP 69 1HB ASP 69 -0.225 8.585 7.016 495 HB3 ASP 69 2HB ASP 69 -1.384 8.863 5.731 496 H ALA 70 H ALA 70 -0.602 5.812 7.841 497 HA ALA 70 HA ALA 70 -1.206 4.296 5.430 498 HB1 ALA 70 1HB ALA 70 0.989 4.220 6.573 499 HB2 ALA 70 2HB ALA 70 0.234 3.513 8.016 500 HB3 ALA 70 3HB ALA 70 0.266 2.605 6.499 501 H ASP 71 H ASP 71 -2.148 3.990 8.890 502 HA ASP 71 HA ASP 71 -3.718 1.656 8.639 503 HB2 ASP 71 1HB ASP 71 -2.845 2.968 10.710 504 HB3 ASP 71 2HB ASP 71 -4.361 3.861 10.596 505 H TYR 72 H TYR 72 -4.572 4.995 7.880 506 HA TYR 72 HA TYR 72 -7.409 4.442 7.433 507 HB2 TYR 72 1HB TYR 72 -6.510 6.666 8.124 508 HB3 TYR 72 2HB TYR 72 -5.693 6.791 6.563 509 HD1 TYR 72 1HD TYR 72 -9.115 6.198 8.047 510 HD2 TYR 72 2HD TYR 72 -6.828 7.830 4.784 511 HE1 TYR 72 1HE TYR 72 -11.210 7.089 7.019 512 HE2 TYR 72 2HE TYR 72 -8.915 8.727 3.758 513 HH TYR 72 HH TYR 72 -11.191 8.932 3.946 514 H ALA 73 H ALA 73 -4.478 4.551 5.355 515 HA ALA 73 HA ALA 73 -5.869 4.395 2.829 516 HB1 ALA 73 1HB ALA 73 -3.104 3.364 3.573 517 HB2 ALA 73 2HB ALA 73 -3.707 3.805 1.959 518 HB3 ALA 73 3HB ALA 73 -3.475 5.052 3.201 519 H ILE 74 H ILE 74 -4.741 1.924 5.123 520 HA ILE 74 HA ILE 74 -5.570 -0.394 3.648 521 HB ILE 74 HB ILE 74 -5.286 0.087 6.643 522 HG12 ILE 74 1HG1 ILE 74 -3.293 -1.302 4.810 523 HG13 ILE 74 2HG1 ILE 74 -3.251 0.442 5.040 524 HG21 ILE 74 1HG2 ILE 74 -4.991 -2.415 6.787 525 HG22 ILE 74 2HG2 ILE 74 -6.609 -1.961 6.268 526 HG23 ILE 74 3HG2 ILE 74 -5.427 -2.528 5.076 527 HD11 ILE 74 1HD1 ILE 74 -3.027 -1.541 7.314 528 HD12 ILE 74 2HD1 ILE 74 -1.680 -0.730 6.489 529 HD13 ILE 74 3HD1 ILE 74 -2.862 0.226 7.379 530 H LYS 75 H LYS 75 -7.372 1.779 5.825 531 HA LYS 75 HA LYS 75 -9.775 0.198 5.946 532 HB2 LYS 75 1HB LYS 75 -9.204 1.938 7.580 533 HB3 LYS 75 2HB LYS 75 -9.362 3.194 6.346 534 HG2 LYS 75 1HG LYS 75 -11.726 2.752 6.080 535 HG3 LYS 75 2HG LYS 75 -11.622 1.346 7.155 536 HD2 LYS 75 1HD LYS 75 -10.986 2.844 9.037 537 HD3 LYS 75 2HD LYS 75 -11.082 4.247 7.948 538 HE2 LYS 75 1HE LYS 75 -13.479 3.762 7.528 539 HE3 LYS 75 2HE LYS 75 -13.388 2.349 8.586 540 HZ1 LYS 75 1HZ LYS 75 -12.949 5.156 9.460 541 HZ2 LYS 75 2HZ LYS 75 -12.863 3.848 10.436 542 HZ3 LYS 75 3HZ LYS 75 -14.285 4.272 9.761 543 H ILE 76 H ILE 76 -8.775 2.795 3.667 544 HA ILE 76 HA ILE 76 -11.346 2.518 2.266 545 HB ILE 76 HB ILE 76 -10.645 4.381 0.907 546 HG12 ILE 76 1HG1 ILE 76 -8.130 4.609 2.592 547 HG13 ILE 76 2HG1 ILE 76 -8.168 3.992 0.951 548 HG21 ILE 76 1HG2 ILE 76 -10.885 6.052 2.665 549 HG22 ILE 76 2HG2 ILE 76 -11.823 4.630 3.122 550 HG23 ILE 76 3HG2 ILE 76 -10.245 4.934 3.885 551 HD11 ILE 76 1HD1 ILE 76 -7.555 6.261 0.749 552 HD12 ILE 76 2HD1 ILE 76 -9.245 6.196 0.247 553 HD13 ILE 76 3HD1 ILE 76 -8.818 6.793 1.874 554 H MET 77 H MET 77 -7.976 1.587 1.498 555 HA MET 77 HA MET 77 -8.750 1.000 -1.274 556 HB2 MET 77 1HB MET 77 -6.130 1.052 0.156 557 HB3 MET 77 2HB MET 77 -6.263 0.474 -1.494 558 HG2 MET 77 1HG MET 77 -7.427 3.160 -0.793 559 HG3 MET 77 2HG MET 77 -5.702 3.002 -1.002 560 HE1 MET 77 1HE MET 77 -6.676 4.997 -2.428 561 HE2 MET 77 2HE MET 77 -5.350 4.445 -3.491 562 HE3 MET 77 3HE MET 77 -6.956 4.802 -4.164 563 H ASP 78 H ASP 78 -9.225 -0.797 1.320 564 HA ASP 78 HA ASP 78 -8.228 -3.349 0.220 565 HB2 ASP 78 1HB ASP 78 -8.022 -2.951 2.633 566 HB3 ASP 78 2HB ASP 78 -9.781 -2.840 2.780 567 H MET 79 H MET 79 -9.380 -4.912 -0.721 568 HA MET 79 HA MET 79 -10.879 -5.841 -2.025 569 HB2 MET 79 1HB MET 79 -12.054 -5.943 0.275 570 HB3 MET 79 2HB MET 79 -13.196 -4.783 -0.411 571 HG2 MET 79 1HG MET 79 -13.712 -6.365 -2.231 572 HG3 MET 79 2HG MET 79 -12.479 -7.481 -1.646 573 HE1 MET 79 1HE MET 79 -12.685 -9.042 0.378 574 HE2 MET 79 2HE MET 79 -12.856 -7.668 1.495 575 HE3 MET 79 3HE MET 79 -14.010 -9.014 1.562 576 H ILE 80 H ILE 80 -10.230 -2.835 -2.348 577 HA ILE 80 HA ILE 80 -12.252 -1.888 -4.236 578 HB ILE 80 HB ILE 80 -9.621 -0.963 -3.168 579 HG12 ILE 80 1HG1 ILE 80 -12.352 0.248 -3.678 580 HG13 ILE 80 2HG1 ILE 80 -11.585 -0.138 -2.139 581 HG21 ILE 80 1HG2 ILE 80 -9.079 -0.869 -5.530 582 HG22 ILE 80 2HG2 ILE 80 -10.537 0.126 -5.832 583 HG23 ILE 80 3HG2 ILE 80 -9.193 0.707 -4.797 584 HD11 ILE 80 1HD1 ILE 80 -10.946 2.148 -4.042 585 HD12 ILE 80 2HD1 ILE 80 -11.523 2.237 -2.372 586 HD13 ILE 80 3HD1 ILE 80 -9.865 1.701 -2.714 587 H LYS 81 H LYS 81 -12.002 -1.783 -6.506 588 HA LYS 81 HA LYS 81 -10.427 -4.055 -7.647 589 HB2 LYS 81 1HB LYS 81 -13.075 -2.840 -8.463 590 HB3 LYS 81 2HB LYS 81 -12.215 -4.114 -9.352 591 HG2 LYS 81 1HG LYS 81 -12.302 -5.530 -7.233 592 HG3 LYS 81 2HG LYS 81 -13.344 -4.293 -6.526 593 HD2 LYS 81 1HD LYS 81 -14.821 -5.950 -7.311 594 HD3 LYS 81 2HD LYS 81 -14.914 -4.655 -8.513 595 HE2 LYS 81 1HE LYS 81 -13.230 -5.937 -9.909 596 HE3 LYS 81 2HE LYS 81 -13.312 -7.242 -8.722 597 HZ1 LYS 81 1HZ LYS 81 -15.687 -7.466 -9.220 598 HZ2 LYS 81 2HZ LYS 81 -14.817 -7.651 -10.587 599 HZ3 LYS 81 3HZ LYS 81 -15.620 -6.258 -10.316 600 H LEU 82 H LEU 82 -8.631 -2.488 -7.678 601 HA LEU 82 HA LEU 82 -8.489 -0.320 -9.540 602 HB2 LEU 82 1HB LEU 82 -6.878 -0.773 -7.701 603 HB3 LEU 82 2HB LEU 82 -6.314 -2.217 -8.539 604 HG LEU 82 HG LEU 82 -5.368 -0.874 -10.342 605 HD11 LEU 82 1HD1 LEU 82 -6.573 1.504 -8.866 606 HD12 LEU 82 2HD1 LEU 82 -6.900 0.997 -10.537 607 HD13 LEU 82 3HD1 LEU 82 -5.321 1.644 -10.113 608 HD21 LEU 82 1HD2 LEU 82 -4.031 -1.241 -8.289 609 HD22 LEU 82 2HD2 LEU 82 -4.678 0.259 -7.593 610 HD23 LEU 82 3HD2 LEU 82 -3.643 0.321 -9.033 611 H TYR 83 H TYR 83 -8.312 -0.288 -11.793 612 HA TYR 83 HA TYR 83 -8.960 -1.138 -13.802 613 HB2 TYR 83 1HB TYR 83 -6.548 -2.902 -13.313 614 HB3 TYR 83 2HB TYR 83 -7.251 -2.534 -14.878 615 HD1 TYR 83 1HD TYR 83 -4.645 -1.665 -12.745 616 HD2 TYR 83 2HD TYR 83 -7.563 0.099 -15.386 617 HE1 TYR 83 1HE TYR 83 -3.146 0.287 -13.108 618 HE2 TYR 83 2HE TYR 83 -6.074 2.062 -15.722 619 HH TYR 83 HH TYR 83 -4.062 3.032 -15.222 620 H GLY 84 H GLY 84 -10.492 -2.592 -11.679 621 HA2 GLY 84 1HA GLY 84 -12.215 -4.111 -11.850 622 HA3 GLY 84 2HA GLY 84 -11.661 -4.579 -13.453 623 H LYS 85 H LYS 85 -9.551 -4.838 -10.626 624 HA LYS 85 HA LYS 85 -9.854 -7.757 -10.386 625 HB2 LYS 85 1HB LYS 85 -8.004 -7.292 -11.971 626 HB3 LYS 85 2HB LYS 85 -7.230 -6.254 -10.767 627 HG2 LYS 85 1HG LYS 85 -7.035 -8.226 -9.230 628 HG3 LYS 85 2HG LYS 85 -7.779 -9.245 -10.477 629 HD2 LYS 85 1HD LYS 85 -5.905 -8.725 -12.021 630 HD3 LYS 85 2HD LYS 85 -5.181 -7.672 -10.786 631 HE2 LYS 85 1HE LYS 85 -5.002 -9.608 -9.241 632 HE3 LYS 85 2HE LYS 85 -5.707 -10.662 -10.474 633 HZ1 LYS 85 1HZ LYS 85 -3.279 -10.792 -10.481 634 HZ2 LYS 85 2HZ LYS 85 -3.136 -9.184 -10.758 635 HZ3 LYS 85 3HZ LYS 85 -3.789 -10.168 -11.899 636 HA PRO 86 HA PRO 86 -10.158 -5.886 -6.346 637 HB2 PRO 86 1HB PRO 86 -10.597 -8.112 -4.779 638 HB3 PRO 86 2HB PRO 86 -11.818 -7.334 -5.830 639 HG2 PRO 86 1HG PRO 86 -10.092 -9.741 -6.437 640 HG3 PRO 86 2HG PRO 86 -11.847 -9.527 -6.734 641 HD2 PRO 86 1HD PRO 86 -10.001 -9.181 -8.695 642 HD3 PRO 86 2HD PRO 86 -11.434 -8.100 -8.612 643 H ILE 87 H ILE 87 -8.623 -5.055 -5.139 644 HA ILE 87 HA ILE 87 -6.120 -6.547 -4.605 645 HB ILE 87 HB ILE 87 -5.181 -4.392 -3.885 646 HG12 ILE 87 1HG1 ILE 87 -7.513 -2.993 -5.222 647 HG13 ILE 87 2HG1 ILE 87 -7.496 -3.268 -3.477 648 HG21 ILE 87 1HG2 ILE 87 -4.885 -3.544 -6.201 649 HG22 ILE 87 2HG2 ILE 87 -4.796 -5.306 -6.114 650 HG23 ILE 87 3HG2 ILE 87 -6.262 -4.522 -6.736 651 HD11 ILE 87 1HD1 ILE 87 -5.417 -1.681 -5.043 652 HD12 ILE 87 2HD1 ILE 87 -6.693 -1.029 -4.005 653 HD13 ILE 87 3HD1 ILE 87 -5.387 -1.990 -3.290 654 H ARG 88 H ARG 88 -5.265 -6.856 -2.639 655 HA ARG 88 HA ARG 88 -7.051 -6.548 -0.245 656 HB2 ARG 88 1HB ARG 88 -6.580 -8.904 -1.045 657 HB3 ARG 88 2HB ARG 88 -4.865 -8.603 -0.785 658 HG2 ARG 88 1HG ARG 88 -5.599 -9.802 1.107 659 HG3 ARG 88 2HG ARG 88 -5.417 -8.140 1.667 660 HD2 ARG 88 1HD ARG 88 -7.927 -7.850 1.369 661 HD3 ARG 88 2HD ARG 88 -8.023 -9.537 0.896 662 HE ARG 88 HE ARG 88 -7.660 -10.217 3.104 663 HH11 ARG 88 1HH1 ARG 88 -7.469 -6.701 3.013 664 HH12 ARG 88 2HH1 ARG 88 -7.038 -6.603 4.694 665 HH21 ARG 88 1HH2 ARG 88 -7.346 -9.981 5.290 666 HH22 ARG 88 2HH2 ARG 88 -7.142 -8.395 5.973 667 H VAL 89 H VAL 89 -6.321 -5.272 1.359 668 HA VAL 89 HA VAL 89 -3.494 -4.315 1.236 669 HB VAL 89 HB VAL 89 -5.930 -2.576 1.723 670 HG11 VAL 89 1HG1 VAL 89 -4.365 -0.700 1.451 671 HG12 VAL 89 2HG1 VAL 89 -3.863 -1.721 2.794 672 HG13 VAL 89 3HG1 VAL 89 -3.008 -1.829 1.251 673 HG21 VAL 89 1HG2 VAL 89 -5.308 -1.579 -0.508 674 HG22 VAL 89 2HG2 VAL 89 -4.157 -2.911 -0.725 675 HG23 VAL 89 3HG2 VAL 89 -5.900 -3.235 -0.634 676 H ASN 90 H ASN 90 -2.407 -3.946 3.101 677 HA ASN 90 HA ASN 90 -3.676 -3.996 5.744 678 HB2 ASN 90 1HB ASN 90 -3.453 -6.450 4.887 679 HB3 ASN 90 2HB ASN 90 -1.721 -6.206 5.048 680 HD21 ASN 90 1HD2 ASN 90 -2.512 -8.241 6.441 681 HD22 ASN 90 2HD2 ASN 90 -2.871 -7.870 8.123 682 H LYS 91 H LYS 91 -1.770 -4.055 7.481 683 HA LYS 91 HA LYS 91 0.227 -2.006 6.907 684 HB2 LYS 91 1HB LYS 91 0.211 -4.091 9.127 685 HB3 LYS 91 2HB LYS 91 1.161 -2.610 9.106 686 HG2 LYS 91 1HG LYS 91 -1.877 -2.736 9.253 687 HG3 LYS 91 2HG LYS 91 -0.820 -2.618 10.643 688 HD2 LYS 91 1HD LYS 91 -0.424 -0.523 8.533 689 HD3 LYS 91 2HD LYS 91 -1.970 -0.488 9.370 690 HE2 LYS 91 1HE LYS 91 0.652 -0.480 10.895 691 HE3 LYS 91 2HE LYS 91 -0.108 0.984 10.264 692 HZ1 LYS 91 1HZ LYS 91 -2.189 0.197 11.500 693 HZ2 LYS 91 2HZ LYS 91 -0.976 0.828 12.382 694 HZ3 LYS 91 3HZ LYS 91 -1.174 -0.793 12.359 695 H ALA 92 H ALA 92 2.389 -2.218 6.314 696 HA ALA 92 HA ALA 92 3.314 -4.779 5.241 697 HB1 ALA 92 1HB ALA 92 4.820 -2.180 5.688 698 HB2 ALA 92 2HB ALA 92 5.331 -3.543 4.679 699 HB3 ALA 92 3HB ALA 92 3.898 -2.599 4.225 700 H SER 93 H SER 93 3.261 -3.404 8.401 701 HA SER 93 HA SER 93 5.349 -5.199 9.478 702 HB2 SER 93 1HB SER 93 4.719 -4.199 11.645 703 HB3 SER 93 2HB SER 93 5.234 -2.994 10.457 704 HG SER 93 HG SER 93 3.312 -2.479 11.694 705 H ALA 94 H ALA 94 2.017 -4.591 10.506 706 HA ALA 94 HA ALA 94 0.423 -5.867 11.443 707 HB1 ALA 94 1HB ALA 94 -0.338 -7.843 10.216 708 HB2 ALA 94 2HB ALA 94 0.068 -6.515 9.116 709 HB3 ALA 94 3HB ALA 94 1.188 -7.887 9.312 710 H HIS 95 H HIS 95 3.007 -5.955 12.668 711 HA HIS 95 HA HIS 95 3.561 -8.621 13.705 712 HB2 HIS 95 1HB HIS 95 4.484 -5.896 14.681 713 HB3 HIS 95 2HB HIS 95 5.219 -7.443 15.084 714 HD2 HIS 95 2HD HIS 95 5.299 -8.502 11.926 715 HE1 HIS 95 1HE HIS 95 8.020 -5.251 11.463 716 HE2 HIS 95 2HE HIS 95 7.203 -7.446 10.456 717 H ASN 96 H ASN 96 3.087 -9.455 15.775 718 HA ASN 96 HA ASN 96 1.042 -8.033 17.389 719 HB2 ASN 96 1HB ASN 96 0.785 -10.449 16.871 720 HB3 ASN 96 2HB ASN 96 2.291 -10.787 17.728 721 HD21 ASN 96 1HD2 ASN 96 0.720 -12.245 18.943 722 HD22 ASN 96 2HD2 ASN 96 -0.132 -11.516 20.297 723 H LYS 97 H LYS 97 2.329 -6.238 17.981 724 HA LYS 97 HA LYS 97 4.471 -6.783 20.009 725 HB2 LYS 97 1HB LYS 97 5.918 -5.157 19.003 726 HB3 LYS 97 2HB LYS 97 5.483 -6.399 17.836 727 HG2 LYS 97 1HG LYS 97 3.819 -4.836 16.808 728 HG3 LYS 97 2HG LYS 97 4.304 -3.578 17.962 729 HD2 LYS 97 1HD LYS 97 6.602 -3.611 17.094 730 HD3 LYS 97 2HD LYS 97 6.215 -4.976 16.036 731 HE2 LYS 97 1HE LYS 97 4.448 -3.476 14.939 732 HE3 LYS 97 2HE LYS 97 5.137 -2.129 15.854 733 HZ1 LYS 97 1HZ LYS 97 6.573 -3.831 13.883 734 HZ2 LYS 97 2HZ LYS 97 7.283 -2.628 14.755 735 HZ3 LYS 97 3HZ LYS 97 6.117 -2.268 13.662 736 H ASN 98 H ASN 98 1.596 -5.027 19.594 737 HA ASN 98 HA ASN 98 2.304 -2.847 21.396 738 HB2 ASN 98 1HB ASN 98 0.392 -2.860 19.706 739 HB3 ASN 98 2HB ASN 98 -0.465 -3.949 20.804 740 HD21 ASN 98 1HD2 ASN 98 -2.061 -2.079 20.662 741 HD22 ASN 98 2HD2 ASN 98 -1.822 -0.768 21.807 742 H LEU 99 H LEU 99 1.676 -2.635 23.620 743 HA LEU 99 HA LEU 99 0.901 -5.014 25.144 744 HB2 LEU 99 1HB LEU 99 2.876 -4.972 26.610 745 HB3 LEU 99 2HB LEU 99 3.136 -5.562 24.984 746 HG LEU 99 HG LEU 99 4.269 -3.473 24.340 747 HD11 LEU 99 1HD1 LEU 99 3.238 -1.815 25.750 748 HD12 LEU 99 2HD1 LEU 99 4.947 -1.884 26.180 749 HD13 LEU 99 3HD1 LEU 99 3.737 -2.671 27.228 750 HD21 LEU 99 1HD2 LEU 99 5.518 -5.374 25.291 751 HD22 LEU 99 2HD2 LEU 99 5.308 -4.705 26.924 752 HD23 LEU 99 3HD2 LEU 99 6.273 -3.826 25.711 753 H SER 100 H SER 100 0.680 -4.634 27.482 754 HA SER 100 HA SER 100 -0.770 -2.124 27.929 755 HB2 SER 100 1HB SER 100 -1.417 -3.278 30.060 756 HB3 SER 100 2HB SER 100 -1.850 -4.144 28.575 757 HG SER 100 HG SER 100 -0.900 -5.555 30.097 758 H GLY 101 H GLY 101 2.132 -3.703 29.250 759 HA2 GLY 101 1HA GLY 101 3.881 -2.944 30.522 760 HA3 GLY 101 2HA GLY 101 3.566 -1.368 29.805 761 HA PRO 102 HA PRO 102 1.037 -0.993 33.844 762 HB2 PRO 102 1HB PRO 102 0.626 -3.076 35.560 763 HB3 PRO 102 2HB PRO 102 -0.371 -2.817 34.095 764 HG2 PRO 102 1HG PRO 102 2.041 -4.647 34.398 765 HG3 PRO 102 2HG PRO 102 0.421 -5.057 33.744 766 HD2 PRO 102 1HD PRO 102 2.475 -4.395 32.095 767 HD3 PRO 102 2HD PRO 102 0.806 -3.839 31.763 768 H SER 103 H SER 103 1.705 -0.229 35.857 769 HA SER 103 HA SER 103 4.537 -0.440 36.502 770 HB2 SER 103 1HB SER 103 2.306 0.986 37.996 771 HB3 SER 103 2HB SER 103 4.046 1.256 38.185 772 HG SER 103 HG SER 103 4.119 2.010 36.036 773 H SER 104 H SER 104 1.735 -2.137 37.629 774 HA SER 104 HA SER 104 2.538 -2.661 40.325 775 HB2 SER 104 1HB SER 104 0.636 -4.233 38.550 776 HB3 SER 104 2HB SER 104 0.741 -4.314 40.318 777 HG SER 104 HG SER 104 -0.933 -2.903 39.625 778 H GLY 105 H GLY 105 3.302 -4.518 41.312 779 HA2 GLY 105 1HA GLY 105 5.329 -6.099 39.963 780 HA3 GLY 105 2HA GLY 105 4.780 -6.279 41.629 Start of MODEL 16 1 H1 GLY 1 1H GLY 1 -12.491 -11.252 20.554 2 H2 GLY 1 2H GLY 1 -13.242 -12.521 21.276 3 H3 GLY 1 3H GLY 1 -11.986 -11.775 22.020 4 HA2 GLY 1 1HA GLY 1 -14.625 -10.575 21.481 5 HA3 GLY 1 2HA GLY 1 -14.034 -11.103 23.068 6 H SER 2 H SER 2 -14.703 -8.381 21.584 7 HA SER 2 HA SER 2 -13.917 -6.273 21.328 8 HB2 SER 2 1HB SER 2 -12.402 -6.838 23.894 9 HB3 SER 2 2HB SER 2 -12.785 -5.242 23.223 10 HG SER 2 HG SER 2 -14.304 -5.913 24.819 11 H SER 3 H SER 3 -12.557 -8.140 19.785 12 HA SER 3 HA SER 3 -9.717 -7.990 19.967 13 HB2 SER 3 1HB SER 3 -11.393 -8.846 17.585 14 HB3 SER 3 2HB SER 3 -9.728 -9.323 17.960 15 HG SER 3 HG SER 3 -11.164 -10.947 18.576 16 H GLY 4 H GLY 4 -8.193 -7.221 18.408 17 HA2 GLY 4 1HA GLY 4 -8.972 -5.390 16.274 18 HA3 GLY 4 2HA GLY 4 -8.132 -4.596 17.609 19 H SER 5 H SER 5 -7.419 -5.216 14.725 20 HA SER 5 HA SER 5 -4.989 -6.912 15.025 21 HB2 SER 5 1HB SER 5 -5.306 -7.376 12.627 22 HB3 SER 5 2HB SER 5 -6.696 -7.848 13.617 23 HG SER 5 HG SER 5 -7.330 -6.715 11.714 24 H SER 6 H SER 6 -5.670 -3.651 14.742 25 HA SER 6 HA SER 6 -4.076 -2.806 12.594 26 HB2 SER 6 1HB SER 6 -4.743 -1.205 15.088 27 HB3 SER 6 2HB SER 6 -4.404 -0.582 13.464 28 HG SER 6 HG SER 6 -6.641 -0.653 13.820 29 H GLY 7 H GLY 7 -3.019 -3.558 15.842 30 HA2 GLY 7 1HA GLY 7 -1.051 -3.341 16.994 31 HA3 GLY 7 2HA GLY 7 -0.309 -3.733 15.447 32 HA PRO 8 HA PRO 8 -0.077 0.941 15.177 33 HB2 PRO 8 1HB PRO 8 -1.292 2.169 17.630 34 HB3 PRO 8 2HB PRO 8 -1.471 2.638 15.918 35 HG2 PRO 8 1HG PRO 8 -3.473 1.349 17.210 36 HG3 PRO 8 2HG PRO 8 -3.051 0.889 15.525 37 HD2 PRO 8 1HD PRO 8 -2.093 -0.407 18.108 38 HD3 PRO 8 2HD PRO 8 -2.892 -1.175 16.719 39 H ILE 9 H ILE 9 2.056 1.215 15.365 40 HA ILE 9 HA ILE 9 3.266 2.056 17.930 41 HB ILE 9 HB ILE 9 5.235 0.752 17.649 42 HG12 ILE 9 1HG1 ILE 9 3.784 -0.878 15.522 43 HG13 ILE 9 2HG1 ILE 9 5.048 0.313 15.180 44 HG21 ILE 9 1HG2 ILE 9 4.399 -1.289 18.614 45 HG22 ILE 9 2HG2 ILE 9 3.367 0.036 19.142 46 HG23 ILE 9 3HG2 ILE 9 2.806 -1.061 17.863 47 HD11 ILE 9 1HD1 ILE 9 5.371 -2.222 16.803 48 HD12 ILE 9 2HD1 ILE 9 6.120 -1.817 15.244 49 HD13 ILE 9 3HD1 ILE 9 6.580 -0.927 16.717 50 H SER 10 H SER 10 5.141 3.334 17.729 51 HA SER 10 HA SER 10 5.529 4.647 15.085 52 HB2 SER 10 1HB SER 10 6.445 6.508 16.431 53 HB3 SER 10 2HB SER 10 4.775 6.098 16.856 54 HG SER 10 HG SER 10 6.111 6.383 18.716 55 H GLU 11 H GLU 11 7.022 2.220 16.731 56 HA GLU 11 HA GLU 11 9.726 3.035 16.966 57 HB2 GLU 11 1HB GLU 11 8.544 1.123 18.108 58 HB3 GLU 11 2HB GLU 11 8.604 0.235 16.583 59 HG2 GLU 11 1HG GLU 11 11.115 0.357 16.665 60 HG3 GLU 11 2HG GLU 11 10.993 1.186 18.220 61 H ARG 12 H ARG 12 8.063 1.467 14.247 62 HA ARG 12 HA ARG 12 10.494 1.655 12.514 63 HB2 ARG 12 1HB ARG 12 8.863 -0.814 13.211 64 HB3 ARG 12 2HB ARG 12 9.740 -0.711 11.683 65 HG2 ARG 12 1HG ARG 12 11.860 -0.485 12.755 66 HG3 ARG 12 2HG ARG 12 11.138 -0.271 14.351 67 HD2 ARG 12 1HD ARG 12 10.791 -2.815 12.726 68 HD3 ARG 12 2HD ARG 12 12.131 -2.557 13.846 69 HE ARG 12 HE ARG 12 10.461 -2.223 15.681 70 HH11 ARG 12 1HH1 ARG 12 9.387 -4.199 12.970 71 HH12 ARG 12 2HH1 ARG 12 8.195 -4.990 13.966 72 HH21 ARG 12 1HH2 ARG 12 9.070 -3.192 16.793 73 HH22 ARG 12 2HH2 ARG 12 8.006 -4.445 16.142 74 H ASN 13 H ASN 13 10.148 1.784 10.323 75 HA ASN 13 HA ASN 13 7.689 3.109 9.586 76 HB2 ASN 13 1HB ASN 13 8.772 3.671 7.571 77 HB3 ASN 13 2HB ASN 13 9.978 3.811 8.841 78 HD21 ASN 13 1HD2 ASN 13 9.838 3.077 5.756 79 HD22 ASN 13 2HD2 ASN 13 10.947 1.700 5.678 80 H GLN 14 H GLN 14 8.309 -0.203 9.649 81 HA GLN 14 HA GLN 14 6.801 -1.015 7.315 82 HB2 GLN 14 1HB GLN 14 7.844 -2.364 9.806 83 HB3 GLN 14 2HB GLN 14 6.635 -3.181 8.826 84 HG2 GLN 14 1HG GLN 14 8.977 -3.809 8.230 85 HG3 GLN 14 2HG GLN 14 8.006 -3.218 6.885 86 HE21 GLN 14 1HE2 GLN 14 10.497 -2.075 9.282 87 HE22 GLN 14 2HE2 GLN 14 11.045 -0.767 8.227 88 H ASP 15 H ASP 15 5.722 0.407 10.230 89 HA ASP 15 HA ASP 15 2.912 -0.442 9.683 90 HB2 ASP 15 1HB ASP 15 4.237 0.943 12.031 91 HB3 ASP 15 2HB ASP 15 2.487 0.892 11.813 92 H ALA 16 H ALA 16 5.081 2.236 9.140 93 HA ALA 16 HA ALA 16 2.912 4.067 8.308 94 HB1 ALA 16 1HB ALA 16 4.976 4.940 9.402 95 HB2 ALA 16 2HB ALA 16 5.938 4.317 8.030 96 HB3 ALA 16 3HB ALA 16 4.724 5.587 7.769 97 H THR 17 H THR 17 4.853 1.543 6.958 98 HA THR 17 HA THR 17 4.047 2.207 4.182 99 HB THR 17 HB THR 17 5.735 -0.141 5.081 100 HG1 THR 17 1HG THR 17 6.767 1.738 5.665 101 HG21 THR 17 1HG2 THR 17 4.832 -0.313 2.761 102 HG22 THR 17 2HG2 THR 17 6.584 -0.063 2.752 103 HG23 THR 17 3HG2 THR 17 5.503 1.288 2.384 104 H VAL 18 H VAL 18 2.499 1.128 3.111 105 HA VAL 18 HA VAL 18 1.122 -1.146 4.479 106 HB VAL 18 HB VAL 18 -0.866 -0.695 3.262 107 HG11 VAL 18 1HG1 VAL 18 -1.526 1.442 4.218 108 HG12 VAL 18 2HG1 VAL 18 -0.447 0.607 5.356 109 HG13 VAL 18 3HG1 VAL 18 0.160 1.952 4.365 110 HG21 VAL 18 1HG2 VAL 18 0.033 0.184 1.121 111 HG22 VAL 18 2HG2 VAL 18 -1.197 1.247 1.810 112 HG23 VAL 18 3HG2 VAL 18 0.515 1.675 1.967 113 H TYR 19 H TYR 19 0.627 -2.955 3.329 114 HA TYR 19 HA TYR 19 2.158 -3.532 0.824 115 HB2 TYR 19 1HB TYR 19 2.619 -5.162 2.494 116 HB3 TYR 19 2HB TYR 19 0.954 -5.200 3.044 117 HD1 TYR 19 1HD TYR 19 -0.805 -6.404 1.783 118 HD2 TYR 19 2HD TYR 19 3.340 -6.542 0.591 119 HE1 TYR 19 1HE TYR 19 -1.270 -8.411 0.390 120 HE2 TYR 19 2HE TYR 19 2.876 -8.570 -0.771 121 HH TYR 19 HH TYR 19 1.301 -10.075 -1.475 122 H VAL 20 H VAL 20 1.053 -4.055 -1.009 123 HA VAL 20 HA VAL 20 -1.930 -4.222 -0.954 124 HB VAL 20 HB VAL 20 -0.336 -2.791 -3.115 125 HG11 VAL 20 1HG1 VAL 20 -2.431 -3.886 -3.868 126 HG12 VAL 20 2HG1 VAL 20 -3.325 -3.086 -2.568 127 HG13 VAL 20 3HG1 VAL 20 -2.601 -2.120 -3.868 128 HG21 VAL 20 1HG2 VAL 20 -2.081 -1.562 -0.946 129 HG22 VAL 20 2HG2 VAL 20 -0.316 -1.388 -1.086 130 HG23 VAL 20 3HG2 VAL 20 -1.361 -0.713 -2.333 131 H GLY 21 H GLY 21 -2.320 -6.300 -1.448 132 HA2 GLY 21 1HA GLY 21 -0.682 -7.712 -3.519 133 HA3 GLY 21 2HA GLY 21 -1.686 -8.480 -2.297 134 H GLY 22 H GLY 22 -1.653 -8.713 -5.255 135 HA2 GLY 22 1HA GLY 22 -3.439 -9.628 -6.526 136 HA3 GLY 22 2HA GLY 22 -4.615 -8.712 -5.583 137 H LEU 23 H LEU 23 -1.694 -7.515 -7.269 138 HA LEU 23 HA LEU 23 -3.236 -5.289 -8.395 139 HB2 LEU 23 1HB LEU 23 -0.265 -5.964 -8.388 140 HB3 LEU 23 2HB LEU 23 -0.954 -4.486 -9.050 141 HG LEU 23 HG LEU 23 -1.062 -5.342 -6.120 142 HD11 LEU 23 1HD1 LEU 23 0.472 -3.494 -5.763 143 HD12 LEU 23 2HD1 LEU 23 0.463 -3.101 -7.495 144 HD13 LEU 23 3HD1 LEU 23 1.158 -4.629 -6.941 145 HD21 LEU 23 1HD2 LEU 23 -2.252 -2.974 -7.602 146 HD22 LEU 23 2HD2 LEU 23 -1.810 -2.860 -5.901 147 HD23 LEU 23 3HD2 LEU 23 -3.011 -4.055 -6.420 148 H ASP 24 H ASP 24 -3.402 -4.752 -10.524 149 HA ASP 24 HA ASP 24 -3.259 -6.953 -12.446 150 HB2 ASP 24 1HB ASP 24 -5.248 -5.467 -12.306 151 HB3 ASP 24 2HB ASP 24 -4.237 -4.078 -12.702 152 H GLU 25 H GLU 25 -2.226 -6.707 -14.593 153 HA GLU 25 HA GLU 25 0.491 -5.908 -14.470 154 HB2 GLU 25 1HB GLU 25 0.571 -6.431 -16.827 155 HB3 GLU 25 2HB GLU 25 -0.348 -7.649 -15.947 156 HG2 GLU 25 1HG GLU 25 -2.475 -6.612 -16.735 157 HG3 GLU 25 2HG GLU 25 -1.551 -5.393 -17.616 158 H LYS 26 H LYS 26 -2.297 -3.915 -15.250 159 HA LYS 26 HA LYS 26 -0.721 -1.768 -16.487 160 HB2 LYS 26 1HB LYS 26 -3.595 -1.921 -15.508 161 HB3 LYS 26 2HB LYS 26 -2.895 -0.524 -16.333 162 HG2 LYS 26 1HG LYS 26 -2.344 -1.921 -18.298 163 HG3 LYS 26 2HG LYS 26 -3.073 -3.329 -17.531 164 HD2 LYS 26 1HD LYS 26 -4.511 -0.751 -18.281 165 HD3 LYS 26 2HD LYS 26 -4.563 -2.257 -19.193 166 HE2 LYS 26 1HE LYS 26 -5.650 -1.822 -16.377 167 HE3 LYS 26 2HE LYS 26 -6.600 -1.917 -17.862 168 HZ1 LYS 26 1HZ LYS 26 -6.655 -4.051 -16.820 169 HZ2 LYS 26 2HZ LYS 26 -5.042 -4.106 -16.602 170 HZ3 LYS 26 3HZ LYS 26 -5.680 -4.229 -18.119 171 H VAL 27 H VAL 27 -1.035 -2.702 -13.243 172 HA VAL 27 HA VAL 27 -1.012 -0.038 -12.044 173 HB VAL 27 HB VAL 27 -0.401 -2.767 -10.851 174 HG11 VAL 27 1HG1 VAL 27 -0.811 -1.643 -8.675 175 HG12 VAL 27 2HG1 VAL 27 0.667 -1.100 -9.452 176 HG13 VAL 27 3HG1 VAL 27 -0.781 -0.075 -9.484 177 HG21 VAL 27 1HG2 VAL 27 -2.899 -1.005 -10.736 178 HG22 VAL 27 2HG2 VAL 27 -2.743 -2.555 -11.590 179 HG23 VAL 27 3HG2 VAL 27 -2.671 -2.510 -9.831 180 H SER 28 H SER 28 0.678 1.197 -11.378 181 HA SER 28 HA SER 28 3.468 0.158 -11.585 182 HB2 SER 28 1HB SER 28 4.155 2.159 -12.753 183 HB3 SER 28 2HB SER 28 2.850 1.384 -13.662 184 HG SER 28 HG SER 28 2.446 3.602 -13.506 185 H GLU 29 H GLU 29 5.073 1.522 -10.400 186 HA GLU 29 HA GLU 29 4.256 2.236 -7.769 187 HB2 GLU 29 1HB GLU 29 6.708 2.578 -9.465 188 HB3 GLU 29 2HB GLU 29 6.554 3.724 -8.135 189 HG2 GLU 29 1HG GLU 29 6.521 1.970 -6.500 190 HG3 GLU 29 2HG GLU 29 6.302 0.748 -7.718 191 HA PRO 30 HA PRO 30 4.037 6.892 -9.153 192 HB2 PRO 30 1HB PRO 30 3.214 6.413 -12.025 193 HB3 PRO 30 2HB PRO 30 4.032 7.840 -11.309 194 HG2 PRO 30 1HG PRO 30 5.488 6.009 -12.653 195 HG3 PRO 30 2HG PRO 30 6.091 6.622 -11.074 196 HD2 PRO 30 1HD PRO 30 4.620 4.040 -11.652 197 HD3 PRO 30 2HD PRO 30 6.081 4.312 -10.662 198 H LEU 31 H LEU 31 1.898 4.334 -10.508 199 HA LEU 31 HA LEU 31 -0.554 5.844 -10.113 200 HB2 LEU 31 1HB LEU 31 -0.371 3.880 -11.671 201 HB3 LEU 31 2HB LEU 31 -0.110 2.833 -10.280 202 HG LEU 31 HG LEU 31 -2.391 3.571 -9.377 203 HD11 LEU 31 1HD1 LEU 31 -3.958 4.463 -11.075 204 HD12 LEU 31 2HD1 LEU 31 -2.601 4.654 -12.212 205 HD13 LEU 31 3HD1 LEU 31 -2.666 5.618 -10.713 206 HD21 LEU 31 1HD2 LEU 31 -2.074 1.417 -10.426 207 HD22 LEU 31 2HD2 LEU 31 -2.196 2.142 -12.052 208 HD23 LEU 31 3HD2 LEU 31 -3.608 2.102 -10.973 209 H LEU 32 H LEU 32 1.135 3.271 -8.254 210 HA LEU 32 HA LEU 32 -0.679 3.294 -6.047 211 HB2 LEU 32 1HB LEU 32 2.308 2.617 -6.033 212 HB3 LEU 32 2HB LEU 32 1.130 2.204 -4.790 213 HG LEU 32 HG LEU 32 1.333 1.069 -7.566 214 HD11 LEU 32 1HD1 LEU 32 2.776 0.140 -5.788 215 HD12 LEU 32 2HD1 LEU 32 1.551 -1.028 -6.335 216 HD13 LEU 32 3HD1 LEU 32 1.329 -0.172 -4.791 217 HD21 LEU 32 1HD2 LEU 32 -1.023 1.349 -7.238 218 HD22 LEU 32 2HD2 LEU 32 -0.914 0.834 -5.533 219 HD23 LEU 32 3HD2 LEU 32 -0.664 -0.339 -6.837 220 H TRP 33 H TRP 33 1.952 5.475 -6.769 221 HA TRP 33 HA TRP 33 1.904 6.750 -4.158 222 HB2 TRP 33 1HB TRP 33 3.739 6.779 -5.948 223 HB3 TRP 33 2HB TRP 33 2.810 7.998 -6.783 224 HD1 TRP 33 HD TRP 33 2.043 9.876 -4.302 225 HE1 TRP 33 1HE TRP 33 3.887 11.190 -3.065 226 HE3 TRP 33 3HE TRP 33 6.047 7.084 -5.705 227 HZ2 TRP 33 2HZ TRP 33 6.773 11.077 -2.805 228 HZ3 TRP 33 3HZ TRP 33 8.367 7.704 -4.977 229 HH2 TRP 33 HH TRP 33 8.726 9.700 -3.537 230 H GLU 34 H GLU 34 0.786 8.007 -7.317 231 HA GLU 34 HA GLU 34 -0.638 10.184 -6.169 232 HB2 GLU 34 1HB GLU 34 -0.925 8.884 -8.914 233 HB3 GLU 34 2HB GLU 34 -1.654 10.426 -8.440 234 HG2 GLU 34 1HG GLU 34 0.654 11.234 -7.811 235 HG3 GLU 34 2HG GLU 34 1.325 9.799 -8.575 236 H LEU 35 H LEU 35 -1.844 6.945 -6.895 237 HA LEU 35 HA LEU 35 -4.641 7.569 -6.520 238 HB2 LEU 35 1HB LEU 35 -3.522 5.466 -7.612 239 HB3 LEU 35 2HB LEU 35 -3.334 4.887 -5.964 240 HG LEU 35 HG LEU 35 -5.925 5.321 -5.799 241 HD11 LEU 35 1HD1 LEU 35 -6.152 6.550 -7.925 242 HD12 LEU 35 2HD1 LEU 35 -7.130 5.075 -7.912 243 HD13 LEU 35 3HD1 LEU 35 -5.598 5.113 -8.812 244 HD21 LEU 35 1HD2 LEU 35 -4.807 3.063 -7.502 245 HD22 LEU 35 2HD2 LEU 35 -6.393 3.077 -6.691 246 HD23 LEU 35 3HD2 LEU 35 -4.917 3.092 -5.723 247 H PHE 36 H PHE 36 -2.015 6.786 -4.254 248 HA PHE 36 HA PHE 36 -3.869 6.383 -1.993 249 HB2 PHE 36 1HB PHE 36 -0.947 5.920 -2.488 250 HB3 PHE 36 2HB PHE 36 -1.540 5.975 -0.875 251 HD1 PHE 36 1HD PHE 36 -2.432 4.042 0.161 252 HD2 PHE 36 2HD PHE 36 -2.197 4.194 -4.133 253 HE1 PHE 36 1HE PHE 36 -3.175 1.681 0.038 254 HE2 PHE 36 2HE PHE 36 -2.890 1.817 -4.256 255 HZ PHE 36 HZ PHE 36 -3.428 0.570 -2.171 256 H LEU 37 H LEU 37 -2.150 9.047 -3.306 257 HA LEU 37 HA LEU 37 -1.824 10.686 -1.023 258 HB2 LEU 37 1HB LEU 37 -2.636 11.283 -3.891 259 HB3 LEU 37 2HB LEU 37 -2.343 12.554 -2.710 260 HG LEU 37 HG LEU 37 -0.271 10.551 -3.652 261 HD11 LEU 37 1HD1 LEU 37 0.758 12.476 -4.737 262 HD12 LEU 37 2HD1 LEU 37 -0.517 13.548 -4.111 263 HD13 LEU 37 3HD1 LEU 37 -0.912 12.303 -5.310 264 HD21 LEU 37 1HD2 LEU 37 -0.060 12.895 -1.723 265 HD22 LEU 37 2HD2 LEU 37 1.326 12.009 -2.410 266 HD23 LEU 37 3HD2 LEU 37 0.183 11.178 -1.347 267 H GLN 38 H GLN 38 -4.761 9.506 -2.318 268 HA GLN 38 HA GLN 38 -6.648 11.409 -1.260 269 HB2 GLN 38 1HB GLN 38 -6.986 8.396 -1.622 270 HB3 GLN 38 2HB GLN 38 -8.278 9.594 -1.457 271 HG2 GLN 38 1HG GLN 38 -7.494 10.674 -3.588 272 HG3 GLN 38 2HG GLN 38 -6.276 9.390 -3.717 273 HE21 GLN 38 1HE2 GLN 38 -6.943 7.254 -4.282 274 HE22 GLN 38 2HE2 GLN 38 -8.579 6.928 -4.877 275 H ALA 39 H ALA 39 -4.933 8.654 0.205 276 HA ALA 39 HA ALA 39 -6.513 8.685 2.663 277 HB1 ALA 39 1HB ALA 39 -4.914 7.003 3.404 278 HB2 ALA 39 2HB ALA 39 -5.425 6.625 1.744 279 HB3 ALA 39 3HB ALA 39 -3.845 7.357 2.036 280 H GLY 40 H GLY 40 -3.210 9.717 1.756 281 HA2 GLY 40 1HA GLY 40 -3.092 12.002 3.461 282 HA3 GLY 40 2HA GLY 40 -2.321 10.626 4.262 283 HA PRO 41 HA PRO 41 0.729 12.773 1.405 284 HB2 PRO 41 1HB PRO 41 2.731 13.231 3.230 285 HB3 PRO 41 2HB PRO 41 1.342 14.330 2.974 286 HG2 PRO 41 1HG PRO 41 1.625 12.166 5.081 287 HG3 PRO 41 2HG PRO 41 1.146 13.876 5.318 288 HD2 PRO 41 1HD PRO 41 -0.671 11.865 5.123 289 HD3 PRO 41 2HD PRO 41 -1.011 13.447 4.359 290 H VAL 42 H VAL 42 1.394 11.169 0.153 291 HA VAL 42 HA VAL 42 2.793 8.779 1.169 292 HB VAL 42 HB VAL 42 2.124 9.597 -1.675 293 HG11 VAL 42 1HG1 VAL 42 3.263 7.004 -0.535 294 HG12 VAL 42 2HG1 VAL 42 2.640 7.196 -2.182 295 HG13 VAL 42 3HG1 VAL 42 4.063 8.099 -1.684 296 HG21 VAL 42 1HG2 VAL 42 0.425 7.835 -1.573 297 HG22 VAL 42 2HG2 VAL 42 0.836 7.504 0.124 298 HG23 VAL 42 3HG2 VAL 42 0.097 9.052 -0.340 299 H VAL 43 H VAL 43 4.868 8.474 1.156 300 HA VAL 43 HA VAL 43 6.708 10.715 0.446 301 HB VAL 43 HB VAL 43 7.226 8.386 2.332 302 HG11 VAL 43 1HG1 VAL 43 9.224 9.686 1.724 303 HG12 VAL 43 2HG1 VAL 43 8.397 11.198 2.182 304 HG13 VAL 43 3HG1 VAL 43 8.786 9.983 3.413 305 HG21 VAL 43 1HG2 VAL 43 5.991 11.075 3.050 306 HG22 VAL 43 2HG2 VAL 43 5.230 9.471 3.184 307 HG23 VAL 43 3HG2 VAL 43 6.612 9.863 4.199 308 H ASN 44 H ASN 44 6.183 7.261 -0.015 309 HA ASN 44 HA ASN 44 8.148 7.017 -2.164 310 HB2 ASN 44 1HB ASN 44 9.658 6.912 -0.286 311 HB3 ASN 44 2HB ASN 44 8.584 5.885 0.628 312 HD21 ASN 44 1HD2 ASN 44 9.637 4.003 0.927 313 HD22 ASN 44 2HD2 ASN 44 10.410 3.087 -0.378 314 H THR 45 H THR 45 8.101 4.830 -3.114 315 HA THR 45 HA THR 45 5.871 3.017 -2.404 316 HB THR 45 HB THR 45 5.416 2.741 -4.907 317 HG1 THR 45 1HG THR 45 7.178 4.138 -5.555 318 HG21 THR 45 1HG2 THR 45 4.420 5.343 -3.770 319 HG22 THR 45 2HG2 THR 45 3.777 3.722 -3.386 320 HG23 THR 45 3HG2 THR 45 3.711 4.306 -5.047 321 H HIS 46 H HIS 46 6.146 0.856 -3.229 322 HA HIS 46 HA HIS 46 8.677 0.271 -4.674 323 HB2 HIS 46 1HB HIS 46 9.026 0.115 -2.107 324 HB3 HIS 46 2HB HIS 46 7.969 -1.278 -2.167 325 HD2 HIS 46 2HD HIS 46 11.468 -0.129 -3.253 326 HE1 HIS 46 1HE HIS 46 11.259 -4.303 -4.115 327 HE2 HIS 46 2HE HIS 46 12.798 -2.275 -4.017 328 H MET 47 H MET 47 8.394 -1.225 -6.238 329 HA MET 47 HA MET 47 6.215 -3.281 -5.976 330 HB2 MET 47 1HB MET 47 6.900 -1.472 -8.295 331 HB3 MET 47 2HB MET 47 6.126 -3.034 -8.554 332 HG2 MET 47 1HG MET 47 4.961 -1.132 -6.514 333 HG3 MET 47 2HG MET 47 4.636 -0.877 -8.212 334 HE1 MET 47 1HE MET 47 2.845 -1.957 -9.550 335 HE2 MET 47 2HE MET 47 4.045 -3.253 -9.748 336 HE3 MET 47 3HE MET 47 2.361 -3.657 -9.335 337 HA PRO 48 HA PRO 48 10.069 -5.660 -6.448 338 HB2 PRO 48 1HB PRO 48 8.082 -7.832 -5.757 339 HB3 PRO 48 2HB PRO 48 9.778 -7.639 -5.209 340 HG2 PRO 48 1HG PRO 48 7.770 -6.898 -3.577 341 HG3 PRO 48 2HG PRO 48 9.170 -5.801 -3.778 342 HD2 PRO 48 1HD PRO 48 6.470 -5.672 -5.157 343 HD3 PRO 48 2HD PRO 48 7.381 -4.359 -4.353 344 H LYS 49 H LYS 49 10.876 -6.943 -8.067 345 HA LYS 49 HA LYS 49 9.101 -7.427 -10.425 346 HB2 LYS 49 1HB LYS 49 12.042 -6.643 -10.291 347 HB3 LYS 49 2HB LYS 49 11.181 -7.040 -11.770 348 HG2 LYS 49 1HG LYS 49 10.649 -4.646 -9.971 349 HG3 LYS 49 2HG LYS 49 11.384 -4.665 -11.572 350 HD2 LYS 49 1HD LYS 49 9.078 -5.807 -12.284 351 HD3 LYS 49 2HD LYS 49 8.498 -5.085 -10.781 352 HE2 LYS 49 1HE LYS 49 7.974 -3.552 -12.511 353 HE3 LYS 49 2HE LYS 49 9.333 -2.844 -11.630 354 HZ1 LYS 49 1HZ LYS 49 9.570 -2.775 -14.102 355 HZ2 LYS 49 2HZ LYS 49 9.619 -4.417 -14.152 356 HZ3 LYS 49 3HZ LYS 49 10.804 -3.579 -13.402 357 H ASP 50 H ASP 50 9.607 -9.016 -11.896 358 HA ASP 50 HA ASP 50 10.718 -11.529 -10.815 359 HB2 ASP 50 1HB ASP 50 8.584 -11.541 -11.982 360 HB3 ASP 50 2HB ASP 50 9.318 -10.811 -13.408 361 H ARG 51 H ARG 51 12.579 -12.490 -11.423 362 HA ARG 51 HA ARG 51 14.573 -10.805 -12.717 363 HB2 ARG 51 1HB ARG 51 16.199 -12.312 -11.847 364 HB3 ARG 51 2HB ARG 51 15.010 -11.929 -10.605 365 HG2 ARG 51 1HG ARG 51 13.894 -14.139 -11.009 366 HG3 ARG 51 2HG ARG 51 15.090 -14.495 -12.262 367 HD2 ARG 51 1HD ARG 51 15.734 -15.633 -10.276 368 HD3 ARG 51 2HD ARG 51 16.906 -14.360 -10.573 369 HE ARG 51 HE ARG 51 14.770 -14.401 -8.463 370 HH11 ARG 51 1HH1 ARG 51 17.750 -12.909 -9.569 371 HH12 ARG 51 2HH1 ARG 51 17.950 -12.019 -8.085 372 HH21 ARG 51 1HH2 ARG 51 15.096 -13.239 -6.612 373 HH22 ARG 51 2HH2 ARG 51 16.487 -12.208 -6.462 374 H VAL 52 H VAL 52 12.436 -12.465 -14.357 375 HA VAL 52 HA VAL 52 14.367 -13.429 -16.445 376 HB VAL 52 HB VAL 52 11.781 -14.831 -15.649 377 HG11 VAL 52 1HG1 VAL 52 12.612 -16.634 -17.137 378 HG12 VAL 52 2HG1 VAL 52 12.317 -15.143 -18.026 379 HG13 VAL 52 3HG1 VAL 52 13.983 -15.606 -17.610 380 HG21 VAL 52 1HG2 VAL 52 14.676 -15.617 -15.099 381 HG22 VAL 52 2HG2 VAL 52 13.421 -15.239 -13.893 382 HG23 VAL 52 3HG2 VAL 52 13.270 -16.686 -14.884 383 H THR 53 H THR 53 11.129 -12.162 -15.679 384 HA THR 53 HA THR 53 10.733 -11.385 -18.535 385 HB THR 53 HB THR 53 8.348 -11.356 -18.038 386 HG1 THR 53 1HG THR 53 9.094 -12.349 -15.488 387 HG21 THR 53 1HG2 THR 53 9.549 -13.985 -17.070 388 HG22 THR 53 2HG2 THR 53 9.340 -13.513 -18.771 389 HG23 THR 53 3HG2 THR 53 7.922 -13.723 -17.728 390 H GLY 54 H GLY 54 11.287 -10.122 -15.383 391 HA2 GLY 54 1HA GLY 54 11.653 -8.004 -14.682 392 HA3 GLY 54 2HA GLY 54 11.449 -7.459 -16.350 393 H GLN 55 H GLN 55 8.689 -9.135 -15.321 394 HA GLN 55 HA GLN 55 7.073 -6.687 -15.107 395 HB2 GLN 55 1HB GLN 55 6.203 -9.594 -14.877 396 HB3 GLN 55 2HB GLN 55 5.176 -8.189 -15.161 397 HG2 GLN 55 1HG GLN 55 7.176 -9.443 -17.077 398 HG3 GLN 55 2HG GLN 55 5.432 -9.381 -17.240 399 HE21 GLN 55 1HE2 GLN 55 8.331 -7.877 -18.217 400 HE22 GLN 55 2HE2 GLN 55 7.606 -6.379 -18.799 401 H HIS 56 H HIS 56 5.433 -6.493 -13.284 402 HA HIS 56 HA HIS 56 6.824 -6.798 -10.741 403 HB2 HIS 56 1HB HIS 56 5.141 -5.562 -9.729 404 HB3 HIS 56 2HB HIS 56 5.426 -4.812 -11.290 405 HD2 HIS 56 2HD HIS 56 3.236 -4.181 -12.543 406 HE1 HIS 56 1HE HIS 56 0.499 -6.779 -10.566 407 HE2 HIS 56 2HE HIS 56 0.707 -4.876 -12.224 408 H GLN 57 H GLN 57 6.042 -7.844 -8.876 409 HA GLN 57 HA GLN 57 5.412 -10.607 -9.513 410 HB2 GLN 57 1HB GLN 57 6.292 -9.149 -7.007 411 HB3 GLN 57 2HB GLN 57 6.027 -10.889 -7.035 412 HG2 GLN 57 1HG GLN 57 7.906 -9.588 -9.043 413 HG3 GLN 57 2HG GLN 57 8.434 -9.991 -7.427 414 HE21 GLN 57 1HE2 GLN 57 10.007 -11.381 -8.555 415 HE22 GLN 57 2HE2 GLN 57 9.470 -13.004 -9.005 416 H GLY 58 H GLY 58 3.143 -8.440 -9.381 417 HA2 GLY 58 1HA GLY 58 0.850 -8.739 -9.139 418 HA3 GLY 58 2HA GLY 58 1.111 -10.216 -8.213 419 H TYR 59 H TYR 59 3.052 -7.910 -6.787 420 HA TYR 59 HA TYR 59 0.983 -6.598 -5.172 421 HB2 TYR 59 1HB TYR 59 1.909 -7.297 -3.058 422 HB3 TYR 59 2HB TYR 59 1.407 -8.698 -3.978 423 HD1 TYR 59 1HD TYR 59 4.218 -6.971 -2.394 424 HD2 TYR 59 2HD TYR 59 3.109 -10.210 -5.021 425 HE1 TYR 59 1HE TYR 59 6.431 -8.042 -2.016 426 HE2 TYR 59 2HE TYR 59 5.351 -11.239 -4.696 427 HH TYR 59 HH TYR 59 7.825 -9.787 -2.544 428 H GLY 60 H GLY 60 1.766 -4.917 -3.841 429 HA2 GLY 60 1HA GLY 60 4.370 -3.633 -4.535 430 HA3 GLY 60 2HA GLY 60 2.873 -2.792 -4.872 431 H PHE 61 H PHE 61 4.405 -1.437 -3.311 432 HA PHE 61 HA PHE 61 3.058 -1.475 -0.670 433 HB2 PHE 61 1HB PHE 61 6.038 -1.074 -1.097 434 HB3 PHE 61 2HB PHE 61 5.200 -0.920 0.426 435 HD1 PHE 61 1HD PHE 61 6.475 -3.313 -2.092 436 HD2 PHE 61 2HD PHE 61 4.550 -2.863 1.741 437 HE1 PHE 61 1HE PHE 61 6.981 -5.682 -1.558 438 HE2 PHE 61 2HE PHE 61 5.079 -5.232 2.281 439 HZ PHE 61 HZ PHE 61 6.284 -6.647 0.629 440 H VAL 62 H VAL 62 2.878 0.521 0.359 441 HA VAL 62 HA VAL 62 3.783 2.981 -1.082 442 HB VAL 62 HB VAL 62 0.991 2.697 0.098 443 HG11 VAL 62 1HG1 VAL 62 0.599 4.823 -1.060 444 HG12 VAL 62 2HG1 VAL 62 1.886 4.990 0.125 445 HG13 VAL 62 3HG1 VAL 62 2.284 4.855 -1.610 446 HG21 VAL 62 1HG2 VAL 62 0.195 2.820 -2.264 447 HG22 VAL 62 2HG2 VAL 62 1.875 2.578 -2.790 448 HG23 VAL 62 3HG2 VAL 62 1.019 1.308 -1.888 449 H GLU 63 H GLU 63 4.737 4.421 0.263 450 HA GLU 63 HA GLU 63 4.600 3.901 3.202 451 HB2 GLU 63 1HB GLU 63 6.756 3.533 2.044 452 HB3 GLU 63 2HB GLU 63 6.753 5.254 1.590 453 HG2 GLU 63 1HG GLU 63 6.952 5.969 3.851 454 HG3 GLU 63 2HG GLU 63 6.548 4.370 4.479 455 H PHE 64 H PHE 64 3.620 5.297 4.440 456 HA PHE 64 HA PHE 64 2.983 8.025 3.465 457 HB2 PHE 64 1HB PHE 64 1.871 6.269 5.677 458 HB3 PHE 64 2HB PHE 64 1.464 7.963 5.500 459 HD1 PHE 64 1HD PHE 64 0.226 8.817 3.581 460 HD2 PHE 64 2HD PHE 64 1.046 4.611 4.012 461 HE1 PHE 64 1HE PHE 64 -1.483 8.304 1.842 462 HE2 PHE 64 2HE PHE 64 -0.673 4.099 2.280 463 HZ PHE 64 HZ PHE 64 -1.956 5.970 1.222 464 H LEU 65 H LEU 65 3.138 9.825 4.888 465 HA LEU 65 HA LEU 65 5.639 10.132 6.176 466 HB2 LEU 65 1HB LEU 65 4.029 11.900 5.205 467 HB3 LEU 65 2HB LEU 65 3.131 11.746 6.723 468 HG LEU 65 HG LEU 65 5.311 12.359 7.926 469 HD11 LEU 65 1HD1 LEU 65 6.903 11.942 6.075 470 HD12 LEU 65 2HD1 LEU 65 6.963 13.634 6.581 471 HD13 LEU 65 3HD1 LEU 65 6.097 13.188 5.095 472 HD21 LEU 65 1HD2 LEU 65 5.015 14.773 7.475 473 HD22 LEU 65 2HD2 LEU 65 3.452 13.953 7.610 474 HD23 LEU 65 3HD2 LEU 65 4.085 14.392 6.007 475 H SER 66 H SER 66 2.517 9.145 7.521 476 HA SER 66 HA SER 66 3.819 8.497 10.116 477 HB2 SER 66 1HB SER 66 1.172 9.975 9.926 478 HB3 SER 66 2HB SER 66 2.048 9.508 11.389 479 HG SER 66 HG SER 66 2.352 11.720 10.850 480 H GLU 67 H GLU 67 2.720 6.953 11.378 481 HA GLU 67 HA GLU 67 1.610 4.752 9.959 482 HB2 GLU 67 1HB GLU 67 2.911 4.588 11.962 483 HB3 GLU 67 2HB GLU 67 1.722 5.474 12.903 484 HG2 GLU 67 1HG GLU 67 1.072 2.836 11.529 485 HG3 GLU 67 2HG GLU 67 1.889 2.873 13.083 486 H GLU 68 H GLU 68 -0.063 7.375 11.728 487 HA GLU 68 HA GLU 68 -2.659 6.156 11.604 488 HB2 GLU 68 1HB GLU 68 -3.521 8.322 12.239 489 HB3 GLU 68 2HB GLU 68 -2.098 7.918 13.196 490 HG2 GLU 68 1HG GLU 68 -0.715 9.407 11.721 491 HG3 GLU 68 2HG GLU 68 -2.175 9.845 10.830 492 H ASP 69 H ASP 69 -0.835 7.894 9.176 493 HA ASP 69 HA ASP 69 -3.139 8.324 7.389 494 HB2 ASP 69 1HB ASP 69 -0.136 8.630 7.043 495 HB3 ASP 69 2HB ASP 69 -1.290 8.937 5.763 496 H ALA 70 H ALA 70 -0.601 5.863 7.894 497 HA ALA 70 HA ALA 70 -1.228 4.346 5.491 498 HB1 ALA 70 1HB ALA 70 0.193 3.608 8.095 499 HB2 ALA 70 2HB ALA 70 0.204 2.643 6.615 500 HB3 ALA 70 3HB ALA 70 0.957 4.250 6.630 501 H ASP 71 H ASP 71 -2.145 4.093 8.957 502 HA ASP 71 HA ASP 71 -3.800 1.806 8.729 503 HB2 ASP 71 1HB ASP 71 -2.815 3.071 10.786 504 HB3 ASP 71 2HB ASP 71 -4.307 4.012 10.725 505 H TYR 72 H TYR 72 -4.503 5.155 7.950 506 HA TYR 72 HA TYR 72 -7.384 4.731 7.562 507 HB2 TYR 72 1HB TYR 72 -6.382 6.919 8.239 508 HB3 TYR 72 2HB TYR 72 -5.572 7.002 6.673 509 HD1 TYR 72 1HD TYR 72 -6.683 8.013 4.857 510 HD2 TYR 72 2HD TYR 72 -8.993 6.622 8.215 511 HE1 TYR 72 1HE TYR 72 -8.746 8.989 3.838 512 HE2 TYR 72 2HE TYR 72 -11.055 7.591 7.202 513 HH TYR 72 HH TYR 72 -11.947 8.748 5.436 514 H ALA 73 H ALA 73 -4.450 4.702 5.468 515 HA ALA 73 HA ALA 73 -5.889 4.689 2.981 516 HB1 ALA 73 1HB ALA 73 -3.155 3.495 3.607 517 HB2 ALA 73 2HB ALA 73 -3.785 3.999 2.020 518 HB3 ALA 73 3HB ALA 73 -3.458 5.212 3.273 519 H ILE 74 H ILE 74 -4.798 2.116 5.149 520 HA ILE 74 HA ILE 74 -5.701 -0.181 3.742 521 HB ILE 74 HB ILE 74 -5.453 0.448 6.711 522 HG12 ILE 74 1HG1 ILE 74 -3.611 -1.222 4.964 523 HG13 ILE 74 2HG1 ILE 74 -3.408 0.528 5.128 524 HG21 ILE 74 1HG2 ILE 74 -6.962 -1.462 6.531 525 HG22 ILE 74 2HG2 ILE 74 -5.887 -2.250 5.361 526 HG23 ILE 74 3HG2 ILE 74 -5.392 -2.045 7.054 527 HD11 ILE 74 1HD1 ILE 74 -3.032 0.327 7.495 528 HD12 ILE 74 2HD1 ILE 74 -3.275 -1.437 7.436 529 HD13 ILE 74 3HD1 ILE 74 -1.906 -0.683 6.598 530 H LYS 75 H LYS 75 -7.509 2.071 5.842 531 HA LYS 75 HA LYS 75 -9.955 0.548 5.903 532 HB2 LYS 75 1HB LYS 75 -9.365 2.159 7.619 533 HB3 LYS 75 2HB LYS 75 -9.370 3.489 6.460 534 HG2 LYS 75 1HG LYS 75 -11.736 3.321 6.111 535 HG3 LYS 75 2HG LYS 75 -11.820 1.817 7.051 536 HD2 LYS 75 1HD LYS 75 -11.121 3.064 9.086 537 HD3 LYS 75 2HD LYS 75 -11.027 4.564 8.133 538 HE2 LYS 75 1HE LYS 75 -13.441 4.371 7.589 539 HE3 LYS 75 2HE LYS 75 -13.538 2.864 8.509 540 HZ1 LYS 75 1HZ LYS 75 -14.287 4.754 9.834 541 HZ2 LYS 75 2HZ LYS 75 -12.855 5.518 9.664 542 HZ3 LYS 75 3HZ LYS 75 -12.945 4.122 10.512 543 H ILE 76 H ILE 76 -8.788 3.028 3.621 544 HA ILE 76 HA ILE 76 -11.414 2.996 2.251 545 HB ILE 76 HB ILE 76 -10.628 4.946 1.063 546 HG12 ILE 76 1HG1 ILE 76 -8.148 5.024 2.799 547 HG13 ILE 76 2HG1 ILE 76 -8.135 4.294 1.202 548 HG21 ILE 76 1HG2 ILE 76 -10.243 5.235 4.079 549 HG22 ILE 76 2HG2 ILE 76 -10.747 6.498 2.943 550 HG23 ILE 76 3HG2 ILE 76 -11.815 5.126 3.257 551 HD11 ILE 76 1HD1 ILE 76 -9.054 6.451 0.280 552 HD12 ILE 76 2HD1 ILE 76 -8.747 7.169 1.889 553 HD13 ILE 76 3HD1 ILE 76 -7.411 6.511 0.916 554 H MET 77 H MET 77 -8.298 1.623 1.638 555 HA MET 77 HA MET 77 -8.913 1.256 -1.263 556 HB2 MET 77 1HB MET 77 -6.421 1.027 0.385 557 HB3 MET 77 2HB MET 77 -6.455 0.602 -1.316 558 HG2 MET 77 1HG MET 77 -7.485 3.317 -0.540 559 HG3 MET 77 2HG MET 77 -5.757 3.028 -0.556 560 HE1 MET 77 1HE MET 77 -5.135 4.637 -2.129 561 HE2 MET 77 2HE MET 77 -5.761 4.881 -3.761 562 HE3 MET 77 3HE MET 77 -6.764 5.320 -2.362 563 H ASP 78 H ASP 78 -9.408 -0.655 1.444 564 HA ASP 78 HA ASP 78 -8.257 -3.122 0.354 565 HB2 ASP 78 1HB ASP 78 -8.172 -2.663 2.741 566 HB3 ASP 78 2HB ASP 78 -9.940 -2.733 2.836 567 H MET 79 H MET 79 -9.197 -4.896 -0.447 568 HA MET 79 HA MET 79 -10.498 -6.159 -1.670 569 HB2 MET 79 1HB MET 79 -11.742 -6.140 0.585 570 HB3 MET 79 2HB MET 79 -12.992 -5.223 -0.260 571 HG2 MET 79 1HG MET 79 -13.242 -7.062 -1.888 572 HG3 MET 79 2HG MET 79 -11.903 -7.935 -1.147 573 HE1 MET 79 1HE MET 79 -12.361 -7.823 1.981 574 HE2 MET 79 2HE MET 79 -13.356 -9.279 2.181 575 HE3 MET 79 3HE MET 79 -11.998 -9.285 1.035 576 H ILE 80 H ILE 80 -10.134 -3.264 -2.463 577 HA ILE 80 HA ILE 80 -12.390 -2.721 -4.251 578 HB ILE 80 HB ILE 80 -10.011 -1.265 -3.151 579 HG12 ILE 80 1HG1 ILE 80 -12.948 -0.511 -3.394 580 HG13 ILE 80 2HG1 ILE 80 -12.353 -1.515 -2.089 581 HG21 ILE 80 1HG2 ILE 80 -9.869 -0.637 -5.487 582 HG22 ILE 80 2HG2 ILE 80 -11.607 -0.220 -5.509 583 HG23 ILE 80 3HG2 ILE 80 -10.451 0.701 -4.506 584 HD11 ILE 80 1HD1 ILE 80 -12.547 0.786 -1.345 585 HD12 ILE 80 2HD1 ILE 80 -10.867 0.235 -1.305 586 HD13 ILE 80 3HD1 ILE 80 -11.412 1.329 -2.596 587 H LYS 81 H LYS 81 -12.322 -2.511 -6.472 588 HA LYS 81 HA LYS 81 -10.479 -4.485 -7.672 589 HB2 LYS 81 1HB LYS 81 -13.151 -3.405 -8.600 590 HB3 LYS 81 2HB LYS 81 -12.178 -4.635 -9.438 591 HG2 LYS 81 1HG LYS 81 -12.279 -6.041 -7.328 592 HG3 LYS 81 2HG LYS 81 -13.422 -4.866 -6.665 593 HD2 LYS 81 1HD LYS 81 -14.818 -6.536 -7.501 594 HD3 LYS 81 2HD LYS 81 -14.839 -5.325 -8.792 595 HE2 LYS 81 1HE LYS 81 -12.961 -6.670 -9.906 596 HE3 LYS 81 2HE LYS 81 -13.200 -7.902 -8.667 597 HZ1 LYS 81 1HZ LYS 81 -14.461 -8.418 -10.676 598 HZ2 LYS 81 2HZ LYS 81 -15.288 -7.014 -10.589 599 HZ3 LYS 81 3HZ LYS 81 -15.495 -8.158 -9.442 600 H LEU 82 H LEU 82 -8.777 -2.816 -7.565 601 HA LEU 82 HA LEU 82 -8.690 -0.669 -9.447 602 HB2 LEU 82 1HB LEU 82 -7.082 -0.985 -7.547 603 HB3 LEU 82 2HB LEU 82 -6.408 -2.391 -8.362 604 HG LEU 82 HG LEU 82 -5.548 -0.977 -10.175 605 HD11 LEU 82 1HD1 LEU 82 -5.631 1.519 -9.940 606 HD12 LEU 82 2HD1 LEU 82 -6.809 1.332 -8.626 607 HD13 LEU 82 3HD1 LEU 82 -7.209 0.818 -10.284 608 HD21 LEU 82 1HD2 LEU 82 -4.902 0.144 -7.410 609 HD22 LEU 82 2HD2 LEU 82 -3.879 0.271 -8.855 610 HD23 LEU 82 3HD2 LEU 82 -4.189 -1.315 -8.129 611 H TYR 83 H TYR 83 -8.522 -0.721 -11.713 612 HA TYR 83 HA TYR 83 -9.045 -1.736 -13.689 613 HB2 TYR 83 1HB TYR 83 -6.443 -3.171 -13.133 614 HB3 TYR 83 2HB TYR 83 -7.161 -2.904 -14.710 615 HD1 TYR 83 1HD TYR 83 -7.759 -0.302 -15.227 616 HD2 TYR 83 2HD TYR 83 -4.689 -1.750 -12.568 617 HE1 TYR 83 1HE TYR 83 -6.484 1.811 -15.547 618 HE2 TYR 83 2HE TYR 83 -3.399 0.349 -12.917 619 HH TYR 83 HH TYR 83 -4.590 2.991 -15.026 620 H GLY 84 H GLY 84 -10.420 -3.256 -11.549 621 HA2 GLY 84 1HA GLY 84 -12.003 -4.924 -11.794 622 HA3 GLY 84 2HA GLY 84 -11.208 -5.504 -13.244 623 H LYS 85 H LYS 85 -9.115 -5.379 -10.459 624 HA LYS 85 HA LYS 85 -9.507 -8.225 -9.790 625 HB2 LYS 85 1HB LYS 85 -6.905 -6.763 -10.329 626 HB3 LYS 85 2HB LYS 85 -6.995 -8.269 -9.401 627 HG2 LYS 85 1HG LYS 85 -8.022 -9.443 -11.293 628 HG3 LYS 85 2HG LYS 85 -8.039 -7.948 -12.238 629 HD2 LYS 85 1HD LYS 85 -5.531 -7.872 -12.108 630 HD3 LYS 85 2HD LYS 85 -5.555 -9.372 -11.179 631 HE2 LYS 85 1HE LYS 85 -5.016 -9.947 -13.433 632 HE3 LYS 85 2HE LYS 85 -6.652 -10.530 -13.112 633 HZ1 LYS 85 1HZ LYS 85 -5.992 -7.999 -14.547 634 HZ2 LYS 85 2HZ LYS 85 -7.503 -8.588 -14.318 635 HZ3 LYS 85 3HZ LYS 85 -6.451 -9.391 -15.276 636 HA PRO 86 HA PRO 86 -10.140 -5.962 -6.000 637 HB2 PRO 86 1HB PRO 86 -10.731 -8.043 -4.302 638 HB3 PRO 86 2HB PRO 86 -11.837 -7.409 -5.558 639 HG2 PRO 86 1HG PRO 86 -10.012 -9.814 -5.724 640 HG3 PRO 86 2HG PRO 86 -11.728 -9.680 -6.225 641 HD2 PRO 86 1HD PRO 86 -9.673 -9.460 -8.010 642 HD3 PRO 86 2HD PRO 86 -11.133 -8.438 -8.193 643 H ILE 87 H ILE 87 -8.448 -4.962 -5.092 644 HA ILE 87 HA ILE 87 -6.033 -6.412 -4.397 645 HB ILE 87 HB ILE 87 -4.991 -4.365 -3.974 646 HG12 ILE 87 1HG1 ILE 87 -7.727 -3.041 -3.946 647 HG13 ILE 87 2HG1 ILE 87 -6.589 -3.192 -2.616 648 HG21 ILE 87 1HG2 ILE 87 -6.841 -3.927 -6.350 649 HG22 ILE 87 2HG2 ILE 87 -5.199 -3.297 -6.134 650 HG23 ILE 87 3HG2 ILE 87 -5.454 -5.033 -6.337 651 HD11 ILE 87 1HD1 ILE 87 -4.970 -1.761 -3.867 652 HD12 ILE 87 2HD1 ILE 87 -6.224 -1.490 -5.103 653 HD13 ILE 87 3HD1 ILE 87 -6.484 -0.943 -3.442 654 H ARG 88 H ARG 88 -5.076 -6.627 -2.391 655 HA ARG 88 HA ARG 88 -6.851 -6.346 0.024 656 HB2 ARG 88 1HB ARG 88 -5.240 -8.641 -0.996 657 HB3 ARG 88 2HB ARG 88 -5.010 -8.273 0.704 658 HG2 ARG 88 1HG ARG 88 -6.748 -9.956 0.388 659 HG3 ARG 88 2HG ARG 88 -7.337 -8.520 1.207 660 HD2 ARG 88 1HD ARG 88 -9.005 -9.379 -0.366 661 HD3 ARG 88 2HD ARG 88 -8.497 -7.755 -0.786 662 HE ARG 88 HE ARG 88 -7.762 -8.527 -2.828 663 HH11 ARG 88 1HH1 ARG 88 -7.975 -11.403 -0.817 664 HH12 ARG 88 2HH1 ARG 88 -7.672 -12.448 -2.177 665 HH21 ARG 88 1HH2 ARG 88 -7.467 -9.854 -4.442 666 HH22 ARG 88 2HH2 ARG 88 -7.361 -11.590 -4.204 667 H VAL 89 H VAL 89 -6.152 -5.104 1.600 668 HA VAL 89 HA VAL 89 -3.352 -4.072 1.442 669 HB VAL 89 HB VAL 89 -5.775 -2.365 2.074 670 HG11 VAL 89 1HG1 VAL 89 -2.929 -1.644 1.227 671 HG12 VAL 89 2HG1 VAL 89 -4.239 -0.504 1.606 672 HG13 VAL 89 3HG1 VAL 89 -3.551 -1.522 2.869 673 HG21 VAL 89 1HG2 VAL 89 -4.291 -2.722 -0.558 674 HG22 VAL 89 2HG2 VAL 89 -6.008 -3.075 -0.261 675 HG23 VAL 89 3HG2 VAL 89 -5.438 -1.408 -0.223 676 H ASN 90 H ASN 90 -2.224 -3.797 3.242 677 HA ASN 90 HA ASN 90 -3.369 -3.649 5.922 678 HB2 ASN 90 1HB ASN 90 -2.207 -5.740 6.744 679 HB3 ASN 90 2HB ASN 90 -3.576 -6.030 5.694 680 HD21 ASN 90 1HD2 ASN 90 0.053 -6.009 5.725 681 HD22 ASN 90 2HD2 ASN 90 0.132 -7.158 4.401 682 H LYS 91 H LYS 91 -1.485 -3.668 7.623 683 HA LYS 91 HA LYS 91 0.612 -1.818 6.901 684 HB2 LYS 91 1HB LYS 91 0.747 -3.794 9.205 685 HB3 LYS 91 2HB LYS 91 1.548 -2.244 9.079 686 HG2 LYS 91 1HG LYS 91 -1.452 -2.674 9.411 687 HG3 LYS 91 2HG LYS 91 -0.337 -2.314 10.707 688 HD2 LYS 91 1HD LYS 91 -0.222 -0.325 8.504 689 HD3 LYS 91 2HD LYS 91 -1.814 -0.470 9.253 690 HE2 LYS 91 1HE LYS 91 0.685 -0.046 10.895 691 HE3 LYS 91 2HE LYS 91 -0.249 1.282 10.200 692 HZ1 LYS 91 1HZ LYS 91 -1.238 -0.679 12.197 693 HZ2 LYS 91 2HZ LYS 91 -2.230 0.357 11.390 694 HZ3 LYS 91 3HZ LYS 91 -1.075 0.956 12.360 695 H ALA 92 H ALA 92 2.798 -2.176 6.332 696 HA ALA 92 HA ALA 92 3.131 -4.300 4.523 697 HB1 ALA 92 1HB ALA 92 5.217 -2.450 5.740 698 HB2 ALA 92 2HB ALA 92 5.445 -3.442 4.287 699 HB3 ALA 92 3HB ALA 92 4.235 -2.151 4.284 700 H SER 93 H SER 93 4.214 -4.178 7.889 701 HA SER 93 HA SER 93 4.681 -7.118 7.731 702 HB2 SER 93 1HB SER 93 6.522 -5.298 9.315 703 HB3 SER 93 2HB SER 93 6.606 -7.055 9.177 704 HG SER 93 HG SER 93 6.985 -6.766 6.904 705 H ALA 94 H ALA 94 2.311 -6.447 8.369 706 HA ALA 94 HA ALA 94 1.588 -5.428 10.833 707 HB1 ALA 94 1HB ALA 94 -0.534 -6.617 10.496 708 HB2 ALA 94 2HB ALA 94 0.048 -5.971 8.950 709 HB3 ALA 94 3HB ALA 94 0.232 -7.698 9.314 710 H HIS 95 H HIS 95 1.151 -6.152 12.874 711 HA HIS 95 HA HIS 95 1.962 -8.875 13.729 712 HB2 HIS 95 1HB HIS 95 3.356 -7.866 15.541 713 HB3 HIS 95 2HB HIS 95 4.003 -7.659 13.919 714 HD2 HIS 95 2HD HIS 95 3.934 -5.195 12.830 715 HE1 HIS 95 1HE HIS 95 3.006 -3.050 16.384 716 HE2 HIS 95 2HE HIS 95 3.762 -2.826 13.946 717 H ASN 96 H ASN 96 0.963 -9.642 15.521 718 HA ASN 96 HA ASN 96 -0.723 -7.908 17.212 719 HB2 ASN 96 1HB ASN 96 -1.965 -8.612 15.037 720 HB3 ASN 96 2HB ASN 96 -1.960 -10.248 15.688 721 HD21 ASN 96 1HD2 ASN 96 -2.741 -6.881 16.734 722 HD22 ASN 96 2HD2 ASN 96 -4.312 -7.321 17.400 723 H LYS 97 H LYS 97 1.581 -10.074 17.374 724 HA LYS 97 HA LYS 97 0.363 -12.272 18.855 725 HB2 LYS 97 1HB LYS 97 2.190 -12.552 17.200 726 HB3 LYS 97 2HB LYS 97 3.289 -11.667 18.266 727 HG2 LYS 97 1HG LYS 97 3.053 -13.421 19.993 728 HG3 LYS 97 2HG LYS 97 1.861 -14.271 18.985 729 HD2 LYS 97 1HD LYS 97 3.591 -14.607 17.236 730 HD3 LYS 97 2HD LYS 97 4.776 -13.743 18.239 731 HE2 LYS 97 1HE LYS 97 4.489 -15.442 20.033 732 HE3 LYS 97 2HE LYS 97 3.309 -16.301 19.035 733 HZ1 LYS 97 1HZ LYS 97 6.163 -15.884 18.313 734 HZ2 LYS 97 2HZ LYS 97 5.071 -16.677 17.390 735 HZ3 LYS 97 3HZ LYS 97 5.519 -17.287 18.835 736 H ASN 98 H ASN 98 0.470 -12.786 20.937 737 HA ASN 98 HA ASN 98 2.260 -11.434 22.819 738 HB2 ASN 98 1HB ASN 98 0.557 -10.849 24.415 739 HB3 ASN 98 2HB ASN 98 0.157 -10.071 22.896 740 HD21 ASN 98 1HD2 ASN 98 -1.187 -11.763 25.460 741 HD22 ASN 98 2HD2 ASN 98 -2.614 -12.353 24.614 742 H LEU 99 H LEU 99 2.661 -12.681 24.722 743 HA LEU 99 HA LEU 99 2.484 -15.549 24.288 744 HB2 LEU 99 1HB LEU 99 4.438 -14.304 25.155 745 HB3 LEU 99 2HB LEU 99 3.584 -13.963 26.653 746 HG LEU 99 HG LEU 99 4.092 -16.812 25.681 747 HD11 LEU 99 1HD1 LEU 99 6.109 -16.819 27.100 748 HD12 LEU 99 2HD1 LEU 99 5.878 -15.091 27.453 749 HD13 LEU 99 3HD1 LEU 99 6.251 -15.631 25.800 750 HD21 LEU 99 1HD2 LEU 99 4.057 -17.311 28.144 751 HD22 LEU 99 2HD2 LEU 99 2.513 -16.717 27.562 752 HD23 LEU 99 3HD2 LEU 99 3.594 -15.625 28.456 753 H SER 100 H SER 100 1.093 -13.322 26.705 754 HA SER 100 HA SER 100 -1.280 -15.002 27.052 755 HB2 SER 100 1HB SER 100 0.479 -15.878 28.687 756 HB3 SER 100 2HB SER 100 0.380 -14.308 29.507 757 HG SER 100 HG SER 100 -1.037 -15.928 30.392 758 H GLY 101 H GLY 101 -2.711 -13.857 28.818 759 HA2 GLY 101 1HA GLY 101 -3.026 -11.008 28.106 760 HA3 GLY 101 2HA GLY 101 -4.103 -11.973 29.112 761 HA PRO 102 HA PRO 102 -1.290 -9.255 31.821 762 HB2 PRO 102 1HB PRO 102 -3.035 -7.306 32.597 763 HB3 PRO 102 2HB PRO 102 -2.088 -7.211 31.080 764 HG2 PRO 102 1HG PRO 102 -4.951 -8.170 31.427 765 HG3 PRO 102 2HG PRO 102 -4.323 -6.975 30.247 766 HD2 PRO 102 1HD PRO 102 -4.696 -9.593 29.586 767 HD3 PRO 102 2HD PRO 102 -3.314 -8.660 28.937 768 H SER 103 H SER 103 -1.367 -9.205 34.119 769 HA SER 103 HA SER 103 -2.851 -11.311 35.381 770 HB2 SER 103 1HB SER 103 -1.272 -9.050 36.662 771 HB3 SER 103 2HB SER 103 -1.752 -10.567 37.440 772 HG SER 103 HG SER 103 -0.426 -11.694 35.975 773 H SER 104 H SER 104 -4.445 -11.275 36.970 774 HA SER 104 HA SER 104 -6.499 -9.288 36.774 775 HB2 SER 104 1HB SER 104 -6.116 -11.462 38.865 776 HB3 SER 104 2HB SER 104 -7.613 -10.567 38.540 777 HG SER 104 HG SER 104 -7.570 -12.603 37.470 778 H GLY 105 H GLY 105 -7.335 -7.871 38.322 779 HA2 GLY 105 1HA GLY 105 -5.474 -6.352 39.944 780 HA3 GLY 105 2HA GLY 105 -7.219 -6.123 39.843 Start of MODEL 17 1 H1 GLY 1 1H GLY 1 16.160 2.003 25.041 2 H2 GLY 1 2H GLY 1 14.830 2.953 24.920 3 H3 GLY 1 3H GLY 1 16.317 3.632 25.047 4 HA2 GLY 1 1HA GLY 1 15.367 2.016 22.771 5 HA3 GLY 1 2HA GLY 1 15.519 3.782 22.777 6 H SER 2 H SER 2 16.801 2.179 20.877 7 HA SER 2 HA SER 2 19.605 1.768 21.572 8 HB2 SER 2 1HB SER 2 19.816 1.234 19.148 9 HB3 SER 2 2HB SER 2 18.601 0.274 20.004 10 HG SER 2 HG SER 2 17.825 1.057 17.986 11 H SER 3 H SER 3 21.378 2.755 20.374 12 HA SER 3 HA SER 3 21.304 5.646 20.470 13 HB2 SER 3 1HB SER 3 23.300 4.382 21.086 14 HB3 SER 3 2HB SER 3 23.434 3.737 19.437 15 HG SER 3 HG SER 3 24.760 5.637 19.937 16 H GLY 4 H GLY 4 21.466 7.156 18.835 17 HA2 GLY 4 1HA GLY 4 20.306 6.627 16.242 18 HA3 GLY 4 2HA GLY 4 21.068 8.126 16.781 19 H SER 5 H SER 5 23.543 6.223 17.393 20 HA SER 5 HA SER 5 24.896 6.621 14.840 21 HB2 SER 5 1HB SER 5 25.866 5.334 17.413 22 HB3 SER 5 2HB SER 5 26.876 5.793 16.030 23 HG SER 5 HG SER 5 26.866 7.398 17.681 24 H SER 6 H SER 6 22.757 4.246 15.528 25 HA SER 6 HA SER 6 24.175 1.824 14.981 26 HB2 SER 6 1HB SER 6 21.940 0.845 14.764 27 HB3 SER 6 2HB SER 6 22.049 1.903 16.181 28 HG SER 6 HG SER 6 20.137 2.312 15.021 29 H GLY 7 H GLY 7 22.949 4.247 12.770 30 HA2 GLY 7 1HA GLY 7 24.259 3.211 10.497 31 HA3 GLY 7 2HA GLY 7 22.589 2.635 10.435 32 HA PRO 8 HA PRO 8 23.041 6.836 8.416 33 HB2 PRO 8 1HB PRO 8 21.416 5.427 6.302 34 HB3 PRO 8 2HB PRO 8 22.761 6.592 6.103 35 HG2 PRO 8 1HG PRO 8 23.208 3.951 5.751 36 HG3 PRO 8 2HG PRO 8 24.381 4.924 6.701 37 HD2 PRO 8 1HD PRO 8 22.135 3.163 7.736 38 HD3 PRO 8 2HD PRO 8 23.849 3.218 8.244 39 H ILE 9 H ILE 9 20.220 4.851 9.067 40 HA ILE 9 HA ILE 9 18.599 7.241 9.654 41 HB ILE 9 HB ILE 9 17.999 6.852 7.389 42 HG12 ILE 9 1HG1 ILE 9 15.759 5.741 9.113 43 HG13 ILE 9 2HG1 ILE 9 16.235 7.446 9.050 44 HG21 ILE 9 1HG2 ILE 9 17.228 3.971 8.038 45 HG22 ILE 9 2HG2 ILE 9 17.106 4.784 6.470 46 HG23 ILE 9 3HG2 ILE 9 18.689 4.452 7.150 47 HD11 ILE 9 1HD1 ILE 9 15.086 5.799 6.762 48 HD12 ILE 9 2HD1 ILE 9 14.309 7.121 7.644 49 HD13 ILE 9 3HD1 ILE 9 15.705 7.462 6.601 50 H SER 10 H SER 10 17.677 7.064 11.549 51 HA SER 10 HA SER 10 17.043 4.400 12.736 52 HB2 SER 10 1HB SER 10 16.984 7.155 14.010 53 HB3 SER 10 2HB SER 10 16.780 5.602 14.835 54 HG SER 10 HG SER 10 18.927 5.067 14.205 55 H GLU 11 H GLU 11 15.475 6.986 11.099 56 HA GLU 11 HA GLU 11 12.844 6.605 12.333 57 HB2 GLU 11 1HB GLU 11 13.928 8.806 11.574 58 HB3 GLU 11 2HB GLU 11 13.499 8.334 9.931 59 HG2 GLU 11 1HG GLU 11 11.094 8.281 10.594 60 HG3 GLU 11 2HG GLU 11 11.544 8.597 12.268 61 H ARG 12 H ARG 12 13.875 4.273 11.172 62 HA ARG 12 HA ARG 12 12.785 3.821 8.502 63 HB2 ARG 12 1HB ARG 12 13.888 1.659 8.640 64 HB3 ARG 12 2HB ARG 12 14.964 2.999 9.020 65 HG2 ARG 12 1HG ARG 12 14.792 2.492 11.449 66 HG3 ARG 12 2HG ARG 12 13.641 1.198 11.103 67 HD2 ARG 12 1HD ARG 12 15.728 0.159 11.427 68 HD3 ARG 12 2HD ARG 12 15.398 0.084 9.691 69 HE ARG 12 HE ARG 12 16.993 2.420 10.453 70 HH11 ARG 12 1HH1 ARG 12 19.048 2.581 9.985 71 HH12 ARG 12 2HH1 ARG 12 19.995 1.200 9.443 72 HH21 ARG 12 1HH2 ARG 12 19.029 -0.801 9.289 73 HH22 ARG 12 2HH2 ARG 12 17.345 -0.991 9.695 74 H ASN 13 H ASN 13 10.663 4.474 9.962 75 HA ASN 13 HA ASN 13 9.288 2.331 11.278 76 HB2 ASN 13 1HB ASN 13 8.896 4.718 11.713 77 HB3 ASN 13 2HB ASN 13 8.240 4.934 10.087 78 HD21 ASN 13 1HD2 ASN 13 6.668 5.727 12.157 79 HD22 ASN 13 2HD2 ASN 13 5.374 4.561 12.403 80 H GLN 14 H GLN 14 8.823 0.479 10.257 81 HA GLN 14 HA GLN 14 7.910 0.403 7.485 82 HB2 GLN 14 1HB GLN 14 9.530 -1.219 8.572 83 HB3 GLN 14 2HB GLN 14 8.173 -1.856 9.493 84 HG2 GLN 14 1HG GLN 14 8.596 -3.298 7.610 85 HG3 GLN 14 2HG GLN 14 7.052 -2.512 7.353 86 HE21 GLN 14 1HE2 GLN 14 7.660 -3.400 5.078 87 HE22 GLN 14 2HE2 GLN 14 8.572 -2.295 4.059 88 H ASP 15 H ASP 15 6.276 0.536 10.585 89 HA ASP 15 HA ASP 15 3.747 -0.603 9.648 90 HB2 ASP 15 1HB ASP 15 4.565 1.052 12.058 91 HB3 ASP 15 2HB ASP 15 2.880 0.702 11.695 92 H ALA 16 H ALA 16 5.288 2.550 9.425 93 HA ALA 16 HA ALA 16 2.918 3.887 8.369 94 HB1 ALA 16 1HB ALA 16 4.467 5.711 7.870 95 HB2 ALA 16 2HB ALA 16 4.709 5.126 9.525 96 HB3 ALA 16 3HB ALA 16 5.856 4.667 8.240 97 H THR 17 H THR 17 4.607 1.365 7.074 98 HA THR 17 HA THR 17 4.018 2.203 4.272 99 HB THR 17 HB THR 17 5.789 -0.096 5.157 100 HG1 THR 17 1HG THR 17 6.707 1.948 5.554 101 HG21 THR 17 1HG2 THR 17 5.333 1.144 2.402 102 HG22 THR 17 2HG2 THR 17 4.802 -0.473 2.923 103 HG23 THR 17 3HG2 THR 17 6.527 -0.102 2.787 104 H VAL 18 H VAL 18 2.406 1.186 3.228 105 HA VAL 18 HA VAL 18 1.007 -1.069 4.609 106 HB VAL 18 HB VAL 18 -0.931 -0.655 3.321 107 HG11 VAL 18 1HG1 VAL 18 -1.583 1.554 4.106 108 HG12 VAL 18 2HG1 VAL 18 -0.566 0.773 5.335 109 HG13 VAL 18 3HG1 VAL 18 0.106 2.042 4.287 110 HG21 VAL 18 1HG2 VAL 18 0.023 0.065 1.155 111 HG22 VAL 18 2HG2 VAL 18 -1.176 1.220 1.747 112 HG23 VAL 18 3HG2 VAL 18 0.552 1.582 1.922 113 H TYR 19 H TYR 19 0.531 -2.934 3.531 114 HA TYR 19 HA TYR 19 2.132 -3.632 1.102 115 HB2 TYR 19 1HB TYR 19 2.523 -5.194 2.855 116 HB3 TYR 19 2HB TYR 19 0.837 -5.207 3.345 117 HD1 TYR 19 1HD TYR 19 -0.788 -6.645 2.334 118 HD2 TYR 19 2HD TYR 19 3.193 -6.371 0.690 119 HE1 TYR 19 1HE TYR 19 -1.242 -8.633 0.909 120 HE2 TYR 19 2HE TYR 19 2.741 -8.387 -0.711 121 HH TYR 19 HH TYR 19 -0.385 -10.121 -0.617 122 H VAL 20 H VAL 20 1.090 -4.216 -0.753 123 HA VAL 20 HA VAL 20 -1.900 -4.293 -0.847 124 HB VAL 20 HB VAL 20 -0.142 -2.898 -2.903 125 HG11 VAL 20 1HG1 VAL 20 -2.321 -2.153 -3.798 126 HG12 VAL 20 2HG1 VAL 20 -2.224 -3.923 -3.789 127 HG13 VAL 20 3HG1 VAL 20 -3.168 -3.087 -2.548 128 HG21 VAL 20 1HG2 VAL 20 -0.185 -1.502 -0.888 129 HG22 VAL 20 2HG2 VAL 20 -1.180 -0.797 -2.158 130 HG23 VAL 20 3HG2 VAL 20 -1.954 -1.646 -0.803 131 H GLY 21 H GLY 21 -2.300 -6.379 -1.341 132 HA2 GLY 21 1HA GLY 21 -0.629 -7.806 -3.375 133 HA3 GLY 21 2HA GLY 21 -1.679 -8.564 -2.191 134 H GLY 22 H GLY 22 -1.562 -8.769 -5.151 135 HA2 GLY 22 1HA GLY 22 -3.325 -9.704 -6.438 136 HA3 GLY 22 2HA GLY 22 -4.518 -8.791 -5.515 137 H LEU 23 H LEU 23 -1.592 -7.587 -7.175 138 HA LEU 23 HA LEU 23 -3.099 -5.349 -8.310 139 HB2 LEU 23 1HB LEU 23 -0.155 -6.128 -8.411 140 HB3 LEU 23 2HB LEU 23 -0.819 -4.627 -9.048 141 HG LEU 23 HG LEU 23 -0.810 -5.475 -6.114 142 HD11 LEU 23 1HD1 LEU 23 0.719 -3.296 -7.582 143 HD12 LEU 23 2HD1 LEU 23 1.389 -4.850 -7.056 144 HD13 LEU 23 3HD1 LEU 23 0.808 -3.684 -5.850 145 HD21 LEU 23 1HD2 LEU 23 -1.964 -3.042 -7.525 146 HD22 LEU 23 2HD2 LEU 23 -1.470 -2.996 -5.829 147 HD23 LEU 23 3HD2 LEU 23 -2.738 -4.120 -6.347 148 H ASP 24 H ASP 24 -3.352 -4.867 -10.445 149 HA ASP 24 HA ASP 24 -3.301 -7.107 -12.320 150 HB2 ASP 24 1HB ASP 24 -5.234 -5.539 -12.169 151 HB3 ASP 24 2HB ASP 24 -4.182 -4.208 -12.651 152 H GLU 25 H GLU 25 -2.279 -6.959 -14.482 153 HA GLU 25 HA GLU 25 0.456 -6.209 -14.413 154 HB2 GLU 25 1HB GLU 25 0.500 -6.814 -16.753 155 HB3 GLU 25 2HB GLU 25 -0.430 -7.985 -15.822 156 HG2 GLU 25 1HG GLU 25 -2.547 -6.935 -16.623 157 HG3 GLU 25 2HG GLU 25 -1.610 -5.767 -17.556 158 H LYS 26 H LYS 26 -2.305 -4.198 -15.213 159 HA LYS 26 HA LYS 26 -0.710 -2.112 -16.534 160 HB2 LYS 26 1HB LYS 26 -3.581 -2.199 -15.539 161 HB3 LYS 26 2HB LYS 26 -2.869 -0.840 -16.418 162 HG2 LYS 26 1HG LYS 26 -2.351 -2.309 -18.336 163 HG3 LYS 26 2HG LYS 26 -3.083 -3.684 -17.515 164 HD2 LYS 26 1HD LYS 26 -4.510 -1.124 -18.341 165 HD3 LYS 26 2HD LYS 26 -4.579 -2.660 -19.201 166 HE2 LYS 26 1HE LYS 26 -5.638 -2.123 -16.393 167 HE3 LYS 26 2HE LYS 26 -6.603 -2.260 -17.865 168 HZ1 LYS 26 1HZ LYS 26 -5.704 -4.587 -18.052 169 HZ2 LYS 26 2HZ LYS 26 -6.663 -4.357 -16.749 170 HZ3 LYS 26 3HZ LYS 26 -5.049 -4.418 -16.546 171 H VAL 27 H VAL 27 -1.003 -2.943 -13.263 172 HA VAL 27 HA VAL 27 -0.921 -0.245 -12.140 173 HB VAL 27 HB VAL 27 -0.287 -2.938 -10.876 174 HG11 VAL 27 1HG1 VAL 27 -0.592 -1.791 -8.731 175 HG12 VAL 27 2HG1 VAL 27 0.799 -1.155 -9.584 176 HG13 VAL 27 3HG1 VAL 27 -0.711 -0.229 -9.549 177 HG21 VAL 27 1HG2 VAL 27 -2.648 -2.758 -11.560 178 HG22 VAL 27 2HG2 VAL 27 -2.522 -2.657 -9.806 179 HG23 VAL 27 3HG2 VAL 27 -2.786 -1.183 -10.754 180 H SER 28 H SER 28 0.789 0.977 -11.565 181 HA SER 28 HA SER 28 3.551 -0.155 -11.639 182 HB2 SER 28 1HB SER 28 2.716 2.492 -12.887 183 HB3 SER 28 2HB SER 28 4.378 1.894 -12.721 184 HG SER 28 HG SER 28 3.500 1.489 -14.808 185 H GLU 29 H GLU 29 5.132 1.179 -10.399 186 HA GLU 29 HA GLU 29 4.168 1.833 -7.843 187 HB2 GLU 29 1HB GLU 29 6.744 2.309 -9.354 188 HB3 GLU 29 2HB GLU 29 6.542 3.165 -7.842 189 HG2 GLU 29 1HG GLU 29 6.703 1.321 -6.543 190 HG3 GLU 29 2HG GLU 29 5.827 0.308 -7.663 191 HA PRO 30 HA PRO 30 4.101 6.534 -8.903 192 HB2 PRO 30 1HB PRO 30 3.364 6.389 -11.825 193 HB3 PRO 30 2HB PRO 30 4.286 7.653 -10.951 194 HG2 PRO 30 1HG PRO 30 5.604 5.846 -12.464 195 HG3 PRO 30 2HG PRO 30 6.230 6.244 -10.827 196 HD2 PRO 30 1HD PRO 30 4.494 3.897 -11.650 197 HD3 PRO 30 2HD PRO 30 6.004 3.891 -10.690 198 H LEU 31 H LEU 31 1.976 4.093 -10.389 199 HA LEU 31 HA LEU 31 -0.480 5.642 -10.105 200 HB2 LEU 31 1HB LEU 31 -0.261 3.691 -11.684 201 HB3 LEU 31 2HB LEU 31 -0.071 2.627 -10.293 202 HG LEU 31 HG LEU 31 -2.379 3.377 -9.472 203 HD11 LEU 31 1HD1 LEU 31 -3.859 4.287 -11.228 204 HD12 LEU 31 2HD1 LEU 31 -2.451 4.476 -12.306 205 HD13 LEU 31 3HD1 LEU 31 -2.575 5.430 -10.802 206 HD21 LEU 31 1HD2 LEU 31 -2.028 1.955 -12.142 207 HD22 LEU 31 2HD2 LEU 31 -3.511 1.923 -11.170 208 HD23 LEU 31 3HD2 LEU 31 -2.025 1.227 -10.513 209 H LEU 32 H LEU 32 1.121 3.007 -8.253 210 HA LEU 32 HA LEU 32 -0.740 3.037 -6.087 211 HB2 LEU 32 1HB LEU 32 2.236 2.320 -6.034 212 HB3 LEU 32 2HB LEU 32 1.052 1.935 -4.788 213 HG LEU 32 HG LEU 32 1.248 0.779 -7.568 214 HD11 LEU 32 1HD1 LEU 32 1.455 -1.303 -6.320 215 HD12 LEU 32 2HD1 LEU 32 1.174 -0.454 -4.780 216 HD13 LEU 32 3HD1 LEU 32 2.654 -0.137 -5.721 217 HD21 LEU 32 1HD2 LEU 32 -0.768 -0.605 -6.833 218 HD22 LEU 32 2HD2 LEU 32 -1.114 1.086 -7.242 219 HD23 LEU 32 3HD2 LEU 32 -1.009 0.574 -5.535 220 H TRP 33 H TRP 33 1.911 5.187 -6.767 221 HA TRP 33 HA TRP 33 1.861 6.480 -4.166 222 HB2 TRP 33 1HB TRP 33 3.722 6.465 -5.902 223 HB3 TRP 33 2HB TRP 33 2.816 7.653 -6.806 224 HD1 TRP 33 HD TRP 33 2.024 9.613 -4.360 225 HE1 TRP 33 1HE TRP 33 3.874 11.005 -3.231 226 HE3 TRP 33 3HE TRP 33 6.046 6.830 -5.755 227 HZ2 TRP 33 2HZ TRP 33 6.768 10.981 -3.087 228 HZ3 TRP 33 3HZ TRP 33 8.371 7.549 -5.157 229 HH2 TRP 33 HH TRP 33 8.729 9.623 -3.832 230 H GLU 34 H GLU 34 0.786 7.731 -7.346 231 HA GLU 34 HA GLU 34 -0.619 9.934 -6.230 232 HB2 GLU 34 1HB GLU 34 -0.880 8.607 -8.962 233 HB3 GLU 34 2HB GLU 34 -1.625 10.150 -8.516 234 HG2 GLU 34 1HG GLU 34 0.660 10.985 -7.864 235 HG3 GLU 34 2HG GLU 34 1.359 9.545 -8.590 236 H LEU 35 H LEU 35 -1.856 6.706 -6.932 237 HA LEU 35 HA LEU 35 -4.651 7.361 -6.600 238 HB2 LEU 35 1HB LEU 35 -3.533 5.244 -7.664 239 HB3 LEU 35 2HB LEU 35 -3.377 4.680 -5.996 240 HG LEU 35 HG LEU 35 -5.937 5.089 -5.862 241 HD11 LEU 35 1HD1 LEU 35 -6.185 6.343 -7.971 242 HD12 LEU 35 2HD1 LEU 35 -7.143 4.855 -7.983 243 HD13 LEU 35 3HD1 LEU 35 -5.610 4.925 -8.878 244 HD21 LEU 35 1HD2 LEU 35 -4.911 2.878 -5.809 245 HD22 LEU 35 2HD2 LEU 35 -4.803 2.867 -7.586 246 HD23 LEU 35 3HD2 LEU 35 -6.390 2.856 -6.773 247 H PHE 36 H PHE 36 -2.063 6.570 -4.298 248 HA PHE 36 HA PHE 36 -3.944 6.183 -2.053 249 HB2 PHE 36 1HB PHE 36 -1.016 5.717 -2.520 250 HB3 PHE 36 2HB PHE 36 -1.621 5.791 -0.912 251 HD1 PHE 36 1HD PHE 36 -2.391 3.845 0.150 252 HD2 PHE 36 2HD PHE 36 -2.333 3.982 -4.149 253 HE1 PHE 36 1HE PHE 36 -3.103 1.469 0.066 254 HE2 PHE 36 2HE PHE 36 -3.008 1.597 -4.237 255 HZ PHE 36 HZ PHE 36 -3.429 0.346 -2.129 256 H LEU 37 H LEU 37 -2.182 8.827 -3.386 257 HA LEU 37 HA LEU 37 -1.830 10.495 -1.136 258 HB2 LEU 37 1HB LEU 37 -2.680 11.070 -3.997 259 HB3 LEU 37 2HB LEU 37 -2.372 12.349 -2.831 260 HG LEU 37 HG LEU 37 -0.308 10.338 -3.774 261 HD11 LEU 37 1HD1 LEU 37 -0.566 13.328 -4.273 262 HD12 LEU 37 2HD1 LEU 37 -0.975 12.067 -5.450 263 HD13 LEU 37 3HD1 LEU 37 0.702 12.250 -4.900 264 HD21 LEU 37 1HD2 LEU 37 1.300 11.817 -2.571 265 HD22 LEU 37 2HD2 LEU 37 0.165 11.007 -1.482 266 HD23 LEU 37 3HD2 LEU 37 -0.080 12.717 -1.887 267 H GLN 38 H GLN 38 -4.793 9.355 -2.425 268 HA GLN 38 HA GLN 38 -6.638 11.296 -1.369 269 HB2 GLN 38 1HB GLN 38 -7.065 8.301 -1.778 270 HB3 GLN 38 2HB GLN 38 -8.318 9.545 -1.642 271 HG2 GLN 38 1HG GLN 38 -7.414 10.617 -3.735 272 HG3 GLN 38 2HG GLN 38 -6.249 9.282 -3.837 273 HE21 GLN 38 1HE2 GLN 38 -6.973 7.198 -4.476 274 HE22 GLN 38 2HE2 GLN 38 -8.599 6.950 -5.137 275 H ALA 39 H ALA 39 -4.969 8.519 0.102 276 HA ALA 39 HA ALA 39 -6.570 8.571 2.549 277 HB1 ALA 39 1HB ALA 39 -5.500 6.499 1.650 278 HB2 ALA 39 2HB ALA 39 -3.911 7.222 1.927 279 HB3 ALA 39 3HB ALA 39 -4.971 6.885 3.305 280 H GLY 40 H GLY 40 -3.288 9.625 1.610 281 HA2 GLY 40 1HA GLY 40 -3.163 11.918 3.282 282 HA3 GLY 40 2HA GLY 40 -2.389 10.565 4.116 283 HA PRO 41 HA PRO 41 0.644 12.662 1.189 284 HB2 PRO 41 1HB PRO 41 2.643 13.186 3.003 285 HB3 PRO 41 2HB PRO 41 1.254 14.273 2.698 286 HG2 PRO 41 1HG PRO 41 1.525 12.187 4.884 287 HG3 PRO 41 2HG PRO 41 1.049 13.904 5.058 288 HD2 PRO 41 1HD PRO 41 -0.777 11.902 4.929 289 HD3 PRO 41 2HD PRO 41 -1.101 13.446 4.087 290 H VAL 42 H VAL 42 1.347 11.052 -0.015 291 HA VAL 42 HA VAL 42 2.767 8.698 1.066 292 HB VAL 42 HB VAL 42 2.049 9.420 -1.792 293 HG11 VAL 42 1HG1 VAL 42 3.254 6.882 -0.601 294 HG12 VAL 42 2HG1 VAL 42 2.598 7.015 -2.239 295 HG13 VAL 42 3HG1 VAL 42 4.013 7.957 -1.795 296 HG21 VAL 42 1HG2 VAL 42 0.825 7.364 0.089 297 HG22 VAL 42 2HG2 VAL 42 0.052 8.881 -0.418 298 HG23 VAL 42 3HG2 VAL 42 0.385 7.629 -1.613 299 H VAL 43 H VAL 43 4.845 8.381 0.981 300 HA VAL 43 HA VAL 43 6.652 10.633 0.214 301 HB VAL 43 HB VAL 43 7.192 8.346 2.146 302 HG11 VAL 43 1HG1 VAL 43 8.788 9.956 3.159 303 HG12 VAL 43 2HG1 VAL 43 9.204 9.592 1.478 304 HG13 VAL 43 3HG1 VAL 43 8.404 11.134 1.891 305 HG21 VAL 43 1HG2 VAL 43 5.222 9.494 2.991 306 HG22 VAL 43 2HG2 VAL 43 6.625 9.895 3.975 307 HG23 VAL 43 3HG2 VAL 43 6.009 11.077 2.792 308 H ASN 44 H ASN 44 6.153 7.159 -0.191 309 HA ASN 44 HA ASN 44 8.034 6.936 -2.407 310 HB2 ASN 44 1HB ASN 44 9.625 6.877 -0.586 311 HB3 ASN 44 2HB ASN 44 8.624 5.800 0.352 312 HD21 ASN 44 1HD2 ASN 44 9.736 3.932 0.561 313 HD22 ASN 44 2HD2 ASN 44 10.497 3.083 -0.794 314 H THR 45 H THR 45 7.963 4.754 -3.377 315 HA THR 45 HA THR 45 5.863 2.882 -2.456 316 HB THR 45 HB THR 45 5.310 2.481 -4.948 317 HG1 THR 45 1HG THR 45 5.336 4.410 -6.154 318 HG21 THR 45 1HG2 THR 45 3.488 3.964 -4.942 319 HG22 THR 45 2HG2 THR 45 4.253 5.041 -3.735 320 HG23 THR 45 3HG2 THR 45 3.729 3.395 -3.296 321 H HIS 46 H HIS 46 6.126 0.695 -3.214 322 HA HIS 46 HA HIS 46 8.638 0.074 -4.658 323 HB2 HIS 46 1HB HIS 46 8.960 0.037 -2.052 324 HB3 HIS 46 2HB HIS 46 7.946 -1.386 -2.092 325 HD2 HIS 46 2HD HIS 46 11.480 -0.242 -2.824 326 HE1 HIS 46 1HE HIS 46 11.330 -4.309 -4.105 327 HE2 HIS 46 2HE HIS 46 12.867 -2.329 -3.646 328 H MET 47 H MET 47 8.271 -1.481 -6.163 329 HA MET 47 HA MET 47 6.223 -3.595 -5.594 330 HB2 MET 47 1HB MET 47 6.493 -2.027 -8.170 331 HB3 MET 47 2HB MET 47 5.737 -3.619 -8.072 332 HG2 MET 47 1HG MET 47 4.058 -2.851 -6.551 333 HG3 MET 47 2HG MET 47 4.849 -1.291 -6.341 334 HE1 MET 47 1HE MET 47 2.477 -2.663 -10.041 335 HE2 MET 47 2HE MET 47 4.154 -3.196 -9.820 336 HE3 MET 47 3HE MET 47 2.915 -3.652 -8.624 337 HA PRO 48 HA PRO 48 10.138 -5.756 -6.379 338 HB2 PRO 48 1HB PRO 48 8.275 -8.020 -5.620 339 HB3 PRO 48 2HB PRO 48 10.002 -7.792 -5.189 340 HG2 PRO 48 1HG PRO 48 8.123 -7.137 -3.384 341 HG3 PRO 48 2HG PRO 48 9.446 -5.976 -3.694 342 HD2 PRO 48 1HD PRO 48 6.634 -5.961 -4.849 343 HD3 PRO 48 2HD PRO 48 7.542 -4.603 -4.106 344 H LYS 49 H LYS 49 10.909 -6.903 -8.137 345 HA LYS 49 HA LYS 49 8.983 -7.369 -10.382 346 HB2 LYS 49 1HB LYS 49 11.897 -6.535 -10.568 347 HB3 LYS 49 2HB LYS 49 10.755 -6.682 -11.895 348 HG2 LYS 49 1HG LYS 49 10.741 -4.592 -9.695 349 HG3 LYS 49 2HG LYS 49 11.136 -4.368 -11.400 350 HD2 LYS 49 1HD LYS 49 8.734 -5.081 -11.936 351 HD3 LYS 49 2HD LYS 49 8.399 -4.960 -10.207 352 HE2 LYS 49 1HE LYS 49 9.273 -2.727 -12.093 353 HE3 LYS 49 2HE LYS 49 7.703 -2.921 -11.309 354 HZ1 LYS 49 1HZ LYS 49 8.839 -1.351 -9.989 355 HZ2 LYS 49 2HZ LYS 49 10.259 -2.173 -10.024 356 HZ3 LYS 49 3HZ LYS 49 9.002 -2.736 -9.145 357 H ASP 50 H ASP 50 9.496 -8.868 -11.988 358 HA ASP 50 HA ASP 50 10.743 -11.382 -11.156 359 HB2 ASP 50 1HB ASP 50 8.713 -11.365 -12.533 360 HB3 ASP 50 2HB ASP 50 9.522 -10.400 -13.764 361 H ARG 51 H ARG 51 12.690 -12.234 -11.880 362 HA ARG 51 HA ARG 51 14.676 -10.264 -12.716 363 HB2 ARG 51 1HB ARG 51 16.321 -11.828 -12.006 364 HB3 ARG 51 2HB ARG 51 15.033 -11.777 -10.807 365 HG2 ARG 51 1HG ARG 51 14.097 -13.907 -11.748 366 HG3 ARG 51 2HG ARG 51 15.426 -13.946 -12.923 367 HD2 ARG 51 1HD ARG 51 17.064 -14.002 -11.030 368 HD3 ARG 51 2HD ARG 51 15.718 -14.016 -9.894 369 HE ARG 51 HE ARG 51 15.282 -16.246 -10.376 370 HH11 ARG 51 1HH1 ARG 51 17.651 -15.142 -12.718 371 HH12 ARG 51 2HH1 ARG 51 17.973 -16.759 -13.283 372 HH21 ARG 51 1HH2 ARG 51 15.744 -18.271 -11.148 373 HH22 ARG 51 2HH2 ARG 51 16.917 -18.477 -12.414 374 H VAL 52 H VAL 52 12.726 -11.770 -14.760 375 HA VAL 52 HA VAL 52 14.842 -12.219 -16.844 376 HB VAL 52 HB VAL 52 12.350 -13.929 -16.465 377 HG11 VAL 52 1HG1 VAL 52 13.434 -15.403 -18.140 378 HG12 VAL 52 2HG1 VAL 52 13.072 -13.816 -18.811 379 HG13 VAL 52 3HG1 VAL 52 14.740 -14.213 -18.337 380 HG21 VAL 52 1HG2 VAL 52 13.948 -15.763 -15.883 381 HG22 VAL 52 2HG2 VAL 52 15.257 -14.562 -15.801 382 HG23 VAL 52 3HG2 VAL 52 13.883 -14.493 -14.667 383 H THR 53 H THR 53 11.472 -11.366 -16.107 384 HA THR 53 HA THR 53 11.131 -10.196 -18.829 385 HB THR 53 HB THR 53 8.731 -10.445 -18.472 386 HG1 THR 53 1HG THR 53 9.459 -11.739 -16.054 387 HG21 THR 53 1HG2 THR 53 9.952 -12.370 -19.462 388 HG22 THR 53 2HG2 THR 53 8.514 -12.860 -18.546 389 HG23 THR 53 3HG2 THR 53 10.129 -13.081 -17.841 390 H GLY 54 H GLY 54 11.501 -9.374 -15.538 391 HA2 GLY 54 1HA GLY 54 11.646 -7.371 -14.506 392 HA3 GLY 54 2HA GLY 54 11.451 -6.606 -16.084 393 H GLN 55 H GLN 55 8.764 -8.571 -15.444 394 HA GLN 55 HA GLN 55 6.988 -6.295 -14.933 395 HB2 GLN 55 1HB GLN 55 6.318 -9.262 -15.025 396 HB3 GLN 55 2HB GLN 55 5.201 -7.906 -15.170 397 HG2 GLN 55 1HG GLN 55 7.295 -8.809 -17.186 398 HG3 GLN 55 2HG GLN 55 5.551 -8.856 -17.361 399 HE21 GLN 55 1HE2 GLN 55 8.351 -7.024 -18.093 400 HE22 GLN 55 2HE2 GLN 55 7.510 -5.540 -18.540 401 H HIS 56 H HIS 56 5.394 -6.330 -13.081 402 HA HIS 56 HA HIS 56 6.852 -6.797 -10.609 403 HB2 HIS 56 1HB HIS 56 5.098 -5.722 -9.473 404 HB3 HIS 56 2HB HIS 56 5.420 -4.827 -10.951 405 HD2 HIS 56 2HD HIS 56 3.314 -4.272 -12.413 406 HE1 HIS 56 1HE HIS 56 0.499 -6.882 -10.568 407 HE2 HIS 56 2HE HIS 56 0.777 -4.996 -12.229 408 H GLN 57 H GLN 57 6.173 -7.998 -8.783 409 HA GLN 57 HA GLN 57 5.496 -10.725 -9.518 410 HB2 GLN 57 1HB GLN 57 6.256 -9.449 -6.871 411 HB3 GLN 57 2HB GLN 57 6.028 -11.187 -7.121 412 HG2 GLN 57 1HG GLN 57 7.849 -11.216 -8.791 413 HG3 GLN 57 2HG GLN 57 8.119 -9.497 -8.537 414 HE21 GLN 57 1HE2 GLN 57 10.403 -10.213 -7.940 415 HE22 GLN 57 2HE2 GLN 57 10.637 -10.802 -6.299 416 H GLY 58 H GLY 58 3.243 -8.496 -9.304 417 HA2 GLY 58 1HA GLY 58 0.942 -8.794 -9.101 418 HA3 GLY 58 2HA GLY 58 1.181 -10.288 -8.201 419 H TYR 59 H TYR 59 3.116 -7.955 -6.752 420 HA TYR 59 HA TYR 59 1.029 -6.740 -5.074 421 HB2 TYR 59 1HB TYR 59 1.932 -7.500 -3.000 422 HB3 TYR 59 2HB TYR 59 1.552 -8.899 -3.979 423 HD1 TYR 59 1HD TYR 59 4.178 -7.046 -2.243 424 HD2 TYR 59 2HD TYR 59 3.408 -10.227 -5.060 425 HE1 TYR 59 1HE TYR 59 6.474 -7.943 -1.875 426 HE2 TYR 59 2HE TYR 59 5.723 -11.075 -4.733 427 HH TYR 59 HH TYR 59 7.747 -10.722 -3.737 428 H GLY 60 H GLY 60 1.852 -5.108 -3.623 429 HA2 GLY 60 1HA GLY 60 4.474 -3.869 -4.197 430 HA3 GLY 60 2HA GLY 60 3.025 -2.977 -4.668 431 H PHE 61 H PHE 61 4.396 -1.591 -3.104 432 HA PHE 61 HA PHE 61 3.043 -1.590 -0.474 433 HB2 PHE 61 1HB PHE 61 6.024 -1.170 -0.913 434 HB3 PHE 61 2HB PHE 61 5.184 -1.007 0.609 435 HD1 PHE 61 1HD PHE 61 4.495 -2.962 1.920 436 HD2 PHE 61 2HD PHE 61 6.542 -3.394 -1.851 437 HE1 PHE 61 1HE PHE 61 5.035 -5.324 2.479 438 HE2 PHE 61 2HE PHE 61 7.074 -5.750 -1.293 439 HZ PHE 61 HZ PHE 61 6.316 -6.724 0.870 440 H VAL 62 H VAL 62 2.840 0.446 0.490 441 HA VAL 62 HA VAL 62 3.757 2.846 -1.038 442 HB VAL 62 HB VAL 62 0.968 2.684 0.153 443 HG11 VAL 62 1HG1 VAL 62 0.615 4.721 -1.151 444 HG12 VAL 62 2HG1 VAL 62 1.916 4.936 0.012 445 HG13 VAL 62 3HG1 VAL 62 2.295 4.675 -1.711 446 HG21 VAL 62 1HG2 VAL 62 1.805 2.316 -2.734 447 HG22 VAL 62 2HG2 VAL 62 0.942 1.142 -1.717 448 HG23 VAL 62 3HG2 VAL 62 0.145 2.638 -2.196 449 H GLU 63 H GLU 63 4.772 4.279 0.202 450 HA GLU 63 HA GLU 63 4.807 3.869 3.156 451 HB2 GLU 63 1HB GLU 63 6.877 3.606 1.792 452 HB3 GLU 63 2HB GLU 63 6.730 5.312 1.324 453 HG2 GLU 63 1HG GLU 63 6.948 6.008 3.662 454 HG3 GLU 63 2HG GLU 63 7.065 4.328 4.180 455 H PHE 64 H PHE 64 3.796 5.301 4.413 456 HA PHE 64 HA PHE 64 3.032 7.972 3.344 457 HB2 PHE 64 1HB PHE 64 1.936 6.226 5.564 458 HB3 PHE 64 2HB PHE 64 1.505 7.914 5.377 459 HD1 PHE 64 1HD PHE 64 1.173 4.557 3.840 460 HD2 PHE 64 2HD PHE 64 0.210 8.742 3.520 461 HE1 PHE 64 1HE PHE 64 -0.585 4.023 2.158 462 HE2 PHE 64 2HE PHE 64 -1.546 8.204 1.833 463 HZ PHE 64 HZ PHE 64 -1.970 5.871 1.187 464 H LEU 65 H LEU 65 3.136 9.817 4.686 465 HA LEU 65 HA LEU 65 5.641 10.241 5.922 466 HB2 LEU 65 1HB LEU 65 3.976 11.921 4.883 467 HB3 LEU 65 2HB LEU 65 3.109 11.831 6.424 468 HG LEU 65 HG LEU 65 5.296 12.547 7.552 469 HD11 LEU 65 1HD1 LEU 65 6.003 13.259 4.668 470 HD12 LEU 65 2HD1 LEU 65 6.859 12.079 5.686 471 HD13 LEU 65 3HD1 LEU 65 6.891 13.793 6.113 472 HD21 LEU 65 1HD2 LEU 65 4.933 14.929 6.992 473 HD22 LEU 65 2HD2 LEU 65 3.394 14.081 7.200 474 HD23 LEU 65 3HD2 LEU 65 3.982 14.456 5.564 475 H SER 66 H SER 66 2.547 9.324 7.377 476 HA SER 66 HA SER 66 3.906 8.761 9.959 477 HB2 SER 66 1HB SER 66 1.233 10.190 9.827 478 HB3 SER 66 2HB SER 66 2.198 9.812 11.257 479 HG SER 66 HG SER 66 2.403 12.009 10.615 480 H GLU 67 H GLU 67 2.756 7.241 11.297 481 HA GLU 67 HA GLU 67 1.743 5.046 9.799 482 HB2 GLU 67 1HB GLU 67 2.964 4.978 11.955 483 HB3 GLU 67 2HB GLU 67 1.496 5.542 12.784 484 HG2 GLU 67 1HG GLU 67 0.302 3.505 11.856 485 HG3 GLU 67 2HG GLU 67 1.839 2.963 11.185 486 H GLU 68 H GLU 68 -0.050 7.562 11.610 487 HA GLU 68 HA GLU 68 -2.608 6.289 11.426 488 HB2 GLU 68 1HB GLU 68 -3.534 8.452 12.011 489 HB3 GLU 68 2HB GLU 68 -2.133 8.074 13.010 490 HG2 GLU 68 1HG GLU 68 -0.728 9.575 11.577 491 HG3 GLU 68 2HG GLU 68 -2.157 9.978 10.624 492 H ASP 69 H ASP 69 -0.787 8.015 8.997 493 HA ASP 69 HA ASP 69 -3.075 8.387 7.179 494 HB2 ASP 69 1HB ASP 69 -0.073 8.712 6.845 495 HB3 ASP 69 2HB ASP 69 -1.232 9.018 5.571 496 H ALA 70 H ALA 70 -0.510 5.960 7.737 497 HA ALA 70 HA ALA 70 -1.176 4.360 5.390 498 HB1 ALA 70 1HB ALA 70 0.324 3.717 7.980 499 HB2 ALA 70 2HB ALA 70 0.253 2.671 6.563 500 HB3 ALA 70 3HB ALA 70 1.042 4.252 6.449 501 H ASP 71 H ASP 71 -2.053 4.273 8.868 502 HA ASP 71 HA ASP 71 -3.652 1.959 8.839 503 HB2 ASP 71 1HB ASP 71 -2.769 3.662 10.744 504 HB3 ASP 71 2HB ASP 71 -4.432 4.215 10.644 505 H TYR 72 H TYR 72 -4.502 5.252 7.884 506 HA TYR 72 HA TYR 72 -7.344 4.678 7.482 507 HB2 TYR 72 1HB TYR 72 -6.424 6.929 8.075 508 HB3 TYR 72 2HB TYR 72 -5.648 6.993 6.491 509 HD1 TYR 72 1HD TYR 72 -8.984 6.677 8.195 510 HD2 TYR 72 2HD TYR 72 -6.878 7.710 4.584 511 HE1 TYR 72 1HE TYR 72 -11.110 7.509 7.196 512 HE2 TYR 72 2HE TYR 72 -9.008 8.544 3.576 513 HH TYR 72 HH TYR 72 -12.114 8.450 5.364 514 H ALA 73 H ALA 73 -4.421 4.689 5.382 515 HA ALA 73 HA ALA 73 -5.856 4.467 2.882 516 HB1 ALA 73 1HB ALA 73 -3.064 3.472 3.604 517 HB2 ALA 73 2HB ALA 73 -3.702 3.855 1.988 518 HB3 ALA 73 3HB ALA 73 -3.455 5.147 3.174 519 H ILE 74 H ILE 74 -4.704 2.062 5.240 520 HA ILE 74 HA ILE 74 -5.538 -0.302 3.852 521 HB ILE 74 HB ILE 74 -5.315 0.297 6.829 522 HG12 ILE 74 1HG1 ILE 74 -3.309 -1.201 5.099 523 HG13 ILE 74 2HG1 ILE 74 -3.239 0.550 5.274 524 HG21 ILE 74 1HG2 ILE 74 -5.509 -2.373 5.369 525 HG22 ILE 74 2HG2 ILE 74 -5.067 -2.213 7.076 526 HG23 ILE 74 3HG2 ILE 74 -6.670 -1.729 6.539 527 HD11 ILE 74 1HD1 ILE 74 -3.081 -1.388 7.596 528 HD12 ILE 74 2HD1 ILE 74 -1.723 -0.555 6.813 529 HD13 ILE 74 3HD1 ILE 74 -2.956 0.382 7.658 530 H LYS 75 H LYS 75 -7.345 1.965 5.910 531 HA LYS 75 HA LYS 75 -9.750 0.393 6.117 532 HB2 LYS 75 1HB LYS 75 -9.145 2.176 7.696 533 HB3 LYS 75 2HB LYS 75 -9.313 3.395 6.426 534 HG2 LYS 75 1HG LYS 75 -11.681 2.975 6.208 535 HG3 LYS 75 2HG LYS 75 -11.577 1.592 7.316 536 HD2 LYS 75 1HD LYS 75 -10.901 3.128 9.152 537 HD3 LYS 75 2HD LYS 75 -10.995 4.506 8.030 538 HE2 LYS 75 1HE LYS 75 -13.402 4.040 7.654 539 HE3 LYS 75 2HE LYS 75 -13.313 2.649 8.742 540 HZ1 LYS 75 1HZ LYS 75 -12.830 5.471 9.549 541 HZ2 LYS 75 2HZ LYS 75 -12.747 4.182 10.552 542 HZ3 LYS 75 3HZ LYS 75 -14.173 4.608 9.886 543 H ILE 76 H ILE 76 -8.752 2.921 3.758 544 HA ILE 76 HA ILE 76 -11.329 2.620 2.379 545 HB ILE 76 HB ILE 76 -10.573 4.412 0.933 546 HG12 ILE 76 1HG1 ILE 76 -8.172 4.855 2.735 547 HG13 ILE 76 2HG1 ILE 76 -8.040 3.962 1.234 548 HG21 ILE 76 1HG2 ILE 76 -11.824 4.780 3.084 549 HG22 ILE 76 2HG2 ILE 76 -10.270 5.066 3.903 550 HG23 ILE 76 3HG2 ILE 76 -10.823 6.163 2.626 551 HD11 ILE 76 1HD1 ILE 76 -7.452 6.204 0.740 552 HD12 ILE 76 2HD1 ILE 76 -9.053 5.954 0.040 553 HD13 ILE 76 3HD1 ILE 76 -8.877 6.846 1.576 554 H MET 77 H MET 77 -7.934 1.735 1.586 555 HA MET 77 HA MET 77 -8.721 1.065 -1.151 556 HB2 MET 77 1HB MET 77 -6.098 1.106 0.272 557 HB3 MET 77 2HB MET 77 -6.244 0.554 -1.386 558 HG2 MET 77 1HG MET 77 -7.317 3.259 -0.580 559 HG3 MET 77 2HG MET 77 -5.624 3.037 -0.932 560 HE1 MET 77 1HE MET 77 -5.375 4.509 -3.319 561 HE2 MET 77 2HE MET 77 -6.964 4.922 -4.001 562 HE3 MET 77 3HE MET 77 -6.686 5.110 -2.264 563 H ASP 78 H ASP 78 -9.220 -0.696 1.443 564 HA ASP 78 HA ASP 78 -8.134 -3.238 0.412 565 HB2 ASP 78 1HB ASP 78 -7.980 -2.832 2.809 566 HB3 ASP 78 2HB ASP 78 -9.740 -2.754 2.937 567 H MET 79 H MET 79 -9.158 -4.814 -0.567 568 HA MET 79 HA MET 79 -10.506 -5.788 -1.981 569 HB2 MET 79 1HB MET 79 -11.840 -6.010 0.224 570 HB3 MET 79 2HB MET 79 -12.992 -4.901 -0.527 571 HG2 MET 79 1HG MET 79 -13.273 -6.465 -2.412 572 HG3 MET 79 2HG MET 79 -12.018 -7.519 -1.762 573 HE1 MET 79 1HE MET 79 -12.588 -7.851 1.315 574 HE2 MET 79 2HE MET 79 -13.670 -9.256 1.262 575 HE3 MET 79 3HE MET 79 -12.275 -9.172 0.166 576 H ILE 80 H ILE 80 -9.923 -2.787 -2.277 577 HA ILE 80 HA ILE 80 -11.994 -1.873 -4.121 578 HB ILE 80 HB ILE 80 -9.388 -0.807 -3.111 579 HG12 ILE 80 1HG1 ILE 80 -12.268 0.124 -3.310 580 HG13 ILE 80 2HG1 ILE 80 -11.313 -0.214 -1.870 581 HG21 ILE 80 1HG2 ILE 80 -9.048 -0.509 -5.482 582 HG22 ILE 80 2HG2 ILE 80 -10.634 0.308 -5.626 583 HG23 ILE 80 3HG2 ILE 80 -9.290 1.006 -4.656 584 HD11 ILE 80 1HD1 ILE 80 -9.910 1.852 -2.483 585 HD12 ILE 80 2HD1 ILE 80 -11.114 2.185 -3.739 586 HD13 ILE 80 3HD1 ILE 80 -11.601 2.165 -2.044 587 H LYS 81 H LYS 81 -12.038 -1.877 -6.288 588 HA LYS 81 HA LYS 81 -10.505 -4.092 -7.506 589 HB2 LYS 81 1HB LYS 81 -13.089 -2.717 -8.260 590 HB3 LYS 81 2HB LYS 81 -12.321 -4.024 -9.197 591 HG2 LYS 81 1HG LYS 81 -12.381 -5.459 -7.118 592 HG3 LYS 81 2HG LYS 81 -13.343 -4.199 -6.331 593 HD2 LYS 81 1HD LYS 81 -14.964 -5.705 -7.063 594 HD3 LYS 81 2HD LYS 81 -14.976 -4.475 -8.337 595 HE2 LYS 81 1HE LYS 81 -13.338 -5.973 -9.620 596 HE3 LYS 81 2HE LYS 81 -13.584 -7.197 -8.377 597 HZ1 LYS 81 1HZ LYS 81 -15.058 -7.562 -10.270 598 HZ2 LYS 81 2HZ LYS 81 -15.734 -6.087 -10.106 599 HZ3 LYS 81 3HZ LYS 81 -15.954 -7.222 -8.950 600 H LEU 82 H LEU 82 -8.657 -2.559 -7.486 601 HA LEU 82 HA LEU 82 -8.417 -0.502 -9.464 602 HB2 LEU 82 1HB LEU 82 -6.863 -0.882 -7.527 603 HB3 LEU 82 2HB LEU 82 -6.264 -2.339 -8.313 604 HG LEU 82 HG LEU 82 -5.311 -1.009 -10.140 605 HD11 LEU 82 1HD1 LEU 82 -5.302 1.528 -9.891 606 HD12 LEU 82 2HD1 LEU 82 -6.598 1.347 -8.698 607 HD13 LEU 82 3HD1 LEU 82 -6.846 0.840 -10.385 608 HD21 LEU 82 1HD2 LEU 82 -3.993 -1.344 -8.067 609 HD22 LEU 82 2HD2 LEU 82 -4.656 0.162 -7.398 610 HD23 LEU 82 3HD2 LEU 82 -3.609 0.208 -8.829 611 H TYR 83 H TYR 83 -8.303 -0.667 -11.714 612 HA TYR 83 HA TYR 83 -8.948 -1.736 -13.627 613 HB2 TYR 83 1HB TYR 83 -6.428 -3.304 -13.056 614 HB3 TYR 83 2HB TYR 83 -7.168 -3.073 -14.632 615 HD1 TYR 83 1HD TYR 83 -7.598 -0.509 -15.321 616 HD2 TYR 83 2HD TYR 83 -4.631 -1.905 -12.521 617 HE1 TYR 83 1HE TYR 83 -6.234 1.527 -15.751 618 HE2 TYR 83 2HE TYR 83 -3.254 0.117 -12.978 619 HH TYR 83 HH TYR 83 -4.306 2.666 -15.267 620 H GLY 84 H GLY 84 -10.389 -3.030 -11.411 621 HA2 GLY 84 1HA GLY 84 -12.105 -4.569 -11.554 622 HA3 GLY 84 2HA GLY 84 -11.368 -5.303 -12.965 623 H LYS 85 H LYS 85 -9.184 -5.218 -10.286 624 HA LYS 85 HA LYS 85 -9.780 -8.000 -9.472 625 HB2 LYS 85 1HB LYS 85 -7.115 -6.661 -10.016 626 HB3 LYS 85 2HB LYS 85 -7.276 -8.137 -9.053 627 HG2 LYS 85 1HG LYS 85 -8.319 -9.322 -10.920 628 HG3 LYS 85 2HG LYS 85 -8.295 -7.852 -11.903 629 HD2 LYS 85 1HD LYS 85 -5.787 -7.843 -11.785 630 HD3 LYS 85 2HD LYS 85 -5.847 -9.307 -10.801 631 HE2 LYS 85 1HE LYS 85 -5.332 -9.984 -13.031 632 HE3 LYS 85 2HE LYS 85 -6.985 -10.502 -12.689 633 HZ1 LYS 85 1HZ LYS 85 -6.232 -8.062 -14.232 634 HZ2 LYS 85 2HZ LYS 85 -7.769 -8.565 -13.961 635 HZ3 LYS 85 3HZ LYS 85 -6.768 -9.461 -14.891 636 HA PRO 86 HA PRO 86 -10.292 -5.575 -5.721 637 HB2 PRO 86 1HB PRO 86 -11.154 -7.563 -4.031 638 HB3 PRO 86 2HB PRO 86 -12.154 -6.800 -5.301 639 HG2 PRO 86 1HG PRO 86 -10.642 -9.413 -5.443 640 HG3 PRO 86 2HG PRO 86 -12.320 -9.065 -5.969 641 HD2 PRO 86 1HD PRO 86 -10.223 -9.113 -7.715 642 HD3 PRO 86 2HD PRO 86 -11.545 -7.924 -7.928 643 H ILE 87 H ILE 87 -8.288 -4.846 -5.198 644 HA ILE 87 HA ILE 87 -6.096 -6.501 -4.402 645 HB ILE 87 HB ILE 87 -4.860 -4.535 -3.986 646 HG12 ILE 87 1HG1 ILE 87 -7.505 -3.048 -3.843 647 HG13 ILE 87 2HG1 ILE 87 -6.276 -3.230 -2.605 648 HG21 ILE 87 1HG2 ILE 87 -5.007 -3.454 -6.139 649 HG22 ILE 87 2HG2 ILE 87 -5.432 -5.154 -6.352 650 HG23 ILE 87 3HG2 ILE 87 -6.706 -3.918 -6.328 651 HD11 ILE 87 1HD1 ILE 87 -4.702 -1.897 -4.028 652 HD12 ILE 87 2HD1 ILE 87 -6.057 -1.577 -5.135 653 HD13 ILE 87 3HD1 ILE 87 -6.127 -1.004 -3.460 654 H ARG 88 H ARG 88 -5.070 -6.722 -2.388 655 HA ARG 88 HA ARG 88 -6.857 -6.378 0.010 656 HB2 ARG 88 1HB ARG 88 -4.753 -8.523 -0.461 657 HB3 ARG 88 2HB ARG 88 -5.745 -8.325 0.983 658 HG2 ARG 88 1HG ARG 88 -6.679 -9.158 -1.793 659 HG3 ARG 88 2HG ARG 88 -6.649 -10.112 -0.311 660 HD2 ARG 88 1HD ARG 88 -8.270 -8.248 0.613 661 HD3 ARG 88 2HD ARG 88 -8.551 -7.881 -1.090 662 HE ARG 88 HE ARG 88 -9.454 -10.193 0.446 663 HH11 ARG 88 1HH1 ARG 88 -8.912 -9.185 -2.919 664 HH12 ARG 88 2HH1 ARG 88 -9.877 -10.508 -3.499 665 HH21 ARG 88 1HH2 ARG 88 -10.700 -11.771 -0.432 666 HH22 ARG 88 2HH2 ARG 88 -10.904 -11.871 -2.153 667 H VAL 89 H VAL 89 -6.172 -5.145 1.607 668 HA VAL 89 HA VAL 89 -3.355 -4.153 1.503 669 HB VAL 89 HB VAL 89 -5.794 -2.420 1.994 670 HG11 VAL 89 1HG1 VAL 89 -4.229 -0.553 1.658 671 HG12 VAL 89 2HG1 VAL 89 -3.696 -1.558 3.004 672 HG13 VAL 89 3HG1 VAL 89 -2.882 -1.692 1.438 673 HG21 VAL 89 1HG2 VAL 89 -5.242 -1.451 -0.263 674 HG22 VAL 89 2HG2 VAL 89 -4.097 -2.785 -0.507 675 HG23 VAL 89 3HG2 VAL 89 -5.835 -3.108 -0.341 676 H ASN 90 H ASN 90 -2.276 -3.825 3.371 677 HA ASN 90 HA ASN 90 -3.559 -3.625 5.972 678 HB2 ASN 90 1HB ASN 90 -3.563 -6.150 5.327 679 HB3 ASN 90 2HB ASN 90 -1.818 -6.065 5.508 680 HD21 ASN 90 1HD2 ASN 90 -2.858 -7.884 7.062 681 HD22 ASN 90 2HD2 ASN 90 -3.090 -7.312 8.707 682 H LYS 91 H LYS 91 -1.690 -3.695 7.748 683 HA LYS 91 HA LYS 91 0.428 -1.817 7.081 684 HB2 LYS 91 1HB LYS 91 0.272 -3.743 9.441 685 HB3 LYS 91 2HB LYS 91 1.279 -2.309 9.344 686 HG2 LYS 91 1HG LYS 91 -1.769 -2.248 9.342 687 HG3 LYS 91 2HG LYS 91 -0.809 -2.186 10.797 688 HD2 LYS 91 1HD LYS 91 -0.221 -0.156 8.640 689 HD3 LYS 91 2HD LYS 91 -1.690 0.034 9.596 690 HE2 LYS 91 1HE LYS 91 1.049 -0.278 10.867 691 HE3 LYS 91 2HE LYS 91 0.366 1.281 10.396 692 HZ1 LYS 91 1HZ LYS 91 -0.147 0.883 12.686 693 HZ2 LYS 91 2HZ LYS 91 -0.825 -0.575 12.376 694 HZ3 LYS 91 3HZ LYS 91 -1.568 0.783 11.845 695 H ALA 92 H ALA 92 2.604 -2.188 6.528 696 HA ALA 92 HA ALA 92 3.247 -4.759 5.394 697 HB1 ALA 92 1HB ALA 92 5.392 -3.722 4.860 698 HB2 ALA 92 2HB ALA 92 4.052 -2.626 4.482 699 HB3 ALA 92 3HB ALA 92 5.029 -2.360 5.945 700 H SER 93 H SER 93 3.512 -3.653 8.633 701 HA SER 93 HA SER 93 5.057 -6.096 9.391 702 HB2 SER 93 1HB SER 93 5.154 -3.365 10.701 703 HB3 SER 93 2HB SER 93 5.833 -4.851 11.400 704 HG SER 93 HG SER 93 7.452 -3.837 10.286 705 H ALA 94 H ALA 94 2.258 -6.142 8.989 706 HA ALA 94 HA ALA 94 0.681 -5.573 11.238 707 HB1 ALA 94 1HB ALA 94 -0.962 -7.077 10.161 708 HB2 ALA 94 2HB ALA 94 -0.196 -6.009 8.980 709 HB3 ALA 94 3HB ALA 94 0.308 -7.711 9.093 710 H HIS 95 H HIS 95 2.783 -8.373 10.834 711 HA HIS 95 HA HIS 95 1.435 -9.956 12.919 712 HB2 HIS 95 1HB HIS 95 3.985 -10.444 11.350 713 HB3 HIS 95 2HB HIS 95 3.298 -11.553 12.536 714 HD2 HIS 95 2HD HIS 95 2.876 -10.408 8.934 715 HE1 HIS 95 1HE HIS 95 -0.248 -13.233 9.621 716 HE2 HIS 95 2HE HIS 95 0.962 -11.862 7.846 717 H ASN 96 H ASN 96 1.948 -10.083 15.024 718 HA ASN 96 HA ASN 96 3.871 -8.185 16.134 719 HB2 ASN 96 1HB ASN 96 1.562 -8.588 17.061 720 HB3 ASN 96 2HB ASN 96 2.082 -10.201 17.555 721 HD21 ASN 96 1HD2 ASN 96 2.509 -10.204 19.755 722 HD22 ASN 96 2HD2 ASN 96 3.244 -8.845 20.605 723 H LYS 97 H LYS 97 5.493 -8.734 17.725 724 HA LYS 97 HA LYS 97 7.313 -10.775 16.883 725 HB2 LYS 97 1HB LYS 97 7.846 -8.553 17.926 726 HB3 LYS 97 2HB LYS 97 7.299 -9.183 19.485 727 HG2 LYS 97 1HG LYS 97 9.081 -10.891 19.435 728 HG3 LYS 97 2HG LYS 97 9.567 -10.360 17.811 729 HD2 LYS 97 1HD LYS 97 10.099 -8.105 18.736 730 HD3 LYS 97 2HD LYS 97 9.689 -8.672 20.359 731 HE2 LYS 97 1HE LYS 97 11.877 -9.847 18.576 732 HE3 LYS 97 2HE LYS 97 12.150 -8.637 19.829 733 HZ1 LYS 97 1HZ LYS 97 12.610 -10.845 20.675 734 HZ2 LYS 97 2HZ LYS 97 11.111 -11.376 20.318 735 HZ3 LYS 97 3HZ LYS 97 11.326 -10.238 21.475 736 H ASN 98 H ASN 98 4.785 -10.885 19.299 737 HA ASN 98 HA ASN 98 5.360 -13.761 19.760 738 HB2 ASN 98 1HB ASN 98 6.342 -12.407 21.647 739 HB3 ASN 98 2HB ASN 98 4.730 -11.779 21.994 740 HD21 ASN 98 1HD2 ASN 98 6.764 -14.710 21.999 741 HD22 ASN 98 2HD2 ASN 98 5.693 -15.616 23.057 742 H LEU 99 H LEU 99 3.540 -15.042 20.250 743 HA LEU 99 HA LEU 99 1.046 -13.953 19.119 744 HB2 LEU 99 1HB LEU 99 2.223 -15.929 18.181 745 HB3 LEU 99 2HB LEU 99 1.963 -16.793 19.695 746 HG LEU 99 HG LEU 99 -0.481 -16.772 19.310 747 HD11 LEU 99 1HD1 LEU 99 -0.762 -14.698 18.014 748 HD12 LEU 99 2HD1 LEU 99 -1.368 -16.071 17.087 749 HD13 LEU 99 3HD1 LEU 99 0.216 -15.368 16.688 750 HD21 LEU 99 1HD2 LEU 99 0.895 -18.617 18.435 751 HD22 LEU 99 2HD2 LEU 99 1.103 -17.745 16.901 752 HD23 LEU 99 3HD2 LEU 99 -0.509 -18.305 17.403 753 H SER 100 H SER 100 2.173 -14.823 22.306 754 HA SER 100 HA SER 100 -0.315 -15.877 23.310 755 HB2 SER 100 1HB SER 100 2.109 -14.833 24.810 756 HB3 SER 100 2HB SER 100 0.767 -15.752 25.512 757 HG SER 100 HG SER 100 2.549 -17.100 24.953 758 H GLY 101 H GLY 101 -1.908 -15.007 24.529 759 HA2 GLY 101 1HA GLY 101 -2.343 -12.115 24.519 760 HA3 GLY 101 2HA GLY 101 -3.426 -13.351 25.153 761 HA PRO 102 HA PRO 102 -1.142 -11.128 28.668 762 HB2 PRO 102 1HB PRO 102 -3.026 -9.387 29.576 763 HB3 PRO 102 2HB PRO 102 -1.981 -9.018 28.170 764 HG2 PRO 102 1HG PRO 102 -4.810 -10.134 28.138 765 HG3 PRO 102 2HG PRO 102 -4.169 -8.729 27.227 766 HD2 PRO 102 1HD PRO 102 -4.342 -11.215 26.114 767 HD3 PRO 102 2HD PRO 102 -2.981 -10.115 25.736 768 H SER 103 H SER 103 -4.190 -12.782 28.326 769 HA SER 103 HA SER 103 -3.978 -14.004 31.004 770 HB2 SER 103 1HB SER 103 -6.249 -13.465 31.632 771 HB3 SER 103 2HB SER 103 -5.392 -11.956 31.287 772 HG SER 103 HG SER 103 -7.437 -11.954 30.295 773 H SER 104 H SER 104 -5.886 -15.657 31.238 774 HA SER 104 HA SER 104 -5.829 -17.490 28.983 775 HB2 SER 104 1HB SER 104 -7.190 -18.918 30.505 776 HB3 SER 104 2HB SER 104 -5.666 -18.359 31.210 777 HG SER 104 HG SER 104 -7.451 -18.135 32.660 778 H GLY 105 H GLY 105 -7.802 -14.823 29.555 779 HA2 GLY 105 1HA GLY 105 -9.654 -14.008 28.434 780 HA3 GLY 105 2HA GLY 105 -9.659 -15.450 27.423 Start of MODEL 18 1 H1 GLY 1 1H GLY 1 26.032 -17.524 -1.077 2 H2 GLY 1 2H GLY 1 26.743 -16.664 -2.277 3 H3 GLY 1 3H GLY 1 26.143 -18.158 -2.585 4 HA2 GLY 1 1HA GLY 1 24.665 -16.479 -3.470 5 HA3 GLY 1 2HA GLY 1 23.894 -17.426 -2.185 6 H SER 2 H SER 2 23.425 -14.623 -3.169 7 HA SER 2 HA SER 2 24.332 -12.747 -1.203 8 HB2 SER 2 1HB SER 2 21.947 -12.572 -3.079 9 HB3 SER 2 2HB SER 2 22.720 -11.220 -2.226 10 HG SER 2 HG SER 2 23.485 -11.429 -4.384 11 H SER 3 H SER 3 23.213 -11.643 0.429 12 HA SER 3 HA SER 3 21.324 -13.279 1.965 13 HB2 SER 3 1HB SER 3 21.855 -11.667 3.770 14 HB3 SER 3 2HB SER 3 23.283 -12.443 3.069 15 HG SER 3 HG SER 3 23.556 -10.167 3.324 16 H GLY 4 H GLY 4 20.777 -10.975 -0.356 17 HA2 GLY 4 1HA GLY 4 18.786 -9.279 0.832 18 HA3 GLY 4 2HA GLY 4 19.054 -9.534 -0.887 19 H SER 5 H SER 5 16.566 -9.098 -0.189 20 HA SER 5 HA SER 5 15.120 -11.663 -0.563 21 HB2 SER 5 1HB SER 5 15.145 -11.289 1.861 22 HB3 SER 5 2HB SER 5 14.510 -9.648 1.636 23 HG SER 5 HG SER 5 12.926 -11.330 2.163 24 H SER 6 H SER 6 13.044 -11.449 -1.451 25 HA SER 6 HA SER 6 12.492 -9.036 -3.047 26 HB2 SER 6 1HB SER 6 10.878 -11.595 -2.786 27 HB3 SER 6 2HB SER 6 10.684 -10.337 -4.018 28 HG SER 6 HG SER 6 12.813 -10.831 -4.753 29 H GLY 7 H GLY 7 11.817 -9.871 0.141 30 HA2 GLY 7 1HA GLY 7 9.191 -8.586 0.413 31 HA3 GLY 7 2HA GLY 7 10.285 -9.079 1.703 32 HA PRO 8 HA PRO 8 10.480 -4.393 1.240 33 HB2 PRO 8 1HB PRO 8 9.431 -3.642 3.640 34 HB3 PRO 8 2HB PRO 8 8.414 -4.012 2.213 35 HG2 PRO 8 1HG PRO 8 9.096 -5.845 4.534 36 HG3 PRO 8 2HG PRO 8 7.489 -5.528 3.807 37 HD2 PRO 8 1HD PRO 8 9.026 -7.701 3.140 38 HD3 PRO 8 2HD PRO 8 7.962 -6.896 1.953 39 H ILE 9 H ILE 9 12.209 -3.225 2.039 40 HA ILE 9 HA ILE 9 14.204 -4.741 3.522 41 HB ILE 9 HB ILE 9 14.747 -3.473 1.485 42 HG12 ILE 9 1HG1 ILE 9 16.829 -2.417 2.188 43 HG13 ILE 9 2HG1 ILE 9 16.327 -2.437 3.872 44 HG21 ILE 9 1HG2 ILE 9 14.982 -1.044 1.492 45 HG22 ILE 9 2HG2 ILE 9 13.307 -1.486 1.827 46 HG23 ILE 9 3HG2 ILE 9 14.365 -0.951 3.150 47 HD11 ILE 9 1HD1 ILE 9 16.392 -4.909 3.883 48 HD12 ILE 9 2HD1 ILE 9 16.744 -4.916 2.137 49 HD13 ILE 9 3HD1 ILE 9 17.923 -4.256 3.288 50 H SER 10 H SER 10 15.217 -4.205 5.473 51 HA SER 10 HA SER 10 13.579 -3.177 7.534 52 HB2 SER 10 1HB SER 10 16.594 -3.562 7.567 53 HB3 SER 10 2HB SER 10 15.507 -3.523 8.969 54 HG SER 10 HG SER 10 16.008 -5.672 8.334 55 H GLU 11 H GLU 11 15.529 -1.370 5.357 56 HA GLU 11 HA GLU 11 16.028 0.918 7.120 57 HB2 GLU 11 1HB GLU 11 16.281 0.583 4.103 58 HB3 GLU 11 2HB GLU 11 16.804 1.998 5.025 59 HG2 GLU 11 1HG GLU 11 18.335 0.526 6.362 60 HG3 GLU 11 2HG GLU 11 17.905 -0.829 5.316 61 H ARG 12 H ARG 12 13.255 -0.168 5.458 62 HA ARG 12 HA ARG 12 12.051 2.541 5.127 63 HB2 ARG 12 1HB ARG 12 11.134 -0.266 4.355 64 HB3 ARG 12 2HB ARG 12 10.134 1.168 4.141 65 HG2 ARG 12 1HG ARG 12 12.922 0.960 2.924 66 HG3 ARG 12 2HG ARG 12 11.477 0.368 2.093 67 HD2 ARG 12 1HD ARG 12 10.516 2.500 1.941 68 HD3 ARG 12 2HD ARG 12 11.580 3.191 3.173 69 HE ARG 12 HE ARG 12 13.076 2.264 0.873 70 HH11 ARG 12 1HH1 ARG 12 11.085 4.948 1.930 71 HH12 ARG 12 2HH1 ARG 12 12.108 6.137 1.146 72 HH21 ARG 12 1HH2 ARG 12 14.238 3.815 -0.244 73 HH22 ARG 12 2HH2 ARG 12 13.782 5.488 -0.138 74 H ASN 13 H ASN 13 10.013 3.089 6.067 75 HA ASN 13 HA ASN 13 9.754 2.056 8.836 76 HB2 ASN 13 1HB ASN 13 9.703 4.485 8.411 77 HB3 ASN 13 2HB ASN 13 8.254 4.290 7.419 78 HD21 ASN 13 1HD2 ASN 13 8.106 6.001 9.547 79 HD22 ASN 13 2HD2 ASN 13 7.162 5.262 10.835 80 H GLN 14 H GLN 14 9.142 -0.092 8.327 81 HA GLN 14 HA GLN 14 7.063 -0.752 6.533 82 HB2 GLN 14 1HB GLN 14 8.207 -2.385 8.827 83 HB3 GLN 14 2HB GLN 14 7.174 -3.007 7.528 84 HG2 GLN 14 1HG GLN 14 8.874 -2.230 5.845 85 HG3 GLN 14 2HG GLN 14 9.936 -1.764 7.173 86 HE21 GLN 14 1HE2 GLN 14 11.357 -3.316 5.852 87 HE22 GLN 14 2HE2 GLN 14 11.228 -5.021 6.269 88 H ASP 15 H ASP 15 6.680 0.435 9.783 89 HA ASP 15 HA ASP 15 3.941 -0.640 9.973 90 HB2 ASP 15 1HB ASP 15 5.735 -0.122 11.918 91 HB3 ASP 15 2HB ASP 15 4.886 1.430 11.904 92 H ALA 16 H ALA 16 5.500 2.307 8.895 93 HA ALA 16 HA ALA 16 2.866 3.604 8.408 94 HB1 ALA 16 1HB ALA 16 4.699 4.957 9.426 95 HB2 ALA 16 2HB ALA 16 5.653 4.707 7.940 96 HB3 ALA 16 3HB ALA 16 4.118 5.591 7.876 97 H THR 17 H THR 17 4.651 1.297 6.920 98 HA THR 17 HA THR 17 3.889 2.149 4.169 99 HB THR 17 HB THR 17 5.686 -0.148 4.979 100 HG1 THR 17 1HG THR 17 6.624 1.843 5.417 101 HG21 THR 17 1HG2 THR 17 5.266 1.143 2.246 102 HG22 THR 17 2HG2 THR 17 4.678 -0.465 2.727 103 HG23 THR 17 3HG2 THR 17 6.416 -0.142 2.625 104 H VAL 18 H VAL 18 2.322 1.112 3.078 105 HA VAL 18 HA VAL 18 0.950 -1.184 4.420 106 HB VAL 18 HB VAL 18 -1.001 -0.753 3.127 107 HG11 VAL 18 1HG1 VAL 18 -1.689 1.370 4.078 108 HG12 VAL 18 2HG1 VAL 18 -0.641 0.530 5.241 109 HG13 VAL 18 3HG1 VAL 18 -0.011 1.887 4.284 110 HG21 VAL 18 1HG2 VAL 18 0.432 1.611 1.894 111 HG22 VAL 18 2HG2 VAL 18 -0.035 0.131 1.021 112 HG23 VAL 18 3HG2 VAL 18 -1.279 1.202 1.677 113 H TYR 19 H TYR 19 0.470 -3.012 3.288 114 HA TYR 19 HA TYR 19 2.055 -3.638 0.832 115 HB2 TYR 19 1HB TYR 19 2.475 -5.240 2.548 116 HB3 TYR 19 2HB TYR 19 0.791 -5.285 3.043 117 HD1 TYR 19 1HD TYR 19 3.194 -6.453 0.457 118 HD2 TYR 19 2HD TYR 19 -0.869 -6.626 1.897 119 HE1 TYR 19 1HE TYR 19 2.775 -8.446 -0.966 120 HE2 TYR 19 2HE TYR 19 -1.300 -8.595 0.429 121 HH TYR 19 HH TYR 19 1.255 -10.024 -1.639 122 H VAL 20 H VAL 20 0.992 -4.151 -1.019 123 HA VAL 20 HA VAL 20 -1.991 -4.298 -1.047 124 HB VAL 20 HB VAL 20 -0.332 -2.945 -3.208 125 HG11 VAL 20 1HG1 VAL 20 -2.470 -3.967 -3.946 126 HG12 VAL 20 2HG1 VAL 20 -3.335 -3.090 -2.677 127 HG13 VAL 20 3HG1 VAL 20 -2.558 -2.198 -3.998 128 HG21 VAL 20 1HG2 VAL 20 -1.995 -1.620 -1.028 129 HG22 VAL 20 2HG2 VAL 20 -0.236 -1.496 -1.236 130 HG23 VAL 20 3HG2 VAL 20 -1.305 -0.812 -2.456 131 H GLY 21 H GLY 21 -2.514 -6.297 -1.674 132 HA2 GLY 21 1HA GLY 21 -0.747 -7.800 -3.592 133 HA3 GLY 21 2HA GLY 21 -1.739 -8.540 -2.344 134 H GLY 22 H GLY 22 -1.630 -8.739 -5.384 135 HA2 GLY 22 1HA GLY 22 -3.364 -9.763 -6.659 136 HA3 GLY 22 2HA GLY 22 -4.594 -8.886 -5.748 137 H LEU 23 H LEU 23 -1.674 -7.546 -7.319 138 HA LEU 23 HA LEU 23 -3.179 -5.318 -8.419 139 HB2 LEU 23 1HB LEU 23 -0.267 -6.170 -8.716 140 HB3 LEU 23 2HB LEU 23 -0.931 -4.635 -9.259 141 HG LEU 23 HG LEU 23 -0.712 -5.573 -6.364 142 HD11 LEU 23 1HD1 LEU 23 0.717 -3.374 -7.905 143 HD12 LEU 23 2HD1 LEU 23 1.412 -4.939 -7.442 144 HD13 LEU 23 3HD1 LEU 23 0.931 -3.776 -6.190 145 HD21 LEU 23 1HD2 LEU 23 -2.641 -4.198 -6.416 146 HD22 LEU 23 2HD2 LEU 23 -1.931 -3.069 -7.581 147 HD23 LEU 23 3HD2 LEU 23 -1.326 -3.125 -5.917 148 H ASP 24 H ASP 24 -3.306 -4.730 -10.602 149 HA ASP 24 HA ASP 24 -3.389 -6.999 -12.482 150 HB2 ASP 24 1HB ASP 24 -5.392 -5.569 -12.256 151 HB3 ASP 24 2HB ASP 24 -4.446 -4.149 -12.701 152 H GLU 25 H GLU 25 -2.472 -6.738 -14.700 153 HA GLU 25 HA GLU 25 0.253 -5.951 -14.675 154 HB2 GLU 25 1HB GLU 25 0.269 -6.492 -17.012 155 HB3 GLU 25 2HB GLU 25 -0.685 -7.683 -16.133 156 HG2 GLU 25 1HG GLU 25 -2.780 -6.538 -16.894 157 HG3 GLU 25 2HG GLU 25 -1.804 -5.378 -17.795 158 H LYS 26 H LYS 26 -2.560 -3.958 -15.337 159 HA LYS 26 HA LYS 26 -1.133 -1.801 -16.676 160 HB2 LYS 26 1HB LYS 26 -3.841 -2.039 -15.370 161 HB3 LYS 26 2HB LYS 26 -3.253 -0.546 -16.117 162 HG2 LYS 26 1HG LYS 26 -3.015 -1.608 -18.284 163 HG3 LYS 26 2HG LYS 26 -3.332 -3.206 -17.610 164 HD2 LYS 26 1HD LYS 26 -5.303 -2.386 -18.758 165 HD3 LYS 26 2HD LYS 26 -5.587 -2.619 -17.033 166 HE2 LYS 26 1HE LYS 26 -6.705 -0.602 -17.679 167 HE3 LYS 26 2HE LYS 26 -5.337 -0.175 -16.651 168 HZ1 LYS 26 1HZ LYS 26 -5.362 -0.008 -19.626 169 HZ2 LYS 26 2HZ LYS 26 -4.099 0.420 -18.680 170 HZ3 LYS 26 3HZ LYS 26 -5.492 1.265 -18.616 171 H VAL 27 H VAL 27 -1.211 -2.747 -13.362 172 HA VAL 27 HA VAL 27 -1.090 -0.104 -12.167 173 HB VAL 27 HB VAL 27 -0.416 -2.834 -11.010 174 HG11 VAL 27 1HG1 VAL 27 0.701 -1.133 -9.661 175 HG12 VAL 27 2HG1 VAL 27 -0.786 -0.167 -9.587 176 HG13 VAL 27 3HG1 VAL 27 -0.699 -1.753 -8.815 177 HG21 VAL 27 1HG2 VAL 27 -2.910 -1.080 -10.787 178 HG22 VAL 27 2HG2 VAL 27 -2.794 -2.625 -11.649 179 HG23 VAL 27 3HG2 VAL 27 -2.637 -2.585 -9.892 180 H SER 28 H SER 28 0.609 1.106 -11.473 181 HA SER 28 HA SER 28 3.390 0.079 -11.747 182 HB2 SER 28 1HB SER 28 4.096 2.126 -12.826 183 HB3 SER 28 2HB SER 28 2.802 1.387 -13.778 184 HG SER 28 HG SER 28 2.400 3.600 -13.544 185 H GLU 29 H GLU 29 4.994 1.389 -10.506 186 HA GLU 29 HA GLU 29 4.101 1.942 -7.868 187 HB2 GLU 29 1HB GLU 29 6.642 2.393 -9.436 188 HB3 GLU 29 2HB GLU 29 6.488 3.261 -7.925 189 HG2 GLU 29 1HG GLU 29 6.639 1.414 -6.618 190 HG3 GLU 29 2HG GLU 29 5.766 0.398 -7.738 191 HA PRO 30 HA PRO 30 4.009 6.662 -8.945 192 HB2 PRO 30 1HB PRO 30 3.241 6.416 -11.857 193 HB3 PRO 30 2HB PRO 30 4.100 7.751 -11.025 194 HG2 PRO 30 1HG PRO 30 5.506 5.972 -12.485 195 HG3 PRO 30 2HG PRO 30 6.110 6.440 -10.859 196 HD2 PRO 30 1HD PRO 30 4.523 3.980 -11.635 197 HD3 PRO 30 2HD PRO 30 6.001 4.097 -10.640 198 H LEU 31 H LEU 31 1.873 4.187 -10.437 199 HA LEU 31 HA LEU 31 -0.568 5.735 -10.075 200 HB2 LEU 31 1HB LEU 31 -0.399 3.835 -11.696 201 HB3 LEU 31 2HB LEU 31 -0.156 2.731 -10.347 202 HG LEU 31 HG LEU 31 -2.443 3.463 -9.429 203 HD11 LEU 31 1HD1 LEU 31 -2.634 4.600 -12.245 204 HD12 LEU 31 2HD1 LEU 31 -2.694 5.538 -10.729 205 HD13 LEU 31 3HD1 LEU 31 -3.991 4.395 -11.111 206 HD21 LEU 31 1HD2 LEU 31 -2.112 1.331 -10.499 207 HD22 LEU 31 2HD2 LEU 31 -2.188 2.078 -12.119 208 HD23 LEU 31 3HD2 LEU 31 -3.630 2.025 -11.081 209 H LEU 32 H LEU 32 1.028 3.062 -8.272 210 HA LEU 32 HA LEU 32 -0.806 3.072 -6.083 211 HB2 LEU 32 1HB LEU 32 2.172 2.361 -6.065 212 HB3 LEU 32 2HB LEU 32 0.996 1.955 -4.818 213 HG LEU 32 HG LEU 32 1.183 0.836 -7.611 214 HD11 LEU 32 1HD1 LEU 32 2.604 -0.098 -5.788 215 HD12 LEU 32 2HD1 LEU 32 1.405 -1.266 -6.386 216 HD13 LEU 32 3HD1 LEU 32 1.132 -0.429 -4.837 217 HD21 LEU 32 1HD2 LEU 32 -0.819 -0.567 -6.894 218 HD22 LEU 32 2HD2 LEU 32 -1.176 1.132 -7.267 219 HD23 LEU 32 3HD2 LEU 32 -1.061 0.585 -5.571 220 H TRP 33 H TRP 33 1.828 5.241 -6.767 221 HA TRP 33 HA TRP 33 1.799 6.493 -4.141 222 HB2 TRP 33 1HB TRP 33 3.645 6.527 -5.891 223 HB3 TRP 33 2HB TRP 33 2.720 7.714 -6.773 224 HD1 TRP 33 HD TRP 33 1.918 9.638 -4.307 225 HE1 TRP 33 1HE TRP 33 3.758 11.036 -3.165 226 HE3 TRP 33 3HE TRP 33 5.967 6.913 -5.741 227 HZ2 TRP 33 2HZ TRP 33 6.650 11.025 -3.003 228 HZ3 TRP 33 3HZ TRP 33 8.284 7.640 -5.126 229 HH2 TRP 33 HH TRP 33 8.624 9.694 -3.765 230 H GLU 34 H GLU 34 0.691 7.802 -7.285 231 HA GLU 34 HA GLU 34 -0.718 9.970 -6.100 232 HB2 GLU 34 1HB GLU 34 -0.999 8.721 -8.870 233 HB3 GLU 34 2HB GLU 34 -1.722 10.259 -8.372 234 HG2 GLU 34 1HG GLU 34 0.583 11.042 -7.714 235 HG3 GLU 34 2HG GLU 34 1.253 9.618 -8.499 236 H LEU 35 H LEU 35 -1.941 6.752 -6.871 237 HA LEU 35 HA LEU 35 -4.739 7.398 -6.517 238 HB2 LEU 35 1HB LEU 35 -3.609 5.303 -7.638 239 HB3 LEU 35 2HB LEU 35 -3.475 4.700 -5.985 240 HG LEU 35 HG LEU 35 -6.030 5.126 -5.851 241 HD11 LEU 35 1HD1 LEU 35 -5.690 5.047 -8.871 242 HD12 LEU 35 2HD1 LEU 35 -6.264 6.439 -7.925 243 HD13 LEU 35 3HD1 LEU 35 -7.228 4.958 -7.986 244 HD21 LEU 35 1HD2 LEU 35 -5.006 2.905 -5.870 245 HD22 LEU 35 2HD2 LEU 35 -4.913 2.947 -7.648 246 HD23 LEU 35 3HD2 LEU 35 -6.494 2.921 -6.824 247 H PHE 36 H PHE 36 -2.136 6.561 -4.260 248 HA PHE 36 HA PHE 36 -3.998 6.092 -2.013 249 HB2 PHE 36 1HB PHE 36 -1.068 5.669 -2.508 250 HB3 PHE 36 2HB PHE 36 -1.667 5.683 -0.897 251 HD1 PHE 36 1HD PHE 36 -2.378 3.983 -4.192 252 HD2 PHE 36 2HD PHE 36 -2.438 3.701 0.097 253 HE1 PHE 36 1HE PHE 36 -3.082 1.612 -4.363 254 HE2 PHE 36 2HE PHE 36 -3.179 1.336 -0.068 255 HZ PHE 36 HZ PHE 36 -3.524 0.296 -2.298 256 H LEU 37 H LEU 37 -2.264 8.787 -3.272 257 HA LEU 37 HA LEU 37 -1.925 10.400 -0.982 258 HB2 LEU 37 1HB LEU 37 -2.793 11.043 -3.823 259 HB3 LEU 37 2HB LEU 37 -2.472 12.289 -2.625 260 HG LEU 37 HG LEU 37 -0.419 10.305 -3.641 261 HD11 LEU 37 1HD1 LEU 37 -1.103 12.075 -5.265 262 HD12 LEU 37 2HD1 LEU 37 0.579 12.246 -4.725 263 HD13 LEU 37 3HD1 LEU 37 -0.683 13.306 -4.060 264 HD21 LEU 37 1HD2 LEU 37 0.074 10.917 -1.334 265 HD22 LEU 37 2HD2 LEU 37 -0.173 12.636 -1.697 266 HD23 LEU 37 3HD2 LEU 37 1.199 11.751 -2.414 267 H GLN 38 H GLN 38 -4.871 9.238 -2.261 268 HA GLN 38 HA GLN 38 -6.773 11.114 -1.205 269 HB2 GLN 38 1HB GLN 38 -7.052 8.096 -1.579 270 HB3 GLN 38 2HB GLN 38 -8.373 9.266 -1.423 271 HG2 GLN 38 1HG GLN 38 -7.645 10.359 -3.537 272 HG3 GLN 38 2HG GLN 38 -6.325 9.189 -3.658 273 HE21 GLN 38 1HE2 GLN 38 -7.685 9.121 -5.872 274 HE22 GLN 38 2HE2 GLN 38 -8.873 7.826 -5.905 275 H ALA 39 H ALA 39 -5.037 8.385 0.266 276 HA ALA 39 HA ALA 39 -6.604 8.438 2.750 277 HB1 ALA 39 1HB ALA 39 -4.024 7.013 1.981 278 HB2 ALA 39 2HB ALA 39 -4.948 6.735 3.465 279 HB3 ALA 39 3HB ALA 39 -5.658 6.338 1.885 280 H GLY 40 H GLY 40 -3.295 9.399 1.778 281 HA2 GLY 40 1HA GLY 40 -3.175 11.718 3.434 282 HA3 GLY 40 2HA GLY 40 -2.381 10.374 4.261 283 HA PRO 41 HA PRO 41 0.605 12.522 1.334 284 HB2 PRO 41 1HB PRO 41 2.616 13.039 3.136 285 HB3 PRO 41 2HB PRO 41 1.213 14.116 2.864 286 HG2 PRO 41 1HG PRO 41 1.532 11.999 5.012 287 HG3 PRO 41 2HG PRO 41 1.037 13.706 5.219 288 HD2 PRO 41 1HD PRO 41 -0.767 11.682 5.074 289 HD3 PRO 41 2HD PRO 41 -1.123 13.234 4.262 290 H VAL 42 H VAL 42 1.308 10.937 0.100 291 HA VAL 42 HA VAL 42 2.756 8.577 1.122 292 HB VAL 42 HB VAL 42 2.048 9.382 -1.716 293 HG11 VAL 42 1HG1 VAL 42 2.642 6.997 -2.232 294 HG12 VAL 42 2HG1 VAL 42 4.033 7.957 -1.759 295 HG13 VAL 42 3HG1 VAL 42 3.299 6.835 -0.594 296 HG21 VAL 42 1HG2 VAL 42 0.835 7.261 0.098 297 HG22 VAL 42 2HG2 VAL 42 0.048 8.778 -0.385 298 HG23 VAL 42 3HG2 VAL 42 0.409 7.556 -1.602 299 H VAL 43 H VAL 43 4.844 8.300 1.070 300 HA VAL 43 HA VAL 43 6.624 10.583 0.348 301 HB VAL 43 HB VAL 43 7.256 8.241 2.178 302 HG11 VAL 43 1HG1 VAL 43 8.801 9.860 3.233 303 HG12 VAL 43 2HG1 VAL 43 9.181 9.632 1.519 304 HG13 VAL 43 3HG1 VAL 43 8.319 11.096 2.057 305 HG21 VAL 43 1HG2 VAL 43 6.647 9.666 4.096 306 HG22 VAL 43 2HG2 VAL 43 5.956 10.875 2.984 307 HG23 VAL 43 3HG2 VAL 43 5.249 9.247 3.114 308 H ASN 44 H ASN 44 6.150 7.120 -0.134 309 HA ASN 44 HA ASN 44 7.986 6.957 -2.402 310 HB2 ASN 44 1HB ASN 44 9.667 6.823 -0.745 311 HB3 ASN 44 2HB ASN 44 8.645 5.945 0.369 312 HD21 ASN 44 1HD2 ASN 44 9.265 3.920 0.672 313 HD22 ASN 44 2HD2 ASN 44 9.956 2.873 -0.579 314 H THR 45 H THR 45 7.861 4.863 -3.489 315 HA THR 45 HA THR 45 5.835 2.915 -2.543 316 HB THR 45 HB THR 45 5.246 2.547 -5.025 317 HG1 THR 45 1HG THR 45 5.233 4.499 -6.201 318 HG21 THR 45 1HG2 THR 45 4.190 5.084 -3.761 319 HG22 THR 45 2HG2 THR 45 3.693 3.428 -3.325 320 HG23 THR 45 3HG2 THR 45 3.411 4.008 -4.961 321 H HIS 46 H HIS 46 6.101 0.773 -3.290 322 HA HIS 46 HA HIS 46 8.652 0.110 -4.693 323 HB2 HIS 46 1HB HIS 46 8.977 0.093 -2.146 324 HB3 HIS 46 2HB HIS 46 7.765 -1.159 -2.079 325 HD2 HIS 46 2HD HIS 46 9.602 -2.788 -0.984 326 HE1 HIS 46 1HE HIS 46 11.836 -3.468 -4.552 327 HE2 HIS 46 2HE HIS 46 11.466 -4.238 -2.152 328 H MET 47 H MET 47 8.288 -1.413 -6.237 329 HA MET 47 HA MET 47 6.260 -3.561 -5.716 330 HB2 MET 47 1HB MET 47 6.503 -1.933 -8.257 331 HB3 MET 47 2HB MET 47 5.779 -3.541 -8.204 332 HG2 MET 47 1HG MET 47 4.073 -2.855 -6.689 333 HG3 MET 47 2HG MET 47 4.837 -1.292 -6.404 334 HE1 MET 47 1HE MET 47 2.530 -2.503 -10.208 335 HE2 MET 47 2HE MET 47 4.216 -3.012 -9.994 336 HE3 MET 47 3HE MET 47 2.971 -3.572 -8.850 337 HA PRO 48 HA PRO 48 10.314 -5.459 -6.453 338 HB2 PRO 48 1HB PRO 48 8.731 -7.857 -5.519 339 HB3 PRO 48 2HB PRO 48 10.411 -7.386 -5.108 340 HG2 PRO 48 1HG PRO 48 8.419 -6.866 -3.366 341 HG3 PRO 48 2HG PRO 48 9.631 -5.598 -3.711 342 HD2 PRO 48 1HD PRO 48 6.845 -5.904 -4.873 343 HD3 PRO 48 2HD PRO 48 7.640 -4.440 -4.209 344 H LYS 49 H LYS 49 11.054 -6.164 -8.357 345 HA LYS 49 HA LYS 49 9.142 -7.103 -10.406 346 HB2 LYS 49 1HB LYS 49 12.043 -6.277 -10.753 347 HB3 LYS 49 2HB LYS 49 10.855 -6.531 -12.022 348 HG2 LYS 49 1HG LYS 49 10.900 -4.293 -9.971 349 HG3 LYS 49 2HG LYS 49 11.209 -4.172 -11.703 350 HD2 LYS 49 1HD LYS 49 8.824 -4.883 -12.131 351 HD3 LYS 49 2HD LYS 49 8.528 -4.813 -10.393 352 HE2 LYS 49 1HE LYS 49 9.317 -2.498 -12.218 353 HE3 LYS 49 2HE LYS 49 7.745 -2.776 -11.467 354 HZ1 LYS 49 1HZ LYS 49 8.990 -2.617 -9.275 355 HZ2 LYS 49 2HZ LYS 49 8.806 -1.209 -10.080 356 HZ3 LYS 49 3HZ LYS 49 10.250 -1.989 -10.109 357 H ASP 50 H ASP 50 9.416 -8.803 -11.753 358 HA ASP 50 HA ASP 50 10.524 -11.265 -10.761 359 HB2 ASP 50 1HB ASP 50 8.570 -11.187 -12.228 360 HB3 ASP 50 2HB ASP 50 9.500 -10.384 -13.488 361 H ARG 51 H ARG 51 12.417 -12.309 -11.212 362 HA ARG 51 HA ARG 51 14.628 -10.666 -12.122 363 HB2 ARG 51 1HB ARG 51 16.056 -12.329 -11.207 364 HB3 ARG 51 2HB ARG 51 14.734 -12.011 -10.089 365 HG2 ARG 51 1HG ARG 51 13.575 -14.083 -10.884 366 HG3 ARG 51 2HG ARG 51 14.939 -14.427 -11.957 367 HD2 ARG 51 1HD ARG 51 15.128 -14.152 -8.931 368 HD3 ARG 51 2HD ARG 51 14.972 -15.682 -9.808 369 HE ARG 51 HE ARG 51 17.186 -14.376 -10.937 370 HH11 ARG 51 1HH1 ARG 51 16.408 -15.718 -7.796 371 HH12 ARG 51 2HH1 ARG 51 18.079 -16.044 -7.418 372 HH21 ARG 51 1HH2 ARG 51 19.666 -15.544 -8.858 373 HH22 ARG 51 2HH2 ARG 51 19.297 -14.810 -10.390 374 H VAL 52 H VAL 52 12.652 -12.054 -14.179 375 HA VAL 52 HA VAL 52 14.807 -12.899 -16.093 376 HB VAL 52 HB VAL 52 12.118 -14.295 -15.764 377 HG11 VAL 52 1HG1 VAL 52 13.112 -15.984 -17.285 378 HG12 VAL 52 2HG1 VAL 52 12.965 -14.414 -18.067 379 HG13 VAL 52 3HG1 VAL 52 14.552 -14.960 -17.476 380 HG21 VAL 52 1HG2 VAL 52 13.461 -16.252 -14.982 381 HG22 VAL 52 2HG2 VAL 52 14.898 -15.207 -14.904 382 HG23 VAL 52 3HG2 VAL 52 13.494 -14.906 -13.851 383 H THR 53 H THR 53 11.521 -11.625 -15.616 384 HA THR 53 HA THR 53 11.472 -10.605 -18.422 385 HB THR 53 HB THR 53 9.041 -10.625 -18.227 386 HG1 THR 53 1HG THR 53 9.484 -11.828 -15.695 387 HG21 THR 53 1HG2 THR 53 10.148 -12.706 -19.017 388 HG22 THR 53 2HG2 THR 53 8.610 -13.010 -18.187 389 HG23 THR 53 3HG2 THR 53 10.145 -13.329 -17.352 390 H GLY 54 H GLY 54 11.684 -9.612 -15.157 391 HA2 GLY 54 1HA GLY 54 11.906 -7.576 -14.225 392 HA3 GLY 54 2HA GLY 54 11.904 -6.888 -15.852 393 H GLN 55 H GLN 55 9.031 -8.623 -15.256 394 HA GLN 55 HA GLN 55 7.410 -6.174 -15.022 395 HB2 GLN 55 1HB GLN 55 6.503 -9.077 -15.097 396 HB3 GLN 55 2HB GLN 55 5.522 -7.640 -15.381 397 HG2 GLN 55 1HG GLN 55 7.700 -8.782 -17.171 398 HG3 GLN 55 2HG GLN 55 5.983 -8.689 -17.503 399 HE21 GLN 55 1HE2 GLN 55 8.970 -7.147 -18.070 400 HE22 GLN 55 2HE2 GLN 55 8.311 -5.605 -18.614 401 H HIS 56 H HIS 56 5.599 -6.089 -13.342 402 HA HIS 56 HA HIS 56 6.695 -6.667 -10.697 403 HB2 HIS 56 1HB HIS 56 4.944 -5.503 -9.770 404 HB3 HIS 56 2HB HIS 56 5.298 -4.643 -11.259 405 HD2 HIS 56 2HD HIS 56 3.171 -4.029 -12.644 406 HE1 HIS 56 1HE HIS 56 0.388 -6.758 -10.927 407 HE2 HIS 56 2HE HIS 56 0.643 -4.790 -12.494 408 H GLN 57 H GLN 57 5.731 -7.948 -9.064 409 HA GLN 57 HA GLN 57 4.948 -10.573 -10.177 410 HB2 GLN 57 1HB GLN 57 6.210 -9.739 -7.554 411 HB3 GLN 57 2HB GLN 57 5.822 -11.412 -7.984 412 HG2 GLN 57 1HG GLN 57 7.312 -11.341 -9.917 413 HG3 GLN 57 2HG GLN 57 7.677 -9.637 -9.630 414 HE21 GLN 57 1HE2 GLN 57 8.632 -9.103 -7.444 415 HE22 GLN 57 2HE2 GLN 57 9.778 -10.277 -6.780 416 H GLY 58 H GLY 58 2.908 -8.397 -9.653 417 HA2 GLY 58 1HA GLY 58 0.634 -8.579 -9.238 418 HA3 GLY 58 2HA GLY 58 0.877 -10.125 -8.431 419 H TYR 59 H TYR 59 3.005 -7.900 -7.023 420 HA TYR 59 HA TYR 59 1.037 -6.751 -5.159 421 HB2 TYR 59 1HB TYR 59 2.081 -7.546 -3.192 422 HB3 TYR 59 2HB TYR 59 1.704 -8.934 -4.186 423 HD1 TYR 59 1HD TYR 59 3.577 -10.101 -5.462 424 HD2 TYR 59 2HD TYR 59 4.327 -7.073 -2.480 425 HE1 TYR 59 1HE TYR 59 5.939 -10.870 -5.271 426 HE2 TYR 59 2HE TYR 59 6.664 -7.893 -2.245 427 HH TYR 59 HH TYR 59 8.264 -9.349 -3.002 428 H GLY 60 H GLY 60 1.848 -5.112 -3.779 429 HA2 GLY 60 1HA GLY 60 4.425 -3.808 -4.386 430 HA3 GLY 60 2HA GLY 60 2.957 -2.945 -4.853 431 H PHE 61 H PHE 61 4.366 -1.562 -3.261 432 HA PHE 61 HA PHE 61 2.963 -1.582 -0.658 433 HB2 PHE 61 1HB PHE 61 5.945 -1.131 -0.982 434 HB3 PHE 61 2HB PHE 61 5.056 -1.082 0.507 435 HD1 PHE 61 1HD PHE 61 4.409 -3.122 1.689 436 HD2 PHE 61 2HD PHE 61 6.532 -3.288 -2.056 437 HE1 PHE 61 1HE PHE 61 4.990 -5.503 2.121 438 HE2 PHE 61 2HE PHE 61 7.094 -5.664 -1.635 439 HZ PHE 61 HZ PHE 61 6.297 -6.788 0.437 440 H VAL 62 H VAL 62 2.822 0.426 0.377 441 HA VAL 62 HA VAL 62 3.757 2.860 -1.088 442 HB VAL 62 HB VAL 62 0.975 2.677 0.118 443 HG11 VAL 62 1HG1 VAL 62 0.617 4.741 -1.140 444 HG12 VAL 62 2HG1 VAL 62 1.945 4.925 0.002 445 HG13 VAL 62 3HG1 VAL 62 2.286 4.691 -1.733 446 HG21 VAL 62 1HG2 VAL 62 1.774 2.354 -2.783 447 HG22 VAL 62 2HG2 VAL 62 0.917 1.167 -1.774 448 HG23 VAL 62 3HG2 VAL 62 0.122 2.674 -2.218 449 H GLU 63 H GLU 63 4.912 4.126 0.223 450 HA GLU 63 HA GLU 63 4.788 3.714 3.170 451 HB2 GLU 63 1HB GLU 63 6.929 3.399 1.984 452 HB3 GLU 63 2HB GLU 63 6.861 5.092 1.459 453 HG2 GLU 63 1HG GLU 63 7.104 5.904 3.697 454 HG3 GLU 63 2HG GLU 63 6.798 4.313 4.394 455 H PHE 64 H PHE 64 3.648 5.084 4.344 456 HA PHE 64 HA PHE 64 3.008 7.805 3.348 457 HB2 PHE 64 1HB PHE 64 1.854 6.065 5.553 458 HB3 PHE 64 2HB PHE 64 1.447 7.754 5.336 459 HD1 PHE 64 1HD PHE 64 0.170 8.570 3.457 460 HD2 PHE 64 2HD PHE 64 1.082 4.376 3.863 461 HE1 PHE 64 1HE PHE 64 -1.588 8.020 1.782 462 HE2 PHE 64 2HE PHE 64 -0.681 3.836 2.191 463 HZ PHE 64 HZ PHE 64 -2.042 5.678 1.189 464 H LEU 65 H LEU 65 3.088 9.600 4.798 465 HA LEU 65 HA LEU 65 5.577 9.926 6.124 466 HB2 LEU 65 1HB LEU 65 3.956 11.668 5.084 467 HB3 LEU 65 2HB LEU 65 3.065 11.553 6.607 468 HG LEU 65 HG LEU 65 5.273 12.181 7.776 469 HD11 LEU 65 1HD1 LEU 65 5.981 12.997 4.920 470 HD12 LEU 65 2HD1 LEU 65 6.816 11.754 5.880 471 HD13 LEU 65 3HD1 LEU 65 6.886 13.448 6.381 472 HD21 LEU 65 1HD2 LEU 65 4.950 14.588 7.304 473 HD22 LEU 65 2HD2 LEU 65 3.396 13.760 7.488 474 HD23 LEU 65 3HD2 LEU 65 3.985 14.182 5.865 475 H SER 66 H SER 66 2.417 8.967 7.397 476 HA SER 66 HA SER 66 3.617 8.339 10.056 477 HB2 SER 66 1HB SER 66 0.921 9.704 9.881 478 HB3 SER 66 2HB SER 66 1.963 9.444 11.283 479 HG SER 66 HG SER 66 2.153 11.364 9.250 480 H GLU 67 H GLU 67 2.544 6.900 11.314 481 HA GLU 67 HA GLU 67 1.604 4.596 9.941 482 HB2 GLU 67 1HB GLU 67 1.465 5.395 12.862 483 HB3 GLU 67 2HB GLU 67 1.244 3.758 12.233 484 HG2 GLU 67 1HG GLU 67 3.518 3.638 11.446 485 HG3 GLU 67 2HG GLU 67 3.814 5.326 11.859 486 H GLU 68 H GLU 68 -0.208 7.210 11.533 487 HA GLU 68 HA GLU 68 -2.782 5.886 11.393 488 HB2 GLU 68 1HB GLU 68 -3.711 8.029 12.014 489 HB3 GLU 68 2HB GLU 68 -2.322 7.632 13.023 490 HG2 GLU 68 1HG GLU 68 -0.903 9.169 11.634 491 HG3 GLU 68 2HG GLU 68 -2.329 9.595 10.685 492 H ASP 69 H ASP 69 -0.917 7.713 9.039 493 HA ASP 69 HA ASP 69 -3.174 8.115 7.190 494 HB2 ASP 69 1HB ASP 69 -0.166 8.343 6.821 495 HB3 ASP 69 2HB ASP 69 -1.354 8.745 5.599 496 H ALA 70 H ALA 70 -0.603 5.707 7.746 497 HA ALA 70 HA ALA 70 -1.215 4.085 5.432 498 HB1 ALA 70 1HB ALA 70 0.172 2.405 6.634 499 HB2 ALA 70 2HB ALA 70 0.944 4.003 6.629 500 HB3 ALA 70 3HB ALA 70 0.143 3.404 8.093 501 H ASP 71 H ASP 71 -2.242 3.910 8.900 502 HA ASP 71 HA ASP 71 -4.006 1.717 8.697 503 HB2 ASP 71 1HB ASP 71 -3.273 2.801 10.791 504 HB3 ASP 71 2HB ASP 71 -4.251 4.218 10.405 505 H TYR 72 H TYR 72 -4.615 5.126 7.833 506 HA TYR 72 HA TYR 72 -7.425 4.773 7.228 507 HB2 TYR 72 1HB TYR 72 -6.160 6.933 7.744 508 HB3 TYR 72 2HB TYR 72 -5.571 6.886 6.090 509 HD1 TYR 72 1HD TYR 72 -7.388 6.794 4.190 510 HD2 TYR 72 2HD TYR 72 -8.253 7.855 8.280 511 HE1 TYR 72 1HE TYR 72 -9.437 7.986 3.446 512 HE2 TYR 72 2HE TYR 72 -10.277 9.087 7.530 513 HH TYR 72 HH TYR 72 -11.588 9.706 5.743 514 H ALA 73 H ALA 73 -4.429 4.482 5.212 515 HA ALA 73 HA ALA 73 -5.876 4.111 2.728 516 HB1 ALA 73 1HB ALA 73 -3.522 4.821 2.855 517 HB2 ALA 73 2HB ALA 73 -3.068 3.259 3.560 518 HB3 ALA 73 3HB ALA 73 -3.706 3.334 1.903 519 H ILE 74 H ILE 74 -4.718 1.848 5.243 520 HA ILE 74 HA ILE 74 -5.589 -0.564 3.940 521 HB ILE 74 HB ILE 74 -5.311 0.027 6.914 522 HG12 ILE 74 1HG1 ILE 74 -3.294 -1.372 5.105 523 HG13 ILE 74 2HG1 ILE 74 -3.241 0.359 5.381 524 HG21 ILE 74 1HG2 ILE 74 -6.616 -2.030 6.560 525 HG22 ILE 74 2HG2 ILE 74 -5.441 -2.603 5.363 526 HG23 ILE 74 3HG2 ILE 74 -4.999 -2.492 7.073 527 HD11 ILE 74 1HD1 ILE 74 -2.982 -1.724 7.567 528 HD12 ILE 74 2HD1 ILE 74 -1.687 -0.771 6.826 529 HD13 ILE 74 3HD1 ILE 74 -2.934 0.044 7.777 530 H LYS 75 H LYS 75 -7.328 1.849 5.876 531 HA LYS 75 HA LYS 75 -9.793 0.381 6.133 532 HB2 LYS 75 1HB LYS 75 -9.118 2.328 7.544 533 HB3 LYS 75 2HB LYS 75 -9.354 3.397 6.156 534 HG2 LYS 75 1HG LYS 75 -11.742 2.733 6.036 535 HG3 LYS 75 2HG LYS 75 -11.479 1.668 7.420 536 HD2 LYS 75 1HD LYS 75 -12.475 3.657 8.271 537 HD3 LYS 75 2HD LYS 75 -10.769 3.744 8.745 538 HE2 LYS 75 1HE LYS 75 -10.300 5.280 6.872 539 HE3 LYS 75 2HE LYS 75 -11.958 5.098 6.278 540 HZ1 LYS 75 1HZ LYS 75 -11.732 7.120 7.576 541 HZ2 LYS 75 2HZ LYS 75 -11.207 6.301 8.890 542 HZ3 LYS 75 3HZ LYS 75 -12.741 6.108 8.358 543 H ILE 76 H ILE 76 -8.766 2.850 3.704 544 HA ILE 76 HA ILE 76 -11.321 2.504 2.325 545 HB ILE 76 HB ILE 76 -10.591 4.299 0.867 546 HG12 ILE 76 1HG1 ILE 76 -8.159 4.765 2.610 547 HG13 ILE 76 2HG1 ILE 76 -8.044 3.824 1.144 548 HG21 ILE 76 1HG2 ILE 76 -10.217 4.964 3.825 549 HG22 ILE 76 2HG2 ILE 76 -10.810 6.049 2.553 550 HG23 ILE 76 3HG2 ILE 76 -11.792 4.667 3.048 551 HD11 ILE 76 1HD1 ILE 76 -8.896 6.715 1.408 552 HD12 ILE 76 2HD1 ILE 76 -7.450 6.068 0.610 553 HD13 ILE 76 3HD1 ILE 76 -9.041 5.781 -0.105 554 H MET 77 H MET 77 -7.962 1.533 1.542 555 HA MET 77 HA MET 77 -8.794 0.909 -1.215 556 HB2 MET 77 1HB MET 77 -6.131 1.008 0.126 557 HB3 MET 77 2HB MET 77 -6.324 0.437 -1.525 558 HG2 MET 77 1HG MET 77 -7.365 3.143 -0.673 559 HG3 MET 77 2HG MET 77 -5.704 2.908 -1.152 560 HE1 MET 77 1HE MET 77 -6.921 5.003 -2.381 561 HE2 MET 77 2HE MET 77 -5.629 4.427 -3.472 562 HE3 MET 77 3HE MET 77 -7.246 4.818 -4.111 563 H ASP 78 H ASP 78 -9.169 -0.818 1.431 564 HA ASP 78 HA ASP 78 -8.186 -3.387 0.365 565 HB2 ASP 78 1HB ASP 78 -7.938 -2.903 2.781 566 HB3 ASP 78 2HB ASP 78 -9.699 -2.871 2.951 567 H MET 79 H MET 79 -9.373 -5.000 -0.483 568 HA MET 79 HA MET 79 -10.891 -5.922 -1.785 569 HB2 MET 79 1HB MET 79 -13.076 -4.849 0.019 570 HB3 MET 79 2HB MET 79 -13.129 -6.244 -1.063 571 HG2 MET 79 1HG MET 79 -11.082 -7.093 0.347 572 HG3 MET 79 2HG MET 79 -11.627 -5.913 1.536 573 HE1 MET 79 1HE MET 79 -13.335 -8.562 -0.911 574 HE2 MET 79 2HE MET 79 -11.962 -9.313 -0.075 575 HE3 MET 79 3HE MET 79 -13.620 -9.862 0.269 576 H ILE 80 H ILE 80 -10.227 -2.959 -2.204 577 HA ILE 80 HA ILE 80 -12.318 -2.061 -4.049 578 HB ILE 80 HB ILE 80 -9.691 -1.070 -3.041 579 HG12 ILE 80 1HG1 ILE 80 -12.453 0.079 -3.535 580 HG13 ILE 80 2HG1 ILE 80 -11.664 -0.277 -1.998 581 HG21 ILE 80 1HG2 ILE 80 -9.190 -1.001 -5.416 582 HG22 ILE 80 2HG2 ILE 80 -10.666 -0.029 -5.703 583 HG23 ILE 80 3HG2 ILE 80 -9.316 0.583 -4.698 584 HD11 ILE 80 1HD1 ILE 80 -11.654 2.097 -2.261 585 HD12 ILE 80 2HD1 ILE 80 -9.989 1.586 -2.595 586 HD13 ILE 80 3HD1 ILE 80 -11.075 2.000 -3.930 587 H LYS 81 H LYS 81 -12.103 -1.965 -6.327 588 HA LYS 81 HA LYS 81 -10.527 -4.233 -7.476 589 HB2 LYS 81 1HB LYS 81 -13.198 -3.045 -8.269 590 HB3 LYS 81 2HB LYS 81 -12.334 -4.313 -9.161 591 HG2 LYS 81 1HG LYS 81 -12.389 -5.726 -7.045 592 HG3 LYS 81 2HG LYS 81 -13.427 -4.495 -6.321 593 HD2 LYS 81 1HD LYS 81 -14.901 -6.167 -7.088 594 HD3 LYS 81 2HD LYS 81 -15.027 -4.862 -8.277 595 HE2 LYS 81 1HE LYS 81 -13.363 -6.117 -9.718 596 HE3 LYS 81 2HE LYS 81 -13.406 -7.434 -8.540 597 HZ1 LYS 81 1HZ LYS 81 -15.791 -7.677 -8.986 598 HZ2 LYS 81 2HZ LYS 81 -14.948 -7.844 -10.373 599 HZ3 LYS 81 3HZ LYS 81 -15.759 -6.460 -10.076 600 H LEU 82 H LEU 82 -8.741 -2.655 -7.543 601 HA LEU 82 HA LEU 82 -8.663 -0.470 -9.380 602 HB2 LEU 82 1HB LEU 82 -7.005 -0.934 -7.577 603 HB3 LEU 82 2HB LEU 82 -6.431 -2.342 -8.466 604 HG LEU 82 HG LEU 82 -5.555 -0.928 -10.252 605 HD11 LEU 82 1HD1 LEU 82 -7.142 0.907 -10.366 606 HD12 LEU 82 2HD1 LEU 82 -5.573 1.587 -9.957 607 HD13 LEU 82 3HD1 LEU 82 -6.792 1.378 -8.686 608 HD21 LEU 82 1HD2 LEU 82 -4.169 -1.307 -8.232 609 HD22 LEU 82 2HD2 LEU 82 -4.836 0.165 -7.494 610 HD23 LEU 82 3HD2 LEU 82 -3.834 0.277 -8.953 611 H TYR 83 H TYR 83 -8.551 -0.400 -11.628 612 HA TYR 83 HA TYR 83 -9.234 -1.230 -13.632 613 HB2 TYR 83 1HB TYR 83 -6.753 -2.928 -13.279 614 HB3 TYR 83 2HB TYR 83 -7.497 -2.482 -14.806 615 HD1 TYR 83 1HD TYR 83 -7.950 0.225 -15.008 616 HD2 TYR 83 2HD TYR 83 -4.818 -1.723 -12.769 617 HE1 TYR 83 1HE TYR 83 -6.544 2.268 -15.200 618 HE2 TYR 83 2HE TYR 83 -3.398 0.304 -13.006 619 HH TYR 83 HH TYR 83 -4.528 3.239 -14.731 620 H GLY 84 H GLY 84 -10.686 -2.747 -11.540 621 HA2 GLY 84 1HA GLY 84 -12.374 -4.303 -11.721 622 HA3 GLY 84 2HA GLY 84 -11.820 -4.733 -13.334 623 H LYS 85 H LYS 85 -9.715 -4.985 -10.503 624 HA LYS 85 HA LYS 85 -9.962 -7.909 -10.288 625 HB2 LYS 85 1HB LYS 85 -8.129 -7.423 -11.885 626 HB3 LYS 85 2HB LYS 85 -7.357 -6.375 -10.686 627 HG2 LYS 85 1HG LYS 85 -7.129 -8.346 -9.151 628 HG3 LYS 85 2HG LYS 85 -7.873 -9.373 -10.392 629 HD2 LYS 85 1HD LYS 85 -6.015 -8.831 -11.952 630 HD3 LYS 85 2HD LYS 85 -5.289 -7.778 -10.715 631 HE2 LYS 85 1HE LYS 85 -5.090 -9.721 -9.181 632 HE3 LYS 85 2HE LYS 85 -5.796 -10.773 -10.415 633 HZ1 LYS 85 1HZ LYS 85 -3.235 -9.280 -10.702 634 HZ2 LYS 85 2HZ LYS 85 -3.889 -10.256 -11.848 635 HZ3 LYS 85 3HZ LYS 85 -3.369 -10.891 -10.438 636 HA PRO 86 HA PRO 86 -10.233 -6.066 -6.225 637 HB2 PRO 86 1HB PRO 86 -10.596 -8.314 -4.669 638 HB3 PRO 86 2HB PRO 86 -11.856 -7.549 -5.685 639 HG2 PRO 86 1HG PRO 86 -10.099 -9.919 -6.354 640 HG3 PRO 86 2HG PRO 86 -11.864 -9.734 -6.608 641 HD2 PRO 86 1HD PRO 86 -10.074 -9.338 -8.608 642 HD3 PRO 86 2HD PRO 86 -11.521 -8.282 -8.479 643 H ILE 87 H ILE 87 -8.658 -5.193 -5.123 644 HA ILE 87 HA ILE 87 -6.146 -6.668 -4.561 645 HB ILE 87 HB ILE 87 -5.225 -4.487 -3.878 646 HG12 ILE 87 1HG1 ILE 87 -7.565 -3.134 -5.254 647 HG13 ILE 87 2HG1 ILE 87 -7.552 -3.374 -3.504 648 HG21 ILE 87 1HG2 ILE 87 -6.280 -4.679 -6.734 649 HG22 ILE 87 2HG2 ILE 87 -4.917 -3.676 -6.206 650 HG23 ILE 87 3HG2 ILE 87 -4.811 -5.435 -6.084 651 HD11 ILE 87 1HD1 ILE 87 -5.482 -1.796 -5.086 652 HD12 ILE 87 2HD1 ILE 87 -6.768 -1.141 -4.060 653 HD13 ILE 87 3HD1 ILE 87 -5.455 -2.081 -3.329 654 H ARG 88 H ARG 88 -5.310 -6.912 -2.538 655 HA ARG 88 HA ARG 88 -7.084 -6.265 -0.210 656 HB2 ARG 88 1HB ARG 88 -5.057 -8.522 -0.415 657 HB3 ARG 88 2HB ARG 88 -5.979 -8.091 1.020 658 HG2 ARG 88 1HG ARG 88 -7.035 -9.270 -1.571 659 HG3 ARG 88 2HG ARG 88 -6.997 -10.014 0.024 660 HD2 ARG 88 1HD ARG 88 -8.766 -7.727 -0.910 661 HD3 ARG 88 2HD ARG 88 -9.271 -9.352 -0.500 662 HE ARG 88 HE ARG 88 -8.550 -7.144 1.356 663 HH11 ARG 88 1HH1 ARG 88 -9.327 -10.568 1.255 664 HH12 ARG 88 2HH1 ARG 88 -9.917 -10.551 2.895 665 HH21 ARG 88 1HH2 ARG 88 -9.422 -7.155 3.319 666 HH22 ARG 88 2HH2 ARG 88 -9.920 -8.662 4.062 667 H VAL 89 H VAL 89 -6.277 -5.171 1.475 668 HA VAL 89 HA VAL 89 -3.462 -4.197 1.276 669 HB VAL 89 HB VAL 89 -5.860 -2.434 1.867 670 HG11 VAL 89 1HG1 VAL 89 -2.929 -1.726 1.411 671 HG12 VAL 89 2HG1 VAL 89 -4.263 -0.578 1.660 672 HG13 VAL 89 3HG1 VAL 89 -3.779 -1.657 2.965 673 HG21 VAL 89 1HG2 VAL 89 -5.831 -3.015 -0.527 674 HG22 VAL 89 2HG2 VAL 89 -5.256 -1.361 -0.324 675 HG23 VAL 89 3HG2 VAL 89 -4.094 -2.666 -0.605 676 H ASN 90 H ASN 90 -2.354 -3.912 3.118 677 HA ASN 90 HA ASN 90 -3.521 -3.882 5.790 678 HB2 ASN 90 1HB ASN 90 -3.564 -6.351 5.016 679 HB3 ASN 90 2HB ASN 90 -1.810 -6.262 4.987 680 HD21 ASN 90 1HD2 ASN 90 -2.380 -8.185 6.521 681 HD22 ASN 90 2HD2 ASN 90 -2.514 -7.751 8.219 682 H LYS 91 H LYS 91 -1.474 -4.160 7.398 683 HA LYS 91 HA LYS 91 0.527 -2.153 6.879 684 HB2 LYS 91 1HB LYS 91 0.708 -4.548 8.753 685 HB3 LYS 91 2HB LYS 91 1.618 -3.051 8.880 686 HG2 LYS 91 1HG LYS 91 -1.406 -3.283 9.218 687 HG3 LYS 91 2HG LYS 91 -0.256 -3.381 10.528 688 HD2 LYS 91 1HD LYS 91 -0.404 -0.975 8.663 689 HD3 LYS 91 2HD LYS 91 -1.417 -1.109 10.087 690 HE2 LYS 91 1HE LYS 91 1.641 -1.146 10.077 691 HE3 LYS 91 2HE LYS 91 0.651 0.281 10.371 692 HZ1 LYS 91 1HZ LYS 91 0.757 -2.125 12.096 693 HZ2 LYS 91 2HZ LYS 91 -0.279 -0.865 12.333 694 HZ3 LYS 91 3HZ LYS 91 1.344 -0.642 12.433 695 H ALA 92 H ALA 92 2.720 -2.329 6.229 696 HA ALA 92 HA ALA 92 3.532 -4.768 4.797 697 HB1 ALA 92 1HB ALA 92 5.110 -2.256 5.438 698 HB2 ALA 92 2HB ALA 92 5.544 -3.517 4.269 699 HB3 ALA 92 3HB ALA 92 4.114 -2.503 3.984 700 H SER 93 H SER 93 3.987 -3.414 8.026 701 HA SER 93 HA SER 93 6.045 -5.223 8.919 702 HB2 SER 93 1HB SER 93 5.296 -4.469 11.187 703 HB3 SER 93 2HB SER 93 5.714 -3.153 10.079 704 HG SER 93 HG SER 93 3.739 -2.772 11.224 705 H ALA 94 H ALA 94 2.698 -5.125 10.009 706 HA ALA 94 HA ALA 94 1.103 -6.561 10.572 707 HB1 ALA 94 1HB ALA 94 2.160 -8.110 8.193 708 HB2 ALA 94 2HB ALA 94 0.540 -8.265 8.912 709 HB3 ALA 94 3HB ALA 94 1.024 -6.738 8.166 710 H HIS 95 H HIS 95 4.210 -8.171 10.783 711 HA HIS 95 HA HIS 95 3.197 -10.503 12.203 712 HB2 HIS 95 1HB HIS 95 5.985 -9.381 11.801 713 HB3 HIS 95 2HB HIS 95 5.646 -10.874 12.674 714 HD2 HIS 95 2HD HIS 95 6.028 -9.548 9.159 715 HE1 HIS 95 1HE HIS 95 4.690 -13.574 8.716 716 HE2 HIS 95 2HE HIS 95 5.634 -11.551 7.488 717 H ASN 96 H ASN 96 3.390 -7.350 13.221 718 HA ASN 96 HA ASN 96 3.214 -8.149 16.076 719 HB2 ASN 96 1HB ASN 96 5.469 -7.179 15.694 720 HB3 ASN 96 2HB ASN 96 4.731 -5.747 14.968 721 HD21 ASN 96 1HD2 ASN 96 5.801 -4.424 16.586 722 HD22 ASN 96 2HD2 ASN 96 5.029 -4.310 18.170 723 H LYS 97 H LYS 97 1.733 -6.939 17.281 724 HA LYS 97 HA LYS 97 -0.547 -5.861 15.801 725 HB2 LYS 97 1HB LYS 97 -0.752 -7.332 17.787 726 HB3 LYS 97 2HB LYS 97 -0.016 -6.081 18.796 727 HG2 LYS 97 1HG LYS 97 -1.913 -4.555 18.289 728 HG3 LYS 97 2HG LYS 97 -2.629 -5.798 17.242 729 HD2 LYS 97 1HD LYS 97 -2.823 -7.323 19.192 730 HD3 LYS 97 2HD LYS 97 -2.091 -6.082 20.235 731 HE2 LYS 97 1HE LYS 97 -3.957 -4.533 19.697 732 HE3 LYS 97 2HE LYS 97 -4.685 -5.765 18.656 733 HZ1 LYS 97 1HZ LYS 97 -4.928 -7.187 20.624 734 HZ2 LYS 97 2HZ LYS 97 -5.692 -5.767 20.867 735 HZ3 LYS 97 3HZ LYS 97 -4.255 -6.049 21.585 736 H ASN 98 H ASN 98 1.794 -4.464 18.119 737 HA ASN 98 HA ASN 98 1.601 -1.825 16.887 738 HB2 ASN 98 1HB ASN 98 0.790 -0.641 18.855 739 HB3 ASN 98 2HB ASN 98 -0.404 -1.838 18.385 740 HD21 ASN 98 1HD2 ASN 98 1.983 -0.932 20.870 741 HD22 ASN 98 2HD2 ASN 98 1.442 -2.132 22.024 742 H LEU 99 H LEU 99 3.128 -0.295 17.740 743 HA LEU 99 HA LEU 99 5.535 -1.460 19.022 744 HB2 LEU 99 1HB LEU 99 4.889 1.220 17.739 745 HB3 LEU 99 2HB LEU 99 6.302 0.993 18.757 746 HG LEU 99 HG LEU 99 7.139 -0.801 17.270 747 HD11 LEU 99 1HD1 LEU 99 5.128 -1.613 16.152 748 HD12 LEU 99 2HD1 LEU 99 6.229 -0.955 14.946 749 HD13 LEU 99 3HD1 LEU 99 4.819 -0.002 15.459 750 HD21 LEU 99 1HD2 LEU 99 7.870 1.545 17.029 751 HD22 LEU 99 2HD2 LEU 99 6.544 1.844 15.881 752 HD23 LEU 99 3HD2 LEU 99 7.851 0.710 15.469 753 H SER 100 H SER 100 6.433 -0.513 20.955 754 HA SER 100 HA SER 100 4.519 0.850 22.797 755 HB2 SER 100 1HB SER 100 6.052 -1.702 23.422 756 HB3 SER 100 2HB SER 100 5.165 -0.722 24.602 757 HG SER 100 HG SER 100 3.931 -2.496 23.810 758 H GLY 101 H GLY 101 5.425 2.139 24.346 759 HA2 GLY 101 1HA GLY 101 8.215 2.991 24.039 760 HA3 GLY 101 2HA GLY 101 7.003 3.674 25.117 761 HA PRO 102 HA PRO 102 10.035 0.993 27.586 762 HB2 PRO 102 1HB PRO 102 11.407 2.932 28.931 763 HB3 PRO 102 2HB PRO 102 11.860 2.390 27.285 764 HG2 PRO 102 1HG PRO 102 10.172 4.799 28.048 765 HG3 PRO 102 2HG PRO 102 11.584 4.747 26.943 766 HD2 PRO 102 1HD PRO 102 9.027 4.631 26.015 767 HD3 PRO 102 2HD PRO 102 10.334 3.679 25.246 768 H SER 103 H SER 103 10.000 0.703 29.905 769 HA SER 103 HA SER 103 8.110 2.275 31.538 770 HB2 SER 103 1HB SER 103 6.702 0.562 30.420 771 HB3 SER 103 2HB SER 103 7.738 -0.714 31.089 772 HG SER 103 HG SER 103 5.796 -0.229 32.328 773 H SER 104 H SER 104 8.245 1.826 33.779 774 HA SER 104 HA SER 104 10.872 0.931 34.768 775 HB2 SER 104 1HB SER 104 9.595 2.946 35.611 776 HB3 SER 104 2HB SER 104 8.430 1.826 36.341 777 HG SER 104 HG SER 104 10.093 2.500 37.801 778 H GLY 105 H GLY 105 7.749 -0.483 34.262 779 HA2 GLY 105 1HA GLY 105 7.737 -2.536 36.304 780 HA3 GLY 105 2HA GLY 105 6.739 -2.479 34.853 Start of MODEL 19 1 H1 GLY 1 1H GLY 1 -7.190 -17.727 4.077 2 H2 GLY 1 2H GLY 1 -7.822 -16.879 5.331 3 H3 GLY 1 3H GLY 1 -7.347 -18.431 5.549 4 HA2 GLY 1 1HA GLY 1 -5.046 -17.855 5.164 5 HA3 GLY 1 2HA GLY 1 -5.555 -16.177 4.903 6 H SER 2 H SER 2 -3.728 -17.385 6.934 7 HA SER 2 HA SER 2 -4.966 -17.342 9.522 8 HB2 SER 2 1HB SER 2 -2.050 -16.944 8.763 9 HB3 SER 2 2HB SER 2 -2.671 -17.356 10.374 10 HG SER 2 HG SER 2 -1.960 -19.213 9.213 11 H SER 3 H SER 3 -4.631 -15.857 11.260 12 HA SER 3 HA SER 3 -4.885 -13.034 10.570 13 HB2 SER 3 1HB SER 3 -4.578 -14.417 13.263 14 HB3 SER 3 2HB SER 3 -4.892 -12.689 13.027 15 HG SER 3 HG SER 3 -6.570 -14.832 12.161 16 H GLY 4 H GLY 4 -3.499 -11.320 11.177 17 HA2 GLY 4 1HA GLY 4 -0.768 -11.873 12.098 18 HA3 GLY 4 2HA GLY 4 -0.894 -11.274 10.446 19 H SER 5 H SER 5 0.450 -10.021 12.566 20 HA SER 5 HA SER 5 -0.935 -7.404 12.875 21 HB2 SER 5 1HB SER 5 -0.355 -7.371 15.269 22 HB3 SER 5 2HB SER 5 -1.454 -8.703 14.891 23 HG SER 5 HG SER 5 0.430 -10.068 14.773 24 H SER 6 H SER 6 0.559 -5.672 13.627 25 HA SER 6 HA SER 6 2.947 -5.627 12.075 26 HB2 SER 6 1HB SER 6 1.849 -3.771 14.188 27 HB3 SER 6 2HB SER 6 3.407 -3.488 13.385 28 HG SER 6 HG SER 6 2.417 -3.486 11.413 29 H GLY 7 H GLY 7 4.593 -6.917 12.475 30 HA2 GLY 7 1HA GLY 7 5.779 -7.337 15.152 31 HA3 GLY 7 2HA GLY 7 6.350 -7.969 13.606 32 HA PRO 8 HA PRO 8 9.097 -4.334 14.823 33 HB2 PRO 8 1HB PRO 8 11.481 -5.675 14.939 34 HB3 PRO 8 2HB PRO 8 10.364 -5.543 16.334 35 HG2 PRO 8 1HG PRO 8 10.611 -7.838 14.358 36 HG3 PRO 8 2HG PRO 8 10.585 -7.919 16.150 37 HD2 PRO 8 1HD PRO 8 8.350 -8.351 14.663 38 HD3 PRO 8 2HD PRO 8 8.261 -7.484 16.226 39 H ILE 9 H ILE 9 10.474 -3.272 13.358 40 HA ILE 9 HA ILE 9 10.182 -4.006 10.556 41 HB ILE 9 HB ILE 9 11.196 -2.029 9.992 42 HG12 ILE 9 1HG1 ILE 9 11.902 -1.494 12.910 43 HG13 ILE 9 2HG1 ILE 9 13.051 -1.972 11.648 44 HG21 ILE 9 1HG2 ILE 9 9.559 -0.505 10.849 45 HG22 ILE 9 2HG2 ILE 9 8.805 -2.100 10.922 46 HG23 ILE 9 3HG2 ILE 9 9.446 -1.365 12.396 47 HD11 ILE 9 1HD1 ILE 9 11.407 0.574 11.656 48 HD12 ILE 9 2HD1 ILE 9 13.160 0.417 11.903 49 HD13 ILE 9 3HD1 ILE 9 12.447 0.014 10.323 50 H SER 10 H SER 10 11.784 -4.436 9.014 51 HA SER 10 HA SER 10 14.345 -5.562 10.102 52 HB2 SER 10 1HB SER 10 14.371 -7.005 8.133 53 HB3 SER 10 2HB SER 10 12.939 -7.261 9.143 54 HG SER 10 HG SER 10 12.451 -7.153 6.886 55 H GLU 11 H GLU 11 13.021 -3.533 7.495 56 HA GLU 11 HA GLU 11 15.793 -2.479 6.960 57 HB2 GLU 11 1HB GLU 11 13.826 -3.556 4.896 58 HB3 GLU 11 2HB GLU 11 15.282 -2.635 4.515 59 HG2 GLU 11 1HG GLU 11 16.654 -4.391 5.685 60 HG3 GLU 11 2HG GLU 11 15.191 -5.368 5.843 61 H ARG 12 H ARG 12 12.382 -1.707 7.121 62 HA ARG 12 HA ARG 12 12.899 1.122 6.449 63 HB2 ARG 12 1HB ARG 12 12.398 -0.266 4.313 64 HB3 ARG 12 2HB ARG 12 10.789 -0.527 4.964 65 HG2 ARG 12 1HG ARG 12 10.791 1.223 3.284 66 HG3 ARG 12 2HG ARG 12 10.352 1.920 4.834 67 HD2 ARG 12 1HD ARG 12 12.722 2.751 5.086 68 HD3 ARG 12 2HD ARG 12 13.094 2.043 3.500 69 HE ARG 12 HE ARG 12 10.814 3.916 3.547 70 HH11 ARG 12 1HH1 ARG 12 14.319 3.891 3.218 71 HH12 ARG 12 2HH1 ARG 12 14.304 5.373 2.302 72 HH21 ARG 12 1HH2 ARG 12 10.851 5.577 2.306 73 HH22 ARG 12 2HH2 ARG 12 12.351 6.375 1.817 74 H ASN 13 H ASN 13 10.768 2.429 6.756 75 HA ASN 13 HA ASN 13 9.514 1.711 9.279 76 HB2 ASN 13 1HB ASN 13 9.329 4.046 7.367 77 HB3 ASN 13 2HB ASN 13 8.074 3.813 8.580 78 HD21 ASN 13 1HD2 ASN 13 8.771 3.442 10.846 79 HD22 ASN 13 2HD2 ASN 13 10.145 4.415 11.404 80 H GLN 14 H GLN 14 8.889 -0.415 8.444 81 HA GLN 14 HA GLN 14 6.582 -0.802 6.784 82 HB2 GLN 14 1HB GLN 14 7.912 -2.502 8.918 83 HB3 GLN 14 2HB GLN 14 6.645 -3.081 7.848 84 HG2 GLN 14 1HG GLN 14 8.005 -2.938 5.915 85 HG3 GLN 14 2HG GLN 14 9.207 -1.919 6.705 86 HE21 GLN 14 1HE2 GLN 14 7.819 -5.250 6.799 87 HE22 GLN 14 2HE2 GLN 14 9.311 -5.961 7.421 88 H ASP 15 H ASP 15 6.764 0.596 9.836 89 HA ASP 15 HA ASP 15 4.095 -0.075 10.818 90 HB2 ASP 15 1HB ASP 15 4.645 1.551 12.541 91 HB3 ASP 15 2HB ASP 15 5.954 0.392 12.345 92 H ALA 16 H ALA 16 5.552 2.326 8.691 93 HA ALA 16 HA ALA 16 2.919 3.706 8.384 94 HB1 ALA 16 1HB ALA 16 4.710 5.125 9.365 95 HB2 ALA 16 2HB ALA 16 5.704 4.837 7.917 96 HB3 ALA 16 3HB ALA 16 4.158 5.703 7.785 97 H THR 17 H THR 17 4.890 1.485 6.876 98 HA THR 17 HA THR 17 4.009 2.243 4.138 99 HB THR 17 HB THR 17 5.861 -0.020 4.914 100 HG1 THR 17 1HG THR 17 6.775 1.963 5.425 101 HG21 THR 17 1HG2 THR 17 4.859 -0.293 2.666 102 HG22 THR 17 2HG2 THR 17 6.584 0.087 2.552 103 HG23 THR 17 3HG2 THR 17 5.389 1.348 2.228 104 H VAL 18 H VAL 18 2.427 1.208 3.109 105 HA VAL 18 HA VAL 18 1.124 -1.131 4.436 106 HB VAL 18 HB VAL 18 -0.866 -0.689 3.235 107 HG11 VAL 18 1HG1 VAL 18 -1.525 1.466 4.151 108 HG12 VAL 18 2HG1 VAL 18 -0.456 0.643 5.304 109 HG13 VAL 18 3HG1 VAL 18 0.160 1.975 4.304 110 HG21 VAL 18 1HG2 VAL 18 -1.206 1.237 1.760 111 HG22 VAL 18 2HG2 VAL 18 0.513 1.645 1.881 112 HG23 VAL 18 3HG2 VAL 18 -0.001 0.145 1.074 113 H TYR 19 H TYR 19 0.628 -2.942 3.264 114 HA TYR 19 HA TYR 19 2.183 -3.528 0.784 115 HB2 TYR 19 1HB TYR 19 2.628 -5.137 2.488 116 HB3 TYR 19 2HB TYR 19 0.951 -5.195 2.998 117 HD1 TYR 19 1HD TYR 19 -0.723 -6.521 1.839 118 HD2 TYR 19 2HD TYR 19 3.352 -6.371 0.424 119 HE1 TYR 19 1HE TYR 19 -1.148 -8.502 0.387 120 HE2 TYR 19 2HE TYR 19 2.934 -8.376 -0.985 121 HH TYR 19 HH TYR 19 1.415 -9.953 -1.655 122 H VAL 20 H VAL 20 1.109 -4.067 -1.059 123 HA VAL 20 HA VAL 20 -1.877 -4.194 -1.086 124 HB VAL 20 HB VAL 20 -0.195 -2.769 -3.189 125 HG11 VAL 20 1HG1 VAL 20 -3.207 -2.960 -2.735 126 HG12 VAL 20 2HG1 VAL 20 -2.408 -2.018 -4.007 127 HG13 VAL 20 3HG1 VAL 20 -2.306 -3.786 -4.012 128 HG21 VAL 20 1HG2 VAL 20 -0.155 -1.386 -1.172 129 HG22 VAL 20 2HG2 VAL 20 -1.205 -0.674 -2.393 130 HG23 VAL 20 3HG2 VAL 20 -1.917 -1.533 -1.007 131 H GLY 21 H GLY 21 -2.277 -6.270 -1.615 132 HA2 GLY 21 1HA GLY 21 -0.545 -7.683 -3.620 133 HA3 GLY 21 2HA GLY 21 -1.532 -8.458 -2.393 134 H GLY 22 H GLY 22 -1.410 -8.557 -5.445 135 HA2 GLY 22 1HA GLY 22 -3.141 -9.612 -6.712 136 HA3 GLY 22 2HA GLY 22 -4.377 -8.739 -5.805 137 H LEU 23 H LEU 23 -1.466 -7.384 -7.373 138 HA LEU 23 HA LEU 23 -3.003 -5.195 -8.528 139 HB2 LEU 23 1HB LEU 23 -0.061 -5.973 -8.717 140 HB3 LEU 23 2HB LEU 23 -0.748 -4.467 -9.319 141 HG LEU 23 HG LEU 23 -0.595 -5.339 -6.399 142 HD11 LEU 23 1HD1 LEU 23 1.542 -4.660 -7.429 143 HD12 LEU 23 2HD1 LEU 23 0.990 -3.495 -6.206 144 HD13 LEU 23 3HD1 LEU 23 0.815 -3.121 -7.932 145 HD21 LEU 23 1HD2 LEU 23 -1.294 -2.901 -6.019 146 HD22 LEU 23 2HD2 LEU 23 -2.560 -4.021 -6.540 147 HD23 LEU 23 3HD2 LEU 23 -1.844 -2.893 -7.703 148 H ASP 24 H ASP 24 -3.067 -4.644 -10.728 149 HA ASP 24 HA ASP 24 -3.065 -6.951 -12.569 150 HB2 ASP 24 1HB ASP 24 -5.102 -5.569 -12.411 151 HB3 ASP 24 2HB ASP 24 -4.180 -4.132 -12.855 152 H GLU 25 H GLU 25 -2.117 -6.701 -14.777 153 HA GLU 25 HA GLU 25 0.594 -5.860 -14.712 154 HB2 GLU 25 1HB GLU 25 0.662 -6.433 -17.043 155 HB3 GLU 25 2HB GLU 25 -0.273 -7.635 -16.159 156 HG2 GLU 25 1HG GLU 25 -2.386 -6.562 -16.969 157 HG3 GLU 25 2HG GLU 25 -1.430 -5.385 -17.870 158 H LYS 26 H LYS 26 -2.251 -3.937 -15.460 159 HA LYS 26 HA LYS 26 -0.836 -1.769 -16.795 160 HB2 LYS 26 1HB LYS 26 -3.573 -2.036 -15.552 161 HB3 LYS 26 2HB LYS 26 -2.984 -0.545 -16.305 162 HG2 LYS 26 1HG LYS 26 -2.633 -1.657 -18.440 163 HG3 LYS 26 2HG LYS 26 -3.018 -3.235 -17.745 164 HD2 LYS 26 1HD LYS 26 -4.883 -2.401 -19.021 165 HD3 LYS 26 2HD LYS 26 -5.305 -2.549 -17.303 166 HE2 LYS 26 1HE LYS 26 -5.051 -0.136 -16.985 167 HE3 LYS 26 2HE LYS 26 -4.471 0.060 -18.646 168 HZ1 LYS 26 1HZ LYS 26 -7.197 -0.873 -17.908 169 HZ2 LYS 26 2HZ LYS 26 -6.653 -0.665 -19.434 170 HZ3 LYS 26 3HZ LYS 26 -6.831 0.624 -18.453 171 H VAL 27 H VAL 27 -0.961 -2.680 -13.473 172 HA VAL 27 HA VAL 27 -0.895 -0.011 -12.319 173 HB VAL 27 HB VAL 27 -0.215 -2.704 -11.081 174 HG11 VAL 27 1HG1 VAL 27 -0.706 -0.008 -9.750 175 HG12 VAL 27 2HG1 VAL 27 -0.605 -1.567 -8.928 176 HG13 VAL 27 3HG1 VAL 27 0.808 -0.930 -9.743 177 HG21 VAL 27 1HG2 VAL 27 -2.476 -2.481 -10.044 178 HG22 VAL 27 2HG2 VAL 27 -2.754 -1.006 -10.987 179 HG23 VAL 27 3HG2 VAL 27 -2.574 -2.571 -11.804 180 H SER 28 H SER 28 0.781 1.208 -11.602 181 HA SER 28 HA SER 28 3.568 0.192 -11.759 182 HB2 SER 28 1HB SER 28 4.321 2.221 -12.840 183 HB3 SER 28 2HB SER 28 3.068 1.469 -13.838 184 HG SER 28 HG SER 28 2.664 3.687 -13.651 185 H GLU 29 H GLU 29 5.107 1.545 -10.471 186 HA GLU 29 HA GLU 29 4.097 2.125 -7.886 187 HB2 GLU 29 1HB GLU 29 6.697 2.680 -9.336 188 HB3 GLU 29 2HB GLU 29 6.434 3.431 -7.776 189 HG2 GLU 29 1HG GLU 29 6.662 1.503 -6.618 190 HG3 GLU 29 2HG GLU 29 5.768 0.562 -7.789 191 HA PRO 30 HA PRO 30 4.036 6.849 -9.047 192 HB2 PRO 30 1HB PRO 30 3.429 6.538 -11.992 193 HB3 PRO 30 2HB PRO 30 4.230 7.898 -11.141 194 HG2 PRO 30 1HG PRO 30 5.727 6.099 -12.485 195 HG3 PRO 30 2HG PRO 30 6.238 6.614 -10.842 196 HD2 PRO 30 1HD PRO 30 4.730 4.113 -11.643 197 HD3 PRO 30 2HD PRO 30 6.145 4.287 -10.567 198 H LEU 31 H LEU 31 1.989 4.337 -10.605 199 HA LEU 31 HA LEU 31 -0.464 5.892 -10.444 200 HB2 LEU 31 1HB LEU 31 -0.241 3.908 -11.953 201 HB3 LEU 31 2HB LEU 31 -0.066 2.877 -10.539 202 HG LEU 31 HG LEU 31 -2.397 3.716 -9.762 203 HD11 LEU 31 1HD1 LEU 31 -2.548 5.671 -11.262 204 HD12 LEU 31 2HD1 LEU 31 -3.851 4.514 -11.580 205 HD13 LEU 31 3HD1 LEU 31 -2.452 4.592 -12.678 206 HD21 LEU 31 1HD2 LEU 31 -2.034 1.496 -10.614 207 HD22 LEU 31 2HD2 LEU 31 -2.023 2.092 -12.297 208 HD23 LEU 31 3HD2 LEU 31 -3.514 2.143 -11.333 209 H LEU 32 H LEU 32 0.970 3.259 -8.439 210 HA LEU 32 HA LEU 32 -1.003 3.276 -6.407 211 HB2 LEU 32 1HB LEU 32 1.991 2.760 -6.064 212 HB3 LEU 32 2HB LEU 32 0.719 2.345 -4.917 213 HG LEU 32 HG LEU 32 1.209 1.129 -7.639 214 HD11 LEU 32 1HD1 LEU 32 2.575 0.304 -5.731 215 HD12 LEU 32 2HD1 LEU 32 1.452 -0.931 -6.336 216 HD13 LEU 32 3HD1 LEU 32 1.075 -0.057 -4.833 217 HD21 LEU 32 1HD2 LEU 32 -0.736 -0.396 -6.996 218 HD22 LEU 32 2HD2 LEU 32 -1.192 1.254 -7.457 219 HD23 LEU 32 3HD2 LEU 32 -1.146 0.780 -5.736 220 H TRP 33 H TRP 33 1.932 5.291 -6.652 221 HA TRP 33 HA TRP 33 1.693 6.621 -4.175 222 HB2 TRP 33 1HB TRP 33 3.584 6.642 -5.880 223 HB3 TRP 33 2HB TRP 33 2.690 7.831 -6.793 224 HD1 TRP 33 HD TRP 33 1.867 9.735 -4.265 225 HE1 TRP 33 1HE TRP 33 3.699 11.120 -3.109 226 HE3 TRP 33 3HE TRP 33 5.929 7.118 -5.849 227 HZ2 TRP 33 2HZ TRP 33 6.591 11.132 -2.965 228 HZ3 TRP 33 3HZ TRP 33 8.242 7.838 -5.213 229 HH2 TRP 33 HH TRP 33 8.572 9.842 -3.774 230 H GLU 34 H GLU 34 0.632 7.925 -7.347 231 HA GLU 34 HA GLU 34 -0.822 10.110 -6.218 232 HB2 GLU 34 1HB GLU 34 -1.023 8.760 -8.946 233 HB3 GLU 34 2HB GLU 34 -1.843 10.270 -8.512 234 HG2 GLU 34 1HG GLU 34 0.412 11.208 -7.858 235 HG3 GLU 34 2HG GLU 34 1.166 9.799 -8.594 236 H LEU 35 H LEU 35 -1.915 6.833 -6.925 237 HA LEU 35 HA LEU 35 -4.734 7.366 -6.583 238 HB2 LEU 35 1HB LEU 35 -3.539 5.349 -7.737 239 HB3 LEU 35 2HB LEU 35 -3.356 4.715 -6.094 240 HG LEU 35 HG LEU 35 -5.932 5.046 -5.960 241 HD11 LEU 35 1HD1 LEU 35 -5.587 4.982 -8.975 242 HD12 LEU 35 2HD1 LEU 35 -6.208 6.354 -8.027 243 HD13 LEU 35 3HD1 LEU 35 -7.122 4.839 -8.090 244 HD21 LEU 35 1HD2 LEU 35 -4.832 2.864 -5.966 245 HD22 LEU 35 2HD2 LEU 35 -4.734 2.907 -7.744 246 HD23 LEU 35 3HD2 LEU 35 -6.315 2.827 -6.923 247 H PHE 36 H PHE 36 -2.133 6.462 -4.301 248 HA PHE 36 HA PHE 36 -4.033 6.064 -2.081 249 HB2 PHE 36 1HB PHE 36 -1.098 5.582 -2.511 250 HB3 PHE 36 2HB PHE 36 -1.717 5.684 -0.911 251 HD1 PHE 36 1HD PHE 36 -2.312 3.693 0.158 252 HD2 PHE 36 2HD PHE 36 -2.631 3.902 -4.128 253 HE1 PHE 36 1HE PHE 36 -3.046 1.326 0.093 254 HE2 PHE 36 2HE PHE 36 -3.297 1.519 -4.199 255 HZ PHE 36 HZ PHE 36 -3.553 0.238 -2.083 256 H LEU 37 H LEU 37 -2.301 8.755 -3.330 257 HA LEU 37 HA LEU 37 -1.998 10.398 -1.060 258 HB2 LEU 37 1HB LEU 37 -2.876 10.952 -3.910 259 HB3 LEU 37 2HB LEU 37 -2.719 12.253 -2.734 260 HG LEU 37 HG LEU 37 -0.456 10.480 -3.687 261 HD11 LEU 37 1HD1 LEU 37 -0.996 13.442 -4.089 262 HD12 LEU 37 2HD1 LEU 37 -1.273 12.187 -5.311 263 HD13 LEU 37 3HD1 LEU 37 0.373 12.510 -4.736 264 HD21 LEU 37 1HD2 LEU 37 -0.469 12.785 -1.710 265 HD22 LEU 37 2HD2 LEU 37 0.994 12.056 -2.427 266 HD23 LEU 37 3HD2 LEU 37 -0.051 11.092 -1.377 267 H GLN 38 H GLN 38 -4.949 9.229 -2.396 268 HA GLN 38 HA GLN 38 -6.835 11.089 -1.289 269 HB2 GLN 38 1HB GLN 38 -7.196 8.096 -1.764 270 HB3 GLN 38 2HB GLN 38 -8.477 9.309 -1.608 271 HG2 GLN 38 1HG GLN 38 -7.588 10.448 -3.670 272 HG3 GLN 38 2HG GLN 38 -6.389 9.144 -3.793 273 HE21 GLN 38 1HE2 GLN 38 -7.048 7.068 -4.499 274 HE22 GLN 38 2HE2 GLN 38 -8.662 6.791 -5.177 275 H ALA 39 H ALA 39 -5.111 8.326 0.132 276 HA ALA 39 HA ALA 39 -6.712 8.312 2.575 277 HB1 ALA 39 1HB ALA 39 -5.623 6.268 1.665 278 HB2 ALA 39 2HB ALA 39 -4.038 7.006 1.933 279 HB3 ALA 39 3HB ALA 39 -5.078 6.647 3.318 280 H GLY 40 H GLY 40 -3.445 9.451 1.655 281 HA2 GLY 40 1HA GLY 40 -3.392 11.711 3.380 282 HA3 GLY 40 2HA GLY 40 -2.592 10.360 4.191 283 HA PRO 41 HA PRO 41 0.420 12.629 1.386 284 HB2 PRO 41 1HB PRO 41 2.388 13.123 3.238 285 HB3 PRO 41 2HB PRO 41 0.970 14.182 2.977 286 HG2 PRO 41 1HG PRO 41 1.295 12.007 5.067 287 HG3 PRO 41 2HG PRO 41 0.760 13.698 5.313 288 HD2 PRO 41 1HD PRO 41 -0.994 11.637 5.073 289 HD3 PRO 41 2HD PRO 41 -1.371 13.213 4.318 290 H VAL 42 H VAL 42 1.115 11.046 0.125 291 HA VAL 42 HA VAL 42 2.604 8.702 1.116 292 HB VAL 42 HB VAL 42 1.886 9.522 -1.715 293 HG11 VAL 42 1HG1 VAL 42 3.158 6.976 -0.610 294 HG12 VAL 42 2HG1 VAL 42 2.516 7.155 -2.254 295 HG13 VAL 42 3HG1 VAL 42 3.896 8.118 -1.752 296 HG21 VAL 42 1HG2 VAL 42 0.705 7.369 0.086 297 HG22 VAL 42 2HG2 VAL 42 -0.104 8.877 -0.388 298 HG23 VAL 42 3HG2 VAL 42 0.276 7.666 -1.612 299 H VAL 43 H VAL 43 4.686 8.479 1.105 300 HA VAL 43 HA VAL 43 6.439 10.781 0.388 301 HB VAL 43 HB VAL 43 7.077 8.449 2.229 302 HG11 VAL 43 1HG1 VAL 43 8.592 10.085 3.304 303 HG12 VAL 43 2HG1 VAL 43 9.001 9.857 1.596 304 HG13 VAL 43 3HG1 VAL 43 8.115 11.313 2.117 305 HG21 VAL 43 1HG2 VAL 43 6.430 9.876 4.135 306 HG22 VAL 43 2HG2 VAL 43 5.741 11.073 3.009 307 HG23 VAL 43 3HG2 VAL 43 5.049 9.438 3.136 308 H ASN 44 H ASN 44 6.035 7.307 -0.101 309 HA ASN 44 HA ASN 44 7.922 7.169 -2.328 310 HB2 ASN 44 1HB ASN 44 9.513 7.130 -0.515 311 HB3 ASN 44 2HB ASN 44 8.512 6.058 0.434 312 HD21 ASN 44 1HD2 ASN 44 9.585 4.202 0.686 313 HD22 ASN 44 2HD2 ASN 44 10.393 3.323 -0.626 314 H THR 45 H THR 45 7.996 4.929 -3.235 315 HA THR 45 HA THR 45 5.818 3.059 -2.497 316 HB THR 45 HB THR 45 5.388 2.773 -5.035 317 HG1 THR 45 1HG THR 45 7.069 4.242 -5.661 318 HG21 THR 45 1HG2 THR 45 4.312 5.312 -3.787 319 HG22 THR 45 2HG2 THR 45 3.727 3.666 -3.435 320 HG23 THR 45 3HG2 THR 45 3.590 4.303 -5.073 321 H HIS 46 H HIS 46 6.114 0.905 -3.296 322 HA HIS 46 HA HIS 46 8.636 0.300 -4.747 323 HB2 HIS 46 1HB HIS 46 9.076 0.163 -2.231 324 HB3 HIS 46 2HB HIS 46 7.854 -1.079 -2.153 325 HD2 HIS 46 2HD HIS 46 9.660 -2.852 -1.280 326 HE1 HIS 46 1HE HIS 46 11.803 -3.262 -4.946 327 HE2 HIS 46 2HE HIS 46 11.473 -4.227 -2.612 328 H MET 47 H MET 47 8.318 -1.284 -6.255 329 HA MET 47 HA MET 47 6.232 -3.370 -5.772 330 HB2 MET 47 1HB MET 47 6.473 -1.714 -8.294 331 HB3 MET 47 2HB MET 47 5.759 -3.325 -8.268 332 HG2 MET 47 1HG MET 47 4.056 -2.678 -6.734 333 HG3 MET 47 2HG MET 47 4.797 -1.105 -6.441 334 HE1 MET 47 1HE MET 47 2.564 -2.336 -10.281 335 HE2 MET 47 2HE MET 47 4.272 -2.764 -10.063 336 HE3 MET 47 3HE MET 47 3.046 -3.415 -8.945 337 HA PRO 48 HA PRO 48 10.238 -5.366 -6.473 338 HB2 PRO 48 1HB PRO 48 8.465 -7.723 -5.774 339 HB3 PRO 48 2HB PRO 48 10.176 -7.426 -5.316 340 HG2 PRO 48 1HG PRO 48 8.243 -6.848 -3.544 341 HG3 PRO 48 2HG PRO 48 9.530 -5.643 -3.831 342 HD2 PRO 48 1HD PRO 48 6.728 -5.701 -4.993 343 HD3 PRO 48 2HD PRO 48 7.621 -4.322 -4.273 344 H LYS 49 H LYS 49 11.097 -6.047 -8.311 345 HA LYS 49 HA LYS 49 9.335 -6.846 -10.562 346 HB2 LYS 49 1HB LYS 49 12.238 -5.965 -10.656 347 HB3 LYS 49 2HB LYS 49 11.157 -6.205 -12.023 348 HG2 LYS 49 1HG LYS 49 10.991 -4.028 -9.911 349 HG3 LYS 49 2HG LYS 49 11.439 -3.847 -11.607 350 HD2 LYS 49 1HD LYS 49 9.117 -4.594 -12.254 351 HD3 LYS 49 2HD LYS 49 8.675 -4.583 -10.543 352 HE2 LYS 49 1HE LYS 49 9.558 -2.194 -12.224 353 HE3 LYS 49 2HE LYS 49 7.934 -2.532 -11.620 354 HZ1 LYS 49 1HZ LYS 49 8.838 -0.987 -10.102 355 HZ2 LYS 49 2HZ LYS 49 10.295 -1.737 -10.026 356 HZ3 LYS 49 3HZ LYS 49 8.984 -2.417 -9.325 357 H ASP 50 H ASP 50 9.683 -8.539 -11.864 358 HA ASP 50 HA ASP 50 10.701 -10.937 -10.634 359 HB2 ASP 50 1HB ASP 50 8.627 -10.753 -12.018 360 HB3 ASP 50 2HB ASP 50 9.628 -10.431 -13.435 361 H ARG 51 H ARG 51 12.439 -12.242 -11.171 362 HA ARG 51 HA ARG 51 14.694 -10.889 -12.441 363 HB2 ARG 51 1HB ARG 51 16.066 -12.600 -11.513 364 HB3 ARG 51 2HB ARG 51 14.916 -12.059 -10.294 365 HG2 ARG 51 1HG ARG 51 13.517 -14.096 -10.742 366 HG3 ARG 51 2HG ARG 51 14.719 -14.629 -11.934 367 HD2 ARG 51 1HD ARG 51 16.456 -14.672 -10.179 368 HD3 ARG 51 2HD ARG 51 15.277 -14.164 -8.973 369 HE ARG 51 HE ARG 51 15.526 -16.813 -10.273 370 HH11 ARG 51 1HH1 ARG 51 13.552 -14.879 -8.111 371 HH12 ARG 51 2HH1 ARG 51 12.712 -16.276 -7.494 372 HH21 ARG 51 1HH2 ARG 51 14.418 -18.537 -9.439 373 HH22 ARG 51 2HH2 ARG 51 13.194 -18.287 -8.228 374 H VAL 52 H VAL 52 12.331 -12.421 -14.028 375 HA VAL 52 HA VAL 52 14.157 -13.537 -16.124 376 HB VAL 52 HB VAL 52 11.499 -14.779 -15.310 377 HG11 VAL 52 1HG1 VAL 52 12.284 -16.673 -16.699 378 HG12 VAL 52 2HG1 VAL 52 12.126 -15.201 -17.653 379 HG13 VAL 52 3HG1 VAL 52 13.738 -15.750 -17.139 380 HG21 VAL 52 1HG2 VAL 52 12.866 -16.680 -14.427 381 HG22 VAL 52 2HG2 VAL 52 14.324 -15.677 -14.599 382 HG23 VAL 52 3HG2 VAL 52 13.022 -15.210 -13.473 383 H THR 53 H THR 53 10.945 -12.113 -15.354 384 HA THR 53 HA THR 53 10.591 -11.438 -18.232 385 HB THR 53 HB THR 53 8.253 -11.163 -17.790 386 HG1 THR 53 1HG THR 53 7.458 -11.598 -15.674 387 HG21 THR 53 1HG2 THR 53 9.107 -13.713 -16.356 388 HG22 THR 53 2HG2 THR 53 9.057 -13.514 -18.123 389 HG23 THR 53 3HG2 THR 53 7.564 -13.395 -17.175 390 H GLY 54 H GLY 54 11.349 -10.052 -15.198 391 HA2 GLY 54 1HA GLY 54 11.917 -7.937 -14.606 392 HA3 GLY 54 2HA GLY 54 11.727 -7.479 -16.297 393 H GLN 55 H GLN 55 8.802 -8.776 -15.301 394 HA GLN 55 HA GLN 55 7.503 -6.140 -15.031 395 HB2 GLN 55 1HB GLN 55 6.229 -8.898 -14.946 396 HB3 GLN 55 2HB GLN 55 5.438 -7.352 -15.246 397 HG2 GLN 55 1HG GLN 55 7.305 -8.884 -17.091 398 HG3 GLN 55 2HG GLN 55 5.609 -8.521 -17.339 399 HE21 GLN 55 1HE2 GLN 55 8.746 -7.549 -18.182 400 HE22 GLN 55 2HE2 GLN 55 8.331 -5.932 -18.752 401 H HIS 56 H HIS 56 5.728 -5.955 -13.228 402 HA HIS 56 HA HIS 56 6.951 -6.542 -10.641 403 HB2 HIS 56 1HB HIS 56 5.168 -5.439 -9.624 404 HB3 HIS 56 2HB HIS 56 5.554 -4.516 -11.067 405 HD2 HIS 56 2HD HIS 56 3.509 -3.963 -12.635 406 HE1 HIS 56 1HE HIS 56 0.607 -6.546 -10.888 407 HE2 HIS 56 2HE HIS 56 0.960 -4.665 -12.538 408 H GLN 57 H GLN 57 6.244 -7.971 -9.035 409 HA GLN 57 HA GLN 57 5.212 -10.485 -10.154 410 HB2 GLN 57 1HB GLN 57 6.593 -9.822 -7.541 411 HB3 GLN 57 2HB GLN 57 6.003 -11.438 -7.967 412 HG2 GLN 57 1HG GLN 57 7.362 -11.356 -10.070 413 HG3 GLN 57 2HG GLN 57 8.104 -9.858 -9.499 414 HE21 GLN 57 1HE2 GLN 57 9.150 -12.793 -9.978 415 HE22 GLN 57 2HE2 GLN 57 9.965 -13.119 -8.449 416 H GLY 58 H GLY 58 3.235 -8.313 -9.681 417 HA2 GLY 58 1HA GLY 58 0.951 -8.501 -9.372 418 HA3 GLY 58 2HA GLY 58 1.163 -10.035 -8.535 419 H TYR 59 H TYR 59 3.173 -7.730 -7.067 420 HA TYR 59 HA TYR 59 1.105 -6.588 -5.316 421 HB2 TYR 59 1HB TYR 59 2.059 -7.359 -3.276 422 HB3 TYR 59 2HB TYR 59 1.676 -8.748 -4.268 423 HD1 TYR 59 1HD TYR 59 4.306 -6.918 -2.523 424 HD2 TYR 59 2HD TYR 59 3.535 -10.011 -5.432 425 HE1 TYR 59 1HE TYR 59 6.607 -7.814 -2.199 426 HE2 TYR 59 2HE TYR 59 5.861 -10.846 -5.168 427 HH TYR 59 HH TYR 59 7.863 -10.596 -4.074 428 H GLY 60 H GLY 60 1.865 -4.944 -3.905 429 HA2 GLY 60 1HA GLY 60 4.464 -3.639 -4.466 430 HA3 GLY 60 2HA GLY 60 2.983 -2.777 -4.895 431 H PHE 61 H PHE 61 4.337 -1.389 -3.327 432 HA PHE 61 HA PHE 61 2.993 -1.464 -0.700 433 HB2 PHE 61 1HB PHE 61 5.968 -0.981 -1.085 434 HB3 PHE 61 2HB PHE 61 5.106 -0.913 0.426 435 HD1 PHE 61 1HD PHE 61 4.510 -2.921 1.660 436 HD2 PHE 61 2HD PHE 61 6.515 -3.163 -2.145 437 HE1 PHE 61 1HE PHE 61 5.147 -5.279 2.145 438 HE2 PHE 61 2HE PHE 61 7.135 -5.519 -1.671 439 HZ PHE 61 HZ PHE 61 6.450 -6.582 0.473 440 H VAL 62 H VAL 62 2.817 0.544 0.325 441 HA VAL 62 HA VAL 62 3.725 2.988 -1.136 442 HB VAL 62 HB VAL 62 0.924 2.725 0.021 443 HG11 VAL 62 1HG1 VAL 62 0.560 4.847 -1.143 444 HG12 VAL 62 2HG1 VAL 62 1.853 5.004 0.032 445 HG13 VAL 62 3HG1 VAL 62 2.244 4.851 -1.702 446 HG21 VAL 62 1HG2 VAL 62 1.817 2.562 -2.878 447 HG22 VAL 62 2HG2 VAL 62 0.953 1.318 -1.951 448 HG23 VAL 62 3HG2 VAL 62 0.142 2.832 -2.350 449 H GLU 63 H GLU 63 4.744 4.377 0.181 450 HA GLU 63 HA GLU 63 4.669 3.880 3.122 451 HB2 GLU 63 1HB GLU 63 6.805 3.622 1.920 452 HB3 GLU 63 2HB GLU 63 6.701 5.327 1.427 453 HG2 GLU 63 1HG GLU 63 6.944 6.104 3.667 454 HG3 GLU 63 2HG GLU 63 6.651 4.502 4.345 455 H PHE 64 H PHE 64 3.565 5.217 4.362 456 HA PHE 64 HA PHE 64 2.843 7.932 3.401 457 HB2 PHE 64 1HB PHE 64 1.760 6.140 5.598 458 HB3 PHE 64 2HB PHE 64 1.302 7.822 5.411 459 HD1 PHE 64 1HD PHE 64 1.015 4.457 3.901 460 HD2 PHE 64 2HD PHE 64 0.025 8.634 3.520 461 HE1 PHE 64 1HE PHE 64 -0.701 3.896 2.190 462 HE2 PHE 64 2HE PHE 64 -1.686 8.066 1.801 463 HZ PHE 64 HZ PHE 64 -2.078 5.719 1.174 464 H LEU 65 H LEU 65 2.909 9.718 4.853 465 HA LEU 65 HA LEU 65 5.391 10.087 6.168 466 HB2 LEU 65 1HB LEU 65 3.719 11.810 5.187 467 HB3 LEU 65 2HB LEU 65 2.846 11.640 6.716 468 HG LEU 65 HG LEU 65 5.055 12.291 7.876 469 HD11 LEU 65 1HD1 LEU 65 6.626 13.623 6.496 470 HD12 LEU 65 2HD1 LEU 65 5.721 13.179 5.032 471 HD13 LEU 65 3HD1 LEU 65 6.591 11.938 5.962 472 HD21 LEU 65 1HD2 LEU 65 4.675 14.700 7.461 473 HD22 LEU 65 2HD2 LEU 65 3.142 13.834 7.641 474 HD23 LEU 65 3HD2 LEU 65 3.706 14.307 6.022 475 H SER 66 H SER 66 2.265 9.044 7.474 476 HA SER 66 HA SER 66 3.536 8.326 10.076 477 HB2 SER 66 1HB SER 66 0.893 9.799 9.991 478 HB3 SER 66 2HB SER 66 1.891 9.403 11.389 479 HG SER 66 HG SER 66 2.058 11.616 10.792 480 H GLU 67 H GLU 67 2.486 6.894 11.322 481 HA GLU 67 HA GLU 67 1.439 4.652 10.012 482 HB2 GLU 67 1HB GLU 67 1.130 5.397 12.946 483 HB3 GLU 67 2HB GLU 67 1.066 3.790 12.223 484 HG2 GLU 67 1HG GLU 67 3.202 3.654 12.901 485 HG3 GLU 67 2HG GLU 67 3.520 4.465 11.370 486 H GLU 68 H GLU 68 -0.381 7.297 11.565 487 HA GLU 68 HA GLU 68 -2.942 5.949 11.436 488 HB2 GLU 68 1HB GLU 68 -3.889 8.104 12.037 489 HB3 GLU 68 2HB GLU 68 -2.518 7.695 13.064 490 HG2 GLU 68 1HG GLU 68 -1.066 9.228 11.724 491 HG3 GLU 68 2HG GLU 68 -2.456 9.657 10.727 492 H ASP 69 H ASP 69 -1.117 7.807 9.087 493 HA ASP 69 HA ASP 69 -3.370 8.144 7.222 494 HB2 ASP 69 1HB ASP 69 -0.362 8.496 6.932 495 HB3 ASP 69 2HB ASP 69 -1.513 8.820 5.656 496 H ALA 70 H ALA 70 -0.733 5.823 7.794 497 HA ALA 70 HA ALA 70 -1.261 4.187 5.474 498 HB1 ALA 70 1HB ALA 70 0.125 3.566 8.148 499 HB2 ALA 70 2HB ALA 70 0.212 2.571 6.688 500 HB3 ALA 70 3HB ALA 70 0.905 4.202 6.695 501 H ASP 71 H ASP 71 -2.268 3.915 8.940 502 HA ASP 71 HA ASP 71 -3.919 1.634 8.721 503 HB2 ASP 71 1HB ASP 71 -3.210 2.709 10.824 504 HB3 ASP 71 2HB ASP 71 -4.244 4.095 10.473 505 H TYR 72 H TYR 72 -4.693 5.023 7.916 506 HA TYR 72 HA TYR 72 -7.490 4.477 7.360 507 HB2 TYR 72 1HB TYR 72 -6.557 6.706 8.019 508 HB3 TYR 72 2HB TYR 72 -5.776 6.800 6.436 509 HD1 TYR 72 1HD TYR 72 -6.974 7.700 4.627 510 HD2 TYR 72 2HD TYR 72 -9.147 6.314 8.068 511 HE1 TYR 72 1HE TYR 72 -9.093 8.573 3.628 512 HE2 TYR 72 2HE TYR 72 -11.268 7.171 7.080 513 HH TYR 72 HH TYR 72 -12.246 8.244 5.305 514 H ALA 73 H ALA 73 -4.516 4.485 5.347 515 HA ALA 73 HA ALA 73 -5.882 4.197 2.811 516 HB1 ALA 73 1HB ALA 73 -3.085 3.300 3.608 517 HB2 ALA 73 2HB ALA 73 -3.701 3.651 1.976 518 HB3 ALA 73 3HB ALA 73 -3.518 4.958 3.158 519 H ILE 74 H ILE 74 -4.684 1.873 5.242 520 HA ILE 74 HA ILE 74 -5.470 -0.525 3.876 521 HB ILE 74 HB ILE 74 -5.208 0.056 6.855 522 HG12 ILE 74 1HG1 ILE 74 -3.209 -1.345 5.036 523 HG13 ILE 74 2HG1 ILE 74 -3.164 0.392 5.302 524 HG21 ILE 74 1HG2 ILE 74 -5.374 -2.584 5.340 525 HG22 ILE 74 2HG2 ILE 74 -4.899 -2.458 7.042 526 HG23 ILE 74 3HG2 ILE 74 -6.523 -1.992 6.551 527 HD11 ILE 74 1HD1 ILE 74 -2.772 0.108 7.671 528 HD12 ILE 74 2HD1 ILE 74 -2.895 -1.662 7.521 529 HD13 ILE 74 3HD1 ILE 74 -1.583 -0.788 6.719 530 H LYS 75 H LYS 75 -7.326 1.750 5.892 531 HA LYS 75 HA LYS 75 -9.717 0.139 6.025 532 HB2 LYS 75 1HB LYS 75 -9.172 1.940 7.608 533 HB3 LYS 75 2HB LYS 75 -9.379 3.152 6.339 534 HG2 LYS 75 1HG LYS 75 -11.729 2.570 6.067 535 HG3 LYS 75 2HG LYS 75 -11.572 1.253 7.231 536 HD2 LYS 75 1HD LYS 75 -11.171 4.218 7.848 537 HD3 LYS 75 2HD LYS 75 -12.656 3.304 8.151 538 HE2 LYS 75 1HE LYS 75 -11.382 1.766 9.661 539 HE3 LYS 75 2HE LYS 75 -9.935 2.753 9.422 540 HZ1 LYS 75 1HZ LYS 75 -11.104 3.387 11.446 541 HZ2 LYS 75 2HZ LYS 75 -12.475 3.717 10.627 542 HZ3 LYS 75 3HZ LYS 75 -11.142 4.637 10.400 543 H ILE 76 H ILE 76 -8.758 2.756 3.736 544 HA ILE 76 HA ILE 76 -11.303 2.397 2.326 545 HB ILE 76 HB ILE 76 -10.682 4.277 0.975 546 HG12 ILE 76 1HG1 ILE 76 -8.109 4.535 2.560 547 HG13 ILE 76 2HG1 ILE 76 -8.218 3.965 0.908 548 HG21 ILE 76 1HG2 ILE 76 -10.209 4.848 3.939 549 HG22 ILE 76 2HG2 ILE 76 -10.923 5.938 2.738 550 HG23 ILE 76 3HG2 ILE 76 -11.800 4.489 3.230 551 HD11 ILE 76 1HD1 ILE 76 -7.648 6.252 0.755 552 HD12 ILE 76 2HD1 ILE 76 -9.357 6.164 0.319 553 HD13 ILE 76 3HD1 ILE 76 -8.877 6.722 1.944 554 H MET 77 H MET 77 -7.926 1.508 1.555 555 HA MET 77 HA MET 77 -8.725 0.908 -1.221 556 HB2 MET 77 1HB MET 77 -6.078 1.093 0.148 557 HB3 MET 77 2HB MET 77 -6.224 0.468 -1.487 558 HG2 MET 77 1HG MET 77 -7.475 3.120 -0.815 559 HG3 MET 77 2HG MET 77 -5.753 3.019 -1.079 560 HE1 MET 77 1HE MET 77 -7.135 4.691 -4.249 561 HE2 MET 77 2HE MET 77 -6.854 4.947 -2.521 562 HE3 MET 77 3HE MET 77 -5.513 4.410 -3.573 563 H ASP 78 H ASP 78 -9.113 -0.856 1.389 564 HA ASP 78 HA ASP 78 -8.072 -3.397 0.303 565 HB2 ASP 78 1HB ASP 78 -7.821 -2.945 2.713 566 HB3 ASP 78 2HB ASP 78 -9.579 -2.913 2.899 567 H MET 79 H MET 79 -9.237 -5.017 -0.565 568 HA MET 79 HA MET 79 -10.743 -5.945 -1.875 569 HB2 MET 79 1HB MET 79 -12.949 -4.903 -0.080 570 HB3 MET 79 2HB MET 79 -12.984 -6.287 -1.176 571 HG2 MET 79 1HG MET 79 -10.939 -7.133 0.242 572 HG3 MET 79 2HG MET 79 -11.510 -5.974 1.440 573 HE1 MET 79 1HE MET 79 -11.794 -9.354 -0.224 574 HE2 MET 79 2HE MET 79 -13.449 -9.926 0.098 575 HE3 MET 79 3HE MET 79 -13.169 -8.606 -1.060 576 H ILE 80 H ILE 80 -10.086 -2.986 -2.276 577 HA ILE 80 HA ILE 80 -12.164 -2.086 -4.140 578 HB ILE 80 HB ILE 80 -9.551 -1.088 -3.095 579 HG12 ILE 80 1HG1 ILE 80 -12.315 0.046 -3.610 580 HG13 ILE 80 2HG1 ILE 80 -11.531 -0.299 -2.069 581 HG21 ILE 80 1HG2 ILE 80 -9.158 0.569 -4.737 582 HG22 ILE 80 2HG2 ILE 80 -9.024 -1.010 -5.466 583 HG23 ILE 80 3HG2 ILE 80 -10.497 -0.036 -5.762 584 HD11 ILE 80 1HD1 ILE 80 -9.869 1.577 -2.662 585 HD12 ILE 80 2HD1 ILE 80 -10.952 1.975 -4.004 586 HD13 ILE 80 3HD1 ILE 80 -11.542 2.073 -2.340 587 H LYS 81 H LYS 81 -11.884 -1.963 -6.429 588 HA LYS 81 HA LYS 81 -10.293 -4.235 -7.547 589 HB2 LYS 81 1HB LYS 81 -12.975 -3.086 -8.354 590 HB3 LYS 81 2HB LYS 81 -12.096 -4.348 -9.236 591 HG2 LYS 81 1HG LYS 81 -12.140 -5.752 -7.114 592 HG3 LYS 81 2HG LYS 81 -13.189 -4.528 -6.395 593 HD2 LYS 81 1HD LYS 81 -14.645 -6.220 -7.154 594 HD3 LYS 81 2HD LYS 81 -14.789 -4.919 -8.346 595 HE2 LYS 81 1HE LYS 81 -13.115 -6.155 -9.788 596 HE3 LYS 81 2HE LYS 81 -13.138 -7.472 -8.610 597 HZ1 LYS 81 1HZ LYS 81 -15.506 -6.526 -10.140 598 HZ2 LYS 81 2HZ LYS 81 -15.521 -7.742 -9.051 599 HZ3 LYS 81 3HZ LYS 81 -14.680 -7.900 -10.440 600 H LEU 82 H LEU 82 -8.522 -2.642 -7.631 601 HA LEU 82 HA LEU 82 -8.460 -0.477 -9.495 602 HB2 LEU 82 1HB LEU 82 -6.802 -0.900 -7.687 603 HB3 LEU 82 2HB LEU 82 -6.219 -2.323 -8.549 604 HG LEU 82 HG LEU 82 -5.346 -0.942 -10.359 605 HD11 LEU 82 1HD1 LEU 82 -6.595 1.388 -8.844 606 HD12 LEU 82 2HD1 LEU 82 -6.932 0.887 -10.515 607 HD13 LEU 82 3HD1 LEU 82 -5.367 1.578 -10.109 608 HD21 LEU 82 1HD2 LEU 82 -3.962 -1.281 -8.330 609 HD22 LEU 82 2HD2 LEU 82 -4.631 0.203 -7.621 610 HD23 LEU 82 3HD2 LEU 82 -3.628 0.289 -9.082 611 H TYR 83 H TYR 83 -8.330 -0.433 -11.746 612 HA TYR 83 HA TYR 83 -9.007 -1.292 -13.740 613 HB2 TYR 83 1HB TYR 83 -6.515 -2.965 -13.345 614 HB3 TYR 83 2HB TYR 83 -7.265 -2.581 -14.886 615 HD1 TYR 83 1HD TYR 83 -7.752 0.117 -15.175 616 HD2 TYR 83 2HD TYR 83 -4.590 -1.725 -12.890 617 HE1 TYR 83 1HE TYR 83 -6.360 2.161 -15.454 618 HE2 TYR 83 2HE TYR 83 -3.189 0.307 -13.205 619 HH TYR 83 HH TYR 83 -4.348 3.164 -15.034 620 H GLY 84 H GLY 84 -10.463 -2.780 -11.633 621 HA2 GLY 84 1HA GLY 84 -12.140 -4.350 -11.783 622 HA3 GLY 84 2HA GLY 84 -11.595 -4.791 -13.396 623 H LYS 85 H LYS 85 -9.478 -5.008 -10.569 624 HA LYS 85 HA LYS 85 -9.687 -7.935 -10.350 625 HB2 LYS 85 1HB LYS 85 -7.858 -7.420 -11.943 626 HB3 LYS 85 2HB LYS 85 -7.105 -6.360 -10.743 627 HG2 LYS 85 1HG LYS 85 -6.851 -8.328 -9.207 628 HG3 LYS 85 2HG LYS 85 -7.570 -9.365 -10.453 629 HD2 LYS 85 1HD LYS 85 -5.716 -8.794 -12.002 630 HD3 LYS 85 2HD LYS 85 -5.016 -7.724 -10.767 631 HE2 LYS 85 1HE LYS 85 -4.785 -9.656 -9.225 632 HE3 LYS 85 2HE LYS 85 -5.465 -10.726 -10.457 633 HZ1 LYS 85 1HZ LYS 85 -3.562 -10.177 -11.884 634 HZ2 LYS 85 2HZ LYS 85 -3.037 -10.798 -10.471 635 HZ3 LYS 85 3HZ LYS 85 -2.932 -9.186 -10.738 636 HA PRO 86 HA PRO 86 -10.012 -6.088 -6.296 637 HB2 PRO 86 1HB PRO 86 -10.349 -8.339 -4.735 638 HB3 PRO 86 2HB PRO 86 -11.614 -7.591 -5.755 639 HG2 PRO 86 1HG PRO 86 -9.825 -9.938 -6.416 640 HG3 PRO 86 2HG PRO 86 -11.592 -9.776 -6.677 641 HD2 PRO 86 1HD PRO 86 -9.801 -9.360 -8.672 642 HD3 PRO 86 2HD PRO 86 -11.258 -8.316 -8.547 643 H ILE 87 H ILE 87 -8.492 -5.205 -5.132 644 HA ILE 87 HA ILE 87 -5.944 -6.617 -4.578 645 HB ILE 87 HB ILE 87 -5.071 -4.417 -3.894 646 HG12 ILE 87 1HG1 ILE 87 -7.436 -3.106 -5.263 647 HG13 ILE 87 2HG1 ILE 87 -7.426 -3.356 -3.514 648 HG21 ILE 87 1HG2 ILE 87 -4.802 -3.587 -6.224 649 HG22 ILE 87 2HG2 ILE 87 -4.637 -5.343 -6.102 650 HG23 ILE 87 3HG2 ILE 87 -6.133 -4.635 -6.746 651 HD11 ILE 87 1HD1 ILE 87 -5.357 -2.022 -3.321 652 HD12 ILE 87 2HD1 ILE 87 -5.376 -1.732 -5.077 653 HD13 ILE 87 3HD1 ILE 87 -6.681 -1.105 -4.058 654 H ARG 88 H ARG 88 -5.118 -6.875 -2.559 655 HA ARG 88 HA ARG 88 -6.901 -6.273 -0.230 656 HB2 ARG 88 1HB ARG 88 -4.881 -8.531 -0.459 657 HB3 ARG 88 2HB ARG 88 -5.815 -8.123 0.975 658 HG2 ARG 88 1HG ARG 88 -6.848 -9.255 -1.645 659 HG3 ARG 88 2HG ARG 88 -6.833 -10.024 -0.062 660 HD2 ARG 88 1HD ARG 88 -8.580 -7.717 -0.986 661 HD3 ARG 88 2HD ARG 88 -9.097 -9.344 -0.607 662 HE ARG 88 HE ARG 88 -8.396 -7.167 1.291 663 HH11 ARG 88 1HH1 ARG 88 -9.182 -10.587 1.128 664 HH12 ARG 88 2HH1 ARG 88 -9.812 -10.589 2.754 665 HH21 ARG 88 1HH2 ARG 88 -9.321 -7.200 3.231 666 HH22 ARG 88 2HH2 ARG 88 -9.836 -8.715 3.946 667 H VAL 89 H VAL 89 -6.115 -5.190 1.461 668 HA VAL 89 HA VAL 89 -3.306 -4.186 1.274 669 HB VAL 89 HB VAL 89 -5.734 -2.455 1.842 670 HG11 VAL 89 1HG1 VAL 89 -4.180 -0.576 1.615 671 HG12 VAL 89 2HG1 VAL 89 -3.649 -1.638 2.915 672 HG13 VAL 89 3HG1 VAL 89 -2.822 -1.692 1.350 673 HG21 VAL 89 1HG2 VAL 89 -5.152 -1.399 -0.369 674 HG22 VAL 89 2HG2 VAL 89 -3.982 -2.704 -0.639 675 HG23 VAL 89 3HG2 VAL 89 -5.718 -3.061 -0.541 676 H ASN 90 H ASN 90 -2.197 -3.906 3.117 677 HA ASN 90 HA ASN 90 -3.347 -3.769 5.778 678 HB2 ASN 90 1HB ASN 90 -3.472 -6.280 5.057 679 HB3 ASN 90 2HB ASN 90 -1.719 -6.258 5.143 680 HD21 ASN 90 1HD2 ASN 90 -2.783 -8.090 6.695 681 HD22 ASN 90 2HD2 ASN 90 -2.882 -7.563 8.368 682 H LYS 91 H LYS 91 -1.291 -4.107 7.398 683 HA LYS 91 HA LYS 91 0.695 -2.111 6.744 684 HB2 LYS 91 1HB LYS 91 0.790 -4.280 8.889 685 HB3 LYS 91 2HB LYS 91 1.748 -2.810 8.865 686 HG2 LYS 91 1HG LYS 91 -1.297 -2.820 9.045 687 HG3 LYS 91 2HG LYS 91 -0.266 -2.893 10.444 688 HD2 LYS 91 1HD LYS 91 -0.076 -0.647 8.395 689 HD3 LYS 91 2HD LYS 91 -1.173 -0.596 9.765 690 HE2 LYS 91 1HE LYS 91 1.876 -0.808 9.895 691 HE3 LYS 91 2HE LYS 91 0.928 0.659 10.139 692 HZ1 LYS 91 1HZ LYS 91 1.472 -0.261 12.265 693 HZ2 LYS 91 2HZ LYS 91 0.901 -1.741 11.890 694 HZ3 LYS 91 3HZ LYS 91 -0.134 -0.473 12.066 695 H ALA 92 H ALA 92 2.867 -2.292 6.137 696 HA ALA 92 HA ALA 92 3.743 -4.733 4.798 697 HB1 ALA 92 1HB ALA 92 5.256 -2.183 5.463 698 HB2 ALA 92 2HB ALA 92 5.744 -3.426 4.292 699 HB3 ALA 92 3HB ALA 92 4.290 -2.455 3.995 700 H SER 93 H SER 93 3.574 -4.047 8.026 701 HA SER 93 HA SER 93 5.879 -5.747 8.841 702 HB2 SER 93 1HB SER 93 5.329 -4.766 11.124 703 HB3 SER 93 2HB SER 93 5.942 -3.621 9.936 704 HG SER 93 HG SER 93 4.064 -2.662 9.805 705 H ALA 94 H ALA 94 2.754 -6.309 8.024 706 HA ALA 94 HA ALA 94 1.501 -7.305 10.320 707 HB1 ALA 94 1HB ALA 94 0.360 -6.460 8.326 708 HB2 ALA 94 2HB ALA 94 0.920 -7.871 7.397 709 HB3 ALA 94 3HB ALA 94 -0.213 -8.075 8.751 710 H HIS 95 H HIS 95 4.131 -8.748 9.782 711 HA HIS 95 HA HIS 95 3.396 -11.499 9.080 712 HB2 HIS 95 1HB HIS 95 6.096 -10.352 9.860 713 HB3 HIS 95 2HB HIS 95 5.784 -11.854 8.990 714 HD2 HIS 95 2HD HIS 95 4.250 -11.302 6.522 715 HE1 HIS 95 1HE HIS 95 6.423 -7.696 5.841 716 HE2 HIS 95 2HE HIS 95 4.904 -9.439 4.775 717 H ASN 96 H ASN 96 3.475 -9.851 12.074 718 HA ASN 96 HA ASN 96 4.457 -12.130 13.660 719 HB2 ASN 96 1HB ASN 96 4.962 -9.879 14.411 720 HB3 ASN 96 2HB ASN 96 3.252 -9.447 14.436 721 HD21 ASN 96 1HD2 ASN 96 2.071 -9.855 16.293 722 HD22 ASN 96 2HD2 ASN 96 2.703 -10.800 17.636 723 H LYS 97 H LYS 97 3.245 -13.787 14.374 724 HA LYS 97 HA LYS 97 0.404 -13.943 13.766 725 HB2 LYS 97 1HB LYS 97 0.504 -16.190 14.648 726 HB3 LYS 97 2HB LYS 97 1.849 -15.895 13.548 727 HG2 LYS 97 1HG LYS 97 3.366 -15.565 15.515 728 HG3 LYS 97 2HG LYS 97 2.005 -15.905 16.601 729 HD2 LYS 97 1HD LYS 97 1.770 -18.163 15.603 730 HD3 LYS 97 2HD LYS 97 3.132 -17.824 14.514 731 HE2 LYS 97 1HE LYS 97 4.614 -17.479 16.483 732 HE3 LYS 97 2HE LYS 97 3.258 -17.821 17.565 733 HZ1 LYS 97 1HZ LYS 97 3.150 -20.063 16.609 734 HZ2 LYS 97 2HZ LYS 97 4.636 -19.790 17.222 735 HZ3 LYS 97 3HZ LYS 97 4.403 -19.746 15.609 736 H ASN 98 H ASN 98 -1.326 -14.251 15.173 737 HA ASN 98 HA ASN 98 -1.017 -13.419 18.001 738 HB2 ASN 98 1HB ASN 98 -2.690 -11.679 17.812 739 HB3 ASN 98 2HB ASN 98 -1.394 -11.346 16.676 740 HD21 ASN 98 1HD2 ASN 98 -4.817 -12.309 16.981 741 HD22 ASN 98 2HD2 ASN 98 -5.168 -12.029 15.283 742 H LEU 99 H LEU 99 -2.861 -13.803 19.325 743 HA LEU 99 HA LEU 99 -4.510 -16.140 18.574 744 HB2 LEU 99 1HB LEU 99 -4.381 -14.491 21.132 745 HB3 LEU 99 2HB LEU 99 -5.310 -15.969 20.915 746 HG LEU 99 HG LEU 99 -2.268 -15.768 20.830 747 HD11 LEU 99 1HD1 LEU 99 -3.239 -15.469 23.078 748 HD12 LEU 99 2HD1 LEU 99 -2.375 -17.010 22.944 749 HD13 LEU 99 3HD1 LEU 99 -4.153 -16.984 22.892 750 HD21 LEU 99 1HD2 LEU 99 -4.097 -18.206 20.654 751 HD22 LEU 99 2HD2 LEU 99 -2.333 -18.255 20.873 752 HD23 LEU 99 3HD2 LEU 99 -3.009 -17.604 19.379 753 H SER 100 H SER 100 -6.864 -16.087 18.952 754 HA SER 100 HA SER 100 -8.158 -13.829 17.648 755 HB2 SER 100 1HB SER 100 -10.211 -15.190 17.999 756 HB3 SER 100 2HB SER 100 -8.907 -16.066 17.178 757 HG SER 100 HG SER 100 -9.886 -17.312 18.856 758 H GLY 101 H GLY 101 -7.603 -14.719 20.985 759 HA2 GLY 101 1HA GLY 101 -8.253 -12.222 22.072 760 HA3 GLY 101 2HA GLY 101 -9.705 -13.215 22.235 761 HA PRO 102 HA PRO 102 -6.760 -14.130 25.821 762 HB2 PRO 102 1HB PRO 102 -8.066 -12.910 27.875 763 HB3 PRO 102 2HB PRO 102 -6.972 -12.018 26.773 764 HG2 PRO 102 1HG PRO 102 -10.000 -12.237 26.608 765 HG3 PRO 102 2HG PRO 102 -8.997 -10.749 26.562 766 HD2 PRO 102 1HD PRO 102 -9.881 -11.972 24.288 767 HD3 PRO 102 2HD PRO 102 -8.273 -11.192 24.363 768 H SER 103 H SER 103 -7.287 -15.428 27.774 769 HA SER 103 HA SER 103 -9.957 -16.663 27.942 770 HB2 SER 103 1HB SER 103 -9.190 -18.930 27.761 771 HB3 SER 103 2HB SER 103 -8.721 -18.071 26.293 772 HG SER 103 HG SER 103 -6.612 -17.949 27.054 773 H SER 104 H SER 104 -10.051 -18.255 29.811 774 HA SER 104 HA SER 104 -8.911 -17.028 32.207 775 HB2 SER 104 1HB SER 104 -10.420 -18.623 33.371 776 HB3 SER 104 2HB SER 104 -11.244 -17.598 32.187 777 HG SER 104 HG SER 104 -11.870 -19.815 32.026 778 H GLY 105 H GLY 105 -7.590 -19.261 30.157 779 HA2 GLY 105 1HA GLY 105 -6.657 -21.383 31.849 780 HA3 GLY 105 2HA GLY 105 -5.985 -20.914 30.289 Start of MODEL 20 1 H1 GLY 1 1H GLY 1 -4.895 12.559 1.085 2 H2 GLY 1 2H GLY 1 -6.279 13.429 0.929 3 H3 GLY 1 3H GLY 1 -5.377 13.564 2.295 4 HA2 GLY 1 1HA GLY 1 -4.481 14.365 -0.397 5 HA3 GLY 1 2HA GLY 1 -5.073 15.489 0.844 6 H SER 2 H SER 2 -2.585 15.873 -0.234 7 HA SER 2 HA SER 2 -0.455 14.739 1.357 8 HB2 SER 2 1HB SER 2 -0.503 17.265 -0.334 9 HB3 SER 2 2HB SER 2 0.943 16.436 0.275 10 HG SER 2 HG SER 2 0.432 15.854 -1.896 11 H SER 3 H SER 3 0.973 15.900 2.804 12 HA SER 3 HA SER 3 -0.413 17.387 4.881 13 HB2 SER 3 1HB SER 3 1.853 17.274 5.957 14 HB3 SER 3 2HB SER 3 1.210 15.697 5.471 15 HG SER 3 HG SER 3 3.513 16.442 4.862 16 H GLY 4 H GLY 4 1.566 18.311 2.159 17 HA2 GLY 4 1HA GLY 4 2.206 20.444 1.429 18 HA3 GLY 4 2HA GLY 4 1.638 21.159 2.939 19 H SER 5 H SER 5 3.689 18.431 3.487 20 HA SER 5 HA SER 5 5.830 19.902 4.655 21 HB2 SER 5 1HB SER 5 5.786 17.038 3.627 22 HB3 SER 5 2HB SER 5 7.029 17.745 4.678 23 HG SER 5 HG SER 5 5.564 16.723 5.993 24 H SER 6 H SER 6 8.076 20.019 4.031 25 HA SER 6 HA SER 6 8.406 21.159 1.440 26 HB2 SER 6 1HB SER 6 10.776 21.422 2.152 27 HB3 SER 6 2HB SER 6 9.600 22.006 3.343 28 HG SER 6 HG SER 6 11.264 20.732 4.306 29 H GLY 7 H GLY 7 9.025 17.871 2.518 30 HA2 GLY 7 1HA GLY 7 9.116 16.807 -0.065 31 HA3 GLY 7 2HA GLY 7 10.800 17.045 0.407 32 HA PRO 8 HA PRO 8 9.178 12.874 1.926 33 HB2 PRO 8 1HB PRO 8 11.577 11.980 0.325 34 HB3 PRO 8 2HB PRO 8 9.997 11.165 0.531 35 HG2 PRO 8 1HG PRO 8 10.527 12.506 -1.751 36 HG3 PRO 8 2HG PRO 8 8.926 12.706 -0.960 37 HD2 PRO 8 1HD PRO 8 11.353 14.526 -0.771 38 HD3 PRO 8 2HD PRO 8 9.646 14.951 -1.106 39 H ILE 9 H ILE 9 10.071 11.631 3.610 40 HA ILE 9 HA ILE 9 12.434 12.733 4.984 41 HB ILE 9 HB ILE 9 11.867 11.265 6.812 42 HG12 ILE 9 1HG1 ILE 9 9.236 10.707 5.376 43 HG13 ILE 9 2HG1 ILE 9 10.582 9.554 5.393 44 HG21 ILE 9 1HG2 ILE 9 10.005 12.669 7.567 45 HG22 ILE 9 2HG2 ILE 9 11.142 13.640 6.635 46 HG23 ILE 9 3HG2 ILE 9 9.618 13.114 5.893 47 HD11 ILE 9 1HD1 ILE 9 9.114 10.619 7.819 48 HD12 ILE 9 2HD1 ILE 9 9.064 8.973 7.150 49 HD13 ILE 9 3HD1 ILE 9 10.571 9.598 7.868 50 H SER 10 H SER 10 14.335 11.746 5.379 51 HA SER 10 HA SER 10 15.251 9.884 3.418 52 HB2 SER 10 1HB SER 10 16.652 10.835 5.943 53 HB3 SER 10 2HB SER 10 17.415 10.114 4.513 54 HG SER 10 HG SER 10 17.521 12.414 4.490 55 H GLU 11 H GLU 11 14.210 9.379 6.747 56 HA GLU 11 HA GLU 11 15.225 6.604 6.809 57 HB2 GLU 11 1HB GLU 11 14.388 6.504 9.060 58 HB3 GLU 11 2HB GLU 11 15.409 7.922 8.829 59 HG2 GLU 11 1HG GLU 11 13.301 9.315 8.581 60 HG3 GLU 11 2HG GLU 11 12.365 7.880 9.008 61 H ARG 12 H ARG 12 13.957 4.758 6.820 62 HA ARG 12 HA ARG 12 11.402 5.054 5.330 63 HB2 ARG 12 1HB ARG 12 13.233 2.658 5.671 64 HB3 ARG 12 2HB ARG 12 11.792 2.690 4.666 65 HG2 ARG 12 1HG ARG 12 14.127 4.592 4.162 66 HG3 ARG 12 2HG ARG 12 14.120 2.946 3.564 67 HD2 ARG 12 1HD ARG 12 13.394 4.505 1.823 68 HD3 ARG 12 2HD ARG 12 12.155 3.321 2.222 69 HE ARG 12 HE ARG 12 10.757 4.960 3.028 70 HH11 ARG 12 1HH1 ARG 12 13.853 6.585 2.435 71 HH12 ARG 12 2HH1 ARG 12 13.145 8.127 2.898 72 HH21 ARG 12 1HH2 ARG 12 10.172 6.851 3.841 73 HH22 ARG 12 2HH2 ARG 12 11.199 8.272 3.644 74 H ASN 13 H ASN 13 9.522 4.716 6.176 75 HA ASN 13 HA ASN 13 9.366 3.610 8.946 76 HB2 ASN 13 1HB ASN 13 7.575 5.475 7.342 77 HB3 ASN 13 2HB ASN 13 7.156 4.828 8.927 78 HD21 ASN 13 1HD2 ASN 13 7.094 7.456 8.849 79 HD22 ASN 13 2HD2 ASN 13 8.507 8.118 9.650 80 H GLN 14 H GLN 14 9.373 1.334 8.395 81 HA GLN 14 HA GLN 14 7.491 0.125 6.649 82 HB2 GLN 14 1HB GLN 14 9.554 -0.924 7.617 83 HB3 GLN 14 2HB GLN 14 8.692 -1.109 9.154 84 HG2 GLN 14 1HG GLN 14 6.981 -2.524 7.989 85 HG3 GLN 14 2HG GLN 14 7.860 -2.329 6.476 86 HE21 GLN 14 1HE2 GLN 14 7.366 -4.916 7.332 87 HE22 GLN 14 2HE2 GLN 14 8.876 -5.608 7.913 88 H ASP 15 H ASP 15 7.112 1.070 10.071 89 HA ASP 15 HA ASP 15 4.494 -0.135 10.395 90 HB2 ASP 15 1HB ASP 15 5.970 2.013 11.958 91 HB3 ASP 15 2HB ASP 15 4.410 1.344 12.436 92 H ALA 16 H ALA 16 5.445 2.648 8.663 93 HA ALA 16 HA ALA 16 2.601 3.517 8.463 94 HB1 ALA 16 1HB ALA 16 4.114 5.277 9.357 95 HB2 ALA 16 2HB ALA 16 5.073 5.168 7.858 96 HB3 ALA 16 3HB ALA 16 3.385 5.699 7.795 97 H THR 17 H THR 17 4.454 1.353 7.075 98 HA THR 17 HA THR 17 3.773 2.077 4.268 99 HB THR 17 HB THR 17 5.595 -0.136 5.244 100 HG1 THR 17 1HG THR 17 6.392 2.020 5.511 101 HG21 THR 17 1HG2 THR 17 4.627 -0.649 3.017 102 HG22 THR 17 2HG2 THR 17 6.342 -0.232 2.874 103 HG23 THR 17 3HG2 THR 17 5.114 0.956 2.430 104 H VAL 18 H VAL 18 2.200 1.072 3.230 105 HA VAL 18 HA VAL 18 0.821 -1.220 4.558 106 HB VAL 18 HB VAL 18 -1.109 -0.804 3.238 107 HG11 VAL 18 1HG1 VAL 18 -0.814 0.519 5.332 108 HG12 VAL 18 2HG1 VAL 18 -0.150 1.858 4.367 109 HG13 VAL 18 3HG1 VAL 18 -1.824 1.343 4.128 110 HG21 VAL 18 1HG2 VAL 18 -1.374 1.139 1.764 111 HG22 VAL 18 2HG2 VAL 18 0.336 1.545 1.971 112 HG23 VAL 18 3HG2 VAL 18 -0.137 0.049 1.129 113 H TYR 19 H TYR 19 0.431 -3.082 3.444 114 HA TYR 19 HA TYR 19 2.050 -3.649 0.992 115 HB2 TYR 19 1HB TYR 19 2.519 -5.231 2.706 116 HB3 TYR 19 2HB TYR 19 0.841 -5.334 3.196 117 HD1 TYR 19 1HD TYR 19 -0.820 -6.624 1.906 118 HD2 TYR 19 2HD TYR 19 3.347 -6.565 0.808 119 HE1 TYR 19 1HE TYR 19 -1.179 -8.606 0.437 120 HE2 TYR 19 2HE TYR 19 2.997 -8.571 -0.625 121 HH TYR 19 HH TYR 19 1.495 -10.111 -1.415 122 H VAL 20 H VAL 20 1.011 -4.243 -0.866 123 HA VAL 20 HA VAL 20 -1.977 -4.338 -0.929 124 HB VAL 20 HB VAL 20 -0.270 -2.923 -3.015 125 HG11 VAL 20 1HG1 VAL 20 -2.474 -2.141 -3.826 126 HG12 VAL 20 2HG1 VAL 20 -2.403 -3.913 -3.828 127 HG13 VAL 20 3HG1 VAL 20 -3.284 -3.066 -2.549 128 HG21 VAL 20 1HG2 VAL 20 -0.216 -1.551 -0.984 129 HG22 VAL 20 2HG2 VAL 20 -1.248 -0.817 -2.207 130 HG23 VAL 20 3HG2 VAL 20 -1.982 -1.672 -0.831 131 H GLY 21 H GLY 21 -2.347 -6.430 -1.399 132 HA2 GLY 21 1HA GLY 21 -0.652 -7.854 -3.419 133 HA3 GLY 21 2HA GLY 21 -1.673 -8.614 -2.212 134 H GLY 22 H GLY 22 -1.512 -8.683 -5.264 135 HA2 GLY 22 1HA GLY 22 -3.253 -9.698 -6.557 136 HA3 GLY 22 2HA GLY 22 -4.478 -8.796 -5.665 137 H LEU 23 H LEU 23 -1.512 -7.504 -7.169 138 HA LEU 23 HA LEU 23 -2.991 -5.284 -8.353 139 HB2 LEU 23 1HB LEU 23 -0.053 -6.087 -8.466 140 HB3 LEU 23 2HB LEU 23 -0.714 -4.575 -9.079 141 HG LEU 23 HG LEU 23 -0.636 -5.462 -6.162 142 HD11 LEU 23 1HD1 LEU 23 0.815 -3.237 -7.644 143 HD12 LEU 23 2HD1 LEU 23 1.523 -4.784 -7.139 144 HD13 LEU 23 3HD1 LEU 23 0.949 -3.630 -5.918 145 HD21 LEU 23 1HD2 LEU 23 -1.329 -3.009 -5.798 146 HD22 LEU 23 2HD2 LEU 23 -2.585 -4.143 -6.314 147 HD23 LEU 23 3HD2 LEU 23 -1.873 -3.023 -7.485 148 H ASP 24 H ASP 24 -3.236 -4.818 -10.506 149 HA ASP 24 HA ASP 24 -3.132 -7.094 -12.345 150 HB2 ASP 24 1HB ASP 24 -5.127 -5.608 -12.239 151 HB3 ASP 24 2HB ASP 24 -4.130 -4.242 -12.754 152 H GLU 25 H GLU 25 -2.139 -6.920 -14.527 153 HA GLU 25 HA GLU 25 0.581 -6.121 -14.459 154 HB2 GLU 25 1HB GLU 25 0.635 -6.718 -16.802 155 HB3 GLU 25 2HB GLU 25 -0.277 -7.907 -15.875 156 HG2 GLU 25 1HG GLU 25 -2.410 -6.892 -16.673 157 HG3 GLU 25 2HG GLU 25 -1.495 -5.699 -17.596 158 H LYS 26 H LYS 26 -2.211 -4.150 -15.259 159 HA LYS 26 HA LYS 26 -0.650 -2.034 -16.563 160 HB2 LYS 26 1HB LYS 26 -3.503 -2.153 -15.516 161 HB3 LYS 26 2HB LYS 26 -2.811 -0.773 -16.382 162 HG2 LYS 26 1HG LYS 26 -2.293 -2.238 -18.322 163 HG3 LYS 26 2HG LYS 26 -3.061 -3.602 -17.511 164 HD2 LYS 26 1HD LYS 26 -4.417 -1.000 -18.321 165 HD3 LYS 26 2HD LYS 26 -4.527 -2.527 -19.192 166 HE2 LYS 26 1HE LYS 26 -5.568 -1.992 -16.376 167 HE3 LYS 26 2HE LYS 26 -6.540 -2.064 -17.848 168 HZ1 LYS 26 1HZ LYS 26 -6.679 -4.178 -16.776 169 HZ2 LYS 26 2HZ LYS 26 -5.068 -4.309 -16.579 170 HZ3 LYS 26 3HZ LYS 26 -5.732 -4.418 -18.085 171 H VAL 27 H VAL 27 -0.947 -2.900 -13.287 172 HA VAL 27 HA VAL 27 -0.782 -0.206 -12.144 173 HB VAL 27 HB VAL 27 -0.269 -2.927 -10.878 174 HG11 VAL 27 1HG1 VAL 27 0.826 -1.218 -9.535 175 HG12 VAL 27 2HG1 VAL 27 -0.622 -0.196 -9.583 176 HG13 VAL 27 3HG1 VAL 27 -0.640 -1.745 -8.739 177 HG21 VAL 27 1HG2 VAL 27 -2.730 -1.122 -10.812 178 HG22 VAL 27 2HG2 VAL 27 -2.609 -2.697 -11.623 179 HG23 VAL 27 3HG2 VAL 27 -2.519 -2.607 -9.865 180 H SER 28 H SER 28 0.986 0.892 -11.406 181 HA SER 28 HA SER 28 3.597 -0.458 -11.235 182 HB2 SER 28 1HB SER 28 3.398 0.596 -13.560 183 HB3 SER 28 2HB SER 28 3.431 2.171 -12.735 184 HG SER 28 HG SER 28 5.528 1.351 -13.407 185 H GLU 29 H GLU 29 5.232 1.008 -10.147 186 HA GLU 29 HA GLU 29 4.282 1.800 -7.628 187 HB2 GLU 29 1HB GLU 29 6.828 2.238 -9.204 188 HB3 GLU 29 2HB GLU 29 6.644 3.122 -7.703 189 HG2 GLU 29 1HG GLU 29 6.809 1.298 -6.366 190 HG3 GLU 29 2HG GLU 29 5.953 0.255 -7.469 191 HA PRO 30 HA PRO 30 4.271 6.433 -8.759 192 HB2 PRO 30 1HB PRO 30 3.903 7.291 -11.319 193 HB3 PRO 30 2HB PRO 30 5.507 6.973 -10.591 194 HG2 PRO 30 1HG PRO 30 3.863 5.114 -12.319 195 HG3 PRO 30 2HG PRO 30 5.593 5.563 -12.507 196 HD2 PRO 30 1HD PRO 30 4.850 3.291 -11.285 197 HD3 PRO 30 2HD PRO 30 6.227 4.226 -10.661 198 H LEU 31 H LEU 31 2.242 4.083 -10.453 199 HA LEU 31 HA LEU 31 -0.193 5.699 -10.413 200 HB2 LEU 31 1HB LEU 31 0.015 3.658 -11.870 201 HB3 LEU 31 2HB LEU 31 0.121 2.667 -10.419 202 HG LEU 31 HG LEU 31 -2.197 3.625 -9.724 203 HD11 LEU 31 1HD1 LEU 31 -2.233 5.492 -11.335 204 HD12 LEU 31 2HD1 LEU 31 -3.573 4.368 -11.621 205 HD13 LEU 31 3HD1 LEU 31 -2.143 4.326 -12.682 206 HD21 LEU 31 1HD2 LEU 31 -1.853 1.859 -12.169 207 HD22 LEU 31 2HD2 LEU 31 -3.343 2.010 -11.213 208 HD23 LEU 31 3HD2 LEU 31 -1.889 1.347 -10.458 209 H LEU 32 H LEU 32 1.145 3.065 -8.349 210 HA LEU 32 HA LEU 32 -0.855 3.152 -6.360 211 HB2 LEU 32 1HB LEU 32 2.127 2.583 -5.968 212 HB3 LEU 32 2HB LEU 32 0.842 2.224 -4.820 213 HG LEU 32 HG LEU 32 1.327 0.917 -7.503 214 HD11 LEU 32 1HD1 LEU 32 1.158 -0.164 -4.653 215 HD12 LEU 32 2HD1 LEU 32 2.669 0.134 -5.555 216 HD13 LEU 32 3HD1 LEU 32 1.527 -1.101 -6.119 217 HD21 LEU 32 1HD2 LEU 32 -1.071 1.094 -7.331 218 HD22 LEU 32 2HD2 LEU 32 -1.037 0.671 -5.597 219 HD23 LEU 32 3HD2 LEU 32 -0.642 -0.551 -6.817 220 H TRP 33 H TRP 33 2.134 5.088 -6.563 221 HA TRP 33 HA TRP 33 1.888 6.443 -4.106 222 HB2 TRP 33 1HB TRP 33 3.807 6.386 -5.771 223 HB3 TRP 33 2HB TRP 33 2.976 7.600 -6.710 224 HD1 TRP 33 HD TRP 33 2.175 9.593 -4.284 225 HE1 TRP 33 1HE TRP 33 4.027 10.906 -3.070 226 HE3 TRP 33 3HE TRP 33 6.146 6.701 -5.582 227 HZ2 TRP 33 2HZ TRP 33 6.905 10.754 -2.776 228 HZ3 TRP 33 3HZ TRP 33 8.467 7.304 -4.850 229 HH2 TRP 33 HH TRP 33 8.844 9.329 -3.452 230 H GLU 34 H GLU 34 0.949 7.772 -7.297 231 HA GLU 34 HA GLU 34 -0.461 10.010 -6.221 232 HB2 GLU 34 1HB GLU 34 -0.659 8.636 -8.938 233 HB3 GLU 34 2HB GLU 34 -1.433 10.180 -8.536 234 HG2 GLU 34 1HG GLU 34 0.842 11.046 -7.852 235 HG3 GLU 34 2HG GLU 34 1.558 9.602 -8.556 236 H LEU 35 H LEU 35 -1.664 6.768 -6.939 237 HA LEU 35 HA LEU 35 -4.466 7.405 -6.650 238 HB2 LEU 35 1HB LEU 35 -3.332 5.340 -7.764 239 HB3 LEU 35 2HB LEU 35 -3.178 4.716 -6.115 240 HG LEU 35 HG LEU 35 -5.745 5.109 -5.997 241 HD11 LEU 35 1HD1 LEU 35 -6.926 4.916 -8.134 242 HD12 LEU 35 2HD1 LEU 35 -5.384 5.018 -9.011 243 HD13 LEU 35 3HD1 LEU 35 -5.979 6.410 -8.075 244 HD21 LEU 35 1HD2 LEU 35 -4.694 2.905 -5.986 245 HD22 LEU 35 2HD2 LEU 35 -4.586 2.933 -7.764 246 HD23 LEU 35 3HD2 LEU 35 -6.172 2.894 -6.952 247 H PHE 36 H PHE 36 -1.941 6.471 -4.308 248 HA PHE 36 HA PHE 36 -3.894 6.141 -2.118 249 HB2 PHE 36 1HB PHE 36 -0.964 5.582 -2.489 250 HB3 PHE 36 2HB PHE 36 -1.617 5.701 -0.903 251 HD1 PHE 36 1HD PHE 36 -2.533 3.927 -4.129 252 HD2 PHE 36 2HD PHE 36 -2.228 3.721 0.158 253 HE1 PHE 36 1HE PHE 36 -3.205 1.548 -4.201 254 HE2 PHE 36 2HE PHE 36 -2.987 1.358 0.090 255 HZ PHE 36 HZ PHE 36 -3.481 0.270 -2.088 256 H LEU 37 H LEU 37 -2.032 8.765 -3.352 257 HA LEU 37 HA LEU 37 -1.730 10.411 -1.087 258 HB2 LEU 37 1HB LEU 37 -2.513 10.990 -3.962 259 HB3 LEU 37 2HB LEU 37 -2.305 12.285 -2.786 260 HG LEU 37 HG LEU 37 -0.131 10.383 -3.695 261 HD11 LEU 37 1HD1 LEU 37 -0.489 13.372 -4.100 262 HD12 LEU 37 2HD1 LEU 37 -0.814 12.135 -5.331 263 HD13 LEU 37 3HD1 LEU 37 0.837 12.364 -4.722 264 HD21 LEU 37 1HD2 LEU 37 -0.050 12.678 -1.709 265 HD22 LEU 37 2HD2 LEU 37 1.383 11.874 -2.402 266 HD23 LEU 37 3HD2 LEU 37 0.266 10.963 -1.378 267 H GLN 38 H GLN 38 -4.693 9.336 -2.462 268 HA GLN 38 HA GLN 38 -6.545 11.272 -1.458 269 HB2 GLN 38 1HB GLN 38 -6.926 8.257 -1.770 270 HB3 GLN 38 2HB GLN 38 -8.207 9.471 -1.622 271 HG2 GLN 38 1HG GLN 38 -7.380 10.543 -3.745 272 HG3 GLN 38 2HG GLN 38 -6.185 9.237 -3.867 273 HE21 GLN 38 1HE2 GLN 38 -6.857 7.154 -4.518 274 HE22 GLN 38 2HE2 GLN 38 -8.496 6.854 -5.121 275 H ALA 39 H ALA 39 -5.031 8.432 0.085 276 HA ALA 39 HA ALA 39 -6.575 8.636 2.545 277 HB1 ALA 39 1HB ALA 39 -5.664 6.494 1.743 278 HB2 ALA 39 2HB ALA 39 -4.017 7.132 1.846 279 HB3 ALA 39 3HB ALA 39 -4.965 6.905 3.325 280 H GLY 40 H GLY 40 -3.209 9.498 1.641 281 HA2 GLY 40 1HA GLY 40 -3.043 11.746 3.447 282 HA3 GLY 40 2HA GLY 40 -2.281 10.316 4.133 283 HA PRO 41 HA PRO 41 0.813 12.575 1.398 284 HB2 PRO 41 1HB PRO 41 2.784 12.921 3.273 285 HB3 PRO 41 2HB PRO 41 1.419 14.051 3.055 286 HG2 PRO 41 1HG PRO 41 1.625 11.770 5.046 287 HG3 PRO 41 2HG PRO 41 1.198 13.471 5.377 288 HD2 PRO 41 1HD PRO 41 -0.677 11.543 5.049 289 HD3 PRO 41 2HD PRO 41 -0.970 13.161 4.352 290 H VAL 42 H VAL 42 1.430 10.936 0.115 291 HA VAL 42 HA VAL 42 2.788 8.534 1.147 292 HB VAL 42 HB VAL 42 2.164 9.350 -1.705 293 HG11 VAL 42 1HG1 VAL 42 3.293 6.759 -0.545 294 HG12 VAL 42 2HG1 VAL 42 2.701 6.953 -2.202 295 HG13 VAL 42 3HG1 VAL 42 4.114 7.854 -1.677 296 HG21 VAL 42 1HG2 VAL 42 0.470 7.571 -1.603 297 HG22 VAL 42 2HG2 VAL 42 0.864 7.272 0.104 298 HG23 VAL 42 3HG2 VAL 42 0.127 8.809 -0.393 299 H VAL 43 H VAL 43 4.837 8.214 1.209 300 HA VAL 43 HA VAL 43 6.749 10.413 0.576 301 HB VAL 43 HB VAL 43 7.073 8.012 2.424 302 HG11 VAL 43 1HG1 VAL 43 8.759 9.357 3.550 303 HG12 VAL 43 2HG1 VAL 43 9.202 9.180 1.851 304 HG13 VAL 43 3HG1 VAL 43 8.483 10.707 2.429 305 HG21 VAL 43 1HG2 VAL 43 5.162 9.304 3.227 306 HG22 VAL 43 2HG2 VAL 43 6.549 9.537 4.289 307 HG23 VAL 43 3HG2 VAL 43 6.096 10.812 3.130 308 H ASN 44 H ASN 44 6.168 6.970 0.045 309 HA ASN 44 HA ASN 44 8.195 6.697 -2.045 310 HB2 ASN 44 1HB ASN 44 9.651 6.597 -0.127 311 HB3 ASN 44 2HB ASN 44 8.533 5.608 0.774 312 HD21 ASN 44 1HD2 ASN 44 9.531 3.724 1.160 313 HD22 ASN 44 2HD2 ASN 44 10.354 2.769 -0.086 314 H THR 45 H THR 45 8.065 4.574 -3.089 315 HA THR 45 HA THR 45 5.897 2.727 -2.276 316 HB THR 45 HB THR 45 5.366 2.383 -4.754 317 HG1 THR 45 1HG THR 45 5.559 4.300 -5.982 318 HG21 THR 45 1HG2 THR 45 4.447 5.026 -3.598 319 HG22 THR 45 2HG2 THR 45 3.798 3.424 -3.167 320 HG23 THR 45 3HG2 THR 45 3.640 4.000 -4.824 321 H HIS 46 H HIS 46 6.139 0.556 -3.097 322 HA HIS 46 HA HIS 46 8.734 -0.112 -4.383 323 HB2 HIS 46 1HB HIS 46 8.994 -0.231 -1.837 324 HB3 HIS 46 2HB HIS 46 7.717 -1.417 -1.833 325 HD2 HIS 46 2HD HIS 46 9.300 -3.310 -0.851 326 HE1 HIS 46 1HE HIS 46 11.739 -3.826 -4.314 327 HE2 HIS 46 2HE HIS 46 11.132 -4.790 -2.033 328 H MET 47 H MET 47 8.390 -1.580 -5.974 329 HA MET 47 HA MET 47 6.312 -3.685 -5.570 330 HB2 MET 47 1HB MET 47 6.562 -1.977 -8.053 331 HB3 MET 47 2HB MET 47 5.861 -3.596 -8.060 332 HG2 MET 47 1HG MET 47 4.163 -2.993 -6.492 333 HG3 MET 47 2HG MET 47 4.884 -1.411 -6.195 334 HE1 MET 47 1HE MET 47 2.602 -2.634 -10.008 335 HE2 MET 47 2HE MET 47 4.309 -3.068 -9.813 336 HE3 MET 47 3HE MET 47 3.094 -3.719 -8.683 337 HA PRO 48 HA PRO 48 10.207 -5.863 -6.433 338 HB2 PRO 48 1HB PRO 48 8.248 -8.070 -5.738 339 HB3 PRO 48 2HB PRO 48 9.995 -7.952 -5.338 340 HG2 PRO 48 1HG PRO 48 8.202 -7.264 -3.462 341 HG3 PRO 48 2HG PRO 48 9.570 -6.157 -3.778 342 HD2 PRO 48 1HD PRO 48 6.731 -5.974 -4.843 343 HD3 PRO 48 2HD PRO 48 7.725 -4.680 -4.092 344 H LYS 49 H LYS 49 10.926 -7.092 -8.179 345 HA LYS 49 HA LYS 49 9.031 -7.307 -10.490 346 HB2 LYS 49 1HB LYS 49 11.931 -6.396 -10.468 347 HB3 LYS 49 2HB LYS 49 10.909 -6.497 -11.896 348 HG2 LYS 49 1HG LYS 49 10.311 -4.677 -9.530 349 HG3 LYS 49 2HG LYS 49 11.265 -4.188 -10.917 350 HD2 LYS 49 1HD LYS 49 9.460 -4.218 -12.398 351 HD3 LYS 49 2HD LYS 49 8.496 -5.293 -11.393 352 HE2 LYS 49 1HE LYS 49 7.619 -2.973 -11.430 353 HE3 LYS 49 2HE LYS 49 7.988 -3.577 -9.815 354 HZ1 LYS 49 1HZ LYS 49 8.785 -1.317 -10.075 355 HZ2 LYS 49 2HZ LYS 49 9.719 -1.727 -11.363 356 HZ3 LYS 49 3HZ LYS 49 10.048 -2.310 -9.860 357 H ASP 50 H ASP 50 9.568 -8.645 -12.207 358 HA ASP 50 HA ASP 50 10.797 -11.229 -11.582 359 HB2 ASP 50 1HB ASP 50 8.713 -11.059 -12.901 360 HB3 ASP 50 2HB ASP 50 9.543 -10.083 -14.110 361 H ARG 51 H ARG 51 12.543 -12.170 -12.764 362 HA ARG 51 HA ARG 51 14.672 -10.215 -13.337 363 HB2 ARG 51 1HB ARG 51 16.222 -11.967 -12.852 364 HB3 ARG 51 2HB ARG 51 14.995 -11.880 -11.590 365 HG2 ARG 51 1HG ARG 51 13.825 -13.849 -12.584 366 HG3 ARG 51 2HG ARG 51 15.026 -13.903 -13.881 367 HD2 ARG 51 1HD ARG 51 15.626 -15.563 -12.268 368 HD3 ARG 51 2HD ARG 51 16.821 -14.278 -12.205 369 HE ARG 51 HE ARG 51 16.158 -13.723 -10.043 370 HH11 ARG 51 1HH1 ARG 51 13.823 -16.040 -11.265 371 HH12 ARG 51 2HH1 ARG 51 13.098 -16.264 -9.697 372 HH21 ARG 51 1HH2 ARG 51 15.182 -14.059 -8.084 373 HH22 ARG 51 2HH2 ARG 51 13.854 -15.172 -7.949 374 H VAL 52 H VAL 52 12.596 -11.646 -15.439 375 HA VAL 52 HA VAL 52 14.624 -11.572 -17.647 376 HB VAL 52 HB VAL 52 13.306 -13.458 -18.733 377 HG11 VAL 52 1HG1 VAL 52 15.618 -13.710 -17.881 378 HG12 VAL 52 2HG1 VAL 52 14.980 -14.159 -16.285 379 HG13 VAL 52 3HG1 VAL 52 14.676 -15.199 -17.692 380 HG21 VAL 52 1HG2 VAL 52 12.467 -14.127 -15.896 381 HG22 VAL 52 2HG2 VAL 52 11.404 -13.543 -17.195 382 HG23 VAL 52 3HG2 VAL 52 12.218 -15.105 -17.360 383 H THR 53 H THR 53 11.257 -11.193 -16.650 384 HA THR 53 HA THR 53 10.618 -10.009 -19.293 385 HB THR 53 HB THR 53 8.267 -10.172 -18.641 386 HG1 THR 53 1HG THR 53 9.290 -11.503 -16.355 387 HG21 THR 53 1HG2 THR 53 8.040 -12.628 -18.695 388 HG22 THR 53 2HG2 THR 53 9.783 -12.801 -18.390 389 HG23 THR 53 3HG2 THR 53 9.221 -12.035 -19.881 390 H GLY 54 H GLY 54 11.235 -9.244 -15.995 391 HA2 GLY 54 1HA GLY 54 11.433 -7.294 -14.878 392 HA3 GLY 54 2HA GLY 54 11.194 -6.443 -16.407 393 H GLN 55 H GLN 55 8.535 -8.467 -15.743 394 HA GLN 55 HA GLN 55 6.711 -6.290 -15.086 395 HB2 GLN 55 1HB GLN 55 6.357 -9.320 -15.130 396 HB3 GLN 55 2HB GLN 55 5.045 -8.165 -14.931 397 HG2 GLN 55 1HG GLN 55 6.834 -8.377 -17.397 398 HG3 GLN 55 2HG GLN 55 5.223 -9.055 -17.243 399 HE21 GLN 55 1HE2 GLN 55 5.706 -7.348 -19.358 400 HE22 GLN 55 2HE2 GLN 55 4.866 -5.832 -19.063 401 H HIS 56 H HIS 56 5.270 -6.363 -13.122 402 HA HIS 56 HA HIS 56 6.888 -6.782 -10.710 403 HB2 HIS 56 1HB HIS 56 5.158 -5.727 -9.491 404 HB3 HIS 56 2HB HIS 56 5.469 -4.797 -10.951 405 HD2 HIS 56 2HD HIS 56 3.366 -4.206 -12.397 406 HE1 HIS 56 1HE HIS 56 0.549 -6.861 -10.621 407 HE2 HIS 56 2HE HIS 56 0.831 -4.935 -12.240 408 H GLN 57 H GLN 57 6.188 -7.962 -8.845 409 HA GLN 57 HA GLN 57 5.530 -10.694 -9.595 410 HB2 GLN 57 1HB GLN 57 6.315 -9.441 -6.945 411 HB3 GLN 57 2HB GLN 57 6.098 -11.177 -7.214 412 HG2 GLN 57 1HG GLN 57 7.886 -11.165 -8.925 413 HG3 GLN 57 2HG GLN 57 8.148 -9.447 -8.647 414 HE21 GLN 57 1HE2 GLN 57 10.451 -10.231 -8.156 415 HE22 GLN 57 2HE2 GLN 57 10.735 -10.808 -6.518 416 H GLY 58 H GLY 58 3.267 -8.493 -9.371 417 HA2 GLY 58 1HA GLY 58 0.971 -8.809 -9.171 418 HA3 GLY 58 2HA GLY 58 1.222 -10.312 -8.288 419 H TYR 59 H TYR 59 3.126 -7.983 -6.799 420 HA TYR 59 HA TYR 59 1.021 -6.801 -5.120 421 HB2 TYR 59 1HB TYR 59 1.921 -7.570 -3.050 422 HB3 TYR 59 2HB TYR 59 1.551 -8.965 -4.041 423 HD1 TYR 59 1HD TYR 59 4.174 -7.090 -2.308 424 HD2 TYR 59 2HD TYR 59 3.413 -10.284 -5.112 425 HE1 TYR 59 1HE TYR 59 6.481 -7.963 -1.955 426 HE2 TYR 59 2HE TYR 59 5.739 -11.112 -4.800 427 HH TYR 59 HH TYR 59 7.764 -10.746 -3.807 428 H GLY 60 H GLY 60 1.797 -5.147 -3.697 429 HA2 GLY 60 1HA GLY 60 4.458 -3.945 -4.194 430 HA3 GLY 60 2HA GLY 60 3.029 -3.028 -4.681 431 H PHE 61 H PHE 61 4.362 -1.662 -3.076 432 HA PHE 61 HA PHE 61 2.895 -1.679 -0.509 433 HB2 PHE 61 1HB PHE 61 5.882 -1.195 -0.740 434 HB3 PHE 61 2HB PHE 61 4.935 -1.135 0.715 435 HD1 PHE 61 1HD PHE 61 6.399 -3.412 -1.827 436 HD2 PHE 61 2HD PHE 61 4.418 -3.105 1.985 437 HE1 PHE 61 1HE PHE 61 7.064 -5.744 -1.300 438 HE2 PHE 61 2HE PHE 61 5.100 -5.438 2.526 439 HZ PHE 61 HZ PHE 61 6.415 -6.762 0.880 440 H VAL 62 H VAL 62 2.707 0.349 0.485 441 HA VAL 62 HA VAL 62 3.722 2.751 -0.971 442 HB VAL 62 HB VAL 62 0.878 2.591 0.095 443 HG11 VAL 62 1HG1 VAL 62 2.323 4.623 -1.646 444 HG12 VAL 62 2HG1 VAL 62 0.622 4.684 -1.156 445 HG13 VAL 62 3HG1 VAL 62 1.874 4.839 0.066 446 HG21 VAL 62 1HG2 VAL 62 0.175 2.643 -2.305 447 HG22 VAL 62 2HG2 VAL 62 1.856 2.289 -2.763 448 HG23 VAL 62 3HG2 VAL 62 0.913 1.117 -1.820 449 H GLU 63 H GLU 63 4.750 4.100 0.360 450 HA GLU 63 HA GLU 63 4.524 3.697 3.305 451 HB2 GLU 63 1HB GLU 63 6.711 3.378 2.236 452 HB3 GLU 63 2HB GLU 63 6.638 5.048 1.637 453 HG2 GLU 63 1HG GLU 63 6.605 5.918 3.923 454 HG3 GLU 63 2HG GLU 63 6.595 4.286 4.587 455 H PHE 64 H PHE 64 3.492 5.115 4.497 456 HA PHE 64 HA PHE 64 2.918 7.844 3.492 457 HB2 PHE 64 1HB PHE 64 1.704 6.150 5.699 458 HB3 PHE 64 2HB PHE 64 1.338 7.849 5.461 459 HD1 PHE 64 1HD PHE 64 0.145 8.670 3.530 460 HD2 PHE 64 2HD PHE 64 0.922 4.463 4.018 461 HE1 PHE 64 1HE PHE 64 -1.534 8.148 1.757 462 HE2 PHE 64 2HE PHE 64 -0.766 3.944 2.267 463 HZ PHE 64 HZ PHE 64 -2.024 5.808 1.172 464 H LEU 65 H LEU 65 3.104 9.639 4.915 465 HA LEU 65 HA LEU 65 5.581 9.844 6.281 466 HB2 LEU 65 1HB LEU 65 4.057 11.669 5.245 467 HB3 LEU 65 2HB LEU 65 3.143 11.584 6.757 468 HG LEU 65 HG LEU 65 5.347 12.115 7.964 469 HD11 LEU 65 1HD1 LEU 65 6.922 11.592 6.125 470 HD12 LEU 65 2HD1 LEU 65 7.057 13.289 6.599 471 HD13 LEU 65 3HD1 LEU 65 6.173 12.854 5.119 472 HD21 LEU 65 1HD2 LEU 65 4.218 14.162 6.000 473 HD22 LEU 65 2HD2 LEU 65 5.159 14.529 7.467 474 HD23 LEU 65 3HD2 LEU 65 3.560 13.784 7.608 475 H SER 66 H SER 66 2.382 8.973 7.522 476 HA SER 66 HA SER 66 3.545 8.361 10.188 477 HB2 SER 66 1HB SER 66 0.972 9.933 9.869 478 HB3 SER 66 2HB SER 66 1.822 9.541 11.363 479 HG SER 66 HG SER 66 3.549 10.876 10.692 480 H GLU 67 H GLU 67 2.280 6.951 11.481 481 HA GLU 67 HA GLU 67 1.273 4.704 10.039 482 HB2 GLU 67 1HB GLU 67 2.448 4.545 12.133 483 HB3 GLU 67 2HB GLU 67 1.201 5.483 12.972 484 HG2 GLU 67 1HG GLU 67 -0.419 3.691 12.702 485 HG3 GLU 67 2HG GLU 67 0.663 2.813 11.620 486 H GLU 68 H GLU 68 -0.474 7.315 11.754 487 HA GLU 68 HA GLU 68 -3.100 6.203 11.456 488 HB2 GLU 68 1HB GLU 68 -3.850 8.569 11.796 489 HB3 GLU 68 2HB GLU 68 -2.829 7.903 13.057 490 HG2 GLU 68 1HG GLU 68 -1.424 9.445 10.897 491 HG3 GLU 68 2HG GLU 68 -2.483 10.360 11.953 492 H ASP 69 H ASP 69 -1.079 7.844 9.111 493 HA ASP 69 HA ASP 69 -3.289 8.285 7.202 494 HB2 ASP 69 1HB ASP 69 -0.273 8.579 6.995 495 HB3 ASP 69 2HB ASP 69 -1.374 8.882 5.668 496 H ALA 70 H ALA 70 -0.830 5.802 7.870 497 HA ALA 70 HA ALA 70 -1.372 4.244 5.475 498 HB1 ALA 70 1HB ALA 70 0.750 4.120 6.760 499 HB2 ALA 70 2HB ALA 70 -0.121 3.459 8.156 500 HB3 ALA 70 3HB ALA 70 -0.034 2.533 6.652 501 H ASP 71 H ASP 71 -2.510 4.108 8.887 502 HA ASP 71 HA ASP 71 -4.301 1.931 8.669 503 HB2 ASP 71 1HB ASP 71 -3.582 3.026 10.765 504 HB3 ASP 71 2HB ASP 71 -4.521 4.459 10.344 505 H TYR 72 H TYR 72 -4.782 5.328 7.696 506 HA TYR 72 HA TYR 72 -7.597 5.003 7.067 507 HB2 TYR 72 1HB TYR 72 -6.374 7.174 7.595 508 HB3 TYR 72 2HB TYR 72 -5.718 7.114 5.964 509 HD1 TYR 72 1HD TYR 72 -8.586 7.930 8.041 510 HD2 TYR 72 2HD TYR 72 -7.380 7.100 3.985 511 HE1 TYR 72 1HE TYR 72 -10.677 8.987 7.201 512 HE2 TYR 72 2HE TYR 72 -9.461 8.181 3.145 513 HH TYR 72 HH TYR 72 -11.916 9.562 5.361 514 H ALA 73 H ALA 73 -4.563 4.625 5.151 515 HA ALA 73 HA ALA 73 -5.933 4.293 2.613 516 HB1 ALA 73 1HB ALA 73 -3.558 4.953 2.845 517 HB2 ALA 73 2HB ALA 73 -3.176 3.358 3.525 518 HB3 ALA 73 3HB ALA 73 -3.762 3.495 1.852 519 H ILE 74 H ILE 74 -4.916 2.042 5.191 520 HA ILE 74 HA ILE 74 -5.800 -0.381 3.926 521 HB ILE 74 HB ILE 74 -5.606 0.368 6.874 522 HG12 ILE 74 1HG1 ILE 74 -3.668 -1.279 5.198 523 HG13 ILE 74 2HG1 ILE 74 -3.493 0.461 5.404 524 HG21 ILE 74 1HG2 ILE 74 -5.938 -2.349 5.527 525 HG22 ILE 74 2HG2 ILE 74 -5.509 -2.135 7.239 526 HG23 ILE 74 3HG2 ILE 74 -7.067 -1.580 6.659 527 HD11 ILE 74 1HD1 ILE 74 -3.423 -1.547 7.679 528 HD12 ILE 74 2HD1 ILE 74 -2.045 -0.748 6.913 529 HD13 ILE 74 3HD1 ILE 74 -3.224 0.219 7.808 530 H LYS 75 H LYS 75 -7.577 2.124 5.726 531 HA LYS 75 HA LYS 75 -10.069 0.673 5.886 532 HB2 LYS 75 1HB LYS 75 -9.489 2.516 7.395 533 HB3 LYS 75 2HB LYS 75 -9.510 3.664 6.053 534 HG2 LYS 75 1HG LYS 75 -11.888 3.304 5.685 535 HG3 LYS 75 2HG LYS 75 -11.907 2.028 6.918 536 HD2 LYS 75 1HD LYS 75 -11.287 3.712 8.654 537 HD3 LYS 75 2HD LYS 75 -11.182 4.956 7.403 538 HE2 LYS 75 1HE LYS 75 -13.276 5.253 8.505 539 HE3 LYS 75 2HE LYS 75 -13.604 4.635 6.884 540 HZ1 LYS 75 1HZ LYS 75 -13.595 2.993 9.369 541 HZ2 LYS 75 2HZ LYS 75 -13.940 2.426 7.873 542 HZ3 LYS 75 3HZ LYS 75 -14.931 3.503 8.588 543 H ILE 76 H ILE 76 -8.853 3.055 3.454 544 HA ILE 76 HA ILE 76 -11.369 2.745 1.972 545 HB ILE 76 HB ILE 76 -10.508 4.457 0.483 546 HG12 ILE 76 1HG1 ILE 76 -8.195 4.958 2.374 547 HG13 ILE 76 2HG1 ILE 76 -7.994 3.956 0.958 548 HG21 ILE 76 1HG2 ILE 76 -10.798 6.282 2.084 549 HG22 ILE 76 2HG2 ILE 76 -11.849 4.942 2.553 550 HG23 ILE 76 3HG2 ILE 76 -10.329 5.231 3.432 551 HD11 ILE 76 1HD1 ILE 76 -8.791 6.872 1.051 552 HD12 ILE 76 2HD1 ILE 76 -7.328 6.152 0.351 553 HD13 ILE 76 3HD1 ILE 76 -8.890 5.881 -0.430 554 H MET 77 H MET 77 -7.978 1.717 1.374 555 HA MET 77 HA MET 77 -8.686 1.003 -1.387 556 HB2 MET 77 1HB MET 77 -6.093 1.060 0.088 557 HB3 MET 77 2HB MET 77 -6.219 0.470 -1.561 558 HG2 MET 77 1HG MET 77 -7.212 3.223 -0.800 559 HG3 MET 77 2HG MET 77 -5.540 2.926 -1.198 560 HE1 MET 77 1HE MET 77 -5.328 4.418 -3.581 561 HE2 MET 77 2HE MET 77 -6.922 4.834 -4.245 562 HE3 MET 77 3HE MET 77 -6.619 5.041 -2.515 563 H ASP 78 H ASP 78 -9.252 -0.658 1.277 564 HA ASP 78 HA ASP 78 -8.191 -3.248 0.353 565 HB2 ASP 78 1HB ASP 78 -8.060 -2.670 2.742 566 HB3 ASP 78 2HB ASP 78 -9.829 -2.629 2.830 567 H MET 79 H MET 79 -9.251 -4.837 -0.590 568 HA MET 79 HA MET 79 -10.655 -5.809 -1.971 569 HB2 MET 79 1HB MET 79 -12.876 -4.977 -0.088 570 HB3 MET 79 2HB MET 79 -12.981 -6.211 -1.341 571 HG2 MET 79 1HG MET 79 -11.232 -6.266 1.133 572 HG3 MET 79 2HG MET 79 -12.631 -7.269 0.801 573 HE1 MET 79 1HE MET 79 -12.685 -9.222 -1.016 574 HE2 MET 79 2HE MET 79 -12.072 -8.168 -2.313 575 HE3 MET 79 3HE MET 79 -11.280 -9.722 -1.982 576 H ILE 80 H ILE 80 -10.119 -2.855 -2.306 577 HA ILE 80 HA ILE 80 -12.190 -1.973 -4.173 578 HB ILE 80 HB ILE 80 -9.553 -0.986 -3.179 579 HG12 ILE 80 1HG1 ILE 80 -12.300 0.180 -3.721 580 HG13 ILE 80 2HG1 ILE 80 -11.527 -0.146 -2.171 581 HG21 ILE 80 1HG2 ILE 80 -9.160 0.628 -4.881 582 HG22 ILE 80 2HG2 ILE 80 -9.037 -0.974 -5.554 583 HG23 ILE 80 3HG2 ILE 80 -10.507 -0.005 -5.874 584 HD11 ILE 80 1HD1 ILE 80 -11.487 2.224 -2.498 585 HD12 ILE 80 2HD1 ILE 80 -9.826 1.683 -2.802 586 HD13 ILE 80 3HD1 ILE 80 -10.895 2.074 -4.157 587 H LYS 81 H LYS 81 -12.006 -1.950 -6.443 588 HA LYS 81 HA LYS 81 -10.395 -4.209 -7.553 589 HB2 LYS 81 1HB LYS 81 -13.053 -3.038 -8.404 590 HB3 LYS 81 2HB LYS 81 -12.173 -4.314 -9.265 591 HG2 LYS 81 1HG LYS 81 -12.249 -5.685 -7.105 592 HG3 LYS 81 2HG LYS 81 -13.336 -4.456 -6.452 593 HD2 LYS 81 1HD LYS 81 -14.763 -6.157 -7.231 594 HD3 LYS 81 2HD LYS 81 -14.845 -4.902 -8.476 595 HE2 LYS 81 1HE LYS 81 -13.074 -6.204 -9.765 596 HE3 LYS 81 2HE LYS 81 -13.206 -7.476 -8.546 597 HZ1 LYS 81 1HZ LYS 81 -15.445 -6.550 -10.270 598 HZ2 LYS 81 2HZ LYS 81 -15.553 -7.728 -9.145 599 HZ3 LYS 81 3HZ LYS 81 -14.621 -7.944 -10.466 600 H LEU 82 H LEU 82 -8.612 -2.641 -7.594 601 HA LEU 82 HA LEU 82 -8.470 -0.491 -9.479 602 HB2 LEU 82 1HB LEU 82 -6.865 -0.921 -7.626 603 HB3 LEU 82 2HB LEU 82 -6.291 -2.368 -8.451 604 HG LEU 82 HG LEU 82 -5.341 -1.036 -10.256 605 HD11 LEU 82 1HD1 LEU 82 -6.890 0.827 -10.467 606 HD12 LEU 82 2HD1 LEU 82 -5.306 1.477 -10.068 607 HD13 LEU 82 3HD1 LEU 82 -6.547 1.358 -8.805 608 HD21 LEU 82 1HD2 LEU 82 -4.672 0.135 -7.517 609 HD22 LEU 82 2HD2 LEU 82 -3.629 0.177 -8.951 610 HD23 LEU 82 3HD2 LEU 82 -4.017 -1.374 -8.188 611 H TYR 83 H TYR 83 -8.284 -0.493 -11.734 612 HA TYR 83 HA TYR 83 -8.929 -1.371 -13.730 613 HB2 TYR 83 1HB TYR 83 -6.539 -3.156 -13.206 614 HB3 TYR 83 2HB TYR 83 -7.236 -2.801 -14.777 615 HD1 TYR 83 1HD TYR 83 -7.489 -0.204 -15.368 616 HD2 TYR 83 2HD TYR 83 -4.664 -1.891 -12.579 617 HE1 TYR 83 1HE TYR 83 -5.992 1.755 -15.702 618 HE2 TYR 83 2HE TYR 83 -3.157 0.060 -12.935 619 HH TYR 83 HH TYR 83 -4.005 2.747 -15.151 620 H GLY 84 H GLY 84 -10.513 -2.744 -11.603 621 HA2 GLY 84 1HA GLY 84 -12.259 -4.234 -11.753 622 HA3 GLY 84 2HA GLY 84 -11.707 -4.734 -13.347 623 H LYS 85 H LYS 85 -9.693 -4.970 -10.437 624 HA LYS 85 HA LYS 85 -9.927 -7.892 -10.216 625 HB2 LYS 85 1HB LYS 85 -8.240 -7.373 -11.947 626 HB3 LYS 85 2HB LYS 85 -7.342 -6.379 -10.801 627 HG2 LYS 85 1HG LYS 85 -6.848 -8.309 -9.406 628 HG3 LYS 85 2HG LYS 85 -7.904 -9.353 -10.370 629 HD2 LYS 85 1HD LYS 85 -5.468 -7.917 -11.513 630 HD3 LYS 85 2HD LYS 85 -5.400 -9.552 -10.843 631 HE2 LYS 85 1HE LYS 85 -6.930 -10.416 -12.488 632 HE3 LYS 85 2HE LYS 85 -7.339 -8.801 -13.071 633 HZ1 LYS 85 1HZ LYS 85 -5.747 -9.959 -14.518 634 HZ2 LYS 85 2HZ LYS 85 -4.628 -9.973 -13.327 635 HZ3 LYS 85 3HZ LYS 85 -5.154 -8.544 -13.971 636 HA PRO 86 HA PRO 86 -10.036 -5.989 -6.211 637 HB2 PRO 86 1HB PRO 86 -10.398 -8.167 -4.574 638 HB3 PRO 86 2HB PRO 86 -11.656 -7.457 -5.635 639 HG2 PRO 86 1HG PRO 86 -9.863 -9.832 -6.197 640 HG3 PRO 86 2HG PRO 86 -11.634 -9.693 -6.443 641 HD2 PRO 86 1HD PRO 86 -9.868 -9.340 -8.476 642 HD3 PRO 86 2HD PRO 86 -11.338 -8.313 -8.372 643 H ILE 87 H ILE 87 -8.566 -5.149 -4.933 644 HA ILE 87 HA ILE 87 -6.014 -6.578 -4.400 645 HB ILE 87 HB ILE 87 -5.094 -4.383 -3.777 646 HG12 ILE 87 1HG1 ILE 87 -7.434 -3.059 -5.176 647 HG13 ILE 87 2HG1 ILE 87 -7.430 -3.266 -3.423 648 HG21 ILE 87 1HG2 ILE 87 -6.180 -4.653 -6.617 649 HG22 ILE 87 2HG2 ILE 87 -4.821 -3.627 -6.133 650 HG23 ILE 87 3HG2 ILE 87 -4.700 -5.383 -5.965 651 HD11 ILE 87 1HD1 ILE 87 -5.343 -1.727 -5.027 652 HD12 ILE 87 2HD1 ILE 87 -6.640 -1.042 -4.035 653 HD13 ILE 87 3HD1 ILE 87 -5.338 -1.962 -3.263 654 H ARG 88 H ARG 88 -5.178 -6.827 -2.407 655 HA ARG 88 HA ARG 88 -6.995 -6.415 -0.049 656 HB2 ARG 88 1HB ARG 88 -6.558 -8.792 -0.771 657 HB3 ARG 88 2HB ARG 88 -4.838 -8.516 -0.511 658 HG2 ARG 88 1HG ARG 88 -5.596 -9.657 1.404 659 HG3 ARG 88 2HG ARG 88 -5.389 -7.987 1.927 660 HD2 ARG 88 1HD ARG 88 -7.898 -7.668 1.609 661 HD3 ARG 88 2HD ARG 88 -8.010 -9.370 1.187 662 HE ARG 88 HE ARG 88 -7.661 -9.988 3.412 663 HH11 ARG 88 1HH1 ARG 88 -7.458 -6.479 3.227 664 HH12 ARG 88 2HH1 ARG 88 -7.026 -6.334 4.903 665 HH21 ARG 88 1HH2 ARG 88 -7.351 -9.693 5.592 666 HH22 ARG 88 2HH2 ARG 88 -7.138 -8.089 6.232 667 H VAL 89 H VAL 89 -6.278 -5.159 1.576 668 HA VAL 89 HA VAL 89 -3.443 -4.224 1.515 669 HB VAL 89 HB VAL 89 -5.855 -2.456 2.012 670 HG11 VAL 89 1HG1 VAL 89 -3.746 -1.649 3.053 671 HG12 VAL 89 2HG1 VAL 89 -2.930 -1.762 1.487 672 HG13 VAL 89 3HG1 VAL 89 -4.262 -0.609 1.727 673 HG21 VAL 89 1HG2 VAL 89 -4.126 -2.792 -0.476 674 HG22 VAL 89 2HG2 VAL 89 -5.867 -3.116 -0.358 675 HG23 VAL 89 3HG2 VAL 89 -5.272 -1.461 -0.227 676 H ASN 90 H ASN 90 -2.360 -4.100 3.353 677 HA ASN 90 HA ASN 90 -3.580 -3.658 5.949 678 HB2 ASN 90 1HB ASN 90 -2.888 -5.712 7.027 679 HB3 ASN 90 2HB ASN 90 -3.945 -6.110 5.692 680 HD21 ASN 90 1HD2 ASN 90 -2.603 -8.177 6.618 681 HD22 ASN 90 2HD2 ASN 90 -1.247 -8.576 5.572 682 H LYS 91 H LYS 91 -1.620 -4.028 7.689 683 HA LYS 91 HA LYS 91 0.403 -2.070 6.983 684 HB2 LYS 91 1HB LYS 91 0.310 -3.990 9.350 685 HB3 LYS 91 2HB LYS 91 1.333 -2.573 9.229 686 HG2 LYS 91 1HG LYS 91 -1.716 -2.446 9.208 687 HG3 LYS 91 2HG LYS 91 -0.777 -2.419 10.676 688 HD2 LYS 91 1HD LYS 91 -0.355 -0.391 8.438 689 HD3 LYS 91 2HD LYS 91 -1.538 -0.166 9.718 690 HE2 LYS 91 1HE LYS 91 1.480 -0.471 10.100 691 HE3 LYS 91 2HE LYS 91 0.572 1.037 10.143 692 HZ1 LYS 91 1HZ LYS 91 0.889 0.341 12.380 693 HZ2 LYS 91 2HZ LYS 91 0.357 -1.181 12.097 694 HZ3 LYS 91 3HZ LYS 91 -0.685 0.084 12.059 695 H ALA 92 H ALA 92 2.509 -2.311 6.349 696 HA ALA 92 HA ALA 92 3.454 -4.864 5.349 697 HB1 ALA 92 1HB ALA 92 4.927 -2.236 5.761 698 HB2 ALA 92 2HB ALA 92 5.434 -3.583 4.721 699 HB3 ALA 92 3HB ALA 92 3.968 -2.665 4.322 700 H SER 93 H SER 93 3.407 -3.638 8.518 701 HA SER 93 HA SER 93 5.586 -5.454 9.437 702 HB2 SER 93 1HB SER 93 5.693 -4.038 11.432 703 HB3 SER 93 2HB SER 93 5.994 -3.110 9.960 704 HG SER 93 HG SER 93 4.533 -2.174 11.550 705 H ALA 94 H ALA 94 2.464 -5.906 8.937 706 HA ALA 94 HA ALA 94 1.125 -6.084 11.358 707 HB1 ALA 94 1HB ALA 94 0.749 -7.809 8.877 708 HB2 ALA 94 2HB ALA 94 -0.443 -7.574 10.173 709 HB3 ALA 94 3HB ALA 94 0.035 -6.207 9.155 710 H HIS 95 H HIS 95 0.781 -7.506 12.941 711 HA HIS 95 HA HIS 95 1.654 -10.294 12.877 712 HB2 HIS 95 1HB HIS 95 3.213 -10.206 14.702 713 HB3 HIS 95 2HB HIS 95 3.779 -9.124 13.442 714 HD2 HIS 95 2HD HIS 95 2.976 -6.375 13.930 715 HE1 HIS 95 1HE HIS 95 3.301 -6.830 18.159 716 HE2 HIS 95 2HE HIS 95 3.146 -5.142 16.257 717 H ASN 96 H ASN 96 0.334 -7.604 14.810 718 HA ASN 96 HA ASN 96 -0.865 -9.396 16.774 719 HB2 ASN 96 1HB ASN 96 -1.364 -7.356 17.967 720 HB3 ASN 96 2HB ASN 96 0.301 -7.319 17.422 721 HD21 ASN 96 1HD2 ASN 96 -2.401 -5.415 17.723 722 HD22 ASN 96 2HD2 ASN 96 -2.045 -4.261 16.436 723 H LYS 97 H LYS 97 -3.041 -9.465 17.355 724 HA LYS 97 HA LYS 97 -5.077 -8.685 15.292 725 HB2 LYS 97 1HB LYS 97 -4.811 -11.364 16.719 726 HB3 LYS 97 2HB LYS 97 -6.151 -10.890 15.670 727 HG2 LYS 97 1HG LYS 97 -4.585 -10.649 13.754 728 HG3 LYS 97 2HG LYS 97 -3.246 -11.143 14.790 729 HD2 LYS 97 1HD LYS 97 -3.939 -13.042 13.475 730 HD3 LYS 97 2HD LYS 97 -4.276 -13.331 15.176 731 HE2 LYS 97 1HE LYS 97 -6.116 -14.180 13.898 732 HE3 LYS 97 2HE LYS 97 -6.681 -12.775 14.797 733 HZ1 LYS 97 1HZ LYS 97 -7.441 -12.749 12.483 734 HZ2 LYS 97 2HZ LYS 97 -5.912 -12.771 11.922 735 HZ3 LYS 97 3HZ LYS 97 -6.468 -11.468 12.739 736 H ASN 98 H ASN 98 -4.293 -7.721 18.171 737 HA ASN 98 HA ASN 98 -6.600 -8.332 19.810 738 HB2 ASN 98 1HB ASN 98 -5.554 -6.845 21.427 739 HB3 ASN 98 2HB ASN 98 -4.359 -7.947 20.761 740 HD21 ASN 98 1HD2 ASN 98 -4.896 -4.703 21.549 741 HD22 ASN 98 2HD2 ASN 98 -3.649 -4.019 20.510 742 H LEU 99 H LEU 99 -8.308 -7.082 20.418 743 HA LEU 99 HA LEU 99 -8.926 -4.617 18.864 744 HB2 LEU 99 1HB LEU 99 -10.591 -6.430 18.888 745 HB3 LEU 99 2HB LEU 99 -10.646 -6.376 20.650 746 HG LEU 99 HG LEU 99 -11.569 -4.068 20.560 747 HD11 LEU 99 1HD1 LEU 99 -10.664 -3.260 18.422 748 HD12 LEU 99 2HD1 LEU 99 -12.427 -3.192 18.393 749 HD13 LEU 99 3HD1 LEU 99 -11.582 -4.503 17.539 750 HD21 LEU 99 1HD2 LEU 99 -13.089 -6.080 18.852 751 HD22 LEU 99 2HD2 LEU 99 -13.787 -4.688 19.713 752 HD23 LEU 99 3HD2 LEU 99 -13.070 -6.023 20.629 753 H SER 100 H SER 100 -8.637 -5.783 22.212 754 HA SER 100 HA SER 100 -8.282 -4.817 24.211 755 HB2 SER 100 1HB SER 100 -6.885 -2.698 22.554 756 HB3 SER 100 2HB SER 100 -6.679 -2.945 24.294 757 HG SER 100 HG SER 100 -5.844 -4.981 23.917 758 H GLY 101 H GLY 101 -8.298 -2.594 25.518 759 HA2 GLY 101 1HA GLY 101 -10.395 -0.709 24.928 760 HA3 GLY 101 2HA GLY 101 -10.959 -1.968 26.032 761 HA PRO 102 HA PRO 102 -8.691 1.523 28.278 762 HB2 PRO 102 1HB PRO 102 -10.718 2.474 29.860 763 HB3 PRO 102 2HB PRO 102 -10.455 2.999 28.169 764 HG2 PRO 102 1HG PRO 102 -12.371 0.869 29.179 765 HG3 PRO 102 2HG PRO 102 -12.717 2.226 28.060 766 HD2 PRO 102 1HD PRO 102 -12.176 -0.275 27.143 767 HD3 PRO 102 2HD PRO 102 -11.569 1.170 26.280 768 H SER 103 H SER 103 -7.724 1.367 30.263 769 HA SER 103 HA SER 103 -8.053 -1.115 31.765 770 HB2 SER 103 1HB SER 103 -6.028 -0.322 32.955 771 HB3 SER 103 2HB SER 103 -5.842 -0.377 31.195 772 HG SER 103 HG SER 103 -5.029 1.580 32.105 773 H SER 104 H SER 104 -9.480 1.942 32.102 774 HA SER 104 HA SER 104 -9.492 2.236 34.942 775 HB2 SER 104 1HB SER 104 -11.451 3.368 32.911 776 HB3 SER 104 2HB SER 104 -11.131 3.985 34.543 777 HG SER 104 HG SER 104 -9.978 5.162 32.950 778 H GLY 105 H GLY 105 -11.292 0.026 33.060 779 HA2 GLY 105 1HA GLY 105 -13.800 -0.052 34.508 780 HA3 GLY 105 2HA GLY 105 -13.185 -1.272 33.397
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