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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | cing | stage | position | program | type |
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8814 |
1mw4 ![]() ![]() |
cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H GLY 1 HT1 GLY 1 20.098 9.623 -8.995 2 2H GLY 1 HT2 GLY 1 19.631 10.757 -7.831 3 3H GLY 1 HT3 GLY 1 18.499 10.174 -8.944 4 1HA GLY 1 HA1 GLY 1 18.459 8.042 -7.981 5 2HA GLY 1 HA2 GLY 1 19.884 8.405 -7.018 6 H SER 2 HN SER 2 18.426 7.585 -5.288 7 HA SER 2 HA SER 2 17.182 9.846 -3.978 8 1HB SER 2 HB2 SER 2 15.262 9.010 -5.135 9 2HB SER 2 HB1 SER 2 15.616 7.353 -4.662 10 HG SER 2 HG SER 2 14.005 8.221 -3.337 11 HA PRO 3 HA PRO 3 17.542 6.266 -0.703 12 1HB PRO 3 HB2 PRO 3 18.838 4.009 -1.629 13 2HB PRO 3 HB1 PRO 3 17.085 4.170 -1.478 14 1HG PRO 3 HG2 PRO 3 18.821 4.511 -3.892 15 2HG PRO 3 HG1 PRO 3 17.242 3.713 -3.749 16 1HD PRO 3 HD2 PRO 3 17.453 6.167 -4.778 17 2HD PRO 3 HD1 PRO 3 16.087 5.728 -3.735 18 H ALA 4 HN ALA 4 19.079 7.441 0.315 19 HA ALA 4 HA ALA 4 21.853 6.687 -0.122 20 1HB ALA 4 HB1 ALA 4 22.031 8.495 -1.513 21 2HB ALA 4 HB2 ALA 4 22.377 9.261 0.038 22 3HB ALA 4 HB3 ALA 4 20.770 9.402 -0.677 23 H SER 5 HN SER 5 19.652 8.818 1.683 24 HA SER 5 HA SER 5 21.343 8.547 4.053 25 1HB SER 5 HB2 SER 5 18.919 10.291 3.547 26 2HB SER 5 HB1 SER 5 19.886 10.301 5.022 27 HG SER 5 HG SER 5 21.550 11.194 3.944 28 H GLY 6 HN GLY 6 19.746 8.643 6.145 29 1HA GLY 6 HA2 GLY 6 17.817 7.655 7.169 30 2HA GLY 6 HA1 GLY 6 17.728 6.525 5.826 31 H THR 7 HN THR 7 18.239 6.584 8.976 32 HA THR 7 HA THR 7 20.051 4.278 8.869 33 HB THR 7 HB THR 7 20.227 6.547 10.862 34 HG1 THR 7 HG1 THR 7 21.271 7.123 9.012 35 1HG2 THR 7 1HG2 THR 7 21.196 3.818 11.012 36 2HG2 THR 7 2HG2 THR 7 21.116 5.066 12.255 37 3HG2 THR 7 3HG2 THR 7 22.486 5.013 11.144 38 H SER 8 HN SER 8 18.461 6.035 11.525 39 HA SER 8 HA SER 8 16.581 3.855 11.907 40 1HB SER 8 HB2 SER 8 18.587 4.613 14.044 41 2HB SER 8 HB1 SER 8 17.226 3.514 14.268 42 HG SER 8 HG SER 8 19.399 3.157 12.475 43 H LEU 9 HN LEU 9 14.706 4.882 12.074 44 HA LEU 9 HA LEU 9 14.402 6.997 14.048 45 1HB LEU 9 HB2 LEU 9 13.627 7.380 11.154 46 2HB LEU 9 HB1 LEU 9 13.229 8.477 12.462 47 HG LEU 9 HG LEU 9 16.019 7.846 11.494 48 1HD1 LEU 9 1HD1 LEU 9 15.277 9.219 9.840 49 2HD1 LEU 9 2HD1 LEU 9 15.755 10.439 11.021 50 3HD1 LEU 9 3HD1 LEU 9 14.059 9.981 10.863 51 1HD2 LEU 9 1HD2 LEU 9 15.767 10.208 13.109 52 2HD2 LEU 9 2HD2 LEU 9 16.804 8.800 13.340 53 3HD2 LEU 9 3HD2 LEU 9 15.165 8.804 13.990 54 H SER 10 HN SER 10 12.047 7.594 14.309 55 HA SER 10 HA SER 10 10.164 5.577 13.397 56 1HB SER 10 HB2 SER 10 11.093 4.560 15.423 57 2HB SER 10 HB1 SER 10 10.716 6.019 16.341 58 HG SER 10 HG SER 10 8.681 5.447 16.428 59 H ALA 11 HN ALA 11 8.255 6.466 12.975 60 HA ALA 11 HA ALA 11 7.282 8.727 14.521 61 1HB ALA 11 HB1 ALA 11 8.712 9.348 12.323 62 2HB ALA 11 HB2 ALA 11 7.378 10.326 12.932 63 3HB ALA 11 HB3 ALA 11 7.105 9.186 11.615 64 H ALA 12 HN ALA 12 5.186 8.414 14.915 65 HA ALA 12 HA ALA 12 3.461 7.276 12.867 66 1HB ALA 12 HB1 ALA 12 2.572 5.755 14.881 67 2HB ALA 12 HB2 ALA 12 4.279 5.837 15.316 68 3HB ALA 12 HB3 ALA 12 3.800 5.214 13.737 69 H ILE 13 HN ILE 13 2.688 9.508 13.026 70 HA ILE 13 HA ILE 13 1.382 10.353 15.453 71 HB ILE 13 HB ILE 13 2.432 12.007 13.995 72 1HG1 ILE 13 2HG1 ILE 13 0.565 13.619 13.886 73 2HG1 ILE 13 1HG1 ILE 13 -0.578 12.302 14.125 74 1HG2 ILE 13 1HG2 ILE 13 0.328 11.953 11.953 75 2HG2 ILE 13 2HG2 ILE 13 1.424 10.572 11.921 76 3HG2 ILE 13 3HG2 ILE 13 2.067 12.209 11.791 77 1HD1 ILE 13 1HD1 ILE 13 0.244 11.910 16.333 78 2HD1 ILE 13 2HD1 ILE 13 -0.108 13.630 16.162 79 3HD1 ILE 13 3HD1 ILE 13 1.560 13.060 16.098 80 H HIS 14 HN HIS 14 -0.462 9.367 16.043 81 HA HIS 14 HA HIS 14 -2.648 9.240 14.084 82 1HB HIS 14 HB2 HIS 14 -2.072 7.000 16.032 83 2HB HIS 14 HB1 HIS 14 -3.308 7.030 14.778 84 HD1 HIS 14 HD1 HIS 14 0.458 7.473 14.817 85 HD2 HIS 14 HD2 HIS 14 -2.509 5.500 12.700 86 HE1 HIS 14 HE1 HIS 14 1.654 6.230 12.995 87 HE2 HIS 14 HE2 HIS 14 -0.150 4.926 11.816 88 H ARG 15 HN ARG 15 -4.688 9.668 14.922 89 HA ARG 15 HA ARG 15 -4.825 10.114 17.815 90 1HB ARG 15 HB2 ARG 15 -6.209 12.128 17.429 91 2HB ARG 15 HB1 ARG 15 -4.567 12.293 16.815 92 1HG ARG 15 HG2 ARG 15 -5.318 11.905 14.555 93 2HG ARG 15 HG1 ARG 15 -6.949 11.551 15.118 94 1HD ARG 15 HD2 ARG 15 -5.521 14.216 15.180 95 2HD ARG 15 HD1 ARG 15 -6.933 13.769 14.227 96 HE ARG 15 HE ARG 15 -7.591 13.398 16.903 97 1HH1 ARG 15 HH11 ARG 15 -6.759 16.018 14.755 98 2HH1 ARG 15 HH12 ARG 15 -7.690 17.191 15.623 99 1HH2 ARG 15 HH21 ARG 15 -8.817 14.940 18.048 100 2HH2 ARG 15 HH22 ARG 15 -8.858 16.581 17.492 101 H THR 16 HN THR 16 -5.935 8.364 15.439 102 HA THR 16 HA THR 16 -8.454 7.813 16.800 103 HB THR 16 HB THR 16 -9.706 7.713 14.706 104 HG1 THR 16 HG1 THR 16 -8.766 8.244 12.775 105 1HG2 THR 16 1HG2 THR 16 -8.567 10.324 14.181 106 2HG2 THR 16 2HG2 THR 16 -8.913 10.061 15.891 107 3HG2 THR 16 3HG2 THR 16 -10.194 9.874 14.694 108 H GLN 17 HN GLN 17 -9.131 5.965 14.489 109 HA GLN 17 HA GLN 17 -7.331 3.799 15.293 110 1HB GLN 17 HB2 GLN 17 -9.092 2.316 14.282 111 2HB GLN 17 HB1 GLN 17 -9.625 3.249 15.672 112 1HG GLN 17 HG2 GLN 17 -11.342 3.232 13.993 113 2HG GLN 17 HG1 GLN 17 -10.696 4.862 14.159 114 H LEU 18 HN LEU 18 -6.549 5.835 13.414 115 HA LEU 18 HA LEU 18 -6.747 5.236 10.740 116 1HB LEU 18 HB2 LEU 18 -4.184 6.122 12.046 117 2HB LEU 18 HB1 LEU 18 -4.720 6.454 10.412 118 HG LEU 18 HG LEU 18 -5.919 7.590 12.940 119 1HD1 LEU 18 1HD1 LEU 18 -5.055 9.725 12.035 120 2HD1 LEU 18 2HD1 LEU 18 -4.224 8.815 10.775 121 3HD1 LEU 18 3HD1 LEU 18 -3.784 8.580 12.466 122 1HD2 LEU 18 1HD2 LEU 18 -7.574 7.198 11.134 123 2HD2 LEU 18 2HD2 LEU 18 -6.600 8.218 10.074 124 3HD2 LEU 18 3HD2 LEU 18 -7.337 8.902 11.524 125 H TRP 19 HN TRP 19 -5.596 3.979 9.278 126 HA TRP 19 HA TRP 19 -3.970 1.841 10.479 127 1HB TRP 19 HB2 TRP 19 -4.659 0.664 8.197 128 2HB TRP 19 HB1 TRP 19 -5.665 0.574 9.633 129 HD1 TRP 19 HD1 TRP 19 -8.112 0.944 9.134 130 HE1 TRP 19 HE1 TRP 19 -9.489 2.233 7.388 131 HE3 TRP 19 HE3 TRP 19 -4.289 3.109 6.502 132 HZ2 TRP 19 HZ2 TRP 19 -9.027 3.936 5.194 133 HZ3 TRP 19 HZ3 TRP 19 -4.853 4.552 4.592 134 HH2 TRP 19 HH2 TRP 19 -7.170 4.954 3.951 135 H PHE 20 HN PHE 20 -2.814 4.225 9.888 136 HA PHE 20 HA PHE 20 -1.312 3.734 7.410 137 1HB PHE 20 HB2 PHE 20 -1.526 6.303 8.991 138 2HB PHE 20 HB1 PHE 20 -0.702 6.097 7.452 139 HD1 PHE 20 HD1 PHE 20 -1.784 6.990 5.662 140 HD2 PHE 20 HD2 PHE 20 -4.101 5.368 8.844 141 HE1 PHE 20 HE1 PHE 20 -3.846 7.628 4.482 142 HE2 PHE 20 HE2 PHE 20 -6.165 5.997 7.666 143 HZ PHE 20 HZ PHE 20 -6.040 7.130 5.483 144 H HIS 21 HN HIS 21 0.886 3.525 7.463 145 HA HIS 21 HA HIS 21 2.277 3.995 10.000 146 1HB HIS 21 HB2 HIS 21 1.639 1.633 10.061 147 2HB HIS 21 HB1 HIS 21 2.382 1.368 8.493 148 HD1 HIS 21 HD1 HIS 21 5.091 1.778 8.480 149 HD2 HIS 21 HD2 HIS 21 3.275 1.174 12.167 150 HE1 HIS 21 HE1 HIS 21 6.950 1.150 10.051 151 HE2 HIS 21 HE2 HIS 21 5.817 0.715 12.257 152 H GLY 22 HN GLY 22 4.738 3.832 9.682 153 1HA GLY 22 HA2 GLY 22 5.359 5.123 7.125 154 2HA GLY 22 HA1 GLY 22 6.320 5.209 8.589 155 H ARG 23 HN ARG 23 8.068 3.996 8.699 156 HA ARG 23 HA ARG 23 8.758 2.301 6.502 157 1HB ARG 23 HB2 ARG 23 10.399 3.745 7.543 158 2HB ARG 23 HB1 ARG 23 10.228 2.888 9.065 159 1HG ARG 23 HG2 ARG 23 11.055 0.840 7.957 160 2HG ARG 23 HG1 ARG 23 11.314 1.779 6.485 161 1HD ARG 23 HD2 ARG 23 13.388 1.544 7.732 162 2HD ARG 23 HD1 ARG 23 12.873 3.230 7.690 163 HE ARG 23 HE ARG 23 11.865 2.073 10.023 164 1HH1 ARG 23 HH11 ARG 23 14.947 2.924 8.623 165 2HH1 ARG 23 HH12 ARG 23 15.712 3.184 10.155 166 1HH2 ARG 23 HH21 ARG 23 12.869 2.413 12.037 167 2HH2 ARG 23 HH22 ARG 23 14.533 2.893 12.094 168 H ILE 24 HN ILE 24 7.501 0.462 6.509 169 HA ILE 24 HA ILE 24 8.057 -1.383 8.743 170 HB ILE 24 HB ILE 24 5.642 -0.800 8.643 171 1HG1 ILE 24 2HG1 ILE 24 6.311 -3.656 7.900 172 2HG1 ILE 24 1HG1 ILE 24 6.372 -2.970 9.520 173 1HG2 ILE 24 1HG2 ILE 24 4.274 -1.613 6.800 174 2HG2 ILE 24 2HG2 ILE 24 5.717 -2.147 5.948 175 3HG2 ILE 24 3HG2 ILE 24 5.451 -0.427 6.238 176 1HD1 ILE 24 1HD1 ILE 24 4.178 -4.153 8.155 177 2HD1 ILE 24 2HD1 ILE 24 3.791 -2.470 8.511 178 3HD1 ILE 24 3HD1 ILE 24 4.266 -3.561 9.813 179 H SER 25 HN SER 25 9.531 -2.792 8.088 180 HA SER 25 HA SER 25 10.543 -3.239 5.628 181 1HB SER 25 HB2 SER 25 10.142 -5.352 7.758 182 2HB SER 25 HB1 SER 25 11.274 -5.466 6.411 183 HG SER 25 HG SER 25 11.360 -3.821 8.683 184 H ARG 26 HN ARG 26 8.962 -3.189 4.001 185 HA ARG 26 HA ARG 26 6.674 -4.672 3.802 186 1HB ARG 26 HB2 ARG 26 7.464 -4.728 1.194 187 2HB ARG 26 HB1 ARG 26 6.661 -3.375 1.966 188 1HG ARG 26 HG2 ARG 26 8.501 -2.560 0.712 189 2HG ARG 26 HG1 ARG 26 8.879 -2.377 2.419 190 1HD ARG 26 HD2 ARG 26 10.330 -4.293 2.347 191 2HD ARG 26 HD1 ARG 26 9.854 -4.641 0.683 192 HE ARG 26 HE ARG 26 11.392 -3.103 0.002 193 1HH1 ARG 26 HH11 ARG 26 10.614 -2.467 3.345 194 2HH1 ARG 26 HH12 ARG 26 11.662 -1.096 3.463 195 1HH2 ARG 26 HH21 ARG 26 12.765 -1.281 0.156 196 2HH2 ARG 26 HH22 ARG 26 12.881 -0.425 1.658 197 H GLU 27 HN GLU 27 9.959 -5.753 3.131 198 HA GLU 27 HA GLU 27 9.339 -8.217 1.960 199 1HB GLU 27 HB2 GLU 27 11.593 -8.929 2.688 200 2HB GLU 27 HB1 GLU 27 11.598 -7.351 1.913 201 1HG GLU 27 HG2 GLU 27 11.663 -6.293 4.137 202 2HG GLU 27 HG1 GLU 27 11.746 -7.895 4.867 203 H GLU 28 HN GLU 28 9.941 -7.420 5.382 204 HA GLU 28 HA GLU 28 9.177 -10.068 6.242 205 1HB GLU 28 HB2 GLU 28 9.764 -7.558 7.821 206 2HB GLU 28 HB1 GLU 28 9.463 -9.137 8.530 207 1HG GLU 28 HG2 GLU 28 11.438 -10.018 7.379 208 2HG GLU 28 HG1 GLU 28 11.744 -8.420 6.703 209 H SER 29 HN SER 29 7.594 -7.102 5.591 210 HA SER 29 HA SER 29 5.456 -7.191 7.390 211 1HB SER 29 HB2 SER 29 5.944 -5.216 6.033 212 2HB SER 29 HB1 SER 29 5.525 -6.101 4.567 213 HG SER 29 HG SER 29 3.398 -6.303 5.409 214 H GLN 30 HN GLN 30 5.877 -8.701 4.220 215 HA GLN 30 HA GLN 30 3.226 -9.700 4.100 216 1HB GLN 30 HB2 GLN 30 4.020 -11.061 2.218 217 2HB GLN 30 HB1 GLN 30 4.526 -9.385 2.073 218 1HG GLN 30 HG2 GLN 30 6.741 -10.018 2.941 219 2HG GLN 30 HG1 GLN 30 6.223 -11.700 2.963 220 H ARG 31 HN ARG 31 5.917 -10.639 5.909 221 HA ARG 31 HA ARG 31 5.278 -13.434 6.077 222 1HB ARG 31 HB2 ARG 31 7.572 -12.576 6.470 223 2HB ARG 31 HB1 ARG 31 6.991 -11.721 7.891 224 1HG ARG 31 HG2 ARG 31 8.056 -13.685 8.655 225 2HG ARG 31 HG1 ARG 31 6.321 -13.944 8.838 226 1HD ARG 31 HD2 ARG 31 7.944 -14.923 6.494 227 2HD ARG 31 HD1 ARG 31 7.574 -15.899 7.912 228 HE ARG 31 HE ARG 31 5.867 -15.403 5.714 229 1HH1 ARG 31 HH11 ARG 31 5.831 -15.799 9.181 230 2HH1 ARG 31 HH12 ARG 31 4.184 -16.329 9.229 231 1HH2 ARG 31 HH21 ARG 31 3.703 -16.105 5.774 232 2HH2 ARG 31 HH22 ARG 31 2.976 -16.506 7.294 233 H LEU 32 HN LEU 32 4.574 -10.496 7.852 234 HA LEU 32 HA LEU 32 3.151 -11.914 9.951 235 1HB LEU 32 HB2 LEU 32 3.444 -8.956 9.441 236 2HB LEU 32 HB1 LEU 32 2.824 -9.698 10.905 237 HG LEU 32 HG LEU 32 5.565 -10.455 10.037 238 1HD1 LEU 32 1HD1 LEU 32 5.645 -8.088 9.715 239 2HD1 LEU 32 2HD1 LEU 32 6.475 -8.479 11.222 240 3HD1 LEU 32 3HD1 LEU 32 4.846 -7.801 11.262 241 1HD2 LEU 32 1HD2 LEU 32 4.559 -11.493 11.993 242 2HD2 LEU 32 2HD2 LEU 32 4.276 -9.906 12.708 243 3HD2 LEU 32 3HD2 LEU 32 5.926 -10.482 12.462 244 H ILE 33 HN ILE 33 2.279 -9.255 7.720 245 HA ILE 33 HA ILE 33 -0.520 -9.619 8.109 246 HB ILE 33 HB ILE 33 0.987 -8.068 5.998 247 1HG1 ILE 33 2HG1 ILE 33 0.185 -6.110 7.332 248 2HG1 ILE 33 1HG1 ILE 33 -0.443 -7.233 8.532 249 1HG2 ILE 33 1HG2 ILE 33 -1.903 -8.575 6.352 250 2HG2 ILE 33 2HG2 ILE 33 -0.983 -8.212 4.893 251 3HG2 ILE 33 3HG2 ILE 33 -1.429 -6.913 5.999 252 1HD1 ILE 33 1HD1 ILE 33 2.444 -7.242 7.743 253 2HD1 ILE 33 2HD1 ILE 33 1.689 -7.889 9.200 254 3HD1 ILE 33 3HD1 ILE 33 1.816 -6.145 8.973 255 H GLY 34 HN GLY 34 1.691 -11.422 6.328 256 1HA GLY 34 HA2 GLY 34 -0.286 -12.142 4.289 257 2HA GLY 34 HA1 GLY 34 1.406 -12.629 4.304 258 H GLN 35 HN GLN 35 -0.474 -12.776 7.163 259 HA GLN 35 HA GLN 35 -0.441 -15.698 7.086 260 1HB GLN 35 HB2 GLN 35 -0.691 -15.641 9.476 261 2HB GLN 35 HB1 GLN 35 0.594 -14.518 9.057 262 1HG GLN 35 HG2 GLN 35 -1.042 -12.663 9.225 263 2HG GLN 35 HG1 GLN 35 -2.244 -13.827 9.774 264 H GLN 36 HN GLN 36 -2.412 -12.900 6.770 265 HA GLN 36 HA GLN 36 -4.861 -13.991 7.683 266 1HB GLN 36 HB2 GLN 36 -4.130 -11.674 5.937 267 2HB GLN 36 HB1 GLN 36 -5.808 -12.195 6.018 268 1HG GLN 36 HG2 GLN 36 -6.037 -10.969 7.842 269 2HG GLN 36 HG1 GLN 36 -4.945 -12.078 8.668 270 H GLY 37 HN GLY 37 -6.367 -15.237 6.686 271 1HA GLY 37 HA2 GLY 37 -5.581 -16.358 4.088 272 2HA GLY 37 HA1 GLY 37 -6.688 -17.101 5.237 273 H LEU 38 HN LEU 38 -7.101 -13.738 4.587 274 HA LEU 38 HA LEU 38 -9.693 -14.260 3.447 275 1HB LEU 38 HB2 LEU 38 -8.232 -11.681 4.008 276 2HB LEU 38 HB1 LEU 38 -9.862 -11.769 3.371 277 HG LEU 38 HG LEU 38 -9.904 -11.322 5.759 278 1HD1 LEU 38 1HD1 LEU 38 -11.463 -13.076 4.476 279 2HD1 LEU 38 2HD1 LEU 38 -11.662 -12.677 6.183 280 3HD1 LEU 38 3HD1 LEU 38 -10.794 -14.138 5.715 281 1HD2 LEU 38 1HD2 LEU 38 -8.970 -12.741 7.389 282 2HD2 LEU 38 2HD2 LEU 38 -7.706 -12.515 6.181 283 3HD2 LEU 38 3HD2 LEU 38 -8.639 -14.011 6.210 284 H VAL 39 HN VAL 39 -10.231 -12.529 1.568 285 HA VAL 39 HA VAL 39 -8.734 -13.476 -0.688 286 HB VAL 39 HB VAL 39 -10.361 -12.252 -2.052 287 1HG1 VAL 39 1HG1 VAL 39 -11.045 -14.432 -1.554 288 2HG1 VAL 39 2HG1 VAL 39 -12.438 -13.437 -1.128 289 3HG1 VAL 39 3HG1 VAL 39 -11.367 -14.042 0.136 290 1HG2 VAL 39 1HG2 VAL 39 -12.338 -11.442 -0.331 291 2HG2 VAL 39 2HG2 VAL 39 -11.180 -10.380 -1.133 292 3HG2 VAL 39 3HG2 VAL 39 -10.870 -10.942 0.510 293 H ASP 40 HN ASP 40 -8.429 -11.813 -2.525 294 HA ASP 40 HA ASP 40 -6.326 -10.083 -1.694 295 1HB ASP 40 HB2 ASP 40 -7.661 -9.759 -4.356 296 2HB ASP 40 HB1 ASP 40 -5.950 -9.677 -3.954 297 H GLY 41 HN GLY 41 -8.204 -9.369 -0.123 298 1HA GLY 41 HA2 GLY 41 -9.062 -6.745 -1.193 299 2HA GLY 41 HA1 GLY 41 -10.229 -7.766 -0.371 300 H LEU 42 HN LEU 42 -7.371 -8.289 1.178 301 HA LEU 42 HA LEU 42 -8.124 -6.307 3.190 302 1HB LEU 42 HB2 LEU 42 -6.421 -8.787 3.372 303 2HB LEU 42 HB1 LEU 42 -6.567 -7.636 4.680 304 HG LEU 42 HG LEU 42 -7.999 -9.665 4.921 305 1HD1 LEU 42 1HD1 LEU 42 -9.816 -8.528 5.834 306 2HD1 LEU 42 2HD1 LEU 42 -9.736 -7.242 4.629 307 3HD1 LEU 42 3HD1 LEU 42 -8.505 -7.351 5.887 308 1HD2 LEU 42 1HD2 LEU 42 -8.540 -9.929 2.528 309 2HD2 LEU 42 2HD2 LEU 42 -9.548 -8.485 2.623 310 3HD2 LEU 42 3HD2 LEU 42 -9.971 -9.914 3.559 311 H PHE 43 HN PHE 43 -7.265 -4.474 2.539 312 HA PHE 43 HA PHE 43 -4.385 -4.425 1.915 313 1HB PHE 43 HB2 PHE 43 -4.761 -2.625 0.459 314 2HB PHE 43 HB1 PHE 43 -6.152 -3.676 0.199 315 HD1 PHE 43 HD1 PHE 43 -8.332 -2.855 0.504 316 HD2 PHE 43 HD2 PHE 43 -5.024 -0.630 1.987 317 HE1 PHE 43 HE1 PHE 43 -9.827 -0.963 0.998 318 HE2 PHE 43 HE2 PHE 43 -6.513 1.263 2.483 319 HZ PHE 43 HZ PHE 43 -8.919 1.097 1.988 320 H LEU 44 HN LEU 44 -3.127 -2.590 2.563 321 HA LEU 44 HA LEU 44 -4.129 -1.105 4.898 322 1HB LEU 44 HB2 LEU 44 -2.709 -2.971 5.668 323 2HB LEU 44 HB1 LEU 44 -1.408 -2.400 4.642 324 HG LEU 44 HG LEU 44 -1.268 -0.333 5.975 325 1HD1 LEU 44 1HD1 LEU 44 -3.337 -1.651 7.725 326 2HD1 LEU 44 2HD1 LEU 44 -3.602 -0.240 6.704 327 3HD1 LEU 44 3HD1 LEU 44 -2.489 -0.144 8.068 328 1HD2 LEU 44 1HD2 LEU 44 0.002 -2.471 6.509 329 2HD2 LEU 44 2HD2 LEU 44 -1.160 -2.705 7.815 330 3HD2 LEU 44 3HD2 LEU 44 -0.126 -1.276 7.799 331 H VAL 45 HN VAL 45 -2.671 0.878 5.344 332 HA VAL 45 HA VAL 45 -1.503 1.838 2.809 333 HB VAL 45 HB VAL 45 -3.289 3.434 4.644 334 1HG1 VAL 45 1HG1 VAL 45 -1.775 5.020 3.893 335 2HG1 VAL 45 2HG1 VAL 45 -3.041 5.102 2.669 336 3HG1 VAL 45 3HG1 VAL 45 -1.551 4.219 2.338 337 1HG2 VAL 45 1HG2 VAL 45 -4.711 3.577 2.591 338 2HG2 VAL 45 2HG2 VAL 45 -4.590 1.959 3.285 339 3HG2 VAL 45 3HG2 VAL 45 -3.654 2.376 1.847 340 H ARG 46 HN ARG 46 0.591 1.469 3.541 341 HA ARG 46 HA ARG 46 1.561 3.519 5.389 342 1HB ARG 46 HB2 ARG 46 2.436 2.112 6.918 343 2HB ARG 46 HB1 ARG 46 1.228 0.993 6.321 344 1HG ARG 46 HG2 ARG 46 4.126 1.095 5.515 345 2HG ARG 46 HG1 ARG 46 3.367 -0.084 6.571 346 1HD ARG 46 HD2 ARG 46 2.041 -0.948 4.753 347 2HD ARG 46 HD1 ARG 46 2.624 0.310 3.673 348 HE ARG 46 HE ARG 46 3.863 -2.147 4.115 349 1HH1 ARG 46 HH11 ARG 46 4.700 1.196 3.899 350 2HH1 ARG 46 HH12 ARG 46 6.343 0.904 3.479 351 1HH2 ARG 46 HH21 ARG 46 6.065 -2.554 3.533 352 2HH2 ARG 46 HH22 ARG 46 7.119 -1.213 3.250 353 H GLU 47 HN GLU 47 4.073 3.742 5.164 354 HA GLU 47 HA GLU 47 4.951 2.535 2.704 355 1HB GLU 47 HB2 GLU 47 3.964 4.709 2.010 356 2HB GLU 47 HB1 GLU 47 5.274 5.503 2.876 357 1HG GLU 47 HG2 GLU 47 6.063 3.343 1.037 358 2HG GLU 47 HG1 GLU 47 5.407 4.771 0.271 359 H SER 48 HN SER 48 6.851 5.204 3.304 360 HA SER 48 HA SER 48 8.636 3.599 4.994 361 1HB SER 48 HB2 SER 48 9.042 3.280 2.497 362 2HB SER 48 HB1 SER 48 9.551 4.964 2.461 363 HG SER 48 HG SER 48 10.693 3.116 4.257 364 H GLN 49 HN GLN 49 10.173 4.721 6.115 365 HA GLN 49 HA GLN 49 9.711 7.605 6.320 366 1HB GLN 49 HB2 GLN 49 10.644 7.515 8.515 367 2HB GLN 49 HB1 GLN 49 9.561 6.131 8.401 368 1HG GLN 49 HG2 GLN 49 11.508 5.383 9.503 369 2HG GLN 49 HG1 GLN 49 11.583 4.737 7.869 370 H ARG 50 HN ARG 50 11.382 5.556 4.577 371 HA ARG 50 HA ARG 50 13.965 6.922 4.636 372 1HB ARG 50 HB2 ARG 50 13.992 4.448 4.666 373 2HB ARG 50 HB1 ARG 50 13.088 4.426 3.160 374 1HG ARG 50 HG2 ARG 50 15.352 3.999 2.626 375 2HG ARG 50 HG1 ARG 50 14.998 5.644 2.096 376 1HD ARG 50 HD2 ARG 50 16.318 4.955 4.718 377 2HD ARG 50 HD1 ARG 50 17.200 5.370 3.249 378 HE ARG 50 HE ARG 50 15.988 7.174 5.058 379 1HH1 ARG 50 HH11 ARG 50 16.574 6.687 1.651 380 2HH1 ARG 50 HH12 ARG 50 16.495 8.375 1.270 381 1HH2 ARG 50 HH21 ARG 50 15.889 9.392 4.558 382 2HH2 ARG 50 HH22 ARG 50 16.108 9.911 2.919 383 H ASN 51 HN ASN 51 11.290 5.984 2.440 384 HA ASN 51 HA ASN 51 12.350 7.679 0.342 385 1HB ASN 51 HB2 ASN 51 9.630 6.379 0.530 386 2HB ASN 51 HB1 ASN 51 10.410 6.994 -0.925 387 1HD2 ASN 51 1HD2 ASN 51 12.926 5.749 0.663 388 2HD2 ASN 51 2HD2 ASN 51 12.885 4.122 0.099 389 HA PRO 52 HA PRO 52 10.690 11.326 2.604 390 1HB PRO 52 HB2 PRO 52 11.240 12.885 0.281 391 2HB PRO 52 HB1 PRO 52 12.166 12.821 1.780 392 1HG PRO 52 HG2 PRO 52 12.632 11.425 -0.788 393 2HG PRO 52 HG1 PRO 52 13.793 11.916 0.456 394 1HD PRO 52 HD2 PRO 52 13.108 9.347 0.106 395 2HD PRO 52 HD1 PRO 52 13.432 10.012 1.721 396 H GLN 53 HN GLN 53 10.109 10.690 -0.824 397 HA GLN 53 HA GLN 53 7.316 11.552 -0.488 398 1HB GLN 53 HB2 GLN 53 7.251 12.021 -2.870 399 2HB GLN 53 HB1 GLN 53 8.569 12.910 -2.132 400 1HG GLN 53 HG2 GLN 53 8.916 10.326 -3.638 401 2HG GLN 53 HG1 GLN 53 9.079 11.923 -4.355 402 H GLY 54 HN GLY 54 7.366 9.297 0.524 403 1HA GLY 54 HA2 GLY 54 6.750 7.407 -1.639 404 2HA GLY 54 HA1 GLY 54 7.765 6.935 -0.294 405 H PHE 55 HN PHE 55 4.808 6.753 -1.592 406 HA PHE 55 HA PHE 55 3.575 5.939 0.937 407 1HB PHE 55 HB2 PHE 55 2.288 7.479 -1.314 408 2HB PHE 55 HB1 PHE 55 1.352 6.599 -0.110 409 HD1 PHE 55 HD1 PHE 55 4.308 8.889 0.009 410 HD2 PHE 55 HD2 PHE 55 0.405 7.989 1.440 411 HE1 PHE 55 HE1 PHE 55 4.431 10.819 1.520 412 HE2 PHE 55 HE2 PHE 55 0.512 9.927 2.953 413 HZ PHE 55 HZ PHE 55 2.527 11.346 2.995 414 H VAL 56 HN VAL 56 2.654 3.918 0.925 415 HA VAL 56 HA VAL 56 2.376 2.536 -1.656 416 HB VAL 56 HB VAL 56 3.993 1.048 -1.105 417 1HG1 VAL 56 1HG1 VAL 56 4.333 1.052 1.692 418 2HG1 VAL 56 2HG1 VAL 56 4.160 2.727 1.171 419 3HG1 VAL 56 3HG1 VAL 56 5.404 1.711 0.454 420 1HG2 VAL 56 1HG2 VAL 56 3.435 -0.731 0.418 421 2HG2 VAL 56 2HG2 VAL 56 2.002 -0.271 -0.498 422 3HG2 VAL 56 3HG2 VAL 56 2.194 0.261 1.177 423 H LEU 57 HN LEU 57 0.750 1.117 -1.883 424 HA LEU 57 HA LEU 57 -1.233 1.017 0.286 425 1HB LEU 57 HB2 LEU 57 -1.885 1.990 -2.023 426 2HB LEU 57 HB1 LEU 57 -1.757 0.341 -2.608 427 HG LEU 57 HG LEU 57 -3.698 1.424 -0.576 428 1HD1 LEU 57 1HD1 LEU 57 -4.389 -0.147 -3.015 429 2HD1 LEU 57 2HD1 LEU 57 -4.010 1.570 -3.152 430 3HD1 LEU 57 3HD1 LEU 57 -5.347 1.040 -2.131 431 1HD2 LEU 57 1HD2 LEU 57 -4.564 -0.900 -0.439 432 2HD2 LEU 57 2HD2 LEU 57 -2.966 -0.692 0.281 433 3HD2 LEU 57 3HD2 LEU 57 -3.129 -1.443 -1.308 434 H SER 58 HN SER 58 -1.197 -0.899 1.319 435 HA SER 58 HA SER 58 0.141 -3.134 -0.004 436 1HB SER 58 HB2 SER 58 -0.720 -2.981 2.885 437 2HB SER 58 HB1 SER 58 0.497 -4.040 2.172 438 HG SER 58 HG SER 58 0.706 -1.217 2.159 439 H LEU 59 HN LEU 59 -0.798 -5.052 -0.432 440 HA LEU 59 HA LEU 59 -3.688 -5.236 0.081 441 1HB LEU 59 HB2 LEU 59 -2.056 -6.472 -2.133 442 2HB LEU 59 HB1 LEU 59 -3.775 -6.716 -1.893 443 HG LEU 59 HG LEU 59 -2.433 -4.097 -2.565 444 1HD1 LEU 59 1HD1 LEU 59 -4.455 -5.401 -4.297 445 2HD1 LEU 59 2HD1 LEU 59 -2.821 -6.065 -4.290 446 3HD1 LEU 59 3HD1 LEU 59 -3.085 -4.376 -4.725 447 1HD2 LEU 59 1HD2 LEU 59 -4.686 -3.195 -2.736 448 2HD2 LEU 59 2HD2 LEU 59 -4.375 -3.791 -1.106 449 3HD2 LEU 59 3HD2 LEU 59 -5.359 -4.741 -2.219 450 H CYS 60 HN CYS 60 -4.410 -7.647 -0.057 451 HA CYS 60 HA CYS 60 -2.548 -9.458 1.204 452 1HB CYS 60 HB2 CYS 60 -3.781 -8.294 3.071 453 2HB CYS 60 HB1 CYS 60 -5.272 -8.935 2.396 454 HG CYS 60 HG CYS 60 -3.083 -10.385 4.403 455 H HIS 61 HN HIS 61 -2.626 -10.341 -0.792 456 HA HIS 61 HA HIS 61 -5.107 -11.142 -1.915 457 1HB HIS 61 HB2 HIS 61 -3.632 -10.448 -3.465 458 2HB HIS 61 HB1 HIS 61 -2.258 -11.158 -2.676 459 HD1 HIS 61 HD1 HIS 61 -2.099 -13.883 -3.079 460 HD2 HIS 61 HD2 HIS 61 -4.624 -11.763 -5.590 461 HE1 HIS 61 HE1 HIS 61 -2.550 -15.405 -5.023 462 HE2 HIS 61 HE2 HIS 61 -4.243 -14.183 -6.407 463 H LEU 62 HN LEU 62 -5.111 -13.583 -2.786 464 HA LEU 62 HA LEU 62 -4.924 -15.103 -0.296 465 1HB LEU 62 HB2 LEU 62 -6.185 -16.834 -1.890 466 2HB LEU 62 HB1 LEU 62 -7.011 -15.564 -1.011 467 HG LEU 62 HG LEU 62 -7.103 -14.177 -2.992 468 1HD1 LEU 62 1HD1 LEU 62 -4.889 -15.548 -3.849 469 2HD1 LEU 62 2HD1 LEU 62 -5.853 -14.436 -4.825 470 3HD1 LEU 62 3HD1 LEU 62 -6.163 -16.174 -4.895 471 1HD2 LEU 62 1HD2 LEU 62 -8.144 -16.944 -3.035 472 2HD2 LEU 62 2HD2 LEU 62 -8.270 -16.012 -4.527 473 3HD2 LEU 62 3HD2 LEU 62 -9.004 -15.403 -3.043 474 H GLN 63 HN GLN 63 -2.651 -14.561 -1.398 475 HA GLN 63 HA GLN 63 -1.608 -17.132 -1.302 476 1HB GLN 63 HB2 GLN 63 -1.075 -15.488 -3.777 477 2HB GLN 63 HB1 GLN 63 -0.064 -16.836 -3.287 478 1HG GLN 63 HG2 GLN 63 -3.001 -17.021 -3.917 479 2HG GLN 63 HG1 GLN 63 -1.697 -17.432 -5.026 480 H LYS 64 HN LYS 64 -1.175 -13.684 -1.682 481 HA LYS 64 HA LYS 64 0.775 -13.744 0.438 482 1HB LYS 64 HB2 LYS 64 2.547 -12.623 -0.813 483 2HB LYS 64 HB1 LYS 64 2.152 -14.165 -1.556 484 1HG LYS 64 HG2 LYS 64 0.828 -13.031 -3.253 485 2HG LYS 64 HG1 LYS 64 1.182 -11.475 -2.500 486 1HD LYS 64 HD2 LYS 64 2.622 -11.869 -4.432 487 2HD LYS 64 HD1 LYS 64 3.563 -11.798 -2.941 488 1HE LYS 64 HE2 LYS 64 4.324 -13.619 -4.375 489 2HE LYS 64 HE1 LYS 64 3.647 -14.236 -2.869 490 1HZ LYS 64 HZ1 LYS 64 2.984 -15.342 -5.074 491 2HZ LYS 64 HZ2 LYS 64 1.962 -14.009 -5.276 492 3HZ LYS 64 HZ3 LYS 64 1.773 -15.024 -3.937 493 H VAL 65 HN VAL 65 1.818 -11.165 -0.068 494 HA VAL 65 HA VAL 65 -0.442 -9.334 -0.213 495 HB VAL 65 HB VAL 65 0.259 -8.100 1.770 496 1HG1 VAL 65 1HG1 VAL 65 0.047 -10.337 3.374 497 2HG1 VAL 65 2HG1 VAL 65 -0.727 -10.827 1.869 498 3HG1 VAL 65 3HG1 VAL 65 -1.290 -9.390 2.721 499 1HG2 VAL 65 1HG2 VAL 65 2.119 -10.276 2.591 500 2HG2 VAL 65 2HG2 VAL 65 2.067 -8.586 3.092 501 3HG2 VAL 65 3HG2 VAL 65 2.687 -9.014 1.499 502 H LYS 66 HN LYS 66 0.384 -7.056 -0.618 503 HA LYS 66 HA LYS 66 3.185 -7.039 -1.477 504 1HB LYS 66 HB2 LYS 66 2.431 -5.806 -3.600 505 2HB LYS 66 HB1 LYS 66 2.266 -7.551 -3.540 506 1HG LYS 66 HG2 LYS 66 -0.007 -5.710 -2.871 507 2HG LYS 66 HG1 LYS 66 0.341 -6.217 -4.523 508 1HD LYS 66 HD2 LYS 66 -0.370 -7.992 -2.187 509 2HD LYS 66 HD1 LYS 66 -1.352 -7.658 -3.609 510 1HE LYS 66 HE2 LYS 66 1.254 -9.169 -3.510 511 2HE LYS 66 HE1 LYS 66 -0.345 -9.823 -3.854 512 1HZ LYS 66 HZ1 LYS 66 1.506 -8.528 -5.612 513 2HZ LYS 66 HZ2 LYS 66 -0.037 -7.841 -5.696 514 3HZ LYS 66 HZ3 LYS 66 0.167 -9.496 -5.980 515 H HIS 67 HN HIS 67 3.730 -4.765 -2.427 516 HA HIS 67 HA HIS 67 2.484 -2.638 -0.838 517 1HB HIS 67 HB2 HIS 67 5.445 -3.266 -0.899 518 2HB HIS 67 HB1 HIS 67 4.725 -1.863 -0.120 519 HD1 HIS 67 HD1 HIS 67 3.053 -2.447 1.928 520 HD2 HIS 67 HD2 HIS 67 5.555 -5.507 0.648 521 HE1 HIS 67 HE1 HIS 67 3.019 -4.159 3.770 522 HE2 HIS 67 HE2 HIS 67 4.437 -6.056 2.914 523 H TYR 68 HN TYR 68 1.814 -1.252 -2.382 524 HA TYR 68 HA TYR 68 3.490 -0.781 -4.744 525 1HB TYR 68 HB2 TYR 68 0.649 0.094 -4.193 526 2HB TYR 68 HB1 TYR 68 1.502 0.253 -5.722 527 HD1 TYR 68 HD1 TYR 68 -1.015 -0.950 -5.924 528 HD2 TYR 68 HD2 TYR 68 2.624 -2.792 -4.712 529 HE1 TYR 68 HE1 TYR 68 -1.889 -3.134 -6.633 530 HE2 TYR 68 HE2 TYR 68 1.759 -4.981 -5.420 531 HH TYR 68 HH TYR 68 0.069 -5.889 -6.956 532 H LEU 69 HN LEU 69 5.082 0.616 -3.832 533 HA LEU 69 HA LEU 69 4.023 3.275 -3.140 534 1HB LEU 69 HB2 LEU 69 4.814 2.835 -1.109 535 2HB LEU 69 HB1 LEU 69 5.864 1.560 -1.664 536 HG LEU 69 HG LEU 69 7.011 3.472 -0.543 537 1HD1 LEU 69 1HD1 LEU 69 7.854 2.208 -2.910 538 2HD1 LEU 69 2HD1 LEU 69 8.832 2.900 -1.623 539 3HD1 LEU 69 3HD1 LEU 69 8.349 3.896 -2.992 540 1HD2 LEU 69 1HD2 LEU 69 6.837 5.177 -2.902 541 2HD2 LEU 69 2HD2 LEU 69 6.846 5.575 -1.192 542 3HD2 LEU 69 3HD2 LEU 69 5.358 5.041 -1.955 543 H ILE 70 HN ILE 70 4.570 4.646 -4.761 544 HA ILE 70 HA ILE 70 7.443 4.702 -5.176 545 HB ILE 70 HB ILE 70 5.705 4.198 -7.564 546 1HG1 ILE 70 2HG1 ILE 70 8.058 2.889 -6.207 547 2HG1 ILE 70 1HG1 ILE 70 6.450 2.226 -6.400 548 1HG2 ILE 70 1HG2 ILE 70 8.216 5.692 -7.294 549 2HG2 ILE 70 2HG2 ILE 70 7.073 5.647 -8.637 550 3HG2 ILE 70 3HG2 ILE 70 8.285 4.378 -8.463 551 1HD1 ILE 70 1HD1 ILE 70 8.732 2.021 -8.110 552 2HD1 ILE 70 2HD1 ILE 70 7.366 2.715 -8.984 553 3HD1 ILE 70 3HD1 ILE 70 7.198 1.159 -8.176 554 H LEU 71 HN LEU 71 4.427 6.193 -5.827 555 HA LEU 71 HA LEU 71 5.817 8.778 -5.537 556 1HB LEU 71 HB2 LEU 71 3.692 8.510 -7.601 557 2HB LEU 71 HB1 LEU 71 4.976 9.689 -7.493 558 HG LEU 71 HG LEU 71 5.572 6.800 -8.068 559 1HD1 LEU 71 1HD1 LEU 71 3.986 7.379 -9.750 560 2HD1 LEU 71 2HD1 LEU 71 5.597 7.432 -10.473 561 3HD1 LEU 71 3HD1 LEU 71 4.777 8.932 -10.035 562 1HD2 LEU 71 1HD2 LEU 71 7.313 8.593 -7.414 563 2HD2 LEU 71 2HD2 LEU 71 7.059 9.203 -9.049 564 3HD2 LEU 71 3HD2 LEU 71 7.636 7.554 -8.803 565 HA PRO 72 HA PRO 72 2.115 9.535 -3.126 566 1HB PRO 72 HB2 PRO 72 3.081 11.484 -1.640 567 2HB PRO 72 HB1 PRO 72 3.812 9.880 -1.547 568 1HG PRO 72 HG2 PRO 72 4.794 12.323 -2.949 569 2HG PRO 72 HG1 PRO 72 5.711 11.094 -2.062 570 1HD PRO 72 HD2 PRO 72 5.308 11.209 -4.859 571 2HD PRO 72 HD1 PRO 72 5.988 9.851 -3.942 572 H SER 73 HN SER 73 1.349 11.991 -2.261 573 HA SER 73 HA SER 73 0.043 13.125 -4.481 574 1HB SER 73 HB2 SER 73 -0.886 13.277 -2.229 575 2HB SER 73 HB1 SER 73 0.482 14.262 -1.710 576 HG SER 73 HG SER 73 -1.175 15.647 -2.206 577 H GLU 74 HN GLU 74 1.329 13.892 -6.069 578 HA GLU 74 HA GLU 74 3.459 15.782 -5.379 579 1HB GLU 74 HB2 GLU 74 2.822 14.328 -7.948 580 2HB GLU 74 HB1 GLU 74 4.151 15.464 -7.753 581 1HG GLU 74 HG2 GLU 74 5.311 14.050 -6.310 582 2HG GLU 74 HG1 GLU 74 3.881 13.076 -5.969 583 H GLU 75 HN GLU 75 3.742 17.475 -7.326 584 HA GLU 75 HA GLU 75 1.233 18.965 -7.343 585 1HB GLU 75 HB2 GLU 75 3.179 20.133 -6.479 586 2HB GLU 75 HB1 GLU 75 4.080 19.784 -7.946 587 1HG GLU 75 HG2 GLU 75 2.640 21.203 -9.228 588 2HG GLU 75 HG1 GLU 75 1.597 21.468 -7.835 589 H GLU 76 HN GLU 76 2.378 16.695 -9.138 590 HA GLU 76 HA GLU 76 1.748 17.945 -11.714 591 1HB GLU 76 HB2 GLU 76 2.803 15.865 -12.684 592 2HB GLU 76 HB1 GLU 76 3.911 16.929 -11.830 593 1HG GLU 76 HG2 GLU 76 3.729 15.463 -9.850 594 2HG GLU 76 HG1 GLU 76 2.716 14.372 -10.792 595 H GLY 77 HN GLY 77 0.568 16.081 -9.194 596 1HA GLY 77 HA2 GLY 77 -1.910 15.561 -10.448 597 2HA GLY 77 HA1 GLY 77 -0.956 14.093 -10.399 598 H ARG 78 HN ARG 78 -1.801 12.880 -8.825 599 HA ARG 78 HA ARG 78 -1.897 14.046 -6.153 600 1HB ARG 78 HB2 ARG 78 -3.999 12.521 -5.812 601 2HB ARG 78 HB1 ARG 78 -4.166 14.122 -6.507 602 1HG ARG 78 HG2 ARG 78 -3.960 11.617 -8.145 603 2HG ARG 78 HG1 ARG 78 -5.487 12.316 -7.616 604 1HD ARG 78 HD2 ARG 78 -3.522 13.321 -9.624 605 2HD ARG 78 HD1 ARG 78 -5.274 13.210 -9.728 606 HE ARG 78 HE ARG 78 -3.809 15.464 -8.945 607 1HH1 ARG 78 HH11 ARG 78 -6.659 13.698 -7.996 608 2HH1 ARG 78 HH12 ARG 78 -7.430 15.074 -7.291 609 1HH2 ARG 78 HH21 ARG 78 -4.820 17.275 -8.021 610 2HH2 ARG 78 HH22 ARG 78 -6.388 17.105 -7.306 611 H LEU 79 HN LEU 79 -3.214 10.863 -6.344 612 HA LEU 79 HA LEU 79 -0.814 9.867 -5.086 613 1HB LEU 79 HB2 LEU 79 -3.416 8.494 -5.750 614 2HB LEU 79 HB1 LEU 79 -2.083 7.723 -4.913 615 HG LEU 79 HG LEU 79 -3.681 8.389 -3.273 616 1HD1 LEU 79 1HD1 LEU 79 -1.133 8.912 -3.010 617 2HD1 LEU 79 2HD1 LEU 79 -2.296 9.448 -1.797 618 3HD1 LEU 79 3HD1 LEU 79 -1.696 10.584 -3.005 619 1HD2 LEU 79 1HD2 LEU 79 -4.774 10.401 -3.164 620 2HD2 LEU 79 2HD2 LEU 79 -4.576 10.237 -4.908 621 3HD2 LEU 79 3HD2 LEU 79 -3.481 11.271 -3.989 622 H TYR 80 HN TYR 80 0.863 9.492 -6.406 623 HA TYR 80 HA TYR 80 0.283 8.488 -9.057 624 1HB TYR 80 HB2 TYR 80 2.530 9.982 -7.860 625 2HB TYR 80 HB1 TYR 80 2.889 8.940 -9.233 626 HD1 TYR 80 HD1 TYR 80 -0.395 10.500 -8.944 627 HD2 TYR 80 HD2 TYR 80 3.501 10.863 -10.614 628 HE1 TYR 80 HE1 TYR 80 -1.225 12.211 -10.495 629 HE2 TYR 80 HE2 TYR 80 2.678 12.586 -12.166 630 HH TYR 80 HH TYR 80 0.069 13.071 -13.157 631 H PHE 81 HN PHE 81 -0.241 6.347 -8.487 632 HA PHE 81 HA PHE 81 2.047 4.685 -8.698 633 1HB PHE 81 HB2 PHE 81 1.243 3.113 -6.846 634 2HB PHE 81 HB1 PHE 81 2.080 4.580 -6.353 635 HD1 PHE 81 HD1 PHE 81 -1.407 4.684 -7.501 636 HD2 PHE 81 HD2 PHE 81 1.183 4.489 -4.130 637 HE1 PHE 81 HE1 PHE 81 -3.290 5.257 -6.028 638 HE2 PHE 81 HE2 PHE 81 -0.695 5.066 -2.650 639 HZ PHE 81 HZ PHE 81 -2.935 5.450 -3.599 640 H SER 82 HN SER 82 1.363 2.299 -8.675 641 HA SER 82 HA SER 82 -1.196 1.881 -9.976 642 1HB SER 82 HB2 SER 82 1.399 1.239 -11.366 643 2HB SER 82 HB1 SER 82 -0.236 1.032 -11.996 644 HG SER 82 HG SER 82 1.314 3.306 -11.780 645 H MET 83 HN MET 83 0.983 -0.436 -10.919 646 HA MET 83 HA MET 83 0.936 -2.053 -8.529 647 1HB MET 83 HB2 MET 83 -0.350 -3.008 -11.101 648 2HB MET 83 HB1 MET 83 -0.146 -3.949 -9.630 649 1HG MET 83 HG2 MET 83 -1.651 -2.463 -8.450 650 2HG MET 83 HG1 MET 83 -1.837 -1.480 -9.898 651 1HE MET 83 HE1 MET 83 -1.883 -3.771 -12.145 652 2HE MET 83 HE2 MET 83 -2.968 -2.381 -12.150 653 3HE MET 83 HE3 MET 83 -3.621 -4.011 -12.324 654 H ASP 84 HN ASP 84 1.720 -4.448 -9.718 655 HA ASP 84 HA ASP 84 4.427 -3.938 -10.284 656 1HB ASP 84 HB2 ASP 84 3.584 -6.109 -9.414 657 2HB ASP 84 HB1 ASP 84 2.848 -6.424 -10.982 658 H ASP 85 HN ASP 85 1.590 -4.195 -12.323 659 HA ASP 85 HA ASP 85 3.241 -3.359 -14.595 660 1HB ASP 85 HB2 ASP 85 2.078 -4.929 -16.100 661 2HB ASP 85 HB1 ASP 85 3.001 -5.767 -14.855 662 H GLY 86 HN GLY 86 1.507 -1.734 -12.995 663 1HA GLY 86 HA2 GLY 86 -0.577 -1.151 -15.011 664 2HA GLY 86 HA1 GLY 86 -0.890 -1.024 -13.288 665 H GLN 87 HN GLN 87 -1.439 1.130 -14.775 666 HA GLN 87 HA GLN 87 0.575 3.034 -13.865 667 1HB GLN 87 HB2 GLN 87 0.350 4.314 -16.005 668 2HB GLN 87 HB1 GLN 87 1.167 2.766 -16.174 669 1HG GLN 87 HG2 GLN 87 -0.886 1.771 -17.034 670 2HG GLN 87 HG1 GLN 87 -1.716 3.311 -16.854 671 H THR 88 HN THR 88 -1.123 3.278 -12.203 672 HA THR 88 HA THR 88 -3.367 4.872 -13.190 673 HB THR 88 HB THR 88 -4.577 4.198 -11.139 674 HG1 THR 88 HG1 THR 88 -2.964 3.688 -9.740 675 1HG2 THR 88 1HG2 THR 88 -4.197 1.541 -11.830 676 2HG2 THR 88 2HG2 THR 88 -3.871 2.443 -13.311 677 3HG2 THR 88 3HG2 THR 88 -5.412 2.645 -12.475 678 H ARG 89 HN ARG 89 -0.545 5.535 -12.045 679 HA ARG 89 HA ARG 89 -0.519 6.915 -9.762 680 1HB ARG 89 HB2 ARG 89 1.160 8.379 -10.708 681 2HB ARG 89 HB1 ARG 89 1.367 6.753 -11.338 682 1HG ARG 89 HG2 ARG 89 1.275 7.540 -13.398 683 2HG ARG 89 HG1 ARG 89 -0.354 8.146 -13.102 684 1HD ARG 89 HD2 ARG 89 0.597 10.222 -12.185 685 2HD ARG 89 HD1 ARG 89 2.218 9.610 -12.504 686 HE ARG 89 HE ARG 89 1.975 10.316 -14.649 687 1HH1 ARG 89 HH11 ARG 89 -1.215 9.834 -13.312 688 2HH1 ARG 89 HH12 ARG 89 -2.030 10.347 -14.750 689 1HH2 ARG 89 HH21 ARG 89 0.902 10.997 -16.537 690 2HH2 ARG 89 HH22 ARG 89 -0.830 11.010 -16.580 691 H PHE 90 HN PHE 90 -2.974 7.447 -9.778 692 HA PHE 90 HA PHE 90 -3.185 10.332 -10.186 693 1HB PHE 90 HB2 PHE 90 -5.516 10.043 -11.110 694 2HB PHE 90 HB1 PHE 90 -4.228 9.528 -12.188 695 HD1 PHE 90 HD1 PHE 90 -4.598 7.612 -13.355 696 HD2 PHE 90 HD2 PHE 90 -6.357 8.021 -9.503 697 HE1 PHE 90 HE1 PHE 90 -5.684 5.421 -13.621 698 HE2 PHE 90 HE2 PHE 90 -7.439 5.830 -9.759 699 HZ PHE 90 HZ PHE 90 -7.105 4.525 -11.820 700 H THR 91 HN THR 91 -6.019 10.366 -9.432 701 HA THR 91 HA THR 91 -5.886 10.663 -6.732 702 HB THR 91 HB THR 91 -8.299 10.537 -6.739 703 HG1 THR 91 HG1 THR 91 -9.400 9.709 -8.555 704 1HG2 THR 91 1HG2 THR 91 -6.934 11.956 -8.863 705 2HG2 THR 91 2HG2 THR 91 -8.197 12.501 -7.760 706 3HG2 THR 91 3HG2 THR 91 -8.626 11.616 -9.224 707 H ASP 92 HN ASP 92 -7.002 9.348 -5.019 708 HA ASP 92 HA ASP 92 -7.056 6.484 -5.488 709 1HB ASP 92 HB2 ASP 92 -4.692 6.973 -4.906 710 2HB ASP 92 HB1 ASP 92 -5.242 7.654 -3.379 711 H LEU 93 HN LEU 93 -6.811 8.574 -2.612 712 HA LEU 93 HA LEU 93 -8.433 7.298 -0.891 713 1HB LEU 93 HB2 LEU 93 -7.256 9.373 -0.370 714 2HB LEU 93 HB1 LEU 93 -8.393 10.279 -1.349 715 HG LEU 93 HG LEU 93 -10.208 9.672 0.201 716 1HD1 LEU 93 1HD1 LEU 93 -8.059 8.013 1.371 717 2HD1 LEU 93 2HD1 LEU 93 -9.795 7.720 1.272 718 3HD1 LEU 93 3HD1 LEU 93 -9.154 8.813 2.498 719 1HD2 LEU 93 1HD2 LEU 93 -9.006 10.838 2.275 720 2HD2 LEU 93 2HD2 LEU 93 -9.463 11.724 0.820 721 3HD2 LEU 93 3HD2 LEU 93 -7.800 11.179 1.034 722 H LEU 94 HN LEU 94 -9.826 10.034 -2.704 723 HA LEU 94 HA LEU 94 -12.475 9.475 -2.220 724 1HB LEU 94 HB2 LEU 94 -11.553 11.538 -3.276 725 2HB LEU 94 HB1 LEU 94 -11.369 10.645 -4.772 726 HG LEU 94 HG LEU 94 -13.375 12.092 -4.736 727 1HD1 LEU 94 1HD1 LEU 94 -14.590 10.651 -5.985 728 2HD1 LEU 94 2HD1 LEU 94 -14.517 9.368 -4.778 729 3HD1 LEU 94 3HD1 LEU 94 -13.135 9.667 -5.832 730 1HD2 LEU 94 1HD2 LEU 94 -14.933 12.043 -3.125 731 2HD2 LEU 94 2HD2 LEU 94 -13.673 11.272 -2.162 732 3HD2 LEU 94 3HD2 LEU 94 -14.880 10.286 -2.986 733 H GLN 95 HN GLN 95 -10.470 8.284 -4.897 734 HA GLN 95 HA GLN 95 -12.551 6.892 -6.214 735 1HB GLN 95 HB2 GLN 95 -10.486 7.509 -7.354 736 2HB GLN 95 HB1 GLN 95 -9.558 6.463 -6.295 737 1HG GLN 95 HG2 GLN 95 -11.739 5.417 -8.069 738 2HG GLN 95 HG1 GLN 95 -10.087 5.621 -8.635 739 H LEU 96 HN LEU 96 -10.120 5.895 -3.858 740 HA LEU 96 HA LEU 96 -10.611 3.167 -3.787 741 1HB LEU 96 HB2 LEU 96 -8.753 4.283 -2.615 742 2HB LEU 96 HB1 LEU 96 -9.895 4.979 -1.479 743 HG LEU 96 HG LEU 96 -10.529 2.455 -1.065 744 1HD1 LEU 96 1HD1 LEU 96 -7.742 2.313 -2.181 745 2HD1 LEU 96 2HD1 LEU 96 -9.173 1.438 -2.723 746 3HD1 LEU 96 3HD1 LEU 96 -8.451 1.064 -1.157 747 1HD2 LEU 96 1HD2 LEU 96 -8.344 4.129 0.054 748 2HD2 LEU 96 2HD2 LEU 96 -8.485 2.455 0.592 749 3HD2 LEU 96 3HD2 LEU 96 -9.841 3.566 0.801 750 H VAL 97 HN VAL 97 -12.058 5.732 -1.802 751 HA VAL 97 HA VAL 97 -13.705 4.279 -0.186 752 HB VAL 97 HB VAL 97 -14.467 6.883 -1.517 753 1HG1 VAL 97 1HG1 VAL 97 -16.247 6.986 -0.176 754 2HG1 VAL 97 2HG1 VAL 97 -15.321 6.458 1.229 755 3HG1 VAL 97 3HG1 VAL 97 -15.994 5.266 0.118 756 1HG2 VAL 97 1HG2 VAL 97 -12.975 7.957 -0.255 757 2HG2 VAL 97 2HG2 VAL 97 -12.248 6.382 0.062 758 3HG2 VAL 97 3HG2 VAL 97 -13.430 7.051 1.187 759 H GLU 98 HN GLU 98 -14.911 5.804 -3.187 760 HA GLU 98 HA GLU 98 -17.278 4.239 -3.242 761 1HB GLU 98 HB2 GLU 98 -17.132 6.443 -4.294 762 2HB GLU 98 HB1 GLU 98 -15.956 5.827 -5.446 763 1HG GLU 98 HG2 GLU 98 -17.634 4.305 -6.353 764 2HG GLU 98 HG1 GLU 98 -18.814 4.916 -5.195 765 H PHE 99 HN PHE 99 -14.348 4.076 -5.282 766 HA PHE 99 HA PHE 99 -15.248 1.796 -6.689 767 1HB PHE 99 HB2 PHE 99 -12.463 2.920 -6.382 768 2HB PHE 99 HB1 PHE 99 -12.883 1.598 -7.460 769 HD1 PHE 99 HD1 PHE 99 -13.030 2.176 -9.646 770 HD2 PHE 99 HD2 PHE 99 -14.267 5.001 -6.715 771 HE1 PHE 99 HE1 PHE 99 -13.599 3.773 -11.428 772 HE2 PHE 99 HE2 PHE 99 -14.843 6.599 -8.489 773 HZ PHE 99 HZ PHE 99 -14.509 5.986 -10.851 774 H HIS 100 HN HIS 100 -14.281 2.009 -3.489 775 HA HIS 100 HA HIS 100 -12.625 -0.121 -2.983 776 1HB HIS 100 HB2 HIS 100 -13.551 -0.240 -0.797 777 2HB HIS 100 HB1 HIS 100 -13.730 1.440 -1.280 778 HD1 HIS 100 HD1 HIS 100 -16.311 1.535 -2.744 779 HD2 HIS 100 HD2 HIS 100 -15.767 -0.886 0.588 780 HE1 HIS 100 HE1 HIS 100 -18.618 1.102 -1.844 781 HE2 HIS 100 HE2 HIS 100 -18.256 -0.287 0.227 782 H GLN 101 HN GLN 101 -15.967 -0.117 -3.925 783 HA GLN 101 HA GLN 101 -16.541 -2.842 -3.458 784 1HB GLN 101 HB2 GLN 101 -18.444 -2.406 -5.061 785 2HB GLN 101 HB1 GLN 101 -18.366 -1.336 -3.669 786 1HG GLN 101 HG2 GLN 101 -17.111 0.272 -5.215 787 2HG GLN 101 HG1 GLN 101 -17.694 -0.743 -6.527 788 H LEU 102 HN LEU 102 -15.557 -1.087 -6.402 789 HA LEU 102 HA LEU 102 -14.416 -3.571 -7.419 790 1HB LEU 102 HB2 LEU 102 -16.461 -1.928 -8.903 791 2HB LEU 102 HB1 LEU 102 -15.395 -3.067 -9.699 792 HG LEU 102 HG LEU 102 -17.480 -4.153 -9.411 793 1HD1 LEU 102 1HD1 LEU 102 -16.586 -6.075 -8.758 794 2HD1 LEU 102 2HD1 LEU 102 -16.333 -5.492 -7.113 795 3HD1 LEU 102 3HD1 LEU 102 -15.133 -5.159 -8.362 796 1HD2 LEU 102 1HD2 LEU 102 -17.724 -2.559 -7.126 797 2HD2 LEU 102 2HD2 LEU 102 -17.743 -4.224 -6.552 798 3HD2 LEU 102 3HD2 LEU 102 -18.901 -3.700 -7.773 799 H ASN 103 HN ASN 103 -12.555 -2.138 -6.679 800 HA ASN 103 HA ASN 103 -11.857 -0.166 -8.749 801 1HB ASN 103 HB2 ASN 103 -10.347 0.849 -7.210 802 2HB ASN 103 HB1 ASN 103 -11.847 0.577 -6.347 803 1HD2 ASN 103 1HD2 ASN 103 -10.812 -2.435 -6.381 804 2HD2 ASN 103 2HD2 ASN 103 -9.794 -2.450 -4.993 805 H ARG 104 HN ARG 104 -9.037 -0.180 -8.201 806 HA ARG 104 HA ARG 104 -8.332 -2.650 -9.607 807 1HB ARG 104 HB2 ARG 104 -6.894 -0.011 -9.311 808 2HB ARG 104 HB1 ARG 104 -6.162 -1.426 -10.053 809 1HG ARG 104 HG2 ARG 104 -7.011 0.079 -11.743 810 2HG ARG 104 HG1 ARG 104 -7.913 -1.437 -11.760 811 1HD ARG 104 HD2 ARG 104 -9.746 -0.412 -10.578 812 2HD ARG 104 HD1 ARG 104 -8.830 1.080 -10.376 813 HE ARG 104 HE ARG 104 -9.013 0.514 -13.110 814 1HH1 ARG 104 HH11 ARG 104 -11.082 1.429 -10.453 815 2HH1 ARG 104 HH12 ARG 104 -12.214 2.266 -11.460 816 1HH2 ARG 104 HH21 ARG 104 -10.501 1.615 -14.436 817 2HH2 ARG 104 HH22 ARG 104 -11.885 2.372 -13.720 818 H GLY 105 HN GLY 105 -8.693 -3.586 -7.324 819 1HA GLY 105 HA2 GLY 105 -7.040 -3.183 -5.162 820 2HA GLY 105 HA1 GLY 105 -7.711 -4.747 -5.593 821 H ILE 106 HN ILE 106 -6.381 -6.313 -6.345 822 HA ILE 106 HA ILE 106 -3.521 -5.664 -6.450 823 HB ILE 106 HB ILE 106 -4.165 -7.425 -4.890 824 1HG1 ILE 106 2HG1 ILE 106 -2.682 -8.534 -7.285 825 2HG1 ILE 106 1HG1 ILE 106 -1.966 -7.572 -5.995 826 1HG2 ILE 106 1HG2 ILE 106 -5.268 -8.802 -7.331 827 2HG2 ILE 106 2HG2 ILE 106 -6.163 -8.250 -5.916 828 3HG2 ILE 106 3HG2 ILE 106 -5.022 -9.588 -5.770 829 1HD1 ILE 106 1HD1 ILE 106 -3.374 -10.139 -5.401 830 2HD1 ILE 106 2HD1 ILE 106 -2.156 -9.291 -4.451 831 3HD1 ILE 106 3HD1 ILE 106 -1.696 -10.119 -5.938 832 H LEU 107 HN LEU 107 -2.156 -6.689 -8.057 833 HA LEU 107 HA LEU 107 -2.531 -6.113 -10.598 834 1HB LEU 107 HB2 LEU 107 -1.201 -8.540 -9.461 835 2HB LEU 107 HB1 LEU 107 -1.143 -8.174 -11.180 836 HG LEU 107 HG LEU 107 -0.256 -6.188 -9.110 837 1HD1 LEU 107 1HD1 LEU 107 1.890 -7.028 -9.101 838 2HD1 LEU 107 2HD1 LEU 107 1.655 -7.941 -10.591 839 3HD1 LEU 107 3HD1 LEU 107 0.931 -8.507 -9.086 840 1HD2 LEU 107 1HD2 LEU 107 -0.545 -5.123 -11.158 841 2HD2 LEU 107 2HD2 LEU 107 0.011 -6.522 -12.073 842 3HD2 LEU 107 3HD2 LEU 107 1.164 -5.551 -11.165 843 HA PRO 108 HA PRO 108 -5.258 -9.382 -12.342 844 1HB PRO 108 HB2 PRO 108 -4.332 -11.753 -12.907 845 2HB PRO 108 HB1 PRO 108 -3.390 -10.343 -13.420 846 1HG PRO 108 HG2 PRO 108 -2.926 -12.195 -11.119 847 2HG PRO 108 HG1 PRO 108 -1.745 -11.434 -12.201 848 1HD PRO 108 HD2 PRO 108 -2.588 -10.498 -9.643 849 2HD PRO 108 HD1 PRO 108 -1.542 -9.674 -10.811 850 H CYS 109 HN CYS 109 -5.888 -9.366 -9.534 851 HA CYS 109 HA CYS 109 -7.324 -11.903 -9.405 852 1HB CYS 109 HB2 CYS 109 -5.786 -10.979 -6.980 853 2HB CYS 109 HB1 CYS 109 -6.600 -12.515 -7.236 854 HG CYS 109 HG CYS 109 -4.651 -13.773 -8.367 855 H LEU 110 HN LEU 110 -8.344 -11.661 -6.817 856 HA LEU 110 HA LEU 110 -10.616 -10.197 -7.125 857 1HB LEU 110 HB2 LEU 110 -9.123 -10.946 -4.632 858 2HB LEU 110 HB1 LEU 110 -10.630 -10.057 -4.549 859 HG LEU 110 HG LEU 110 -11.004 -12.435 -4.198 860 1HD1 LEU 110 1HD1 LEU 110 -12.481 -10.820 -5.752 861 2HD1 LEU 110 2HD1 LEU 110 -12.931 -12.481 -5.368 862 3HD1 LEU 110 3HD1 LEU 110 -12.140 -12.113 -6.901 863 1HD2 LEU 110 1HD2 LEU 110 -10.591 -14.071 -5.931 864 2HD2 LEU 110 2HD2 LEU 110 -9.084 -13.262 -5.500 865 3HD2 LEU 110 3HD2 LEU 110 -9.926 -12.825 -6.988 866 H LEU 111 HN LEU 111 -10.347 -8.196 -8.020 867 HA LEU 111 HA LEU 111 -8.607 -6.212 -7.023 868 1HB LEU 111 HB2 LEU 111 -9.664 -4.708 -8.536 869 2HB LEU 111 HB1 LEU 111 -9.510 -6.258 -9.326 870 HG LEU 111 HG LEU 111 -11.621 -5.306 -9.921 871 1HD1 LEU 111 1HD1 LEU 111 -11.546 -7.739 -9.502 872 2HD1 LEU 111 2HD1 LEU 111 -13.145 -7.030 -9.273 873 3HD1 LEU 111 3HD1 LEU 111 -12.155 -7.443 -7.874 874 1HD2 LEU 111 1HD2 LEU 111 -11.601 -4.106 -7.467 875 2HD2 LEU 111 2HD2 LEU 111 -12.864 -5.322 -7.282 876 3HD2 LEU 111 3HD2 LEU 111 -12.964 -4.136 -8.583 877 H ARG 112 HN ARG 112 -11.710 -7.266 -5.972 878 HA ARG 112 HA ARG 112 -12.514 -4.830 -4.708 879 1HB ARG 112 HB2 ARG 112 -13.432 -7.636 -4.070 880 2HB ARG 112 HB1 ARG 112 -14.280 -6.137 -3.716 881 1HG ARG 112 HG2 ARG 112 -14.529 -5.732 -6.129 882 2HG ARG 112 HG1 ARG 112 -13.734 -7.273 -6.450 883 1HD ARG 112 HD2 ARG 112 -16.158 -7.496 -6.583 884 2HD ARG 112 HD1 ARG 112 -15.506 -8.445 -5.248 885 HE ARG 112 HE ARG 112 -16.255 -5.937 -4.263 886 1HH1 ARG 112 HH11 ARG 112 -17.729 -8.807 -5.590 887 2HH1 ARG 112 HH12 ARG 112 -19.212 -8.599 -4.720 888 1HH2 ARG 112 HH21 ARG 112 -18.205 -5.660 -3.119 889 2HH2 ARG 112 HH22 ARG 112 -19.483 -6.812 -3.318 890 H HIS 113 HN HIS 113 -12.265 -4.167 -2.591 891 HA HIS 113 HA HIS 113 -10.986 -5.946 -0.686 892 1HB HIS 113 HB2 HIS 113 -9.156 -4.386 -0.184 893 2HB HIS 113 HB1 HIS 113 -9.074 -4.967 -1.845 894 HD1 HIS 113 HD1 HIS 113 -10.871 -1.993 -0.263 895 HD2 HIS 113 HD2 HIS 113 -8.264 -2.907 -3.364 896 HE1 HIS 113 HE1 HIS 113 -10.446 0.181 -1.441 897 HE2 HIS 113 HE2 HIS 113 -8.939 -0.413 -3.370 898 H CYS 114 HN CYS 114 -10.614 -4.760 1.465 899 HA CYS 114 HA CYS 114 -12.602 -2.668 1.930 900 1HB CYS 114 HB2 CYS 114 -13.791 -4.736 2.402 901 2HB CYS 114 HB1 CYS 114 -12.494 -5.272 3.468 902 HG CYS 114 HG CYS 114 -14.316 -4.595 5.292 903 H CYS 115 HN CYS 115 -10.936 -4.642 4.350 904 HA CYS 115 HA CYS 115 -9.068 -2.452 4.903 905 1HB CYS 115 HB2 CYS 115 -10.832 -3.735 7.003 906 2HB CYS 115 HB1 CYS 115 -9.573 -2.545 7.309 907 HG CYS 115 HG CYS 115 -10.856 -0.404 6.367 908 H THR 116 HN THR 116 -7.961 -3.526 7.255 909 HA THR 116 HA THR 116 -6.997 -6.164 6.360 910 HB THR 116 HB THR 116 -5.367 -3.885 7.489 911 HG1 THR 116 HG1 THR 116 -4.267 -4.149 5.484 912 1HG2 THR 116 1HG2 THR 116 -4.545 -6.721 6.934 913 2HG2 THR 116 2HG2 THR 116 -4.430 -5.838 8.456 914 3HG2 THR 116 3HG2 THR 116 -3.410 -5.381 7.092 915 H ARG 117 HN ARG 117 -5.992 -7.472 8.115 916 HA ARG 117 HA ARG 117 -7.331 -6.925 10.688 917 1HB ARG 117 HB2 ARG 117 -8.277 -8.873 9.534 918 2HB ARG 117 HB1 ARG 117 -6.681 -9.604 9.447 919 1HG ARG 117 HG2 ARG 117 -6.592 -9.745 11.873 920 2HG ARG 117 HG1 ARG 117 -8.170 -8.964 11.986 921 1HD ARG 117 HD2 ARG 117 -8.382 -11.374 12.239 922 2HD ARG 117 HD1 ARG 117 -9.177 -10.830 10.762 923 HE ARG 117 HE ARG 117 -6.561 -11.590 10.128 924 1HH1 ARG 117 HH11 ARG 117 -9.549 -13.032 11.208 925 2HH1 ARG 117 HH12 ARG 117 -9.220 -14.566 10.474 926 1HH2 ARG 117 HH21 ARG 117 -6.127 -13.606 9.161 927 2HH2 ARG 117 HH22 ARG 117 -7.278 -14.892 9.312 928 H VAL 118 HN VAL 118 -5.591 -5.839 11.604 929 HA VAL 118 HA VAL 118 -3.406 -7.588 12.441 930 HB VAL 118 HB VAL 118 -1.825 -5.582 12.157 931 1HG1 VAL 118 1HG1 VAL 118 -1.817 -6.195 9.528 932 2HG1 VAL 118 2HG1 VAL 118 -2.794 -7.520 10.158 933 3HG1 VAL 118 3HG1 VAL 118 -1.167 -7.251 10.782 934 1HG2 VAL 118 1HG2 VAL 118 -2.805 -4.496 9.826 935 2HG2 VAL 118 2HG2 VAL 118 -2.796 -3.714 11.405 936 3HG2 VAL 118 3HG2 VAL 118 -4.233 -4.576 10.859 937 H ALA 119 HN ALA 119 -4.192 -4.117 12.801 938 HA ALA 119 HA ALA 119 -3.592 -4.229 15.607 939 1HB ALA 119 HB1 ALA 119 -4.503 -2.028 13.789 940 2HB ALA 119 HB2 ALA 119 -2.924 -2.243 14.543 941 3HB ALA 119 HB3 ALA 119 -4.319 -1.804 15.528 942 H LEU 120 HN LEU 120 -6.367 -2.575 14.283 943 HA LEU 120 HA LEU 120 -8.024 -3.694 16.408 944 1HB LEU 120 HB2 LEU 120 -8.596 -1.478 14.438 945 2HB LEU 120 HB1 LEU 120 -9.650 -1.964 15.752 946 HG LEU 120 HG LEU 120 -6.898 -0.759 16.044 947 1HD1 LEU 120 1HD1 LEU 120 -9.144 0.565 15.396 948 2HD1 LEU 120 2HD1 LEU 120 -7.865 1.247 16.401 949 3HD1 LEU 120 3HD1 LEU 120 -9.298 0.544 17.152 950 1HD2 LEU 120 1HD2 LEU 120 -7.463 -0.687 18.453 951 2HD2 LEU 120 2HD2 LEU 120 -7.289 -2.327 17.828 952 3HD2 LEU 120 3HD2 LEU 120 -8.896 -1.658 18.114 953 HA PRO1135 HA PRO1135 17.656 -4.563 -11.622 954 1HB PRO1135 HB2 PRO1135 16.566 -2.335 -9.966 955 2HB PRO1135 HB1 PRO1135 17.404 -2.275 -11.521 956 1HG PRO1135 HG2 PRO1135 14.768 -1.932 -11.388 957 2HG PRO1135 HG1 PRO1135 15.501 -2.847 -12.719 958 1HD PRO1135 HD2 PRO1135 14.012 -3.837 -10.330 959 2HD PRO1135 HD1 PRO1135 14.047 -4.476 -11.986 960 H GLN1136 HN GLN1136 16.326 -3.605 -8.452 961 HA GLN1136 HA GLN1136 18.280 -5.176 -7.047 962 1HB GLN1136 HB2 GLN1136 18.453 -2.163 -6.902 963 2HB GLN1136 HB1 GLN1136 19.312 -3.275 -5.851 964 1HG GLN1136 HG2 GLN1136 20.486 -4.189 -7.799 965 2HG GLN1136 HG1 GLN1136 19.645 -3.034 -8.832 966 HA PRO1137 HA PRO1137 15.338 -3.041 -3.878 967 1HB PRO1137 HB2 PRO1137 13.376 -1.564 -5.464 968 2HB PRO1137 HB1 PRO1137 14.358 -1.012 -4.108 969 1HG PRO1137 HG2 PRO1137 14.783 -0.162 -6.633 970 2HG PRO1137 HG1 PRO1137 16.100 -0.361 -5.462 971 1HD PRO1137 HD2 PRO1137 15.248 -2.182 -7.686 972 2HD PRO1137 HD1 PRO1137 16.883 -1.709 -7.185 973 H GLU1138 HN GLU1138 12.406 -2.709 -4.310 974 HA GLU1138 HA GLU1138 11.648 -5.254 -5.530 975 1HB GLU1138 HB2 GLU1138 10.590 -4.745 -2.790 976 2HB GLU1138 HB1 GLU1138 10.861 -6.269 -3.618 977 1HG GLU1138 HG2 GLU1138 13.281 -5.991 -3.295 978 2HG GLU1138 HG1 GLU1138 12.966 -4.495 -2.412 979 2HN PTR1139 HN PTR1139 10.179 -2.983 -3.266 980 2HN PTR1139 HN PTR1139 10.179 -2.983 -3.266 981 HA PTR1139 HA PTR1139 7.902 -2.432 -3.274 982 HA PTR1139 HA PTR1139 7.902 -2.432 -3.274 983 1HB PTR1139 HB1 PTR1139 7.970 -0.227 -4.716 984 1HB PTR1139 HB1 PTR1139 7.970 -0.227 -4.716 985 2HB PTR1139 HB2 PTR1139 9.676 -0.623 -4.765 986 2HB PTR1139 HB2 PTR1139 9.676 -0.623 -4.765 987 HD1 PTR1139 HD1 PTR1139 6.852 0.209 -2.625 988 HD1 PTR1139 HD1 PTR1139 6.852 0.209 -2.625 989 HD2 PTR1139 HD2 PTR1139 11.040 -0.463 -2.748 990 HD2 PTR1139 HD2 PTR1139 11.040 -0.463 -2.748 991 HE1 PTR1139 HE1 PTR1139 7.063 1.130 -0.356 992 HE1 PTR1139 HE1 PTR1139 7.063 1.130 -0.356 993 HE2 PTR1139 HE2 PTR1139 11.262 0.505 -0.444 994 HE2 PTR1139 HE2 PTR1139 11.262 0.505 -0.444 995 H VAL1140 HN VAL1140 7.030 -0.791 -5.674 996 HA VAL1140 HA VAL1140 6.285 -2.613 -7.738 997 HB VAL1140 HB VAL1140 4.054 -1.774 -5.847 998 1HG1 VAL1140 1HG1 VAL1140 3.132 -1.822 -8.001 999 2HG1 VAL1140 2HG1 VAL1140 2.721 -3.396 -7.314 1000 3HG1 VAL1140 3HG1 VAL1140 4.056 -3.253 -8.458 1001 1HG2 VAL1140 1HG2 VAL1140 5.229 -3.568 -4.784 1002 2HG2 VAL1140 2HG2 VAL1140 5.286 -4.490 -6.285 1003 3HG2 VAL1140 3HG2 VAL1140 3.745 -4.230 -5.468 1004 H ASN1141 HN ASN1141 4.934 -1.653 -9.275 1005 HA ASN1141 HA ASN1141 4.109 0.130 -10.535 1006 1HB ASN1141 HB2 ASN1141 5.578 2.055 -8.705 1007 2HB ASN1141 HB1 ASN1141 4.329 2.425 -9.874 1008 1HD2 ASN1141 1HD2 ASN1141 4.885 2.511 -6.771 1009 2HD2 ASN1141 2HD2 ASN1141 3.325 2.217 -6.126 1010 H GLN1142 HN GLN1142 6.945 -0.373 -8.797 1011 HA GLN1142 HA GLN1142 8.638 -1.116 -10.772 1012 1HB GLN1142 HB2 GLN1142 8.694 1.752 -10.024 1013 2HB GLN1142 HB1 GLN1142 10.242 0.954 -10.104 1014 1HG GLN1142 HG2 GLN1142 10.087 0.609 -12.396 1015 2HG GLN1142 HG1 GLN1142 8.338 0.791 -12.406 1016 HA PRO1143 HA PRO1143 10.662 -2.470 -7.099 1017 1HB PRO1143 HB2 PRO1143 13.295 -1.572 -7.281 1018 2HB PRO1143 HB1 PRO1143 12.695 -3.057 -8.022 1019 1HG PRO1143 HG2 PRO1143 13.163 -0.376 -9.242 1020 2HG PRO1143 HG1 PRO1143 13.411 -1.986 -9.938 1021 1HD PRO1143 HD2 PRO1143 11.288 -0.443 -10.581 1022 2HD PRO1143 HD1 PRO1143 11.189 -2.214 -10.522 1023 H ASP1144 HN ASP1144 10.351 0.689 -7.990 1024 HA ASP1144 HA ASP1144 9.363 1.977 -6.160 1025 1HB ASP1144 HB2 ASP1144 10.872 2.788 -4.394 1026 2HB ASP1144 HB1 ASP1144 10.761 1.033 -4.358 Start of MODEL 2 1 1H GLY 1 HT1 GLY 1 24.377 4.513 -4.879 2 2H GLY 1 HT2 GLY 1 25.932 5.160 -5.033 3 3H GLY 1 HT3 GLY 1 24.608 6.189 -4.816 4 1HA GLY 1 HA1 GLY 1 24.955 4.187 -2.753 5 2HA GLY 1 HA2 GLY 1 26.227 5.395 -2.841 6 H SER 2 HN SER 2 22.853 4.815 -2.202 7 HA SER 2 HA SER 2 22.755 7.244 -0.629 8 1HB SER 2 HB2 SER 2 22.001 8.142 -2.714 9 2HB SER 2 HB1 SER 2 20.896 6.796 -2.970 10 HG SER 2 HG SER 2 20.222 9.009 -1.949 11 HA PRO 3 HA PRO 3 18.764 4.655 0.405 12 1HB PRO 3 HB2 PRO 3 18.671 2.187 -0.835 13 2HB PRO 3 HB1 PRO 3 17.772 3.612 -1.362 14 1HG PRO 3 HG2 PRO 3 20.361 2.519 -2.385 15 2HG PRO 3 HG1 PRO 3 18.991 3.191 -3.290 16 1HD PRO 3 HD2 PRO 3 21.199 4.633 -2.865 17 2HD PRO 3 HD1 PRO 3 19.591 5.383 -2.812 18 H ALA 4 HN ALA 4 20.215 4.607 2.227 19 HA ALA 4 HA ALA 4 21.567 2.020 2.624 20 1HB ALA 4 HB1 ALA 4 22.680 4.462 2.839 21 2HB ALA 4 HB2 ALA 4 23.223 3.055 3.753 22 3HB ALA 4 HB3 ALA 4 22.133 4.224 4.499 23 H SER 5 HN SER 5 20.718 0.642 4.034 24 HA SER 5 HA SER 5 18.680 1.635 5.906 25 1HB SER 5 HB2 SER 5 17.867 -0.051 4.327 26 2HB SER 5 HB1 SER 5 19.133 -1.165 4.843 27 HG SER 5 HG SER 5 18.182 -1.243 6.880 28 H GLY 6 HN GLY 6 18.915 1.396 8.060 29 1HA GLY 6 HA2 GLY 6 20.437 -0.548 9.369 30 2HA GLY 6 HA1 GLY 6 21.466 0.857 9.142 31 H THR 7 HN THR 7 17.989 0.864 9.746 32 HA THR 7 HA THR 7 18.383 1.673 12.507 33 HB THR 7 HB THR 7 18.593 3.791 11.324 34 HG1 THR 7 HG1 THR 7 17.491 3.917 13.262 35 1HG2 THR 7 1HG2 THR 7 15.968 3.053 10.074 36 2HG2 THR 7 2HG2 THR 7 17.481 3.479 9.273 37 3HG2 THR 7 3HG2 THR 7 16.570 4.709 10.149 38 H SER 8 HN SER 8 16.269 1.971 13.639 39 HA SER 8 HA SER 8 13.971 0.738 12.360 40 1HB SER 8 HB2 SER 8 15.192 -1.202 13.222 41 2HB SER 8 HB1 SER 8 15.257 -0.468 14.823 42 HG SER 8 HG SER 8 13.540 -1.860 14.824 43 H LEU 9 HN LEU 9 12.542 2.320 12.732 44 HA LEU 9 HA LEU 9 12.120 3.142 15.523 45 1HB LEU 9 HB2 LEU 9 12.060 4.963 13.115 46 2HB LEU 9 HB1 LEU 9 11.623 5.428 14.748 47 HG LEU 9 HG LEU 9 14.369 4.575 13.828 48 1HD1 LEU 9 1HD1 LEU 9 14.324 6.706 13.075 49 2HD1 LEU 9 2HD1 LEU 9 14.677 7.060 14.766 50 3HD1 LEU 9 3HD1 LEU 9 13.024 7.183 14.166 51 1HD2 LEU 9 1HD2 LEU 9 13.166 4.952 16.498 52 2HD2 LEU 9 2HD2 LEU 9 14.755 5.674 16.245 53 3HD2 LEU 9 3HD2 LEU 9 14.522 3.944 15.993 54 H SER 10 HN SER 10 9.934 4.484 15.568 55 HA SER 10 HA SER 10 7.937 3.403 13.756 56 1HB SER 10 HB2 SER 10 8.071 1.671 15.481 57 2HB SER 10 HB1 SER 10 7.826 2.884 16.738 58 HG SER 10 HG SER 10 5.968 1.538 15.596 59 H ALA 11 HN ALA 11 5.674 4.238 14.510 60 HA ALA 11 HA ALA 11 5.801 6.810 15.861 61 1HB ALA 11 HB1 ALA 11 5.470 6.508 12.941 62 2HB ALA 11 HB2 ALA 11 6.143 7.842 13.877 63 3HB ALA 11 HB3 ALA 11 4.394 7.653 13.743 64 H ALA 12 HN ALA 12 3.468 7.849 15.679 65 HA ALA 12 HA ALA 12 1.379 5.815 15.716 66 1HB ALA 12 HB1 ALA 12 1.959 7.554 18.110 67 2HB ALA 12 HB2 ALA 12 2.233 5.815 18.001 68 3HB ALA 12 HB3 ALA 12 0.591 6.456 17.936 69 H ILE 13 HN ILE 13 0.950 7.158 13.770 70 HA ILE 13 HA ILE 13 0.013 9.849 14.141 71 HB ILE 13 HB ILE 13 1.036 9.183 12.025 72 1HG1 ILE 13 2HG1 ILE 13 -1.896 9.875 11.725 73 2HG1 ILE 13 1HG1 ILE 13 -0.598 11.024 12.028 74 1HG2 ILE 13 1HG2 ILE 13 -1.000 7.072 12.166 75 2HG2 ILE 13 2HG2 ILE 13 0.591 7.071 11.405 76 3HG2 ILE 13 3HG2 ILE 13 -0.783 7.797 10.572 77 1HD1 ILE 13 1HD1 ILE 13 -1.135 9.428 9.551 78 2HD1 ILE 13 2HD1 ILE 13 0.417 10.210 9.849 79 3HD1 ILE 13 3HD1 ILE 13 -1.053 11.179 9.740 80 H HIS 14 HN HIS 14 -1.359 6.737 14.468 81 HA HIS 14 HA HIS 14 -4.031 7.246 13.757 82 1HB HIS 14 HB2 HIS 14 -2.879 5.307 15.769 83 2HB HIS 14 HB1 HIS 14 -4.558 5.308 15.244 84 HD1 HIS 14 HD1 HIS 14 -1.147 5.126 13.532 85 HD2 HIS 14 HD2 HIS 14 -4.979 3.548 13.268 86 HE1 HIS 14 HE1 HIS 14 -1.061 3.472 11.643 87 HE2 HIS 14 HE2 HIS 14 -3.345 2.412 11.617 88 H ARG 15 HN ARG 15 -5.366 8.696 14.617 89 HA ARG 15 HA ARG 15 -5.246 9.130 17.506 90 1HB ARG 15 HB2 ARG 15 -5.808 11.508 17.157 91 2HB ARG 15 HB1 ARG 15 -4.250 11.065 16.466 92 1HG ARG 15 HG2 ARG 15 -5.225 10.963 14.247 93 2HG ARG 15 HG1 ARG 15 -6.826 11.284 14.906 94 1HD ARG 15 HD2 ARG 15 -4.463 13.168 14.801 95 2HD ARG 15 HD1 ARG 15 -6.002 13.312 13.958 96 HE ARG 15 HE ARG 15 -6.540 13.246 16.693 97 1HH1 ARG 15 HH11 ARG 15 -4.958 15.317 14.372 98 2HH1 ARG 15 HH12 ARG 15 -5.297 16.770 15.250 99 1HH2 ARG 15 HH21 ARG 15 -6.988 15.156 17.849 100 2HH2 ARG 15 HH22 ARG 15 -6.449 16.680 17.224 101 H THR 16 HN THR 16 -7.054 8.137 15.019 102 HA THR 16 HA THR 16 -9.495 8.324 16.598 103 HB THR 16 HB THR 16 -10.834 8.883 14.574 104 HG1 THR 16 HG1 THR 16 -8.346 9.543 13.403 105 1HG2 THR 16 1HG2 THR 16 -10.194 11.254 14.387 106 2HG2 THR 16 2HG2 THR 16 -8.741 10.906 15.324 107 3HG2 THR 16 3HG2 THR 16 -10.332 10.699 16.056 108 H GLN 17 HN GLN 17 -9.210 7.294 13.231 109 HA GLN 17 HA GLN 17 -9.110 4.498 13.996 110 1HB GLN 17 HB2 GLN 17 -11.160 3.954 12.679 111 2HB GLN 17 HB1 GLN 17 -11.470 4.859 14.152 112 1HG GLN 17 HG2 GLN 17 -12.855 5.718 12.407 113 2HG GLN 17 HG1 GLN 17 -11.633 6.923 12.804 114 H LEU 18 HN LEU 18 -7.587 6.546 12.336 115 HA LEU 18 HA LEU 18 -7.832 5.710 9.619 116 1HB LEU 18 HB2 LEU 18 -5.666 7.213 11.077 117 2HB LEU 18 HB1 LEU 18 -5.605 6.873 9.360 118 HG LEU 18 HG LEU 18 -6.376 9.140 9.747 119 1HD1 LEU 18 1HD1 LEU 18 -8.601 7.344 8.792 120 2HD1 LEU 18 2HD1 LEU 18 -7.259 7.943 7.815 121 3HD1 LEU 18 3HD1 LEU 18 -8.449 9.071 8.465 122 1HD2 LEU 18 1HD2 LEU 18 -8.227 9.715 11.039 123 2HD2 LEU 18 2HD2 LEU 18 -7.394 8.504 12.014 124 3HD2 LEU 18 3HD2 LEU 18 -8.827 8.057 11.086 125 H TRP 19 HN TRP 19 -5.705 4.947 8.482 126 HA TRP 19 HA TRP 19 -4.379 2.867 10.046 127 1HB TRP 19 HB2 TRP 19 -4.739 1.465 7.785 128 2HB TRP 19 HB1 TRP 19 -5.828 1.371 9.160 129 HD1 TRP 19 HD1 TRP 19 -8.246 1.407 8.423 130 HE1 TRP 19 HE1 TRP 19 -9.612 2.507 6.543 131 HE3 TRP 19 HE3 TRP 19 -4.488 3.950 6.048 132 HZ2 TRP 19 HZ2 TRP 19 -9.164 4.214 4.350 133 HZ3 TRP 19 HZ3 TRP 19 -5.048 5.287 4.064 134 HH2 TRP 19 HH2 TRP 19 -7.338 5.416 3.233 135 H PHE 20 HN PHE 20 -2.962 4.965 9.600 136 HA PHE 20 HA PHE 20 -1.352 4.405 7.201 137 1HB PHE 20 HB2 PHE 20 -1.644 7.034 8.664 138 2HB PHE 20 HB1 PHE 20 -0.630 6.756 7.254 139 HD1 PHE 20 HD1 PHE 20 -1.455 7.573 5.293 140 HD2 PHE 20 HD2 PHE 20 -4.187 6.149 8.227 141 HE1 PHE 20 HE1 PHE 20 -3.337 8.178 3.828 142 HE2 PHE 20 HE2 PHE 20 -6.074 6.745 6.766 143 HZ PHE 20 HZ PHE 20 -5.651 7.761 4.563 144 H HIS 21 HN HIS 21 0.784 4.035 7.408 145 HA HIS 21 HA HIS 21 2.094 4.553 9.986 146 1HB HIS 21 HB2 HIS 21 1.157 2.136 9.747 147 2HB HIS 21 HB1 HIS 21 2.481 1.898 8.616 148 HD1 HIS 21 HD1 HIS 21 3.118 0.061 10.535 149 HD2 HIS 21 HD2 HIS 21 3.639 4.066 11.513 150 HE1 HIS 21 HE1 HIS 21 4.634 0.071 12.541 151 HE2 HIS 21 HE2 HIS 21 4.870 2.501 13.163 152 H GLY 22 HN GLY 22 4.592 4.138 9.730 153 1HA GLY 22 HA2 GLY 22 5.360 5.278 7.156 154 2HA GLY 22 HA1 GLY 22 6.306 5.323 8.635 155 H ARG 23 HN ARG 23 8.116 4.263 8.325 156 HA ARG 23 HA ARG 23 8.496 2.283 6.364 157 1HB ARG 23 HB2 ARG 23 10.199 3.853 7.416 158 2HB ARG 23 HB1 ARG 23 10.293 2.699 8.730 159 1HG ARG 23 HG2 ARG 23 10.871 2.077 5.840 160 2HG ARG 23 HG1 ARG 23 12.087 2.425 7.067 161 1HD ARG 23 HD2 ARG 23 11.213 0.474 8.367 162 2HD ARG 23 HD1 ARG 23 10.179 0.093 6.990 163 HE ARG 23 HE ARG 23 11.977 -0.880 6.009 164 1HH1 ARG 23 HH11 ARG 23 13.155 1.448 8.330 165 2HH1 ARG 23 HH12 ARG 23 14.822 1.092 8.027 166 1HH2 ARG 23 HH21 ARG 23 14.169 -1.352 5.615 167 2HH2 ARG 23 HH22 ARG 23 15.398 -0.499 6.488 168 H ILE 24 HN ILE 24 7.334 0.468 6.530 169 HA ILE 24 HA ILE 24 7.916 -1.231 8.867 170 HB ILE 24 HB ILE 24 5.491 -0.561 8.783 171 1HG1 ILE 24 2HG1 ILE 24 6.100 -3.496 8.370 172 2HG1 ILE 24 1HG1 ILE 24 6.226 -2.624 9.894 173 1HG2 ILE 24 1HG2 ILE 24 4.047 -1.458 7.094 174 2HG2 ILE 24 2HG2 ILE 24 5.391 -2.295 6.322 175 3HG2 ILE 24 3HG2 ILE 24 5.323 -0.533 6.302 176 1HD1 ILE 24 1HD1 ILE 24 4.183 -4.004 9.680 177 2HD1 ILE 24 2HD1 ILE 24 3.670 -2.968 8.348 178 3HD1 ILE 24 3HD1 ILE 24 3.858 -2.294 9.967 179 H SER 25 HN SER 25 9.230 -2.833 8.257 180 HA SER 25 HA SER 25 10.290 -3.407 5.888 181 1HB SER 25 HB2 SER 25 10.946 -4.605 7.894 182 2HB SER 25 HB1 SER 25 9.416 -5.480 7.910 183 HG SER 25 HG SER 25 11.215 -5.601 5.729 184 H ARG 26 HN ARG 26 8.999 -3.148 4.086 185 HA ARG 26 HA ARG 26 6.493 -4.253 3.669 186 1HB ARG 26 HB2 ARG 26 6.813 -3.862 1.295 187 2HB ARG 26 HB1 ARG 26 7.445 -2.509 2.204 188 1HG ARG 26 HG2 ARG 26 9.190 -4.715 1.150 189 2HG ARG 26 HG1 ARG 26 8.791 -3.270 0.222 190 1HD ARG 26 HD2 ARG 26 9.586 -2.160 2.547 191 2HD ARG 26 HD1 ARG 26 10.588 -3.608 2.529 192 HE ARG 26 HE ARG 26 10.790 -2.444 0.010 193 1HH1 ARG 26 HH11 ARG 26 11.600 -1.665 3.319 194 2HH1 ARG 26 HH12 ARG 26 12.908 -0.618 2.883 195 1HH2 ARG 26 HH21 ARG 26 12.499 -1.054 -0.559 196 2HH2 ARG 26 HH22 ARG 26 13.418 -0.271 0.683 197 H GLU 27 HN GLU 27 9.664 -5.624 2.828 198 HA GLU 27 HA GLU 27 8.701 -7.973 1.631 199 1HB GLU 27 HB2 GLU 27 11.301 -7.402 3.054 200 2HB GLU 27 HB1 GLU 27 10.976 -8.898 2.189 201 1HG GLU 27 HG2 GLU 27 10.948 -6.147 0.971 202 2HG GLU 27 HG1 GLU 27 12.276 -7.302 0.861 203 H GLU 28 HN GLU 28 9.427 -7.202 4.999 204 HA GLU 28 HA GLU 28 8.911 -9.891 5.891 205 1HB GLU 28 HB2 GLU 28 10.522 -8.468 7.072 206 2HB GLU 28 HB1 GLU 28 9.237 -7.336 7.467 207 1HG GLU 28 HG2 GLU 28 8.125 -9.052 8.797 208 2HG GLU 28 HG1 GLU 28 9.409 -10.193 8.396 209 H SER 29 HN SER 29 7.078 -6.974 5.453 210 HA SER 29 HA SER 29 4.976 -7.353 7.222 211 1HB SER 29 HB2 SER 29 5.232 -5.307 5.911 212 2HB SER 29 HB1 SER 29 4.884 -6.194 4.428 213 HG SER 29 HG SER 29 3.045 -5.088 5.264 214 H GLN 30 HN GLN 30 5.279 -8.523 3.880 215 HA GLN 30 HA GLN 30 2.823 -9.858 3.759 216 1HB GLN 30 HB2 GLN 30 3.841 -11.135 1.892 217 2HB GLN 30 HB1 GLN 30 4.083 -9.401 1.756 218 1HG GLN 30 HG2 GLN 30 6.351 -9.704 2.699 219 2HG GLN 30 HG1 GLN 30 6.094 -11.444 2.654 220 H ARG 31 HN ARG 31 5.788 -10.738 5.311 221 HA ARG 31 HA ARG 31 5.248 -13.532 5.494 222 1HB ARG 31 HB2 ARG 31 7.523 -12.652 5.693 223 2HB ARG 31 HB1 ARG 31 7.072 -11.780 7.149 224 1HG ARG 31 HG2 ARG 31 8.286 -13.748 7.762 225 2HG ARG 31 HG1 ARG 31 6.603 -13.939 8.256 226 1HD ARG 31 HD2 ARG 31 7.705 -15.039 5.678 227 2HD ARG 31 HD1 ARG 31 7.680 -15.956 7.183 228 HE ARG 31 HE ARG 31 5.098 -15.035 6.737 229 1HH1 ARG 31 HH11 ARG 31 7.387 -17.179 5.212 230 2HH1 ARG 31 HH12 ARG 31 6.166 -18.199 4.528 231 1HH2 ARG 31 HH21 ARG 31 3.490 -16.374 5.840 232 2HH2 ARG 31 HH22 ARG 31 3.954 -17.741 4.883 233 H LEU 32 HN LEU 32 4.342 -10.727 7.358 234 HA LEU 32 HA LEU 32 3.214 -12.453 9.448 235 1HB LEU 32 HB2 LEU 32 3.787 -9.498 9.391 236 2HB LEU 32 HB1 LEU 32 2.875 -10.269 10.675 237 HG LEU 32 HG LEU 32 4.845 -11.683 11.190 238 1HD1 LEU 32 1HD1 LEU 32 5.972 -11.751 9.091 239 2HD1 LEU 32 2HD1 LEU 32 7.036 -10.950 10.246 240 3HD1 LEU 32 3HD1 LEU 32 6.142 -9.996 9.064 241 1HD2 LEU 32 1HD2 LEU 32 4.526 -9.732 12.514 242 2HD2 LEU 32 2HD2 LEU 32 5.195 -8.694 11.254 243 3HD2 LEU 32 3HD2 LEU 32 6.242 -9.822 12.116 244 H ILE 33 HN ILE 33 2.223 -9.419 7.825 245 HA ILE 33 HA ILE 33 -0.532 -9.867 8.372 246 HB ILE 33 HB ILE 33 0.763 -7.952 6.422 247 1HG1 ILE 33 2HG1 ILE 33 0.151 -6.268 8.178 248 2HG1 ILE 33 1HG1 ILE 33 -0.313 -7.600 9.230 249 1HG2 ILE 33 1HG2 ILE 33 -2.100 -8.223 7.314 250 2HG2 ILE 33 2HG2 ILE 33 -1.466 -8.268 5.670 251 3HG2 ILE 33 3HG2 ILE 33 -1.453 -6.757 6.579 252 1HD1 ILE 33 1HD1 ILE 33 2.438 -7.446 8.070 253 2HD1 ILE 33 2HD1 ILE 33 1.879 -8.302 9.506 254 3HD1 ILE 33 3HD1 ILE 33 2.001 -6.544 9.521 255 H GLY 34 HN GLY 34 1.496 -11.332 6.135 256 1HA GLY 34 HA2 GLY 34 -0.638 -11.681 4.159 257 2HA GLY 34 HA1 GLY 34 1.043 -12.162 3.962 258 H GLN 35 HN GLN 35 -0.668 -12.816 6.869 259 HA GLN 35 HA GLN 35 -0.807 -15.664 6.174 260 1HB GLN 35 HB2 GLN 35 -0.521 -16.189 8.496 261 2HB GLN 35 HB1 GLN 35 0.743 -15.047 8.066 262 1HG GLN 35 HG2 GLN 35 -0.005 -14.313 10.138 263 2HG GLN 35 HG1 GLN 35 -0.819 -13.250 8.992 264 H GLN 36 HN GLN 36 -2.564 -12.829 6.668 265 HA GLN 36 HA GLN 36 -4.783 -13.616 8.124 266 1HB GLN 36 HB2 GLN 36 -4.146 -11.500 6.254 267 2HB GLN 36 HB1 GLN 36 -5.819 -12.021 6.078 268 1HG GLN 36 HG2 GLN 36 -6.422 -11.049 7.978 269 2HG GLN 36 HG1 GLN 36 -5.066 -11.756 8.855 270 H GLY 37 HN GLY 37 -6.998 -14.106 7.287 271 1HA GLY 37 HA2 GLY 37 -6.786 -16.237 5.275 272 2HA GLY 37 HA1 GLY 37 -8.067 -16.075 6.472 273 H LEU 38 HN LEU 38 -7.677 -13.041 5.354 274 HA LEU 38 HA LEU 38 -10.016 -13.221 3.688 275 1HB LEU 38 HB2 LEU 38 -8.277 -10.893 4.480 276 2HB LEU 38 HB1 LEU 38 -9.734 -10.742 3.516 277 HG LEU 38 HG LEU 38 -10.214 -10.153 5.808 278 1HD1 LEU 38 1HD1 LEU 38 -11.928 -11.360 4.496 279 2HD1 LEU 38 2HD1 LEU 38 -12.074 -11.614 6.235 280 3HD1 LEU 38 3HD1 LEU 38 -11.370 -12.870 5.217 281 1HD2 LEU 38 1HD2 LEU 38 -9.771 -11.482 7.665 282 2HD2 LEU 38 2HD2 LEU 38 -8.317 -11.653 6.682 283 3HD2 LEU 38 3HD2 LEU 38 -9.530 -12.933 6.690 284 H VAL 39 HN VAL 39 -10.115 -12.183 1.555 285 HA VAL 39 HA VAL 39 -7.983 -13.130 -0.120 286 HB VAL 39 HB VAL 39 -9.388 -12.417 -1.996 287 1HG1 VAL 39 1HG1 VAL 39 -11.115 -14.024 -1.714 288 2HG1 VAL 39 2HG1 VAL 39 -11.063 -13.865 0.041 289 3HG1 VAL 39 3HG1 VAL 39 -9.716 -14.613 -0.817 290 1HG2 VAL 39 1HG2 VAL 39 -10.744 -10.937 0.140 291 2HG2 VAL 39 2HG2 VAL 39 -11.826 -11.764 -0.980 292 3HG2 VAL 39 3HG2 VAL 39 -10.646 -10.602 -1.588 293 H ASP 40 HN ASP 40 -7.728 -11.547 -2.183 294 HA ASP 40 HA ASP 40 -5.930 -9.554 -1.335 295 1HB ASP 40 HB2 ASP 40 -7.317 -9.616 -4.015 296 2HB ASP 40 HB1 ASP 40 -5.726 -8.969 -3.638 297 H GLY 41 HN GLY 41 -7.947 -8.978 0.182 298 1HA GLY 41 HA2 GLY 41 -9.055 -6.510 -1.052 299 2HA GLY 41 HA1 GLY 41 -10.080 -7.578 -0.098 300 H LEU 42 HN LEU 42 -7.338 -7.815 1.560 301 HA LEU 42 HA LEU 42 -8.141 -5.554 3.241 302 1HB LEU 42 HB2 LEU 42 -6.360 -7.886 3.946 303 2HB LEU 42 HB1 LEU 42 -6.856 -6.620 5.035 304 HG LEU 42 HG LEU 42 -8.127 -9.095 4.499 305 1HD1 LEU 42 1HD1 LEU 42 -9.520 -7.074 6.121 306 2HD1 LEU 42 2HD1 LEU 42 -7.854 -7.429 6.574 307 3HD1 LEU 42 3HD1 LEU 42 -9.047 -8.726 6.515 308 1HD2 LEU 42 1HD2 LEU 42 -9.454 -8.260 2.757 309 2HD2 LEU 42 2HD2 LEU 42 -9.700 -6.714 3.565 310 3HD2 LEU 42 3HD2 LEU 42 -10.479 -8.165 4.188 311 H PHE 43 HN PHE 43 -7.216 -3.832 2.562 312 HA PHE 43 HA PHE 43 -4.323 -3.900 2.014 313 1HB PHE 43 HB2 PHE 43 -4.661 -1.875 0.657 314 2HB PHE 43 HB1 PHE 43 -5.600 -3.239 0.076 315 HD1 PHE 43 HD1 PHE 43 -7.192 -1.973 2.958 316 HD2 PHE 43 HD2 PHE 43 -6.570 -1.156 -1.170 317 HE1 PHE 43 HE1 PHE 43 -9.190 -0.550 2.947 318 HE2 PHE 43 HE2 PHE 43 -8.572 0.264 -1.190 319 HZ PHE 43 HZ PHE 43 -9.888 0.570 0.869 320 H LEU 44 HN LEU 44 -3.081 -1.944 2.515 321 HA LEU 44 HA LEU 44 -4.101 -0.386 4.779 322 1HB LEU 44 HB2 LEU 44 -2.887 -2.277 5.751 323 2HB LEU 44 HB1 LEU 44 -1.489 -1.908 4.759 324 HG LEU 44 HG LEU 44 -1.236 0.251 5.966 325 1HD1 LEU 44 1HD1 LEU 44 -3.226 -0.769 7.957 326 2HD1 LEU 44 2HD1 LEU 44 -3.724 0.254 6.611 327 3HD1 LEU 44 3HD1 LEU 44 -2.550 0.851 7.785 328 1HD2 LEU 44 1HD2 LEU 44 -0.209 -0.672 7.868 329 2HD2 LEU 44 2HD2 LEU 44 -0.131 -1.938 6.642 330 3HD2 LEU 44 3HD2 LEU 44 -1.338 -2.026 7.924 331 H VAL 45 HN VAL 45 -3.177 1.687 4.963 332 HA VAL 45 HA VAL 45 -1.562 2.461 2.628 333 HB VAL 45 HB VAL 45 -3.280 4.165 4.440 334 1HG1 VAL 45 1HG1 VAL 45 -1.770 5.757 3.867 335 2HG1 VAL 45 2HG1 VAL 45 -2.701 5.778 2.370 336 3HG1 VAL 45 3HG1 VAL 45 -1.197 4.862 2.459 337 1HG2 VAL 45 1HG2 VAL 45 -4.520 4.538 2.278 338 2HG2 VAL 45 2HG2 VAL 45 -4.645 2.913 2.952 339 3HG2 VAL 45 3HG2 VAL 45 -3.562 3.223 1.594 340 H ARG 46 HN ARG 46 0.427 1.815 3.446 341 HA ARG 46 HA ARG 46 1.450 3.581 5.554 342 1HB ARG 46 HB2 ARG 46 2.091 1.867 6.826 343 2HB ARG 46 HB1 ARG 46 1.151 0.823 5.781 344 1HG ARG 46 HG2 ARG 46 4.060 1.465 5.401 345 2HG ARG 46 HG1 ARG 46 3.430 0.028 6.191 346 1HD ARG 46 HD2 ARG 46 2.225 -0.530 4.081 347 2HD ARG 46 HD1 ARG 46 3.055 0.820 3.309 348 HE ARG 46 HE ARG 46 4.110 -1.739 3.719 349 1HH1 ARG 46 HH11 ARG 46 5.026 1.607 3.938 350 2HH1 ARG 46 HH12 ARG 46 6.720 1.283 3.845 351 1HH2 ARG 46 HH21 ARG 46 6.339 -2.170 3.553 352 2HH2 ARG 46 HH22 ARG 46 7.469 -0.860 3.599 353 H GLU 47 HN GLU 47 3.927 3.755 5.438 354 HA GLU 47 HA GLU 47 4.779 3.494 2.650 355 1HB GLU 47 HB2 GLU 47 5.532 5.848 2.674 356 2HB GLU 47 HB1 GLU 47 3.792 5.685 2.808 357 1HG GLU 47 HG2 GLU 47 4.050 5.939 5.282 358 2HG GLU 47 HG1 GLU 47 5.745 6.330 5.000 359 H SER 48 HN SER 48 7.087 5.075 2.867 360 HA SER 48 HA SER 48 8.629 3.552 4.857 361 1HB SER 48 HB2 SER 48 10.521 3.520 3.281 362 2HB SER 48 HB1 SER 48 9.120 2.698 2.607 363 HG SER 48 HG SER 48 9.911 5.363 2.046 364 H GLN 49 HN GLN 49 10.057 4.668 6.045 365 HA GLN 49 HA GLN 49 10.065 7.564 5.667 366 1HB GLN 49 HB2 GLN 49 10.571 7.772 7.983 367 2HB GLN 49 HB1 GLN 49 9.349 6.503 7.893 368 1HG GLN 49 HG2 GLN 49 10.977 5.810 9.459 369 2HG GLN 49 HG1 GLN 49 11.209 4.839 8.016 370 H ARG 50 HN ARG 50 11.642 5.121 4.494 371 HA ARG 50 HA ARG 50 14.353 6.177 4.840 372 1HB ARG 50 HB2 ARG 50 14.103 3.803 5.377 373 2HB ARG 50 HB1 ARG 50 13.411 3.502 3.790 374 1HG ARG 50 HG2 ARG 50 15.688 2.770 3.799 375 2HG ARG 50 HG1 ARG 50 15.554 4.194 2.767 376 1HD ARG 50 HD2 ARG 50 16.426 4.312 5.647 377 2HD ARG 50 HD1 ARG 50 17.553 4.129 4.305 378 HE ARG 50 HE ARG 50 15.973 6.346 3.754 379 1HH1 ARG 50 HH11 ARG 50 18.306 5.355 6.151 380 2HH1 ARG 50 HH12 ARG 50 18.865 6.966 6.454 381 1HH2 ARG 50 HH21 ARG 50 16.707 8.465 4.149 382 2HH2 ARG 50 HH22 ARG 50 17.958 8.732 5.318 383 H ASN 51 HN ASN 51 11.863 5.388 2.427 384 HA ASN 51 HA ASN 51 13.606 6.099 0.241 385 1HB ASN 51 HB2 ASN 51 10.610 5.712 0.236 386 2HB ASN 51 HB1 ASN 51 11.673 5.713 -1.168 387 1HD2 ASN 51 1HD2 ASN 51 13.523 4.248 1.034 388 2HD2 ASN 51 2HD2 ASN 51 13.043 2.609 0.809 389 HA PRO 52 HA PRO 52 13.319 10.561 0.698 390 1HB PRO 52 HB2 PRO 52 13.368 10.261 -2.286 391 2HB PRO 52 HB1 PRO 52 14.252 11.399 -1.262 392 1HG PRO 52 HG2 PRO 52 15.444 9.216 -2.240 393 2HG PRO 52 HG1 PRO 52 15.811 9.817 -0.614 394 1HD PRO 52 HD2 PRO 52 14.297 7.415 -1.436 395 2HD PRO 52 HD1 PRO 52 15.150 7.747 0.084 396 H GLN 53 HN GLN 53 11.406 8.686 -1.553 397 HA GLN 53 HA GLN 53 9.084 10.414 -1.042 398 1HB GLN 53 HB2 GLN 53 9.541 9.040 -3.683 399 2HB GLN 53 HB1 GLN 53 8.408 10.326 -3.305 400 1HG GLN 53 HG2 GLN 53 11.399 10.614 -3.397 401 2HG GLN 53 HG1 GLN 53 10.287 11.093 -4.673 402 H GLY 54 HN GLY 54 8.839 8.751 0.654 403 1HA GLY 54 HA2 GLY 54 8.091 6.108 -0.353 404 2HA GLY 54 HA1 GLY 54 8.480 6.502 1.303 405 H PHE 55 HN PHE 55 6.030 6.229 -1.046 406 HA PHE 55 HA PHE 55 3.954 6.386 0.979 407 1HB PHE 55 HB2 PHE 55 3.871 7.836 -1.687 408 2HB PHE 55 HB1 PHE 55 2.451 7.544 -0.689 409 HD1 PHE 55 HD1 PHE 55 5.890 8.966 -0.328 410 HD2 PHE 55 HD2 PHE 55 1.763 9.250 0.667 411 HE1 PHE 55 HE1 PHE 55 6.342 11.028 0.931 412 HE2 PHE 55 HE2 PHE 55 2.206 11.319 1.922 413 HZ PHE 55 HZ PHE 55 4.497 12.210 2.055 414 H VAL 56 HN VAL 56 3.106 4.424 0.979 415 HA VAL 56 HA VAL 56 2.664 3.035 -1.571 416 HB VAL 56 HB VAL 56 4.189 1.470 -1.053 417 1HG1 VAL 56 1HG1 VAL 56 4.878 3.266 0.837 418 2HG1 VAL 56 2HG1 VAL 56 5.682 1.714 0.618 419 3HG1 VAL 56 3HG1 VAL 56 4.438 1.891 1.854 420 1HG2 VAL 56 1HG2 VAL 56 2.495 0.831 1.357 421 2HG2 VAL 56 2HG2 VAL 56 3.634 -0.245 0.548 422 3HG2 VAL 56 3HG2 VAL 56 2.169 0.269 -0.282 423 H LEU 57 HN LEU 57 1.073 1.519 -1.670 424 HA LEU 57 HA LEU 57 -0.911 1.537 0.499 425 1HB LEU 57 HB2 LEU 57 -1.573 2.658 -1.740 426 2HB LEU 57 HB1 LEU 57 -1.563 1.034 -2.404 427 HG LEU 57 HG LEU 57 -3.375 2.141 -0.270 428 1HD1 LEU 57 1HD1 LEU 57 -4.478 2.633 -2.172 429 2HD1 LEU 57 2HD1 LEU 57 -4.964 0.941 -2.061 430 3HD1 LEU 57 3HD1 LEU 57 -3.627 1.407 -3.113 431 1HD2 LEU 57 1HD2 LEU 57 -4.359 -0.125 -0.152 432 2HD2 LEU 57 2HD2 LEU 57 -2.713 -0.049 0.481 433 3HD2 LEU 57 3HD2 LEU 57 -3.015 -0.728 -1.120 434 H SER 58 HN SER 58 -0.903 -0.416 1.446 435 HA SER 58 HA SER 58 0.216 -2.671 -0.032 436 1HB SER 58 HB2 SER 58 -0.451 -2.588 2.907 437 2HB SER 58 HB1 SER 58 0.670 -3.668 2.077 438 HG SER 58 HG SER 58 1.002 -0.860 2.161 439 H LEU 59 HN LEU 59 -0.752 -4.715 -0.063 440 HA LEU 59 HA LEU 59 -3.665 -4.665 0.357 441 1HB LEU 59 HB2 LEU 59 -2.084 -6.245 -1.669 442 2HB LEU 59 HB1 LEU 59 -3.821 -6.318 -1.457 443 HG LEU 59 HG LEU 59 -2.247 -3.915 -2.382 444 1HD1 LEU 59 1HD1 LEU 59 -4.267 -5.545 -3.900 445 2HD1 LEU 59 2HD1 LEU 59 -2.529 -5.828 -3.990 446 3HD1 LEU 59 3HD1 LEU 59 -3.199 -4.285 -4.518 447 1HD2 LEU 59 1HD2 LEU 59 -4.056 -3.030 -1.192 448 2HD2 LEU 59 2HD2 LEU 59 -5.149 -4.304 -1.731 449 3HD2 LEU 59 3HD2 LEU 59 -4.612 -3.067 -2.866 450 H CYS 60 HN CYS 60 -4.336 -7.213 0.186 451 HA CYS 60 HA CYS 60 -2.649 -8.837 1.865 452 1HB CYS 60 HB2 CYS 60 -4.210 -7.660 3.449 453 2HB CYS 60 HB1 CYS 60 -5.554 -8.397 2.578 454 HG CYS 60 HG CYS 60 -4.307 -9.565 5.176 455 H HIS 61 HN HIS 61 -2.449 -9.586 -0.251 456 HA HIS 61 HA HIS 61 -4.528 -10.597 -1.775 457 1HB HIS 61 HB2 HIS 61 -2.622 -10.166 -2.873 458 2HB HIS 61 HB1 HIS 61 -1.595 -10.801 -1.626 459 HD1 HIS 61 HD1 HIS 61 -1.532 -13.583 -1.644 460 HD2 HIS 61 HD2 HIS 61 -2.838 -11.687 -5.090 461 HE1 HIS 61 HE1 HIS 61 -1.325 -15.288 -3.475 462 HE2 HIS 61 HE2 HIS 61 -1.965 -14.063 -5.567 463 H LEU 62 HN LEU 62 -4.466 -13.165 -2.308 464 HA LEU 62 HA LEU 62 -5.121 -14.271 0.323 465 1HB LEU 62 HB2 LEU 62 -6.496 -15.879 -0.741 466 2HB LEU 62 HB1 LEU 62 -6.804 -14.338 -1.507 467 HG LEU 62 HG LEU 62 -6.797 -15.806 -3.290 468 1HD1 LEU 62 1HD1 LEU 62 -5.341 -13.992 -3.840 469 2HD1 LEU 62 2HD1 LEU 62 -4.707 -15.476 -4.551 470 3HD1 LEU 62 3HD1 LEU 62 -3.972 -14.813 -3.093 471 1HD2 LEU 62 1HD2 LEU 62 -5.775 -17.804 -3.420 472 2HD2 LEU 62 2HD2 LEU 62 -5.649 -17.594 -1.673 473 3HD2 LEU 62 3HD2 LEU 62 -4.275 -17.212 -2.710 474 H GLN 63 HN GLN 63 -2.569 -13.981 -0.235 475 HA GLN 63 HA GLN 63 -1.786 -16.500 0.638 476 1HB GLN 63 HB2 GLN 63 -0.416 -15.412 -1.825 477 2HB GLN 63 HB1 GLN 63 0.152 -16.781 -0.884 478 1HG GLN 63 HG2 GLN 63 -1.899 -18.001 -1.421 479 2HG GLN 63 HG1 GLN 63 -2.452 -16.633 -2.381 480 H LYS 64 HN LYS 64 -1.142 -13.164 -0.105 481 HA LYS 64 HA LYS 64 0.426 -12.973 2.311 482 1HB LYS 64 HB2 LYS 64 2.392 -12.018 1.224 483 2HB LYS 64 HB1 LYS 64 2.076 -13.636 0.622 484 1HG LYS 64 HG2 LYS 64 1.017 -12.688 -1.370 485 2HG LYS 64 HG1 LYS 64 1.364 -11.064 -0.775 486 1HD LYS 64 HD2 LYS 64 3.765 -11.584 -0.818 487 2HD LYS 64 HD1 LYS 64 3.395 -13.185 -1.457 488 1HE LYS 64 HE2 LYS 64 2.770 -10.552 -2.784 489 2HE LYS 64 HE1 LYS 64 4.064 -11.658 -3.237 490 1HZ LYS 64 HZ1 LYS 64 2.379 -12.167 -4.714 491 2HZ LYS 64 HZ2 LYS 64 1.153 -11.990 -3.563 492 3HZ LYS 64 HZ3 LYS 64 2.167 -13.344 -3.517 493 H VAL 65 HN VAL 65 1.615 -10.429 1.154 494 HA VAL 65 HA VAL 65 -0.690 -8.673 0.872 495 HB VAL 65 HB VAL 65 0.022 -7.113 2.523 496 1HG1 VAL 65 1HG1 VAL 65 -0.033 -9.935 3.492 497 2HG1 VAL 65 2HG1 VAL 65 -1.264 -8.679 3.631 498 3HG1 VAL 65 3HG1 VAL 65 0.191 -8.602 4.624 499 1HG2 VAL 65 1HG2 VAL 65 2.235 -6.842 2.697 500 2HG2 VAL 65 2HG2 VAL 65 2.569 -8.533 2.333 501 3HG2 VAL 65 3HG2 VAL 65 2.119 -8.056 3.970 502 H LYS 66 HN LYS 66 0.013 -6.558 -0.102 503 HA LYS 66 HA LYS 66 2.644 -6.835 -1.433 504 1HB LYS 66 HB2 LYS 66 0.486 -5.348 -2.819 505 2HB LYS 66 HB1 LYS 66 1.789 -6.312 -3.487 506 1HG LYS 66 HG2 LYS 66 -0.619 -7.417 -2.107 507 2HG LYS 66 HG1 LYS 66 -0.465 -7.234 -3.851 508 1HD LYS 66 HD2 LYS 66 1.436 -8.855 -2.163 509 2HD LYS 66 HD1 LYS 66 0.028 -9.543 -2.969 510 1HE LYS 66 HE2 LYS 66 1.845 -9.957 -4.407 511 2HE LYS 66 HE1 LYS 66 0.978 -8.600 -5.122 512 1HZ LYS 66 HZ1 LYS 66 3.039 -7.786 -3.296 513 2HZ LYS 66 HZ2 LYS 66 2.737 -7.277 -4.882 514 3HZ LYS 66 HZ3 LYS 66 3.637 -8.681 -4.602 515 H HIS 67 HN HIS 67 3.189 -4.639 -2.569 516 HA HIS 67 HA HIS 67 2.385 -2.408 -0.901 517 1HB HIS 67 HB2 HIS 67 5.281 -3.136 -1.391 518 2HB HIS 67 HB1 HIS 67 4.716 -1.707 -0.527 519 HD1 HIS 67 HD1 HIS 67 3.761 -2.066 1.862 520 HD2 HIS 67 HD2 HIS 67 5.164 -5.529 0.043 521 HE1 HIS 67 HE1 HIS 67 3.862 -3.794 3.688 522 HE2 HIS 67 HE2 HIS 67 4.581 -5.912 2.531 523 H TYR 68 HN TYR 68 2.397 -0.409 -1.928 524 HA TYR 68 HA TYR 68 3.416 -0.313 -4.689 525 1HB TYR 68 HB2 TYR 68 0.721 0.695 -3.748 526 2HB TYR 68 HB1 TYR 68 1.396 0.973 -5.344 527 HD1 TYR 68 HD1 TYR 68 0.383 -0.258 -6.978 528 HD2 TYR 68 HD2 TYR 68 0.879 -2.033 -3.146 529 HE1 TYR 68 HE1 TYR 68 -0.712 -2.302 -7.789 530 HE2 TYR 68 HE2 TYR 68 -0.205 -4.086 -3.954 531 HH TYR 68 HH TYR 68 -1.669 -4.847 -5.676 532 H LEU 69 HN LEU 69 5.229 0.922 -3.551 533 HA LEU 69 HA LEU 69 4.406 3.727 -3.221 534 1HB LEU 69 HB2 LEU 69 4.957 3.362 -1.062 535 2HB LEU 69 HB1 LEU 69 6.099 2.109 -1.427 536 HG LEU 69 HG LEU 69 6.800 4.496 -0.440 537 1HD1 LEU 69 1HD1 LEU 69 8.225 2.556 -2.152 538 2HD1 LEU 69 2HD1 LEU 69 8.539 3.062 -0.495 539 3HD1 LEU 69 3HD1 LEU 69 9.020 4.095 -1.839 540 1HD2 LEU 69 1HD2 LEU 69 5.920 5.381 -2.833 541 2HD2 LEU 69 2HD2 LEU 69 7.618 5.082 -3.210 542 3HD2 LEU 69 3HD2 LEU 69 7.187 6.166 -1.901 543 H ILE 70 HN ILE 70 5.122 4.727 -4.959 544 HA ILE 70 HA ILE 70 8.022 4.649 -5.197 545 HB ILE 70 HB ILE 70 6.321 3.919 -7.543 546 1HG1 ILE 70 2HG1 ILE 70 8.555 2.653 -5.959 547 2HG1 ILE 70 1HG1 ILE 70 6.897 2.094 -6.094 548 1HG2 ILE 70 1HG2 ILE 70 8.975 5.220 -7.427 549 2HG2 ILE 70 2HG2 ILE 70 7.764 5.236 -8.708 550 3HG2 ILE 70 3HG2 ILE 70 8.828 3.844 -8.520 551 1HD1 ILE 70 1HD1 ILE 70 8.361 2.266 -8.616 552 2HD1 ILE 70 2HD1 ILE 70 7.291 1.014 -7.995 553 3HD1 ILE 70 3HD1 ILE 70 8.963 1.086 -7.464 554 H LEU 71 HN LEU 71 5.072 6.168 -5.799 555 HA LEU 71 HA LEU 71 6.549 8.687 -6.114 556 1HB LEU 71 HB2 LEU 71 4.198 8.020 -7.854 557 2HB LEU 71 HB1 LEU 71 5.261 9.400 -7.991 558 HG LEU 71 HG LEU 71 6.034 6.529 -8.523 559 1HD1 LEU 71 1HD1 LEU 71 5.626 8.778 -10.482 560 2HD1 LEU 71 2HD1 LEU 71 4.443 7.512 -10.158 561 3HD1 LEU 71 3HD1 LEU 71 6.013 7.096 -10.847 562 1HD2 LEU 71 1HD2 LEU 71 7.711 8.530 -7.782 563 2HD2 LEU 71 2HD2 LEU 71 7.702 8.720 -9.535 564 3HD2 LEU 71 3HD2 LEU 71 8.162 7.173 -8.819 565 HA PRO 72 HA PRO 72 3.401 9.839 -3.134 566 1HB PRO 72 HB2 PRO 72 4.495 12.143 -2.363 567 2HB PRO 72 HB1 PRO 72 5.249 10.600 -1.946 568 1HG PRO 72 HG2 PRO 72 5.951 12.510 -4.143 569 2HG PRO 72 HG1 PRO 72 7.023 11.672 -3.011 570 1HD PRO 72 HD2 PRO 72 6.540 10.814 -5.567 571 2HD PRO 72 HD1 PRO 72 7.004 9.734 -4.238 572 H SER 73 HN SER 73 2.120 11.906 -2.721 573 HA SER 73 HA SER 73 0.737 12.639 -5.030 574 1HB SER 73 HB2 SER 73 0.848 14.129 -2.399 575 2HB SER 73 HB1 SER 73 -0.393 14.308 -3.639 576 HG SER 73 HG SER 73 0.026 12.243 -1.818 577 H GLU 74 HN GLU 74 1.230 13.984 -6.622 578 HA GLU 74 HA GLU 74 3.416 15.896 -6.202 579 1HB GLU 74 HB2 GLU 74 3.038 14.069 -8.189 580 2HB GLU 74 HB1 GLU 74 2.372 15.518 -8.929 581 1HG GLU 74 HG2 GLU 74 4.717 15.234 -9.488 582 2HG GLU 74 HG1 GLU 74 4.461 16.698 -8.537 583 H GLU 75 HN GLU 75 3.168 17.927 -7.711 584 HA GLU 75 HA GLU 75 0.611 19.131 -6.982 585 1HB GLU 75 HB2 GLU 75 2.616 20.298 -6.250 586 2HB GLU 75 HB1 GLU 75 3.228 20.340 -7.897 587 1HG GLU 75 HG2 GLU 75 1.478 21.825 -8.567 588 2HG GLU 75 HG1 GLU 75 0.711 21.697 -6.987 589 H GLU 76 HN GLU 76 1.496 17.359 -9.370 590 HA GLU 76 HA GLU 76 0.109 18.953 -11.405 591 1HB GLU 76 HB2 GLU 76 1.388 17.765 -13.131 592 2HB GLU 76 HB1 GLU 76 2.459 18.652 -12.056 593 1HG GLU 76 HG2 GLU 76 2.935 16.562 -10.849 594 2HG GLU 76 HG1 GLU 76 1.913 15.695 -11.995 595 H GLY 77 HN GLY 77 -0.253 16.615 -9.218 596 1HA GLY 77 HA2 GLY 77 -2.488 15.424 -10.552 597 2HA GLY 77 HA1 GLY 77 -1.139 14.305 -10.416 598 H ARG 78 HN ARG 78 -2.360 12.958 -9.045 599 HA ARG 78 HA ARG 78 -2.669 14.027 -6.322 600 1HB ARG 78 HB2 ARG 78 -4.396 11.974 -6.270 601 2HB ARG 78 HB1 ARG 78 -4.851 13.603 -6.732 602 1HG ARG 78 HG2 ARG 78 -3.967 11.587 -8.763 603 2HG ARG 78 HG1 ARG 78 -5.634 11.694 -8.217 604 1HD ARG 78 HD2 ARG 78 -4.029 13.834 -9.598 605 2HD ARG 78 HD1 ARG 78 -5.421 12.963 -10.232 606 HE ARG 78 HE ARG 78 -6.177 14.269 -7.873 607 1HH1 ARG 78 HH11 ARG 78 -5.235 15.018 -11.148 608 2HH1 ARG 78 HH12 ARG 78 -6.141 16.492 -11.204 609 1HH2 ARG 78 HH21 ARG 78 -7.371 16.208 -7.945 610 2HH2 ARG 78 HH22 ARG 78 -7.354 17.169 -9.386 611 H LEU 79 HN LEU 79 -3.315 10.689 -6.399 612 HA LEU 79 HA LEU 79 -0.782 10.152 -5.105 613 1HB LEU 79 HB2 LEU 79 -3.048 8.270 -5.789 614 2HB LEU 79 HB1 LEU 79 -1.672 7.881 -4.778 615 HG LEU 79 HG LEU 79 -3.805 9.922 -4.151 616 1HD1 LEU 79 1HD1 LEU 79 -4.919 8.090 -3.515 617 2HD1 LEU 79 2HD1 LEU 79 -3.808 8.083 -2.145 618 3HD1 LEU 79 3HD1 LEU 79 -3.477 7.076 -3.555 619 1HD2 LEU 79 1HD2 LEU 79 -2.030 10.830 -3.047 620 2HD2 LEU 79 2HD2 LEU 79 -1.179 9.291 -2.919 621 3HD2 LEU 79 3HD2 LEU 79 -2.533 9.641 -1.846 622 H TYR 80 HN TYR 80 1.011 9.262 -6.051 623 HA TYR 80 HA TYR 80 0.692 8.487 -8.857 624 1HB TYR 80 HB2 TYR 80 3.068 9.584 -7.382 625 2HB TYR 80 HB1 TYR 80 3.161 8.941 -9.017 626 HD1 TYR 80 HD1 TYR 80 0.601 11.130 -7.411 627 HD2 TYR 80 HD2 TYR 80 3.571 10.720 -10.420 628 HE1 TYR 80 HE1 TYR 80 -0.030 13.325 -8.317 629 HE2 TYR 80 HE2 TYR 80 2.953 12.916 -11.336 630 HH TYR 80 HH TYR 80 0.657 14.361 -11.250 631 H PHE 81 HN PHE 81 0.344 6.301 -8.869 632 HA PHE 81 HA PHE 81 2.630 4.730 -8.294 633 1HB PHE 81 HB2 PHE 81 1.052 2.943 -7.180 634 2HB PHE 81 HB1 PHE 81 1.899 4.163 -6.224 635 HD1 PHE 81 HD1 PHE 81 -1.103 4.723 -8.328 636 HD2 PHE 81 HD2 PHE 81 0.458 4.343 -4.389 637 HE1 PHE 81 HE1 PHE 81 -3.255 5.481 -7.402 638 HE2 PHE 81 HE2 PHE 81 -1.687 5.104 -3.459 639 HZ PHE 81 HZ PHE 81 -3.546 5.673 -4.967 640 H SER 82 HN SER 82 2.372 2.463 -8.733 641 HA SER 82 HA SER 82 0.493 1.814 -10.823 642 1HB SER 82 HB2 SER 82 2.279 2.893 -12.083 643 2HB SER 82 HB1 SER 82 3.492 1.910 -11.263 644 HG SER 82 HG SER 82 2.364 1.338 -13.498 645 H MET 83 HN MET 83 1.796 -0.402 -11.705 646 HA MET 83 HA MET 83 2.559 -2.082 -9.488 647 1HB MET 83 HB2 MET 83 0.794 -3.731 -9.895 648 2HB MET 83 HB1 MET 83 0.104 -2.178 -9.453 649 1HG MET 83 HG2 MET 83 0.120 -1.943 -12.133 650 2HG MET 83 HG1 MET 83 -0.092 -3.685 -11.963 651 1HE MET 83 HE1 MET 83 -1.387 -4.353 -9.771 652 2HE MET 83 HE2 MET 83 -3.130 -4.231 -10.004 653 3HE MET 83 HE3 MET 83 -2.316 -3.159 -8.866 654 H ASP 84 HN ASP 84 2.142 -4.553 -10.972 655 HA ASP 84 HA ASP 84 4.490 -4.548 -12.517 656 1HB ASP 84 HB2 ASP 84 2.214 -6.526 -12.386 657 2HB ASP 84 HB1 ASP 84 3.649 -6.788 -13.368 658 H ASP 85 HN ASP 85 1.069 -4.416 -13.413 659 HA ASP 85 HA ASP 85 1.858 -3.250 -15.983 660 1HB ASP 85 HB2 ASP 85 1.480 -5.635 -16.429 661 2HB ASP 85 HB1 ASP 85 -0.119 -5.525 -15.700 662 H GLY 86 HN GLY 86 1.069 -1.594 -14.114 663 1HA GLY 86 HA2 GLY 86 -1.690 -0.944 -14.891 664 2HA GLY 86 HA1 GLY 86 -1.277 -0.998 -13.188 665 H GLN 87 HN GLN 87 -2.352 1.225 -14.060 666 HA GLN 87 HA GLN 87 -0.178 3.183 -13.917 667 1HB GLN 87 HB2 GLN 87 -1.414 4.596 -15.583 668 2HB GLN 87 HB1 GLN 87 -0.724 3.128 -16.268 669 1HG GLN 87 HG2 GLN 87 -2.884 2.041 -16.191 670 2HG GLN 87 HG1 GLN 87 -3.598 3.455 -15.424 671 H THR 88 HN THR 88 -1.012 3.105 -11.639 672 HA THR 88 HA THR 88 -3.640 4.309 -11.389 673 HB THR 88 HB THR 88 -3.546 3.597 -9.023 674 HG1 THR 88 HG1 THR 88 -1.149 2.301 -9.800 675 1HG2 THR 88 1HG2 THR 88 -3.639 1.905 -11.344 676 2HG2 THR 88 2HG2 THR 88 -4.561 1.808 -9.839 677 3HG2 THR 88 3HG2 THR 88 -2.981 1.033 -9.955 678 H ARG 89 HN ARG 89 -0.768 5.591 -11.650 679 HA ARG 89 HA ARG 89 -0.412 7.335 -9.529 680 1HB ARG 89 HB2 ARG 89 1.268 7.071 -11.251 681 2HB ARG 89 HB1 ARG 89 0.184 7.742 -12.458 682 1HG ARG 89 HG2 ARG 89 0.428 9.645 -10.374 683 2HG ARG 89 HG1 ARG 89 2.048 9.085 -10.791 684 1HD ARG 89 HD2 ARG 89 -0.012 10.144 -12.725 685 2HD ARG 89 HD1 ARG 89 1.387 11.033 -12.123 686 HE ARG 89 HE ARG 89 2.289 8.655 -13.285 687 1HH1 ARG 89 HH11 ARG 89 0.772 11.651 -14.232 688 2HH1 ARG 89 HH12 ARG 89 1.459 11.641 -15.822 689 1HH2 ARG 89 HH21 ARG 89 3.194 8.640 -15.376 690 2HH2 ARG 89 HH22 ARG 89 2.834 9.932 -16.472 691 H PHE 90 HN PHE 90 -3.016 7.456 -9.451 692 HA PHE 90 HA PHE 90 -3.628 10.210 -10.156 693 1HB PHE 90 HB2 PHE 90 -5.947 9.493 -10.881 694 2HB PHE 90 HB1 PHE 90 -4.645 9.100 -11.991 695 HD1 PHE 90 HD1 PHE 90 -6.065 7.413 -8.962 696 HD2 PHE 90 HD2 PHE 90 -5.039 7.142 -13.083 697 HE1 PHE 90 HE1 PHE 90 -6.760 5.057 -8.975 698 HE2 PHE 90 HE2 PHE 90 -5.737 4.783 -13.103 699 HZ PHE 90 HZ PHE 90 -6.599 3.738 -11.047 700 H THR 91 HN THR 91 -6.411 9.949 -9.262 701 HA THR 91 HA THR 91 -5.914 10.057 -6.422 702 HB THR 91 HB THR 91 -8.436 10.441 -8.040 703 HG1 THR 91 HG1 THR 91 -8.107 12.624 -7.454 704 1HG2 THR 91 1HG2 THR 91 -9.645 10.369 -6.198 705 2HG2 THR 91 2HG2 THR 91 -8.681 11.690 -5.538 706 3HG2 THR 91 3HG2 THR 91 -8.210 10.018 -5.236 707 H ASP 92 HN ASP 92 -6.313 8.507 -4.964 708 HA ASP 92 HA ASP 92 -7.799 6.131 -5.876 709 1HB ASP 92 HB2 ASP 92 -5.413 5.652 -5.585 710 2HB ASP 92 HB1 ASP 92 -5.486 6.248 -3.930 711 H LEU 93 HN LEU 93 -7.113 8.288 -3.174 712 HA LEU 93 HA LEU 93 -8.393 7.213 -1.064 713 1HB LEU 93 HB2 LEU 93 -7.330 9.461 -1.160 714 2HB LEU 93 HB1 LEU 93 -8.768 10.073 -1.948 715 HG LEU 93 HG LEU 93 -8.742 8.881 0.826 716 1HD1 LEU 93 1HD1 LEU 93 -7.519 11.179 0.225 717 2HD1 LEU 93 2HD1 LEU 93 -8.397 10.924 1.734 718 3HD1 LEU 93 3HD1 LEU 93 -9.171 11.773 0.397 719 1HD2 LEU 93 1HD2 LEU 93 -10.930 8.696 0.130 720 2HD2 LEU 93 2HD2 LEU 93 -10.833 10.119 -0.908 721 3HD2 LEU 93 3HD2 LEU 93 -10.928 10.310 0.843 722 H LEU 94 HN LEU 94 -10.226 9.482 -3.126 723 HA LEU 94 HA LEU 94 -12.741 8.805 -2.197 724 1HB LEU 94 HB2 LEU 94 -12.147 10.761 -3.635 725 2HB LEU 94 HB1 LEU 94 -12.067 9.674 -5.008 726 HG LEU 94 HG LEU 94 -14.178 10.946 -4.910 727 1HD1 LEU 94 1HD1 LEU 94 -15.071 8.183 -4.378 728 2HD1 LEU 94 2HD1 LEU 94 -13.860 8.393 -5.641 729 3HD1 LEU 94 3HD1 LEU 94 -15.401 9.243 -5.748 730 1HD2 LEU 94 1HD2 LEU 94 -15.504 11.057 -3.107 731 2HD2 LEU 94 2HD2 LEU 94 -14.069 10.534 -2.225 732 3HD2 LEU 94 3HD2 LEU 94 -15.283 9.352 -2.715 733 H GLN 95 HN GLN 95 -10.932 7.398 -4.904 734 HA GLN 95 HA GLN 95 -12.914 5.723 -5.887 735 1HB GLN 95 HB2 GLN 95 -9.917 5.351 -5.867 736 2HB GLN 95 HB1 GLN 95 -11.046 4.562 -6.933 737 1HG GLN 95 HG2 GLN 95 -10.570 7.518 -6.837 738 2HG GLN 95 HG1 GLN 95 -9.853 6.415 -8.005 739 H LEU 96 HN LEU 96 -10.377 5.172 -3.484 740 HA LEU 96 HA LEU 96 -10.596 2.512 -2.977 741 1HB LEU 96 HB2 LEU 96 -8.987 3.959 -1.870 742 2HB LEU 96 HB1 LEU 96 -10.270 4.746 -0.974 743 HG LEU 96 HG LEU 96 -9.648 1.814 -0.663 744 1HD1 LEU 96 1HD1 LEU 96 -8.779 3.713 1.416 745 2HD1 LEU 96 2HD1 LEU 96 -7.837 3.718 -0.074 746 3HD1 LEU 96 3HD1 LEU 96 -8.022 2.225 0.847 747 1HD2 LEU 96 1HD2 LEU 96 -11.435 3.784 0.657 748 2HD2 LEU 96 2HD2 LEU 96 -10.669 2.560 1.669 749 3HD2 LEU 96 3HD2 LEU 96 -11.690 2.073 0.317 750 H VAL 97 HN VAL 97 -12.437 4.973 -1.172 751 HA VAL 97 HA VAL 97 -14.060 3.265 0.253 752 HB VAL 97 HB VAL 97 -14.845 5.979 -0.811 753 1HG1 VAL 97 1HG1 VAL 97 -16.730 4.677 0.077 754 2HG1 VAL 97 2HG1 VAL 97 -16.359 6.076 1.085 755 3HG1 VAL 97 3HG1 VAL 97 -15.855 4.464 1.593 756 1HG2 VAL 97 1HG2 VAL 97 -14.117 6.424 1.734 757 2HG2 VAL 97 2HG2 VAL 97 -13.014 6.584 0.367 758 3HG2 VAL 97 3HG2 VAL 97 -13.012 5.108 1.332 759 H GLU 98 HN GLU 98 -15.373 5.134 -2.488 760 HA GLU 98 HA GLU 98 -17.609 3.442 -2.783 761 1HB GLU 98 HB2 GLU 98 -17.610 5.779 -3.486 762 2HB GLU 98 HB1 GLU 98 -16.433 5.416 -4.740 763 1HG GLU 98 HG2 GLU 98 -18.047 3.957 -5.843 764 2HG GLU 98 HG1 GLU 98 -19.228 4.311 -4.582 765 H PHE 99 HN PHE 99 -14.788 3.781 -4.950 766 HA PHE 99 HA PHE 99 -15.587 1.735 -6.704 767 1HB PHE 99 HB2 PHE 99 -13.862 3.611 -7.045 768 2HB PHE 99 HB1 PHE 99 -12.720 2.524 -6.268 769 HD1 PHE 99 HD1 PHE 99 -11.258 2.209 -8.083 770 HD2 PHE 99 HD2 PHE 99 -15.421 1.455 -8.553 771 HE1 PHE 99 HE1 PHE 99 -10.817 1.137 -10.253 772 HE2 PHE 99 HE2 PHE 99 -14.986 0.378 -10.719 773 HZ PHE 99 HZ PHE 99 -12.682 0.220 -11.573 774 H HIS 100 HN HIS 100 -14.639 1.297 -3.516 775 HA HIS 100 HA HIS 100 -12.905 -0.886 -3.699 776 1HB HIS 100 HB2 HIS 100 -13.586 -1.519 -1.466 777 2HB HIS 100 HB1 HIS 100 -13.426 0.222 -1.557 778 HD1 HIS 100 HD1 HIS 100 -14.954 -0.468 0.741 779 HD2 HIS 100 HD2 HIS 100 -16.777 -0.353 -2.984 780 HE1 HIS 100 HE1 HIS 100 -17.409 -0.215 1.206 781 HE2 HIS 100 HE2 HIS 100 -18.502 -0.317 -1.057 782 H GLN 101 HN GLN 101 -16.098 -0.636 -4.777 783 HA GLN 101 HA GLN 101 -17.221 -3.130 -4.368 784 1HB GLN 101 HB2 GLN 101 -17.362 -1.849 -7.082 785 2HB GLN 101 HB1 GLN 101 -18.604 -2.738 -6.224 786 1HG GLN 101 HG2 GLN 101 -17.646 0.027 -5.550 787 2HG GLN 101 HG1 GLN 101 -19.117 -0.369 -6.424 788 H LEU 102 HN LEU 102 -15.411 -2.088 -7.236 789 HA LEU 102 HA LEU 102 -14.088 -4.696 -7.384 790 1HB LEU 102 HB2 LEU 102 -15.762 -3.561 -9.626 791 2HB LEU 102 HB1 LEU 102 -14.637 -4.887 -9.815 792 HG LEU 102 HG LEU 102 -16.815 -5.816 -9.682 793 1HD1 LEU 102 1HD1 LEU 102 -16.130 -7.484 -8.406 794 2HD1 LEU 102 2HD1 LEU 102 -16.301 -6.513 -6.944 795 3HD1 LEU 102 3HD1 LEU 102 -14.798 -6.463 -7.866 796 1HD2 LEU 102 1HD2 LEU 102 -17.387 -3.633 -8.031 797 2HD2 LEU 102 2HD2 LEU 102 -17.634 -5.065 -7.034 798 3HD2 LEU 102 3HD2 LEU 102 -18.493 -4.898 -8.565 799 H ASN 103 HN ASN 103 -12.868 -2.324 -6.694 800 HA ASN 103 HA ASN 103 -11.775 -0.996 -8.969 801 1HB ASN 103 HB2 ASN 103 -10.304 0.140 -7.417 802 2HB ASN 103 HB1 ASN 103 -11.933 0.102 -6.770 803 1HD2 ASN 103 1HD2 ASN 103 -11.055 -2.961 -6.282 804 2HD2 ASN 103 2HD2 ASN 103 -10.302 -2.830 -4.741 805 H ARG 104 HN ARG 104 -9.262 -0.811 -9.080 806 HA ARG 104 HA ARG 104 -8.317 -3.398 -9.841 807 1HB ARG 104 HB2 ARG 104 -7.087 -0.653 -9.835 808 2HB ARG 104 HB1 ARG 104 -6.148 -2.075 -10.257 809 1HG ARG 104 HG2 ARG 104 -6.929 -0.988 -12.253 810 2HG ARG 104 HG1 ARG 104 -7.721 -2.553 -12.080 811 1HD ARG 104 HD2 ARG 104 -9.019 -0.036 -11.091 812 2HD ARG 104 HD1 ARG 104 -9.133 -0.511 -12.783 813 HE ARG 104 HE ARG 104 -10.659 -1.545 -10.672 814 1HH1 ARG 104 HH11 ARG 104 -8.946 -2.610 -13.521 815 2HH1 ARG 104 HH12 ARG 104 -9.914 -4.030 -13.723 816 1HH2 ARG 104 HH21 ARG 104 -11.937 -3.407 -10.942 817 2HH2 ARG 104 HH22 ARG 104 -11.614 -4.481 -12.262 818 H GLY 105 HN GLY 105 -8.712 -4.096 -7.460 819 1HA GLY 105 HA2 GLY 105 -7.158 -3.433 -5.309 820 2HA GLY 105 HA1 GLY 105 -7.692 -5.074 -5.637 821 H ILE 106 HN ILE 106 -6.202 -6.592 -6.208 822 HA ILE 106 HA ILE 106 -3.417 -5.709 -6.202 823 HB ILE 106 HB ILE 106 -4.101 -7.581 -4.725 824 1HG1 ILE 106 2HG1 ILE 106 -2.102 -8.312 -6.873 825 2HG1 ILE 106 1HG1 ILE 106 -1.765 -7.306 -5.470 826 1HG2 ILE 106 1HG2 ILE 106 -5.458 -9.141 -5.542 827 2HG2 ILE 106 2HG2 ILE 106 -4.092 -9.765 -6.460 828 3HG2 ILE 106 3HG2 ILE 106 -5.190 -8.598 -7.195 829 1HD1 ILE 106 1HD1 ILE 106 -2.902 -9.843 -4.715 830 2HD1 ILE 106 2HD1 ILE 106 -1.400 -9.078 -4.201 831 3HD1 ILE 106 3HD1 ILE 106 -1.439 -10.040 -5.679 832 H LEU 107 HN LEU 107 -1.874 -6.562 -7.707 833 HA LEU 107 HA LEU 107 -2.295 -6.019 -10.314 834 1HB LEU 107 HB2 LEU 107 -0.478 -8.307 -9.644 835 2HB LEU 107 HB1 LEU 107 -0.300 -7.089 -10.879 836 HG LEU 107 HG LEU 107 -0.038 -5.433 -8.898 837 1HD1 LEU 107 1HD1 LEU 107 1.306 -7.250 -7.219 838 2HD1 LEU 107 2HD1 LEU 107 -0.302 -7.914 -7.493 839 3HD1 LEU 107 3HD1 LEU 107 -0.120 -6.286 -6.847 840 1HD2 LEU 107 1HD2 LEU 107 2.238 -5.569 -9.138 841 2HD2 LEU 107 2HD2 LEU 107 1.680 -6.438 -10.567 842 3HD2 LEU 107 3HD2 LEU 107 2.241 -7.333 -9.156 843 HA PRO 108 HA PRO 108 -3.753 -10.251 -11.656 844 1HB PRO 108 HB2 PRO 108 -2.937 -12.481 -10.357 845 2HB PRO 108 HB1 PRO 108 -1.867 -11.521 -11.383 846 1HG PRO 108 HG2 PRO 108 -1.788 -11.863 -8.499 847 2HG PRO 108 HG1 PRO 108 -0.613 -11.059 -9.550 848 1HD PRO 108 HD2 PRO 108 -2.820 -9.896 -7.961 849 2HD PRO 108 HD1 PRO 108 -1.342 -9.128 -8.566 850 H CYS 109 HN CYS 109 -3.798 -11.883 -8.532 851 HA CYS 109 HA CYS 109 -6.277 -12.994 -8.721 852 1HB CYS 109 HB2 CYS 109 -4.853 -12.158 -6.192 853 2HB CYS 109 HB1 CYS 109 -6.154 -13.340 -6.282 854 HG CYS 109 HG CYS 109 -4.610 -15.030 -8.027 855 H LEU 110 HN LEU 110 -7.701 -12.440 -6.409 856 HA LEU 110 HA LEU 110 -9.754 -10.928 -7.022 857 1HB LEU 110 HB2 LEU 110 -8.389 -11.090 -4.355 858 2HB LEU 110 HB1 LEU 110 -9.882 -10.196 -4.556 859 HG LEU 110 HG LEU 110 -10.364 -12.387 -3.679 860 1HD1 LEU 110 1HD1 LEU 110 -11.141 -12.304 -6.588 861 2HD1 LEU 110 2HD1 LEU 110 -11.929 -11.380 -5.310 862 3HD1 LEU 110 3HD1 LEU 110 -11.983 -13.143 -5.285 863 1HD2 LEU 110 1HD2 LEU 110 -9.689 -14.408 -4.619 864 2HD2 LEU 110 2HD2 LEU 110 -8.251 -13.394 -4.732 865 3HD2 LEU 110 3HD2 LEU 110 -9.256 -13.660 -6.156 866 H LEU 111 HN LEU 111 -10.515 -8.802 -6.849 867 HA LEU 111 HA LEU 111 -8.437 -6.742 -6.615 868 1HB LEU 111 HB2 LEU 111 -9.461 -5.515 -8.482 869 2HB LEU 111 HB1 LEU 111 -8.802 -7.061 -8.962 870 HG LEU 111 HG LEU 111 -10.910 -6.581 -10.099 871 1HD1 LEU 111 1HD1 LEU 111 -10.175 -8.941 -8.981 872 2HD1 LEU 111 2HD1 LEU 111 -11.528 -8.728 -10.092 873 3HD1 LEU 111 3HD1 LEU 111 -11.811 -8.749 -8.352 874 1HD2 LEU 111 1HD2 LEU 111 -12.948 -6.238 -9.034 875 2HD2 LEU 111 2HD2 LEU 111 -11.819 -5.267 -8.089 876 3HD2 LEU 111 3HD2 LEU 111 -12.351 -6.836 -7.486 877 H ARG 112 HN ARG 112 -11.047 -7.854 -5.144 878 HA ARG 112 HA ARG 112 -12.346 -5.262 -4.701 879 1HB ARG 112 HB2 ARG 112 -13.125 -8.013 -3.706 880 2HB ARG 112 HB1 ARG 112 -14.071 -6.543 -3.521 881 1HG ARG 112 HG2 ARG 112 -14.339 -6.402 -5.940 882 2HG ARG 112 HG1 ARG 112 -13.374 -7.866 -6.134 883 1HD ARG 112 HD2 ARG 112 -15.750 -8.376 -6.267 884 2HD ARG 112 HD1 ARG 112 -15.027 -9.126 -4.845 885 HE ARG 112 HE ARG 112 -16.070 -6.642 -4.096 886 1HH1 ARG 112 HH11 ARG 112 -17.188 -9.764 -5.179 887 2HH1 ARG 112 HH12 ARG 112 -18.703 -9.650 -4.349 888 1HH2 ARG 112 HH21 ARG 112 -18.061 -6.489 -3.001 889 2HH2 ARG 112 HH22 ARG 112 -19.199 -7.790 -3.112 890 H HIS 113 HN HIS 113 -12.467 -4.316 -2.614 891 HA HIS 113 HA HIS 113 -10.984 -5.648 -0.477 892 1HB HIS 113 HB2 HIS 113 -9.518 -3.793 -0.043 893 2HB HIS 113 HB1 HIS 113 -9.343 -4.247 -1.736 894 HD1 HIS 113 HD1 HIS 113 -11.464 -1.749 0.217 895 HD2 HIS 113 HD2 HIS 113 -9.280 -2.060 -3.302 896 HE1 HIS 113 HE1 HIS 113 -11.613 0.511 -0.866 897 HE2 HIS 113 HE2 HIS 113 -10.220 0.324 -2.954 898 H CYS 114 HN CYS 114 -11.227 -4.623 1.626 899 HA CYS 114 HA CYS 114 -13.499 -2.795 1.859 900 1HB CYS 114 HB2 CYS 114 -14.467 -5.025 2.073 901 2HB CYS 114 HB1 CYS 114 -13.289 -5.441 3.316 902 HG CYS 114 HG CYS 114 -14.766 -4.707 5.272 903 H CYS 115 HN CYS 115 -11.773 -4.744 4.282 904 HA CYS 115 HA CYS 115 -10.445 -2.328 5.272 905 1HB CYS 115 HB2 CYS 115 -12.101 -4.178 7.003 906 2HB CYS 115 HB1 CYS 115 -11.111 -2.847 7.590 907 HG CYS 115 HG CYS 115 -13.085 -1.588 5.347 908 H THR 116 HN THR 116 -9.196 -3.243 7.466 909 HA THR 116 HA THR 116 -7.594 -5.498 6.452 910 HB THR 116 HB THR 116 -6.762 -3.237 8.279 911 HG1 THR 116 HG1 THR 116 -7.065 -2.808 5.962 912 1HG2 THR 116 1HG2 THR 116 -4.486 -4.041 7.972 913 2HG2 THR 116 2HG2 THR 116 -5.095 -5.433 7.076 914 3HG2 THR 116 3HG2 THR 116 -5.491 -5.241 8.784 915 H ARG 117 HN ARG 117 -6.645 -6.946 8.067 916 HA ARG 117 HA ARG 117 -8.381 -7.184 10.437 917 1HB ARG 117 HB2 ARG 117 -8.655 -9.039 8.872 918 2HB ARG 117 HB1 ARG 117 -6.926 -9.346 8.906 919 1HG ARG 117 HG2 ARG 117 -8.145 -10.941 10.282 920 2HG ARG 117 HG1 ARG 117 -7.059 -9.949 11.258 921 1HD ARG 117 HD2 ARG 117 -9.218 -10.218 12.355 922 2HD ARG 117 HD1 ARG 117 -8.935 -8.533 11.917 923 HE ARG 117 HE ARG 117 -10.358 -9.757 9.843 924 1HH1 ARG 117 HH11 ARG 117 -10.815 -8.816 13.173 925 2HH1 ARG 117 HH12 ARG 117 -12.521 -8.575 13.002 926 1HH2 ARG 117 HH21 ARG 117 -12.603 -9.441 9.616 927 2HH2 ARG 117 HH22 ARG 117 -13.537 -8.931 10.983 928 H VAL 118 HN VAL 118 -6.856 -5.646 11.431 929 HA VAL 118 HA VAL 118 -4.340 -6.920 12.271 930 HB VAL 118 HB VAL 118 -3.554 -4.679 12.875 931 1HG1 VAL 118 1HG1 VAL 118 -2.866 -4.233 10.782 932 2HG1 VAL 118 2HG1 VAL 118 -4.509 -4.152 10.148 933 3HG1 VAL 118 3HG1 VAL 118 -3.730 -5.717 10.381 934 1HG2 VAL 118 1HG2 VAL 118 -5.374 -2.978 11.583 935 2HG2 VAL 118 2HG2 VAL 118 -5.030 -3.073 13.310 936 3HG2 VAL 118 3HG2 VAL 118 -6.341 -4.027 12.619 937 H ALA 119 HN ALA 119 -3.745 -5.576 14.540 938 HA ALA 119 HA ALA 119 -5.220 -6.893 16.501 939 1HB ALA 119 HB1 ALA 119 -3.751 -4.399 17.193 940 2HB ALA 119 HB2 ALA 119 -2.852 -5.776 16.558 941 3HB ALA 119 HB3 ALA 119 -3.800 -5.948 18.035 942 H LEU 120 HN LEU 120 -5.892 -3.981 14.859 943 HA LEU 120 HA LEU 120 -7.975 -3.303 16.826 944 1HB LEU 120 HB2 LEU 120 -6.630 -1.518 14.796 945 2HB LEU 120 HB1 LEU 120 -7.916 -1.025 15.881 946 HG LEU 120 HG LEU 120 -5.146 -1.903 16.701 947 1HD1 LEU 120 1HD1 LEU 120 -5.350 0.348 15.635 948 2HD1 LEU 120 2HD1 LEU 120 -4.768 0.372 17.299 949 3HD1 LEU 120 3HD1 LEU 120 -6.440 0.804 16.943 950 1HD2 LEU 120 1HD2 LEU 120 -6.000 -0.970 18.943 951 2HD2 LEU 120 2HD2 LEU 120 -6.504 -2.589 18.461 952 3HD2 LEU 120 3HD2 LEU 120 -7.609 -1.228 18.268 953 HA PRO1135 HA PRO1135 15.495 -11.142 -9.296 954 1HB PRO1135 HB2 PRO1135 16.895 -8.736 -10.366 955 2HB PRO1135 HB1 PRO1135 17.314 -10.446 -10.526 956 1HG PRO1135 HG2 PRO1135 16.236 -9.120 -12.567 957 2HG PRO1135 HG1 PRO1135 15.778 -10.800 -12.228 958 1HD PRO1135 HD2 PRO1135 14.271 -8.280 -11.701 959 2HD PRO1135 HD1 PRO1135 13.667 -9.881 -12.174 960 H GLN1136 HN GLN1136 14.633 -7.769 -8.879 961 HA GLN1136 HA GLN1136 15.180 -7.877 -6.078 962 1HB GLN1136 HB2 GLN1136 17.464 -7.517 -7.004 963 2HB GLN1136 HB1 GLN1136 16.896 -6.031 -7.751 964 1HG GLN1136 HG2 GLN1136 18.113 -5.581 -5.702 965 2HG GLN1136 HG1 GLN1136 16.427 -5.090 -5.556 966 HA PRO1137 HA PRO1137 12.128 -4.709 -7.901 967 1HB PRO1137 HB2 PRO1137 9.860 -5.885 -6.914 968 2HB PRO1137 HB1 PRO1137 10.491 -6.160 -8.540 969 1HG PRO1137 HG2 PRO1137 10.746 -7.854 -6.096 970 2HG PRO1137 HG1 PRO1137 10.498 -8.341 -7.781 971 1HD PRO1137 HD2 PRO1137 12.908 -8.484 -6.547 972 2HD PRO1137 HD1 PRO1137 12.734 -8.184 -8.287 973 H GLU1138 HN GLU1138 10.762 -6.285 -5.062 974 HA GLU1138 HA GLU1138 10.787 -5.683 -2.835 975 1HB GLU1138 HB2 GLU1138 11.961 -3.011 -3.606 976 2HB GLU1138 HB1 GLU1138 11.817 -3.687 -1.996 977 1HG GLU1138 HG2 GLU1138 13.596 -4.694 -4.198 978 2HG GLU1138 HG1 GLU1138 14.091 -3.815 -2.754 979 2HN PTR1139 HN PTR1139 9.941 -3.149 -5.208 980 2HN PTR1139 HN PTR1139 9.941 -3.149 -5.208 981 HA PTR1139 HA PTR1139 7.606 -2.612 -3.552 982 HA PTR1139 HA PTR1139 7.606 -2.612 -3.552 983 1HB PTR1139 HB1 PTR1139 7.605 -0.430 -5.036 984 1HB PTR1139 HB1 PTR1139 7.605 -0.430 -5.036 985 2HB PTR1139 HB2 PTR1139 9.319 -0.845 -5.170 986 2HB PTR1139 HB2 PTR1139 9.319 -0.845 -5.170 987 HD1 PTR1139 HD1 PTR1139 6.585 -0.150 -2.786 988 HD1 PTR1139 HD1 PTR1139 6.585 -0.150 -2.786 989 HD2 PTR1139 HD2 PTR1139 10.800 -0.504 -3.286 990 HD2 PTR1139 HD2 PTR1139 10.800 -0.504 -3.286 991 HE1 PTR1139 HE1 PTR1139 6.926 0.780 -0.551 992 HE1 PTR1139 HE1 PTR1139 6.926 0.780 -0.551 993 HE2 PTR1139 HE2 PTR1139 11.141 0.458 -1.010 994 HE2 PTR1139 HE2 PTR1139 11.141 0.458 -1.010 995 H VAL1140 HN VAL1140 7.421 -1.308 -6.754 996 HA VAL1140 HA VAL1140 6.182 -3.519 -7.967 997 HB VAL1140 HB VAL1140 4.575 -2.885 -5.970 998 1HG1 VAL1140 1HG1 VAL1140 4.219 -0.568 -6.587 999 2HG1 VAL1140 2HG1 VAL1140 2.712 -1.478 -6.629 1000 3HG1 VAL1140 3HG1 VAL1140 3.536 -1.074 -8.134 1001 1HG2 VAL1140 1HG2 VAL1140 4.228 -4.716 -7.537 1002 2HG2 VAL1140 2HG2 VAL1140 3.569 -3.585 -8.721 1003 3HG2 VAL1140 3HG2 VAL1140 2.713 -3.875 -7.206 1004 H ASN1141 HN ASN1141 5.448 0.049 -7.864 1005 HA ASN1141 HA ASN1141 4.764 0.267 -10.534 1006 1HB ASN1141 HB2 ASN1141 6.805 2.180 -9.385 1007 2HB ASN1141 HB1 ASN1141 5.592 2.486 -10.603 1008 1HD2 ASN1141 1HD2 ASN1141 5.598 1.324 -7.196 1009 2HD2 ASN1141 2HD2 ASN1141 4.368 2.428 -6.682 1010 H GLN1142 HN GLN1142 7.650 -0.323 -8.803 1011 HA GLN1142 HA GLN1142 8.751 -2.154 -10.394 1012 1HB GLN1142 HB2 GLN1142 10.410 -1.181 -11.700 1013 2HB GLN1142 HB1 GLN1142 9.079 -0.074 -11.915 1014 1HG GLN1142 HG2 GLN1142 11.294 0.382 -9.939 1015 2HG GLN1142 HG1 GLN1142 11.348 0.962 -11.596 1016 HA PRO1143 HA PRO1143 11.397 -2.280 -6.897 1017 1HB PRO1143 HB2 PRO1143 14.045 -1.758 -8.017 1018 2HB PRO1143 HB1 PRO1143 13.387 -3.282 -7.431 1019 1HG PRO1143 HG2 PRO1143 13.904 -2.750 -10.067 1020 2HG PRO1143 HG1 PRO1143 12.710 -3.932 -9.512 1021 1HD PRO1143 HD2 PRO1143 12.304 -1.175 -10.565 1022 2HD PRO1143 HD1 PRO1143 11.285 -2.618 -10.744 1023 H ASP1144 HN ASP1144 10.252 -0.021 -6.997 1024 HA ASP1144 HA ASP1144 10.226 2.225 -6.740 1025 1HB ASP1144 HB2 ASP1144 11.243 2.880 -4.581 1026 2HB ASP1144 HB1 ASP1144 10.359 1.363 -4.473 Start of MODEL 3 1 1H GLY 1 HT1 GLY 1 21.192 0.424 1.005 2 2H GLY 1 HT2 GLY 1 22.357 1.109 2.021 3 3H GLY 1 HT3 GLY 1 21.850 1.938 0.637 4 1HA GLY 1 HA1 GLY 1 20.620 1.764 3.247 5 2HA GLY 1 HA2 GLY 1 20.523 3.042 2.045 6 H SER 2 HN SER 2 19.508 -0.356 2.413 7 HA SER 2 HA SER 2 16.779 0.409 1.823 8 1HB SER 2 HB2 SER 2 17.539 0.063 -0.418 9 2HB SER 2 HB1 SER 2 18.330 -1.449 0.013 10 HG SER 2 HG SER 2 16.440 -2.091 -0.829 11 HA PRO 3 HA PRO 3 16.736 -4.261 3.191 12 1HB PRO 3 HB2 PRO 3 19.202 -5.232 3.974 13 2HB PRO 3 HB1 PRO 3 18.453 -5.539 2.403 14 1HG PRO 3 HG2 PRO 3 20.522 -3.512 3.154 15 2HG PRO 3 HG1 PRO 3 20.422 -4.529 1.703 16 1HD PRO 3 HD2 PRO 3 19.715 -1.955 1.631 17 2HD PRO 3 HD1 PRO 3 18.810 -3.178 0.718 18 H ALA 4 HN ALA 4 19.023 -1.970 4.550 19 HA ALA 4 HA ALA 4 17.852 -2.463 7.201 20 1HB ALA 4 HB1 ALA 4 20.345 -3.301 6.633 21 2HB ALA 4 HB2 ALA 4 19.833 -2.772 8.235 22 3HB ALA 4 HB3 ALA 4 20.686 -1.656 7.169 23 H SER 5 HN SER 5 18.267 -0.625 8.723 24 HA SER 5 HA SER 5 18.773 1.948 7.470 25 1HB SER 5 HB2 SER 5 16.636 2.912 8.250 26 2HB SER 5 HB1 SER 5 16.380 1.630 7.067 27 HG SER 5 HG SER 5 16.126 0.230 8.994 28 H GLY 6 HN GLY 6 19.199 3.626 8.962 29 1HA GLY 6 HA2 GLY 6 19.858 2.620 11.651 30 2HA GLY 6 HA1 GLY 6 20.655 3.967 10.851 31 H THR 7 HN THR 7 18.585 5.524 10.033 32 HA THR 7 HA THR 7 17.853 6.856 12.412 33 HB THR 7 HB THR 7 16.487 8.295 10.940 34 HG1 THR 7 HG1 THR 7 16.159 7.786 8.854 35 1HG2 THR 7 1HG2 THR 7 19.302 7.730 10.457 36 2HG2 THR 7 2HG2 THR 7 18.467 9.270 10.661 37 3HG2 THR 7 3HG2 THR 7 18.480 8.475 9.086 38 H SER 8 HN SER 8 15.924 6.997 13.508 39 HA SER 8 HA SER 8 13.636 5.451 12.603 40 1HB SER 8 HB2 SER 8 13.463 4.192 14.722 41 2HB SER 8 HB1 SER 8 14.936 3.787 13.841 42 HG SER 8 HG SER 8 16.124 4.773 15.329 43 H LEU 9 HN LEU 9 11.954 6.754 12.839 44 HA LEU 9 HA LEU 9 11.910 8.596 15.139 45 1HB LEU 9 HB2 LEU 9 10.697 8.956 12.397 46 2HB LEU 9 HB1 LEU 9 10.469 10.058 13.741 47 HG LEU 9 HG LEU 9 12.911 10.504 13.750 48 1HD1 LEU 9 1HD1 LEU 9 14.096 8.823 12.815 49 2HD1 LEU 9 2HD1 LEU 9 13.895 9.804 11.363 50 3HD1 LEU 9 3HD1 LEU 9 12.831 8.428 11.651 51 1HD2 LEU 9 1HD2 LEU 9 11.450 11.002 11.161 52 2HD2 LEU 9 2HD2 LEU 9 12.926 11.828 11.661 53 3HD2 LEU 9 3HD2 LEU 9 11.443 12.027 12.596 54 H SER 10 HN SER 10 9.434 9.409 15.330 55 HA SER 10 HA SER 10 8.004 7.062 16.185 56 1HB SER 10 HB2 SER 10 7.973 9.090 17.558 57 2HB SER 10 HB1 SER 10 7.211 9.985 16.244 58 HG SER 10 HG SER 10 6.129 8.109 17.988 59 H ALA 11 HN ALA 11 6.010 6.332 15.446 60 HA ALA 11 HA ALA 11 4.879 7.550 13.049 61 1HB ALA 11 HB1 ALA 11 5.869 4.705 13.144 62 2HB ALA 11 HB2 ALA 11 6.447 6.003 12.099 63 3HB ALA 11 HB3 ALA 11 4.822 5.354 11.882 64 H ALA 12 HN ALA 12 3.258 8.024 14.718 65 HA ALA 12 HA ALA 12 1.247 5.928 14.782 66 1HB ALA 12 HB1 ALA 12 0.928 5.913 17.129 67 2HB ALA 12 HB2 ALA 12 2.038 7.263 17.360 68 3HB ALA 12 HB3 ALA 12 2.657 5.690 16.861 69 H ILE 13 HN ILE 13 0.981 8.019 13.212 70 HA ILE 13 HA ILE 13 -0.280 10.255 14.519 71 HB ILE 13 HB ILE 13 1.001 10.556 12.438 72 1HG1 ILE 13 2HG1 ILE 13 -1.938 11.238 12.179 73 2HG1 ILE 13 1HG1 ILE 13 -0.734 12.184 13.044 74 1HG2 ILE 13 1HG2 ILE 13 -0.785 8.462 11.508 75 2HG2 ILE 13 2HG2 ILE 13 0.766 8.998 10.863 76 3HG2 ILE 13 3HG2 ILE 13 -0.716 9.836 10.404 77 1HD1 ILE 13 1HD1 ILE 13 -1.513 12.550 10.447 78 2HD1 ILE 13 2HD1 ILE 13 0.003 11.665 10.281 79 3HD1 ILE 13 3HD1 ILE 13 -0.040 13.181 11.182 80 H HIS 14 HN HIS 14 -1.721 8.385 15.530 81 HA HIS 14 HA HIS 14 -4.235 8.399 14.000 82 1HB HIS 14 HB2 HIS 14 -3.276 6.091 15.701 83 2HB HIS 14 HB1 HIS 14 -4.740 6.147 14.726 84 HD1 HIS 14 HD1 HIS 14 -1.034 6.653 14.018 85 HD2 HIS 14 HD2 HIS 14 -4.379 4.756 12.450 86 HE1 HIS 14 HE1 HIS 14 -0.228 5.482 11.950 87 HE2 HIS 14 HE2 HIS 14 -2.249 4.260 11.066 88 H ARG 15 HN ARG 15 -5.990 9.053 15.123 89 HA ARG 15 HA ARG 15 -5.697 9.296 18.030 90 1HB ARG 15 HB2 ARG 15 -7.174 11.276 17.928 91 2HB ARG 15 HB1 ARG 15 -5.665 11.501 17.048 92 1HG ARG 15 HG2 ARG 15 -6.783 11.123 14.940 93 2HG ARG 15 HG1 ARG 15 -8.285 10.721 15.768 94 1HD ARG 15 HD2 ARG 15 -6.926 13.419 15.629 95 2HD ARG 15 HD1 ARG 15 -8.476 12.951 14.934 96 HE ARG 15 HE ARG 15 -8.642 12.527 17.678 97 1HH1 ARG 15 HH11 ARG 15 -8.255 15.198 15.466 98 2HH1 ARG 15 HH12 ARG 15 -9.041 16.337 16.506 99 1HH2 ARG 15 HH21 ARG 15 -9.674 14.023 19.049 100 2HH2 ARG 15 HH22 ARG 15 -9.846 15.670 18.542 101 H THR 16 HN THR 16 -7.183 7.640 15.759 102 HA THR 16 HA THR 16 -9.376 6.906 17.531 103 HB THR 16 HB THR 16 -10.985 6.846 15.657 104 HG1 THR 16 HG1 THR 16 -10.433 7.765 13.698 105 1HG2 THR 16 1HG2 THR 16 -10.138 9.128 16.985 106 2HG2 THR 16 2HG2 THR 16 -11.644 8.911 16.093 107 3HG2 THR 16 3HG2 THR 16 -10.234 9.601 15.289 108 H GLN 17 HN GLN 17 -9.335 5.817 14.240 109 HA GLN 17 HA GLN 17 -7.756 3.462 14.814 110 1HB GLN 17 HB2 GLN 17 -9.658 1.972 14.006 111 2HB GLN 17 HB1 GLN 17 -9.803 2.619 15.633 112 1HG GLN 17 HG2 GLN 17 -11.927 2.742 14.522 113 2HG GLN 17 HG1 GLN 17 -11.304 4.370 14.781 114 H LEU 18 HN LEU 18 -7.324 5.602 13.092 115 HA LEU 18 HA LEU 18 -8.177 5.367 10.472 116 1HB LEU 18 HB2 LEU 18 -5.393 6.152 11.320 117 2HB LEU 18 HB1 LEU 18 -6.225 6.630 9.854 118 HG LEU 18 HG LEU 18 -6.914 7.485 12.664 119 1HD1 LEU 18 1HD1 LEU 18 -4.892 8.476 11.449 120 2HD1 LEU 18 2HD1 LEU 18 -6.087 9.593 12.110 121 3HD1 LEU 18 3HD1 LEU 18 -6.072 9.237 10.382 122 1HD2 LEU 18 1HD2 LEU 18 -8.873 7.131 11.101 123 2HD2 LEU 18 2HD2 LEU 18 -8.206 8.439 10.124 124 3HD2 LEU 18 3HD2 LEU 18 -8.701 8.745 11.789 125 H TRP 19 HN TRP 19 -6.361 4.926 8.670 126 HA TRP 19 HA TRP 19 -5.178 2.277 9.169 127 1HB TRP 19 HB2 TRP 19 -6.626 3.033 6.623 128 2HB TRP 19 HB1 TRP 19 -5.929 1.467 7.017 129 HD1 TRP 19 HD1 TRP 19 -7.551 -0.258 7.996 130 HE1 TRP 19 HE1 TRP 19 -9.937 -0.191 8.958 131 HE3 TRP 19 HE3 TRP 19 -8.255 4.805 8.068 132 HZ2 TRP 19 HZ2 TRP 19 -11.864 1.750 9.648 133 HZ3 TRP 19 HZ3 TRP 19 -10.400 5.685 8.890 134 HH2 TRP 19 HH2 TRP 19 -12.167 4.188 9.663 135 H PHE 20 HN PHE 20 -4.018 4.980 9.080 136 HA PHE 20 HA PHE 20 -2.242 4.622 6.761 137 1HB PHE 20 HB2 PHE 20 -3.593 6.612 6.452 138 2HB PHE 20 HB1 PHE 20 -3.153 7.199 8.051 139 HD1 PHE 20 HD1 PHE 20 -1.945 9.137 7.761 140 HD2 PHE 20 HD2 PHE 20 -1.072 5.773 5.308 141 HE1 PHE 20 HE1 PHE 20 -0.033 10.344 6.793 142 HE2 PHE 20 HE2 PHE 20 0.842 6.972 4.336 143 HZ PHE 20 HZ PHE 20 1.364 9.262 5.078 144 H HIS 21 HN HIS 21 -0.255 4.084 7.278 145 HA HIS 21 HA HIS 21 1.013 5.279 9.637 146 1HB HIS 21 HB2 HIS 21 0.112 3.039 10.273 147 2HB HIS 21 HB1 HIS 21 1.115 2.314 9.022 148 HD1 HIS 21 HD1 HIS 21 3.822 2.958 9.400 149 HD2 HIS 21 HD2 HIS 21 1.288 3.026 12.690 150 HE1 HIS 21 HE1 HIS 21 5.326 2.845 11.411 151 HE2 HIS 21 HE2 HIS 21 3.766 2.782 13.386 152 H GLY 22 HN GLY 22 3.400 5.265 9.515 153 1HA GLY 22 HA2 GLY 22 4.273 5.202 6.722 154 2HA GLY 22 HA1 GLY 22 5.059 6.067 8.027 155 H ARG 23 HN ARG 23 6.598 5.109 9.183 156 HA ARG 23 HA ARG 23 8.220 3.223 8.137 157 1HB ARG 23 HB2 ARG 23 8.874 4.656 9.979 158 2HB ARG 23 HB1 ARG 23 7.782 3.818 11.063 159 1HG ARG 23 HG2 ARG 23 10.097 3.140 11.409 160 2HG ARG 23 HG1 ARG 23 9.098 1.791 10.867 161 1HD ARG 23 HD2 ARG 23 9.928 2.125 8.575 162 2HD ARG 23 HD1 ARG 23 10.954 3.437 9.152 163 HE ARG 23 HE ARG 23 11.527 1.150 10.653 164 1HH1 ARG 23 HH11 ARG 23 11.856 2.320 7.381 165 2HH1 ARG 23 HH12 ARG 23 13.262 1.365 7.050 166 1HH2 ARG 23 HH21 ARG 23 13.376 -0.106 10.218 167 2HH2 ARG 23 HH22 ARG 23 14.125 -0.012 8.659 168 H ILE 24 HN ILE 24 7.390 1.344 7.383 169 HA ILE 24 HA ILE 24 6.996 -0.729 9.334 170 HB ILE 24 HB ILE 24 4.695 0.070 9.124 171 1HG1 ILE 24 2HG1 ILE 24 5.177 -2.589 7.771 172 2HG1 ILE 24 1HG1 ILE 24 5.077 -2.314 9.504 173 1HG2 ILE 24 1HG2 ILE 24 4.463 -0.822 6.320 174 2HG2 ILE 24 2HG2 ILE 24 5.242 0.732 6.611 175 3HG2 ILE 24 3HG2 ILE 24 3.599 0.448 7.184 176 1HD1 ILE 24 1HD1 ILE 24 2.738 -1.360 8.064 177 2HD1 ILE 24 2HD1 ILE 24 2.855 -2.395 9.488 178 3HD1 ILE 24 3HD1 ILE 24 3.020 -3.090 7.876 179 H SER 25 HN SER 25 8.896 -1.496 8.459 180 HA SER 25 HA SER 25 9.857 -1.813 6.010 181 1HB SER 25 HB2 SER 25 9.795 -4.012 8.083 182 2HB SER 25 HB1 SER 25 10.903 -3.939 6.712 183 HG SER 25 HG SER 25 11.695 -3.092 8.784 184 H ARG 26 HN ARG 26 9.006 -2.353 4.140 185 HA ARG 26 HA ARG 26 6.661 -3.823 3.791 186 1HB ARG 26 HB2 ARG 26 6.923 -2.671 1.882 187 2HB ARG 26 HB1 ARG 26 8.655 -2.555 2.088 188 1HG ARG 26 HG2 ARG 26 7.475 -5.128 1.149 189 2HG ARG 26 HG1 ARG 26 7.613 -3.780 0.027 190 1HD ARG 26 HD2 ARG 26 9.931 -4.870 1.618 191 2HD ARG 26 HD1 ARG 26 9.521 -5.423 0.001 192 HE ARG 26 HE ARG 26 10.360 -3.454 -0.870 193 1HH1 ARG 26 HH11 ARG 26 10.331 -3.283 2.625 194 2HH1 ARG 26 HH12 ARG 26 11.197 -1.787 2.678 195 1HH2 ARG 26 HH21 ARG 26 11.503 -1.495 -0.785 196 2HH2 ARG 26 HH22 ARG 26 11.863 -0.774 0.748 197 H GLU 27 HN GLU 27 10.039 -4.880 3.587 198 HA GLU 27 HA GLU 27 9.502 -7.495 2.716 199 1HB GLU 27 HB2 GLU 27 11.752 -8.040 3.555 200 2HB GLU 27 HB1 GLU 27 11.743 -6.555 2.618 201 1HG GLU 27 HG2 GLU 27 13.105 -6.043 4.409 202 2HG GLU 27 HG1 GLU 27 11.549 -5.368 4.888 203 H GLU 28 HN GLU 28 9.645 -6.067 5.934 204 HA GLU 28 HA GLU 28 9.225 -8.589 7.271 205 1HB GLU 28 HB2 GLU 28 10.437 -6.420 8.120 206 2HB GLU 28 HB1 GLU 28 8.814 -5.922 8.576 207 1HG GLU 28 HG2 GLU 28 10.277 -8.374 9.524 208 2HG GLU 28 HG1 GLU 28 9.934 -6.918 10.457 209 H SER 29 HN SER 29 7.301 -5.973 6.046 210 HA SER 29 HA SER 29 4.956 -6.312 7.529 211 1HB SER 29 HB2 SER 29 5.358 -5.364 4.690 212 2HB SER 29 HB1 SER 29 3.836 -5.225 5.570 213 HG SER 29 HG SER 29 4.894 -3.317 5.859 214 H GLN 30 HN GLN 30 5.924 -7.762 4.431 215 HA GLN 30 HA GLN 30 3.565 -9.235 4.053 216 1HB GLN 30 HB2 GLN 30 4.865 -10.555 2.433 217 2HB GLN 30 HB1 GLN 30 5.092 -8.826 2.222 218 1HG GLN 30 HG2 GLN 30 7.227 -8.985 3.429 219 2HG GLN 30 HG1 GLN 30 7.002 -10.728 3.554 220 H ARG 31 HN ARG 31 6.093 -9.683 6.286 221 HA ARG 31 HA ARG 31 5.908 -12.525 6.518 222 1HB ARG 31 HB2 ARG 31 7.903 -11.251 7.244 223 2HB ARG 31 HB1 ARG 31 6.944 -10.494 8.506 224 1HG ARG 31 HG2 ARG 31 8.204 -12.216 9.523 225 2HG ARG 31 HG1 ARG 31 6.534 -12.778 9.443 226 1HD ARG 31 HD2 ARG 31 8.656 -13.498 7.427 227 2HD ARG 31 HD1 ARG 31 8.253 -14.491 8.824 228 HE ARG 31 HE ARG 31 6.847 -14.377 6.375 229 1HH1 ARG 31 HH11 ARG 31 6.338 -14.675 9.816 230 2HH1 ARG 31 HH12 ARG 31 4.826 -15.501 9.646 231 1HH2 ARG 31 HH21 ARG 31 4.860 -15.465 6.152 232 2HH2 ARG 31 HH22 ARG 31 3.987 -15.951 7.567 233 H LEU 32 HN LEU 32 4.573 -9.769 8.315 234 HA LEU 32 HA LEU 32 3.006 -11.516 10.019 235 1HB LEU 32 HB2 LEU 32 3.139 -8.513 9.788 236 2HB LEU 32 HB1 LEU 32 2.104 -9.355 10.924 237 HG LEU 32 HG LEU 32 4.099 -10.343 11.990 238 1HD1 LEU 32 1HD1 LEU 32 5.746 -10.461 10.368 239 2HD1 LEU 32 2HD1 LEU 32 6.291 -9.122 11.378 240 3HD1 LEU 32 3HD1 LEU 32 5.490 -8.798 9.841 241 1HD2 LEU 32 1HD2 LEU 32 3.357 -8.462 13.116 242 2HD2 LEU 32 2HD2 LEU 32 3.775 -7.376 11.790 243 3HD2 LEU 32 3HD2 LEU 32 5.048 -8.071 12.795 244 H ILE 33 HN ILE 33 2.261 -8.967 7.634 245 HA ILE 33 HA ILE 33 -0.529 -9.529 7.617 246 HB ILE 33 HB ILE 33 1.187 -7.970 5.680 247 1HG1 ILE 33 2HG1 ILE 33 0.038 -6.021 6.723 248 2HG1 ILE 33 1HG1 ILE 33 -0.742 -7.122 7.853 249 1HG2 ILE 33 1HG2 ILE 33 -1.198 -7.018 5.105 250 2HG2 ILE 33 2HG2 ILE 33 -1.717 -8.621 5.625 251 3HG2 ILE 33 3HG2 ILE 33 -0.570 -8.453 4.296 252 1HD1 ILE 33 1HD1 ILE 33 2.239 -6.935 7.625 253 2HD1 ILE 33 2HD1 ILE 33 1.272 -7.602 8.940 254 3HD1 ILE 33 3HD1 ILE 33 1.303 -5.860 8.663 255 H GLY 34 HN GLY 34 2.069 -11.229 6.315 256 1HA GLY 34 HA2 GLY 34 0.503 -12.235 4.053 257 2HA GLY 34 HA1 GLY 34 2.206 -12.555 4.350 258 H GLN 35 HN GLN 35 -0.047 -12.763 6.917 259 HA GLN 35 HA GLN 35 0.143 -15.688 6.881 260 1HB GLN 35 HB2 GLN 35 -0.049 -15.688 9.241 261 2HB GLN 35 HB1 GLN 35 1.081 -14.391 8.884 262 1HG GLN 35 HG2 GLN 35 -0.283 -13.452 10.485 263 2HG GLN 35 HG1 GLN 35 -0.999 -12.865 8.984 264 H GLN 36 HN GLN 36 -1.856 -12.991 6.357 265 HA GLN 36 HA GLN 36 -4.330 -14.113 7.221 266 1HB GLN 36 HB2 GLN 36 -3.493 -11.714 5.705 267 2HB GLN 36 HB1 GLN 36 -5.121 -12.299 5.389 268 1HG GLN 36 HG2 GLN 36 -5.832 -11.300 7.221 269 2HG GLN 36 HG1 GLN 36 -4.757 -12.305 8.188 270 H GLY 37 HN GLY 37 -5.753 -15.390 6.130 271 1HA GLY 37 HA2 GLY 37 -4.850 -16.396 3.520 272 2HA GLY 37 HA1 GLY 37 -5.972 -17.213 4.605 273 H LEU 38 HN LEU 38 -6.456 -13.842 4.102 274 HA LEU 38 HA LEU 38 -9.003 -14.362 2.868 275 1HB LEU 38 HB2 LEU 38 -7.624 -11.776 3.582 276 2HB LEU 38 HB1 LEU 38 -9.251 -11.887 2.941 277 HG LEU 38 HG LEU 38 -9.336 -11.566 5.334 278 1HD1 LEU 38 1HD1 LEU 38 -10.759 -13.392 3.977 279 2HD1 LEU 38 2HD1 LEU 38 -11.012 -13.031 5.685 280 3HD1 LEU 38 3HD1 LEU 38 -10.042 -14.425 5.213 281 1HD2 LEU 38 1HD2 LEU 38 -8.294 -12.950 6.913 282 2HD2 LEU 38 2HD2 LEU 38 -7.055 -12.645 5.696 283 3HD2 LEU 38 3HD2 LEU 38 -7.915 -14.184 5.711 284 H VAL 39 HN VAL 39 -9.640 -12.753 1.046 285 HA VAL 39 HA VAL 39 -7.984 -13.375 -1.218 286 HB VAL 39 HB VAL 39 -9.753 -12.296 -2.545 287 1HG1 VAL 39 1HG1 VAL 39 -11.243 -14.036 -2.352 288 2HG1 VAL 39 2HG1 VAL 39 -11.196 -14.023 -0.589 289 3HG1 VAL 39 3HG1 VAL 39 -9.848 -14.702 -1.503 290 1HG2 VAL 39 1HG2 VAL 39 -10.440 -11.215 0.072 291 2HG2 VAL 39 2HG2 VAL 39 -11.830 -11.906 -0.769 292 3HG2 VAL 39 3HG2 VAL 39 -10.874 -10.641 -1.540 293 H ASP 40 HN ASP 40 -7.905 -11.538 -2.963 294 HA ASP 40 HA ASP 40 -6.049 -9.609 -2.018 295 1HB ASP 40 HB2 ASP 40 -7.607 -9.529 -4.608 296 2HB ASP 40 HB1 ASP 40 -6.091 -8.719 -4.265 297 H GLY 41 HN GLY 41 -8.027 -9.304 -0.344 298 1HA GLY 41 HA2 GLY 41 -9.253 -6.727 -1.184 299 2HA GLY 41 HA1 GLY 41 -10.204 -7.947 -0.342 300 H LEU 42 HN LEU 42 -7.343 -8.309 1.063 301 HA LEU 42 HA LEU 42 -8.071 -6.440 3.182 302 1HB LEU 42 HB2 LEU 42 -6.324 -8.895 3.165 303 2HB LEU 42 HB1 LEU 42 -6.442 -7.820 4.541 304 HG LEU 42 HG LEU 42 -7.847 -9.894 4.685 305 1HD1 LEU 42 1HD1 LEU 42 -8.304 -7.554 5.762 306 2HD1 LEU 42 2HD1 LEU 42 -9.508 -8.838 5.862 307 3HD1 LEU 42 3HD1 LEU 42 -9.688 -7.552 4.669 308 1HD2 LEU 42 1HD2 LEU 42 -9.839 -10.091 3.388 309 2HD2 LEU 42 2HD2 LEU 42 -8.485 -9.905 2.275 310 3HD2 LEU 42 3HD2 LEU 42 -9.549 -8.539 2.605 311 H PHE 43 HN PHE 43 -7.283 -4.571 2.517 312 HA PHE 43 HA PHE 43 -4.369 -4.424 2.113 313 1HB PHE 43 HB2 PHE 43 -4.660 -2.630 0.544 314 2HB PHE 43 HB1 PHE 43 -5.692 -3.965 0.048 315 HD1 PHE 43 HD1 PHE 43 -7.566 -2.895 2.613 316 HD2 PHE 43 HD2 PHE 43 -6.148 -1.405 -1.112 317 HE1 PHE 43 HE1 PHE 43 -9.448 -1.327 2.532 318 HE2 PHE 43 HE2 PHE 43 -8.038 0.165 -1.200 319 HZ PHE 43 HZ PHE 43 -9.689 0.207 0.625 320 H LEU 44 HN LEU 44 -3.336 -2.400 2.668 321 HA LEU 44 HA LEU 44 -4.740 -0.711 4.602 322 1HB LEU 44 HB2 LEU 44 -3.569 -2.449 5.915 323 2HB LEU 44 HB1 LEU 44 -2.060 -2.004 5.144 324 HG LEU 44 HG LEU 44 -2.255 0.272 6.173 325 1HD1 LEU 44 1HD1 LEU 44 -4.867 -0.316 6.527 326 2HD1 LEU 44 2HD1 LEU 44 -3.997 0.919 7.436 327 3HD1 LEU 44 3HD1 LEU 44 -4.233 -0.685 8.130 328 1HD2 LEU 44 1HD2 LEU 44 -2.417 -1.764 8.358 329 2HD2 LEU 44 2HD2 LEU 44 -1.328 -0.387 8.183 330 3HD2 LEU 44 3HD2 LEU 44 -1.099 -1.825 7.188 331 H VAL 45 HN VAL 45 -3.952 1.430 4.647 332 HA VAL 45 HA VAL 45 -2.072 2.022 2.465 333 HB VAL 45 HB VAL 45 -3.937 3.897 3.936 334 1HG1 VAL 45 1HG1 VAL 45 -1.848 4.953 3.079 335 2HG1 VAL 45 2HG1 VAL 45 -3.317 5.561 2.315 336 3HG1 VAL 45 3HG1 VAL 45 -2.290 4.410 1.459 337 1HG2 VAL 45 1HG2 VAL 45 -5.125 3.945 1.740 338 2HG2 VAL 45 2HG2 VAL 45 -5.203 2.390 2.569 339 3HG2 VAL 45 3HG2 VAL 45 -4.095 2.613 1.213 340 H ARG 46 HN ARG 46 -0.153 1.605 3.426 341 HA ARG 46 HA ARG 46 0.606 3.446 5.588 342 1HB ARG 46 HB2 ARG 46 2.047 1.750 6.541 343 2HB ARG 46 HB1 ARG 46 0.422 1.097 6.408 344 1HG ARG 46 HG2 ARG 46 1.966 -0.601 5.761 345 2HG ARG 46 HG1 ARG 46 1.125 -0.051 4.310 346 1HD ARG 46 HD2 ARG 46 2.978 1.110 3.528 347 2HD ARG 46 HD1 ARG 46 3.737 1.161 5.112 348 HE ARG 46 HE ARG 46 3.447 -1.440 3.831 349 1HH1 ARG 46 HH11 ARG 46 5.491 1.224 4.780 350 2HH1 ARG 46 HH12 ARG 46 6.960 0.401 4.392 351 1HH2 ARG 46 HH21 ARG 46 5.408 -2.501 3.292 352 2HH2 ARG 46 HH22 ARG 46 6.909 -1.679 3.557 353 H GLU 47 HN GLU 47 3.171 3.624 5.625 354 HA GLU 47 HA GLU 47 4.121 3.406 2.883 355 1HB GLU 47 HB2 GLU 47 4.843 5.740 2.842 356 2HB GLU 47 HB1 GLU 47 3.106 5.593 2.959 357 1HG GLU 47 HG2 GLU 47 3.239 6.053 5.357 358 2HG GLU 47 HG1 GLU 47 4.986 6.239 5.215 359 H SER 48 HN SER 48 6.380 5.155 3.412 360 HA SER 48 HA SER 48 7.794 3.636 5.458 361 1HB SER 48 HB2 SER 48 9.715 3.310 3.963 362 2HB SER 48 HB1 SER 48 8.279 2.530 3.305 363 HG SER 48 HG SER 48 8.885 3.621 1.591 364 H GLN 49 HN GLN 49 9.192 4.814 6.595 365 HA GLN 49 HA GLN 49 9.387 7.646 5.886 366 1HB GLN 49 HB2 GLN 49 9.901 8.059 8.196 367 2HB GLN 49 HB1 GLN 49 8.526 6.954 8.160 368 1HG GLN 49 HG2 GLN 49 9.966 6.196 9.858 369 2HG GLN 49 HG1 GLN 49 10.155 5.081 8.507 370 H ARG 50 HN ARG 50 10.879 5.114 4.936 371 HA ARG 50 HA ARG 50 13.627 6.046 5.360 372 1HB ARG 50 HB2 ARG 50 13.242 3.729 6.047 373 2HB ARG 50 HB1 ARG 50 12.599 3.348 4.457 374 1HG ARG 50 HG2 ARG 50 14.837 2.517 4.615 375 2HG ARG 50 HG1 ARG 50 14.811 3.868 3.480 376 1HD ARG 50 HD2 ARG 50 15.576 4.155 6.379 377 2HD ARG 50 HD1 ARG 50 16.744 3.824 5.102 378 HE ARG 50 HE ARG 50 15.292 6.064 4.331 379 1HH1 ARG 50 HH11 ARG 50 17.489 5.146 6.881 380 2HH1 ARG 50 HH12 ARG 50 18.114 6.746 7.090 381 1HH2 ARG 50 HH21 ARG 50 16.113 8.171 4.604 382 2HH2 ARG 50 HH22 ARG 50 17.332 8.464 5.798 383 H ASN 51 HN ASN 51 11.190 5.203 2.926 384 HA ASN 51 HA ASN 51 13.022 5.690 0.750 385 1HB ASN 51 HB2 ASN 51 10.016 5.380 0.709 386 2HB ASN 51 HB1 ASN 51 11.093 5.297 -0.683 387 1HD2 ASN 51 1HD2 ASN 51 12.878 3.909 1.630 388 2HD2 ASN 51 2HD2 ASN 51 12.377 2.268 1.467 389 HA PRO 52 HA PRO 52 12.904 10.187 0.857 390 1HB PRO 52 HB2 PRO 52 12.913 9.639 -2.093 391 2HB PRO 52 HB1 PRO 52 13.841 10.831 -1.175 392 1HG PRO 52 HG2 PRO 52 14.946 8.524 -1.977 393 2HG PRO 52 HG1 PRO 52 15.368 9.269 -0.425 394 1HD PRO 52 HD2 PRO 52 13.800 6.831 -0.971 395 2HD PRO 52 HD1 PRO 52 14.648 7.319 0.508 396 H GLN 53 HN GLN 53 10.943 8.203 -1.251 397 HA GLN 53 HA GLN 53 8.665 10.024 -0.876 398 1HB GLN 53 HB2 GLN 53 9.307 8.410 -3.357 399 2HB GLN 53 HB1 GLN 53 7.879 9.404 -3.120 400 1HG GLN 53 HG2 GLN 53 9.285 11.395 -2.978 401 2HG GLN 53 HG1 GLN 53 10.717 10.398 -3.218 402 H GLY 54 HN GLY 54 8.292 8.624 0.995 403 1HA GLY 54 HA2 GLY 54 7.589 5.866 0.351 404 2HA GLY 54 HA1 GLY 54 7.840 6.519 1.955 405 H PHE 55 HN PHE 55 5.641 6.035 -0.611 406 HA PHE 55 HA PHE 55 3.340 6.325 1.145 407 1HB PHE 55 HB2 PHE 55 3.519 7.568 -1.625 408 2HB PHE 55 HB1 PHE 55 2.046 7.442 -0.670 409 HD1 PHE 55 HD1 PHE 55 5.532 8.742 -0.329 410 HD2 PHE 55 HD2 PHE 55 1.398 9.285 0.522 411 HE1 PHE 55 HE1 PHE 55 6.039 10.900 0.736 412 HE2 PHE 55 HE2 PHE 55 1.897 11.447 1.585 413 HZ PHE 55 HZ PHE 55 4.221 12.256 1.693 414 H VAL 56 HN VAL 56 2.636 4.291 1.192 415 HA VAL 56 HA VAL 56 2.391 2.812 -1.334 416 HB VAL 56 HB VAL 56 3.777 1.184 -0.690 417 1HG1 VAL 56 1HG1 VAL 56 5.463 1.894 0.561 418 2HG1 VAL 56 2HG1 VAL 56 4.481 1.839 2.020 419 3HG1 VAL 56 3HG1 VAL 56 4.489 3.287 1.016 420 1HG2 VAL 56 1HG2 VAL 56 3.411 -0.082 1.464 421 2HG2 VAL 56 2HG2 VAL 56 2.042 -0.035 0.354 422 3HG2 VAL 56 3HG2 VAL 56 2.060 1.003 1.779 423 H LEU 57 HN LEU 57 1.024 1.001 -1.303 424 HA LEU 57 HA LEU 57 -1.167 1.092 0.642 425 1HB LEU 57 HB2 LEU 57 -1.691 1.968 -1.756 426 2HB LEU 57 HB1 LEU 57 -1.554 0.287 -2.237 427 HG LEU 57 HG LEU 57 -3.569 1.502 -0.359 428 1HD1 LEU 57 1HD1 LEU 57 -3.577 0.494 -3.130 429 2HD1 LEU 57 2HD1 LEU 57 -4.548 1.758 -2.373 430 3HD1 LEU 57 3HD1 LEU 57 -4.965 0.061 -2.133 431 1HD2 LEU 57 1HD2 LEU 57 -2.846 -1.372 -0.811 432 2HD2 LEU 57 2HD2 LEU 57 -4.448 -0.887 -0.265 433 3HD2 LEU 57 3HD2 LEU 57 -3.030 -0.509 0.714 434 H SER 58 HN SER 58 -1.342 -0.860 1.641 435 HA SER 58 HA SER 58 0.294 -3.034 0.579 436 1HB SER 58 HB2 SER 58 -1.039 -2.847 3.286 437 2HB SER 58 HB1 SER 58 0.246 -3.955 2.803 438 HG SER 58 HG SER 58 0.534 -1.138 2.765 439 H LEU 59 HN LEU 59 -0.496 -4.829 -0.232 440 HA LEU 59 HA LEU 59 -3.401 -5.245 -0.144 441 1HB LEU 59 HB2 LEU 59 -1.278 -6.048 -2.115 442 2HB LEU 59 HB1 LEU 59 -2.868 -6.785 -2.125 443 HG LEU 59 HG LEU 59 -2.422 -4.838 -3.744 444 1HD1 LEU 59 1HD1 LEU 59 -4.719 -5.719 -2.416 445 2HD1 LEU 59 2HD1 LEU 59 -4.631 -4.809 -3.925 446 3HD1 LEU 59 3HD1 LEU 59 -4.801 -3.957 -2.389 447 1HD2 LEU 59 1HD2 LEU 59 -2.987 -3.201 -1.284 448 2HD2 LEU 59 2HD2 LEU 59 -2.622 -2.623 -2.911 449 3HD2 LEU 59 3HD2 LEU 59 -1.369 -3.416 -1.956 450 H CYS 60 HN CYS 60 -4.145 -7.504 -0.135 451 HA CYS 60 HA CYS 60 -2.347 -9.422 1.082 452 1HB CYS 60 HB2 CYS 60 -3.586 -8.216 2.945 453 2HB CYS 60 HB1 CYS 60 -5.071 -8.854 2.254 454 HG CYS 60 HG CYS 60 -4.884 -11.299 3.144 455 H HIS 61 HN HIS 61 -2.431 -10.253 -0.900 456 HA HIS 61 HA HIS 61 -4.932 -11.041 -2.048 457 1HB HIS 61 HB2 HIS 61 -3.602 -10.235 -3.648 458 2HB HIS 61 HB1 HIS 61 -2.129 -10.666 -2.832 459 HD1 HIS 61 HD1 HIS 61 -0.974 -11.591 -4.855 460 HD2 HIS 61 HD2 HIS 61 -4.690 -13.343 -4.272 461 HE1 HIS 61 HE1 HIS 61 -1.106 -13.459 -6.526 462 HE2 HIS 61 HE2 HIS 61 -3.395 -14.455 -6.202 463 H LEU 62 HN LEU 62 -5.105 -13.390 -2.835 464 HA LEU 62 HA LEU 62 -4.371 -15.042 -0.543 465 1HB LEU 62 HB2 LEU 62 -6.008 -16.680 -1.376 466 2HB LEU 62 HB1 LEU 62 -6.704 -15.108 -1.064 467 HG LEU 62 HG LEU 62 -7.566 -16.288 -3.105 468 1HD1 LEU 62 1HD1 LEU 62 -6.868 -13.559 -2.777 469 2HD1 LEU 62 2HD1 LEU 62 -8.195 -14.262 -3.696 470 3HD1 LEU 62 3HD1 LEU 62 -6.633 -13.992 -4.473 471 1HD2 LEU 62 1HD2 LEU 62 -6.254 -16.344 -5.109 472 2HD2 LEU 62 2HD2 LEU 62 -5.399 -17.218 -3.841 473 3HD2 LEU 62 3HD2 LEU 62 -4.889 -15.589 -4.288 474 H GLN 63 HN GLN 63 -2.398 -14.403 -2.092 475 HA GLN 63 HA GLN 63 -1.362 -16.973 -2.407 476 1HB GLN 63 HB2 GLN 63 -1.321 -15.127 -4.794 477 2HB GLN 63 HB1 GLN 63 -0.309 -16.551 -4.647 478 1HG GLN 63 HG2 GLN 63 -2.296 -17.961 -4.554 479 2HG GLN 63 HG1 GLN 63 -3.317 -16.532 -4.694 480 H LYS 64 HN LYS 64 -1.066 -13.511 -2.409 481 HA LYS 64 HA LYS 64 1.376 -13.770 -0.902 482 1HB LYS 64 HB2 LYS 64 2.623 -12.163 -2.360 483 2HB LYS 64 HB1 LYS 64 2.339 -13.738 -3.088 484 1HG LYS 64 HG2 LYS 64 0.481 -12.823 -4.370 485 2HG LYS 64 HG1 LYS 64 0.745 -11.243 -3.630 486 1HD LYS 64 HD2 LYS 64 2.958 -11.125 -4.624 487 2HD LYS 64 HD1 LYS 64 2.751 -12.735 -5.318 488 1HE LYS 64 HE2 LYS 64 2.352 -10.999 -6.985 489 2HE LYS 64 HE1 LYS 64 0.884 -11.921 -6.662 490 1HZ LYS 64 HZ1 LYS 64 1.224 -9.171 -6.516 491 2HZ LYS 64 HZ2 LYS 64 1.016 -9.703 -4.924 492 3HZ LYS 64 HZ3 LYS 64 -0.151 -10.063 -6.096 493 H VAL 65 HN VAL 65 2.267 -11.369 -0.586 494 HA VAL 65 HA VAL 65 0.090 -9.458 -0.224 495 HB VAL 65 HB VAL 65 0.756 -8.931 2.061 496 1HG1 VAL 65 1HG1 VAL 65 -0.315 -10.716 3.120 497 2HG1 VAL 65 2HG1 VAL 65 0.335 -11.897 1.980 498 3HG1 VAL 65 3HG1 VAL 65 -0.924 -10.773 1.466 499 1HG2 VAL 65 1HG2 VAL 65 2.276 -10.594 3.241 500 2HG2 VAL 65 2HG2 VAL 65 3.045 -9.455 2.136 501 3HG2 VAL 65 3HG2 VAL 65 2.769 -11.122 1.632 502 H LYS 66 HN LYS 66 0.755 -7.425 -0.830 503 HA LYS 66 HA LYS 66 3.646 -6.895 -0.811 504 1HB LYS 66 HB2 LYS 66 3.534 -6.019 -3.122 505 2HB LYS 66 HB1 LYS 66 3.224 -7.744 -3.014 506 1HG LYS 66 HG2 LYS 66 0.783 -7.223 -3.088 507 2HG LYS 66 HG1 LYS 66 1.215 -5.547 -3.426 508 1HD LYS 66 HD2 LYS 66 1.933 -7.954 -5.100 509 2HD LYS 66 HD1 LYS 66 0.718 -6.737 -5.490 510 1HE LYS 66 HE2 LYS 66 2.613 -6.150 -6.751 511 2HE LYS 66 HE1 LYS 66 2.595 -5.041 -5.383 512 1HZ LYS 66 HZ1 LYS 66 4.684 -6.632 -6.173 513 2HZ LYS 66 HZ2 LYS 66 4.083 -7.394 -4.789 514 3HZ LYS 66 HZ3 LYS 66 4.566 -5.774 -4.721 515 H HIS 67 HN HIS 67 3.814 -4.530 -2.058 516 HA HIS 67 HA HIS 67 1.945 -2.698 -0.726 517 1HB HIS 67 HB2 HIS 67 4.964 -2.526 -0.598 518 2HB HIS 67 HB1 HIS 67 3.842 -1.343 0.064 519 HD1 HIS 67 HD1 HIS 67 2.262 -2.276 2.045 520 HD2 HIS 67 HD2 HIS 67 5.565 -4.590 1.071 521 HE1 HIS 67 HE1 HIS 67 2.550 -3.873 3.963 522 HE2 HIS 67 HE2 HIS 67 4.400 -5.411 3.223 523 H TYR 68 HN TYR 68 1.540 -0.811 -1.822 524 HA TYR 68 HA TYR 68 2.736 -0.556 -4.498 525 1HB TYR 68 HB2 TYR 68 0.058 0.231 -3.386 526 2HB TYR 68 HB1 TYR 68 0.653 0.893 -4.901 527 HD1 TYR 68 HD1 TYR 68 -1.472 -0.092 -5.832 528 HD2 TYR 68 HD2 TYR 68 1.661 -2.513 -4.282 529 HE1 TYR 68 HE1 TYR 68 -2.365 -2.026 -7.057 530 HE2 TYR 68 HE2 TYR 68 0.773 -4.452 -5.499 531 HH TYR 68 HH TYR 68 -0.618 -4.916 -7.449 532 H LEU 69 HN LEU 69 4.612 0.667 -3.660 533 HA LEU 69 HA LEU 69 3.901 3.499 -3.315 534 1HB LEU 69 HB2 LEU 69 4.281 3.092 -1.109 535 2HB LEU 69 HB1 LEU 69 5.496 1.894 -1.404 536 HG LEU 69 HG LEU 69 6.075 4.282 -0.394 537 1HD1 LEU 69 1HD1 LEU 69 7.593 2.430 -2.105 538 2HD1 LEU 69 2HD1 LEU 69 7.902 2.974 -0.458 539 3HD1 LEU 69 3HD1 LEU 69 8.316 4.009 -1.824 540 1HD2 LEU 69 1HD2 LEU 69 6.295 6.017 -1.811 541 2HD2 LEU 69 2HD2 LEU 69 5.213 5.118 -2.861 542 3HD2 LEU 69 3HD2 LEU 69 6.955 5.011 -3.091 543 H ILE 70 HN ILE 70 4.875 4.525 -4.924 544 HA ILE 70 HA ILE 70 7.745 4.231 -4.866 545 HB ILE 70 HB ILE 70 6.366 3.562 -7.424 546 1HG1 ILE 70 2HG1 ILE 70 8.161 2.201 -5.449 547 2HG1 ILE 70 1HG1 ILE 70 6.609 1.660 -6.056 548 1HG2 ILE 70 1HG2 ILE 70 8.593 5.157 -7.306 549 2HG2 ILE 70 2HG2 ILE 70 8.168 4.108 -8.656 550 3HG2 ILE 70 3HG2 ILE 70 9.286 3.542 -7.417 551 1HD1 ILE 70 1HD1 ILE 70 8.417 0.314 -6.895 552 2HD1 ILE 70 2HD1 ILE 70 9.172 1.747 -7.577 553 3HD1 ILE 70 3HD1 ILE 70 7.629 1.194 -8.198 554 H LEU 71 HN LEU 71 5.042 5.782 -6.285 555 HA LEU 71 HA LEU 71 6.554 8.295 -6.061 556 1HB LEU 71 HB2 LEU 71 4.902 8.054 -8.494 557 2HB LEU 71 HB1 LEU 71 6.426 8.874 -8.257 558 HG LEU 71 HG LEU 71 7.446 6.495 -8.183 559 1HD1 LEU 71 1HD1 LEU 71 4.949 5.613 -8.170 560 2HD1 LEU 71 2HD1 LEU 71 6.264 4.710 -8.921 561 3HD1 LEU 71 3HD1 LEU 71 5.184 5.686 -9.915 562 1HD2 LEU 71 1HD2 LEU 71 7.943 7.966 -10.004 563 2HD2 LEU 71 2HD2 LEU 71 6.359 7.685 -10.728 564 3HD2 LEU 71 3HD2 LEU 71 7.547 6.376 -10.668 565 HA PRO 72 HA PRO 72 2.487 9.174 -4.327 566 1HB PRO 72 HB2 PRO 72 3.257 11.115 -2.660 567 2HB PRO 72 HB1 PRO 72 3.654 9.423 -2.344 568 1HG PRO 72 HG2 PRO 72 5.369 11.587 -3.493 569 2HG PRO 72 HG1 PRO 72 5.782 10.353 -2.289 570 1HD PRO 72 HD2 PRO 72 6.388 10.176 -4.971 571 2HD PRO 72 HD1 PRO 72 6.228 8.782 -3.886 572 H SER 73 HN SER 73 1.811 11.728 -3.578 573 HA SER 73 HA SER 73 0.792 12.888 -5.836 574 1HB SER 73 HB2 SER 73 0.453 14.923 -4.481 575 2HB SER 73 HB1 SER 73 0.027 13.462 -3.589 576 HG SER 73 HG SER 73 1.311 14.956 -2.371 577 H GLU 74 HN GLU 74 1.716 13.746 -7.549 578 HA GLU 74 HA GLU 74 4.200 15.292 -7.182 579 1HB GLU 74 HB2 GLU 74 3.414 13.419 -9.408 580 2HB GLU 74 HB1 GLU 74 4.713 14.594 -9.577 581 1HG GLU 74 HG2 GLU 74 6.002 13.562 -7.896 582 2HG GLU 74 HG1 GLU 74 4.647 12.574 -7.360 583 H GLU 75 HN GLU 75 4.519 16.561 -9.497 584 HA GLU 75 HA GLU 75 2.167 18.301 -9.574 585 1HB GLU 75 HB2 GLU 75 4.962 18.742 -10.643 586 2HB GLU 75 HB1 GLU 75 3.666 19.929 -10.663 587 1HG GLU 75 HG2 GLU 75 4.893 18.727 -8.191 588 2HG GLU 75 HG1 GLU 75 5.265 20.318 -8.853 589 H GLU 76 HN GLU 76 2.186 15.771 -10.862 590 HA GLU 76 HA GLU 76 1.504 16.636 -13.557 591 1HB GLU 76 HB2 GLU 76 3.742 15.533 -13.640 592 2HB GLU 76 HB1 GLU 76 3.021 14.087 -12.952 593 1HG GLU 76 HG2 GLU 76 3.273 13.840 -15.334 594 2HG GLU 76 HG1 GLU 76 1.563 13.893 -14.914 595 H GLY 77 HN GLY 77 0.587 15.365 -10.678 596 1HA GLY 77 HA2 GLY 77 -1.976 14.639 -11.432 597 2HA GLY 77 HA1 GLY 77 -1.033 13.154 -11.425 598 H ARG 78 HN ARG 78 -1.700 12.106 -9.640 599 HA ARG 78 HA ARG 78 -1.515 13.568 -7.087 600 1HB ARG 78 HB2 ARG 78 -3.342 11.225 -7.536 601 2HB ARG 78 HB1 ARG 78 -3.381 12.389 -6.224 602 1HG ARG 78 HG2 ARG 78 -4.141 12.852 -9.096 603 2HG ARG 78 HG1 ARG 78 -5.214 12.812 -7.696 604 1HD ARG 78 HD2 ARG 78 -4.618 14.890 -7.007 605 2HD ARG 78 HD1 ARG 78 -2.972 14.742 -7.619 606 HE ARG 78 HE ARG 78 -3.657 15.673 -9.568 607 1HH1 ARG 78 HH11 ARG 78 -6.473 14.536 -7.855 608 2HH1 ARG 78 HH12 ARG 78 -7.593 15.194 -9.000 609 1HH2 ARG 78 HH21 ARG 78 -5.128 16.543 -11.081 610 2HH2 ARG 78 HH22 ARG 78 -6.829 16.332 -10.833 611 H LEU 79 HN LEU 79 -2.228 10.622 -6.061 612 HA LEU 79 HA LEU 79 0.456 9.924 -5.439 613 1HB LEU 79 HB2 LEU 79 -2.047 8.244 -5.222 614 2HB LEU 79 HB1 LEU 79 -0.514 7.913 -4.438 615 HG LEU 79 HG LEU 79 -2.313 10.269 -3.871 616 1HD1 LEU 79 1HD1 LEU 79 -1.633 8.293 -1.792 617 2HD1 LEU 79 2HD1 LEU 79 -2.722 7.739 -3.063 618 3HD1 LEU 79 3HD1 LEU 79 -3.142 9.153 -2.097 619 1HD2 LEU 79 1HD2 LEU 79 -0.705 10.549 -1.928 620 2HD2 LEU 79 2HD2 LEU 79 -0.109 11.019 -3.520 621 3HD2 LEU 79 3HD2 LEU 79 0.387 9.482 -2.811 622 H TYR 80 HN TYR 80 1.733 9.439 -7.156 623 HA TYR 80 HA TYR 80 0.833 8.115 -9.459 624 1HB TYR 80 HB2 TYR 80 3.403 9.120 -8.491 625 2HB TYR 80 HB1 TYR 80 3.500 7.798 -9.654 626 HD1 TYR 80 HD1 TYR 80 1.070 10.614 -9.400 627 HD2 TYR 80 HD2 TYR 80 4.155 8.754 -11.662 628 HE1 TYR 80 HE1 TYR 80 0.666 12.193 -11.240 629 HE2 TYR 80 HE2 TYR 80 3.761 10.330 -13.507 630 HH TYR 80 HH TYR 80 1.017 12.355 -13.633 631 H PHE 81 HN PHE 81 0.336 6.174 -9.791 632 HA PHE 81 HA PHE 81 1.714 3.982 -8.495 633 1HB PHE 81 HB2 PHE 81 -1.215 4.342 -8.972 634 2HB PHE 81 HB1 PHE 81 -0.520 2.737 -8.808 635 HD1 PHE 81 HD1 PHE 81 0.120 5.918 -6.949 636 HD2 PHE 81 HD2 PHE 81 -1.183 1.872 -6.792 637 HE1 PHE 81 HE1 PHE 81 -0.056 6.073 -4.504 638 HE2 PHE 81 HE2 PHE 81 -1.365 2.025 -4.343 639 HZ PHE 81 HZ PHE 81 -0.803 4.127 -3.197 640 H SER 82 HN SER 82 2.545 2.465 -9.808 641 HA SER 82 HA SER 82 1.470 2.128 -12.484 642 1HB SER 82 HB2 SER 82 3.739 2.345 -13.507 643 2HB SER 82 HB1 SER 82 3.069 3.862 -12.909 644 HG SER 82 HG SER 82 5.060 3.868 -12.085 645 H MET 83 HN MET 83 1.826 0.579 -9.975 646 HA MET 83 HA MET 83 3.606 -1.322 -9.675 647 1HB MET 83 HB2 MET 83 0.667 -1.958 -9.931 648 2HB MET 83 HB1 MET 83 1.859 -2.944 -9.103 649 1HG MET 83 HG2 MET 83 0.825 -1.846 -7.374 650 2HG MET 83 HG1 MET 83 2.247 -0.849 -7.654 651 1HE MET 83 HE1 MET 83 -2.030 -0.399 -8.175 652 2HE MET 83 HE2 MET 83 -1.067 -1.538 -9.115 653 3HE MET 83 HE3 MET 83 -1.556 0.001 -9.825 654 H ASP 84 HN ASP 84 3.606 -3.670 -10.277 655 HA ASP 84 HA ASP 84 4.618 -4.265 -12.636 656 1HB ASP 84 HB2 ASP 84 4.356 -5.928 -10.888 657 2HB ASP 84 HB1 ASP 84 2.625 -6.008 -11.189 658 H ASP 85 HN ASP 85 1.097 -4.290 -12.120 659 HA ASP 85 HA ASP 85 0.752 -3.773 -14.980 660 1HB ASP 85 HB2 ASP 85 0.504 -6.264 -14.448 661 2HB ASP 85 HB1 ASP 85 -0.950 -5.822 -13.561 662 H GLY 86 HN GLY 86 0.538 -2.196 -12.499 663 1HA GLY 86 HA2 GLY 86 -2.308 -1.443 -12.739 664 2HA GLY 86 HA1 GLY 86 -1.453 -1.406 -11.205 665 H GLN 87 HN GLN 87 -2.814 0.705 -12.818 666 HA GLN 87 HA GLN 87 -0.646 2.669 -12.698 667 1HB GLN 87 HB2 GLN 87 -1.520 3.714 -14.800 668 2HB GLN 87 HB1 GLN 87 -0.771 2.141 -15.043 669 1HG GLN 87 HG2 GLN 87 -2.966 1.094 -15.125 670 2HG GLN 87 HG1 GLN 87 -3.733 2.652 -14.847 671 H THR 88 HN THR 88 -1.830 3.051 -10.639 672 HA THR 88 HA THR 88 -4.368 4.423 -11.088 673 HB THR 88 HB THR 88 -4.765 4.095 -8.662 674 HG1 THR 88 HG1 THR 88 -2.486 2.424 -8.769 675 1HG2 THR 88 1HG2 THR 88 -5.862 2.323 -9.411 676 2HG2 THR 88 2HG2 THR 88 -4.416 1.374 -9.069 677 3HG2 THR 88 3HG2 THR 88 -4.670 2.045 -10.683 678 H ARG 89 HN ARG 89 -1.506 5.497 -11.196 679 HA ARG 89 HA ARG 89 -0.800 7.296 -9.337 680 1HB ARG 89 HB2 ARG 89 0.038 8.766 -11.115 681 2HB ARG 89 HB1 ARG 89 0.380 7.076 -11.455 682 1HG ARG 89 HG2 ARG 89 -1.322 6.974 -13.099 683 2HG ARG 89 HG1 ARG 89 -1.972 8.542 -12.620 684 1HD ARG 89 HD2 ARG 89 0.071 9.639 -13.365 685 2HD ARG 89 HD1 ARG 89 0.765 8.076 -13.802 686 HE ARG 89 HE ARG 89 -0.981 9.643 -15.379 687 1HH1 ARG 89 HH11 ARG 89 -0.267 6.326 -14.556 688 2HH1 ARG 89 HH12 ARG 89 -0.927 5.690 -16.024 689 1HH2 ARG 89 HH21 ARG 89 -1.844 8.807 -17.312 690 2HH2 ARG 89 HH22 ARG 89 -1.820 7.098 -17.589 691 H PHE 90 HN PHE 90 -3.240 7.515 -8.545 692 HA PHE 90 HA PHE 90 -3.961 10.284 -9.117 693 1HB PHE 90 HB2 PHE 90 -6.399 9.661 -9.138 694 2HB PHE 90 HB1 PHE 90 -5.495 9.136 -10.552 695 HD1 PHE 90 HD1 PHE 90 -6.245 7.746 -7.151 696 HD2 PHE 90 HD2 PHE 90 -6.112 7.103 -11.357 697 HE1 PHE 90 HE1 PHE 90 -7.049 5.446 -6.823 698 HE2 PHE 90 HE2 PHE 90 -6.920 4.803 -11.034 699 HZ PHE 90 HZ PHE 90 -7.391 3.973 -8.765 700 H THR 91 HN THR 91 -6.031 10.685 -7.480 701 HA THR 91 HA THR 91 -4.848 10.317 -4.876 702 HB THR 91 HB THR 91 -7.455 11.609 -5.712 703 HG1 THR 91 HG1 THR 91 -6.302 13.315 -6.053 704 1HG2 THR 91 1HG2 THR 91 -6.549 12.724 -3.315 705 2HG2 THR 91 2HG2 THR 91 -6.493 10.975 -3.094 706 3HG2 THR 91 3HG2 THR 91 -8.000 11.756 -3.577 707 H ASP 92 HN ASP 92 -4.937 8.027 -4.749 708 HA ASP 92 HA ASP 92 -7.112 6.382 -5.074 709 1HB ASP 92 HB2 ASP 92 -4.923 6.130 -3.004 710 2HB ASP 92 HB1 ASP 92 -5.990 4.829 -3.524 711 H LEU 93 HN LEU 93 -6.339 8.430 -2.329 712 HA LEU 93 HA LEU 93 -7.804 7.475 -0.289 713 1HB LEU 93 HB2 LEU 93 -6.542 9.619 -0.323 714 2HB LEU 93 HB1 LEU 93 -7.888 10.364 -1.158 715 HG LEU 93 HG LEU 93 -8.085 9.148 1.599 716 1HD1 LEU 93 1HD1 LEU 93 -6.624 11.332 1.063 717 2HD1 LEU 93 2HD1 LEU 93 -7.548 11.124 2.550 718 3HD1 LEU 93 3HD1 LEU 93 -8.217 12.071 1.221 719 1HD2 LEU 93 1HD2 LEU 93 -10.247 9.192 0.753 720 2HD2 LEU 93 2HD2 LEU 93 -9.966 10.674 -0.161 721 3HD2 LEU 93 3HD2 LEU 93 -10.123 10.736 1.594 722 H LEU 94 HN LEU 94 -9.400 10.015 -2.195 723 HA LEU 94 HA LEU 94 -11.982 9.463 -1.463 724 1HB LEU 94 HB2 LEU 94 -11.201 11.437 -2.749 725 2HB LEU 94 HB1 LEU 94 -11.074 10.427 -4.174 726 HG LEU 94 HG LEU 94 -13.106 11.825 -4.150 727 1HD1 LEU 94 1HD1 LEU 94 -14.322 10.272 -5.231 728 2HD1 LEU 94 2HD1 LEU 94 -14.229 9.117 -3.903 729 3HD1 LEU 94 3HD1 LEU 94 -12.872 9.293 -5.015 730 1HD2 LEU 94 1HD2 LEU 94 -14.560 11.905 -2.449 731 2HD2 LEU 94 2HD2 LEU 94 -13.245 11.211 -1.500 732 3HD2 LEU 94 3HD2 LEU 94 -14.491 10.163 -2.182 733 H GLN 95 HN GLN 95 -10.139 8.012 -4.108 734 HA GLN 95 HA GLN 95 -12.175 6.602 -5.339 735 1HB GLN 95 HB2 GLN 95 -9.257 5.877 -5.070 736 2HB GLN 95 HB1 GLN 95 -10.363 5.297 -6.286 737 1HG GLN 95 HG2 GLN 95 -9.534 8.155 -5.943 738 2HG GLN 95 HG1 GLN 95 -8.872 7.040 -7.131 739 H LEU 96 HN LEU 96 -9.833 5.481 -2.899 740 HA LEU 96 HA LEU 96 -10.617 2.877 -2.604 741 1HB LEU 96 HB2 LEU 96 -8.712 4.009 -1.454 742 2HB LEU 96 HB1 LEU 96 -9.858 4.728 -0.342 743 HG LEU 96 HG LEU 96 -9.452 1.751 -0.644 744 1HD1 LEU 96 1HD1 LEU 96 -8.544 3.136 1.791 745 2HD1 LEU 96 2HD1 LEU 96 -7.579 3.419 0.342 746 3HD1 LEU 96 3HD1 LEU 96 -7.835 1.774 0.923 747 1HD2 LEU 96 1HD2 LEU 96 -10.465 2.180 1.834 748 2HD2 LEU 96 2HD2 LEU 96 -11.435 1.769 0.420 749 3HD2 LEU 96 3HD2 LEU 96 -11.271 3.452 0.917 750 H VAL 97 HN VAL 97 -12.172 5.750 -1.312 751 HA VAL 97 HA VAL 97 -13.951 4.501 0.459 752 HB VAL 97 HB VAL 97 -14.416 7.044 -1.104 753 1HG1 VAL 97 1HG1 VAL 97 -16.280 7.369 0.082 754 2HG1 VAL 97 2HG1 VAL 97 -15.506 6.875 1.587 755 3HG1 VAL 97 3HG1 VAL 97 -16.181 5.660 0.502 756 1HG2 VAL 97 1HG2 VAL 97 -12.299 6.641 0.479 757 2HG2 VAL 97 2HG2 VAL 97 -13.482 7.112 1.701 758 3HG2 VAL 97 3HG2 VAL 97 -13.123 8.196 0.357 759 H GLU 98 HN GLU 98 -14.905 5.947 -2.660 760 HA GLU 98 HA GLU 98 -17.317 4.462 -2.803 761 1HB GLU 98 HB2 GLU 98 -17.067 6.625 -3.896 762 2HB GLU 98 HB1 GLU 98 -15.823 5.971 -4.953 763 1HG GLU 98 HG2 GLU 98 -17.458 4.462 -5.952 764 2HG GLU 98 HG1 GLU 98 -18.707 5.109 -4.889 765 H PHE 99 HN PHE 99 -14.251 4.116 -4.588 766 HA PHE 99 HA PHE 99 -15.100 1.926 -6.129 767 1HB PHE 99 HB2 PHE 99 -12.359 2.920 -5.380 768 2HB PHE 99 HB1 PHE 99 -12.597 1.517 -6.409 769 HD1 PHE 99 HD1 PHE 99 -11.688 2.294 -8.410 770 HD2 PHE 99 HD2 PHE 99 -14.661 4.603 -6.423 771 HE1 PHE 99 HE1 PHE 99 -11.884 3.742 -10.388 772 HE2 PHE 99 HE2 PHE 99 -14.860 6.052 -8.395 773 HZ PHE 99 HZ PHE 99 -13.472 5.623 -10.382 774 H HIS 100 HN HIS 100 -14.465 2.022 -2.800 775 HA HIS 100 HA HIS 100 -13.151 -0.268 -2.131 776 1HB HIS 100 HB2 HIS 100 -14.368 -0.320 -0.089 777 2HB HIS 100 HB1 HIS 100 -14.296 1.372 -0.558 778 HD1 HIS 100 HD1 HIS 100 -16.625 1.884 -2.237 779 HD2 HIS 100 HD2 HIS 100 -16.814 -0.836 0.895 780 HE1 HIS 100 HE1 HIS 100 -19.066 1.681 -1.672 781 HE2 HIS 100 HE2 HIS 100 -19.164 -0.039 0.166 782 H GLN 101 HN GLN 101 -16.389 0.025 -3.398 783 HA GLN 101 HA GLN 101 -17.164 -2.682 -3.085 784 1HB GLN 101 HB2 GLN 101 -18.955 -2.051 -4.743 785 2HB GLN 101 HB1 GLN 101 -18.874 -1.042 -3.305 786 1HG GLN 101 HG2 GLN 101 -17.438 0.529 -4.736 787 2HG GLN 101 HG1 GLN 101 -18.045 -0.388 -6.107 788 H LEU 102 HN LEU 102 -16.112 -0.864 -5.980 789 HA LEU 102 HA LEU 102 -15.059 -3.382 -7.060 790 1HB LEU 102 HB2 LEU 102 -16.817 -1.410 -8.516 791 2HB LEU 102 HB1 LEU 102 -15.822 -2.587 -9.347 792 HG LEU 102 HG LEU 102 -18.094 -3.387 -9.231 793 1HD1 LEU 102 1HD1 LEU 102 -17.740 -5.535 -8.101 794 2HD1 LEU 102 2HD1 LEU 102 -16.292 -4.884 -7.337 795 3HD1 LEU 102 3HD1 LEU 102 -16.358 -5.064 -9.089 796 1HD2 LEU 102 1HD2 LEU 102 -18.194 -3.783 -6.338 797 2HD2 LEU 102 2HD2 LEU 102 -19.441 -3.227 -7.454 798 3HD2 LEU 102 3HD2 LEU 102 -18.245 -2.092 -6.831 799 H ASN 103 HN ASN 103 -13.148 -2.275 -6.089 800 HA ASN 103 HA ASN 103 -12.058 -0.090 -7.711 801 1HB ASN 103 HB2 ASN 103 -10.341 0.032 -5.928 802 2HB ASN 103 HB1 ASN 103 -11.972 0.194 -5.288 803 1HD2 ASN 103 1HD2 ASN 103 -12.625 -1.152 -3.754 804 2HD2 ASN 103 2HD2 ASN 103 -11.754 -2.540 -3.208 805 H ARG 104 HN ARG 104 -9.490 -0.319 -7.768 806 HA ARG 104 HA ARG 104 -8.963 -2.830 -9.184 807 1HB ARG 104 HB2 ARG 104 -7.570 -0.151 -9.215 808 2HB ARG 104 HB1 ARG 104 -6.903 -1.581 -9.988 809 1HG ARG 104 HG2 ARG 104 -8.050 -0.150 -11.587 810 2HG ARG 104 HG1 ARG 104 -8.839 -1.720 -11.450 811 1HD ARG 104 HD2 ARG 104 -10.557 -0.773 -10.037 812 2HD ARG 104 HD1 ARG 104 -9.736 0.788 -10.034 813 HE ARG 104 HE ARG 104 -10.255 0.086 -12.685 814 1HH1 ARG 104 HH11 ARG 104 -12.025 0.916 -9.795 815 2HH1 ARG 104 HH12 ARG 104 -13.358 1.604 -10.659 816 1HH2 ARG 104 HH21 ARG 104 -12.008 0.990 -13.824 817 2HH2 ARG 104 HH22 ARG 104 -13.349 1.646 -12.946 818 H GLY 105 HN GLY 105 -8.912 -3.808 -6.980 819 1HA GLY 105 HA2 GLY 105 -7.216 -3.337 -4.925 820 2HA GLY 105 HA1 GLY 105 -7.621 -4.957 -5.457 821 H ILE 106 HN ILE 106 -5.991 -6.231 -6.001 822 HA ILE 106 HA ILE 106 -3.365 -4.994 -6.542 823 HB ILE 106 HB ILE 106 -3.551 -6.352 -4.458 824 1HG1 ILE 106 2HG1 ILE 106 -1.725 -7.628 -6.496 825 2HG1 ILE 106 1HG1 ILE 106 -1.374 -6.122 -5.653 826 1HG2 ILE 106 1HG2 ILE 106 -4.188 -8.517 -4.394 827 2HG2 ILE 106 2HG2 ILE 106 -3.593 -8.857 -6.019 828 3HG2 ILE 106 3HG2 ILE 106 -5.120 -8.003 -5.799 829 1HD1 ILE 106 1HD1 ILE 106 -1.963 -8.629 -4.141 830 2HD1 ILE 106 2HD1 ILE 106 -1.073 -7.197 -3.627 831 3HD1 ILE 106 3HD1 ILE 106 -0.355 -8.311 -4.787 832 H LEU 107 HN LEU 107 -1.867 -6.473 -7.828 833 HA LEU 107 HA LEU 107 -2.431 -6.723 -10.402 834 1HB LEU 107 HB2 LEU 107 -0.789 -8.475 -8.637 835 2HB LEU 107 HB1 LEU 107 -0.979 -8.918 -10.322 836 HG LEU 107 HG LEU 107 0.064 -6.225 -9.430 837 1HD1 LEU 107 1HD1 LEU 107 1.382 -8.560 -9.007 838 2HD1 LEU 107 2HD1 LEU 107 2.158 -7.004 -9.302 839 3HD1 LEU 107 3HD1 LEU 107 1.926 -8.141 -10.631 840 1HD2 LEU 107 1HD2 LEU 107 -0.913 -6.286 -11.662 841 2HD2 LEU 107 2HD2 LEU 107 0.118 -7.654 -12.082 842 3HD2 LEU 107 3HD2 LEU 107 0.834 -6.084 -11.737 843 HA PRO 108 HA PRO 108 -5.395 -9.437 -12.121 844 1HB PRO 108 HB2 PRO 108 -3.075 -11.278 -12.595 845 2HB PRO 108 HB1 PRO 108 -4.436 -10.900 -13.658 846 1HG PRO 108 HG2 PRO 108 -2.050 -9.678 -13.914 847 2HG PRO 108 HG1 PRO 108 -3.578 -8.849 -14.257 848 1HD PRO 108 HD2 PRO 108 -1.683 -8.394 -12.084 849 2HD PRO 108 HD1 PRO 108 -3.045 -7.388 -12.606 850 H CYS 109 HN CYS 109 -6.282 -9.832 -9.962 851 HA CYS 109 HA CYS 109 -6.389 -12.672 -9.448 852 1HB CYS 109 HB2 CYS 109 -5.744 -10.817 -7.141 853 2HB CYS 109 HB1 CYS 109 -5.977 -12.548 -7.067 854 HG CYS 109 HG CYS 109 -3.197 -11.327 -6.981 855 H LEU 110 HN LEU 110 -7.312 -10.008 -7.342 856 HA LEU 110 HA LEU 110 -10.126 -10.377 -8.114 857 1HB LEU 110 HB2 LEU 110 -9.017 -9.947 -5.334 858 2HB LEU 110 HB1 LEU 110 -10.714 -9.825 -5.738 859 HG LEU 110 HG LEU 110 -10.169 -11.973 -4.684 860 1HD1 LEU 110 1HD1 LEU 110 -10.854 -12.432 -7.575 861 2HD1 LEU 110 2HD1 LEU 110 -11.978 -11.698 -6.431 862 3HD1 LEU 110 3HD1 LEU 110 -11.395 -13.341 -6.165 863 1HD2 LEU 110 1HD2 LEU 110 -8.543 -13.376 -5.373 864 2HD2 LEU 110 2HD2 LEU 110 -7.843 -11.899 -6.030 865 3HD2 LEU 110 3HD2 LEU 110 -8.767 -12.979 -7.074 866 H LEU 111 HN LEU 111 -11.197 -8.221 -6.677 867 HA LEU 111 HA LEU 111 -9.515 -5.937 -7.289 868 1HB LEU 111 HB2 LEU 111 -11.012 -4.896 -8.828 869 2HB LEU 111 HB1 LEU 111 -10.611 -6.494 -9.411 870 HG LEU 111 HG LEU 111 -12.899 -6.185 -9.867 871 1HD1 LEU 111 1HD1 LEU 111 -12.999 -7.728 -7.301 872 2HD1 LEU 111 2HD1 LEU 111 -12.178 -8.349 -8.731 873 3HD1 LEU 111 3HD1 LEU 111 -13.904 -7.992 -8.790 874 1HD2 LEU 111 1HD2 LEU 111 -13.555 -5.553 -7.022 875 2HD2 LEU 111 2HD2 LEU 111 -14.488 -5.236 -8.481 876 3HD2 LEU 111 3HD2 LEU 111 -13.049 -4.281 -8.130 877 H ARG 112 HN ARG 112 -12.008 -7.300 -5.421 878 HA ARG 112 HA ARG 112 -12.889 -4.687 -4.435 879 1HB ARG 112 HB2 ARG 112 -13.903 -7.415 -3.626 880 2HB ARG 112 HB1 ARG 112 -14.652 -5.862 -3.291 881 1HG ARG 112 HG2 ARG 112 -15.042 -5.551 -5.694 882 2HG ARG 112 HG1 ARG 112 -14.338 -7.138 -5.997 883 1HD ARG 112 HD2 ARG 112 -16.774 -7.250 -5.964 884 2HD ARG 112 HD1 ARG 112 -16.075 -8.180 -4.639 885 HE ARG 112 HE ARG 112 -16.645 -5.604 -3.708 886 1HH1 ARG 112 HH11 ARG 112 -18.327 -8.456 -4.810 887 2HH1 ARG 112 HH12 ARG 112 -19.735 -8.148 -3.851 888 1HH2 ARG 112 HH21 ARG 112 -18.496 -5.198 -2.445 889 2HH2 ARG 112 HH22 ARG 112 -19.832 -6.299 -2.508 890 H HIS 113 HN HIS 113 -12.747 -4.111 -2.219 891 HA HIS 113 HA HIS 113 -11.247 -5.844 -0.436 892 1HB HIS 113 HB2 HIS 113 -9.578 -4.091 0.117 893 2HB HIS 113 HB1 HIS 113 -9.426 -4.697 -1.531 894 HD1 HIS 113 HD1 HIS 113 -11.569 -1.877 -0.097 895 HD2 HIS 113 HD2 HIS 113 -8.694 -2.573 -3.014 896 HE1 HIS 113 HE1 HIS 113 -11.293 0.310 -1.302 897 HE2 HIS 113 HE2 HIS 113 -9.481 -0.110 -3.001 898 H CYS 114 HN CYS 114 -10.988 -4.799 1.769 899 HA CYS 114 HA CYS 114 -13.097 -2.860 2.353 900 1HB CYS 114 HB2 CYS 114 -14.151 -5.030 2.681 901 2HB CYS 114 HB1 CYS 114 -12.829 -5.545 3.725 902 HG CYS 114 HG CYS 114 -15.406 -3.456 4.404 903 H CYS 115 HN CYS 115 -11.224 -4.919 4.554 904 HA CYS 115 HA CYS 115 -9.579 -2.620 5.315 905 1HB CYS 115 HB2 CYS 115 -11.154 -4.295 7.284 906 2HB CYS 115 HB1 CYS 115 -9.999 -3.036 7.707 907 HG CYS 115 HG CYS 115 -13.049 -2.582 7.660 908 H THR 116 HN THR 116 -8.204 -3.680 7.421 909 HA THR 116 HA THR 116 -6.914 -6.044 6.222 910 HB THR 116 HB THR 116 -5.707 -3.880 7.959 911 HG1 THR 116 HG1 THR 116 -5.628 -2.960 6.069 912 1HG2 THR 116 1HG2 THR 116 -4.508 -6.362 6.784 913 2HG2 THR 116 2HG2 THR 116 -4.445 -5.787 8.451 914 3HG2 THR 116 3HG2 THR 116 -3.538 -4.947 7.193 915 H ARG 117 HN ARG 117 -5.831 -7.519 7.787 916 HA ARG 117 HA ARG 117 -7.336 -7.646 10.321 917 1HB ARG 117 HB2 ARG 117 -8.022 -9.411 8.737 918 2HB ARG 117 HB1 ARG 117 -6.357 -9.955 8.631 919 1HG ARG 117 HG2 ARG 117 -7.495 -11.424 10.098 920 2HG ARG 117 HG1 ARG 117 -6.425 -10.422 11.077 921 1HD ARG 117 HD2 ARG 117 -8.438 -10.494 12.274 922 2HD ARG 117 HD1 ARG 117 -8.456 -8.929 11.468 923 HE ARG 117 HE ARG 117 -10.212 -11.174 10.978 924 1HH1 ARG 117 HH11 ARG 117 -9.064 -8.082 9.829 925 2HH1 ARG 117 HH12 ARG 117 -10.362 -7.882 8.704 926 1HH2 ARG 117 HH21 ARG 117 -11.918 -10.902 9.507 927 2HH2 ARG 117 HH22 ARG 117 -11.981 -9.478 8.522 928 H VAL 118 HN VAL 118 -5.476 -6.330 11.086 929 HA VAL 118 HA VAL 118 -3.365 -8.120 12.031 930 HB VAL 118 HB VAL 118 -1.731 -6.158 11.744 931 1HG1 VAL 118 1HG1 VAL 118 -2.494 -7.237 9.082 932 2HG1 VAL 118 2HG1 VAL 118 -2.079 -8.385 10.355 933 3HG1 VAL 118 3HG1 VAL 118 -0.913 -7.158 9.859 934 1HG2 VAL 118 1HG2 VAL 118 -2.641 -4.279 10.943 935 2HG2 VAL 118 2HG2 VAL 118 -4.088 -5.114 10.383 936 3HG2 VAL 118 3HG2 VAL 118 -2.641 -5.087 9.377 937 H ALA 119 HN ALA 119 -4.069 -4.625 12.319 938 HA ALA 119 HA ALA 119 -3.437 -4.615 15.089 939 1HB ALA 119 HB1 ALA 119 -4.624 -2.268 14.841 940 2HB ALA 119 HB2 ALA 119 -4.395 -2.615 13.127 941 3HB ALA 119 HB3 ALA 119 -3.004 -2.563 14.210 942 H LEU 120 HN LEU 120 -6.409 -3.217 13.919 943 HA LEU 120 HA LEU 120 -7.850 -4.598 16.067 944 1HB LEU 120 HB2 LEU 120 -8.622 -2.147 14.482 945 2HB LEU 120 HB1 LEU 120 -9.556 -2.846 15.790 946 HG LEU 120 HG LEU 120 -6.814 -1.610 16.043 947 1HD1 LEU 120 1HD1 LEU 120 -9.126 -0.275 15.747 948 2HD1 LEU 120 2HD1 LEU 120 -7.786 0.302 16.737 949 3HD1 LEU 120 3HD1 LEU 120 -9.144 -0.533 17.492 950 1HD2 LEU 120 1HD2 LEU 120 -6.728 -3.082 17.767 951 2HD2 LEU 120 2HD2 LEU 120 -8.482 -3.230 17.876 952 3HD2 LEU 120 3HD2 LEU 120 -7.672 -1.820 18.557 953 HA PRO1135 HA PRO1135 15.745 -9.174 -13.305 954 1HB PRO1135 HB2 PRO1135 13.826 -6.895 -13.287 955 2HB PRO1135 HB1 PRO1135 14.920 -7.434 -14.565 956 1HG PRO1135 HG2 PRO1135 12.308 -7.923 -14.721 957 2HG PRO1135 HG1 PRO1135 13.495 -9.127 -15.256 958 1HD PRO1135 HD2 PRO1135 11.849 -9.060 -12.766 959 2HD PRO1135 HD1 PRO1135 12.352 -10.450 -13.752 960 H GLN1136 HN GLN1136 13.570 -7.143 -11.334 961 HA GLN1136 HA GLN1136 15.243 -7.055 -9.070 962 1HB GLN1136 HB2 GLN1136 16.712 -5.799 -10.621 963 2HB GLN1136 HB1 GLN1136 15.425 -4.627 -10.865 964 1HG GLN1136 HG2 GLN1136 17.090 -3.805 -9.299 965 2HG GLN1136 HG1 GLN1136 15.524 -4.003 -8.516 966 HA PRO1137 HA PRO1137 10.977 -5.151 -8.776 967 1HB PRO1137 HB2 PRO1137 9.578 -7.198 -7.785 968 2HB PRO1137 HB1 PRO1137 9.904 -7.070 -9.518 969 1HG PRO1137 HG2 PRO1137 11.251 -8.767 -7.456 970 2HG PRO1137 HG1 PRO1137 10.782 -9.181 -9.114 971 1HD PRO1137 HD2 PRO1137 13.331 -8.450 -8.336 972 2HD PRO1137 HD1 PRO1137 12.705 -8.319 -9.990 973 H GLU1138 HN GLU1138 11.214 -3.812 -7.067 974 HA GLU1138 HA GLU1138 11.731 -5.012 -4.434 975 1HB GLU1138 HB2 GLU1138 12.264 -2.531 -3.847 976 2HB GLU1138 HB1 GLU1138 13.452 -3.508 -4.689 977 1HG GLU1138 HG2 GLU1138 12.673 -2.515 -6.825 978 2HG GLU1138 HG1 GLU1138 11.599 -1.468 -5.900 979 2HN PTR1139 HN PTR1139 9.830 -2.384 -5.966 980 2HN PTR1139 HN PTR1139 9.830 -2.384 -5.966 981 HA PTR1139 HA PTR1139 7.960 -2.698 -3.748 982 HA PTR1139 HA PTR1139 7.960 -2.698 -3.748 983 1HB PTR1139 HB1 PTR1139 7.245 -0.317 -4.918 984 1HB PTR1139 HB1 PTR1139 7.245 -0.317 -4.918 985 2HB PTR1139 HB2 PTR1139 8.997 -0.328 -5.052 986 2HB PTR1139 HB2 PTR1139 8.997 -0.328 -5.052 987 HD1 PTR1139 HD1 PTR1139 6.159 -0.125 -2.758 988 HD1 PTR1139 HD1 PTR1139 6.159 -0.125 -2.758 989 HD2 PTR1139 HD2 PTR1139 10.402 -0.319 -3.034 990 HD2 PTR1139 HD2 PTR1139 10.402 -0.319 -3.034 991 HE1 PTR1139 HE1 PTR1139 6.347 0.610 -0.430 992 HE1 PTR1139 HE1 PTR1139 6.347 0.610 -0.430 993 HE2 PTR1139 HE2 PTR1139 10.584 0.439 -0.669 994 HE2 PTR1139 HE2 PTR1139 10.584 0.439 -0.669 995 H VAL1140 HN VAL1140 7.531 -1.216 -6.929 996 HA VAL1140 HA VAL1140 5.924 -3.285 -7.959 997 HB VAL1140 HB VAL1140 3.710 -1.866 -7.877 998 1HG1 VAL1140 1HG1 VAL1140 3.906 -3.172 -5.301 999 2HG1 VAL1140 2HG1 VAL1140 4.544 -4.154 -6.617 1000 3HG1 VAL1140 3HG1 VAL1140 2.886 -3.552 -6.690 1001 1HG2 VAL1140 1HG2 VAL1140 3.570 -0.190 -6.463 1002 2HG2 VAL1140 2HG2 VAL1140 5.304 -0.359 -6.173 1003 3HG2 VAL1140 3HG2 VAL1140 4.156 -1.197 -5.136 1004 H ASN1141 HN ASN1141 5.456 0.289 -7.923 1005 HA ASN1141 HA ASN1141 5.020 0.579 -10.617 1006 1HB ASN1141 HB2 ASN1141 6.901 2.340 -9.001 1007 2HB ASN1141 HB1 ASN1141 6.136 2.767 -10.514 1008 1HD2 ASN1141 1HD2 ASN1141 5.377 1.840 -7.184 1009 2HD2 ASN1141 2HD2 ASN1141 3.966 2.813 -7.043 1010 H GLN1142 HN GLN1142 7.803 -0.183 -8.703 1011 HA GLN1142 HA GLN1142 9.109 -1.953 -9.391 1012 1HB GLN1142 HB2 GLN1142 9.547 -2.501 -11.442 1013 2HB GLN1142 HB1 GLN1142 8.406 -1.273 -11.917 1014 1HG GLN1142 HG2 GLN1142 11.404 -0.980 -11.790 1015 2HG GLN1142 HG1 GLN1142 10.437 -1.140 -13.249 1016 HA PRO1143 HA PRO1143 12.621 0.973 -9.030 1017 1HB PRO1143 HB2 PRO1143 12.376 3.636 -9.458 1018 2HB PRO1143 HB1 PRO1143 12.521 2.486 -10.793 1019 1HG PRO1143 HG2 PRO1143 10.201 4.052 -9.963 1020 2HG PRO1143 HG1 PRO1143 10.447 3.134 -11.455 1021 1HD PRO1143 HD2 PRO1143 9.058 2.354 -8.998 1022 2HD PRO1143 HD1 PRO1143 8.958 1.621 -10.588 1023 H ASP1144 HN ASP1144 10.579 0.489 -7.137 1024 HA ASP1144 HA ASP1144 9.791 1.058 -5.105 1025 1HB ASP1144 HB2 ASP1144 11.890 0.118 -4.482 1026 2HB ASP1144 HB1 ASP1144 12.774 1.549 -4.986 Start of MODEL 4 1 1H GLY 1 HT1 GLY 1 22.989 5.932 -3.725 2 2H GLY 1 HT2 GLY 1 24.614 5.999 -3.262 3 3H GLY 1 HT3 GLY 1 23.628 7.361 -3.083 4 1HA GLY 1 HA1 GLY 1 23.362 4.795 -1.611 5 2HA GLY 1 HA2 GLY 1 23.975 6.303 -0.949 6 H SER 2 HN SER 2 21.455 4.411 -0.700 7 HA SER 2 HA SER 2 19.683 6.596 -0.017 8 1HB SER 2 HB2 SER 2 18.979 6.267 -2.278 9 2HB SER 2 HB1 SER 2 18.919 4.520 -2.076 10 HG SER 2 HG SER 2 17.108 6.466 -1.303 11 HA PRO 3 HA PRO 3 17.771 2.523 1.830 12 1HB PRO 3 HB2 PRO 3 19.329 0.272 1.466 13 2HB PRO 3 HB1 PRO 3 17.907 0.676 0.500 14 1HG PRO 3 HG2 PRO 3 20.801 1.125 -0.107 15 2HG PRO 3 HG1 PRO 3 19.503 0.574 -1.182 16 1HD PRO 3 HD2 PRO 3 20.372 3.097 -1.257 17 2HD PRO 3 HD1 PRO 3 18.649 2.716 -1.455 18 H ALA 4 HN ALA 4 18.310 3.344 3.796 19 HA ALA 4 HA ALA 4 20.746 2.288 5.030 20 1HB ALA 4 HB1 ALA 4 20.813 4.810 4.154 21 2HB ALA 4 HB2 ALA 4 21.641 4.287 5.620 22 3HB ALA 4 HB3 ALA 4 20.072 5.084 5.732 23 H SER 5 HN SER 5 20.040 1.115 6.684 24 HA SER 5 HA SER 5 17.652 1.994 8.146 25 1HB SER 5 HB2 SER 5 19.047 -0.693 8.123 26 2HB SER 5 HB1 SER 5 17.580 -0.314 9.025 27 HG SER 5 HG SER 5 17.941 -0.425 6.222 28 H GLY 6 HN GLY 6 17.649 1.659 10.515 29 1HA GLY 6 HA2 GLY 6 20.162 1.494 11.898 30 2HA GLY 6 HA1 GLY 6 19.530 3.133 11.840 31 H THR 7 HN THR 7 17.483 3.568 12.838 32 HA THR 7 HA THR 7 16.760 1.582 14.892 33 HB THR 7 HB THR 7 16.735 4.598 15.124 34 HG1 THR 7 HG1 THR 7 18.425 2.595 16.179 35 1HG2 THR 7 1HG2 THR 7 15.002 3.923 16.522 36 2HG2 THR 7 2HG2 THR 7 16.402 4.033 17.588 37 3HG2 THR 7 3HG2 THR 7 15.849 2.458 17.019 38 H SER 8 HN SER 8 14.518 1.769 15.692 39 HA SER 8 HA SER 8 12.704 2.029 13.462 40 1HB SER 8 HB2 SER 8 11.017 1.131 15.027 41 2HB SER 8 HB1 SER 8 12.470 0.134 14.992 42 HG SER 8 HG SER 8 11.952 2.141 16.929 43 H LEU 9 HN LEU 9 10.647 3.198 13.659 44 HA LEU 9 HA LEU 9 10.889 5.635 15.298 45 1HB LEU 9 HB2 LEU 9 11.408 6.033 12.894 46 2HB LEU 9 HB1 LEU 9 9.798 5.473 12.486 47 HG LEU 9 HG LEU 9 10.016 7.940 12.472 48 1HD1 LEU 9 1HD1 LEU 9 7.890 8.223 13.152 49 2HD1 LEU 9 2HD1 LEU 9 8.181 7.489 14.729 50 3HD1 LEU 9 3HD1 LEU 9 7.928 6.467 13.315 51 1HD2 LEU 9 1HD2 LEU 9 10.082 7.970 15.443 52 2HD2 LEU 9 2HD2 LEU 9 10.619 9.187 14.285 53 3HD2 LEU 9 3HD2 LEU 9 11.600 7.750 14.573 54 H SER 10 HN SER 10 9.135 6.171 16.462 55 HA SER 10 HA SER 10 6.697 4.575 16.043 56 1HB SER 10 HB2 SER 10 7.757 4.193 18.216 57 2HB SER 10 HB1 SER 10 7.704 5.922 18.561 58 HG SER 10 HG SER 10 5.636 4.042 18.528 59 H ALA 11 HN ALA 11 4.770 5.554 15.730 60 HA ALA 11 HA ALA 11 4.498 8.417 16.204 61 1HB ALA 11 HB1 ALA 11 5.211 8.631 14.012 62 2HB ALA 11 HB2 ALA 11 3.458 8.576 13.835 63 3HB ALA 11 HB3 ALA 11 4.425 7.139 13.501 64 H ALA 12 HN ALA 12 2.465 9.008 16.759 65 HA ALA 12 HA ALA 12 0.407 6.901 16.692 66 1HB ALA 12 HB1 ALA 12 0.181 9.231 18.529 67 2HB ALA 12 HB2 ALA 12 1.348 7.966 18.910 68 3HB ALA 12 HB3 ALA 12 -0.361 7.566 18.741 69 H ILE 13 HN ILE 13 0.246 7.859 14.391 70 HA ILE 13 HA ILE 13 -1.117 10.385 14.167 71 HB ILE 13 HB ILE 13 0.379 9.652 12.385 72 1HG1 ILE 13 2HG1 ILE 13 -2.516 9.763 11.505 73 2HG1 ILE 13 1HG1 ILE 13 -1.475 11.151 11.806 74 1HG2 ILE 13 1HG2 ILE 13 0.150 7.284 12.483 75 2HG2 ILE 13 2HG2 ILE 13 -0.359 7.799 10.875 76 3HG2 ILE 13 3HG2 ILE 13 -1.566 7.374 12.088 77 1HD1 ILE 13 1HD1 ILE 13 -1.351 11.009 9.536 78 2HD1 ILE 13 2HD1 ILE 13 -1.495 9.251 9.525 79 3HD1 ILE 13 3HD1 ILE 13 0.029 10.008 9.988 80 H HIS 14 HN HIS 14 -2.042 7.106 14.648 81 HA HIS 14 HA HIS 14 -4.661 7.298 13.516 82 1HB HIS 14 HB2 HIS 14 -3.482 5.325 15.480 83 2HB HIS 14 HB1 HIS 14 -5.071 5.165 14.741 84 HD1 HIS 14 HD1 HIS 14 -1.509 5.655 13.460 85 HD2 HIS 14 HD2 HIS 14 -4.983 3.550 12.599 86 HE1 HIS 14 HE1 HIS 14 -0.958 4.247 11.452 87 HE2 HIS 14 HE2 HIS 14 -3.089 3.011 10.922 88 H ARG 15 HN ARG 15 -6.300 8.407 14.331 89 HA ARG 15 HA ARG 15 -6.404 8.814 17.225 90 1HB ARG 15 HB2 ARG 15 -7.685 10.879 16.781 91 2HB ARG 15 HB1 ARG 15 -6.066 10.917 16.087 92 1HG ARG 15 HG2 ARG 15 -6.965 10.388 13.891 93 2HG ARG 15 HG1 ARG 15 -8.586 10.246 14.565 94 1HD ARG 15 HD2 ARG 15 -6.906 12.746 14.304 95 2HD ARG 15 HD1 ARG 15 -8.426 12.370 13.498 96 HE ARG 15 HE ARG 15 -8.878 12.307 16.252 97 1HH1 ARG 15 HH11 ARG 15 -8.069 14.606 13.755 98 2HH1 ARG 15 HH12 ARG 15 -8.828 15.938 14.560 99 1HH2 ARG 15 HH21 ARG 15 -9.878 14.057 17.314 100 2HH2 ARG 15 HH22 ARG 15 -9.854 15.627 16.581 101 H THR 16 HN THR 16 -7.908 7.474 14.620 102 HA THR 16 HA THR 16 -10.197 6.692 16.249 103 HB THR 16 HB THR 16 -11.763 7.086 14.371 104 HG1 THR 16 HG1 THR 16 -11.037 8.364 12.631 105 1HG2 THR 16 1HG2 THR 16 -10.706 9.774 14.499 106 2HG2 THR 16 2HG2 THR 16 -10.779 9.005 16.085 107 3HG2 THR 16 3HG2 THR 16 -12.233 9.124 15.094 108 H GLN 17 HN GLN 17 -10.955 5.794 13.182 109 HA GLN 17 HA GLN 17 -9.662 3.187 13.526 110 1HB GLN 17 HB2 GLN 17 -11.396 2.386 11.909 111 2HB GLN 17 HB1 GLN 17 -12.051 3.015 13.413 112 1HG GLN 17 HG2 GLN 17 -13.403 3.760 11.580 113 2HG GLN 17 HG1 GLN 17 -12.556 5.140 12.272 114 H LEU 18 HN LEU 18 -8.443 5.642 12.397 115 HA LEU 18 HA LEU 18 -8.223 5.564 9.620 116 1HB LEU 18 HB2 LEU 18 -7.457 7.424 11.011 117 2HB LEU 18 HB1 LEU 18 -6.186 6.418 11.674 118 HG LEU 18 HG LEU 18 -5.179 6.255 9.413 119 1HD1 LEU 18 1HD1 LEU 18 -6.366 6.801 7.624 120 2HD1 LEU 18 2HD1 LEU 18 -6.376 8.481 8.161 121 3HD1 LEU 18 3HD1 LEU 18 -7.678 7.395 8.642 122 1HD2 LEU 18 1HD2 LEU 18 -3.929 7.928 10.155 123 2HD2 LEU 18 2HD2 LEU 18 -5.255 8.498 11.170 124 3HD2 LEU 18 3HD2 LEU 18 -5.100 9.079 9.511 125 H TRP 19 HN TRP 19 -6.346 4.928 8.331 126 HA TRP 19 HA TRP 19 -4.814 2.680 9.394 127 1HB TRP 19 HB2 TRP 19 -5.321 1.664 6.959 128 2HB TRP 19 HB1 TRP 19 -6.287 1.284 8.379 129 HD1 TRP 19 HD1 TRP 19 -8.698 1.127 7.601 130 HE1 TRP 19 HE1 TRP 19 -10.277 2.541 6.146 131 HE3 TRP 19 HE3 TRP 19 -5.384 4.696 6.012 132 HZ2 TRP 19 HZ2 TRP 19 -10.143 4.855 4.543 133 HZ3 TRP 19 HZ3 TRP 19 -6.197 6.470 4.521 134 HH2 TRP 19 HH2 TRP 19 -8.527 6.547 3.801 135 H PHE 20 HN PHE 20 -3.645 5.034 9.125 136 HA PHE 20 HA PHE 20 -2.013 4.726 6.699 137 1HB PHE 20 HB2 PHE 20 -3.470 6.638 6.345 138 2HB PHE 20 HB1 PHE 20 -3.005 7.320 7.900 139 HD1 PHE 20 HD1 PHE 20 -1.845 9.265 7.541 140 HD2 PHE 20 HD2 PHE 20 -1.008 5.893 5.086 141 HE1 PHE 20 HE1 PHE 20 -0.028 10.515 6.450 142 HE2 PHE 20 HE2 PHE 20 0.812 7.135 3.992 143 HZ PHE 20 HZ PHE 20 1.304 9.450 4.674 144 H HIS 21 HN HIS 21 0.017 4.271 7.221 145 HA HIS 21 HA HIS 21 1.258 5.669 9.472 146 1HB HIS 21 HB2 HIS 21 0.436 3.464 10.285 147 2HB HIS 21 HB1 HIS 21 1.457 2.674 9.090 148 HD1 HIS 21 HD1 HIS 21 2.238 5.464 11.564 149 HD2 HIS 21 HD2 HIS 21 3.524 1.656 10.525 150 HE1 HIS 21 HE1 HIS 21 4.226 5.002 13.032 151 HE2 HIS 21 HE2 HIS 21 4.949 2.665 12.429 152 H GLY 22 HN GLY 22 3.727 5.255 9.472 153 1HA GLY 22 HA2 GLY 22 4.632 5.434 6.686 154 2HA GLY 22 HA1 GLY 22 5.448 6.124 8.073 155 H ARG 23 HN ARG 23 7.169 5.130 8.741 156 HA ARG 23 HA ARG 23 8.458 3.100 7.561 157 1HB ARG 23 HB2 ARG 23 9.368 4.546 9.363 158 2HB ARG 23 HB1 ARG 23 8.519 3.566 10.542 159 1HG ARG 23 HG2 ARG 23 9.840 1.660 10.040 160 2HG ARG 23 HG1 ARG 23 10.552 2.450 8.632 161 1HD ARG 23 HD2 ARG 23 11.651 4.069 10.075 162 2HD ARG 23 HD1 ARG 23 10.899 3.340 11.495 163 HE ARG 23 HE ARG 23 12.579 1.806 11.491 164 1HH1 ARG 23 HH11 ARG 23 12.301 3.097 8.260 165 2HH1 ARG 23 HH12 ARG 23 13.612 2.154 7.638 166 1HH2 ARG 23 HH21 ARG 23 14.308 0.574 10.675 167 2HH2 ARG 23 HH22 ARG 23 14.754 0.726 9.008 168 H ILE 24 HN ILE 24 7.396 1.319 6.946 169 HA ILE 24 HA ILE 24 6.722 -0.587 9.063 170 HB ILE 24 HB ILE 24 4.969 0.214 6.763 171 1HG1 ILE 24 2HG1 ILE 24 4.531 -0.250 9.710 172 2HG1 ILE 24 1HG1 ILE 24 4.576 1.301 8.879 173 1HG2 ILE 24 1HG2 ILE 24 3.565 -1.789 7.264 174 2HG2 ILE 24 2HG2 ILE 24 4.913 -2.428 8.209 175 3HG2 ILE 24 3HG2 ILE 24 5.100 -2.154 6.476 176 1HD1 ILE 24 1HD1 ILE 24 2.340 -0.244 9.452 177 2HD1 ILE 24 2HD1 ILE 24 2.589 -0.421 7.716 178 3HD1 ILE 24 3HD1 ILE 24 2.416 1.184 8.423 179 H SER 25 HN SER 25 8.557 -1.752 8.757 180 HA SER 25 HA SER 25 10.056 -2.380 6.650 181 1HB SER 25 HB2 SER 25 9.100 -4.351 8.733 182 2HB SER 25 HB1 SER 25 10.484 -4.610 7.673 183 HG SER 25 HG SER 25 11.518 -2.882 8.635 184 H ARG 26 HN ARG 26 9.104 -2.497 4.635 185 HA ARG 26 HA ARG 26 6.846 -3.882 3.893 186 1HB ARG 26 HB2 ARG 26 7.567 -2.515 2.200 187 2HB ARG 26 HB1 ARG 26 9.255 -2.917 2.443 188 1HG ARG 26 HG2 ARG 26 7.604 -5.116 1.413 189 2HG ARG 26 HG1 ARG 26 7.738 -3.722 0.345 190 1HD ARG 26 HD2 ARG 26 10.115 -5.117 1.569 191 2HD ARG 26 HD1 ARG 26 9.445 -5.543 0.000 192 HE ARG 26 HE ARG 26 10.317 -3.588 -0.897 193 1HH1 ARG 26 HH11 ARG 26 10.933 -3.727 2.547 194 2HH1 ARG 26 HH12 ARG 26 11.952 -2.330 2.542 195 1HH2 ARG 26 HH21 ARG 26 11.669 -1.766 -0.889 196 2HH2 ARG 26 HH22 ARG 26 12.371 -1.221 0.598 197 H GLU 27 HN GLU 27 10.174 -5.144 3.533 198 HA GLU 27 HA GLU 27 9.474 -7.689 2.704 199 1HB GLU 27 HB2 GLU 27 11.683 -8.415 3.399 200 2HB GLU 27 HB1 GLU 27 11.774 -6.833 2.638 201 1HG GLU 27 HG2 GLU 27 11.713 -7.238 5.616 202 2HG GLU 27 HG1 GLU 27 13.199 -7.148 4.673 203 H GLU 28 HN GLU 28 9.729 -6.442 6.004 204 HA GLU 28 HA GLU 28 9.270 -9.029 7.184 205 1HB GLU 28 HB2 GLU 28 10.635 -7.357 8.332 206 2HB GLU 28 HB1 GLU 28 9.254 -6.275 8.422 207 1HG GLU 28 HG2 GLU 28 8.086 -7.872 9.846 208 2HG GLU 28 HG1 GLU 28 9.465 -8.966 9.751 209 H SER 29 HN SER 29 7.329 -6.223 6.378 210 HA SER 29 HA SER 29 5.057 -6.796 7.900 211 1HB SER 29 HB2 SER 29 5.331 -4.646 6.806 212 2HB SER 29 HB1 SER 29 5.280 -5.411 5.220 213 HG SER 29 HG SER 29 3.220 -4.842 6.994 214 H GLN 30 HN GLN 30 6.170 -8.089 4.851 215 HA GLN 30 HA GLN 30 3.801 -9.281 3.972 216 1HB GLN 30 HB2 GLN 30 6.646 -10.230 3.592 217 2HB GLN 30 HB1 GLN 30 5.259 -10.794 2.670 218 1HG GLN 30 HG2 GLN 30 4.921 -8.550 1.789 219 2HG GLN 30 HG1 GLN 30 6.301 -7.973 2.720 220 H ARG 31 HN ARG 31 6.035 -10.181 6.468 221 HA ARG 31 HA ARG 31 5.135 -12.893 6.705 222 1HB ARG 31 HB2 ARG 31 7.393 -12.253 7.397 223 2HB ARG 31 HB1 ARG 31 6.730 -11.164 8.605 224 1HG ARG 31 HG2 ARG 31 7.481 -13.163 9.683 225 2HG ARG 31 HG1 ARG 31 5.719 -13.111 9.749 226 1HD ARG 31 HD2 ARG 31 7.251 -14.630 7.648 227 2HD ARG 31 HD1 ARG 31 6.739 -15.347 9.173 228 HE ARG 31 HE ARG 31 4.491 -14.211 8.000 229 1HH1 ARG 31 HH11 ARG 31 6.767 -16.764 7.316 230 2HH1 ARG 31 HH12 ARG 31 5.621 -17.722 6.440 231 1HH2 ARG 31 HH21 ARG 31 2.982 -15.467 6.849 232 2HH2 ARG 31 HH22 ARG 31 3.472 -16.985 6.174 233 H LEU 32 HN LEU 32 4.476 -9.838 8.363 234 HA LEU 32 HA LEU 32 2.774 -10.995 10.342 235 1HB LEU 32 HB2 LEU 32 3.087 -8.153 9.384 236 2HB LEU 32 HB1 LEU 32 2.041 -8.618 10.711 237 HG LEU 32 HG LEU 32 4.022 -9.481 11.931 238 1HD1 LEU 32 1HD1 LEU 32 5.539 -10.026 10.204 239 2HD1 LEU 32 2HD1 LEU 32 6.257 -8.676 11.083 240 3HD1 LEU 32 3HD1 LEU 32 5.470 -8.397 9.531 241 1HD2 LEU 32 1HD2 LEU 32 4.579 -7.430 12.785 242 2HD2 LEU 32 2HD2 LEU 32 3.094 -7.026 11.925 243 3HD2 LEU 32 3HD2 LEU 32 4.659 -6.666 11.198 244 H ILE 33 HN ILE 33 2.024 -8.931 7.527 245 HA ILE 33 HA ILE 33 -0.779 -9.456 7.687 246 HB ILE 33 HB ILE 33 0.887 -8.211 5.494 247 1HG1 ILE 33 2HG1 ILE 33 -0.226 -6.119 6.278 248 2HG1 ILE 33 1HG1 ILE 33 -0.952 -7.037 7.592 249 1HG2 ILE 33 1HG2 ILE 33 -1.978 -8.929 5.584 250 2HG2 ILE 33 2HG2 ILE 33 -0.890 -8.768 4.206 251 3HG2 ILE 33 3HG2 ILE 33 -1.584 -7.329 4.955 252 1HD1 ILE 33 1HD1 ILE 33 2.016 -6.918 7.208 253 2HD1 ILE 33 2HD1 ILE 33 1.102 -7.351 8.653 254 3HD1 ILE 33 3HD1 ILE 33 1.136 -5.677 8.099 255 H GLY 34 HN GLY 34 1.778 -11.344 6.614 256 1HA GLY 34 HA2 GLY 34 0.191 -12.668 4.537 257 2HA GLY 34 HA1 GLY 34 1.894 -12.948 4.871 258 H GLN 35 HN GLN 35 -0.283 -12.751 7.490 259 HA GLN 35 HA GLN 35 -0.131 -15.652 7.874 260 1HB GLN 35 HB2 GLN 35 -0.327 -15.294 10.216 261 2HB GLN 35 HB1 GLN 35 0.847 -14.113 9.658 262 1HG GLN 35 HG2 GLN 35 -0.473 -12.896 11.107 263 2HG GLN 35 HG1 GLN 35 -1.155 -12.501 9.530 264 H GLN 36 HN GLN 36 -2.111 -13.067 6.944 265 HA GLN 36 HA GLN 36 -4.585 -14.002 8.003 266 1HB GLN 36 HB2 GLN 36 -3.715 -11.856 6.192 267 2HB GLN 36 HB1 GLN 36 -5.316 -12.498 5.846 268 1HG GLN 36 HG2 GLN 36 -6.200 -11.437 7.572 269 2HG GLN 36 HG1 GLN 36 -4.978 -12.071 8.670 270 H GLY 37 HN GLY 37 -6.435 -14.452 6.314 271 1HA GLY 37 HA2 GLY 37 -5.444 -16.202 4.166 272 2HA GLY 37 HA1 GLY 37 -6.552 -16.865 5.363 273 H LEU 38 HN LEU 38 -7.076 -13.580 4.614 274 HA LEU 38 HA LEU 38 -9.610 -14.212 3.409 275 1HB LEU 38 HB2 LEU 38 -8.278 -11.570 3.992 276 2HB LEU 38 HB1 LEU 38 -9.907 -11.741 3.369 277 HG LEU 38 HG LEU 38 -9.999 -11.313 5.737 278 1HD1 LEU 38 1HD1 LEU 38 -11.392 -13.217 4.498 279 2HD1 LEU 38 2HD1 LEU 38 -11.604 -12.837 6.208 280 3HD1 LEU 38 3HD1 LEU 38 -10.603 -14.207 5.726 281 1HD2 LEU 38 1HD2 LEU 38 -8.537 -13.867 6.293 282 2HD2 LEU 38 2HD2 LEU 38 -8.875 -12.518 7.378 283 3HD2 LEU 38 3HD2 LEU 38 -7.668 -12.343 6.103 284 H VAL 39 HN VAL 39 -10.149 -12.387 1.577 285 HA VAL 39 HA VAL 39 -8.678 -13.274 -0.724 286 HB VAL 39 HB VAL 39 -10.300 -11.980 -2.022 287 1HG1 VAL 39 1HG1 VAL 39 -11.901 -13.558 -1.816 288 2HG1 VAL 39 2HG1 VAL 39 -12.060 -13.322 -0.075 289 3HG1 VAL 39 3HG1 VAL 39 -10.736 -14.295 -0.716 290 1HG2 VAL 39 1HG2 VAL 39 -12.249 -11.202 -0.260 291 2HG2 VAL 39 2HG2 VAL 39 -11.074 -10.129 -1.020 292 3HG2 VAL 39 3HG2 VAL 39 -10.770 -10.765 0.597 293 H ASP 40 HN ASP 40 -8.443 -11.479 -2.500 294 HA ASP 40 HA ASP 40 -6.278 -9.833 -1.649 295 1HB ASP 40 HB2 ASP 40 -7.793 -9.427 -4.217 296 2HB ASP 40 HB1 ASP 40 -6.078 -9.194 -3.909 297 H GLY 41 HN GLY 41 -8.084 -9.209 0.050 298 1HA GLY 41 HA2 GLY 41 -8.997 -6.516 -0.806 299 2HA GLY 41 HA1 GLY 41 -10.122 -7.603 0.002 300 H LEU 42 HN LEU 42 -7.261 -8.263 1.410 301 HA LEU 42 HA LEU 42 -7.875 -6.393 3.573 302 1HB LEU 42 HB2 LEU 42 -6.284 -8.954 3.493 303 2HB LEU 42 HB1 LEU 42 -6.288 -7.888 4.883 304 HG LEU 42 HG LEU 42 -7.833 -9.851 5.059 305 1HD1 LEU 42 1HD1 LEU 42 -9.686 -7.585 5.128 306 2HD1 LEU 42 2HD1 LEU 42 -8.154 -7.303 5.954 307 3HD1 LEU 42 3HD1 LEU 42 -9.165 -8.670 6.417 308 1HD2 LEU 42 1HD2 LEU 42 -9.900 -9.852 3.818 309 2HD2 LEU 42 2HD2 LEU 42 -8.541 -9.872 2.694 310 3HD2 LEU 42 3HD2 LEU 42 -9.434 -8.377 2.975 311 H PHE 43 HN PHE 43 -6.966 -4.555 2.998 312 HA PHE 43 HA PHE 43 -4.046 -4.597 2.660 313 1HB PHE 43 HB2 PHE 43 -4.176 -2.828 0.994 314 2HB PHE 43 HB1 PHE 43 -5.077 -4.247 0.477 315 HD1 PHE 43 HD1 PHE 43 -7.106 -2.766 2.874 316 HD2 PHE 43 HD2 PHE 43 -5.695 -2.144 -1.092 317 HE1 PHE 43 HE1 PHE 43 -9.031 -1.315 2.422 318 HE2 PHE 43 HE2 PHE 43 -7.627 -0.697 -1.552 319 HZ PHE 43 HZ PHE 43 -9.294 -0.278 0.207 320 H LEU 44 HN LEU 44 -2.993 -2.480 2.999 321 HA LEU 44 HA LEU 44 -4.379 -0.691 4.860 322 1HB LEU 44 HB2 LEU 44 -3.165 -2.359 6.226 323 2HB LEU 44 HB1 LEU 44 -1.679 -1.943 5.398 324 HG LEU 44 HG LEU 44 -1.860 0.376 6.333 325 1HD1 LEU 44 1HD1 LEU 44 -3.829 -0.596 8.328 326 2HD1 LEU 44 2HD1 LEU 44 -4.438 -0.111 6.747 327 3HD1 LEU 44 3HD1 LEU 44 -3.528 1.035 7.729 328 1HD2 LEU 44 1HD2 LEU 44 -1.517 -2.085 7.958 329 2HD2 LEU 44 2HD2 LEU 44 -1.588 -0.542 8.809 330 3HD2 LEU 44 3HD2 LEU 44 -0.362 -0.809 7.569 331 H VAL 45 HN VAL 45 -3.594 1.452 4.786 332 HA VAL 45 HA VAL 45 -1.769 1.955 2.536 333 HB VAL 45 HB VAL 45 -3.624 3.869 3.972 334 1HG1 VAL 45 1HG1 VAL 45 -1.578 4.950 3.095 335 2HG1 VAL 45 2HG1 VAL 45 -3.040 5.481 2.265 336 3HG1 VAL 45 3HG1 VAL 45 -1.961 4.319 1.493 337 1HG2 VAL 45 1HG2 VAL 45 -4.829 3.850 1.787 338 2HG2 VAL 45 2HG2 VAL 45 -4.882 2.313 2.651 339 3HG2 VAL 45 3HG2 VAL 45 -3.788 2.517 1.283 340 H ARG 46 HN ARG 46 0.144 1.517 3.527 341 HA ARG 46 HA ARG 46 0.975 3.442 5.593 342 1HB ARG 46 HB2 ARG 46 2.376 1.778 6.592 343 2HB ARG 46 HB1 ARG 46 0.777 1.071 6.420 344 1HG ARG 46 HG2 ARG 46 2.321 -0.601 5.796 345 2HG ARG 46 HG1 ARG 46 1.610 -0.001 4.294 346 1HD ARG 46 HD2 ARG 46 3.524 1.246 3.763 347 2HD ARG 46 HD1 ARG 46 4.166 1.111 5.393 348 HE ARG 46 HE ARG 46 3.902 -1.370 3.935 349 1HH1 ARG 46 HH11 ARG 46 5.939 1.297 4.898 350 2HH1 ARG 46 HH12 ARG 46 7.409 0.491 4.473 351 1HH2 ARG 46 HH21 ARG 46 5.855 -2.415 3.357 352 2HH2 ARG 46 HH22 ARG 46 7.358 -1.601 3.634 353 H GLU 47 HN GLU 47 3.510 3.683 5.534 354 HA GLU 47 HA GLU 47 4.387 3.334 2.779 355 1HB GLU 47 HB2 GLU 47 5.044 5.660 2.555 356 2HB GLU 47 HB1 GLU 47 3.321 5.514 2.830 357 1HG GLU 47 HG2 GLU 47 3.660 6.092 5.185 358 2HG GLU 47 HG1 GLU 47 5.386 6.287 4.878 359 H SER 48 HN SER 48 6.607 4.908 2.828 360 HA SER 48 HA SER 48 8.306 3.550 4.799 361 1HB SER 48 HB2 SER 48 8.702 2.606 2.605 362 2HB SER 48 HB1 SER 48 8.790 4.195 1.869 363 HG SER 48 HG SER 48 10.700 4.487 3.260 364 H GLN 49 HN GLN 49 9.501 4.909 6.055 365 HA GLN 49 HA GLN 49 9.305 7.765 5.435 366 1HB GLN 49 HB2 GLN 49 9.851 8.177 7.743 367 2HB GLN 49 HB1 GLN 49 8.611 6.929 7.695 368 1HG GLN 49 HG2 GLN 49 10.163 6.275 9.336 369 2HG GLN 49 HG1 GLN 49 10.451 5.240 7.940 370 H ARG 50 HN ARG 50 11.178 5.530 4.440 371 HA ARG 50 HA ARG 50 13.761 6.811 4.911 372 1HB ARG 50 HB2 ARG 50 13.864 4.450 5.246 373 2HB ARG 50 HB1 ARG 50 12.938 4.131 3.787 374 1HG ARG 50 HG2 ARG 50 15.159 3.561 3.290 375 2HG ARG 50 HG1 ARG 50 14.857 5.106 2.492 376 1HD ARG 50 HD2 ARG 50 16.187 4.827 5.186 377 2HD ARG 50 HD1 ARG 50 17.070 4.935 3.664 378 HE ARG 50 HE ARG 50 15.362 7.121 3.775 379 1HH1 ARG 50 HH11 ARG 50 18.094 5.875 5.550 380 2HH1 ARG 50 HH12 ARG 50 18.651 7.440 6.034 381 1HH2 ARG 50 HH21 ARG 50 16.092 9.181 4.409 382 2HH2 ARG 50 HH22 ARG 50 17.516 9.318 5.386 383 H ASN 51 HN ASN 51 12.551 5.059 2.061 384 HA ASN 51 HA ASN 51 13.730 6.461 0.054 385 1HB ASN 51 HB2 ASN 51 11.676 5.930 -1.300 386 2HB ASN 51 HB1 ASN 51 12.329 4.564 -0.394 387 1HD2 ASN 51 1HD2 ASN 51 11.083 6.426 1.943 388 2HD2 ASN 51 2HD2 ASN 51 9.489 5.809 2.019 389 HA PRO 52 HA PRO 52 12.639 10.821 0.601 390 1HB PRO 52 HB2 PRO 52 12.875 10.568 -2.380 391 2HB PRO 52 HB1 PRO 52 13.481 11.842 -1.313 392 1HG PRO 52 HG2 PRO 52 15.101 9.922 -2.231 393 2HG PRO 52 HG1 PRO 52 15.274 10.573 -0.592 394 1HD PRO 52 HD2 PRO 52 14.289 7.932 -1.468 395 2HD PRO 52 HD1 PRO 52 14.967 8.423 0.096 396 H GLN 53 HN GLN 53 11.121 8.657 -1.717 397 HA GLN 53 HA GLN 53 8.599 10.166 -1.453 398 1HB GLN 53 HB2 GLN 53 9.568 8.521 -3.799 399 2HB GLN 53 HB1 GLN 53 7.999 9.306 -3.683 400 1HG GLN 53 HG2 GLN 53 9.065 11.483 -3.625 401 2HG GLN 53 HG1 GLN 53 10.652 10.724 -3.668 402 H GLY 54 HN GLY 54 8.447 8.760 0.522 403 1HA GLY 54 HA2 GLY 54 7.845 5.961 -0.094 404 2HA GLY 54 HA1 GLY 54 8.161 6.619 1.491 405 H PHE 55 HN PHE 55 5.794 6.008 -0.917 406 HA PHE 55 HA PHE 55 3.635 6.226 1.027 407 1HB PHE 55 HB2 PHE 55 3.487 7.371 -1.788 408 2HB PHE 55 HB1 PHE 55 2.146 7.266 -0.654 409 HD1 PHE 55 HD1 PHE 55 5.623 8.628 -0.772 410 HD2 PHE 55 HD2 PHE 55 1.593 9.171 0.481 411 HE1 PHE 55 HE1 PHE 55 6.203 10.848 0.117 412 HE2 PHE 55 HE2 PHE 55 2.166 11.393 1.370 413 HZ PHE 55 HZ PHE 55 4.473 12.235 1.188 414 H VAL 56 HN VAL 56 2.939 4.188 1.152 415 HA VAL 56 HA VAL 56 2.637 2.637 -1.323 416 HB VAL 56 HB VAL 56 4.114 1.085 -0.697 417 1HG1 VAL 56 1HG1 VAL 56 4.754 1.813 2.037 418 2HG1 VAL 56 2HG1 VAL 56 4.822 3.195 0.944 419 3HG1 VAL 56 3HG1 VAL 56 5.781 1.760 0.610 420 1HG2 VAL 56 1HG2 VAL 56 2.418 -0.191 0.355 421 2HG2 VAL 56 2HG2 VAL 56 2.440 0.827 1.796 422 3HG2 VAL 56 3HG2 VAL 56 3.810 -0.218 1.434 423 H LEU 57 HN LEU 57 1.317 0.773 -1.171 424 HA LEU 57 HA LEU 57 -0.818 0.908 0.831 425 1HB LEU 57 HB2 LEU 57 -1.438 1.714 -1.551 426 2HB LEU 57 HB1 LEU 57 -1.254 0.036 -2.024 427 HG LEU 57 HG LEU 57 -3.265 1.186 -0.100 428 1HD1 LEU 57 1HD1 LEU 57 -3.390 -0.041 -2.826 429 2HD1 LEU 57 2HD1 LEU 57 -4.080 1.478 -2.252 430 3HD1 LEU 57 3HD1 LEU 57 -4.791 -0.059 -1.755 431 1HD2 LEU 57 1HD2 LEU 57 -2.508 -1.673 -0.625 432 2HD2 LEU 57 2HD2 LEU 57 -4.084 -1.206 0.014 433 3HD2 LEU 57 3HD2 LEU 57 -2.616 -0.832 0.923 434 H SER 58 HN SER 58 -0.895 -0.986 1.929 435 HA SER 58 HA SER 58 0.629 -3.243 0.857 436 1HB SER 58 HB2 SER 58 -0.514 -2.942 3.640 437 2HB SER 58 HB1 SER 58 0.756 -4.047 3.111 438 HG SER 58 HG SER 58 1.011 -1.237 2.924 439 H LEU 59 HN LEU 59 -0.411 -4.835 -0.114 440 HA LEU 59 HA LEU 59 -3.271 -5.166 0.398 441 1HB LEU 59 HB2 LEU 59 -1.554 -6.206 -1.854 442 2HB LEU 59 HB1 LEU 59 -3.289 -6.429 -1.715 443 HG LEU 59 HG LEU 59 -1.893 -3.766 -2.000 444 1HD1 LEU 59 1HD1 LEU 59 -3.749 -4.781 -4.058 445 2HD1 LEU 59 2HD1 LEU 59 -2.161 -5.543 -3.978 446 3HD1 LEU 59 3HD1 LEU 59 -2.294 -3.803 -4.223 447 1HD2 LEU 59 1HD2 LEU 59 -4.691 -4.568 -1.450 448 2HD2 LEU 59 2HD2 LEU 59 -4.432 -3.235 -2.574 449 3HD2 LEU 59 3HD2 LEU 59 -3.796 -3.140 -0.933 450 H CYS 60 HN CYS 60 -4.074 -7.459 0.096 451 HA CYS 60 HA CYS 60 -2.350 -9.508 1.176 452 1HB CYS 60 HB2 CYS 60 -3.560 -8.457 3.133 453 2HB CYS 60 HB1 CYS 60 -5.070 -8.953 2.375 454 HG CYS 60 HG CYS 60 -2.901 -11.464 2.734 455 H HIS 61 HN HIS 61 -2.467 -9.968 -0.969 456 HA HIS 61 HA HIS 61 -4.878 -10.554 -2.305 457 1HB HIS 61 HB2 HIS 61 -3.189 -9.767 -3.585 458 2HB HIS 61 HB1 HIS 61 -1.962 -10.711 -2.808 459 HD1 HIS 61 HD1 HIS 61 -2.657 -13.514 -3.506 460 HD2 HIS 61 HD2 HIS 61 -3.339 -10.397 -6.136 461 HE1 HIS 61 HE1 HIS 61 -2.795 -14.577 -5.775 462 HE2 HIS 61 HE2 HIS 61 -2.998 -12.640 -7.363 463 H LEU 62 HN LEU 62 -5.081 -12.863 -3.372 464 HA LEU 62 HA LEU 62 -5.024 -14.670 -1.063 465 1HB LEU 62 HB2 LEU 62 -6.596 -16.074 -2.355 466 2HB LEU 62 HB1 LEU 62 -7.173 -14.442 -2.081 467 HG LEU 62 HG LEU 62 -6.406 -13.883 -4.419 468 1HD1 LEU 62 1HD1 LEU 62 -5.899 -16.830 -4.427 469 2HD1 LEU 62 2HD1 LEU 62 -4.868 -15.516 -4.996 470 3HD1 LEU 62 3HD1 LEU 62 -6.307 -15.965 -5.910 471 1HD2 LEU 62 1HD2 LEU 62 -8.766 -14.562 -3.639 472 2HD2 LEU 62 2HD2 LEU 62 -8.433 -16.085 -4.466 473 3HD2 LEU 62 3HD2 LEU 62 -8.412 -14.569 -5.367 474 H GLN 63 HN GLN 63 -2.710 -14.225 -2.068 475 HA GLN 63 HA GLN 63 -1.894 -16.870 -2.332 476 1HB GLN 63 HB2 GLN 63 -1.229 -14.946 -4.556 477 2HB GLN 63 HB1 GLN 63 -0.276 -16.386 -4.241 478 1HG GLN 63 HG2 GLN 63 -2.229 -17.783 -4.637 479 2HG GLN 63 HG1 GLN 63 -3.202 -16.347 -4.933 480 H LYS 64 HN LYS 64 -1.204 -13.448 -2.138 481 HA LYS 64 HA LYS 64 0.763 -14.039 -0.106 482 1HB LYS 64 HB2 LYS 64 2.588 -12.798 -1.159 483 2HB LYS 64 HB1 LYS 64 2.100 -14.166 -2.149 484 1HG LYS 64 HG2 LYS 64 0.834 -12.678 -3.605 485 2HG LYS 64 HG1 LYS 64 1.299 -11.299 -2.607 486 1HD LYS 64 HD2 LYS 64 2.704 -11.446 -4.594 487 2HD LYS 64 HD1 LYS 64 3.655 -11.719 -3.132 488 1HE LYS 64 HE2 LYS 64 4.262 -13.301 -4.886 489 2HE LYS 64 HE1 LYS 64 3.547 -14.129 -3.504 490 1HZ LYS 64 HZ1 LYS 64 2.686 -14.979 -5.596 491 2HZ LYS 64 HZ2 LYS 64 2.132 -13.440 -6.023 492 3HZ LYS 64 HZ3 LYS 64 1.453 -14.244 -4.700 493 H VAL 65 HN VAL 65 1.982 -11.591 0.064 494 HA VAL 65 HA VAL 65 -0.090 -9.547 0.251 495 HB VAL 65 HB VAL 65 0.663 -8.908 2.519 496 1HG1 VAL 65 1HG1 VAL 65 -0.210 -11.135 3.624 497 2HG1 VAL 65 2HG1 VAL 65 -0.592 -11.541 1.954 498 3HG1 VAL 65 3HG1 VAL 65 -1.283 -10.096 2.693 499 1HG2 VAL 65 1HG2 VAL 65 2.174 -11.520 2.479 500 2HG2 VAL 65 2HG2 VAL 65 2.032 -10.411 3.842 501 3HG2 VAL 65 3HG2 VAL 65 2.909 -9.920 2.395 502 H LYS 66 HN LYS 66 0.706 -7.629 -0.519 503 HA LYS 66 HA LYS 66 3.600 -7.207 -0.374 504 1HB LYS 66 HB2 LYS 66 3.724 -6.529 -2.731 505 2HB LYS 66 HB1 LYS 66 3.276 -8.215 -2.542 506 1HG LYS 66 HG2 LYS 66 1.268 -6.036 -3.023 507 2HG LYS 66 HG1 LYS 66 2.056 -6.928 -4.323 508 1HD LYS 66 HD2 LYS 66 1.200 -9.038 -3.235 509 2HD LYS 66 HD1 LYS 66 0.231 -8.007 -2.184 510 1HE LYS 66 HE2 LYS 66 -1.086 -8.783 -4.071 511 2HE LYS 66 HE1 LYS 66 -0.865 -7.036 -4.136 512 1HZ LYS 66 HZ1 LYS 66 0.807 -8.961 -5.652 513 2HZ LYS 66 HZ2 LYS 66 0.779 -7.278 -5.817 514 3HZ LYS 66 HZ3 LYS 66 -0.559 -8.195 -6.294 515 H HIS 67 HN HIS 67 4.022 -4.967 -1.646 516 HA HIS 67 HA HIS 67 2.151 -2.988 -0.519 517 1HB HIS 67 HB2 HIS 67 5.171 -2.813 -0.561 518 2HB HIS 67 HB1 HIS 67 4.069 -1.625 0.123 519 HD1 HIS 67 HD1 HIS 67 2.769 -2.375 2.319 520 HD2 HIS 67 HD2 HIS 67 5.806 -4.915 1.075 521 HE1 HIS 67 HE1 HIS 67 3.214 -3.895 4.272 522 HE2 HIS 67 HE2 HIS 67 4.925 -5.537 3.419 523 H TYR 68 HN TYR 68 2.388 -0.804 -1.530 524 HA TYR 68 HA TYR 68 3.477 -0.860 -4.231 525 1HB TYR 68 HB2 TYR 68 0.652 -0.042 -3.573 526 2HB TYR 68 HB1 TYR 68 1.423 0.169 -5.138 527 HD1 TYR 68 HD1 TYR 68 1.118 -1.461 -6.747 528 HD2 TYR 68 HD2 TYR 68 0.638 -2.521 -2.666 529 HE1 TYR 68 HE1 TYR 68 0.348 -3.684 -7.429 530 HE2 TYR 68 HE2 TYR 68 -0.130 -4.756 -3.328 531 HH TYR 68 HH TYR 68 -1.292 -5.559 -6.071 532 H LEU 69 HN LEU 69 5.106 0.583 -3.560 533 HA LEU 69 HA LEU 69 4.176 3.348 -3.224 534 1HB LEU 69 HB2 LEU 69 4.689 3.117 -1.039 535 2HB LEU 69 HB1 LEU 69 5.817 1.829 -1.310 536 HG LEU 69 HG LEU 69 6.633 4.144 -0.390 537 1HD1 LEU 69 1HD1 LEU 69 8.405 2.793 -0.652 538 2HD1 LEU 69 2HD1 LEU 69 8.699 3.777 -2.086 539 3HD1 LEU 69 3HD1 LEU 69 7.874 2.231 -2.235 540 1HD2 LEU 69 1HD2 LEU 69 5.588 5.084 -2.735 541 2HD2 LEU 69 2HD2 LEU 69 7.291 4.888 -3.147 542 3HD2 LEU 69 3HD2 LEU 69 6.828 5.890 -1.783 543 H ILE 70 HN ILE 70 5.020 4.351 -4.966 544 HA ILE 70 HA ILE 70 7.922 4.240 -4.984 545 HB ILE 70 HB ILE 70 6.498 3.476 -7.497 546 1HG1 ILE 70 2HG1 ILE 70 8.334 2.036 -5.588 547 2HG1 ILE 70 1HG1 ILE 70 6.630 1.713 -5.819 548 1HG2 ILE 70 1HG2 ILE 70 8.391 3.801 -8.681 549 2HG2 ILE 70 2HG2 ILE 70 9.426 3.327 -7.336 550 3HG2 ILE 70 3HG2 ILE 70 8.764 4.955 -7.404 551 1HD1 ILE 70 1HD1 ILE 70 8.794 0.503 -7.059 552 2HD1 ILE 70 2HD1 ILE 70 7.983 1.459 -8.290 553 3HD1 ILE 70 3HD1 ILE 70 7.084 0.264 -7.368 554 H LEU 71 HN LEU 71 5.058 5.586 -6.255 555 HA LEU 71 HA LEU 71 6.556 8.115 -6.589 556 1HB LEU 71 HB2 LEU 71 4.163 7.420 -8.233 557 2HB LEU 71 HB1 LEU 71 5.422 8.584 -8.582 558 HG LEU 71 HG LEU 71 5.731 5.575 -8.682 559 1HD1 LEU 71 1HD1 LEU 71 4.416 6.062 -10.517 560 2HD1 LEU 71 2HD1 LEU 71 6.048 6.165 -11.177 561 3HD1 LEU 71 3HD1 LEU 71 5.168 7.637 -10.769 562 1HD2 LEU 71 1HD2 LEU 71 7.652 7.616 -9.761 563 2HD2 LEU 71 2HD2 LEU 71 7.903 5.884 -9.520 564 3HD2 LEU 71 3HD2 LEU 71 7.792 6.967 -8.128 565 HA PRO 72 HA PRO 72 3.332 9.557 -3.847 566 1HB PRO 72 HB2 PRO 72 4.429 11.909 -3.230 567 2HB PRO 72 HB1 PRO 72 5.169 10.396 -2.699 568 1HG PRO 72 HG2 PRO 72 5.963 12.219 -4.919 569 2HG PRO 72 HG1 PRO 72 6.982 11.279 -3.816 570 1HD PRO 72 HD2 PRO 72 6.263 10.560 -6.433 571 2HD PRO 72 HD1 PRO 72 6.977 9.491 -5.214 572 H SER 73 HN SER 73 2.754 12.311 -3.651 573 HA SER 73 HA SER 73 1.076 12.629 -5.980 574 1HB SER 73 HB2 SER 73 0.104 14.527 -4.734 575 2HB SER 73 HB1 SER 73 0.133 13.054 -3.765 576 HG SER 73 HG SER 73 1.311 14.082 -2.378 577 H GLU 74 HN GLU 74 1.851 13.565 -7.755 578 HA GLU 74 HA GLU 74 3.920 15.626 -7.495 579 1HB GLU 74 HB2 GLU 74 2.994 14.024 -9.882 580 2HB GLU 74 HB1 GLU 74 4.185 15.313 -9.971 581 1HG GLU 74 HG2 GLU 74 5.290 13.181 -9.919 582 2HG GLU 74 HG1 GLU 74 5.630 14.062 -8.432 583 H GLU 75 HN GLU 75 3.692 17.209 -9.581 584 HA GLU 75 HA GLU 75 1.146 18.545 -9.134 585 1HB GLU 75 HB2 GLU 75 3.285 19.763 -8.805 586 2HB GLU 75 HB1 GLU 75 3.672 19.500 -10.498 587 1HG GLU 75 HG2 GLU 75 1.118 20.822 -9.837 588 2HG GLU 75 HG1 GLU 75 2.608 21.735 -9.631 589 H GLU 76 HN GLU 76 2.037 16.213 -11.012 590 HA GLU 76 HA GLU 76 0.860 17.260 -13.482 591 1HB GLU 76 HB2 GLU 76 3.030 16.162 -13.786 592 2HB GLU 76 HB1 GLU 76 2.438 14.724 -12.969 593 1HG GLU 76 HG2 GLU 76 2.465 14.376 -15.353 594 2HG GLU 76 HG1 GLU 76 0.803 14.390 -14.764 595 H GLY 77 HN GLY 77 0.203 15.541 -10.644 596 1HA GLY 77 HA2 GLY 77 -2.464 14.972 -11.422 597 2HA GLY 77 HA1 GLY 77 -1.507 13.499 -11.447 598 H ARG 78 HN ARG 78 -1.604 12.358 -9.664 599 HA ARG 78 HA ARG 78 -1.655 13.700 -7.063 600 1HB ARG 78 HB2 ARG 78 -3.600 11.551 -7.926 601 2HB ARG 78 HB1 ARG 78 -3.459 12.181 -6.292 602 1HG ARG 78 HG2 ARG 78 -4.208 13.817 -8.704 603 2HG ARG 78 HG1 ARG 78 -5.353 13.132 -7.549 604 1HD ARG 78 HD2 ARG 78 -3.177 15.131 -6.938 605 2HD ARG 78 HD1 ARG 78 -4.906 15.469 -7.039 606 HE ARG 78 HE ARG 78 -4.501 13.439 -5.155 607 1HH1 ARG 78 HH11 ARG 78 -3.851 16.843 -5.573 608 2HH1 ARG 78 HH12 ARG 78 -3.890 17.188 -3.877 609 1HH2 ARG 78 HH21 ARG 78 -4.553 13.891 -2.921 610 2HH2 ARG 78 HH22 ARG 78 -4.288 15.512 -2.371 611 H LEU 79 HN LEU 79 -2.310 10.765 -6.069 612 HA LEU 79 HA LEU 79 0.379 10.046 -5.576 613 1HB LEU 79 HB2 LEU 79 -2.176 8.459 -5.321 614 2HB LEU 79 HB1 LEU 79 -0.613 7.862 -4.805 615 HG LEU 79 HG LEU 79 -1.843 8.681 -2.895 616 1HD1 LEU 79 1HD1 LEU 79 0.144 10.851 -3.309 617 2HD1 LEU 79 2HD1 LEU 79 0.704 9.179 -3.337 618 3HD1 LEU 79 3HD1 LEU 79 -0.121 9.809 -1.911 619 1HD2 LEU 79 1HD2 LEU 79 -2.744 10.825 -2.689 620 2HD2 LEU 79 2HD2 LEU 79 -3.182 10.333 -4.325 621 3HD2 LEU 79 3HD2 LEU 79 -1.834 11.441 -4.069 622 H TYR 80 HN TYR 80 1.789 9.163 -6.988 623 HA TYR 80 HA TYR 80 0.738 8.071 -9.440 624 1HB TYR 80 HB2 TYR 80 3.368 9.099 -8.585 625 2HB TYR 80 HB1 TYR 80 3.353 7.909 -9.884 626 HD1 TYR 80 HD1 TYR 80 0.695 10.405 -9.297 627 HD2 TYR 80 HD2 TYR 80 4.076 9.336 -11.644 628 HE1 TYR 80 HE1 TYR 80 0.131 12.179 -10.903 629 HE2 TYR 80 HE2 TYR 80 3.521 11.105 -13.259 630 HH TYR 80 HH TYR 80 1.146 12.341 -13.891 631 H PHE 81 HN PHE 81 0.334 6.121 -9.811 632 HA PHE 81 HA PHE 81 1.812 3.946 -8.583 633 1HB PHE 81 HB2 PHE 81 -1.144 4.248 -8.979 634 2HB PHE 81 HB1 PHE 81 -0.409 2.661 -8.813 635 HD1 PHE 81 HD1 PHE 81 0.139 5.898 -7.017 636 HD2 PHE 81 HD2 PHE 81 -0.947 1.794 -6.758 637 HE1 PHE 81 HE1 PHE 81 0.016 6.087 -4.570 638 HE2 PHE 81 HE2 PHE 81 -1.077 1.980 -4.310 639 HZ PHE 81 HZ PHE 81 -0.596 4.129 -3.214 640 H SER 82 HN SER 82 2.748 2.588 -9.986 641 HA SER 82 HA SER 82 1.538 2.300 -12.632 642 1HB SER 82 HB2 SER 82 3.739 2.515 -13.723 643 2HB SER 82 HB1 SER 82 3.230 4.008 -12.938 644 HG SER 82 HG SER 82 5.316 3.703 -12.337 645 H MET 83 HN MET 83 2.294 0.662 -10.019 646 HA MET 83 HA MET 83 3.993 -1.333 -10.257 647 1HB MET 83 HB2 MET 83 2.324 -2.915 -9.339 648 2HB MET 83 HB1 MET 83 2.341 -1.372 -8.512 649 1HG MET 83 HG2 MET 83 0.354 -2.118 -10.631 650 2HG MET 83 HG1 MET 83 0.085 -2.333 -8.906 651 1HE MET 83 HE1 MET 83 1.662 0.070 -7.845 652 2HE MET 83 HE2 MET 83 0.039 0.118 -7.162 653 3HE MET 83 HE3 MET 83 0.720 1.553 -7.922 654 H ASP 84 HN ASP 84 4.155 -3.396 -11.176 655 HA ASP 84 HA ASP 84 4.287 -3.731 -13.770 656 1HB ASP 84 HB2 ASP 84 4.905 -5.472 -12.172 657 2HB ASP 84 HB1 ASP 84 3.207 -5.870 -11.933 658 H ASP 85 HN ASP 85 1.263 -4.815 -12.169 659 HA ASP 85 HA ASP 85 -0.060 -4.502 -14.782 660 1HB ASP 85 HB2 ASP 85 -0.866 -6.203 -12.417 661 2HB ASP 85 HB1 ASP 85 -1.745 -6.094 -13.939 662 H GLY 86 HN GLY 86 0.384 -2.383 -12.683 663 1HA GLY 86 HA2 GLY 86 -2.431 -1.545 -12.566 664 2HA GLY 86 HA1 GLY 86 -1.479 -1.517 -11.093 665 H GLN 87 HN GLN 87 -2.798 0.543 -12.943 666 HA GLN 87 HA GLN 87 -0.598 2.468 -12.809 667 1HB GLN 87 HB2 GLN 87 -1.328 3.411 -15.021 668 2HB GLN 87 HB1 GLN 87 -0.554 1.839 -15.127 669 1HG GLN 87 HG2 GLN 87 -3.537 2.176 -15.053 670 2HG GLN 87 HG1 GLN 87 -2.613 2.209 -16.551 671 H THR 88 HN THR 88 -1.912 2.994 -10.862 672 HA THR 88 HA THR 88 -4.352 4.442 -11.585 673 HB THR 88 HB THR 88 -5.024 4.154 -9.216 674 HG1 THR 88 HG1 THR 88 -2.774 2.439 -9.095 675 1HG2 THR 88 1HG2 THR 88 -6.121 2.417 -10.033 676 2HG2 THR 88 2HG2 THR 88 -4.746 1.409 -9.580 677 3HG2 THR 88 3HG2 THR 88 -4.842 2.092 -11.205 678 H ARG 89 HN ARG 89 -1.483 5.420 -11.448 679 HA ARG 89 HA ARG 89 -0.845 7.140 -9.501 680 1HB ARG 89 HB2 ARG 89 0.165 8.623 -11.171 681 2HB ARG 89 HB1 ARG 89 0.456 6.934 -11.553 682 1HG ARG 89 HG2 ARG 89 -1.012 6.960 -13.355 683 2HG ARG 89 HG1 ARG 89 -1.828 8.419 -12.792 684 1HD ARG 89 HD2 ARG 89 0.172 9.736 -13.266 685 2HD ARG 89 HD1 ARG 89 1.016 8.277 -13.792 686 HE ARG 89 HE ARG 89 0.028 8.535 -15.824 687 1HH1 ARG 89 HH11 ARG 89 -1.927 10.203 -13.461 688 2HH1 ARG 89 HH12 ARG 89 -3.069 10.777 -14.628 689 1HH2 ARG 89 HH21 ARG 89 -1.470 9.295 -17.359 690 2HH2 ARG 89 HH22 ARG 89 -2.809 10.264 -16.840 691 H PHE 90 HN PHE 90 -3.275 7.474 -8.798 692 HA PHE 90 HA PHE 90 -3.867 10.260 -9.406 693 1HB PHE 90 HB2 PHE 90 -6.302 9.783 -9.577 694 2HB PHE 90 HB1 PHE 90 -5.370 9.083 -10.893 695 HD1 PHE 90 HD1 PHE 90 -5.882 6.949 -11.523 696 HD2 PHE 90 HD2 PHE 90 -6.609 8.129 -7.503 697 HE1 PHE 90 HE1 PHE 90 -6.890 4.752 -11.065 698 HE2 PHE 90 HE2 PHE 90 -7.612 5.940 -7.036 699 HZ PHE 90 HZ PHE 90 -7.755 4.243 -8.815 700 H THR 91 HN THR 91 -6.103 10.610 -7.847 701 HA THR 91 HA THR 91 -4.952 10.437 -5.219 702 HB THR 91 HB THR 91 -6.222 12.419 -5.858 703 HG1 THR 91 HG1 THR 91 -7.679 10.971 -3.909 704 1HG2 THR 91 1HG2 THR 91 -8.276 12.468 -6.727 705 2HG2 THR 91 2HG2 THR 91 -8.862 11.183 -5.671 706 3HG2 THR 91 3HG2 THR 91 -7.965 10.780 -7.135 707 H ASP 92 HN ASP 92 -4.825 8.202 -4.843 708 HA ASP 92 HA ASP 92 -6.763 6.286 -5.153 709 1HB ASP 92 HB2 ASP 92 -5.623 5.033 -3.362 710 2HB ASP 92 HB1 ASP 92 -4.479 5.754 -4.490 711 H LEU 93 HN LEU 93 -6.553 8.746 -2.689 712 HA LEU 93 HA LEU 93 -8.097 7.811 -0.658 713 1HB LEU 93 HB2 LEU 93 -7.054 10.068 -0.800 714 2HB LEU 93 HB1 LEU 93 -8.354 10.569 -1.861 715 HG LEU 93 HG LEU 93 -8.759 9.646 0.985 716 1HD1 LEU 93 1HD1 LEU 93 -7.603 11.638 1.250 717 2HD1 LEU 93 2HD1 LEU 93 -9.288 12.158 1.255 718 3HD1 LEU 93 3HD1 LEU 93 -8.309 12.356 -0.198 719 1HD2 LEU 93 1HD2 LEU 93 -10.802 9.337 -0.049 720 2HD2 LEU 93 2HD2 LEU 93 -10.563 10.687 -1.158 721 3HD2 LEU 93 3HD2 LEU 93 -10.935 10.994 0.538 722 H LEU 94 HN LEU 94 -9.617 9.879 -3.125 723 HA LEU 94 HA LEU 94 -12.234 9.320 -2.637 724 1HB LEU 94 HB2 LEU 94 -11.363 10.977 -4.268 725 2HB LEU 94 HB1 LEU 94 -11.013 9.666 -5.376 726 HG LEU 94 HG LEU 94 -13.084 10.891 -5.935 727 1HD1 LEU 94 1HD1 LEU 94 -14.089 9.043 -6.738 728 2HD1 LEU 94 2HD1 LEU 94 -14.116 8.241 -5.168 729 3HD1 LEU 94 3HD1 LEU 94 -12.637 8.250 -6.128 730 1HD2 LEU 94 1HD2 LEU 94 -13.553 10.962 -3.275 731 2HD2 LEU 94 2HD2 LEU 94 -14.608 9.634 -3.759 732 3HD2 LEU 94 3HD2 LEU 94 -14.788 11.222 -4.506 733 H GLN 95 HN GLN 95 -10.018 7.412 -4.631 734 HA GLN 95 HA GLN 95 -11.831 5.599 -5.706 735 1HB GLN 95 HB2 GLN 95 -9.462 5.745 -6.386 736 2HB GLN 95 HB1 GLN 95 -8.986 5.053 -4.843 737 1HG GLN 95 HG2 GLN 95 -10.268 3.016 -5.411 738 2HG GLN 95 HG1 GLN 95 -10.601 3.708 -6.994 739 H LEU 96 HN LEU 96 -9.781 5.099 -2.833 740 HA LEU 96 HA LEU 96 -10.643 2.704 -1.943 741 1HB LEU 96 HB2 LEU 96 -8.949 4.166 -0.851 742 2HB LEU 96 HB1 LEU 96 -10.255 5.107 -0.158 743 HG LEU 96 HG LEU 96 -9.795 2.175 0.404 744 1HD1 LEU 96 1HD1 LEU 96 -9.308 4.315 2.411 745 2HD1 LEU 96 2HD1 LEU 96 -8.071 3.997 1.195 746 3HD1 LEU 96 3HD1 LEU 96 -8.597 2.707 2.276 747 1HD2 LEU 96 1HD2 LEU 96 -11.824 4.171 1.236 748 2HD2 LEU 96 2HD2 LEU 96 -11.244 3.041 2.459 749 3HD2 LEU 96 3HD2 LEU 96 -11.981 2.433 0.977 750 H VAL 97 HN VAL 97 -12.285 5.782 -1.269 751 HA VAL 97 HA VAL 97 -14.344 4.796 0.304 752 HB VAL 97 HB VAL 97 -14.479 7.122 -1.619 753 1HG1 VAL 97 1HG1 VAL 97 -16.553 7.497 -0.915 754 2HG1 VAL 97 2HG1 VAL 97 -16.035 7.434 0.770 755 3HG1 VAL 97 3HG1 VAL 97 -16.508 5.954 -0.062 756 1HG2 VAL 97 1HG2 VAL 97 -12.705 7.651 -0.238 757 2HG2 VAL 97 2HG2 VAL 97 -13.398 6.811 1.150 758 3HG2 VAL 97 3HG2 VAL 97 -14.067 8.358 0.630 759 H GLU 98 HN GLU 98 -15.125 5.978 -2.948 760 HA GLU 98 HA GLU 98 -17.392 4.295 -3.163 761 1HB GLU 98 HB2 GLU 98 -17.289 6.453 -4.270 762 2HB GLU 98 HB1 GLU 98 -15.945 5.908 -5.263 763 1HG GLU 98 HG2 GLU 98 -17.389 4.255 -6.324 764 2HG GLU 98 HG1 GLU 98 -18.738 4.786 -5.320 765 H PHE 99 HN PHE 99 -14.230 4.146 -4.809 766 HA PHE 99 HA PHE 99 -14.910 1.903 -6.359 767 1HB PHE 99 HB2 PHE 99 -12.223 3.011 -5.571 768 2HB PHE 99 HB1 PHE 99 -12.416 1.642 -6.651 769 HD1 PHE 99 HD1 PHE 99 -11.901 2.255 -8.780 770 HD2 PHE 99 HD2 PHE 99 -14.201 4.926 -6.394 771 HE1 PHE 99 HE1 PHE 99 -12.135 3.769 -10.703 772 HE2 PHE 99 HE2 PHE 99 -14.439 6.440 -8.311 773 HZ PHE 99 HZ PHE 99 -13.407 5.865 -10.470 774 H HIS 100 HN HIS 100 -14.432 2.019 -3.013 775 HA HIS 100 HA HIS 100 -12.976 -0.200 -2.339 776 1HB HIS 100 HB2 HIS 100 -14.265 -0.377 -0.335 777 2HB HIS 100 HB1 HIS 100 -14.231 1.328 -0.748 778 HD1 HIS 100 HD1 HIS 100 -16.511 1.828 -2.491 779 HD2 HIS 100 HD2 HIS 100 -16.728 -1.003 0.540 780 HE1 HIS 100 HE1 HIS 100 -18.963 1.531 -2.025 781 HE2 HIS 100 HE2 HIS 100 -19.066 -0.119 -0.124 782 H GLN 101 HN GLN 101 -16.200 -0.062 -3.662 783 HA GLN 101 HA GLN 101 -16.920 -2.756 -3.363 784 1HB GLN 101 HB2 GLN 101 -18.550 -2.240 -5.218 785 2HB GLN 101 HB1 GLN 101 -18.623 -1.169 -3.826 786 1HG GLN 101 HG2 GLN 101 -17.089 0.373 -5.176 787 2HG GLN 101 HG1 GLN 101 -17.529 -0.618 -6.559 788 H LEU 102 HN LEU 102 -15.619 -1.084 -6.253 789 HA LEU 102 HA LEU 102 -14.396 -3.621 -7.047 790 1HB LEU 102 HB2 LEU 102 -16.181 -1.946 -8.805 791 2HB LEU 102 HB1 LEU 102 -15.094 -3.170 -9.427 792 HG LEU 102 HG LEU 102 -17.267 -4.126 -9.336 793 1HD1 LEU 102 1HD1 LEU 102 -16.381 -5.409 -6.876 794 2HD1 LEU 102 2HD1 LEU 102 -15.103 -5.236 -8.078 795 3HD1 LEU 102 3HD1 LEU 102 -16.596 -6.076 -8.495 796 1HD2 LEU 102 1HD2 LEU 102 -17.708 -2.418 -7.209 797 2HD2 LEU 102 2HD2 LEU 102 -17.756 -4.023 -6.481 798 3HD2 LEU 102 3HD2 LEU 102 -18.825 -3.634 -7.827 799 H ASN 103 HN ASN 103 -12.614 -2.181 -6.095 800 HA ASN 103 HA ASN 103 -11.641 -0.218 -8.035 801 1HB ASN 103 HB2 ASN 103 -10.087 0.524 -6.366 802 2HB ASN 103 HB1 ASN 103 -11.662 0.382 -5.611 803 1HD2 ASN 103 1HD2 ASN 103 -10.893 -2.732 -5.820 804 2HD2 ASN 103 2HD2 ASN 103 -10.007 -2.938 -4.360 805 H ARG 104 HN ARG 104 -8.967 -0.307 -7.808 806 HA ARG 104 HA ARG 104 -8.332 -2.886 -9.042 807 1HB ARG 104 HB2 ARG 104 -6.952 -0.204 -9.122 808 2HB ARG 104 HB1 ARG 104 -6.228 -1.666 -9.772 809 1HG ARG 104 HG2 ARG 104 -7.270 -0.341 -11.521 810 2HG ARG 104 HG1 ARG 104 -8.075 -1.900 -11.341 811 1HD ARG 104 HD2 ARG 104 -9.875 -0.870 -10.102 812 2HD ARG 104 HD1 ARG 104 -9.046 0.686 -10.131 813 HE ARG 104 HE ARG 104 -9.397 -0.163 -12.768 814 1HH1 ARG 104 HH11 ARG 104 -11.338 0.845 -10.051 815 2HH1 ARG 104 HH12 ARG 104 -12.608 1.490 -11.035 816 1HH2 ARG 104 HH21 ARG 104 -11.065 0.685 -14.067 817 2HH2 ARG 104 HH22 ARG 104 -12.453 1.400 -13.317 818 H GLY 105 HN GLY 105 -8.488 -3.577 -6.621 819 1HA GLY 105 HA2 GLY 105 -6.649 -2.963 -4.685 820 2HA GLY 105 HA1 GLY 105 -7.312 -4.572 -4.914 821 H ILE 106 HN ILE 106 -6.062 -6.163 -5.811 822 HA ILE 106 HA ILE 106 -3.217 -5.565 -5.973 823 HB ILE 106 HB ILE 106 -2.902 -8.011 -5.991 824 1HG1 ILE 106 2HG1 ILE 106 -4.914 -9.432 -5.479 825 2HG1 ILE 106 1HG1 ILE 106 -5.919 -8.047 -5.869 826 1HG2 ILE 106 1HG2 ILE 106 -2.775 -7.402 -3.822 827 2HG2 ILE 106 2HG2 ILE 106 -4.293 -8.290 -3.698 828 3HG2 ILE 106 3HG2 ILE 106 -4.312 -6.539 -3.867 829 1HD1 ILE 106 1HD1 ILE 106 -5.231 -9.980 -7.615 830 2HD1 ILE 106 2HD1 ILE 106 -3.977 -8.784 -7.933 831 3HD1 ILE 106 3HD1 ILE 106 -5.677 -8.337 -8.074 832 H LEU 107 HN LEU 107 -1.873 -6.483 -7.697 833 HA LEU 107 HA LEU 107 -2.346 -5.589 -10.146 834 1HB LEU 107 HB2 LEU 107 -0.847 -8.026 -9.313 835 2HB LEU 107 HB1 LEU 107 -0.943 -7.592 -11.009 836 HG LEU 107 HG LEU 107 -0.039 -5.311 -10.290 837 1HD1 LEU 107 1HD1 LEU 107 0.427 -6.898 -7.790 838 2HD1 LEU 107 2HD1 LEU 107 -0.367 -5.335 -7.967 839 3HD1 LEU 107 3HD1 LEU 107 1.374 -5.470 -8.208 840 1HD2 LEU 107 1HD2 LEU 107 2.302 -6.198 -10.179 841 2HD2 LEU 107 2HD2 LEU 107 1.342 -6.804 -11.529 842 3HD2 LEU 107 3HD2 LEU 107 1.612 -7.821 -10.113 843 HA PRO 108 HA PRO 108 -4.809 -8.900 -12.194 844 1HB PRO 108 HB2 PRO 108 -4.241 -11.523 -11.948 845 2HB PRO 108 HB1 PRO 108 -3.206 -10.396 -12.826 846 1HG PRO 108 HG2 PRO 108 -2.722 -11.752 -10.283 847 2HG PRO 108 HG1 PRO 108 -1.578 -10.908 -11.336 848 1HD PRO 108 HD2 PRO 108 -2.928 -9.946 -8.933 849 2HD PRO 108 HD1 PRO 108 -1.573 -9.237 -9.820 850 H CYS 109 HN CYS 109 -4.546 -11.383 -9.670 851 HA CYS 109 HA CYS 109 -7.072 -12.304 -9.649 852 1HB CYS 109 HB2 CYS 109 -5.250 -11.977 -7.270 853 2HB CYS 109 HB1 CYS 109 -6.697 -12.978 -7.273 854 HG CYS 109 HG CYS 109 -5.235 -15.028 -7.818 855 H LEU 110 HN LEU 110 -8.311 -12.187 -7.269 856 HA LEU 110 HA LEU 110 -10.289 -10.457 -7.334 857 1HB LEU 110 HB2 LEU 110 -9.455 -12.163 -5.478 858 2HB LEU 110 HB1 LEU 110 -8.985 -10.692 -4.665 859 HG LEU 110 HG LEU 110 -11.131 -11.416 -3.859 860 1HD1 LEU 110 1HD1 LEU 110 -10.543 -8.894 -4.647 861 2HD1 LEU 110 2HD1 LEU 110 -12.002 -9.349 -3.768 862 3HD1 LEU 110 3HD1 LEU 110 -12.048 -9.176 -5.522 863 1HD2 LEU 110 1HD2 LEU 110 -12.804 -12.187 -5.140 864 2HD2 LEU 110 2HD2 LEU 110 -11.555 -12.367 -6.373 865 3HD2 LEU 110 3HD2 LEU 110 -12.584 -10.935 -6.361 866 H LEU 111 HN LEU 111 -10.763 -8.300 -6.944 867 HA LEU 111 HA LEU 111 -8.468 -6.599 -6.243 868 1HB LEU 111 HB2 LEU 111 -9.368 -4.867 -7.755 869 2HB LEU 111 HB1 LEU 111 -8.837 -6.317 -8.573 870 HG LEU 111 HG LEU 111 -10.871 -5.406 -9.569 871 1HD1 LEU 111 1HD1 LEU 111 -12.025 -7.809 -8.384 872 2HD1 LEU 111 2HD1 LEU 111 -10.380 -8.022 -8.983 873 3HD1 LEU 111 3HD1 LEU 111 -11.643 -7.436 -10.064 874 1HD2 LEU 111 1HD2 LEU 111 -11.653 -4.658 -7.136 875 2HD2 LEU 111 2HD2 LEU 111 -12.549 -6.171 -7.260 876 3HD2 LEU 111 3HD2 LEU 111 -12.781 -4.908 -8.466 877 H ARG 112 HN ARG 112 -11.805 -7.284 -5.693 878 HA ARG 112 HA ARG 112 -12.580 -4.850 -4.491 879 1HB ARG 112 HB2 ARG 112 -13.595 -7.629 -3.859 880 2HB ARG 112 HB1 ARG 112 -14.421 -6.114 -3.525 881 1HG ARG 112 HG2 ARG 112 -14.576 -5.690 -5.942 882 2HG ARG 112 HG1 ARG 112 -13.802 -7.246 -6.244 883 1HD ARG 112 HD2 ARG 112 -16.225 -7.413 -6.463 884 2HD ARG 112 HD1 ARG 112 -15.638 -8.389 -5.117 885 HE ARG 112 HE ARG 112 -16.367 -5.873 -4.134 886 1HH1 ARG 112 HH11 ARG 112 -17.856 -8.702 -5.532 887 2HH1 ARG 112 HH12 ARG 112 -19.362 -8.470 -4.709 888 1HH2 ARG 112 HH21 ARG 112 -18.345 -5.566 -3.050 889 2HH2 ARG 112 HH22 ARG 112 -19.639 -6.690 -3.300 890 H HIS 113 HN HIS 113 -12.899 -4.424 -2.181 891 HA HIS 113 HA HIS 113 -11.360 -6.073 -0.341 892 1HB HIS 113 HB2 HIS 113 -9.955 -4.255 0.450 893 2HB HIS 113 HB1 HIS 113 -9.696 -4.505 -1.277 894 HD1 HIS 113 HD1 HIS 113 -11.968 -2.282 0.840 895 HD2 HIS 113 HD2 HIS 113 -9.605 -2.157 -2.574 896 HE1 HIS 113 HE1 HIS 113 -12.143 0.076 -0.007 897 HE2 HIS 113 HE2 HIS 113 -10.632 0.154 -2.023 898 H CYS 114 HN CYS 114 -11.399 -5.023 1.919 899 HA CYS 114 HA CYS 114 -13.869 -3.535 2.397 900 1HB CYS 114 HB2 CYS 114 -14.513 -5.874 2.636 901 2HB CYS 114 HB1 CYS 114 -13.173 -6.156 3.746 902 HG CYS 114 HG CYS 114 -15.238 -3.713 4.729 903 H CYS 115 HN CYS 115 -11.762 -5.268 4.661 904 HA CYS 115 HA CYS 115 -10.593 -2.733 5.538 905 1HB CYS 115 HB2 CYS 115 -11.933 -4.704 7.407 906 2HB CYS 115 HB1 CYS 115 -11.053 -3.261 7.898 907 HG CYS 115 HG CYS 115 -12.863 -1.467 6.808 908 H THR 116 HN THR 116 -9.207 -3.651 7.739 909 HA THR 116 HA THR 116 -7.390 -5.630 6.534 910 HB THR 116 HB THR 116 -6.797 -3.510 8.610 911 HG1 THR 116 HG1 THR 116 -5.618 -2.567 6.872 912 1HG2 THR 116 1HG2 THR 116 -4.764 -5.062 7.058 913 2HG2 THR 116 2HG2 THR 116 -5.365 -5.620 8.619 914 3HG2 THR 116 3HG2 THR 116 -4.542 -4.065 8.495 915 H ARG 117 HN ARG 117 -6.582 -7.339 7.818 916 HA ARG 117 HA ARG 117 -8.135 -7.797 10.280 917 1HB ARG 117 HB2 ARG 117 -8.571 -9.442 8.531 918 2HB ARG 117 HB1 ARG 117 -6.856 -9.795 8.408 919 1HG ARG 117 HG2 ARG 117 -8.012 -11.519 9.663 920 2HG ARG 117 HG1 ARG 117 -6.863 -10.660 10.691 921 1HD ARG 117 HD2 ARG 117 -8.687 -9.312 11.604 922 2HD ARG 117 HD1 ARG 117 -9.836 -10.161 10.569 923 HE ARG 117 HE ARG 117 -8.457 -12.053 12.103 924 1HH1 ARG 117 HH11 ARG 117 -10.773 -9.476 12.524 925 2HH1 ARG 117 HH12 ARG 117 -11.504 -10.193 13.920 926 1HH2 ARG 117 HH21 ARG 117 -9.418 -12.997 13.939 927 2HH2 ARG 117 HH22 ARG 117 -10.735 -12.191 14.724 928 H VAL 118 HN VAL 118 -6.490 -6.412 11.321 929 HA VAL 118 HA VAL 118 -4.392 -8.077 12.432 930 HB VAL 118 HB VAL 118 -2.736 -6.124 12.175 931 1HG1 VAL 118 1HG1 VAL 118 -3.144 -7.307 9.506 932 2HG1 VAL 118 2HG1 VAL 118 -3.047 -8.449 10.846 933 3HG1 VAL 118 3HG1 VAL 118 -1.723 -7.322 10.550 934 1HG2 VAL 118 1HG2 VAL 118 -3.410 -5.225 9.663 935 2HG2 VAL 118 2HG2 VAL 118 -3.563 -4.312 11.163 936 3HG2 VAL 118 3HG2 VAL 118 -4.949 -5.193 10.524 937 H ALA 119 HN ALA 119 -5.124 -4.578 12.416 938 HA ALA 119 HA ALA 119 -4.835 -4.456 15.276 939 1HB ALA 119 HB1 ALA 119 -5.896 -2.235 13.560 940 2HB ALA 119 HB2 ALA 119 -4.182 -2.650 13.572 941 3HB ALA 119 HB3 ALA 119 -4.975 -2.134 15.061 942 H LEU 120 HN LEU 120 -6.788 -2.581 15.961 943 HA LEU 120 HA LEU 120 -8.928 -4.196 16.707 944 1HB LEU 120 HB2 LEU 120 -8.863 -1.190 16.429 945 2HB LEU 120 HB1 LEU 120 -10.077 -2.098 17.310 946 HG LEU 120 HG LEU 120 -7.142 -1.933 17.999 947 1HD1 LEU 120 1HD1 LEU 120 -8.612 0.088 18.421 948 2HD1 LEU 120 2HD1 LEU 120 -7.761 -0.575 19.816 949 3HD1 LEU 120 3HD1 LEU 120 -9.478 -0.913 19.587 950 1HD2 LEU 120 1HD2 LEU 120 -9.417 -3.426 19.291 951 2HD2 LEU 120 2HD2 LEU 120 -7.864 -3.125 20.072 952 3HD2 LEU 120 3HD2 LEU 120 -7.939 -4.102 18.605 953 HA PRO1135 HA PRO1135 14.209 -2.914 -9.237 954 1HB PRO1135 HB2 PRO1135 14.884 -3.916 -11.960 955 2HB PRO1135 HB1 PRO1135 15.322 -2.392 -11.182 956 1HG PRO1135 HG2 PRO1135 17.113 -4.345 -11.453 957 2HG PRO1135 HG1 PRO1135 17.063 -3.348 -9.987 958 1HD PRO1135 HD2 PRO1135 16.121 -6.148 -10.413 959 2HD PRO1135 HD1 PRO1135 16.858 -5.409 -8.977 960 H GLN1136 HN GLN1136 12.517 -5.399 -9.076 961 HA GLN1136 HA GLN1136 10.322 -4.372 -10.636 962 1HB GLN1136 HB2 GLN1136 11.468 -7.106 -11.179 963 2HB GLN1136 HB1 GLN1136 9.831 -6.657 -11.629 964 1HG GLN1136 HG2 GLN1136 12.342 -5.291 -12.570 965 2HG GLN1136 HG1 GLN1136 11.425 -6.483 -13.482 966 HA PRO1137 HA PRO1137 8.540 -7.751 -7.703 967 1HB PRO1137 HB2 PRO1137 10.282 -9.194 -6.192 968 2HB PRO1137 HB1 PRO1137 9.727 -9.714 -7.788 969 1HG PRO1137 HG2 PRO1137 12.274 -8.329 -7.030 970 2HG PRO1137 HG1 PRO1137 12.034 -9.705 -8.123 971 1HD PRO1137 HD2 PRO1137 12.372 -7.210 -9.054 972 2HD PRO1137 HD1 PRO1137 11.287 -8.366 -9.852 973 H GLU1138 HN GLU1138 11.359 -5.911 -6.790 974 HA GLU1138 HA GLU1138 11.193 -5.765 -4.078 975 1HB GLU1138 HB2 GLU1138 11.859 -3.242 -4.454 976 2HB GLU1138 HB1 GLU1138 12.968 -4.555 -4.816 977 1HG GLU1138 HG2 GLU1138 12.281 -4.433 -7.192 978 2HG GLU1138 HG1 GLU1138 11.276 -3.044 -6.798 979 2HN PTR1139 HN PTR1139 9.939 -2.842 -5.687 980 2HN PTR1139 HN PTR1139 9.939 -2.842 -5.687 981 HA PTR1139 HA PTR1139 7.830 -2.871 -3.702 982 HA PTR1139 HA PTR1139 7.830 -2.871 -3.702 983 1HB PTR1139 HB1 PTR1139 7.572 -0.449 -4.947 984 1HB PTR1139 HB1 PTR1139 7.572 -0.449 -4.947 985 2HB PTR1139 HB2 PTR1139 9.299 -0.761 -5.053 986 2HB PTR1139 HB2 PTR1139 9.299 -0.761 -5.053 987 HD1 PTR1139 HD1 PTR1139 6.485 -0.254 -2.711 988 HD1 PTR1139 HD1 PTR1139 6.485 -0.254 -2.711 989 HD2 PTR1139 HD2 PTR1139 10.693 -0.670 -3.105 990 HD2 PTR1139 HD2 PTR1139 10.693 -0.670 -3.105 991 HE1 PTR1139 HE1 PTR1139 6.773 0.531 -0.407 992 HE1 PTR1139 HE1 PTR1139 6.773 0.531 -0.407 993 HE2 PTR1139 HE2 PTR1139 11.001 0.131 -0.785 994 HE2 PTR1139 HE2 PTR1139 11.001 0.131 -0.785 995 H VAL1140 HN VAL1140 7.748 -1.443 -6.961 996 HA VAL1140 HA VAL1140 5.864 -3.281 -7.966 997 HB VAL1140 HB VAL1140 3.923 -1.430 -7.946 998 1HG1 VAL1140 1HG1 VAL1140 2.824 -3.169 -7.126 999 2HG1 VAL1140 2HG1 VAL1140 3.527 -2.867 -5.536 1000 3HG1 VAL1140 3HG1 VAL1140 4.356 -3.923 -6.678 1001 1HG2 VAL1140 1HG2 VAL1140 5.458 -0.081 -6.389 1002 2HG2 VAL1140 2HG2 VAL1140 4.877 -1.183 -5.145 1003 3HG2 VAL1140 3HG2 VAL1140 3.733 -0.178 -6.046 1004 H ASN1141 HN ASN1141 5.385 0.254 -8.219 1005 HA ASN1141 HA ASN1141 5.234 0.495 -10.887 1006 1HB ASN1141 HB2 ASN1141 7.188 2.181 -9.271 1007 2HB ASN1141 HB1 ASN1141 6.449 2.627 -10.794 1008 1HD2 ASN1141 1HD2 ASN1141 5.610 1.738 -7.464 1009 2HD2 ASN1141 2HD2 ASN1141 4.287 2.825 -7.308 1010 H GLN1142 HN GLN1142 7.977 -0.184 -8.856 1011 HA GLN1142 HA GLN1142 9.176 -2.078 -9.282 1012 1HB GLN1142 HB2 GLN1142 10.339 -2.552 -11.327 1013 2HB GLN1142 HB1 GLN1142 8.604 -2.487 -11.508 1014 1HG GLN1142 HG2 GLN1142 10.450 -1.354 -13.191 1015 2HG GLN1142 HG1 GLN1142 8.742 -0.958 -13.139 1016 HA PRO1143 HA PRO1143 12.861 0.625 -9.078 1017 1HB PRO1143 HB2 PRO1143 12.696 3.297 -9.409 1018 2HB PRO1143 HB1 PRO1143 12.705 2.203 -10.797 1019 1HG PRO1143 HG2 PRO1143 10.507 3.817 -9.742 1020 2HG PRO1143 HG1 PRO1143 10.624 2.965 -11.289 1021 1HD PRO1143 HD2 PRO1143 9.389 2.093 -8.767 1022 2HD PRO1143 HD1 PRO1143 9.122 1.472 -10.394 1023 H ASP1144 HN ASP1144 10.441 0.468 -7.289 1024 HA ASP1144 HA ASP1144 9.794 0.926 -5.206 1025 1HB ASP1144 HB2 ASP1144 12.751 1.460 -4.787 1026 2HB ASP1144 HB1 ASP1144 11.586 1.029 -3.538 Start of MODEL 5 1 1H GLY 1 HT1 GLY 1 20.898 2.554 -3.014 2 2H GLY 1 HT2 GLY 1 21.766 1.119 -3.235 3 3H GLY 1 HT3 GLY 1 22.537 2.483 -2.599 4 1HA GLY 1 HA1 GLY 1 20.893 0.506 -1.285 5 2HA GLY 1 HA2 GLY 1 22.165 1.524 -0.625 6 H SER 2 HN SER 2 19.055 2.230 -2.216 7 HA SER 2 HA SER 2 18.502 4.412 -0.494 8 1HB SER 2 HB2 SER 2 17.576 4.332 -2.745 9 2HB SER 2 HB1 SER 2 16.666 2.877 -2.347 10 HG SER 2 HG SER 2 16.299 5.504 -1.374 11 HA PRO 3 HA PRO 3 15.333 1.432 1.624 12 1HB PRO 3 HB2 PRO 3 15.681 -1.233 1.251 13 2HB PRO 3 HB1 PRO 3 14.646 -0.245 0.215 14 1HG PRO 3 HG2 PRO 3 17.454 -1.177 -0.247 15 2HG PRO 3 HG1 PRO 3 16.086 -1.142 -1.376 16 1HD PRO 3 HD2 PRO 3 18.024 0.738 -1.390 17 2HD PRO 3 HD1 PRO 3 16.340 1.107 -1.810 18 H ALA 4 HN ALA 4 15.631 0.888 3.727 19 HA ALA 4 HA ALA 4 18.046 -0.494 4.570 20 1HB ALA 4 HB1 ALA 4 18.555 1.989 4.447 21 2HB ALA 4 HB2 ALA 4 18.876 1.195 5.989 22 3HB ALA 4 HB3 ALA 4 17.428 2.184 5.790 23 H SER 5 HN SER 5 17.892 -0.011 7.284 24 HA SER 5 HA SER 5 15.433 -1.439 7.942 25 1HB SER 5 HB2 SER 5 17.914 -0.909 9.595 26 2HB SER 5 HB1 SER 5 16.540 -1.885 10.113 27 HG SER 5 HG SER 5 18.067 -2.418 7.784 28 H GLY 6 HN GLY 6 17.302 0.946 9.816 29 1HA GLY 6 HA2 GLY 6 16.376 3.166 10.249 30 2HA GLY 6 HA1 GLY 6 14.783 2.425 10.246 31 H THR 7 HN THR 7 14.660 3.620 12.328 32 HA THR 7 HA THR 7 15.745 1.957 14.505 33 HB THR 7 HB THR 7 15.865 3.996 15.899 34 HG1 THR 7 HG1 THR 7 14.306 5.197 14.655 35 2HG2 THR 7 2HG2 THR 7 17.911 3.367 14.822 36 2HG2 THR 7 2HG2 THR 7 17.750 5.123 14.776 37 3HG2 THR 7 3HG2 THR 7 17.418 4.168 13.330 38 H SER 8 HN SER 8 14.454 1.885 16.445 39 HA SER 8 HA SER 8 11.742 1.405 15.973 40 1HB SER 8 HB2 SER 8 11.533 1.245 18.431 41 2HB SER 8 HB1 SER 8 12.946 0.375 17.835 42 HG SER 8 HG SER 8 13.961 1.531 19.269 43 H LEU 9 HN LEU 9 10.496 3.018 15.189 44 HA LEU 9 HA LEU 9 9.895 5.223 16.981 45 1HB LEU 9 HB2 LEU 9 11.735 6.021 15.493 46 2HB LEU 9 HB1 LEU 9 10.695 5.732 14.113 47 HG LEU 9 HG LEU 9 10.070 7.685 16.330 48 1HD1 LEU 9 1HD1 LEU 9 12.067 8.016 14.561 49 2HD1 LEU 9 2HD1 LEU 9 11.088 9.341 15.188 50 3HD1 LEU 9 3HD1 LEU 9 10.713 8.635 13.616 51 1HD2 LEU 9 1HD2 LEU 9 8.669 6.808 13.860 52 2HD2 LEU 9 2HD2 LEU 9 8.579 8.511 14.309 53 3HD2 LEU 9 3HD2 LEU 9 8.014 7.273 15.430 54 H SER 10 HN SER 10 7.763 5.462 17.077 55 HA SER 10 HA SER 10 6.150 4.642 14.752 56 1HB SER 10 HB2 SER 10 5.938 2.975 16.533 57 2HB SER 10 HB1 SER 10 5.490 4.238 17.680 58 HG SER 10 HG SER 10 3.549 3.670 17.045 59 H ALA 11 HN ALA 11 4.161 5.761 14.444 60 HA ALA 11 HA ALA 11 4.218 8.478 15.555 61 1HB ALA 11 HB1 ALA 11 4.148 7.766 12.976 62 2HB ALA 11 HB2 ALA 11 3.429 9.258 13.581 63 3HB ALA 11 HB3 ALA 11 2.416 7.843 13.299 64 H ALA 12 HN ALA 12 1.871 9.475 15.528 65 HA ALA 12 HA ALA 12 -0.151 7.603 16.456 66 1HB ALA 12 HB1 ALA 12 0.287 9.865 18.307 67 2HB ALA 12 HB2 ALA 12 1.464 8.554 18.364 68 3HB ALA 12 HB3 ALA 12 -0.246 8.216 18.634 69 H ILE 13 HN ILE 13 0.247 9.566 14.246 70 HA ILE 13 HA ILE 13 -1.583 11.723 14.787 71 HB ILE 13 HB ILE 13 0.302 12.009 13.224 72 1HG1 ILE 13 2HG1 ILE 13 -2.421 12.300 11.932 73 2HG1 ILE 13 1HG1 ILE 13 -1.675 13.454 13.032 74 2HG2 ILE 13 2HG2 ILE 13 -1.048 10.572 11.038 75 2HG2 ILE 13 2HG2 ILE 13 -0.301 9.562 12.274 76 3HG2 ILE 13 3HG2 ILE 13 0.669 10.744 11.397 77 1HD1 ILE 13 1HD1 ILE 13 -0.612 14.429 11.359 78 2HD1 ILE 13 2HD1 ILE 13 -1.498 13.383 10.249 79 3HD1 ILE 13 3HD1 ILE 13 0.088 12.894 10.843 80 H HIS 14 HN HIS 14 -3.102 9.770 15.480 81 HA HIS 14 HA HIS 14 -5.032 9.487 13.298 82 1HB HIS 14 HB2 HIS 14 -4.326 7.151 15.078 83 2HB HIS 14 HB1 HIS 14 -5.348 7.145 13.645 84 HD1 HIS 14 HD1 HIS 14 -1.726 8.039 14.404 85 HD2 HIS 14 HD2 HIS 14 -4.022 6.127 11.520 86 HE1 HIS 14 HE1 HIS 14 -0.093 7.224 12.681 87 HE2 HIS 14 HE2 HIS 14 -1.494 5.980 10.995 88 H ARG 15 HN ARG 15 -7.144 9.663 13.958 89 HA ARG 15 HA ARG 15 -7.678 9.578 16.832 90 1HB ARG 15 HB2 ARG 15 -9.073 11.632 16.632 91 2HB ARG 15 HB1 ARG 15 -7.351 11.910 16.382 92 1HG ARG 15 HG2 ARG 15 -7.647 12.037 14.005 93 2HG ARG 15 HG1 ARG 15 -9.327 11.525 14.137 94 1HD ARG 15 HD2 ARG 15 -8.132 14.146 15.064 95 2HD ARG 15 HD1 ARG 15 -9.279 13.889 13.751 96 HE ARG 15 HE ARG 15 -10.452 12.909 16.073 97 1HH1 ARG 15 HH11 ARG 15 -9.378 15.969 14.782 98 2HH1 ARG 15 HH12 ARG 15 -10.552 16.892 15.656 99 1HH2 ARG 15 HH21 ARG 15 -11.997 14.124 17.225 100 2HH2 ARG 15 HH22 ARG 15 -12.039 15.846 17.045 101 H THR 16 HN THR 16 -8.348 8.161 14.175 102 HA THR 16 HA THR 16 -11.105 7.571 14.930 103 HB THR 16 HB THR 16 -11.883 7.679 12.618 104 HG1 THR 16 HG1 THR 16 -10.546 7.836 11.011 105 2HG2 THR 16 2HG2 THR 16 -10.652 10.284 12.526 106 2HG2 THR 16 2HG2 THR 16 -11.280 9.912 14.131 107 3HG2 THR 16 3HG2 THR 16 -12.347 9.838 12.728 108 H GLN 17 HN GLN 17 -11.261 5.951 12.349 109 HA GLN 17 HA GLN 17 -9.799 3.641 13.373 110 1HB GLN 17 HB2 GLN 17 -11.175 2.395 11.645 111 2HB GLN 17 HB1 GLN 17 -12.079 3.133 12.959 112 1HG GLN 17 HG2 GLN 17 -13.205 3.435 10.832 113 2HG GLN 17 HG1 GLN 17 -12.707 4.983 11.510 114 H LEU 18 HN LEU 18 -8.443 5.833 12.070 115 HA LEU 18 HA LEU 18 -7.799 5.456 9.411 116 1HB LEU 18 HB2 LEU 18 -5.901 6.331 11.584 117 2HB LEU 18 HB1 LEU 18 -5.776 6.698 9.875 118 HG LEU 18 HG LEU 18 -7.883 7.718 11.780 119 1HD1 LEU 18 1HD1 LEU 18 -6.139 9.546 10.269 120 2HD1 LEU 18 2HD1 LEU 18 -5.355 8.605 11.539 121 3HD1 LEU 18 3HD1 LEU 18 -6.726 9.643 11.929 122 1HD2 LEU 18 1HD2 LEU 18 -8.772 7.291 9.515 123 2HD2 LEU 18 2HD2 LEU 18 -7.520 8.345 8.855 124 3HD2 LEU 18 3HD2 LEU 18 -8.748 9.003 9.938 125 H TRP 19 HN TRP 19 -5.964 4.508 8.390 126 HA TRP 19 HA TRP 19 -4.573 2.409 9.872 127 1HB TRP 19 HB2 TRP 19 -4.990 0.769 8.076 128 2HB TRP 19 HB1 TRP 19 -6.479 1.275 8.862 129 HD1 TRP 19 HD1 TRP 19 -4.906 0.958 5.510 130 HE1 TRP 19 HE1 TRP 19 -6.445 1.961 3.709 131 HE3 TRP 19 HE3 TRP 19 -8.215 3.405 8.541 132 HZ2 TRP 19 HZ2 TRP 19 -8.751 3.583 3.588 133 HZ3 TRP 19 HZ3 TRP 19 -10.058 4.660 7.502 134 HH2 TRP 19 HH2 TRP 19 -10.320 4.748 5.076 135 H PHE 20 HN PHE 20 -3.226 4.499 9.497 136 HA PHE 20 HA PHE 20 -1.608 4.116 7.067 137 1HB PHE 20 HB2 PHE 20 -2.691 6.181 6.735 138 2HB PHE 20 HB1 PHE 20 -2.526 6.640 8.424 139 HD1 PHE 20 HD1 PHE 20 0.090 5.387 6.094 140 HD2 PHE 20 HD2 PHE 20 -1.425 8.665 8.343 141 HE1 PHE 20 HE1 PHE 20 2.107 6.689 5.549 142 HE2 PHE 20 HE2 PHE 20 0.586 9.972 7.803 143 HZ PHE 20 HZ PHE 20 2.353 8.986 6.406 144 H HIS 21 HN HIS 21 0.517 3.803 7.350 145 HA HIS 21 HA HIS 21 1.777 4.558 9.899 146 1HB HIS 21 HB2 HIS 21 0.969 2.123 9.887 147 2HB HIS 21 HB1 HIS 21 2.206 1.833 8.671 148 HD1 HIS 21 HD1 HIS 21 3.113 0.138 10.561 149 HD2 HIS 21 HD2 HIS 21 3.449 4.190 11.416 150 HE1 HIS 21 HE1 HIS 21 4.762 0.291 12.452 151 HE2 HIS 21 HE2 HIS 21 4.881 2.745 13.010 152 H GLY 22 HN GLY 22 4.164 4.717 9.749 153 1HA GLY 22 HA2 GLY 22 5.005 5.264 7.011 154 2HA GLY 22 HA1 GLY 22 5.761 5.883 8.466 155 H ARG 23 HN ARG 23 7.364 4.770 9.413 156 HA ARG 23 HA ARG 23 8.788 2.911 7.866 157 1HB ARG 23 HB2 ARG 23 9.636 4.536 9.664 158 2HB ARG 23 HB1 ARG 23 9.222 3.273 10.809 159 1HG ARG 23 HG2 ARG 23 10.697 1.717 9.627 160 2HG ARG 23 HG1 ARG 23 11.142 3.002 8.504 161 1HD ARG 23 HD2 ARG 23 12.874 2.904 10.105 162 2HD ARG 23 HD1 ARG 23 11.909 4.321 10.520 163 HE ARG 23 HE ARG 23 11.505 3.347 12.533 164 1HH1 ARG 23 HH11 ARG 23 12.289 0.824 10.249 165 2HH1 ARG 23 HH12 ARG 23 12.168 -0.445 11.420 166 1HH2 ARG 23 HH21 ARG 23 11.352 1.673 14.073 167 2HH2 ARG 23 HH22 ARG 23 11.639 0.035 13.589 168 H ILE 24 HN ILE 24 7.824 1.027 7.438 169 HA ILE 24 HA ILE 24 7.631 -0.841 9.665 170 HB ILE 24 HB ILE 24 5.317 -0.198 9.354 171 1HG1 ILE 24 2HG1 ILE 24 5.889 -2.908 8.136 172 2HG1 ILE 24 1HG1 ILE 24 5.783 -2.553 9.857 173 2HG2 ILE 24 2HG2 ILE 24 5.374 -1.175 6.531 174 2HG2 ILE 24 2HG2 ILE 24 5.753 0.502 6.924 175 3HG2 ILE 24 3HG2 ILE 24 4.176 -0.167 7.341 176 1HD1 ILE 24 1HD1 ILE 24 3.639 -2.837 7.838 177 2HD1 ILE 24 2HD1 ILE 24 3.389 -1.677 9.142 178 3HD1 ILE 24 3HD1 ILE 24 3.699 -3.372 9.517 179 H SER 25 HN SER 25 9.235 -2.133 9.150 180 HA SER 25 HA SER 25 10.616 -2.574 6.939 181 1HB SER 25 HB2 SER 25 11.010 -4.928 7.704 182 2HB SER 25 HB1 SER 25 11.186 -3.714 8.972 183 HG SER 25 HG SER 25 9.374 -4.400 9.909 184 H ARG 26 HN ARG 26 9.599 -2.451 4.990 185 HA ARG 26 HA ARG 26 7.318 -3.709 4.121 186 1HB ARG 26 HB2 ARG 26 8.088 -2.192 2.576 187 2HB ARG 26 HB1 ARG 26 9.758 -2.661 2.784 188 1HG ARG 26 HG2 ARG 26 8.021 -4.675 1.529 189 2HG ARG 26 HG1 ARG 26 8.284 -3.204 0.599 190 1HD ARG 26 HD2 ARG 26 10.542 -4.804 1.784 191 2HD ARG 26 HD1 ARG 26 9.880 -5.145 0.191 192 HE ARG 26 HE ARG 26 10.853 -3.202 -0.621 193 1HH1 ARG 26 HH11 ARG 26 11.414 -3.499 2.820 194 2HH1 ARG 26 HH12 ARG 26 12.473 -2.132 2.886 195 1HH2 ARG 26 HH21 ARG 26 12.251 -1.414 -0.522 196 2HH2 ARG 26 HH22 ARG 26 12.950 -0.953 0.993 197 H GLU 27 HN GLU 27 10.639 -4.967 3.891 198 HA GLU 27 HA GLU 27 10.113 -7.373 2.642 199 1HB GLU 27 HB2 GLU 27 12.177 -6.814 4.778 200 2HB GLU 27 HB1 GLU 27 12.191 -8.196 3.690 201 1HG GLU 27 HG2 GLU 27 12.418 -6.694 1.779 202 2HG GLU 27 HG1 GLU 27 12.401 -5.308 2.868 203 H GLU 28 HN GLU 28 10.127 -6.713 6.145 204 HA GLU 28 HA GLU 28 9.302 -9.399 6.766 205 1HB GLU 28 HB2 GLU 28 9.474 -6.954 8.529 206 2HB GLU 28 HB1 GLU 28 9.210 -8.597 9.092 207 1HG GLU 28 HG2 GLU 28 11.662 -7.595 7.662 208 2HG GLU 28 HG1 GLU 28 11.522 -7.905 9.393 209 H SER 29 HN SER 29 7.718 -6.365 6.174 210 HA SER 29 HA SER 29 5.327 -6.655 7.530 211 1HB SER 29 HB2 SER 29 5.767 -5.501 4.765 212 2HB SER 29 HB1 SER 29 4.321 -5.256 5.744 213 HG SER 29 HG SER 29 5.629 -3.520 6.116 214 H GLN 30 HN GLN 30 6.300 -8.058 4.440 215 HA GLN 30 HA GLN 30 3.821 -9.169 3.747 216 1HB GLN 30 HB2 GLN 30 6.586 -10.201 3.083 217 2HB GLN 30 HB1 GLN 30 5.098 -10.644 2.256 218 1HG GLN 30 HG2 GLN 30 4.812 -8.339 1.521 219 2HG GLN 30 HG1 GLN 30 6.300 -7.888 2.353 220 H ARG 31 HN ARG 31 6.153 -10.112 6.111 221 HA ARG 31 HA ARG 31 5.307 -12.848 6.301 222 1HB ARG 31 HB2 ARG 31 7.575 -12.190 6.942 223 2HB ARG 31 HB1 ARG 31 6.930 -11.152 8.205 224 1HG ARG 31 HG2 ARG 31 7.747 -13.175 9.191 225 2HG ARG 31 HG1 ARG 31 5.987 -13.150 9.314 226 1HD ARG 31 HD2 ARG 31 7.470 -14.576 7.115 227 2HD ARG 31 HD1 ARG 31 7.020 -15.351 8.633 228 HE ARG 31 HE ARG 31 4.718 -14.212 7.573 229 1HH1 ARG 31 HH11 ARG 31 7.008 -16.706 6.731 230 2HH1 ARG 31 HH12 ARG 31 5.847 -17.652 5.862 231 1HH2 ARG 31 HH21 ARG 31 3.189 -15.454 6.430 232 2HH2 ARG 31 HH22 ARG 31 3.679 -16.941 5.689 233 H LEU 32 HN LEU 32 4.593 -9.844 8.009 234 HA LEU 32 HA LEU 32 2.957 -11.123 9.992 235 1HB LEU 32 HB2 LEU 32 3.268 -8.223 9.220 236 2HB LEU 32 HB1 LEU 32 2.278 -8.780 10.555 237 HG LEU 32 HG LEU 32 4.308 -9.728 11.624 238 1HD1 LEU 32 1HD1 LEU 32 5.764 -10.155 9.830 239 2HD1 LEU 32 2HD1 LEU 32 6.505 -8.832 10.730 240 3HD1 LEU 32 3HD1 LEU 32 5.639 -8.502 9.229 241 1HD2 LEU 32 1HD2 LEU 32 5.310 -7.539 12.230 242 2HD2 LEU 32 2HD2 LEU 32 3.549 -7.559 12.319 243 3HD2 LEU 32 3HD2 LEU 32 4.354 -6.791 10.950 244 H ILE 33 HN ILE 33 2.220 -8.897 7.301 245 HA ILE 33 HA ILE 33 -0.595 -9.375 7.476 246 HB ILE 33 HB ILE 33 1.063 -8.055 5.320 247 1HG1 ILE 33 2HG1 ILE 33 0.012 -5.981 6.224 248 2HG1 ILE 33 1HG1 ILE 33 -0.719 -6.946 7.500 249 2HG2 ILE 33 2HG2 ILE 33 -1.832 -8.682 5.448 250 2HG2 ILE 33 2HG2 ILE 33 -0.759 -8.554 4.055 251 3HG2 ILE 33 3HG2 ILE 33 -1.371 -7.094 4.833 252 1HD1 ILE 33 1HD1 ILE 33 1.408 -5.659 8.043 253 2HD1 ILE 33 2HD1 ILE 33 2.245 -6.883 7.087 254 3HD1 ILE 33 3HD1 ILE 33 1.335 -7.355 8.522 255 H GLY 34 HN GLY 34 1.902 -11.276 6.301 256 1HA GLY 34 HA2 GLY 34 0.269 -12.450 4.171 257 2HA GLY 34 HA1 GLY 34 1.963 -12.800 4.482 258 H GLN 35 HN GLN 35 -0.192 -12.664 7.123 259 HA GLN 35 HA GLN 35 -0.153 -15.588 7.345 260 1HB GLN 35 HB2 GLN 35 -0.299 -15.354 9.711 261 2HB GLN 35 HB1 GLN 35 0.935 -14.215 9.193 262 1HG GLN 35 HG2 GLN 35 -0.294 -13.010 10.738 263 2HG GLN 35 HG1 GLN 35 -0.961 -12.482 9.194 264 H GLN 36 HN GLN 36 -2.022 -12.851 6.640 265 HA GLN 36 HA GLN 36 -4.514 -13.724 7.698 266 1HB GLN 36 HB2 GLN 36 -3.544 -11.494 6.081 267 2HB GLN 36 HB1 GLN 36 -5.158 -12.030 5.626 268 1HG GLN 36 HG2 GLN 36 -6.059 -11.115 7.425 269 2HG GLN 36 HG1 GLN 36 -4.881 -11.883 8.486 270 H GLY 37 HN GLY 37 -6.076 -14.982 6.783 271 1HA GLY 37 HA2 GLY 37 -5.365 -16.296 4.254 272 2HA GLY 37 HA1 GLY 37 -6.494 -16.918 5.453 273 H LEU 38 HN LEU 38 -6.757 -13.582 4.657 274 HA LEU 38 HA LEU 38 -9.383 -14.017 3.564 275 1HB LEU 38 HB2 LEU 38 -7.804 -11.481 3.978 276 2HB LEU 38 HB1 LEU 38 -9.469 -11.543 3.431 277 HG LEU 38 HG LEU 38 -9.415 -11.000 5.779 278 1HD1 LEU 38 1HD1 LEU 38 -11.255 -12.392 4.992 279 2HD1 LEU 38 2HD1 LEU 38 -10.832 -12.776 6.661 280 3HD1 LEU 38 3HD1 LEU 38 -10.319 -13.843 5.353 281 1HD2 LEU 38 1HD2 LEU 38 -8.322 -12.223 7.426 282 2HD2 LEU 38 2HD2 LEU 38 -7.167 -12.219 6.094 283 3HD2 LEU 38 3HD2 LEU 38 -8.156 -13.646 6.399 284 H VAL 39 HN VAL 39 -9.980 -12.538 1.623 285 HA VAL 39 HA VAL 39 -8.471 -13.481 -0.623 286 HB VAL 39 HB VAL 39 -10.224 -12.408 -1.977 287 1HG1 VAL 39 1HG1 VAL 39 -12.076 -13.813 -1.254 288 2HG1 VAL 39 2HG1 VAL 39 -11.317 -14.027 0.324 289 3HG1 VAL 39 3HG1 VAL 39 -10.549 -14.686 -1.121 290 2HG2 VAL 39 2HG2 VAL 39 -10.708 -11.039 0.552 291 2HG2 VAL 39 2HG2 VAL 39 -12.181 -11.697 -0.166 292 3HG2 VAL 39 3HG2 VAL 39 -11.172 -10.585 -1.090 293 H ASP 40 HN ASP 40 -8.472 -11.787 -2.536 294 HA ASP 40 HA ASP 40 -6.367 -9.987 -1.969 295 1HB ASP 40 HB2 ASP 40 -8.231 -9.937 -4.349 296 2HB ASP 40 HB1 ASP 40 -6.615 -9.270 -4.262 297 H GLY 41 HN GLY 41 -8.045 -9.330 -0.088 298 1HA GLY 41 HA2 GLY 41 -9.047 -6.699 -1.006 299 2HA GLY 41 HA1 GLY 41 -10.131 -7.749 -0.113 300 H LEU 42 HN LEU 42 -7.238 -8.342 1.249 301 HA LEU 42 HA LEU 42 -7.796 -6.345 3.306 302 1HB LEU 42 HB2 LEU 42 -6.286 -8.946 3.356 303 2HB LEU 42 HB1 LEU 42 -6.203 -7.796 4.675 304 HG LEU 42 HG LEU 42 -7.832 -9.686 4.994 305 1HD1 LEU 42 1HD1 LEU 42 -7.963 -7.130 5.835 306 2HD1 LEU 42 2HD1 LEU 42 -9.117 -8.377 6.307 307 3HD1 LEU 42 3HD1 LEU 42 -9.509 -7.263 4.997 308 1HD2 LEU 42 1HD2 LEU 42 -9.458 -8.216 2.930 309 2HD2 LEU 42 2HD2 LEU 42 -9.916 -9.669 3.814 310 3HD2 LEU 42 3HD2 LEU 42 -8.608 -9.732 2.633 311 H PHE 43 HN PHE 43 -6.884 -4.552 2.599 312 HA PHE 43 HA PHE 43 -3.980 -4.631 2.143 313 1HB PHE 43 HB2 PHE 43 -4.211 -2.712 0.650 314 2HB PHE 43 HB1 PHE 43 -5.168 -4.075 0.092 315 HD1 PHE 43 HD1 PHE 43 -5.936 -1.934 -1.274 316 HD2 PHE 43 HD2 PHE 43 -6.923 -2.705 2.792 317 HE1 PHE 43 HE1 PHE 43 -7.891 -0.462 -1.467 318 HE2 PHE 43 HE2 PHE 43 -8.875 -1.234 2.606 319 HZ PHE 43 HZ PHE 43 -9.366 -0.109 0.472 320 H LEU 44 HN LEU 44 -2.846 -2.542 2.568 321 HA LEU 44 HA LEU 44 -4.046 -0.941 4.710 322 1HB LEU 44 HB2 LEU 44 -2.770 -2.724 5.813 323 2HB LEU 44 HB1 LEU 44 -1.348 -2.291 4.886 324 HG LEU 44 HG LEU 44 -1.330 -0.071 6.007 325 1HD1 LEU 44 1HD1 LEU 44 -3.426 0.446 6.738 326 2HD1 LEU 44 2HD1 LEU 44 -2.736 -0.184 8.234 327 3HD1 LEU 44 3HD1 LEU 44 -3.780 -1.205 7.247 328 1HD2 LEU 44 1HD2 LEU 44 -0.198 -0.837 7.854 329 2HD2 LEU 44 2HD2 LEU 44 -0.201 -2.280 6.839 330 3HD2 LEU 44 3HD2 LEU 44 -1.356 -2.131 8.164 331 H VAL 45 HN VAL 45 -3.130 1.179 4.908 332 HA VAL 45 HA VAL 45 -1.533 1.931 2.554 333 HB VAL 45 HB VAL 45 -3.274 3.699 4.279 334 1HG1 VAL 45 1HG1 VAL 45 -1.312 4.854 3.301 335 2HG1 VAL 45 2HG1 VAL 45 -2.843 5.434 2.646 336 3HG1 VAL 45 3HG1 VAL 45 -1.838 4.337 1.698 337 2HG2 VAL 45 2HG2 VAL 45 -3.668 2.598 1.499 338 2HG2 VAL 45 2HG2 VAL 45 -4.701 3.806 2.264 339 3HG2 VAL 45 3HG2 VAL 45 -4.598 2.179 2.938 340 H ARG 46 HN ARG 46 0.369 1.176 3.644 341 HA ARG 46 HA ARG 46 1.356 2.909 5.809 342 1HB ARG 46 HB2 ARG 46 3.018 1.132 6.106 343 2HB ARG 46 HB1 ARG 46 1.387 0.455 6.140 344 1HG ARG 46 HG2 ARG 46 1.586 -0.190 3.807 345 2HG ARG 46 HG1 ARG 46 3.204 0.506 3.742 346 1HD ARG 46 HD2 ARG 46 3.305 -1.191 5.892 347 2HD ARG 46 HD1 ARG 46 2.297 -2.042 4.721 348 HE ARG 46 HE ARG 46 4.207 -2.467 3.578 349 1HH1 ARG 46 HH11 ARG 46 4.622 0.620 5.133 350 2HH1 ARG 46 HH12 ARG 46 6.259 0.792 4.603 351 1HH2 ARG 46 HH21 ARG 46 6.337 -2.235 2.882 352 2HH2 ARG 46 HH22 ARG 46 7.232 -0.836 3.363 353 H GLU 47 HN GLU 47 3.829 3.320 5.617 354 HA GLU 47 HA GLU 47 4.643 3.448 2.830 355 1HB GLU 47 HB2 GLU 47 5.138 5.798 2.852 356 2HB GLU 47 HB1 GLU 47 3.485 5.618 3.392 357 1HG GLU 47 HG2 GLU 47 4.090 6.047 5.633 358 2HG GLU 47 HG1 GLU 47 5.809 5.947 5.253 359 H SER 48 HN SER 48 6.887 5.173 3.481 360 HA SER 48 HA SER 48 8.332 3.578 5.439 361 1HB SER 48 HB2 SER 48 10.269 3.330 3.933 362 2HB SER 48 HB1 SER 48 8.851 2.506 3.294 363 HG SER 48 HG SER 48 9.136 3.664 1.578 364 H GLN 49 HN GLN 49 9.876 4.710 6.509 365 HA GLN 49 HA GLN 49 9.875 7.583 5.967 366 1HB GLN 49 HB2 GLN 49 10.526 7.889 8.249 367 2HB GLN 49 HB1 GLN 49 9.247 6.670 8.255 368 1HG GLN 49 HG2 GLN 49 10.899 5.950 9.777 369 2HG GLN 49 HG1 GLN 49 11.044 4.931 8.348 370 H ARG 50 HN ARG 50 11.402 5.187 4.741 371 HA ARG 50 HA ARG 50 14.138 6.191 5.023 372 1HB ARG 50 HB2 ARG 50 13.806 3.778 5.433 373 2HB ARG 50 HB1 ARG 50 13.136 3.602 3.819 374 1HG ARG 50 HG2 ARG 50 15.364 2.841 3.712 375 2HG ARG 50 HG1 ARG 50 15.339 4.420 2.928 376 1HD ARG 50 HD2 ARG 50 16.143 3.960 5.798 377 2HD ARG 50 HD1 ARG 50 17.281 4.051 4.456 378 HE ARG 50 HE ARG 50 16.088 6.230 5.807 379 1HH1 ARG 50 HH11 ARG 50 17.099 5.195 2.630 380 2HH1 ARG 50 HH12 ARG 50 17.329 6.808 2.043 381 1HH2 ARG 50 HH21 ARG 50 16.394 8.350 5.036 382 2HH2 ARG 50 HH22 ARG 50 16.932 8.598 3.409 383 H ASN 51 HN ASN 51 11.616 5.396 2.615 384 HA ASN 51 HA ASN 51 13.271 6.364 0.454 385 1HB ASN 51 HB2 ASN 51 10.309 5.789 0.416 386 2HB ASN 51 HB1 ASN 51 11.394 5.872 -0.967 387 1HD2 ASN 51 1HD2 ASN 51 13.260 4.417 1.237 388 2HD2 ASN 51 2HD2 ASN 51 12.839 2.769 0.960 389 HA PRO 52 HA PRO 52 12.541 10.751 1.059 390 1HB PRO 52 HB2 PRO 52 12.482 10.635 -1.935 391 2HB PRO 52 HB1 PRO 52 13.331 11.766 -0.873 392 1HG PRO 52 HG2 PRO 52 14.640 9.771 -2.062 393 2HG PRO 52 HG1 PRO 52 15.031 10.262 -0.405 394 1HD PRO 52 HD2 PRO 52 13.607 7.844 -1.375 395 2HD PRO 52 HD1 PRO 52 14.579 8.073 0.092 396 H GLN 53 HN GLN 53 10.743 8.763 -1.170 397 HA GLN 53 HA GLN 53 8.243 10.077 -0.419 398 1HB GLN 53 HB2 GLN 53 7.495 9.991 -2.792 399 2HB GLN 53 HB1 GLN 53 8.799 11.133 -2.521 400 1HG GLN 53 HG2 GLN 53 10.398 9.495 -3.396 401 2HG GLN 53 HG1 GLN 53 9.073 8.376 -3.698 402 H GLY 54 HN GLY 54 8.521 8.049 0.896 403 1HA GLY 54 HA2 GLY 54 8.009 5.607 -0.619 404 2HA GLY 54 HA1 GLY 54 8.535 5.698 1.040 405 H PHE 55 HN PHE 55 5.656 6.658 -0.881 406 HA PHE 55 HA PHE 55 3.971 5.829 1.373 407 1HB PHE 55 HB2 PHE 55 3.296 7.358 -1.156 408 2HB PHE 55 HB1 PHE 55 2.131 6.916 0.086 409 HD1 PHE 55 HD1 PHE 55 5.526 8.493 0.055 410 HD2 PHE 55 HD2 PHE 55 1.487 8.673 1.386 411 HE1 PHE 55 HE1 PHE 55 6.025 10.569 1.273 412 HE2 PHE 55 HE2 PHE 55 1.979 10.754 2.603 413 HZ PHE 55 HZ PHE 55 4.250 11.704 2.547 414 H VAL 56 HN VAL 56 3.190 3.874 1.375 415 HA VAL 56 HA VAL 56 2.773 2.475 -1.167 416 HB VAL 56 HB VAL 56 4.213 0.877 -0.568 417 1HG1 VAL 56 1HG1 VAL 56 5.734 1.161 1.089 418 2HG1 VAL 56 2HG1 VAL 56 4.527 1.633 2.277 419 3HG1 VAL 56 3HG1 VAL 56 5.064 2.791 1.053 420 2HG2 VAL 56 2HG2 VAL 56 3.734 -0.640 1.291 421 2HG2 VAL 56 2HG2 VAL 56 2.295 -0.310 0.331 422 3HG2 VAL 56 3HG2 VAL 56 2.518 0.488 1.889 423 H LEU 57 HN LEU 57 1.297 0.810 -1.247 424 HA LEU 57 HA LEU 57 -0.794 0.775 0.804 425 1HB LEU 57 HB2 LEU 57 -1.402 1.958 -1.443 426 2HB LEU 57 HB1 LEU 57 -1.385 0.342 -2.120 427 HG LEU 57 HG LEU 57 -3.214 1.401 0.022 428 1HD1 LEU 57 1HD1 LEU 57 -3.832 1.986 -2.253 429 2HD1 LEU 57 2HD1 LEU 57 -4.962 0.814 -1.578 430 3HD1 LEU 57 3HD1 LEU 57 -3.734 0.291 -2.729 431 1HD2 LEU 57 1HD2 LEU 57 -4.201 -0.832 0.097 432 2HD2 LEU 57 2HD2 LEU 57 -2.518 -0.852 0.628 433 3HD2 LEU 57 3HD2 LEU 57 -2.942 -1.424 -0.987 434 H SER 58 HN SER 58 -0.707 -1.216 1.684 435 HA SER 58 HA SER 58 0.557 -3.353 0.147 436 1HB SER 58 HB2 SER 58 -0.233 -3.466 3.054 437 2HB SER 58 HB1 SER 58 1.011 -4.400 2.219 438 HG SER 58 HG SER 58 1.103 -1.584 2.483 439 H LEU 59 HN LEU 59 -0.412 -5.174 -0.452 440 HA LEU 59 HA LEU 59 -3.297 -5.372 0.031 441 1HB LEU 59 HB2 LEU 59 -1.528 -6.446 -2.158 442 2HB LEU 59 HB1 LEU 59 -3.203 -6.928 -1.966 443 HG LEU 59 HG LEU 59 -2.734 -5.120 -3.686 444 1HD1 LEU 59 1HD1 LEU 59 -4.834 -5.341 -1.734 445 2HD1 LEU 59 2HD1 LEU 59 -4.926 -4.910 -3.441 446 3HD1 LEU 59 3HD1 LEU 59 -4.625 -3.662 -2.232 447 1HD2 LEU 59 1HD2 LEU 59 -2.296 -2.914 -3.004 448 2HD2 LEU 59 2HD2 LEU 59 -1.133 -3.908 -2.124 449 3HD2 LEU 59 3HD2 LEU 59 -2.572 -3.299 -1.305 450 H CYS 60 HN CYS 60 -4.123 -7.688 -0.074 451 HA CYS 60 HA CYS 60 -2.365 -9.631 1.151 452 1HB CYS 60 HB2 CYS 60 -3.529 -8.481 3.048 453 2HB CYS 60 HB1 CYS 60 -5.065 -8.941 2.324 454 HG CYS 60 HG CYS 60 -3.094 -10.673 4.316 455 H HIS 61 HN HIS 61 -2.451 -10.432 -0.840 456 HA HIS 61 HA HIS 61 -4.945 -11.170 -2.016 457 1HB HIS 61 HB2 HIS 61 -3.582 -10.430 -3.606 458 2HB HIS 61 HB1 HIS 61 -2.127 -10.861 -2.758 459 HD1 HIS 61 HD1 HIS 61 -1.055 -11.664 -4.929 460 HD2 HIS 61 HD2 HIS 61 -4.569 -13.696 -4.058 461 HE1 HIS 61 HE1 HIS 61 -1.168 -13.556 -6.574 462 HE2 HIS 61 HE2 HIS 61 -3.330 -14.736 -6.060 463 H LEU 62 HN LEU 62 -5.239 -13.475 -2.737 464 HA LEU 62 HA LEU 62 -4.545 -15.158 -0.458 465 1HB LEU 62 HB2 LEU 62 -6.271 -16.725 -1.322 466 2HB LEU 62 HB1 LEU 62 -6.879 -15.142 -0.894 467 HG LEU 62 HG LEU 62 -7.898 -16.093 -2.945 468 1HD1 LEU 62 1HD1 LEU 62 -7.124 -13.502 -2.470 469 2HD1 LEU 62 2HD1 LEU 62 -8.256 -14.040 -3.708 470 3HD1 LEU 62 3HD1 LEU 62 -6.557 -13.797 -4.115 471 1HD2 LEU 62 1HD2 LEU 62 -6.652 -16.220 -5.000 472 2HD2 LEU 62 2HD2 LEU 62 -5.892 -17.248 -3.788 473 3HD2 LEU 62 3HD2 LEU 62 -5.185 -15.682 -4.186 474 H GLN 63 HN GLN 63 -2.549 -14.651 -1.849 475 HA GLN 63 HA GLN 63 -1.664 -17.250 -2.344 476 1HB GLN 63 HB2 GLN 63 -1.379 -15.189 -4.529 477 2HB GLN 63 HB1 GLN 63 -0.460 -16.680 -4.474 478 1HG GLN 63 HG2 GLN 63 -3.461 -16.560 -4.595 479 2HG GLN 63 HG1 GLN 63 -2.416 -16.728 -6.004 480 H LYS 64 HN LYS 64 -1.070 -13.792 -2.277 481 HA LYS 64 HA LYS 64 1.103 -14.259 -0.455 482 1HB LYS 64 HB2 LYS 64 2.786 -12.994 -1.740 483 2HB LYS 64 HB1 LYS 64 2.299 -14.475 -2.543 484 1HG LYS 64 HG2 LYS 64 2.434 -12.880 -4.240 485 2HG LYS 64 HG1 LYS 64 0.709 -13.038 -3.903 486 1HD LYS 64 HD2 LYS 64 0.675 -10.999 -2.686 487 2HD LYS 64 HD1 LYS 64 2.437 -10.905 -2.666 488 1HE LYS 64 HE2 LYS 64 0.649 -10.679 -5.084 489 2HE LYS 64 HE1 LYS 64 1.517 -9.364 -4.296 490 1HZ LYS 64 HZ1 LYS 64 2.527 -11.465 -6.049 491 2HZ LYS 64 HZ2 LYS 64 3.541 -10.960 -4.793 492 3HZ LYS 64 HZ3 LYS 64 2.985 -9.840 -5.932 493 H VAL 65 HN VAL 65 2.271 -11.741 -0.509 494 HA VAL 65 HA VAL 65 0.124 -9.785 -0.187 495 HB VAL 65 HB VAL 65 1.028 -9.025 1.969 496 1HG1 VAL 65 1HG1 VAL 65 0.062 -10.725 3.319 497 2HG1 VAL 65 2HG1 VAL 65 0.392 -11.962 2.105 498 3HG1 VAL 65 3HG1 VAL 65 -0.819 -10.718 1.790 499 2HG2 VAL 65 2HG2 VAL 65 2.569 -10.602 3.191 500 2HG2 VAL 65 2HG2 VAL 65 3.301 -9.702 1.863 501 3HG2 VAL 65 3HG2 VAL 65 2.856 -11.395 1.644 502 H LYS 66 HN LYS 66 0.808 -7.650 -0.679 503 HA LYS 66 HA LYS 66 3.685 -7.328 -1.195 504 1HB LYS 66 HB2 LYS 66 3.358 -6.498 -3.417 505 2HB LYS 66 HB1 LYS 66 2.589 -8.071 -3.285 506 1HG LYS 66 HG2 LYS 66 0.433 -6.756 -2.830 507 2HG LYS 66 HG1 LYS 66 1.320 -5.369 -3.464 508 1HD LYS 66 HD2 LYS 66 0.584 -7.920 -4.875 509 2HD LYS 66 HD1 LYS 66 0.151 -6.269 -5.305 510 1HE LYS 66 HE2 LYS 66 2.922 -7.454 -5.404 511 2HE LYS 66 HE1 LYS 66 1.877 -7.155 -6.791 512 1HZ LYS 66 HZ1 LYS 66 3.105 -5.269 -6.830 513 2HZ LYS 66 HZ2 LYS 66 3.393 -5.266 -5.163 514 3HZ LYS 66 HZ3 LYS 66 1.901 -4.743 -5.763 515 H HIS 67 HN HIS 67 3.861 -4.930 -2.317 516 HA HIS 67 HA HIS 67 2.422 -3.042 -0.574 517 1HB HIS 67 HB2 HIS 67 5.384 -2.924 -1.178 518 2HB HIS 67 HB1 HIS 67 4.480 -1.849 -0.114 519 HD1 HIS 67 HD1 HIS 67 3.352 -3.170 2.024 520 HD2 HIS 67 HD2 HIS 67 6.545 -4.998 0.101 521 HE1 HIS 67 HE1 HIS 67 4.214 -4.890 3.643 522 HE2 HIS 67 HE2 HIS 67 6.217 -5.905 2.501 523 H TYR 68 HN TYR 68 2.098 -0.966 -1.446 524 HA TYR 68 HA TYR 68 2.731 -0.689 -4.308 525 1HB TYR 68 HB2 TYR 68 0.257 0.047 -2.787 526 2HB TYR 68 HB1 TYR 68 0.640 0.804 -4.324 527 HD1 TYR 68 HD1 TYR 68 -0.781 0.016 -5.921 528 HD2 TYR 68 HD2 TYR 68 0.880 -2.739 -3.143 529 HE1 TYR 68 HE1 TYR 68 -1.846 -1.834 -7.131 530 HE2 TYR 68 HE2 TYR 68 -0.176 -4.599 -4.350 531 HH TYR 68 HH TYR 68 -1.159 -5.173 -6.340 532 H LEU 69 HN LEU 69 4.743 0.513 -3.610 533 HA LEU 69 HA LEU 69 4.021 3.308 -3.076 534 1HB LEU 69 HB2 LEU 69 4.732 2.854 -0.957 535 2HB LEU 69 HB1 LEU 69 5.867 1.647 -1.468 536 HG LEU 69 HG LEU 69 6.720 3.915 -0.477 537 1HD1 LEU 69 1HD1 LEU 69 7.788 2.112 -2.444 538 2HD1 LEU 69 2HD1 LEU 69 8.597 2.912 -1.101 539 3HD1 LEU 69 3HD1 LEU 69 8.441 3.729 -2.656 540 1HD2 LEU 69 1HD2 LEU 69 6.982 4.929 -3.203 541 2HD2 LEU 69 2HD2 LEU 69 6.613 5.783 -1.720 542 3HD2 LEU 69 3HD2 LEU 69 5.331 4.970 -2.601 543 H ILE 70 HN ILE 70 4.732 4.468 -4.715 544 HA ILE 70 HA ILE 70 7.596 4.213 -5.193 545 HB ILE 70 HB ILE 70 5.682 4.032 -7.482 546 1HG1 ILE 70 2HG1 ILE 70 6.136 1.943 -6.214 547 2HG1 ILE 70 1HG1 ILE 70 6.748 1.864 -7.851 548 2HG2 ILE 70 2HG2 ILE 70 8.584 3.835 -7.963 549 2HG2 ILE 70 2HG2 ILE 70 7.973 5.446 -7.598 550 3HG2 ILE 70 3HG2 ILE 70 7.318 4.544 -8.962 551 1HD1 ILE 70 1HD1 ILE 70 8.648 2.830 -5.854 552 2HD1 ILE 70 2HD1 ILE 70 8.862 1.719 -7.204 553 3HD1 ILE 70 3HD1 ILE 70 8.144 1.149 -5.701 554 H LEU 71 HN LEU 71 4.652 5.831 -5.870 555 HA LEU 71 HA LEU 71 6.092 8.383 -5.614 556 1HB LEU 71 HB2 LEU 71 4.091 7.820 -7.777 557 2HB LEU 71 HB1 LEU 71 5.038 9.282 -7.578 558 HG LEU 71 HG LEU 71 6.142 6.557 -8.269 559 1HD1 LEU 71 1HD1 LEU 71 5.652 8.997 -9.967 560 2HD1 LEU 71 2HD1 LEU 71 4.861 7.426 -10.107 561 3HD1 LEU 71 3HD1 LEU 71 6.580 7.585 -10.475 562 1HD2 LEU 71 1HD2 LEU 71 7.722 9.017 -8.673 563 2HD2 LEU 71 2HD2 LEU 71 8.232 7.403 -8.174 564 3HD2 LEU 71 3HD2 LEU 71 7.496 8.498 -7.002 565 HA PRO 72 HA PRO 72 2.376 9.248 -3.261 566 1HB PRO 72 HB2 PRO 72 3.289 11.349 -1.922 567 2HB PRO 72 HB1 PRO 72 4.002 9.757 -1.655 568 1HG PRO 72 HG2 PRO 72 5.041 12.043 -3.274 569 2HG PRO 72 HG1 PRO 72 5.920 10.936 -2.205 570 1HD PRO 72 HD2 PRO 72 5.721 10.707 -4.988 571 2HD PRO 72 HD1 PRO 72 6.224 9.420 -3.878 572 H SER 73 HN SER 73 2.604 12.444 -2.897 573 HA SER 73 HA SER 73 0.882 12.983 -5.187 574 1HB SER 73 HB2 SER 73 0.054 13.647 -2.980 575 2HB SER 73 HB1 SER 73 1.482 14.652 -2.731 576 HG SER 73 HG SER 73 -0.522 15.703 -3.531 577 H GLU 74 HN GLU 74 1.575 14.047 -6.928 578 HA GLU 74 HA GLU 74 4.069 15.603 -6.709 579 1HB GLU 74 HB2 GLU 74 3.025 14.006 -9.054 580 2HB GLU 74 HB1 GLU 74 4.430 15.061 -9.119 581 1HG GLU 74 HG2 GLU 74 5.117 12.763 -8.872 582 2HG GLU 74 HG1 GLU 74 5.537 13.682 -7.427 583 H GLU 75 HN GLU 75 4.237 17.150 -8.732 584 HA GLU 75 HA GLU 75 1.789 18.754 -8.657 585 1HB GLU 75 HB2 GLU 75 4.572 19.472 -9.607 586 2HB GLU 75 HB1 GLU 75 3.207 20.578 -9.528 587 1HG GLU 75 HG2 GLU 75 4.463 19.186 -7.173 588 2HG GLU 75 HG1 GLU 75 4.748 20.858 -7.650 589 H GLU 76 HN GLU 76 2.362 16.325 -10.299 590 HA GLU 76 HA GLU 76 1.706 17.455 -12.927 591 1HB GLU 76 HB2 GLU 76 3.853 16.251 -12.976 592 2HB GLU 76 HB1 GLU 76 3.078 14.828 -12.295 593 1HG GLU 76 HG2 GLU 76 1.687 14.625 -14.289 594 2HG GLU 76 HG1 GLU 76 2.454 16.059 -14.970 595 H GLY 77 HN GLY 77 0.606 15.856 -10.198 596 1HA GLY 77 HA2 GLY 77 -1.967 15.394 -11.229 597 2HA GLY 77 HA1 GLY 77 -1.093 13.870 -11.217 598 H ARG 78 HN ARG 78 -1.783 12.719 -9.531 599 HA ARG 78 HA ARG 78 -1.888 14.058 -6.910 600 1HB ARG 78 HB2 ARG 78 -3.760 11.906 -7.905 601 2HB ARG 78 HB1 ARG 78 -3.822 12.680 -6.329 602 1HG ARG 78 HG2 ARG 78 -4.233 14.057 -8.976 603 2HG ARG 78 HG1 ARG 78 -5.510 13.574 -7.859 604 1HD ARG 78 HD2 ARG 78 -3.318 15.580 -7.347 605 2HD ARG 78 HD1 ARG 78 -5.031 15.926 -7.582 606 HE ARG 78 HE ARG 78 -4.767 14.152 -5.436 607 1HH1 ARG 78 HH11 ARG 78 -4.016 17.462 -6.249 608 2HH1 ARG 78 HH12 ARG 78 -4.132 18.023 -4.615 609 1HH2 ARG 78 HH21 ARG 78 -4.919 14.888 -3.284 610 2HH2 ARG 78 HH22 ARG 78 -4.644 16.561 -2.931 611 H LEU 79 HN LEU 79 -2.776 10.959 -6.307 612 HA LEU 79 HA LEU 79 -0.173 10.243 -5.339 613 1HB LEU 79 HB2 LEU 79 -2.651 8.524 -5.557 614 2HB LEU 79 HB1 LEU 79 -1.242 8.196 -4.572 615 HG LEU 79 HG LEU 79 -3.182 10.470 -4.171 616 1HD1 LEU 79 1HD1 LEU 79 -2.686 7.969 -2.562 617 2HD1 LEU 79 2HD1 LEU 79 -4.108 8.306 -3.550 618 3HD1 LEU 79 3HD1 LEU 79 -3.777 9.282 -2.120 619 1HD2 LEU 79 1HD2 LEU 79 -1.927 10.971 -2.165 620 2HD2 LEU 79 2HD2 LEU 79 -0.865 11.056 -3.570 621 3HD2 LEU 79 3HD2 LEU 79 -0.807 9.652 -2.503 622 H TYR 80 HN TYR 80 1.400 9.478 -6.657 623 HA TYR 80 HA TYR 80 0.634 8.378 -9.206 624 1HB TYR 80 HB2 TYR 80 3.139 9.459 -8.080 625 2HB TYR 80 HB1 TYR 80 3.262 8.340 -9.435 626 HD1 TYR 80 HD1 TYR 80 3.940 9.725 -11.196 627 HD2 TYR 80 HD2 TYR 80 0.635 10.884 -8.787 628 HE1 TYR 80 HE1 TYR 80 3.457 11.563 -12.756 629 HE2 TYR 80 HE2 TYR 80 0.143 12.725 -10.335 630 HH TYR 80 HH TYR 80 0.649 13.127 -12.936 631 H PHE 81 HN PHE 81 0.475 6.401 -9.750 632 HA PHE 81 HA PHE 81 2.086 4.335 -8.538 633 1HB PHE 81 HB2 PHE 81 -0.916 4.251 -8.708 634 2HB PHE 81 HB1 PHE 81 0.073 2.824 -8.432 635 HD1 PHE 81 HD1 PHE 81 0.273 2.123 -6.264 636 HD2 PHE 81 HD2 PHE 81 -0.311 6.270 -7.023 637 HE1 PHE 81 HE1 PHE 81 0.219 2.562 -3.839 638 HE2 PHE 81 HE2 PHE 81 -0.349 6.706 -4.602 639 HZ PHE 81 HZ PHE 81 -0.088 4.854 -3.012 640 H SER 82 HN SER 82 2.744 2.756 -9.891 641 HA SER 82 HA SER 82 1.452 2.432 -12.466 642 1HB SER 82 HB2 SER 82 3.606 2.726 -13.687 643 2HB SER 82 HB1 SER 82 2.959 4.215 -13.006 644 HG SER 82 HG SER 82 4.456 4.068 -11.349 645 H MET 83 HN MET 83 1.801 0.696 -10.204 646 HA MET 83 HA MET 83 3.794 -1.132 -10.178 647 1HB MET 83 HB2 MET 83 2.235 -2.749 -9.330 648 2HB MET 83 HB1 MET 83 1.760 -1.164 -8.737 649 1HG MET 83 HG2 MET 83 -0.025 -1.025 -10.292 650 2HG MET 83 HG1 MET 83 0.529 -2.462 -11.146 651 1HE MET 83 HE1 MET 83 -2.716 -3.892 -9.749 652 2HE MET 83 HE2 MET 83 -1.870 -3.186 -11.127 653 3HE MET 83 HE3 MET 83 -2.650 -2.139 -9.941 654 H ASP 84 HN ASP 84 3.173 -3.608 -10.843 655 HA ASP 84 HA ASP 84 4.015 -4.030 -13.390 656 1HB ASP 84 HB2 ASP 84 2.082 -5.764 -11.846 657 2HB ASP 84 HB1 ASP 84 3.031 -6.287 -13.233 658 H ASP 85 HN ASP 85 0.596 -3.996 -12.383 659 HA ASP 85 HA ASP 85 -0.111 -3.219 -15.126 660 1HB ASP 85 HB2 ASP 85 -0.511 -5.654 -14.858 661 2HB ASP 85 HB1 ASP 85 -1.590 -5.309 -13.511 662 H GLY 86 HN GLY 86 0.172 -1.595 -12.803 663 1HA GLY 86 HA2 GLY 86 -2.586 -0.599 -12.627 664 2HA GLY 86 HA1 GLY 86 -1.685 -0.858 -11.142 665 H GLN 87 HN GLN 87 -2.308 1.241 -13.740 666 HA GLN 87 HA GLN 87 -0.245 3.106 -12.781 667 1HB GLN 87 HB2 GLN 87 -0.340 4.134 -15.057 668 2HB GLN 87 HB1 GLN 87 0.292 2.496 -15.047 669 1HG GLN 87 HG2 GLN 87 -2.587 3.092 -15.636 670 2HG GLN 87 HG1 GLN 87 -1.350 3.130 -16.886 671 H THR 88 HN THR 88 -2.128 3.437 -11.211 672 HA THR 88 HA THR 88 -4.137 5.207 -12.380 673 HB THR 88 HB THR 88 -5.382 4.856 -10.270 674 HG1 THR 88 HG1 THR 88 -4.566 3.703 -8.697 675 2HG2 THR 88 2HG2 THR 88 -5.238 2.119 -10.741 676 2HG2 THR 88 2HG2 THR 88 -4.872 2.880 -12.291 677 3HG2 THR 88 3HG2 THR 88 -6.374 3.267 -11.447 678 H ARG 89 HN ARG 89 -1.373 6.011 -11.669 679 HA ARG 89 HA ARG 89 -0.941 7.477 -9.481 680 1HB ARG 89 HB2 ARG 89 0.306 9.097 -10.880 681 2HB ARG 89 HB1 ARG 89 0.630 7.428 -11.321 682 1HG ARG 89 HG2 ARG 89 -0.707 7.592 -13.269 683 2HG ARG 89 HG1 ARG 89 -1.365 9.149 -12.765 684 1HD ARG 89 HD2 ARG 89 0.829 10.175 -12.986 685 2HD ARG 89 HD1 ARG 89 1.531 8.617 -13.424 686 HE ARG 89 HE ARG 89 0.214 10.418 -15.158 687 1HH1 ARG 89 HH11 ARG 89 0.598 7.004 -14.534 688 2HH1 ARG 89 HH12 ARG 89 0.223 6.539 -16.158 689 1HH2 ARG 89 HH21 ARG 89 -0.273 9.805 -17.295 690 2HH2 ARG 89 HH22 ARG 89 -0.269 8.127 -17.727 691 H PHE 90 HN PHE 90 -3.424 7.882 -9.050 692 HA PHE 90 HA PHE 90 -3.865 10.744 -9.476 693 1HB PHE 90 HB2 PHE 90 -5.159 9.421 -11.199 694 2HB PHE 90 HB1 PHE 90 -6.069 8.707 -9.874 695 HD1 PHE 90 HD1 PHE 90 -8.213 9.529 -9.948 696 HD2 PHE 90 HD2 PHE 90 -4.955 12.203 -10.532 697 HE1 PHE 90 HE1 PHE 90 -9.785 11.421 -10.019 698 HE2 PHE 90 HE2 PHE 90 -6.519 14.100 -10.603 699 HZ PHE 90 HZ PHE 90 -8.938 13.710 -10.345 700 H THR 91 HN THR 91 -6.097 11.222 -8.082 701 HA THR 91 HA THR 91 -5.347 10.588 -5.390 702 HB THR 91 HB THR 91 -7.748 12.053 -6.506 703 HG1 THR 91 HG1 THR 91 -6.600 13.827 -6.182 704 2HG2 THR 91 2HG2 THR 91 -8.655 12.169 -4.499 705 2HG2 THR 91 2HG2 THR 91 -7.151 12.800 -3.828 706 3HG2 THR 91 3HG2 THR 91 -7.426 11.059 -3.893 707 H ASP 92 HN ASP 92 -5.563 8.205 -6.023 708 HA ASP 92 HA ASP 92 -7.944 6.897 -6.449 709 1HB ASP 92 HB2 ASP 92 -5.750 5.793 -6.491 710 2HB ASP 92 HB1 ASP 92 -5.629 5.959 -4.741 711 H LEU 93 HN LEU 93 -6.852 8.449 -3.548 712 HA LEU 93 HA LEU 93 -8.057 7.232 -1.476 713 1HB LEU 93 HB2 LEU 93 -6.854 9.334 -1.268 714 2HB LEU 93 HB1 LEU 93 -8.156 10.185 -2.076 715 HG LEU 93 HG LEU 93 -9.660 9.640 -0.191 716 1HD1 LEU 93 1HD1 LEU 93 -9.139 8.215 1.440 717 2HD1 LEU 93 2HD1 LEU 93 -7.539 8.924 1.662 718 3HD1 LEU 93 3HD1 LEU 93 -7.797 7.704 0.416 719 1HD2 LEU 93 1HD2 LEU 93 -8.107 10.960 1.547 720 2HD2 LEU 93 2HD2 LEU 93 -8.900 11.738 0.177 721 3HD2 LEU 93 3HD2 LEU 93 -7.205 11.263 0.062 722 H LEU 94 HN LEU 94 -9.845 9.815 -3.178 723 HA LEU 94 HA LEU 94 -12.337 9.220 -2.105 724 1HB LEU 94 HB2 LEU 94 -11.692 11.286 -3.363 725 2HB LEU 94 HB1 LEU 94 -11.809 10.364 -4.848 726 HG LEU 94 HG LEU 94 -13.797 11.764 -4.426 727 1HD1 LEU 94 1HD1 LEU 94 -14.853 9.020 -4.125 728 2HD1 LEU 94 2HD1 LEU 94 -13.745 9.306 -5.469 729 3HD1 LEU 94 3HD1 LEU 94 -15.224 10.257 -5.326 730 1HD2 LEU 94 1HD2 LEU 94 -14.951 11.763 -2.507 731 2HD2 LEU 94 2HD2 LEU 94 -13.507 11.020 -1.822 732 3HD2 LEU 94 3HD2 LEU 94 -14.859 10.011 -2.337 733 H GLN 95 HN GLN 95 -10.836 8.039 -5.092 734 HA GLN 95 HA GLN 95 -13.031 6.598 -6.072 735 1HB GLN 95 HB2 GLN 95 -11.051 7.092 -7.429 736 2HB GLN 95 HB1 GLN 95 -10.078 6.037 -6.414 737 1HG GLN 95 HG2 GLN 95 -11.424 4.122 -7.114 738 2HG GLN 95 HG1 GLN 95 -12.394 5.179 -8.134 739 H LEU 96 HN LEU 96 -10.415 5.675 -3.898 740 HA LEU 96 HA LEU 96 -10.830 2.971 -3.642 741 1HB LEU 96 HB2 LEU 96 -9.020 4.289 -2.552 742 2HB LEU 96 HB1 LEU 96 -10.194 4.877 -1.389 743 HG LEU 96 HG LEU 96 -10.582 2.291 -0.989 744 1HD1 LEU 96 1HD1 LEU 96 -9.205 1.124 -2.333 745 2HD1 LEU 96 2HD1 LEU 96 -8.040 1.441 -1.049 746 3HD1 LEU 96 3HD1 LEU 96 -8.055 2.450 -2.494 747 1HD2 LEU 96 1HD2 LEU 96 -8.448 2.549 0.607 748 2HD2 LEU 96 2HD2 LEU 96 -9.993 3.344 0.915 749 3HD2 LEU 96 3HD2 LEU 96 -8.678 4.237 0.149 750 H VAL 97 HN VAL 97 -12.280 5.517 -1.625 751 HA VAL 97 HA VAL 97 -13.874 4.032 0.010 752 HB VAL 97 HB VAL 97 -14.682 6.651 -1.257 753 1HG1 VAL 97 1HG1 VAL 97 -16.439 6.704 0.111 754 2HG1 VAL 97 2HG1 VAL 97 -15.467 6.211 1.498 755 3HG1 VAL 97 3HG1 VAL 97 -16.143 4.993 0.416 756 2HG2 VAL 97 2HG2 VAL 97 -12.422 6.130 0.258 757 2HG2 VAL 97 2HG2 VAL 97 -13.576 6.781 1.420 758 3HG2 VAL 97 3HG2 VAL 97 -13.158 7.708 -0.021 759 H GLU 98 HN GLU 98 -15.156 5.567 -2.959 760 HA GLU 98 HA GLU 98 -17.537 4.017 -2.931 761 1HB GLU 98 HB2 GLU 98 -17.413 6.214 -4.000 762 2HB GLU 98 HB1 GLU 98 -16.276 5.586 -5.185 763 1HG GLU 98 HG2 GLU 98 -17.992 4.068 -6.029 764 2HG GLU 98 HG1 GLU 98 -19.131 4.695 -4.839 765 H PHE 99 HN PHE 99 -14.686 3.832 -5.075 766 HA PHE 99 HA PHE 99 -15.652 1.523 -6.405 767 1HB PHE 99 HB2 PHE 99 -12.883 2.721 -6.308 768 2HB PHE 99 HB1 PHE 99 -13.335 1.365 -7.330 769 HD1 PHE 99 HD1 PHE 99 -13.582 1.922 -9.514 770 HD2 PHE 99 HD2 PHE 99 -14.829 4.718 -6.558 771 HE1 PHE 99 HE1 PHE 99 -14.313 3.466 -11.283 772 HE2 PHE 99 HE2 PHE 99 -15.566 6.262 -8.320 773 HZ PHE 99 HZ PHE 99 -15.309 5.637 -10.688 774 H HIS 100 HN HIS 100 -14.635 1.748 -3.270 775 HA HIS 100 HA HIS 100 -12.862 -0.338 -2.845 776 1HB HIS 100 HB2 HIS 100 -13.645 -0.431 -0.607 777 2HB HIS 100 HB1 HIS 100 -13.880 1.239 -1.099 778 HD1 HIS 100 HD1 HIS 100 -16.552 1.262 -2.406 779 HD2 HIS 100 HD2 HIS 100 -15.757 -1.079 0.933 780 HE1 HIS 100 HE1 HIS 100 -18.790 0.809 -1.355 781 HE2 HIS 100 HE2 HIS 100 -18.292 -0.682 0.612 782 H GLN 101 HN GLN 101 -16.242 -0.351 -3.614 783 HA GLN 101 HA GLN 101 -16.732 -3.106 -3.104 784 1HB GLN 101 HB2 GLN 101 -18.821 -2.684 -4.408 785 2HB GLN 101 HB1 GLN 101 -18.568 -1.558 -3.081 786 1HG GLN 101 HG2 GLN 101 -17.530 -0.019 -4.852 787 2HG GLN 101 HG1 GLN 101 -18.295 -1.084 -6.025 788 H LEU 102 HN LEU 102 -15.575 -1.285 -5.874 789 HA LEU 102 HA LEU 102 -14.897 -3.789 -7.177 790 1HB LEU 102 HB2 LEU 102 -17.243 -2.978 -7.899 791 2HB LEU 102 HB1 LEU 102 -16.385 -1.728 -8.779 792 HG LEU 102 HG LEU 102 -16.978 -3.579 -10.246 793 1HD1 LEU 102 1HD1 LEU 102 -14.823 -3.992 -11.239 794 2HD1 LEU 102 2HD1 LEU 102 -14.008 -3.537 -9.743 795 3HD1 LEU 102 3HD1 LEU 102 -14.898 -2.326 -10.666 796 1HD2 LEU 102 1HD2 LEU 102 -15.298 -5.258 -8.391 797 2HD2 LEU 102 2HD2 LEU 102 -15.956 -5.790 -9.938 798 3HD2 LEU 102 3HD2 LEU 102 -17.043 -5.369 -8.615 799 H ASN 103 HN ASN 103 -12.900 -2.568 -6.271 800 HA ASN 103 HA ASN 103 -11.835 -0.861 -8.423 801 1HB ASN 103 HB2 ASN 103 -10.305 0.128 -6.678 802 2HB ASN 103 HB1 ASN 103 -11.994 0.565 -6.552 803 1HD2 ASN 103 1HD2 ASN 103 -11.346 -2.624 -5.506 804 2HD2 ASN 103 2HD2 ASN 103 -11.360 -2.294 -3.819 805 H ARG 104 HN ARG 104 -9.676 -1.106 -9.027 806 HA ARG 104 HA ARG 104 -8.731 -3.780 -8.964 807 1HB ARG 104 HB2 ARG 104 -7.501 -1.220 -9.975 808 2HB ARG 104 HB1 ARG 104 -6.711 -2.782 -10.126 809 1HG ARG 104 HG2 ARG 104 -7.834 -2.194 -12.183 810 2HG ARG 104 HG1 ARG 104 -8.596 -3.606 -11.449 811 1HD ARG 104 HD2 ARG 104 -10.395 -2.233 -10.596 812 2HD ARG 104 HD1 ARG 104 -9.607 -0.774 -11.196 813 HE ARG 104 HE ARG 104 -10.002 -2.519 -13.347 814 1HH1 ARG 104 HH11 ARG 104 -11.874 -0.584 -11.127 815 2HH1 ARG 104 HH12 ARG 104 -13.176 -0.341 -12.241 816 1HH2 ARG 104 HH21 ARG 104 -11.714 -2.200 -14.814 817 2HH2 ARG 104 HH22 ARG 104 -13.087 -1.259 -14.335 818 H GLY 105 HN GLY 105 -8.773 -3.709 -6.471 819 1HA GLY 105 HA2 GLY 105 -6.965 -2.412 -4.871 820 2HA GLY 105 HA1 GLY 105 -7.490 -4.065 -4.590 821 H ILE 106 HN ILE 106 -6.246 -5.791 -5.517 822 HA ILE 106 HA ILE 106 -3.411 -5.076 -5.834 823 HB ILE 106 HB ILE 106 -4.041 -6.590 -3.947 824 1HG1 ILE 106 2HG1 ILE 106 -1.798 -6.662 -5.311 825 2HG1 ILE 106 1HG1 ILE 106 -2.138 -7.888 -4.102 826 2HG2 ILE 106 2HG2 ILE 106 -5.883 -7.719 -5.091 827 2HG2 ILE 106 2HG2 ILE 106 -4.734 -8.853 -4.379 828 3HG2 ILE 106 3HG2 ILE 106 -4.718 -8.553 -6.118 829 1HD1 ILE 106 1HD1 ILE 106 -1.344 -8.355 -6.667 830 2HD1 ILE 106 2HD1 ILE 106 -3.088 -8.597 -6.765 831 3HD1 ILE 106 3HD1 ILE 106 -2.132 -9.524 -5.611 832 H LEU 107 HN LEU 107 -2.137 -6.465 -7.370 833 HA LEU 107 HA LEU 107 -2.814 -6.341 -9.946 834 1HB LEU 107 HB2 LEU 107 -1.371 -8.590 -8.569 835 2HB LEU 107 HB1 LEU 107 -1.545 -8.541 -10.310 836 HG LEU 107 HG LEU 107 -0.393 -6.306 -10.281 837 1HD1 LEU 107 1HD1 LEU 107 -0.152 -6.998 -7.386 838 2HD1 LEU 107 2HD1 LEU 107 -0.613 -5.474 -8.140 839 3HD1 LEU 107 3HD1 LEU 107 1.065 -6.007 -8.188 840 1HD2 LEU 107 1HD2 LEU 107 0.754 -8.406 -10.852 841 2HD2 LEU 107 2HD2 LEU 107 1.185 -8.613 -9.155 842 3HD2 LEU 107 3HD2 LEU 107 1.825 -7.246 -10.067 843 HA PRO 108 HA PRO 108 -6.188 -8.518 -11.699 844 1HB PRO 108 HB2 PRO 108 -4.137 -10.522 -12.576 845 2HB PRO 108 HB1 PRO 108 -5.510 -9.862 -13.473 846 1HG PRO 108 HG2 PRO 108 -2.992 -8.904 -13.753 847 2HG PRO 108 HG1 PRO 108 -4.433 -7.893 -13.943 848 1HD PRO 108 HD2 PRO 108 -2.397 -7.799 -11.871 849 2HD PRO 108 HD1 PRO 108 -3.721 -6.662 -12.181 850 H CYS 109 HN CYS 109 -6.800 -9.045 -9.414 851 HA CYS 109 HA CYS 109 -7.265 -11.894 -9.210 852 1HB CYS 109 HB2 CYS 109 -6.157 -10.514 -6.757 853 2HB CYS 109 HB1 CYS 109 -6.402 -12.231 -7.033 854 HG CYS 109 HG CYS 109 -4.228 -12.697 -8.500 855 H LEU 110 HN LEU 110 -8.184 -11.475 -6.352 856 HA LEU 110 HA LEU 110 -10.831 -10.615 -6.933 857 1HB LEU 110 HB2 LEU 110 -9.377 -11.272 -4.387 858 2HB LEU 110 HB1 LEU 110 -11.004 -10.623 -4.353 859 HG LEU 110 HG LEU 110 -10.951 -13.063 -4.141 860 1HD1 LEU 110 1HD1 LEU 110 -12.696 -11.587 -5.542 861 2HD1 LEU 110 2HD1 LEU 110 -12.867 -13.327 -5.310 862 3HD1 LEU 110 3HD1 LEU 110 -12.170 -12.701 -6.804 863 1HD2 LEU 110 1HD2 LEU 110 -10.372 -14.433 -6.106 864 2HD2 LEU 110 2HD2 LEU 110 -8.983 -13.564 -5.456 865 3HD2 LEU 110 3HD2 LEU 110 -9.780 -12.984 -6.917 866 H LEU 111 HN LEU 111 -10.020 -8.585 -7.905 867 HA LEU 111 HA LEU 111 -8.821 -6.473 -6.757 868 1HB LEU 111 HB2 LEU 111 -10.037 -5.011 -8.241 869 2HB LEU 111 HB1 LEU 111 -9.595 -6.490 -9.060 870 HG LEU 111 HG LEU 111 -11.782 -5.864 -9.773 871 1HD1 LEU 111 1HD1 LEU 111 -11.344 -8.275 -9.338 872 2HD1 LEU 111 2HD1 LEU 111 -13.045 -7.816 -9.288 873 3HD1 LEU 111 3HD1 LEU 111 -12.161 -8.089 -7.787 874 1HD2 LEU 111 1HD2 LEU 111 -12.086 -4.728 -7.307 875 2HD2 LEU 111 2HD2 LEU 111 -13.170 -6.114 -7.224 876 3HD2 LEU 111 3HD2 LEU 111 -13.357 -4.927 -8.511 877 H ARG 112 HN ARG 112 -12.051 -7.564 -5.943 878 HA ARG 112 HA ARG 112 -12.904 -5.213 -4.630 879 1HB ARG 112 HB2 ARG 112 -13.722 -8.051 -3.987 880 2HB ARG 112 HB1 ARG 112 -14.616 -6.586 -3.612 881 1HG ARG 112 HG2 ARG 112 -14.930 -6.167 -6.001 882 2HG ARG 112 HG1 ARG 112 -14.050 -7.653 -6.369 883 1HD ARG 112 HD2 ARG 112 -16.459 -8.013 -6.476 884 2HD ARG 112 HD1 ARG 112 -15.736 -8.952 -5.172 885 HE ARG 112 HE ARG 112 -16.615 -6.512 -4.123 886 1HH1 ARG 112 HH11 ARG 112 -17.936 -9.441 -5.487 887 2HH1 ARG 112 HH12 ARG 112 -19.415 -9.339 -4.592 888 1HH2 ARG 112 HH21 ARG 112 -18.561 -6.377 -2.946 889 2HH2 ARG 112 HH22 ARG 112 -19.770 -7.599 -3.150 890 H HIS 113 HN HIS 113 -12.408 -4.374 -2.683 891 HA HIS 113 HA HIS 113 -11.180 -6.108 -0.664 892 1HB HIS 113 HB2 HIS 113 -9.424 -4.462 -0.186 893 2HB HIS 113 HB1 HIS 113 -9.306 -5.059 -1.840 894 HD1 HIS 113 HD1 HIS 113 -11.173 -2.123 -0.259 895 HD2 HIS 113 HD2 HIS 113 -8.629 -3.007 -3.423 896 HE1 HIS 113 HE1 HIS 113 -10.848 0.044 -1.487 897 HE2 HIS 113 HE2 HIS 113 -9.358 -0.529 -3.436 898 H CYS 114 HN CYS 114 -10.879 -4.810 1.453 899 HA CYS 114 HA CYS 114 -12.996 -2.826 1.813 900 1HB CYS 114 HB2 CYS 114 -14.058 -4.943 2.365 901 2HB CYS 114 HB1 CYS 114 -12.740 -5.353 3.461 902 HG CYS 114 HG CYS 114 -14.034 -4.496 5.499 903 H CYS 115 HN CYS 115 -11.229 -4.592 4.321 904 HA CYS 115 HA CYS 115 -9.512 -2.262 4.778 905 1HB CYS 115 HB2 CYS 115 -11.199 -3.559 6.934 906 2HB CYS 115 HB1 CYS 115 -10.033 -2.263 7.179 907 HG CYS 115 HG CYS 115 -11.454 -0.335 5.829 908 H THR 116 HN THR 116 -8.372 -3.130 7.185 909 HA THR 116 HA THR 116 -6.874 -5.465 6.236 910 HB THR 116 HB THR 116 -6.203 -3.471 8.411 911 HG1 THR 116 HG1 THR 116 -5.894 -2.378 6.594 912 2HG2 THR 116 2HG2 THR 116 -4.495 -5.612 7.168 913 2HG2 THR 116 2HG2 THR 116 -5.086 -5.576 8.829 914 3HG2 THR 116 3HG2 THR 116 -3.934 -4.360 8.276 915 H ARG 117 HN ARG 117 -6.200 -7.096 7.820 916 HA ARG 117 HA ARG 117 -8.240 -7.465 9.919 917 1HB ARG 117 HB2 ARG 117 -8.458 -9.101 8.110 918 2HB ARG 117 HB1 ARG 117 -6.776 -9.566 8.314 919 1HG ARG 117 HG2 ARG 117 -8.270 -11.185 9.339 920 2HG ARG 117 HG1 ARG 117 -7.261 -10.396 10.552 921 1HD ARG 117 HD2 ARG 117 -9.115 -8.896 11.111 922 2HD ARG 117 HD1 ARG 117 -10.121 -9.691 9.901 923 HE ARG 117 HE ARG 117 -9.174 -11.635 11.674 924 1HH1 ARG 117 HH11 ARG 117 -11.322 -8.884 11.664 925 2HH1 ARG 117 HH12 ARG 117 -12.333 -9.511 12.922 926 1HH2 ARG 117 HH21 ARG 117 -10.504 -12.462 13.328 927 2HH2 ARG 117 HH22 ARG 117 -11.869 -11.543 13.866 928 H VAL 118 HN VAL 118 -6.688 -6.163 11.213 929 HA VAL 118 HA VAL 118 -4.898 -7.959 12.632 930 HB VAL 118 HB VAL 118 -3.130 -6.092 12.683 931 1HG1 VAL 118 1HG1 VAL 118 -1.931 -7.217 11.088 932 2HG1 VAL 118 2HG1 VAL 118 -3.290 -7.297 9.966 933 3HG1 VAL 118 3HG1 VAL 118 -3.235 -8.374 11.361 934 2HG2 VAL 118 2HG2 VAL 118 -3.368 -5.118 10.115 935 2HG2 VAL 118 2HG2 VAL 118 -3.693 -4.221 11.598 936 3HG2 VAL 118 3HG2 VAL 118 -5.014 -5.013 10.741 937 H ALA 119 HN ALA 119 -5.448 -4.426 12.589 938 HA ALA 119 HA ALA 119 -5.612 -4.374 15.460 939 1HB ALA 119 HB1 ALA 119 -6.411 -1.986 13.916 940 2HB ALA 119 HB2 ALA 119 -4.762 -2.562 13.675 941 3HB ALA 119 HB3 ALA 119 -5.319 -2.137 15.293 942 H LEU 120 HN LEU 120 -7.525 -2.486 15.985 943 HA LEU 120 HA LEU 120 -9.857 -4.004 16.225 944 1HB LEU 120 HB2 LEU 120 -9.556 -1.003 16.338 945 2HB LEU 120 HB1 LEU 120 -10.936 -1.907 16.931 946 HG LEU 120 HG LEU 120 -8.124 -2.058 18.019 947 1HD1 LEU 120 1HD1 LEU 120 -9.763 -0.028 18.435 948 2HD1 LEU 120 2HD1 LEU 120 -8.764 -0.693 19.727 949 3HD1 LEU 120 3HD1 LEU 120 -10.464 -1.148 19.604 950 1HD2 LEU 120 1HD2 LEU 120 -8.832 -4.135 18.571 951 2HD2 LEU 120 2HD2 LEU 120 -10.538 -3.712 18.429 952 3HD2 LEU 120 3HD2 LEU 120 -9.634 -3.258 19.873 953 HA PRO1135 HA PRO1135 17.723 -4.913 -11.131 954 1HB PRO1135 HB2 PRO1135 14.787 -4.949 -11.648 955 2HB PRO1135 HB1 PRO1135 15.904 -3.580 -11.596 956 1HG PRO1135 HG2 PRO1135 15.005 -4.507 -13.923 957 2HG PRO1135 HG1 PRO1135 16.684 -3.964 -13.747 958 1HD PRO1135 HD2 PRO1135 15.593 -6.738 -13.890 959 2HD PRO1135 HD1 PRO1135 17.120 -6.089 -14.523 960 H GLN1136 HN GLN1136 16.517 -4.470 -9.071 961 HA GLN1136 HA GLN1136 15.741 -7.018 -7.821 962 1HB GLN1136 HB2 GLN1136 16.819 -4.503 -6.531 963 2HB GLN1136 HB1 GLN1136 16.413 -5.991 -5.689 964 1HG GLN1136 HG2 GLN1136 18.146 -7.172 -6.946 965 2HG GLN1136 HG1 GLN1136 18.556 -5.676 -7.778 966 HA PRO1137 HA PRO1137 11.895 -4.352 -8.008 967 1HB PRO1137 HB2 PRO1137 10.245 -6.429 -8.667 968 2HB PRO1137 HB1 PRO1137 11.067 -5.415 -9.858 969 1HG PRO1137 HG2 PRO1137 11.827 -8.119 -8.824 970 2HG PRO1137 HG1 PRO1137 11.874 -7.501 -10.486 971 1HD PRO1137 HD2 PRO1137 14.090 -7.670 -8.965 972 2HD PRO1137 HD1 PRO1137 13.854 -6.357 -10.137 973 H GLU1138 HN GLU1138 11.102 -3.959 -6.047 974 HA GLU1138 HA GLU1138 10.341 -6.242 -4.362 975 1HB GLU1138 HB2 GLU1138 12.474 -5.272 -3.545 976 2HB GLU1138 HB1 GLU1138 11.673 -3.723 -3.357 977 1HG GLU1138 HG2 GLU1138 11.846 -4.838 -1.233 978 2HG GLU1138 HG1 GLU1138 10.157 -4.717 -1.718 979 2HN PTR1139 HN PTR1139 9.811 -2.866 -5.240 980 2HN PTR1139 HN PTR1139 9.811 -2.866 -5.240 981 HA PTR1139 HA PTR1139 7.506 -2.729 -3.541 982 HA PTR1139 HA PTR1139 7.506 -2.729 -3.541 983 1HB PTR1139 HB1 PTR1139 7.419 -0.387 -4.865 984 1HB PTR1139 HB1 PTR1139 7.419 -0.387 -4.865 985 2HB PTR1139 HB2 PTR1139 9.125 -0.787 -5.022 986 2HB PTR1139 HB2 PTR1139 9.125 -0.787 -5.022 987 HD1 PTR1139 HD1 PTR1139 6.418 -0.347 -2.540 988 HD1 PTR1139 HD1 PTR1139 6.418 -0.347 -2.540 989 HD2 PTR1139 HD2 PTR1139 10.617 -0.379 -3.212 990 HD2 PTR1139 HD2 PTR1139 10.617 -0.379 -3.212 991 HE1 PTR1139 HE1 PTR1139 6.793 0.521 -0.276 992 HE1 PTR1139 HE1 PTR1139 6.793 0.521 -0.276 993 HE2 PTR1139 HE2 PTR1139 10.992 0.510 -0.915 994 HE2 PTR1139 HE2 PTR1139 10.992 0.510 -0.915 995 H VAL1140 HN VAL1140 6.960 -0.949 -6.395 996 HA VAL1140 HA VAL1140 5.424 -3.092 -7.625 997 HB VAL1140 HB VAL1140 3.425 -1.414 -7.847 998 1HG1 VAL1140 1HG1 VAL1140 2.712 -3.324 -6.883 999 2HG1 VAL1140 2HG1 VAL1140 2.660 -2.299 -5.451 1000 3HG1 VAL1140 3HG1 VAL1140 4.041 -3.361 -5.721 1001 2HG2 VAL1140 2HG2 VAL1140 3.234 0.293 -6.414 1002 2HG2 VAL1140 2HG2 VAL1140 4.995 0.175 -6.363 1003 3HG2 VAL1140 3HG2 VAL1140 4.032 -0.581 -5.104 1004 H ASN1141 HN ASN1141 5.112 0.478 -8.079 1005 HA ASN1141 HA ASN1141 5.080 0.446 -10.807 1006 1HB ASN1141 HB2 ASN1141 7.017 2.306 -9.383 1007 2HB ASN1141 HB1 ASN1141 6.194 2.579 -10.901 1008 1HD2 ASN1141 1HD2 ASN1141 4.897 1.623 -7.682 1009 2HD2 ASN1141 2HD2 ASN1141 3.940 3.037 -7.458 1010 H GLN1142 HN GLN1142 7.568 0.075 -8.442 1011 HA GLN1142 HA GLN1142 8.696 -2.161 -9.307 1012 1HB GLN1142 HB2 GLN1142 10.794 -1.565 -10.361 1013 2HB GLN1142 HB1 GLN1142 9.453 -1.001 -11.323 1014 1HG GLN1142 HG2 GLN1142 11.050 0.737 -9.464 1015 2HG GLN1142 HG1 GLN1142 11.327 0.609 -11.199 1016 HA PRO1143 HA PRO1143 10.911 -1.364 -5.581 1017 1HB PRO1143 HB2 PRO1143 13.636 -1.344 -5.826 1018 2HB PRO1143 HB1 PRO1143 12.667 -2.817 -5.890 1019 1HG PRO1143 HG2 PRO1143 13.975 -1.319 -8.077 1020 2HG PRO1143 HG1 PRO1143 13.599 -3.044 -7.961 1021 1HD PRO1143 HD2 PRO1143 12.180 -1.125 -9.420 1022 2HD PRO1143 HD1 PRO1143 11.618 -2.759 -9.028 1023 H ASP1144 HN ASP1144 10.403 0.879 -7.412 1024 HA ASP1144 HA ASP1144 10.186 3.090 -7.046 1025 1HB ASP1144 HB2 ASP1144 12.657 3.030 -5.288 1026 2HB ASP1144 HB1 ASP1144 11.453 4.307 -5.396 Start of MODEL 6 1 1H GLY 1 HT1 GLY 1 24.959 5.088 -4.228 2 2H GLY 1 HT2 GLY 1 23.890 3.807 -4.506 3 3H GLY 1 HT3 GLY 1 25.557 3.524 -4.476 4 1HA GLY 1 HA1 GLY 1 24.605 2.756 -2.425 5 2HA GLY 1 HA2 GLY 1 25.637 4.146 -2.130 6 H SER 2 HN SER 2 22.522 2.831 -1.804 7 HA SER 2 HA SER 2 21.670 5.179 -0.340 8 1HB SER 2 HB2 SER 2 20.814 5.777 -2.491 9 2HB SER 2 HB1 SER 2 20.142 4.171 -2.746 10 HG SER 2 HG SER 2 18.565 4.588 -1.297 11 HA PRO 3 HA PRO 3 18.500 1.614 0.619 12 1HB PRO 3 HB2 PRO 3 19.151 -0.815 -0.526 13 2HB PRO 3 HB1 PRO 3 17.927 0.295 -1.151 14 1HG PRO 3 HG2 PRO 3 20.769 -0.072 -2.008 15 2HG PRO 3 HG1 PRO 3 19.321 0.174 -3.003 16 1HD PRO 3 HD2 PRO 3 21.021 2.178 -2.534 17 2HD PRO 3 HD1 PRO 3 19.270 2.458 -2.587 18 H ALA 4 HN ALA 4 19.805 2.011 2.505 19 HA ALA 4 HA ALA 4 21.321 -0.360 3.295 20 1HB ALA 4 HB1 ALA 4 23.221 0.793 2.859 21 2HB ALA 4 HB2 ALA 4 22.893 1.473 4.453 22 3HB ALA 4 HB3 ALA 4 22.432 2.363 3.002 23 H SER 5 HN SER 5 20.303 -1.077 5.041 24 HA SER 5 HA SER 5 18.994 0.823 6.839 25 1HB SER 5 HB2 SER 5 17.900 -1.171 7.804 26 2HB SER 5 HB1 SER 5 17.647 -1.068 6.061 27 HG SER 5 HG SER 5 18.289 -3.103 6.282 28 H GLY 6 HN GLY 6 19.126 0.327 9.214 29 1HA GLY 6 HA2 GLY 6 21.255 -1.149 10.316 30 2HA GLY 6 HA1 GLY 6 21.777 0.514 10.100 31 H THR 7 HN THR 7 19.812 2.075 10.822 32 HA THR 7 HA THR 7 19.359 1.367 13.627 33 HB THR 7 HB THR 7 18.892 3.774 13.938 34 HG1 THR 7 HG1 THR 7 18.129 4.479 12.033 35 1HG2 THR 7 1HG2 THR 7 21.045 4.405 14.045 36 2HG2 THR 7 2HG2 THR 7 21.391 3.904 12.391 37 3HG2 THR 7 3HG2 THR 7 21.331 2.704 13.682 38 H SER 8 HN SER 8 17.312 1.734 14.626 39 HA SER 8 HA SER 8 15.060 1.537 12.734 40 1HB SER 8 HB2 SER 8 13.878 0.269 14.494 41 2HB SER 8 HB1 SER 8 15.385 -0.518 14.025 42 HG SER 8 HG SER 8 15.431 -0.517 16.202 43 H LEU 9 HN LEU 9 13.186 2.702 13.131 44 HA LEU 9 HA LEU 9 13.416 4.794 15.195 45 1HB LEU 9 HB2 LEU 9 12.084 4.974 12.491 46 2HB LEU 9 HB1 LEU 9 12.100 6.243 13.701 47 HG LEU 9 HG LEU 9 14.512 5.151 12.250 48 1HD1 LEU 9 1HD1 LEU 9 13.379 7.925 12.089 49 2HD1 LEU 9 2HD1 LEU 9 12.866 6.639 10.997 50 3HD1 LEU 9 3HD1 LEU 9 14.554 7.148 11.027 51 1HD2 LEU 9 1HD2 LEU 9 15.421 7.367 13.390 52 2HD2 LEU 9 2HD2 LEU 9 15.480 5.803 14.203 53 3HD2 LEU 9 3HD2 LEU 9 14.197 6.950 14.588 54 H SER 10 HN SER 10 11.163 5.790 15.654 55 HA SER 10 HA SER 10 9.062 3.752 15.638 56 1HB SER 10 HB2 SER 10 10.216 3.466 17.779 57 2HB SER 10 HB1 SER 10 10.016 5.182 18.131 58 HG SER 10 HG SER 10 8.111 3.127 18.113 59 H ALA 11 HN ALA 11 7.273 4.635 14.868 60 HA ALA 11 HA ALA 11 6.667 7.435 15.536 61 1HB ALA 11 HB1 ALA 11 7.567 7.194 13.207 62 2HB ALA 11 HB2 ALA 11 5.959 7.911 13.315 63 3HB ALA 11 HB3 ALA 11 6.141 6.225 12.829 64 H ALA 12 HN ALA 12 4.651 7.781 16.251 65 HA ALA 12 HA ALA 12 2.535 5.875 15.609 66 1HB ALA 12 HB1 ALA 12 1.952 6.087 18.187 67 2HB ALA 12 HB2 ALA 12 3.701 6.287 18.307 68 3HB ALA 12 HB3 ALA 12 3.028 4.832 17.572 69 H ILE 13 HN ILE 13 2.581 8.275 14.488 70 HA ILE 13 HA ILE 13 1.225 10.260 16.076 71 HB ILE 13 HB ILE 13 2.794 10.913 14.292 72 1HG1 ILE 13 2HG1 ILE 13 -0.057 11.815 13.810 73 2HG1 ILE 13 1HG1 ILE 13 1.047 12.483 15.007 74 1HG2 ILE 13 1HG2 ILE 13 2.731 9.744 12.397 75 2HG2 ILE 13 2HG2 ILE 13 1.348 10.742 11.947 76 3HG2 ILE 13 3HG2 ILE 13 1.092 9.173 12.710 77 1HD1 ILE 13 1HD1 ILE 13 0.647 13.513 12.548 78 2HD1 ILE 13 2HD1 ILE 13 2.054 12.492 12.254 79 3HD1 ILE 13 3HD1 ILE 13 2.116 13.741 13.497 80 H HIS 14 HN HIS 14 -0.399 8.301 16.455 81 HA HIS 14 HA HIS 14 -2.625 8.686 14.563 82 1HB HIS 14 HB2 HIS 14 -1.997 6.194 16.159 83 2HB HIS 14 HB1 HIS 14 -3.356 6.400 15.059 84 HD1 HIS 14 HD1 HIS 14 0.417 6.819 14.767 85 HD2 HIS 14 HD2 HIS 14 -2.811 5.235 12.689 86 HE1 HIS 14 HE1 HIS 14 1.389 5.845 12.670 87 HE2 HIS 14 HE2 HIS 14 -0.594 4.973 11.379 88 H ARG 15 HN ARG 15 -4.429 9.506 15.399 89 HA ARG 15 HA ARG 15 -4.870 9.271 18.287 90 1HB ARG 15 HB2 ARG 15 -5.795 11.565 18.290 91 2HB ARG 15 HB1 ARG 15 -4.088 11.521 17.854 92 1HG ARG 15 HG2 ARG 15 -4.607 11.813 15.529 93 2HG ARG 15 HG1 ARG 15 -6.331 11.629 15.839 94 1HD ARG 15 HD2 ARG 15 -4.547 13.925 16.680 95 2HD ARG 15 HD1 ARG 15 -5.869 13.955 15.515 96 HE ARG 15 HE ARG 15 -6.928 13.113 17.944 97 1HH1 ARG 15 HH11 ARG 15 -5.440 15.965 16.592 98 2HH1 ARG 15 HH12 ARG 15 -6.298 17.056 17.626 99 1HH2 ARG 15 HH21 ARG 15 -8.058 14.546 19.306 100 2HH2 ARG 15 HH22 ARG 15 -7.785 16.252 19.168 101 H THR 16 HN THR 16 -5.931 8.254 15.541 102 HA THR 16 HA THR 16 -8.707 8.099 16.435 103 HB THR 16 HB THR 16 -9.532 8.511 14.139 104 HG1 THR 16 HG1 THR 16 -8.146 8.474 12.589 105 1HG2 THR 16 1HG2 THR 16 -8.712 10.973 13.957 106 2HG2 THR 16 2HG2 THR 16 -8.012 10.647 15.542 107 3HG2 THR 16 3HG2 THR 16 -9.748 10.473 15.293 108 H GLN 17 HN GLN 17 -9.674 6.687 14.197 109 HA GLN 17 HA GLN 17 -8.281 4.154 14.591 110 1HB GLN 17 HB2 GLN 17 -10.304 3.155 13.531 111 2HB GLN 17 HB1 GLN 17 -10.648 4.061 14.996 112 1HG GLN 17 HG2 GLN 17 -12.340 4.519 13.365 113 2HG GLN 17 HG1 GLN 17 -11.372 5.968 13.612 114 H LEU 18 HN LEU 18 -7.475 6.460 12.739 115 HA LEU 18 HA LEU 18 -7.822 5.795 10.073 116 1HB LEU 18 HB2 LEU 18 -5.923 7.139 9.583 117 2HB LEU 18 HB1 LEU 18 -6.750 7.873 10.943 118 HG LEU 18 HG LEU 18 -4.238 6.204 11.108 119 1HD1 LEU 18 1HD1 LEU 18 -4.765 9.106 10.887 120 2HD1 LEU 18 2HD1 LEU 18 -3.389 8.154 10.331 121 3HD1 LEU 18 3HD1 LEU 18 -3.522 8.600 12.032 122 1HD2 LEU 18 1HD2 LEU 18 -4.217 7.116 13.464 123 2HD2 LEU 18 2HD2 LEU 18 -5.423 5.875 13.124 124 3HD2 LEU 18 3HD2 LEU 18 -5.901 7.571 13.207 125 H TRP 19 HN TRP 19 -5.842 5.141 8.643 126 HA TRP 19 HA TRP 19 -4.427 2.852 9.785 127 1HB TRP 19 HB2 TRP 19 -5.052 1.766 7.410 128 2HB TRP 19 HB1 TRP 19 -6.017 1.520 8.859 129 HD1 TRP 19 HD1 TRP 19 -8.455 1.531 8.161 130 HE1 TRP 19 HE1 TRP 19 -9.954 2.979 6.656 131 HE3 TRP 19 HE3 TRP 19 -4.912 4.714 6.270 132 HZ2 TRP 19 HZ2 TRP 19 -9.681 5.166 4.906 133 HZ3 TRP 19 HZ3 TRP 19 -5.621 6.451 4.688 134 HH2 TRP 19 HH2 TRP 19 -7.957 6.672 4.018 135 H PHE 20 HN PHE 20 -3.119 5.107 9.392 136 HA PHE 20 HA PHE 20 -1.611 4.641 6.908 137 1HB PHE 20 HB2 PHE 20 -2.931 6.684 6.679 138 2HB PHE 20 HB1 PHE 20 -2.268 7.304 8.186 139 HD1 PHE 20 HD1 PHE 20 -0.700 8.942 7.949 140 HD2 PHE 20 HD2 PHE 20 -0.936 5.897 4.988 141 HE1 PHE 20 HE1 PHE 20 1.124 10.021 6.699 142 HE2 PHE 20 HE2 PHE 20 0.890 6.965 3.736 143 HZ PHE 20 HZ PHE 20 1.923 9.031 4.590 144 H HIS 21 HN HIS 21 0.392 3.998 7.322 145 HA HIS 21 HA HIS 21 1.881 5.259 9.505 146 1HB HIS 21 HB2 HIS 21 0.943 3.138 10.380 147 2HB HIS 21 HB1 HIS 21 1.765 2.260 9.092 148 HD1 HIS 21 HD1 HIS 21 3.026 4.910 11.528 149 HD2 HIS 21 HD2 HIS 21 3.866 1.037 10.287 150 HE1 HIS 21 HE1 HIS 21 5.094 4.234 12.787 151 HE2 HIS 21 HE2 HIS 21 5.535 1.856 12.083 152 H GLY 22 HN GLY 22 4.261 4.957 9.290 153 1HA GLY 22 HA2 GLY 22 4.989 4.836 6.453 154 2HA GLY 22 HA1 GLY 22 5.912 5.615 7.722 155 H ARG 23 HN ARG 23 7.462 4.548 8.721 156 HA ARG 23 HA ARG 23 8.908 2.584 7.683 157 1HB ARG 23 HB2 ARG 23 9.589 3.833 9.659 158 2HB ARG 23 HB1 ARG 23 8.418 2.969 10.639 159 1HG ARG 23 HG2 ARG 23 10.665 2.116 10.991 160 2HG ARG 23 HG1 ARG 23 9.625 0.887 10.272 161 1HD ARG 23 HD2 ARG 23 10.573 1.376 8.068 162 2HD ARG 23 HD1 ARG 23 11.607 2.609 8.787 163 HE ARG 23 HE ARG 23 13.050 0.951 9.357 164 1HH1 ARG 23 HH11 ARG 23 9.887 -0.476 8.971 165 2HH1 ARG 23 HH12 ARG 23 10.434 -2.082 9.314 166 1HH2 ARG 23 HH21 ARG 23 13.770 -1.162 9.797 167 2HH2 ARG 23 HH22 ARG 23 12.636 -2.473 9.779 168 H ILE 24 HN ILE 24 7.909 0.881 6.741 169 HA ILE 24 HA ILE 24 7.112 -1.262 8.534 170 HB ILE 24 HB ILE 24 5.315 -0.076 6.448 171 1HG1 ILE 24 2HG1 ILE 24 4.934 -0.995 9.294 172 2HG1 ILE 24 1HG1 ILE 24 5.062 0.670 8.743 173 1HG2 ILE 24 1HG2 ILE 24 5.322 -2.919 7.421 174 2HG2 ILE 24 2HG2 ILE 24 5.272 -2.327 5.761 175 3HG2 ILE 24 3HG2 ILE 24 3.865 -2.138 6.807 176 1HD1 ILE 24 1HD1 ILE 24 2.741 -0.805 9.104 177 2HD1 ILE 24 2HD1 ILE 24 2.952 -0.710 7.357 178 3HD1 ILE 24 3HD1 ILE 24 2.892 0.767 8.319 179 H SER 25 HN SER 25 9.002 -2.288 7.960 180 HA SER 25 HA SER 25 10.188 -2.630 5.530 181 1HB SER 25 HB2 SER 25 9.902 -4.710 7.711 182 2HB SER 25 HB1 SER 25 11.081 -4.775 6.403 183 HG SER 25 HG SER 25 11.912 -3.871 8.368 184 H ARG 26 HN ARG 26 8.858 -2.877 3.741 185 HA ARG 26 HA ARG 26 6.654 -4.504 3.488 186 1HB ARG 26 HB2 ARG 26 7.454 -4.672 0.965 187 2HB ARG 26 HB1 ARG 26 6.806 -3.181 1.627 188 1HG ARG 26 HG2 ARG 26 8.607 -2.334 0.629 189 2HG ARG 26 HG1 ARG 26 9.382 -2.767 2.140 190 1HD ARG 26 HD2 ARG 26 10.389 -4.670 1.156 191 2HD ARG 26 HD1 ARG 26 9.353 -4.562 -0.271 192 HE ARG 26 HE ARG 26 10.876 -3.106 -1.146 193 1HH1 ARG 26 HH11 ARG 26 11.204 -3.058 2.333 194 2HH1 ARG 26 HH12 ARG 26 12.341 -1.754 2.334 195 1HH2 ARG 26 HH21 ARG 26 12.354 -1.366 -1.133 196 2HH2 ARG 26 HH22 ARG 26 12.996 -0.799 0.373 197 H GLU 27 HN GLU 27 9.957 -5.441 2.485 198 HA GLU 27 HA GLU 27 9.439 -8.008 1.698 199 1HB GLU 27 HB2 GLU 27 11.771 -8.566 2.275 200 2HB GLU 27 HB1 GLU 27 11.632 -7.049 1.403 201 1HG GLU 27 HG2 GLU 27 11.846 -7.164 4.393 202 2HG GLU 27 HG1 GLU 27 13.257 -7.131 3.342 203 H GLU 28 HN GLU 28 10.023 -6.916 5.029 204 HA GLU 28 HA GLU 28 9.744 -9.588 6.077 205 1HB GLU 28 HB2 GLU 28 9.838 -6.918 7.492 206 2HB GLU 28 HB1 GLU 28 9.894 -8.485 8.285 207 1HG GLU 28 HG2 GLU 28 11.935 -7.401 6.357 208 2HG GLU 28 HG1 GLU 28 12.107 -7.511 8.109 209 H SER 29 HN SER 29 7.758 -6.722 5.765 210 HA SER 29 HA SER 29 5.638 -7.432 7.426 211 1HB SER 29 HB2 SER 29 5.871 -5.187 6.501 212 2HB SER 29 HB1 SER 29 5.598 -5.806 4.874 213 HG SER 29 HG SER 29 3.501 -6.431 5.555 214 H GLN 30 HN GLN 30 6.449 -8.497 4.195 215 HA GLN 30 HA GLN 30 3.966 -9.486 3.418 216 1HB GLN 30 HB2 GLN 30 6.451 -10.981 2.679 217 2HB GLN 30 HB1 GLN 30 5.028 -10.637 1.703 218 1HG GLN 30 HG2 GLN 30 7.220 -8.733 2.451 219 2HG GLN 30 HG1 GLN 30 6.846 -9.377 0.856 220 H ARG 31 HN ARG 31 6.377 -10.786 5.563 221 HA ARG 31 HA ARG 31 5.232 -13.405 5.726 222 1HB ARG 31 HB2 ARG 31 7.619 -12.974 6.179 223 2HB ARG 31 HB1 ARG 31 7.173 -12.012 7.580 224 1HG ARG 31 HG2 ARG 31 7.838 -14.118 8.398 225 2HG ARG 31 HG1 ARG 31 6.079 -14.079 8.511 226 1HD ARG 31 HD2 ARG 31 7.607 -15.339 6.238 227 2HD ARG 31 HD1 ARG 31 7.020 -16.226 7.642 228 HE ARG 31 HE ARG 31 5.514 -15.469 5.370 229 1HH1 ARG 31 HH11 ARG 31 5.265 -15.817 8.836 230 2HH1 ARG 31 HH12 ARG 31 3.553 -16.068 8.812 231 1HH2 ARG 31 HH21 ARG 31 3.262 -15.803 5.339 232 2HH2 ARG 31 HH22 ARG 31 2.415 -16.062 6.828 233 H LEU 32 HN LEU 32 5.049 -10.441 7.653 234 HA LEU 32 HA LEU 32 3.498 -11.624 9.743 235 1HB LEU 32 HB2 LEU 32 3.970 -8.746 8.980 236 2HB LEU 32 HB1 LEU 32 3.041 -9.233 10.384 237 HG LEU 32 HG LEU 32 5.061 -10.384 11.272 238 1HD1 LEU 32 1HD1 LEU 32 6.329 -9.156 8.840 239 2HD1 LEU 32 2HD1 LEU 32 6.304 -10.855 9.311 240 3HD1 LEU 32 3HD1 LEU 32 7.247 -9.695 10.246 241 1HD2 LEU 32 1HD2 LEU 32 4.370 -7.955 11.734 242 2HD2 LEU 32 2HD2 LEU 32 5.722 -7.519 10.688 243 3HD2 LEU 32 3HD2 LEU 32 6.009 -8.448 12.160 244 H ILE 33 HN ILE 33 2.592 -9.189 7.296 245 HA ILE 33 HA ILE 33 -0.201 -9.530 7.753 246 HB ILE 33 HB ILE 33 1.299 -8.169 5.508 247 1HG1 ILE 33 2HG1 ILE 33 0.480 -6.106 6.637 248 2HG1 ILE 33 1HG1 ILE 33 -0.198 -7.106 7.917 249 1HG2 ILE 33 1HG2 ILE 33 -1.595 -8.665 5.879 250 2HG2 ILE 33 2HG2 ILE 33 -0.658 -8.460 4.400 251 3HG2 ILE 33 3HG2 ILE 33 -1.120 -7.050 5.353 252 1HD1 ILE 33 1HD1 ILE 33 2.713 -7.221 7.240 253 2HD1 ILE 33 2HD1 ILE 33 1.899 -7.687 8.732 254 3HD1 ILE 33 3HD1 ILE 33 2.063 -5.982 8.313 255 H GLY 34 HN GLY 34 2.000 -11.516 6.189 256 1HA GLY 34 HA2 GLY 34 0.054 -12.433 4.199 257 2HA GLY 34 HA1 GLY 34 1.741 -12.922 4.296 258 H GLN 35 HN GLN 35 -0.160 -12.788 7.140 259 HA GLN 35 HA GLN 35 -0.287 -15.717 7.226 260 1HB GLN 35 HB2 GLN 35 -0.228 -15.586 9.615 261 2HB GLN 35 HB1 GLN 35 1.065 -14.557 9.020 262 1HG GLN 35 HG2 GLN 35 0.105 -13.316 10.726 263 2HG GLN 35 HG1 GLN 35 -0.608 -12.636 9.266 264 H GLN 36 HN GLN 36 -2.044 -12.859 6.796 265 HA GLN 36 HA GLN 36 -4.453 -13.528 8.114 266 1HB GLN 36 HB2 GLN 36 -3.529 -11.460 6.304 267 2HB GLN 36 HB1 GLN 36 -5.186 -11.944 5.955 268 1HG GLN 36 HG2 GLN 36 -5.976 -11.002 7.814 269 2HG GLN 36 HG1 GLN 36 -4.641 -11.601 8.795 270 H GLY 37 HN GLY 37 -6.270 -14.619 7.408 271 1HA GLY 37 HA2 GLY 37 -5.864 -16.276 5.016 272 2HA GLY 37 HA1 GLY 37 -6.980 -16.624 6.332 273 H LEU 38 HN LEU 38 -7.108 -13.375 5.369 274 HA LEU 38 HA LEU 38 -9.741 -13.763 4.267 275 1HB LEU 38 HB2 LEU 38 -8.092 -11.265 4.649 276 2HB LEU 38 HB1 LEU 38 -9.748 -11.286 4.075 277 HG LEU 38 HG LEU 38 -9.698 -10.698 6.419 278 1HD1 LEU 38 1HD1 LEU 38 -11.561 -12.080 5.542 279 2HD1 LEU 38 2HD1 LEU 38 -11.268 -12.301 7.268 280 3HD1 LEU 38 3HD1 LEU 38 -10.715 -13.517 6.117 281 1HD2 LEU 38 1HD2 LEU 38 -8.742 -12.010 8.111 282 2HD2 LEU 38 2HD2 LEU 38 -7.526 -11.961 6.835 283 3HD2 LEU 38 3HD2 LEU 38 -8.533 -13.394 7.039 284 H VAL 39 HN VAL 39 -10.253 -12.246 2.286 285 HA VAL 39 HA VAL 39 -8.765 -13.320 0.081 286 HB VAL 39 HB VAL 39 -10.414 -12.201 -1.341 287 1HG1 VAL 39 1HG1 VAL 39 -12.328 -13.498 -0.691 288 2HG1 VAL 39 2HG1 VAL 39 -11.744 -13.610 0.969 289 3HG1 VAL 39 3HG1 VAL 39 -10.873 -14.426 -0.328 290 1HG2 VAL 39 1HG2 VAL 39 -10.934 -10.750 1.152 291 2HG2 VAL 39 2HG2 VAL 39 -12.388 -11.282 0.306 292 3HG2 VAL 39 3HG2 VAL 39 -11.208 -10.267 -0.522 293 H ASP 40 HN ASP 40 -8.477 -11.757 -1.854 294 HA ASP 40 HA ASP 40 -6.389 -9.964 -1.132 295 1HB ASP 40 HB2 ASP 40 -7.796 -9.867 -3.788 296 2HB ASP 40 HB1 ASP 40 -6.093 -9.605 -3.431 297 H GLY 41 HN GLY 41 -8.288 -9.182 0.416 298 1HA GLY 41 HA2 GLY 41 -9.145 -6.612 -0.778 299 2HA GLY 41 HA1 GLY 41 -10.318 -7.601 0.081 300 H LEU 42 HN LEU 42 -7.457 -8.037 1.664 301 HA LEU 42 HA LEU 42 -8.234 -5.983 3.595 302 1HB LEU 42 HB2 LEU 42 -6.584 -8.485 3.855 303 2HB LEU 42 HB1 LEU 42 -6.613 -7.260 5.107 304 HG LEU 42 HG LEU 42 -8.141 -9.185 5.524 305 1HD1 LEU 42 1HD1 LEU 42 -9.733 -7.886 6.531 306 2HD1 LEU 42 2HD1 LEU 42 -9.884 -6.802 5.149 307 3HD1 LEU 42 3HD1 LEU 42 -8.490 -6.674 6.223 308 1HD2 LEU 42 1HD2 LEU 42 -9.695 -8.064 3.198 309 2HD2 LEU 42 2HD2 LEU 42 -10.172 -9.403 4.237 310 3HD2 LEU 42 3HD2 LEU 42 -8.776 -9.568 3.172 311 H PHE 43 HN PHE 43 -7.402 -4.187 2.864 312 HA PHE 43 HA PHE 43 -4.511 -4.110 2.315 313 1HB PHE 43 HB2 PHE 43 -4.885 -2.235 0.873 314 2HB PHE 43 HB1 PHE 43 -6.029 -3.497 0.433 315 HD1 PHE 43 HD1 PHE 43 -7.593 -2.519 3.213 316 HD2 PHE 43 HD2 PHE 43 -6.461 -0.826 -0.522 317 HE1 PHE 43 HE1 PHE 43 -9.416 -0.891 3.408 318 HE2 PHE 43 HE2 PHE 43 -8.291 0.804 -0.331 319 HZ PHE 43 HZ PHE 43 -9.770 0.776 1.634 320 H LEU 44 HN LEU 44 -3.335 -2.182 2.843 321 HA LEU 44 HA LEU 44 -4.431 -0.497 4.967 322 1HB LEU 44 HB2 LEU 44 -3.224 -2.340 6.094 323 2HB LEU 44 HB1 LEU 44 -1.785 -1.951 5.172 324 HG LEU 44 HG LEU 44 -1.728 0.294 6.289 325 1HD1 LEU 44 1HD1 LEU 44 -4.312 -0.130 6.901 326 2HD1 LEU 44 2HD1 LEU 44 -3.265 0.978 7.788 327 3HD1 LEU 44 3HD1 LEU 44 -3.554 -0.647 8.407 328 1HD2 LEU 44 1HD2 LEU 44 -1.455 -2.300 7.720 329 2HD2 LEU 44 2HD2 LEU 44 -1.317 -0.812 8.656 330 3HD2 LEU 44 3HD2 LEU 44 -0.232 -1.103 7.297 331 H VAL 45 HN VAL 45 -3.516 1.595 4.983 332 HA VAL 45 HA VAL 45 -1.858 2.162 2.624 333 HB VAL 45 HB VAL 45 -3.394 4.096 4.374 334 1HG1 VAL 45 1HG1 VAL 45 -1.350 5.010 3.244 335 2HG1 VAL 45 2HG1 VAL 45 -2.861 5.783 2.766 336 3HG1 VAL 45 3HG1 VAL 45 -2.097 4.605 1.698 337 1HG2 VAL 45 1HG2 VAL 45 -4.871 4.298 2.380 338 2HG2 VAL 45 2HG2 VAL 45 -4.928 2.712 3.148 339 3HG2 VAL 45 3HG2 VAL 45 -4.010 2.939 1.658 340 H ARG 46 HN ARG 46 0.074 1.421 3.523 341 HA ARG 46 HA ARG 46 1.201 3.194 5.583 342 1HB ARG 46 HB2 ARG 46 2.439 1.381 6.496 343 2HB ARG 46 HB1 ARG 46 0.802 0.780 6.287 344 1HG ARG 46 HG2 ARG 46 2.257 -0.948 5.580 345 2HG ARG 46 HG1 ARG 46 1.580 -0.240 4.110 346 1HD ARG 46 HD2 ARG 46 3.555 0.946 3.654 347 2HD ARG 46 HD1 ARG 46 4.196 0.663 5.261 348 HE ARG 46 HE ARG 46 3.812 -1.726 3.715 349 1HH1 ARG 46 HH11 ARG 46 5.956 0.869 4.587 350 2HH1 ARG 46 HH12 ARG 46 7.375 0.088 3.985 351 1HH2 ARG 46 HH21 ARG 46 5.716 -2.764 2.916 352 2HH2 ARG 46 HH22 ARG 46 7.240 -1.950 3.041 353 H GLU 47 HN GLU 47 3.681 3.338 5.414 354 HA GLU 47 HA GLU 47 4.550 2.848 2.684 355 1HB GLU 47 HB2 GLU 47 5.325 5.115 2.327 356 2HB GLU 47 HB1 GLU 47 3.600 5.103 2.626 357 1HG GLU 47 HG2 GLU 47 5.572 5.675 4.804 358 2HG GLU 47 HG1 GLU 47 4.969 6.933 3.728 359 H SER 48 HN SER 48 6.899 4.604 3.087 360 HA SER 48 HA SER 48 8.250 3.098 5.198 361 1HB SER 48 HB2 SER 48 10.178 2.716 3.746 362 2HB SER 48 HB1 SER 48 8.734 2.001 3.033 363 HG SER 48 HG SER 48 9.635 3.099 1.392 364 H GLN 49 HN GLN 49 9.884 4.152 6.206 365 HA GLN 49 HA GLN 49 10.028 7.026 5.672 366 1HB GLN 49 HB2 GLN 49 10.899 7.236 7.938 367 2HB GLN 49 HB1 GLN 49 9.406 6.301 7.963 368 1HG GLN 49 HG2 GLN 49 10.912 5.255 9.450 369 2HG GLN 49 HG1 GLN 49 10.809 4.232 8.019 370 H ARG 50 HN ARG 50 11.382 4.641 4.323 371 HA ARG 50 HA ARG 50 14.187 5.438 4.633 372 1HB ARG 50 HB2 ARG 50 13.746 3.046 4.953 373 2HB ARG 50 HB1 ARG 50 12.987 2.964 3.370 374 1HG ARG 50 HG2 ARG 50 15.113 3.526 2.312 375 2HG ARG 50 HG1 ARG 50 15.876 3.622 3.901 376 1HD ARG 50 HD2 ARG 50 14.588 1.170 2.704 377 2HD ARG 50 HD1 ARG 50 16.322 1.475 2.809 378 HE ARG 50 HE ARG 50 14.667 0.433 4.850 379 1HH1 ARG 50 HH11 ARG 50 17.395 2.553 4.347 380 2HH1 ARG 50 HH12 ARG 50 18.014 2.340 5.949 381 1HH2 ARG 50 HH21 ARG 50 15.484 0.149 6.955 382 2HH2 ARG 50 HH22 ARG 50 16.932 0.974 7.429 383 H ASN 51 HN ASN 51 11.545 5.073 2.303 384 HA ASN 51 HA ASN 51 13.223 5.883 0.099 385 1HB ASN 51 HB2 ASN 51 10.215 5.643 0.244 386 2HB ASN 51 HB1 ASN 51 11.180 5.778 -1.224 387 1HD2 ASN 51 1HD2 ASN 51 13.086 3.982 0.690 388 2HD2 ASN 51 2HD2 ASN 51 12.525 2.404 0.290 389 HA PRO 52 HA PRO 52 13.234 10.282 0.826 390 1HB PRO 52 HB2 PRO 52 12.851 10.279 -2.146 391 2HB PRO 52 HB1 PRO 52 13.961 11.237 -1.159 392 1HG PRO 52 HG2 PRO 52 14.826 9.102 -2.503 393 2HG PRO 52 HG1 PRO 52 15.449 9.483 -0.888 394 1HD PRO 52 HD2 PRO 52 13.598 7.328 -1.739 395 2HD PRO 52 HD1 PRO 52 14.716 7.380 -0.362 396 H GLN 53 HN GLN 53 10.874 8.757 -1.282 397 HA GLN 53 HA GLN 53 8.742 10.320 -0.099 398 1HB GLN 53 HB2 GLN 53 7.808 11.040 -2.238 399 2HB GLN 53 HB1 GLN 53 9.412 11.710 -2.005 400 1HG GLN 53 HG2 GLN 53 8.731 9.351 -3.749 401 2HG GLN 53 HG1 GLN 53 9.039 10.990 -4.303 402 H GLY 54 HN GLY 54 8.775 7.965 0.658 403 1HA GLY 54 HA2 GLY 54 7.539 6.177 -1.299 404 2HA GLY 54 HA1 GLY 54 8.247 5.695 0.229 405 H PHE 55 HN PHE 55 5.473 6.071 -1.433 406 HA PHE 55 HA PHE 55 3.813 5.944 0.992 407 1HB PHE 55 HB2 PHE 55 3.220 7.546 -1.514 408 2HB PHE 55 HB1 PHE 55 2.024 7.186 -0.273 409 HD1 PHE 55 HD1 PHE 55 5.514 8.524 -0.408 410 HD2 PHE 55 HD2 PHE 55 1.582 8.894 1.176 411 HE1 PHE 55 HE1 PHE 55 6.215 10.514 0.854 412 HE2 PHE 55 HE2 PHE 55 2.274 10.890 2.435 413 HZ PHE 55 HZ PHE 55 4.593 11.703 2.275 414 H VAL 56 HN VAL 56 2.894 4.011 1.024 415 HA VAL 56 HA VAL 56 2.202 2.727 -1.524 416 HB VAL 56 HB VAL 56 3.710 1.103 -1.087 417 1HG1 VAL 56 1HG1 VAL 56 5.179 1.147 0.635 418 2HG1 VAL 56 2HG1 VAL 56 3.946 1.509 1.833 419 3HG1 VAL 56 3HG1 VAL 56 4.550 2.786 0.779 420 1HG2 VAL 56 1HG2 VAL 56 3.110 -0.630 0.488 421 2HG2 VAL 56 2HG2 VAL 56 1.670 -0.063 -0.345 422 3HG2 VAL 56 3HG2 VAL 56 1.997 0.456 1.308 423 H LEU 57 HN LEU 57 0.627 1.209 -1.567 424 HA LEU 57 HA LEU 57 -1.323 1.268 0.627 425 1HB LEU 57 HB2 LEU 57 -2.017 2.233 -1.694 426 2HB LEU 57 HB1 LEU 57 -1.984 0.565 -2.231 427 HG LEU 57 HG LEU 57 -3.807 1.823 -0.198 428 1HD1 LEU 57 1HD1 LEU 57 -4.581 2.054 -2.436 429 2HD1 LEU 57 2HD1 LEU 57 -5.532 0.781 -1.670 430 3HD1 LEU 57 3HD1 LEU 57 -4.237 0.362 -2.792 431 1HD2 LEU 57 1HD2 LEU 57 -3.000 -0.281 0.740 432 2HD2 LEU 57 2HD2 LEU 57 -3.451 -1.122 -0.745 433 3HD2 LEU 57 3HD2 LEU 57 -4.696 -0.395 0.271 434 H SER 58 HN SER 58 -1.228 -0.653 1.665 435 HA SER 58 HA SER 58 0.050 -2.887 0.290 436 1HB SER 58 HB2 SER 58 -0.694 -2.718 3.213 437 2HB SER 58 HB1 SER 58 0.489 -3.787 2.459 438 HG SER 58 HG SER 58 0.708 -0.962 2.433 439 H LEU 59 HN LEU 59 -0.895 -4.763 -0.158 440 HA LEU 59 HA LEU 59 -3.769 -4.985 0.390 441 1HB LEU 59 HB2 LEU 59 -2.107 -6.326 -1.746 442 2HB LEU 59 HB1 LEU 59 -3.847 -6.460 -1.563 443 HG LEU 59 HG LEU 59 -2.386 -3.881 -2.145 444 1HD1 LEU 59 1HD1 LEU 59 -2.896 -4.094 -4.385 445 2HD1 LEU 59 2HD1 LEU 59 -4.130 -5.318 -4.097 446 3HD1 LEU 59 3HD1 LEU 59 -2.424 -5.735 -3.949 447 1HD2 LEU 59 1HD2 LEU 59 -5.222 -4.606 -1.650 448 2HD2 LEU 59 2HD2 LEU 59 -4.878 -3.376 -2.866 449 3HD2 LEU 59 3HD2 LEU 59 -4.329 -3.151 -1.205 450 H CYS 60 HN CYS 60 -4.516 -7.387 0.425 451 HA CYS 60 HA CYS 60 -2.627 -9.127 1.754 452 1HB CYS 60 HB2 CYS 60 -3.810 -7.894 3.579 453 2HB CYS 60 HB1 CYS 60 -5.332 -8.490 2.932 454 HG CYS 60 HG CYS 60 -4.243 -9.838 5.330 455 H HIS 61 HN HIS 61 -2.686 -10.221 -0.079 456 HA HIS 61 HA HIS 61 -5.194 -11.151 -1.096 457 1HB HIS 61 HB2 HIS 61 -3.981 -10.534 -2.827 458 2HB HIS 61 HB1 HIS 61 -2.459 -10.726 -2.005 459 HD1 HIS 61 HD1 HIS 61 -1.525 -11.585 -4.266 460 HD2 HIS 61 HD2 HIS 61 -4.507 -14.008 -2.706 461 HE1 HIS 61 HE1 HIS 61 -1.477 -13.683 -5.638 462 HE2 HIS 61 HE2 HIS 61 -3.404 -15.051 -4.780 463 H LEU 62 HN LEU 62 -5.448 -13.526 -1.559 464 HA LEU 62 HA LEU 62 -4.545 -14.932 0.839 465 1HB LEU 62 HB2 LEU 62 -6.259 -16.644 0.273 466 2HB LEU 62 HB1 LEU 62 -6.898 -15.045 0.577 467 HG LEU 62 HG LEU 62 -7.989 -16.297 -1.297 468 1HD1 LEU 62 1HD1 LEU 62 -8.618 -14.310 -2.027 469 2HD1 LEU 62 2HD1 LEU 62 -7.062 -14.057 -2.816 470 3HD1 LEU 62 3HD1 LEU 62 -7.281 -13.590 -1.130 471 1HD2 LEU 62 1HD2 LEU 62 -5.410 -15.757 -2.754 472 2HD2 LEU 62 2HD2 LEU 62 -6.873 -16.472 -3.427 473 3HD2 LEU 62 3HD2 LEU 62 -5.952 -17.341 -2.200 474 H GLN 63 HN GLN 63 -2.676 -14.526 -0.761 475 HA GLN 63 HA GLN 63 -1.702 -17.129 -0.962 476 1HB GLN 63 HB2 GLN 63 -1.530 -15.399 -3.435 477 2HB GLN 63 HB1 GLN 63 -0.734 -16.947 -3.225 478 1HG GLN 63 HG2 GLN 63 -3.711 -16.527 -3.248 479 2HG GLN 63 HG1 GLN 63 -2.754 -17.083 -4.616 480 H LYS 64 HN LYS 64 -1.335 -13.693 -1.378 481 HA LYS 64 HA LYS 64 0.998 -13.753 0.296 482 1HB LYS 64 HB2 LYS 64 2.439 -12.507 -1.259 483 2HB LYS 64 HB1 LYS 64 2.015 -14.088 -1.899 484 1HG LYS 64 HG2 LYS 64 0.325 -13.069 -3.330 485 2HG LYS 64 HG1 LYS 64 0.730 -11.480 -2.680 486 1HD LYS 64 HD2 LYS 64 1.808 -11.842 -4.839 487 2HD LYS 64 HD1 LYS 64 3.006 -11.700 -3.550 488 1HE LYS 64 HE2 LYS 64 3.567 -13.512 -5.088 489 2HE LYS 64 HE1 LYS 64 3.225 -14.127 -3.473 490 1HZ LYS 64 HZ1 LYS 64 1.248 -15.053 -4.148 491 2HZ LYS 64 HZ2 LYS 64 2.203 -15.288 -5.524 492 3HZ LYS 64 HZ3 LYS 64 1.078 -14.027 -5.482 493 H VAL 65 HN VAL 65 1.887 -11.221 0.034 494 HA VAL 65 HA VAL 65 -0.383 -9.391 0.086 495 HB VAL 65 HB VAL 65 0.341 -8.329 2.161 496 1HG1 VAL 65 1HG1 VAL 65 -0.642 -11.066 2.019 497 2HG1 VAL 65 2HG1 VAL 65 -1.233 -9.697 2.961 498 3HG1 VAL 65 3HG1 VAL 65 0.101 -10.674 3.566 499 1HG2 VAL 65 1HG2 VAL 65 2.364 -10.557 2.310 500 2HG2 VAL 65 2HG2 VAL 65 2.018 -9.405 3.601 501 3HG2 VAL 65 3HG2 VAL 65 2.702 -8.842 2.075 502 H LYS 66 HN LYS 66 0.315 -7.150 -0.328 503 HA LYS 66 HA LYS 66 3.145 -6.961 -1.097 504 1HB LYS 66 HB2 LYS 66 2.423 -5.885 -3.267 505 2HB LYS 66 HB1 LYS 66 2.152 -7.617 -3.126 506 1HG LYS 66 HG2 LYS 66 -0.204 -6.624 -2.203 507 2HG LYS 66 HG1 LYS 66 0.233 -5.427 -3.419 508 1HD LYS 66 HD2 LYS 66 -0.050 -8.404 -3.809 509 2HD LYS 66 HD1 LYS 66 -1.097 -7.140 -4.454 510 1HE LYS 66 HE2 LYS 66 0.711 -6.311 -5.837 511 2HE LYS 66 HE1 LYS 66 1.818 -7.493 -5.143 512 1HZ LYS 66 HZ1 LYS 66 0.587 -7.912 -7.413 513 2HZ LYS 66 HZ2 LYS 66 -0.632 -8.487 -6.391 514 3HZ LYS 66 HZ3 LYS 66 0.910 -9.178 -6.337 515 H HIS 67 HN HIS 67 3.584 -4.680 -2.072 516 HA HIS 67 HA HIS 67 2.215 -2.573 -0.557 517 1HB HIS 67 HB2 HIS 67 5.197 -3.087 -0.548 518 2HB HIS 67 HB1 HIS 67 4.414 -1.689 0.180 519 HD1 HIS 67 HD1 HIS 67 2.508 -2.437 2.063 520 HD2 HIS 67 HD2 HIS 67 5.549 -5.126 1.194 521 HE1 HIS 67 HE1 HIS 67 2.547 -4.051 3.989 522 HE2 HIS 67 HE2 HIS 67 4.308 -5.741 3.377 523 H TYR 68 HN TYR 68 1.749 -0.897 -1.890 524 HA TYR 68 HA TYR 68 3.277 -0.640 -4.377 525 1HB TYR 68 HB2 TYR 68 0.480 0.268 -3.714 526 2HB TYR 68 HB1 TYR 68 1.280 0.576 -5.244 527 HD1 TYR 68 HD1 TYR 68 -0.958 -0.493 -5.996 528 HD2 TYR 68 HD2 TYR 68 2.136 -2.670 -4.063 529 HE1 TYR 68 HE1 TYR 68 -1.877 -2.588 -6.894 530 HE2 TYR 68 HE2 TYR 68 1.230 -4.766 -4.948 531 HH TYR 68 HH TYR 68 -0.346 -5.297 -7.201 532 H LEU 69 HN LEU 69 4.976 0.862 -3.781 533 HA LEU 69 HA LEU 69 3.944 3.570 -3.367 534 1HB LEU 69 HB2 LEU 69 5.100 4.147 -1.495 535 2HB LEU 69 HB1 LEU 69 4.681 2.502 -1.152 536 HG LEU 69 HG LEU 69 7.000 1.876 -1.820 537 1HD1 LEU 69 1HD1 LEU 69 8.264 4.326 -1.239 538 2HD1 LEU 69 2HD1 LEU 69 7.212 4.542 -2.635 539 3HD1 LEU 69 3HD1 LEU 69 8.450 3.276 -2.639 540 1HD2 LEU 69 1HD2 LEU 69 6.293 3.511 0.540 541 2HD2 LEU 69 2HD2 LEU 69 7.974 3.032 0.309 542 3HD2 LEU 69 3HD2 LEU 69 6.721 1.808 0.433 543 H ILE 70 HN ILE 70 4.808 4.975 -4.694 544 HA ILE 70 HA ILE 70 7.684 4.742 -5.025 545 HB ILE 70 HB ILE 70 5.943 4.503 -7.445 546 1HG1 ILE 70 2HG1 ILE 70 8.320 3.016 -6.316 547 2HG1 ILE 70 1HG1 ILE 70 6.653 2.460 -6.316 548 1HG2 ILE 70 1HG2 ILE 70 7.342 5.870 -8.550 549 2HG2 ILE 70 2HG2 ILE 70 8.572 4.632 -8.322 550 3HG2 ILE 70 3HG2 ILE 70 8.446 5.966 -7.180 551 1HD1 ILE 70 1HD1 ILE 70 6.743 1.787 -8.440 552 2HD1 ILE 70 2HD1 ILE 70 8.472 1.712 -8.118 553 3HD1 ILE 70 3HD1 ILE 70 7.788 3.110 -8.945 554 H LEU 71 HN LEU 71 4.838 6.503 -5.819 555 HA LEU 71 HA LEU 71 6.350 8.948 -5.224 556 1HB LEU 71 HB2 LEU 71 4.509 9.242 -7.490 557 2HB LEU 71 HB1 LEU 71 6.062 9.983 -7.202 558 HG LEU 71 HG LEU 71 7.061 7.689 -7.786 559 1HD1 LEU 71 1HD1 LEU 71 5.552 6.474 -9.448 560 2HD1 LEU 71 2HD1 LEU 71 4.221 7.341 -8.686 561 3HD1 LEU 71 3HD1 LEU 71 5.218 6.245 -7.733 562 1HD2 LEU 71 1HD2 LEU 71 6.604 8.173 -10.300 563 2HD2 LEU 71 2HD2 LEU 71 7.494 9.348 -9.331 564 3HD2 LEU 71 3HD2 LEU 71 5.787 9.611 -9.685 565 HA PRO 72 HA PRO 72 2.606 9.766 -2.903 566 1HB PRO 72 HB2 PRO 72 3.360 12.207 -1.968 567 2HB PRO 72 HB1 PRO 72 3.968 10.697 -1.291 568 1HG PRO 72 HG2 PRO 72 5.257 12.547 -3.256 569 2HG PRO 72 HG1 PRO 72 5.972 11.726 -1.856 570 1HD PRO 72 HD2 PRO 72 6.281 10.826 -4.392 571 2HD PRO 72 HD1 PRO 72 6.219 9.737 -2.992 572 H SER 73 HN SER 73 1.737 12.467 -2.629 573 HA SER 73 HA SER 73 0.498 12.829 -5.207 574 1HB SER 73 HB2 SER 73 -0.769 14.632 -4.092 575 2HB SER 73 HB1 SER 73 -0.825 13.133 -3.164 576 HG SER 73 HG SER 73 1.004 15.243 -2.666 577 H GLU 74 HN GLU 74 1.410 13.965 -6.799 578 HA GLU 74 HA GLU 74 3.374 16.035 -6.083 579 1HB GLU 74 HB2 GLU 74 2.973 14.449 -8.612 580 2HB GLU 74 HB1 GLU 74 4.011 15.866 -8.543 581 1HG GLU 74 HG2 GLU 74 5.350 13.897 -8.309 582 2HG GLU 74 HG1 GLU 74 5.337 14.769 -6.777 583 H GLU 75 HN GLU 75 3.502 17.734 -8.044 584 HA GLU 75 HA GLU 75 0.848 18.968 -8.056 585 1HB GLU 75 HB2 GLU 75 3.554 20.129 -8.752 586 2HB GLU 75 HB1 GLU 75 2.044 21.027 -8.715 587 1HG GLU 75 HG2 GLU 75 1.833 20.578 -6.323 588 2HG GLU 75 HG1 GLU 75 3.348 19.678 -6.362 589 H GLU 76 HN GLU 76 2.086 16.798 -9.839 590 HA GLU 76 HA GLU 76 1.464 18.011 -12.435 591 1HB GLU 76 HB2 GLU 76 3.654 16.906 -12.352 592 2HB GLU 76 HB1 GLU 76 2.903 15.428 -11.767 593 1HG GLU 76 HG2 GLU 76 1.686 15.211 -13.872 594 2HG GLU 76 HG1 GLU 76 2.437 16.694 -14.458 595 H GLY 77 HN GLY 77 0.349 16.039 -9.903 596 1HA GLY 77 HA2 GLY 77 -2.165 15.594 -11.137 597 2HA GLY 77 HA1 GLY 77 -1.220 14.110 -11.125 598 H ARG 78 HN ARG 78 -2.764 13.161 -9.701 599 HA ARG 78 HA ARG 78 -2.958 14.306 -7.014 600 1HB ARG 78 HB2 ARG 78 -4.331 11.842 -8.072 601 2HB ARG 78 HB1 ARG 78 -4.781 12.795 -6.669 602 1HG ARG 78 HG2 ARG 78 -4.847 13.860 -9.476 603 2HG ARG 78 HG1 ARG 78 -6.223 13.080 -8.704 604 1HD ARG 78 HD2 ARG 78 -6.497 15.431 -8.442 605 2HD ARG 78 HD1 ARG 78 -6.046 14.774 -6.869 606 HE ARG 78 HE ARG 78 -3.742 15.612 -8.243 607 1HH1 ARG 78 HH11 ARG 78 -6.541 16.913 -6.622 608 2HH1 ARG 78 HH12 ARG 78 -5.756 18.394 -6.185 609 1HH2 ARG 78 HH21 ARG 78 -2.704 17.558 -7.669 610 2HH2 ARG 78 HH22 ARG 78 -3.577 18.760 -6.779 611 H LEU 79 HN LEU 79 -3.493 11.143 -6.474 612 HA LEU 79 HA LEU 79 -0.959 10.732 -5.211 613 1HB LEU 79 HB2 LEU 79 -3.272 8.839 -5.669 614 2HB LEU 79 HB1 LEU 79 -1.879 8.486 -4.665 615 HG LEU 79 HG LEU 79 -3.941 10.632 -4.165 616 1HD1 LEU 79 1HD1 LEU 79 -4.452 8.145 -3.730 617 2HD1 LEU 79 2HD1 LEU 79 -4.763 9.311 -2.446 618 3HD1 LEU 79 3HD1 LEU 79 -3.316 8.305 -2.391 619 1HD2 LEU 79 1HD2 LEU 79 -1.514 9.881 -2.541 620 2HD2 LEU 79 2HD2 LEU 79 -2.747 11.055 -2.086 621 3HD2 LEU 79 3HD2 LEU 79 -1.709 11.361 -3.478 622 H TYR 80 HN TYR 80 0.826 9.747 -6.053 623 HA TYR 80 HA TYR 80 0.515 8.739 -8.762 624 1HB TYR 80 HB2 TYR 80 2.773 9.983 -7.296 625 2HB TYR 80 HB1 TYR 80 3.122 8.924 -8.658 626 HD1 TYR 80 HD1 TYR 80 3.959 10.466 -10.223 627 HD2 TYR 80 HD2 TYR 80 0.228 11.208 -8.327 628 HE1 TYR 80 HE1 TYR 80 3.535 12.309 -11.794 629 HE2 TYR 80 HE2 TYR 80 -0.206 13.050 -9.887 630 HH TYR 80 HH TYR 80 1.605 13.537 -12.707 631 H PHE 81 HN PHE 81 -0.226 6.638 -8.281 632 HA PHE 81 HA PHE 81 1.964 4.833 -7.933 633 1HB PHE 81 HB2 PHE 81 -0.432 4.216 -6.246 634 2HB PHE 81 HB1 PHE 81 1.206 3.591 -6.109 635 HD1 PHE 81 HD1 PHE 81 -1.117 6.145 -5.083 636 HD2 PHE 81 HD2 PHE 81 2.988 5.043 -5.151 637 HE1 PHE 81 HE1 PHE 81 -0.649 7.806 -3.328 638 HE2 PHE 81 HE2 PHE 81 3.467 6.704 -3.399 639 HZ PHE 81 HZ PHE 81 1.645 8.088 -2.487 640 H SER 82 HN SER 82 1.156 2.505 -8.076 641 HA SER 82 HA SER 82 -1.109 2.269 -9.859 642 1HB SER 82 HB2 SER 82 1.673 1.519 -10.731 643 2HB SER 82 HB1 SER 82 0.185 1.313 -11.655 644 HG SER 82 HG SER 82 1.753 3.455 -11.501 645 H MET 83 HN MET 83 1.062 -0.156 -10.416 646 HA MET 83 HA MET 83 0.340 -1.875 -8.212 647 1HB MET 83 HB2 MET 83 -1.546 -1.888 -9.944 648 2HB MET 83 HB1 MET 83 -0.404 -2.641 -11.041 649 1HG MET 83 HG2 MET 83 -0.323 -4.607 -9.791 650 2HG MET 83 HG1 MET 83 -1.031 -3.839 -8.372 651 1HE MET 83 HE1 MET 83 -3.426 -2.898 -8.303 652 2HE MET 83 HE2 MET 83 -4.736 -3.363 -9.388 653 3HE MET 83 HE3 MET 83 -3.534 -2.183 -9.912 654 H ASP 84 HN ASP 84 1.282 -4.254 -9.038 655 HA ASP 84 HA ASP 84 4.033 -3.990 -9.163 656 1HB ASP 84 HB2 ASP 84 2.375 -6.263 -10.256 657 2HB ASP 84 HB1 ASP 84 4.093 -6.339 -9.891 658 H ASP 85 HN ASP 85 1.645 -4.077 -11.733 659 HA ASP 85 HA ASP 85 3.708 -3.137 -13.590 660 1HB ASP 85 HB2 ASP 85 1.792 -5.395 -14.203 661 2HB ASP 85 HB1 ASP 85 2.874 -4.636 -15.368 662 H GLY 86 HN GLY 86 1.968 -1.365 -12.480 663 1HA GLY 86 HA2 GLY 86 0.165 -0.811 -14.748 664 2HA GLY 86 HA1 GLY 86 -0.423 -0.680 -13.099 665 H GLN 87 HN GLN 87 -0.740 1.483 -14.568 666 HA GLN 87 HA GLN 87 1.162 3.373 -13.413 667 1HB GLN 87 HB2 GLN 87 1.173 4.673 -15.551 668 2HB GLN 87 HB1 GLN 87 2.001 3.125 -15.647 669 1HG GLN 87 HG2 GLN 87 0.047 2.143 -16.732 670 2HG GLN 87 HG1 GLN 87 -0.787 3.693 -16.635 671 H THR 88 HN THR 88 -0.733 3.596 -11.943 672 HA THR 88 HA THR 88 -2.864 5.165 -13.191 673 HB THR 88 HB THR 88 -4.304 4.493 -11.311 674 HG1 THR 88 HG1 THR 88 -3.416 3.646 -9.634 675 1HG2 THR 88 1HG2 THR 88 -3.307 2.732 -13.345 676 2HG2 THR 88 2HG2 THR 88 -4.934 2.876 -12.679 677 3HG2 THR 88 3HG2 THR 88 -3.750 1.829 -11.896 678 H ARG 89 HN ARG 89 -0.216 5.921 -11.755 679 HA ARG 89 HA ARG 89 -0.479 7.325 -9.501 680 1HB ARG 89 HB2 ARG 89 1.116 9.023 -10.536 681 2HB ARG 89 HB1 ARG 89 1.622 7.344 -10.521 682 1HG ARG 89 HG2 ARG 89 2.203 8.247 -12.631 683 2HG ARG 89 HG1 ARG 89 0.828 7.174 -12.887 684 1HD ARG 89 HD2 ARG 89 -0.673 9.054 -13.012 685 2HD ARG 89 HD1 ARG 89 0.624 10.173 -12.589 686 HE ARG 89 HE ARG 89 1.368 8.763 -14.894 687 1HH1 ARG 89 HH11 ARG 89 -0.972 11.146 -13.878 688 2HH1 ARG 89 HH12 ARG 89 -1.095 11.875 -15.444 689 1HH2 ARG 89 HH21 ARG 89 1.207 9.722 -16.954 690 2HH2 ARG 89 HH22 ARG 89 0.142 11.067 -17.190 691 H PHE 90 HN PHE 90 -2.916 7.783 -9.752 692 HA PHE 90 HA PHE 90 -3.198 10.645 -10.242 693 1HB PHE 90 HB2 PHE 90 -5.412 10.261 -11.360 694 2HB PHE 90 HB1 PHE 90 -4.031 9.721 -12.300 695 HD1 PHE 90 HD1 PHE 90 -4.368 7.801 -13.462 696 HD2 PHE 90 HD2 PHE 90 -6.273 8.238 -9.680 697 HE1 PHE 90 HE1 PHE 90 -5.398 5.583 -13.726 698 HE2 PHE 90 HE2 PHE 90 -7.300 6.023 -9.936 699 HZ PHE 90 HZ PHE 90 -6.865 4.690 -11.960 700 H THR 91 HN THR 91 -6.028 10.685 -9.736 701 HA THR 91 HA THR 91 -6.007 10.699 -6.913 702 HB THR 91 HB THR 91 -7.495 12.178 -8.123 703 HG1 THR 91 HG1 THR 91 -8.458 11.834 -6.256 704 1HG2 THR 91 1HG2 THR 91 -8.553 11.514 -9.944 705 2HG2 THR 91 2HG2 THR 91 -9.639 10.583 -8.911 706 3HG2 THR 91 3HG2 THR 91 -8.200 9.822 -9.593 707 H ASP 92 HN ASP 92 -5.488 8.682 -6.095 708 HA ASP 92 HA ASP 92 -7.085 6.382 -6.868 709 1HB ASP 92 HB2 ASP 92 -4.669 6.097 -6.520 710 2HB ASP 92 HB1 ASP 92 -4.842 6.624 -4.851 711 H LEU 93 HN LEU 93 -6.413 8.246 -3.916 712 HA LEU 93 HA LEU 93 -7.870 6.979 -2.030 713 1HB LEU 93 HB2 LEU 93 -6.623 9.025 -1.611 714 2HB LEU 93 HB1 LEU 93 -7.803 9.954 -2.516 715 HG LEU 93 HG LEU 93 -9.516 9.414 -0.832 716 1HD1 LEU 93 1HD1 LEU 93 -9.088 7.466 0.234 717 2HD1 LEU 93 2HD1 LEU 93 -8.314 8.546 1.393 718 3HD1 LEU 93 3HD1 LEU 93 -7.340 7.699 0.192 719 1HD2 LEU 93 1HD2 LEU 93 -8.113 10.554 1.139 720 2HD2 LEU 93 2HD2 LEU 93 -8.689 11.444 -0.270 721 3HD2 LEU 93 3HD2 LEU 93 -7.022 10.873 -0.210 722 H LEU 94 HN LEU 94 -9.345 9.674 -3.850 723 HA LEU 94 HA LEU 94 -11.946 9.332 -3.085 724 1HB LEU 94 HB2 LEU 94 -11.043 11.182 -4.490 725 2HB LEU 94 HB1 LEU 94 -11.051 10.096 -5.865 726 HG LEU 94 HG LEU 94 -12.974 11.653 -5.837 727 1HD1 LEU 94 1HD1 LEU 94 -14.416 10.136 -6.723 728 2HD1 LEU 94 2HD1 LEU 94 -14.195 8.987 -5.404 729 3HD1 LEU 94 3HD1 LEU 94 -12.965 9.134 -6.659 730 1HD2 LEU 94 1HD2 LEU 94 -14.390 11.885 -4.109 731 2HD2 LEU 94 2HD2 LEU 94 -13.054 11.222 -3.168 732 3HD2 LEU 94 3HD2 LEU 94 -14.356 10.167 -3.714 733 H GLN 95 HN GLN 95 -10.356 7.746 -5.857 734 HA GLN 95 HA GLN 95 -12.584 6.313 -6.734 735 1HB GLN 95 HB2 GLN 95 -9.639 5.685 -6.978 736 2HB GLN 95 HB1 GLN 95 -10.916 5.011 -7.952 737 1HG GLN 95 HG2 GLN 95 -10.198 7.916 -7.856 738 2HG GLN 95 HG1 GLN 95 -9.671 6.786 -9.099 739 H LEU 96 HN LEU 96 -9.893 5.444 -4.605 740 HA LEU 96 HA LEU 96 -10.426 2.795 -4.113 741 1HB LEU 96 HB2 LEU 96 -8.480 4.151 -3.294 742 2HB LEU 96 HB1 LEU 96 -9.525 4.810 -2.054 743 HG LEU 96 HG LEU 96 -8.861 1.877 -2.327 744 1HD1 LEU 96 1HD1 LEU 96 -7.036 2.156 -1.060 745 2HD1 LEU 96 2HD1 LEU 96 -7.814 3.357 -0.031 746 3HD1 LEU 96 3HD1 LEU 96 -7.115 3.840 -1.577 747 1HD2 LEU 96 1HD2 LEU 96 -10.644 3.443 -0.586 748 2HD2 LEU 96 2HD2 LEU 96 -9.606 2.284 0.243 749 3HD2 LEU 96 3HD2 LEU 96 -10.698 1.737 -1.030 750 H VAL 97 HN VAL 97 -12.037 5.633 -2.842 751 HA VAL 97 HA VAL 97 -13.488 4.371 -0.775 752 HB VAL 97 HB VAL 97 -14.279 6.827 -2.349 753 1HG1 VAL 97 1HG1 VAL 97 -15.976 7.129 -0.925 754 2HG1 VAL 97 2HG1 VAL 97 -15.000 6.678 0.474 755 3HG1 VAL 97 3HG1 VAL 97 -15.763 5.429 -0.508 756 1HG2 VAL 97 1HG2 VAL 97 -12.313 7.585 -1.527 757 2HG2 VAL 97 2HG2 VAL 97 -12.251 6.368 -0.253 758 3HG2 VAL 97 3HG2 VAL 97 -13.265 7.797 -0.058 759 H GLU 98 HN GLU 98 -14.760 5.570 -3.891 760 HA GLU 98 HA GLU 98 -17.155 4.047 -3.706 761 1HB GLU 98 HB2 GLU 98 -17.035 6.115 -5.000 762 2HB GLU 98 HB1 GLU 98 -15.868 5.382 -6.093 763 1HG GLU 98 HG2 GLU 98 -17.549 3.768 -6.815 764 2HG GLU 98 HG1 GLU 98 -18.720 4.495 -5.716 765 H PHE 99 HN PHE 99 -14.235 3.623 -5.703 766 HA PHE 99 HA PHE 99 -15.128 1.252 -6.929 767 1HB PHE 99 HB2 PHE 99 -12.386 2.440 -6.577 768 2HB PHE 99 HB1 PHE 99 -12.640 0.911 -7.406 769 HD1 PHE 99 HD1 PHE 99 -12.091 1.376 -9.603 770 HD2 PHE 99 HD2 PHE 99 -14.747 3.979 -7.533 771 HE1 PHE 99 HE1 PHE 99 -12.559 2.566 -11.704 772 HE2 PHE 99 HE2 PHE 99 -15.220 5.171 -9.629 773 HZ PHE 99 HZ PHE 99 -14.127 4.465 -11.719 774 H HIS 100 HN HIS 100 -14.201 1.753 -3.715 775 HA HIS 100 HA HIS 100 -12.712 -0.384 -2.921 776 1HB HIS 100 HB2 HIS 100 -13.723 -0.232 -0.780 777 2HB HIS 100 HB1 HIS 100 -13.817 1.391 -1.450 778 HD1 HIS 100 HD1 HIS 100 -16.328 1.496 -2.970 779 HD2 HIS 100 HD2 HIS 100 -16.019 -0.718 0.531 780 HE1 HIS 100 HE1 HIS 100 -18.684 1.230 -2.134 781 HE2 HIS 100 HE2 HIS 100 -18.480 -0.187 -0.061 782 H GLN 101 HN GLN 101 -16.037 -0.371 -3.948 783 HA GLN 101 HA GLN 101 -16.709 -3.014 -3.230 784 1HB GLN 101 HB2 GLN 101 -18.550 -2.687 -4.937 785 2HB GLN 101 HB1 GLN 101 -18.479 -1.492 -3.650 786 1HG GLN 101 HG2 GLN 101 -17.120 -0.082 -5.304 787 2HG GLN 101 HG1 GLN 101 -17.713 -1.194 -6.528 788 H LEU 102 HN LEU 102 -15.729 -1.631 -6.377 789 HA LEU 102 HA LEU 102 -14.610 -4.243 -7.081 790 1HB LEU 102 HB2 LEU 102 -16.539 -2.668 -8.779 791 2HB LEU 102 HB1 LEU 102 -15.520 -3.942 -9.418 792 HG LEU 102 HG LEU 102 -17.686 -4.862 -9.055 793 1HD1 LEU 102 1HD1 LEU 102 -16.489 -5.966 -6.619 794 2HD1 LEU 102 2HD1 LEU 102 -15.429 -5.952 -8.028 795 3HD1 LEU 102 3HD1 LEU 102 -16.991 -6.767 -8.108 796 1HD2 LEU 102 1HD2 LEU 102 -17.864 -4.570 -6.171 797 2HD2 LEU 102 2HD2 LEU 102 -19.077 -4.280 -7.418 798 3HD2 LEU 102 3HD2 LEU 102 -17.909 -3.023 -7.015 799 H ASN 103 HN ASN 103 -12.734 -2.786 -6.405 800 HA ASN 103 HA ASN 103 -11.910 -0.984 -8.566 801 1HB ASN 103 HB2 ASN 103 -10.294 -0.065 -7.082 802 2HB ASN 103 HB1 ASN 103 -11.779 -0.229 -6.166 803 1HD2 ASN 103 1HD2 ASN 103 -11.011 -3.294 -6.167 804 2HD2 ASN 103 2HD2 ASN 103 -9.927 -3.377 -4.833 805 H ARG 104 HN ARG 104 -9.170 -1.101 -8.324 806 HA ARG 104 HA ARG 104 -8.625 -3.723 -9.509 807 1HB ARG 104 HB2 ARG 104 -7.122 -1.104 -9.634 808 2HB ARG 104 HB1 ARG 104 -6.510 -2.607 -10.310 809 1HG ARG 104 HG2 ARG 104 -7.501 -1.252 -12.042 810 2HG ARG 104 HG1 ARG 104 -8.452 -2.717 -11.803 811 1HD ARG 104 HD2 ARG 104 -10.104 -1.502 -10.545 812 2HD ARG 104 HD1 ARG 104 -9.119 -0.040 -10.585 813 HE ARG 104 HE ARG 104 -10.927 -0.911 -12.572 814 1HH1 ARG 104 HH11 ARG 104 -7.817 0.630 -12.192 815 2HH1 ARG 104 HH12 ARG 104 -7.889 1.432 -13.725 816 1HH2 ARG 104 HH21 ARG 104 -11.024 0.149 -14.584 817 2HH2 ARG 104 HH22 ARG 104 -9.709 1.161 -15.081 818 H GLY 105 HN GLY 105 -8.730 -4.513 -7.205 819 1HA GLY 105 HA2 GLY 105 -7.037 -3.923 -5.147 820 2HA GLY 105 HA1 GLY 105 -7.558 -5.558 -5.513 821 H ILE 106 HN ILE 106 -5.915 -6.949 -5.627 822 HA ILE 106 HA ILE 106 -3.220 -5.982 -6.047 823 HB ILE 106 HB ILE 106 -2.427 -8.077 -5.375 824 1HG1 ILE 106 2HG1 ILE 106 -3.679 -9.482 -6.933 825 2HG1 ILE 106 1HG1 ILE 106 -3.774 -10.133 -5.302 826 1HG2 ILE 106 1HG2 ILE 106 -4.798 -7.110 -3.935 827 2HG2 ILE 106 2HG2 ILE 106 -3.159 -7.414 -3.359 828 3HG2 ILE 106 3HG2 ILE 106 -4.292 -8.750 -3.541 829 1HD1 ILE 106 1HD1 ILE 106 -5.997 -8.809 -5.194 830 2HD1 ILE 106 2HD1 ILE 106 -5.928 -10.354 -6.038 831 3HD1 ILE 106 3HD1 ILE 106 -5.887 -8.847 -6.953 832 H LEU 107 HN LEU 107 -1.728 -7.259 -7.508 833 HA LEU 107 HA LEU 107 -2.009 -6.827 -10.088 834 1HB LEU 107 HB2 LEU 107 -0.669 -8.987 -8.633 835 2HB LEU 107 HB1 LEU 107 -0.908 -9.290 -10.345 836 HG LEU 107 HG LEU 107 0.533 -6.925 -9.145 837 1HD1 LEU 107 1HD1 LEU 107 2.350 -8.192 -10.654 838 2HD1 LEU 107 2HD1 LEU 107 1.377 -9.572 -10.148 839 3HD1 LEU 107 3HD1 LEU 107 2.119 -8.525 -8.938 840 1HD2 LEU 107 1HD2 LEU 107 -0.767 -7.101 -11.605 841 2HD2 LEU 107 2HD2 LEU 107 0.934 -7.396 -11.967 842 3HD2 LEU 107 3HD2 LEU 107 0.455 -5.920 -11.130 843 HA PRO 108 HA PRO 108 -4.720 -10.276 -11.591 844 1HB PRO 108 HB2 PRO 108 -4.247 -12.836 -10.886 845 2HB PRO 108 HB1 PRO 108 -3.143 -11.902 -11.900 846 1HG PRO 108 HG2 PRO 108 -2.756 -12.855 -9.178 847 2HG PRO 108 HG1 PRO 108 -1.575 -12.125 -10.276 848 1HD PRO 108 HD2 PRO 108 -3.166 -10.873 -8.129 849 2HD PRO 108 HD1 PRO 108 -1.668 -10.319 -8.891 850 H CYS 109 HN CYS 109 -4.572 -12.221 -8.618 851 HA CYS 109 HA CYS 109 -7.083 -13.159 -8.507 852 1HB CYS 109 HB2 CYS 109 -5.525 -12.266 -6.081 853 2HB CYS 109 HB1 CYS 109 -6.804 -13.473 -6.116 854 HG CYS 109 HG CYS 109 -3.571 -13.791 -6.842 855 H LEU 110 HN LEU 110 -8.458 -12.581 -6.282 856 HA LEU 110 HA LEU 110 -10.439 -10.940 -6.829 857 1HB LEU 110 HB2 LEU 110 -9.100 -11.216 -4.149 858 2HB LEU 110 HB1 LEU 110 -10.572 -10.296 -4.355 859 HG LEU 110 HG LEU 110 -11.067 -12.506 -3.498 860 1HD1 LEU 110 1HD1 LEU 110 -11.911 -12.280 -6.384 861 2HD1 LEU 110 2HD1 LEU 110 -12.661 -11.428 -5.035 862 3HD1 LEU 110 3HD1 LEU 110 -12.728 -13.189 -5.114 863 1HD2 LEU 110 1HD2 LEU 110 -10.476 -14.515 -4.520 864 2HD2 LEU 110 2HD2 LEU 110 -9.010 -13.540 -4.628 865 3HD2 LEU 110 3HD2 LEU 110 -10.050 -13.729 -6.040 866 H LEU 111 HN LEU 111 -10.883 -8.864 -7.197 867 HA LEU 111 HA LEU 111 -8.772 -6.910 -6.599 868 1HB LEU 111 HB2 LEU 111 -9.722 -5.570 -8.484 869 2HB LEU 111 HB1 LEU 111 -8.951 -7.068 -8.944 870 HG LEU 111 HG LEU 111 -11.013 -6.571 -10.224 871 1HD1 LEU 111 1HD1 LEU 111 -11.278 -8.753 -10.516 872 2HD1 LEU 111 2HD1 LEU 111 -11.918 -8.968 -8.887 873 3HD1 LEU 111 3HD1 LEU 111 -10.176 -8.987 -9.159 874 1HD2 LEU 111 1HD2 LEU 111 -12.478 -7.112 -7.651 875 2HD2 LEU 111 2HD2 LEU 111 -13.174 -6.708 -9.219 876 3HD2 LEU 111 3HD2 LEU 111 -12.236 -5.504 -8.335 877 H ARG 112 HN ARG 112 -10.823 -7.695 -4.759 878 HA ARG 112 HA ARG 112 -12.224 -5.118 -4.460 879 1HB ARG 112 HB2 ARG 112 -13.231 -7.841 -3.607 880 2HB ARG 112 HB1 ARG 112 -14.058 -6.312 -3.344 881 1HG ARG 112 HG2 ARG 112 -14.279 -6.016 -5.760 882 2HG ARG 112 HG1 ARG 112 -13.449 -7.552 -6.019 883 1HD ARG 112 HD2 ARG 112 -15.866 -7.822 -6.196 884 2HD ARG 112 HD1 ARG 112 -15.225 -8.721 -4.821 885 HE ARG 112 HE ARG 112 -16.040 -6.195 -3.930 886 1HH1 ARG 112 HH11 ARG 112 -17.426 -9.146 -5.176 887 2HH1 ARG 112 HH12 ARG 112 -18.927 -8.942 -4.338 888 1HH2 ARG 112 HH21 ARG 112 -18.013 -5.926 -2.826 889 2HH2 ARG 112 HH22 ARG 112 -19.261 -7.115 -3.004 890 H HIS 113 HN HIS 113 -12.308 -4.248 -2.354 891 HA HIS 113 HA HIS 113 -11.067 -5.738 -0.194 892 1HB HIS 113 HB2 HIS 113 -9.413 -3.968 0.287 893 2HB HIS 113 HB1 HIS 113 -9.135 -4.738 -1.275 894 HD1 HIS 113 HD1 HIS 113 -7.746 -2.353 -1.458 895 HD2 HIS 113 HD2 HIS 113 -11.886 -2.221 -1.758 896 HE1 HIS 113 HE1 HIS 113 -8.271 -0.140 -2.529 897 HE2 HIS 113 HE2 HIS 113 -10.777 -0.119 -2.777 898 H CYS 114 HN CYS 114 -11.128 -4.548 1.894 899 HA CYS 114 HA CYS 114 -13.179 -2.463 2.000 900 1HB CYS 114 HB2 CYS 114 -14.386 -4.556 2.327 901 2HB CYS 114 HB1 CYS 114 -13.272 -5.023 3.611 902 HG CYS 114 HG CYS 114 -14.651 -3.994 5.506 903 H CYS 115 HN CYS 115 -11.686 -4.440 4.558 904 HA CYS 115 HA CYS 115 -10.279 -2.034 5.506 905 1HB CYS 115 HB2 CYS 115 -11.794 -4.002 7.236 906 2HB CYS 115 HB1 CYS 115 -10.858 -2.632 7.821 907 HG CYS 115 HG CYS 115 -12.540 -0.691 7.024 908 H THR 116 HN THR 116 -9.047 -3.133 7.734 909 HA THR 116 HA THR 116 -7.284 -5.152 6.505 910 HB THR 116 HB THR 116 -6.611 -3.179 8.698 911 HG1 THR 116 HG1 THR 116 -6.112 -3.105 5.913 912 1HG2 THR 116 1HG2 THR 116 -5.205 -5.209 8.668 913 2HG2 THR 116 2HG2 THR 116 -4.316 -3.732 8.298 914 3HG2 THR 116 3HG2 THR 116 -4.765 -4.839 7.001 915 H ARG 117 HN ARG 117 -6.323 -6.758 7.947 916 HA ARG 117 HA ARG 117 -8.032 -7.304 10.288 917 1HB ARG 117 HB2 ARG 117 -8.412 -8.915 8.480 918 2HB ARG 117 HB1 ARG 117 -6.696 -9.289 8.441 919 1HG ARG 117 HG2 ARG 117 -7.952 -11.004 9.621 920 2HG ARG 117 HG1 ARG 117 -6.823 -10.186 10.701 921 1HD ARG 117 HD2 ARG 117 -8.981 -10.523 11.782 922 2HD ARG 117 HD1 ARG 117 -8.641 -8.807 11.567 923 HE ARG 117 HE ARG 117 -10.126 -9.695 9.369 924 1HH1 ARG 117 HH11 ARG 117 -10.518 -9.188 12.799 925 2HH1 ARG 117 HH12 ARG 117 -12.216 -8.867 12.684 926 1HH2 ARG 117 HH21 ARG 117 -12.358 -9.272 9.216 927 2HH2 ARG 117 HH22 ARG 117 -13.261 -8.915 10.650 928 H VAL 118 HN VAL 118 -6.315 -5.871 11.282 929 HA VAL 118 HA VAL 118 -4.320 -7.589 12.499 930 HB VAL 118 HB VAL 118 -2.557 -5.746 12.174 931 1HG1 VAL 118 1HG1 VAL 118 -2.959 -6.975 9.541 932 2HG1 VAL 118 2HG1 VAL 118 -3.043 -8.100 10.896 933 3HG1 VAL 118 3HG1 VAL 118 -1.603 -7.108 10.661 934 1HG2 VAL 118 1HG2 VAL 118 -3.208 -4.940 9.603 935 2HG2 VAL 118 2HG2 VAL 118 -3.233 -3.939 11.054 936 3HG2 VAL 118 3HG2 VAL 118 -4.707 -4.735 10.507 937 H ALA 119 HN ALA 119 -4.833 -4.051 12.337 938 HA ALA 119 HA ALA 119 -4.519 -3.804 15.171 939 1HB ALA 119 HB1 ALA 119 -5.625 -1.632 13.434 940 2HB ALA 119 HB2 ALA 119 -3.928 -2.098 13.316 941 3HB ALA 119 HB3 ALA 119 -4.577 -1.510 14.846 942 H LEU 120 HN LEU 120 -6.408 -1.884 15.846 943 HA LEU 120 HA LEU 120 -8.551 -3.420 16.730 944 1HB LEU 120 HB2 LEU 120 -8.467 -0.431 16.311 945 2HB LEU 120 HB1 LEU 120 -9.630 -1.288 17.304 946 HG LEU 120 HG LEU 120 -6.659 -1.116 17.814 947 1HD1 LEU 120 1HD1 LEU 120 -7.470 0.953 18.432 948 2HD1 LEU 120 2HD1 LEU 120 -7.627 0.037 19.930 949 3HD1 LEU 120 3HD1 LEU 120 -9.041 0.312 18.913 950 1HD2 LEU 120 1HD2 LEU 120 -7.657 -2.057 20.097 951 2HD2 LEU 120 2HD2 LEU 120 -7.102 -3.113 18.797 952 3HD2 LEU 120 3HD2 LEU 120 -8.822 -2.769 18.980 953 HA PRO1135 HA PRO1135 16.339 -7.305 -14.461 954 1HB PRO1135 HB2 PRO1135 16.107 -4.574 -13.291 955 2HB PRO1135 HB1 PRO1135 17.280 -5.204 -14.452 956 1HG PRO1135 HG2 PRO1135 15.303 -3.611 -15.252 957 2HG PRO1135 HG1 PRO1135 15.824 -4.986 -16.244 958 1HD PRO1135 HD2 PRO1135 13.398 -4.692 -14.531 959 2HD PRO1135 HD1 PRO1135 13.595 -5.544 -16.077 960 H GLN1136 HN GLN1136 14.279 -5.707 -12.039 961 HA GLN1136 HA GLN1136 14.773 -7.596 -10.026 962 1HB GLN1136 HB2 GLN1136 17.039 -6.645 -10.039 963 2HB GLN1136 HB1 GLN1136 16.372 -5.043 -9.752 964 1HG GLN1136 HG2 GLN1136 17.266 -5.986 -7.710 965 2HG GLN1136 HG1 GLN1136 15.520 -5.778 -7.588 966 HA PRO1137 HA PRO1137 11.261 -4.539 -9.497 967 1HB PRO1137 HB2 PRO1137 9.338 -6.452 -9.219 968 2HB PRO1137 HB1 PRO1137 9.811 -5.770 -10.779 969 1HG PRO1137 HG2 PRO1137 10.652 -8.345 -9.503 970 2HG PRO1137 HG1 PRO1137 10.204 -8.026 -11.189 971 1HD PRO1137 HD2 PRO1137 12.776 -8.236 -10.406 972 2HD PRO1137 HD1 PRO1137 12.272 -7.133 -11.702 973 H GLU1138 HN GLU1138 10.156 -4.059 -7.569 974 HA GLU1138 HA GLU1138 10.368 -5.892 -5.344 975 1HB GLU1138 HB2 GLU1138 11.471 -4.195 -3.880 976 2HB GLU1138 HB1 GLU1138 12.504 -4.858 -5.137 977 1HG GLU1138 HG2 GLU1138 12.110 -2.845 -6.488 978 2HG GLU1138 HG1 GLU1138 11.141 -2.177 -5.175 979 2HN PTR1139 HN PTR1139 9.498 -2.516 -6.243 980 2HN PTR1139 HN PTR1139 9.498 -2.516 -6.243 981 HA PTR1139 HA PTR1139 7.418 -2.621 -4.244 982 HA PTR1139 HA PTR1139 7.418 -2.621 -4.244 983 1HB PTR1139 HB1 PTR1139 7.086 -0.186 -5.416 984 1HB PTR1139 HB1 PTR1139 7.086 -0.186 -5.416 985 2HB PTR1139 HB2 PTR1139 8.817 -0.468 -5.603 986 2HB PTR1139 HB2 PTR1139 8.817 -0.468 -5.603 987 HD1 PTR1139 HD1 PTR1139 6.079 -0.273 -3.074 988 HD1 PTR1139 HD1 PTR1139 6.079 -0.273 -3.074 989 HD2 PTR1139 HD2 PTR1139 10.281 -0.277 -3.737 990 HD2 PTR1139 HD2 PTR1139 10.281 -0.277 -3.737 991 HE1 PTR1139 HE1 PTR1139 6.445 0.398 -0.764 992 HE1 PTR1139 HE1 PTR1139 6.445 0.398 -0.764 993 HE2 PTR1139 HE2 PTR1139 10.639 0.427 -1.387 994 HE2 PTR1139 HE2 PTR1139 10.639 0.427 -1.387 995 H VAL1140 HN VAL1140 6.969 -0.928 -7.300 996 HA VAL1140 HA VAL1140 5.216 -2.861 -8.407 997 HB VAL1140 HB VAL1140 3.205 -1.073 -8.105 998 1HG1 VAL1140 1HG1 VAL1140 3.266 -2.944 -5.872 999 2HG1 VAL1140 2HG1 VAL1140 3.626 -3.689 -7.426 1000 3HG1 VAL1140 3HG1 VAL1140 2.116 -2.805 -7.206 1001 1HG2 VAL1140 1HG2 VAL1140 3.132 -0.054 -6.081 1002 2HG2 VAL1140 2HG2 VAL1140 4.840 0.090 -6.495 1003 3HG2 VAL1140 3HG2 VAL1140 4.312 -1.154 -5.362 1004 H ASN1141 HN ASN1141 4.470 0.623 -8.372 1005 HA ASN1141 HA ASN1141 4.084 0.937 -11.017 1006 1HB ASN1141 HB2 ASN1141 5.930 2.897 -9.647 1007 2HB ASN1141 HB1 ASN1141 4.720 3.193 -10.882 1008 1HD2 ASN1141 1HD2 ASN1141 5.265 2.701 -7.502 1009 2HD2 ASN1141 2HD2 ASN1141 3.725 3.251 -6.958 1010 H GLN1142 HN GLN1142 7.043 0.485 -9.256 1011 HA GLN1142 HA GLN1142 8.303 -0.941 -11.310 1012 1HB GLN1142 HB2 GLN1142 9.688 1.592 -10.439 1013 2HB GLN1142 HB1 GLN1142 10.225 0.475 -11.672 1014 1HG GLN1142 HG2 GLN1142 9.494 2.189 -12.972 1015 2HG GLN1142 HG1 GLN1142 8.031 1.218 -12.889 1016 HA PRO1143 HA PRO1143 10.620 -2.164 -7.680 1017 1HB PRO1143 HB2 PRO1143 13.324 -1.737 -8.603 1018 2HB PRO1143 HB1 PRO1143 12.443 -3.261 -8.496 1019 1HG PRO1143 HG2 PRO1143 13.195 -2.062 -10.857 1020 2HG PRO1143 HG1 PRO1143 11.863 -3.217 -10.700 1021 1HD PRO1143 HD2 PRO1143 11.783 -0.240 -10.885 1022 2HD PRO1143 HD1 PRO1143 10.663 -1.446 -11.558 1023 H ASP1144 HN ASP1144 9.811 0.472 -7.877 1024 HA ASP1144 HA ASP1144 9.929 2.509 -7.050 1025 1HB ASP1144 HB2 ASP1144 10.891 2.803 -4.862 1026 2HB ASP1144 HB1 ASP1144 10.186 1.196 -4.934 Start of MODEL 7 1 1H GLY 1 HT1 GLY 1 24.785 3.139 -3.304 2 2H GLY 1 HT2 GLY 1 25.383 4.338 -2.270 3 3H GLY 1 HT3 GLY 1 23.825 4.478 -2.916 4 1HA GLY 1 HA1 GLY 1 23.486 2.178 -1.729 5 2HA GLY 1 HA2 GLY 1 24.795 2.789 -0.728 6 H SER 2 HN SER 2 21.928 4.279 -2.239 7 HA SER 2 HA SER 2 21.472 5.974 -0.002 8 1HB SER 2 HB2 SER 2 20.788 6.654 -2.242 9 2HB SER 2 HB1 SER 2 19.668 5.297 -2.337 10 HG SER 2 HG SER 2 18.877 7.504 -1.652 11 HA PRO 3 HA PRO 3 17.830 2.978 0.978 12 1HB PRO 3 HB2 PRO 3 17.793 0.546 -0.191 13 2HB PRO 3 HB1 PRO 3 17.065 1.968 -0.947 14 1HG PRO 3 HG2 PRO 3 19.722 0.693 -1.475 15 2HG PRO 3 HG1 PRO 3 18.529 1.311 -2.632 16 1HD PRO 3 HD2 PRO 3 20.741 2.706 -1.895 17 2HD PRO 3 HD1 PRO 3 19.222 3.486 -2.377 18 H ALA 4 HN ALA 4 18.258 2.330 2.986 19 HA ALA 4 HA ALA 4 19.956 0.013 3.434 20 1HB ALA 4 HB1 ALA 4 21.548 1.005 4.776 21 2HB ALA 4 HB2 ALA 4 20.543 2.414 5.111 22 3HB ALA 4 HB3 ALA 4 21.314 2.235 3.534 23 H SER 5 HN SER 5 20.053 -0.323 5.983 24 HA SER 5 HA SER 5 17.579 0.462 7.288 25 1HB SER 5 HB2 SER 5 16.927 -1.871 7.779 26 2HB SER 5 HB1 SER 5 16.905 -1.539 6.048 27 HG SER 5 HG SER 5 17.941 -3.500 6.434 28 H GLY 6 HN GLY 6 17.728 0.483 9.490 29 1HA GLY 6 HA2 GLY 6 19.429 -1.025 11.088 30 2HA GLY 6 HA1 GLY 6 20.316 0.426 10.646 31 H THR 7 HN THR 7 19.137 2.517 11.054 32 HA THR 7 HA THR 7 18.468 2.719 13.764 33 HB THR 7 HB THR 7 17.871 4.645 11.511 34 HG1 THR 7 HG1 THR 7 19.897 5.118 11.622 35 1HG2 THR 7 1HG2 THR 7 17.794 4.993 14.482 36 2HG2 THR 7 2HG2 THR 7 16.590 5.454 13.278 37 3HG2 THR 7 3HG2 THR 7 18.108 6.345 13.394 38 H SER 8 HN SER 8 16.425 3.539 14.676 39 HA SER 8 HA SER 8 14.085 2.424 13.273 40 1HB SER 8 HB2 SER 8 14.630 2.432 16.252 41 2HB SER 8 HB1 SER 8 13.154 1.843 15.486 42 HG SER 8 HG SER 8 15.396 0.517 15.920 43 H LEU 9 HN LEU 9 12.014 3.406 13.855 44 HA LEU 9 HA LEU 9 12.109 6.041 15.075 45 1HB LEU 9 HB2 LEU 9 12.683 6.388 12.678 46 2HB LEU 9 HB1 LEU 9 11.148 5.669 12.236 47 HG LEU 9 HG LEU 9 11.145 8.143 12.122 48 1HD1 LEU 9 1HD1 LEU 9 9.155 6.543 12.911 49 2HD1 LEU 9 2HD1 LEU 9 8.980 8.291 12.755 50 3HD1 LEU 9 3HD1 LEU 9 9.278 7.572 14.338 51 1HD2 LEU 9 1HD2 LEU 9 11.436 9.513 13.972 52 2HD2 LEU 9 2HD2 LEU 9 12.687 8.289 14.184 53 3HD2 LEU 9 3HD2 LEU 9 11.192 8.191 15.114 54 H SER 10 HN SER 10 10.419 6.167 16.384 55 HA SER 10 HA SER 10 8.087 4.472 15.868 56 1HB SER 10 HB2 SER 10 9.129 4.237 18.072 57 2HB SER 10 HB1 SER 10 8.914 5.961 18.372 58 HG SER 10 HG SER 10 7.183 5.058 19.318 59 H ALA 11 HN ALA 11 6.030 5.274 15.671 60 HA ALA 11 HA ALA 11 5.562 8.132 15.967 61 1HB ALA 11 HB1 ALA 11 6.050 8.431 13.778 62 2HB ALA 11 HB2 ALA 11 4.391 7.872 13.572 63 3HB ALA 11 HB3 ALA 11 5.733 6.748 13.362 64 H ALA 12 HN ALA 12 3.307 8.702 15.930 65 HA ALA 12 HA ALA 12 1.405 6.484 16.013 66 1HB ALA 12 HB1 ALA 12 0.478 7.729 18.154 67 2HB ALA 12 HB2 ALA 12 2.172 8.188 18.324 68 3HB ALA 12 HB3 ALA 12 1.720 6.483 18.272 69 H ILE 13 HN ILE 13 0.976 7.674 13.943 70 HA ILE 13 HA ILE 13 -0.280 10.259 14.127 71 HB ILE 13 HB ILE 13 0.986 9.651 12.124 72 1HG1 ILE 13 2HG1 ILE 13 -1.974 10.006 11.590 73 2HG1 ILE 13 1HG1 ILE 13 -0.825 11.298 11.927 74 1HG2 ILE 13 1HG2 ILE 13 -0.138 7.193 12.366 75 2HG2 ILE 13 2HG2 ILE 13 0.680 7.781 10.920 76 3HG2 ILE 13 3HG2 ILE 13 -1.077 7.870 11.036 77 1HD1 ILE 13 1HD1 ILE 13 -0.207 11.405 9.804 78 2HD1 ILE 13 2HD1 ILE 13 -1.563 10.337 9.444 79 3HD1 ILE 13 3HD1 ILE 13 0.043 9.661 9.713 80 H HIS 14 HN HIS 14 -1.303 6.994 14.404 81 HA HIS 14 HA HIS 14 -3.990 7.313 13.537 82 1HB HIS 14 HB2 HIS 14 -2.750 5.274 15.394 83 2HB HIS 14 HB1 HIS 14 -4.391 5.182 14.765 84 HD1 HIS 14 HD1 HIS 14 -0.876 5.462 13.305 85 HD2 HIS 14 HD2 HIS 14 -4.544 3.663 12.554 86 HE1 HIS 14 HE1 HIS 14 -0.529 4.061 11.247 87 HE2 HIS 14 HE2 HIS 14 -2.740 2.918 10.857 88 H ARG 15 HN ARG 15 -5.483 8.532 14.480 89 HA ARG 15 HA ARG 15 -5.599 8.563 17.399 90 1HB ARG 15 HB2 ARG 15 -6.175 10.972 17.370 91 2HB ARG 15 HB1 ARG 15 -4.538 10.646 16.807 92 1HG ARG 15 HG2 ARG 15 -5.202 10.942 14.516 93 2HG ARG 15 HG1 ARG 15 -6.898 11.062 14.974 94 1HD ARG 15 HD2 ARG 15 -4.692 13.046 15.564 95 2HD ARG 15 HD1 ARG 15 -6.086 13.264 14.511 96 HE ARG 15 HE ARG 15 -7.056 12.686 17.052 97 1HH1 ARG 15 HH11 ARG 15 -5.245 15.206 15.453 98 2HH1 ARG 15 HH12 ARG 15 -5.812 16.456 16.510 99 1HH2 ARG 15 HH21 ARG 15 -7.801 14.330 18.443 100 2HH2 ARG 15 HH22 ARG 15 -7.262 15.959 18.207 101 H THR 16 HN THR 16 -7.094 7.606 14.836 102 HA THR 16 HA THR 16 -9.724 7.902 16.049 103 HB THR 16 HB THR 16 -10.758 8.342 13.821 104 HG1 THR 16 HG1 THR 16 -8.079 8.819 13.034 105 1HG2 THR 16 1HG2 THR 16 -8.845 10.342 14.964 106 2HG2 THR 16 2HG2 THR 16 -10.602 10.276 15.105 107 3HG2 THR 16 3HG2 THR 16 -9.857 10.713 13.568 108 H GLN 17 HN GLN 17 -9.417 6.669 12.795 109 HA GLN 17 HA GLN 17 -9.113 3.936 13.708 110 1HB GLN 17 HB2 GLN 17 -11.220 3.210 12.571 111 2HB GLN 17 HB1 GLN 17 -11.462 4.161 14.027 112 1HG GLN 17 HG2 GLN 17 -13.031 4.859 12.363 113 2HG GLN 17 HG1 GLN 17 -11.860 6.150 12.621 114 H LEU 18 HN LEU 18 -7.845 5.956 11.785 115 HA LEU 18 HA LEU 18 -8.223 4.764 9.190 116 1HB LEU 18 HB2 LEU 18 -6.237 6.784 10.214 117 2HB LEU 18 HB1 LEU 18 -6.247 6.207 8.560 118 HG LEU 18 HG LEU 18 -7.351 8.323 8.620 119 1HD1 LEU 18 1HD1 LEU 18 -9.403 6.126 8.416 120 2HD1 LEU 18 2HD1 LEU 18 -8.320 6.656 7.129 121 3HD1 LEU 18 3HD1 LEU 18 -9.554 7.752 7.751 122 1HD2 LEU 18 1HD2 LEU 18 -9.231 8.821 10.026 123 2HD2 LEU 18 2HD2 LEU 18 -7.890 8.275 11.034 124 3HD2 LEU 18 3HD2 LEU 18 -9.230 7.183 10.679 125 H TRP 19 HN TRP 19 -6.034 4.263 7.967 126 HA TRP 19 HA TRP 19 -4.374 2.511 9.646 127 1HB TRP 19 HB2 TRP 19 -5.434 1.767 6.910 128 2HB TRP 19 HB1 TRP 19 -4.396 0.779 7.930 129 HD1 TRP 19 HD1 TRP 19 -5.611 -0.953 9.370 130 HE1 TRP 19 HE1 TRP 19 -8.039 -1.335 10.133 131 HE3 TRP 19 HE3 TRP 19 -7.724 3.320 7.525 132 HZ2 TRP 19 HZ2 TRP 19 -10.521 -0.004 9.971 133 HZ3 TRP 19 HZ3 TRP 19 -10.132 3.687 7.867 134 HH2 TRP 19 HH2 TRP 19 -11.501 2.059 9.064 135 H PHE 20 HN PHE 20 -3.336 4.850 9.220 136 HA PHE 20 HA PHE 20 -1.579 4.551 6.876 137 1HB PHE 20 HB2 PHE 20 -3.017 6.517 6.660 138 2HB PHE 20 HB1 PHE 20 -2.479 7.104 8.230 139 HD1 PHE 20 HD1 PHE 20 -1.338 9.071 7.832 140 HD2 PHE 20 HD2 PHE 20 -0.536 5.676 5.395 141 HE1 PHE 20 HE1 PHE 20 0.504 10.289 6.746 142 HE2 PHE 20 HE2 PHE 20 1.308 6.887 4.307 143 HZ PHE 20 HZ PHE 20 1.830 9.197 4.982 144 H HIS 21 HN HIS 21 0.406 4.001 7.378 145 HA HIS 21 HA HIS 21 1.704 5.192 9.731 146 1HB HIS 21 HB2 HIS 21 0.739 2.904 10.248 147 2HB HIS 21 HB1 HIS 21 1.870 2.240 9.078 148 HD1 HIS 21 HD1 HIS 21 2.756 0.873 11.213 149 HD2 HIS 21 HD2 HIS 21 3.422 4.972 11.298 150 HE1 HIS 21 HE1 HIS 21 4.484 1.236 13.002 151 HE2 HIS 21 HE2 HIS 21 4.826 3.729 13.077 152 H GLY 22 HN GLY 22 4.128 5.081 9.592 153 1HA GLY 22 HA2 GLY 22 4.979 5.109 6.795 154 2HA GLY 22 HA1 GLY 22 5.806 5.877 8.135 155 H ARG 23 HN ARG 23 7.468 4.880 9.003 156 HA ARG 23 HA ARG 23 8.901 2.916 7.927 157 1HB ARG 23 HB2 ARG 23 9.613 4.267 9.854 158 2HB ARG 23 HB1 ARG 23 8.605 3.285 10.904 159 1HG ARG 23 HG2 ARG 23 9.961 1.404 10.656 160 2HG ARG 23 HG1 ARG 23 10.751 2.053 9.218 161 1HD ARG 23 HD2 ARG 23 11.883 3.722 10.542 162 2HD ARG 23 HD1 ARG 23 11.012 3.213 11.990 163 HE ARG 23 HE ARG 23 12.587 1.597 12.268 164 1HH1 ARG 23 HH11 ARG 23 12.562 2.496 8.895 165 2HH1 ARG 23 HH12 ARG 23 13.848 1.419 8.470 166 1HH2 ARG 23 HH21 ARG 23 14.283 0.184 11.710 167 2HH2 ARG 23 HH22 ARG 23 14.826 0.108 10.068 168 H ILE 24 HN ILE 24 7.866 1.202 7.074 169 HA ILE 24 HA ILE 24 7.214 -0.925 8.945 170 HB ILE 24 HB ILE 24 5.301 0.137 6.890 171 1HG1 ILE 24 2HG1 ILE 24 5.108 -0.699 9.785 172 2HG1 ILE 24 1HG1 ILE 24 5.030 0.938 9.146 173 1HG2 ILE 24 1HG2 ILE 24 5.524 -2.688 7.872 174 2HG2 ILE 24 2HG2 ILE 24 5.303 -2.099 6.224 175 3HG2 ILE 24 3HG2 ILE 24 3.974 -2.006 7.377 176 1HD1 ILE 24 1HD1 ILE 24 3.004 -0.978 8.166 177 2HD1 ILE 24 2HD1 ILE 24 2.865 0.739 8.534 178 3HD1 ILE 24 3HD1 ILE 24 2.874 -0.445 9.838 179 H SER 25 HN SER 25 9.166 -1.790 8.327 180 HA SER 25 HA SER 25 10.305 -2.153 5.900 181 1HB SER 25 HB2 SER 25 10.177 -4.212 8.112 182 2HB SER 25 HB1 SER 25 11.342 -4.214 6.789 183 HG SER 25 HG SER 25 11.505 -2.933 9.096 184 H ARG 26 HN ARG 26 8.993 -2.500 4.158 185 HA ARG 26 HA ARG 26 6.874 -4.243 3.941 186 1HB ARG 26 HB2 ARG 26 7.602 -4.345 1.426 187 2HB ARG 26 HB1 ARG 26 7.016 -2.839 2.116 188 1HG ARG 26 HG2 ARG 26 8.840 -2.176 0.909 189 2HG ARG 26 HG1 ARG 26 9.502 -2.329 2.526 190 1HD ARG 26 HD2 ARG 26 10.533 -4.418 1.956 191 2HD ARG 26 HD1 ARG 26 9.713 -4.444 0.394 192 HE ARG 26 HE ARG 26 11.409 -3.149 -0.401 193 1HH1 ARG 26 HH11 ARG 26 11.222 -2.692 3.059 194 2HH1 ARG 26 HH12 ARG 26 12.397 -1.421 3.084 195 1HH2 ARG 26 HH21 ARG 26 12.943 -1.452 -0.362 196 2HH2 ARG 26 HH22 ARG 26 13.373 -0.721 1.150 197 H GLU 27 HN GLU 27 10.310 -4.969 3.630 198 HA GLU 27 HA GLU 27 10.073 -7.545 2.563 199 1HB GLU 27 HB2 GLU 27 12.325 -7.948 3.471 200 2HB GLU 27 HB1 GLU 27 12.213 -6.398 2.653 201 1HG GLU 27 HG2 GLU 27 11.973 -5.302 4.857 202 2HG GLU 27 HG1 GLU 27 12.212 -6.871 5.624 203 H GLU 28 HN GLU 28 10.355 -6.545 5.973 204 HA GLU 28 HA GLU 28 9.809 -9.217 6.902 205 1HB GLU 28 HB2 GLU 28 11.321 -7.756 8.156 206 2HB GLU 28 HB1 GLU 28 10.016 -6.605 8.410 207 1HG GLU 28 HG2 GLU 28 8.798 -8.268 9.716 208 2HG GLU 28 HG1 GLU 28 10.103 -9.426 9.458 209 H SER 29 HN SER 29 7.954 -6.497 5.984 210 HA SER 29 HA SER 29 5.734 -6.817 7.698 211 1HB SER 29 HB2 SER 29 6.083 -4.764 6.422 212 2HB SER 29 HB1 SER 29 5.878 -5.648 4.911 213 HG SER 29 HG SER 29 3.731 -6.123 5.595 214 H GLN 30 HN GLN 30 6.680 -8.349 4.700 215 HA GLN 30 HA GLN 30 4.245 -9.487 3.964 216 1HB GLN 30 HB2 GLN 30 6.786 -11.043 3.631 217 2HB GLN 30 HB1 GLN 30 5.427 -10.890 2.527 218 1HG GLN 30 HG2 GLN 30 7.481 -8.771 3.113 219 2HG GLN 30 HG1 GLN 30 7.404 -9.778 1.675 220 H ARG 31 HN ARG 31 6.513 -10.347 6.453 221 HA ARG 31 HA ARG 31 5.449 -12.950 6.956 222 1HB ARG 31 HB2 ARG 31 7.762 -12.325 7.543 223 2HB ARG 31 HB1 ARG 31 7.145 -11.175 8.719 224 1HG ARG 31 HG2 ARG 31 7.813 -13.086 9.927 225 2HG ARG 31 HG1 ARG 31 6.050 -13.114 9.885 226 1HD ARG 31 HD2 ARG 31 7.818 -14.653 7.988 227 2HD ARG 31 HD1 ARG 31 7.136 -15.325 9.467 228 HE ARG 31 HE ARG 31 5.817 -15.021 6.984 229 1HH1 ARG 31 HH11 ARG 31 5.269 -14.813 10.425 230 2HH1 ARG 31 HH12 ARG 31 3.574 -15.142 10.300 231 1HH2 ARG 31 HH21 ARG 31 3.589 -15.460 6.820 232 2HH2 ARG 31 HH22 ARG 31 2.621 -15.513 8.254 233 H LEU 32 HN LEU 32 5.066 -9.755 8.468 234 HA LEU 32 HA LEU 32 3.256 -10.720 10.469 235 1HB LEU 32 HB2 LEU 32 3.915 -7.933 9.530 236 2HB LEU 32 HB1 LEU 32 2.807 -8.271 10.846 237 HG LEU 32 HG LEU 32 4.656 -9.378 12.077 238 1HD1 LEU 32 1HD1 LEU 32 6.261 -8.445 9.714 239 2HD1 LEU 32 2HD1 LEU 32 6.097 -10.088 10.332 240 3HD1 LEU 32 3HD1 LEU 32 6.978 -8.878 11.265 241 1HD2 LEU 32 1HD2 LEU 32 4.053 -6.972 12.371 242 2HD2 LEU 32 2HD2 LEU 32 5.352 -6.568 11.249 243 3HD2 LEU 32 3HD2 LEU 32 5.724 -7.361 12.779 244 H ILE 33 HN ILE 33 2.760 -8.572 7.666 245 HA ILE 33 HA ILE 33 -0.089 -8.757 7.828 246 HB ILE 33 HB ILE 33 1.719 -7.693 5.651 247 1HG1 ILE 33 2HG1 ILE 33 0.883 -5.494 6.464 248 2HG1 ILE 33 1HG1 ILE 33 0.024 -6.328 7.754 249 1HG2 ILE 33 1HG2 ILE 33 -1.279 -7.720 5.847 250 2HG2 ILE 33 2HG2 ILE 33 -0.262 -8.290 4.524 251 3HG2 ILE 33 3HG2 ILE 33 -0.401 -6.563 4.846 252 1HD1 ILE 33 1HD1 ILE 33 1.990 -6.892 8.856 253 2HD1 ILE 33 2HD1 ILE 33 2.280 -5.250 8.283 254 3HD1 ILE 33 3HD1 ILE 33 2.982 -6.621 7.424 255 H GLY 34 HN GLY 34 2.157 -11.006 6.830 256 1HA GLY 34 HA2 GLY 34 0.465 -12.044 4.677 257 2HA GLY 34 HA1 GLY 34 2.074 -12.619 5.090 258 H GLN 35 HN GLN 35 -0.131 -12.022 7.622 259 HA GLN 35 HA GLN 35 -0.404 -14.888 8.109 260 1HB GLN 35 HB2 GLN 35 -1.046 -14.296 10.363 261 2HB GLN 35 HB1 GLN 35 0.426 -13.424 9.963 262 1HG GLN 35 HG2 GLN 35 -0.926 -11.421 9.481 263 2HG GLN 35 HG1 GLN 35 -2.368 -12.306 9.972 264 H GLN 36 HN GLN 36 -2.016 -12.152 6.842 265 HA GLN 36 HA GLN 36 -4.672 -13.022 7.500 266 1HB GLN 36 HB2 GLN 36 -3.572 -10.853 5.747 267 2HB GLN 36 HB1 GLN 36 -5.278 -11.280 5.677 268 1HG GLN 36 HG2 GLN 36 -5.636 -9.943 7.395 269 2HG GLN 36 HG1 GLN 36 -4.667 -11.021 8.393 270 H GLY 37 HN GLY 37 -5.644 -14.696 6.562 271 1HA GLY 37 HA2 GLY 37 -4.714 -15.561 3.914 272 2HA GLY 37 HA1 GLY 37 -5.617 -16.545 5.060 273 H LEU 38 HN LEU 38 -6.705 -13.316 4.528 274 HA LEU 38 HA LEU 38 -9.184 -14.299 3.439 275 1HB LEU 38 HB2 LEU 38 -8.223 -11.498 4.019 276 2HB LEU 38 HB1 LEU 38 -9.838 -11.893 3.465 277 HG LEU 38 HG LEU 38 -9.866 -11.514 5.849 278 1HD1 LEU 38 1HD1 LEU 38 -10.104 -14.475 5.372 279 2HD1 LEU 38 2HD1 LEU 38 -11.302 -13.295 4.840 280 3HD1 LEU 38 3HD1 LEU 38 -10.967 -13.499 6.560 281 1HD2 LEU 38 1HD2 LEU 38 -8.508 -12.582 7.401 282 2HD2 LEU 38 2HD2 LEU 38 -7.402 -12.243 6.070 283 3HD2 LEU 38 3HD2 LEU 38 -8.061 -13.865 6.277 284 H VAL 39 HN VAL 39 -10.088 -12.610 1.627 285 HA VAL 39 HA VAL 39 -8.644 -13.286 -0.716 286 HB VAL 39 HB VAL 39 -10.355 -12.032 -1.938 287 1HG1 VAL 39 1HG1 VAL 39 -10.699 -14.383 -0.924 288 2HG1 VAL 39 2HG1 VAL 39 -12.102 -13.511 -1.542 289 3HG1 VAL 39 3HG1 VAL 39 -11.793 -13.567 0.193 290 1HG2 VAL 39 1HG2 VAL 39 -10.847 -10.927 0.752 291 2HG2 VAL 39 2HG2 VAL 39 -12.280 -11.282 -0.212 292 3HG2 VAL 39 3HG2 VAL 39 -11.048 -10.186 -0.836 293 H ASP 40 HN ASP 40 -8.327 -11.567 -2.461 294 HA ASP 40 HA ASP 40 -6.272 -9.825 -1.556 295 1HB ASP 40 HB2 ASP 40 -7.647 -9.453 -4.202 296 2HB ASP 40 HB1 ASP 40 -5.944 -9.261 -3.804 297 H GLY 41 HN GLY 41 -8.149 -9.200 0.062 298 1HA GLY 41 HA2 GLY 41 -9.100 -6.553 -0.896 299 2HA GLY 41 HA1 GLY 41 -10.200 -7.634 -0.051 300 H LEU 42 HN LEU 42 -7.397 -8.218 1.453 301 HA LEU 42 HA LEU 42 -8.037 -6.216 3.484 302 1HB LEU 42 HB2 LEU 42 -6.430 -8.765 3.626 303 2HB LEU 42 HB1 LEU 42 -6.565 -7.633 4.955 304 HG LEU 42 HG LEU 42 -8.065 -9.576 5.195 305 1HD1 LEU 42 1HD1 LEU 42 -8.588 -7.145 5.957 306 2HD1 LEU 42 2HD1 LEU 42 -9.842 -8.382 6.041 307 3HD1 LEU 42 3HD1 LEU 42 -9.834 -7.223 4.711 308 1HD2 LEU 42 1HD2 LEU 42 -9.560 -8.480 2.825 309 2HD2 LEU 42 2HD2 LEU 42 -9.902 -9.951 3.734 310 3HD2 LEU 42 3HD2 LEU 42 -8.453 -9.850 2.734 311 H PHE 43 HN PHE 43 -7.063 -4.407 2.876 312 HA PHE 43 HA PHE 43 -4.131 -4.553 2.656 313 1HB PHE 43 HB2 PHE 43 -4.066 -2.999 0.828 314 2HB PHE 43 HB1 PHE 43 -5.127 -4.332 0.402 315 HD1 PHE 43 HD1 PHE 43 -7.168 -2.621 2.508 316 HD2 PHE 43 HD2 PHE 43 -5.265 -2.099 -1.260 317 HE1 PHE 43 HE1 PHE 43 -8.878 -0.980 1.876 318 HE2 PHE 43 HE2 PHE 43 -6.979 -0.461 -1.901 319 HZ PHE 43 HZ PHE 43 -8.787 0.103 -0.332 320 H LEU 44 HN LEU 44 -2.923 -2.814 3.377 321 HA LEU 44 HA LEU 44 -4.392 -0.721 4.833 322 1HB LEU 44 HB2 LEU 44 -3.582 -1.558 6.740 323 2HB LEU 44 HB1 LEU 44 -2.568 -2.696 5.883 324 HG LEU 44 HG LEU 44 -1.746 0.176 6.434 325 1HD1 LEU 44 1HD1 LEU 44 -2.162 -1.419 8.447 326 2HD1 LEU 44 2HD1 LEU 44 -0.658 -0.502 8.354 327 3HD1 LEU 44 3HD1 LEU 44 -0.682 -2.206 7.899 328 1HD2 LEU 44 1HD2 LEU 44 -0.239 -0.391 4.861 329 2HD2 LEU 44 2HD2 LEU 44 -0.583 -2.114 5.002 330 3HD2 LEU 44 3HD2 LEU 44 0.504 -1.335 6.152 331 H VAL 45 HN VAL 45 -3.446 1.339 4.836 332 HA VAL 45 HA VAL 45 -1.497 1.702 2.675 333 HB VAL 45 HB VAL 45 -3.172 3.811 4.043 334 1HG1 VAL 45 1HG1 VAL 45 -1.035 4.499 2.877 335 2HG1 VAL 45 2HG1 VAL 45 -2.513 5.275 2.307 336 3HG1 VAL 45 3HG1 VAL 45 -1.789 3.964 1.374 337 1HG2 VAL 45 1HG2 VAL 45 -4.852 3.502 2.550 338 2HG2 VAL 45 2HG2 VAL 45 -4.242 1.848 2.579 339 3HG2 VAL 45 3HG2 VAL 45 -3.769 2.940 1.277 340 H ARG 46 HN ARG 46 0.441 1.306 3.651 341 HA ARG 46 HA ARG 46 1.216 3.244 5.721 342 1HB ARG 46 HB2 ARG 46 2.114 1.676 7.055 343 2HB ARG 46 HB1 ARG 46 1.114 0.547 6.165 344 1HG ARG 46 HG2 ARG 46 3.995 1.182 5.582 345 2HG ARG 46 HG1 ARG 46 3.400 -0.253 6.408 346 1HD ARG 46 HD2 ARG 46 2.130 -0.853 4.379 347 2HD ARG 46 HD1 ARG 46 2.839 0.531 3.553 348 HE ARG 46 HE ARG 46 4.034 -1.976 3.891 349 1HH1 ARG 46 HH11 ARG 46 4.832 1.402 4.028 350 2HH1 ARG 46 HH12 ARG 46 6.514 1.146 3.729 351 1HH2 ARG 46 HH21 ARG 46 6.232 -2.321 3.487 352 2HH2 ARG 46 HH22 ARG 46 7.314 -0.974 3.412 353 H GLU 47 HN GLU 47 3.744 3.484 5.711 354 HA GLU 47 HA GLU 47 4.696 3.192 2.967 355 1HB GLU 47 HB2 GLU 47 5.304 5.537 2.793 356 2HB GLU 47 HB1 GLU 47 3.592 5.404 3.118 357 1HG GLU 47 HG2 GLU 47 3.996 5.950 5.452 358 2HG GLU 47 HG1 GLU 47 5.723 6.080 5.120 359 H SER 48 HN SER 48 6.983 4.842 3.373 360 HA SER 48 HA SER 48 8.313 3.406 5.550 361 1HB SER 48 HB2 SER 48 10.316 3.153 4.090 362 2HB SER 48 HB1 SER 48 8.929 2.225 3.531 363 HG SER 48 HG SER 48 9.535 4.812 2.556 364 H GLN 49 HN GLN 49 9.897 4.481 6.576 365 HA GLN 49 HA GLN 49 10.022 7.348 6.014 366 1HB GLN 49 HB2 GLN 49 10.744 7.625 8.293 367 2HB GLN 49 HB1 GLN 49 9.360 6.530 8.311 368 1HG GLN 49 HG2 GLN 49 10.938 5.664 9.831 369 2HG GLN 49 HG1 GLN 49 10.997 4.630 8.405 370 H ARG 50 HN ARG 50 11.402 4.853 4.822 371 HA ARG 50 HA ARG 50 14.201 5.667 5.068 372 1HB ARG 50 HB2 ARG 50 13.702 3.289 5.474 373 2HB ARG 50 HB1 ARG 50 12.981 3.167 3.875 374 1HG ARG 50 HG2 ARG 50 15.146 2.230 3.731 375 2HG ARG 50 HG1 ARG 50 15.213 3.796 2.923 376 1HD ARG 50 HD2 ARG 50 16.054 3.332 5.781 377 2HD ARG 50 HD1 ARG 50 17.163 3.294 4.411 378 HE ARG 50 HE ARG 50 16.184 5.598 5.730 379 1HH1 ARG 50 HH11 ARG 50 17.028 4.402 2.560 380 2HH1 ARG 50 HH12 ARG 50 17.373 5.974 1.923 381 1HH2 ARG 50 HH21 ARG 50 16.642 7.664 4.894 382 2HH2 ARG 50 HH22 ARG 50 17.158 7.826 3.247 383 H ASN 51 HN ASN 51 11.710 4.858 2.585 384 HA ASN 51 HA ASN 51 13.388 5.947 0.503 385 1HB ASN 51 HB2 ASN 51 10.465 5.187 0.381 386 2HB ASN 51 HB1 ASN 51 11.558 5.404 -0.984 387 1HD2 ASN 51 1HD2 ASN 51 13.492 4.026 1.214 388 2HD2 ASN 51 2HD2 ASN 51 13.220 2.363 0.868 389 HA PRO 52 HA PRO 52 12.451 10.286 1.212 390 1HB PRO 52 HB2 PRO 52 12.505 10.218 -1.785 391 2HB PRO 52 HB1 PRO 52 13.245 11.382 -0.678 392 1HG PRO 52 HG2 PRO 52 14.704 9.467 -1.837 393 2HG PRO 52 HG1 PRO 52 15.014 9.979 -0.169 394 1HD PRO 52 HD2 PRO 52 13.807 7.471 -1.177 395 2HD PRO 52 HD1 PRO 52 14.657 7.783 0.347 396 H GLN 53 HN GLN 53 10.949 8.803 -1.633 397 HA GLN 53 HA GLN 53 8.342 9.927 -0.829 398 1HB GLN 53 HB2 GLN 53 9.278 9.092 -3.589 399 2HB GLN 53 HB1 GLN 53 7.707 9.772 -3.195 400 1HG GLN 53 HG2 GLN 53 8.771 11.859 -2.516 401 2HG GLN 53 HG1 GLN 53 10.349 11.179 -2.901 402 H GLY 54 HN GLY 54 8.551 7.977 0.637 403 1HA GLY 54 HA2 GLY 54 8.032 5.466 -0.772 404 2HA GLY 54 HA1 GLY 54 8.580 5.617 0.879 405 H PHE 55 HN PHE 55 5.703 6.603 -1.034 406 HA PHE 55 HA PHE 55 4.017 5.853 1.244 407 1HB PHE 55 HB2 PHE 55 3.364 7.371 -1.301 408 2HB PHE 55 HB1 PHE 55 2.198 6.983 -0.041 409 HD1 PHE 55 HD1 PHE 55 5.641 8.451 -0.134 410 HD2 PHE 55 HD2 PHE 55 1.629 8.775 1.247 411 HE1 PHE 55 HE1 PHE 55 6.221 10.526 1.049 412 HE2 PHE 55 HE2 PHE 55 2.201 10.855 2.430 413 HZ PHE 55 HZ PHE 55 4.500 11.733 2.332 414 H VAL 56 HN VAL 56 3.155 3.921 1.267 415 HA VAL 56 HA VAL 56 2.632 2.524 -1.259 416 HB VAL 56 HB VAL 56 4.146 0.960 -0.769 417 1HG1 VAL 56 1HG1 VAL 56 5.759 1.267 0.810 418 2HG1 VAL 56 2HG1 VAL 56 4.604 1.708 2.060 419 3HG1 VAL 56 3HG1 VAL 56 5.046 2.878 0.818 420 1HG2 VAL 56 1HG2 VAL 56 2.447 0.494 1.668 421 2HG2 VAL 56 2HG2 VAL 56 3.839 -0.505 1.267 422 3HG2 VAL 56 3HG2 VAL 56 2.472 -0.419 0.161 423 H LEU 57 HN LEU 57 1.285 0.659 -1.094 424 HA LEU 57 HA LEU 57 -0.736 0.742 1.028 425 1HB LEU 57 HB2 LEU 57 -1.447 1.747 -1.276 426 2HB LEU 57 HB1 LEU 57 -1.434 0.082 -1.826 427 HG LEU 57 HG LEU 57 -3.200 1.307 0.283 428 1HD1 LEU 57 1HD1 LEU 57 -4.972 0.880 -1.163 429 2HD1 LEU 57 2HD1 LEU 57 -4.033 -0.254 -2.134 430 3HD1 LEU 57 3HD1 LEU 57 -3.697 1.476 -2.225 431 1HD2 LEU 57 1HD2 LEU 57 -2.911 -1.605 -0.442 432 2HD2 LEU 57 2HD2 LEU 57 -4.147 -0.922 0.613 433 3HD2 LEU 57 3HD2 LEU 57 -2.452 -0.860 1.089 434 H SER 58 HN SER 58 -0.752 -1.226 1.998 435 HA SER 58 HA SER 58 0.572 -3.435 0.612 436 1HB SER 58 HB2 SER 58 -0.295 -3.346 3.503 437 2HB SER 58 HB1 SER 58 0.896 -4.417 2.764 438 HG SER 58 HG SER 58 1.174 -1.601 2.837 439 H LEU 59 HN LEU 59 -0.476 -5.129 -0.152 440 HA LEU 59 HA LEU 59 -3.342 -5.347 0.391 441 1HB LEU 59 HB2 LEU 59 -1.657 -6.618 -1.764 442 2HB LEU 59 HB1 LEU 59 -3.395 -6.790 -1.604 443 HG LEU 59 HG LEU 59 -1.927 -4.214 -2.170 444 1HD1 LEU 59 1HD1 LEU 59 -2.002 -5.905 -4.015 445 2HD1 LEU 59 2HD1 LEU 59 -2.787 -4.369 -4.379 446 3HD1 LEU 59 3HD1 LEU 59 -3.759 -5.781 -3.968 447 1HD2 LEU 59 1HD2 LEU 59 -4.456 -3.647 -2.741 448 2HD2 LEU 59 2HD2 LEU 59 -3.782 -3.411 -1.129 449 3HD2 LEU 59 3HD2 LEU 59 -4.740 -4.849 -1.483 450 H CYS 60 HN CYS 60 -4.203 -7.626 0.299 451 HA CYS 60 HA CYS 60 -2.490 -9.626 1.496 452 1HB CYS 60 HB2 CYS 60 -5.082 -8.682 2.733 453 2HB CYS 60 HB1 CYS 60 -4.306 -10.202 3.144 454 HG CYS 60 HG CYS 60 -2.718 -9.258 4.922 455 H HIS 61 HN HIS 61 -2.606 -10.450 -0.476 456 HA HIS 61 HA HIS 61 -5.140 -11.106 -1.618 457 1HB HIS 61 HB2 HIS 61 -3.791 -10.356 -3.222 458 2HB HIS 61 HB1 HIS 61 -2.330 -10.861 -2.428 459 HD1 HIS 61 HD1 HIS 61 -1.993 -11.188 -5.181 460 HD2 HIS 61 HD2 HIS 61 -4.229 -14.049 -3.185 461 HE1 HIS 61 HE1 HIS 61 -2.070 -13.175 -6.710 462 HE2 HIS 61 HE2 HIS 61 -3.579 -14.814 -5.550 463 H LEU 62 HN LEU 62 -5.499 -13.415 -2.357 464 HA LEU 62 HA LEU 62 -4.796 -15.101 -0.070 465 1HB LEU 62 HB2 LEU 62 -6.559 -16.651 -0.893 466 2HB LEU 62 HB1 LEU 62 -7.135 -15.058 -0.459 467 HG LEU 62 HG LEU 62 -8.170 -16.068 -2.514 468 1HD1 LEU 62 1HD1 LEU 62 -7.142 -13.735 -3.762 469 2HD1 LEU 62 2HD1 LEU 62 -7.316 -13.414 -2.037 470 3HD1 LEU 62 3HD1 LEU 62 -8.700 -13.975 -2.974 471 1HD2 LEU 62 1HD2 LEU 62 -6.106 -17.077 -3.414 472 2HD2 LEU 62 2HD2 LEU 62 -5.502 -15.458 -3.771 473 3HD2 LEU 62 3HD2 LEU 62 -6.944 -16.060 -4.585 474 H GLN 63 HN GLN 63 -2.839 -14.609 -1.631 475 HA GLN 63 HA GLN 63 -1.971 -17.231 -2.012 476 1HB GLN 63 HB2 GLN 63 -1.754 -15.338 -4.359 477 2HB GLN 63 HB1 GLN 63 -0.956 -16.898 -4.250 478 1HG GLN 63 HG2 GLN 63 -3.152 -17.995 -4.138 479 2HG GLN 63 HG1 GLN 63 -3.926 -16.425 -4.322 480 H LYS 64 HN LYS 64 -1.461 -13.791 -2.019 481 HA LYS 64 HA LYS 64 0.953 -14.183 -0.497 482 1HB LYS 64 HB2 LYS 64 2.301 -12.677 -1.966 483 2HB LYS 64 HB1 LYS 64 1.911 -14.230 -2.690 484 1HG LYS 64 HG2 LYS 64 0.113 -13.186 -3.970 485 2HG LYS 64 HG1 LYS 64 0.501 -11.626 -3.243 486 1HD LYS 64 HD2 LYS 64 2.712 -11.684 -4.239 487 2HD LYS 64 HD1 LYS 64 2.391 -13.281 -4.911 488 1HE LYS 64 HE2 LYS 64 0.884 -10.762 -5.590 489 2HE LYS 64 HE1 LYS 64 2.148 -11.488 -6.578 490 1HZ LYS 64 HZ1 LYS 64 0.062 -13.334 -5.893 491 2HZ LYS 64 HZ2 LYS 64 0.729 -12.970 -7.404 492 3HZ LYS 64 HZ3 LYS 64 -0.506 -12.005 -6.772 493 H VAL 65 HN VAL 65 1.981 -11.813 -0.239 494 HA VAL 65 HA VAL 65 -0.089 -9.787 0.129 495 HB VAL 65 HB VAL 65 0.648 -9.259 2.393 496 1HG1 VAL 65 1HG1 VAL 65 0.115 -12.196 2.464 497 2HG1 VAL 65 2HG1 VAL 65 -1.093 -11.099 1.797 498 3HG1 VAL 65 3HG1 VAL 65 -0.558 -10.909 3.467 499 1HG2 VAL 65 1HG2 VAL 65 2.067 -11.554 3.188 500 2HG2 VAL 65 2HG2 VAL 65 2.659 -9.897 3.091 501 3HG2 VAL 65 3HG2 VAL 65 2.844 -10.979 1.713 502 H LYS 66 HN LYS 66 0.695 -7.753 -0.454 503 HA LYS 66 HA LYS 66 3.625 -7.473 -0.575 504 1HB LYS 66 HB2 LYS 66 3.623 -6.761 -2.859 505 2HB LYS 66 HB1 LYS 66 2.772 -8.295 -2.765 506 1HG LYS 66 HG2 LYS 66 0.628 -7.026 -2.753 507 2HG LYS 66 HG1 LYS 66 1.563 -5.560 -3.054 508 1HD LYS 66 HD2 LYS 66 0.708 -6.404 -5.146 509 2HD LYS 66 HD1 LYS 66 2.460 -6.602 -5.110 510 1HE LYS 66 HE2 LYS 66 1.311 -8.584 -6.010 511 2HE LYS 66 HE1 LYS 66 2.217 -8.943 -4.540 512 1HZ LYS 66 HZ1 LYS 66 0.369 -9.599 -3.529 513 2HZ LYS 66 HZ2 LYS 66 -0.434 -9.491 -5.013 514 3HZ LYS 66 HZ3 LYS 66 -0.461 -8.183 -3.943 515 H HIS 67 HN HIS 67 3.797 -5.105 -1.973 516 HA HIS 67 HA HIS 67 2.248 -3.114 -0.475 517 1HB HIS 67 HB2 HIS 67 5.264 -3.095 -0.734 518 2HB HIS 67 HB1 HIS 67 4.283 -1.886 0.085 519 HD1 HIS 67 HD1 HIS 67 3.080 -2.704 2.323 520 HD2 HIS 67 HD2 HIS 67 5.948 -5.263 0.767 521 HE1 HIS 67 HE1 HIS 67 3.592 -4.334 4.167 522 HE2 HIS 67 HE2 HIS 67 5.200 -5.977 3.136 523 H TYR 68 HN TYR 68 2.112 -1.064 -1.513 524 HA TYR 68 HA TYR 68 3.167 -0.950 -4.263 525 1HB TYR 68 HB2 TYR 68 0.424 -0.081 -3.316 526 2HB TYR 68 HB1 TYR 68 1.069 0.237 -4.918 527 HD1 TYR 68 HD1 TYR 68 0.136 -1.055 -6.540 528 HD2 TYR 68 HD2 TYR 68 0.756 -2.788 -2.710 529 HE1 TYR 68 HE1 TYR 68 -0.811 -3.170 -7.355 530 HE2 TYR 68 HE2 TYR 68 -0.190 -4.910 -3.512 531 HH TYR 68 HH TYR 68 -0.565 -5.675 -6.679 532 H LEU 69 HN LEU 69 4.854 0.465 -3.791 533 HA LEU 69 HA LEU 69 3.969 3.202 -3.196 534 1HB LEU 69 HB2 LEU 69 4.732 2.889 -1.095 535 2HB LEU 69 HB1 LEU 69 5.865 1.660 -1.554 536 HG LEU 69 HG LEU 69 6.743 3.942 -0.655 537 1HD1 LEU 69 1HD1 LEU 69 8.550 2.792 -1.295 538 2HD1 LEU 69 2HD1 LEU 69 8.495 3.816 -2.730 539 3HD1 LEU 69 3HD1 LEU 69 7.774 2.213 -2.767 540 1HD2 LEU 69 1HD2 LEU 69 6.928 4.916 -3.402 541 2HD2 LEU 69 2HD2 LEU 69 6.604 5.789 -1.920 542 3HD2 LEU 69 3HD2 LEU 69 5.296 4.962 -2.749 543 H ILE 70 HN ILE 70 4.609 4.350 -4.924 544 HA ILE 70 HA ILE 70 7.493 4.186 -5.358 545 HB ILE 70 HB ILE 70 5.580 3.644 -7.571 546 1HG1 ILE 70 2HG1 ILE 70 7.361 1.845 -7.985 547 2HG1 ILE 70 1HG1 ILE 70 8.027 2.311 -6.438 548 1HG2 ILE 70 1HG2 ILE 70 7.378 5.504 -8.021 549 2HG2 ILE 70 2HG2 ILE 70 7.058 4.252 -9.214 550 3HG2 ILE 70 3HG2 ILE 70 8.453 4.119 -8.148 551 1HD1 ILE 70 1HD1 ILE 70 6.648 0.977 -5.408 552 2HD1 ILE 70 2HD1 ILE 70 6.036 0.450 -6.964 553 3HD1 ILE 70 3HD1 ILE 70 5.262 1.788 -6.123 554 H LEU 71 HN LEU 71 4.511 5.747 -6.019 555 HA LEU 71 HA LEU 71 5.980 8.292 -5.949 556 1HB LEU 71 HB2 LEU 71 3.898 7.624 -8.007 557 2HB LEU 71 HB1 LEU 71 4.763 9.139 -7.872 558 HG LEU 71 HG LEU 71 5.929 6.464 -8.635 559 1HD1 LEU 71 1HD1 LEU 71 4.594 7.479 -10.391 560 2HD1 LEU 71 2HD1 LEU 71 6.308 7.531 -10.801 561 3HD1 LEU 71 3HD1 LEU 71 5.495 8.985 -10.225 562 1HD2 LEU 71 1HD2 LEU 71 7.286 8.413 -7.318 563 2HD2 LEU 71 2HD2 LEU 71 7.538 8.891 -8.995 564 3HD2 LEU 71 3HD2 LEU 71 8.013 7.279 -8.456 565 HA PRO 72 HA PRO 72 2.362 9.258 -3.471 566 1HB PRO 72 HB2 PRO 72 3.486 11.177 -2.009 567 2HB PRO 72 HB1 PRO 72 3.981 9.494 -1.808 568 1HG PRO 72 HG2 PRO 72 5.387 11.730 -3.168 569 2HG PRO 72 HG1 PRO 72 6.058 10.345 -2.292 570 1HD PRO 72 HD2 PRO 72 5.748 10.616 -5.105 571 2HD PRO 72 HD1 PRO 72 6.251 9.165 -4.216 572 H SER 73 HN SER 73 1.857 11.867 -2.671 573 HA SER 73 HA SER 73 0.596 12.999 -4.888 574 1HB SER 73 HB2 SER 73 -0.103 13.487 -2.600 575 2HB SER 73 HB1 SER 73 1.421 14.325 -2.296 576 HG SER 73 HG SER 73 0.135 15.951 -2.855 577 H GLU 74 HN GLU 74 1.315 14.205 -6.539 578 HA GLU 74 HA GLU 74 3.850 15.665 -6.191 579 1HB GLU 74 HB2 GLU 74 3.064 14.012 -8.593 580 2HB GLU 74 HB1 GLU 74 4.509 15.010 -8.472 581 1HG GLU 74 HG2 GLU 74 5.432 13.639 -6.788 582 2HG GLU 74 HG1 GLU 74 3.913 12.781 -6.559 583 H GLU 75 HN GLU 75 4.152 16.981 -8.469 584 HA GLU 75 HA GLU 75 1.796 18.715 -8.506 585 1HB GLU 75 HB2 GLU 75 3.215 20.430 -9.435 586 2HB GLU 75 HB1 GLU 75 4.013 19.731 -8.035 587 1HG GLU 75 HG2 GLU 75 4.630 18.858 -10.839 588 2HG GLU 75 HG1 GLU 75 5.445 20.214 -10.067 589 H GLU 76 HN GLU 76 2.471 16.111 -10.034 590 HA GLU 76 HA GLU 76 1.767 17.071 -12.715 591 1HB GLU 76 HB2 GLU 76 2.864 14.398 -11.803 592 2HB GLU 76 HB1 GLU 76 2.331 14.736 -13.442 593 1HG GLU 76 HG2 GLU 76 4.675 14.908 -13.440 594 2HG GLU 76 HG1 GLU 76 4.052 16.554 -13.523 595 H GLY 77 HN GLY 77 0.597 15.800 -9.841 596 1HA GLY 77 HA2 GLY 77 -2.073 15.669 -10.607 597 2HA GLY 77 HA1 GLY 77 -1.430 14.036 -10.728 598 H ARG 78 HN ARG 78 -1.681 12.845 -8.959 599 HA ARG 78 HA ARG 78 -1.281 14.108 -6.377 600 1HB ARG 78 HB2 ARG 78 -3.330 12.927 -5.479 601 2HB ARG 78 HB1 ARG 78 -3.617 14.325 -6.502 602 1HG ARG 78 HG2 ARG 78 -3.528 11.845 -8.001 603 2HG ARG 78 HG1 ARG 78 -4.761 11.856 -6.748 604 1HD ARG 78 HD2 ARG 78 -5.887 12.734 -8.574 605 2HD ARG 78 HD1 ARG 78 -5.385 14.174 -7.693 606 HE ARG 78 HE ARG 78 -3.414 13.547 -9.577 607 1HH1 ARG 78 HH11 ARG 78 -6.702 14.703 -9.425 608 2HH1 ARG 78 HH12 ARG 78 -6.620 15.522 -10.948 609 1HH2 ARG 78 HH21 ARG 78 -3.314 14.608 -11.603 610 2HH2 ARG 78 HH22 ARG 78 -4.698 15.472 -12.180 611 H LEU 79 HN LEU 79 -2.800 11.022 -6.126 612 HA LEU 79 HA LEU 79 -0.318 9.888 -5.226 613 1HB LEU 79 HB2 LEU 79 -3.038 8.640 -5.620 614 2HB LEU 79 HB1 LEU 79 -1.666 7.802 -4.933 615 HG LEU 79 HG LEU 79 -3.158 8.550 -3.177 616 1HD1 LEU 79 1HD1 LEU 79 -0.524 8.738 -3.099 617 2HD1 LEU 79 2HD1 LEU 79 -1.534 9.276 -1.756 618 3HD1 LEU 79 3HD1 LEU 79 -0.895 10.451 -2.905 619 1HD2 LEU 79 1HD2 LEU 79 -3.835 10.753 -2.842 620 2HD2 LEU 79 2HD2 LEU 79 -3.970 10.540 -4.587 621 3HD2 LEU 79 3HD2 LEU 79 -2.588 11.399 -3.909 622 H TYR 80 HN TYR 80 1.204 9.138 -6.572 623 HA TYR 80 HA TYR 80 0.391 8.322 -9.237 624 1HB TYR 80 HB2 TYR 80 2.864 9.433 -8.097 625 2HB TYR 80 HB1 TYR 80 3.046 8.336 -9.465 626 HD1 TYR 80 HD1 TYR 80 3.642 9.728 -11.234 627 HD2 TYR 80 HD2 TYR 80 0.329 10.782 -8.784 628 HE1 TYR 80 HE1 TYR 80 3.062 11.529 -12.804 629 HE2 TYR 80 HE2 TYR 80 -0.258 12.586 -10.344 630 HH TYR 80 HH TYR 80 1.159 12.855 -13.449 631 H PHE 81 HN PHE 81 0.292 6.375 -9.930 632 HA PHE 81 HA PHE 81 1.924 4.257 -8.827 633 1HB PHE 81 HB2 PHE 81 -1.065 4.171 -9.125 634 2HB PHE 81 HB1 PHE 81 -0.081 2.724 -8.957 635 HD1 PHE 81 HD1 PHE 81 -0.539 6.014 -7.238 636 HD2 PHE 81 HD2 PHE 81 0.094 1.822 -6.864 637 HE1 PHE 81 HE1 PHE 81 -0.631 6.218 -4.787 638 HE2 PHE 81 HE2 PHE 81 -0.006 2.022 -4.414 639 HZ PHE 81 HZ PHE 81 -0.369 4.222 -3.374 640 H SER 82 HN SER 82 2.534 2.664 -10.218 641 HA SER 82 HA SER 82 1.488 2.652 -12.928 642 1HB SER 82 HB2 SER 82 3.261 4.369 -12.904 643 2HB SER 82 HB1 SER 82 4.416 3.149 -12.388 644 HG SER 82 HG SER 82 4.336 3.561 -14.704 645 H MET 83 HN MET 83 1.636 0.817 -10.641 646 HA MET 83 HA MET 83 3.443 -1.175 -10.621 647 1HB MET 83 HB2 MET 83 0.474 -1.718 -10.720 648 2HB MET 83 HB1 MET 83 1.707 -2.739 -9.995 649 1HG MET 83 HG2 MET 83 1.074 -1.750 -8.104 650 2HG MET 83 HG1 MET 83 2.121 -0.443 -8.651 651 1HE MET 83 HE1 MET 83 -2.340 -0.567 -9.614 652 2HE MET 83 HE2 MET 83 -1.890 -1.342 -8.095 653 3HE MET 83 HE3 MET 83 -1.194 -1.908 -9.613 654 H ASP 84 HN ASP 84 3.152 -3.482 -11.498 655 HA ASP 84 HA ASP 84 3.917 -3.712 -14.060 656 1HB ASP 84 HB2 ASP 84 2.132 -5.651 -12.596 657 2HB ASP 84 HB1 ASP 84 3.028 -6.030 -14.061 658 H ASP 85 HN ASP 85 0.544 -3.663 -13.005 659 HA ASP 85 HA ASP 85 -0.225 -2.865 -15.712 660 1HB ASP 85 HB2 ASP 85 -1.634 -5.041 -14.148 661 2HB ASP 85 HB1 ASP 85 -2.161 -4.381 -15.692 662 H GLY 86 HN GLY 86 0.109 -1.455 -13.181 663 1HA GLY 86 HA2 GLY 86 -2.650 -0.453 -12.920 664 2HA GLY 86 HA1 GLY 86 -1.672 -0.753 -11.494 665 H GLN 87 HN GLN 87 -2.225 1.324 -14.210 666 HA GLN 87 HA GLN 87 -0.246 3.244 -13.182 667 1HB GLN 87 HB2 GLN 87 -0.425 4.313 -15.421 668 2HB GLN 87 HB1 GLN 87 0.164 2.658 -15.496 669 1HG GLN 87 HG2 GLN 87 -2.059 1.890 -16.139 670 2HG GLN 87 HG1 GLN 87 -2.658 3.545 -16.056 671 H THR 88 HN THR 88 -2.194 3.345 -11.561 672 HA THR 88 HA THR 88 -4.265 5.122 -12.560 673 HB THR 88 HB THR 88 -5.352 4.689 -10.361 674 HG1 THR 88 HG1 THR 88 -3.322 2.749 -10.036 675 1HG2 THR 88 1HG2 THR 88 -5.239 1.991 -10.911 676 2HG2 THR 88 2HG2 THR 88 -4.909 2.758 -12.465 677 3HG2 THR 88 3HG2 THR 88 -6.384 3.152 -11.580 678 H ARG 89 HN ARG 89 -1.449 5.944 -11.880 679 HA ARG 89 HA ARG 89 -1.051 7.418 -9.692 680 1HB ARG 89 HB2 ARG 89 0.235 9.020 -11.049 681 2HB ARG 89 HB1 ARG 89 0.543 7.357 -11.523 682 1HG ARG 89 HG2 ARG 89 -0.648 7.582 -13.514 683 2HG ARG 89 HG1 ARG 89 -1.477 9.035 -12.961 684 1HD ARG 89 HD2 ARG 89 0.570 10.309 -13.079 685 2HD ARG 89 HD1 ARG 89 1.489 8.859 -13.484 686 HE ARG 89 HE ARG 89 0.069 10.511 -15.283 687 1HH1 ARG 89 HH11 ARG 89 0.826 7.158 -14.665 688 2HH1 ARG 89 HH12 ARG 89 0.613 6.679 -16.315 689 1HH2 ARG 89 HH21 ARG 89 -0.204 9.879 -17.453 690 2HH2 ARG 89 HH22 ARG 89 0.032 8.222 -17.898 691 H PHE 90 HN PHE 90 -3.527 7.833 -9.287 692 HA PHE 90 HA PHE 90 -3.890 10.698 -9.675 693 1HB PHE 90 HB2 PHE 90 -6.322 10.372 -10.174 694 2HB PHE 90 HB1 PHE 90 -5.242 9.840 -11.452 695 HD1 PHE 90 HD1 PHE 90 -6.629 8.247 -8.350 696 HD2 PHE 90 HD2 PHE 90 -6.039 8.023 -12.560 697 HE1 PHE 90 HE1 PHE 90 -7.726 6.051 -8.383 698 HE2 PHE 90 HE2 PHE 90 -7.143 5.825 -12.598 699 HZ PHE 90 HZ PHE 90 -7.989 4.837 -10.508 700 H THR 91 HN THR 91 -6.446 10.836 -8.423 701 HA THR 91 HA THR 91 -5.616 10.454 -5.688 702 HB THR 91 HB THR 91 -8.110 11.613 -6.921 703 HG1 THR 91 HG1 THR 91 -5.995 12.814 -5.476 704 1HG2 THR 91 1HG2 THR 91 -8.248 12.580 -4.457 705 2HG2 THR 91 2HG2 THR 91 -7.534 11.009 -4.088 706 3HG2 THR 91 3HG2 THR 91 -9.075 11.099 -4.943 707 H ASP 92 HN ASP 92 -5.521 8.210 -5.456 708 HA ASP 92 HA ASP 92 -7.608 6.443 -6.119 709 1HB ASP 92 HB2 ASP 92 -5.301 5.699 -5.692 710 2HB ASP 92 HB1 ASP 92 -5.468 6.149 -3.998 711 H LEU 93 HN LEU 93 -6.948 8.353 -3.249 712 HA LEU 93 HA LEU 93 -8.453 7.281 -1.291 713 1HB LEU 93 HB2 LEU 93 -7.203 9.430 -1.186 714 2HB LEU 93 HB1 LEU 93 -8.529 10.208 -2.024 715 HG LEU 93 HG LEU 93 -8.790 8.868 0.669 716 1HD1 LEU 93 1HD1 LEU 93 -8.080 11.652 -0.122 717 2HD1 LEU 93 2HD1 LEU 93 -7.464 10.663 1.202 718 3HD1 LEU 93 3HD1 LEU 93 -9.067 11.388 1.315 719 1HD2 LEU 93 1HD2 LEU 93 -10.647 10.406 -1.097 720 2HD2 LEU 93 2HD2 LEU 93 -10.845 10.461 0.653 721 3HD2 LEU 93 3HD2 LEU 93 -10.933 8.918 -0.195 722 H LEU 94 HN LEU 94 -9.973 9.849 -3.247 723 HA LEU 94 HA LEU 94 -12.580 9.362 -2.558 724 1HB LEU 94 HB2 LEU 94 -11.732 11.284 -3.896 725 2HB LEU 94 HB1 LEU 94 -11.631 10.227 -5.289 726 HG LEU 94 HG LEU 94 -13.633 11.674 -5.310 727 1HD1 LEU 94 1HD1 LEU 94 -13.459 9.132 -6.115 728 2HD1 LEU 94 2HD1 LEU 94 -14.918 10.104 -6.306 729 3HD1 LEU 94 3HD1 LEU 94 -14.780 8.976 -4.957 730 1HD2 LEU 94 1HD2 LEU 94 -13.782 11.199 -2.648 731 2HD2 LEU 94 2HD2 LEU 94 -15.013 10.092 -3.257 732 3HD2 LEU 94 3HD2 LEU 94 -15.114 11.814 -3.626 733 H GLN 95 HN GLN 95 -10.738 7.839 -5.180 734 HA GLN 95 HA GLN 95 -12.800 6.377 -6.318 735 1HB GLN 95 HB2 GLN 95 -9.866 5.694 -6.114 736 2HB GLN 95 HB1 GLN 95 -11.000 5.059 -7.275 737 1HG GLN 95 HG2 GLN 95 -10.187 7.933 -7.056 738 2HG GLN 95 HG1 GLN 95 -9.564 6.784 -8.231 739 H LEU 96 HN LEU 96 -10.382 5.421 -3.889 740 HA LEU 96 HA LEU 96 -11.079 2.823 -3.425 741 1HB LEU 96 HB2 LEU 96 -9.200 3.934 -2.336 742 2HB LEU 96 HB1 LEU 96 -10.301 4.910 -1.386 743 HG LEU 96 HG LEU 96 -10.218 1.904 -1.166 744 1HD1 LEU 96 1HD1 LEU 96 -8.934 2.503 1.000 745 2HD1 LEU 96 2HD1 LEU 96 -8.525 3.992 0.149 746 3HD1 LEU 96 3HD1 LEU 96 -8.053 2.433 -0.526 747 1HD2 LEU 96 1HD2 LEU 96 -11.685 4.091 0.127 748 2HD2 LEU 96 2HD2 LEU 96 -10.962 2.934 1.246 749 3HD2 LEU 96 3HD2 LEU 96 -12.080 2.378 0.002 750 H VAL 97 HN VAL 97 -12.786 5.707 -2.431 751 HA VAL 97 HA VAL 97 -14.530 4.532 -0.556 752 HB VAL 97 HB VAL 97 -15.071 6.921 -2.327 753 1HG1 VAL 97 1HG1 VAL 97 -16.817 5.605 -0.669 754 2HG1 VAL 97 2HG1 VAL 97 -16.951 7.288 -1.175 755 3HG1 VAL 97 3HG1 VAL 97 -16.192 6.888 0.366 756 1HG2 VAL 97 1HG2 VAL 97 -13.654 6.678 0.315 757 2HG2 VAL 97 2HG2 VAL 97 -14.303 8.201 -0.290 758 3HG2 VAL 97 3HG2 VAL 97 -13.042 7.360 -1.191 759 H GLU 98 HN GLU 98 -15.428 5.667 -3.822 760 HA GLU 98 HA GLU 98 -17.753 4.003 -3.884 761 1HB GLU 98 HB2 GLU 98 -17.685 6.118 -5.102 762 2HB GLU 98 HB1 GLU 98 -16.363 5.527 -6.099 763 1HG GLU 98 HG2 GLU 98 -17.832 3.814 -7.033 764 2HG GLU 98 HG1 GLU 98 -19.158 4.409 -6.035 765 H PHE 99 HN PHE 99 -14.637 3.869 -5.604 766 HA PHE 99 HA PHE 99 -15.205 1.481 -6.985 767 1HB PHE 99 HB2 PHE 99 -12.615 2.840 -6.270 768 2HB PHE 99 HB1 PHE 99 -12.652 1.317 -7.146 769 HD1 PHE 99 HD1 PHE 99 -11.858 1.879 -9.248 770 HD2 PHE 99 HD2 PHE 99 -14.946 4.228 -7.495 771 HE1 PHE 99 HE1 PHE 99 -12.145 3.085 -11.373 772 HE2 PHE 99 HE2 PHE 99 -15.236 5.435 -9.615 773 HZ PHE 99 HZ PHE 99 -13.836 4.866 -11.558 774 H HIS 100 HN HIS 100 -14.783 1.964 -3.691 775 HA HIS 100 HA HIS 100 -13.260 -0.006 -2.651 776 1HB HIS 100 HB2 HIS 100 -14.805 1.576 -1.400 777 2HB HIS 100 HB1 HIS 100 -16.103 0.437 -1.732 778 HD1 HIS 100 HD1 HIS 100 -15.880 0.678 1.086 779 HD2 HIS 100 HD2 HIS 100 -13.177 -1.707 -0.974 780 HE1 HIS 100 HE1 HIS 100 -14.905 -0.873 2.808 781 HE2 HIS 100 HE2 HIS 100 -13.132 -2.163 1.568 782 H GLN 101 HN GLN 101 -16.290 -0.373 -4.328 783 HA GLN 101 HA GLN 101 -16.768 -3.093 -3.724 784 1HB GLN 101 HB2 GLN 101 -17.646 -2.018 -6.355 785 2HB GLN 101 HB1 GLN 101 -18.543 -2.960 -5.178 786 1HG GLN 101 HG2 GLN 101 -18.040 -0.008 -5.231 787 2HG GLN 101 HG1 GLN 101 -19.576 -0.867 -5.213 788 H LEU 102 HN LEU 102 -15.683 -1.660 -6.809 789 HA LEU 102 HA LEU 102 -13.943 -4.003 -7.199 790 1HB LEU 102 HB2 LEU 102 -15.577 -2.622 -9.331 791 2HB LEU 102 HB1 LEU 102 -14.444 -3.930 -9.603 792 HG LEU 102 HG LEU 102 -16.628 -4.861 -9.670 793 1HD1 LEU 102 1HD1 LEU 102 -16.334 -6.625 -8.258 794 2HD1 LEU 102 2HD1 LEU 102 -15.885 -5.601 -6.893 795 3HD1 LEU 102 3HD1 LEU 102 -14.723 -5.909 -8.184 796 1HD2 LEU 102 1HD2 LEU 102 -17.416 -2.830 -8.097 797 2HD2 LEU 102 2HD2 LEU 102 -17.387 -4.141 -6.918 798 3HD2 LEU 102 3HD2 LEU 102 -18.374 -4.284 -8.371 799 H ASN 103 HN ASN 103 -12.482 -2.311 -6.162 800 HA ASN 103 HA ASN 103 -11.593 -0.223 -7.993 801 1HB ASN 103 HB2 ASN 103 -10.147 0.490 -6.133 802 2HB ASN 103 HB1 ASN 103 -11.825 0.343 -5.621 803 1HD2 ASN 103 1HD2 ASN 103 -8.783 -0.221 -4.682 804 2HD2 ASN 103 2HD2 ASN 103 -9.029 -1.554 -3.610 805 H ARG 104 HN ARG 104 -8.995 0.026 -7.755 806 HA ARG 104 HA ARG 104 -7.949 -2.238 -9.177 807 1HB ARG 104 HB2 ARG 104 -7.391 0.491 -9.078 808 2HB ARG 104 HB1 ARG 104 -5.972 -0.262 -8.367 809 1HG ARG 104 HG2 ARG 104 -5.643 0.053 -10.730 810 2HG ARG 104 HG1 ARG 104 -5.739 -1.670 -10.367 811 1HD ARG 104 HD2 ARG 104 -8.212 -0.198 -11.148 812 2HD ARG 104 HD1 ARG 104 -7.053 -0.651 -12.397 813 HE ARG 104 HE ARG 104 -7.551 -2.919 -10.868 814 1HH1 ARG 104 HH11 ARG 104 -9.314 -0.772 -12.979 815 2HH1 ARG 104 HH12 ARG 104 -10.421 -1.996 -13.505 816 1HH2 ARG 104 HH21 ARG 104 -9.004 -4.530 -11.557 817 2HH2 ARG 104 HH22 ARG 104 -10.245 -4.129 -12.697 818 H GLY 105 HN GLY 105 -8.487 -3.522 -7.072 819 1HA GLY 105 HA2 GLY 105 -6.910 -3.363 -4.787 820 2HA GLY 105 HA1 GLY 105 -7.662 -4.833 -5.383 821 H ILE 106 HN ILE 106 -6.372 -6.436 -6.013 822 HA ILE 106 HA ILE 106 -3.497 -5.960 -6.055 823 HB ILE 106 HB ILE 106 -4.753 -7.863 -4.793 824 1HG1 ILE 106 2HG1 ILE 106 -2.285 -7.600 -4.950 825 2HG1 ILE 106 1HG1 ILE 106 -2.800 -9.280 -4.876 826 1HG2 ILE 106 1HG2 ILE 106 -5.522 -9.665 -5.891 827 2HG2 ILE 106 2HG2 ILE 106 -4.271 -9.585 -7.130 828 3HG2 ILE 106 3HG2 ILE 106 -5.677 -8.526 -7.228 829 1HD1 ILE 106 1HD1 ILE 106 -1.227 -7.941 -6.851 830 2HD1 ILE 106 2HD1 ILE 106 -2.663 -8.650 -7.583 831 3HD1 ILE 106 3HD1 ILE 106 -1.561 -9.661 -6.657 832 H LEU 107 HN LEU 107 -2.146 -6.473 -7.794 833 HA LEU 107 HA LEU 107 -2.626 -5.724 -10.260 834 1HB LEU 107 HB2 LEU 107 -0.750 -7.541 -9.097 835 2HB LEU 107 HB1 LEU 107 -1.166 -8.095 -10.706 836 HG LEU 107 HG LEU 107 -0.121 -5.333 -10.052 837 1HD1 LEU 107 1HD1 LEU 107 1.972 -6.036 -10.501 838 2HD1 LEU 107 2HD1 LEU 107 1.437 -7.253 -11.661 839 3HD1 LEU 107 3HD1 LEU 107 1.335 -7.578 -9.931 840 1HD2 LEU 107 1HD2 LEU 107 -0.823 -4.769 -12.080 841 2HD2 LEU 107 2HD2 LEU 107 -1.475 -6.387 -12.338 842 3HD2 LEU 107 3HD2 LEU 107 0.197 -6.032 -12.767 843 HA PRO 108 HA PRO 108 -4.722 -9.406 -12.180 844 1HB PRO 108 HB2 PRO 108 -4.031 -11.949 -11.468 845 2HB PRO 108 HB1 PRO 108 -3.054 -10.921 -12.517 846 1HG PRO 108 HG2 PRO 108 -2.446 -11.853 -9.858 847 2HG PRO 108 HG1 PRO 108 -1.433 -10.885 -10.940 848 1HD PRO 108 HD2 PRO 108 -3.184 -10.022 -8.716 849 2HD PRO 108 HD1 PRO 108 -1.758 -9.224 -9.401 850 H CYS 109 HN CYS 109 -4.495 -11.418 -9.259 851 HA CYS 109 HA CYS 109 -7.031 -12.438 -9.279 852 1HB CYS 109 HB2 CYS 109 -5.404 -11.794 -6.817 853 2HB CYS 109 HB1 CYS 109 -6.714 -12.965 -6.915 854 HG CYS 109 HG CYS 109 -4.091 -13.385 -9.010 855 H LEU 110 HN LEU 110 -8.355 -12.018 -6.956 856 HA LEU 110 HA LEU 110 -10.281 -10.258 -7.329 857 1HB LEU 110 HB2 LEU 110 -8.921 -10.786 -4.695 858 2HB LEU 110 HB1 LEU 110 -10.383 -9.838 -4.822 859 HG LEU 110 HG LEU 110 -10.953 -12.066 -4.142 860 1HD1 LEU 110 1HD1 LEU 110 -12.569 -12.637 -5.817 861 2HD1 LEU 110 2HD1 LEU 110 -11.668 -11.763 -7.055 862 3HD1 LEU 110 3HD1 LEU 110 -12.441 -10.880 -5.738 863 1HD2 LEU 110 1HD2 LEU 110 -9.901 -13.233 -6.683 864 2HD2 LEU 110 2HD2 LEU 110 -10.271 -14.023 -5.151 865 3HD2 LEU 110 3HD2 LEU 110 -8.829 -13.020 -5.299 866 H LEU 111 HN LEU 111 -10.794 -8.109 -7.038 867 HA LEU 111 HA LEU 111 -8.553 -6.304 -6.460 868 1HB LEU 111 HB2 LEU 111 -9.348 -4.794 -8.242 869 2HB LEU 111 HB1 LEU 111 -8.766 -6.327 -8.842 870 HG LEU 111 HG LEU 111 -10.745 -5.560 -10.057 871 1HD1 LEU 111 1HD1 LEU 111 -10.254 -8.080 -9.165 872 2HD1 LEU 111 2HD1 LEU 111 -11.487 -7.645 -10.348 873 3HD1 LEU 111 3HD1 LEU 111 -11.923 -7.835 -8.650 874 1HD2 LEU 111 1HD2 LEU 111 -11.727 -4.399 -8.009 875 2HD2 LEU 111 2HD2 LEU 111 -12.365 -5.982 -7.568 876 3HD2 LEU 111 3HD2 LEU 111 -12.847 -5.231 -9.088 877 H ARG 112 HN ARG 112 -11.043 -7.304 -5.015 878 HA ARG 112 HA ARG 112 -12.284 -4.692 -4.436 879 1HB ARG 112 HB2 ARG 112 -13.351 -7.388 -3.602 880 2HB ARG 112 HB1 ARG 112 -14.213 -5.857 -3.682 881 1HG ARG 112 HG2 ARG 112 -14.062 -5.903 -6.125 882 2HG ARG 112 HG1 ARG 112 -13.201 -7.439 -6.038 883 1HD ARG 112 HD2 ARG 112 -15.560 -7.792 -6.534 884 2HD ARG 112 HD1 ARG 112 -15.136 -8.471 -4.963 885 HE ARG 112 HE ARG 112 -16.084 -5.868 -4.575 886 1HH1 ARG 112 HH11 ARG 112 -17.257 -8.993 -5.592 887 2HH1 ARG 112 HH12 ARG 112 -18.871 -8.708 -5.033 888 1HH2 ARG 112 HH21 ARG 112 -18.206 -5.491 -3.839 889 2HH2 ARG 112 HH22 ARG 112 -19.411 -6.719 -4.039 890 H HIS 113 HN HIS 113 -12.681 -4.181 -2.133 891 HA HIS 113 HA HIS 113 -11.146 -5.811 -0.251 892 1HB HIS 113 HB2 HIS 113 -9.937 -3.884 0.661 893 2HB HIS 113 HB1 HIS 113 -9.526 -4.166 -1.031 894 HD1 HIS 113 HD1 HIS 113 -10.746 -2.498 -2.769 895 HD2 HIS 113 HD2 HIS 113 -10.795 -1.373 1.228 896 HE1 HIS 113 HE1 HIS 113 -11.297 -0.046 -2.768 897 HE2 HIS 113 HE2 HIS 113 -11.471 0.572 -0.334 898 H CYS 114 HN CYS 114 -11.322 -4.930 2.019 899 HA CYS 114 HA CYS 114 -13.868 -3.586 2.539 900 1HB CYS 114 HB2 CYS 114 -14.378 -5.977 2.604 901 2HB CYS 114 HB1 CYS 114 -13.064 -6.242 3.749 902 HG CYS 114 HG CYS 114 -14.959 -3.962 5.060 903 H CYS 115 HN CYS 115 -11.547 -5.350 4.581 904 HA CYS 115 HA CYS 115 -10.664 -2.822 5.764 905 1HB CYS 115 HB2 CYS 115 -11.663 -5.174 7.388 906 2HB CYS 115 HB1 CYS 115 -10.975 -3.690 8.040 907 HG CYS 115 HG CYS 115 -13.052 -2.062 7.428 908 H THR 116 HN THR 116 -9.136 -3.935 7.831 909 HA THR 116 HA THR 116 -7.284 -5.779 6.500 910 HB THR 116 HB THR 116 -6.482 -3.228 7.916 911 HG1 THR 116 HG1 THR 116 -6.232 -3.970 5.194 912 1HG2 THR 116 1HG2 THR 116 -4.214 -3.745 7.090 913 2HG2 THR 116 2HG2 THR 116 -4.789 -5.341 6.609 914 3HG2 THR 116 3HG2 THR 116 -4.793 -4.879 8.311 915 H ARG 117 HN ARG 117 -5.706 -6.766 8.066 916 HA ARG 117 HA ARG 117 -6.765 -6.797 10.813 917 1HB ARG 117 HB2 ARG 117 -7.641 -8.763 9.647 918 2HB ARG 117 HB1 ARG 117 -6.010 -9.232 9.191 919 1HG ARG 117 HG2 ARG 117 -6.799 -10.552 11.063 920 2HG ARG 117 HG1 ARG 117 -5.434 -9.542 11.541 921 1HD ARG 117 HD2 ARG 117 -7.178 -9.526 13.246 922 2HD ARG 117 HD1 ARG 117 -6.970 -7.926 12.535 923 HE ARG 117 HE ARG 117 -8.992 -9.259 11.136 924 1HH1 ARG 117 HH11 ARG 117 -8.406 -7.927 14.308 925 2HH1 ARG 117 HH12 ARG 117 -10.076 -7.579 14.607 926 1HH2 ARG 117 HH21 ARG 117 -11.187 -8.802 11.526 927 2HH2 ARG 117 HH22 ARG 117 -11.656 -8.077 13.027 928 H VAL 118 HN VAL 118 -5.105 -5.690 11.734 929 HA VAL 118 HA VAL 118 -2.581 -7.108 11.938 930 HB VAL 118 HB VAL 118 -1.337 -4.880 11.607 931 1HG1 VAL 118 1HG1 VAL 118 -1.082 -5.310 9.219 932 2HG1 VAL 118 2HG1 VAL 118 -2.558 -6.274 9.224 933 3HG1 VAL 118 3HG1 VAL 118 -1.143 -6.823 10.123 934 1HG2 VAL 118 1HG2 VAL 118 -2.645 -3.116 11.192 935 2HG2 VAL 118 2HG2 VAL 118 -4.037 -4.129 10.816 936 3HG2 VAL 118 3HG2 VAL 118 -2.838 -3.783 9.571 937 H ALA 119 HN ALA 119 -3.723 -3.821 12.763 938 HA ALA 119 HA ALA 119 -2.631 -4.071 15.410 939 1HB ALA 119 HB1 ALA 119 -4.160 -1.866 14.048 940 2HB ALA 119 HB2 ALA 119 -2.427 -1.943 14.365 941 3HB ALA 119 HB3 ALA 119 -3.562 -1.764 15.704 942 H LEU 120 HN LEU 120 -5.488 -2.300 15.583 943 HA LEU 120 HA LEU 120 -6.621 -3.913 17.565 944 1HB LEU 120 HB2 LEU 120 -7.964 -1.845 15.823 945 2HB LEU 120 HB1 LEU 120 -8.623 -2.499 17.310 946 HG LEU 120 HG LEU 120 -6.117 -0.831 17.067 947 1HD1 LEU 120 1HD1 LEU 120 -8.568 0.138 16.870 948 2HD1 LEU 120 2HD1 LEU 120 -7.309 0.974 17.779 949 3HD1 LEU 120 3HD1 LEU 120 -8.505 -0.007 18.626 950 1HD2 LEU 120 1HD2 LEU 120 -7.447 -2.119 19.443 951 2HD2 LEU 120 2HD2 LEU 120 -6.257 -0.825 19.570 952 3HD2 LEU 120 3HD2 LEU 120 -5.804 -2.372 18.855 953 HA PRO1135 HA PRO1135 15.753 -7.874 -12.500 954 1HB PRO1135 HB2 PRO1135 14.396 -9.515 -10.818 955 2HB PRO1135 HB1 PRO1135 14.468 -9.778 -12.564 956 1HG PRO1135 HG2 PRO1135 16.055 -11.081 -10.385 957 2HG PRO1135 HG1 PRO1135 15.302 -11.816 -11.813 958 1HD PRO1135 HD2 PRO1135 17.946 -11.240 -11.692 959 2HD PRO1135 HD1 PRO1135 17.022 -11.176 -13.206 960 H GLN1136 HN GLN1136 14.406 -7.305 -10.401 961 HA GLN1136 HA GLN1136 15.647 -7.331 -7.884 962 1HB GLN1136 HB2 GLN1136 17.302 -5.884 -9.044 963 2HB GLN1136 HB1 GLN1136 16.017 -4.744 -9.410 964 1HG GLN1136 HG2 GLN1136 17.280 -3.956 -7.535 965 2HG GLN1136 HG1 GLN1136 15.662 -4.397 -7.008 966 HA PRO1137 HA PRO1137 11.319 -5.616 -8.168 967 1HB PRO1137 HB2 PRO1137 9.854 -7.795 -7.733 968 2HB PRO1137 HB1 PRO1137 10.540 -7.471 -9.331 969 1HG PRO1137 HG2 PRO1137 11.471 -9.365 -7.216 970 2HG PRO1137 HG1 PRO1137 11.427 -9.581 -8.974 971 1HD PRO1137 HD2 PRO1137 13.669 -8.850 -7.487 972 2HD PRO1137 HD1 PRO1137 13.480 -8.638 -9.238 973 H GLU1138 HN GLU1138 10.681 -4.609 -6.368 974 HA GLU1138 HA GLU1138 10.625 -6.087 -3.836 975 1HB GLU1138 HB2 GLU1138 11.828 -3.350 -4.241 976 2HB GLU1138 HB1 GLU1138 11.360 -3.968 -2.671 977 1HG GLU1138 HG2 GLU1138 13.713 -4.233 -2.984 978 2HG GLU1138 HG1 GLU1138 12.941 -5.816 -2.936 979 2HN PTR1139 HN PTR1139 9.752 -2.985 -5.373 980 2HN PTR1139 HN PTR1139 9.752 -2.985 -5.373 981 HA PTR1139 HA PTR1139 7.410 -2.881 -3.692 982 HA PTR1139 HA PTR1139 7.410 -2.881 -3.692 983 1HB PTR1139 HB1 PTR1139 7.219 -0.576 -4.951 984 1HB PTR1139 HB1 PTR1139 7.219 -0.576 -4.951 985 2HB PTR1139 HB2 PTR1139 8.911 -0.889 -5.270 986 2HB PTR1139 HB2 PTR1139 8.911 -0.889 -5.270 987 HD1 PTR1139 HD1 PTR1139 6.431 -0.055 -2.779 988 HD1 PTR1139 HD1 PTR1139 6.431 -0.055 -2.779 989 HD2 PTR1139 HD2 PTR1139 10.545 -0.931 -3.373 990 HD2 PTR1139 HD2 PTR1139 10.545 -0.931 -3.373 991 HE1 PTR1139 HE1 PTR1139 6.943 0.849 -0.559 992 HE1 PTR1139 HE1 PTR1139 6.943 0.849 -0.559 993 HE2 PTR1139 HE2 PTR1139 11.057 0.007 -1.111 994 HE2 PTR1139 HE2 PTR1139 11.057 0.007 -1.111 995 H VAL1140 HN VAL1140 6.499 -1.061 -6.212 996 HA VAL1140 HA VAL1140 5.267 -3.312 -7.631 997 HB VAL1140 HB VAL1140 3.114 -2.067 -7.853 998 1HG1 VAL1140 1HG1 VAL1140 2.729 -2.464 -5.175 999 2HG1 VAL1140 2HG1 VAL1140 4.111 -3.490 -5.544 1000 3HG1 VAL1140 3HG1 VAL1140 2.601 -3.687 -6.437 1001 1HG2 VAL1140 1HG2 VAL1140 2.658 -0.465 -5.921 1002 2HG2 VAL1140 2HG2 VAL1140 3.512 0.138 -7.330 1003 3HG2 VAL1140 3HG2 VAL1140 4.408 -0.271 -5.863 1004 H ASN1141 HN ASN1141 4.781 0.262 -8.191 1005 HA ASN1141 HA ASN1141 4.883 0.178 -10.924 1006 1HB ASN1141 HB2 ASN1141 6.757 2.077 -9.473 1007 2HB ASN1141 HB1 ASN1141 5.975 2.325 -11.016 1008 1HD2 ASN1141 1HD2 ASN1141 4.806 1.551 -7.740 1009 2HD2 ASN1141 2HD2 ASN1141 3.767 2.908 -7.580 1010 H GLN1142 HN GLN1142 7.233 -0.027 -8.441 1011 HA GLN1142 HA GLN1142 8.541 -2.228 -8.958 1012 1HB GLN1142 HB2 GLN1142 10.614 -1.728 -10.057 1013 2HB GLN1142 HB1 GLN1142 9.302 -1.296 -11.130 1014 1HG GLN1142 HG2 GLN1142 10.952 0.600 -9.476 1015 2HG GLN1142 HG1 GLN1142 11.047 0.378 -11.222 1016 HA PRO1143 HA PRO1143 10.566 -0.955 -5.274 1017 1HB PRO1143 HB2 PRO1143 13.356 -0.763 -6.254 1018 2HB PRO1143 HB1 PRO1143 12.685 -1.804 -4.995 1019 1HG PRO1143 HG2 PRO1143 13.432 -2.758 -7.402 1020 2HG PRO1143 HG1 PRO1143 12.079 -3.442 -6.489 1021 1HD PRO1143 HD2 PRO1143 12.050 -1.631 -8.858 1022 2HD PRO1143 HD1 PRO1143 10.941 -2.952 -8.434 1023 H ASP1144 HN ASP1144 9.471 1.054 -6.375 1024 HA ASP1144 HA ASP1144 9.421 3.227 -6.967 1025 1HB ASP1144 HB2 ASP1144 10.179 4.679 -5.102 1026 2HB ASP1144 HB1 ASP1144 9.273 3.278 -4.540 Start of MODEL 8 1 1H GLY 1 HT1 GLY 1 22.110 8.215 -6.794 2 2H GLY 1 HT2 GLY 1 23.485 7.241 -6.939 3 3H GLY 1 HT3 GLY 1 23.644 8.924 -6.881 4 1HA GLY 1 HA1 GLY 1 23.299 7.017 -4.730 5 2HA GLY 1 HA2 GLY 1 24.113 8.574 -4.728 6 H SER 2 HN SER 2 21.188 6.877 -4.086 7 HA SER 2 HA SER 2 20.168 9.186 -2.670 8 1HB SER 2 HB2 SER 2 19.143 9.593 -4.792 9 2HB SER 2 HB1 SER 2 18.635 7.916 -4.943 10 HG SER 2 HG SER 2 17.679 9.873 -3.136 11 HA PRO 3 HA PRO 3 17.452 5.359 -1.387 12 1HB PRO 3 HB2 PRO 3 18.283 2.961 -2.474 13 2HB PRO 3 HB1 PRO 3 16.923 3.916 -3.072 14 1HG PRO 3 HG2 PRO 3 19.740 3.796 -4.072 15 2HG PRO 3 HG1 PRO 3 18.225 3.847 -4.992 16 1HD PRO 3 HD2 PRO 3 19.732 6.031 -4.701 17 2HD PRO 3 HD1 PRO 3 17.960 6.132 -4.668 18 H ALA 4 HN ALA 4 18.045 4.766 0.596 19 HA ALA 4 HA ALA 4 20.528 3.320 1.029 20 1HB ALA 4 HB1 ALA 4 21.583 5.288 1.435 21 2HB ALA 4 HB2 ALA 4 20.870 5.048 3.030 22 3HB ALA 4 HB3 ALA 4 20.093 6.125 1.871 23 H SER 5 HN SER 5 20.734 2.671 3.380 24 HA SER 5 HA SER 5 18.234 2.595 4.857 25 1HB SER 5 HB2 SER 5 18.252 0.130 5.046 26 2HB SER 5 HB1 SER 5 18.018 0.658 3.381 27 HG SER 5 HG SER 5 19.681 -0.535 2.943 28 H GLY 6 HN GLY 6 18.681 2.927 6.930 29 1HA GLY 6 HA2 GLY 6 20.264 1.602 8.641 30 2HA GLY 6 HA1 GLY 6 21.418 2.676 7.866 31 H THR 7 HN THR 7 18.104 2.978 9.156 32 HA THR 7 HA THR 7 19.017 4.991 11.042 33 HB THR 7 HB THR 7 16.930 5.605 8.939 34 HG1 THR 7 HG1 THR 7 19.062 5.806 8.183 35 1HG2 THR 7 1HG2 THR 7 16.223 6.730 10.885 36 2HG2 THR 7 2HG2 THR 7 17.071 7.921 9.899 37 3HG2 THR 7 3HG2 THR 7 17.871 7.203 11.297 38 H SER 8 HN SER 8 17.259 5.652 12.543 39 HA SER 8 HA SER 8 15.093 3.677 12.720 40 1HB SER 8 HB2 SER 8 16.923 4.478 14.997 41 2HB SER 8 HB1 SER 8 15.484 3.471 15.158 42 HG SER 8 HG SER 8 16.582 2.095 13.516 43 H LEU 9 HN LEU 9 13.283 4.824 12.581 44 HA LEU 9 HA LEU 9 12.919 7.102 14.373 45 1HB LEU 9 HB2 LEU 9 12.339 7.213 11.412 46 2HB LEU 9 HB1 LEU 9 11.906 8.450 12.577 47 HG LEU 9 HG LEU 9 14.715 7.631 11.832 48 1HD1 LEU 9 1HD1 LEU 9 13.060 9.123 10.333 49 2HD1 LEU 9 2HD1 LEU 9 14.804 9.377 10.407 50 3HD1 LEU 9 3HD1 LEU 9 13.725 10.371 11.387 51 1HD2 LEU 9 1HD2 LEU 9 13.730 8.902 14.173 52 2HD2 LEU 9 2HD2 LEU 9 14.589 10.108 13.216 53 3HD2 LEU 9 3HD2 LEU 9 15.404 8.620 13.694 54 H SER 10 HN SER 10 10.561 7.839 14.316 55 HA SER 10 HA SER 10 8.673 5.767 13.556 56 1HB SER 10 HB2 SER 10 9.385 5.040 15.784 57 2HB SER 10 HB1 SER 10 9.004 6.632 16.439 58 HG SER 10 HG SER 10 7.361 4.532 15.950 59 H ALA 11 HN ALA 11 6.503 6.473 13.512 60 HA ALA 11 HA ALA 11 5.922 9.235 14.210 61 1HB ALA 11 HB1 ALA 11 6.543 9.856 12.111 62 2HB ALA 11 HB2 ALA 11 4.881 9.375 11.771 63 3HB ALA 11 HB3 ALA 11 6.209 8.269 11.421 64 H ALA 12 HN ALA 12 3.715 9.671 14.427 65 HA ALA 12 HA ALA 12 1.793 7.589 13.781 66 1HB ALA 12 HB1 ALA 12 1.987 8.538 16.628 67 2HB ALA 12 HB2 ALA 12 2.767 7.064 16.055 68 3HB ALA 12 HB3 ALA 12 1.011 7.220 15.979 69 H ILE 13 HN ILE 13 1.366 9.527 12.365 70 HA ILE 13 HA ILE 13 0.137 11.817 13.609 71 HB ILE 13 HB ILE 13 1.395 12.046 11.507 72 1HG1 ILE 13 2HG1 ILE 13 -1.546 12.714 11.240 73 2HG1 ILE 13 1HG1 ILE 13 -0.341 13.692 12.068 74 1HG2 ILE 13 1HG2 ILE 13 -0.782 10.927 9.865 75 2HG2 ILE 13 2HG2 ILE 13 0.231 9.759 10.713 76 3HG2 ILE 13 3HG2 ILE 13 0.962 10.919 9.603 77 1HD1 ILE 13 1HD1 ILE 13 0.401 14.590 10.165 78 2HD1 ILE 13 2HD1 ILE 13 -1.129 14.026 9.495 79 3HD1 ILE 13 3HD1 ILE 13 0.331 13.057 9.296 80 H HIS 14 HN HIS 14 -1.345 10.100 14.735 81 HA HIS 14 HA HIS 14 -3.786 9.792 13.105 82 1HB HIS 14 HB2 HIS 14 -2.892 8.106 15.453 83 2HB HIS 14 HB1 HIS 14 -4.376 7.883 14.533 84 HD1 HIS 14 HD1 HIS 14 -0.718 8.194 13.526 85 HD2 HIS 14 HD2 HIS 14 -4.031 5.777 12.888 86 HE1 HIS 14 HE1 HIS 14 0.052 6.416 11.934 87 HE2 HIS 14 HE2 HIS 14 -1.929 4.881 11.677 88 H ARG 15 HN ARG 15 -5.677 10.612 13.884 89 HA ARG 15 HA ARG 15 -5.602 11.765 16.577 90 1HB ARG 15 HB2 ARG 15 -7.076 13.585 15.758 91 2HB ARG 15 HB1 ARG 15 -5.485 13.580 15.002 92 1HG ARG 15 HG2 ARG 15 -6.384 12.562 13.004 93 2HG ARG 15 HG1 ARG 15 -7.964 12.384 13.764 94 1HD ARG 15 HD2 ARG 15 -6.589 14.955 12.960 95 2HD ARG 15 HD1 ARG 15 -8.056 14.256 12.284 96 HE ARG 15 HE ARG 15 -8.509 14.667 14.998 97 1HH1 ARG 15 HH11 ARG 15 -7.901 16.559 12.129 98 2HH1 ARG 15 HH12 ARG 15 -8.793 17.931 12.693 99 1HH2 ARG 15 HH21 ARG 15 -9.683 16.472 15.742 100 2HH2 ARG 15 HH22 ARG 15 -9.806 17.882 14.744 101 H THR 16 HN THR 16 -6.901 9.452 14.834 102 HA THR 16 HA THR 16 -9.244 9.272 16.557 103 HB THR 16 HB THR 16 -10.685 8.579 14.670 104 HG1 THR 16 HG1 THR 16 -8.558 9.474 13.026 105 1HG2 THR 16 1HG2 THR 16 -9.577 11.231 13.874 106 2HG2 THR 16 2HG2 THR 16 -10.413 11.038 15.415 107 3HG2 THR 16 3HG2 THR 16 -11.249 10.674 13.906 108 H GLN 17 HN GLN 17 -8.823 7.226 13.770 109 HA GLN 17 HA GLN 17 -7.400 5.180 15.244 110 1HB GLN 17 HB2 GLN 17 -9.167 3.469 14.729 111 2HB GLN 17 HB1 GLN 17 -9.621 4.649 15.950 112 1HG GLN 17 HG2 GLN 17 -11.483 4.257 14.498 113 2HG GLN 17 HG1 GLN 17 -10.883 5.892 14.234 114 H LEU 18 HN LEU 18 -6.938 6.836 12.913 115 HA LEU 18 HA LEU 18 -7.362 5.673 10.460 116 1HB LEU 18 HB2 LEU 18 -4.764 6.973 11.255 117 2HB LEU 18 HB1 LEU 18 -5.480 6.908 9.657 118 HG LEU 18 HG LEU 18 -6.480 8.501 12.015 119 1HD1 LEU 18 1HD1 LEU 18 -6.093 10.357 10.264 120 2HD1 LEU 18 2HD1 LEU 18 -5.051 9.173 9.477 121 3HD1 LEU 18 3HD1 LEU 18 -4.707 9.692 11.127 122 1HD2 LEU 18 1HD2 LEU 18 -7.643 8.553 9.251 123 2HD2 LEU 18 2HD2 LEU 18 -8.312 9.203 10.749 124 3HD2 LEU 18 3HD2 LEU 18 -8.251 7.459 10.495 125 H TRP 19 HN TRP 19 -5.931 4.470 9.056 126 HA TRP 19 HA TRP 19 -4.379 2.443 10.521 127 1HB TRP 19 HB2 TRP 19 -4.842 1.179 8.211 128 2HB TRP 19 HB1 TRP 19 -5.955 1.104 9.568 129 HD1 TRP 19 HD1 TRP 19 -8.298 1.104 8.606 130 HE1 TRP 19 HE1 TRP 19 -9.585 2.453 6.837 131 HE3 TRP 19 HE3 TRP 19 -4.480 4.040 6.858 132 HZ2 TRP 19 HZ2 TRP 19 -9.062 4.483 4.958 133 HZ3 TRP 19 HZ3 TRP 19 -4.964 5.655 5.075 134 HH2 TRP 19 HH2 TRP 19 -7.209 5.872 4.143 135 H PHE 20 HN PHE 20 -3.037 4.666 10.050 136 HA PHE 20 HA PHE 20 -1.438 4.170 7.636 137 1HB PHE 20 HB2 PHE 20 -2.432 6.368 7.613 138 2HB PHE 20 HB1 PHE 20 -1.853 6.697 9.242 139 HD1 PHE 20 HD1 PHE 20 -0.240 5.440 6.112 140 HD2 PHE 20 HD2 PHE 20 -0.244 8.317 9.244 141 HE1 PHE 20 HE1 PHE 20 1.803 6.445 5.183 142 HE2 PHE 20 HE2 PHE 20 1.799 9.331 8.320 143 HZ PHE 20 HZ PHE 20 2.824 8.395 6.286 144 H HIS 21 HN HIS 21 0.703 3.849 7.752 145 HA HIS 21 HA HIS 21 2.086 4.176 10.312 146 1HB HIS 21 HB2 HIS 21 1.363 1.866 10.352 147 2HB HIS 21 HB1 HIS 21 1.962 1.599 8.724 148 HD1 HIS 21 HD1 HIS 21 4.671 1.740 8.500 149 HD2 HIS 21 HD2 HIS 21 3.122 1.266 12.326 150 HE1 HIS 21 HE1 HIS 21 6.591 0.931 9.907 151 HE2 HIS 21 HE2 HIS 21 5.653 0.750 12.239 152 H GLY 22 HN GLY 22 4.581 3.762 9.919 153 1HA GLY 22 HA2 GLY 22 5.222 5.198 7.456 154 2HA GLY 22 HA1 GLY 22 6.253 5.060 8.872 155 H ARG 23 HN ARG 23 8.052 3.982 8.346 156 HA ARG 23 HA ARG 23 8.112 2.146 6.161 157 1HB ARG 23 HB2 ARG 23 10.046 3.512 6.629 158 2HB ARG 23 HB1 ARG 23 10.210 2.801 8.225 159 1HG ARG 23 HG2 ARG 23 10.656 0.619 7.172 160 2HG ARG 23 HG1 ARG 23 10.560 1.389 5.588 161 1HD ARG 23 HD2 ARG 23 12.878 1.129 6.313 162 2HD ARG 23 HD1 ARG 23 12.438 2.830 6.162 163 HE ARG 23 HE ARG 23 12.005 2.051 8.808 164 1HH1 ARG 23 HH11 ARG 23 14.663 2.500 6.593 165 2HH1 ARG 23 HH12 ARG 23 15.799 2.892 7.841 166 1HH2 ARG 23 HH21 ARG 23 13.493 2.567 10.447 167 2HH2 ARG 23 HH22 ARG 23 15.134 2.931 10.029 168 H ILE 24 HN ILE 24 6.906 0.365 6.501 169 HA ILE 24 HA ILE 24 7.709 -1.362 8.757 170 HB ILE 24 HB ILE 24 5.272 -0.841 8.705 171 1HG1 ILE 24 2HG1 ILE 24 5.979 -3.719 8.085 172 2HG1 ILE 24 1HG1 ILE 24 6.073 -2.954 9.668 173 1HG2 ILE 24 1HG2 ILE 24 5.180 -2.432 6.153 174 2HG2 ILE 24 2HG2 ILE 24 5.170 -0.670 6.204 175 3HG2 ILE 24 3HG2 ILE 24 3.857 -1.579 6.950 176 1HD1 ILE 24 1HD1 ILE 24 4.040 -3.804 9.983 177 2HD1 ILE 24 2HD1 ILE 24 3.785 -4.075 8.259 178 3HD1 ILE 24 3HD1 ILE 24 3.481 -2.483 8.956 179 H SER 25 HN SER 25 9.081 -2.916 8.161 180 HA SER 25 HA SER 25 10.207 -3.431 5.814 181 1HB SER 25 HB2 SER 25 10.810 -4.611 7.885 182 2HB SER 25 HB1 SER 25 9.371 -5.618 7.729 183 HG SER 25 HG SER 25 11.387 -5.463 5.745 184 H ARG 26 HN ARG 26 8.669 -3.018 4.148 185 HA ARG 26 HA ARG 26 6.337 -4.346 3.619 186 1HB ARG 26 HB2 ARG 26 6.675 -3.815 1.243 187 2HB ARG 26 HB1 ARG 26 7.084 -2.449 2.263 188 1HG ARG 26 HG2 ARG 26 9.092 -4.348 1.064 189 2HG ARG 26 HG1 ARG 26 8.628 -2.798 0.368 190 1HD ARG 26 HD2 ARG 26 9.280 -1.830 2.668 191 2HD ARG 26 HD1 ARG 26 10.130 -3.357 2.895 192 HE ARG 26 HE ARG 26 10.899 -2.320 0.425 193 1HH1 ARG 26 HH11 ARG 26 11.190 -1.545 3.819 194 2HH1 ARG 26 HH12 ARG 26 12.666 -0.661 3.618 195 1HH2 ARG 26 HH21 ARG 26 12.832 -1.144 0.162 196 2HH2 ARG 26 HH22 ARG 26 13.597 -0.433 1.545 197 H GLU 27 HN GLU 27 9.601 -5.374 2.640 198 HA GLU 27 HA GLU 27 8.838 -7.704 1.290 199 1HB GLU 27 HB2 GLU 27 11.164 -8.439 1.611 200 2HB GLU 27 HB1 GLU 27 11.067 -6.768 1.071 201 1HG GLU 27 HG2 GLU 27 11.435 -6.012 3.370 202 2HG GLU 27 HG1 GLU 27 11.557 -7.692 3.892 203 H GLU 28 HN GLU 28 9.757 -7.245 4.701 204 HA GLU 28 HA GLU 28 9.354 -10.019 5.331 205 1HB GLU 28 HB2 GLU 28 9.675 -7.638 7.163 206 2HB GLU 28 HB1 GLU 28 9.721 -9.321 7.663 207 1HG GLU 28 HG2 GLU 28 11.666 -7.971 5.806 208 2HG GLU 28 HG1 GLU 28 11.955 -8.399 7.492 209 H SER 29 HN SER 29 7.355 -7.216 5.187 210 HA SER 29 HA SER 29 5.381 -7.942 7.058 211 1HB SER 29 HB2 SER 29 5.500 -5.681 6.174 212 2HB SER 29 HB1 SER 29 5.172 -6.270 4.545 213 HG SER 29 HG SER 29 3.118 -6.951 5.298 214 H GLN 30 HN GLN 30 5.975 -8.873 3.750 215 HA GLN 30 HA GLN 30 3.488 -9.979 3.125 216 1HB GLN 30 HB2 GLN 30 6.162 -10.988 2.164 217 2HB GLN 30 HB1 GLN 30 4.609 -11.169 1.360 218 1HG GLN 30 HG2 GLN 30 4.493 -8.755 1.032 219 2HG GLN 30 HG1 GLN 30 6.062 -8.579 1.814 220 H ARG 31 HN ARG 31 6.114 -11.207 5.050 221 HA ARG 31 HA ARG 31 5.132 -13.902 5.119 222 1HB ARG 31 HB2 ARG 31 7.506 -13.425 5.462 223 2HB ARG 31 HB1 ARG 31 7.125 -12.476 6.890 224 1HG ARG 31 HG2 ARG 31 7.948 -14.616 7.572 225 2HG ARG 31 HG1 ARG 31 6.231 -14.519 7.960 226 1HD ARG 31 HD2 ARG 31 7.288 -15.808 5.453 227 2HD ARG 31 HD1 ARG 31 7.014 -16.695 6.951 228 HE ARG 31 HE ARG 31 4.658 -15.353 6.343 229 1HH1 ARG 31 HH11 ARG 31 6.643 -17.869 4.965 230 2HH1 ARG 31 HH12 ARG 31 5.313 -18.672 4.200 231 1HH2 ARG 31 HH21 ARG 31 2.908 -16.407 5.339 232 2HH2 ARG 31 HH22 ARG 31 3.192 -17.842 4.412 233 H LEU 32 HN LEU 32 4.897 -11.048 7.181 234 HA LEU 32 HA LEU 32 3.505 -12.399 9.291 235 1HB LEU 32 HB2 LEU 32 3.762 -9.454 8.700 236 2HB LEU 32 HB1 LEU 32 3.225 -10.157 10.215 237 HG LEU 32 HG LEU 32 5.920 -10.903 9.174 238 1HD1 LEU 32 1HD1 LEU 32 6.848 -8.944 10.410 239 2HD1 LEU 32 2HD1 LEU 32 5.211 -8.289 10.485 240 3HD1 LEU 32 3HD1 LEU 32 5.990 -8.542 8.921 241 1HD2 LEU 32 1HD2 LEU 32 5.242 -12.063 11.117 242 2HD2 LEU 32 2HD2 LEU 32 4.628 -10.592 11.873 243 3HD2 LEU 32 3HD2 LEU 32 6.365 -10.818 11.665 244 H ILE 33 HN ILE 33 2.440 -9.745 7.153 245 HA ILE 33 HA ILE 33 -0.320 -10.198 7.723 246 HB ILE 33 HB ILE 33 0.992 -8.512 5.581 247 1HG1 ILE 33 2HG1 ILE 33 0.270 -6.636 7.079 248 2HG1 ILE 33 1HG1 ILE 33 -0.211 -7.833 8.275 249 1HG2 ILE 33 1HG2 ILE 33 -1.830 -9.143 6.102 250 2HG2 ILE 33 2HG2 ILE 33 -1.050 -8.548 4.638 251 3HG2 ILE 33 3HG2 ILE 33 -1.470 -7.426 5.931 252 1HD1 ILE 33 1HD1 ILE 33 2.066 -6.685 8.516 253 2HD1 ILE 33 2HD1 ILE 33 2.583 -7.758 7.217 254 3HD1 ILE 33 3HD1 ILE 33 1.981 -8.433 8.731 255 H GLY 34 HN GLY 34 1.795 -11.920 5.784 256 1HA GLY 34 HA2 GLY 34 -0.259 -12.559 3.793 257 2HA GLY 34 HA1 GLY 34 1.428 -13.050 3.727 258 H GLN 35 HN GLN 35 -0.243 -13.319 6.687 259 HA GLN 35 HA GLN 35 -0.319 -16.232 6.420 260 1HB GLN 35 HB2 GLN 35 -0.335 -16.334 8.828 261 2HB GLN 35 HB1 GLN 35 0.962 -15.251 8.345 262 1HG GLN 35 HG2 GLN 35 -0.041 -14.184 10.151 263 2HG GLN 35 HG1 GLN 35 -0.704 -13.360 8.740 264 H GLN 36 HN GLN 36 -2.193 -13.406 6.314 265 HA GLN 36 HA GLN 36 -4.579 -14.234 7.521 266 1HB GLN 36 HB2 GLN 36 -3.755 -12.112 5.701 267 2HB GLN 36 HB1 GLN 36 -5.405 -12.655 5.410 268 1HG GLN 36 HG2 GLN 36 -6.163 -11.723 7.284 269 2HG GLN 36 HG1 GLN 36 -4.798 -12.310 8.232 270 H GLY 37 HN GLY 37 -6.659 -14.415 5.966 271 1HA GLY 37 HA2 GLY 37 -6.035 -16.460 3.926 272 2HA GLY 37 HA1 GLY 37 -7.310 -16.713 5.114 273 H LEU 38 HN LEU 38 -7.259 -13.482 4.314 274 HA LEU 38 HA LEU 38 -9.682 -13.746 2.790 275 1HB LEU 38 HB2 LEU 38 -8.115 -11.311 3.620 276 2HB LEU 38 HB1 LEU 38 -9.665 -11.267 2.804 277 HG LEU 38 HG LEU 38 -9.975 -10.868 5.167 278 1HD1 LEU 38 1HD1 LEU 38 -11.449 -12.543 3.697 279 2HD1 LEU 38 2HD1 LEU 38 -11.821 -12.153 5.377 280 3HD1 LEU 38 3HD1 LEU 38 -10.966 -13.645 4.986 281 1HD2 LEU 38 1HD2 LEU 38 -9.272 -12.308 6.877 282 2HD2 LEU 38 2HD2 LEU 38 -7.881 -12.175 5.802 283 3HD2 LEU 38 3HD2 LEU 38 -8.902 -13.612 5.748 284 H VAL 39 HN VAL 39 -9.985 -12.301 0.854 285 HA VAL 39 HA VAL 39 -8.084 -13.049 -1.164 286 HB VAL 39 HB VAL 39 -9.674 -11.997 -2.729 287 1HG1 VAL 39 1HG1 VAL 39 -10.306 -14.168 -2.542 288 2HG1 VAL 39 2HG1 VAL 39 -11.731 -13.436 -1.803 289 3HG1 VAL 39 3HG1 VAL 39 -10.447 -14.090 -0.786 290 1HG2 VAL 39 1HG2 VAL 39 -10.900 -10.307 -1.937 291 2HG2 VAL 39 2HG2 VAL 39 -10.596 -10.777 -0.261 292 3HG2 VAL 39 3HG2 VAL 39 -11.919 -11.522 -1.163 293 H ASP 40 HN ASP 40 -7.907 -11.224 -2.992 294 HA ASP 40 HA ASP 40 -6.033 -9.345 -2.005 295 1HB ASP 40 HB2 ASP 40 -7.524 -9.245 -4.636 296 2HB ASP 40 HB1 ASP 40 -5.984 -8.480 -4.266 297 H GLY 41 HN GLY 41 -8.054 -8.950 -0.388 298 1HA GLY 41 HA2 GLY 41 -9.130 -6.326 -1.274 299 2HA GLY 41 HA1 GLY 41 -10.178 -7.500 -0.489 300 H LEU 42 HN LEU 42 -7.409 -7.994 1.064 301 HA LEU 42 HA LEU 42 -8.162 -6.096 3.149 302 1HB LEU 42 HB2 LEU 42 -6.537 -8.634 3.209 303 2HB LEU 42 HB1 LEU 42 -6.671 -7.559 4.584 304 HG LEU 42 HG LEU 42 -8.193 -9.617 4.531 305 1HD1 LEU 42 1HD1 LEU 42 -9.978 -7.303 4.809 306 2HD1 LEU 42 2HD1 LEU 42 -8.467 -7.198 5.711 307 3HD1 LEU 42 3HD1 LEU 42 -9.554 -8.561 5.970 308 1HD2 LEU 42 1HD2 LEU 42 -10.230 -9.467 3.271 309 2HD2 LEU 42 2HD2 LEU 42 -8.863 -9.356 2.162 310 3HD2 LEU 42 3HD2 LEU 42 -9.755 -7.902 2.612 311 H PHE 43 HN PHE 43 -7.266 -4.267 2.580 312 HA PHE 43 HA PHE 43 -4.360 -4.209 2.072 313 1HB PHE 43 HB2 PHE 43 -4.733 -2.194 0.795 314 2HB PHE 43 HB1 PHE 43 -5.873 -3.420 0.241 315 HD1 PHE 43 HD1 PHE 43 -5.585 -0.508 2.539 316 HD2 PHE 43 HD2 PHE 43 -8.137 -2.937 0.158 317 HE1 PHE 43 HE1 PHE 43 -7.450 1.032 2.978 318 HE2 PHE 43 HE2 PHE 43 -10.009 -1.398 0.594 319 HZ PHE 43 HZ PHE 43 -9.667 0.589 2.002 320 H LEU 44 HN LEU 44 -3.236 -2.231 2.728 321 HA LEU 44 HA LEU 44 -4.347 -0.807 5.028 322 1HB LEU 44 HB2 LEU 44 -3.011 -2.717 5.912 323 2HB LEU 44 HB1 LEU 44 -1.617 -2.110 5.042 324 HG LEU 44 HG LEU 44 -1.740 -0.016 6.406 325 1HD1 LEU 44 1HD1 LEU 44 -3.127 0.093 8.336 326 2HD1 LEU 44 2HD1 LEU 44 -3.702 -1.556 8.091 327 3HD1 LEU 44 3HD1 LEU 44 -4.163 -0.283 6.960 328 1HD2 LEU 44 1HD2 LEU 44 -1.162 -1.325 8.618 329 2HD2 LEU 44 2HD2 LEU 44 -0.102 -1.397 7.210 330 3HD2 LEU 44 3HD2 LEU 44 -1.221 -2.720 7.539 331 H VAL 45 HN VAL 45 -2.991 1.199 5.504 332 HA VAL 45 HA VAL 45 -1.554 2.032 3.056 333 HB VAL 45 HB VAL 45 -3.416 3.737 4.717 334 1HG1 VAL 45 1HG1 VAL 45 -2.827 5.192 2.491 335 2HG1 VAL 45 2HG1 VAL 45 -1.278 4.414 2.819 336 3HG1 VAL 45 3HG1 VAL 45 -2.049 5.401 4.059 337 1HG2 VAL 45 1HG2 VAL 45 -4.670 3.896 2.569 338 2HG2 VAL 45 2HG2 VAL 45 -4.643 2.274 3.263 339 3HG2 VAL 45 3HG2 VAL 45 -3.591 2.669 1.902 340 H ARG 46 HN ARG 46 0.484 1.938 3.655 341 HA ARG 46 HA ARG 46 1.327 3.783 5.736 342 1HB ARG 46 HB2 ARG 46 2.294 2.290 7.107 343 2HB ARG 46 HB1 ARG 46 1.237 1.118 6.343 344 1HG ARG 46 HG2 ARG 46 4.088 1.692 5.583 345 2HG ARG 46 HG1 ARG 46 3.514 0.316 6.516 346 1HD ARG 46 HD2 ARG 46 2.163 -0.403 4.581 347 2HD ARG 46 HD1 ARG 46 2.825 0.938 3.646 348 HE ARG 46 HE ARG 46 4.058 -1.539 4.070 349 1HH1 ARG 46 HH11 ARG 46 4.801 1.847 3.958 350 2HH1 ARG 46 HH12 ARG 46 6.487 1.602 3.690 351 1HH2 ARG 46 HH21 ARG 46 6.284 -1.880 3.694 352 2HH2 ARG 46 HH22 ARG 46 7.333 -0.518 3.525 353 H GLU 47 HN GLU 47 3.871 4.029 5.548 354 HA GLU 47 HA GLU 47 4.562 3.623 2.746 355 1HB GLU 47 HB2 GLU 47 5.187 5.987 2.513 356 2HB GLU 47 HB1 GLU 47 3.475 5.746 2.766 357 1HG GLU 47 HG2 GLU 47 4.041 7.590 4.080 358 2HG GLU 47 HG1 GLU 47 3.907 6.242 5.205 359 H SER 48 HN SER 48 6.789 5.379 2.713 360 HA SER 48 HA SER 48 8.595 3.785 4.405 361 1HB SER 48 HB2 SER 48 8.855 3.505 1.936 362 2HB SER 48 HB1 SER 48 9.244 5.216 1.818 363 HG SER 48 HG SER 48 10.678 3.452 3.496 364 H GLN 49 HN GLN 49 9.768 4.781 5.883 365 HA GLN 49 HA GLN 49 9.825 7.705 5.878 366 1HB GLN 49 HB2 GLN 49 10.270 7.606 8.227 367 2HB GLN 49 HB1 GLN 49 8.984 6.442 7.927 368 1HG GLN 49 HG2 GLN 49 10.472 5.430 9.438 369 2HG GLN 49 HG1 GLN 49 10.753 4.668 7.880 370 H ARG 50 HN ARG 50 11.434 5.352 4.541 371 HA ARG 50 HA ARG 50 14.122 6.411 5.058 372 1HB ARG 50 HB2 ARG 50 13.910 4.013 5.534 373 2HB ARG 50 HB1 ARG 50 13.279 3.736 3.918 374 1HG ARG 50 HG2 ARG 50 15.577 3.060 4.000 375 2HG ARG 50 HG1 ARG 50 15.436 4.494 2.983 376 1HD ARG 50 HD2 ARG 50 16.207 4.600 5.892 377 2HD ARG 50 HD1 ARG 50 17.384 4.460 4.589 378 HE ARG 50 HE ARG 50 15.764 6.641 4.007 379 1HH1 ARG 50 HH11 ARG 50 18.049 5.688 6.465 380 2HH1 ARG 50 HH12 ARG 50 18.555 7.310 6.798 381 1HH2 ARG 50 HH21 ARG 50 16.427 8.774 4.444 382 2HH2 ARG 50 HH22 ARG 50 17.635 9.061 5.652 383 H ASN 51 HN ASN 51 11.745 5.524 2.576 384 HA ASN 51 HA ASN 51 13.461 6.424 0.436 385 1HB ASN 51 HB2 ASN 51 10.509 5.776 0.382 386 2HB ASN 51 HB1 ASN 51 11.579 5.916 -1.011 387 1HD2 ASN 51 1HD2 ASN 51 13.519 4.557 1.192 388 2HD2 ASN 51 2HD2 ASN 51 13.196 2.890 0.907 389 HA PRO 52 HA PRO 52 12.801 10.826 1.169 390 1HB PRO 52 HB2 PRO 52 13.109 10.684 -1.810 391 2HB PRO 52 HB1 PRO 52 13.795 11.844 -0.670 392 1HG PRO 52 HG2 PRO 52 15.248 9.808 -1.632 393 2HG PRO 52 HG1 PRO 52 15.442 10.387 0.031 394 1HD PRO 52 HD2 PRO 52 14.254 7.874 -0.949 395 2HD PRO 52 HD1 PRO 52 14.902 8.265 0.655 396 H GLN 53 HN GLN 53 11.167 8.941 -1.312 397 HA GLN 53 HA GLN 53 8.749 10.573 -0.901 398 1HB GLN 53 HB2 GLN 53 9.469 9.132 -3.462 399 2HB GLN 53 HB1 GLN 53 8.081 10.163 -3.183 400 1HG GLN 53 HG2 GLN 53 9.544 11.481 -4.412 401 2HG GLN 53 HG1 GLN 53 9.736 12.034 -2.753 402 H GLY 54 HN GLY 54 8.451 8.990 0.858 403 1HA GLY 54 HA2 GLY 54 7.821 6.283 -0.052 404 2HA GLY 54 HA1 GLY 54 8.064 6.781 1.609 405 H PHE 55 HN PHE 55 5.842 6.219 -0.874 406 HA PHE 55 HA PHE 55 3.580 6.496 0.933 407 1HB PHE 55 HB2 PHE 55 3.674 7.685 -1.862 408 2HB PHE 55 HB1 PHE 55 2.197 7.463 -0.933 409 HD1 PHE 55 HD1 PHE 55 5.573 9.012 -0.539 410 HD2 PHE 55 HD2 PHE 55 1.395 9.263 0.227 411 HE1 PHE 55 HE1 PHE 55 5.904 11.207 0.519 412 HE2 PHE 55 HE2 PHE 55 1.717 11.462 1.281 413 HZ PHE 55 HZ PHE 55 3.974 12.438 1.429 414 H VAL 56 HN VAL 56 2.855 4.454 1.046 415 HA VAL 56 HA VAL 56 2.556 2.932 -1.442 416 HB VAL 56 HB VAL 56 4.152 1.476 -0.864 417 1HG1 VAL 56 1HG1 VAL 56 5.617 1.822 0.818 418 2HG1 VAL 56 2HG1 VAL 56 4.351 2.013 2.027 419 3HG1 VAL 56 3HG1 VAL 56 4.758 3.354 0.953 420 1HG2 VAL 56 1HG2 VAL 56 2.400 0.835 1.502 421 2HG2 VAL 56 2HG2 VAL 56 3.689 -0.183 0.870 422 3HG2 VAL 56 3HG2 VAL 56 2.264 0.140 -0.114 423 H LEU 57 HN LEU 57 1.070 1.299 -1.466 424 HA LEU 57 HA LEU 57 -0.966 1.376 0.653 425 1HB LEU 57 HB2 LEU 57 -1.640 2.260 -1.657 426 2HB LEU 57 HB1 LEU 57 -1.446 0.616 -2.231 427 HG LEU 57 HG LEU 57 -3.434 1.596 -0.186 428 1HD1 LEU 57 1HD1 LEU 57 -3.512 1.057 -3.057 429 2HD1 LEU 57 2HD1 LEU 57 -4.588 2.023 -2.050 430 3HD1 LEU 57 3HD1 LEU 57 -4.799 0.275 -2.140 431 1HD2 LEU 57 1HD2 LEU 57 -2.613 -1.173 -0.970 432 2HD2 LEU 57 2HD2 LEU 57 -4.257 -0.835 -0.430 433 3HD2 LEU 57 3HD2 LEU 57 -2.891 -0.504 0.638 434 H SER 58 HN SER 58 -1.175 -0.544 1.689 435 HA SER 58 HA SER 58 0.294 -2.821 0.585 436 1HB SER 58 HB2 SER 58 -0.876 -2.543 3.357 437 2HB SER 58 HB1 SER 58 0.340 -3.702 2.818 438 HG SER 58 HG SER 58 0.733 -0.901 2.720 439 H LEU 59 HN LEU 59 -0.628 -4.762 0.144 440 HA LEU 59 HA LEU 59 -3.556 -4.897 0.383 441 1HB LEU 59 HB2 LEU 59 -1.786 -5.820 -1.876 442 2HB LEU 59 HB1 LEU 59 -3.506 -6.163 -1.764 443 HG LEU 59 HG LEU 59 -2.598 -3.321 -1.605 444 1HD1 LEU 59 1HD1 LEU 59 -1.823 -4.889 -3.750 445 2HD1 LEU 59 2HD1 LEU 59 -1.935 -3.130 -3.708 446 3HD1 LEU 59 3HD1 LEU 59 -3.290 -4.083 -4.306 447 1HD2 LEU 59 1HD2 LEU 59 -4.816 -3.182 -1.411 448 2HD2 LEU 59 2HD2 LEU 59 -5.070 -4.812 -2.032 449 3HD2 LEU 59 3HD2 LEU 59 -4.845 -3.467 -3.151 450 H CYS 60 HN CYS 60 -4.290 -7.326 -0.028 451 HA CYS 60 HA CYS 60 -2.506 -9.215 1.227 452 1HB CYS 60 HB2 CYS 60 -3.865 -8.160 3.080 453 2HB CYS 60 HB1 CYS 60 -5.303 -8.787 2.282 454 HG CYS 60 HG CYS 60 -3.890 -10.232 4.621 455 H HIS 61 HN HIS 61 -2.431 -10.157 -0.687 456 HA HIS 61 HA HIS 61 -4.850 -10.825 -2.061 457 1HB HIS 61 HB2 HIS 61 -3.350 -10.175 -3.555 458 2HB HIS 61 HB1 HIS 61 -1.989 -10.617 -2.570 459 HD1 HIS 61 HD1 HIS 61 -4.604 -12.453 -4.680 460 HD2 HIS 61 HD2 HIS 61 -0.568 -12.607 -3.739 461 HE1 HIS 61 HE1 HIS 61 -3.664 -14.308 -6.082 462 HE2 HIS 61 HE2 HIS 61 -1.198 -14.303 -5.584 463 H LEU 62 HN LEU 62 -4.887 -13.254 -2.983 464 HA LEU 62 HA LEU 62 -4.688 -14.861 -0.548 465 1HB LEU 62 HB2 LEU 62 -6.122 -16.518 -1.672 466 2HB LEU 62 HB1 LEU 62 -6.860 -14.940 -1.533 467 HG LEU 62 HG LEU 62 -7.298 -16.150 -3.684 468 1HD1 LEU 62 1HD1 LEU 62 -5.990 -13.806 -4.736 469 2HD1 LEU 62 2HD1 LEU 62 -6.831 -13.460 -3.221 470 3HD1 LEU 62 3HD1 LEU 62 -7.708 -14.173 -4.572 471 1HD2 LEU 62 1HD2 LEU 62 -5.051 -17.113 -3.972 472 2HD2 LEU 62 2HD2 LEU 62 -4.425 -15.496 -4.292 473 3HD2 LEU 62 3HD2 LEU 62 -5.600 -16.218 -5.388 474 H GLN 63 HN GLN 63 -2.430 -14.303 -1.534 475 HA GLN 63 HA GLN 63 -1.402 -16.892 -1.630 476 1HB GLN 63 HB2 GLN 63 -0.563 -14.996 -3.833 477 2HB GLN 63 HB1 GLN 63 0.148 -16.566 -3.519 478 1HG GLN 63 HG2 GLN 63 -2.703 -16.100 -4.343 479 2HG GLN 63 HG1 GLN 63 -1.400 -16.573 -5.423 480 H LYS 64 HN LYS 64 -0.938 -13.426 -1.704 481 HA LYS 64 HA LYS 64 0.872 -13.668 0.528 482 1HB LYS 64 HB2 LYS 64 2.716 -12.430 -0.522 483 2HB LYS 64 HB1 LYS 64 2.400 -13.935 -1.370 484 1HG LYS 64 HG2 LYS 64 1.230 -12.765 -3.117 485 2HG LYS 64 HG1 LYS 64 1.385 -11.240 -2.245 486 1HD LYS 64 HD2 LYS 64 3.028 -11.412 -4.043 487 2HD LYS 64 HD1 LYS 64 3.812 -11.356 -2.463 488 1HE LYS 64 HE2 LYS 64 4.064 -13.793 -2.510 489 2HE LYS 64 HE1 LYS 64 3.285 -13.842 -4.090 490 1HZ LYS 64 HZ1 LYS 64 5.411 -13.771 -4.789 491 2HZ LYS 64 HZ2 LYS 64 5.985 -13.036 -3.377 492 3HZ LYS 64 HZ3 LYS 64 5.230 -12.102 -4.568 493 H VAL 65 HN VAL 65 1.939 -11.059 0.327 494 HA VAL 65 HA VAL 65 -0.352 -9.257 0.165 495 HB VAL 65 HB VAL 65 -0.176 -8.353 2.253 496 1HG1 VAL 65 1HG1 VAL 65 0.039 -11.147 2.306 497 2HG1 VAL 65 2HG1 VAL 65 -0.653 -10.082 3.523 498 3HG1 VAL 65 3HG1 VAL 65 1.047 -10.536 3.613 499 1HG2 VAL 65 1HG2 VAL 65 2.080 -8.732 3.608 500 2HG2 VAL 65 2HG2 VAL 65 1.863 -7.402 2.472 501 3HG2 VAL 65 3HG2 VAL 65 2.724 -8.856 1.971 502 H LYS 66 HN LYS 66 0.381 -7.046 -0.368 503 HA LYS 66 HA LYS 66 3.233 -6.919 -1.028 504 1HB LYS 66 HB2 LYS 66 2.441 -5.837 -3.272 505 2HB LYS 66 HB1 LYS 66 2.534 -7.584 -3.100 506 1HG LYS 66 HG2 LYS 66 0.157 -7.718 -2.723 507 2HG LYS 66 HG1 LYS 66 0.023 -5.962 -2.759 508 1HD LYS 66 HD2 LYS 66 -0.686 -6.792 -4.884 509 2HD LYS 66 HD1 LYS 66 0.888 -6.028 -5.106 510 1HE LYS 66 HE2 LYS 66 0.524 -8.989 -4.695 511 2HE LYS 66 HE1 LYS 66 0.559 -8.230 -6.285 512 1HZ LYS 66 HZ1 LYS 66 2.724 -8.881 -4.532 513 2HZ LYS 66 HZ2 LYS 66 2.787 -7.270 -5.044 514 3HZ LYS 66 HZ3 LYS 66 2.746 -8.518 -6.184 515 H HIS 67 HN HIS 67 3.736 -4.703 -2.076 516 HA HIS 67 HA HIS 67 2.315 -2.547 -0.677 517 1HB HIS 67 HB2 HIS 67 5.307 -3.013 -0.679 518 2HB HIS 67 HB1 HIS 67 4.506 -1.594 -0.011 519 HD1 HIS 67 HD1 HIS 67 3.380 -1.840 2.273 520 HD2 HIS 67 HD2 HIS 67 4.939 -5.399 0.807 521 HE1 HIS 67 HE1 HIS 67 3.224 -3.479 4.175 522 HE2 HIS 67 HE2 HIS 67 3.991 -5.666 3.194 523 H TYR 68 HN TYR 68 2.170 -0.648 -1.812 524 HA TYR 68 HA TYR 68 3.545 -0.554 -4.418 525 1HB TYR 68 HB2 TYR 68 0.740 0.358 -3.761 526 2HB TYR 68 HB1 TYR 68 1.541 0.606 -5.305 527 HD1 TYR 68 HD1 TYR 68 0.632 -0.704 -6.927 528 HD2 TYR 68 HD2 TYR 68 1.093 -2.378 -3.053 529 HE1 TYR 68 HE1 TYR 68 -0.298 -2.828 -7.745 530 HE2 TYR 68 HE2 TYR 68 0.185 -4.509 -3.865 531 HH TYR 68 HH TYR 68 0.027 -5.455 -6.837 532 H LEU 69 HN LEU 69 5.211 0.801 -3.384 533 HA LEU 69 HA LEU 69 4.284 3.581 -3.147 534 1HB LEU 69 HB2 LEU 69 4.891 3.340 -0.976 535 2HB LEU 69 HB1 LEU 69 6.065 2.105 -1.309 536 HG LEU 69 HG LEU 69 6.769 4.504 -0.437 537 1HD1 LEU 69 1HD1 LEU 69 8.597 3.223 -0.639 538 2HD1 LEU 69 2HD1 LEU 69 8.861 4.180 -2.095 539 3HD1 LEU 69 3HD1 LEU 69 8.119 2.587 -2.210 540 1HD2 LEU 69 1HD2 LEU 69 5.671 5.316 -2.791 541 2HD2 LEU 69 2HD2 LEU 69 7.369 5.156 -3.234 542 3HD2 LEU 69 3HD2 LEU 69 6.905 6.199 -1.900 543 H ILE 70 HN ILE 70 4.979 4.620 -4.832 544 HA ILE 70 HA ILE 70 7.858 4.365 -5.342 545 HB ILE 70 HB ILE 70 5.826 3.896 -7.503 546 1HG1 ILE 70 2HG1 ILE 70 6.596 2.021 -5.990 547 2HG1 ILE 70 1HG1 ILE 70 6.884 1.756 -7.696 548 1HG2 ILE 70 1HG2 ILE 70 8.803 4.199 -7.844 549 2HG2 ILE 70 2HG2 ILE 70 7.633 5.457 -8.243 550 3HG2 ILE 70 3HG2 ILE 70 7.602 3.920 -9.101 551 1HD1 ILE 70 1HD1 ILE 70 8.773 1.014 -6.637 552 2HD1 ILE 70 2HD1 ILE 70 8.833 2.401 -5.548 553 3HD1 ILE 70 3HD1 ILE 70 9.223 2.605 -7.261 554 H LEU 71 HN LEU 71 4.947 6.103 -5.638 555 HA LEU 71 HA LEU 71 6.554 8.536 -5.922 556 1HB LEU 71 HB2 LEU 71 4.099 8.097 -7.580 557 2HB LEU 71 HB1 LEU 71 5.172 9.475 -7.641 558 HG LEU 71 HG LEU 71 6.951 7.639 -8.294 559 1HD1 LEU 71 1HD1 LEU 71 5.405 5.756 -7.947 560 2HD1 LEU 71 2HD1 LEU 71 6.003 5.837 -9.602 561 3HD1 LEU 71 3HD1 LEU 71 4.370 6.388 -9.225 562 1HD2 LEU 71 1HD2 LEU 71 6.069 9.593 -9.638 563 2HD2 LEU 71 2HD2 LEU 71 4.905 8.468 -10.335 564 3HD2 LEU 71 3HD2 LEU 71 6.635 8.202 -10.563 565 HA PRO 72 HA PRO 72 3.689 9.940 -2.833 566 1HB PRO 72 HB2 PRO 72 4.799 12.304 -2.339 567 2HB PRO 72 HB1 PRO 72 5.682 10.815 -1.987 568 1HG PRO 72 HG2 PRO 72 5.968 12.683 -4.302 569 2HG PRO 72 HG1 PRO 72 7.227 11.864 -3.364 570 1HD PRO 72 HD2 PRO 72 6.227 11.003 -5.813 571 2HD PRO 72 HD1 PRO 72 7.103 9.986 -4.656 572 H SER 73 HN SER 73 2.981 12.583 -2.460 573 HA SER 73 HA SER 73 1.011 12.927 -4.517 574 1HB SER 73 HB2 SER 73 0.357 13.326 -2.221 575 2HB SER 73 HB1 SER 73 1.614 14.554 -2.042 576 HG SER 73 HG SER 73 -0.846 14.936 -2.811 577 H GLU 74 HN GLU 74 1.434 13.897 -6.366 578 HA GLU 74 HA GLU 74 3.536 15.946 -6.462 579 1HB GLU 74 HB2 GLU 74 2.244 14.224 -8.554 580 2HB GLU 74 HB1 GLU 74 3.137 15.665 -9.006 581 1HG GLU 74 HG2 GLU 74 4.517 13.683 -9.191 582 2HG GLU 74 HG1 GLU 74 5.140 14.773 -7.955 583 H GLU 75 HN GLU 75 3.051 17.665 -8.278 584 HA GLU 75 HA GLU 75 0.519 18.905 -7.490 585 1HB GLU 75 HB2 GLU 75 2.901 20.074 -8.944 586 2HB GLU 75 HB1 GLU 75 1.477 20.972 -8.439 587 1HG GLU 75 HG2 GLU 75 3.398 19.568 -6.595 588 2HG GLU 75 HG1 GLU 75 3.374 21.298 -6.929 589 H GLU 76 HN GLU 76 1.114 16.750 -9.567 590 HA GLU 76 HA GLU 76 -0.321 18.001 -11.800 591 1HB GLU 76 HB2 GLU 76 1.845 17.149 -12.521 592 2HB GLU 76 HB1 GLU 76 1.510 15.588 -11.791 593 1HG GLU 76 HG2 GLU 76 1.229 15.498 -14.193 594 2HG GLU 76 HG1 GLU 76 -0.309 15.228 -13.375 595 H GLY 77 HN GLY 77 -0.489 15.948 -9.136 596 1HA GLY 77 HA2 GLY 77 -3.181 15.184 -9.734 597 2HA GLY 77 HA1 GLY 77 -2.074 13.819 -9.821 598 H ARG 78 HN ARG 78 -2.302 12.656 -8.026 599 HA ARG 78 HA ARG 78 -1.947 14.006 -5.475 600 1HB ARG 78 HB2 ARG 78 -3.784 12.372 -4.570 601 2HB ARG 78 HB1 ARG 78 -4.227 13.918 -5.273 602 1HG ARG 78 HG2 ARG 78 -4.230 11.334 -6.787 603 2HG ARG 78 HG1 ARG 78 -5.634 11.987 -5.950 604 1HD ARG 78 HD2 ARG 78 -4.209 13.054 -8.364 605 2HD ARG 78 HD1 ARG 78 -5.912 12.667 -8.169 606 HE ARG 78 HE ARG 78 -4.697 15.154 -7.664 607 1HH1 ARG 78 HH11 ARG 78 -7.142 13.021 -6.376 608 2HH1 ARG 78 HH12 ARG 78 -8.021 14.296 -5.603 609 1HH2 ARG 78 HH21 ARG 78 -5.857 16.828 -6.652 610 2HH2 ARG 78 HH22 ARG 78 -7.295 16.455 -5.761 611 H LEU 79 HN LEU 79 -3.033 10.664 -5.424 612 HA LEU 79 HA LEU 79 -0.408 9.916 -4.451 613 1HB LEU 79 HB2 LEU 79 -2.891 8.260 -4.926 614 2HB LEU 79 HB1 LEU 79 -1.412 7.643 -4.217 615 HG LEU 79 HG LEU 79 -1.678 9.287 -2.360 616 1HD1 LEU 79 1HD1 LEU 79 -4.172 9.913 -3.888 617 2HD1 LEU 79 2HD1 LEU 79 -2.987 11.011 -3.181 618 3HD1 LEU 79 3HD1 LEU 79 -4.106 10.132 -2.140 619 1HD2 LEU 79 1HD2 LEU 79 -4.062 8.054 -1.744 620 2HD2 LEU 79 2HD2 LEU 79 -2.449 7.404 -1.450 621 3HD2 LEU 79 3HD2 LEU 79 -3.326 6.956 -2.912 622 H TYR 80 HN TYR 80 1.234 9.121 -5.680 623 HA TYR 80 HA TYR 80 0.493 8.453 -8.425 624 1HB TYR 80 HB2 TYR 80 2.957 9.653 -7.260 625 2HB TYR 80 HB1 TYR 80 3.036 8.817 -8.808 626 HD1 TYR 80 HD1 TYR 80 0.392 11.025 -7.380 627 HD2 TYR 80 HD2 TYR 80 3.289 10.437 -10.433 628 HE1 TYR 80 HE1 TYR 80 -0.422 13.037 -8.533 629 HE2 TYR 80 HE2 TYR 80 2.484 12.448 -11.594 630 HH TYR 80 HH TYR 80 0.017 13.725 -11.554 631 H PHE 81 HN PHE 81 -0.058 6.297 -8.109 632 HA PHE 81 HA PHE 81 2.199 4.596 -8.347 633 1HB PHE 81 HB2 PHE 81 1.269 2.915 -6.666 634 2HB PHE 81 HB1 PHE 81 2.081 4.332 -6.009 635 HD1 PHE 81 HD1 PHE 81 -1.401 3.895 -7.292 636 HD2 PHE 81 HD2 PHE 81 1.115 4.764 -3.971 637 HE1 PHE 81 HE1 PHE 81 -3.382 4.402 -5.929 638 HE2 PHE 81 HE2 PHE 81 -0.865 5.272 -2.601 639 HZ PHE 81 HZ PHE 81 -3.117 5.090 -3.580 640 H SER 82 HN SER 82 1.513 2.256 -8.609 641 HA SER 82 HA SER 82 -0.998 1.997 -10.050 642 1HB SER 82 HB2 SER 82 0.098 1.161 -12.043 643 2HB SER 82 HB1 SER 82 0.659 2.795 -11.696 644 HG SER 82 HG SER 82 2.593 2.044 -11.158 645 H MET 83 HN MET 83 1.138 -0.322 -11.040 646 HA MET 83 HA MET 83 0.966 -2.075 -8.784 647 1HB MET 83 HB2 MET 83 -0.198 -3.871 -10.075 648 2HB MET 83 HB1 MET 83 -1.220 -2.491 -9.709 649 1HG MET 83 HG2 MET 83 -0.902 -1.647 -11.971 650 2HG MET 83 HG1 MET 83 0.134 -3.021 -12.341 651 1HE MET 83 HE1 MET 83 -1.372 -3.585 -14.478 652 2HE MET 83 HE2 MET 83 -2.380 -2.188 -14.097 653 3HE MET 83 HE3 MET 83 -3.125 -3.757 -14.403 654 H ASP 84 HN ASP 84 1.589 -4.460 -10.100 655 HA ASP 84 HA ASP 84 4.323 -4.119 -10.607 656 1HB ASP 84 HB2 ASP 84 2.514 -6.395 -11.450 657 2HB ASP 84 HB1 ASP 84 4.274 -6.442 -11.460 658 H ASP 85 HN ASP 85 1.507 -4.085 -12.699 659 HA ASP 85 HA ASP 85 3.228 -3.097 -14.861 660 1HB ASP 85 HB2 ASP 85 2.058 -4.496 -16.519 661 2HB ASP 85 HB1 ASP 85 2.926 -5.464 -15.332 662 H GLY 86 HN GLY 86 1.751 -1.328 -13.391 663 1HA GLY 86 HA2 GLY 86 -0.316 -0.574 -15.345 664 2HA GLY 86 HA1 GLY 86 -0.734 -0.618 -13.640 665 H GLN 87 HN GLN 87 -1.164 1.699 -14.835 666 HA GLN 87 HA GLN 87 0.871 3.438 -13.666 667 1HB GLN 87 HB2 GLN 87 0.725 4.961 -15.644 668 2HB GLN 87 HB1 GLN 87 1.505 3.423 -15.982 669 1HG GLN 87 HG2 GLN 87 -0.573 2.595 -16.978 670 2HG GLN 87 HG1 GLN 87 -1.338 4.150 -16.659 671 H THR 88 HN THR 88 -0.898 3.513 -12.019 672 HA THR 88 HA THR 88 -3.084 5.248 -12.896 673 HB THR 88 HB THR 88 -4.358 4.373 -10.954 674 HG1 THR 88 HG1 THR 88 -2.944 3.579 -9.552 675 1HG2 THR 88 1HG2 THR 88 -3.643 2.885 -13.316 676 2HG2 THR 88 2HG2 THR 88 -5.201 3.034 -12.502 677 3HG2 THR 88 3HG2 THR 88 -4.038 1.818 -11.969 678 H ARG 89 HN ARG 89 -0.332 5.871 -11.686 679 HA ARG 89 HA ARG 89 -0.325 6.943 -9.248 680 1HB ARG 89 HB2 ARG 89 1.121 8.803 -10.215 681 2HB ARG 89 HB1 ARG 89 1.634 7.150 -10.494 682 1HG ARG 89 HG2 ARG 89 1.949 8.368 -12.507 683 2HG ARG 89 HG1 ARG 89 0.584 7.280 -12.750 684 1HD ARG 89 HD2 ARG 89 -0.973 9.094 -12.448 685 2HD ARG 89 HD1 ARG 89 0.335 10.202 -12.027 686 HE ARG 89 HE ARG 89 0.840 9.137 -14.570 687 1HH1 ARG 89 HH11 ARG 89 -1.427 11.267 -12.986 688 2HH1 ARG 89 HH12 ARG 89 -1.751 12.190 -14.414 689 1HH2 ARG 89 HH21 ARG 89 0.415 10.350 -16.451 690 2HH2 ARG 89 HH22 ARG 89 -0.706 11.669 -16.381 691 H PHE 90 HN PHE 90 -2.761 7.390 -9.080 692 HA PHE 90 HA PHE 90 -3.091 10.285 -9.169 693 1HB PHE 90 HB2 PHE 90 -5.438 10.041 -10.019 694 2HB PHE 90 HB1 PHE 90 -4.196 9.640 -11.193 695 HD1 PHE 90 HD1 PHE 90 -6.197 7.876 -8.570 696 HD2 PHE 90 HD2 PHE 90 -4.600 7.831 -12.511 697 HE1 PHE 90 HE1 PHE 90 -7.270 5.703 -8.972 698 HE2 PHE 90 HE2 PHE 90 -5.674 5.657 -12.923 699 HZ PHE 90 HZ PHE 90 -7.012 4.590 -11.154 700 H THR 91 HN THR 91 -5.845 10.216 -8.298 701 HA THR 91 HA THR 91 -5.556 10.157 -5.551 702 HB THR 91 HB THR 91 -8.107 9.649 -7.073 703 HG1 THR 91 HG1 THR 91 -8.217 11.744 -7.477 704 1HG2 THR 91 1HG2 THR 91 -8.702 9.434 -4.852 705 2HG2 THR 91 2HG2 THR 91 -9.015 11.137 -5.188 706 3HG2 THR 91 3HG2 THR 91 -7.553 10.663 -4.324 707 H ASP 92 HN ASP 92 -6.919 8.755 -4.039 708 HA ASP 92 HA ASP 92 -7.106 5.972 -4.873 709 1HB ASP 92 HB2 ASP 92 -4.807 6.198 -4.028 710 2HB ASP 92 HB1 ASP 92 -5.427 6.845 -2.512 711 H LEU 93 HN LEU 93 -7.116 7.817 -1.821 712 HA LEU 93 HA LEU 93 -8.939 6.475 -0.366 713 1HB LEU 93 HB2 LEU 93 -7.779 8.466 0.428 714 2HB LEU 93 HB1 LEU 93 -8.765 9.475 -0.614 715 HG LEU 93 HG LEU 93 -10.766 8.859 0.670 716 1HD1 LEU 93 1HD1 LEU 93 -8.829 7.048 2.003 717 2HD1 LEU 93 2HD1 LEU 93 -10.526 6.793 1.596 718 3HD1 LEU 93 3HD1 LEU 93 -10.091 7.780 2.992 719 1HD2 LEU 93 1HD2 LEU 93 -8.701 9.750 2.648 720 2HD2 LEU 93 2HD2 LEU 93 -10.367 10.294 2.451 721 3HD2 LEU 93 3HD2 LEU 93 -9.140 10.770 1.278 722 H LEU 94 HN LEU 94 -10.018 9.333 -2.213 723 HA LEU 94 HA LEU 94 -12.712 9.017 -2.014 724 1HB LEU 94 HB2 LEU 94 -11.520 10.901 -3.124 725 2HB LEU 94 HB1 LEU 94 -11.275 9.878 -4.524 726 HG LEU 94 HG LEU 94 -13.138 11.488 -4.794 727 1HD1 LEU 94 1HD1 LEU 94 -13.003 9.045 -5.766 728 2HD1 LEU 94 2HD1 LEU 94 -14.430 10.052 -6.008 729 3HD1 LEU 94 3HD1 LEU 94 -14.429 8.811 -4.754 730 1HD2 LEU 94 1HD2 LEU 94 -14.894 11.645 -3.390 731 2HD2 LEU 94 2HD2 LEU 94 -13.756 10.962 -2.229 732 3HD2 LEU 94 3HD2 LEU 94 -14.916 9.915 -3.048 733 H GLN 95 HN GLN 95 -10.667 7.551 -4.544 734 HA GLN 95 HA GLN 95 -12.705 6.204 -5.881 735 1HB GLN 95 HB2 GLN 95 -9.787 5.468 -5.608 736 2HB GLN 95 HB1 GLN 95 -10.878 4.950 -6.864 737 1HG GLN 95 HG2 GLN 95 -10.043 7.786 -6.382 738 2HG GLN 95 HG1 GLN 95 -9.359 6.720 -7.602 739 H LEU 96 HN LEU 96 -10.416 5.125 -3.397 740 HA LEU 96 HA LEU 96 -11.081 2.490 -3.123 741 1HB LEU 96 HB2 LEU 96 -9.299 3.736 -1.894 742 2HB LEU 96 HB1 LEU 96 -10.535 4.399 -0.848 743 HG LEU 96 HG LEU 96 -9.925 1.452 -1.091 744 1HD1 LEU 96 1HD1 LEU 96 -8.171 1.792 0.220 745 2HD1 LEU 96 2HD1 LEU 96 -9.244 2.454 1.453 746 3HD1 LEU 96 3HD1 LEU 96 -8.499 3.524 0.265 747 1HD2 LEU 96 1HD2 LEU 96 -11.120 1.806 1.307 748 2HD2 LEU 96 2HD2 LEU 96 -11.978 1.352 -0.165 749 3HD2 LEU 96 3HD2 LEU 96 -11.944 3.038 0.351 750 H VAL 97 HN VAL 97 -12.832 5.291 -1.921 751 HA VAL 97 HA VAL 97 -14.648 3.949 -0.249 752 HB VAL 97 HB VAL 97 -15.114 6.507 -1.787 753 1HG1 VAL 97 1HG1 VAL 97 -17.193 6.145 -0.972 754 2HG1 VAL 97 2HG1 VAL 97 -16.482 6.814 0.497 755 3HG1 VAL 97 3HG1 VAL 97 -16.624 5.067 0.303 756 1HG2 VAL 97 1HG2 VAL 97 -14.522 7.313 0.707 757 2HG2 VAL 97 2HG2 VAL 97 -13.323 7.170 -0.579 758 3HG2 VAL 97 3HG2 VAL 97 -13.506 5.874 0.605 759 H GLU 98 HN GLU 98 -15.445 5.403 -3.410 760 HA GLU 98 HA GLU 98 -17.809 3.846 -3.710 761 1HB GLU 98 HB2 GLU 98 -17.567 6.035 -4.760 762 2HB GLU 98 HB1 GLU 98 -16.242 5.435 -5.748 763 1HG GLU 98 HG2 GLU 98 -17.768 3.884 -6.855 764 2HG GLU 98 HG1 GLU 98 -19.096 4.483 -5.864 765 H PHE 99 HN PHE 99 -14.634 3.655 -5.317 766 HA PHE 99 HA PHE 99 -15.308 1.420 -6.890 767 1HB PHE 99 HB2 PHE 99 -12.653 2.564 -6.051 768 2HB PHE 99 HB1 PHE 99 -12.782 1.144 -7.077 769 HD1 PHE 99 HD1 PHE 99 -11.962 1.849 -9.114 770 HD2 PHE 99 HD2 PHE 99 -14.881 4.222 -7.123 771 HE1 PHE 99 HE1 PHE 99 -12.163 3.274 -11.109 772 HE2 PHE 99 HE2 PHE 99 -15.086 5.648 -9.111 773 HZ PHE 99 HZ PHE 99 -13.728 5.176 -11.110 774 H HIS 100 HN HIS 100 -14.892 1.567 -3.548 775 HA HIS 100 HA HIS 100 -13.467 -0.613 -2.759 776 1HB HIS 100 HB2 HIS 100 -14.842 -0.761 -0.821 777 2HB HIS 100 HB1 HIS 100 -14.853 0.934 -1.287 778 HD1 HIS 100 HD1 HIS 100 -17.064 1.295 -3.145 779 HD2 HIS 100 HD2 HIS 100 -17.320 -1.467 -0.055 780 HE1 HIS 100 HE1 HIS 100 -19.522 0.912 -2.791 781 HE2 HIS 100 HE2 HIS 100 -19.654 -0.700 -0.859 782 H GLN 101 HN GLN 101 -16.598 -0.549 -4.283 783 HA GLN 101 HA GLN 101 -17.220 -3.299 -4.033 784 1HB GLN 101 HB2 GLN 101 -18.862 -2.779 -5.883 785 2HB GLN 101 HB1 GLN 101 -19.004 -1.783 -4.443 786 1HG GLN 101 HG2 GLN 101 -17.503 -0.121 -5.723 787 2HG GLN 101 HG1 GLN 101 -17.956 -1.049 -7.145 788 H LEU 102 HN LEU 102 -15.959 -1.403 -6.778 789 HA LEU 102 HA LEU 102 -14.588 -3.810 -7.727 790 1HB LEU 102 HB2 LEU 102 -16.397 -2.062 -9.394 791 2HB LEU 102 HB1 LEU 102 -15.211 -3.148 -10.092 792 HG LEU 102 HG LEU 102 -17.338 -4.224 -10.183 793 1HD1 LEU 102 1HD1 LEU 102 -16.683 -6.249 -9.429 794 2HD1 LEU 102 2HD1 LEU 102 -16.265 -5.642 -7.826 795 3HD1 LEU 102 3HD1 LEU 102 -15.160 -5.396 -9.179 796 1HD2 LEU 102 1HD2 LEU 102 -17.854 -4.460 -7.329 797 2HD2 LEU 102 2HD2 LEU 102 -18.947 -4.049 -8.651 798 3HD2 LEU 102 3HD2 LEU 102 -17.946 -2.800 -7.914 799 H ASN 103 HN ASN 103 -12.868 -2.546 -6.652 800 HA ASN 103 HA ASN 103 -11.916 -0.236 -8.184 801 1HB ASN 103 HB2 ASN 103 -10.387 0.117 -6.285 802 2HB ASN 103 HB1 ASN 103 -12.061 0.026 -5.750 803 1HD2 ASN 103 1HD2 ASN 103 -12.621 -1.452 -4.287 804 2HD2 ASN 103 2HD2 ASN 103 -11.578 -2.683 -3.673 805 H ARG 104 HN ARG 104 -9.330 -0.185 -8.021 806 HA ARG 104 HA ARG 104 -8.448 -2.606 -9.422 807 1HB ARG 104 HB2 ARG 104 -7.315 0.195 -9.340 808 2HB ARG 104 HB1 ARG 104 -6.508 -1.155 -10.124 809 1HG ARG 104 HG2 ARG 104 -7.682 0.179 -11.755 810 2HG ARG 104 HG1 ARG 104 -8.423 -1.415 -11.631 811 1HD ARG 104 HD2 ARG 104 -10.217 -0.531 -10.289 812 2HD ARG 104 HD1 ARG 104 -9.442 1.052 -10.226 813 HE ARG 104 HE ARG 104 -11.128 0.078 -12.273 814 1HH1 ARG 104 HH11 ARG 104 -8.259 2.007 -11.779 815 2HH1 ARG 104 HH12 ARG 104 -8.455 2.897 -13.250 816 1HH2 ARG 104 HH21 ARG 104 -11.387 1.254 -14.205 817 2HH2 ARG 104 HH22 ARG 104 -10.231 2.472 -14.626 818 H GLY 105 HN GLY 105 -8.635 -3.173 -6.872 819 1HA GLY 105 HA2 GLY 105 -6.838 -2.552 -4.961 820 2HA GLY 105 HA1 GLY 105 -7.370 -4.200 -5.233 821 H ILE 106 HN ILE 106 -5.976 -5.674 -6.142 822 HA ILE 106 HA ILE 106 -3.199 -4.740 -6.434 823 HB ILE 106 HB ILE 106 -2.449 -6.883 -5.805 824 1HG1 ILE 106 2HG1 ILE 106 -4.510 -8.600 -5.351 825 2HG1 ILE 106 1HG1 ILE 106 -5.090 -7.757 -6.779 826 1HG2 ILE 106 1HG2 ILE 106 -4.488 -7.294 -3.902 827 2HG2 ILE 106 2HG2 ILE 106 -4.381 -5.558 -4.174 828 3HG2 ILE 106 3HG2 ILE 106 -2.949 -6.465 -3.692 829 1HD1 ILE 106 1HD1 ILE 106 -3.780 -8.988 -8.062 830 2HD1 ILE 106 2HD1 ILE 106 -3.268 -9.888 -6.637 831 3HD1 ILE 106 3HD1 ILE 106 -2.357 -8.473 -7.160 832 H LEU 107 HN LEU 107 -2.013 -6.689 -7.783 833 HA LEU 107 HA LEU 107 -2.279 -6.200 -10.454 834 1HB LEU 107 HB2 LEU 107 -1.296 -8.521 -8.869 835 2HB LEU 107 HB1 LEU 107 -1.447 -8.732 -10.598 836 HG LEU 107 HG LEU 107 0.215 -6.627 -9.213 837 1HD1 LEU 107 1HD1 LEU 107 1.597 -8.382 -8.978 838 2HD1 LEU 107 2HD1 LEU 107 1.922 -8.113 -10.690 839 3HD1 LEU 107 3HD1 LEU 107 0.758 -9.343 -10.196 840 1HD2 LEU 107 1HD2 LEU 107 -0.912 -6.523 -11.749 841 2HD2 LEU 107 2HD2 LEU 107 0.737 -7.078 -12.026 842 3HD2 LEU 107 3HD2 LEU 107 0.448 -5.571 -11.161 843 HA PRO 108 HA PRO 108 -5.484 -8.190 -12.824 844 1HB PRO 108 HB2 PRO 108 -3.820 -10.689 -12.794 845 2HB PRO 108 HB1 PRO 108 -4.806 -10.021 -14.102 846 1HG PRO 108 HG2 PRO 108 -2.153 -9.603 -13.982 847 2HG PRO 108 HG1 PRO 108 -3.270 -8.377 -14.606 848 1HD PRO 108 HD2 PRO 108 -1.687 -8.351 -12.156 849 2HD PRO 108 HD1 PRO 108 -2.552 -7.019 -12.937 850 H CYS 109 HN CYS 109 -4.214 -10.229 -10.158 851 HA CYS 109 HA CYS 109 -6.407 -11.954 -9.947 852 1HB CYS 109 HB2 CYS 109 -4.824 -10.933 -7.576 853 2HB CYS 109 HB1 CYS 109 -5.698 -12.449 -7.705 854 HG CYS 109 HG CYS 109 -2.695 -12.436 -7.871 855 H LEU 110 HN LEU 110 -7.465 -11.697 -7.388 856 HA LEU 110 HA LEU 110 -9.699 -10.156 -7.737 857 1HB LEU 110 HB2 LEU 110 -8.287 -10.950 -5.200 858 2HB LEU 110 HB1 LEU 110 -9.805 -10.074 -5.178 859 HG LEU 110 HG LEU 110 -10.212 -12.434 -4.851 860 1HD1 LEU 110 1HD1 LEU 110 -11.090 -11.995 -7.664 861 2HD1 LEU 110 2HD1 LEU 110 -11.662 -10.909 -6.398 862 3HD1 LEU 110 3HD1 LEU 110 -11.987 -12.640 -6.289 863 1HD2 LEU 110 1HD2 LEU 110 -9.512 -14.136 -6.275 864 2HD2 LEU 110 2HD2 LEU 110 -8.101 -13.086 -6.160 865 3HD2 LEU 110 3HD2 LEU 110 -9.137 -13.017 -7.586 866 H LEU 111 HN LEU 111 -10.358 -8.071 -7.160 867 HA LEU 111 HA LEU 111 -8.180 -6.238 -6.438 868 1HB LEU 111 HB2 LEU 111 -9.207 -4.550 -7.956 869 2HB LEU 111 HB1 LEU 111 -8.470 -5.916 -8.756 870 HG LEU 111 HG LEU 111 -10.557 -5.214 -9.835 871 1HD1 LEU 111 1HD1 LEU 111 -11.011 -7.309 -10.435 872 2HD1 LEU 111 2HD1 LEU 111 -11.445 -7.786 -8.795 873 3HD1 LEU 111 3HD1 LEU 111 -9.753 -7.768 -9.289 874 1HD2 LEU 111 1HD2 LEU 111 -12.213 -6.280 -7.628 875 2HD2 LEU 111 2HD2 LEU 111 -12.569 -5.026 -8.814 876 3HD2 LEU 111 3HD2 LEU 111 -11.544 -4.662 -7.428 877 H ARG 112 HN ARG 112 -11.488 -7.141 -5.989 878 HA ARG 112 HA ARG 112 -12.455 -4.770 -4.816 879 1HB ARG 112 HB2 ARG 112 -13.277 -7.604 -4.151 880 2HB ARG 112 HB1 ARG 112 -14.218 -6.146 -3.871 881 1HG ARG 112 HG2 ARG 112 -14.335 -5.782 -6.302 882 2HG ARG 112 HG1 ARG 112 -13.457 -7.292 -6.547 883 1HD ARG 112 HD2 ARG 112 -15.857 -7.621 -6.821 884 2HD ARG 112 HD1 ARG 112 -15.245 -8.523 -5.435 885 HE ARG 112 HE ARG 112 -16.158 -6.036 -4.536 886 1HH1 ARG 112 HH11 ARG 112 -17.426 -8.991 -5.895 887 2HH1 ARG 112 HH12 ARG 112 -18.964 -8.836 -5.116 888 1HH2 ARG 112 HH21 ARG 112 -18.181 -5.832 -3.509 889 2HH2 ARG 112 HH22 ARG 112 -19.393 -7.043 -3.761 890 H HIS 113 HN HIS 113 -12.646 -4.148 -2.619 891 HA HIS 113 HA HIS 113 -11.216 -5.713 -0.629 892 1HB HIS 113 HB2 HIS 113 -9.848 -3.741 0.076 893 2HB HIS 113 HB1 HIS 113 -9.392 -4.422 -1.484 894 HD1 HIS 113 HD1 HIS 113 -12.002 -1.785 -0.579 895 HD2 HIS 113 HD2 HIS 113 -8.668 -2.317 -3.002 896 HE1 HIS 113 HE1 HIS 113 -11.765 0.354 -1.877 897 HE2 HIS 113 HE2 HIS 113 -9.791 -0.022 -3.395 898 H CYS 114 HN CYS 114 -11.348 -4.721 1.563 899 HA CYS 114 HA CYS 114 -13.638 -2.938 1.920 900 1HB CYS 114 HB2 CYS 114 -14.561 -5.195 2.083 901 2HB CYS 114 HB1 CYS 114 -13.347 -5.622 3.288 902 HG CYS 114 HG CYS 114 -15.957 -5.232 4.415 903 H CYS 115 HN CYS 115 -11.763 -4.946 4.182 904 HA CYS 115 HA CYS 115 -10.485 -2.538 5.257 905 1HB CYS 115 HB2 CYS 115 -11.976 -4.554 6.955 906 2HB CYS 115 HB1 CYS 115 -11.051 -3.184 7.560 907 HG CYS 115 HG CYS 115 -12.751 -1.272 6.373 908 H THR 116 HN THR 116 -9.259 -3.733 7.468 909 HA THR 116 HA THR 116 -7.451 -5.644 6.143 910 HB THR 116 HB THR 116 -6.913 -3.847 8.518 911 HG1 THR 116 HG1 THR 116 -6.070 -3.618 5.822 912 1HG2 THR 116 1HG2 THR 116 -4.874 -5.279 6.854 913 2HG2 THR 116 2HG2 THR 116 -5.536 -5.961 8.339 914 3HG2 THR 116 3HG2 THR 116 -4.651 -4.437 8.387 915 H ARG 117 HN ARG 117 -6.656 -7.470 7.358 916 HA ARG 117 HA ARG 117 -8.443 -8.201 9.587 917 1HB ARG 117 HB2 ARG 117 -8.723 -9.619 7.606 918 2HB ARG 117 HB1 ARG 117 -7.010 -10.010 7.636 919 1HG ARG 117 HG2 ARG 117 -8.338 -11.817 8.563 920 2HG ARG 117 HG1 ARG 117 -7.290 -11.111 9.794 921 1HD ARG 117 HD2 ARG 117 -9.174 -9.800 10.642 922 2HD ARG 117 HD1 ARG 117 -10.219 -10.505 9.410 923 HE ARG 117 HE ARG 117 -9.061 -12.585 10.876 924 1HH1 ARG 117 HH11 ARG 117 -11.331 -9.974 11.335 925 2HH1 ARG 117 HH12 ARG 117 -12.226 -10.803 12.563 926 1HH2 ARG 117 HH21 ARG 117 -10.238 -13.676 12.491 927 2HH2 ARG 117 HH22 ARG 117 -11.607 -12.904 13.220 928 H VAL 118 HN VAL 118 -6.796 -6.897 10.824 929 HA VAL 118 HA VAL 118 -4.875 -8.740 11.974 930 HB VAL 118 HB VAL 118 -3.095 -6.892 11.953 931 1HG1 VAL 118 1HG1 VAL 118 -3.349 -7.814 9.178 932 2HG1 VAL 118 2HG1 VAL 118 -3.505 -9.081 10.394 933 3HG1 VAL 118 3HG1 VAL 118 -2.056 -8.076 10.349 934 1HG2 VAL 118 1HG2 VAL 118 -3.733 -4.961 11.026 935 2HG2 VAL 118 2HG2 VAL 118 -5.138 -5.698 10.258 936 3HG2 VAL 118 3HG2 VAL 118 -3.562 -5.778 9.473 937 H ALA 119 HN ALA 119 -5.376 -5.204 12.147 938 HA ALA 119 HA ALA 119 -5.307 -5.293 15.020 939 1HB ALA 119 HB1 ALA 119 -6.147 -2.841 13.565 940 2HB ALA 119 HB2 ALA 119 -4.498 -3.423 13.339 941 3HB ALA 119 HB3 ALA 119 -5.076 -3.022 14.956 942 H LEU 120 HN LEU 120 -7.155 -3.327 15.704 943 HA LEU 120 HA LEU 120 -9.462 -4.805 16.184 944 1HB LEU 120 HB2 LEU 120 -9.165 -1.802 16.111 945 2HB LEU 120 HB1 LEU 120 -10.486 -2.674 16.863 946 HG LEU 120 HG LEU 120 -7.593 -2.766 17.722 947 1HD1 LEU 120 1HD1 LEU 120 -9.010 -0.672 18.167 948 2HD1 LEU 120 2HD1 LEU 120 -8.175 -1.419 19.530 949 3HD1 LEU 120 3HD1 LEU 120 -9.901 -1.690 19.298 950 1HD2 LEU 120 1HD2 LEU 120 -8.760 -3.909 19.747 951 2HD2 LEU 120 2HD2 LEU 120 -8.373 -4.857 18.310 952 3HD2 LEU 120 3HD2 LEU 120 -10.021 -4.285 18.573 953 HA PRO1135 HA PRO1135 14.130 -7.067 -9.717 954 1HB PRO1135 HB2 PRO1135 13.407 -9.496 -8.148 955 2HB PRO1135 HB1 PRO1135 14.631 -9.292 -9.405 956 1HG PRO1135 HG2 PRO1135 15.332 -9.439 -6.841 957 2HG PRO1135 HG1 PRO1135 16.157 -8.327 -7.948 958 1HD PRO1135 HD2 PRO1135 14.127 -7.746 -5.842 959 2HD PRO1135 HD1 PRO1135 15.518 -6.777 -6.368 960 H GLN1136 HN GLN1136 11.646 -7.421 -7.269 961 HA GLN1136 HA GLN1136 9.525 -6.789 -8.936 962 1HB GLN1136 HB2 GLN1136 9.937 -8.905 -10.071 963 2HB GLN1136 HB1 GLN1136 9.826 -9.773 -8.550 964 1HG GLN1136 HG2 GLN1136 7.792 -10.016 -9.837 965 2HG GLN1136 HG1 GLN1136 7.485 -9.133 -8.342 966 HA PRO1137 HA PRO1137 7.903 -8.821 -4.739 967 1HB PRO1137 HB2 PRO1137 10.511 -8.780 -3.305 968 2HB PRO1137 HB1 PRO1137 9.187 -9.947 -3.203 969 1HG PRO1137 HG2 PRO1137 11.422 -10.555 -4.507 970 2HG PRO1137 HG1 PRO1137 9.840 -11.058 -5.133 971 1HD PRO1137 HD2 PRO1137 11.615 -8.824 -6.026 972 2HD PRO1137 HD1 PRO1137 10.621 -9.929 -6.994 973 H GLU1138 HN GLU1138 10.836 -6.836 -4.270 974 HA GLU1138 HA GLU1138 9.771 -5.146 -2.323 975 1HB GLU1138 HB2 GLU1138 11.598 -3.567 -3.007 976 2HB GLU1138 HB1 GLU1138 12.134 -5.201 -2.645 977 1HG GLU1138 HG2 GLU1138 12.290 -5.710 -5.000 978 2HG GLU1138 HG1 GLU1138 11.653 -4.120 -5.410 979 2HN PTR1139 HN PTR1139 8.467 -3.442 -2.353 980 2HN PTR1139 HN PTR1139 8.467 -3.442 -2.353 981 HA PTR1139 HA PTR1139 6.832 -2.073 -3.129 982 HA PTR1139 HA PTR1139 6.832 -2.073 -3.129 983 1HB PTR1139 HB1 PTR1139 7.755 -0.381 -4.793 984 1HB PTR1139 HB1 PTR1139 7.755 -0.381 -4.793 985 2HB PTR1139 HB2 PTR1139 9.262 -1.310 -4.688 986 2HB PTR1139 HB2 PTR1139 9.262 -1.310 -4.688 987 HD1 PTR1139 HD1 PTR1139 6.597 -0.007 -2.458 988 HD1 PTR1139 HD1 PTR1139 6.597 -0.007 -2.458 989 HD2 PTR1139 HD2 PTR1139 10.758 -0.605 -2.977 990 HD2 PTR1139 HD2 PTR1139 10.758 -0.605 -2.977 991 HE1 PTR1139 HE1 PTR1139 7.012 1.068 -0.298 992 HE1 PTR1139 HE1 PTR1139 7.012 1.068 -0.298 993 HE2 PTR1139 HE2 PTR1139 11.194 0.501 -0.781 994 HE2 PTR1139 HE2 PTR1139 11.194 0.501 -0.781 995 H VAL1140 HN VAL1140 7.203 -1.369 -6.305 996 HA VAL1140 HA VAL1140 6.495 -3.559 -7.758 997 HB VAL1140 HB VAL1140 4.248 -2.789 -5.988 998 1HG1 VAL1140 1HG1 VAL1140 3.833 -3.314 -8.921 999 2HG1 VAL1140 2HG1 VAL1140 3.234 -1.957 -7.969 1000 3HG1 VAL1140 3HG1 VAL1140 2.572 -3.574 -7.717 1001 1HG2 VAL1140 1HG2 VAL1140 4.282 -4.982 -5.613 1002 2HG2 VAL1140 2HG2 VAL1140 5.630 -5.124 -6.740 1003 3HG2 VAL1140 3HG2 VAL1140 3.976 -5.317 -7.317 1004 H ASN1141 HN ASN1141 5.159 -0.201 -7.294 1005 HA ASN1141 HA ASN1141 4.429 0.073 -10.005 1006 1HB ASN1141 HB2 ASN1141 5.992 2.293 -8.687 1007 2HB ASN1141 HB1 ASN1141 4.689 2.411 -9.838 1008 1HD2 ASN1141 1HD2 ASN1141 5.312 1.398 -6.488 1009 2HD2 ASN1141 2HD2 ASN1141 3.846 2.034 -5.860 1010 H GLN1142 HN GLN1142 7.303 -0.144 -8.146 1011 HA GLN1142 HA GLN1142 8.871 -1.065 -10.339 1012 1HB GLN1142 HB2 GLN1142 9.621 1.332 -8.662 1013 2HB GLN1142 HB1 GLN1142 10.752 0.475 -9.695 1014 1HG GLN1142 HG2 GLN1142 9.611 1.186 -11.671 1015 2HG GLN1142 HG1 GLN1142 8.283 1.853 -10.719 1016 HA PRO1143 HA PRO1143 10.561 -3.483 -7.036 1017 1HB PRO1143 HB2 PRO1143 13.290 -2.364 -7.461 1018 2HB PRO1143 HB1 PRO1143 12.767 -4.051 -7.460 1019 1HG PRO1143 HG2 PRO1143 13.402 -2.784 -9.739 1020 2HG PRO1143 HG1 PRO1143 12.103 -3.989 -9.673 1021 1HD PRO1143 HD2 PRO1143 11.926 -1.014 -9.799 1022 2HD PRO1143 HD1 PRO1143 10.861 -2.239 -10.517 1023 H ASP1144 HN ASP1144 11.199 -0.143 -7.469 1024 HA ASP1144 HA ASP1144 10.251 0.784 -5.157 1025 1HB ASP1144 HB2 ASP1144 12.198 1.298 -3.728 1026 2HB ASP1144 HB1 ASP1144 12.068 -0.438 -3.964 Start of MODEL 9 1 1H GLY 1 HT1 GLY 1 22.384 7.619 -2.577 2 2H GLY 1 HT2 GLY 1 22.358 5.946 -2.818 3 3H GLY 1 HT3 GLY 1 23.832 6.774 -2.801 4 1HA GLY 1 HA1 GLY 1 22.952 5.455 -0.706 5 2HA GLY 1 HA2 GLY 1 23.931 6.908 -0.564 6 H SER 2 HN SER 2 20.641 7.018 -1.715 7 HA SER 2 HA SER 2 19.886 8.940 0.210 8 1HB SER 2 HB2 SER 2 18.820 8.869 -1.977 9 2HB SER 2 HB1 SER 2 18.169 7.267 -1.638 10 HG SER 2 HG SER 2 16.635 8.931 -1.269 11 HA PRO 3 HA PRO 3 17.267 5.364 2.231 12 1HB PRO 3 HB2 PRO 3 18.205 2.834 1.734 13 2HB PRO 3 HB1 PRO 3 16.874 3.587 0.851 14 1HG PRO 3 HG2 PRO 3 19.756 3.342 0.089 15 2HG PRO 3 HG1 PRO 3 18.310 3.129 -0.916 16 1HD PRO 3 HD2 PRO 3 19.765 5.379 -1.005 17 2HD PRO 3 HD1 PRO 3 17.999 5.408 -1.173 18 H ALA 4 HN ALA 4 17.706 4.470 4.252 19 HA ALA 4 HA ALA 4 20.499 3.982 4.967 20 1HB ALA 4 HB1 ALA 4 19.476 6.434 5.446 21 2HB ALA 4 HB2 ALA 4 20.720 5.675 6.438 22 3HB ALA 4 HB3 ALA 4 19.031 5.605 6.937 23 H SER 5 HN SER 5 20.185 3.739 7.700 24 HA SER 5 HA SER 5 18.074 1.720 8.024 25 1HB SER 5 HB2 SER 5 20.966 1.397 8.865 26 2HB SER 5 HB1 SER 5 19.665 0.266 9.235 27 HG SER 5 HG SER 5 21.150 0.086 7.201 28 H GLY 6 HN GLY 6 20.488 3.745 9.666 29 1HA GLY 6 HA2 GLY 6 19.073 3.544 12.188 30 2HA GLY 6 HA1 GLY 6 20.537 4.466 11.881 31 H THR 7 HN THR 7 17.073 4.456 11.058 32 HA THR 7 HA THR 7 16.921 7.275 11.746 33 HB THR 7 HB THR 7 16.167 6.265 8.995 34 HG1 THR 7 HG1 THR 7 18.356 6.637 9.109 35 1HG2 THR 7 1HG2 THR 7 14.621 7.999 9.821 36 2HG2 THR 7 2HG2 THR 7 15.580 8.520 8.436 37 3HG2 THR 7 3HG2 THR 7 16.000 9.072 10.058 38 H SER 8 HN SER 8 15.683 6.185 13.451 39 HA SER 8 HA SER 8 12.969 5.457 12.563 40 1HB SER 8 HB2 SER 8 14.118 3.597 13.662 41 2HB SER 8 HB1 SER 8 14.432 4.607 15.072 42 HG SER 8 HG SER 8 12.234 3.187 14.466 43 H LEU 9 HN LEU 9 11.217 6.411 13.501 44 HA LEU 9 HA LEU 9 11.705 8.423 15.585 45 1HB LEU 9 HB2 LEU 9 10.036 8.836 13.103 46 2HB LEU 9 HB1 LEU 9 10.168 9.968 14.435 47 HG LEU 9 HG LEU 9 12.409 9.143 12.587 48 1HD1 LEU 9 1HD1 LEU 9 11.151 10.589 11.316 49 2HD1 LEU 9 2HD1 LEU 9 12.238 11.707 12.140 50 3HD1 LEU 9 3HD1 LEU 9 10.585 11.499 12.716 51 1HD2 LEU 9 1HD2 LEU 9 13.297 11.334 13.889 52 2HD2 LEU 9 2HD2 LEU 9 13.663 9.680 14.380 53 3HD2 LEU 9 3HD2 LEU 9 12.353 10.563 15.164 54 H SER 10 HN SER 10 9.287 9.358 16.106 55 HA SER 10 HA SER 10 7.813 6.971 16.950 56 1HB SER 10 HB2 SER 10 8.467 8.524 18.728 57 2HB SER 10 HB1 SER 10 7.619 9.836 17.910 58 HG SER 10 HG SER 10 6.319 7.455 18.711 59 H ALA 11 HN ALA 11 5.467 6.984 16.871 60 HA ALA 11 HA ALA 11 4.326 8.748 14.821 61 1HB ALA 11 HB1 ALA 11 4.575 6.962 13.434 62 2HB ALA 11 HB2 ALA 11 3.028 6.528 14.162 63 3HB ALA 11 HB3 ALA 11 4.518 5.790 14.749 64 H ALA 12 HN ALA 12 2.681 9.784 15.720 65 HA ALA 12 HA ALA 12 0.720 8.285 17.277 66 1HB ALA 12 HB1 ALA 12 2.395 9.268 18.866 67 2HB ALA 12 HB2 ALA 12 0.727 9.771 19.134 68 3HB ALA 12 HB3 ALA 12 1.859 10.863 18.337 69 H ILE 13 HN ILE 13 0.760 9.486 14.624 70 HA ILE 13 HA ILE 13 -0.785 11.904 14.724 71 HB ILE 13 HB ILE 13 0.699 11.456 12.833 72 1HG1 ILE 13 2HG1 ILE 13 -2.219 11.508 12.026 73 2HG1 ILE 13 1HG1 ILE 13 -1.261 12.909 12.495 74 1HG2 ILE 13 1HG2 ILE 13 -1.132 9.116 12.360 75 2HG2 ILE 13 2HG2 ILE 13 0.610 9.098 12.632 76 3HG2 ILE 13 3HG2 ILE 13 -0.041 9.754 11.130 77 1HD1 ILE 13 1HD1 ILE 13 -1.021 13.130 10.276 78 2HD1 ILE 13 2HD1 ILE 13 -1.335 11.424 9.962 79 3HD1 ILE 13 3HD1 ILE 13 0.262 11.942 10.504 80 H HIS 14 HN HIS 14 -1.510 8.583 15.000 81 HA HIS 14 HA HIS 14 -4.144 8.646 13.891 82 1HB HIS 14 HB2 HIS 14 -2.890 6.686 15.826 83 2HB HIS 14 HB1 HIS 14 -4.415 6.448 14.980 84 HD1 HIS 14 HD1 HIS 14 -0.802 7.175 13.983 85 HD2 HIS 14 HD2 HIS 14 -4.095 4.952 12.769 86 HE1 HIS 14 HE1 HIS 14 -0.033 5.881 11.971 87 HE2 HIS 14 HE2 HIS 14 -2.013 4.472 11.311 88 H ARG 15 HN ARG 15 -5.904 9.523 14.779 89 HA ARG 15 HA ARG 15 -6.040 9.682 17.700 90 1HB ARG 15 HB2 ARG 15 -7.177 11.880 17.489 91 2HB ARG 15 HB1 ARG 15 -5.502 11.899 16.945 92 1HG ARG 15 HG2 ARG 15 -6.195 11.828 14.636 93 2HG ARG 15 HG1 ARG 15 -7.880 11.620 15.108 94 1HD ARG 15 HD2 ARG 15 -6.157 14.077 15.488 95 2HD ARG 15 HD1 ARG 15 -7.564 13.896 14.447 96 HE ARG 15 HE ARG 15 -8.390 13.346 17.042 97 1HH1 ARG 15 HH11 ARG 15 -7.143 16.047 15.220 98 2HH1 ARG 15 HH12 ARG 15 -7.969 17.233 16.173 99 1HH2 ARG 15 HH21 ARG 15 -9.479 14.905 18.298 100 2HH2 ARG 15 HH22 ARG 15 -9.294 16.586 17.921 101 H THR 16 HN THR 16 -7.290 8.238 15.226 102 HA THR 16 HA THR 16 -9.905 7.971 16.484 103 HB THR 16 HB THR 16 -11.056 8.047 14.295 104 HG1 THR 16 HG1 THR 16 -8.601 9.034 13.287 105 1HG2 THR 16 1HG2 THR 16 -9.532 10.484 15.137 106 2HG2 THR 16 2HG2 THR 16 -11.229 10.088 15.410 107 3HG2 THR 16 3HG2 THR 16 -10.671 10.509 13.790 108 H GLN 17 HN GLN 17 -9.197 6.723 13.309 109 HA GLN 17 HA GLN 17 -8.323 4.150 14.309 110 1HB GLN 17 HB2 GLN 17 -10.159 3.006 12.949 111 2HB GLN 17 HB1 GLN 17 -10.631 3.722 14.484 112 1HG GLN 17 HG2 GLN 17 -12.265 4.160 12.728 113 2HG GLN 17 HG1 GLN 17 -11.546 5.648 13.340 114 H LEU 18 HN LEU 18 -7.222 6.268 12.672 115 HA LEU 18 HA LEU 18 -7.299 5.850 9.941 116 1HB LEU 18 HB2 LEU 18 -4.809 6.565 11.480 117 2HB LEU 18 HB1 LEU 18 -5.196 6.989 9.824 118 HG LEU 18 HG LEU 18 -6.513 8.063 12.317 119 1HD1 LEU 18 1HD1 LEU 18 -5.132 9.688 10.232 120 2HD1 LEU 18 2HD1 LEU 18 -4.185 8.857 11.466 121 3HD1 LEU 18 3HD1 LEU 18 -5.404 10.041 11.938 122 1HD2 LEU 18 1HD2 LEU 18 -7.980 9.307 10.976 123 2HD2 LEU 18 2HD2 LEU 18 -8.044 7.670 10.325 124 3HD2 LEU 18 3HD2 LEU 18 -7.104 8.912 9.498 125 H TRP 19 HN TRP 19 -5.945 4.718 8.480 126 HA TRP 19 HA TRP 19 -4.630 2.349 9.647 127 1HB TRP 19 HB2 TRP 19 -5.908 2.518 6.912 128 2HB TRP 19 HB1 TRP 19 -5.239 1.084 7.678 129 HD1 TRP 19 HD1 TRP 19 -6.699 -0.038 9.658 130 HE1 TRP 19 HE1 TRP 19 -9.225 0.055 10.145 131 HE3 TRP 19 HE3 TRP 19 -7.930 4.011 6.790 132 HZ2 TRP 19 HZ2 TRP 19 -11.448 1.630 9.401 133 HZ3 TRP 19 HZ3 TRP 19 -10.278 4.742 6.726 134 HH2 TRP 19 HH2 TRP 19 -11.999 3.576 8.005 135 H PHE 20 HN PHE 20 -3.462 4.985 9.039 136 HA PHE 20 HA PHE 20 -1.626 4.230 6.867 137 1HB PHE 20 HB2 PHE 20 -2.305 6.970 7.958 138 2HB PHE 20 HB1 PHE 20 -1.086 6.660 6.727 139 HD1 PHE 20 HD1 PHE 20 -1.756 7.302 4.646 140 HD2 PHE 20 HD2 PHE 20 -4.630 5.582 7.271 141 HE1 PHE 20 HE1 PHE 20 -3.470 7.499 2.893 142 HE2 PHE 20 HE2 PHE 20 -6.347 5.771 5.521 143 HZ PHE 20 HZ PHE 20 -5.768 6.732 3.328 144 H HIS 21 HN HIS 21 0.486 3.994 7.247 145 HA HIS 21 HA HIS 21 1.627 4.977 9.762 146 1HB HIS 21 HB2 HIS 21 0.838 2.592 10.028 147 2HB HIS 21 HB1 HIS 21 2.009 2.131 8.800 148 HD1 HIS 21 HD1 HIS 21 4.607 2.746 9.509 149 HD2 HIS 21 HD2 HIS 21 1.787 2.547 12.553 150 HE1 HIS 21 HE1 HIS 21 5.928 2.488 11.632 151 HE2 HIS 21 HE2 HIS 21 4.198 2.293 13.452 152 H GLY 22 HN GLY 22 4.129 4.690 9.701 153 1HA GLY 22 HA2 GLY 22 4.993 5.457 7.017 154 2HA GLY 22 HA1 GLY 22 5.849 5.791 8.513 155 H ARG 23 HN ARG 23 7.761 4.813 8.391 156 HA ARG 23 HA ARG 23 8.475 2.715 6.788 157 1HB ARG 23 HB2 ARG 23 10.385 2.337 8.355 158 2HB ARG 23 HB1 ARG 23 10.188 3.985 7.792 159 1HG ARG 23 HG2 ARG 23 9.271 4.668 9.888 160 2HG ARG 23 HG1 ARG 23 9.195 2.997 10.453 161 1HD ARG 23 HD2 ARG 23 11.716 4.508 9.772 162 2HD ARG 23 HD1 ARG 23 11.113 4.201 11.401 163 HE ARG 23 HE ARG 23 11.329 1.741 10.140 164 1HH1 ARG 23 HH11 ARG 23 13.467 4.330 11.082 165 2HH1 ARG 23 HH12 ARG 23 14.818 3.284 11.357 166 1HH2 ARG 23 HH21 ARG 23 13.103 0.362 10.496 167 2HH2 ARG 23 HH22 ARG 23 14.613 1.030 11.021 168 H ILE 24 HN ILE 24 7.276 0.957 6.665 169 HA ILE 24 HA ILE 24 7.190 -0.780 9.036 170 HB ILE 24 HB ILE 24 5.057 -0.384 6.941 171 1HG1 ILE 24 2HG1 ILE 24 5.057 -0.281 9.957 172 2HG1 ILE 24 1HG1 ILE 24 4.934 1.088 8.859 173 1HG2 ILE 24 1HG2 ILE 24 5.281 -2.653 8.913 174 2HG2 ILE 24 2HG2 ILE 24 5.367 -2.777 7.156 175 3HG2 ILE 24 3HG2 ILE 24 3.860 -2.290 7.933 176 1HD1 ILE 24 1HD1 ILE 24 2.908 -1.124 8.939 177 2HD1 ILE 24 2HD1 ILE 24 2.768 0.453 8.164 178 3HD1 ILE 24 3HD1 ILE 24 2.789 0.334 9.923 179 H SER 25 HN SER 25 8.819 -2.121 8.643 180 HA SER 25 HA SER 25 10.166 -2.813 6.467 181 1HB SER 25 HB2 SER 25 9.263 -4.791 8.568 182 2HB SER 25 HB1 SER 25 10.614 -5.031 7.459 183 HG SER 25 HG SER 25 11.803 -3.756 8.642 184 H ARG 26 HN ARG 26 9.029 -2.828 4.542 185 HA ARG 26 HA ARG 26 6.733 -4.210 3.899 186 1HB ARG 26 HB2 ARG 26 7.789 -4.305 1.531 187 2HB ARG 26 HB1 ARG 26 7.486 -2.724 2.248 188 1HG ARG 26 HG2 ARG 26 9.590 -2.219 1.910 189 2HG ARG 26 HG1 ARG 26 10.062 -3.467 3.049 190 1HD ARG 26 HD2 ARG 26 10.566 -4.966 1.371 191 2HD ARG 26 HD1 ARG 26 9.486 -4.185 0.211 192 HE ARG 26 HE ARG 26 11.303 -2.999 -0.470 193 1HH1 ARG 26 HH11 ARG 26 11.812 -3.854 2.876 194 2HH1 ARG 26 HH12 ARG 26 13.152 -2.779 3.083 195 1HH2 ARG 26 HH21 ARG 26 13.050 -1.539 -0.174 196 2HH2 ARG 26 HH22 ARG 26 13.855 -1.476 1.358 197 H GLU 27 HN GLU 27 10.083 -5.391 3.767 198 HA GLU 27 HA GLU 27 9.526 -7.934 2.724 199 1HB GLU 27 HB2 GLU 27 11.753 -7.116 4.600 200 2HB GLU 27 HB1 GLU 27 11.710 -8.596 3.652 201 1HG GLU 27 HG2 GLU 27 11.709 -7.255 1.594 202 2HG GLU 27 HG1 GLU 27 11.810 -5.792 2.570 203 H GLU 28 HN GLU 28 9.810 -6.843 6.096 204 HA GLU 28 HA GLU 28 9.107 -9.438 7.129 205 1HB GLU 28 HB2 GLU 28 9.365 -6.775 8.533 206 2HB GLU 28 HB1 GLU 28 9.178 -8.331 9.330 207 1HG GLU 28 HG2 GLU 28 11.493 -7.499 7.595 208 2HG GLU 28 HG1 GLU 28 11.491 -7.591 9.356 209 H SER 29 HN SER 29 7.387 -6.677 6.064 210 HA SER 29 HA SER 29 5.104 -6.878 7.723 211 1HB SER 29 HB2 SER 29 5.621 -4.852 6.427 212 2HB SER 29 HB1 SER 29 5.341 -5.737 4.928 213 HG SER 29 HG SER 29 3.567 -4.461 6.381 214 H GLN 30 HN GLN 30 5.800 -8.104 4.461 215 HA GLN 30 HA GLN 30 3.355 -9.283 3.935 216 1HB GLN 30 HB2 GLN 30 4.659 -10.851 2.454 217 2HB GLN 30 HB1 GLN 30 4.938 -9.139 2.176 218 1HG GLN 30 HG2 GLN 30 7.013 -9.280 3.452 219 2HG GLN 30 HG1 GLN 30 6.734 -10.999 3.713 220 H ARG 31 HN ARG 31 5.828 -10.268 6.137 221 HA ARG 31 HA ARG 31 5.001 -12.995 6.377 222 1HB ARG 31 HB2 ARG 31 7.270 -12.291 6.980 223 2HB ARG 31 HB1 ARG 31 6.624 -11.263 8.252 224 1HG ARG 31 HG2 ARG 31 5.771 -13.228 9.418 225 2HG ARG 31 HG1 ARG 31 6.405 -14.264 8.138 226 1HD ARG 31 HD2 ARG 31 8.036 -12.462 9.927 227 2HD ARG 31 HD1 ARG 31 7.896 -14.212 10.081 228 HE ARG 31 HE ARG 31 9.629 -12.807 8.346 229 1HH1 ARG 31 HH11 ARG 31 7.639 -15.672 8.502 230 2HH1 ARG 31 HH12 ARG 31 8.551 -16.521 7.300 231 1HH2 ARG 31 HH21 ARG 31 10.832 -13.926 6.771 232 2HH2 ARG 31 HH22 ARG 31 10.364 -15.532 6.320 233 H LEU 32 HN LEU 32 4.485 -10.052 8.305 234 HA LEU 32 HA LEU 32 2.824 -11.283 10.248 235 1HB LEU 32 HB2 LEU 32 2.991 -8.387 9.415 236 2HB LEU 32 HB1 LEU 32 2.289 -8.991 10.906 237 HG LEU 32 HG LEU 32 5.146 -9.614 10.301 238 1HD1 LEU 32 1HD1 LEU 32 5.734 -7.506 11.529 239 2HD1 LEU 32 2HD1 LEU 32 4.071 -6.979 11.268 240 3HD1 LEU 32 3HD1 LEU 32 5.125 -7.289 9.888 241 1HD2 LEU 32 1HD2 LEU 32 3.449 -9.266 12.754 242 2HD2 LEU 32 2HD2 LEU 32 5.210 -9.294 12.829 243 3HD2 LEU 32 3HD2 LEU 32 4.333 -10.696 12.218 244 H ILE 33 HN ILE 33 2.034 -9.106 7.532 245 HA ILE 33 HA ILE 33 -0.785 -9.560 7.797 246 HB ILE 33 HB ILE 33 0.798 -8.229 5.590 247 1HG1 ILE 33 2HG1 ILE 33 -0.180 -6.149 6.572 248 2HG1 ILE 33 1HG1 ILE 33 -0.836 -7.121 7.884 249 1HG2 ILE 33 1HG2 ILE 33 -1.580 -7.218 5.162 250 2HG2 ILE 33 2HG2 ILE 33 -2.124 -8.718 5.913 251 3HG2 ILE 33 3HG2 ILE 33 -1.126 -8.771 4.460 252 1HD1 ILE 33 1HD1 ILE 33 2.095 -7.109 7.289 253 2HD1 ILE 33 2HD1 ILE 33 1.263 -7.532 8.786 254 3HD1 ILE 33 3HD1 ILE 33 1.349 -5.847 8.270 255 H GLY 34 HN GLY 34 1.593 -11.564 6.697 256 1HA GLY 34 HA2 GLY 34 0.004 -12.635 4.485 257 2HA GLY 34 HA1 GLY 34 1.651 -13.103 4.895 258 H GLN 35 HN GLN 35 -0.513 -12.785 7.485 259 HA GLN 35 HA GLN 35 -0.654 -15.688 7.789 260 1HB GLN 35 HB2 GLN 35 -1.210 -15.283 10.099 261 2HB GLN 35 HB1 GLN 35 0.191 -14.297 9.705 262 1HG GLN 35 HG2 GLN 35 -1.312 -12.357 9.411 263 2HG GLN 35 HG1 GLN 35 -2.661 -13.367 9.926 264 H GLN 36 HN GLN 36 -2.402 -12.946 6.765 265 HA GLN 36 HA GLN 36 -5.010 -13.978 7.419 266 1HB GLN 36 HB2 GLN 36 -4.014 -11.575 5.938 267 2HB GLN 36 HB1 GLN 36 -5.692 -12.068 5.766 268 1HG GLN 36 HG2 GLN 36 -6.111 -10.866 7.575 269 2HG GLN 36 HG1 GLN 36 -5.273 -12.115 8.492 270 H GLY 37 HN GLY 37 -6.156 -15.375 6.238 271 1HA GLY 37 HA2 GLY 37 -5.124 -16.090 3.582 272 2HA GLY 37 HA1 GLY 37 -6.178 -17.087 4.579 273 H LEU 38 HN LEU 38 -6.860 -13.707 4.166 274 HA LEU 38 HA LEU 38 -9.398 -14.344 2.966 275 1HB LEU 38 HB2 LEU 38 -8.122 -11.707 3.682 276 2HB LEU 38 HB1 LEU 38 -9.740 -11.870 3.027 277 HG LEU 38 HG LEU 38 -9.825 -11.561 5.434 278 1HD1 LEU 38 1HD1 LEU 38 -11.484 -13.019 4.289 279 2HD1 LEU 38 2HD1 LEU 38 -11.252 -13.394 5.997 280 3HD1 LEU 38 3HD1 LEU 38 -10.513 -14.414 4.762 281 1HD2 LEU 38 1HD2 LEU 38 -8.752 -12.916 6.992 282 2HD2 LEU 38 2HD2 LEU 38 -7.530 -12.685 5.744 283 3HD2 LEU 38 3HD2 LEU 38 -8.442 -14.191 5.815 284 H VAL 39 HN VAL 39 -10.042 -12.543 1.194 285 HA VAL 39 HA VAL 39 -8.497 -13.248 -1.117 286 HB VAL 39 HB VAL 39 -10.211 -12.031 -2.388 287 1HG1 VAL 39 1HG1 VAL 39 -12.076 -13.493 -1.880 288 2HG1 VAL 39 2HG1 VAL 39 -11.397 -13.847 -0.291 289 3HG1 VAL 39 3HG1 VAL 39 -10.560 -14.386 -1.746 290 1HG2 VAL 39 1HG2 VAL 39 -10.764 -10.936 0.262 291 2HG2 VAL 39 2HG2 VAL 39 -12.213 -11.479 -0.587 292 3HG2 VAL 39 3HG2 VAL 39 -11.147 -10.289 -1.335 293 H ASP 40 HN ASP 40 -8.305 -11.434 -2.840 294 HA ASP 40 HA ASP 40 -6.265 -9.680 -1.962 295 1HB ASP 40 HB2 ASP 40 -7.906 -9.436 -4.490 296 2HB ASP 40 HB1 ASP 40 -6.292 -8.797 -4.201 297 H GLY 41 HN GLY 41 -8.132 -9.177 -0.213 298 1HA GLY 41 HA2 GLY 41 -9.063 -6.473 -1.010 299 2HA GLY 41 HA1 GLY 41 -10.179 -7.583 -0.222 300 H LEU 42 HN LEU 42 -7.331 -8.267 1.173 301 HA LEU 42 HA LEU 42 -7.910 -6.419 3.357 302 1HB LEU 42 HB2 LEU 42 -6.334 -8.991 3.258 303 2HB LEU 42 HB1 LEU 42 -6.380 -7.950 4.665 304 HG LEU 42 HG LEU 42 -7.914 -9.914 4.786 305 1HD1 LEU 42 1HD1 LEU 42 -9.586 -7.440 4.744 306 2HD1 LEU 42 2HD1 LEU 42 -8.258 -7.592 5.894 307 3HD1 LEU 42 3HD1 LEU 42 -9.574 -8.767 5.905 308 1HD2 LEU 42 1HD2 LEU 42 -9.508 -8.469 2.680 309 2HD2 LEU 42 2HD2 LEU 42 -9.896 -10.002 3.457 310 3HD2 LEU 42 3HD2 LEU 42 -8.514 -9.893 2.366 311 H PHE 43 HN PHE 43 -6.984 -4.591 2.762 312 HA PHE 43 HA PHE 43 -4.086 -4.686 2.275 313 1HB PHE 43 HB2 PHE 43 -4.305 -2.763 0.797 314 2HB PHE 43 HB1 PHE 43 -5.293 -4.105 0.239 315 HD1 PHE 43 HD1 PHE 43 -6.053 -1.955 -1.111 316 HD2 PHE 43 HD2 PHE 43 -6.986 -2.706 2.972 317 HE1 PHE 43 HE1 PHE 43 -7.984 -0.443 -1.271 318 HE2 PHE 43 HE2 PHE 43 -8.910 -1.196 2.818 319 HZ PHE 43 HZ PHE 43 -9.413 -0.060 0.694 320 H LEU 44 HN LEU 44 -2.950 -2.588 2.682 321 HA LEU 44 HA LEU 44 -4.128 -0.974 4.819 322 1HB LEU 44 HB2 LEU 44 -2.815 -2.748 5.929 323 2HB LEU 44 HB1 LEU 44 -1.401 -2.266 5.012 324 HG LEU 44 HG LEU 44 -1.419 -0.065 6.140 325 1HD1 LEU 44 1HD1 LEU 44 -2.904 0.400 7.953 326 2HD1 LEU 44 2HD1 LEU 44 -3.629 -1.203 7.842 327 3HD1 LEU 44 3HD1 LEU 44 -3.877 -0.033 6.548 328 1HD2 LEU 44 1HD2 LEU 44 -1.560 -2.038 8.361 329 2HD2 LEU 44 2HD2 LEU 44 -0.337 -0.820 8.002 330 3HD2 LEU 44 3HD2 LEU 44 -0.390 -2.316 7.071 331 H VAL 45 HN VAL 45 -3.085 1.107 5.065 332 HA VAL 45 HA VAL 45 -1.622 1.869 2.628 333 HB VAL 45 HB VAL 45 -3.278 3.617 4.452 334 1HG1 VAL 45 1HG1 VAL 45 -1.703 5.085 3.602 335 2HG1 VAL 45 2HG1 VAL 45 -2.985 5.187 2.396 336 3HG1 VAL 45 3HG1 VAL 45 -1.553 4.207 2.080 337 1HG2 VAL 45 1HG2 VAL 45 -3.789 2.409 1.744 338 2HG2 VAL 45 2HG2 VAL 45 -4.705 3.784 2.365 339 3HG2 VAL 45 3HG2 VAL 45 -4.748 2.240 3.215 340 H ARG 46 HN ARG 46 0.270 0.938 3.897 341 HA ARG 46 HA ARG 46 1.352 2.822 5.872 342 1HB ARG 46 HB2 ARG 46 2.978 1.057 6.289 343 2HB ARG 46 HB1 ARG 46 1.348 0.383 6.348 344 1HG ARG 46 HG2 ARG 46 1.565 -0.458 4.102 345 2HG ARG 46 HG1 ARG 46 3.148 0.299 3.940 346 1HD ARG 46 HD2 ARG 46 3.362 -1.202 6.226 347 2HD ARG 46 HD1 ARG 46 2.383 -2.192 5.145 348 HE ARG 46 HE ARG 46 4.311 -2.642 4.040 349 1HH1 ARG 46 HH11 ARG 46 4.601 0.593 5.321 350 2HH1 ARG 46 HH12 ARG 46 6.189 0.832 4.678 351 1HH2 ARG 46 HH21 ARG 46 6.386 -2.325 3.211 352 2HH2 ARG 46 HH22 ARG 46 7.206 -0.835 3.489 353 H GLU 47 HN GLU 47 3.710 3.369 5.615 354 HA GLU 47 HA GLU 47 4.592 3.204 2.854 355 1HB GLU 47 HB2 GLU 47 4.960 5.555 2.621 356 2HB GLU 47 HB1 GLU 47 3.295 5.319 3.105 357 1HG GLU 47 HG2 GLU 47 4.015 5.802 5.455 358 2HG GLU 47 HG1 GLU 47 5.584 6.271 4.800 359 H SER 48 HN SER 48 6.685 5.162 3.242 360 HA SER 48 HA SER 48 8.324 3.848 5.279 361 1HB SER 48 HB2 SER 48 10.276 3.967 3.723 362 2HB SER 48 HB1 SER 48 9.029 2.854 3.182 363 HG SER 48 HG SER 48 9.628 4.065 1.443 364 H GLN 49 HN GLN 49 9.749 5.189 6.337 365 HA GLN 49 HA GLN 49 9.288 8.036 5.846 366 1HB GLN 49 HB2 GLN 49 10.012 8.410 8.120 367 2HB GLN 49 HB1 GLN 49 8.817 7.115 8.119 368 1HG GLN 49 HG2 GLN 49 10.486 6.439 9.612 369 2HG GLN 49 HG1 GLN 49 10.763 5.508 8.147 370 H ARG 50 HN ARG 50 11.122 6.088 4.427 371 HA ARG 50 HA ARG 50 13.587 7.667 4.660 372 1HB ARG 50 HB2 ARG 50 13.913 5.354 5.454 373 2HB ARG 50 HB1 ARG 50 13.339 4.747 3.908 374 1HG ARG 50 HG2 ARG 50 15.681 4.602 3.832 375 2HG ARG 50 HG1 ARG 50 15.256 6.002 2.846 376 1HD ARG 50 HD2 ARG 50 16.154 6.124 5.724 377 2HD ARG 50 HD1 ARG 50 17.202 6.393 4.333 378 HE ARG 50 HE ARG 50 15.442 8.269 5.514 379 1HH1 ARG 50 HH11 ARG 50 16.695 7.249 2.419 380 2HH1 ARG 50 HH12 ARG 50 16.442 8.788 1.671 381 1HH2 ARG 50 HH21 ARG 50 15.113 10.295 4.529 382 2HH2 ARG 50 HH22 ARG 50 15.547 10.517 2.867 383 H ASN 51 HN ASN 51 11.355 5.939 2.486 384 HA ASN 51 HA ASN 51 12.776 6.874 0.152 385 1HB ASN 51 HB2 ASN 51 10.051 5.585 0.322 386 2HB ASN 51 HB1 ASN 51 11.045 5.760 -1.121 387 1HD2 ASN 51 1HD2 ASN 51 13.255 5.184 1.183 388 2HD2 ASN 51 2HD2 ASN 51 13.314 3.465 1.129 389 HA PRO 52 HA PRO 52 10.897 11.002 0.330 390 1HB PRO 52 HB2 PRO 52 11.713 10.819 -2.544 391 2HB PRO 52 HB1 PRO 52 11.952 12.139 -1.393 392 1HG PRO 52 HG2 PRO 52 13.966 10.519 -2.043 393 2HG PRO 52 HG1 PRO 52 13.768 11.110 -0.383 394 1HD PRO 52 HD2 PRO 52 13.235 8.409 -1.509 395 2HD PRO 52 HD1 PRO 52 13.754 8.873 0.123 396 H GLN 53 HN GLN 53 10.422 8.523 -2.065 397 HA GLN 53 HA GLN 53 7.655 9.408 -2.631 398 1HB GLN 53 HB2 GLN 53 9.374 7.428 -4.148 399 2HB GLN 53 HB1 GLN 53 7.837 8.109 -4.659 400 1HG GLN 53 HG2 GLN 53 8.858 10.317 -4.820 401 2HG GLN 53 HG1 GLN 53 10.397 9.643 -4.294 402 H GLY 54 HN GLY 54 7.956 8.332 -0.185 403 1HA GLY 54 HA2 GLY 54 7.384 5.473 -0.463 404 2HA GLY 54 HA1 GLY 54 7.950 6.260 0.995 405 H PHE 55 HN PHE 55 5.237 5.583 -1.027 406 HA PHE 55 HA PHE 55 3.405 5.934 1.234 407 1HB PHE 55 HB2 PHE 55 2.828 6.966 -1.569 408 2HB PHE 55 HB1 PHE 55 1.700 6.969 -0.218 409 HD1 PHE 55 HD1 PHE 55 5.150 8.177 -0.992 410 HD2 PHE 55 HD2 PHE 55 1.411 8.950 0.886 411 HE1 PHE 55 HE1 PHE 55 5.947 10.409 -0.332 412 HE2 PHE 55 HE2 PHE 55 2.200 11.184 1.547 413 HZ PHE 55 HZ PHE 55 4.472 11.916 0.937 414 H VAL 56 HN VAL 56 3.152 3.733 1.487 415 HA VAL 56 HA VAL 56 2.565 2.200 -0.928 416 HB VAL 56 HB VAL 56 3.989 0.660 -0.226 417 1HG1 VAL 56 1HG1 VAL 56 5.479 1.015 1.405 418 2HG1 VAL 56 2HG1 VAL 56 4.248 1.351 2.619 419 3HG1 VAL 56 3HG1 VAL 56 4.725 2.604 1.469 420 1HG2 VAL 56 1HG2 VAL 56 3.418 -0.820 1.640 421 2HG2 VAL 56 2HG2 VAL 56 2.035 -0.505 0.593 422 3HG2 VAL 56 3HG2 VAL 56 2.175 0.318 2.149 423 H LEU 57 HN LEU 57 1.108 0.707 -1.117 424 HA LEU 57 HA LEU 57 -1.092 0.634 0.814 425 1HB LEU 57 HB2 LEU 57 -1.534 1.747 -1.514 426 2HB LEU 57 HB1 LEU 57 -1.432 0.110 -2.135 427 HG LEU 57 HG LEU 57 -3.463 1.241 -0.229 428 1HD1 LEU 57 1HD1 LEU 57 -3.946 -0.306 -2.747 429 2HD1 LEU 57 2HD1 LEU 57 -3.654 1.433 -2.773 430 3HD1 LEU 57 3HD1 LEU 57 -5.033 0.782 -1.886 431 1HD2 LEU 57 1HD2 LEU 57 -2.711 -0.940 0.613 432 2HD2 LEU 57 2HD2 LEU 57 -3.074 -1.656 -0.960 433 3HD2 LEU 57 3HD2 LEU 57 -4.374 -0.985 0.023 434 H SER 58 HN SER 58 -1.026 -1.351 1.730 435 HA SER 58 HA SER 58 0.448 -3.443 0.331 436 1HB SER 58 HB2 SER 58 -0.571 -3.514 3.172 437 2HB SER 58 HB1 SER 58 0.719 -4.485 2.459 438 HG SER 58 HG SER 58 0.822 -1.661 2.655 439 H LEU 59 HN LEU 59 -0.453 -5.182 -0.494 440 HA LEU 59 HA LEU 59 -3.343 -5.513 -0.203 441 1HB LEU 59 HB2 LEU 59 -1.332 -6.414 -2.241 442 2HB LEU 59 HB1 LEU 59 -2.935 -7.121 -2.175 443 HG LEU 59 HG LEU 59 -2.520 -5.215 -3.844 444 1HD1 LEU 59 1HD1 LEU 59 -4.793 -5.650 -2.024 445 2HD1 LEU 59 2HD1 LEU 59 -4.722 -5.665 -3.787 446 3HD1 LEU 59 3HD1 LEU 59 -4.802 -4.130 -2.920 447 1HD2 LEU 59 1HD2 LEU 59 -2.845 -3.574 -1.334 448 2HD2 LEU 59 2HD2 LEU 59 -2.751 -2.964 -2.987 449 3HD2 LEU 59 3HD2 LEU 59 -1.347 -3.739 -2.251 450 H CYS 60 HN CYS 60 -4.199 -7.717 -0.131 451 HA CYS 60 HA CYS 60 -2.466 -9.726 1.027 452 1HB CYS 60 HB2 CYS 60 -3.546 -8.479 2.943 453 2HB CYS 60 HB1 CYS 60 -5.103 -8.964 2.288 454 HG CYS 60 HG CYS 60 -3.972 -11.784 2.439 455 H HIS 61 HN HIS 61 -2.674 -10.574 -0.953 456 HA HIS 61 HA HIS 61 -5.290 -11.254 -1.924 457 1HB HIS 61 HB2 HIS 61 -4.084 -10.499 -3.658 458 2HB HIS 61 HB1 HIS 61 -2.559 -10.981 -2.972 459 HD1 HIS 61 HD1 HIS 61 -5.544 -12.954 -4.343 460 HD2 HIS 61 HD2 HIS 61 -1.426 -12.694 -4.723 461 HE1 HIS 61 HE1 HIS 61 -4.926 -14.680 -6.051 462 HE2 HIS 61 HE2 HIS 61 -2.442 -14.419 -6.356 463 H LEU 62 HN LEU 62 -5.465 -13.633 -2.810 464 HA LEU 62 HA LEU 62 -4.637 -15.284 -0.546 465 1HB LEU 62 HB2 LEU 62 -6.271 -16.955 -1.344 466 2HB LEU 62 HB1 LEU 62 -6.981 -15.406 -0.957 467 HG LEU 62 HG LEU 62 -7.945 -16.515 -2.966 468 1HD1 LEU 62 1HD1 LEU 62 -7.306 -13.829 -2.599 469 2HD1 LEU 62 2HD1 LEU 62 -8.537 -14.505 -3.663 470 3HD1 LEU 62 3HD1 LEU 62 -6.920 -14.177 -4.286 471 1HD2 LEU 62 1HD2 LEU 62 -5.319 -15.869 -4.279 472 2HD2 LEU 62 2HD2 LEU 62 -6.733 -16.606 -5.027 473 3HD2 LEU 62 3HD2 LEU 62 -5.827 -17.487 -3.799 474 H GLN 63 HN GLN 63 -2.714 -14.604 -2.087 475 HA GLN 63 HA GLN 63 -1.656 -17.151 -2.500 476 1HB GLN 63 HB2 GLN 63 -1.493 -15.217 -4.813 477 2HB GLN 63 HB1 GLN 63 -0.677 -16.763 -4.723 478 1HG GLN 63 HG2 GLN 63 -3.659 -16.392 -4.747 479 2HG GLN 63 HG1 GLN 63 -2.678 -16.799 -6.149 480 H LYS 64 HN LYS 64 -1.356 -13.669 -2.466 481 HA LYS 64 HA LYS 64 1.103 -13.965 -0.978 482 1HB LYS 64 HB2 LYS 64 2.286 -12.290 -2.498 483 2HB LYS 64 HB1 LYS 64 2.125 -13.940 -3.088 484 1HG LYS 64 HG2 LYS 64 0.380 -13.340 -4.563 485 2HG LYS 64 HG1 LYS 64 0.204 -11.752 -3.819 486 1HD LYS 64 HD2 LYS 64 2.404 -11.113 -4.629 487 2HD LYS 64 HD1 LYS 64 2.630 -12.716 -5.326 488 1HE LYS 64 HE2 LYS 64 0.733 -12.339 -6.817 489 2HE LYS 64 HE1 LYS 64 0.489 -10.742 -6.111 490 1HZ LYS 64 HZ1 LYS 64 1.916 -11.158 -8.303 491 2HZ LYS 64 HZ2 LYS 64 3.148 -11.293 -7.151 492 3HZ LYS 64 HZ3 LYS 64 2.222 -9.881 -7.237 493 H VAL 65 HN VAL 65 2.077 -11.631 -0.660 494 HA VAL 65 HA VAL 65 0.023 -9.595 -0.280 495 HB VAL 65 HB VAL 65 0.774 -9.098 2.002 496 1HG1 VAL 65 1HG1 VAL 65 0.069 -11.481 2.971 497 2HG1 VAL 65 2HG1 VAL 65 -0.429 -11.705 1.296 498 3HG1 VAL 65 3HG1 VAL 65 -1.087 -10.370 2.242 499 1HG2 VAL 65 1HG2 VAL 65 2.214 -10.673 3.208 500 2HG2 VAL 65 2HG2 VAL 65 3.041 -9.930 1.840 501 3HG2 VAL 65 3HG2 VAL 65 2.450 -11.586 1.716 502 H LYS 66 HN LYS 66 0.824 -7.591 -0.878 503 HA LYS 66 HA LYS 66 3.745 -7.252 -0.877 504 1HB LYS 66 HB2 LYS 66 3.389 -6.120 -3.217 505 2HB LYS 66 HB1 LYS 66 3.614 -7.856 -3.077 506 1HG LYS 66 HG2 LYS 66 0.848 -6.760 -3.036 507 2HG LYS 66 HG1 LYS 66 1.716 -6.852 -4.570 508 1HD LYS 66 HD2 LYS 66 2.043 -9.223 -4.298 509 2HD LYS 66 HD1 LYS 66 1.342 -9.175 -2.682 510 1HE LYS 66 HE2 LYS 66 -0.125 -8.463 -5.214 511 2HE LYS 66 HE1 LYS 66 -0.215 -10.028 -4.410 512 1HZ LYS 66 HZ1 LYS 66 -1.507 -7.552 -3.745 513 2HZ LYS 66 HZ2 LYS 66 -0.771 -8.291 -2.416 514 3HZ LYS 66 HZ3 LYS 66 -1.924 -9.134 -3.319 515 H HIS 67 HN HIS 67 4.128 -4.901 -2.045 516 HA HIS 67 HA HIS 67 2.407 -2.939 -0.675 517 1HB HIS 67 HB2 HIS 67 5.420 -2.747 -0.743 518 2HB HIS 67 HB1 HIS 67 4.298 -1.798 0.224 519 HD1 HIS 67 HD1 HIS 67 3.251 -2.998 2.323 520 HD2 HIS 67 HD2 HIS 67 6.197 -5.159 0.346 521 HE1 HIS 67 HE1 HIS 67 3.875 -4.871 3.882 522 HE2 HIS 67 HE2 HIS 67 5.579 -6.227 2.617 523 H TYR 68 HN TYR 68 2.469 -0.798 -1.584 524 HA TYR 68 HA TYR 68 3.833 -0.447 -4.162 525 1HB TYR 68 HB2 TYR 68 0.901 0.154 -3.720 526 2HB TYR 68 HB1 TYR 68 1.809 0.473 -5.183 527 HD1 TYR 68 HD1 TYR 68 1.398 -0.946 -6.930 528 HD2 TYR 68 HD2 TYR 68 1.095 -2.477 -2.972 529 HE1 TYR 68 HE1 TYR 68 0.667 -3.112 -7.831 530 HE2 TYR 68 HE2 TYR 68 0.373 -4.655 -3.865 531 HH TYR 68 HH TYR 68 -0.868 -5.371 -6.186 532 H LEU 69 HN LEU 69 5.229 1.099 -2.833 533 HA LEU 69 HA LEU 69 3.676 3.489 -2.134 534 1HB LEU 69 HB2 LEU 69 5.301 4.102 -0.483 535 2HB LEU 69 HB1 LEU 69 4.664 2.530 -0.209 536 HG LEU 69 HG LEU 69 6.630 1.488 -0.649 537 1HD1 LEU 69 1HD1 LEU 69 8.634 2.487 -1.579 538 2HD1 LEU 69 2HD1 LEU 69 7.798 4.028 -1.761 539 3HD1 LEU 69 3HD1 LEU 69 7.295 2.634 -2.719 540 1HD2 LEU 69 1HD2 LEU 69 8.323 2.947 0.673 541 2HD2 LEU 69 2HD2 LEU 69 6.873 2.337 1.464 542 3HD2 LEU 69 3HD2 LEU 69 6.931 4.004 0.895 543 H ILE 70 HN ILE 70 4.564 3.278 -4.716 544 HA ILE 70 HA ILE 70 6.738 5.270 -4.717 545 HB ILE 70 HB ILE 70 5.853 3.694 -7.114 546 1HG1 ILE 70 2HG1 ILE 70 8.145 3.139 -5.202 547 2HG1 ILE 70 1HG1 ILE 70 6.701 2.148 -5.363 548 1HG2 ILE 70 1HG2 ILE 70 8.342 4.357 -7.641 549 2HG2 ILE 70 2HG2 ILE 70 8.008 5.637 -6.475 550 3HG2 ILE 70 3HG2 ILE 70 7.020 5.489 -7.927 551 1HD1 ILE 70 1HD1 ILE 70 9.100 2.266 -7.020 552 2HD1 ILE 70 2HD1 ILE 70 7.580 2.180 -7.909 553 3HD1 ILE 70 3HD1 ILE 70 7.980 0.937 -6.727 554 H LEU 71 HN LEU 71 4.096 5.884 -4.116 555 HA LEU 71 HA LEU 71 3.216 7.492 -6.359 556 1HB LEU 71 HB2 LEU 71 1.262 7.510 -4.329 557 2HB LEU 71 HB1 LEU 71 1.177 6.717 -5.879 558 HG LEU 71 HG LEU 71 2.338 5.458 -3.397 559 1HD1 LEU 71 1HD1 LEU 71 -0.391 5.459 -4.583 560 2HD1 LEU 71 2HD1 LEU 71 0.092 5.652 -2.898 561 3HD1 LEU 71 3HD1 LEU 71 0.181 4.065 -3.668 562 1HD2 LEU 71 1HD2 LEU 71 3.016 4.670 -5.814 563 2HD2 LEU 71 2HD2 LEU 71 1.403 3.964 -5.813 564 3HD2 LEU 71 3HD2 LEU 71 2.571 3.487 -4.585 565 HA PRO 72 HA PRO 72 4.843 10.559 -3.194 566 1HB PRO 72 HB2 PRO 72 6.490 11.876 -4.895 567 2HB PRO 72 HB1 PRO 72 7.012 10.461 -3.976 568 1HG PRO 72 HG2 PRO 72 6.070 10.625 -6.817 569 2HG PRO 72 HG1 PRO 72 7.473 9.766 -6.160 570 1HD PRO 72 HD2 PRO 72 5.178 8.493 -6.724 571 2HD PRO 72 HD1 PRO 72 6.180 8.026 -5.338 572 H SER 73 HN SER 73 3.060 11.860 -3.026 573 HA SER 73 HA SER 73 1.432 12.880 -4.959 574 1HB SER 73 HB2 SER 73 0.887 14.720 -3.407 575 2HB SER 73 HB1 SER 73 0.997 13.178 -2.560 576 HG SER 73 HG SER 73 2.399 15.428 -2.154 577 H GLU 74 HN GLU 74 2.244 13.614 -6.838 578 HA GLU 74 HA GLU 74 4.357 15.649 -6.773 579 1HB GLU 74 HB2 GLU 74 4.197 13.449 -8.278 580 2HB GLU 74 HB1 GLU 74 3.322 14.547 -9.335 581 1HG GLU 74 HG2 GLU 74 5.688 14.416 -9.906 582 2HG GLU 74 HG1 GLU 74 5.226 16.041 -9.408 583 H GLU 75 HN GLU 75 4.146 17.319 -8.646 584 HA GLU 75 HA GLU 75 1.517 18.571 -8.332 585 1HB GLU 75 HB2 GLU 75 4.109 19.709 -9.406 586 2HB GLU 75 HB1 GLU 75 2.620 20.613 -9.165 587 1HG GLU 75 HG2 GLU 75 4.226 19.280 -6.997 588 2HG GLU 75 HG1 GLU 75 4.244 20.999 -7.379 589 H GLU 76 HN GLU 76 2.672 16.398 -10.245 590 HA GLU 76 HA GLU 76 1.455 17.474 -12.691 591 1HB GLU 76 HB2 GLU 76 3.858 16.934 -12.971 592 2HB GLU 76 HB1 GLU 76 3.544 15.293 -12.426 593 1HG GLU 76 HG2 GLU 76 2.120 14.908 -14.362 594 2HG GLU 76 HG1 GLU 76 2.394 16.564 -14.901 595 H GLY 77 HN GLY 77 0.977 15.610 -10.038 596 1HA GLY 77 HA2 GLY 77 -1.378 14.399 -10.960 597 2HA GLY 77 HA1 GLY 77 -0.094 13.196 -10.975 598 H ARG 78 HN ARG 78 -2.310 12.896 -9.327 599 HA ARG 78 HA ARG 78 -1.736 13.878 -6.694 600 1HB ARG 78 HB2 ARG 78 -3.601 11.654 -7.537 601 2HB ARG 78 HB1 ARG 78 -3.629 12.514 -6.004 602 1HG ARG 78 HG2 ARG 78 -4.111 13.790 -8.688 603 2HG ARG 78 HG1 ARG 78 -5.381 13.241 -7.599 604 1HD ARG 78 HD2 ARG 78 -5.149 15.566 -7.234 605 2HD ARG 78 HD1 ARG 78 -4.388 14.770 -5.859 606 HE ARG 78 HE ARG 78 -2.456 15.294 -7.841 607 1HH1 ARG 78 HH11 ARG 78 -4.427 16.943 -5.480 608 2HH1 ARG 78 HH12 ARG 78 -3.314 18.255 -5.282 609 1HH2 ARG 78 HH21 ARG 78 -0.990 17.020 -7.584 610 2HH2 ARG 78 HH22 ARG 78 -1.363 18.298 -6.477 611 H LEU 79 HN LEU 79 -2.556 10.679 -6.204 612 HA LEU 79 HA LEU 79 0.095 10.060 -5.231 613 1HB LEU 79 HB2 LEU 79 -2.475 8.475 -5.285 614 2HB LEU 79 HB1 LEU 79 -0.984 7.880 -4.578 615 HG LEU 79 HG LEU 79 -2.480 8.714 -2.853 616 1HD1 LEU 79 1HD1 LEU 79 0.030 9.013 -2.716 617 2HD1 LEU 79 2HD1 LEU 79 -0.942 10.042 -1.665 618 3HD1 LEU 79 3HD1 LEU 79 -0.245 10.701 -3.146 619 1HD2 LEU 79 1HD2 LEU 79 -2.218 11.487 -3.946 620 2HD2 LEU 79 2HD2 LEU 79 -3.380 10.849 -2.784 621 3HD2 LEU 79 3HD2 LEU 79 -3.516 10.425 -4.490 622 H TYR 80 HN TYR 80 1.638 8.941 -6.329 623 HA TYR 80 HA TYR 80 0.926 8.035 -8.993 624 1HB TYR 80 HB2 TYR 80 3.558 8.529 -7.664 625 2HB TYR 80 HB1 TYR 80 3.456 7.698 -9.209 626 HD1 TYR 80 HD1 TYR 80 4.167 9.104 -10.882 627 HD2 TYR 80 HD2 TYR 80 1.687 10.682 -7.808 628 HE1 TYR 80 HE1 TYR 80 4.124 11.273 -12.039 629 HE2 TYR 80 HE2 TYR 80 1.636 12.854 -8.957 630 HH TYR 80 HH TYR 80 3.715 13.823 -11.148 631 H PHE 81 HN PHE 81 0.038 6.045 -9.072 632 HA PHE 81 HA PHE 81 1.445 3.880 -7.745 633 1HB PHE 81 HB2 PHE 81 -1.310 3.691 -8.923 634 2HB PHE 81 HB1 PHE 81 -0.479 2.464 -7.983 635 HD1 PHE 81 HD1 PHE 81 -0.965 2.242 -5.755 636 HD2 PHE 81 HD2 PHE 81 -1.794 5.945 -7.689 637 HE1 PHE 81 HE1 PHE 81 -2.168 3.016 -3.751 638 HE2 PHE 81 HE2 PHE 81 -2.983 6.729 -5.681 639 HZ PHE 81 HZ PHE 81 -3.175 5.265 -3.711 640 H SER 82 HN SER 82 2.138 2.156 -8.811 641 HA SER 82 HA SER 82 1.446 1.710 -11.542 642 1HB SER 82 HB2 SER 82 3.221 3.236 -11.998 643 2HB SER 82 HB1 SER 82 4.279 2.474 -10.822 644 HG SER 82 HG SER 82 3.559 1.637 -13.385 645 H MET 83 HN MET 83 2.072 -0.374 -12.224 646 HA MET 83 HA MET 83 3.285 -2.189 -10.378 647 1HB MET 83 HB2 MET 83 1.325 -3.745 -10.442 648 2HB MET 83 HB1 MET 83 1.043 -2.256 -9.555 649 1HG MET 83 HG2 MET 83 -0.061 -1.334 -11.583 650 2HG MET 83 HG1 MET 83 0.081 -2.928 -12.321 651 1HE MET 83 HE1 MET 83 -1.431 -2.503 -8.242 652 2HE MET 83 HE2 MET 83 -2.430 -1.301 -9.056 653 3HE MET 83 HE3 MET 83 -0.672 -1.205 -9.162 654 H ASP 84 HN ASP 84 2.676 -4.594 -11.524 655 HA ASP 84 HA ASP 84 4.395 -4.800 -13.651 656 1HB ASP 84 HB2 ASP 84 3.544 -6.739 -12.403 657 2HB ASP 84 HB1 ASP 84 1.960 -6.522 -13.139 658 H ASP 85 HN ASP 85 0.871 -4.371 -13.788 659 HA ASP 85 HA ASP 85 1.176 -3.256 -16.474 660 1HB ASP 85 HB2 ASP 85 -0.781 -4.522 -17.285 661 2HB ASP 85 HB1 ASP 85 0.546 -5.587 -16.831 662 H GLY 86 HN GLY 86 0.801 -1.878 -14.042 663 1HA GLY 86 HA2 GLY 86 -1.836 -0.698 -14.581 664 2HA GLY 86 HA1 GLY 86 -1.431 -1.147 -12.934 665 H GLN 87 HN GLN 87 -1.976 1.448 -14.392 666 HA GLN 87 HA GLN 87 0.210 2.973 -13.177 667 1HB GLN 87 HB2 GLN 87 0.202 4.489 -15.173 668 2HB GLN 87 HB1 GLN 87 0.825 2.877 -15.508 669 1HG GLN 87 HG2 GLN 87 -1.304 2.233 -16.480 670 2HG GLN 87 HG1 GLN 87 -1.971 3.819 -16.112 671 H THR 88 HN THR 88 -1.558 3.212 -11.556 672 HA THR 88 HA THR 88 -3.700 4.948 -12.501 673 HB THR 88 HB THR 88 -4.871 4.349 -10.423 674 HG1 THR 88 HG1 THR 88 -3.981 2.747 -9.116 675 1HG2 THR 88 1HG2 THR 88 -4.491 1.672 -11.073 676 2HG2 THR 88 2HG2 THR 88 -4.196 2.560 -12.573 677 3HG2 THR 88 3HG2 THR 88 -5.725 2.761 -11.709 678 H ARG 89 HN ARG 89 -0.905 5.752 -11.651 679 HA ARG 89 HA ARG 89 -0.659 7.202 -9.413 680 1HB ARG 89 HB2 ARG 89 0.687 8.845 -10.686 681 2HB ARG 89 HB1 ARG 89 1.076 7.179 -11.088 682 1HG ARG 89 HG2 ARG 89 -0.083 7.322 -13.156 683 2HG ARG 89 HG1 ARG 89 -0.786 8.881 -12.725 684 1HD ARG 89 HD2 ARG 89 1.427 9.899 -12.734 685 2HD ARG 89 HD1 ARG 89 2.155 8.338 -13.119 686 HE ARG 89 HE ARG 89 0.243 8.928 -15.074 687 1HH1 ARG 89 HH11 ARG 89 3.340 10.088 -13.962 688 2HH1 ARG 89 HH12 ARG 89 3.813 10.692 -15.515 689 1HH2 ARG 89 HH21 ARG 89 0.862 9.722 -17.118 690 2HH2 ARG 89 HH22 ARG 89 2.407 10.485 -17.306 691 H PHE 90 HN PHE 90 -3.067 7.583 -9.077 692 HA PHE 90 HA PHE 90 -3.593 10.413 -9.578 693 1HB PHE 90 HB2 PHE 90 -4.822 8.989 -11.283 694 2HB PHE 90 HB1 PHE 90 -5.734 8.305 -9.944 695 HD1 PHE 90 HD1 PHE 90 -4.683 11.813 -10.599 696 HD2 PHE 90 HD2 PHE 90 -7.901 9.058 -10.199 697 HE1 PHE 90 HE1 PHE 90 -6.289 13.671 -10.760 698 HE2 PHE 90 HE2 PHE 90 -9.513 10.910 -10.360 699 HZ PHE 90 HZ PHE 90 -8.707 13.220 -10.641 700 H THR 91 HN THR 91 -5.920 10.766 -8.213 701 HA THR 91 HA THR 91 -5.181 10.532 -5.522 702 HB THR 91 HB THR 91 -7.887 10.971 -6.789 703 HG1 THR 91 HG1 THR 91 -6.069 12.760 -5.564 704 1HG2 THR 91 1HG2 THR 91 -8.593 11.918 -4.630 705 2HG2 THR 91 2HG2 THR 91 -7.118 11.285 -3.901 706 3HG2 THR 91 3HG2 THR 91 -8.319 10.177 -4.566 707 H ASP 92 HN ASP 92 -6.432 9.305 -3.828 708 HA ASP 92 HA ASP 92 -7.247 6.667 -4.852 709 1HB ASP 92 HB2 ASP 92 -6.239 5.702 -2.754 710 2HB ASP 92 HB1 ASP 92 -5.082 6.348 -3.912 711 H LEU 93 HN LEU 93 -7.409 8.772 -1.980 712 HA LEU 93 HA LEU 93 -9.300 7.607 -0.463 713 1HB LEU 93 HB2 LEU 93 -8.196 9.788 -0.020 714 2HB LEU 93 HB1 LEU 93 -9.297 10.544 -1.153 715 HG LEU 93 HG LEU 93 -10.173 9.145 1.376 716 1HD1 LEU 93 1HD1 LEU 93 -9.666 12.056 0.801 717 2HD1 LEU 93 2HD1 LEU 93 -8.898 11.049 2.028 718 3HD1 LEU 93 3HD1 LEU 93 -10.602 11.476 2.178 719 1HD2 LEU 93 1HD2 LEU 93 -12.067 9.145 0.098 720 2HD2 LEU 93 2HD2 LEU 93 -11.574 10.559 -0.832 721 3HD2 LEU 93 3HD2 LEU 93 -12.188 10.754 0.809 722 H LEU 94 HN LEU 94 -10.172 9.917 -3.043 723 HA LEU 94 HA LEU 94 -12.880 9.771 -2.979 724 1HB LEU 94 HB2 LEU 94 -11.515 11.175 -4.509 725 2HB LEU 94 HB1 LEU 94 -11.228 9.762 -5.504 726 HG LEU 94 HG LEU 94 -12.972 11.272 -6.409 727 1HD1 LEU 94 1HD1 LEU 94 -14.204 9.569 -7.267 728 2HD1 LEU 94 2HD1 LEU 94 -14.447 8.802 -5.698 729 3HD1 LEU 94 3HD1 LEU 94 -12.907 8.623 -6.539 730 1HD2 LEU 94 1HD2 LEU 94 -14.820 11.898 -5.280 731 2HD2 LEU 94 2HD2 LEU 94 -13.806 11.579 -3.873 732 3HD2 LEU 94 3HD2 LEU 94 -14.954 10.361 -4.428 733 H GLN 95 HN GLN 95 -10.884 7.612 -5.036 734 HA GLN 95 HA GLN 95 -13.054 5.971 -5.741 735 1HB GLN 95 HB2 GLN 95 -11.304 4.541 -6.664 736 2HB GLN 95 HB1 GLN 95 -11.092 6.203 -7.142 737 1HG GLN 95 HG2 GLN 95 -9.320 6.480 -5.550 738 2HG GLN 95 HG1 GLN 95 -9.600 4.864 -4.899 739 H LEU 96 HN LEU 96 -10.588 5.816 -3.227 740 HA LEU 96 HA LEU 96 -10.707 3.246 -2.363 741 1HB LEU 96 HB2 LEU 96 -9.359 5.091 -1.359 742 2HB LEU 96 HB1 LEU 96 -10.802 5.649 -0.538 743 HG LEU 96 HG LEU 96 -9.554 2.932 -0.112 744 1HD1 LEU 96 1HD1 LEU 96 -9.026 4.046 2.164 745 2HD1 LEU 96 2HD1 LEU 96 -9.177 5.558 1.268 746 3HD1 LEU 96 3HD1 LEU 96 -7.973 4.363 0.786 747 1HD2 LEU 96 1HD2 LEU 96 -11.939 4.335 0.978 748 2HD2 LEU 96 2HD2 LEU 96 -11.000 3.309 2.063 749 3HD2 LEU 96 3HD2 LEU 96 -11.705 2.629 0.597 750 H VAL 97 HN VAL 97 -12.954 5.811 -1.341 751 HA VAL 97 HA VAL 97 -14.628 4.103 0.164 752 HB VAL 97 HB VAL 97 -15.330 6.763 -1.081 753 1HG1 VAL 97 1HG1 VAL 97 -17.342 5.769 -0.391 754 2HG1 VAL 97 2HG1 VAL 97 -16.886 6.832 0.940 755 3HG1 VAL 97 3HG1 VAL 97 -16.609 5.095 1.065 756 1HG2 VAL 97 1HG2 VAL 97 -13.843 6.019 1.400 757 2HG2 VAL 97 2HG2 VAL 97 -14.836 7.477 1.380 758 3HG2 VAL 97 3HG2 VAL 97 -13.511 7.297 0.230 759 H GLU 98 HN GLU 98 -15.373 5.742 -2.934 760 HA GLU 98 HA GLU 98 -17.686 4.195 -3.416 761 1HB GLU 98 HB2 GLU 98 -17.333 6.394 -4.431 762 2HB GLU 98 HB1 GLU 98 -15.986 5.759 -5.366 763 1HG GLU 98 HG2 GLU 98 -17.508 4.259 -6.545 764 2HG GLU 98 HG1 GLU 98 -18.859 4.889 -5.604 765 H PHE 99 HN PHE 99 -14.483 4.003 -5.007 766 HA PHE 99 HA PHE 99 -15.146 1.722 -6.517 767 1HB PHE 99 HB2 PHE 99 -12.469 2.850 -5.705 768 2HB PHE 99 HB1 PHE 99 -12.634 1.431 -6.725 769 HD1 PHE 99 HD1 PHE 99 -12.005 1.980 -8.850 770 HD2 PHE 99 HD2 PHE 99 -14.472 4.691 -6.685 771 HE1 PHE 99 HE1 PHE 99 -12.184 3.409 -10.844 772 HE2 PHE 99 HE2 PHE 99 -14.657 6.118 -8.674 773 HZ PHE 99 HZ PHE 99 -13.511 5.480 -10.758 774 H HIS 100 HN HIS 100 -14.613 2.023 -3.186 775 HA HIS 100 HA HIS 100 -13.246 -0.119 -2.285 776 1HB HIS 100 HB2 HIS 100 -14.414 1.376 -0.771 777 2HB HIS 100 HB1 HIS 100 -15.971 0.815 -1.360 778 HD1 HIS 100 HD1 HIS 100 -16.180 -1.997 -0.971 779 HD2 HIS 100 HD2 HIS 100 -13.811 0.254 1.593 780 HE1 HIS 100 HE1 HIS 100 -15.944 -3.381 1.114 781 HE2 HIS 100 HE2 HIS 100 -14.639 -1.928 2.704 782 H GLN 101 HN GLN 101 -16.359 -0.174 -3.872 783 HA GLN 101 HA GLN 101 -17.116 -2.816 -3.372 784 1HB GLN 101 HB2 GLN 101 -17.678 -1.559 -6.031 785 2HB GLN 101 HB1 GLN 101 -18.724 -2.551 -5.031 786 1HG GLN 101 HG2 GLN 101 -18.097 0.361 -4.795 787 2HG GLN 101 HG1 GLN 101 -19.663 -0.431 -4.928 788 H LEU 102 HN LEU 102 -15.702 -1.570 -6.406 789 HA LEU 102 HA LEU 102 -14.210 -4.091 -6.656 790 1HB LEU 102 HB2 LEU 102 -15.710 -2.670 -8.857 791 2HB LEU 102 HB1 LEU 102 -14.623 -4.022 -9.105 792 HG LEU 102 HG LEU 102 -16.874 -4.833 -9.180 793 1HD1 LEU 102 1HD1 LEU 102 -16.398 -6.679 -8.033 794 2HD1 LEU 102 2HD1 LEU 102 -16.377 -5.818 -6.493 795 3HD1 LEU 102 3HD1 LEU 102 -14.935 -5.846 -7.509 796 1HD2 LEU 102 1HD2 LEU 102 -17.592 -4.229 -6.408 797 2HD2 LEU 102 2HD2 LEU 102 -18.560 -4.145 -7.880 798 3HD2 LEU 102 3HD2 LEU 102 -17.485 -2.815 -7.457 799 H ASN 103 HN ASN 103 -12.804 -2.189 -5.584 800 HA ASN 103 HA ASN 103 -11.574 -0.470 -7.575 801 1HB ASN 103 HB2 ASN 103 -11.941 0.358 -5.274 802 2HB ASN 103 HB1 ASN 103 -10.862 -0.889 -4.662 803 1HD2 ASN 103 1HD2 ASN 103 -8.920 -0.177 -4.213 804 2HD2 ASN 103 2HD2 ASN 103 -8.081 1.098 -5.023 805 H ARG 104 HN ARG 104 -9.708 -0.866 -8.626 806 HA ARG 104 HA ARG 104 -8.596 -3.419 -8.741 807 1HB ARG 104 HB2 ARG 104 -7.529 -0.735 -9.589 808 2HB ARG 104 HB1 ARG 104 -6.628 -2.219 -9.854 809 1HG ARG 104 HG2 ARG 104 -7.853 -1.579 -11.845 810 2HG ARG 104 HG1 ARG 104 -8.462 -3.103 -11.199 811 1HD ARG 104 HD2 ARG 104 -10.340 -1.943 -10.184 812 2HD ARG 104 HD1 ARG 104 -9.714 -0.395 -10.750 813 HE ARG 104 HE ARG 104 -10.036 -2.075 -12.961 814 1HH1 ARG 104 HH11 ARG 104 -11.990 -0.437 -10.579 815 2HH1 ARG 104 HH12 ARG 104 -13.357 -0.275 -11.628 816 1HH2 ARG 104 HH21 ARG 104 -11.832 -1.863 -14.345 817 2HH2 ARG 104 HH22 ARG 104 -13.269 -1.086 -13.767 818 H GLY 105 HN GLY 105 -8.187 -4.098 -6.591 819 1HA GLY 105 HA2 GLY 105 -6.348 -2.685 -4.911 820 2HA GLY 105 HA1 GLY 105 -6.982 -4.300 -4.635 821 H ILE 106 HN ILE 106 -6.018 -6.047 -5.998 822 HA ILE 106 HA ILE 106 -3.116 -5.688 -6.056 823 HB ILE 106 HB ILE 106 -4.265 -7.578 -4.812 824 1HG1 ILE 106 2HG1 ILE 106 -1.819 -7.501 -5.553 825 2HG1 ILE 106 1HG1 ILE 106 -2.483 -9.081 -5.159 826 1HG2 ILE 106 1HG2 ILE 106 -4.427 -9.496 -6.832 827 2HG2 ILE 106 2HG2 ILE 106 -5.278 -8.087 -7.458 828 3HG2 ILE 106 3HG2 ILE 106 -5.752 -8.786 -5.919 829 1HD1 ILE 106 1HD1 ILE 106 -2.850 -8.567 -7.929 830 2HD1 ILE 106 2HD1 ILE 106 -1.919 -9.840 -7.146 831 3HD1 ILE 106 3HD1 ILE 106 -1.168 -8.282 -7.495 832 H LEU 107 HN LEU 107 -1.813 -6.391 -7.820 833 HA LEU 107 HA LEU 107 -2.223 -5.480 -10.261 834 1HB LEU 107 HB2 LEU 107 -0.662 -7.720 -9.247 835 2HB LEU 107 HB1 LEU 107 -1.010 -7.836 -10.963 836 HG LEU 107 HG LEU 107 0.242 -5.414 -9.675 837 1HD1 LEU 107 1HD1 LEU 107 2.359 -6.196 -10.347 838 2HD1 LEU 107 2HD1 LEU 107 1.663 -7.509 -11.297 839 3HD1 LEU 107 3HD1 LEU 107 1.596 -7.563 -9.535 840 1HD2 LEU 107 1HD2 LEU 107 0.721 -4.739 -11.916 841 2HD2 LEU 107 2HD2 LEU 107 -0.996 -5.130 -11.829 842 3HD2 LEU 107 3HD2 LEU 107 0.131 -6.268 -12.561 843 HA PRO 108 HA PRO 108 -4.797 -8.699 -12.356 844 1HB PRO 108 HB2 PRO 108 -4.237 -11.345 -12.125 845 2HB PRO 108 HB1 PRO 108 -3.233 -10.213 -13.034 846 1HG PRO 108 HG2 PRO 108 -2.605 -11.613 -10.580 847 2HG PRO 108 HG1 PRO 108 -1.549 -10.597 -11.573 848 1HD PRO 108 HD2 PRO 108 -3.080 -9.914 -9.142 849 2HD PRO 108 HD1 PRO 108 -1.643 -9.137 -9.822 850 H CYS 109 HN CYS 109 -4.512 -11.125 -9.750 851 HA CYS 109 HA CYS 109 -7.060 -12.068 -9.785 852 1HB CYS 109 HB2 CYS 109 -5.435 -11.751 -7.256 853 2HB CYS 109 HB1 CYS 109 -6.712 -12.921 -7.553 854 HG CYS 109 HG CYS 109 -5.215 -14.754 -8.525 855 H LEU 110 HN LEU 110 -8.296 -11.914 -7.387 856 HA LEU 110 HA LEU 110 -10.244 -10.156 -7.508 857 1HB LEU 110 HB2 LEU 110 -8.786 -11.039 -5.040 858 2HB LEU 110 HB1 LEU 110 -10.203 -10.014 -4.937 859 HG LEU 110 HG LEU 110 -10.872 -12.283 -4.568 860 1HD1 LEU 110 1HD1 LEU 110 -11.791 -12.031 -7.358 861 2HD1 LEU 110 2HD1 LEU 110 -12.077 -10.639 -6.314 862 3HD1 LEU 110 3HD1 LEU 110 -12.713 -12.222 -5.868 863 1HD2 LEU 110 1HD2 LEU 110 -8.840 -13.169 -5.907 864 2HD2 LEU 110 2HD2 LEU 110 -9.935 -13.104 -7.288 865 3HD2 LEU 110 3HD2 LEU 110 -10.335 -14.105 -5.892 866 H LEU 111 HN LEU 111 -10.810 -8.076 -6.860 867 HA LEU 111 HA LEU 111 -8.542 -6.285 -6.341 868 1HB LEU 111 HB2 LEU 111 -9.750 -4.556 -7.690 869 2HB LEU 111 HB1 LEU 111 -9.093 -5.899 -8.594 870 HG LEU 111 HG LEU 111 -11.285 -5.198 -9.431 871 1HD1 LEU 111 1HD1 LEU 111 -12.071 -7.783 -8.354 872 2HD1 LEU 111 2HD1 LEU 111 -10.430 -7.765 -8.998 873 3HD1 LEU 111 3HD1 LEU 111 -11.783 -7.281 -10.020 874 1HD2 LEU 111 1HD2 LEU 111 -12.001 -4.705 -6.907 875 2HD2 LEU 111 2HD2 LEU 111 -12.721 -6.304 -7.101 876 3HD2 LEU 111 3HD2 LEU 111 -13.163 -4.999 -8.199 877 H ARG 112 HN ARG 112 -11.842 -7.095 -5.589 878 HA ARG 112 HA ARG 112 -12.737 -4.821 -4.286 879 1HB ARG 112 HB2 ARG 112 -13.180 -7.666 -3.358 880 2HB ARG 112 HB1 ARG 112 -14.199 -6.278 -3.006 881 1HG ARG 112 HG2 ARG 112 -14.737 -6.092 -5.396 882 2HG ARG 112 HG1 ARG 112 -13.754 -7.519 -5.712 883 1HD ARG 112 HD2 ARG 112 -16.114 -8.104 -5.576 884 2HD ARG 112 HD1 ARG 112 -15.204 -8.844 -4.259 885 HE ARG 112 HE ARG 112 -16.234 -6.402 -3.361 886 1HH1 ARG 112 HH11 ARG 112 -17.362 -9.557 -4.339 887 2HH1 ARG 112 HH12 ARG 112 -18.771 -9.502 -3.334 888 1HH2 ARG 112 HH21 ARG 112 -18.089 -6.328 -2.040 889 2HH2 ARG 112 HH22 ARG 112 -19.185 -7.669 -2.031 890 H HIS 113 HN HIS 113 -12.634 -4.084 -2.088 891 HA HIS 113 HA HIS 113 -10.767 -5.454 -0.321 892 1HB HIS 113 HB2 HIS 113 -9.336 -3.518 0.028 893 2HB HIS 113 HB1 HIS 113 -9.315 -3.999 -1.668 894 HD1 HIS 113 HD1 HIS 113 -11.350 -1.541 0.429 895 HD2 HIS 113 HD2 HIS 113 -9.468 -1.840 -3.263 896 HE1 HIS 113 HE1 HIS 113 -11.681 0.692 -0.677 897 HE2 HIS 113 HE2 HIS 113 -10.611 0.457 -2.946 898 H CYS 114 HN CYS 114 -10.721 -4.626 1.854 899 HA CYS 114 HA CYS 114 -12.901 -2.816 2.566 900 1HB CYS 114 HB2 CYS 114 -13.889 -5.031 2.728 901 2HB CYS 114 HB1 CYS 114 -12.549 -5.586 3.731 902 HG CYS 114 HG CYS 114 -14.073 -5.270 5.796 903 H CYS 115 HN CYS 115 -11.077 -4.931 4.741 904 HA CYS 115 HA CYS 115 -9.433 -2.663 5.598 905 1HB CYS 115 HB2 CYS 115 -11.084 -4.353 7.491 906 2HB CYS 115 HB1 CYS 115 -9.961 -3.080 7.959 907 HG CYS 115 HG CYS 115 -11.913 -1.599 5.920 908 H THR 116 HN THR 116 -8.296 -3.901 7.849 909 HA THR 116 HA THR 116 -6.987 -6.272 6.683 910 HB THR 116 HB THR 116 -5.698 -4.047 8.277 911 HG1 THR 116 HG1 THR 116 -5.447 -3.242 6.373 912 1HG2 THR 116 1HG2 THR 116 -3.566 -5.195 7.681 913 2HG2 THR 116 2HG2 THR 116 -4.526 -6.593 7.199 914 3HG2 THR 116 3HG2 THR 116 -4.555 -6.038 8.872 915 H ARG 117 HN ARG 117 -5.915 -7.678 8.338 916 HA ARG 117 HA ARG 117 -7.456 -7.636 10.856 917 1HB ARG 117 HB2 ARG 117 -8.085 -9.513 9.408 918 2HB ARG 117 HB1 ARG 117 -6.407 -10.030 9.341 919 1HG ARG 117 HG2 ARG 117 -7.678 -11.388 10.899 920 2HG ARG 117 HG1 ARG 117 -6.432 -10.462 11.740 921 1HD ARG 117 HD2 ARG 117 -8.535 -10.430 12.975 922 2HD ARG 117 HD1 ARG 117 -8.104 -8.816 12.414 923 HE ARG 117 HE ARG 117 -9.775 -9.996 10.507 924 1HH1 ARG 117 HH11 ARG 117 -9.920 -8.811 13.786 925 2HH1 ARG 117 HH12 ARG 117 -11.598 -8.395 13.694 926 1HH2 ARG 117 HH21 ARG 117 -11.982 -9.449 10.383 927 2HH2 ARG 117 HH22 ARG 117 -12.770 -8.757 11.763 928 H VAL 118 HN VAL 118 -5.954 -6.537 12.084 929 HA VAL 118 HA VAL 118 -3.633 -8.106 12.865 930 HB VAL 118 HB VAL 118 -2.241 -5.943 12.869 931 1HG1 VAL 118 1HG1 VAL 118 -1.407 -6.403 10.660 932 2HG1 VAL 118 2HG1 VAL 118 -2.926 -7.175 10.202 933 3HG1 VAL 118 3HG1 VAL 118 -1.884 -7.925 11.411 934 1HG2 VAL 118 1HG2 VAL 118 -3.176 -4.753 10.566 935 2HG2 VAL 118 2HG2 VAL 118 -3.336 -4.112 12.201 936 3HG2 VAL 118 3HG2 VAL 118 -4.648 -5.050 11.491 937 H ALA 119 HN ALA 119 -4.775 -4.771 13.464 938 HA ALA 119 HA ALA 119 -4.343 -5.085 16.285 939 1HB ALA 119 HB1 ALA 119 -5.215 -2.835 14.533 940 2HB ALA 119 HB2 ALA 119 -3.812 -2.948 15.596 941 3HB ALA 119 HB3 ALA 119 -5.421 -2.727 16.281 942 H LEU 120 HN LEU 120 -7.177 -3.569 14.922 943 HA LEU 120 HA LEU 120 -8.845 -5.153 16.741 944 1HB LEU 120 HB2 LEU 120 -9.460 -2.583 15.278 945 2HB LEU 120 HB1 LEU 120 -10.546 -3.403 16.385 946 HG LEU 120 HG LEU 120 -7.890 -2.162 17.107 947 1HD1 LEU 120 1HD1 LEU 120 -10.711 -1.253 17.252 948 2HD1 LEU 120 2HD1 LEU 120 -9.237 -0.334 16.946 949 3HD1 LEU 120 3HD1 LEU 120 -9.637 -0.838 18.588 950 1HD2 LEU 120 1HD2 LEU 120 -8.661 -2.636 19.446 951 2HD2 LEU 120 2HD2 LEU 120 -8.216 -4.061 18.504 952 3HD2 LEU 120 3HD2 LEU 120 -9.915 -3.664 18.752 953 HA PRO1135 HA PRO1135 10.188 -4.523 -12.645 954 1HB PRO1135 HB2 PRO1135 13.157 -4.679 -12.895 955 2HB PRO1135 HB1 PRO1135 11.904 -5.254 -14.000 956 1HG PRO1135 HG2 PRO1135 13.268 -3.026 -14.527 957 2HG PRO1135 HG1 PRO1135 11.537 -3.148 -14.893 958 1HD PRO1135 HD2 PRO1135 12.914 -1.684 -12.695 959 2HD PRO1135 HD1 PRO1135 11.422 -1.275 -13.566 960 H GLN1136 HN GLN1136 12.562 -3.445 -10.317 961 HA GLN1136 HA GLN1136 13.056 -5.973 -9.120 962 1HB GLN1136 HB2 GLN1136 14.494 -3.888 -8.937 963 2HB GLN1136 HB1 GLN1136 13.312 -3.278 -7.786 964 1HG GLN1136 HG2 GLN1136 15.085 -4.207 -6.534 965 2HG GLN1136 HG1 GLN1136 13.729 -5.328 -6.411 966 HA PRO1137 HA PRO1137 9.309 -6.162 -6.716 967 1HB PRO1137 HB2 PRO1137 9.783 -8.429 -5.384 968 2HB PRO1137 HB1 PRO1137 9.530 -8.431 -7.133 969 1HG PRO1137 HG2 PRO1137 12.067 -8.656 -5.585 970 2HG PRO1137 HG1 PRO1137 11.592 -9.466 -7.086 971 1HD PRO1137 HD2 PRO1137 13.220 -7.205 -6.893 972 2HD PRO1137 HD1 PRO1137 12.406 -7.770 -8.364 973 H GLU1138 HN GLU1138 10.725 -4.176 -5.669 974 HA GLU1138 HA GLU1138 11.058 -4.850 -2.822 975 1HB GLU1138 HB2 GLU1138 13.144 -4.117 -3.753 976 2HB GLU1138 HB1 GLU1138 12.393 -2.704 -4.477 977 1HG GLU1138 HG2 GLU1138 11.913 -1.872 -2.190 978 2HG GLU1138 HG1 GLU1138 12.805 -3.252 -1.549 979 2HN PTR1139 HN PTR1139 9.199 -3.067 -5.071 980 2HN PTR1139 HN PTR1139 9.199 -3.067 -5.071 981 HA PTR1139 HA PTR1139 7.584 -2.016 -2.967 982 HA PTR1139 HA PTR1139 7.584 -2.016 -2.967 983 1HB PTR1139 HB1 PTR1139 7.851 0.355 -4.138 984 1HB PTR1139 HB1 PTR1139 7.851 0.355 -4.138 985 2HB PTR1139 HB2 PTR1139 9.479 -0.284 -4.369 986 2HB PTR1139 HB2 PTR1139 9.479 -0.284 -4.369 987 HD1 PTR1139 HD1 PTR1139 6.889 -0.027 -1.696 988 HD1 PTR1139 HD1 PTR1139 6.889 -0.027 -1.696 989 HD2 PTR1139 HD2 PTR1139 11.009 0.089 -2.681 990 HD2 PTR1139 HD2 PTR1139 11.009 0.089 -2.681 991 HE1 PTR1139 HE1 PTR1139 7.406 0.556 0.610 992 HE1 PTR1139 HE1 PTR1139 7.406 0.556 0.610 993 HE2 PTR1139 HE2 PTR1139 11.538 0.704 -0.328 994 HE2 PTR1139 HE2 PTR1139 11.538 0.704 -0.328 995 H VAL1140 HN VAL1140 8.265 -1.947 -6.386 996 HA VAL1140 HA VAL1140 6.838 -2.351 -8.165 997 HB VAL1140 HB VAL1140 4.637 -2.431 -6.060 998 1HG1 VAL1140 1HG1 VAL1140 4.385 -2.496 -9.069 999 2HG1 VAL1140 2HG1 VAL1140 3.508 -1.492 -7.917 1000 3HG1 VAL1140 3HG1 VAL1140 3.174 -3.220 -8.013 1001 1HG2 VAL1140 1HG2 VAL1140 5.269 -4.658 -7.932 1002 2HG2 VAL1140 2HG2 VAL1140 4.616 -4.712 -6.295 1003 3HG2 VAL1140 3HG2 VAL1140 6.330 -4.376 -6.551 1004 H ASN1141 HN ASN1141 5.569 -1.197 -9.441 1005 HA ASN1141 HA ASN1141 4.536 0.688 -10.255 1006 1HB ASN1141 HB2 ASN1141 5.722 2.316 -8.000 1007 2HB ASN1141 HB1 ASN1141 4.404 2.746 -9.079 1008 1HD2 ASN1141 1HD2 ASN1141 5.126 1.867 -6.002 1009 2HD2 ASN1141 2HD2 ASN1141 3.595 1.258 -5.501 1010 H GLN1142 HN GLN1142 7.511 0.370 -8.565 1011 HA GLN1142 HA GLN1142 9.101 0.515 -10.854 1012 1HB GLN1142 HB2 GLN1142 9.280 2.726 -8.793 1013 2HB GLN1142 HB1 GLN1142 10.507 2.436 -10.010 1014 1HG GLN1142 HG2 GLN1142 9.442 3.802 -11.392 1015 2HG GLN1142 HG1 GLN1142 8.053 2.729 -11.379 1016 HA PRO1143 HA PRO1143 11.745 -1.919 -8.224 1017 1HB PRO1143 HB2 PRO1143 14.027 -0.253 -7.953 1018 2HB PRO1143 HB1 PRO1143 13.827 -1.578 -9.101 1019 1HG PRO1143 HG2 PRO1143 13.519 1.342 -9.513 1020 2HG PRO1143 HG1 PRO1143 13.998 0.087 -10.666 1021 1HD PRO1143 HD2 PRO1143 11.562 1.241 -10.736 1022 2HD PRO1143 HD1 PRO1143 11.807 -0.462 -11.171 1023 H ASP1144 HN ASP1144 11.277 1.470 -7.726 1024 HA ASP1144 HA ASP1144 10.067 1.479 -5.377 1025 1HB ASP1144 HB2 ASP1144 11.954 0.410 -4.250 1026 2HB ASP1144 HB1 ASP1144 13.063 1.627 -4.866 Start of MODEL 10 1 1H GLY 1 HT1 GLY 1 21.983 9.413 -7.583 2 2H GLY 1 HT2 GLY 1 21.963 8.473 -8.988 3 3H GLY 1 HT3 GLY 1 22.785 7.923 -7.617 4 1HA GLY 1 HA1 GLY 1 19.972 7.792 -8.268 5 2HA GLY 1 HA2 GLY 1 20.937 6.732 -7.253 6 H SER 2 HN SER 2 18.267 8.160 -6.939 7 HA SER 2 HA SER 2 18.608 10.053 -4.844 8 1HB SER 2 HB2 SER 2 16.606 10.087 -6.230 9 2HB SER 2 HB1 SER 2 16.163 8.475 -5.674 10 HG SER 2 HG SER 2 15.970 10.922 -4.378 11 HA PRO 3 HA PRO 3 17.420 6.404 -1.937 12 1HB PRO 3 HB2 PRO 3 17.541 3.884 -2.885 13 2HB PRO 3 HB1 PRO 3 16.092 4.882 -3.051 14 1HG PRO 3 HG2 PRO 3 18.238 4.309 -5.059 15 2HG PRO 3 HG1 PRO 3 16.479 4.344 -5.281 16 1HD PRO 3 HD2 PRO 3 18.107 6.407 -5.978 17 2HD PRO 3 HD1 PRO 3 16.423 6.632 -5.467 18 H ALA 4 HN ALA 4 19.420 7.042 -1.063 19 HA ALA 4 HA ALA 4 21.466 4.981 -1.174 20 1HB ALA 4 HB1 ALA 4 23.144 6.179 -2.092 21 2HB ALA 4 HB2 ALA 4 22.583 7.700 -1.397 22 3HB ALA 4 HB3 ALA 4 21.816 7.058 -2.850 23 H SER 5 HN SER 5 19.659 5.669 0.864 24 HA SER 5 HA SER 5 21.551 6.490 2.941 25 1HB SER 5 HB2 SER 5 18.754 7.618 2.662 26 2HB SER 5 HB1 SER 5 19.839 7.904 4.023 27 HG SER 5 HG SER 5 21.004 9.232 2.836 28 H GLY 6 HN GLY 6 20.291 6.213 5.183 29 1HA GLY 6 HA2 GLY 6 18.301 4.234 5.390 30 2HA GLY 6 HA1 GLY 6 19.874 3.460 5.502 31 H THR 7 HN THR 7 17.429 4.612 7.305 32 HA THR 7 HA THR 7 19.133 4.846 9.653 33 HB THR 7 HB THR 7 17.134 6.983 8.886 34 HG1 THR 7 HG1 THR 7 19.161 7.141 7.825 35 1HG2 THR 7 1HG2 THR 7 18.815 6.680 11.358 36 2HG2 THR 7 2HG2 THR 7 17.056 6.769 11.253 37 3HG2 THR 7 3HG2 THR 7 18.036 8.184 10.868 38 H SER 8 HN SER 8 17.869 4.769 11.681 39 HA SER 8 HA SER 8 15.425 3.174 11.298 40 1HB SER 8 HB2 SER 8 17.363 3.196 13.625 41 2HB SER 8 HB1 SER 8 15.911 2.201 13.518 42 HG SER 8 HG SER 8 17.077 0.826 12.465 43 H LEU 9 HN LEU 9 13.623 4.268 11.671 44 HA LEU 9 HA LEU 9 13.370 5.848 14.096 45 1HB LEU 9 HB2 LEU 9 12.818 7.017 11.367 46 2HB LEU 9 HB1 LEU 9 12.417 7.780 12.893 47 HG LEU 9 HG LEU 9 15.218 7.151 11.954 48 1HD1 LEU 9 1HD1 LEU 9 15.401 9.241 11.128 49 2HD1 LEU 9 2HD1 LEU 9 14.306 9.929 12.327 50 3HD1 LEU 9 3HD1 LEU 9 13.657 9.077 10.926 51 1HD2 LEU 9 1HD2 LEU 9 14.426 8.913 14.251 52 2HD2 LEU 9 2HD2 LEU 9 16.007 8.229 13.876 53 3HD2 LEU 9 3HD2 LEU 9 14.712 7.186 14.462 54 H SER 10 HN SER 10 11.058 6.604 14.377 55 HA SER 10 HA SER 10 9.076 5.058 12.920 56 1HB SER 10 HB2 SER 10 9.767 3.499 14.677 57 2HB SER 10 HB1 SER 10 9.468 4.730 15.905 58 HG SER 10 HG SER 10 7.743 3.142 15.532 59 H ALA 11 HN ALA 11 6.898 5.747 13.325 60 HA ALA 11 HA ALA 11 6.508 8.113 14.968 61 1HB ALA 11 HB1 ALA 11 7.204 9.220 13.008 62 2HB ALA 11 HB2 ALA 11 5.443 9.315 13.001 63 3HB ALA 11 HB3 ALA 11 6.266 8.143 11.971 64 H ALA 12 HN ALA 12 4.177 8.813 14.933 65 HA ALA 12 HA ALA 12 2.279 6.772 14.106 66 1HB ALA 12 HB1 ALA 12 2.278 7.598 16.992 67 2HB ALA 12 HB2 ALA 12 3.179 6.192 16.426 68 3HB ALA 12 HB3 ALA 12 1.428 6.256 16.225 69 H ILE 13 HN ILE 13 1.806 8.675 12.742 70 HA ILE 13 HA ILE 13 0.639 10.992 13.992 71 HB ILE 13 HB ILE 13 1.865 11.182 11.868 72 1HG1 ILE 13 2HG1 ILE 13 -1.066 11.909 11.650 73 2HG1 ILE 13 1HG1 ILE 13 0.176 12.868 12.447 74 1HG2 ILE 13 1HG2 ILE 13 0.033 9.078 11.079 75 2HG2 ILE 13 2HG2 ILE 13 1.562 9.577 10.357 76 3HG2 ILE 13 3HG2 ILE 13 0.068 10.405 9.918 77 1HD1 ILE 13 1HD1 ILE 13 0.781 13.809 10.536 78 2HD1 ILE 13 2HD1 ILE 13 -0.656 13.077 9.821 79 3HD1 ILE 13 3HD1 ILE 13 0.897 12.248 9.721 80 H HIS 14 HN HIS 14 -0.850 9.279 15.145 81 HA HIS 14 HA HIS 14 -3.354 9.131 13.592 82 1HB HIS 14 HB2 HIS 14 -2.438 7.191 15.725 83 2HB HIS 14 HB1 HIS 14 -3.937 7.095 14.808 84 HD1 HIS 14 HD1 HIS 14 -0.263 7.378 13.855 85 HD2 HIS 14 HD2 HIS 14 -3.680 5.232 12.879 86 HE1 HIS 14 HE1 HIS 14 0.441 5.791 12.046 87 HE2 HIS 14 HE2 HIS 14 -1.663 4.559 11.406 88 H ARG 15 HN ARG 15 -5.131 10.015 14.503 89 HA ARG 15 HA ARG 15 -4.917 10.851 17.304 90 1HB ARG 15 HB2 ARG 15 -6.354 12.791 16.737 91 2HB ARG 15 HB1 ARG 15 -4.801 12.808 15.905 92 1HG ARG 15 HG2 ARG 15 -5.839 12.000 13.870 93 2HG ARG 15 HG1 ARG 15 -7.389 11.837 14.690 94 1HD ARG 15 HD2 ARG 15 -5.912 14.393 14.036 95 2HD ARG 15 HD1 ARG 15 -7.451 13.835 13.387 96 HE ARG 15 HE ARG 15 -7.742 14.030 16.146 97 1HH1 ARG 15 HH11 ARG 15 -7.158 16.133 13.423 98 2HH1 ARG 15 HH12 ARG 15 -7.935 17.498 14.150 99 1HH2 ARG 15 HH21 ARG 15 -8.764 15.826 17.106 100 2HH2 ARG 15 HH22 ARG 15 -8.847 17.324 16.241 101 H THR 16 HN THR 16 -6.401 8.812 15.349 102 HA THR 16 HA THR 16 -8.646 8.482 17.177 103 HB THR 16 HB THR 16 -10.222 8.103 15.310 104 HG1 THR 16 HG1 THR 16 -8.169 9.140 13.656 105 1HG2 THR 16 1HG2 THR 16 -9.319 10.583 16.194 106 2HG2 THR 16 2HG2 THR 16 -10.831 10.227 15.359 107 3HG2 THR 16 3HG2 THR 16 -9.409 10.718 14.438 108 H GLN 17 HN GLN 17 -8.419 6.833 14.110 109 HA GLN 17 HA GLN 17 -7.038 4.546 15.229 110 1HB GLN 17 HB2 GLN 17 -8.891 2.994 14.539 111 2HB GLN 17 HB1 GLN 17 -9.256 3.999 15.932 112 1HG GLN 17 HG2 GLN 17 -11.177 3.892 14.507 113 2HG GLN 17 HG1 GLN 17 -10.518 5.525 14.465 114 H LEU 18 HN LEU 18 -6.572 6.498 13.146 115 HA LEU 18 HA LEU 18 -7.116 5.738 10.568 116 1HB LEU 18 HB2 LEU 18 -4.448 6.787 11.498 117 2HB LEU 18 HB1 LEU 18 -5.154 6.958 9.902 118 HG LEU 18 HG LEU 18 -6.114 8.274 12.442 119 1HD1 LEU 18 1HD1 LEU 18 -5.318 9.777 10.019 120 2HD1 LEU 18 2HD1 LEU 18 -4.034 9.048 10.983 121 3HD1 LEU 18 3HD1 LEU 18 -5.151 10.197 11.723 122 1HD2 LEU 18 1HD2 LEU 18 -7.872 9.252 11.227 123 2HD2 LEU 18 2HD2 LEU 18 -7.920 7.537 10.820 124 3HD2 LEU 18 3HD2 LEU 18 -7.226 8.693 9.683 125 H TRP 19 HN TRP 19 -5.762 4.716 8.947 126 HA TRP 19 HA TRP 19 -4.257 2.428 10.028 127 1HB TRP 19 HB2 TRP 19 -4.908 1.513 7.598 128 2HB TRP 19 HB1 TRP 19 -5.931 1.277 9.005 129 HD1 TRP 19 HD1 TRP 19 -8.323 1.451 8.185 130 HE1 TRP 19 HE1 TRP 19 -9.673 3.071 6.717 131 HE3 TRP 19 HE3 TRP 19 -4.535 4.551 6.670 132 HZ2 TRP 19 HZ2 TRP 19 -9.206 5.354 5.133 133 HZ3 TRP 19 HZ3 TRP 19 -5.078 6.425 5.180 134 HH2 TRP 19 HH2 TRP 19 -7.365 6.818 4.426 135 H PHE 20 HN PHE 20 -2.832 4.621 9.790 136 HA PHE 20 HA PHE 20 -1.373 4.386 7.244 137 1HB PHE 20 HB2 PHE 20 -2.474 6.596 7.764 138 2HB PHE 20 HB1 PHE 20 -1.377 6.745 9.132 139 HD1 PHE 20 HD1 PHE 20 0.414 8.118 8.797 140 HD2 PHE 20 HD2 PHE 20 -1.132 5.923 5.497 141 HE1 PHE 20 HE1 PHE 20 2.086 9.163 7.325 142 HE2 PHE 20 HE2 PHE 20 0.539 6.958 4.020 143 HZ PHE 20 HZ PHE 20 2.150 8.581 4.932 144 H HIS 21 HN HIS 21 0.787 3.933 7.282 145 HA HIS 21 HA HIS 21 2.193 4.014 9.856 146 1HB HIS 21 HB2 HIS 21 1.290 1.723 9.578 147 2HB HIS 21 HB1 HIS 21 2.155 1.580 8.054 148 HD1 HIS 21 HD1 HIS 21 4.857 1.678 8.287 149 HD2 HIS 21 HD2 HIS 21 2.706 0.964 11.769 150 HE1 HIS 21 HE1 HIS 21 6.523 0.752 9.928 151 HE2 HIS 21 HE2 HIS 21 5.179 0.245 11.998 152 H GLY 22 HN GLY 22 4.615 3.627 9.543 153 1HA GLY 22 HA2 GLY 22 5.452 5.094 7.146 154 2HA GLY 22 HA1 GLY 22 6.371 4.922 8.631 155 H ARG 23 HN ARG 23 7.937 3.446 8.695 156 HA ARG 23 HA ARG 23 8.383 1.841 6.331 157 1HB ARG 23 HB2 ARG 23 10.216 3.100 7.225 158 2HB ARG 23 HB1 ARG 23 10.079 2.287 8.776 159 1HG ARG 23 HG2 ARG 23 10.589 0.140 7.579 160 2HG ARG 23 HG1 ARG 23 10.939 1.104 6.144 161 1HD ARG 23 HD2 ARG 23 12.983 0.572 7.350 162 2HD ARG 23 HD1 ARG 23 12.675 2.306 7.379 163 HE ARG 23 HE ARG 23 11.561 1.190 9.682 164 1HH1 ARG 23 HH11 ARG 23 14.708 1.715 8.268 165 2HH1 ARG 23 HH12 ARG 23 15.516 1.812 9.796 166 1HH2 ARG 23 HH21 ARG 23 12.622 1.317 11.692 167 2HH2 ARG 23 HH22 ARG 23 14.331 1.584 11.741 168 H ILE 24 HN ILE 24 6.744 0.242 6.589 169 HA ILE 24 HA ILE 24 7.327 -1.727 8.702 170 HB ILE 24 HB ILE 24 4.969 -1.012 8.662 171 1HG1 ILE 24 2HG1 ILE 24 5.387 -3.848 7.698 172 2HG1 ILE 24 1HG1 ILE 24 5.525 -3.296 9.364 173 1HG2 ILE 24 1HG2 ILE 24 3.522 -1.440 6.810 174 2HG2 ILE 24 2HG2 ILE 24 4.822 -2.217 5.910 175 3HG2 ILE 24 3HG2 ILE 24 4.890 -0.486 6.237 176 1HD1 ILE 24 1HD1 ILE 24 3.316 -3.353 9.685 177 2HD1 ILE 24 2HD1 ILE 24 3.305 -4.392 8.259 178 3HD1 ILE 24 3HD1 ILE 24 2.966 -2.669 8.098 179 H SER 25 HN SER 25 8.756 -3.172 7.988 180 HA SER 25 HA SER 25 9.779 -3.662 5.592 181 1HB SER 25 HB2 SER 25 10.520 -4.857 7.573 182 2HB SER 25 HB1 SER 25 9.042 -5.817 7.578 183 HG SER 25 HG SER 25 10.921 -5.784 5.452 184 H ARG 26 HN ARG 26 8.444 -3.411 3.845 185 HA ARG 26 HA ARG 26 5.992 -4.562 3.370 186 1HB ARG 26 HB2 ARG 26 6.330 -4.102 1.018 187 2HB ARG 26 HB1 ARG 26 7.018 -2.787 1.950 188 1HG ARG 26 HG2 ARG 26 8.603 -5.045 0.736 189 2HG ARG 26 HG1 ARG 26 8.377 -3.456 0.009 190 1HD ARG 26 HD2 ARG 26 9.239 -2.739 2.447 191 2HD ARG 26 HD1 ARG 26 10.068 -4.281 2.279 192 HE ARG 26 HE ARG 26 10.482 -2.870 -0.079 193 1HH1 ARG 26 HH11 ARG 26 11.272 -2.612 3.317 194 2HH1 ARG 26 HH12 ARG 26 12.687 -1.651 3.046 195 1HH2 ARG 26 HH21 ARG 26 12.337 -1.586 -0.427 196 2HH2 ARG 26 HH22 ARG 26 13.289 -1.069 0.925 197 H GLU 27 HN GLU 27 9.165 -5.879 2.414 198 HA GLU 27 HA GLU 27 8.179 -8.242 1.261 199 1HB GLU 27 HB2 GLU 27 10.867 -7.610 2.479 200 2HB GLU 27 HB1 GLU 27 10.516 -9.096 1.606 201 1HG GLU 27 HG2 GLU 27 10.332 -6.312 0.476 202 2HG GLU 27 HG1 GLU 27 11.646 -7.456 0.199 203 H GLU 28 HN GLU 28 9.110 -7.472 4.581 204 HA GLU 28 HA GLU 28 8.807 -10.189 5.474 205 1HB GLU 28 HB2 GLU 28 10.349 -8.617 6.594 206 2HB GLU 28 HB1 GLU 28 8.972 -7.642 7.087 207 1HG GLU 28 HG2 GLU 28 8.118 -9.502 8.410 208 2HG GLU 28 HG1 GLU 28 9.495 -10.485 7.915 209 H SER 29 HN SER 29 6.771 -7.408 5.113 210 HA SER 29 HA SER 29 4.745 -7.918 6.930 211 1HB SER 29 HB2 SER 29 4.821 -5.880 5.574 212 2HB SER 29 HB1 SER 29 4.495 -6.821 4.119 213 HG SER 29 HG SER 29 2.732 -5.735 5.696 214 H GLN 30 HN GLN 30 4.992 -9.054 3.559 215 HA GLN 30 HA GLN 30 2.679 -10.581 3.495 216 1HB GLN 30 HB2 GLN 30 3.986 -12.015 1.799 217 2HB GLN 30 HB1 GLN 30 3.703 -10.323 1.429 218 1HG GLN 30 HG2 GLN 30 5.982 -9.813 2.243 219 2HG GLN 30 HG1 GLN 30 6.248 -11.542 2.458 220 H ARG 31 HN ARG 31 5.701 -11.265 5.062 221 HA ARG 31 HA ARG 31 5.293 -14.065 5.370 222 1HB ARG 31 HB2 ARG 31 7.517 -12.988 5.548 223 2HB ARG 31 HB1 ARG 31 6.996 -12.196 7.027 224 1HG ARG 31 HG2 ARG 31 8.305 -14.046 7.674 225 2HG ARG 31 HG1 ARG 31 6.627 -14.479 8.003 226 1HD ARG 31 HD2 ARG 31 8.126 -15.278 5.512 227 2HD ARG 31 HD1 ARG 31 7.988 -16.293 6.947 228 HE ARG 31 HE ARG 31 6.049 -15.970 4.914 229 1HH1 ARG 31 HH11 ARG 31 6.361 -16.369 8.368 230 2HH1 ARG 31 HH12 ARG 31 4.789 -17.070 8.554 231 1HH2 ARG 31 HH21 ARG 31 3.983 -16.895 5.159 232 2HH2 ARG 31 HH22 ARG 31 3.439 -17.369 6.732 233 H LEU 32 HN LEU 32 4.323 -11.226 7.166 234 HA LEU 32 HA LEU 32 3.155 -12.937 9.251 235 1HB LEU 32 HB2 LEU 32 3.747 -9.980 9.233 236 2HB LEU 32 HB1 LEU 32 2.889 -10.797 10.525 237 HG LEU 32 HG LEU 32 4.897 -12.195 10.935 238 1HD1 LEU 32 1HD1 LEU 32 6.012 -12.239 8.869 239 2HD1 LEU 32 2HD1 LEU 32 7.048 -11.291 9.935 240 3HD1 LEU 32 3HD1 LEU 32 6.028 -10.481 8.747 241 1HD2 LEU 32 1HD2 LEU 32 4.839 -10.479 12.441 242 2HD2 LEU 32 2HD2 LEU 32 4.891 -9.233 11.194 243 3HD2 LEU 32 3HD2 LEU 32 6.359 -10.112 11.625 244 H ILE 33 HN ILE 33 2.289 -9.869 7.635 245 HA ILE 33 HA ILE 33 -0.496 -10.234 8.111 246 HB ILE 33 HB ILE 33 0.944 -8.330 6.257 247 1HG1 ILE 33 2HG1 ILE 33 0.298 -6.657 7.999 248 2HG1 ILE 33 1HG1 ILE 33 -0.300 -7.979 8.993 249 1HG2 ILE 33 1HG2 ILE 33 -1.248 -7.072 6.313 250 2HG2 ILE 33 2HG2 ILE 33 -1.974 -8.546 6.952 251 3HG2 ILE 33 3HG2 ILE 33 -1.229 -8.552 5.353 252 1HD1 ILE 33 1HD1 ILE 33 2.531 -7.921 8.032 253 2HD1 ILE 33 2HD1 ILE 33 1.837 -8.797 9.395 254 3HD1 ILE 33 3HD1 ILE 33 2.027 -7.046 9.478 255 H GLY 34 HN GLY 34 1.552 -11.728 5.904 256 1HA GLY 34 HA2 GLY 34 -0.542 -11.972 3.868 257 2HA GLY 34 HA1 GLY 34 1.127 -12.502 3.699 258 H GLN 35 HN GLN 35 -0.643 -13.157 6.564 259 HA GLN 35 HA GLN 35 -0.829 -15.991 5.834 260 1HB GLN 35 HB2 GLN 35 -0.716 -16.518 8.177 261 2HB GLN 35 HB1 GLN 35 0.607 -15.419 7.821 262 1HG GLN 35 HG2 GLN 35 -0.250 -14.652 9.841 263 2HG GLN 35 HG1 GLN 35 -0.945 -13.566 8.640 264 H GLN 36 HN GLN 36 -2.537 -13.109 6.272 265 HA GLN 36 HA GLN 36 -4.874 -13.866 7.548 266 1HB GLN 36 HB2 GLN 36 -4.027 -11.710 5.832 267 2HB GLN 36 HB1 GLN 36 -5.687 -12.173 5.465 268 1HG GLN 36 HG2 GLN 36 -6.466 -11.353 7.387 269 2HG GLN 36 HG1 GLN 36 -5.118 -12.003 8.318 270 H GLY 37 HN GLY 37 -6.998 -14.405 6.631 271 1HA GLY 37 HA2 GLY 37 -6.689 -16.360 4.461 272 2HA GLY 37 HA1 GLY 37 -7.998 -16.327 5.636 273 H LEU 38 HN LEU 38 -7.610 -13.202 4.724 274 HA LEU 38 HA LEU 38 -9.943 -13.297 3.044 275 1HB LEU 38 HB2 LEU 38 -8.231 -10.995 3.965 276 2HB LEU 38 HB1 LEU 38 -9.693 -10.820 3.014 277 HG LEU 38 HG LEU 38 -10.160 -10.356 5.343 278 1HD1 LEU 38 1HD1 LEU 38 -12.140 -11.447 5.395 279 2HD1 LEU 38 2HD1 LEU 38 -11.411 -13.021 5.071 280 3HD1 LEU 38 3HD1 LEU 38 -11.667 -11.878 3.752 281 1HD2 LEU 38 1HD2 LEU 38 -9.782 -11.869 7.107 282 2HD2 LEU 38 2HD2 LEU 38 -8.282 -11.846 6.180 283 3HD2 LEU 38 3HD2 LEU 38 -9.409 -13.191 6.003 284 H VAL 39 HN VAL 39 -10.035 -12.032 1.017 285 HA VAL 39 HA VAL 39 -7.968 -12.906 -0.779 286 HB VAL 39 HB VAL 39 -9.388 -11.942 -2.545 287 1HG1 VAL 39 1HG1 VAL 39 -10.356 -13.915 -0.572 288 2HG1 VAL 39 2HG1 VAL 39 -10.084 -14.082 -2.307 289 3HG1 VAL 39 3HG1 VAL 39 -11.550 -13.301 -1.715 290 1HG2 VAL 39 1HG2 VAL 39 -10.554 -10.586 -0.248 291 2HG2 VAL 39 2HG2 VAL 39 -11.770 -11.344 -1.278 292 3HG2 VAL 39 3HG2 VAL 39 -10.636 -10.181 -1.963 293 H ASP 40 HN ASP 40 -7.557 -11.205 -2.661 294 HA ASP 40 HA ASP 40 -5.788 -9.278 -1.583 295 1HB ASP 40 HB2 ASP 40 -6.962 -9.337 -4.372 296 2HB ASP 40 HB1 ASP 40 -5.478 -8.537 -3.870 297 H GLY 41 HN GLY 41 -7.971 -8.774 -0.238 298 1HA GLY 41 HA2 GLY 41 -8.923 -6.214 -1.414 299 2HA GLY 41 HA1 GLY 41 -10.051 -7.324 -0.643 300 H LEU 42 HN LEU 42 -7.437 -7.706 1.178 301 HA LEU 42 HA LEU 42 -8.344 -5.656 3.048 302 1HB LEU 42 HB2 LEU 42 -6.705 -8.161 3.442 303 2HB LEU 42 HB1 LEU 42 -7.007 -7.001 4.713 304 HG LEU 42 HG LEU 42 -8.452 -9.151 4.577 305 1HD1 LEU 42 1HD1 LEU 42 -10.308 -6.898 4.772 306 2HD1 LEU 42 2HD1 LEU 42 -8.834 -6.712 5.721 307 3HD1 LEU 42 3HD1 LEU 42 -9.868 -8.119 5.966 308 1HD2 LEU 42 1HD2 LEU 42 -9.914 -7.447 2.569 309 2HD2 LEU 42 2HD2 LEU 42 -10.427 -9.007 3.209 310 3HD2 LEU 42 3HD2 LEU 42 -8.998 -8.904 2.181 311 H PHE 43 HN PHE 43 -7.375 -3.872 2.398 312 HA PHE 43 HA PHE 43 -4.456 -3.939 2.059 313 1HB PHE 43 HB2 PHE 43 -4.712 -1.858 0.756 314 2HB PHE 43 HB1 PHE 43 -5.604 -3.210 0.072 315 HD1 PHE 43 HD1 PHE 43 -7.334 -2.006 2.918 316 HD2 PHE 43 HD2 PHE 43 -6.560 -1.137 -1.173 317 HE1 PHE 43 HE1 PHE 43 -9.341 -0.605 2.844 318 HE2 PHE 43 HE2 PHE 43 -8.580 0.262 -1.254 319 HZ PHE 43 HZ PHE 43 -9.974 0.526 0.755 320 H LEU 44 HN LEU 44 -3.223 -2.051 2.644 321 HA LEU 44 HA LEU 44 -4.272 -0.419 4.839 322 1HB LEU 44 HB2 LEU 44 -3.149 -2.368 5.866 323 2HB LEU 44 HB1 LEU 44 -1.694 -2.000 4.961 324 HG LEU 44 HG LEU 44 -1.585 0.197 6.177 325 1HD1 LEU 44 1HD1 LEU 44 -4.125 -0.151 6.824 326 2HD1 LEU 44 2HD1 LEU 44 -3.018 0.762 7.848 327 3HD1 LEU 44 3HD1 LEU 44 -3.403 -0.912 8.241 328 1HD2 LEU 44 1HD2 LEU 44 -0.106 -1.462 6.923 329 2HD2 LEU 44 2HD2 LEU 44 -1.403 -2.425 7.629 330 3HD2 LEU 44 3HD2 LEU 44 -0.924 -0.905 8.383 331 H VAL 45 HN VAL 45 -3.275 1.670 4.923 332 HA VAL 45 HA VAL 45 -1.528 2.174 2.604 333 HB VAL 45 HB VAL 45 -3.215 4.163 4.123 334 1HG1 VAL 45 1HG1 VAL 45 -0.973 4.507 2.336 335 2HG1 VAL 45 2HG1 VAL 45 -1.893 5.721 3.224 336 3HG1 VAL 45 3HG1 VAL 45 -2.437 5.195 1.632 337 1HG2 VAL 45 1HG2 VAL 45 -3.564 3.082 1.329 338 2HG2 VAL 45 2HG2 VAL 45 -4.635 4.195 2.182 339 3HG2 VAL 45 3HG2 VAL 45 -4.475 2.528 2.735 340 H ARG 46 HN ARG 46 0.509 2.118 3.126 341 HA ARG 46 HA ARG 46 1.456 3.947 5.185 342 1HB ARG 46 HB2 ARG 46 3.064 2.315 6.068 343 2HB ARG 46 HB1 ARG 46 1.413 1.770 6.317 344 1HG ARG 46 HG2 ARG 46 2.997 -0.009 5.615 345 2HG ARG 46 HG1 ARG 46 1.595 0.166 4.566 346 1HD ARG 46 HD2 ARG 46 2.829 1.079 2.849 347 2HD ARG 46 HD1 ARG 46 4.115 1.622 3.919 348 HE ARG 46 HE ARG 46 3.762 -1.058 2.847 349 1HH1 ARG 46 HH11 ARG 46 5.623 1.166 4.786 350 2HH1 ARG 46 HH12 ARG 46 7.045 0.180 4.757 351 1HH2 ARG 46 HH21 ARG 46 5.616 -2.342 2.828 352 2HH2 ARG 46 HH22 ARG 46 7.041 -1.814 3.660 353 H GLU 47 HN GLU 47 4.026 3.988 4.972 354 HA GLU 47 HA GLU 47 4.730 3.562 2.193 355 1HB GLU 47 HB2 GLU 47 5.510 5.853 1.861 356 2HB GLU 47 HB1 GLU 47 3.799 5.840 2.241 357 1HG GLU 47 HG2 GLU 47 5.941 6.379 4.280 358 2HG GLU 47 HG1 GLU 47 5.141 7.640 3.347 359 H SER 48 HN SER 48 7.051 5.549 2.867 360 HA SER 48 HA SER 48 8.567 3.546 4.421 361 1HB SER 48 HB2 SER 48 9.686 5.364 2.290 362 2HB SER 48 HB1 SER 48 10.538 4.091 3.161 363 HG SER 48 HG SER 48 9.846 2.733 1.765 364 H GLN 49 HN GLN 49 10.139 4.279 5.778 365 HA GLN 49 HA GLN 49 10.023 7.131 6.462 366 1HB GLN 49 HB2 GLN 49 10.875 6.590 8.621 367 2HB GLN 49 HB1 GLN 49 9.659 5.359 8.302 368 1HG GLN 49 HG2 GLN 49 11.514 4.268 9.279 369 2HG GLN 49 HG1 GLN 49 11.521 3.854 7.571 370 H ARG 50 HN ARG 50 11.415 4.957 4.555 371 HA ARG 50 HA ARG 50 14.130 6.032 4.597 372 1HB ARG 50 HB2 ARG 50 13.916 3.569 4.697 373 2HB ARG 50 HB1 ARG 50 13.010 3.594 3.191 374 1HG ARG 50 HG2 ARG 50 15.220 2.939 2.666 375 2HG ARG 50 HG1 ARG 50 15.029 4.599 2.100 376 1HD ARG 50 HD2 ARG 50 16.281 3.837 4.735 377 2HD ARG 50 HD1 ARG 50 17.195 4.137 3.258 378 HE ARG 50 HE ARG 50 16.169 6.085 5.033 379 1HH1 ARG 50 HH11 ARG 50 16.697 5.477 1.637 380 2HH1 ARG 50 HH12 ARG 50 16.782 7.157 1.223 381 1HH2 ARG 50 HH21 ARG 50 16.283 8.291 4.491 382 2HH2 ARG 50 HH22 ARG 50 16.549 8.754 2.843 383 H ASN 51 HN ASN 51 11.411 5.256 2.337 384 HA ASN 51 HA ASN 51 12.649 6.834 0.258 385 1HB ASN 51 HB2 ASN 51 9.822 5.770 0.357 386 2HB ASN 51 HB1 ASN 51 10.734 6.246 -1.073 387 1HD2 ASN 51 1HD2 ASN 51 13.032 4.825 0.694 388 2HD2 ASN 51 2HD2 ASN 51 12.852 3.188 0.191 389 HA PRO 52 HA PRO 52 10.998 10.555 2.329 390 1HB PRO 52 HB2 PRO 52 12.363 11.852 0.039 391 2HB PRO 52 HB1 PRO 52 12.515 12.174 1.769 392 1HG PRO 52 HG2 PRO 52 14.456 10.921 0.444 393 2HG PRO 52 HG1 PRO 52 14.021 10.441 2.095 394 1HD PRO 52 HD2 PRO 52 13.310 9.141 -0.509 395 2HD PRO 52 HD1 PRO 52 13.797 8.396 1.022 396 H GLN 53 HN GLN 53 10.975 9.953 -1.137 397 HA GLN 53 HA GLN 53 8.381 11.340 -1.335 398 1HB GLN 53 HB2 GLN 53 10.369 10.802 -3.551 399 2HB GLN 53 HB1 GLN 53 8.891 11.742 -3.680 400 1HG GLN 53 HG2 GLN 53 11.268 12.462 -1.982 401 2HG GLN 53 HG1 GLN 53 10.909 13.132 -3.569 402 H GLY 54 HN GLY 54 8.214 8.891 -0.318 403 1HA GLY 54 HA2 GLY 54 7.181 7.361 -2.601 404 2HA GLY 54 HA1 GLY 54 8.275 6.595 -1.474 405 H PHE 55 HN PHE 55 5.141 7.047 -2.312 406 HA PHE 55 HA PHE 55 4.068 6.313 0.354 407 1HB PHE 55 HB2 PHE 55 2.789 7.738 -1.992 408 2HB PHE 55 HB1 PHE 55 1.840 7.002 -0.705 409 HD1 PHE 55 HD1 PHE 55 5.023 8.927 -0.505 410 HD2 PHE 55 HD2 PHE 55 0.877 8.769 0.432 411 HE1 PHE 55 HE1 PHE 55 5.261 10.967 0.837 412 HE2 PHE 55 HE2 PHE 55 1.104 10.816 1.779 413 HZ PHE 55 HZ PHE 55 3.297 11.918 1.983 414 H VAL 56 HN VAL 56 2.776 4.502 0.488 415 HA VAL 56 HA VAL 56 2.520 2.880 -1.929 416 HB VAL 56 HB VAL 56 4.180 1.546 -1.220 417 1HG1 VAL 56 1HG1 VAL 56 3.953 2.083 1.679 418 2HG1 VAL 56 2HG1 VAL 56 4.564 3.368 0.640 419 3HG1 VAL 56 3HG1 VAL 56 5.384 1.812 0.697 420 1HG2 VAL 56 1HG2 VAL 56 2.257 0.771 0.955 421 2HG2 VAL 56 2HG2 VAL 56 3.587 -0.198 0.333 422 3HG2 VAL 56 3HG2 VAL 56 2.212 0.165 -0.704 423 H LEU 57 HN LEU 57 1.002 1.304 -1.968 424 HA LEU 57 HA LEU 57 -1.096 1.481 0.079 425 1HB LEU 57 HB2 LEU 57 -1.913 2.245 -2.096 426 2HB LEU 57 HB1 LEU 57 -1.329 0.777 -2.855 427 HG LEU 57 HG LEU 57 -3.829 0.916 -2.402 428 1HD1 LEU 57 1HD1 LEU 57 -3.878 -1.319 -2.478 429 2HD1 LEU 57 2HD1 LEU 57 -2.977 -1.487 -0.972 430 3HD1 LEU 57 3HD1 LEU 57 -2.118 -1.211 -2.488 431 1HD2 LEU 57 1HD2 LEU 57 -3.821 1.867 -0.205 432 2HD2 LEU 57 2HD2 LEU 57 -2.824 0.550 0.418 433 3HD2 LEU 57 3HD2 LEU 57 -4.485 0.237 -0.093 434 H SER 58 HN SER 58 -1.274 -0.310 1.270 435 HA SER 58 HA SER 58 0.212 -2.666 0.406 436 1HB SER 58 HB2 SER 58 -1.014 -2.125 3.110 437 2HB SER 58 HB1 SER 58 0.225 -3.316 2.715 438 HG SER 58 HG SER 58 0.539 -0.508 2.441 439 H LEU 59 HN LEU 59 -0.711 -4.564 -0.097 440 HA LEU 59 HA LEU 59 -3.628 -4.750 0.225 441 1HB LEU 59 HB2 LEU 59 -1.862 -6.178 -1.758 442 2HB LEU 59 HB1 LEU 59 -3.599 -6.349 -1.633 443 HG LEU 59 HG LEU 59 -2.140 -3.816 -2.388 444 1HD1 LEU 59 1HD1 LEU 59 -2.905 -4.178 -4.599 445 2HD1 LEU 59 2HD1 LEU 59 -3.907 -5.541 -4.103 446 3HD1 LEU 59 3HD1 LEU 59 -2.150 -5.682 -4.075 447 1HD2 LEU 59 1HD2 LEU 59 -4.101 -3.137 -1.298 448 2HD2 LEU 59 2HD2 LEU 59 -5.044 -4.460 -1.986 449 3HD2 LEU 59 3HD2 LEU 59 -4.514 -3.127 -3.012 450 H CYS 60 HN CYS 60 -4.325 -7.170 0.201 451 HA CYS 60 HA CYS 60 -2.583 -8.861 1.762 452 1HB CYS 60 HB2 CYS 60 -3.974 -7.633 3.442 453 2HB CYS 60 HB1 CYS 60 -5.410 -8.240 2.630 454 HG CYS 60 HG CYS 60 -3.280 -10.649 3.526 455 H HIS 61 HN HIS 61 -2.445 -9.916 -0.091 456 HA HIS 61 HA HIS 61 -4.765 -10.815 -1.472 457 1HB HIS 61 HB2 HIS 61 -3.123 -10.312 -2.902 458 2HB HIS 61 HB1 HIS 61 -1.854 -10.734 -1.793 459 HD1 HIS 61 HD1 HIS 61 -4.459 -12.661 -3.836 460 HD2 HIS 61 HD2 HIS 61 -0.467 -12.857 -2.737 461 HE1 HIS 61 HE1 HIS 61 -3.538 -14.661 -5.035 462 HE2 HIS 61 HE2 HIS 61 -1.092 -14.694 -4.444 463 H LEU 62 HN LEU 62 -4.767 -13.316 -2.046 464 HA LEU 62 HA LEU 62 -4.708 -14.590 0.584 465 1HB LEU 62 HB2 LEU 62 -6.095 -16.379 -0.428 466 2HB LEU 62 HB1 LEU 62 -6.828 -14.792 -0.466 467 HG LEU 62 HG LEU 62 -7.176 -16.198 -2.516 468 1HD1 LEU 62 1HD1 LEU 62 -6.673 -13.457 -2.289 469 2HD1 LEU 62 2HD1 LEU 62 -7.564 -14.290 -3.563 470 3HD1 LEU 62 3HD1 LEU 62 -5.838 -13.979 -3.753 471 1HD2 LEU 62 1HD2 LEU 62 -4.912 -17.172 -2.588 472 2HD2 LEU 62 2HD2 LEU 62 -4.276 -15.593 -3.044 473 3HD2 LEU 62 3HD2 LEU 62 -5.394 -16.434 -4.115 474 H GLN 63 HN GLN 63 -2.388 -14.155 -0.467 475 HA GLN 63 HA GLN 63 -1.364 -16.717 -0.093 476 1HB GLN 63 HB2 GLN 63 -0.558 -15.267 -2.619 477 2HB GLN 63 HB1 GLN 63 0.212 -16.717 -2.002 478 1HG GLN 63 HG2 GLN 63 -1.876 -17.952 -2.292 479 2HG GLN 63 HG1 GLN 63 -2.639 -16.499 -2.933 480 H LYS 64 HN LYS 64 -0.926 -13.312 -0.692 481 HA LYS 64 HA LYS 64 0.978 -13.209 1.475 482 1HB LYS 64 HB2 LYS 64 2.715 -12.047 0.126 483 2HB LYS 64 HB1 LYS 64 2.455 -13.711 -0.374 484 1HG LYS 64 HG2 LYS 64 1.317 -13.079 -2.314 485 2HG LYS 64 HG1 LYS 64 1.075 -11.430 -1.737 486 1HD LYS 64 HD2 LYS 64 3.424 -10.965 -1.955 487 2HD LYS 64 HD1 LYS 64 3.753 -12.643 -2.394 488 1HE LYS 64 HE2 LYS 64 2.090 -10.679 -3.968 489 2HE LYS 64 HE1 LYS 64 3.727 -11.200 -4.364 490 1HZ LYS 64 HZ1 LYS 64 2.573 -12.634 -5.656 491 2HZ LYS 64 HZ2 LYS 64 1.199 -12.623 -4.670 492 3HZ LYS 64 HZ3 LYS 64 2.545 -13.549 -4.232 493 H VAL 65 HN VAL 65 2.001 -10.626 0.702 494 HA VAL 65 HA VAL 65 -0.302 -8.859 0.493 495 HB VAL 65 HB VAL 65 0.300 -7.478 2.344 496 1HG1 VAL 65 1HG1 VAL 65 -1.086 -9.113 3.185 497 2HG1 VAL 65 2HG1 VAL 65 0.299 -9.214 4.272 498 3HG1 VAL 65 3HG1 VAL 65 0.113 -10.387 2.970 499 1HG2 VAL 65 1HG2 VAL 65 2.851 -8.871 2.168 500 2HG2 VAL 65 2HG2 VAL 65 2.274 -8.677 3.823 501 3HG2 VAL 65 3HG2 VAL 65 2.476 -7.265 2.788 502 H LYS 66 HN LYS 66 0.349 -6.723 -0.328 503 HA LYS 66 HA LYS 66 3.148 -6.664 -1.267 504 1HB LYS 66 HB2 LYS 66 2.229 -5.638 -3.430 505 2HB LYS 66 HB1 LYS 66 2.082 -7.376 -3.210 506 1HG LYS 66 HG2 LYS 66 -0.228 -6.145 -2.127 507 2HG LYS 66 HG1 LYS 66 0.053 -5.479 -3.733 508 1HD LYS 66 HD2 LYS 66 -1.380 -7.476 -3.780 509 2HD LYS 66 HD1 LYS 66 0.116 -7.704 -4.684 510 1HE LYS 66 HE2 LYS 66 1.058 -8.835 -2.655 511 2HE LYS 66 HE1 LYS 66 -0.548 -8.747 -1.935 512 1HZ LYS 66 HZ1 LYS 66 -1.373 -10.016 -3.872 513 2HZ LYS 66 HZ2 LYS 66 -0.268 -10.880 -2.933 514 3HZ LYS 66 HZ3 LYS 66 0.220 -10.204 -4.403 515 H HIS 67 HN HIS 67 3.912 -4.567 -1.997 516 HA HIS 67 HA HIS 67 2.477 -2.274 -0.867 517 1HB HIS 67 HB2 HIS 67 5.328 -3.054 -0.234 518 2HB HIS 67 HB1 HIS 67 4.558 -1.557 0.274 519 HD1 HIS 67 HD1 HIS 67 2.445 -1.875 1.918 520 HD2 HIS 67 HD2 HIS 67 4.883 -5.197 1.422 521 HE1 HIS 67 HE1 HIS 67 1.880 -3.414 3.821 522 HE2 HIS 67 HE2 HIS 67 3.236 -5.488 3.387 523 H TYR 68 HN TYR 68 2.324 -0.777 -2.443 524 HA TYR 68 HA TYR 68 4.503 -0.539 -4.428 525 1HB TYR 68 HB2 TYR 68 1.766 0.662 -4.777 526 2HB TYR 68 HB1 TYR 68 2.939 0.232 -6.006 527 HD1 TYR 68 HD1 TYR 68 2.400 -1.543 -7.344 528 HD2 TYR 68 HD2 TYR 68 0.949 -1.515 -3.349 529 HE1 TYR 68 HE1 TYR 68 1.168 -3.626 -7.784 530 HE2 TYR 68 HE2 TYR 68 -0.282 -3.599 -3.770 531 HH TYR 68 HH TYR 68 -1.104 -4.715 -6.589 532 H LEU 69 HN LEU 69 5.890 0.987 -3.461 533 HA LEU 69 HA LEU 69 4.655 3.552 -2.688 534 1HB LEU 69 HB2 LEU 69 5.730 3.530 -0.740 535 2HB LEU 69 HB1 LEU 69 5.949 1.828 -1.052 536 HG LEU 69 HG LEU 69 8.033 2.448 -0.341 537 1HD1 LEU 69 1HD1 LEU 69 7.883 1.915 -3.072 538 2HD1 LEU 69 2HD1 LEU 69 9.283 1.760 -2.020 539 3HD1 LEU 69 3HD1 LEU 69 9.030 3.245 -2.913 540 1HD2 LEU 69 1HD2 LEU 69 8.931 4.726 -1.552 541 2HD2 LEU 69 2HD2 LEU 69 8.270 4.594 0.079 542 3HD2 LEU 69 3HD2 LEU 69 7.226 5.048 -1.263 543 H ILE 70 HN ILE 70 5.401 3.437 -5.328 544 HA ILE 70 HA ILE 70 8.132 4.509 -5.284 545 HB ILE 70 HB ILE 70 6.525 3.725 -7.698 546 1HG1 ILE 70 2HG1 ILE 70 8.630 2.315 -6.041 547 2HG1 ILE 70 1HG1 ILE 70 6.966 1.808 -6.293 548 1HG2 ILE 70 1HG2 ILE 70 9.153 4.992 -7.292 549 2HG2 ILE 70 2HG2 ILE 70 8.091 5.015 -8.698 550 3HG2 ILE 70 3HG2 ILE 70 9.141 3.628 -8.409 551 1HD1 ILE 70 1HD1 ILE 70 9.333 1.477 -8.003 552 2HD1 ILE 70 2HD1 ILE 70 7.814 1.820 -8.829 553 3HD1 ILE 70 3HD1 ILE 70 7.943 0.420 -7.766 554 H LEU 71 HN LEU 71 5.029 5.784 -5.405 555 HA LEU 71 HA LEU 71 6.269 8.350 -6.012 556 1HB LEU 71 HB2 LEU 71 3.820 7.427 -7.467 557 2HB LEU 71 HB1 LEU 71 4.545 9.011 -7.596 558 HG LEU 71 HG LEU 71 5.936 6.454 -8.377 559 1HD1 LEU 71 1HD1 LEU 71 3.809 7.119 -9.676 560 2HD1 LEU 71 2HD1 LEU 71 5.285 6.774 -10.583 561 3HD1 LEU 71 3HD1 LEU 71 4.794 8.445 -10.300 562 1HD2 LEU 71 1HD2 LEU 71 6.602 9.244 -9.252 563 2HD2 LEU 71 2HD2 LEU 71 7.610 7.797 -9.288 564 3HD2 LEU 71 3HD2 LEU 71 7.242 8.577 -7.750 565 HA PRO 72 HA PRO 72 3.540 9.442 -2.676 566 1HB PRO 72 HB2 PRO 72 4.726 11.708 -1.991 567 2HB PRO 72 HB1 PRO 72 5.580 10.171 -1.814 568 1HG PRO 72 HG2 PRO 72 5.884 12.272 -3.907 569 2HG PRO 72 HG1 PRO 72 7.119 11.268 -3.134 570 1HD PRO 72 HD2 PRO 72 5.917 10.796 -5.627 571 2HD PRO 72 HD1 PRO 72 6.892 9.643 -4.701 572 H SER 73 HN SER 73 2.272 11.390 -1.991 573 HA SER 73 HA SER 73 0.597 12.279 -4.064 574 1HB SER 73 HB2 SER 73 0.930 13.441 -1.289 575 2HB SER 73 HB1 SER 73 -0.432 13.731 -2.371 576 HG SER 73 HG SER 73 -1.270 11.985 -1.588 577 H GLU 74 HN GLU 74 0.812 13.889 -5.473 578 HA GLU 74 HA GLU 74 2.796 15.989 -4.859 579 1HB GLU 74 HB2 GLU 74 2.253 14.621 -7.494 580 2HB GLU 74 HB1 GLU 74 3.268 16.048 -7.316 581 1HG GLU 74 HG2 GLU 74 4.885 14.886 -6.086 582 2HG GLU 74 HG1 GLU 74 3.795 13.539 -5.765 583 H GLU 75 HN GLU 75 2.495 17.835 -6.658 584 HA GLU 75 HA GLU 75 -0.271 18.721 -6.291 585 1HB GLU 75 HB2 GLU 75 2.182 20.269 -7.154 586 2HB GLU 75 HB1 GLU 75 0.590 20.960 -6.869 587 1HG GLU 75 HG2 GLU 75 2.294 19.588 -4.801 588 2HG GLU 75 HG1 GLU 75 2.121 21.331 -4.998 589 H GLU 76 HN GLU 76 1.114 16.914 -8.401 590 HA GLU 76 HA GLU 76 -0.076 18.186 -10.760 591 1HB GLU 76 HB2 GLU 76 1.289 16.398 -12.000 592 2HB GLU 76 HB1 GLU 76 2.176 17.744 -11.299 593 1HG GLU 76 HG2 GLU 76 2.810 16.363 -9.405 594 2HG GLU 76 HG1 GLU 76 1.885 15.017 -10.060 595 H GLY 77 HN GLY 77 -0.598 16.019 -8.320 596 1HA GLY 77 HA2 GLY 77 -2.971 14.979 -9.438 597 2HA GLY 77 HA1 GLY 77 -1.711 13.753 -9.501 598 H ARG 78 HN ARG 78 -2.801 12.427 -7.984 599 HA ARG 78 HA ARG 78 -2.789 13.501 -5.239 600 1HB ARG 78 HB2 ARG 78 -4.443 11.142 -6.070 601 2HB ARG 78 HB1 ARG 78 -4.675 12.215 -4.698 602 1HG ARG 78 HG2 ARG 78 -5.304 12.693 -7.589 603 2HG ARG 78 HG1 ARG 78 -6.387 12.735 -6.199 604 1HD ARG 78 HD2 ARG 78 -5.930 14.876 -5.769 605 2HD ARG 78 HD1 ARG 78 -4.198 14.647 -5.995 606 HE ARG 78 HE ARG 78 -4.417 15.433 -8.121 607 1HH1 ARG 78 HH11 ARG 78 -7.567 14.462 -6.977 608 2HH1 ARG 78 HH12 ARG 78 -8.394 15.033 -8.388 609 1HH2 ARG 78 HH21 ARG 78 -5.502 16.185 -9.978 610 2HH2 ARG 78 HH22 ARG 78 -7.222 16.011 -10.092 611 H LEU 79 HN LEU 79 -3.408 10.197 -5.179 612 HA LEU 79 HA LEU 79 -0.790 9.617 -4.153 613 1HB LEU 79 HB2 LEU 79 -3.152 7.819 -4.719 614 2HB LEU 79 HB1 LEU 79 -1.674 7.288 -3.941 615 HG LEU 79 HG LEU 79 -3.384 7.653 -2.276 616 1HD1 LEU 79 1HD1 LEU 79 -1.093 8.175 -1.649 617 2HD1 LEU 79 2HD1 LEU 79 -2.230 9.245 -0.827 618 3HD1 LEU 79 3HD1 LEU 79 -1.306 9.834 -2.208 619 1HD2 LEU 79 1HD2 LEU 79 -4.570 9.400 -3.744 620 2HD2 LEU 79 2HD2 LEU 79 -3.483 10.562 -2.984 621 3HD2 LEU 79 3HD2 LEU 79 -4.597 9.620 -1.995 622 H TYR 80 HN TYR 80 0.936 8.703 -5.288 623 HA TYR 80 HA TYR 80 0.287 8.090 -8.072 624 1HB TYR 80 HB2 TYR 80 2.713 9.308 -6.844 625 2HB TYR 80 HB1 TYR 80 2.806 8.508 -8.408 626 HD1 TYR 80 HD1 TYR 80 -0.040 10.533 -7.159 627 HD2 TYR 80 HD2 TYR 80 3.269 10.306 -9.814 628 HE1 TYR 80 HE1 TYR 80 -0.829 12.545 -8.308 629 HE2 TYR 80 HE2 TYR 80 2.488 12.329 -10.969 630 HH TYR 80 HH TYR 80 0.457 13.582 -11.302 631 H PHE 81 HN PHE 81 -0.186 5.967 -7.959 632 HA PHE 81 HA PHE 81 2.071 4.259 -8.106 633 1HB PHE 81 HB2 PHE 81 0.965 2.486 -6.609 634 2HB PHE 81 HB1 PHE 81 1.822 3.806 -5.820 635 HD1 PHE 81 HD1 PHE 81 -1.560 4.046 -7.316 636 HD2 PHE 81 HD2 PHE 81 0.737 3.761 -3.744 637 HE1 PHE 81 HE1 PHE 81 -3.566 4.561 -5.992 638 HE2 PHE 81 HE2 PHE 81 -1.267 4.279 -2.413 639 HZ PHE 81 HZ PHE 81 -3.421 4.678 -3.536 640 H SER 82 HN SER 82 1.356 1.949 -8.581 641 HA SER 82 HA SER 82 -1.094 1.866 -10.119 642 1HB SER 82 HB2 SER 82 0.017 1.281 -12.189 643 2HB SER 82 HB1 SER 82 0.558 2.865 -11.645 644 HG SER 82 HG SER 82 2.462 1.948 -10.934 645 H MET 83 HN MET 83 1.133 -0.278 -11.309 646 HA MET 83 HA MET 83 0.766 -2.360 -9.327 647 1HB MET 83 HB2 MET 83 -0.256 -2.681 -12.166 648 2HB MET 83 HB1 MET 83 -0.290 -3.905 -10.905 649 1HG MET 83 HG2 MET 83 -1.959 -2.779 -9.703 650 2HG MET 83 HG1 MET 83 -1.730 -1.292 -10.617 651 1HE MET 83 HE1 MET 83 -3.465 -5.085 -12.580 652 2HE MET 83 HE2 MET 83 -3.174 -5.033 -10.841 653 3HE MET 83 HE3 MET 83 -1.821 -4.909 -11.967 654 H ASP 84 HN ASP 84 1.515 -4.464 -11.138 655 HA ASP 84 HA ASP 84 4.320 -3.940 -11.330 656 1HB ASP 84 HB2 ASP 84 3.528 -6.203 -10.865 657 2HB ASP 84 HB1 ASP 84 2.665 -6.245 -12.398 658 H ASP 85 HN ASP 85 1.550 -3.914 -13.460 659 HA ASP 85 HA ASP 85 3.219 -2.667 -15.538 660 1HB ASP 85 HB2 ASP 85 1.199 -4.869 -16.000 661 2HB ASP 85 HB1 ASP 85 1.933 -3.912 -17.280 662 H GLY 86 HN GLY 86 1.561 -1.267 -13.696 663 1HA GLY 86 HA2 GLY 86 -0.535 -0.328 -15.555 664 2HA GLY 86 HA1 GLY 86 -0.853 -0.519 -13.839 665 H GLN 87 HN GLN 87 -1.403 1.855 -14.881 666 HA GLN 87 HA GLN 87 0.613 3.596 -13.672 667 1HB GLN 87 HB2 GLN 87 0.278 5.243 -15.536 668 2HB GLN 87 HB1 GLN 87 1.138 3.785 -16.008 669 1HG GLN 87 HG2 GLN 87 -1.819 4.124 -16.413 670 2HG GLN 87 HG1 GLN 87 -0.632 4.659 -17.599 671 H THR 88 HN THR 88 -1.120 3.453 -11.961 672 HA THR 88 HA THR 88 -3.417 5.114 -12.657 673 HB THR 88 HB THR 88 -4.563 4.094 -10.724 674 HG1 THR 88 HG1 THR 88 -3.005 3.436 -9.377 675 1HG2 THR 88 1HG2 THR 88 -3.980 1.592 -11.826 676 2HG2 THR 88 2HG2 THR 88 -3.829 2.757 -13.144 677 3HG2 THR 88 3HG2 THR 88 -5.330 2.659 -12.219 678 H ARG 89 HN ARG 89 -0.604 5.713 -11.427 679 HA ARG 89 HA ARG 89 -0.628 6.814 -8.994 680 1HB ARG 89 HB2 ARG 89 0.946 8.508 -9.824 681 2HB ARG 89 HB1 ARG 89 1.287 6.916 -10.482 682 1HG ARG 89 HG2 ARG 89 1.135 7.702 -12.542 683 2HG ARG 89 HG1 ARG 89 -0.507 8.267 -12.235 684 1HD ARG 89 HD2 ARG 89 0.418 10.342 -11.264 685 2HD ARG 89 HD1 ARG 89 2.042 9.770 -11.646 686 HE ARG 89 HE ARG 89 1.722 10.524 -13.764 687 1HH1 ARG 89 HH11 ARG 89 -1.417 9.943 -12.350 688 2HH1 ARG 89 HH12 ARG 89 -2.283 10.469 -13.753 689 1HH2 ARG 89 HH21 ARG 89 0.582 11.223 -15.606 690 2HH2 ARG 89 HH22 ARG 89 -1.150 11.198 -15.600 691 H PHE 90 HN PHE 90 -3.068 7.311 -8.863 692 HA PHE 90 HA PHE 90 -3.364 10.209 -9.041 693 1HB PHE 90 HB2 PHE 90 -5.749 9.897 -9.877 694 2HB PHE 90 HB1 PHE 90 -4.471 9.624 -11.047 695 HD1 PHE 90 HD1 PHE 90 -5.346 8.149 -12.570 696 HD2 PHE 90 HD2 PHE 90 -5.809 7.333 -8.421 697 HE1 PHE 90 HE1 PHE 90 -6.296 5.947 -13.111 698 HE2 PHE 90 HE2 PHE 90 -6.756 5.131 -8.955 699 HZ PHE 90 HZ PHE 90 -7.002 4.434 -11.303 700 H THR 91 HN THR 91 -6.085 10.271 -8.212 701 HA THR 91 HA THR 91 -5.943 10.368 -5.501 702 HB THR 91 HB THR 91 -8.383 9.518 -7.061 703 HG1 THR 91 HG1 THR 91 -7.840 11.385 -7.974 704 1HG2 THR 91 1HG2 THR 91 -8.991 9.323 -4.825 705 2HG2 THR 91 2HG2 THR 91 -9.533 10.936 -5.287 706 3HG2 THR 91 3HG2 THR 91 -8.051 10.737 -4.352 707 H ASP 92 HN ASP 92 -7.026 9.031 -3.835 708 HA ASP 92 HA ASP 92 -7.060 6.173 -4.405 709 1HB ASP 92 HB2 ASP 92 -4.759 6.629 -3.691 710 2HB ASP 92 HB1 ASP 92 -5.355 7.398 -2.224 711 H LEU 93 HN LEU 93 -7.001 8.093 -1.410 712 HA LEU 93 HA LEU 93 -8.755 6.745 0.114 713 1HB LEU 93 HB2 LEU 93 -7.520 8.795 0.762 714 2HB LEU 93 HB1 LEU 93 -8.702 9.752 -0.107 715 HG LEU 93 HG LEU 93 -9.365 7.992 2.256 716 1HD1 LEU 93 1HD1 LEU 93 -9.014 9.713 3.675 717 2HD1 LEU 93 2HD1 LEU 93 -9.451 10.933 2.480 718 3HD1 LEU 93 3HD1 LEU 93 -7.849 10.196 2.443 719 1HD2 LEU 93 1HD2 LEU 93 -11.335 9.781 2.160 720 2HD2 LEU 93 2HD2 LEU 93 -11.398 8.257 1.275 721 3HD2 LEU 93 3HD2 LEU 93 -10.929 9.739 0.443 722 H LEU 94 HN LEU 94 -9.845 9.451 -1.958 723 HA LEU 94 HA LEU 94 -12.569 9.114 -1.519 724 1HB LEU 94 HB2 LEU 94 -11.448 11.074 -2.592 725 2HB LEU 94 HB1 LEU 94 -11.282 10.122 -4.054 726 HG LEU 94 HG LEU 94 -13.177 11.710 -4.134 727 1HD1 LEU 94 1HD1 LEU 94 -14.537 10.306 -5.313 728 2HD1 LEU 94 2HD1 LEU 94 -14.437 9.018 -4.113 729 3HD1 LEU 94 3HD1 LEU 94 -13.087 9.307 -5.210 730 1HD2 LEU 94 1HD2 LEU 94 -14.767 11.844 -2.565 731 2HD2 LEU 94 2HD2 LEU 94 -13.612 10.987 -1.544 732 3HD2 LEU 94 3HD2 LEU 94 -14.877 10.092 -2.387 733 H GLN 95 HN GLN 95 -10.587 7.825 -4.186 734 HA GLN 95 HA GLN 95 -12.781 6.405 -5.345 735 1HB GLN 95 HB2 GLN 95 -10.896 7.192 -6.695 736 2HB GLN 95 HB1 GLN 95 -9.810 6.124 -5.816 737 1HG GLN 95 HG2 GLN 95 -10.947 4.185 -6.683 738 2HG GLN 95 HG1 GLN 95 -12.142 5.207 -7.473 739 H LEU 96 HN LEU 96 -10.509 5.730 -2.860 740 HA LEU 96 HA LEU 96 -10.362 2.953 -2.955 741 1HB LEU 96 HB2 LEU 96 -8.925 4.235 -1.513 742 2HB LEU 96 HB1 LEU 96 -10.294 4.856 -0.616 743 HG LEU 96 HG LEU 96 -9.587 1.927 -0.651 744 1HD1 LEU 96 1HD1 LEU 96 -8.074 2.177 1.001 745 2HD1 LEU 96 2HD1 LEU 96 -8.925 3.545 1.718 746 3HD1 LEU 96 3HD1 LEU 96 -7.889 3.789 0.312 747 1HD2 LEU 96 1HD2 LEU 96 -11.551 3.649 0.744 748 2HD2 LEU 96 2HD2 LEU 96 -10.781 2.382 1.700 749 3HD2 LEU 96 3HD2 LEU 96 -11.676 1.963 0.238 750 H VAL 97 HN VAL 97 -12.550 4.952 -0.978 751 HA VAL 97 HA VAL 97 -14.113 2.796 -0.060 752 HB VAL 97 HB VAL 97 -14.900 5.704 -0.292 753 1HG1 VAL 97 1HG1 VAL 97 -16.792 4.159 0.071 754 2HG1 VAL 97 2HG1 VAL 97 -16.514 5.228 1.447 755 3HG1 VAL 97 3HG1 VAL 97 -15.986 3.546 1.516 756 1HG2 VAL 97 1HG2 VAL 97 -14.093 5.968 1.955 757 2HG2 VAL 97 2HG2 VAL 97 -12.795 5.299 0.968 758 3HG2 VAL 97 3HG2 VAL 97 -13.698 4.253 2.063 759 H GLU 98 HN GLU 98 -14.901 5.271 -2.524 760 HA GLU 98 HA GLU 98 -17.346 4.146 -3.293 761 1HB GLU 98 HB2 GLU 98 -16.702 6.433 -3.862 762 2HB GLU 98 HB1 GLU 98 -15.435 5.830 -4.921 763 1HG GLU 98 HG2 GLU 98 -17.127 4.798 -6.353 764 2HG GLU 98 HG1 GLU 98 -18.393 5.413 -5.293 765 H PHE 99 HN PHE 99 -14.388 4.073 -5.302 766 HA PHE 99 HA PHE 99 -15.408 2.015 -6.942 767 1HB PHE 99 HB2 PHE 99 -12.647 3.154 -6.604 768 2HB PHE 99 HB1 PHE 99 -12.970 1.820 -7.701 769 HD1 PHE 99 HD1 PHE 99 -12.800 2.627 -9.844 770 HD2 PHE 99 HD2 PHE 99 -14.929 4.909 -6.948 771 HE1 PHE 99 HE1 PHE 99 -13.474 4.218 -11.594 772 HE2 PHE 99 HE2 PHE 99 -15.606 6.500 -8.694 773 HZ PHE 99 HZ PHE 99 -14.879 6.157 -11.021 774 H HIS 100 HN HIS 100 -14.448 1.718 -3.774 775 HA HIS 100 HA HIS 100 -12.816 -0.498 -3.674 776 1HB HIS 100 HB2 HIS 100 -13.369 -0.665 -1.466 777 2HB HIS 100 HB1 HIS 100 -14.087 0.907 -1.768 778 HD1 HIS 100 HD1 HIS 100 -16.770 0.737 -2.428 779 HD2 HIS 100 HD2 HIS 100 -15.071 -2.416 -0.328 780 HE1 HIS 100 HE1 HIS 100 -18.703 -0.513 -1.405 781 HE2 HIS 100 HE2 HIS 100 -17.642 -2.359 -0.064 782 H GLN 101 HN GLN 101 -16.073 -0.251 -4.781 783 HA GLN 101 HA GLN 101 -17.155 -2.742 -4.506 784 1HB GLN 101 HB2 GLN 101 -17.241 -1.485 -7.226 785 2HB GLN 101 HB1 GLN 101 -18.516 -2.309 -6.351 786 1HG GLN 101 HG2 GLN 101 -17.473 0.459 -5.823 787 2HG GLN 101 HG1 GLN 101 -19.011 0.032 -6.559 788 H LEU 102 HN LEU 102 -15.346 -1.766 -7.409 789 HA LEU 102 HA LEU 102 -14.025 -4.381 -7.469 790 1HB LEU 102 HB2 LEU 102 -15.567 -3.203 -9.784 791 2HB LEU 102 HB1 LEU 102 -14.494 -4.582 -9.907 792 HG LEU 102 HG LEU 102 -16.731 -5.395 -9.853 793 1HD1 LEU 102 1HD1 LEU 102 -16.253 -6.061 -7.074 794 2HD1 LEU 102 2HD1 LEU 102 -14.794 -6.189 -8.058 795 3HD1 LEU 102 3HD1 LEU 102 -16.243 -7.089 -8.506 796 1HD2 LEU 102 1HD2 LEU 102 -17.557 -4.575 -7.214 797 2HD2 LEU 102 2HD2 LEU 102 -18.399 -4.426 -8.757 798 3HD2 LEU 102 3HD2 LEU 102 -17.257 -3.181 -8.251 799 H ASN 103 HN ASN 103 -12.775 -2.037 -6.726 800 HA ASN 103 HA ASN 103 -11.532 -0.765 -8.982 801 1HB ASN 103 HB2 ASN 103 -11.852 0.422 -6.837 802 2HB ASN 103 HB1 ASN 103 -10.732 -0.695 -6.062 803 1HD2 ASN 103 1HD2 ASN 103 -8.737 0.000 -5.882 804 2HD2 ASN 103 2HD2 ASN 103 -7.967 1.174 -6.887 805 H ARG 104 HN ARG 104 -9.289 -0.869 -9.534 806 HA ARG 104 HA ARG 104 -8.275 -3.518 -9.625 807 1HB ARG 104 HB2 ARG 104 -7.040 -0.865 -10.365 808 2HB ARG 104 HB1 ARG 104 -6.232 -2.405 -10.618 809 1HG ARG 104 HG2 ARG 104 -7.267 -1.651 -12.665 810 2HG ARG 104 HG1 ARG 104 -8.061 -3.115 -12.087 811 1HD ARG 104 HD2 ARG 104 -9.908 -1.839 -11.226 812 2HD ARG 104 HD1 ARG 104 -9.090 -0.323 -11.602 813 HE ARG 104 HE ARG 104 -10.668 -1.870 -13.363 814 1HH1 ARG 104 HH11 ARG 104 -7.785 0.098 -13.281 815 2HH1 ARG 104 HH12 ARG 104 -7.859 0.496 -14.964 816 1HH2 ARG 104 HH21 ARG 104 -10.768 -1.340 -15.575 817 2HH2 ARG 104 HH22 ARG 104 -9.553 -0.317 -16.265 818 H GLY 105 HN GLY 105 -7.998 -4.230 -7.492 819 1HA GLY 105 HA2 GLY 105 -6.389 -2.775 -5.621 820 2HA GLY 105 HA1 GLY 105 -6.990 -4.413 -5.425 821 H ILE 106 HN ILE 106 -5.775 -6.157 -6.339 822 HA ILE 106 HA ILE 106 -2.906 -5.618 -6.287 823 HB ILE 106 HB ILE 106 -3.904 -7.379 -4.856 824 1HG1 ILE 106 2HG1 ILE 106 -1.497 -7.406 -5.883 825 2HG1 ILE 106 1HG1 ILE 106 -2.098 -8.812 -5.020 826 1HG2 ILE 106 1HG2 ILE 106 -4.236 -9.565 -6.446 827 2HG2 ILE 106 2HG2 ILE 106 -4.918 -8.286 -7.444 828 3HG2 ILE 106 3HG2 ILE 106 -5.538 -8.558 -5.821 829 1HD1 ILE 106 1HD1 ILE 106 -0.931 -8.847 -7.465 830 2HD1 ILE 106 2HD1 ILE 106 -2.644 -8.864 -7.886 831 3HD1 ILE 106 3HD1 ILE 106 -1.984 -10.106 -6.826 832 H LEU 107 HN LEU 107 -1.441 -6.636 -7.775 833 HA LEU 107 HA LEU 107 -1.544 -6.047 -10.352 834 1HB LEU 107 HB2 LEU 107 -0.387 -8.530 -9.133 835 2HB LEU 107 HB1 LEU 107 -0.161 -8.133 -10.824 836 HG LEU 107 HG LEU 107 0.923 -6.017 -10.135 837 1HD1 LEU 107 1HD1 LEU 107 0.392 -7.118 -7.410 838 2HD1 LEU 107 2HD1 LEU 107 0.124 -5.489 -8.034 839 3HD1 LEU 107 3HD1 LEU 107 1.763 -6.050 -7.710 840 1HD2 LEU 107 1HD2 LEU 107 2.985 -7.142 -9.199 841 2HD2 LEU 107 2HD2 LEU 107 2.356 -7.804 -10.708 842 3HD2 LEU 107 3HD2 LEU 107 2.046 -8.634 -9.183 843 HA PRO 108 HA PRO 108 -4.053 -9.332 -12.393 844 1HB PRO 108 HB2 PRO 108 -3.413 -11.877 -12.421 845 2HB PRO 108 HB1 PRO 108 -2.253 -10.681 -13.018 846 1HG PRO 108 HG2 PRO 108 -2.323 -12.098 -10.382 847 2HG PRO 108 HG1 PRO 108 -0.936 -11.753 -11.429 848 1HD PRO 108 HD2 PRO 108 -1.727 -10.231 -9.222 849 2HD PRO 108 HD1 PRO 108 -0.633 -9.714 -10.515 850 H CYS 109 HN CYS 109 -3.565 -11.073 -9.286 851 HA CYS 109 HA CYS 109 -5.891 -12.568 -9.305 852 1HB CYS 109 HB2 CYS 109 -4.660 -11.397 -6.804 853 2HB CYS 109 HB1 CYS 109 -5.610 -12.868 -6.944 854 HG CYS 109 HG CYS 109 -3.648 -14.456 -7.360 855 H LEU 110 HN LEU 110 -7.248 -11.920 -6.906 856 HA LEU 110 HA LEU 110 -9.431 -10.557 -7.706 857 1HB LEU 110 HB2 LEU 110 -8.201 -10.692 -4.967 858 2HB LEU 110 HB1 LEU 110 -9.741 -9.905 -5.249 859 HG LEU 110 HG LEU 110 -10.130 -12.132 -4.430 860 1HD1 LEU 110 1HD1 LEU 110 -10.702 -12.294 -7.369 861 2HD1 LEU 110 2HD1 LEU 110 -11.527 -11.134 -6.326 862 3HD1 LEU 110 3HD1 LEU 110 -11.677 -12.863 -6.013 863 1HD2 LEU 110 1HD2 LEU 110 -9.253 -14.094 -5.346 864 2HD2 LEU 110 2HD2 LEU 110 -7.884 -12.983 -5.310 865 3HD2 LEU 110 3HD2 LEU 110 -8.736 -13.283 -6.824 866 H LEU 111 HN LEU 111 -10.295 -8.409 -6.969 867 HA LEU 111 HA LEU 111 -8.217 -6.348 -6.940 868 1HB LEU 111 HB2 LEU 111 -9.430 -5.014 -8.595 869 2HB LEU 111 HB1 LEU 111 -8.870 -6.535 -9.244 870 HG LEU 111 HG LEU 111 -11.064 -6.015 -10.109 871 1HD1 LEU 111 1HD1 LEU 111 -10.326 -8.408 -9.164 872 2HD1 LEU 111 2HD1 LEU 111 -11.856 -8.115 -9.990 873 3HD1 LEU 111 3HD1 LEU 111 -11.800 -8.159 -8.228 874 1HD2 LEU 111 1HD2 LEU 111 -12.452 -6.331 -7.532 875 2HD2 LEU 111 2HD2 LEU 111 -12.839 -5.314 -8.917 876 3HD2 LEU 111 3HD2 LEU 111 -11.598 -4.808 -7.772 877 H ARG 112 HN ARG 112 -11.357 -7.398 -5.946 878 HA ARG 112 HA ARG 112 -12.363 -4.929 -4.998 879 1HB ARG 112 HB2 ARG 112 -12.978 -7.722 -4.013 880 2HB ARG 112 HB1 ARG 112 -13.948 -6.285 -3.719 881 1HG ARG 112 HG2 ARG 112 -14.354 -6.092 -6.136 882 2HG ARG 112 HG1 ARG 112 -13.435 -7.577 -6.389 883 1HD ARG 112 HD2 ARG 112 -15.830 -8.026 -6.366 884 2HD ARG 112 HD1 ARG 112 -15.026 -8.805 -5.005 885 HE ARG 112 HE ARG 112 -15.955 -6.305 -4.165 886 1HH1 ARG 112 HH11 ARG 112 -17.222 -9.390 -5.194 887 2HH1 ARG 112 HH12 ARG 112 -18.672 -9.248 -4.258 888 1HH2 ARG 112 HH21 ARG 112 -17.863 -6.116 -2.933 889 2HH2 ARG 112 HH22 ARG 112 -19.037 -7.390 -2.975 890 H HIS 113 HN HIS 113 -12.272 -3.960 -2.989 891 HA HIS 113 HA HIS 113 -10.808 -5.252 -0.840 892 1HB HIS 113 HB2 HIS 113 -9.268 -3.293 -0.574 893 2HB HIS 113 HB1 HIS 113 -8.970 -4.263 -2.016 894 HD1 HIS 113 HD1 HIS 113 -7.739 -1.827 -2.564 895 HD2 HIS 113 HD2 HIS 113 -11.879 -2.030 -2.801 896 HE1 HIS 113 HE1 HIS 113 -8.429 0.152 -3.949 897 HE2 HIS 113 HE2 HIS 113 -10.944 0.050 -4.020 898 H CYS 114 HN CYS 114 -11.047 -4.213 1.219 899 HA CYS 114 HA CYS 114 -12.994 -2.029 1.323 900 1HB CYS 114 HB2 CYS 114 -14.314 -4.071 1.499 901 2HB CYS 114 HB1 CYS 114 -13.292 -4.642 2.817 902 HG CYS 114 HG CYS 114 -15.858 -3.749 3.718 903 H CYS 115 HN CYS 115 -11.719 -4.182 3.851 904 HA CYS 115 HA CYS 115 -10.189 -1.930 4.969 905 1HB CYS 115 HB2 CYS 115 -12.523 -2.323 6.032 906 2HB CYS 115 HB1 CYS 115 -11.804 -3.768 6.730 907 HG CYS 115 HG CYS 115 -11.308 -2.389 8.859 908 H THR 116 HN THR 116 -8.970 -3.023 7.090 909 HA THR 116 HA THR 116 -7.490 -5.272 5.932 910 HB THR 116 HB THR 116 -6.769 -3.459 8.244 911 HG1 THR 116 HG1 THR 116 -6.818 -2.534 6.063 912 1HG2 THR 116 1HG2 THR 116 -5.091 -5.474 6.771 913 2HG2 THR 116 2HG2 THR 116 -5.619 -5.573 8.450 914 3HG2 THR 116 3HG2 THR 116 -4.495 -4.309 7.951 915 H ARG 117 HN ARG 117 -6.745 -7.012 7.389 916 HA ARG 117 HA ARG 117 -8.724 -7.547 9.512 917 1HB ARG 117 HB2 ARG 117 -9.012 -9.049 7.601 918 2HB ARG 117 HB1 ARG 117 -7.322 -9.523 7.701 919 1HG ARG 117 HG2 ARG 117 -8.766 -11.218 8.666 920 2HG ARG 117 HG1 ARG 117 -7.722 -10.509 9.898 921 1HD ARG 117 HD2 ARG 117 -9.565 -9.068 10.623 922 2HD ARG 117 HD1 ARG 117 -10.607 -9.784 9.394 923 HE ARG 117 HE ARG 117 -9.589 -11.842 10.991 924 1HH1 ARG 117 HH11 ARG 117 -11.753 -9.115 11.248 925 2HH1 ARG 117 HH12 ARG 117 -12.718 -9.839 12.490 926 1HH2 ARG 117 HH21 ARG 117 -10.857 -12.795 12.625 927 2HH2 ARG 117 HH22 ARG 117 -12.209 -11.928 13.273 928 H VAL 118 HN VAL 118 -7.140 -6.356 10.862 929 HA VAL 118 HA VAL 118 -5.324 -8.252 12.095 930 HB VAL 118 HB VAL 118 -3.514 -6.429 12.192 931 1HG1 VAL 118 1HG1 VAL 118 -2.394 -7.584 10.601 932 2HG1 VAL 118 2HG1 VAL 118 -3.678 -7.391 9.407 933 3HG1 VAL 118 3HG1 VAL 118 -3.817 -8.623 10.661 934 1HG2 VAL 118 1HG2 VAL 118 -3.824 -5.317 9.682 935 2HG2 VAL 118 2HG2 VAL 118 -4.052 -4.490 11.223 936 3HG2 VAL 118 3HG2 VAL 118 -5.435 -5.197 10.389 937 H ALA 119 HN ALA 119 -5.788 -4.710 12.274 938 HA ALA 119 HA ALA 119 -5.702 -4.687 15.103 939 1HB ALA 119 HB1 ALA 119 -6.990 -2.470 13.584 940 2HB ALA 119 HB2 ALA 119 -5.272 -2.788 13.345 941 3HB ALA 119 HB3 ALA 119 -5.882 -2.404 14.953 942 H LEU 120 HN LEU 120 -7.749 -3.072 15.932 943 HA LEU 120 HA LEU 120 -9.798 -4.888 16.489 944 1HB LEU 120 HB2 LEU 120 -9.880 -1.872 16.607 945 2HB LEU 120 HB1 LEU 120 -11.027 -2.950 17.380 946 HG LEU 120 HG LEU 120 -8.090 -2.723 18.042 947 1HD1 LEU 120 1HD1 LEU 120 -8.662 -1.498 19.896 948 2HD1 LEU 120 2HD1 LEU 120 -10.317 -2.108 19.924 949 3HD1 LEU 120 3HD1 LEU 120 -9.841 -0.904 18.726 950 1HD2 LEU 120 1HD2 LEU 120 -8.642 -4.226 19.917 951 2HD2 LEU 120 2HD2 LEU 120 -8.849 -4.999 18.344 952 3HD2 LEU 120 3HD2 LEU 120 -10.258 -4.439 19.244 953 HA PRO1135 HA PRO1135 13.591 -10.302 -9.587 954 1HB PRO1135 HB2 PRO1135 11.506 -10.875 -7.534 955 2HB PRO1135 HB1 PRO1135 11.323 -10.544 -9.260 956 1HG PRO1135 HG2 PRO1135 11.079 -13.023 -8.323 957 2HG PRO1135 HG1 PRO1135 11.885 -12.710 -9.871 958 1HD PRO1135 HD2 PRO1135 13.068 -13.403 -7.223 959 2HD PRO1135 HD1 PRO1135 13.606 -13.851 -8.853 960 H GLN1136 HN GLN1136 14.963 -8.702 -8.837 961 HA GLN1136 HA GLN1136 15.291 -7.909 -6.182 962 1HB GLN1136 HB2 GLN1136 15.561 -6.243 -8.689 963 2HB GLN1136 HB1 GLN1136 16.182 -5.799 -7.106 964 1HG GLN1136 HG2 GLN1136 17.655 -7.739 -7.132 965 2HG GLN1136 HG1 GLN1136 17.025 -8.200 -8.714 966 HA PRO1137 HA PRO1137 11.839 -4.482 -7.401 967 1HB PRO1137 HB2 PRO1137 10.146 -6.584 -8.694 968 2HB PRO1137 HB1 PRO1137 10.225 -4.848 -9.021 969 1HG PRO1137 HG2 PRO1137 11.421 -6.572 -10.647 970 2HG PRO1137 HG1 PRO1137 12.199 -5.032 -10.233 971 1HD PRO1137 HD2 PRO1137 12.820 -7.786 -9.286 972 2HD PRO1137 HD1 PRO1137 13.907 -6.410 -9.553 973 H GLU1138 HN GLU1138 11.134 -4.276 -5.364 974 HA GLU1138 HA GLU1138 9.447 -6.423 -4.276 975 1HB GLU1138 HB2 GLU1138 10.341 -5.560 -1.989 976 2HB GLU1138 HB1 GLU1138 11.305 -6.677 -2.938 977 1HG GLU1138 HG2 GLU1138 12.691 -4.936 -2.015 978 2HG GLU1138 HG1 GLU1138 12.644 -4.808 -3.771 979 2HN PTR1139 HN PTR1139 9.398 -3.321 -5.349 980 2HN PTR1139 HN PTR1139 9.398 -3.321 -5.349 981 HA PTR1139 HA PTR1139 7.365 -2.522 -3.413 982 HA PTR1139 HA PTR1139 7.365 -2.522 -3.413 983 1HB PTR1139 HB1 PTR1139 7.891 -0.234 -4.763 984 1HB PTR1139 HB1 PTR1139 7.891 -0.234 -4.763 985 2HB PTR1139 HB2 PTR1139 9.465 -1.033 -4.755 986 2HB PTR1139 HB2 PTR1139 9.465 -1.033 -4.755 987 HD1 PTR1139 HD1 PTR1139 6.624 -0.299 -2.475 988 HD1 PTR1139 HD1 PTR1139 6.624 -0.299 -2.475 989 HD2 PTR1139 HD2 PTR1139 10.819 -0.720 -2.908 990 HD2 PTR1139 HD2 PTR1139 10.819 -0.720 -2.908 991 HE1 PTR1139 HE1 PTR1139 6.912 0.401 -0.146 992 HE1 PTR1139 HE1 PTR1139 6.912 0.401 -0.146 993 HE2 PTR1139 HE2 PTR1139 11.137 -0.012 -0.535 994 HE2 PTR1139 HE2 PTR1139 11.137 -0.012 -0.535 995 H VAL1140 HN VAL1140 8.063 -2.246 -6.856 996 HA VAL1140 HA VAL1140 6.569 -2.777 -8.594 997 HB VAL1140 HB VAL1140 4.276 -2.310 -6.665 998 1HG1 VAL1140 1HG1 VAL1140 3.046 -3.666 -8.413 999 2HG1 VAL1140 2HG1 VAL1140 4.450 -3.425 -9.452 1000 3HG1 VAL1140 3HG1 VAL1140 3.524 -2.035 -8.885 1001 1HG2 VAL1140 1HG2 VAL1140 4.726 -5.067 -7.507 1002 2HG2 VAL1140 2HG2 VAL1140 4.411 -4.412 -5.900 1003 3HG2 VAL1140 3HG2 VAL1140 6.054 -4.420 -6.543 1004 H ASN1141 HN ASN1141 5.407 -1.626 -9.972 1005 HA ASN1141 HA ASN1141 4.462 0.313 -10.930 1006 1HB ASN1141 HB2 ASN1141 5.984 1.875 -8.800 1007 2HB ASN1141 HB1 ASN1141 4.888 2.525 -10.009 1008 1HD2 ASN1141 1HD2 ASN1141 5.131 2.000 -6.877 1009 2HD2 ASN1141 2HD2 ASN1141 3.479 1.738 -6.471 1010 H GLN1142 HN GLN1142 7.407 -0.317 -9.324 1011 HA GLN1142 HA GLN1142 8.969 -0.655 -11.600 1012 1HB GLN1142 HB2 GLN1142 9.506 1.705 -9.794 1013 2HB GLN1142 HB1 GLN1142 10.733 1.025 -10.836 1014 1HG GLN1142 HG2 GLN1142 10.084 2.507 -12.358 1015 2HG GLN1142 HG1 GLN1142 8.647 1.513 -12.569 1016 HA PRO1143 HA PRO1143 11.295 -3.249 -8.829 1017 1HB PRO1143 HB2 PRO1143 13.572 -1.299 -8.801 1018 2HB PRO1143 HB1 PRO1143 13.605 -3.053 -9.030 1019 1HG PRO1143 HG2 PRO1143 13.886 -1.410 -11.109 1020 2HG PRO1143 HG1 PRO1143 12.951 -2.909 -11.253 1021 1HD PRO1143 HD2 PRO1143 12.006 -0.094 -11.081 1022 2HD PRO1143 HD1 PRO1143 11.285 -1.476 -11.929 1023 H ASP1144 HN ASP1144 11.207 0.186 -8.336 1024 HA ASP1144 HA ASP1144 9.866 0.388 -6.078 1025 1HB ASP1144 HB2 ASP1144 11.540 0.642 -4.230 1026 2HB ASP1144 HB1 ASP1144 11.422 -1.005 -4.830
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