NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
22217 | 2jmx | 15072 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H PHE 1 1H PHE 1 -20.082 -27.334 -20.288 2 2H PHE 1 2H PHE 1 -19.632 -26.625 -21.766 3 3H PHE 1 3H PHE 1 -20.749 -27.906 -21.739 4 HA PHE 1 HA PHE 1 -21.190 -25.181 -20.622 5 1HB PHE 1 1HB PHE 1 -21.115 -25.924 -23.206 6 2HB PHE 1 2HB PHE 1 -22.762 -26.432 -22.831 7 HD1 PHE 1 HD1 PHE 1 -24.013 -24.598 -21.209 8 HD2 PHE 1 HD2 PHE 1 -20.925 -23.779 -24.081 9 HE1 PHE 1 HE1 PHE 1 -24.777 -22.243 -21.358 10 HE2 PHE 1 HE2 PHE 1 -21.689 -21.424 -24.230 11 HZ PHE 1 HZ PHE 1 -23.614 -20.656 -22.869 12 H ALA 2 H ALA 2 -21.749 -26.528 -18.564 13 HA ALA 2 HA ALA 2 -24.602 -27.394 -18.753 14 1HB ALA 2 1HB ALA 2 -22.181 -28.932 -17.862 15 2HB ALA 2 2HB ALA 2 -23.550 -29.478 -18.832 16 3HB ALA 2 3HB ALA 2 -23.732 -29.261 -17.091 17 H LYS 3 H LYS 3 -21.963 -27.203 -16.272 18 HA LYS 3 HA LYS 3 -23.861 -25.618 -14.567 19 1HB LYS 3 1HB LYS 3 -21.871 -27.808 -14.074 20 2HB LYS 3 2HB LYS 3 -22.180 -26.646 -12.783 21 1HG LYS 3 1HG LYS 3 -24.637 -27.111 -13.040 22 2HG LYS 3 2HG LYS 3 -24.225 -28.392 -14.181 23 1HD LYS 3 1HD LYS 3 -22.747 -29.380 -12.363 24 2HD LYS 3 2HD LYS 3 -23.488 -28.229 -11.251 25 1HE LYS 3 1HE LYS 3 -25.642 -29.207 -11.492 26 2HE LYS 3 2HE LYS 3 -25.162 -30.092 -12.954 27 1HZ LYS 3 1HZ LYS 3 -24.022 -30.487 -10.237 28 2HZ LYS 3 2HZ LYS 3 -23.539 -31.314 -11.641 29 3HZ LYS 3 3HZ LYS 3 -25.102 -31.540 -11.013 30 H LEU 4 H LEU 4 -22.411 -24.320 -12.817 31 HA LEU 4 HA LEU 4 -19.956 -23.224 -14.119 32 1HB LEU 4 1HB LEU 4 -22.367 -22.041 -14.441 33 2HB LEU 4 2HB LEU 4 -21.887 -21.306 -12.911 34 HG LEU 4 HG LEU 4 -19.925 -21.411 -15.184 35 1HD1 LEU 4 1HD1 LEU 4 -20.869 -18.963 -15.563 36 2HD1 LEU 4 2HD1 LEU 4 -22.355 -19.675 -14.935 37 3HD1 LEU 4 3HD1 LEU 4 -21.602 -20.341 -16.384 38 1HD2 LEU 4 1HD2 LEU 4 -19.470 -20.669 -12.732 39 2HD2 LEU 4 2HD2 LEU 4 -20.380 -19.220 -13.160 40 3HD2 LEU 4 3HD2 LEU 4 -18.901 -19.622 -14.032 41 H VAL 5 H VAL 5 -18.360 -22.664 -12.572 42 HA VAL 5 HA VAL 5 -19.171 -22.928 -9.692 43 HB VAL 5 HB VAL 5 -16.521 -23.431 -11.095 44 1HG1 VAL 5 1HG1 VAL 5 -16.152 -24.643 -8.797 45 2HG1 VAL 5 2HG1 VAL 5 -17.417 -23.555 -8.227 46 3HG1 VAL 5 3HG1 VAL 5 -15.924 -22.897 -8.895 47 1HG2 VAL 5 1HG2 VAL 5 -18.684 -25.285 -10.054 48 2HG2 VAL 5 2HG2 VAL 5 -17.059 -25.830 -10.470 49 3HG2 VAL 5 3HG2 VAL 5 -18.104 -25.145 -11.714 50 H ARG 6 H ARG 6 -18.235 -21.362 -8.185 51 HA ARG 6 HA ARG 6 -16.767 -19.069 -9.420 52 1HB ARG 6 1HB ARG 6 -19.345 -19.038 -7.827 53 2HB ARG 6 2HB ARG 6 -18.374 -17.591 -8.106 54 1HG ARG 6 1HG ARG 6 -18.555 -17.985 -10.561 55 2HG ARG 6 2HG ARG 6 -19.617 -19.355 -10.236 56 1HD ARG 6 1HD ARG 6 -21.368 -17.993 -9.490 57 2HD ARG 6 2HD ARG 6 -20.276 -16.661 -9.059 58 HE ARG 6 HE ARG 6 -20.917 -17.440 -11.880 59 1HH1 ARG 6 1HH2 ARG 6 -18.646 -15.625 -10.346 60 2HH1 ARG 6 2HH2 ARG 6 -19.103 -14.099 -11.025 61 1HH2 ARG 6 1HH1 ARG 6 -22.063 -15.288 -12.384 62 2HH2 ARG 6 2HH1 ARG 6 -21.037 -13.908 -12.179 63 HA PRO 7 HA PRO 7 -14.967 -20.331 -5.361 64 1HB PRO 7 1HB PRO 7 -12.353 -19.978 -6.085 65 2HB PRO 7 2HB PRO 7 -13.243 -21.483 -6.389 66 1HG PRO 7 1HG PRO 7 -12.597 -19.257 -8.252 67 2HG PRO 7 2HG PRO 7 -12.631 -21.003 -8.545 68 1HD PRO 7 1HD PRO 7 -14.624 -19.295 -9.308 69 2HD PRO 7 2HD PRO 7 -14.877 -21.020 -8.961 70 HA PRO 8 HA PRO 8 -14.492 -16.097 -4.146 71 1HB PRO 8 1HB PRO 8 -13.189 -16.403 -1.758 72 2HB PRO 8 2HB PRO 8 -14.913 -16.766 -1.970 73 1HG PRO 8 1HG PRO 8 -12.587 -18.617 -1.880 74 2HG PRO 8 2HG PRO 8 -14.215 -18.816 -1.216 75 1HD PRO 8 1HD PRO 8 -13.374 -19.989 -3.533 76 2HD PRO 8 2HD PRO 8 -15.070 -19.580 -3.194 77 H VAL 9 H VAL 9 -12.471 -14.681 -3.077 78 HA VAL 9 HA VAL 9 -9.874 -15.603 -4.192 79 HB VAL 9 HB VAL 9 -9.677 -13.520 -5.532 80 1HG1 VAL 9 1HG1 VAL 9 -11.038 -14.259 -7.342 81 2HG1 VAL 9 2HG1 VAL 9 -12.239 -14.954 -6.254 82 3HG1 VAL 9 3HG1 VAL 9 -10.655 -15.712 -6.419 83 1HG2 VAL 9 1HG2 VAL 9 -12.057 -12.818 -4.032 84 2HG2 VAL 9 2HG2 VAL 9 -12.389 -12.724 -5.759 85 3HG2 VAL 9 3HG2 VAL 9 -11.059 -11.800 -5.064 86 H GLN 10 H GLN 10 -8.359 -15.143 -2.627 87 HA GLN 10 HA GLN 10 -8.100 -12.505 -1.431 88 1HB GLN 10 1HB GLN 10 -10.046 -14.183 -0.315 89 2HB GLN 10 2HB GLN 10 -8.665 -14.359 0.767 90 1HG GLN 10 1HG GLN 10 -8.744 -12.165 1.449 91 2HG GLN 10 2HG GLN 10 -9.345 -11.593 -0.108 92 1HE2 GLN 10 1HE2 GLN 10 -11.311 -10.535 0.519 93 2HE2 GLN 10 2HE2 GLN 10 -12.558 -11.322 1.360 94 H ILE 11 H ILE 11 -5.935 -12.304 -0.734 95 HA ILE 11 HA ILE 11 -3.725 -12.918 -0.214 96 HB ILE 11 HB ILE 11 -5.189 -15.339 0.867 97 1HG1 ILE 11 1HG1 ILE 11 -4.632 -13.932 3.042 98 2HG1 ILE 11 2HG1 ILE 11 -4.602 -12.587 1.901 99 1HG2 ILE 11 1HG2 ILE 11 -2.356 -14.434 0.943 100 2HG2 ILE 11 2HG2 ILE 11 -3.010 -16.071 0.972 101 3HG2 ILE 11 3HG2 ILE 11 -3.024 -15.091 2.438 102 1HD1 ILE 11 1HD1 ILE 11 -6.854 -12.802 1.376 103 2HD1 ILE 11 2HD1 ILE 11 -6.865 -13.282 3.073 104 3HD1 ILE 11 3HD1 ILE 11 -6.898 -14.511 1.808 105 H TYR 12 H TYR 12 -2.202 -13.580 -1.732 106 HA TYR 12 HA TYR 12 -2.679 -16.159 -3.173 107 1HB TYR 12 1HB TYR 12 -1.949 -13.580 -4.603 108 2HB TYR 12 2HB TYR 12 -2.538 -15.080 -5.313 109 HD1 TYR 12 HD1 TYR 12 -3.489 -12.175 -3.197 110 HD2 TYR 12 HD2 TYR 12 -4.910 -15.541 -5.458 111 HE1 TYR 12 HE1 TYR 12 -5.805 -11.385 -2.911 112 HE2 TYR 12 HE2 TYR 12 -7.235 -14.728 -5.188 113 HH TYR 12 HH TYR 12 -8.184 -12.014 -4.661 114 H GLY 13 H GLY 13 -0.355 -13.366 -3.156 115 1HA GLY 13 1HA GLY 13 1.830 -14.730 -2.035 116 2HA GLY 13 2HA GLY 13 1.902 -15.079 -3.761 117 H ILE 14 H ILE 14 2.465 -13.361 -5.226 118 HA ILE 14 HA ILE 14 4.269 -11.380 -4.347 119 HB ILE 14 HB ILE 14 3.948 -12.070 -6.707 120 1HG1 ILE 14 1HG1 ILE 14 4.127 -9.815 -7.735 121 2HG1 ILE 14 2HG1 ILE 14 3.535 -9.097 -6.238 122 1HG2 ILE 14 1HG2 ILE 14 1.528 -10.269 -6.804 123 2HG2 ILE 14 2HG2 ILE 14 1.368 -11.989 -6.455 124 3HG2 ILE 14 3HG2 ILE 14 2.058 -11.462 -7.989 125 1HD1 ILE 14 1HD1 ILE 14 5.528 -9.374 -5.165 126 2HD1 ILE 14 2HD1 ILE 14 6.180 -9.459 -6.802 127 3HD1 ILE 14 3HD1 ILE 14 5.827 -10.942 -5.916 128 H GLU 15 H GLU 15 0.703 -11.105 -4.592 129 HA GLU 15 HA GLU 15 0.663 -8.249 -3.972 130 1HB GLU 15 1HB GLU 15 -1.317 -10.494 -4.157 131 2HB GLU 15 2HB GLU 15 -1.806 -9.039 -3.288 132 1HG GLU 15 1HG GLU 15 -0.865 -7.772 -5.368 133 2HG GLU 15 2HG GLU 15 -1.018 -9.331 -6.179 134 H GLY 16 H GLY 16 0.415 -11.259 -2.010 135 1HA GLY 16 1HA GLY 16 -0.123 -9.879 0.472 136 2HA GLY 16 2HA GLY 16 0.480 -11.533 0.323 137 H ARG 17 H ARG 17 2.878 -11.039 -1.133 138 HA ARG 17 HA ARG 17 4.718 -10.350 0.954 139 1HB ARG 17 1HB ARG 17 4.880 -10.577 -2.049 140 2HB ARG 17 2HB ARG 17 6.284 -10.029 -1.132 141 1HG ARG 17 1HG ARG 17 4.830 -12.498 -0.240 142 2HG ARG 17 2HG ARG 17 5.946 -12.603 -1.602 143 1HD ARG 17 1HD ARG 17 7.778 -12.379 -0.259 144 2HD ARG 17 2HD ARG 17 7.014 -11.107 0.716 145 HE ARG 17 HE ARG 17 6.233 -12.785 2.186 146 1HH1 ARG 17 1HH1 ARG 17 8.395 -14.281 0.244 147 2HH1 ARG 17 2HH1 ARG 17 7.642 -15.841 0.237 148 1HH2 ARG 17 1HH2 ARG 17 4.709 -14.723 1.711 149 2HH2 ARG 17 2HH2 ARG 17 5.555 -16.091 1.068 150 H TYR 18 H TYR 18 3.030 -8.243 -1.375 151 HA TYR 18 HA TYR 18 4.774 -5.963 -1.166 152 1HB TYR 18 1HB TYR 18 1.898 -6.467 -1.858 153 2HB TYR 18 2HB TYR 18 2.360 -4.804 -1.513 154 HD1 TYR 18 HD1 TYR 18 4.326 -7.531 -3.179 155 HD2 TYR 18 HD2 TYR 18 2.383 -3.720 -3.589 156 HE1 TYR 18 HE1 TYR 18 5.230 -7.316 -5.478 157 HE2 TYR 18 HE2 TYR 18 3.293 -3.504 -5.884 158 HH TYR 18 HH TYR 18 5.581 -4.680 -7.073 159 H ALA 19 H ALA 19 1.914 -6.918 0.798 160 HA ALA 19 HA ALA 19 2.238 -4.635 2.619 161 1HB ALA 19 1HB ALA 19 0.658 -6.302 4.004 162 2HB ALA 19 2HB ALA 19 0.518 -7.085 2.430 163 3HB ALA 19 3HB ALA 19 0.041 -5.398 2.621 164 H THR 20 H THR 20 3.167 -8.107 2.666 165 HA THR 20 HA THR 20 4.225 -7.940 5.375 166 HB THR 20 HB THR 20 5.422 -10.139 4.208 167 HG1 THR 20 HG1 THR 20 3.858 -10.968 2.804 168 1HG2 THR 20 1HG2 THR 20 4.166 -10.241 6.261 169 2HG2 THR 20 2HG2 THR 20 3.390 -11.350 5.130 170 3HG2 THR 20 3HG2 THR 20 2.678 -9.764 5.440 171 H ALA 21 H ALA 21 5.610 -7.288 2.166 172 HA ALA 21 HA ALA 21 8.357 -7.316 3.237 173 1HB ALA 21 1HB ALA 21 8.098 -7.839 0.909 174 2HB ALA 21 2HB ALA 21 8.800 -6.222 0.945 175 3HB ALA 21 3HB ALA 21 7.076 -6.428 0.635 176 H LEU 22 H LEU 22 5.720 -5.000 3.161 177 HA LEU 22 HA LEU 22 7.631 -2.749 3.678 178 1HB LEU 22 1HB LEU 22 5.790 -2.417 2.038 179 2HB LEU 22 2HB LEU 22 4.614 -2.823 3.288 180 HG LEU 22 HG LEU 22 6.070 -0.863 4.542 181 1HD1 LEU 22 1HD1 LEU 22 7.370 0.054 2.901 182 2HD1 LEU 22 2HD1 LEU 22 5.882 0.921 2.521 183 3HD1 LEU 22 3HD1 LEU 22 6.322 -0.519 1.604 184 1HD2 LEU 22 1HD2 LEU 22 4.098 0.620 3.428 185 2HD2 LEU 22 2HD2 LEU 22 3.809 -0.541 4.724 186 3HD2 LEU 22 3HD2 LEU 22 3.504 -0.997 3.048 187 H TYR 23 H TYR 23 4.839 -4.478 5.143 188 HA TYR 23 HA TYR 23 5.166 -3.019 7.644 189 1HB TYR 23 1HB TYR 23 3.069 -3.783 7.959 190 2HB TYR 23 2HB TYR 23 3.164 -4.561 6.392 191 HD1 TYR 23 HD1 TYR 23 2.870 -6.855 6.247 192 HD2 TYR 23 HD2 TYR 23 4.105 -5.121 9.960 193 HE1 TYR 23 HE1 TYR 23 2.744 -9.062 7.309 194 HE2 TYR 23 HE2 TYR 23 3.945 -7.324 11.062 195 HH TYR 23 HH TYR 23 4.138 -9.949 9.930 196 H SER 24 H SER 24 6.801 -5.789 6.210 197 HA SER 24 HA SER 24 7.467 -7.350 8.495 198 1HB SER 24 1HB SER 24 9.782 -7.458 7.177 199 2HB SER 24 2HB SER 24 8.330 -8.179 6.489 200 HG SER 24 HG SER 24 9.543 -6.734 5.074 201 H ALA 25 H ALA 25 8.841 -4.229 7.381 202 HA ALA 25 HA ALA 25 10.732 -4.027 9.623 203 1HB ALA 25 1HB ALA 25 11.244 -2.783 7.623 204 2HB ALA 25 2HB ALA 25 10.744 -1.576 8.808 205 3HB ALA 25 3HB ALA 25 9.619 -2.100 7.555 206 H ALA 26 H ALA 26 7.451 -2.789 8.812 207 HA ALA 26 HA ALA 26 6.987 -1.173 11.122 208 1HB ALA 26 1HB ALA 26 4.597 -1.614 10.641 209 2HB ALA 26 2HB ALA 26 5.048 -2.988 9.634 210 3HB ALA 26 3HB ALA 26 5.486 -1.353 9.142 211 H SER 27 H SER 27 6.621 -4.731 10.709 212 HA SER 27 HA SER 27 5.374 -5.377 13.197 213 1HB SER 27 1HB SER 27 5.952 -6.928 11.265 214 2HB SER 27 2HB SER 27 7.613 -6.935 11.849 215 HG SER 27 HG SER 27 6.929 -7.881 13.733 216 H LYS 28 H LYS 28 8.846 -4.788 12.467 217 HA LYS 28 HA LYS 28 9.728 -5.345 15.206 218 1HB LYS 28 1HB LYS 28 11.046 -5.338 12.934 219 2HB LYS 28 2HB LYS 28 11.209 -3.607 13.231 220 1HG LYS 28 1HG LYS 28 11.994 -4.348 15.614 221 2HG LYS 28 2HG LYS 28 12.288 -5.907 14.841 222 1HD LYS 28 1HD LYS 28 13.635 -4.680 13.088 223 2HD LYS 28 2HD LYS 28 13.490 -3.232 14.085 224 1HE LYS 28 1HE LYS 28 14.837 -4.106 15.787 225 2HE LYS 28 2HE LYS 28 14.505 -5.786 15.320 226 1HZ LYS 28 1HZ LYS 28 16.725 -4.966 14.596 227 2HZ LYS 28 2HZ LYS 28 15.939 -3.840 13.596 228 3HZ LYS 28 3HZ LYS 28 15.745 -5.505 13.321 229 H GLN 29 H GLN 29 8.788 -2.390 13.390 230 HA GLN 29 HA GLN 29 9.417 -0.690 15.741 231 1HB GLN 29 1HB GLN 29 8.216 -0.063 13.024 232 2HB GLN 29 2HB GLN 29 8.737 1.136 14.209 233 1HG GLN 29 1HG GLN 29 11.018 -0.146 14.121 234 2HG GLN 29 2HG GLN 29 10.410 -0.761 12.583 235 1HE2 GLN 29 1HE2 GLN 29 12.062 0.534 11.383 236 2HE2 GLN 29 2HE2 GLN 29 11.874 2.213 11.229 237 H ASN 30 H ASN 30 6.839 -2.729 15.197 238 HA ASN 30 HA ASN 30 4.674 -2.807 16.083 239 1HB ASN 30 1HB ASN 30 6.167 -1.569 17.927 240 2HB ASN 30 2HB ASN 30 5.128 -0.208 17.500 241 1HD2 ASN 30 1HD2 ASN 30 3.034 -0.178 18.451 242 2HD2 ASN 30 2HD2 ASN 30 2.351 -1.502 19.266 243 H LYS 31 H LYS 31 5.015 -1.592 13.500 244 HA LYS 31 HA LYS 31 3.142 0.740 13.603 245 1HB LYS 31 1HB LYS 31 5.373 -0.168 11.890 246 2HB LYS 31 2HB LYS 31 4.012 0.531 11.013 247 1HG LYS 31 1HG LYS 31 5.569 2.312 11.585 248 2HG LYS 31 2HG LYS 31 4.104 2.509 12.546 249 1HD LYS 31 1HD LYS 31 5.238 1.270 14.414 250 2HD LYS 31 2HD LYS 31 6.721 1.283 13.459 251 1HE LYS 31 1HE LYS 31 6.057 3.922 13.339 252 2HE LYS 31 2HE LYS 31 5.424 3.499 14.942 253 1HZ LYS 31 1HZ LYS 31 8.165 3.026 13.907 254 2HZ LYS 31 2HZ LYS 31 7.573 2.324 15.336 255 3HZ LYS 31 3HZ LYS 31 7.717 4.012 15.211 256 H LEU 32 H LEU 32 2.734 -2.559 13.371 257 HA LEU 32 HA LEU 32 1.285 -3.195 11.051 258 1HB LEU 32 1HB LEU 32 1.119 -3.943 13.957 259 2HB LEU 32 2HB LEU 32 -0.173 -4.497 12.895 260 HG LEU 32 HG LEU 32 1.771 -6.116 13.156 261 1HD1 LEU 32 1HD1 LEU 32 1.608 -5.270 10.287 262 2HD1 LEU 32 2HD1 LEU 32 0.133 -5.767 11.115 263 3HD1 LEU 32 3HD1 LEU 32 1.486 -6.884 10.989 264 1HD2 LEU 32 1HD2 LEU 32 3.814 -5.624 11.864 265 2HD2 LEU 32 2HD2 LEU 32 3.597 -4.472 13.163 266 3HD2 LEU 32 3HD2 LEU 32 3.206 -4.015 11.505 267 H GLU 33 H GLU 33 0.179 -1.250 13.850 268 HA GLU 33 HA GLU 33 -2.548 -0.936 12.763 269 1HB GLU 33 1HB GLU 33 -1.604 -0.736 15.241 270 2HB GLU 33 2HB GLU 33 -1.289 0.933 14.765 271 1HG GLU 33 1HG GLU 33 -3.445 1.218 15.496 272 2HG GLU 33 2HG GLU 33 -3.814 0.696 13.852 273 H GLN 34 H GLN 34 0.481 0.995 12.892 274 HA GLN 34 HA GLN 34 -0.540 3.330 11.527 275 1HB GLN 34 1HB GLN 34 2.246 2.143 11.703 276 2HB GLN 34 2HB GLN 34 1.891 3.764 11.106 277 1HG GLN 34 1HG GLN 34 0.538 3.749 13.500 278 2HG GLN 34 2HG GLN 34 1.941 2.749 13.877 279 1HE2 GLN 34 1HE2 GLN 34 1.465 5.750 11.866 280 2HE2 GLN 34 2HE2 GLN 34 2.752 6.588 12.589 281 H VAL 35 H VAL 35 0.597 0.180 10.303 282 HA VAL 35 HA VAL 35 0.527 1.269 7.526 283 HB VAL 35 HB VAL 35 1.222 -1.582 8.181 284 1HG1 VAL 35 1HG1 VAL 35 2.286 0.487 6.248 285 2HG1 VAL 35 2HG1 VAL 35 1.226 -0.870 5.864 286 3HG1 VAL 35 3HG1 VAL 35 2.888 -1.166 6.374 287 1HG2 VAL 35 1HG2 VAL 35 3.695 -0.378 8.319 288 2HG2 VAL 35 2HG2 VAL 35 2.783 -0.920 9.720 289 3HG2 VAL 35 3HG2 VAL 35 2.701 0.768 9.217 290 H GLU 36 H GLU 36 -1.091 -1.203 9.575 291 HA GLU 36 HA GLU 36 -2.734 -2.247 7.405 292 1HB GLU 36 1HB GLU 36 -2.152 -3.330 9.666 293 2HB GLU 36 2HB GLU 36 -3.406 -2.303 10.356 294 1HG GLU 36 1HG GLU 36 -4.098 -3.873 7.913 295 2HG GLU 36 2HG GLU 36 -3.957 -4.752 9.436 296 H LYS 37 H LYS 37 -3.152 0.465 9.700 297 HA LYS 37 HA LYS 37 -6.000 0.770 8.988 298 1HB LYS 37 1HB LYS 37 -4.537 1.403 11.181 299 2HB LYS 37 2HB LYS 37 -4.511 2.959 10.350 300 1HG LYS 37 1HG LYS 37 -6.467 3.087 11.651 301 2HG LYS 37 2HG LYS 37 -7.072 2.595 10.068 302 1HD LYS 37 1HD LYS 37 -8.131 1.022 11.393 303 2HD LYS 37 2HD LYS 37 -6.631 0.160 11.048 304 1HE LYS 37 1HE LYS 37 -5.765 0.538 13.187 305 2HE LYS 37 2HE LYS 37 -6.767 1.980 13.445 306 1HZ LYS 37 1HZ LYS 37 -7.592 -0.025 14.632 307 2HZ LYS 37 2HZ LYS 37 -7.855 -0.766 13.126 308 3HZ LYS 37 3HZ LYS 37 -8.719 0.634 13.549 309 H GLU 38 H GLU 38 -2.908 2.378 8.088 310 HA GLU 38 HA GLU 38 -4.291 4.486 6.583 311 1HB GLU 38 1HB GLU 38 -1.472 3.501 6.913 312 2HB GLU 38 2HB GLU 38 -1.848 4.592 5.583 313 1HG GLU 38 1HG GLU 38 -1.165 5.924 7.498 314 2HG GLU 38 2HG GLU 38 -2.890 6.167 7.225 315 H LEU 39 H LEU 39 -2.784 1.330 5.761 316 HA LEU 39 HA LEU 39 -3.059 1.495 2.908 317 1HB LEU 39 1HB LEU 39 -2.752 -0.635 4.957 318 2HB LEU 39 2HB LEU 39 -3.502 -1.160 3.452 319 HG LEU 39 HG LEU 39 -1.618 -0.114 2.196 320 1HD1 LEU 39 1HD1 LEU 39 0.276 0.773 3.303 321 2HD1 LEU 39 2HD1 LEU 39 -0.202 0.081 4.853 322 3HD1 LEU 39 3HD1 LEU 39 -1.092 1.449 4.186 323 1HD2 LEU 39 1HD2 LEU 39 -1.261 -2.397 2.412 324 2HD2 LEU 39 2HD2 LEU 39 -1.251 -2.332 4.174 325 3HD2 LEU 39 3HD2 LEU 39 0.156 -1.784 3.264 326 H LEU 40 H LEU 40 -5.430 0.547 5.440 327 HA LEU 40 HA LEU 40 -7.516 -0.426 3.753 328 1HB LEU 40 1HB LEU 40 -7.376 0.961 6.416 329 2HB LEU 40 2HB LEU 40 -8.959 0.714 5.677 330 HG LEU 40 HG LEU 40 -6.931 -1.502 6.065 331 1HD1 LEU 40 1HD1 LEU 40 -7.524 -0.896 8.271 332 2HD1 LEU 40 2HD1 LEU 40 -8.655 -2.190 7.873 333 3HD1 LEU 40 3HD1 LEU 40 -9.182 -0.508 7.811 334 1HD2 LEU 40 1HD2 LEU 40 -9.254 -2.763 5.877 335 2HD2 LEU 40 2HD2 LEU 40 -8.402 -2.248 4.421 336 3HD2 LEU 40 3HD2 LEU 40 -9.744 -1.288 5.043 337 H ARG 41 H ARG 41 -6.575 2.954 4.497 338 HA ARG 41 HA ARG 41 -8.856 4.286 3.400 339 1HB ARG 41 1HB ARG 41 -5.916 5.023 3.553 340 2HB ARG 41 2HB ARG 41 -7.149 6.153 2.991 341 1HG ARG 41 1HG ARG 41 -7.608 4.728 5.583 342 2HG ARG 41 2HG ARG 41 -6.457 6.065 5.554 343 1HD ARG 41 1HD ARG 41 -8.108 7.630 4.890 344 2HD ARG 41 2HD ARG 41 -9.226 6.354 4.367 345 HE ARG 41 HE ARG 41 -9.841 6.020 6.635 346 1HH1 ARG 41 1HH2 ARG 41 -9.330 8.915 7.090 347 2HH1 ARG 41 2HH2 ARG 41 -8.230 8.896 8.428 348 1HH2 ARG 41 1HH1 ARG 41 -7.403 5.551 8.042 349 2HH2 ARG 41 2HH1 ARG 41 -7.139 6.991 8.967 350 H VAL 42 H VAL 42 -5.896 3.046 1.767 351 HA VAL 42 HA VAL 42 -6.460 4.128 -0.838 352 HB VAL 42 HB VAL 42 -5.040 1.567 -0.002 353 1HG1 VAL 42 1HG1 VAL 42 -5.751 1.733 -2.455 354 2HG1 VAL 42 2HG1 VAL 42 -4.024 1.536 -2.170 355 3HG1 VAL 42 3HG1 VAL 42 -4.674 3.124 -2.574 356 1HG2 VAL 42 1HG2 VAL 42 -4.362 4.107 0.668 357 2HG2 VAL 42 2HG2 VAL 42 -3.571 3.990 -0.903 358 3HG2 VAL 42 3HG2 VAL 42 -3.171 2.840 0.373 359 H GLY 43 H GLY 43 -7.552 1.081 0.735 360 1HA GLY 43 1HA GLY 43 -8.871 0.023 -1.591 361 2HA GLY 43 2HA GLY 43 -9.206 -0.447 0.078 362 H GLN 44 H GLN 44 -10.035 2.027 1.163 363 HA GLN 44 HA GLN 44 -12.788 2.157 0.255 364 1HB GLN 44 1HB GLN 44 -11.516 2.859 2.521 365 2HB GLN 44 2HB GLN 44 -11.558 4.443 1.746 366 1HG GLN 44 1HG GLN 44 -13.871 4.563 1.795 367 2HG GLN 44 2HG GLN 44 -14.066 2.809 1.772 368 1HE2 GLN 44 1HE2 GLN 44 -15.106 2.288 3.751 369 2HE2 GLN 44 2HE2 GLN 44 -14.590 2.851 5.267 370 H ILE 45 H ILE 45 -9.927 4.244 -0.350 371 HA ILE 45 HA ILE 45 -11.289 6.329 -1.795 372 HB ILE 45 HB ILE 45 -8.465 5.192 -1.996 373 1HG1 ILE 45 1HG1 ILE 45 -9.309 7.791 -0.724 374 2HG1 ILE 45 2HG1 ILE 45 -9.416 6.276 0.172 375 1HG2 ILE 45 1HG2 ILE 45 -7.791 7.102 -3.232 376 2HG2 ILE 45 2HG2 ILE 45 -9.307 7.943 -2.917 377 3HG2 ILE 45 3HG2 ILE 45 -9.273 6.573 -4.026 378 1HD1 ILE 45 1HD1 ILE 45 -7.254 6.744 0.729 379 2HD1 ILE 45 2HD1 ILE 45 -7.028 7.817 -0.652 380 3HD1 ILE 45 3HD1 ILE 45 -6.901 6.071 -0.863 381 H LEU 46 H LEU 46 -9.921 3.200 -2.926 382 HA LEU 46 HA LEU 46 -10.778 3.745 -5.696 383 1HB LEU 46 1HB LEU 46 -8.779 2.369 -5.178 384 2HB LEU 46 2HB LEU 46 -9.806 1.193 -4.359 385 HG LEU 46 HG LEU 46 -11.052 0.829 -6.476 386 1HD1 LEU 46 1HD1 LEU 46 -8.974 2.738 -7.590 387 2HD1 LEU 46 2HD1 LEU 46 -10.717 3.001 -7.528 388 3HD1 LEU 46 3HD1 LEU 46 -10.049 1.750 -8.579 389 1HD2 LEU 46 1HD2 LEU 46 -8.043 0.518 -6.708 390 2HD2 LEU 46 2HD2 LEU 46 -9.235 -0.363 -7.664 391 3HD2 LEU 46 3HD2 LEU 46 -9.140 -0.617 -5.921 392 H LYS 47 H LYS 47 -12.073 2.009 -2.853 393 HA LYS 47 HA LYS 47 -14.200 0.665 -4.327 394 1HB LYS 47 1HB LYS 47 -13.609 1.280 -1.426 395 2HB LYS 47 2HB LYS 47 -15.155 0.570 -1.890 396 1HG LYS 47 1HG LYS 47 -14.062 -1.343 -2.877 397 2HG LYS 47 2HG LYS 47 -12.474 -0.600 -2.679 398 1HD LYS 47 1HD LYS 47 -12.502 -1.962 -0.809 399 2HD LYS 47 2HD LYS 47 -13.227 -0.506 -0.128 400 1HE LYS 47 1HE LYS 47 -15.477 -1.637 -1.035 401 2HE LYS 47 2HE LYS 47 -14.518 -3.114 -0.812 402 1HZ LYS 47 1HZ LYS 47 -15.710 -2.353 1.229 403 2HZ LYS 47 2HZ LYS 47 -14.727 -0.966 1.227 404 3HZ LYS 47 3HZ LYS 47 -14.031 -2.504 1.419 405 H GLU 48 H GLU 48 -13.785 3.886 -2.831 406 HA GLU 48 HA GLU 48 -16.472 4.698 -2.584 407 1HB GLU 48 1HB GLU 48 -13.862 6.019 -3.167 408 2HB GLU 48 2HB GLU 48 -15.316 6.982 -3.436 409 1HG GLU 48 1HG GLU 48 -14.861 5.453 -0.870 410 2HG GLU 48 2HG GLU 48 -14.289 7.107 -1.088 411 HA PRO 49 HA PRO 49 -17.834 4.455 -6.821 412 1HB PRO 49 1HB PRO 49 -20.163 5.878 -6.612 413 2HB PRO 49 2HB PRO 49 -19.989 4.211 -6.027 414 1HG PRO 49 1HG PRO 49 -19.906 6.768 -4.507 415 2HG PRO 49 2HG PRO 49 -20.639 5.218 -4.068 416 1HD PRO 49 1HD PRO 49 -18.252 6.071 -3.083 417 2HD PRO 49 2HD PRO 49 -18.666 4.355 -3.288 418 H LYS 50 H LYS 50 -17.745 7.637 -5.158 419 HA LYS 50 HA LYS 50 -17.759 9.132 -7.701 420 1HB LYS 50 1HB LYS 50 -18.391 9.763 -5.137 421 2HB LYS 50 2HB LYS 50 -16.731 10.360 -5.183 422 1HG LYS 50 1HG LYS 50 -17.199 11.939 -6.830 423 2HG LYS 50 2HG LYS 50 -18.589 11.039 -7.439 424 1HD LYS 50 1HD LYS 50 -19.987 11.767 -5.709 425 2HD LYS 50 2HD LYS 50 -18.632 12.152 -4.646 426 1HE LYS 50 1HE LYS 50 -18.683 13.675 -7.191 427 2HE LYS 50 2HE LYS 50 -19.996 14.046 -6.055 428 1HZ LYS 50 1HZ LYS 50 -17.093 13.966 -5.419 429 2HZ LYS 50 2HZ LYS 50 -18.331 14.216 -4.283 430 3HZ LYS 50 3HZ LYS 50 -18.056 15.359 -5.510 431 H MET 51 H MET 51 -15.330 7.986 -5.343 432 HA MET 51 HA MET 51 -13.105 9.275 -6.782 433 1HB MET 51 1HB MET 51 -13.173 8.965 -4.313 434 2HB MET 51 2HB MET 51 -13.136 7.219 -4.557 435 1HG MET 51 1HG MET 51 -10.888 7.960 -4.119 436 2HG MET 51 2HG MET 51 -10.991 7.507 -5.818 437 1HE MET 51 1HE MET 51 -8.472 10.472 -5.725 438 2HE MET 51 2HE MET 51 -8.704 8.727 -5.812 439 3HE MET 51 3HE MET 51 -8.797 9.545 -4.254 440 H ALA 52 H ALA 52 -14.661 6.060 -6.742 441 HA ALA 52 HA ALA 52 -12.558 4.497 -7.872 442 1HB ALA 52 1HB ALA 52 -14.401 3.218 -7.280 443 2HB ALA 52 2HB ALA 52 -14.725 3.373 -9.006 444 3HB ALA 52 3HB ALA 52 -15.552 4.424 -7.856 445 H ALA 53 H ALA 53 -14.927 6.652 -9.496 446 HA ALA 53 HA ALA 53 -14.161 5.960 -12.201 447 1HB ALA 53 1HB ALA 53 -16.223 7.251 -11.375 448 2HB ALA 53 2HB ALA 53 -15.442 7.895 -12.819 449 3HB ALA 53 3HB ALA 53 -15.168 8.660 -11.254 450 H SER 54 H SER 54 -12.948 8.459 -9.919 451 HA SER 54 HA SER 54 -11.165 9.749 -11.797 452 1HB SER 54 1HB SER 54 -11.302 9.524 -8.787 453 2HB SER 54 2HB SER 54 -9.981 10.392 -9.565 454 HG SER 54 HG SER 54 -12.760 10.909 -9.645 455 H LEU 55 H LEU 55 -10.697 6.967 -9.567 456 HA LEU 55 HA LEU 55 -7.844 6.711 -10.145 457 1HB LEU 55 1HB LEU 55 -9.967 5.087 -8.779 458 2HB LEU 55 2HB LEU 55 -8.446 4.296 -9.195 459 HG LEU 55 HG LEU 55 -8.296 6.971 -7.877 460 1HD1 LEU 55 1HD1 LEU 55 -9.947 5.914 -6.471 461 2HD1 LEU 55 2HD1 LEU 55 -8.395 5.792 -5.642 462 3HD1 LEU 55 3HD1 LEU 55 -9.058 4.391 -6.483 463 1HD2 LEU 55 1HD2 LEU 55 -6.677 4.486 -8.182 464 2HD2 LEU 55 2HD2 LEU 55 -6.471 5.391 -6.682 465 3HD2 LEU 55 3HD2 LEU 55 -6.166 6.174 -8.233 466 H LEU 56 H LEU 56 -10.804 5.303 -11.591 467 HA LEU 56 HA LEU 56 -9.165 3.568 -13.367 468 1HB LEU 56 1HB LEU 56 -11.229 2.714 -12.327 469 2HB LEU 56 2HB LEU 56 -12.161 3.996 -13.100 470 HG LEU 56 HG LEU 56 -10.471 2.254 -14.844 471 1HD1 LEU 56 1HD1 LEU 56 -12.648 0.782 -14.971 472 2HD1 LEU 56 2HD1 LEU 56 -12.922 1.389 -13.338 473 3HD1 LEU 56 3HD1 LEU 56 -11.459 0.474 -13.705 474 1HD2 LEU 56 1HD2 LEU 56 -11.754 3.186 -16.466 475 2HD2 LEU 56 2HD2 LEU 56 -12.345 4.293 -15.228 476 3HD2 LEU 56 3HD2 LEU 56 -13.246 2.824 -15.600 477 H ASN 57 H ASN 57 -10.558 6.781 -13.520 478 HA ASN 57 HA ASN 57 -11.342 7.038 -16.211 479 1HB ASN 57 1HB ASN 57 -10.962 8.755 -14.114 480 2HB ASN 57 2HB ASN 57 -9.634 9.229 -15.172 481 1HD2 ASN 57 1HD2 ASN 57 -10.770 11.306 -15.666 482 2HD2 ASN 57 2HD2 ASN 57 -12.107 11.309 -16.712 483 HA PRO 58 HA PRO 58 -7.583 6.380 -18.453 484 1HB PRO 58 1HB PRO 58 -8.295 7.446 -20.861 485 2HB PRO 58 2HB PRO 58 -8.905 5.886 -20.275 486 1HG PRO 58 1HG PRO 58 -10.252 8.512 -20.404 487 2HG PRO 58 2HG PRO 58 -10.929 6.884 -20.530 488 1HD PRO 58 1HD PRO 58 -11.024 8.531 -18.280 489 2HD PRO 58 2HD PRO 58 -11.349 6.786 -18.311 490 H TYR 59 H TYR 59 -8.572 9.479 -17.440 491 HA TYR 59 HA TYR 59 -6.545 10.974 -18.992 492 1HB TYR 59 1HB TYR 59 -8.576 11.726 -16.859 493 2HB TYR 59 2HB TYR 59 -7.527 12.890 -17.674 494 HD1 TYR 59 HD1 TYR 59 -10.309 10.474 -18.144 495 HD2 TYR 59 HD2 TYR 59 -7.905 13.538 -19.967 496 HE1 TYR 59 HE1 TYR 59 -11.876 10.568 -20.057 497 HE2 TYR 59 HE2 TYR 59 -9.481 13.633 -21.879 498 HH TYR 59 HH TYR 59 -12.474 12.561 -21.849 499 H VAL 60 H VAL 60 -7.042 9.695 -15.679 500 HA VAL 60 HA VAL 60 -5.031 11.114 -14.270 501 HB VAL 60 HB VAL 60 -5.810 8.177 -14.079 502 1HG1 VAL 60 1HG1 VAL 60 -4.999 8.370 -11.730 503 2HG1 VAL 60 2HG1 VAL 60 -4.397 9.988 -12.093 504 3HG1 VAL 60 3HG1 VAL 60 -3.700 8.585 -12.902 505 1HG2 VAL 60 1HG2 VAL 60 -7.013 9.402 -11.992 506 2HG2 VAL 60 2HG2 VAL 60 -7.788 9.232 -13.567 507 3HG2 VAL 60 3HG2 VAL 60 -6.990 10.744 -13.136 508 H LYS 61 H LYS 61 -4.591 8.517 -16.690 509 HA LYS 61 HA LYS 61 -2.637 7.676 -17.686 510 1HB LYS 61 1HB LYS 61 -2.449 10.410 -17.497 511 2HB LYS 61 2HB LYS 61 -0.968 9.901 -16.686 512 1HG LYS 61 1HG LYS 61 -0.057 9.027 -18.599 513 2HG LYS 61 2HG LYS 61 -1.619 8.497 -19.223 514 1HD LYS 61 1HD LYS 61 -1.058 11.437 -19.020 515 2HD LYS 61 2HD LYS 61 -0.365 10.522 -20.360 516 1HE LYS 61 1HE LYS 61 -2.922 9.589 -20.428 517 2HE LYS 61 2HE LYS 61 -3.195 11.244 -19.847 518 1HZ LYS 61 1HZ LYS 61 -1.481 10.526 -22.166 519 2HZ LYS 61 2HZ LYS 61 -1.846 12.095 -21.629 520 3HZ LYS 61 3HZ LYS 61 -3.066 11.116 -22.292 521 H ARG 62 H ARG 62 0.024 7.593 -16.958 522 HA ARG 62 HA ARG 62 -0.101 6.263 -14.272 523 1HB ARG 62 1HB ARG 62 0.584 5.178 -16.593 524 2HB ARG 62 2HB ARG 62 2.138 5.938 -16.249 525 1HG ARG 62 1HG ARG 62 0.807 4.366 -14.075 526 2HG ARG 62 2HG ARG 62 1.614 3.489 -15.376 527 1HD ARG 62 1HD ARG 62 3.119 5.766 -14.164 528 2HD ARG 62 2HD ARG 62 2.958 4.288 -13.193 529 HE ARG 62 HE ARG 62 3.974 3.034 -15.058 530 1HH1 ARG 62 1HH2 ARG 62 5.870 5.334 -14.323 531 2HH1 ARG 62 2HH2 ARG 62 6.316 5.901 -15.897 532 1HH2 ARG 62 1HH1 ARG 62 3.731 4.249 -17.514 533 2HH2 ARG 62 2HH1 ARG 62 5.104 5.287 -17.704 534 H SER 63 H SER 63 2.287 8.124 -16.272 535 HA SER 63 HA SER 63 4.040 8.778 -14.098 536 1HB SER 63 1HB SER 63 3.390 10.269 -16.667 537 2HB SER 63 2HB SER 63 4.749 10.668 -15.620 538 HG SER 63 HG SER 63 5.271 9.221 -17.366 539 H VAL 64 H VAL 64 1.189 10.548 -15.388 540 HA VAL 64 HA VAL 64 1.407 12.798 -13.569 541 HB VAL 64 HB VAL 64 -1.030 11.573 -14.931 542 1HG1 VAL 64 1HG1 VAL 64 -1.632 13.139 -13.126 543 2HG1 VAL 64 2HG1 VAL 64 -1.984 13.849 -14.701 544 3HG1 VAL 64 3HG1 VAL 64 -0.550 14.354 -13.808 545 1HG2 VAL 64 1HG2 VAL 64 0.439 12.125 -16.679 546 2HG2 VAL 64 2HG2 VAL 64 1.106 13.508 -15.811 547 3HG2 VAL 64 3HG2 VAL 64 -0.513 13.599 -16.505 548 H LYS 65 H LYS 65 -0.315 9.649 -13.367 549 HA LYS 65 HA LYS 65 -1.715 10.107 -10.916 550 1HB LYS 65 1HB LYS 65 -1.792 8.119 -12.586 551 2HB LYS 65 2HB LYS 65 -0.438 7.468 -11.662 552 1HG LYS 65 1HG LYS 65 -1.804 7.649 -9.587 553 2HG LYS 65 2HG LYS 65 -3.168 8.197 -10.562 554 1HD LYS 65 1HD LYS 65 -1.861 5.689 -11.466 555 2HD LYS 65 2HD LYS 65 -2.741 5.592 -9.942 556 1HE LYS 65 1HE LYS 65 -4.758 6.514 -11.029 557 2HE LYS 65 2HE LYS 65 -3.878 6.623 -12.566 558 1HZ LYS 65 1HZ LYS 65 -3.397 4.237 -12.382 559 2HZ LYS 65 2HZ LYS 65 -5.066 4.538 -12.467 560 3HZ LYS 65 3HZ LYS 65 -4.345 4.153 -10.978 561 H VAL 66 H VAL 66 1.700 9.145 -11.478 562 HA VAL 66 HA VAL 66 2.354 8.416 -8.783 563 HB VAL 66 HB VAL 66 4.063 9.796 -10.896 564 1HG1 VAL 66 1HG1 VAL 66 5.311 9.955 -8.905 565 2HG1 VAL 66 2HG1 VAL 66 5.881 8.442 -9.609 566 3HG1 VAL 66 3HG1 VAL 66 4.706 8.415 -8.294 567 1HG2 VAL 66 1HG2 VAL 66 3.443 7.820 -11.939 568 2HG2 VAL 66 2HG2 VAL 66 3.194 6.971 -10.413 569 3HG2 VAL 66 3HG2 VAL 66 4.830 7.243 -11.013 570 H LYS 67 H LYS 67 2.368 11.647 -10.375 571 HA LYS 67 HA LYS 67 3.304 13.038 -7.979 572 1HB LYS 67 1HB LYS 67 3.395 13.860 -10.400 573 2HB LYS 67 2HB LYS 67 1.663 14.171 -10.273 574 1HG LYS 67 1HG LYS 67 2.481 15.414 -8.029 575 2HG LYS 67 2HG LYS 67 3.942 15.600 -8.999 576 1HD LYS 67 1HD LYS 67 2.552 16.540 -10.846 577 2HD LYS 67 2HD LYS 67 1.141 16.446 -9.792 578 1HE LYS 67 1HE LYS 67 3.578 17.861 -8.761 579 2HE LYS 67 2HE LYS 67 2.538 18.699 -9.930 580 1HZ LYS 67 1HZ LYS 67 1.590 17.354 -7.454 581 2HZ LYS 67 2HZ LYS 67 0.623 18.198 -8.568 582 3HZ LYS 67 3HZ LYS 67 1.775 19.030 -7.636 583 H SER 68 H SER 68 0.068 12.393 -9.407 584 HA SER 68 HA SER 68 -1.473 13.874 -7.483 585 1HB SER 68 1HB SER 68 -2.072 11.371 -9.098 586 2HB SER 68 2HB SER 68 -3.293 12.227 -8.162 587 HG SER 68 HG SER 68 -3.075 13.970 -9.469 588 H LEU 69 H LEU 69 -0.117 10.548 -7.375 589 HA LEU 69 HA LEU 69 -1.477 9.741 -4.948 590 1HB LEU 69 1HB LEU 69 0.181 8.530 -6.776 591 2HB LEU 69 2HB LEU 69 1.272 8.718 -5.403 592 HG LEU 69 HG LEU 69 -0.509 7.678 -3.954 593 1HD1 LEU 69 1HD1 LEU 69 -2.117 6.233 -5.476 594 2HD1 LEU 69 2HD1 LEU 69 -1.826 7.523 -6.643 595 3HD1 LEU 69 3HD1 LEU 69 -2.536 7.898 -5.073 596 1HD2 LEU 69 1HD2 LEU 69 -0.202 5.345 -5.071 597 2HD2 LEU 69 2HD2 LEU 69 1.241 6.214 -4.552 598 3HD2 LEU 69 3HD2 LEU 69 0.778 6.212 -6.253 599 H SER 70 H SER 70 1.880 11.003 -5.441 600 HA SER 70 HA SER 70 2.484 11.274 -2.636 601 1HB SER 70 1HB SER 70 4.079 11.388 -4.630 602 2HB SER 70 2HB SER 70 3.508 13.034 -4.889 603 HG SER 70 HG SER 70 5.273 13.192 -3.582 604 H ASP 71 H ASP 71 0.979 13.560 -4.971 605 HA ASP 71 HA ASP 71 0.829 15.766 -3.079 606 1HB ASP 71 1HB ASP 71 0.670 15.837 -5.634 607 2HB ASP 71 2HB ASP 71 -0.990 15.269 -5.454 608 H MET 72 H MET 72 -1.073 12.836 -3.367 609 HA MET 72 HA MET 72 -3.410 14.038 -1.967 610 1HB MET 72 1HB MET 72 -3.555 12.252 -3.798 611 2HB MET 72 2HB MET 72 -2.838 11.128 -2.643 612 1HG MET 72 1HG MET 72 -4.714 11.730 -1.047 613 2HG MET 72 2HG MET 72 -5.472 12.599 -2.382 614 1HE MET 72 1HE MET 72 -4.423 9.635 -0.686 615 2HE MET 72 2HE MET 72 -3.674 8.834 -2.064 616 3HE MET 72 3HE MET 72 -5.210 8.240 -1.438 617 H THR 73 H THR 73 -0.805 11.630 -1.440 618 HA THR 73 HA THR 73 -1.366 10.955 1.274 619 HB THR 73 HB THR 73 1.074 11.074 -0.503 620 HG1 THR 73 HG1 THR 73 -0.279 9.355 -0.775 621 1HG2 THR 73 1HG2 THR 73 2.173 9.714 1.452 622 2HG2 THR 73 2HG2 THR 73 1.060 10.640 2.459 623 3HG2 THR 73 3HG2 THR 73 2.243 11.475 1.452 624 H ALA 74 H ALA 74 0.366 13.800 -0.114 625 HA ALA 74 HA ALA 74 1.421 14.891 2.312 626 1HB ALA 74 1HB ALA 74 0.539 15.969 -0.345 627 2HB ALA 74 2HB ALA 74 2.134 16.022 0.406 628 3HB ALA 74 3HB ALA 74 0.870 17.127 0.945 629 H LYS 75 H LYS 75 -1.862 15.195 0.883 630 HA LYS 75 HA LYS 75 -2.767 16.897 3.142 631 1HB LYS 75 1HB LYS 75 -3.536 17.232 0.783 632 2HB LYS 75 2HB LYS 75 -4.301 15.644 0.835 633 1HG LYS 75 1HG LYS 75 -6.114 16.904 1.476 634 2HG LYS 75 2HG LYS 75 -5.378 16.691 3.064 635 1HD LYS 75 1HD LYS 75 -4.043 18.844 2.499 636 2HD LYS 75 2HD LYS 75 -5.262 19.093 1.248 637 1HE LYS 75 1HE LYS 75 -6.265 20.212 3.035 638 2HE LYS 75 2HE LYS 75 -6.927 18.584 3.283 639 1HZ LYS 75 1HZ LYS 75 -5.872 19.484 5.304 640 2HZ LYS 75 2HZ LYS 75 -4.392 19.581 4.474 641 3HZ LYS 75 3HZ LYS 75 -5.114 18.069 4.755 642 H GLU 76 H GLU 76 -3.066 13.499 2.045 643 HA GLU 76 HA GLU 76 -5.122 12.723 3.923 644 1HB GLU 76 1HB GLU 76 -4.184 11.517 1.822 645 2HB GLU 76 2HB GLU 76 -2.942 10.898 2.912 646 1HG GLU 76 1HG GLU 76 -4.439 9.609 4.113 647 2HG GLU 76 2HG GLU 76 -5.796 10.684 3.776 648 H LYS 77 H LYS 77 -1.728 13.446 4.484 649 HA LYS 77 HA LYS 77 -0.417 13.257 6.417 650 1HB LYS 77 1HB LYS 77 -3.253 13.382 7.278 651 2HB LYS 77 2HB LYS 77 -2.147 12.720 8.479 652 1HG LYS 77 1HG LYS 77 -0.661 14.801 7.753 653 2HG LYS 77 2HG LYS 77 -2.229 15.460 7.284 654 1HD LYS 77 1HD LYS 77 -2.921 14.541 9.693 655 2HD LYS 77 2HD LYS 77 -1.199 14.769 10.001 656 1HE LYS 77 1HE LYS 77 -2.871 16.949 8.730 657 2HE LYS 77 2HE LYS 77 -2.712 16.796 10.491 658 1HZ LYS 77 1HZ LYS 77 -0.351 16.896 10.315 659 2HZ LYS 77 2HZ LYS 77 -0.974 18.215 9.444 660 3HZ LYS 77 3HZ LYS 77 -0.406 16.841 8.621 661 H PHE 78 H PHE 78 -0.478 10.950 4.845 662 HA PHE 78 HA PHE 78 -1.314 8.531 6.107 663 1HB PHE 78 1HB PHE 78 0.609 9.333 4.005 664 2HB PHE 78 2HB PHE 78 1.004 7.811 4.799 665 HD1 PHE 78 HD1 PHE 78 -1.338 6.441 5.393 666 HD2 PHE 78 HD2 PHE 78 -0.647 9.045 2.046 667 HE1 PHE 78 HE1 PHE 78 -3.159 5.313 4.139 668 HE2 PHE 78 HE2 PHE 78 -2.462 7.909 0.789 669 HZ PHE 78 HZ PHE 78 -3.721 6.044 1.839 670 H SER 79 H SER 79 0.751 6.858 6.703 671 HA SER 79 HA SER 79 1.966 8.144 9.099 672 1HB SER 79 1HB SER 79 0.506 5.718 8.559 673 2HB SER 79 2HB SER 79 2.107 5.293 9.150 674 HG SER 79 HG SER 79 0.146 6.947 10.357 675 HA PRO 80 HA PRO 80 6.023 7.266 7.697 676 1HB PRO 80 1HB PRO 80 7.213 5.588 9.486 677 2HB PRO 80 2HB PRO 80 6.903 7.304 9.803 678 1HG PRO 80 1HG PRO 80 5.357 4.914 10.676 679 2HG PRO 80 2HG PRO 80 5.777 6.378 11.581 680 1HD PRO 80 1HD PRO 80 3.343 5.990 10.502 681 2HD PRO 80 2HD PRO 80 4.065 7.603 10.657 682 H LEU 81 H LEU 81 3.924 4.472 8.033 683 HA LEU 81 HA LEU 81 5.794 2.893 6.305 684 1HB LEU 81 1HB LEU 81 3.677 2.262 8.347 685 2HB LEU 81 2HB LEU 81 4.013 1.092 7.065 686 HG LEU 81 HG LEU 81 5.363 0.632 9.096 687 1HD1 LEU 81 1HD1 LEU 81 7.415 1.629 7.190 688 2HD1 LEU 81 2HD1 LEU 81 6.203 0.529 6.533 689 3HD1 LEU 81 3HD1 LEU 81 7.212 0.022 7.889 690 1HD2 LEU 81 1HD2 LEU 81 6.913 2.173 9.987 691 2HD2 LEU 81 2HD2 LEU 81 5.495 3.165 9.650 692 3HD2 LEU 81 3HD2 LEU 81 6.870 3.188 8.545 693 H THR 82 H THR 82 3.700 5.118 5.515 694 HA THR 82 HA THR 82 2.315 3.389 3.532 695 HB THR 82 HB THR 82 0.829 5.677 4.782 696 HG1 THR 82 HG1 THR 82 0.483 4.558 6.603 697 1HG2 THR 82 1HG2 THR 82 -0.682 4.636 3.444 698 2HG2 THR 82 2HG2 THR 82 -0.703 3.352 4.649 699 3HG2 THR 82 3HG2 THR 82 0.343 3.220 3.241 700 H SER 83 H SER 83 4.640 5.515 3.441 701 HA SER 83 HA SER 83 3.405 7.063 1.199 702 1HB SER 83 1HB SER 83 5.556 7.925 3.184 703 2HB SER 83 2HB SER 83 4.969 8.907 1.845 704 HG SER 83 HG SER 83 3.630 8.068 4.185 705 H ASN 84 H ASN 84 4.603 4.496 1.072 706 HA ASN 84 HA ASN 84 6.813 4.991 -0.853 707 1HB ASN 84 1HB ASN 84 6.969 3.628 1.809 708 2HB ASN 84 2HB ASN 84 7.804 2.837 0.472 709 1HD2 ASN 84 1HD2 ASN 84 9.543 4.125 -0.657 710 2HD2 ASN 84 2HD2 ASN 84 10.281 5.416 0.162 711 H LEU 85 H LEU 85 5.117 2.348 0.929 712 HA LEU 85 HA LEU 85 4.795 0.569 -1.298 713 1HB LEU 85 1HB LEU 85 4.392 -0.109 1.040 714 2HB LEU 85 2HB LEU 85 3.083 1.061 1.186 715 HG LEU 85 HG LEU 85 1.860 -0.153 -0.631 716 1HD1 LEU 85 1HD1 LEU 85 4.217 -2.034 -0.339 717 2HD1 LEU 85 2HD1 LEU 85 3.679 -1.208 -1.801 718 3HD1 LEU 85 3HD1 LEU 85 2.700 -2.500 -1.107 719 1HD2 LEU 85 1HD2 LEU 85 1.803 -0.665 1.963 720 2HD2 LEU 85 2HD2 LEU 85 2.544 -2.187 1.468 721 3HD2 LEU 85 3HD2 LEU 85 0.963 -1.728 0.834 722 H ILE 86 H ILE 86 3.039 3.566 -0.337 723 HA ILE 86 HA ILE 86 0.683 3.165 -1.910 724 HB ILE 86 HB ILE 86 1.059 4.976 -0.210 725 1HG1 ILE 86 1HG1 ILE 86 0.397 6.393 -2.751 726 2HG1 ILE 86 2HG1 ILE 86 -0.592 5.004 -2.302 727 1HG2 ILE 86 1HG2 ILE 86 2.334 6.935 -0.737 728 2HG2 ILE 86 2HG2 ILE 86 2.568 6.416 -2.406 729 3HG2 ILE 86 3HG2 ILE 86 3.380 5.561 -1.093 730 1HD1 ILE 86 1HD1 ILE 86 -1.196 7.438 -1.434 731 2HD1 ILE 86 2HD1 ILE 86 0.015 7.053 -0.208 732 3HD1 ILE 86 3HD1 ILE 86 -1.411 6.029 -0.395 733 H ASN 87 H ASN 87 3.929 4.393 -2.835 734 HA ASN 87 HA ASN 87 3.218 5.203 -5.517 735 1HB ASN 87 1HB ASN 87 5.746 4.373 -4.099 736 2HB ASN 87 2HB ASN 87 5.774 4.606 -5.847 737 1HD2 ASN 87 1HD2 ASN 87 5.460 6.293 -2.737 738 2HD2 ASN 87 2HD2 ASN 87 5.498 7.858 -3.393 739 H LEU 88 H LEU 88 4.627 2.116 -4.286 740 HA LEU 88 HA LEU 88 4.735 0.635 -6.686 741 1HB LEU 88 1HB LEU 88 4.358 0.032 -3.795 742 2HB LEU 88 2HB LEU 88 3.924 -1.263 -4.910 743 HG LEU 88 HG LEU 88 6.483 0.106 -5.507 744 1HD1 LEU 88 1HD1 LEU 88 7.641 -1.320 -3.745 745 2HD1 LEU 88 2HD1 LEU 88 6.055 -1.545 -3.005 746 3HD1 LEU 88 3HD1 LEU 88 6.753 0.071 -3.123 747 1HD2 LEU 88 1HD2 LEU 88 5.371 -2.698 -5.467 748 2HD2 LEU 88 2HD2 LEU 88 7.106 -2.423 -5.626 749 3HD2 LEU 88 3HD2 LEU 88 5.997 -1.779 -6.837 750 H LEU 89 H LEU 89 1.879 1.193 -4.574 751 HA LEU 89 HA LEU 89 0.066 -0.531 -6.000 752 1HB LEU 89 1HB LEU 89 -0.138 1.799 -4.133 753 2HB LEU 89 2HB LEU 89 -1.583 1.394 -5.060 754 HG LEU 89 HG LEU 89 -0.005 -0.604 -3.416 755 1HD1 LEU 89 1HD1 LEU 89 -0.987 0.456 -1.659 756 2HD1 LEU 89 2HD1 LEU 89 -2.462 -0.335 -2.211 757 3HD1 LEU 89 3HD1 LEU 89 -2.119 1.326 -2.692 758 1HD2 LEU 89 1HD2 LEU 89 -2.444 -0.689 -5.152 759 2HD2 LEU 89 2HD2 LEU 89 -2.396 -1.729 -3.727 760 3HD2 LEU 89 3HD2 LEU 89 -1.156 -1.880 -4.974 761 H ALA 90 H ALA 90 0.915 2.929 -6.470 762 HA ALA 90 HA ALA 90 -0.662 2.883 -9.019 763 1HB ALA 90 1HB ALA 90 -1.177 5.046 -8.521 764 2HB ALA 90 2HB ALA 90 0.484 5.425 -8.068 765 3HB ALA 90 3HB ALA 90 -0.594 4.657 -6.903 766 H GLU 91 H GLU 91 2.126 1.674 -8.654 767 HA GLU 91 HA GLU 91 3.763 3.571 -10.292 768 1HB GLU 91 1HB GLU 91 4.739 2.582 -8.241 769 2HB GLU 91 2HB GLU 91 4.458 0.966 -8.886 770 1HG GLU 91 1HG GLU 91 5.917 1.559 -10.840 771 2HG GLU 91 2HG GLU 91 6.283 3.092 -10.046 772 H ASN 92 H ASN 92 2.588 0.146 -10.342 773 HA ASN 92 HA ASN 92 3.224 0.117 -13.280 774 1HB ASN 92 1HB ASN 92 3.166 -1.991 -11.113 775 2HB ASN 92 2HB ASN 92 3.202 -2.417 -12.824 776 1HD2 ASN 92 1HD2 ASN 92 5.429 -3.355 -12.451 777 2HD2 ASN 92 2HD2 ASN 92 6.758 -2.305 -12.339 778 H GLY 93 H GLY 93 0.637 1.124 -12.007 779 1HA GLY 93 1HA GLY 93 -1.619 0.984 -12.639 780 2HA GLY 93 2HA GLY 93 -1.188 -0.347 -13.719 781 H ARG 94 H ARG 94 -0.807 0.028 -10.154 782 HA ARG 94 HA ARG 94 -2.130 -2.638 -9.888 783 1HB ARG 94 1HB ARG 94 0.257 -1.680 -8.951 784 2HB ARG 94 2HB ARG 94 -0.792 -1.394 -7.564 785 1HG ARG 94 1HG ARG 94 -1.174 -3.638 -7.209 786 2HG ARG 94 2HG ARG 94 -1.013 -4.041 -8.919 787 1HD ARG 94 1HD ARG 94 1.390 -3.086 -7.363 788 2HD ARG 94 2HD ARG 94 0.901 -4.792 -7.315 789 HE ARG 94 HE ARG 94 1.586 -3.309 -9.823 790 1HH1 ARG 94 1HH2 ARG 94 -0.143 -5.997 -9.246 791 2HH1 ARG 94 2HH2 ARG 94 0.967 -7.136 -9.930 792 1HH2 ARG 94 1HH1 ARG 94 3.568 -4.856 -10.176 793 2HH2 ARG 94 2HH1 ARG 94 3.068 -6.491 -10.456 794 H LEU 95 H LEU 95 -3.725 -0.099 -10.216 795 HA LEU 95 HA LEU 95 -4.918 0.120 -7.474 796 1HB LEU 95 1HB LEU 95 -4.747 1.864 -9.911 797 2HB LEU 95 2HB LEU 95 -6.122 2.078 -8.826 798 HG LEU 95 HG LEU 95 -3.310 1.961 -7.746 799 1HD1 LEU 95 1HD1 LEU 95 -3.153 3.739 -9.330 800 2HD1 LEU 95 2HD1 LEU 95 -3.458 4.512 -7.774 801 3HD1 LEU 95 3HD1 LEU 95 -4.769 4.326 -8.938 802 1HD2 LEU 95 1HD2 LEU 95 -5.190 1.763 -6.167 803 2HD2 LEU 95 2HD2 LEU 95 -5.890 3.253 -6.800 804 3HD2 LEU 95 3HD2 LEU 95 -4.352 3.299 -5.936 805 H THR 96 H THR 96 -5.356 -2.179 -9.417 806 HA THR 96 HA THR 96 -8.297 -1.862 -9.910 807 HB THR 96 HB THR 96 -7.938 -3.771 -11.467 808 HG1 THR 96 HG1 THR 96 -5.909 -4.619 -11.708 809 1HG2 THR 96 1HG2 THR 96 -7.645 -1.890 -12.741 810 2HG2 THR 96 2HG2 THR 96 -5.992 -2.499 -12.832 811 3HG2 THR 96 3HG2 THR 96 -6.403 -1.235 -11.673 812 H ASN 97 H ASN 97 -5.828 -4.281 -8.848 813 HA ASN 97 HA ASN 97 -7.880 -5.510 -7.052 814 1HB ASN 97 1HB ASN 97 -5.165 -6.453 -8.058 815 2HB ASN 97 2HB ASN 97 -6.256 -7.406 -7.047 816 1HD2 ASN 97 1HD2 ASN 97 -5.549 -6.493 -10.339 817 2HD2 ASN 97 2HD2 ASN 97 -6.905 -7.233 -11.044 818 H THR 98 H THR 98 -6.577 -2.911 -6.389 819 HA THR 98 HA THR 98 -4.351 -3.392 -4.623 820 HB THR 98 HB THR 98 -4.874 -1.224 -5.732 821 HG1 THR 98 HG1 THR 98 -4.171 -0.038 -4.008 822 1HG2 THR 98 1HG2 THR 98 -6.546 0.250 -4.558 823 2HG2 THR 98 2HG2 THR 98 -7.110 -1.179 -3.693 824 3HG2 THR 98 3HG2 THR 98 -7.264 -1.092 -5.447 825 HA PRO 99 HA PRO 99 -7.617 -3.223 -1.089 826 1HB PRO 99 1HB PRO 99 -9.947 -4.592 -1.550 827 2HB PRO 99 2HB PRO 99 -9.786 -2.839 -1.776 828 1HG PRO 99 1HG PRO 99 -9.705 -5.022 -3.797 829 2HG PRO 99 2HG PRO 99 -10.470 -3.428 -3.888 830 1HD PRO 99 1HD PRO 99 -8.128 -3.985 -5.078 831 2HD PRO 99 2HD PRO 99 -8.516 -2.375 -4.458 832 H ALA 100 H ALA 100 -7.580 -6.008 -3.363 833 HA ALA 100 HA ALA 100 -7.708 -8.121 -1.432 834 1HB ALA 100 1HB ALA 100 -5.920 -8.235 -3.863 835 2HB ALA 100 2HB ALA 100 -7.670 -8.133 -4.057 836 3HB ALA 100 3HB ALA 100 -6.957 -9.498 -3.198 837 H VAL 101 H VAL 101 -4.912 -6.162 -2.552 838 HA VAL 101 HA VAL 101 -2.875 -7.671 -1.160 839 HB VAL 101 HB VAL 101 -2.977 -4.709 -1.861 840 1HG1 VAL 101 1HG1 VAL 101 -0.385 -5.367 -2.074 841 2HG1 VAL 101 2HG1 VAL 101 -0.852 -6.538 -0.841 842 3HG1 VAL 101 3HG1 VAL 101 -1.084 -4.814 -0.552 843 1HG2 VAL 101 1HG2 VAL 101 -3.156 -5.631 -3.958 844 2HG2 VAL 101 2HG2 VAL 101 -2.513 -7.188 -3.440 845 3HG2 VAL 101 3HG2 VAL 101 -1.417 -5.845 -3.759 846 H ILE 102 H ILE 102 -4.961 -4.929 -0.136 847 HA ILE 102 HA ILE 102 -3.664 -4.529 2.428 848 HB ILE 102 HB ILE 102 -6.507 -3.954 1.497 849 1HG1 ILE 102 1HG1 ILE 102 -4.350 -1.895 1.801 850 2HG1 ILE 102 2HG1 ILE 102 -4.322 -2.931 0.375 851 1HG2 ILE 102 1HG2 ILE 102 -6.721 -3.668 3.785 852 2HG2 ILE 102 2HG2 ILE 102 -6.077 -2.084 3.352 853 3HG2 ILE 102 3HG2 ILE 102 -5.006 -3.322 4.007 854 1HD1 ILE 102 1HD1 ILE 102 -5.766 -0.622 0.545 855 2HD1 ILE 102 2HD1 ILE 102 -6.975 -1.804 1.044 856 3HD1 ILE 102 3HD1 ILE 102 -6.180 -1.963 -0.522 857 H SER 103 H SER 103 -6.412 -6.611 1.392 858 HA SER 103 HA SER 103 -7.221 -7.502 3.998 859 1HB SER 103 1HB SER 103 -7.202 -8.975 1.336 860 2HB SER 103 2HB SER 103 -8.126 -9.472 2.751 861 HG SER 103 HG SER 103 -9.283 -8.161 1.177 862 H ALA 104 H ALA 104 -4.743 -8.852 1.758 863 HA ALA 104 HA ALA 104 -3.954 -11.098 3.342 864 1HB ALA 104 1HB ALA 104 -3.202 -10.575 1.007 865 2HB ALA 104 2HB ALA 104 -1.856 -10.969 2.075 866 3HB ALA 104 3HB ALA 104 -2.184 -9.288 1.655 867 H PHE 105 H PHE 105 -3.087 -7.640 3.666 868 HA PHE 105 HA PHE 105 -0.900 -7.851 5.485 869 1HB PHE 105 1HB PHE 105 -1.903 -5.782 4.348 870 2HB PHE 105 2HB PHE 105 -3.127 -5.791 5.616 871 HD1 PHE 105 HD1 PHE 105 -2.147 -5.973 8.102 872 HD2 PHE 105 HD2 PHE 105 0.037 -4.555 4.691 873 HE1 PHE 105 HE1 PHE 105 -0.593 -4.775 9.595 874 HE2 PHE 105 HE2 PHE 105 1.594 -3.355 6.192 875 HZ PHE 105 HZ PHE 105 1.279 -3.473 8.645 876 H SER 106 H SER 106 -4.438 -7.756 6.167 877 HA SER 106 HA SER 106 -4.202 -7.860 9.036 878 1HB SER 106 1HB SER 106 -6.358 -8.844 7.135 879 2HB SER 106 2HB SER 106 -6.565 -8.771 8.883 880 HG SER 106 HG SER 106 -6.390 -6.583 8.809 881 H THR 107 H THR 107 -4.375 -10.486 6.590 882 HA THR 107 HA THR 107 -4.380 -12.623 8.576 883 HB THR 107 HB THR 107 -3.497 -12.664 5.663 884 HG1 THR 107 HG1 THR 107 -5.609 -13.053 5.205 885 1HG2 THR 107 1HG2 THR 107 -2.844 -14.663 6.942 886 2HG2 THR 107 2HG2 THR 107 -4.122 -15.048 5.790 887 3HG2 THR 107 3HG2 THR 107 -4.506 -14.854 7.500 888 H MET 108 H MET 108 -1.790 -10.936 6.738 889 HA MET 108 HA MET 108 0.339 -12.670 7.711 890 1HB MET 108 1HB MET 108 0.343 -9.818 6.660 891 2HB MET 108 2HB MET 108 1.789 -10.791 6.917 892 1HG MET 108 1HG MET 108 -0.505 -11.595 5.107 893 2HG MET 108 2HG MET 108 0.982 -10.836 4.543 894 1HE MET 108 1HE MET 108 1.936 -12.757 2.967 895 2HE MET 108 2HE MET 108 0.226 -13.132 3.161 896 3HE MET 108 3HE MET 108 1.421 -14.421 3.278 897 H MET 109 H MET 109 -1.131 -9.610 8.890 898 HA MET 109 HA MET 109 0.766 -9.035 10.969 899 1HB MET 109 1HB MET 109 -1.065 -7.515 10.224 900 2HB MET 109 2HB MET 109 -2.256 -8.611 10.922 901 1HG MET 109 1HG MET 109 -0.052 -7.684 12.707 902 2HG MET 109 2HG MET 109 -1.294 -6.507 12.283 903 1HE MET 109 1HE MET 109 -2.837 -7.170 15.584 904 2HE MET 109 2HE MET 109 -2.991 -6.130 14.170 905 3HE MET 109 3HE MET 109 -1.397 -6.447 14.853 906 H SER 110 H SER 110 -2.124 -11.216 10.974 907 HA SER 110 HA SER 110 -2.100 -11.878 13.758 908 1HB SER 110 1HB SER 110 -3.578 -12.652 11.633 909 2HB SER 110 2HB SER 110 -2.554 -14.075 11.792 910 HG SER 110 HG SER 110 -3.294 -14.370 13.846 911 H VAL 111 H VAL 111 0.007 -13.073 11.126 912 HA VAL 111 HA VAL 111 1.236 -15.148 12.789 913 HB VAL 111 HB VAL 111 2.197 -13.831 10.222 914 1HG1 VAL 111 1HG1 VAL 111 4.040 -15.030 11.036 915 2HG1 VAL 111 2HG1 VAL 111 3.233 -16.228 10.024 916 3HG1 VAL 111 3HG1 VAL 111 3.029 -16.271 11.775 917 1HG2 VAL 111 1HG2 VAL 111 1.210 -16.115 9.346 918 2HG2 VAL 111 2HG2 VAL 111 0.132 -14.747 9.625 919 3HG2 VAL 111 3HG2 VAL 111 0.246 -16.038 10.821 920 H HIS 112 H HIS 112 1.728 -11.669 12.579 921 HA HIS 112 HA HIS 112 4.510 -11.844 13.504 922 1HB HIS 112 1HB HIS 112 4.589 -9.684 12.770 923 2HB HIS 112 2HB HIS 112 3.042 -10.045 12.022 924 HD1 HIS 112 HD1 HIS 112 0.942 -9.628 13.955 925 HD2 HIS 112 HD2 HIS 112 4.430 -7.454 14.239 926 HE1 HIS 112 HE1 HIS 112 0.396 -7.633 15.389 927 H ARG 113 H ARG 113 1.283 -11.665 14.962 928 HA ARG 113 HA ARG 113 2.469 -10.801 17.559 929 1HB ARG 113 1HB ARG 113 0.165 -10.131 16.312 930 2HB ARG 113 2HB ARG 113 -0.418 -11.483 17.283 931 1HG ARG 113 1HG ARG 113 0.067 -10.425 19.298 932 2HG ARG 113 2HG ARG 113 1.310 -9.401 18.578 933 1HD ARG 113 1HD ARG 113 -0.340 -7.800 18.696 934 2HD ARG 113 2HD ARG 113 -0.900 -8.566 17.195 935 HE ARG 113 HE ARG 113 -2.349 -10.034 18.653 936 1HH1 ARG 113 1HH1 ARG 113 -1.130 -9.215 21.279 937 2HH1 ARG 113 2HH1 ARG 113 -2.298 -8.084 21.877 938 1HH2 ARG 113 1HH2 ARG 113 -3.841 -7.648 18.802 939 2HH2 ARG 113 2HH2 ARG 113 -3.833 -7.197 20.475 940 H GLY 114 H GLY 114 0.991 -13.695 16.025 941 1HA GLY 114 1HA GLY 114 0.487 -15.233 18.335 942 2HA GLY 114 2HA GLY 114 0.915 -15.909 16.765 943 H GLU 115 H GLU 115 3.599 -14.657 16.647 944 HA GLU 115 HA GLU 115 4.942 -16.447 18.640 945 1HB GLU 115 1HB GLU 115 5.870 -15.192 16.033 946 2HB GLU 115 2HB GLU 115 6.841 -16.279 17.027 947 1HG GLU 115 1HG GLU 115 5.626 -18.133 16.434 948 2HG GLU 115 2HG GLU 115 4.120 -17.227 16.288 949 H VAL 116 H VAL 116 3.986 -13.845 19.551 950 HA VAL 116 HA VAL 116 6.608 -12.654 20.317 951 HB VAL 116 HB VAL 116 4.283 -11.150 19.062 952 1HG1 VAL 116 1HG1 VAL 116 5.216 -9.618 20.572 953 2HG1 VAL 116 2HG1 VAL 116 6.138 -9.300 19.103 954 3HG1 VAL 116 3HG1 VAL 116 6.841 -10.280 20.390 955 1HG2 VAL 116 1HG2 VAL 116 7.050 -11.898 18.081 956 2HG2 VAL 116 2HG2 VAL 116 6.079 -10.635 17.324 957 3HG2 VAL 116 3HG2 VAL 116 5.500 -12.301 17.342 958 HA PRO 117 HA PRO 117 3.685 -12.915 23.853 959 1HB PRO 117 1HB PRO 117 5.592 -13.437 25.745 960 2HB PRO 117 2HB PRO 117 4.853 -14.703 24.744 961 1HG PRO 117 1HG PRO 117 7.498 -13.372 24.463 962 2HG PRO 117 2HG PRO 117 7.050 -15.063 24.194 963 1HD PRO 117 1HD PRO 117 7.409 -13.252 22.182 964 2HD PRO 117 2HD PRO 117 6.347 -14.671 22.055 965 H CYS 118 H CYS 118 3.087 -10.820 24.476 966 HA CYS 118 HA CYS 118 5.178 -9.101 25.727 967 1HB CYS 118 1HB CYS 118 4.390 -7.201 24.321 968 2HB CYS 118 2HB CYS 118 5.064 -8.504 23.346 969 HG CYS 118 HG CYS 118 2.008 -7.887 23.587 970 H THR 119 H THR 119 3.309 -10.424 27.279 971 HA THR 119 HA THR 119 1.476 -8.204 28.085 972 HB THR 119 HB THR 119 0.620 -11.099 27.992 973 HG1 THR 119 HG1 THR 119 -0.093 -10.790 25.952 974 1HG2 THR 119 1HG2 THR 119 -0.664 -8.426 28.364 975 2HG2 THR 119 2HG2 THR 119 -0.965 -9.942 29.213 976 3HG2 THR 119 3HG2 THR 119 -1.602 -9.701 27.586 977 H VAL 120 H VAL 120 1.384 -7.972 30.356 978 HA VAL 120 HA VAL 120 2.420 -10.228 32.027 979 HB VAL 120 HB VAL 120 3.268 -7.309 32.127 980 1HG1 VAL 120 1HG1 VAL 120 3.676 -9.647 33.942 981 2HG1 VAL 120 2HG1 VAL 120 3.516 -7.935 34.336 982 3HG1 VAL 120 3HG1 VAL 120 5.039 -8.555 33.698 983 1HG2 VAL 120 1HG2 VAL 120 4.734 -9.831 31.285 984 2HG2 VAL 120 2HG2 VAL 120 5.499 -8.257 31.499 985 3HG2 VAL 120 3HG2 VAL 120 4.283 -8.483 30.242 986 1H GLN 1 1H GLN 1 2.473 -7.604 -22.957 987 2H GLN 1 2H GLN 1 1.173 -6.562 -23.287 988 3H GLN 1 3H GLN 1 1.025 -8.229 -23.582 989 HA GLN 1 HA GLN 1 -0.141 -7.549 -21.532 990 1HB GLN 1 1HB GLN 1 2.112 -9.483 -21.793 991 2HB GLN 1 2HB GLN 1 1.447 -9.257 -20.175 992 1HG GLN 1 1HG GLN 1 -0.862 -9.479 -21.496 993 2HG GLN 1 2HG GLN 1 0.152 -10.391 -22.615 994 1HE2 GLN 1 1HE2 GLN 1 0.029 -12.614 -22.127 995 2HE2 GLN 1 2HE2 GLN 1 -0.030 -13.248 -20.553 996 H LYS 2 H LYS 2 0.268 -7.013 -19.158 997 HA LYS 2 HA LYS 2 2.622 -5.171 -18.877 998 1HB LYS 2 1HB LYS 2 -0.264 -5.085 -18.034 999 2HB LYS 2 2HB LYS 2 0.933 -4.175 -17.112 1000 1HG LYS 2 1HG LYS 2 1.711 -3.248 -19.393 1001 2HG LYS 2 2HG LYS 2 0.183 -3.867 -20.018 1002 1HD LYS 2 1HD LYS 2 0.338 -2.056 -17.600 1003 2HD LYS 2 2HD LYS 2 0.149 -1.438 -19.242 1004 1HE LYS 2 1HE LYS 2 -2.018 -2.215 -19.431 1005 2HE LYS 2 2HE LYS 2 -1.716 -3.612 -18.379 1006 1HZ LYS 2 1HZ LYS 2 -3.049 -1.892 -17.265 1007 2HZ LYS 2 2HZ LYS 2 -1.780 -0.781 -17.473 1008 3HZ LYS 2 3HZ LYS 2 -1.564 -2.148 -16.487 1009 H THR 3 H THR 3 3.784 -7.245 -18.089 1010 HA THR 3 HA THR 3 3.291 -7.574 -15.160 1011 HB THR 3 HB THR 3 3.877 -9.906 -16.985 1012 HG1 THR 3 HG1 THR 3 1.718 -10.192 -17.257 1013 1HG2 THR 3 1HG2 THR 3 3.004 -9.461 -14.169 1014 2HG2 THR 3 2HG2 THR 3 4.108 -10.669 -14.826 1015 3HG2 THR 3 3HG2 THR 3 2.365 -10.877 -15.004 1016 H GLY 4 H GLY 4 5.265 -8.639 -14.086 1017 1HA GLY 4 1HA GLY 4 7.675 -9.365 -14.818 1018 2HA GLY 4 2HA GLY 4 7.740 -7.727 -15.473 1019 H THR 5 H THR 5 6.820 -9.333 -12.360 1020 HA THR 5 HA THR 5 8.178 -7.051 -10.956 1021 HB THR 5 HB THR 5 6.012 -8.844 -9.845 1022 HG1 THR 5 HG1 THR 5 4.971 -7.996 -11.531 1023 1HG2 THR 5 1HG2 THR 5 7.389 -7.315 -8.368 1024 2HG2 THR 5 2HG2 THR 5 5.650 -7.025 -8.320 1025 3HG2 THR 5 3HG2 THR 5 6.697 -5.957 -9.254 1026 H ALA 6 H ALA 6 9.457 -7.634 -9.042 1027 HA ALA 6 HA ALA 6 9.951 -10.555 -8.647 1028 1HB ALA 6 1HB ALA 6 12.309 -8.752 -8.661 1029 2HB ALA 6 2HB ALA 6 11.535 -8.997 -10.227 1030 3HB ALA 6 3HB ALA 6 12.139 -10.381 -9.316 1031 H GLU 7 H GLU 7 8.452 -9.357 -6.753 1032 HA GLU 7 HA GLU 7 8.357 -8.743 -4.480 1033 1HB GLU 7 1HB GLU 7 10.859 -10.296 -4.904 1034 2HB GLU 7 2HB GLU 7 10.762 -9.392 -3.393 1035 1HG GLU 7 1HG GLU 7 8.809 -10.532 -2.700 1036 2HG GLU 7 2HG GLU 7 8.482 -11.134 -4.325 1037 H VAL 8 H VAL 8 8.887 -6.580 -6.182 1038 HA VAL 8 HA VAL 8 11.265 -5.081 -5.614 1039 HB VAL 8 HB VAL 8 8.443 -4.100 -6.200 1040 1HG1 VAL 8 1HG1 VAL 8 11.081 -2.747 -5.939 1041 2HG1 VAL 8 2HG1 VAL 8 9.459 -2.109 -5.668 1042 3HG1 VAL 8 3HG1 VAL 8 10.084 -2.260 -7.311 1043 1HG2 VAL 8 1HG2 VAL 8 10.653 -5.241 -7.840 1044 2HG2 VAL 8 2HG2 VAL 8 9.796 -3.859 -8.524 1045 3HG2 VAL 8 3HG2 VAL 8 8.909 -5.322 -8.093 1046 H SER 9 H SER 9 8.131 -5.200 -3.858 1047 HA SER 9 HA SER 9 8.697 -3.143 -1.938 1048 1HB SER 9 1HB SER 9 6.477 -4.132 -2.170 1049 2HB SER 9 2HB SER 9 7.094 -5.719 -1.720 1050 HG SER 9 HG SER 9 6.773 -3.398 -0.142 1051 H SER 10 H SER 10 9.707 -6.579 -2.045 1052 HA SER 10 HA SER 10 10.746 -6.695 0.657 1053 1HB SER 10 1HB SER 10 10.312 -8.710 -0.661 1054 2HB SER 10 2HB SER 10 11.461 -8.194 -1.892 1055 HG SER 10 HG SER 10 13.109 -8.601 -0.535 1056 H ILE 11 H ILE 11 12.480 -6.227 -2.490 1057 HA ILE 11 HA ILE 11 15.031 -5.657 -1.309 1058 HB ILE 11 HB ILE 11 14.660 -6.164 -3.710 1059 1HG1 ILE 11 1HG1 ILE 11 15.853 -3.400 -3.557 1060 2HG1 ILE 11 2HG1 ILE 11 16.647 -4.772 -2.782 1061 1HG2 ILE 11 1HG2 ILE 11 13.926 -4.190 -5.159 1062 2HG2 ILE 11 2HG2 ILE 11 13.325 -3.452 -3.677 1063 3HG2 ILE 11 3HG2 ILE 11 12.659 -4.986 -4.231 1064 1HD1 ILE 11 1HD1 ILE 11 15.745 -5.170 -5.590 1065 2HD1 ILE 11 2HD1 ILE 11 17.197 -5.759 -4.780 1066 3HD1 ILE 11 3HD1 ILE 11 17.118 -4.091 -5.347 1067 H LEU 12 H LEU 12 12.199 -3.535 -1.808 1068 HA LEU 12 HA LEU 12 13.567 -1.027 -1.349 1069 1HB LEU 12 1HB LEU 12 11.152 -1.570 -2.220 1070 2HB LEU 12 2HB LEU 12 10.719 -1.569 -0.510 1071 HG LEU 12 HG LEU 12 11.948 0.713 -0.416 1072 1HD1 LEU 12 1HD1 LEU 12 11.221 0.853 -3.328 1073 2HD1 LEU 12 2HD1 LEU 12 12.796 0.213 -2.858 1074 3HD1 LEU 12 3HD1 LEU 12 12.344 1.858 -2.412 1075 1HD2 LEU 12 1HD2 LEU 12 9.403 0.186 -0.421 1076 2HD2 LEU 12 2HD2 LEU 12 9.444 0.720 -2.101 1077 3HD2 LEU 12 3HD2 LEU 12 9.904 1.831 -0.811 1078 H GLU 13 H GLU 13 12.050 -3.401 0.889 1079 HA GLU 13 HA GLU 13 12.207 -1.836 3.285 1080 1HB GLU 13 1HB GLU 13 11.031 -4.027 3.033 1081 2HB GLU 13 2HB GLU 13 12.597 -4.834 2.949 1082 1HG GLU 13 1HG GLU 13 12.947 -3.414 5.224 1083 2HG GLU 13 2HG GLU 13 11.200 -3.652 5.290 1084 H GLU 14 H GLU 14 14.674 -3.936 1.727 1085 HA GLU 14 HA GLU 14 16.660 -3.747 3.800 1086 1HB GLU 14 1HB GLU 14 16.696 -5.313 1.842 1087 2HB GLU 14 2HB GLU 14 17.070 -3.945 0.793 1088 1HG GLU 14 1HG GLU 14 19.137 -3.520 2.046 1089 2HG GLU 14 2HG GLU 14 18.760 -4.849 3.143 1090 H ARG 15 H ARG 15 15.967 -1.591 1.010 1091 HA ARG 15 HA ARG 15 18.252 0.130 1.320 1092 1HB ARG 15 1HB ARG 15 16.714 0.072 -0.648 1093 2HB ARG 15 2HB ARG 15 15.459 0.821 0.339 1094 1HG ARG 15 1HG ARG 15 16.925 2.774 0.719 1095 2HG ARG 15 2HG ARG 15 18.170 2.030 -0.285 1096 1HD ARG 15 1HD ARG 15 15.464 2.248 -1.513 1097 2HD ARG 15 2HD ARG 15 16.365 3.762 -1.302 1098 HE ARG 15 HE ARG 15 17.928 2.991 -2.902 1099 1HH1 ARG 15 1HH2 ARG 15 15.561 1.189 -3.779 1100 2HH1 ARG 15 2HH2 ARG 15 16.375 -0.331 -3.936 1101 1HH2 ARG 15 1HH1 ARG 15 19.188 0.693 -2.184 1102 2HH2 ARG 15 2HH1 ARG 15 18.429 -0.612 -3.033 1103 H ILE 16 H ILE 16 15.029 0.206 2.905 1104 HA ILE 16 HA ILE 16 15.667 2.733 4.285 1105 HB ILE 16 HB ILE 16 13.362 2.112 3.558 1106 1HG1 ILE 16 1HG1 ILE 16 13.586 2.336 6.571 1107 2HG1 ILE 16 2HG1 ILE 16 13.828 3.690 5.466 1108 1HG2 ILE 16 1HG2 ILE 16 13.213 -0.234 3.930 1109 2HG2 ILE 16 2HG2 ILE 16 12.148 0.484 5.134 1110 3HG2 ILE 16 3HG2 ILE 16 13.746 -0.083 5.603 1111 1HD1 ILE 16 1HD1 ILE 16 11.502 3.601 6.351 1112 2HD1 ILE 16 2HD1 ILE 16 11.307 2.012 5.613 1113 3HD1 ILE 16 3HD1 ILE 16 11.557 3.431 4.597 1114 H LEU 17 H LEU 17 15.782 -0.747 5.110 1115 HA LEU 17 HA LEU 17 16.980 0.049 7.742 1116 1HB LEU 17 1HB LEU 17 14.931 -2.040 6.995 1117 2HB LEU 17 2HB LEU 17 15.872 -2.179 8.481 1118 HG LEU 17 HG LEU 17 14.363 0.343 7.779 1119 1HD1 LEU 17 1HD1 LEU 17 12.420 -0.450 8.753 1120 2HD1 LEU 17 2HD1 LEU 17 13.274 -1.639 9.737 1121 3HD1 LEU 17 3HD1 LEU 17 13.011 -1.941 8.019 1122 1HD2 LEU 17 1HD2 LEU 17 14.418 0.266 10.440 1123 2HD2 LEU 17 2HD2 LEU 17 15.802 0.862 9.524 1124 3HD2 LEU 17 3HD2 LEU 17 15.803 -0.787 10.150 1125 H GLY 18 H GLY 18 16.564 -3.009 5.841 1126 1HA GLY 18 1HA GLY 18 18.153 -4.600 5.188 1127 2HA GLY 18 2HA GLY 18 19.307 -3.268 5.110 1128 H ALA 19 H ALA 19 17.610 -5.208 7.653 1129 HA ALA 19 HA ALA 19 20.242 -5.362 9.085 1130 1HB ALA 19 1HB ALA 19 19.280 -4.496 10.980 1131 2HB ALA 19 2HB ALA 19 17.731 -5.278 10.665 1132 3HB ALA 19 3HB ALA 19 18.151 -3.785 9.826 1133 H ASP 20 H ASP 20 19.100 -7.405 7.316 1134 HA ASP 20 HA ASP 20 18.850 -9.607 9.298 1135 1HB ASP 20 1HB ASP 20 16.744 -8.566 7.453 1136 2HB ASP 20 2HB ASP 20 16.842 -10.315 7.664 1137 H THR 21 H THR 21 20.769 -10.636 8.508 1138 HA THR 21 HA THR 21 20.615 -11.602 5.676 1139 HB THR 21 HB THR 21 23.216 -11.230 5.846 1140 HG1 THR 21 HG1 THR 21 23.411 -10.614 7.929 1141 1HG2 THR 21 1HG2 THR 21 22.804 -8.754 5.222 1142 2HG2 THR 21 2HG2 THR 21 21.096 -9.124 5.457 1143 3HG2 THR 21 3HG2 THR 21 22.025 -9.988 4.232 1144 H SER 22 H SER 22 21.383 -13.769 5.405 1145 HA SER 22 HA SER 22 22.646 -15.093 7.763 1146 1HB SER 22 1HB SER 22 20.943 -16.816 7.750 1147 2HB SER 22 2HB SER 22 20.121 -15.259 7.810 1148 HG SER 22 HG SER 22 19.284 -16.753 6.223 1149 H VAL 23 H VAL 23 24.045 -14.437 5.403 1150 HA VAL 23 HA VAL 23 25.320 -15.397 3.666 1151 HB VAL 23 HB VAL 23 24.649 -17.859 5.318 1152 1HG1 VAL 23 1HG1 VAL 23 26.897 -17.324 3.350 1153 2HG1 VAL 23 2HG1 VAL 23 25.565 -18.457 3.119 1154 3HG1 VAL 23 3HG1 VAL 23 26.767 -18.753 4.376 1155 1HG2 VAL 23 1HG2 VAL 23 27.268 -16.453 5.505 1156 2HG2 VAL 23 2HG2 VAL 23 26.331 -17.256 6.765 1157 3HG2 VAL 23 3HG2 VAL 23 25.884 -15.636 6.231 1158 H ASP 24 H ASP 24 23.411 -14.877 2.155 1159 HA ASP 24 HA ASP 24 22.342 -17.423 1.001 1160 1HB ASP 24 1HB ASP 24 20.804 -16.013 2.602 1161 2HB ASP 24 2HB ASP 24 20.663 -14.933 1.214 1162 H LEU 25 H LEU 25 23.256 -17.419 -1.073 1163 HA LEU 25 HA LEU 25 23.066 -14.867 -2.638 1164 1HB LEU 25 1HB LEU 25 25.364 -15.718 -1.608 1165 2HB LEU 25 2HB LEU 25 25.334 -16.794 -3.006 1166 HG LEU 25 HG LEU 25 24.753 -13.888 -3.431 1167 1HD1 LEU 25 1HD1 LEU 25 26.775 -13.864 -2.043 1168 2HD1 LEU 25 2HD1 LEU 25 27.186 -13.468 -3.711 1169 3HD1 LEU 25 3HD1 LEU 25 27.521 -15.081 -3.079 1170 1HD2 LEU 25 1HD2 LEU 25 25.901 -16.207 -4.975 1171 2HD2 LEU 25 2HD2 LEU 25 26.183 -14.551 -5.514 1172 3HD2 LEU 25 3HD2 LEU 25 24.536 -15.170 -5.391 Start of MODEL 2 1 1H PHE 1 1H PHE 1 -8.768 -35.385 11.393 2 2H PHE 1 2H PHE 1 -10.375 -35.884 11.630 3 3H PHE 1 3H PHE 1 -9.475 -36.499 10.327 4 HA PHE 1 HA PHE 1 -9.513 -38.206 11.964 5 1HB PHE 1 1HB PHE 1 -7.344 -37.235 10.759 6 2HB PHE 1 2HB PHE 1 -6.867 -36.875 12.420 7 HD1 PHE 1 HD1 PHE 1 -6.958 -38.775 14.143 8 HD2 PHE 1 HD2 PHE 1 -7.165 -39.430 9.903 9 HE1 PHE 1 HE1 PHE 1 -6.327 -41.149 14.479 10 HE2 PHE 1 HE2 PHE 1 -6.534 -41.804 10.238 11 HZ PHE 1 HZ PHE 1 -6.115 -42.665 12.526 12 H ALA 2 H ALA 2 -7.981 -35.270 13.447 13 HA ALA 2 HA ALA 2 -9.428 -35.902 15.982 14 1HB ALA 2 1HB ALA 2 -6.931 -35.169 16.852 15 2HB ALA 2 2HB ALA 2 -6.540 -36.055 15.377 16 3HB ALA 2 3HB ALA 2 -7.459 -36.841 16.660 17 H LYS 3 H LYS 3 -6.867 -33.587 14.884 18 HA LYS 3 HA LYS 3 -8.695 -31.363 15.740 19 1HB LYS 3 1HB LYS 3 -6.410 -32.091 16.947 20 2HB LYS 3 2HB LYS 3 -5.723 -31.067 15.688 21 1HG LYS 3 1HG LYS 3 -6.133 -29.421 17.232 22 2HG LYS 3 2HG LYS 3 -7.737 -29.465 16.498 23 1HD LYS 3 1HD LYS 3 -8.676 -30.613 18.278 24 2HD LYS 3 2HD LYS 3 -7.146 -31.363 18.736 25 1HE LYS 3 1HE LYS 3 -7.365 -29.766 20.431 26 2HE LYS 3 2HE LYS 3 -6.456 -28.829 19.227 27 1HZ LYS 3 1HZ LYS 3 -8.457 -27.926 18.361 28 2HZ LYS 3 2HZ LYS 3 -8.526 -27.722 20.046 29 3HZ LYS 3 3HZ LYS 3 -9.419 -28.959 19.299 30 H LEU 4 H LEU 4 -9.376 -30.239 13.903 31 HA LEU 4 HA LEU 4 -7.331 -29.627 11.813 32 1HB LEU 4 1HB LEU 4 -9.773 -31.295 11.641 33 2HB LEU 4 2HB LEU 4 -9.584 -30.122 10.338 34 HG LEU 4 HG LEU 4 -7.359 -31.986 11.192 35 1HD1 LEU 4 1HD1 LEU 4 -8.029 -33.199 9.021 36 2HD1 LEU 4 2HD1 LEU 4 -9.570 -32.353 9.165 37 3HD1 LEU 4 3HD1 LEU 4 -9.052 -33.467 10.431 38 1HD2 LEU 4 1HD2 LEU 4 -7.877 -30.315 8.711 39 2HD2 LEU 4 2HD2 LEU 4 -6.513 -31.413 8.915 40 3HD2 LEU 4 3HD2 LEU 4 -6.663 -29.993 9.948 41 H VAL 5 H VAL 5 -7.546 -27.493 11.043 42 HA VAL 5 HA VAL 5 -9.952 -25.969 11.997 43 HB VAL 5 HB VAL 5 -7.114 -25.076 11.373 44 1HG1 VAL 5 1HG1 VAL 5 -8.844 -23.330 10.984 45 2HG1 VAL 5 2HG1 VAL 5 -7.798 -22.934 12.347 46 3HG1 VAL 5 3HG1 VAL 5 -9.422 -23.562 12.634 47 1HG2 VAL 5 1HG2 VAL 5 -7.434 -26.510 13.435 48 2HG2 VAL 5 2HG2 VAL 5 -8.525 -25.269 14.051 49 3HG2 VAL 5 3HG2 VAL 5 -6.828 -24.888 13.766 50 H ARG 6 H ARG 6 -7.492 -25.902 9.328 51 HA ARG 6 HA ARG 6 -7.731 -25.301 7.061 52 1HB ARG 6 1HB ARG 6 -9.203 -27.355 7.365 53 2HB ARG 6 2HB ARG 6 -10.575 -26.254 7.504 54 1HG ARG 6 1HG ARG 6 -10.322 -25.474 5.284 55 2HG ARG 6 2HG ARG 6 -8.684 -26.116 5.156 56 1HD ARG 6 1HD ARG 6 -9.829 -28.443 5.547 57 2HD ARG 6 2HD ARG 6 -11.302 -27.599 5.026 58 HE ARG 6 HE ARG 6 -10.318 -27.272 2.868 59 1HH1 ARG 6 1HH1 ARG 6 -9.269 -30.044 3.294 60 2HH1 ARG 6 2HH1 ARG 6 -7.583 -29.853 2.947 61 1HH2 ARG 6 1HH2 ARG 6 -7.647 -26.397 3.225 62 2HH2 ARG 6 2HH2 ARG 6 -6.665 -27.787 2.907 63 HA PRO 7 HA PRO 7 -9.801 -21.320 8.058 64 1HB PRO 7 1HB PRO 7 -7.934 -19.729 6.845 65 2HB PRO 7 2HB PRO 7 -7.765 -20.315 8.512 66 1HG PRO 7 1HG PRO 7 -6.488 -21.311 6.018 67 2HG PRO 7 2HG PRO 7 -5.818 -21.164 7.651 68 1HD PRO 7 1HD PRO 7 -6.685 -23.520 6.569 69 2HD PRO 7 2HD PRO 7 -6.653 -23.185 8.313 70 HA PRO 8 HA PRO 8 -11.590 -20.810 4.061 71 1HB PRO 8 1HB PRO 8 -12.183 -18.141 3.955 72 2HB PRO 8 2HB PRO 8 -13.081 -19.293 4.963 73 1HG PRO 8 1HG PRO 8 -10.989 -17.333 5.734 74 2HG PRO 8 2HG PRO 8 -12.426 -17.860 6.618 75 1HD PRO 8 1HD PRO 8 -9.877 -18.741 7.140 76 2HD PRO 8 2HD PRO 8 -11.355 -19.636 7.554 77 H VAL 9 H VAL 9 -9.248 -18.128 4.732 78 HA VAL 9 HA VAL 9 -7.922 -18.715 2.138 79 HB VAL 9 HB VAL 9 -8.141 -16.316 1.477 80 1HG1 VAL 9 1HG1 VAL 9 -9.805 -18.162 0.830 81 2HG1 VAL 9 2HG1 VAL 9 -10.364 -16.498 0.660 82 3HG1 VAL 9 3HG1 VAL 9 -10.876 -17.463 2.044 83 1HG2 VAL 9 1HG2 VAL 9 -9.982 -16.196 3.888 84 2HG2 VAL 9 2HG2 VAL 9 -9.799 -14.918 2.688 85 3HG2 VAL 9 3HG2 VAL 9 -8.441 -15.358 3.723 86 H GLN 10 H GLN 10 -5.682 -18.366 2.309 87 HA GLN 10 HA GLN 10 -4.663 -16.484 4.373 88 1HB GLN 10 1HB GLN 10 -5.041 -19.173 4.918 89 2HB GLN 10 2HB GLN 10 -3.348 -19.121 4.429 90 1HG GLN 10 1HG GLN 10 -3.200 -17.064 6.032 91 2HG GLN 10 2HG GLN 10 -4.693 -17.703 6.719 92 1HE2 GLN 10 1HE2 GLN 10 -2.064 -17.636 8.113 93 2HE2 GLN 10 2HE2 GLN 10 -1.655 -19.254 8.422 94 H ILE 11 H ILE 11 -3.312 -15.229 3.045 95 HA ILE 11 HA ILE 11 -1.605 -14.692 1.515 96 HB ILE 11 HB ILE 11 -0.765 -17.505 2.280 97 1HG1 ILE 11 1HG1 ILE 11 0.813 -15.960 3.754 98 2HG1 ILE 11 2HG1 ILE 11 -0.509 -14.807 3.568 99 1HG2 ILE 11 1HG2 ILE 11 1.528 -16.214 1.819 100 2HG2 ILE 11 2HG2 ILE 11 0.489 -15.288 0.735 101 3HG2 ILE 11 3HG2 ILE 11 0.650 -17.031 0.527 102 1HD1 ILE 11 1HD1 ILE 11 -1.286 -17.582 4.289 103 2HD1 ILE 11 2HD1 ILE 11 -1.949 -16.046 4.847 104 3HD1 ILE 11 3HD1 ILE 11 -0.446 -16.661 5.537 105 H TYR 12 H TYR 12 -2.554 -14.518 -0.545 106 HA TYR 12 HA TYR 12 -2.344 -16.859 -2.355 107 1HB TYR 12 1HB TYR 12 -4.913 -16.188 -2.934 108 2HB TYR 12 2HB TYR 12 -4.510 -17.430 -1.754 109 HD1 TYR 12 HD1 TYR 12 -5.870 -14.046 -2.233 110 HD2 TYR 12 HD2 TYR 12 -4.524 -16.919 0.654 111 HE1 TYR 12 HE1 TYR 12 -6.911 -12.719 -0.414 112 HE2 TYR 12 HE2 TYR 12 -5.527 -15.597 2.463 113 HH TYR 12 HH TYR 12 -7.767 -13.661 2.294 114 H GLY 13 H GLY 13 -0.823 -15.337 -3.486 115 1HA GLY 13 1HA GLY 13 -1.133 -14.174 -5.708 116 2HA GLY 13 2HA GLY 13 -2.284 -13.131 -4.870 117 H ILE 14 H ILE 14 0.853 -13.241 -5.957 118 HA ILE 14 HA ILE 14 2.581 -12.231 -4.011 119 HB ILE 14 HB ILE 14 3.205 -12.597 -6.365 120 1HG1 ILE 14 1HG1 ILE 14 4.609 -10.602 -6.719 121 2HG1 ILE 14 2HG1 ILE 14 3.637 -9.698 -5.560 122 1HG2 ILE 14 1HG2 ILE 14 2.394 -11.327 -8.151 123 2HG2 ILE 14 2HG2 ILE 14 1.934 -9.978 -7.113 124 3HG2 ILE 14 3HG2 ILE 14 0.965 -11.451 -7.125 125 1HD1 ILE 14 1HD1 ILE 14 4.690 -12.250 -4.523 126 2HD1 ILE 14 2HD1 ILE 14 4.659 -10.654 -3.772 127 3HD1 ILE 14 3HD1 ILE 14 5.930 -11.061 -4.924 128 H GLU 15 H GLU 15 -0.102 -10.418 -5.550 129 HA GLU 15 HA GLU 15 0.517 -7.778 -4.716 130 1HB GLU 15 1HB GLU 15 -1.925 -9.331 -5.372 131 2HB GLU 15 2HB GLU 15 -2.206 -7.915 -4.364 132 1HG GLU 15 1HG GLU 15 -1.084 -6.478 -5.975 133 2HG GLU 15 2HG GLU 15 -0.639 -7.875 -6.956 134 H GLY 16 H GLY 16 -0.824 -10.488 -2.783 135 1HA GLY 16 1HA GLY 16 -1.399 -8.871 -0.451 136 2HA GLY 16 2HA GLY 16 -1.218 -10.628 -0.465 137 H ARG 17 H ARG 17 1.460 -10.755 -1.535 138 HA ARG 17 HA ARG 17 3.048 -10.491 0.828 139 1HB ARG 17 1HB ARG 17 3.409 -11.686 -1.545 140 2HB ARG 17 2HB ARG 17 4.337 -10.219 -1.860 141 1HG ARG 17 1HG ARG 17 4.802 -11.593 0.745 142 2HG ARG 17 2HG ARG 17 5.445 -12.368 -0.704 143 1HD ARG 17 1HD ARG 17 6.758 -10.434 -1.266 144 2HD ARG 17 2HD ARG 17 5.937 -9.447 -0.040 145 HE ARG 17 HE ARG 17 6.954 -10.949 1.687 146 1HH1 ARG 17 1HH1 ARG 17 7.782 -12.361 -1.190 147 2HH1 ARG 17 2HH1 ARG 17 9.490 -12.404 -0.906 148 1HH2 ARG 17 1HH2 ARG 17 9.339 -10.405 1.923 149 2HH2 ARG 17 2HH2 ARG 17 10.371 -11.296 0.856 150 H TYR 18 H TYR 18 2.331 -8.078 -1.705 151 HA TYR 18 HA TYR 18 4.410 -6.203 -1.233 152 1HB TYR 18 1HB TYR 18 1.610 -6.133 -2.204 153 2HB TYR 18 2HB TYR 18 2.194 -4.601 -1.573 154 HD1 TYR 18 HD1 TYR 18 3.913 -7.358 -3.461 155 HD2 TYR 18 HD2 TYR 18 2.749 -3.224 -3.358 156 HE1 TYR 18 HE1 TYR 18 5.142 -6.958 -5.578 157 HE2 TYR 18 HE2 TYR 18 3.977 -2.823 -5.470 158 HH TYR 18 HH TYR 18 6.259 -4.567 -6.629 159 H ALA 19 H ALA 19 1.423 -6.782 0.673 160 HA ALA 19 HA ALA 19 1.949 -4.555 2.511 161 1HB ALA 19 1HB ALA 19 0.284 -6.129 3.918 162 2HB ALA 19 2HB ALA 19 0.044 -6.858 2.329 163 3HB ALA 19 3HB ALA 19 -0.293 -5.144 2.573 164 H THR 20 H THR 20 2.621 -8.091 2.538 165 HA THR 20 HA THR 20 3.738 -7.988 5.225 166 HB THR 20 HB THR 20 4.742 -10.265 3.901 167 HG1 THR 20 HG1 THR 20 2.866 -11.012 2.848 168 1HG2 THR 20 1HG2 THR 20 2.232 -9.831 5.543 169 2HG2 THR 20 2HG2 THR 20 3.837 -10.190 6.179 170 3HG2 THR 20 3HG2 THR 20 2.971 -11.403 5.234 171 H ALA 21 H ALA 21 5.126 -7.709 1.947 172 HA ALA 21 HA ALA 21 7.877 -7.772 2.970 173 1HB ALA 21 1HB ALA 21 8.295 -6.785 0.602 174 2HB ALA 21 2HB ALA 21 6.563 -7.006 0.351 175 3HB ALA 21 3HB ALA 21 7.591 -8.399 0.688 176 H LEU 22 H LEU 22 5.368 -5.335 2.886 177 HA LEU 22 HA LEU 22 7.398 -3.149 3.176 178 1HB LEU 22 1HB LEU 22 5.477 -2.833 1.619 179 2HB LEU 22 2HB LEU 22 4.362 -3.105 2.958 180 HG LEU 22 HG LEU 22 6.010 -1.145 3.983 181 1HD1 LEU 22 1HD1 LEU 22 7.196 -0.544 2.067 182 2HD1 LEU 22 2HD1 LEU 22 5.838 0.579 2.010 183 3HD1 LEU 22 3HD1 LEU 22 5.831 -0.865 0.998 184 1HD2 LEU 22 1HD2 LEU 22 3.315 -1.241 2.721 185 2HD2 LEU 22 2HD2 LEU 22 4.004 0.360 2.986 186 3HD2 LEU 22 3HD2 LEU 22 3.779 -0.741 4.346 187 H TYR 23 H TYR 23 4.575 -4.613 4.868 188 HA TYR 23 HA TYR 23 5.147 -3.074 7.269 189 1HB TYR 23 1HB TYR 23 3.049 -3.704 7.779 190 2HB TYR 23 2HB TYR 23 2.972 -4.520 6.232 191 HD1 TYR 23 HD1 TYR 23 2.532 -6.806 6.174 192 HD2 TYR 23 HD2 TYR 23 4.126 -5.054 9.742 193 HE1 TYR 23 HE1 TYR 23 2.337 -8.971 7.316 194 HE2 TYR 23 HE2 TYR 23 3.890 -7.211 10.921 195 HH TYR 23 HH TYR 23 3.850 -9.854 9.900 196 H SER 24 H SER 24 6.523 -6.002 5.884 197 HA SER 24 HA SER 24 7.254 -7.483 8.205 198 1HB SER 24 1HB SER 24 9.437 -7.856 6.761 199 2HB SER 24 2HB SER 24 7.890 -8.433 6.147 200 HG SER 24 HG SER 24 9.179 -7.155 4.647 201 H ALA 25 H ALA 25 8.642 -4.454 6.881 202 HA ALA 25 HA ALA 25 10.737 -4.284 8.944 203 1HB ALA 25 1HB ALA 25 10.273 -3.078 6.498 204 2HB ALA 25 2HB ALA 25 11.427 -2.483 7.691 205 3HB ALA 25 3HB ALA 25 9.801 -1.804 7.623 206 H ALA 26 H ALA 26 7.464 -2.908 8.338 207 HA ALA 26 HA ALA 26 7.263 -1.220 10.645 208 1HB ALA 26 1HB ALA 26 5.172 -2.926 9.239 209 2HB ALA 26 2HB ALA 26 5.587 -1.257 8.852 210 3HB ALA 26 3HB ALA 26 4.793 -1.636 10.378 211 H SER 27 H SER 27 6.671 -4.755 10.323 212 HA SER 27 HA SER 27 5.574 -5.301 12.902 213 1HB SER 27 1HB SER 27 7.307 -7.435 12.342 214 2HB SER 27 2HB SER 27 5.639 -7.297 11.808 215 HG SER 27 HG SER 27 7.762 -7.376 10.294 216 H LYS 28 H LYS 28 9.020 -5.020 11.893 217 HA LYS 28 HA LYS 28 10.130 -5.590 14.517 218 1HB LYS 28 1HB LYS 28 11.182 -5.406 12.062 219 2HB LYS 28 2HB LYS 28 11.507 -3.753 12.582 220 1HG LYS 28 1HG LYS 28 13.052 -4.401 14.141 221 2HG LYS 28 2HG LYS 28 12.180 -5.882 14.539 222 1HD LYS 28 1HD LYS 28 12.890 -6.752 12.242 223 2HD LYS 28 2HD LYS 28 13.993 -5.377 12.172 224 1HE LYS 28 1HE LYS 28 14.020 -7.113 14.624 225 2HE LYS 28 2HE LYS 28 14.849 -7.674 13.158 226 1HZ LYS 28 1HZ LYS 28 16.011 -5.575 13.029 227 2HZ LYS 28 2HZ LYS 28 16.299 -6.287 14.543 228 3HZ LYS 28 3HZ LYS 28 15.201 -4.997 14.402 229 H GLN 29 H GLN 29 9.173 -2.546 12.857 230 HA GLN 29 HA GLN 29 9.979 -0.914 15.186 231 1HB GLN 29 1HB GLN 29 8.689 -0.401 12.506 232 2HB GLN 29 2HB GLN 29 8.783 0.874 13.722 233 1HG GLN 29 1HG GLN 29 11.319 0.116 13.849 234 2HG GLN 29 2HG GLN 29 10.993 -0.479 12.220 235 1HE2 GLN 29 1HE2 GLN 29 9.985 1.228 10.663 236 2HE2 GLN 29 2HE2 GLN 29 10.473 2.839 10.871 237 H ASN 30 H ASN 30 7.264 -2.901 14.647 238 HA ASN 30 HA ASN 30 5.224 -3.068 15.782 239 1HB ASN 30 1HB ASN 30 6.851 -2.172 17.637 240 2HB ASN 30 2HB ASN 30 6.007 -0.642 17.396 241 1HD2 ASN 30 1HD2 ASN 30 4.413 -0.445 19.022 242 2HD2 ASN 30 2HD2 ASN 30 3.399 -1.710 19.523 243 H LYS 31 H LYS 31 5.355 -1.607 13.323 244 HA LYS 31 HA LYS 31 3.513 0.698 13.836 245 1HB LYS 31 1HB LYS 31 5.247 -0.062 11.465 246 2HB LYS 31 2HB LYS 31 4.234 1.375 11.546 247 1HG LYS 31 1HG LYS 31 6.336 0.772 13.628 248 2HG LYS 31 2HG LYS 31 6.692 1.701 12.172 249 1HD LYS 31 1HD LYS 31 4.584 3.098 12.882 250 2HD LYS 31 2HD LYS 31 4.899 2.411 14.476 251 1HE LYS 31 1HE LYS 31 7.417 3.195 13.789 252 2HE LYS 31 2HE LYS 31 6.450 4.435 12.965 253 1HZ LYS 31 1HZ LYS 31 6.101 3.599 15.796 254 2HZ LYS 31 2HZ LYS 31 5.223 4.813 14.994 255 3HZ LYS 31 3HZ LYS 31 6.883 5.019 15.295 256 H LEU 32 H LEU 32 2.947 -2.465 13.425 257 HA LEU 32 HA LEU 32 1.505 -2.968 11.058 258 1HB LEU 32 1HB LEU 32 1.300 -3.800 13.940 259 2HB LEU 32 2HB LEU 32 -0.000 -4.278 12.854 260 HG LEU 32 HG LEU 32 1.968 -5.925 13.130 261 1HD1 LEU 32 1HD1 LEU 32 1.482 -6.776 11.043 262 2HD1 LEU 32 2HD1 LEU 32 1.613 -5.204 10.252 263 3HD1 LEU 32 3HD1 LEU 32 0.181 -5.602 11.199 264 1HD2 LEU 32 1HD2 LEU 32 3.302 -3.893 11.306 265 2HD2 LEU 32 2HD2 LEU 32 3.919 -5.495 11.676 266 3HD2 LEU 32 3HD2 LEU 32 3.807 -4.299 12.944 267 H GLU 33 H GLU 33 0.438 -1.096 13.932 268 HA GLU 33 HA GLU 33 -2.276 -0.687 12.866 269 1HB GLU 33 1HB GLU 33 -1.565 -0.585 15.317 270 2HB GLU 33 2HB GLU 33 -0.779 0.950 14.948 271 1HG GLU 33 1HG GLU 33 -2.825 1.787 15.561 272 2HG GLU 33 2HG GLU 33 -3.203 1.439 13.874 273 H GLN 34 H GLN 34 0.761 1.229 13.016 274 HA GLN 34 HA GLN 34 -0.197 3.596 11.706 275 1HB GLN 34 1HB GLN 34 2.503 2.241 11.815 276 2HB GLN 34 2HB GLN 34 2.268 3.823 11.077 277 1HG GLN 34 1HG GLN 34 1.051 3.607 13.745 278 2HG GLN 34 2HG GLN 34 2.798 3.364 13.760 279 1HE2 GLN 34 1HE2 GLN 34 0.450 5.629 12.133 280 2HE2 GLN 34 2HE2 GLN 34 1.414 7.003 12.383 281 H VAL 35 H VAL 35 0.737 0.427 10.353 282 HA VAL 35 HA VAL 35 0.496 1.578 7.605 283 HB VAL 35 HB VAL 35 1.255 -1.271 8.237 284 1HG1 VAL 35 1HG1 VAL 35 0.995 -0.587 5.902 285 2HG1 VAL 35 2HG1 VAL 35 2.688 -0.942 6.246 286 3HG1 VAL 35 3HG1 VAL 35 2.139 0.732 6.145 287 1HG2 VAL 35 1HG2 VAL 35 2.947 -0.534 9.588 288 2HG2 VAL 35 2HG2 VAL 35 2.774 1.136 9.046 289 3HG2 VAL 35 3HG2 VAL 35 3.705 -0.012 8.086 290 H GLU 36 H GLU 36 -0.867 -1.084 9.637 291 HA GLU 36 HA GLU 36 -2.675 -2.080 7.624 292 1HB GLU 36 1HB GLU 36 -1.958 -3.130 9.859 293 2HB GLU 36 2HB GLU 36 -3.188 -2.112 10.606 294 1HG GLU 36 1HG GLU 36 -4.107 -3.601 8.223 295 2HG GLU 36 2HG GLU 36 -3.662 -4.615 9.595 296 H LYS 37 H LYS 37 -2.942 0.784 9.710 297 HA LYS 37 HA LYS 37 -5.855 0.978 9.131 298 1HB LYS 37 1HB LYS 37 -4.878 1.446 11.408 299 2HB LYS 37 2HB LYS 37 -4.030 2.826 10.709 300 1HG LYS 37 1HG LYS 37 -5.935 3.904 11.436 301 2HG LYS 37 2HG LYS 37 -6.488 3.410 9.835 302 1HD LYS 37 1HD LYS 37 -7.884 1.785 10.665 303 2HD LYS 37 2HD LYS 37 -6.833 1.439 12.039 304 1HE LYS 37 1HE LYS 37 -7.526 3.603 13.079 305 2HE LYS 37 2HE LYS 37 -8.658 3.850 11.735 306 1HZ LYS 37 1HZ LYS 37 -8.600 1.418 13.441 307 2HZ LYS 37 2HZ LYS 37 -9.747 1.801 12.246 308 3HZ LYS 37 3HZ LYS 37 -9.670 2.712 13.678 309 H GLU 38 H GLU 38 -2.799 2.727 8.404 310 HA GLU 38 HA GLU 38 -4.214 4.752 6.801 311 1HB GLU 38 1HB GLU 38 -1.385 4.046 7.503 312 2HB GLU 38 2HB GLU 38 -1.642 5.011 6.056 313 1HG GLU 38 1HG GLU 38 -1.429 6.620 7.774 314 2HG GLU 38 2HG GLU 38 -3.168 6.484 7.524 315 H LEU 39 H LEU 39 -2.280 1.788 6.121 316 HA LEU 39 HA LEU 39 -2.442 1.929 3.249 317 1HB LEU 39 1HB LEU 39 -1.001 0.358 4.568 318 2HB LEU 39 2HB LEU 39 -2.449 -0.539 5.028 319 HG LEU 39 HG LEU 39 -2.933 -0.933 2.614 320 1HD1 LEU 39 1HD1 LEU 39 -0.993 -0.501 1.033 321 2HD1 LEU 39 2HD1 LEU 39 -0.280 0.499 2.299 322 3HD1 LEU 39 3HD1 LEU 39 -1.832 0.945 1.591 323 1HD2 LEU 39 1HD2 LEU 39 -0.847 -2.420 2.235 324 2HD2 LEU 39 2HD2 LEU 39 -1.813 -2.729 3.679 325 3HD2 LEU 39 3HD2 LEU 39 -0.305 -1.825 3.804 326 H LEU 40 H LEU 40 -4.784 0.714 5.696 327 HA LEU 40 HA LEU 40 -6.603 -0.586 3.896 328 1HB LEU 40 1HB LEU 40 -6.527 -0.345 6.530 329 2HB LEU 40 2HB LEU 40 -7.577 1.041 6.236 330 HG LEU 40 HG LEU 40 -8.255 -1.497 4.827 331 1HD1 LEU 40 1HD1 LEU 40 -9.019 -1.071 7.723 332 2HD1 LEU 40 2HD1 LEU 40 -7.647 -2.073 7.247 333 3HD1 LEU 40 3HD1 LEU 40 -9.277 -2.507 6.732 334 1HD2 LEU 40 1HD2 LEU 40 -10.524 -0.682 5.226 335 2HD2 LEU 40 2HD2 LEU 40 -9.541 0.635 4.584 336 3HD2 LEU 40 3HD2 LEU 40 -9.913 0.571 6.306 337 H ARG 41 H ARG 41 -6.271 2.883 4.769 338 HA ARG 41 HA ARG 41 -8.650 3.874 3.540 339 1HB ARG 41 1HB ARG 41 -6.706 5.020 4.929 340 2HB ARG 41 2HB ARG 41 -6.048 5.371 3.331 341 1HG ARG 41 1HG ARG 41 -7.381 7.233 3.566 342 2HG ARG 41 2HG ARG 41 -8.585 6.131 2.898 343 1HD ARG 41 1HD ARG 41 -9.770 6.775 4.769 344 2HD ARG 41 2HD ARG 41 -8.789 5.514 5.545 345 HE ARG 41 HE ARG 41 -8.312 8.429 5.733 346 1HH1 ARG 41 1HH1 ARG 41 -5.728 6.941 5.230 347 2HH1 ARG 41 2HH1 ARG 41 -5.201 6.603 6.845 348 1HH2 ARG 41 1HH2 ARG 41 -8.297 7.245 8.271 349 2HH2 ARG 41 2HH2 ARG 41 -6.656 6.774 8.567 350 H VAL 42 H VAL 42 -5.465 3.090 2.071 351 HA VAL 42 HA VAL 42 -5.956 4.172 -0.538 352 HB VAL 42 HB VAL 42 -4.380 1.710 0.317 353 1HG1 VAL 42 1HG1 VAL 42 -3.060 2.603 -1.840 354 2HG1 VAL 42 2HG1 VAL 42 -4.677 3.145 -2.286 355 3HG1 VAL 42 3HG1 VAL 42 -4.374 1.435 -1.976 356 1HG2 VAL 42 1HG2 VAL 42 -3.805 4.657 0.196 357 2HG2 VAL 42 2HG2 VAL 42 -2.492 3.504 -0.042 358 3HG2 VAL 42 3HG2 VAL 42 -3.408 3.498 1.465 359 H GLY 43 H GLY 43 -6.869 0.986 0.865 360 1HA GLY 43 1HA GLY 43 -7.938 -0.096 -1.577 361 2HA GLY 43 2HA GLY 43 -8.334 -0.655 0.050 362 H GLN 44 H GLN 44 -9.477 1.627 1.191 363 HA GLN 44 HA GLN 44 -12.160 1.581 0.156 364 1HB GLN 44 1HB GLN 44 -11.064 2.392 2.459 365 2HB GLN 44 2HB GLN 44 -11.146 3.966 1.666 366 1HG GLN 44 1HG GLN 44 -13.595 3.372 1.131 367 2HG GLN 44 2HG GLN 44 -13.416 2.087 2.325 368 1HE2 GLN 44 1HE2 GLN 44 -13.893 2.706 4.471 369 2HE2 GLN 44 2HE2 GLN 44 -13.859 4.308 5.032 370 H ILE 45 H ILE 45 -9.453 3.873 -0.413 371 HA ILE 45 HA ILE 45 -10.907 5.864 -1.880 372 HB ILE 45 HB ILE 45 -8.041 4.852 -2.099 373 1HG1 ILE 45 1HG1 ILE 45 -8.917 7.443 -0.854 374 2HG1 ILE 45 2HG1 ILE 45 -9.088 5.944 0.058 375 1HG2 ILE 45 1HG2 ILE 45 -9.291 6.472 -3.978 376 2HG2 ILE 45 2HG2 ILE 45 -7.558 6.411 -3.676 377 3HG2 ILE 45 3HG2 ILE 45 -8.544 7.640 -2.890 378 1HD1 ILE 45 1HD1 ILE 45 -6.473 6.284 -1.277 379 2HD1 ILE 45 2HD1 ILE 45 -6.841 5.719 0.353 380 3HD1 ILE 45 3HD1 ILE 45 -6.807 7.447 0.005 381 H LEU 46 H LEU 46 -9.330 2.835 -3.021 382 HA LEU 46 HA LEU 46 -10.042 3.263 -5.811 383 1HB LEU 46 1HB LEU 46 -8.299 1.654 -4.619 384 2HB LEU 46 2HB LEU 46 -9.655 0.529 -4.613 385 HG LEU 46 HG LEU 46 -8.278 0.209 -6.618 386 1HD1 LEU 46 1HD1 LEU 46 -10.041 0.054 -8.138 387 2HD1 LEU 46 2HD1 LEU 46 -10.756 1.579 -7.615 388 3HD1 LEU 46 3HD1 LEU 46 -10.902 0.145 -6.600 389 1HD2 LEU 46 1HD2 LEU 46 -7.823 1.925 -8.179 390 2HD2 LEU 46 2HD2 LEU 46 -7.592 2.712 -6.617 391 3HD2 LEU 46 3HD2 LEU 46 -9.082 2.972 -7.524 392 H LYS 47 H LYS 47 -11.658 1.578 -3.094 393 HA LYS 47 HA LYS 47 -13.788 0.487 -4.791 394 1HB LYS 47 1HB LYS 47 -13.067 -0.547 -2.644 395 2HB LYS 47 2HB LYS 47 -13.624 0.884 -1.779 396 1HG LYS 47 1HG LYS 47 -15.838 0.215 -3.292 397 2HG LYS 47 2HG LYS 47 -15.175 -1.365 -2.875 398 1HD LYS 47 1HD LYS 47 -15.303 0.645 -0.683 399 2HD LYS 47 2HD LYS 47 -16.840 -0.019 -1.240 400 1HE LYS 47 1HE LYS 47 -15.753 -2.338 -1.002 401 2HE LYS 47 2HE LYS 47 -14.475 -1.515 -0.085 402 1HZ LYS 47 1HZ LYS 47 -16.346 -2.283 1.325 403 2HZ LYS 47 2HZ LYS 47 -17.380 -1.236 0.475 404 3HZ LYS 47 3HZ LYS 47 -16.099 -0.606 1.397 405 H GLU 48 H GLU 48 -13.312 3.462 -2.858 406 HA GLU 48 HA GLU 48 -15.975 4.364 -2.655 407 1HB GLU 48 1HB GLU 48 -13.296 5.682 -2.933 408 2HB GLU 48 2HB GLU 48 -14.736 6.697 -3.016 409 1HG GLU 48 1HG GLU 48 -15.344 5.164 -0.851 410 2HG GLU 48 2HG GLU 48 -13.587 5.232 -0.711 411 HA PRO 49 HA PRO 49 -17.160 5.014 -6.875 412 1HB PRO 49 1HB PRO 49 -19.166 6.846 -6.535 413 2HB PRO 49 2HB PRO 49 -19.356 5.124 -6.148 414 1HG PRO 49 1HG PRO 49 -18.836 7.425 -4.333 415 2HG PRO 49 2HG PRO 49 -19.872 6.010 -4.094 416 1HD PRO 49 1HD PRO 49 -17.400 6.263 -2.979 417 2HD PRO 49 2HD PRO 49 -18.139 4.696 -3.378 418 H LYS 50 H LYS 50 -16.785 7.959 -4.834 419 HA LYS 50 HA LYS 50 -16.403 9.848 -6.953 420 1HB LYS 50 1HB LYS 50 -15.658 9.645 -4.060 421 2HB LYS 50 2HB LYS 50 -14.879 10.908 -5.015 422 1HG LYS 50 1HG LYS 50 -16.844 12.056 -5.358 423 2HG LYS 50 2HG LYS 50 -17.828 10.592 -5.324 424 1HD LYS 50 1HD LYS 50 -18.022 10.607 -3.031 425 2HD LYS 50 2HD LYS 50 -16.442 11.353 -2.798 426 1HE LYS 50 1HE LYS 50 -17.266 13.505 -3.053 427 2HE LYS 50 2HE LYS 50 -18.572 12.983 -4.137 428 1HZ LYS 50 1HZ LYS 50 -19.718 11.976 -2.336 429 2HZ LYS 50 2HZ LYS 50 -19.310 13.547 -1.831 430 3HZ LYS 50 3HZ LYS 50 -18.416 12.213 -1.275 431 H MET 51 H MET 51 -14.088 7.545 -5.476 432 HA MET 51 HA MET 51 -11.881 8.705 -7.111 433 1HB MET 51 1HB MET 51 -12.158 7.064 -4.678 434 2HB MET 51 2HB MET 51 -10.855 6.543 -5.743 435 1HG MET 51 1HG MET 51 -11.246 9.404 -4.840 436 2HG MET 51 2HG MET 51 -10.155 8.266 -4.058 437 1HE MET 51 1HE MET 51 -7.217 9.648 -5.457 438 2HE MET 51 2HE MET 51 -7.485 7.949 -5.074 439 3HE MET 51 3HE MET 51 -8.274 9.195 -4.111 440 H ALA 52 H ALA 52 -13.899 5.752 -6.962 441 HA ALA 52 HA ALA 52 -12.384 4.012 -8.610 442 1HB ALA 52 1HB ALA 52 -15.283 4.458 -8.037 443 2HB ALA 52 2HB ALA 52 -14.312 3.001 -7.823 444 3HB ALA 52 3HB ALA 52 -14.896 3.443 -9.428 445 H ALA 53 H ALA 53 -14.498 6.738 -9.581 446 HA ALA 53 HA ALA 53 -14.232 6.240 -12.446 447 1HB ALA 53 1HB ALA 53 -15.513 8.185 -12.665 448 2HB ALA 53 2HB ALA 53 -14.739 8.969 -11.288 449 3HB ALA 53 3HB ALA 53 -15.933 7.697 -11.022 450 H SER 54 H SER 54 -12.297 8.058 -10.050 451 HA SER 54 HA SER 54 -10.645 9.315 -12.165 452 1HB SER 54 1HB SER 54 -10.401 9.249 -9.134 453 2HB SER 54 2HB SER 54 -9.451 10.275 -10.206 454 HG SER 54 HG SER 54 -11.199 11.455 -9.493 455 H LEU 55 H LEU 55 -10.326 6.655 -9.768 456 HA LEU 55 HA LEU 55 -7.506 6.171 -10.349 457 1HB LEU 55 1HB LEU 55 -9.728 4.701 -8.945 458 2HB LEU 55 2HB LEU 55 -8.190 3.887 -9.239 459 HG LEU 55 HG LEU 55 -8.034 6.638 -8.119 460 1HD1 LEU 55 1HD1 LEU 55 -8.472 4.478 -6.123 461 2HD1 LEU 55 2HD1 LEU 55 -9.907 5.074 -6.959 462 3HD1 LEU 55 3HD1 LEU 55 -8.893 6.189 -6.042 463 1HD2 LEU 55 1HD2 LEU 55 -6.317 5.304 -6.687 464 2HD2 LEU 55 2HD2 LEU 55 -5.959 5.551 -8.397 465 3HD2 LEU 55 3HD2 LEU 55 -6.595 4.002 -7.843 466 H LEU 56 H LEU 56 -10.539 4.992 -11.817 467 HA LEU 56 HA LEU 56 -9.056 2.960 -13.403 468 1HB LEU 56 1HB LEU 56 -11.255 2.431 -12.426 469 2HB LEU 56 2HB LEU 56 -11.984 3.770 -13.313 470 HG LEU 56 HG LEU 56 -10.452 1.775 -14.912 471 1HD1 LEU 56 1HD1 LEU 56 -13.156 1.224 -13.655 472 2HD1 LEU 56 2HD1 LEU 56 -11.680 0.283 -13.445 473 3HD1 LEU 56 3HD1 LEU 56 -12.493 0.311 -15.010 474 1HD2 LEU 56 1HD2 LEU 56 -12.684 3.711 -15.212 475 2HD2 LEU 56 2HD2 LEU 56 -12.839 2.228 -16.151 476 3HD2 LEU 56 3HD2 LEU 56 -11.425 3.260 -16.362 477 H ASN 57 H ASN 57 -10.297 6.257 -13.847 478 HA ASN 57 HA ASN 57 -10.758 6.388 -16.609 479 1HB ASN 57 1HB ASN 57 -10.728 8.200 -14.683 480 2HB ASN 57 2HB ASN 57 -9.100 8.512 -15.278 481 1HD2 ASN 57 1HD2 ASN 57 -12.316 7.852 -16.871 482 2HD2 ASN 57 2HD2 ASN 57 -12.179 9.150 -17.957 483 HA PRO 58 HA PRO 58 -6.789 5.503 -18.377 484 1HB PRO 58 1HB PRO 58 -7.274 6.296 -20.941 485 2HB PRO 58 2HB PRO 58 -7.929 4.799 -20.252 486 1HG PRO 58 1HG PRO 58 -9.274 7.366 -20.806 487 2HG PRO 58 2HG PRO 58 -9.929 5.723 -20.790 488 1HD PRO 58 1HD PRO 58 -10.212 7.643 -18.771 489 2HD PRO 58 2HD PRO 58 -10.569 5.909 -18.633 490 H TYR 59 H TYR 59 -7.875 8.663 -17.760 491 HA TYR 59 HA TYR 59 -5.735 10.032 -19.283 492 1HB TYR 59 1HB TYR 59 -8.034 10.885 -17.501 493 2HB TYR 59 2HB TYR 59 -6.860 12.041 -18.141 494 HD1 TYR 59 HD1 TYR 59 -9.303 9.394 -19.164 495 HD2 TYR 59 HD2 TYR 59 -7.029 12.842 -20.361 496 HE1 TYR 59 HE1 TYR 59 -10.508 9.441 -21.324 497 HE2 TYR 59 HE2 TYR 59 -8.241 12.886 -22.523 498 HH TYR 59 HH TYR 59 -11.008 11.543 -23.107 499 H VAL 60 H VAL 60 -6.545 9.137 -15.903 500 HA VAL 60 HA VAL 60 -4.679 10.717 -14.485 501 HB VAL 60 HB VAL 60 -4.655 8.850 -12.833 502 1HG1 VAL 60 1HG1 VAL 60 -7.465 8.871 -13.806 503 2HG1 VAL 60 2HG1 VAL 60 -6.724 10.441 -13.495 504 3HG1 VAL 60 3HG1 VAL 60 -6.824 9.242 -12.206 505 1HG2 VAL 60 1HG2 VAL 60 -4.627 6.801 -13.856 506 2HG2 VAL 60 2HG2 VAL 60 -5.567 7.358 -15.237 507 3HG2 VAL 60 3HG2 VAL 60 -6.378 6.954 -13.726 508 H LYS 61 H LYS 61 -3.961 7.897 -16.563 509 HA LYS 61 HA LYS 61 -1.899 7.001 -17.247 510 1HB LYS 61 1HB LYS 61 -1.701 9.824 -17.051 511 2HB LYS 61 2HB LYS 61 -0.207 9.185 -16.366 512 1HG LYS 61 1HG LYS 61 0.368 9.260 -18.612 513 2HG LYS 61 2HG LYS 61 -0.283 7.623 -18.509 514 1HD LYS 61 1HD LYS 61 -2.394 8.309 -19.408 515 2HD LYS 61 2HD LYS 61 -1.986 10.016 -19.237 516 1HE LYS 61 1HE LYS 61 -0.413 9.936 -21.019 517 2HE LYS 61 2HE LYS 61 -0.356 8.161 -20.992 518 1HZ LYS 61 1HZ LYS 61 -1.813 9.072 -22.763 519 2HZ LYS 61 2HZ LYS 61 -2.808 9.741 -21.559 520 3HZ LYS 61 3HZ LYS 61 -2.628 8.055 -21.677 521 H ARG 62 H ARG 62 0.681 7.126 -16.144 522 HA ARG 62 HA ARG 62 0.205 5.998 -13.403 523 1HB ARG 62 1HB ARG 62 1.780 5.257 -15.769 524 2HB ARG 62 2HB ARG 62 2.733 5.224 -14.286 525 1HG ARG 62 1HG ARG 62 0.629 3.958 -13.318 526 2HG ARG 62 2HG ARG 62 0.314 3.605 -15.016 527 1HD ARG 62 1HD ARG 62 3.127 3.176 -14.228 528 2HD ARG 62 2HD ARG 62 1.971 2.101 -13.417 529 HE ARG 62 HE ARG 62 1.079 1.552 -15.710 530 1HH1 ARG 62 1HH1 ARG 62 3.376 3.856 -16.280 531 2HH1 ARG 62 2HH1 ARG 62 4.332 2.920 -17.379 532 1HH2 ARG 62 1HH2 ARG 62 2.656 -0.045 -16.729 533 2HH2 ARG 62 2HH2 ARG 62 3.925 0.711 -17.633 534 H SER 63 H SER 63 2.839 7.686 -15.233 535 HA SER 63 HA SER 63 4.242 8.610 -12.903 536 1HB SER 63 1HB SER 63 4.815 8.631 -15.493 537 2HB SER 63 2HB SER 63 4.118 10.248 -15.428 538 HG SER 63 HG SER 63 6.352 9.199 -14.050 539 H VAL 64 H VAL 64 1.569 10.118 -14.773 540 HA VAL 64 HA VAL 64 1.572 12.594 -13.230 541 HB VAL 64 HB VAL 64 -0.627 11.242 -14.850 542 1HG1 VAL 64 1HG1 VAL 64 -0.278 14.138 -14.004 543 2HG1 VAL 64 2HG1 VAL 64 -1.464 13.015 -13.336 544 3HG1 VAL 64 3HG1 VAL 64 -1.573 13.512 -15.025 545 1HG2 VAL 64 1HG2 VAL 64 1.784 12.018 -15.804 546 2HG2 VAL 64 2HG2 VAL 64 0.925 13.555 -15.898 547 3HG2 VAL 64 3HG2 VAL 64 0.300 12.142 -16.748 548 H LYS 65 H LYS 65 -0.297 9.530 -13.011 549 HA LYS 65 HA LYS 65 -1.953 10.358 -10.787 550 1HB LYS 65 1HB LYS 65 -1.945 8.233 -12.430 551 2HB LYS 65 2HB LYS 65 -1.084 7.505 -11.073 552 1HG LYS 65 1HG LYS 65 -3.749 8.936 -10.845 553 2HG LYS 65 2HG LYS 65 -3.561 7.184 -10.935 554 1HD LYS 65 1HD LYS 65 -1.931 7.491 -8.924 555 2HD LYS 65 2HD LYS 65 -2.720 9.058 -8.733 556 1HE LYS 65 1HE LYS 65 -4.198 6.403 -8.846 557 2HE LYS 65 2HE LYS 65 -3.826 7.291 -7.355 558 1HZ LYS 65 1HZ LYS 65 -4.916 9.253 -8.389 559 2HZ LYS 65 2HZ LYS 65 -5.982 7.968 -8.078 560 3HZ LYS 65 3HZ LYS 65 -5.432 8.255 -9.659 561 H VAL 66 H VAL 66 1.306 8.851 -10.952 562 HA VAL 66 HA VAL 66 1.582 8.263 -8.153 563 HB VAL 66 HB VAL 66 3.675 9.102 -10.200 564 1HG1 VAL 66 1HG1 VAL 66 4.962 7.423 -8.512 565 2HG1 VAL 66 2HG1 VAL 66 3.826 8.164 -7.383 566 3HG1 VAL 66 3HG1 VAL 66 4.948 9.174 -8.295 567 1HG2 VAL 66 1HG2 VAL 66 3.388 6.266 -9.409 568 2HG2 VAL 66 2HG2 VAL 66 3.628 6.968 -11.007 569 3HG2 VAL 66 3HG2 VAL 66 2.014 6.917 -10.301 570 H LYS 67 H LYS 67 2.240 11.285 -9.997 571 HA LYS 67 HA LYS 67 3.349 12.739 -7.741 572 1HB LYS 67 1HB LYS 67 3.165 13.213 -10.392 573 2HB LYS 67 2HB LYS 67 1.786 14.172 -9.853 574 1HG LYS 67 1HG LYS 67 3.590 15.692 -9.758 575 2HG LYS 67 2HG LYS 67 3.417 15.146 -8.089 576 1HD LYS 67 1HD LYS 67 5.113 13.254 -8.975 577 2HD LYS 67 2HD LYS 67 5.574 14.568 -10.057 578 1HE LYS 67 1HE LYS 67 5.443 15.912 -7.683 579 2HE LYS 67 2HE LYS 67 5.989 14.314 -7.136 580 1HZ LYS 67 1HZ LYS 67 7.189 15.965 -9.295 581 2HZ LYS 67 2HZ LYS 67 7.633 14.358 -8.968 582 3HZ LYS 67 3HZ LYS 67 7.901 15.569 -7.807 583 H SER 68 H SER 68 0.007 12.415 -9.024 584 HA SER 68 HA SER 68 -1.257 14.285 -7.253 585 1HB SER 68 1HB SER 68 -2.263 13.113 -9.266 586 2HB SER 68 2HB SER 68 -2.406 11.664 -8.275 587 HG SER 68 HG SER 68 -3.860 12.678 -6.996 588 H LEU 69 H LEU 69 -0.375 10.835 -6.762 589 HA LEU 69 HA LEU 69 -1.768 10.446 -4.279 590 1HB LEU 69 1HB LEU 69 0.822 9.277 -5.356 591 2HB LEU 69 2HB LEU 69 -0.010 8.659 -3.928 592 HG LEU 69 HG LEU 69 -1.491 8.987 -6.528 593 1HD1 LEU 69 1HD1 LEU 69 -0.663 7.050 -7.427 594 2HD1 LEU 69 2HD1 LEU 69 -0.370 6.320 -5.849 595 3HD1 LEU 69 3HD1 LEU 69 0.766 7.502 -6.498 596 1HD2 LEU 69 1HD2 LEU 69 -1.836 7.587 -3.912 597 2HD2 LEU 69 2HD2 LEU 69 -2.500 6.802 -5.345 598 3HD2 LEU 69 3HD2 LEU 69 -3.032 8.425 -4.902 599 H SER 70 H SER 70 1.599 11.600 -4.898 600 HA SER 70 HA SER 70 2.355 11.946 -2.150 601 1HB SER 70 1HB SER 70 3.185 13.086 -4.792 602 2HB SER 70 2HB SER 70 3.752 13.911 -3.344 603 HG SER 70 HG SER 70 5.231 12.334 -3.804 604 H ASP 71 H ASP 71 0.647 14.182 -4.390 605 HA ASP 71 HA ASP 71 0.493 16.356 -2.447 606 1HB ASP 71 1HB ASP 71 0.265 16.463 -5.006 607 2HB ASP 71 2HB ASP 71 -1.378 15.863 -4.782 608 H MET 72 H MET 72 -1.439 13.433 -2.972 609 HA MET 72 HA MET 72 -3.697 14.467 -1.343 610 1HB MET 72 1HB MET 72 -3.782 12.785 -3.349 611 2HB MET 72 2HB MET 72 -3.208 11.595 -2.179 612 1HG MET 72 1HG MET 72 -5.146 12.321 -0.687 613 2HG MET 72 2HG MET 72 -5.773 13.197 -2.083 614 1HE MET 72 1HE MET 72 -5.235 8.774 -1.353 615 2HE MET 72 2HE MET 72 -4.311 10.141 -0.734 616 3HE MET 72 3HE MET 72 -3.915 9.460 -2.311 617 H THR 73 H THR 73 -1.028 12.080 -1.138 618 HA THR 73 HA THR 73 -1.485 11.147 1.524 619 HB THR 73 HB THR 73 0.837 11.393 -0.374 620 HG1 THR 73 HG1 THR 73 0.692 9.222 -0.305 621 1HG2 THR 73 1HG2 THR 73 2.140 11.839 1.495 622 2HG2 THR 73 2HG2 THR 73 2.178 10.076 1.433 623 3HG2 THR 73 3HG2 THR 73 1.108 10.897 2.571 624 H ALA 74 H ALA 74 0.193 14.110 0.334 625 HA ALA 74 HA ALA 74 1.185 14.973 2.915 626 1HB ALA 74 1HB ALA 74 0.954 17.296 1.649 627 2HB ALA 74 2HB ALA 74 0.587 16.266 0.265 628 3HB ALA 74 3HB ALA 74 2.134 16.105 1.098 629 H LYS 75 H LYS 75 -1.915 15.571 1.195 630 HA LYS 75 HA LYS 75 -2.944 17.292 3.356 631 1HB LYS 75 1HB LYS 75 -3.588 17.506 0.943 632 2HB LYS 75 2HB LYS 75 -4.386 15.935 1.049 633 1HG LYS 75 1HG LYS 75 -5.534 17.137 3.167 634 2HG LYS 75 2HG LYS 75 -5.215 18.562 2.177 635 1HD LYS 75 1HD LYS 75 -6.391 17.530 0.282 636 2HD LYS 75 2HD LYS 75 -6.684 16.079 1.241 637 1HE LYS 75 1HE LYS 75 -7.795 17.742 2.946 638 2HE LYS 75 2HE LYS 75 -7.914 18.810 1.533 639 1HZ LYS 75 1HZ LYS 75 -9.839 17.293 1.758 640 2HZ LYS 75 2HZ LYS 75 -8.789 15.970 1.570 641 3HZ LYS 75 3HZ LYS 75 -8.995 17.081 0.302 642 H GLU 76 H GLU 76 -3.241 13.843 2.423 643 HA GLU 76 HA GLU 76 -5.371 13.263 4.331 644 1HB GLU 76 1HB GLU 76 -3.432 11.649 2.684 645 2HB GLU 76 2HB GLU 76 -4.474 10.855 3.866 646 1HG GLU 76 1HG GLU 76 -6.321 12.382 2.653 647 2HG GLU 76 2HG GLU 76 -5.192 12.206 1.309 648 H LYS 77 H LYS 77 -1.978 13.859 4.840 649 HA LYS 77 HA LYS 77 -0.632 13.584 6.742 650 1HB LYS 77 1HB LYS 77 -2.870 14.568 7.630 651 2HB LYS 77 2HB LYS 77 -3.195 12.932 8.206 652 1HG LYS 77 1HG LYS 77 -2.093 13.711 10.063 653 2HG LYS 77 2HG LYS 77 -0.682 13.212 9.130 654 1HD LYS 77 1HD LYS 77 -0.175 15.406 8.476 655 2HD LYS 77 2HD LYS 77 -1.813 15.980 8.792 656 1HE LYS 77 1HE LYS 77 -1.286 15.324 11.282 657 2HE LYS 77 2HE LYS 77 0.405 15.436 10.754 658 1HZ LYS 77 1HZ LYS 77 -0.149 17.615 9.758 659 2HZ LYS 77 2HZ LYS 77 -0.313 17.600 11.450 660 3HZ LYS 77 3HZ LYS 77 -1.691 17.521 10.460 661 H PHE 78 H PHE 78 -0.770 11.319 5.083 662 HA PHE 78 HA PHE 78 -1.612 8.881 6.299 663 1HB PHE 78 1HB PHE 78 0.249 9.704 4.159 664 2HB PHE 78 2HB PHE 78 0.678 8.173 4.917 665 HD1 PHE 78 HD1 PHE 78 -1.781 6.892 5.609 666 HD2 PHE 78 HD2 PHE 78 -0.923 9.312 2.158 667 HE1 PHE 78 HE1 PHE 78 -3.612 5.786 4.371 668 HE2 PHE 78 HE2 PHE 78 -2.754 8.185 0.920 669 HZ PHE 78 HZ PHE 78 -4.101 6.418 2.032 670 H SER 79 H SER 79 0.432 7.152 6.789 671 HA SER 79 HA SER 79 1.672 8.316 9.233 672 1HB SER 79 1HB SER 79 1.354 6.211 10.143 673 2HB SER 79 2HB SER 79 0.114 6.137 8.899 674 HG SER 79 HG SER 79 1.773 4.372 9.046 675 HA PRO 80 HA PRO 80 5.700 7.635 7.629 676 1HB PRO 80 1HB PRO 80 7.053 5.974 9.305 677 2HB PRO 80 2HB PRO 80 6.631 7.645 9.712 678 1HG PRO 80 1HG PRO 80 5.397 5.116 10.612 679 2HG PRO 80 2HG PRO 80 5.584 6.653 11.467 680 1HD PRO 80 1HD PRO 80 3.261 5.748 10.272 681 2HD PRO 80 2HD PRO 80 3.596 7.435 10.714 682 H LEU 81 H LEU 81 3.666 4.833 7.699 683 HA LEU 81 HA LEU 81 5.616 3.398 5.947 684 1HB LEU 81 1HB LEU 81 3.828 2.599 8.187 685 2HB LEU 81 2HB LEU 81 3.888 1.489 6.810 686 HG LEU 81 HG LEU 81 6.542 2.494 7.612 687 1HD1 LEU 81 1HD1 LEU 81 6.267 2.249 9.840 688 2HD1 LEU 81 2HD1 LEU 81 6.214 0.516 9.520 689 3HD1 LEU 81 3HD1 LEU 81 4.717 1.437 9.646 690 1HD2 LEU 81 1HD2 LEU 81 5.227 -0.074 6.808 691 2HD2 LEU 81 2HD2 LEU 81 6.764 -0.163 7.671 692 3HD2 LEU 81 3HD2 LEU 81 6.659 0.709 6.141 693 H THR 82 H THR 82 3.081 5.404 5.518 694 HA THR 82 HA THR 82 1.753 3.601 3.551 695 HB THR 82 HB THR 82 0.535 6.081 4.797 696 HG1 THR 82 HG1 THR 82 0.925 4.875 6.551 697 1HG2 THR 82 1HG2 THR 82 -0.281 3.792 3.085 698 2HG2 THR 82 2HG2 THR 82 -0.937 5.424 3.171 699 3HG2 THR 82 3HG2 THR 82 -1.412 4.218 4.364 700 H SER 83 H SER 83 3.991 6.136 3.544 701 HA SER 83 HA SER 83 2.832 7.254 1.022 702 1HB SER 83 1HB SER 83 4.026 9.257 1.540 703 2HB SER 83 2HB SER 83 3.420 8.713 3.102 704 HG SER 83 HG SER 83 5.560 9.109 3.395 705 H ASN 84 H ASN 84 4.108 4.698 1.127 706 HA ASN 84 HA ASN 84 6.392 5.168 -0.740 707 1HB ASN 84 1HB ASN 84 6.327 3.522 1.812 708 2HB ASN 84 2HB ASN 84 7.488 3.179 0.529 709 1HD2 ASN 84 1HD2 ASN 84 9.411 4.436 0.532 710 2HD2 ASN 84 2HD2 ASN 84 9.615 5.844 1.457 711 H LEU 85 H LEU 85 4.594 2.523 0.930 712 HA LEU 85 HA LEU 85 4.366 0.796 -1.358 713 1HB LEU 85 1HB LEU 85 3.909 -0.028 0.886 714 2HB LEU 85 2HB LEU 85 2.679 1.204 1.151 715 HG LEU 85 HG LEU 85 1.260 0.176 -0.584 716 1HD1 LEU 85 1HD1 LEU 85 3.127 -0.735 -1.969 717 2HD1 LEU 85 2HD1 LEU 85 1.900 -1.952 -1.616 718 3HD1 LEU 85 3HD1 LEU 85 3.423 -1.951 -0.726 719 1HD2 LEU 85 1HD2 LEU 85 1.316 -0.619 1.868 720 2HD2 LEU 85 2HD2 LEU 85 2.199 -2.022 1.266 721 3HD2 LEU 85 3HD2 LEU 85 0.561 -1.701 0.696 722 H ILE 86 H ILE 86 2.588 3.765 -0.376 723 HA ILE 86 HA ILE 86 0.273 3.414 -2.019 724 HB ILE 86 HB ILE 86 0.637 5.183 -0.259 725 1HG1 ILE 86 1HG1 ILE 86 -0.006 6.804 -2.647 726 2HG1 ILE 86 2HG1 ILE 86 -0.906 5.292 -2.524 727 1HG2 ILE 86 1HG2 ILE 86 2.196 6.641 -2.410 728 2HG2 ILE 86 2HG2 ILE 86 2.962 5.780 -1.075 729 3HG2 ILE 86 3HG2 ILE 86 1.915 7.161 -0.748 730 1HD1 ILE 86 1HD1 ILE 86 -0.648 6.968 -0.064 731 2HD1 ILE 86 2HD1 ILE 86 -1.974 5.924 -0.577 732 3HD1 ILE 86 3HD1 ILE 86 -1.761 7.509 -1.321 733 H ASN 87 H ASN 87 3.554 4.622 -2.821 734 HA ASN 87 HA ASN 87 2.879 5.429 -5.538 735 1HB ASN 87 1HB ASN 87 5.379 4.826 -3.976 736 2HB ASN 87 2HB ASN 87 5.498 4.951 -5.731 737 1HD2 ASN 87 1HD2 ASN 87 4.411 6.805 -2.825 738 2HD2 ASN 87 2HD2 ASN 87 4.606 8.326 -3.552 739 H LEU 88 H LEU 88 4.307 2.433 -4.143 740 HA LEU 88 HA LEU 88 4.669 0.930 -6.522 741 1HB LEU 88 1HB LEU 88 4.182 0.351 -3.644 742 2HB LEU 88 2HB LEU 88 3.841 -0.975 -4.751 743 HG LEU 88 HG LEU 88 6.390 0.529 -5.141 744 1HD1 LEU 88 1HD1 LEU 88 6.570 0.230 -2.793 745 2HD1 LEU 88 2HD1 LEU 88 7.422 -1.152 -3.481 746 3HD1 LEU 88 3HD1 LEU 88 5.785 -1.348 -2.851 747 1HD2 LEU 88 1HD2 LEU 88 6.064 -2.449 -5.119 748 2HD2 LEU 88 2HD2 LEU 88 7.065 -1.442 -6.166 749 3HD2 LEU 88 3HD2 LEU 88 5.324 -1.539 -6.436 750 H LEU 89 H LEU 89 1.676 1.357 -4.570 751 HA LEU 89 HA LEU 89 0.030 -0.471 -6.064 752 1HB LEU 89 1HB LEU 89 -0.491 2.012 -4.420 753 2HB LEU 89 2HB LEU 89 -1.820 1.167 -5.215 754 HG LEU 89 HG LEU 89 0.175 -0.187 -3.381 755 1HD1 LEU 89 1HD1 LEU 89 -1.482 -0.074 -1.642 756 2HD1 LEU 89 2HD1 LEU 89 -2.687 0.585 -2.747 757 3HD1 LEU 89 3HD1 LEU 89 -1.303 1.565 -2.268 758 1HD2 LEU 89 1HD2 LEU 89 -0.791 -1.794 -4.827 759 2HD2 LEU 89 2HD2 LEU 89 -2.369 -1.009 -4.785 760 3HD2 LEU 89 3HD2 LEU 89 -1.780 -1.880 -3.369 761 H ALA 90 H ALA 90 0.820 2.987 -6.619 762 HA ALA 90 HA ALA 90 -0.661 2.818 -9.219 763 1HB ALA 90 1HB ALA 90 0.190 5.461 -8.675 764 2HB ALA 90 2HB ALA 90 -0.334 4.798 -7.127 765 3HB ALA 90 3HB ALA 90 -1.442 4.815 -8.498 766 H GLU 91 H GLU 91 2.143 1.695 -8.671 767 HA GLU 91 HA GLU 91 3.805 3.565 -10.315 768 1HB GLU 91 1HB GLU 91 4.703 2.678 -8.180 769 2HB GLU 91 2HB GLU 91 4.503 1.034 -8.783 770 1HG GLU 91 1HG GLU 91 6.218 1.265 -10.359 771 2HG GLU 91 2HG GLU 91 6.105 3.026 -10.368 772 H ASN 92 H ASN 92 2.720 0.112 -10.279 773 HA ASN 92 HA ASN 92 3.484 -0.013 -13.182 774 1HB ASN 92 1HB ASN 92 3.271 -2.146 -11.034 775 2HB ASN 92 2HB ASN 92 3.688 -2.461 -12.720 776 1HD2 ASN 92 1HD2 ASN 92 5.473 -2.906 -10.356 777 2HD2 ASN 92 2HD2 ASN 92 6.823 -1.909 -10.607 778 H GLY 93 H GLY 93 0.800 0.929 -12.012 779 1HA GLY 93 1HA GLY 93 -1.415 0.692 -12.760 780 2HA GLY 93 2HA GLY 93 -0.889 -0.662 -13.765 781 H ARG 94 H ARG 94 -0.693 -0.145 -10.202 782 HA ARG 94 HA ARG 94 -1.983 -2.825 -9.906 783 1HB ARG 94 1HB ARG 94 0.088 -1.248 -8.449 784 2HB ARG 94 2HB ARG 94 -0.925 -2.326 -7.487 785 1HG ARG 94 1HG ARG 94 0.412 -3.275 -10.021 786 2HG ARG 94 2HG ARG 94 1.252 -3.311 -8.471 787 1HD ARG 94 1HD ARG 94 -0.559 -4.697 -7.511 788 2HD ARG 94 2HD ARG 94 -1.401 -4.670 -9.074 789 HE ARG 94 HE ARG 94 1.162 -6.060 -8.519 790 1HH1 ARG 94 1HH1 ARG 94 -1.302 -7.335 -9.744 791 2HH1 ARG 94 2HH1 ARG 94 -0.846 -7.432 -11.411 792 1HH2 ARG 94 1HH2 ARG 94 1.778 -5.186 -11.098 793 2HH2 ARG 94 2HH2 ARG 94 0.899 -6.216 -12.178 794 H LEU 95 H LEU 95 -3.588 -0.325 -10.330 795 HA LEU 95 HA LEU 95 -4.824 -0.011 -7.616 796 1HB LEU 95 1HB LEU 95 -4.807 1.622 -10.166 797 2HB LEU 95 2HB LEU 95 -5.960 1.950 -8.873 798 HG LEU 95 HG LEU 95 -2.986 1.773 -8.366 799 1HD1 LEU 95 1HD1 LEU 95 -4.644 4.014 -9.445 800 2HD1 LEU 95 2HD1 LEU 95 -2.955 3.616 -9.760 801 3HD1 LEU 95 3HD1 LEU 95 -3.408 4.407 -8.250 802 1HD2 LEU 95 1HD2 LEU 95 -4.891 3.452 -6.797 803 2HD2 LEU 95 2HD2 LEU 95 -3.490 2.531 -6.246 804 3HD2 LEU 95 3HD2 LEU 95 -5.007 1.703 -6.598 805 H THR 96 H THR 96 -5.230 -2.367 -9.518 806 HA THR 96 HA THR 96 -8.167 -2.068 -10.047 807 HB THR 96 HB THR 96 -7.796 -3.983 -11.579 808 HG1 THR 96 HG1 THR 96 -5.777 -4.872 -11.767 809 1HG2 THR 96 1HG2 THR 96 -6.894 -2.701 -13.248 810 2HG2 THR 96 2HG2 THR 96 -5.495 -2.241 -12.278 811 3HG2 THR 96 3HG2 THR 96 -7.043 -1.431 -12.034 812 H ASN 97 H ASN 97 -5.704 -4.454 -8.900 813 HA ASN 97 HA ASN 97 -7.784 -5.665 -7.125 814 1HB ASN 97 1HB ASN 97 -5.038 -6.596 -8.050 815 2HB ASN 97 2HB ASN 97 -6.132 -7.536 -7.032 816 1HD2 ASN 97 1HD2 ASN 97 -5.386 -6.691 -10.336 817 2HD2 ASN 97 2HD2 ASN 97 -6.717 -7.472 -11.043 818 H THR 98 H THR 98 -6.510 -3.033 -6.495 819 HA THR 98 HA THR 98 -4.330 -3.429 -4.668 820 HB THR 98 HB THR 98 -4.903 -1.290 -5.811 821 HG1 THR 98 HG1 THR 98 -4.260 -0.069 -4.094 822 1HG2 THR 98 1HG2 THR 98 -6.644 0.142 -4.706 823 2HG2 THR 98 2HG2 THR 98 -7.166 -1.277 -3.798 824 3HG2 THR 98 3HG2 THR 98 -7.309 -1.252 -5.556 825 HA PRO 99 HA PRO 99 -7.689 -3.310 -1.198 826 1HB PRO 99 1HB PRO 99 -9.936 -4.805 -1.700 827 2HB PRO 99 2HB PRO 99 -9.858 -3.047 -1.942 828 1HG PRO 99 1HG PRO 99 -9.576 -5.245 -3.938 829 2HG PRO 99 2HG PRO 99 -10.464 -3.717 -4.063 830 1HD PRO 99 1HD PRO 99 -8.080 -4.056 -5.207 831 2HD PRO 99 2HD PRO 99 -8.566 -2.497 -4.530 832 H ALA 100 H ALA 100 -7.516 -6.136 -3.419 833 HA ALA 100 HA ALA 100 -7.540 -8.225 -1.465 834 1HB ALA 100 1HB ALA 100 -6.375 -7.839 -4.203 835 2HB ALA 100 2HB ALA 100 -7.589 -8.997 -3.660 836 3HB ALA 100 3HB ALA 100 -5.888 -9.265 -3.287 837 H VAL 101 H VAL 101 -4.917 -5.973 -2.375 838 HA VAL 101 HA VAL 101 -2.765 -7.422 -1.076 839 HB VAL 101 HB VAL 101 -3.093 -4.444 -1.612 840 1HG1 VAL 101 1HG1 VAL 101 -1.198 -4.454 -0.313 841 2HG1 VAL 101 2HG1 VAL 101 -0.450 -4.912 -1.844 842 3HG1 VAL 101 3HG1 VAL 101 -0.848 -6.149 -0.651 843 1HG2 VAL 101 1HG2 VAL 101 -3.150 -6.424 -3.487 844 2HG2 VAL 101 2HG2 VAL 101 -1.415 -6.144 -3.372 845 3HG2 VAL 101 3HG2 VAL 101 -2.497 -4.815 -3.789 846 H ILE 102 H ILE 102 -5.159 -5.036 0.121 847 HA ILE 102 HA ILE 102 -3.826 -4.666 2.699 848 HB ILE 102 HB ILE 102 -6.686 -4.134 1.806 849 1HG1 ILE 102 1HG1 ILE 102 -4.470 -2.111 2.117 850 2HG1 ILE 102 2HG1 ILE 102 -4.674 -2.998 0.608 851 1HG2 ILE 102 1HG2 ILE 102 -6.798 -2.612 3.714 852 2HG2 ILE 102 2HG2 ILE 102 -5.133 -2.991 4.149 853 3HG2 ILE 102 3HG2 ILE 102 -6.383 -4.228 4.285 854 1HD1 ILE 102 1HD1 ILE 102 -6.070 -1.245 0.124 855 2HD1 ILE 102 2HD1 ILE 102 -6.402 -0.908 1.823 856 3HD1 ILE 102 3HD1 ILE 102 -7.229 -2.236 1.009 857 H SER 103 H SER 103 -6.414 -6.856 1.507 858 HA SER 103 HA SER 103 -7.319 -7.847 4.034 859 1HB SER 103 1HB SER 103 -8.174 -8.302 1.621 860 2HB SER 103 2HB SER 103 -6.959 -9.576 1.575 861 HG SER 103 HG SER 103 -8.761 -10.534 2.362 862 H ALA 104 H ALA 104 -4.581 -8.966 1.984 863 HA ALA 104 HA ALA 104 -3.769 -11.167 3.647 864 1HB ALA 104 1HB ALA 104 -1.615 -10.937 2.489 865 2HB ALA 104 2HB ALA 104 -2.023 -9.290 2.008 866 3HB ALA 104 3HB ALA 104 -2.925 -10.651 1.341 867 H PHE 105 H PHE 105 -3.069 -7.660 3.890 868 HA PHE 105 HA PHE 105 -1.008 -7.734 5.862 869 1HB PHE 105 1HB PHE 105 -2.089 -5.764 4.531 870 2HB PHE 105 2HB PHE 105 -3.242 -5.698 5.863 871 HD1 PHE 105 HD1 PHE 105 -2.029 -5.857 8.301 872 HD2 PHE 105 HD2 PHE 105 -0.235 -4.390 4.688 873 HE1 PHE 105 HE1 PHE 105 -0.404 -4.568 9.632 874 HE2 PHE 105 HE2 PHE 105 1.396 -3.100 6.029 875 HZ PHE 105 HZ PHE 105 1.309 -3.199 8.499 876 H SER 106 H SER 106 -4.585 -7.765 6.287 877 HA SER 106 HA SER 106 -4.477 -7.732 9.189 878 1HB SER 106 1HB SER 106 -6.592 -8.753 7.258 879 2HB SER 106 2HB SER 106 -6.855 -8.513 8.983 880 HG SER 106 HG SER 106 -6.521 -6.337 8.712 881 H THR 107 H THR 107 -4.613 -10.410 6.798 882 HA THR 107 HA THR 107 -4.707 -12.472 8.881 883 HB THR 107 HB THR 107 -3.658 -13.104 6.162 884 HG1 THR 107 HG1 THR 107 -5.501 -12.568 5.146 885 1HG2 THR 107 1HG2 THR 107 -4.544 -14.659 8.090 886 2HG2 THR 107 2HG2 THR 107 -4.944 -15.029 6.412 887 3HG2 THR 107 3HG2 THR 107 -6.127 -14.226 7.444 888 H MET 108 H MET 108 -2.103 -10.893 6.976 889 HA MET 108 HA MET 108 -0.024 -12.696 7.965 890 1HB MET 108 1HB MET 108 0.031 -9.920 6.735 891 2HB MET 108 2HB MET 108 1.475 -10.872 7.074 892 1HG MET 108 1HG MET 108 -0.810 -11.837 5.333 893 2HG MET 108 2HG MET 108 0.657 -11.088 4.702 894 1HE MET 108 1HE MET 108 1.695 -14.191 3.468 895 2HE MET 108 2HE MET 108 2.871 -12.998 4.014 896 3HE MET 108 3HE MET 108 1.328 -12.464 3.353 897 H MET 109 H MET 109 -1.404 -9.561 9.051 898 HA MET 109 HA MET 109 0.571 -8.928 11.037 899 1HB MET 109 1HB MET 109 -1.295 -7.437 10.275 900 2HB MET 109 2HB MET 109 -2.441 -8.471 11.130 901 1HG MET 109 1HG MET 109 -0.101 -7.456 12.678 902 2HG MET 109 2HG MET 109 -1.367 -6.296 12.277 903 1HE MET 109 1HE MET 109 -3.378 -6.001 13.234 904 2HE MET 109 2HE MET 109 -4.337 -7.095 14.229 905 3HE MET 109 3HE MET 109 -4.140 -7.424 12.509 906 H SER 110 H SER 110 -2.337 -11.076 11.220 907 HA SER 110 HA SER 110 -2.172 -11.634 14.035 908 1HB SER 110 1HB SER 110 -2.947 -13.554 11.808 909 2HB SER 110 2HB SER 110 -3.457 -13.647 13.492 910 HG SER 110 HG SER 110 -5.088 -12.612 12.483 911 H VAL 111 H VAL 111 -0.232 -12.932 11.329 912 HA VAL 111 HA VAL 111 1.016 -14.993 13.016 913 HB VAL 111 HB VAL 111 1.786 -13.870 10.297 914 1HG1 VAL 111 1HG1 VAL 111 2.730 -16.359 10.241 915 2HG1 VAL 111 2HG1 VAL 111 2.803 -16.121 11.987 916 3HG1 VAL 111 3HG1 VAL 111 3.688 -15.040 10.911 917 1HG2 VAL 111 1HG2 VAL 111 0.502 -16.537 10.624 918 2HG2 VAL 111 2HG2 VAL 111 0.311 -15.348 9.336 919 3HG2 VAL 111 3HG2 VAL 111 -0.536 -15.133 10.867 920 H HIS 112 H HIS 112 1.501 -11.568 12.792 921 HA HIS 112 HA HIS 112 4.383 -11.741 13.374 922 1HB HIS 112 1HB HIS 112 4.388 -9.596 12.593 923 2HB HIS 112 2HB HIS 112 2.771 -9.968 12.017 924 HD1 HIS 112 HD1 HIS 112 0.861 -9.476 14.098 925 HD2 HIS 112 HD2 HIS 112 4.402 -7.354 14.062 926 HE1 HIS 112 HE1 HIS 112 0.476 -7.456 15.560 927 H ARG 113 H ARG 113 1.312 -11.493 15.135 928 HA ARG 113 HA ARG 113 2.680 -10.545 17.595 929 1HB ARG 113 1HB ARG 113 0.225 -10.082 16.609 930 2HB ARG 113 2HB ARG 113 -0.150 -11.517 17.563 931 1HG ARG 113 1HG ARG 113 0.332 -10.481 19.574 932 2HG ARG 113 2HG ARG 113 1.494 -9.373 18.844 933 1HD ARG 113 1HD ARG 113 -0.113 -7.819 18.356 934 2HD ARG 113 2HD ARG 113 -1.301 -9.056 17.897 935 HE ARG 113 HE ARG 113 -1.706 -9.450 20.309 936 1HH1 ARG 113 1HH2 ARG 113 -2.438 -6.593 19.907 937 2HH1 ARG 113 2HH2 ARG 113 -1.559 -5.799 21.170 938 1HH2 ARG 113 1HH1 ARG 113 0.565 -8.481 21.738 939 2HH2 ARG 113 2HH1 ARG 113 0.142 -6.869 22.207 940 H GLY 114 H GLY 114 1.285 -13.583 16.270 941 1HA GLY 114 1HA GLY 114 2.025 -14.955 18.812 942 2HA GLY 114 2HA GLY 114 0.936 -15.606 17.587 943 H GLU 115 H GLU 115 4.174 -14.139 17.066 944 HA GLU 115 HA GLU 115 5.328 -16.808 16.477 945 1HB GLU 115 1HB GLU 115 3.987 -15.841 14.485 946 2HB GLU 115 2HB GLU 115 5.292 -14.662 14.351 947 1HG GLU 115 1HG GLU 115 6.816 -16.222 13.635 948 2HG GLU 115 2HG GLU 115 6.096 -17.516 14.595 949 H VAL 116 H VAL 116 6.025 -14.771 18.465 950 HA VAL 116 HA VAL 116 8.758 -14.052 17.467 951 HB VAL 116 HB VAL 116 6.825 -12.354 19.083 952 1HG1 VAL 116 1HG1 VAL 116 9.712 -12.035 18.307 953 2HG1 VAL 116 2HG1 VAL 116 8.930 -11.682 19.848 954 3HG1 VAL 116 3HG1 VAL 116 8.690 -10.606 18.471 955 1HG2 VAL 116 1HG2 VAL 116 7.605 -12.479 16.197 956 2HG2 VAL 116 2HG2 VAL 116 7.318 -10.890 16.906 957 3HG2 VAL 116 3HG2 VAL 116 6.040 -12.105 16.919 958 HA PRO 117 HA PRO 117 9.250 -16.329 21.390 959 1HB PRO 117 1HB PRO 117 11.877 -16.996 20.997 960 2HB PRO 117 2HB PRO 117 10.531 -17.915 20.294 961 1HG PRO 117 1HG PRO 117 12.297 -15.878 19.030 962 2HG PRO 117 2HG PRO 117 11.658 -17.389 18.363 963 1HD PRO 117 1HD PRO 117 10.616 -14.943 17.784 964 2HD PRO 117 2HD PRO 117 9.656 -16.439 17.780 965 H CYS 118 H CYS 118 9.438 -14.883 23.125 966 HA CYS 118 HA CYS 118 11.777 -12.998 23.101 967 1HB CYS 118 1HB CYS 118 8.892 -12.787 23.906 968 2HB CYS 118 2HB CYS 118 10.079 -11.771 24.724 969 HG CYS 118 HG CYS 118 10.789 -10.968 22.218 970 H THR 119 H THR 119 11.983 -12.219 25.670 971 HA THR 119 HA THR 119 12.101 -14.754 27.278 972 HB THR 119 HB THR 119 14.022 -12.402 27.201 973 HG1 THR 119 HG1 THR 119 15.296 -13.708 26.000 974 1HG2 THR 119 1HG2 THR 119 14.376 -13.265 29.309 975 2HG2 THR 119 2HG2 THR 119 15.410 -14.353 28.381 976 3HG2 THR 119 3HG2 THR 119 13.795 -14.870 28.864 977 H VAL 120 H VAL 120 10.626 -14.548 28.977 978 HA VAL 120 HA VAL 120 10.568 -11.941 30.439 979 HB VAL 120 HB VAL 120 8.718 -12.015 28.809 980 1HG1 VAL 120 1HG1 VAL 120 8.077 -14.631 30.196 981 2HG1 VAL 120 2HG1 VAL 120 8.447 -14.386 28.489 982 3HG1 VAL 120 3HG1 VAL 120 6.933 -13.779 29.160 983 1HG2 VAL 120 1HG2 VAL 120 7.517 -12.594 31.518 984 2HG2 VAL 120 2HG2 VAL 120 6.981 -11.431 30.306 985 3HG2 VAL 120 3HG2 VAL 120 8.453 -11.128 31.228 986 1H GLN 1 1H GLN 1 20.468 -2.605 -17.350 987 2H GLN 1 2H GLN 1 20.052 -3.005 -15.752 988 3H GLN 1 3H GLN 1 18.923 -2.229 -16.758 989 HA GLN 1 HA GLN 1 18.684 -4.151 -18.132 990 1HB GLN 1 1HB GLN 1 21.167 -4.575 -17.979 991 2HB GLN 1 2HB GLN 1 20.891 -5.306 -16.397 992 1HG GLN 1 1HG GLN 1 20.751 -7.205 -17.698 993 2HG GLN 1 2HG GLN 1 19.066 -6.688 -17.780 994 1HE2 GLN 1 1HE2 GLN 1 18.355 -6.945 -19.937 995 2HE2 GLN 1 2HE2 GLN 1 19.266 -6.509 -21.301 996 H LYS 2 H LYS 2 17.136 -3.214 -16.010 997 HA LYS 2 HA LYS 2 16.500 -5.741 -14.526 998 1HB LYS 2 1HB LYS 2 16.798 -2.891 -13.555 999 2HB LYS 2 2HB LYS 2 15.924 -4.106 -12.621 1000 1HG LYS 2 1HG LYS 2 18.016 -5.567 -12.849 1001 2HG LYS 2 2HG LYS 2 18.840 -4.113 -13.410 1002 1HD LYS 2 1HD LYS 2 19.259 -4.052 -11.109 1003 2HD LYS 2 2HD LYS 2 17.834 -3.023 -11.253 1004 1HE LYS 2 1HE LYS 2 17.193 -4.454 -9.507 1005 2HE LYS 2 2HE LYS 2 16.540 -5.321 -10.911 1006 1HZ LYS 2 1HZ LYS 2 19.291 -5.731 -9.878 1007 2HZ LYS 2 2HZ LYS 2 18.470 -6.665 -11.035 1008 3HZ LYS 2 3HZ LYS 2 17.977 -6.695 -9.410 1009 H THR 3 H THR 3 14.532 -6.302 -15.547 1010 HA THR 3 HA THR 3 12.412 -4.180 -15.586 1011 HB THR 3 HB THR 3 12.543 -6.332 -17.669 1012 HG1 THR 3 HG1 THR 3 14.075 -5.269 -18.788 1013 1HG2 THR 3 1HG2 THR 3 11.517 -4.613 -19.039 1014 2HG2 THR 3 2HG2 THR 3 11.823 -3.394 -17.803 1015 3HG2 THR 3 3HG2 THR 3 10.662 -4.686 -17.499 1016 H GLY 4 H GLY 4 10.230 -5.016 -15.207 1017 1HA GLY 4 1HA GLY 4 8.745 -6.983 -14.953 1018 2HA GLY 4 2HA GLY 4 10.134 -7.874 -14.328 1019 H THR 5 H THR 5 9.246 -8.347 -12.246 1020 HA THR 5 HA THR 5 8.660 -5.947 -10.538 1021 HB THR 5 HB THR 5 7.686 -8.708 -9.905 1022 HG1 THR 5 HG1 THR 5 6.069 -8.548 -11.380 1023 1HG2 THR 5 1HG2 THR 5 7.329 -6.530 -8.546 1024 2HG2 THR 5 2HG2 THR 5 5.925 -7.555 -8.848 1025 3HG2 THR 5 3HG2 THR 5 6.180 -6.101 -9.813 1026 H ALA 6 H ALA 6 9.725 -9.401 -10.205 1027 HA ALA 6 HA ALA 6 11.315 -10.358 -8.752 1028 1HB ALA 6 1HB ALA 6 12.356 -7.863 -9.884 1029 2HB ALA 6 2HB ALA 6 13.145 -9.431 -9.725 1030 3HB ALA 6 3HB ALA 6 13.151 -8.301 -8.371 1031 H GLU 7 H GLU 7 9.005 -9.004 -7.431 1032 HA GLU 7 HA GLU 7 8.357 -8.328 -5.272 1033 1HB GLU 7 1HB GLU 7 11.129 -9.388 -4.609 1034 2HB GLU 7 2HB GLU 7 9.799 -9.175 -3.471 1035 1HG GLU 7 1HG GLU 7 8.441 -10.777 -4.838 1036 2HG GLU 7 2HG GLU 7 9.865 -11.070 -5.836 1037 H VAL 8 H VAL 8 9.064 -6.166 -6.729 1038 HA VAL 8 HA VAL 8 11.298 -4.589 -5.908 1039 HB VAL 8 HB VAL 8 8.478 -3.711 -6.651 1040 1HG1 VAL 8 1HG1 VAL 8 9.438 -1.560 -7.188 1041 2HG1 VAL 8 2HG1 VAL 8 11.069 -2.151 -6.864 1042 3HG1 VAL 8 3HG1 VAL 8 9.923 -1.955 -5.538 1043 1HG2 VAL 8 1HG2 VAL 8 9.166 -4.812 -8.553 1044 2HG2 VAL 8 2HG2 VAL 8 10.877 -4.618 -8.170 1045 3HG2 VAL 8 3HG2 VAL 8 9.966 -3.269 -8.848 1046 H SER 9 H SER 9 8.043 -4.879 -4.411 1047 HA SER 9 HA SER 9 8.376 -2.922 -2.340 1048 1HB SER 9 1HB SER 9 6.567 -4.104 -1.238 1049 2HB SER 9 2HB SER 9 6.279 -4.224 -2.973 1050 HG SER 9 HG SER 9 6.185 -6.297 -2.472 1051 H SER 10 H SER 10 9.408 -6.358 -2.504 1052 HA SER 10 HA SER 10 10.392 -6.505 0.226 1053 1HB SER 10 1HB SER 10 9.934 -8.494 -1.152 1054 2HB SER 10 2HB SER 10 11.164 -7.997 -2.312 1055 HG SER 10 HG SER 10 11.974 -9.538 -0.836 1056 H ILE 11 H ILE 11 11.995 -5.751 -2.908 1057 HA ILE 11 HA ILE 11 14.635 -5.359 -1.780 1058 HB ILE 11 HB ILE 11 13.336 -4.164 -4.263 1059 1HG1 ILE 11 1HG1 ILE 11 15.245 -6.429 -4.449 1060 2HG1 ILE 11 2HG1 ILE 11 13.684 -6.816 -3.729 1061 1HG2 ILE 11 1HG2 ILE 11 15.312 -2.925 -3.941 1062 2HG2 ILE 11 2HG2 ILE 11 15.828 -4.230 -5.010 1063 3HG2 ILE 11 3HG2 ILE 11 16.183 -4.312 -3.284 1064 1HD1 ILE 11 1HD1 ILE 11 13.772 -5.203 -6.259 1065 2HD1 ILE 11 2HD1 ILE 11 12.503 -6.274 -5.665 1066 3HD1 ILE 11 3HD1 ILE 11 13.985 -6.952 -6.341 1067 H LEU 12 H LEU 12 11.886 -3.117 -2.367 1068 HA LEU 12 HA LEU 12 13.233 -0.687 -1.638 1069 1HB LEU 12 1HB LEU 12 10.954 -0.913 -2.699 1070 2HB LEU 12 2HB LEU 12 10.328 -1.425 -1.132 1071 HG LEU 12 HG LEU 12 11.453 0.784 -0.268 1072 1HD1 LEU 12 1HD1 LEU 12 12.531 1.162 -2.544 1073 2HD1 LEU 12 2HD1 LEU 12 11.643 2.538 -1.890 1074 3HD1 LEU 12 3HD1 LEU 12 10.919 1.539 -3.150 1075 1HD2 LEU 12 1HD2 LEU 12 8.891 0.512 -1.840 1076 2HD2 LEU 12 2HD2 LEU 12 9.327 2.041 -1.076 1077 3HD2 LEU 12 3HD2 LEU 12 9.105 0.595 -0.091 1078 H GLU 13 H GLU 13 11.640 -3.189 0.393 1079 HA GLU 13 HA GLU 13 11.657 -1.780 2.881 1080 1HB GLU 13 1HB GLU 13 10.645 -4.069 2.285 1081 2HB GLU 13 2HB GLU 13 12.257 -4.734 2.552 1082 1HG GLU 13 1HG GLU 13 11.183 -2.942 4.672 1083 2HG GLU 13 2HG GLU 13 10.440 -4.535 4.528 1084 H GLU 14 H GLU 14 14.270 -3.668 1.288 1085 HA GLU 14 HA GLU 14 16.152 -3.596 3.458 1086 1HB GLU 14 1HB GLU 14 16.280 -3.877 0.474 1087 2HB GLU 14 2HB GLU 14 17.790 -3.594 1.342 1088 1HG GLU 14 1HG GLU 14 17.162 -5.511 2.870 1089 2HG GLU 14 2HG GLU 14 15.826 -5.859 1.772 1090 H ARG 15 H ARG 15 15.520 -1.221 0.835 1091 HA ARG 15 HA ARG 15 17.688 0.567 1.462 1092 1HB ARG 15 1HB ARG 15 16.302 0.621 -0.614 1093 2HB ARG 15 2HB ARG 15 14.938 1.211 0.338 1094 1HG ARG 15 1HG ARG 15 15.818 3.312 0.548 1095 2HG ARG 15 2HG ARG 15 17.476 2.718 0.651 1096 1HD ARG 15 1HD ARG 15 16.189 2.281 -1.980 1097 2HD ARG 15 2HD ARG 15 16.468 3.982 -1.556 1098 HE ARG 15 HE ARG 15 18.550 1.966 -2.001 1099 1HH1 ARG 15 1HH2 ARG 15 18.296 5.089 -2.469 1100 2HH1 ARG 15 2HH2 ARG 15 19.623 5.619 -1.489 1101 1HH2 ARG 15 1HH1 ARG 15 19.995 2.570 0.122 1102 2HH2 ARG 15 2HH1 ARG 15 20.584 4.193 -0.023 1103 H ILE 16 H ILE 16 14.382 0.307 2.838 1104 HA ILE 16 HA ILE 16 14.745 2.747 4.465 1105 HB ILE 16 HB ILE 16 12.629 0.561 4.540 1106 1HG1 ILE 16 1HG1 ILE 16 12.121 3.260 3.378 1107 2HG1 ILE 16 2HG1 ILE 16 13.110 2.158 2.420 1108 1HG2 ILE 16 1HG2 ILE 16 12.408 3.412 5.524 1109 2HG2 ILE 16 2HG2 ILE 16 12.900 2.088 6.580 1110 3HG2 ILE 16 3HG2 ILE 16 11.305 2.070 5.827 1111 1HD1 ILE 16 1HD1 ILE 16 10.483 2.120 2.177 1112 2HD1 ILE 16 2HD1 ILE 16 10.566 1.140 3.641 1113 3HD1 ILE 16 3HD1 ILE 16 11.392 0.609 2.175 1114 H LEU 17 H LEU 17 14.769 -0.808 5.034 1115 HA LEU 17 HA LEU 17 16.144 -0.258 7.639 1116 1HB LEU 17 1HB LEU 17 13.598 -1.637 7.023 1117 2HB LEU 17 2HB LEU 17 14.662 -2.511 8.125 1118 HG LEU 17 HG LEU 17 14.174 0.419 8.566 1119 1HD1 LEU 17 1HD1 LEU 17 12.230 -0.129 9.968 1120 2HD1 LEU 17 2HD1 LEU 17 12.361 -1.825 9.506 1121 3HD1 LEU 17 3HD1 LEU 17 11.936 -0.612 8.299 1122 1HD2 LEU 17 1HD2 LEU 17 14.693 -1.955 10.386 1123 2HD2 LEU 17 2HD2 LEU 17 14.538 -0.281 10.917 1124 3HD2 LEU 17 3HD2 LEU 17 15.888 -0.758 9.887 1125 H GLY 18 H GLY 18 17.554 -2.081 8.336 1126 1HA GLY 18 1HA GLY 18 18.729 -4.132 7.965 1127 2HA GLY 18 2HA GLY 18 17.992 -4.243 6.366 1128 H ALA 19 H ALA 19 19.774 -1.459 7.774 1129 HA ALA 19 HA ALA 19 21.790 -1.797 5.573 1130 1HB ALA 19 1HB ALA 19 20.797 0.139 4.884 1131 2HB ALA 19 2HB ALA 19 21.736 0.884 6.178 1132 3HB ALA 19 3HB ALA 19 20.057 0.424 6.459 1133 H ASP 20 H ASP 20 21.360 -0.001 8.697 1134 HA ASP 20 HA ASP 20 24.219 -0.676 9.324 1135 1HB ASP 20 1HB ASP 20 22.427 1.674 10.000 1136 2HB ASP 20 2HB ASP 20 24.007 1.429 10.746 1137 H THR 21 H THR 21 23.318 -2.780 10.278 1138 HA THR 21 HA THR 21 22.376 -2.287 13.075 1139 HB THR 21 HB THR 21 20.438 -2.828 11.662 1140 HG1 THR 21 HG1 THR 21 19.728 -4.535 12.871 1141 1HG2 THR 21 1HG2 THR 21 22.329 -4.808 10.570 1142 2HG2 THR 21 2HG2 THR 21 20.928 -4.050 9.813 1143 3HG2 THR 21 3HG2 THR 21 20.712 -5.444 10.871 1144 H SER 22 H SER 22 25.086 -2.924 12.157 1145 HA SER 22 HA SER 22 25.352 -5.720 13.220 1146 1HB SER 22 1HB SER 22 25.826 -5.332 10.760 1147 2HB SER 22 2HB SER 22 27.145 -4.271 11.247 1148 HG SER 22 HG SER 22 28.212 -5.970 12.086 1149 H VAL 23 H VAL 23 25.532 -4.553 15.405 1150 HA VAL 23 HA VAL 23 28.244 -3.303 15.741 1151 HB VAL 23 HB VAL 23 25.667 -2.935 17.315 1152 1HG1 VAL 23 1HG1 VAL 23 27.962 -1.045 17.514 1153 2HG1 VAL 23 2HG1 VAL 23 28.149 -2.604 18.313 1154 3HG1 VAL 23 3HG1 VAL 23 26.808 -1.546 18.749 1155 1HG2 VAL 23 1HG2 VAL 23 25.595 -1.950 15.038 1156 2HG2 VAL 23 2HG2 VAL 23 27.090 -1.079 15.376 1157 3HG2 VAL 23 3HG2 VAL 23 25.625 -0.698 16.280 1158 H ASP 24 H ASP 24 29.243 -5.441 16.155 1159 HA ASP 24 HA ASP 24 28.320 -6.737 18.702 1160 1HB ASP 24 1HB ASP 24 28.479 -7.822 16.239 1161 2HB ASP 24 2HB ASP 24 30.135 -8.106 16.774 1162 H LEU 25 H LEU 25 31.359 -6.224 16.784 1163 HA LEU 25 HA LEU 25 32.754 -5.716 19.389 1164 1HB LEU 25 1HB LEU 25 34.658 -7.001 18.441 1165 2HB LEU 25 2HB LEU 25 33.204 -7.989 18.565 1166 HG LEU 25 HG LEU 25 33.489 -6.535 16.004 1167 1HD1 LEU 25 1HD1 LEU 25 35.860 -7.249 16.631 1168 2HD1 LEU 25 2HD1 LEU 25 35.245 -7.883 15.104 1169 3HD1 LEU 25 3HD1 LEU 25 35.282 -8.913 16.536 1170 1HD2 LEU 25 1HD2 LEU 25 31.835 -8.076 15.745 1171 2HD2 LEU 25 2HD2 LEU 25 32.417 -9.066 17.082 1172 3HD2 LEU 25 3HD2 LEU 25 33.149 -9.219 15.485 Start of MODEL 3 1 1H PHE 1 1H PHE 1 -13.277 -28.969 -16.894 2 2H PHE 1 2H PHE 1 -14.472 -29.729 -17.834 3 3H PHE 1 3H PHE 1 -14.575 -29.757 -16.138 4 HA PHE 1 HA PHE 1 -14.814 -27.298 -16.150 5 1HB PHE 1 1HB PHE 1 -13.687 -27.561 -18.585 6 2HB PHE 1 2HB PHE 1 -15.381 -27.504 -19.072 7 HD1 PHE 1 HD1 PHE 1 -16.826 -25.570 -18.245 8 HD2 PHE 1 HD2 PHE 1 -12.542 -25.595 -17.924 9 HE1 PHE 1 HE1 PHE 1 -16.834 -23.110 -17.929 10 HE2 PHE 1 HE2 PHE 1 -12.551 -23.135 -17.608 11 HZ PHE 1 HZ PHE 1 -14.697 -21.892 -17.610 12 H ALA 2 H ALA 2 -16.620 -28.521 -14.995 13 HA ALA 2 HA ALA 2 -19.071 -28.660 -16.724 14 1HB ALA 2 1HB ALA 2 -18.385 -30.902 -16.224 15 2HB ALA 2 2HB ALA 2 -19.704 -30.546 -15.109 16 3HB ALA 2 3HB ALA 2 -18.034 -30.491 -14.546 17 H LYS 3 H LYS 3 -21.066 -27.997 -15.621 18 HA LYS 3 HA LYS 3 -22.292 -26.608 -14.161 19 1HB LYS 3 1HB LYS 3 -20.363 -28.101 -12.372 20 2HB LYS 3 2HB LYS 3 -21.617 -27.048 -11.716 21 1HG LYS 3 1HG LYS 3 -23.354 -28.353 -12.825 22 2HG LYS 3 2HG LYS 3 -22.135 -29.362 -13.605 23 1HD LYS 3 1HD LYS 3 -22.598 -30.707 -11.792 24 2HD LYS 3 2HD LYS 3 -21.346 -29.696 -11.068 25 1HE LYS 3 1HE LYS 3 -23.438 -28.121 -10.520 26 2HE LYS 3 2HE LYS 3 -24.300 -29.671 -10.597 27 1HZ LYS 3 1HZ LYS 3 -22.693 -30.629 -9.092 28 2HZ LYS 3 2HZ LYS 3 -23.379 -29.249 -8.375 29 3HZ LYS 3 3HZ LYS 3 -21.816 -29.178 -9.040 30 H LEU 4 H LEU 4 -21.803 -24.918 -12.140 31 HA LEU 4 HA LEU 4 -19.330 -23.379 -12.857 32 1HB LEU 4 1HB LEU 4 -22.225 -22.654 -12.903 33 2HB LEU 4 2HB LEU 4 -21.098 -21.415 -12.348 34 HG LEU 4 HG LEU 4 -19.755 -22.260 -14.523 35 1HD1 LEU 4 1HD1 LEU 4 -22.544 -22.353 -15.593 36 2HD1 LEU 4 2HD1 LEU 4 -21.907 -23.811 -14.833 37 3HD1 LEU 4 3HD1 LEU 4 -21.077 -23.104 -16.220 38 1HD2 LEU 4 1HD2 LEU 4 -22.079 -20.306 -14.507 39 2HD2 LEU 4 2HD2 LEU 4 -20.806 -20.352 -15.726 40 3HD2 LEU 4 3HD2 LEU 4 -20.414 -19.940 -14.057 41 H VAL 5 H VAL 5 -18.528 -22.014 -11.063 42 HA VAL 5 HA VAL 5 -19.829 -22.471 -8.415 43 HB VAL 5 HB VAL 5 -18.137 -24.230 -8.783 44 1HG1 VAL 5 1HG1 VAL 5 -16.291 -21.872 -9.254 45 2HG1 VAL 5 2HG1 VAL 5 -16.701 -23.148 -10.401 46 3HG1 VAL 5 3HG1 VAL 5 -15.727 -23.520 -8.979 47 1HG2 VAL 5 1HG2 VAL 5 -18.453 -23.092 -6.518 48 2HG2 VAL 5 2HG2 VAL 5 -16.991 -22.173 -6.880 49 3HG2 VAL 5 3HG2 VAL 5 -16.916 -23.930 -6.747 50 H ARG 6 H ARG 6 -19.103 -20.849 -6.775 51 HA ARG 6 HA ARG 6 -17.853 -18.423 -8.030 52 1HB ARG 6 1HB ARG 6 -20.172 -18.793 -6.121 53 2HB ARG 6 2HB ARG 6 -19.385 -17.230 -6.342 54 1HG ARG 6 1HG ARG 6 -20.433 -18.845 -8.672 55 2HG ARG 6 2HG ARG 6 -21.438 -17.681 -7.809 56 1HD ARG 6 1HD ARG 6 -19.191 -16.180 -8.245 57 2HD ARG 6 2HD ARG 6 -19.217 -17.195 -9.701 58 HE ARG 6 HE ARG 6 -21.579 -15.587 -8.792 59 1HH1 ARG 6 1HH2 ARG 6 -19.251 -15.463 -11.104 60 2HH1 ARG 6 2HH2 ARG 6 -20.306 -15.560 -12.474 61 1HH2 ARG 6 1HH1 ARG 6 -23.099 -16.393 -10.596 62 2HH2 ARG 6 2HH1 ARG 6 -22.485 -16.087 -12.186 63 HA PRO 7 HA PRO 7 -15.384 -19.730 -4.327 64 1HB PRO 7 1HB PRO 7 -12.922 -19.314 -5.447 65 2HB PRO 7 2HB PRO 7 -13.813 -20.841 -5.613 66 1HG PRO 7 1HG PRO 7 -13.517 -18.602 -7.549 67 2HG PRO 7 2HG PRO 7 -13.555 -20.349 -7.838 68 1HD PRO 7 1HD PRO 7 -15.683 -18.692 -8.277 69 2HD PRO 7 2HD PRO 7 -15.837 -20.421 -7.898 70 HA PRO 8 HA PRO 8 -14.865 -15.468 -3.214 71 1HB PRO 8 1HB PRO 8 -13.315 -15.742 -0.976 72 2HB PRO 8 2HB PRO 8 -15.049 -16.125 -1.001 73 1HG PRO 8 1HG PRO 8 -12.705 -17.951 -1.143 74 2HG PRO 8 2HG PRO 8 -14.254 -18.162 -0.311 75 1HD PRO 8 1HD PRO 8 -13.642 -19.343 -2.696 76 2HD PRO 8 2HD PRO 8 -15.299 -18.955 -2.182 77 H VAL 9 H VAL 9 -12.695 -14.103 -2.258 78 HA VAL 9 HA VAL 9 -10.273 -14.971 -3.745 79 HB VAL 9 HB VAL 9 -10.221 -12.774 -4.937 80 1HG1 VAL 9 1HG1 VAL 9 -11.722 -13.438 -6.647 81 2HG1 VAL 9 2HG1 VAL 9 -12.832 -14.183 -5.496 82 3HG1 VAL 9 3HG1 VAL 9 -11.277 -14.941 -5.838 83 1HG2 VAL 9 1HG2 VAL 9 -13.026 -12.128 -4.714 84 2HG2 VAL 9 2HG2 VAL 9 -11.632 -11.112 -4.351 85 3HG2 VAL 9 3HG2 VAL 9 -12.313 -12.150 -3.101 86 H GLN 10 H GLN 10 -9.137 -15.028 -1.710 87 HA GLN 10 HA GLN 10 -8.467 -12.333 -0.618 88 1HB GLN 10 1HB GLN 10 -9.483 -14.728 0.953 89 2HB GLN 10 2HB GLN 10 -8.846 -13.253 1.683 90 1HG GLN 10 1HG GLN 10 -10.602 -11.963 0.409 91 2HG GLN 10 2HG GLN 10 -11.304 -13.510 -0.069 92 1HE2 GLN 10 1HE2 GLN 10 -10.069 -12.104 3.062 93 2HE2 GLN 10 2HE2 GLN 10 -11.418 -12.606 3.960 94 H ILE 11 H ILE 11 -6.244 -12.227 -0.072 95 HA ILE 11 HA ILE 11 -4.009 -12.915 0.167 96 HB ILE 11 HB ILE 11 -5.427 -15.425 1.079 97 1HG1 ILE 11 1HG1 ILE 11 -4.625 -14.326 3.345 98 2HG1 ILE 11 2HG1 ILE 11 -4.629 -12.847 2.384 99 1HG2 ILE 11 1HG2 ILE 11 -3.101 -15.407 2.446 100 2HG2 ILE 11 2HG2 ILE 11 -2.570 -14.625 0.955 101 3HG2 ILE 11 3HG2 ILE 11 -3.286 -16.235 0.900 102 1HD1 ILE 11 1HD1 ILE 11 -7.016 -14.649 2.247 103 2HD1 ILE 11 2HD1 ILE 11 -6.923 -12.897 2.060 104 3HD1 ILE 11 3HD1 ILE 11 -6.814 -13.620 3.665 105 H TYR 12 H TYR 12 -2.537 -13.539 -1.427 106 HA TYR 12 HA TYR 12 -3.305 -15.790 -3.245 107 1HB TYR 12 1HB TYR 12 -2.355 -13.068 -4.218 108 2HB TYR 12 2HB TYR 12 -3.038 -14.372 -5.187 109 HD1 TYR 12 HD1 TYR 12 -5.435 -14.655 -5.387 110 HD2 TYR 12 HD2 TYR 12 -3.810 -11.840 -2.577 111 HE1 TYR 12 HE1 TYR 12 -7.704 -13.762 -4.953 112 HE2 TYR 12 HE2 TYR 12 -6.069 -10.973 -2.131 113 HH TYR 12 HH TYR 12 -8.494 -11.155 -3.971 114 H GLY 13 H GLY 13 -0.694 -13.297 -2.848 115 1HA GLY 13 1HA GLY 13 1.383 -14.821 -1.936 116 2HA GLY 13 2HA GLY 13 1.322 -15.290 -3.634 117 H ILE 14 H ILE 14 1.826 -13.652 -5.266 118 HA ILE 14 HA ILE 14 3.932 -11.856 -4.583 119 HB ILE 14 HB ILE 14 3.131 -12.799 -6.874 120 1HG1 ILE 14 1HG1 ILE 14 5.088 -11.335 -6.609 121 2HG1 ILE 14 2HG1 ILE 14 4.217 -10.953 -8.091 122 1HG2 ILE 14 1HG2 ILE 14 1.519 -10.231 -6.820 123 2HG2 ILE 14 2HG2 ILE 14 0.853 -11.864 -6.826 124 3HG2 ILE 14 3HG2 ILE 14 1.752 -11.274 -8.224 125 1HD1 ILE 14 1HD1 ILE 14 4.521 -9.348 -5.600 126 2HD1 ILE 14 2HD1 ILE 14 2.968 -9.246 -6.429 127 3HD1 ILE 14 3HD1 ILE 14 4.451 -8.815 -7.279 128 H GLU 15 H GLU 15 0.405 -11.235 -4.794 129 HA GLU 15 HA GLU 15 0.623 -8.375 -4.289 130 1HB GLU 15 1HB GLU 15 -1.542 -10.457 -4.245 131 2HB GLU 15 2HB GLU 15 -1.870 -8.891 -3.503 132 1HG GLU 15 1HG GLU 15 -1.835 -7.780 -5.506 133 2HG GLU 15 2HG GLU 15 -0.581 -8.821 -6.179 134 H GLY 16 H GLY 16 0.220 -11.252 -2.161 135 1HA GLY 16 1HA GLY 16 -0.202 -9.777 0.262 136 2HA GLY 16 2HA GLY 16 0.413 -11.430 0.169 137 H ARG 17 H ARG 17 2.778 -10.910 -1.393 138 HA ARG 17 HA ARG 17 4.657 -10.186 0.642 139 1HB ARG 17 1HB ARG 17 4.718 -10.480 -2.348 140 2HB ARG 17 2HB ARG 17 6.125 -9.787 -1.540 141 1HG ARG 17 1HG ARG 17 5.707 -11.893 0.081 142 2HG ARG 17 2HG ARG 17 5.039 -12.556 -1.411 143 1HD ARG 17 1HD ARG 17 7.104 -12.279 -2.581 144 2HD ARG 17 2HD ARG 17 7.766 -11.233 -1.309 145 HE ARG 17 HE ARG 17 7.609 -13.268 0.209 146 1HH1 ARG 17 1HH1 ARG 17 9.253 -13.308 -2.611 147 2HH1 ARG 17 2HH1 ARG 17 9.203 -15.019 -2.873 148 1HH2 ARG 17 1HH2 ARG 17 6.862 -15.600 -0.381 149 2HH2 ARG 17 2HH2 ARG 17 7.849 -16.317 -1.610 150 H TYR 18 H TYR 18 2.839 -8.090 -1.592 151 HA TYR 18 HA TYR 18 4.580 -5.796 -1.432 152 1HB TYR 18 1HB TYR 18 1.715 -6.329 -2.097 153 2HB TYR 18 2HB TYR 18 2.116 -4.672 -1.664 154 HD1 TYR 18 HD1 TYR 18 2.530 -3.298 -3.477 155 HD2 TYR 18 HD2 TYR 18 3.743 -7.414 -3.661 156 HE1 TYR 18 HE1 TYR 18 3.443 -2.925 -5.749 157 HE2 TYR 18 HE2 TYR 18 4.659 -7.042 -5.936 158 HH TYR 18 HH TYR 18 5.578 -4.740 -7.192 159 H ALA 19 H ALA 19 1.768 -6.769 0.596 160 HA ALA 19 HA ALA 19 2.138 -4.505 2.426 161 1HB ALA 19 1HB ALA 19 0.448 -6.984 2.298 162 2HB ALA 19 2HB ALA 19 -0.055 -5.301 2.453 163 3HB ALA 19 3HB ALA 19 0.601 -6.157 3.849 164 H THR 20 H THR 20 3.038 -7.986 2.451 165 HA THR 20 HA THR 20 4.201 -7.827 5.114 166 HB THR 20 HB THR 20 5.346 -10.032 3.974 167 HG1 THR 20 HG1 THR 20 3.846 -10.843 2.508 168 1HG2 THR 20 1HG2 THR 20 3.120 -11.151 4.740 169 2HG2 THR 20 2HG2 THR 20 2.655 -9.519 5.228 170 3HG2 THR 20 3HG2 THR 20 4.079 -10.283 5.939 171 H ALA 21 H ALA 21 5.486 -7.189 1.857 172 HA ALA 21 HA ALA 21 8.266 -7.216 2.847 173 1HB ALA 21 1HB ALA 21 6.974 -6.235 0.276 174 2HB ALA 21 2HB ALA 21 7.806 -7.771 0.514 175 3HB ALA 21 3HB ALA 21 8.715 -6.259 0.552 176 H LEU 22 H LEU 22 5.629 -4.898 2.811 177 HA LEU 22 HA LEU 22 7.551 -2.639 3.246 178 1HB LEU 22 1HB LEU 22 5.658 -2.341 1.655 179 2HB LEU 22 2HB LEU 22 4.524 -2.723 2.949 180 HG LEU 22 HG LEU 22 6.100 -0.721 4.069 181 1HD1 LEU 22 1HD1 LEU 22 5.885 -0.375 1.108 182 2HD1 LEU 22 2HD1 LEU 22 7.174 0.117 2.206 183 3HD1 LEU 22 3HD1 LEU 22 5.680 1.050 2.127 184 1HD2 LEU 22 1HD2 LEU 22 3.978 0.698 3.223 185 2HD2 LEU 22 2HD2 LEU 22 3.856 -0.497 4.515 186 3HD2 LEU 22 3HD2 LEU 22 3.378 -0.923 2.872 187 H TYR 23 H TYR 23 4.836 -4.382 4.828 188 HA TYR 23 HA TYR 23 5.248 -2.878 7.299 189 1HB TYR 23 1HB TYR 23 3.140 -3.586 7.669 190 2HB TYR 23 2HB TYR 23 3.180 -4.398 6.115 191 HD1 TYR 23 HD1 TYR 23 2.913 -6.704 6.009 192 HD2 TYR 23 HD2 TYR 23 4.133 -4.881 9.682 193 HE1 TYR 23 HE1 TYR 23 2.787 -8.887 7.118 194 HE2 TYR 23 HE2 TYR 23 3.967 -7.056 10.838 195 HH TYR 23 HH TYR 23 4.123 -9.803 9.580 196 H SER 24 H SER 24 6.811 -5.666 5.839 197 HA SER 24 HA SER 24 7.487 -7.259 8.099 198 1HB SER 24 1HB SER 24 8.352 -8.104 6.110 199 2HB SER 24 2HB SER 24 8.814 -6.511 5.518 200 HG SER 24 HG SER 24 10.556 -7.981 6.239 201 H ALA 25 H ALA 25 8.933 -4.178 6.967 202 HA ALA 25 HA ALA 25 10.836 -4.022 9.201 203 1HB ALA 25 1HB ALA 25 11.465 -2.753 7.302 204 2HB ALA 25 2HB ALA 25 10.784 -1.520 8.363 205 3HB ALA 25 3HB ALA 25 9.821 -2.172 7.037 206 H ALA 26 H ALA 26 7.583 -2.694 8.403 207 HA ALA 26 HA ALA 26 7.202 -1.059 10.721 208 1HB ALA 26 1HB ALA 26 5.076 -2.794 9.424 209 2HB ALA 26 2HB ALA 26 5.715 -1.344 8.650 210 3HB ALA 26 3HB ALA 26 4.861 -1.218 10.188 211 H SER 27 H SER 27 6.772 -4.611 10.324 212 HA SER 27 HA SER 27 5.485 -5.206 12.812 213 1HB SER 27 1HB SER 27 5.946 -6.823 10.955 214 2HB SER 27 2HB SER 27 7.656 -6.790 11.375 215 HG SER 27 HG SER 27 6.864 -8.483 12.491 216 H LYS 28 H LYS 28 8.986 -4.811 12.066 217 HA LYS 28 HA LYS 28 9.862 -5.324 14.808 218 1HB LYS 28 1HB LYS 28 11.101 -5.207 12.398 219 2HB LYS 28 2HB LYS 28 11.481 -3.591 12.994 220 1HG LYS 28 1HG LYS 28 12.200 -4.765 15.177 221 2HG LYS 28 2HG LYS 28 12.185 -6.254 14.229 222 1HD LYS 28 1HD LYS 28 13.625 -4.842 12.534 223 2HD LYS 28 2HD LYS 28 13.967 -3.855 13.955 224 1HE LYS 28 1HE LYS 28 14.477 -6.171 15.105 225 2HE LYS 28 2HE LYS 28 14.699 -6.724 13.434 226 1HZ LYS 28 1HZ LYS 28 16.774 -5.851 14.184 227 2HZ LYS 28 2HZ LYS 28 16.042 -4.428 14.755 228 3HZ LYS 28 3HZ LYS 28 16.122 -4.734 13.086 229 H GLN 29 H GLN 29 9.070 -2.365 12.926 230 HA GLN 29 HA GLN 29 9.746 -0.591 15.178 231 1HB GLN 29 1HB GLN 29 9.696 -0.225 12.534 232 2HB GLN 29 2HB GLN 29 8.040 0.278 12.879 233 1HG GLN 29 1HG GLN 29 9.137 2.297 13.170 234 2HG GLN 29 2HG GLN 29 9.228 1.660 14.814 235 1HE2 GLN 29 1HE2 GLN 29 11.144 1.891 11.756 236 2HE2 GLN 29 2HE2 GLN 29 12.649 1.764 12.530 237 H ASN 30 H ASN 30 7.037 -2.620 14.610 238 HA ASN 30 HA ASN 30 4.988 -2.778 15.721 239 1HB ASN 30 1HB ASN 30 6.579 -1.755 17.568 240 2HB ASN 30 2HB ASN 30 5.638 -0.291 17.281 241 1HD2 ASN 30 1HD2 ASN 30 3.186 -0.509 17.569 242 2HD2 ASN 30 2HD2 ASN 30 2.610 -1.680 18.655 243 H LYS 31 H LYS 31 5.172 -1.371 13.215 244 HA LYS 31 HA LYS 31 3.255 0.892 13.624 245 1HB LYS 31 1HB LYS 31 5.437 0.233 11.726 246 2HB LYS 31 2HB LYS 31 4.034 1.046 11.028 247 1HG LYS 31 1HG LYS 31 5.337 2.861 11.713 248 2HG LYS 31 2HG LYS 31 4.267 2.642 13.098 249 1HD LYS 31 1HD LYS 31 6.240 0.950 13.810 250 2HD LYS 31 2HD LYS 31 7.180 2.090 12.847 251 1HE LYS 31 1HE LYS 31 7.260 3.127 14.942 252 2HE LYS 31 2HE LYS 31 5.803 3.885 14.268 253 1HZ LYS 31 1HZ LYS 31 5.873 1.419 15.929 254 2HZ LYS 31 2HZ LYS 31 4.477 2.107 15.247 255 3HZ LYS 31 3HZ LYS 31 5.341 2.943 16.448 256 H LEU 32 H LEU 32 2.800 -2.308 13.244 257 HA LEU 32 HA LEU 32 1.414 -2.867 10.857 258 1HB LEU 32 1HB LEU 32 1.168 -3.688 13.739 259 2HB LEU 32 2HB LEU 32 -0.098 -4.202 12.628 260 HG LEU 32 HG LEU 32 1.865 -5.824 12.929 261 1HD1 LEU 32 1HD1 LEU 32 0.195 -5.488 10.906 262 2HD1 LEU 32 2HD1 LEU 32 1.538 -6.618 10.784 263 3HD1 LEU 32 3HD1 LEU 32 1.664 -5.016 10.055 264 1HD2 LEU 32 1HD2 LEU 32 3.888 -5.335 11.597 265 2HD2 LEU 32 2HD2 LEU 32 3.691 -4.180 12.896 266 3HD2 LEU 32 3HD2 LEU 32 3.273 -3.727 11.243 267 H GLU 33 H GLU 33 0.262 -0.988 13.687 268 HA GLU 33 HA GLU 33 -2.438 -0.618 12.568 269 1HB GLU 33 1HB GLU 33 -0.830 0.527 14.857 270 2HB GLU 33 2HB GLU 33 -2.358 1.278 14.396 271 1HG GLU 33 1HG GLU 33 -3.614 -0.533 15.072 272 2HG GLU 33 2HG GLU 33 -2.329 -1.689 14.717 273 H GLN 34 H GLN 34 0.603 1.296 12.741 274 HA GLN 34 HA GLN 34 -0.352 3.661 11.417 275 1HB GLN 34 1HB GLN 34 2.377 2.346 11.510 276 2HB GLN 34 2HB GLN 34 2.094 3.964 10.866 277 1HG GLN 34 1HG GLN 34 1.412 3.073 13.687 278 2HG GLN 34 2HG GLN 34 2.827 4.027 13.241 279 1HE2 GLN 34 1HE2 GLN 34 2.311 6.221 12.126 280 2HE2 GLN 34 2HE2 GLN 34 0.887 7.015 12.596 281 H VAL 35 H VAL 35 0.638 0.498 10.095 282 HA VAL 35 HA VAL 35 0.425 1.635 7.342 283 HB VAL 35 HB VAL 35 1.199 -1.210 7.971 284 1HG1 VAL 35 1HG1 VAL 35 2.544 -0.972 5.986 285 2HG1 VAL 35 2HG1 VAL 35 2.294 0.774 5.966 286 3HG1 VAL 35 3HG1 VAL 35 0.946 -0.314 5.632 287 1HG2 VAL 35 1HG2 VAL 35 2.816 -0.425 9.407 288 2HG2 VAL 35 2HG2 VAL 35 2.714 1.220 8.779 289 3HG2 VAL 35 3HG2 VAL 35 3.647 0.000 7.913 290 H GLU 36 H GLU 36 -0.982 -0.987 9.385 291 HA GLU 36 HA GLU 36 -2.766 -1.972 7.322 292 1HB GLU 36 1HB GLU 36 -2.023 -3.059 9.550 293 2HB GLU 36 2HB GLU 36 -3.305 -2.103 10.292 294 1HG GLU 36 1HG GLU 36 -4.771 -3.107 8.344 295 2HG GLU 36 2HG GLU 36 -3.521 -4.351 8.316 296 H LYS 37 H LYS 37 -3.024 0.834 9.481 297 HA LYS 37 HA LYS 37 -5.946 1.021 8.939 298 1HB LYS 37 1HB LYS 37 -4.972 1.388 11.227 299 2HB LYS 37 2HB LYS 37 -4.126 2.802 10.595 300 1HG LYS 37 1HG LYS 37 -6.224 3.885 10.044 301 2HG LYS 37 2HG LYS 37 -7.133 2.436 10.475 302 1HD LYS 37 1HD LYS 37 -6.230 2.642 12.811 303 2HD LYS 37 2HD LYS 37 -5.514 4.186 12.345 304 1HE LYS 37 1HE LYS 37 -7.725 5.101 11.822 305 2HE LYS 37 2HE LYS 37 -8.479 3.534 12.173 306 1HZ LYS 37 1HZ LYS 37 -7.492 3.641 14.407 307 2HZ LYS 37 2HZ LYS 37 -8.575 4.920 14.129 308 3HZ LYS 37 3HZ LYS 37 -6.900 5.194 14.067 309 H GLU 38 H GLU 38 -2.903 2.795 8.207 310 HA GLU 38 HA GLU 38 -4.389 4.891 6.755 311 1HB GLU 38 1HB GLU 38 -1.545 4.217 7.388 312 2HB GLU 38 2HB GLU 38 -1.833 5.214 5.970 313 1HG GLU 38 1HG GLU 38 -1.641 6.796 7.710 314 2HG GLU 38 2HG GLU 38 -3.381 6.611 7.503 315 H LEU 39 H LEU 39 -2.473 1.966 5.910 316 HA LEU 39 HA LEU 39 -2.637 2.248 3.048 317 1HB LEU 39 1HB LEU 39 -1.197 0.611 4.266 318 2HB LEU 39 2HB LEU 39 -2.643 -0.284 4.737 319 HG LEU 39 HG LEU 39 -3.169 -0.398 2.214 320 1HD1 LEU 39 1HD1 LEU 39 -0.884 -0.408 0.935 321 2HD1 LEU 39 2HD1 LEU 39 -0.348 0.645 2.244 322 3HD1 LEU 39 3HD1 LEU 39 -1.699 1.130 1.219 323 1HD2 LEU 39 1HD2 LEU 39 -0.645 -1.885 2.880 324 2HD2 LEU 39 2HD2 LEU 39 -2.109 -2.475 2.095 325 3HD2 LEU 39 3HD2 LEU 39 -2.097 -2.188 3.835 326 H LEU 40 H LEU 40 -4.976 0.940 5.453 327 HA LEU 40 HA LEU 40 -6.815 -0.280 3.628 328 1HB LEU 40 1HB LEU 40 -6.738 -0.130 6.257 329 2HB LEU 40 2HB LEU 40 -7.739 1.303 6.022 330 HG LEU 40 HG LEU 40 -8.398 -1.378 4.783 331 1HD1 LEU 40 1HD1 LEU 40 -8.339 -1.074 7.445 332 2HD1 LEU 40 2HD1 LEU 40 -9.613 -1.993 6.643 333 3HD1 LEU 40 3HD1 LEU 40 -9.905 -0.324 7.134 334 1HD2 LEU 40 1HD2 LEU 40 -9.655 1.324 4.946 335 2HD2 LEU 40 2HD2 LEU 40 -10.731 -0.070 5.042 336 3HD2 LEU 40 3HD2 LEU 40 -9.691 0.147 3.634 337 H ARG 41 H ARG 41 -6.441 3.164 4.573 338 HA ARG 41 HA ARG 41 -8.817 4.208 3.379 339 1HB ARG 41 1HB ARG 41 -6.829 5.295 4.773 340 2HB ARG 41 2HB ARG 41 -6.211 5.692 3.170 341 1HG ARG 41 1HG ARG 41 -7.535 7.544 3.449 342 2HG ARG 41 2HG ARG 41 -8.783 6.450 2.850 343 1HD ARG 41 1HD ARG 41 -9.586 5.993 5.056 344 2HD ARG 41 2HD ARG 41 -8.153 6.726 5.804 345 HE ARG 41 HE ARG 41 -10.258 8.255 4.330 346 1HH1 ARG 41 1HH1 ARG 41 -8.955 8.034 7.322 347 2HH1 ARG 41 2HH1 ARG 41 -8.411 9.675 7.445 348 1HH2 ARG 41 1HH2 ARG 41 -8.952 10.383 4.094 349 2HH2 ARG 41 2HH2 ARG 41 -8.410 11.005 5.617 350 H VAL 42 H VAL 42 -5.644 3.426 1.878 351 HA VAL 42 HA VAL 42 -6.142 4.559 -0.707 352 HB VAL 42 HB VAL 42 -4.576 2.076 0.102 353 1HG1 VAL 42 1HG1 VAL 42 -4.755 1.902 -2.241 354 2HG1 VAL 42 2HG1 VAL 42 -3.252 2.799 -2.027 355 3HG1 VAL 42 3HG1 VAL 42 -4.732 3.651 -2.464 356 1HG2 VAL 42 1HG2 VAL 42 -4.044 5.016 0.111 357 2HG2 VAL 42 2HG2 VAL 42 -2.713 3.947 -0.329 358 3HG2 VAL 42 3HG2 VAL 42 -3.500 3.774 1.240 359 H GLY 43 H GLY 43 -7.100 1.370 0.650 360 1HA GLY 43 1HA GLY 43 -8.156 0.308 -1.800 361 2HA GLY 43 2HA GLY 43 -8.593 -0.236 -0.179 362 H GLN 44 H GLN 44 -9.724 2.058 0.937 363 HA GLN 44 HA GLN 44 -12.388 2.059 -0.126 364 1HB GLN 44 1HB GLN 44 -11.469 2.819 2.184 365 2HB GLN 44 2HB GLN 44 -11.176 4.373 1.403 366 1HG GLN 44 1HG GLN 44 -13.631 4.255 0.635 367 2HG GLN 44 2HG GLN 44 -13.813 2.961 1.822 368 1HE2 GLN 44 1HE2 GLN 44 -12.325 3.843 4.010 369 2HE2 GLN 44 2HE2 GLN 44 -12.919 5.335 4.558 370 H ILE 45 H ILE 45 -9.638 4.287 -0.731 371 HA ILE 45 HA ILE 45 -11.045 6.267 -2.260 372 HB ILE 45 HB ILE 45 -8.192 5.199 -2.423 373 1HG1 ILE 45 1HG1 ILE 45 -9.016 7.839 -1.260 374 2HG1 ILE 45 2HG1 ILE 45 -9.265 6.374 -0.312 375 1HG2 ILE 45 1HG2 ILE 45 -7.571 7.108 -3.701 376 2HG2 ILE 45 2HG2 ILE 45 -9.127 7.891 -3.433 377 3HG2 ILE 45 3HG2 ILE 45 -9.016 6.489 -4.495 378 1HD1 ILE 45 1HD1 ILE 45 -6.609 6.501 -1.564 379 2HD1 ILE 45 2HD1 ILE 45 -7.051 6.137 0.105 380 3HD1 ILE 45 3HD1 ILE 45 -6.909 7.814 -0.425 381 H LEU 46 H LEU 46 -9.608 3.135 -3.291 382 HA LEU 46 HA LEU 46 -10.475 3.577 -6.077 383 1HB LEU 46 1HB LEU 46 -8.436 2.285 -5.555 384 2HB LEU 46 2HB LEU 46 -9.399 1.117 -4.650 385 HG LEU 46 HG LEU 46 -10.636 0.524 -6.693 386 1HD1 LEU 46 1HD1 LEU 46 -10.541 2.696 -7.840 387 2HD1 LEU 46 2HD1 LEU 46 -9.883 1.433 -8.882 388 3HD1 LEU 46 3HD1 LEU 46 -8.795 2.531 -8.036 389 1HD2 LEU 46 1HD2 LEU 46 -7.647 0.509 -7.195 390 2HD2 LEU 46 2HD2 LEU 46 -8.831 -0.621 -7.850 391 3HD2 LEU 46 3HD2 LEU 46 -8.478 -0.617 -6.122 392 H LYS 47 H LYS 47 -11.748 1.943 -3.173 393 HA LYS 47 HA LYS 47 -13.832 0.486 -4.617 394 1HB LYS 47 1HB LYS 47 -12.940 -0.173 -2.372 395 2HB LYS 47 2HB LYS 47 -13.637 1.297 -1.690 396 1HG LYS 47 1HG LYS 47 -15.822 0.313 -2.938 397 2HG LYS 47 2HG LYS 47 -14.984 -1.198 -2.585 398 1HD LYS 47 1HD LYS 47 -14.947 -0.745 -0.241 399 2HD LYS 47 2HD LYS 47 -15.422 0.935 -0.487 400 1HE LYS 47 1HE LYS 47 -17.263 -1.195 -1.514 401 2HE LYS 47 2HE LYS 47 -17.233 -0.880 0.232 402 1HZ LYS 47 1HZ LYS 47 -17.549 1.178 -1.890 403 2HZ LYS 47 2HZ LYS 47 -17.507 1.478 -0.218 404 3HZ LYS 47 3HZ LYS 47 -18.794 0.598 -0.894 405 H GLU 48 H GLU 48 -13.497 3.745 -3.185 406 HA GLU 48 HA GLU 48 -16.200 4.500 -2.929 407 1HB GLU 48 1HB GLU 48 -13.629 5.866 -3.581 408 2HB GLU 48 2HB GLU 48 -15.107 6.787 -3.862 409 1HG GLU 48 1HG GLU 48 -15.701 5.827 -1.431 410 2HG GLU 48 2HG GLU 48 -13.942 5.812 -1.296 411 HA PRO 49 HA PRO 49 -17.620 4.139 -7.138 412 1HB PRO 49 1HB PRO 49 -19.965 5.533 -6.929 413 2HB PRO 49 2HB PRO 49 -19.759 3.884 -6.304 414 1HG PRO 49 1HG PRO 49 -19.690 6.481 -4.851 415 2HG PRO 49 2HG PRO 49 -20.395 4.933 -4.362 416 1HD PRO 49 1HD PRO 49 -18.004 5.846 -3.436 417 2HD PRO 49 2HD PRO 49 -18.398 4.118 -3.589 418 H LYS 50 H LYS 50 -17.561 7.360 -5.550 419 HA LYS 50 HA LYS 50 -17.635 8.801 -8.121 420 1HB LYS 50 1HB LYS 50 -17.088 9.572 -5.237 421 2HB LYS 50 2HB LYS 50 -16.999 10.742 -6.554 422 1HG LYS 50 1HG LYS 50 -19.295 10.536 -7.056 423 2HG LYS 50 2HG LYS 50 -19.437 9.008 -6.186 424 1HD LYS 50 1HD LYS 50 -19.363 10.060 -4.078 425 2HD LYS 50 2HD LYS 50 -18.671 11.541 -4.742 426 1HE LYS 50 1HE LYS 50 -20.904 12.186 -4.458 427 2HE LYS 50 2HE LYS 50 -20.950 11.580 -6.126 428 1HZ LYS 50 1HZ LYS 50 -22.681 10.518 -4.850 429 2HZ LYS 50 2HZ LYS 50 -21.566 10.029 -3.665 430 3HZ LYS 50 3HZ LYS 50 -21.492 9.371 -5.230 431 H MET 51 H MET 51 -15.141 7.663 -5.834 432 HA MET 51 HA MET 51 -12.971 8.990 -7.340 433 1HB MET 51 1HB MET 51 -12.964 8.777 -4.870 434 2HB MET 51 2HB MET 51 -12.942 7.021 -5.035 435 1HG MET 51 1HG MET 51 -10.683 7.775 -4.673 436 2HG MET 51 2HG MET 51 -10.820 7.232 -6.342 437 1HE MET 51 1HE MET 51 -8.869 8.050 -6.753 438 2HE MET 51 2HE MET 51 -8.235 9.687 -6.600 439 3HE MET 51 3HE MET 51 -9.122 9.226 -8.051 440 H ALA 52 H ALA 52 -14.450 5.742 -7.140 441 HA ALA 52 HA ALA 52 -12.341 4.194 -8.285 442 1HB ALA 52 1HB ALA 52 -14.139 2.910 -7.548 443 2HB ALA 52 2HB ALA 52 -14.490 2.940 -9.275 444 3HB ALA 52 3HB ALA 52 -15.337 4.039 -8.185 445 H ALA 53 H ALA 53 -14.852 6.193 -9.900 446 HA ALA 53 HA ALA 53 -14.267 5.430 -12.602 447 1HB ALA 53 1HB ALA 53 -15.190 8.088 -11.447 448 2HB ALA 53 2HB ALA 53 -16.229 6.763 -11.974 449 3HB ALA 53 3HB ALA 53 -15.275 7.659 -13.156 450 H SER 54 H SER 54 -12.749 7.936 -10.518 451 HA SER 54 HA SER 54 -11.016 8.985 -12.606 452 1HB SER 54 1HB SER 54 -11.708 9.903 -10.220 453 2HB SER 54 2HB SER 54 -10.282 9.016 -9.686 454 HG SER 54 HG SER 54 -9.562 11.011 -10.246 455 H LEU 55 H LEU 55 -10.395 6.648 -9.917 456 HA LEU 55 HA LEU 55 -7.663 6.103 -10.648 457 1HB LEU 55 1HB LEU 55 -9.797 4.619 -9.111 458 2HB LEU 55 2HB LEU 55 -8.206 3.896 -9.368 459 HG LEU 55 HG LEU 55 -8.520 6.691 -8.267 460 1HD1 LEU 55 1HD1 LEU 55 -8.104 5.587 -6.020 461 2HD1 LEU 55 2HD1 LEU 55 -8.484 4.048 -6.791 462 3HD1 LEU 55 3HD1 LEU 55 -9.709 5.313 -6.699 463 1HD2 LEU 55 1HD2 LEU 55 -6.333 4.705 -8.671 464 2HD2 LEU 55 2HD2 LEU 55 -6.255 5.698 -7.216 465 3HD2 LEU 55 3HD2 LEU 55 -6.293 6.463 -8.804 466 H LEU 56 H LEU 56 -10.716 4.790 -11.957 467 HA LEU 56 HA LEU 56 -9.203 2.735 -13.499 468 1HB LEU 56 1HB LEU 56 -11.299 2.143 -12.324 469 2HB LEU 56 2HB LEU 56 -12.170 3.344 -13.276 470 HG LEU 56 HG LEU 56 -10.569 1.278 -14.734 471 1HD1 LEU 56 1HD1 LEU 56 -12.235 -0.398 -14.536 472 2HD1 LEU 56 2HD1 LEU 56 -13.391 0.720 -13.811 473 3HD1 LEU 56 3HD1 LEU 56 -11.993 0.173 -12.884 474 1HD2 LEU 56 1HD2 LEU 56 -12.856 3.123 -15.198 475 2HD2 LEU 56 2HD2 LEU 56 -12.947 1.562 -16.014 476 3HD2 LEU 56 3HD2 LEU 56 -11.570 2.626 -16.298 477 H ASN 57 H ASN 57 -10.979 5.796 -14.049 478 HA ASN 57 HA ASN 57 -11.428 5.708 -16.822 479 1HB ASN 57 1HB ASN 57 -10.886 7.806 -14.803 480 2HB ASN 57 2HB ASN 57 -10.577 8.289 -16.470 481 1HD2 ASN 57 1HD2 ASN 57 -13.129 6.091 -15.104 482 2HD2 ASN 57 2HD2 ASN 57 -14.421 6.973 -15.761 483 HA PRO 58 HA PRO 58 -7.425 5.577 -18.669 484 1HB PRO 58 1HB PRO 58 -7.993 6.588 -21.138 485 2HB PRO 58 2HB PRO 58 -8.479 4.962 -20.622 486 1HG PRO 58 1HG PRO 58 -10.094 7.432 -20.861 487 2HG PRO 58 2HG PRO 58 -10.560 5.744 -21.110 488 1HD PRO 58 1HD PRO 58 -11.131 7.253 -18.854 489 2HD PRO 58 2HD PRO 58 -11.168 5.481 -18.945 490 H TYR 59 H TYR 59 -8.908 8.566 -17.857 491 HA TYR 59 HA TYR 59 -6.854 10.264 -19.143 492 1HB TYR 59 1HB TYR 59 -9.162 10.864 -17.253 493 2HB TYR 59 2HB TYR 59 -8.190 12.082 -18.085 494 HD1 TYR 59 HD1 TYR 59 -10.750 9.458 -18.478 495 HD2 TYR 59 HD2 TYR 59 -8.362 12.401 -20.507 496 HE1 TYR 59 HE1 TYR 59 -12.174 9.228 -20.489 497 HE2 TYR 59 HE2 TYR 59 -9.795 12.172 -22.518 498 HH TYR 59 HH TYR 59 -12.725 10.959 -22.559 499 H VAL 60 H VAL 60 -7.694 9.014 -15.885 500 HA VAL 60 HA VAL 60 -6.023 10.614 -14.262 501 HB VAL 60 HB VAL 60 -7.566 8.873 -13.442 502 1HG1 VAL 60 1HG1 VAL 60 -7.308 6.611 -13.833 503 2HG1 VAL 60 2HG1 VAL 60 -5.556 6.732 -13.995 504 3HG1 VAL 60 3HG1 VAL 60 -6.602 7.242 -15.319 505 1HG2 VAL 60 1HG2 VAL 60 -5.893 9.591 -11.865 506 2HG2 VAL 60 2HG2 VAL 60 -4.669 8.569 -12.617 507 3HG2 VAL 60 3HG2 VAL 60 -6.006 7.835 -11.733 508 H LYS 61 H LYS 61 -4.998 8.041 -16.526 509 HA LYS 61 HA LYS 61 -2.849 7.364 -17.192 510 1HB LYS 61 1HB LYS 61 -2.839 10.221 -16.616 511 2HB LYS 61 2HB LYS 61 -1.244 9.517 -16.356 512 1HG LYS 61 1HG LYS 61 -1.047 9.863 -18.610 513 2HG LYS 61 2HG LYS 61 -1.890 8.317 -18.693 514 1HD LYS 61 1HD LYS 61 -3.882 9.279 -19.331 515 2HD LYS 61 2HD LYS 61 -3.568 10.769 -18.441 516 1HE LYS 61 1HE LYS 61 -3.257 11.533 -20.620 517 2HE LYS 61 2HE LYS 61 -1.605 10.991 -20.259 518 1HZ LYS 61 1HZ LYS 61 -2.288 9.961 -22.290 519 2HZ LYS 61 2HZ LYS 61 -3.748 9.429 -21.602 520 3HZ LYS 61 3HZ LYS 61 -2.270 8.765 -21.089 521 H ARG 62 H ARG 62 -0.448 7.126 -16.249 522 HA ARG 62 HA ARG 62 -0.766 6.197 -13.419 523 1HB ARG 62 1HB ARG 62 -0.058 4.592 -15.190 524 2HB ARG 62 2HB ARG 62 1.352 5.601 -15.516 525 1HG ARG 62 1HG ARG 62 1.879 5.339 -12.997 526 2HG ARG 62 2HG ARG 62 0.725 4.006 -13.034 527 1HD ARG 62 1HD ARG 62 2.615 2.801 -13.589 528 2HD ARG 62 2HD ARG 62 2.228 3.388 -15.219 529 HE ARG 62 HE ARG 62 4.095 4.842 -13.377 530 1HH1 ARG 62 1HH2 ARG 62 5.465 3.105 -15.298 531 2HH1 ARG 62 2HH2 ARG 62 5.699 4.133 -16.673 532 1HH2 ARG 62 1HH1 ARG 62 3.345 6.469 -15.659 533 2HH2 ARG 62 2HH1 ARG 62 4.498 6.038 -16.877 534 H SER 63 H SER 63 1.626 7.938 -15.506 535 HA SER 63 HA SER 63 3.405 8.748 -13.419 536 1HB SER 63 1HB SER 63 4.042 10.557 -15.010 537 2HB SER 63 2HB SER 63 3.873 9.008 -15.831 538 HG SER 63 HG SER 63 2.789 10.995 -16.731 539 H VAL 64 H VAL 64 0.392 10.301 -14.606 540 HA VAL 64 HA VAL 64 0.565 12.660 -12.940 541 HB VAL 64 HB VAL 64 -1.864 11.167 -14.022 542 1HG1 VAL 64 1HG1 VAL 64 -1.849 14.121 -13.619 543 2HG1 VAL 64 2HG1 VAL 64 -1.966 13.127 -12.167 544 3HG1 VAL 64 3HG1 VAL 64 -3.172 12.969 -13.441 545 1HG2 VAL 64 1HG2 VAL 64 0.115 13.074 -15.199 546 2HG2 VAL 64 2HG2 VAL 64 -1.573 13.251 -15.678 547 3HG2 VAL 64 3HG2 VAL 64 -0.732 11.726 -15.957 548 H LYS 65 H LYS 65 -0.874 9.412 -12.389 549 HA LYS 65 HA LYS 65 -2.112 9.943 -9.863 550 1HB LYS 65 1HB LYS 65 -1.011 7.546 -11.283 551 2HB LYS 65 2HB LYS 65 -1.404 7.371 -9.574 552 1HG LYS 65 1HG LYS 65 -3.511 8.791 -11.012 553 2HG LYS 65 2HG LYS 65 -3.201 7.206 -11.718 554 1HD LYS 65 1HD LYS 65 -4.766 6.701 -10.055 555 2HD LYS 65 2HD LYS 65 -3.238 6.379 -9.233 556 1HE LYS 65 1HE LYS 65 -4.172 9.187 -9.048 557 2HE LYS 65 2HE LYS 65 -5.171 7.996 -8.192 558 1HZ LYS 65 1HZ LYS 65 -2.239 8.393 -7.949 559 2HZ LYS 65 2HZ LYS 65 -3.056 7.047 -7.312 560 3HZ LYS 65 3HZ LYS 65 -3.407 8.607 -6.738 561 H VAL 66 H VAL 66 1.302 9.139 -10.638 562 HA VAL 66 HA VAL 66 2.213 8.687 -7.956 563 HB VAL 66 HB VAL 66 3.653 9.938 -10.331 564 1HG1 VAL 66 1HG1 VAL 66 4.824 10.305 -8.168 565 2HG1 VAL 66 2HG1 VAL 66 5.716 9.205 -9.220 566 3HG1 VAL 66 3HG1 VAL 66 4.780 8.567 -7.867 567 1HG2 VAL 66 1HG2 VAL 66 2.539 7.433 -10.173 568 2HG2 VAL 66 2HG2 VAL 66 4.162 7.126 -9.559 569 3HG2 VAL 66 3HG2 VAL 66 3.944 7.832 -11.160 570 H LYS 67 H LYS 67 1.891 11.754 -9.813 571 HA LYS 67 HA LYS 67 2.983 13.427 -7.692 572 1HB LYS 67 1HB LYS 67 1.177 13.953 -10.077 573 2HB LYS 67 2HB LYS 67 1.744 15.243 -9.015 574 1HG LYS 67 1HG LYS 67 3.776 13.340 -10.101 575 2HG LYS 67 2HG LYS 67 3.108 14.549 -11.201 576 1HD LYS 67 1HD LYS 67 3.625 16.268 -9.362 577 2HD LYS 67 2HD LYS 67 4.606 15.005 -8.618 578 1HE LYS 67 1HE LYS 67 4.997 15.643 -11.535 579 2HE LYS 67 2HE LYS 67 5.759 16.662 -10.297 580 1HZ LYS 67 1HZ LYS 67 6.726 14.726 -9.289 581 2HZ LYS 67 2HZ LYS 67 7.147 14.738 -10.934 582 3HZ LYS 67 3HZ LYS 67 5.929 13.696 -10.374 583 H SER 68 H SER 68 -0.355 12.445 -8.597 584 HA SER 68 HA SER 68 -1.719 14.018 -6.605 585 1HB SER 68 1HB SER 68 -3.598 12.787 -7.254 586 2HB SER 68 2HB SER 68 -2.550 12.529 -8.645 587 HG SER 68 HG SER 68 -3.576 10.628 -7.533 588 H LEU 69 H LEU 69 -0.235 10.745 -6.449 589 HA LEU 69 HA LEU 69 -1.215 10.040 -3.836 590 1HB LEU 69 1HB LEU 69 1.348 9.319 -5.305 591 2HB LEU 69 2HB LEU 69 0.807 8.520 -3.829 592 HG LEU 69 HG LEU 69 -1.027 8.737 -6.207 593 1HD1 LEU 69 1HD1 LEU 69 0.503 6.219 -5.833 594 2HD1 LEU 69 2HD1 LEU 69 1.407 7.576 -6.506 595 3HD1 LEU 69 3HD1 LEU 69 -0.046 6.995 -7.318 596 1HD2 LEU 69 1HD2 LEU 69 -2.287 7.158 -5.090 597 2HD2 LEU 69 2HD2 LEU 69 -1.517 7.922 -3.701 598 3HD2 LEU 69 3HD2 LEU 69 -0.876 6.409 -4.342 599 H SER 70 H SER 70 1.830 11.717 -4.815 600 HA SER 70 HA SER 70 2.750 12.092 -2.078 601 1HB SER 70 1HB SER 70 4.443 12.311 -3.688 602 2HB SER 70 2HB SER 70 3.414 13.224 -4.788 603 HG SER 70 HG SER 70 4.692 14.073 -2.411 604 H ASP 71 H ASP 71 0.978 14.221 -4.383 605 HA ASP 71 HA ASP 71 0.747 16.428 -2.496 606 1HB ASP 71 1HB ASP 71 -0.549 15.637 -5.097 607 2HB ASP 71 2HB ASP 71 -1.211 16.989 -4.177 608 H MET 72 H MET 72 -1.051 13.410 -2.862 609 HA MET 72 HA MET 72 -3.353 14.443 -1.285 610 1HB MET 72 1HB MET 72 -3.505 12.747 -3.208 611 2HB MET 72 2HB MET 72 -2.719 11.592 -2.133 612 1HG MET 72 1HG MET 72 -4.602 12.276 -0.447 613 2HG MET 72 2HG MET 72 -5.440 12.848 -1.890 614 1HE MET 72 1HE MET 72 -4.162 10.449 0.263 615 2HE MET 72 2HE MET 72 -3.630 9.082 -0.713 616 3HE MET 72 3HE MET 72 -5.226 9.054 0.032 617 H THR 73 H THR 73 -0.620 12.137 -1.005 618 HA THR 73 HA THR 73 -1.058 11.322 1.708 619 HB THR 73 HB THR 73 1.278 11.513 -0.198 620 HG1 THR 73 HG1 THR 73 0.001 9.767 -0.463 621 1HG2 THR 73 1HG2 THR 73 2.647 11.802 1.597 622 2HG2 THR 73 2HG2 THR 73 2.411 10.061 1.752 623 3HG2 THR 73 3HG2 THR 73 1.465 11.173 2.743 624 H ALA 74 H ALA 74 0.602 14.213 0.331 625 HA ALA 74 HA ALA 74 1.674 15.199 2.829 626 1HB ALA 74 1HB ALA 74 2.562 16.256 0.947 627 2HB ALA 74 2HB ALA 74 1.377 17.460 1.451 628 3HB ALA 74 3HB ALA 74 0.998 16.348 0.137 629 H LYS 75 H LYS 75 -1.515 15.657 1.243 630 HA LYS 75 HA LYS 75 -2.417 17.482 3.398 631 1HB LYS 75 1HB LYS 75 -3.521 16.385 0.826 632 2HB LYS 75 2HB LYS 75 -4.635 17.083 2.002 633 1HG LYS 75 1HG LYS 75 -3.308 19.166 2.026 634 2HG LYS 75 2HG LYS 75 -2.201 18.472 0.841 635 1HD LYS 75 1HD LYS 75 -4.404 18.073 -0.549 636 2HD LYS 75 2HD LYS 75 -5.048 19.353 0.482 637 1HE LYS 75 1HE LYS 75 -2.865 20.646 -0.167 638 2HE LYS 75 2HE LYS 75 -2.802 19.502 -1.523 639 1HZ LYS 75 1HZ LYS 75 -5.070 20.064 -2.084 640 2HZ LYS 75 2HZ LYS 75 -4.128 21.477 -2.061 641 3HZ LYS 75 3HZ LYS 75 -5.174 21.129 -0.769 642 H GLU 76 H GLU 76 -2.820 14.041 2.493 643 HA GLU 76 HA GLU 76 -4.989 13.554 4.388 644 1HB GLU 76 1HB GLU 76 -4.205 12.238 2.258 645 2HB GLU 76 2HB GLU 76 -3.107 11.433 3.381 646 1HG GLU 76 1HG GLU 76 -5.977 11.692 4.178 647 2HG GLU 76 2HG GLU 76 -5.567 10.498 2.946 648 H LYS 77 H LYS 77 -1.600 14.060 4.939 649 HA LYS 77 HA LYS 77 -0.265 13.719 6.837 650 1HB LYS 77 1HB LYS 77 -3.094 13.873 7.750 651 2HB LYS 77 2HB LYS 77 -1.949 13.208 8.913 652 1HG LYS 77 1HG LYS 77 -0.495 15.300 8.128 653 2HG LYS 77 2HG LYS 77 -2.088 15.955 7.745 654 1HD LYS 77 1HD LYS 77 -1.790 16.617 9.977 655 2HD LYS 77 2HD LYS 77 -2.732 15.135 10.138 656 1HE LYS 77 1HE LYS 77 -0.209 14.101 10.125 657 2HE LYS 77 2HE LYS 77 0.078 15.664 10.916 658 1HZ LYS 77 1HZ LYS 77 -1.769 15.230 12.400 659 2HZ LYS 77 2HZ LYS 77 -0.630 13.974 12.517 660 3HZ LYS 77 3HZ LYS 77 -2.069 13.742 11.644 661 H PHE 78 H PHE 78 -0.481 11.462 5.171 662 HA PHE 78 HA PHE 78 -1.395 9.049 6.384 663 1HB PHE 78 1HB PHE 78 0.500 9.821 4.252 664 2HB PHE 78 2HB PHE 78 0.877 8.276 5.009 665 HD1 PHE 78 HD1 PHE 78 -0.641 9.445 2.235 666 HD2 PHE 78 HD2 PHE 78 -1.646 7.094 5.686 667 HE1 PHE 78 HE1 PHE 78 -2.480 8.367 0.967 668 HE2 PHE 78 HE2 PHE 78 -3.484 6.022 4.420 669 HZ PHE 78 HZ PHE 78 -3.903 6.650 2.063 670 H SER 79 H SER 79 0.582 7.256 6.886 671 HA SER 79 HA SER 79 1.866 8.376 9.322 672 1HB SER 79 1HB SER 79 2.050 5.493 8.937 673 2HB SER 79 2HB SER 79 1.263 6.383 10.232 674 HG SER 79 HG SER 79 -0.064 5.017 8.748 675 HA PRO 80 HA PRO 80 5.871 7.665 7.674 676 1HB PRO 80 1HB PRO 80 7.222 5.970 9.316 677 2HB PRO 80 2HB PRO 80 6.823 7.642 9.747 678 1HG PRO 80 1HG PRO 80 5.564 5.115 10.625 679 2HG PRO 80 2HG PRO 80 5.786 6.635 11.502 680 1HD PRO 80 1HD PRO 80 3.433 5.791 10.330 681 2HD PRO 80 2HD PRO 80 3.807 7.468 10.778 682 H LEU 81 H LEU 81 3.793 4.906 7.695 683 HA LEU 81 HA LEU 81 5.722 3.451 5.938 684 1HB LEU 81 1HB LEU 81 3.914 2.679 8.166 685 2HB LEU 81 2HB LEU 81 3.929 1.584 6.775 686 HG LEU 81 HG LEU 81 6.611 2.506 7.619 687 1HD1 LEU 81 1HD1 LEU 81 5.053 0.602 9.384 688 2HD1 LEU 81 2HD1 LEU 81 5.447 2.265 9.814 689 3HD1 LEU 81 3HD1 LEU 81 6.737 1.083 9.586 690 1HD2 LEU 81 1HD2 LEU 81 6.656 0.801 6.029 691 2HD2 LEU 81 2HD2 LEU 81 5.255 -0.019 6.721 692 3HD2 LEU 81 3HD2 LEU 81 6.823 -0.125 7.521 693 H THR 82 H THR 82 3.249 5.523 5.509 694 HA THR 82 HA THR 82 1.875 3.763 3.534 695 HB THR 82 HB THR 82 0.723 6.259 4.815 696 HG1 THR 82 HG1 THR 82 1.076 4.997 6.542 697 1HG2 THR 82 1HG2 THR 82 -0.767 5.682 3.177 698 2HG2 THR 82 2HG2 THR 82 -1.273 4.456 4.336 699 3HG2 THR 82 3HG2 THR 82 -0.154 4.037 3.047 700 H SER 83 H SER 83 4.179 6.231 3.530 701 HA SER 83 HA SER 83 3.033 7.403 1.024 702 1HB SER 83 1HB SER 83 4.292 9.363 1.548 703 2HB SER 83 2HB SER 83 3.697 8.821 3.114 704 HG SER 83 HG SER 83 5.928 9.267 3.184 705 H ASN 84 H ASN 84 4.242 4.801 1.114 706 HA ASN 84 HA ASN 84 6.501 5.212 -0.795 707 1HB ASN 84 1HB ASN 84 7.518 4.804 1.417 708 2HB ASN 84 2HB ASN 84 6.478 3.405 1.663 709 1HD2 ASN 84 1HD2 ASN 84 8.888 4.605 -0.787 710 2HD2 ASN 84 2HD2 ASN 84 9.546 3.068 -1.078 711 H LEU 85 H LEU 85 4.636 2.623 0.905 712 HA LEU 85 HA LEU 85 4.346 0.917 -1.398 713 1HB LEU 85 1HB LEU 85 3.926 0.079 0.852 714 2HB LEU 85 2HB LEU 85 2.712 1.320 1.145 715 HG LEU 85 HG LEU 85 1.255 0.322 -0.571 716 1HD1 LEU 85 1HD1 LEU 85 1.887 -1.870 -1.570 717 2HD1 LEU 85 2HD1 LEU 85 3.476 -1.736 -0.817 718 3HD1 LEU 85 3HD1 LEU 85 2.988 -0.583 -2.059 719 1HD2 LEU 85 1HD2 LEU 85 0.640 -1.667 0.654 720 2HD2 LEU 85 2HD2 LEU 85 1.238 -0.491 1.824 721 3HD2 LEU 85 3HD2 LEU 85 2.268 -1.828 1.312 722 H ILE 86 H ILE 86 2.668 3.917 -0.353 723 HA ILE 86 HA ILE 86 0.309 3.618 -1.952 724 HB ILE 86 HB ILE 86 0.682 5.361 -0.185 725 1HG1 ILE 86 1HG1 ILE 86 0.116 6.985 -2.604 726 2HG1 ILE 86 2HG1 ILE 86 -0.852 5.522 -2.424 727 1HG2 ILE 86 1HG2 ILE 86 2.987 6.002 -0.771 728 2HG2 ILE 86 2HG2 ILE 86 1.929 7.412 -0.800 729 3HG2 ILE 86 3HG2 ILE 86 2.424 6.650 -2.311 730 1HD1 ILE 86 1HD1 ILE 86 -1.886 6.272 -0.510 731 2HD1 ILE 86 2HD1 ILE 86 -1.570 7.828 -1.279 732 3HD1 ILE 86 3HD1 ILE 86 -0.494 7.236 -0.011 733 H ASN 87 H ASN 87 3.587 4.821 -2.778 734 HA ASN 87 HA ASN 87 2.842 5.581 -5.510 735 1HB ASN 87 1HB ASN 87 4.863 6.374 -4.118 736 2HB ASN 87 2HB ASN 87 5.597 4.813 -4.488 737 1HD2 ASN 87 1HD2 ASN 87 6.600 7.449 -5.449 738 2HD2 ASN 87 2HD2 ASN 87 6.505 7.397 -7.143 739 H LEU 88 H LEU 88 4.361 2.710 -3.978 740 HA LEU 88 HA LEU 88 4.850 1.161 -6.326 741 1HB LEU 88 1HB LEU 88 5.043 0.785 -3.566 742 2HB LEU 88 2HB LEU 88 3.812 -0.383 -4.037 743 HG LEU 88 HG LEU 88 5.586 -0.836 -6.003 744 1HD1 LEU 88 1HD1 LEU 88 7.817 -0.865 -4.463 745 2HD1 LEU 88 2HD1 LEU 88 7.040 0.591 -3.838 746 3HD1 LEU 88 3HD1 LEU 88 7.421 0.460 -5.555 747 1HD2 LEU 88 1HD2 LEU 88 5.866 -2.853 -4.953 748 2HD2 LEU 88 2HD2 LEU 88 4.645 -2.216 -3.851 749 3HD2 LEU 88 3HD2 LEU 88 6.355 -2.107 -3.431 750 H LEU 89 H LEU 89 1.847 1.520 -4.374 751 HA LEU 89 HA LEU 89 0.267 -0.426 -5.781 752 1HB LEU 89 1HB LEU 89 -0.367 2.130 -4.287 753 2HB LEU 89 2HB LEU 89 -1.647 1.148 -5.003 754 HG LEU 89 HG LEU 89 0.429 0.111 -3.049 755 1HD1 LEU 89 1HD1 LEU 89 -1.069 0.440 -1.323 756 2HD1 LEU 89 2HD1 LEU 89 -2.476 0.321 -2.382 757 3HD1 LEU 89 3HD1 LEU 89 -1.524 1.806 -2.344 758 1HD2 LEU 89 1HD2 LEU 89 -1.626 -1.656 -3.008 759 2HD2 LEU 89 2HD2 LEU 89 -0.243 -1.818 -4.092 760 3HD2 LEU 89 3HD2 LEU 89 -1.742 -1.102 -4.679 761 H ALA 90 H ALA 90 0.936 3.032 -6.491 762 HA ALA 90 HA ALA 90 -0.563 2.720 -9.067 763 1HB ALA 90 1HB ALA 90 0.499 5.365 -8.328 764 2HB ALA 90 2HB ALA 90 -0.577 4.679 -7.110 765 3HB ALA 90 3HB ALA 90 -1.146 4.901 -8.766 766 H GLU 91 H GLU 91 2.283 1.660 -8.487 767 HA GLU 91 HA GLU 91 3.870 3.430 -10.308 768 1HB GLU 91 1HB GLU 91 4.825 2.747 -8.122 769 2HB GLU 91 2HB GLU 91 4.660 1.054 -8.584 770 1HG GLU 91 1HG GLU 91 6.191 1.403 -10.475 771 2HG GLU 91 2HG GLU 91 6.331 3.112 -10.059 772 H ASN 92 H ASN 92 2.881 -0.035 -9.963 773 HA ASN 92 HA ASN 92 3.645 -0.406 -12.840 774 1HB ASN 92 1HB ASN 92 4.375 -1.769 -10.535 775 2HB ASN 92 2HB ASN 92 3.107 -2.791 -11.209 776 1HD2 ASN 92 1HD2 ASN 92 6.339 -2.757 -11.205 777 2HD2 ASN 92 2HD2 ASN 92 6.672 -3.206 -12.808 778 H GLY 93 H GLY 93 0.941 0.650 -11.717 779 1HA GLY 93 1HA GLY 93 -1.250 0.416 -12.548 780 2HA GLY 93 2HA GLY 93 -0.736 -1.039 -13.407 781 H ARG 94 H ARG 94 -0.707 -0.160 -9.900 782 HA ARG 94 HA ARG 94 -2.082 -2.773 -9.417 783 1HB ARG 94 1HB ARG 94 0.299 -1.763 -8.467 784 2HB ARG 94 2HB ARG 94 -0.813 -1.371 -7.158 785 1HG ARG 94 1HG ARG 94 -0.966 -3.530 -6.512 786 2HG ARG 94 2HG ARG 94 -1.260 -4.077 -8.162 787 1HD ARG 94 1HD ARG 94 1.522 -3.207 -7.660 788 2HD ARG 94 2HD ARG 94 1.022 -4.651 -6.755 789 HE ARG 94 HE ARG 94 1.244 -4.451 -9.673 790 1HH1 ARG 94 1HH2 ARG 94 1.751 -6.773 -7.625 791 2HH1 ARG 94 2HH2 ARG 94 0.564 -7.907 -8.177 792 1HH2 ARG 94 1HH1 ARG 94 -1.136 -5.588 -10.114 793 2HH2 ARG 94 2HH1 ARG 94 -1.071 -7.237 -9.587 794 H LEU 95 H LEU 95 -3.572 -0.273 -10.105 795 HA LEU 95 HA LEU 95 -4.889 0.311 -7.473 796 1HB LEU 95 1HB LEU 95 -4.633 1.762 -10.118 797 2HB LEU 95 2HB LEU 95 -5.890 2.211 -8.964 798 HG LEU 95 HG LEU 95 -2.949 2.040 -8.250 799 1HD1 LEU 95 1HD1 LEU 95 -4.573 4.210 -9.478 800 2HD1 LEU 95 2HD1 LEU 95 -2.843 3.892 -9.602 801 3HD1 LEU 95 3HD1 LEU 95 -3.493 4.679 -8.164 802 1HD2 LEU 95 1HD2 LEU 95 -3.803 3.520 -6.344 803 2HD2 LEU 95 2HD2 LEU 95 -4.324 1.834 -6.300 804 3HD2 LEU 95 3HD2 LEU 95 -5.431 3.085 -6.866 805 H THR 96 H THR 96 -5.403 -2.170 -8.560 806 HA THR 96 HA THR 96 -8.234 -1.924 -9.523 807 HB THR 96 HB THR 96 -7.602 -4.124 -10.763 808 HG1 THR 96 HG1 THR 96 -5.452 -4.446 -11.077 809 1HG2 THR 96 1HG2 THR 96 -6.823 -1.329 -11.447 810 2HG2 THR 96 2HG2 THR 96 -7.958 -2.411 -12.255 811 3HG2 THR 96 3HG2 THR 96 -6.223 -2.616 -12.493 812 H ASN 97 H ASN 97 -5.826 -4.330 -8.280 813 HA ASN 97 HA ASN 97 -7.943 -5.449 -6.493 814 1HB ASN 97 1HB ASN 97 -5.179 -6.388 -7.345 815 2HB ASN 97 2HB ASN 97 -6.221 -7.276 -6.231 816 1HD2 ASN 97 1HD2 ASN 97 -5.868 -6.265 -9.641 817 2HD2 ASN 97 2HD2 ASN 97 -7.072 -7.302 -10.238 818 H THR 98 H THR 98 -6.205 -2.800 -6.140 819 HA THR 98 HA THR 98 -4.279 -3.006 -4.145 820 HB THR 98 HB THR 98 -6.212 -0.841 -3.682 821 HG1 THR 98 HG1 THR 98 -6.141 -0.021 -5.726 822 1HG2 THR 98 1HG2 THR 98 -3.548 -1.161 -3.384 823 2HG2 THR 98 2HG2 THR 98 -4.305 0.420 -3.585 824 3HG2 THR 98 3HG2 THR 98 -3.583 -0.396 -4.972 825 HA PRO 99 HA PRO 99 -7.642 -2.987 -0.700 826 1HB PRO 99 1HB PRO 99 -10.116 -3.967 -1.380 827 2HB PRO 99 2HB PRO 99 -9.710 -2.238 -1.391 828 1HG PRO 99 1HG PRO 99 -9.806 -4.172 -3.659 829 2HG PRO 99 2HG PRO 99 -10.380 -2.497 -3.581 830 1HD PRO 99 1HD PRO 99 -8.070 -3.149 -4.766 831 2HD PRO 99 2HD PRO 99 -8.266 -1.615 -3.898 832 H ALA 100 H ALA 100 -7.900 -5.506 -3.254 833 HA ALA 100 HA ALA 100 -8.293 -7.748 -1.474 834 1HB ALA 100 1HB ALA 100 -7.309 -9.042 -3.428 835 2HB ALA 100 2HB ALA 100 -6.975 -7.493 -4.202 836 3HB ALA 100 3HB ALA 100 -8.639 -7.972 -3.870 837 H VAL 101 H VAL 101 -5.322 -6.122 -2.678 838 HA VAL 101 HA VAL 101 -3.449 -7.968 -1.458 839 HB VAL 101 HB VAL 101 -3.162 -5.003 -2.095 840 1HG1 VAL 101 1HG1 VAL 101 -1.201 -5.351 -0.974 841 2HG1 VAL 101 2HG1 VAL 101 -0.706 -6.110 -2.487 842 3HG1 VAL 101 3HG1 VAL 101 -1.292 -7.103 -1.153 843 1HG2 VAL 101 1HG2 VAL 101 -3.541 -5.782 -4.209 844 2HG2 VAL 101 2HG2 VAL 101 -3.225 -7.456 -3.755 845 3HG2 VAL 101 3HG2 VAL 101 -1.881 -6.365 -4.093 846 H ILE 102 H ILE 102 -5.022 -4.959 -0.277 847 HA ILE 102 HA ILE 102 -3.578 -4.720 2.189 848 HB ILE 102 HB ILE 102 -6.445 -3.992 1.465 849 1HG1 ILE 102 1HG1 ILE 102 -4.183 -2.049 1.753 850 2HG1 ILE 102 2HG1 ILE 102 -4.264 -3.023 0.288 851 1HG2 ILE 102 1HG2 ILE 102 -6.019 -2.260 3.358 852 2HG2 ILE 102 2HG2 ILE 102 -4.751 -3.368 3.884 853 3HG2 ILE 102 3HG2 ILE 102 -6.428 -3.911 3.826 854 1HD1 ILE 102 1HD1 ILE 102 -6.018 -1.845 -0.519 855 2HD1 ILE 102 2HD1 ILE 102 -5.636 -0.654 0.724 856 3HD1 ILE 102 3HD1 ILE 102 -6.862 -1.885 1.029 857 H SER 103 H SER 103 -6.413 -6.762 1.340 858 HA SER 103 HA SER 103 -7.152 -7.614 3.962 859 1HB SER 103 1HB SER 103 -7.224 -8.872 1.223 860 2HB SER 103 2HB SER 103 -7.721 -9.816 2.625 861 HG SER 103 HG SER 103 -9.539 -8.802 1.988 862 H ALA 104 H ALA 104 -4.575 -8.868 1.796 863 HA ALA 104 HA ALA 104 -3.740 -11.070 3.445 864 1HB ALA 104 1HB ALA 104 -2.056 -9.257 1.672 865 2HB ALA 104 2HB ALA 104 -2.992 -10.639 1.101 866 3HB ALA 104 3HB ALA 104 -1.624 -10.889 2.187 867 H PHE 105 H PHE 105 -2.961 -7.575 3.616 868 HA PHE 105 HA PHE 105 -0.791 -7.645 5.458 869 1HB PHE 105 1HB PHE 105 -1.869 -5.655 4.229 870 2HB PHE 105 2HB PHE 105 -3.065 -5.638 5.524 871 HD1 PHE 105 HD1 PHE 105 -2.024 -5.704 7.993 872 HD2 PHE 105 HD2 PHE 105 0.047 -4.364 4.481 873 HE1 PHE 105 HE1 PHE 105 -0.460 -4.423 9.403 874 HE2 PHE 105 HE2 PHE 105 1.617 -3.083 5.901 875 HZ PHE 105 HZ PHE 105 1.362 -3.122 8.362 876 H SER 106 H SER 106 -4.329 -7.739 6.098 877 HA SER 106 HA SER 106 -4.047 -7.721 8.993 878 1HB SER 106 1HB SER 106 -6.152 -7.135 7.863 879 2HB SER 106 2HB SER 106 -6.260 -8.754 7.177 880 HG SER 106 HG SER 106 -6.658 -9.573 9.164 881 H THR 107 H THR 107 -4.258 -10.365 6.572 882 HA THR 107 HA THR 107 -4.271 -12.474 8.598 883 HB THR 107 HB THR 107 -3.285 -12.858 5.774 884 HG1 THR 107 HG1 THR 107 -5.358 -12.690 5.027 885 1HG2 THR 107 1HG2 THR 107 -3.435 -14.924 6.792 886 2HG2 THR 107 2HG2 THR 107 -5.082 -14.783 6.181 887 3HG2 THR 107 3HG2 THR 107 -4.734 -14.416 7.870 888 H MET 108 H MET 108 -1.697 -10.823 6.706 889 HA MET 108 HA MET 108 0.410 -12.614 7.652 890 1HB MET 108 1HB MET 108 0.473 -9.787 6.539 891 2HB MET 108 2HB MET 108 1.894 -10.799 6.788 892 1HG MET 108 1HG MET 108 -0.461 -11.573 5.042 893 2HG MET 108 2HG MET 108 1.034 -10.868 4.431 894 1HE MET 108 1HE MET 108 0.605 -14.610 3.488 895 2HE MET 108 2HE MET 108 1.738 -13.422 2.851 896 3HE MET 108 3HE MET 108 0.075 -12.950 3.188 897 H MET 109 H MET 109 -1.007 -9.532 8.821 898 HA MET 109 HA MET 109 0.944 -8.899 10.820 899 1HB MET 109 1HB MET 109 -0.879 -7.380 10.185 900 2HB MET 109 2HB MET 109 -2.084 -8.525 10.768 901 1HG MET 109 1HG MET 109 -0.099 -7.889 12.824 902 2HG MET 109 2HG MET 109 -0.926 -6.446 12.244 903 1HE MET 109 1HE MET 109 -0.694 -8.966 14.603 904 2HE MET 109 2HE MET 109 -2.225 -8.969 15.476 905 3HE MET 109 3HE MET 109 -1.291 -7.480 15.354 906 H SER 110 H SER 110 -1.874 -11.168 10.950 907 HA SER 110 HA SER 110 -1.722 -11.790 13.743 908 1HB SER 110 1HB SER 110 -2.895 -13.831 13.148 909 2HB SER 110 2HB SER 110 -3.470 -12.552 12.082 910 HG SER 110 HG SER 110 -2.351 -13.409 10.435 911 H VAL 111 H VAL 111 0.361 -12.896 11.064 912 HA VAL 111 HA VAL 111 1.682 -14.940 12.710 913 HB VAL 111 HB VAL 111 2.506 -13.649 10.084 914 1HG1 VAL 111 1HG1 VAL 111 3.564 -16.075 9.935 915 2HG1 VAL 111 2HG1 VAL 111 3.514 -15.967 11.694 916 3HG1 VAL 111 3HG1 VAL 111 4.420 -14.775 10.763 917 1HG2 VAL 111 1HG2 VAL 111 0.593 -15.829 10.814 918 2HG2 VAL 111 2HG2 VAL 111 1.567 -16.044 9.359 919 3HG2 VAL 111 3HG2 VAL 111 0.500 -14.648 9.508 920 H HIS 112 H HIS 112 2.059 -11.455 12.429 921 HA HIS 112 HA HIS 112 4.880 -11.532 13.251 922 1HB HIS 112 1HB HIS 112 4.872 -9.385 12.477 923 2HB HIS 112 2HB HIS 112 3.317 -9.812 11.783 924 HD1 HIS 112 HD1 HIS 112 1.269 -9.436 13.794 925 HD2 HIS 112 HD2 HIS 112 4.675 -7.114 13.879 926 HE1 HIS 112 HE1 HIS 112 0.698 -7.419 15.192 927 H ARG 113 H ARG 113 1.714 -11.444 14.834 928 HA ARG 113 HA ARG 113 2.927 -10.421 17.352 929 1HB ARG 113 1HB ARG 113 0.604 -9.825 16.332 930 2HB ARG 113 2HB ARG 113 0.091 -11.387 16.971 931 1HG ARG 113 1HG ARG 113 0.277 -10.711 19.162 932 2HG ARG 113 2HG ARG 113 1.600 -9.598 18.816 933 1HD ARG 113 1HD ARG 113 0.182 -7.853 18.421 934 2HD ARG 113 2HD ARG 113 -0.968 -8.873 17.535 935 HE ARG 113 HE ARG 113 -0.769 -8.867 20.525 936 1HH1 ARG 113 1HH2 ARG 113 -2.261 -10.687 18.270 937 2HH1 ARG 113 2HH2 ARG 113 -3.889 -10.276 18.692 938 1HH2 ARG 113 1HH1 ARG 113 -2.971 -7.660 20.774 939 2HH2 ARG 113 2HH1 ARG 113 -4.291 -8.563 20.109 940 H GLY 114 H GLY 114 1.701 -13.493 15.956 941 1HA GLY 114 1HA GLY 114 1.729 -14.907 18.493 942 2HA GLY 114 2HA GLY 114 1.591 -15.642 16.897 943 H GLU 115 H GLU 115 4.085 -14.496 15.814 944 HA GLU 115 HA GLU 115 6.024 -16.158 17.389 945 1HB GLU 115 1HB GLU 115 5.436 -16.883 15.081 946 2HB GLU 115 2HB GLU 115 6.005 -15.330 14.466 947 1HG GLU 115 1HG GLU 115 7.935 -16.565 14.187 948 2HG GLU 115 2HG GLU 115 8.192 -16.011 15.842 949 H VAL 116 H VAL 116 6.045 -13.860 18.658 950 HA VAL 116 HA VAL 116 8.464 -12.448 17.661 951 HB VAL 116 HB VAL 116 6.523 -11.294 16.675 952 1HG1 VAL 116 1HG1 VAL 116 4.792 -10.308 18.056 953 2HG1 VAL 116 2HG1 VAL 116 5.613 -10.828 19.528 954 3HG1 VAL 116 3HG1 VAL 116 4.900 -12.025 18.447 955 1HG2 VAL 116 1HG2 VAL 116 7.946 -9.870 18.934 956 2HG2 VAL 116 2HG2 VAL 116 6.883 -9.028 17.807 957 3HG2 VAL 116 3HG2 VAL 116 8.335 -9.833 17.213 958 HA PRO 117 HA PRO 117 9.214 -12.566 22.035 959 1HB PRO 117 1HB PRO 117 11.242 -10.737 22.204 960 2HB PRO 117 2HB PRO 117 11.471 -12.373 21.557 961 1HG PRO 117 1HG PRO 117 11.141 -9.795 20.110 962 2HG PRO 117 2HG PRO 117 12.190 -11.173 19.739 963 1HD PRO 117 1HD PRO 117 9.836 -10.679 18.453 964 2HD PRO 117 2HD PRO 117 10.534 -12.303 18.639 965 H CYS 118 H CYS 118 7.552 -11.604 23.262 966 HA CYS 118 HA CYS 118 7.601 -8.621 23.486 967 1HB CYS 118 1HB CYS 118 5.422 -10.470 22.606 968 2HB CYS 118 2HB CYS 118 4.964 -9.075 23.584 969 HG CYS 118 HG CYS 118 5.169 -7.742 21.513 970 H THR 119 H THR 119 8.238 -8.461 25.675 971 HA THR 119 HA THR 119 6.659 -10.085 27.648 972 HB THR 119 HB THR 119 8.929 -9.582 28.970 973 HG1 THR 119 HG1 THR 119 10.644 -9.426 27.589 974 1HG2 THR 119 1HG2 THR 119 8.517 -11.829 28.747 975 2HG2 THR 119 2HG2 THR 119 9.829 -11.696 27.577 976 3HG2 THR 119 3HG2 THR 119 8.154 -11.699 27.025 977 H VAL 120 H VAL 120 5.386 -8.767 28.959 978 HA VAL 120 HA VAL 120 6.370 -5.984 29.506 979 HB VAL 120 HB VAL 120 3.547 -6.953 28.922 980 1HG1 VAL 120 1HG1 VAL 120 2.894 -4.627 29.061 981 2HG1 VAL 120 2HG1 VAL 120 4.568 -4.122 29.287 982 3HG1 VAL 120 3HG1 VAL 120 3.746 -5.037 30.550 983 1HG2 VAL 120 1HG2 VAL 120 5.688 -5.628 27.291 984 2HG2 VAL 120 2HG2 VAL 120 4.005 -5.203 26.980 985 3HG2 VAL 120 3HG2 VAL 120 4.536 -6.876 26.818 986 1H GLN 1 1H GLN 1 17.121 -13.030 -25.599 987 2H GLN 1 2H GLN 1 18.301 -11.918 -25.091 988 3H GLN 1 3H GLN 1 17.385 -11.611 -26.488 989 HA GLN 1 HA GLN 1 16.564 -10.260 -24.659 990 1HB GLN 1 1HB GLN 1 15.067 -12.465 -25.994 991 2HB GLN 1 2HB GLN 1 14.215 -11.590 -24.722 992 1HG GLN 1 1HG GLN 1 15.199 -9.474 -26.000 993 2HG GLN 1 2HG GLN 1 15.219 -10.598 -27.359 994 1HE2 GLN 1 1HE2 GLN 1 12.888 -9.861 -24.655 995 2HE2 GLN 1 2HE2 GLN 1 11.531 -9.809 -25.674 996 H LYS 2 H LYS 2 16.689 -10.169 -22.409 997 HA LYS 2 HA LYS 2 15.866 -12.569 -20.847 998 1HB LYS 2 1HB LYS 2 17.968 -12.382 -19.521 999 2HB LYS 2 2HB LYS 2 18.287 -12.752 -21.214 1000 1HG LYS 2 1HG LYS 2 18.170 -9.882 -20.850 1001 2HG LYS 2 2HG LYS 2 19.309 -10.581 -19.703 1002 1HD LYS 2 1HD LYS 2 20.764 -10.472 -21.454 1003 2HD LYS 2 2HD LYS 2 19.966 -11.960 -21.962 1004 1HE LYS 2 1HE LYS 2 18.497 -10.758 -23.457 1005 2HE LYS 2 2HE LYS 2 19.038 -9.196 -22.812 1006 1HZ LYS 2 1HZ LYS 2 21.331 -9.854 -23.465 1007 2HZ LYS 2 2HZ LYS 2 20.283 -9.628 -24.784 1008 3HZ LYS 2 3HZ LYS 2 20.678 -11.198 -24.268 1009 H THR 3 H THR 3 14.022 -10.853 -20.582 1010 HA THR 3 HA THR 3 14.741 -9.000 -18.331 1011 HB THR 3 HB THR 3 12.454 -8.323 -20.094 1012 HG1 THR 3 HG1 THR 3 13.723 -7.725 -21.797 1013 1HG2 THR 3 1HG2 THR 3 14.114 -6.164 -19.999 1014 2HG2 THR 3 2HG2 THR 3 14.574 -6.999 -18.515 1015 3HG2 THR 3 3HG2 THR 3 12.896 -6.522 -18.775 1016 H GLY 4 H GLY 4 12.133 -8.208 -17.640 1017 1HA GLY 4 1HA GLY 4 9.952 -9.734 -17.503 1018 2HA GLY 4 2HA GLY 4 11.048 -10.758 -16.574 1019 H THR 5 H THR 5 9.001 -10.024 -15.052 1020 HA THR 5 HA THR 5 9.892 -7.578 -13.552 1021 HB THR 5 HB THR 5 7.163 -8.785 -13.295 1022 HG1 THR 5 HG1 THR 5 6.524 -7.975 -15.209 1023 1HG2 THR 5 1HG2 THR 5 8.246 -6.624 -12.186 1024 2HG2 THR 5 2HG2 THR 5 6.553 -6.644 -12.678 1025 3HG2 THR 5 3HG2 THR 5 7.764 -5.888 -13.714 1026 H ALA 6 H ALA 6 9.945 -7.754 -11.200 1027 HA ALA 6 HA ALA 6 9.456 -10.450 -10.035 1028 1HB ALA 6 1HB ALA 6 11.669 -10.900 -9.994 1029 2HB ALA 6 2HB ALA 6 11.934 -9.459 -9.014 1030 3HB ALA 6 3HB ALA 6 12.004 -9.355 -10.773 1031 H GLU 7 H GLU 7 10.499 -9.981 -7.478 1032 HA GLU 7 HA GLU 7 8.760 -7.728 -6.543 1033 1HB GLU 7 1HB GLU 7 9.998 -10.090 -5.081 1034 2HB GLU 7 2HB GLU 7 8.867 -8.932 -4.380 1035 1HG GLU 7 1HG GLU 7 7.277 -10.425 -5.026 1036 2HG GLU 7 2HG GLU 7 7.501 -9.712 -6.624 1037 H VAL 8 H VAL 8 11.561 -7.359 -7.669 1038 HA VAL 8 HA VAL 8 13.544 -6.987 -5.692 1039 HB VAL 8 HB VAL 8 13.885 -6.770 -8.136 1040 1HG1 VAL 8 1HG1 VAL 8 11.682 -5.402 -8.381 1041 2HG1 VAL 8 2HG1 VAL 8 13.045 -4.980 -9.414 1042 3HG1 VAL 8 3HG1 VAL 8 12.687 -4.007 -7.988 1043 1HG2 VAL 8 1HG2 VAL 8 15.021 -4.309 -7.881 1044 2HG2 VAL 8 2HG2 VAL 8 15.729 -5.782 -7.220 1045 3HG2 VAL 8 3HG2 VAL 8 14.776 -4.723 -6.184 1046 H SER 9 H SER 9 10.768 -4.873 -6.488 1047 HA SER 9 HA SER 9 11.652 -2.630 -4.859 1048 1HB SER 9 1HB SER 9 9.675 -3.008 -6.675 1049 2HB SER 9 2HB SER 9 8.737 -3.185 -5.195 1050 HG SER 9 HG SER 9 10.319 -0.996 -6.049 1051 H SER 10 H SER 10 9.681 -5.550 -4.174 1052 HA SER 10 HA SER 10 8.906 -4.761 -1.494 1053 1HB SER 10 1HB SER 10 9.018 -7.295 -3.094 1054 2HB SER 10 2HB SER 10 8.831 -7.439 -1.349 1055 HG SER 10 HG SER 10 6.794 -7.222 -2.078 1056 H ILE 11 H ILE 11 11.631 -6.830 -2.679 1057 HA ILE 11 HA ILE 11 12.726 -7.337 -0.064 1058 HB ILE 11 HB ILE 11 14.786 -7.938 -1.279 1059 1HG1 ILE 11 1HG1 ILE 11 13.464 -6.817 -3.758 1060 2HG1 ILE 11 2HG1 ILE 11 14.684 -5.938 -2.842 1061 1HG2 ILE 11 1HG2 ILE 11 12.718 -8.824 -3.220 1062 2HG2 ILE 11 2HG2 ILE 11 12.389 -9.164 -1.520 1063 3HG2 ILE 11 3HG2 ILE 11 13.860 -9.778 -2.274 1064 1HD1 ILE 11 1HD1 ILE 11 15.738 -7.139 -4.700 1065 2HD1 ILE 11 2HD1 ILE 11 15.042 -8.657 -4.133 1066 3HD1 ILE 11 3HD1 ILE 11 16.259 -7.828 -3.163 1067 H LEU 12 H LEU 12 13.108 -4.540 -2.267 1068 HA LEU 12 HA LEU 12 15.335 -3.293 -0.962 1069 1HB LEU 12 1HB LEU 12 14.182 -2.657 -3.156 1070 2HB LEU 12 2HB LEU 12 12.950 -1.862 -2.175 1071 HG LEU 12 HG LEU 12 15.063 -0.744 -1.025 1072 1HD1 LEU 12 1HD1 LEU 12 16.920 -1.624 -2.073 1073 2HD1 LEU 12 2HD1 LEU 12 16.610 -0.271 -3.160 1074 3HD1 LEU 12 3HD1 LEU 12 16.065 -1.893 -3.591 1075 1HD2 LEU 12 1HD2 LEU 12 13.219 0.399 -2.277 1076 2HD2 LEU 12 2HD2 LEU 12 14.102 0.105 -3.775 1077 3HD2 LEU 12 3HD2 LEU 12 14.792 1.153 -2.537 1078 H GLU 13 H GLU 13 11.833 -3.259 -0.145 1079 HA GLU 13 HA GLU 13 11.856 -1.171 1.801 1080 1HB GLU 13 1HB GLU 13 10.247 -3.642 1.291 1081 2HB GLU 13 2HB GLU 13 10.041 -2.855 2.856 1082 1HG GLU 13 1HG GLU 13 9.005 -1.035 1.953 1083 2HG GLU 13 2HG GLU 13 10.051 -1.022 0.532 1084 H GLU 14 H GLU 14 12.808 -4.615 2.148 1085 HA GLU 14 HA GLU 14 13.125 -4.693 4.987 1086 1HB GLU 14 1HB GLU 14 14.461 -6.070 2.659 1087 2HB GLU 14 2HB GLU 14 15.034 -6.372 4.299 1088 1HG GLU 14 1HG GLU 14 12.434 -6.697 4.769 1089 2HG GLU 14 2HG GLU 14 12.411 -7.076 3.047 1090 H ARG 15 H ARG 15 15.319 -3.378 2.474 1091 HA ARG 15 HA ARG 15 17.654 -2.976 4.049 1092 1HB ARG 15 1HB ARG 15 17.257 -2.564 1.543 1093 2HB ARG 15 2HB ARG 15 16.589 -0.999 2.012 1094 1HG ARG 15 1HG ARG 15 18.705 -0.435 3.153 1095 2HG ARG 15 2HG ARG 15 19.376 -1.997 2.675 1096 1HD ARG 15 1HD ARG 15 20.175 -0.704 0.920 1097 2HD ARG 15 2HD ARG 15 18.586 -1.122 0.245 1098 HE ARG 15 HE ARG 15 17.748 1.042 1.212 1099 1HH1 ARG 15 1HH2 ARG 15 19.618 1.770 -0.968 1100 2HH1 ARG 15 2HH2 ARG 15 20.688 2.891 -0.195 1101 1HH2 ARG 15 1HH1 ARG 15 19.781 1.948 3.016 1102 2HH2 ARG 15 2HH1 ARG 15 20.781 2.990 2.062 1103 H ILE 16 H ILE 16 14.609 -1.094 4.005 1104 HA ILE 16 HA ILE 16 15.519 1.254 5.367 1105 HB ILE 16 HB ILE 16 12.855 -0.218 5.513 1106 1HG1 ILE 16 1HG1 ILE 16 13.305 2.307 3.977 1107 2HG1 ILE 16 2HG1 ILE 16 13.941 0.813 3.294 1108 1HG2 ILE 16 1HG2 ILE 16 11.895 1.863 6.317 1109 2HG2 ILE 16 2HG2 ILE 16 13.451 2.680 6.185 1110 3HG2 ILE 16 3HG2 ILE 16 13.219 1.415 7.391 1111 1HD1 ILE 16 1HD1 ILE 16 11.068 1.333 4.115 1112 2HD1 ILE 16 2HD1 ILE 16 11.681 -0.220 3.549 1113 3HD1 ILE 16 3HD1 ILE 16 11.672 1.172 2.465 1114 H LEU 17 H LEU 17 14.495 -1.932 6.693 1115 HA LEU 17 HA LEU 17 15.502 -1.012 9.371 1116 1HB LEU 17 1HB LEU 17 13.086 -2.406 8.418 1117 2HB LEU 17 2HB LEU 17 13.854 -3.191 9.797 1118 HG LEU 17 HG LEU 17 13.939 -0.851 10.865 1119 1HD1 LEU 17 1HD1 LEU 17 12.406 -0.356 8.368 1120 2HD1 LEU 17 2HD1 LEU 17 13.418 0.743 9.305 1121 3HD1 LEU 17 3HD1 LEU 17 11.773 0.396 9.832 1122 1HD2 LEU 17 1HD2 LEU 17 11.592 -2.631 10.454 1123 2HD2 LEU 17 2HD2 LEU 17 11.254 -1.049 11.154 1124 3HD2 LEU 17 3HD2 LEU 17 12.384 -2.143 11.951 1125 H GLY 18 H GLY 18 17.220 -2.218 10.217 1126 1HA GLY 18 1HA GLY 18 17.919 -4.708 10.487 1127 2HA GLY 18 2HA GLY 18 17.990 -4.686 8.724 1128 H ALA 19 H ALA 19 19.115 -2.083 8.337 1129 HA ALA 19 HA ALA 19 21.715 -2.218 9.811 1130 1HB ALA 19 1HB ALA 19 22.532 -1.644 7.301 1131 2HB ALA 19 2HB ALA 19 21.097 -2.597 6.922 1132 3HB ALA 19 3HB ALA 19 22.392 -3.299 7.892 1133 H ASP 20 H ASP 20 22.111 -0.157 10.635 1134 HA ASP 20 HA ASP 20 20.955 2.177 9.142 1135 1HB ASP 20 1HB ASP 20 20.098 1.540 11.464 1136 2HB ASP 20 2HB ASP 20 21.691 1.991 12.074 1137 H THR 21 H THR 21 22.878 2.578 7.828 1138 HA THR 21 HA THR 21 25.173 3.679 9.400 1139 HB THR 21 HB THR 21 25.471 1.926 6.949 1140 HG1 THR 21 HG1 THR 21 24.653 0.526 8.374 1141 1HG2 THR 21 1HG2 THR 21 27.389 3.330 7.478 1142 2HG2 THR 21 2HG2 THR 21 27.769 1.657 7.886 1143 3HG2 THR 21 3HG2 THR 21 27.349 2.801 9.161 1144 H SER 22 H SER 22 26.091 5.552 8.418 1145 HA SER 22 HA SER 22 24.820 6.415 5.837 1146 1HB SER 22 1HB SER 22 26.055 8.296 7.818 1147 2HB SER 22 2HB SER 22 24.681 8.554 6.747 1148 HG SER 22 HG SER 22 23.812 8.267 8.735 1149 H VAL 23 H VAL 23 27.815 7.019 7.793 1150 HA VAL 23 HA VAL 23 29.329 7.121 5.201 1151 HB VAL 23 HB VAL 23 29.818 8.464 7.884 1152 1HG1 VAL 23 1HG1 VAL 23 31.535 9.754 6.534 1153 2HG1 VAL 23 2HG1 VAL 23 31.316 8.562 5.254 1154 3HG1 VAL 23 3HG1 VAL 23 31.942 8.064 6.824 1155 1HG2 VAL 23 1HG2 VAL 23 27.934 9.178 6.087 1156 2HG2 VAL 23 2HG2 VAL 23 29.326 9.994 5.375 1157 3HG2 VAL 23 3HG2 VAL 23 28.838 10.362 7.030 1158 H ASP 24 H ASP 24 30.615 5.285 4.952 1159 HA ASP 24 HA ASP 24 31.692 4.000 7.443 1160 1HB ASP 24 1HB ASP 24 29.946 2.952 5.673 1161 2HB ASP 24 2HB ASP 24 31.454 2.517 4.869 1162 H LEU 25 H LEU 25 33.947 3.991 7.584 1163 HA LEU 25 HA LEU 25 35.485 4.457 5.045 1164 1HB LEU 25 1HB LEU 25 35.952 5.404 7.891 1165 2HB LEU 25 2HB LEU 25 37.076 5.673 6.559 1166 HG LEU 25 HG LEU 25 34.212 6.482 6.206 1167 1HD1 LEU 25 1HD1 LEU 25 34.762 7.442 8.374 1168 2HD1 LEU 25 2HD1 LEU 25 34.802 8.722 7.161 1169 3HD1 LEU 25 3HD1 LEU 25 36.309 8.027 7.760 1170 1HD2 LEU 25 1HD2 LEU 25 35.565 6.741 4.271 1171 2HD2 LEU 25 2HD2 LEU 25 36.925 7.362 5.206 1172 3HD2 LEU 25 3HD2 LEU 25 35.488 8.358 4.973 Start of MODEL 4 1 1H PHE 1 1H PHE 1 -33.599 -18.749 -16.184 2 2H PHE 1 2H PHE 1 -34.000 -17.509 -17.274 3 3H PHE 1 3H PHE 1 -33.933 -17.189 -15.607 4 HA PHE 1 HA PHE 1 -31.582 -18.016 -17.232 5 1HB PHE 1 1HB PHE 1 -32.977 -15.724 -17.534 6 2HB PHE 1 2HB PHE 1 -31.971 -15.261 -16.160 7 HD1 PHE 1 HD1 PHE 1 -32.113 -15.310 -19.653 8 HD2 PHE 1 HD2 PHE 1 -29.408 -16.085 -16.407 9 HE1 PHE 1 HE1 PHE 1 -30.187 -14.966 -21.177 10 HE2 PHE 1 HE2 PHE 1 -27.482 -15.740 -17.931 11 HZ PHE 1 HZ PHE 1 -27.871 -15.181 -20.316 12 H ALA 2 H ALA 2 -30.409 -19.171 -15.644 13 HA ALA 2 HA ALA 2 -30.119 -17.836 -12.969 14 1HB ALA 2 1HB ALA 2 -29.882 -20.167 -12.109 15 2HB ALA 2 2HB ALA 2 -30.154 -20.772 -13.743 16 3HB ALA 2 3HB ALA 2 -31.439 -19.908 -12.898 17 H LYS 3 H LYS 3 -28.167 -16.712 -13.931 18 HA LYS 3 HA LYS 3 -25.784 -18.510 -13.853 19 1HB LYS 3 1HB LYS 3 -26.889 -17.797 -16.201 20 2HB LYS 3 2HB LYS 3 -25.897 -16.365 -15.924 21 1HG LYS 3 1HG LYS 3 -23.922 -17.520 -16.130 22 2HG LYS 3 2HG LYS 3 -24.599 -19.003 -15.457 23 1HD LYS 3 1HD LYS 3 -25.685 -18.088 -18.077 24 2HD LYS 3 2HD LYS 3 -24.051 -18.750 -18.072 25 1HE LYS 3 1HE LYS 3 -25.155 -20.665 -16.611 26 2HE LYS 3 2HE LYS 3 -26.642 -20.113 -17.408 27 1HZ LYS 3 1HZ LYS 3 -25.550 -21.757 -18.782 28 2HZ LYS 3 2HZ LYS 3 -24.101 -20.868 -18.757 29 3HZ LYS 3 3HZ LYS 3 -25.472 -20.243 -19.543 30 H LEU 4 H LEU 4 -24.201 -17.577 -12.539 31 HA LEU 4 HA LEU 4 -24.342 -14.606 -12.113 32 1HB LEU 4 1HB LEU 4 -23.697 -16.886 -10.215 33 2HB LEU 4 2HB LEU 4 -23.554 -15.178 -9.796 34 HG LEU 4 HG LEU 4 -26.131 -16.322 -10.872 35 1HD1 LEU 4 1HD1 LEU 4 -26.881 -16.565 -8.537 36 2HD1 LEU 4 2HD1 LEU 4 -25.276 -16.107 -7.968 37 3HD1 LEU 4 3HD1 LEU 4 -25.500 -17.613 -8.859 38 1HD2 LEU 4 1HD2 LEU 4 -27.061 -14.306 -10.197 39 2HD2 LEU 4 2HD2 LEU 4 -25.429 -13.770 -10.596 40 3HD2 LEU 4 3HD2 LEU 4 -25.872 -14.068 -8.916 41 H VAL 5 H VAL 5 -22.227 -13.551 -11.787 42 HA VAL 5 HA VAL 5 -19.863 -15.239 -12.527 43 HB VAL 5 HB VAL 5 -20.659 -12.513 -13.613 44 1HG1 VAL 5 1HG1 VAL 5 -18.185 -14.185 -13.815 45 2HG1 VAL 5 2HG1 VAL 5 -18.348 -12.430 -13.738 46 3HG1 VAL 5 3HG1 VAL 5 -18.697 -13.284 -15.241 47 1HG2 VAL 5 1HG2 VAL 5 -22.036 -14.221 -14.614 48 2HG2 VAL 5 2HG2 VAL 5 -20.653 -15.297 -14.814 49 3HG2 VAL 5 3HG2 VAL 5 -20.776 -13.828 -15.783 50 H ARG 6 H ARG 6 -19.680 -15.017 -10.008 51 HA ARG 6 HA ARG 6 -18.117 -12.538 -9.408 52 1HB ARG 6 1HB ARG 6 -20.478 -12.322 -8.636 53 2HB ARG 6 2HB ARG 6 -20.276 -13.789 -7.677 54 1HG ARG 6 1HG ARG 6 -18.261 -12.581 -6.602 55 2HG ARG 6 2HG ARG 6 -18.936 -11.111 -7.306 56 1HD ARG 6 1HD ARG 6 -20.850 -11.186 -5.961 57 2HD ARG 6 2HD ARG 6 -20.712 -12.936 -5.696 58 HE ARG 6 HE ARG 6 -18.924 -12.523 -4.116 59 1HH1 ARG 6 1HH2 ARG 6 -17.636 -10.163 -5.378 60 2HH1 ARG 6 2HH2 ARG 6 -18.089 -8.872 -4.316 61 1HH2 ARG 6 1HH1 ARG 6 -20.653 -10.657 -2.811 62 2HH2 ARG 6 2HH1 ARG 6 -19.798 -9.152 -2.863 63 HA PRO 7 HA PRO 7 -15.948 -16.374 -8.026 64 1HB PRO 7 1HB PRO 7 -13.437 -15.557 -8.746 65 2HB PRO 7 2HB PRO 7 -14.554 -16.355 -9.872 66 1HG PRO 7 1HG PRO 7 -13.889 -13.470 -9.592 67 2HG PRO 7 2HG PRO 7 -14.193 -14.423 -11.053 68 1HD PRO 7 1HD PRO 7 -16.032 -12.746 -9.924 69 2HD PRO 7 2HD PRO 7 -16.459 -14.166 -10.905 70 HA PRO 8 HA PRO 8 -14.777 -14.395 -4.236 71 1HB PRO 8 1HB PRO 8 -13.340 -16.408 -3.067 72 2HB PRO 8 2HB PRO 8 -15.110 -16.432 -3.187 73 1HG PRO 8 1HG PRO 8 -13.083 -17.850 -4.834 74 2HG PRO 8 2HG PRO 8 -14.672 -18.397 -4.276 75 1HD PRO 8 1HD PRO 8 -14.164 -17.510 -6.815 76 2HD PRO 8 2HD PRO 8 -15.761 -17.443 -6.040 77 H VAL 9 H VAL 9 -13.003 -13.100 -3.574 78 HA VAL 9 HA VAL 9 -10.273 -13.837 -4.502 79 HB VAL 9 HB VAL 9 -10.021 -11.591 -5.544 80 1HG1 VAL 9 1HG1 VAL 9 -10.855 -13.669 -6.790 81 2HG1 VAL 9 2HG1 VAL 9 -11.189 -12.114 -7.551 82 3HG1 VAL 9 3HG1 VAL 9 -12.465 -12.959 -6.677 83 1HG2 VAL 9 1HG2 VAL 9 -11.665 -10.326 -4.281 84 2HG2 VAL 9 2HG2 VAL 9 -12.969 -11.365 -4.856 85 3HG2 VAL 9 3HG2 VAL 9 -12.136 -10.293 -5.980 86 H GLN 10 H GLN 10 -8.829 -13.406 -2.834 87 HA GLN 10 HA GLN 10 -9.254 -11.052 -1.085 88 1HB GLN 10 1HB GLN 10 -10.665 -12.915 -0.192 89 2HB GLN 10 2HB GLN 10 -9.208 -13.895 -0.022 90 1HG GLN 10 1HG GLN 10 -9.242 -11.165 1.208 91 2HG GLN 10 2HG GLN 10 -10.114 -12.465 2.019 92 1HE2 GLN 10 1HE2 GLN 10 -8.708 -14.598 2.288 93 2HE2 GLN 10 2HE2 GLN 10 -7.075 -14.355 2.681 94 H ILE 11 H ILE 11 -7.376 -14.156 -1.153 95 HA ILE 11 HA ILE 11 -4.895 -12.499 -0.851 96 HB ILE 11 HB ILE 11 -5.642 -13.736 1.160 97 1HG1 ILE 11 1HG1 ILE 11 -3.355 -15.299 1.010 98 2HG1 ILE 11 2HG1 ILE 11 -3.059 -14.051 -0.196 99 1HG2 ILE 11 1HG2 ILE 11 -6.499 -15.805 0.950 100 2HG2 ILE 11 2HG2 ILE 11 -4.912 -16.400 0.466 101 3HG2 ILE 11 3HG2 ILE 11 -6.055 -15.843 -0.756 102 1HD1 ILE 11 1HD1 ILE 11 -2.224 -13.225 1.909 103 2HD1 ILE 11 2HD1 ILE 11 -3.731 -13.640 2.727 104 3HD1 ILE 11 3HD1 ILE 11 -3.701 -12.335 1.539 105 H TYR 12 H TYR 12 -3.054 -13.209 -2.127 106 HA TYR 12 HA TYR 12 -3.612 -15.419 -4.074 107 1HB TYR 12 1HB TYR 12 -2.425 -12.736 -4.861 108 2HB TYR 12 2HB TYR 12 -3.142 -13.954 -5.910 109 HD1 TYR 12 HD1 TYR 12 -3.932 -11.497 -3.212 110 HD2 TYR 12 HD2 TYR 12 -5.489 -13.920 -6.401 111 HE1 TYR 12 HE1 TYR 12 -6.135 -10.440 -2.922 112 HE2 TYR 12 HE2 TYR 12 -7.704 -12.833 -6.131 113 HH TYR 12 HH TYR 12 -8.336 -10.200 -4.945 114 H GLY 13 H GLY 13 -1.018 -13.015 -3.246 115 1HA GLY 13 1HA GLY 13 0.887 -14.689 -2.165 116 2HA GLY 13 2HA GLY 13 1.061 -14.977 -3.895 117 H ILE 14 H ILE 14 1.859 -13.225 -5.248 118 HA ILE 14 HA ILE 14 3.851 -11.547 -4.138 119 HB ILE 14 HB ILE 14 3.604 -12.056 -6.555 120 1HG1 ILE 14 1HG1 ILE 14 4.126 -9.783 -7.413 121 2HG1 ILE 14 2HG1 ILE 14 3.526 -9.089 -5.908 122 1HG2 ILE 14 1HG2 ILE 14 1.946 -10.797 -7.896 123 2HG2 ILE 14 2HG2 ILE 14 1.273 -10.117 -6.415 124 3HG2 ILE 14 3HG2 ILE 14 1.153 -11.848 -6.723 125 1HD1 ILE 14 1HD1 ILE 14 6.141 -9.759 -6.346 126 2HD1 ILE 14 2HD1 ILE 14 5.544 -11.223 -5.564 127 3HD1 ILE 14 3HD1 ILE 14 5.400 -9.667 -4.748 128 H GLU 15 H GLU 15 0.363 -10.839 -4.580 129 HA GLU 15 HA GLU 15 0.540 -8.038 -3.845 130 1HB GLU 15 1HB GLU 15 -1.611 -10.130 -4.011 131 2HB GLU 15 2HB GLU 15 -1.976 -8.613 -3.188 132 1HG GLU 15 1HG GLU 15 -1.352 -7.335 -5.165 133 2HG GLU 15 2HG GLU 15 -0.827 -8.804 -5.988 134 H GLY 16 H GLY 16 0.045 -11.050 -1.929 135 1HA GLY 16 1HA GLY 16 -0.406 -9.695 0.573 136 2HA GLY 16 2HA GLY 16 0.120 -11.372 0.397 137 H ARG 17 H ARG 17 2.544 -10.979 -1.027 138 HA ARG 17 HA ARG 17 4.397 -10.392 1.082 139 1HB ARG 17 1HB ARG 17 4.711 -10.412 -1.940 140 2HB ARG 17 2HB ARG 17 6.069 -10.333 -0.817 141 1HG ARG 17 1HG ARG 17 4.062 -12.486 -0.356 142 2HG ARG 17 2HG ARG 17 5.127 -12.669 -1.751 143 1HD ARG 17 1HD ARG 17 7.066 -12.143 -0.132 144 2HD ARG 17 2HD ARG 17 5.896 -12.449 1.167 145 HE ARG 17 HE ARG 17 6.504 -14.455 -0.976 146 1HH1 ARG 17 1HH1 ARG 17 7.668 -14.349 1.936 147 2HH1 ARG 17 2HH1 ARG 17 6.724 -15.604 2.669 148 1HH2 ARG 17 1HH2 ARG 17 4.410 -15.731 0.090 149 2HH2 ARG 17 2HH2 ARG 17 4.880 -16.386 1.623 150 H TYR 18 H TYR 18 2.861 -8.203 -1.280 151 HA TYR 18 HA TYR 18 4.715 -6.020 -1.047 152 1HB TYR 18 1HB TYR 18 1.821 -6.362 -1.762 153 2HB TYR 18 2HB TYR 18 2.383 -4.726 -1.430 154 HD1 TYR 18 HD1 TYR 18 2.518 -3.659 -3.510 155 HD2 TYR 18 HD2 TYR 18 4.165 -7.603 -3.054 156 HE1 TYR 18 HE1 TYR 18 3.465 -3.533 -5.799 157 HE2 TYR 18 HE2 TYR 18 5.112 -7.473 -5.341 158 HH TYR 18 HH TYR 18 5.631 -4.827 -6.966 159 H ALA 19 H ALA 19 1.861 -6.903 0.949 160 HA ALA 19 HA ALA 19 2.236 -4.596 2.738 161 1HB ALA 19 1HB ALA 19 0.615 -6.170 4.150 162 2HB ALA 19 2HB ALA 19 0.477 -7.030 2.614 163 3HB ALA 19 3HB ALA 19 0.019 -5.329 2.718 164 H THR 20 H THR 20 3.080 -8.089 2.809 165 HA THR 20 HA THR 20 4.172 -7.912 5.505 166 HB THR 20 HB THR 20 5.285 -10.167 4.382 167 HG1 THR 20 HG1 THR 20 3.691 -10.974 2.995 168 1HG2 THR 20 1HG2 THR 20 3.178 -11.278 5.300 169 2HG2 THR 20 2HG2 THR 20 2.571 -9.651 5.619 170 3HG2 THR 20 3HG2 THR 20 4.035 -10.222 6.424 171 H ALA 21 H ALA 21 5.528 -7.376 2.264 172 HA ALA 21 HA ALA 21 8.292 -7.460 3.278 173 1HB ALA 21 1HB ALA 21 8.026 -7.994 0.972 174 2HB ALA 21 2HB ALA 21 8.680 -6.356 0.955 175 3HB ALA 21 3HB ALA 21 6.956 -6.619 0.695 176 H LEU 22 H LEU 22 5.723 -5.061 3.215 177 HA LEU 22 HA LEU 22 7.714 -2.866 3.667 178 1HB LEU 22 1HB LEU 22 5.811 -2.553 2.056 179 2HB LEU 22 2HB LEU 22 4.686 -2.800 3.393 180 HG LEU 22 HG LEU 22 6.399 -0.876 4.408 181 1HD1 LEU 22 1HD1 LEU 22 6.072 -0.506 1.430 182 2HD1 LEU 22 2HD1 LEU 22 7.541 -0.381 2.397 183 3HD1 LEU 22 3HD1 LEU 22 6.304 0.870 2.508 184 1HD2 LEU 22 1HD2 LEU 22 4.217 -0.367 4.836 185 2HD2 LEU 22 2HD2 LEU 22 3.663 -0.968 3.274 186 3HD2 LEU 22 3HD2 LEU 22 4.370 0.642 3.398 187 H TYR 23 H TYR 23 4.902 -4.484 5.213 188 HA TYR 23 HA TYR 23 5.338 -2.997 7.683 189 1HB TYR 23 1HB TYR 23 3.236 -3.712 8.076 190 2HB TYR 23 2HB TYR 23 3.268 -4.509 6.517 191 HD1 TYR 23 HD1 TYR 23 4.362 -5.077 10.055 192 HD2 TYR 23 HD2 TYR 23 2.856 -6.768 6.416 193 HE1 TYR 23 HE1 TYR 23 4.171 -7.268 11.165 194 HE2 TYR 23 HE2 TYR 23 2.693 -8.959 7.493 195 HH TYR 23 HH TYR 23 4.202 -9.874 10.098 196 H SER 24 H SER 24 6.845 -5.840 6.238 197 HA SER 24 HA SER 24 7.566 -7.371 8.523 198 1HB SER 24 1HB SER 24 9.829 -7.553 7.136 199 2HB SER 24 2HB SER 24 8.338 -8.242 6.498 200 HG SER 24 HG SER 24 9.486 -6.883 4.998 201 H ALA 25 H ALA 25 8.866 -4.239 7.372 202 HA ALA 25 HA ALA 25 10.874 -4.064 9.520 203 1HB ALA 25 1HB ALA 25 11.271 -1.855 8.612 204 2HB ALA 25 2HB ALA 25 9.696 -1.837 7.819 205 3HB ALA 25 3HB ALA 25 10.966 -2.909 7.231 206 H ALA 26 H ALA 26 7.560 -2.817 8.848 207 HA ALA 26 HA ALA 26 7.260 -1.189 11.197 208 1HB ALA 26 1HB ALA 26 5.195 -2.889 9.742 209 2HB ALA 26 2HB ALA 26 5.678 -1.261 9.271 210 3HB ALA 26 3HB ALA 26 4.837 -1.523 10.797 211 H SER 27 H SER 27 6.748 -4.716 10.700 212 HA SER 27 HA SER 27 5.580 -5.351 13.223 213 1HB SER 27 1HB SER 27 6.196 -6.786 11.068 214 2HB SER 27 2HB SER 27 7.651 -7.154 11.992 215 HG SER 27 HG SER 27 6.199 -8.664 12.610 216 H LYS 28 H LYS 28 9.041 -4.965 12.320 217 HA LYS 28 HA LYS 28 10.142 -5.753 14.874 218 1HB LYS 28 1HB LYS 28 11.076 -3.978 12.605 219 2HB LYS 28 2HB LYS 28 12.067 -4.210 14.046 220 1HG LYS 28 1HG LYS 28 11.443 -6.787 13.507 221 2HG LYS 28 2HG LYS 28 11.408 -6.126 11.872 222 1HD LYS 28 1HD LYS 28 13.658 -6.553 11.972 223 2HD LYS 28 2HD LYS 28 13.686 -4.979 12.766 224 1HE LYS 28 1HE LYS 28 13.104 -7.258 14.570 225 2HE LYS 28 2HE LYS 28 14.742 -7.231 13.888 226 1HZ LYS 28 1HZ LYS 28 14.766 -5.856 15.812 227 2HZ LYS 28 2HZ LYS 28 13.356 -5.038 15.332 228 3HZ LYS 28 3HZ LYS 28 14.804 -4.821 14.469 229 H GLN 29 H GLN 29 8.967 -2.592 13.626 230 HA GLN 29 HA GLN 29 9.585 -1.308 16.239 231 1HB GLN 29 1HB GLN 29 8.628 -0.367 13.535 232 2HB GLN 29 2HB GLN 29 8.620 0.707 14.933 233 1HG GLN 29 1HG GLN 29 11.076 0.057 15.261 234 2HG GLN 29 2HG GLN 29 10.996 -0.644 13.644 235 1HE2 GLN 29 1HE2 GLN 29 10.982 0.821 11.817 236 2HE2 GLN 29 2HE2 GLN 29 11.095 2.504 12.003 237 H ASN 30 H ASN 30 6.978 -3.160 15.112 238 HA ASN 30 HA ASN 30 4.820 -3.465 15.950 239 1HB ASN 30 1HB ASN 30 6.210 -2.706 18.085 240 2HB ASN 30 2HB ASN 30 5.248 -1.236 17.919 241 1HD2 ASN 30 1HD2 ASN 30 3.784 -1.577 19.715 242 2HD2 ASN 30 2HD2 ASN 30 2.718 -2.897 19.778 243 H LYS 31 H LYS 31 5.249 -1.745 13.707 244 HA LYS 31 HA LYS 31 3.339 0.496 14.226 245 1HB LYS 31 1HB LYS 31 5.323 -0.014 11.991 246 2HB LYS 31 2HB LYS 31 4.304 1.419 12.135 247 1HG LYS 31 1HG LYS 31 5.918 0.706 14.528 248 2HG LYS 31 2HG LYS 31 6.812 1.308 13.132 249 1HD LYS 31 1HD LYS 31 4.341 2.796 13.862 250 2HD LYS 31 2HD LYS 31 5.707 2.950 14.968 251 1HE LYS 31 1HE LYS 31 6.963 4.133 13.455 252 2HE LYS 31 2HE LYS 31 6.358 3.195 12.076 253 1HZ LYS 31 1HZ LYS 31 4.258 4.311 12.219 254 2HZ LYS 31 2HZ LYS 31 5.478 5.492 12.140 255 3HZ LYS 31 3HZ LYS 31 4.729 5.138 13.624 256 H LEU 32 H LEU 32 2.894 -2.636 13.343 257 HA LEU 32 HA LEU 32 1.700 -2.738 10.786 258 1HB LEU 32 1HB LEU 32 1.252 -4.085 13.418 259 2HB LEU 32 2HB LEU 32 0.057 -4.350 12.147 260 HG LEU 32 HG LEU 32 2.801 -4.506 11.139 261 1HD1 LEU 32 1HD1 LEU 32 2.386 -6.985 12.556 262 2HD1 LEU 32 2HD1 LEU 32 2.453 -5.636 13.690 263 3HD1 LEU 32 3HD1 LEU 32 3.783 -5.906 12.563 264 1HD2 LEU 32 1HD2 LEU 32 1.520 -5.603 9.639 265 2HD2 LEU 32 2HD2 LEU 32 0.191 -5.780 10.790 266 3HD2 LEU 32 3HD2 LEU 32 1.502 -6.954 10.773 267 H GLU 33 H GLU 33 0.390 -1.243 13.767 268 HA GLU 33 HA GLU 33 -2.283 -0.816 12.641 269 1HB GLU 33 1HB GLU 33 -0.736 0.480 14.921 270 2HB GLU 33 2HB GLU 33 -2.428 0.838 14.570 271 1HG GLU 33 1HG GLU 33 -2.574 -1.847 14.625 272 2HG GLU 33 2HG GLU 33 -1.212 -1.623 15.723 273 H GLN 34 H GLN 34 0.685 1.186 12.987 274 HA GLN 34 HA GLN 34 -0.324 3.551 11.679 275 1HB GLN 34 1HB GLN 34 2.338 2.377 12.332 276 2HB GLN 34 2HB GLN 34 2.311 3.622 11.087 277 1HG GLN 34 1HG GLN 34 0.684 4.257 13.468 278 2HG GLN 34 2HG GLN 34 2.414 4.130 13.783 279 1HE2 GLN 34 1HE2 GLN 34 0.640 5.379 10.866 280 2HE2 GLN 34 2HE2 GLN 34 1.397 6.898 10.899 281 H VAL 35 H VAL 35 0.764 0.447 10.352 282 HA VAL 35 HA VAL 35 0.835 1.621 7.608 283 HB VAL 35 HB VAL 35 1.366 -1.274 8.312 284 1HG1 VAL 35 1HG1 VAL 35 2.112 0.664 6.162 285 2HG1 VAL 35 2HG1 VAL 35 1.567 -1.009 6.027 286 3HG1 VAL 35 3HG1 VAL 35 3.222 -0.658 6.525 287 1HG2 VAL 35 1HG2 VAL 35 2.922 1.052 9.258 288 2HG2 VAL 35 2HG2 VAL 35 3.886 -0.124 8.366 289 3HG2 VAL 35 3HG2 VAL 35 2.984 -0.629 9.794 290 H GLU 36 H GLU 36 -0.778 -1.044 9.434 291 HA GLU 36 HA GLU 36 -2.520 -1.905 7.323 292 1HB GLU 36 1HB GLU 36 -2.024 -2.932 9.660 293 2HB GLU 36 2HB GLU 36 -3.300 -1.867 10.242 294 1HG GLU 36 1HG GLU 36 -4.739 -2.847 8.342 295 2HG GLU 36 2HG GLU 36 -3.509 -4.107 8.230 296 H LYS 37 H LYS 37 -2.847 0.807 9.643 297 HA LYS 37 HA LYS 37 -5.650 1.299 8.930 298 1HB LYS 37 1HB LYS 37 -3.528 2.733 10.532 299 2HB LYS 37 2HB LYS 37 -5.077 3.509 10.199 300 1HG LYS 37 1HG LYS 37 -6.075 1.229 11.058 301 2HG LYS 37 2HG LYS 37 -4.501 1.058 11.836 302 1HD LYS 37 1HD LYS 37 -4.860 3.414 12.763 303 2HD LYS 37 2HD LYS 37 -6.534 3.261 12.228 304 1HE LYS 37 1HE LYS 37 -6.578 1.044 13.555 305 2HE LYS 37 2HE LYS 37 -5.088 1.629 14.322 306 1HZ LYS 37 1HZ LYS 37 -7.690 3.057 14.191 307 2HZ LYS 37 2HZ LYS 37 -6.252 3.734 14.791 308 3HZ LYS 37 3HZ LYS 37 -6.965 2.411 15.582 309 H GLU 38 H GLU 38 -2.501 2.850 8.071 310 HA GLU 38 HA GLU 38 -3.782 4.832 6.364 311 1HB GLU 38 1HB GLU 38 -0.986 3.819 6.825 312 2HB GLU 38 2HB GLU 38 -1.311 4.856 5.441 313 1HG GLU 38 1HG GLU 38 -0.805 6.445 7.058 314 2HG GLU 38 2HG GLU 38 -2.558 6.348 7.213 315 H LEU 39 H LEU 39 -2.337 1.590 5.782 316 HA LEU 39 HA LEU 39 -2.561 1.616 2.908 317 1HB LEU 39 1HB LEU 39 -2.318 -0.430 5.066 318 2HB LEU 39 2HB LEU 39 -2.958 -1.003 3.528 319 HG LEU 39 HG LEU 39 -0.994 0.121 2.399 320 1HD1 LEU 39 1HD1 LEU 39 -0.556 1.592 4.455 321 2HD1 LEU 39 2HD1 LEU 39 0.860 0.863 3.698 322 3HD1 LEU 39 3HD1 LEU 39 0.195 0.170 5.177 323 1HD2 LEU 39 1HD2 LEU 39 0.665 -1.641 3.543 324 2HD2 LEU 39 2HD2 LEU 39 -0.661 -2.163 2.503 325 3HD2 LEU 39 3HD2 LEU 39 -0.843 -2.214 4.256 326 H LEU 40 H LEU 40 -4.925 0.729 5.471 327 HA LEU 40 HA LEU 40 -6.992 -0.306 3.788 328 1HB LEU 40 1HB LEU 40 -6.871 -0.260 6.335 329 2HB LEU 40 2HB LEU 40 -7.394 1.422 6.252 330 HG LEU 40 HG LEU 40 -9.285 0.364 4.688 331 1HD1 LEU 40 1HD1 LEU 40 -8.367 -1.921 4.835 332 2HD1 LEU 40 2HD1 LEU 40 -9.967 -1.842 5.571 333 3HD1 LEU 40 3HD1 LEU 40 -8.530 -1.876 6.591 334 1HD2 LEU 40 1HD2 LEU 40 -10.023 1.576 6.543 335 2HD2 LEU 40 2HD2 LEU 40 -9.087 0.603 7.677 336 3HD2 LEU 40 3HD2 LEU 40 -10.560 -0.052 6.960 337 H ARG 41 H ARG 41 -6.138 3.095 4.544 338 HA ARG 41 HA ARG 41 -8.459 4.363 3.455 339 1HB ARG 41 1HB ARG 41 -5.572 5.119 3.831 340 2HB ARG 41 2HB ARG 41 -6.634 6.213 2.945 341 1HG ARG 41 1HG ARG 41 -7.708 5.139 5.498 342 2HG ARG 41 2HG ARG 41 -6.366 6.276 5.640 343 1HD ARG 41 1HD ARG 41 -7.625 7.872 4.161 344 2HD ARG 41 2HD ARG 41 -9.004 6.755 4.209 345 HE ARG 41 HE ARG 41 -7.838 8.067 6.634 346 1HH1 ARG 41 1HH2 ARG 41 -9.692 5.460 6.337 347 2HH1 ARG 41 2HH2 ARG 41 -11.168 6.135 6.944 348 1HH2 ARG 41 1HH1 ARG 41 -10.037 9.410 6.802 349 2HH2 ARG 41 2HH1 ARG 41 -11.363 8.371 7.207 350 H VAL 42 H VAL 42 -5.451 3.256 1.812 351 HA VAL 42 HA VAL 42 -6.070 4.333 -0.784 352 HB VAL 42 HB VAL 42 -4.534 1.826 0.006 353 1HG1 VAL 42 1HG1 VAL 42 -3.332 2.670 -2.248 354 2HG1 VAL 42 2HG1 VAL 42 -4.969 3.233 -2.588 355 3HG1 VAL 42 3HG1 VAL 42 -4.671 1.524 -2.274 356 1HG2 VAL 42 1HG2 VAL 42 -3.388 3.557 1.058 357 2HG2 VAL 42 2HG2 VAL 42 -3.877 4.749 -0.145 358 3HG2 VAL 42 3HG2 VAL 42 -2.619 3.575 -0.528 359 H GLY 43 H GLY 43 -7.012 1.227 0.763 360 1HA GLY 43 1HA GLY 43 -8.268 0.118 -1.573 361 2HA GLY 43 2HA GLY 43 -8.582 -0.379 0.090 362 H GLN 44 H GLN 44 -9.554 2.024 1.199 363 HA GLN 44 HA GLN 44 -12.303 2.018 0.291 364 1HB GLN 44 1HB GLN 44 -11.363 2.668 2.587 365 2HB GLN 44 2HB GLN 44 -10.928 4.218 1.864 366 1HG GLN 44 1HG GLN 44 -13.124 4.890 1.639 367 2HG GLN 44 2HG GLN 44 -13.721 3.239 1.466 368 1HE2 GLN 44 1HE2 GLN 44 -12.917 5.757 3.827 369 2HE2 GLN 44 2HE2 GLN 44 -13.478 4.903 5.183 370 H ILE 45 H ILE 45 -9.555 4.238 -0.358 371 HA ILE 45 HA ILE 45 -11.027 6.255 -1.788 372 HB ILE 45 HB ILE 45 -8.167 5.227 -2.050 373 1HG1 ILE 45 1HG1 ILE 45 -9.054 7.806 -0.772 374 2HG1 ILE 45 2HG1 ILE 45 -9.127 6.295 0.135 375 1HG2 ILE 45 1HG2 ILE 45 -7.624 7.287 -3.212 376 2HG2 ILE 45 2HG2 ILE 45 -9.279 7.871 -3.036 377 3HG2 ILE 45 3HG2 ILE 45 -8.937 6.495 -4.084 378 1HD1 ILE 45 1HD1 ILE 45 -6.939 7.780 0.194 379 2HD1 ILE 45 2HD1 ILE 45 -6.607 6.972 -1.337 380 3HD1 ILE 45 3HD1 ILE 45 -6.819 6.022 0.132 381 H LEU 46 H LEU 46 -9.534 3.192 -2.948 382 HA LEU 46 HA LEU 46 -10.467 3.687 -5.699 383 1HB LEU 46 1HB LEU 46 -8.400 2.396 -5.173 384 2HB LEU 46 2HB LEU 46 -9.393 1.160 -4.399 385 HG LEU 46 HG LEU 46 -10.583 0.772 -6.525 386 1HD1 LEU 46 1HD1 LEU 46 -9.597 1.832 -8.605 387 2HD1 LEU 46 2HD1 LEU 46 -8.690 2.912 -7.546 388 3HD1 LEU 46 3HD1 LEU 46 -10.454 2.956 -7.549 389 1HD2 LEU 46 1HD2 LEU 46 -7.560 0.649 -6.600 390 2HD2 LEU 46 2HD2 LEU 46 -8.576 -0.102 -7.829 391 3HD2 LEU 46 3HD2 LEU 46 -8.680 -0.637 -6.152 392 H LYS 47 H LYS 47 -11.660 1.917 -2.838 393 HA LYS 47 HA LYS 47 -13.761 0.515 -4.320 394 1HB LYS 47 1HB LYS 47 -12.782 -0.259 -2.141 395 2HB LYS 47 2HB LYS 47 -13.521 1.136 -1.351 396 1HG LYS 47 1HG LYS 47 -15.333 -0.524 -3.020 397 2HG LYS 47 2HG LYS 47 -14.746 -1.273 -1.535 398 1HD LYS 47 1HD LYS 47 -15.724 1.543 -1.365 399 2HD LYS 47 2HD LYS 47 -16.930 0.269 -1.552 400 1HE LYS 47 1HE LYS 47 -16.505 -0.623 0.533 401 2HE LYS 47 2HE LYS 47 -14.786 -0.187 0.480 402 1HZ LYS 47 1HZ LYS 47 -17.064 1.695 0.802 403 2HZ LYS 47 2HZ LYS 47 -15.435 2.155 0.650 404 3HZ LYS 47 3HZ LYS 47 -15.948 1.266 2.005 405 H GLU 48 H GLU 48 -13.425 3.700 -2.746 406 HA GLU 48 HA GLU 48 -16.115 4.397 -2.312 407 1HB GLU 48 1HB GLU 48 -13.607 5.831 -3.054 408 2HB GLU 48 2HB GLU 48 -15.114 6.737 -3.212 409 1HG GLU 48 1HG GLU 48 -15.526 5.625 -0.786 410 2HG GLU 48 2HG GLU 48 -13.764 5.724 -0.765 411 HA PRO 49 HA PRO 49 -17.795 4.204 -6.432 412 1HB PRO 49 1HB PRO 49 -20.125 5.581 -6.023 413 2HB PRO 49 2HB PRO 49 -19.877 3.911 -5.474 414 1HG PRO 49 1HG PRO 49 -19.729 6.451 -3.931 415 2HG PRO 49 2HG PRO 49 -20.388 4.878 -3.457 416 1HD PRO 49 1HD PRO 49 -17.947 5.785 -2.658 417 2HD PRO 49 2HD PRO 49 -18.342 4.061 -2.835 418 H LYS 50 H LYS 50 -17.641 7.365 -4.731 419 HA LYS 50 HA LYS 50 -17.880 8.901 -7.235 420 1HB LYS 50 1HB LYS 50 -18.530 9.648 -4.861 421 2HB LYS 50 2HB LYS 50 -16.804 9.847 -4.560 422 1HG LYS 50 1HG LYS 50 -17.501 11.993 -5.262 423 2HG LYS 50 2HG LYS 50 -16.797 11.282 -6.714 424 1HD LYS 50 1HD LYS 50 -18.878 10.916 -7.709 425 2HD LYS 50 2HD LYS 50 -19.728 10.921 -6.164 426 1HE LYS 50 1HE LYS 50 -20.310 13.033 -6.993 427 2HE LYS 50 2HE LYS 50 -18.845 13.437 -6.075 428 1HZ LYS 50 1HZ LYS 50 -18.702 14.282 -8.342 429 2HZ LYS 50 2HZ LYS 50 -18.940 12.717 -8.959 430 3HZ LYS 50 3HZ LYS 50 -17.534 13.080 -8.077 431 H MET 51 H MET 51 -15.243 7.739 -5.119 432 HA MET 51 HA MET 51 -13.168 9.099 -6.716 433 1HB MET 51 1HB MET 51 -13.005 8.747 -4.261 434 2HB MET 51 2HB MET 51 -12.990 7.005 -4.530 435 1HG MET 51 1HG MET 51 -10.723 7.475 -4.404 436 2HG MET 51 2HG MET 51 -10.996 7.549 -6.139 437 1HE MET 51 1HE MET 51 -9.228 8.524 -6.701 438 2HE MET 51 2HE MET 51 -8.568 10.110 -6.312 439 3HE MET 51 3HE MET 51 -9.894 9.975 -7.463 440 H ALA 52 H ALA 52 -14.648 5.846 -6.570 441 HA ALA 52 HA ALA 52 -12.656 4.328 -7.921 442 1HB ALA 52 1HB ALA 52 -14.910 3.212 -8.885 443 2HB ALA 52 2HB ALA 52 -15.633 4.233 -7.642 444 3HB ALA 52 3HB ALA 52 -14.429 3.023 -7.199 445 H ALA 53 H ALA 53 -15.149 6.518 -9.286 446 HA ALA 53 HA ALA 53 -14.684 5.867 -12.060 447 1HB ALA 53 1HB ALA 53 -16.650 7.118 -11.277 448 2HB ALA 53 2HB ALA 53 -15.771 8.085 -12.461 449 3HB ALA 53 3HB ALA 53 -15.618 8.443 -10.741 450 H SER 54 H SER 54 -13.099 8.240 -9.877 451 HA SER 54 HA SER 54 -11.507 9.491 -11.965 452 1HB SER 54 1HB SER 54 -11.062 9.256 -8.966 453 2HB SER 54 2HB SER 54 -10.197 10.365 -10.026 454 HG SER 54 HG SER 54 -11.933 11.446 -9.129 455 H LEU 55 H LEU 55 -10.887 6.740 -9.742 456 HA LEU 55 HA LEU 55 -8.121 6.390 -10.637 457 1HB LEU 55 1HB LEU 55 -10.107 4.790 -9.027 458 2HB LEU 55 2HB LEU 55 -8.558 4.081 -9.485 459 HG LEU 55 HG LEU 55 -8.474 6.824 -8.336 460 1HD1 LEU 55 1HD1 LEU 55 -9.044 6.273 -6.179 461 2HD1 LEU 55 2HD1 LEU 55 -8.565 4.586 -6.372 462 3HD1 LEU 55 3HD1 LEU 55 -10.108 5.145 -7.019 463 1HD2 LEU 55 1HD2 LEU 55 -6.850 4.291 -7.929 464 2HD2 LEU 55 2HD2 LEU 55 -6.442 5.881 -7.284 465 3HD2 LEU 55 3HD2 LEU 55 -6.440 5.610 -9.026 466 H LEU 56 H LEU 56 -11.271 5.145 -11.760 467 HA LEU 56 HA LEU 56 -9.955 3.167 -13.537 468 1HB LEU 56 1HB LEU 56 -12.087 2.711 -12.300 469 2HB LEU 56 2HB LEU 56 -12.872 3.976 -13.236 470 HG LEU 56 HG LEU 56 -13.224 1.567 -14.035 471 1HD1 LEU 56 1HD1 LEU 56 -12.084 2.827 -16.404 472 2HD1 LEU 56 2HD1 LEU 56 -13.011 3.971 -15.435 473 3HD1 LEU 56 3HD1 LEU 56 -13.768 2.487 -16.011 474 1HD2 LEU 56 1HD2 LEU 56 -10.632 1.151 -13.754 475 2HD2 LEU 56 2HD2 LEU 56 -10.553 1.811 -15.387 476 3HD2 LEU 56 3HD2 LEU 56 -11.513 0.368 -15.065 477 H ASN 57 H ASN 57 -11.285 6.457 -13.778 478 HA ASN 57 HA ASN 57 -11.950 6.654 -16.498 479 1HB ASN 57 1HB ASN 57 -11.629 8.421 -14.438 480 2HB ASN 57 2HB ASN 57 -10.251 8.853 -15.450 481 1HD2 ASN 57 1HD2 ASN 57 -13.698 7.892 -16.147 482 2HD2 ASN 57 2HD2 ASN 57 -13.974 9.191 -17.204 483 HA PRO 58 HA PRO 58 -8.159 5.854 -18.640 484 1HB PRO 58 1HB PRO 58 -8.733 6.991 -21.054 485 2HB PRO 58 2HB PRO 58 -9.427 5.448 -20.518 486 1HG PRO 58 1HG PRO 58 -10.647 8.149 -20.586 487 2HG PRO 58 2HG PRO 58 -11.385 6.568 -20.868 488 1HD PRO 58 1HD PRO 58 -11.617 8.016 -18.536 489 2HD PRO 58 2HD PRO 58 -11.853 6.262 -18.666 490 H TYR 59 H TYR 59 -9.098 9.029 -17.713 491 HA TYR 59 HA TYR 59 -6.868 10.387 -19.103 492 1HB TYR 59 1HB TYR 59 -9.085 11.252 -17.224 493 2HB TYR 59 2HB TYR 59 -7.867 12.368 -17.850 494 HD1 TYR 59 HD1 TYR 59 -7.971 13.191 -20.087 495 HD2 TYR 59 HD2 TYR 59 -10.589 10.016 -18.842 496 HE1 TYR 59 HE1 TYR 59 -9.251 13.413 -22.200 497 HE2 TYR 59 HE2 TYR 59 -11.861 10.237 -20.953 498 HH TYR 59 HH TYR 59 -12.189 12.385 -22.685 499 H VAL 60 H VAL 60 -7.404 8.802 -16.014 500 HA VAL 60 HA VAL 60 -5.250 10.360 -14.688 501 HB VAL 60 HB VAL 60 -5.865 9.033 -12.712 502 1HG1 VAL 60 1HG1 VAL 60 -7.310 10.986 -13.667 503 2HG1 VAL 60 2HG1 VAL 60 -7.969 9.995 -12.367 504 3HG1 VAL 60 3HG1 VAL 60 -8.479 9.717 -14.032 505 1HG2 VAL 60 1HG2 VAL 60 -8.154 7.632 -13.887 506 2HG2 VAL 60 2HG2 VAL 60 -6.888 7.013 -12.829 507 3HG2 VAL 60 3HG2 VAL 60 -6.626 7.082 -14.569 508 H LYS 61 H LYS 61 -3.946 9.325 -16.730 509 HA LYS 61 HA LYS 61 -3.109 6.645 -16.854 510 1HB LYS 61 1HB LYS 61 -1.888 9.293 -17.461 511 2HB LYS 61 2HB LYS 61 -0.784 7.919 -17.407 512 1HG LYS 61 1HG LYS 61 -2.438 6.709 -18.935 513 2HG LYS 61 2HG LYS 61 -3.219 8.274 -19.165 514 1HD LYS 61 1HD LYS 61 -0.774 9.091 -19.699 515 2HD LYS 61 2HD LYS 61 -0.484 7.381 -20.022 516 1HE LYS 61 1HE LYS 61 -1.193 8.084 -22.131 517 2HE LYS 61 2HE LYS 61 -2.756 7.639 -21.418 518 1HZ LYS 61 1HZ LYS 61 -2.751 9.911 -22.348 519 2HZ LYS 61 2HZ LYS 61 -1.532 10.342 -21.245 520 3HZ LYS 61 3HZ LYS 61 -3.070 9.888 -20.683 521 H ARG 62 H ARG 62 -0.825 5.795 -16.144 522 HA ARG 62 HA ARG 62 -0.716 5.775 -13.243 523 1HB ARG 62 1HB ARG 62 0.011 3.907 -14.731 524 2HB ARG 62 2HB ARG 62 1.366 4.894 -15.276 525 1HG ARG 62 1HG ARG 62 2.346 4.918 -13.091 526 2HG ARG 62 2HG ARG 62 0.891 4.239 -12.361 527 1HD ARG 62 1HD ARG 62 2.590 2.476 -12.609 528 2HD ARG 62 2HD ARG 62 1.245 2.153 -13.721 529 HE ARG 62 HE ARG 62 3.715 3.598 -14.615 530 1HH1 ARG 62 1HH1 ARG 62 3.669 0.597 -14.894 531 2HH1 ARG 62 2HH1 ARG 62 3.081 0.401 -16.512 532 1HH2 ARG 62 1HH2 ARG 62 1.887 3.649 -16.751 533 2HH2 ARG 62 2HH2 ARG 62 2.071 2.129 -17.563 534 H SER 63 H SER 63 1.510 7.239 -15.692 535 HA SER 63 HA SER 63 3.343 8.406 -13.837 536 1HB SER 63 1HB SER 63 3.293 8.264 -16.478 537 2HB SER 63 2HB SER 63 2.530 9.847 -16.353 538 HG SER 63 HG SER 63 4.959 9.658 -16.456 539 H VAL 64 H VAL 64 0.436 9.953 -15.334 540 HA VAL 64 HA VAL 64 0.652 12.399 -13.803 541 HB VAL 64 HB VAL 64 -1.792 11.025 -14.994 542 1HG1 VAL 64 1HG1 VAL 64 -2.785 13.271 -15.011 543 2HG1 VAL 64 2HG1 VAL 64 -1.328 13.937 -14.275 544 3HG1 VAL 64 3HG1 VAL 64 -2.343 12.817 -13.365 545 1HG2 VAL 64 1HG2 VAL 64 -1.176 11.839 -17.037 546 2HG2 VAL 64 2HG2 VAL 64 0.443 11.867 -16.338 547 3HG2 VAL 64 3HG2 VAL 64 -0.534 13.335 -16.357 548 H LYS 65 H LYS 65 -1.112 9.325 -13.193 549 HA LYS 65 HA LYS 65 -2.430 10.162 -10.774 550 1HB LYS 65 1HB LYS 65 -2.859 8.064 -12.131 551 2HB LYS 65 2HB LYS 65 -1.384 7.388 -11.439 552 1HG LYS 65 1HG LYS 65 -3.116 6.590 -10.031 553 2HG LYS 65 2HG LYS 65 -2.420 7.947 -9.146 554 1HD LYS 65 1HD LYS 65 -4.268 9.290 -10.556 555 2HD LYS 65 2HD LYS 65 -5.071 7.720 -10.486 556 1HE LYS 65 1HE LYS 65 -5.379 7.828 -8.200 557 2HE LYS 65 2HE LYS 65 -3.890 8.761 -7.943 558 1HZ LYS 65 1HZ LYS 65 -6.352 9.780 -9.262 559 2HZ LYS 65 2HZ LYS 65 -4.924 10.663 -9.000 560 3HZ LYS 65 3HZ LYS 65 -5.866 10.155 -7.681 561 H VAL 66 H VAL 66 0.868 8.847 -11.339 562 HA VAL 66 HA VAL 66 1.560 8.417 -8.582 563 HB VAL 66 HB VAL 66 3.312 9.281 -10.918 564 1HG1 VAL 66 1HG1 VAL 66 3.926 8.123 -8.196 565 2HG1 VAL 66 2HG1 VAL 66 4.604 9.568 -8.947 566 3HG1 VAL 66 3HG1 VAL 66 5.053 7.970 -9.544 567 1HG2 VAL 66 1HG2 VAL 66 1.819 6.889 -10.490 568 2HG2 VAL 66 2HG2 VAL 66 3.513 6.488 -10.214 569 3HG2 VAL 66 3HG2 VAL 66 3.015 7.202 -11.746 570 H LYS 67 H LYS 67 1.790 11.372 -10.625 571 HA LYS 67 HA LYS 67 3.057 12.975 -8.541 572 1HB LYS 67 1HB LYS 67 2.739 13.308 -11.177 573 2HB LYS 67 2HB LYS 67 1.306 14.194 -10.654 574 1HG LYS 67 1HG LYS 67 2.839 15.460 -9.051 575 2HG LYS 67 2HG LYS 67 4.190 14.745 -9.931 576 1HD LYS 67 1HD LYS 67 2.030 16.086 -11.508 577 2HD LYS 67 2HD LYS 67 3.190 17.101 -10.651 578 1HE LYS 67 1HE LYS 67 4.455 16.817 -12.546 579 2HE LYS 67 2HE LYS 67 4.853 15.247 -11.820 580 1HZ LYS 67 1HZ LYS 67 2.650 15.844 -13.719 581 2HZ LYS 67 2HZ LYS 67 2.774 14.384 -12.859 582 3HZ LYS 67 3HZ LYS 67 3.977 14.821 -13.976 583 H SER 68 H SER 68 -0.347 12.523 -9.604 584 HA SER 68 HA SER 68 -1.476 14.401 -7.701 585 1HB SER 68 1HB SER 68 -2.543 13.302 -9.792 586 2HB SER 68 2HB SER 68 -2.843 11.910 -8.754 587 HG SER 68 HG SER 68 -4.617 13.293 -8.696 588 H LEU 69 H LEU 69 -0.730 10.890 -7.529 589 HA LEU 69 HA LEU 69 -2.000 10.373 -5.002 590 1HB LEU 69 1HB LEU 69 -0.708 8.859 -6.834 591 2HB LEU 69 2HB LEU 69 0.583 9.015 -5.642 592 HG LEU 69 HG LEU 69 -1.012 8.243 -3.879 593 1HD1 LEU 69 1HD1 LEU 69 -2.818 8.093 -6.286 594 2HD1 LEU 69 2HD1 LEU 69 -3.155 8.769 -4.693 595 3HD1 LEU 69 3HD1 LEU 69 -3.074 7.020 -4.909 596 1HD2 LEU 69 1HD2 LEU 69 0.510 6.663 -5.056 597 2HD2 LEU 69 2HD2 LEU 69 -0.755 6.363 -6.248 598 3HD2 LEU 69 3HD2 LEU 69 -0.997 5.889 -4.566 599 H SER 70 H SER 70 1.297 11.595 -5.779 600 HA SER 70 HA SER 70 2.306 11.571 -3.079 601 1HB SER 70 1HB SER 70 2.913 13.186 -5.562 602 2HB SER 70 2HB SER 70 3.761 13.509 -4.053 603 HG SER 70 HG SER 70 3.728 11.169 -5.632 604 H ASP 71 H ASP 71 0.678 14.207 -4.934 605 HA ASP 71 HA ASP 71 0.621 16.036 -2.664 606 1HB ASP 71 1HB ASP 71 -1.000 15.877 -5.231 607 2HB ASP 71 2HB ASP 71 -1.071 17.238 -4.111 608 H MET 72 H MET 72 -1.513 13.389 -3.706 609 HA MET 72 HA MET 72 -3.728 14.219 -1.950 610 1HB MET 72 1HB MET 72 -3.865 12.805 -4.101 611 2HB MET 72 2HB MET 72 -3.214 11.475 -3.142 612 1HG MET 72 1HG MET 72 -5.135 12.056 -1.475 613 2HG MET 72 2HG MET 72 -5.853 12.893 -2.850 614 1HE MET 72 1HE MET 72 -3.953 8.998 -2.870 615 2HE MET 72 2HE MET 72 -5.278 8.683 -1.751 616 3HE MET 72 3HE MET 72 -4.195 10.044 -1.464 617 H THR 73 H THR 73 -0.989 11.909 -1.848 618 HA THR 73 HA THR 73 -1.644 10.607 0.609 619 HB THR 73 HB THR 73 0.658 10.886 -1.177 620 HG1 THR 73 HG1 THR 73 -0.381 8.975 -0.953 621 1HG2 THR 73 1HG2 THR 73 1.967 11.857 0.523 622 2HG2 THR 73 2HG2 THR 73 2.338 10.134 0.611 623 3HG2 THR 73 3HG2 THR 73 1.233 10.859 1.779 624 H ALA 74 H ALA 74 0.005 13.751 0.021 625 HA ALA 74 HA ALA 74 0.807 14.334 2.698 626 1HB ALA 74 1HB ALA 74 -0.403 16.432 0.896 627 2HB ALA 74 2HB ALA 74 1.104 15.639 0.436 628 3HB ALA 74 3HB ALA 74 1.014 16.559 1.937 629 H LYS 75 H LYS 75 -2.431 14.633 1.180 630 HA LYS 75 HA LYS 75 -3.512 15.601 3.798 631 1HB LYS 75 1HB LYS 75 -4.516 15.550 0.943 632 2HB LYS 75 2HB LYS 75 -5.582 15.936 2.294 633 1HG LYS 75 1HG LYS 75 -4.560 17.953 2.706 634 2HG LYS 75 2HG LYS 75 -2.976 17.373 2.189 635 1HD LYS 75 1HD LYS 75 -3.868 17.348 -0.183 636 2HD LYS 75 2HD LYS 75 -5.300 18.182 0.424 637 1HE LYS 75 1HE LYS 75 -2.641 19.332 1.168 638 2HE LYS 75 2HE LYS 75 -3.199 19.559 -0.502 639 1HZ LYS 75 1HZ LYS 75 -4.716 20.199 1.972 640 2HZ LYS 75 2HZ LYS 75 -5.356 20.286 0.400 641 3HZ LYS 75 3HZ LYS 75 -4.085 21.315 0.862 642 H GLU 76 H GLU 76 -2.673 12.707 3.285 643 HA GLU 76 HA GLU 76 -5.341 11.470 3.833 644 1HB GLU 76 1HB GLU 76 -3.121 10.657 1.958 645 2HB GLU 76 2HB GLU 76 -4.292 9.480 2.551 646 1HG GLU 76 1HG GLU 76 -5.111 12.080 1.240 647 2HG GLU 76 2HG GLU 76 -4.886 10.584 0.334 648 H LYS 77 H LYS 77 -2.850 12.321 5.579 649 HA LYS 77 HA LYS 77 -1.766 11.462 7.463 650 1HB LYS 77 1HB LYS 77 -4.225 10.688 7.691 651 2HB LYS 77 2HB LYS 77 -3.625 9.098 7.217 652 1HG LYS 77 1HG LYS 77 -3.447 8.989 9.541 653 2HG LYS 77 2HG LYS 77 -1.829 9.526 9.086 654 1HD LYS 77 1HD LYS 77 -2.306 11.106 10.703 655 2HD LYS 77 2HD LYS 77 -2.970 11.930 9.291 656 1HE LYS 77 1HE LYS 77 -4.755 12.065 10.822 657 2HE LYS 77 2HE LYS 77 -5.168 10.595 9.918 658 1HZ LYS 77 1HZ LYS 77 -5.227 10.070 12.236 659 2HZ LYS 77 2HZ LYS 77 -3.694 10.756 12.492 660 3HZ LYS 77 3HZ LYS 77 -3.849 9.333 11.577 661 H PHE 78 H PHE 78 -0.723 10.625 4.728 662 HA PHE 78 HA PHE 78 0.402 7.938 5.461 663 1HB PHE 78 1HB PHE 78 0.276 9.466 2.840 664 2HB PHE 78 2HB PHE 78 1.036 7.891 3.035 665 HD1 PHE 78 HD1 PHE 78 -1.358 8.773 1.247 666 HD2 PHE 78 HD2 PHE 78 -1.124 6.798 5.065 667 HE1 PHE 78 HE1 PHE 78 -3.540 7.697 0.825 668 HE2 PHE 78 HE2 PHE 78 -3.307 5.751 4.634 669 HZ PHE 78 HZ PHE 78 -4.522 6.178 2.517 670 H SER 79 H SER 79 2.668 7.734 5.746 671 HA SER 79 HA SER 79 4.606 9.613 4.790 672 1HB SER 79 1HB SER 79 3.940 11.335 6.155 673 2HB SER 79 2HB SER 79 3.222 10.252 7.342 674 HG SER 79 HG SER 79 5.931 10.970 6.972 675 HA PRO 80 HA PRO 80 6.858 7.132 8.136 676 1HB PRO 80 1HB PRO 80 5.434 5.539 9.862 677 2HB PRO 80 2HB PRO 80 5.893 7.218 10.207 678 1HG PRO 80 1HG PRO 80 3.283 6.123 9.298 679 2HG PRO 80 2HG PRO 80 3.629 7.448 10.413 680 1HD PRO 80 1HD PRO 80 2.859 7.829 7.830 681 2HD PRO 80 2HD PRO 80 3.844 8.986 8.741 682 H LEU 81 H LEU 81 4.018 4.892 7.771 683 HA LEU 81 HA LEU 81 5.917 3.134 6.272 684 1HB LEU 81 1HB LEU 81 3.719 2.663 8.262 685 2HB LEU 81 2HB LEU 81 4.116 1.394 7.089 686 HG LEU 81 HG LEU 81 6.433 2.699 8.427 687 1HD1 LEU 81 1HD1 LEU 81 6.101 1.923 10.547 688 2HD1 LEU 81 2HD1 LEU 81 5.174 0.525 10.004 689 3HD1 LEU 81 3HD1 LEU 81 4.403 2.108 10.107 690 1HD2 LEU 81 1HD2 LEU 81 7.057 0.938 7.033 691 2HD2 LEU 81 2HD2 LEU 81 5.628 -0.017 7.425 692 3HD2 LEU 81 3HD2 LEU 81 6.948 0.115 8.589 693 H THR 82 H THR 82 3.665 5.318 5.412 694 HA THR 82 HA THR 82 2.459 3.490 3.387 695 HB THR 82 HB THR 82 1.152 6.083 3.927 696 HG1 THR 82 HG1 THR 82 1.444 5.760 6.026 697 1HG2 THR 82 1HG2 THR 82 0.501 3.674 2.735 698 2HG2 THR 82 2HG2 THR 82 -0.654 4.913 3.220 699 3HG2 THR 82 3HG2 THR 82 -0.307 3.563 4.299 700 H SER 83 H SER 83 4.952 5.704 3.552 701 HA SER 83 HA SER 83 4.208 6.911 0.915 702 1HB SER 83 1HB SER 83 4.715 8.651 2.470 703 2HB SER 83 2HB SER 83 6.025 7.727 3.201 704 HG SER 83 HG SER 83 6.755 9.397 1.780 705 H ASN 84 H ASN 84 4.947 4.254 1.032 706 HA ASN 84 HA ASN 84 7.420 4.226 -0.610 707 1HB ASN 84 1HB ASN 84 7.018 2.960 2.098 708 2HB ASN 84 2HB ASN 84 8.012 2.119 0.908 709 1HD2 ASN 84 1HD2 ASN 84 7.826 5.055 2.930 710 2HD2 ASN 84 2HD2 ASN 84 9.431 5.537 2.657 711 H LEU 85 H LEU 85 5.124 2.042 1.116 712 HA LEU 85 HA LEU 85 4.810 0.148 -1.020 713 1HB LEU 85 1HB LEU 85 4.096 -0.257 1.315 714 2HB LEU 85 2HB LEU 85 2.892 1.023 1.186 715 HG LEU 85 HG LEU 85 1.805 -0.249 -0.675 716 1HD1 LEU 85 1HD1 LEU 85 3.859 -2.340 0.110 717 2HD1 LEU 85 2HD1 LEU 85 3.734 -1.525 -1.449 718 3HD1 LEU 85 3HD1 LEU 85 2.472 -2.645 -0.937 719 1HD2 LEU 85 1HD2 LEU 85 2.141 -1.446 2.070 720 2HD2 LEU 85 2HD2 LEU 85 1.108 -2.234 0.876 721 3HD2 LEU 85 3HD2 LEU 85 0.753 -0.587 1.401 722 H ILE 86 H ILE 86 3.418 3.429 -0.497 723 HA ILE 86 HA ILE 86 1.215 3.119 -2.336 724 HB ILE 86 HB ILE 86 2.794 5.490 -1.299 725 1HG1 ILE 86 1HG1 ILE 86 -0.048 4.482 -0.922 726 2HG1 ILE 86 2HG1 ILE 86 1.262 4.353 0.248 727 1HG2 ILE 86 1HG2 ILE 86 0.378 5.597 -3.147 728 2HG2 ILE 86 2HG2 ILE 86 2.019 6.056 -3.601 729 3HG2 ILE 86 3HG2 ILE 86 1.150 6.985 -2.380 730 1HD1 ILE 86 1HD1 ILE 86 1.370 6.971 -0.005 731 2HD1 ILE 86 2HD1 ILE 86 0.128 6.249 1.017 732 3HD1 ILE 86 3HD1 ILE 86 -0.276 6.789 -0.613 733 H ASN 87 H ASN 87 4.659 4.032 -2.809 734 HA ASN 87 HA ASN 87 4.551 4.792 -5.557 735 1HB ASN 87 1HB ASN 87 6.544 4.866 -3.986 736 2HB ASN 87 2HB ASN 87 6.723 3.127 -4.232 737 1HD2 ASN 87 1HD2 ASN 87 7.889 6.066 -5.382 738 2HD2 ASN 87 2HD2 ASN 87 8.340 5.573 -6.942 739 H LEU 88 H LEU 88 5.180 1.489 -4.220 740 HA LEU 88 HA LEU 88 5.210 0.057 -6.680 741 1HB LEU 88 1HB LEU 88 4.418 -0.603 -3.845 742 2HB LEU 88 2HB LEU 88 4.208 -1.813 -5.112 743 HG LEU 88 HG LEU 88 6.834 -0.424 -5.068 744 1HD1 LEU 88 1HD1 LEU 88 5.892 -2.294 -2.885 745 2HD1 LEU 88 2HD1 LEU 88 6.654 -0.713 -2.706 746 3HD1 LEU 88 3HD1 LEU 88 7.599 -2.088 -3.278 747 1HD2 LEU 88 1HD2 LEU 88 5.809 -3.245 -5.471 748 2HD2 LEU 88 2HD2 LEU 88 7.531 -2.866 -5.411 749 3HD2 LEU 88 3HD2 LEU 88 6.517 -2.168 -6.675 750 H LEU 89 H LEU 89 2.409 0.997 -4.629 751 HA LEU 89 HA LEU 89 0.367 -0.341 -6.138 752 1HB LEU 89 1HB LEU 89 0.509 2.054 -4.326 753 2HB LEU 89 2HB LEU 89 -0.982 1.775 -5.227 754 HG LEU 89 HG LEU 89 0.370 -0.316 -3.500 755 1HD1 LEU 89 1HD1 LEU 89 -0.924 0.317 -1.712 756 2HD1 LEU 89 2HD1 LEU 89 -2.237 0.903 -2.734 757 3HD1 LEU 89 3HD1 LEU 89 -0.800 1.894 -2.490 758 1HD2 LEU 89 1HD2 LEU 89 -2.206 -0.160 -5.065 759 2HD2 LEU 89 2HD2 LEU 89 -2.019 -1.288 -3.722 760 3HD2 LEU 89 3HD2 LEU 89 -0.959 -1.406 -5.127 761 H ALA 90 H ALA 90 1.905 2.872 -6.604 762 HA ALA 90 HA ALA 90 0.396 3.133 -9.180 763 1HB ALA 90 1HB ALA 90 2.048 5.359 -8.112 764 2HB ALA 90 2HB ALA 90 0.678 4.880 -7.110 765 3HB ALA 90 3HB ALA 90 0.415 5.394 -8.776 766 H GLU 91 H GLU 91 2.876 1.382 -8.731 767 HA GLU 91 HA GLU 91 4.883 2.881 -10.377 768 1HB GLU 91 1HB GLU 91 5.622 1.814 -8.267 769 2HB GLU 91 2HB GLU 91 5.042 0.254 -8.851 770 1HG GLU 91 1HG GLU 91 6.637 0.334 -10.712 771 2HG GLU 91 2HG GLU 91 7.187 1.928 -10.193 772 H ASN 92 H ASN 92 3.218 -0.338 -10.287 773 HA ASN 92 HA ASN 92 3.728 -0.525 -13.242 774 1HB ASN 92 1HB ASN 92 3.666 -2.496 -10.968 775 2HB ASN 92 2HB ASN 92 3.378 -3.048 -12.618 776 1HD2 ASN 92 1HD2 ASN 92 5.824 -3.364 -10.685 777 2HD2 ASN 92 2HD2 ASN 92 7.134 -2.875 -11.646 778 H GLY 93 H GLY 93 1.332 0.792 -11.901 779 1HA GLY 93 1HA GLY 93 -0.951 0.876 -12.457 780 2HA GLY 93 2HA GLY 93 -0.724 -0.569 -13.448 781 H ARG 94 H ARG 94 -0.247 0.099 -9.928 782 HA ARG 94 HA ARG 94 -1.784 -2.415 -9.413 783 1HB ARG 94 1HB ARG 94 0.528 -1.005 -8.185 784 2HB ARG 94 2HB ARG 94 -0.554 -1.844 -7.072 785 1HG ARG 94 1HG ARG 94 0.232 -3.324 -9.530 786 2HG ARG 94 2HG ARG 94 1.488 -3.087 -8.316 787 1HD ARG 94 1HD ARG 94 0.585 -4.956 -7.347 788 2HD ARG 94 2HD ARG 94 -0.670 -3.844 -6.765 789 HE ARG 94 HE ARG 94 -2.139 -4.729 -8.398 790 1HH1 ARG 94 1HH2 ARG 94 -0.011 -7.057 -8.206 791 2HH1 ARG 94 2HH2 ARG 94 0.128 -7.444 -9.888 792 1HH2 ARG 94 1HH1 ARG 94 -1.471 -4.557 -10.954 793 2HH2 ARG 94 2HH1 ARG 94 -0.699 -6.028 -11.445 794 H LEU 95 H LEU 95 -3.045 0.362 -9.851 795 HA LEU 95 HA LEU 95 -4.209 0.747 -7.112 796 1HB LEU 95 1HB LEU 95 -3.180 2.519 -9.035 797 2HB LEU 95 2HB LEU 95 -4.928 2.707 -9.165 798 HG LEU 95 HG LEU 95 -5.042 3.034 -6.694 799 1HD1 LEU 95 1HD1 LEU 95 -3.140 1.923 -5.842 800 2HD1 LEU 95 2HD1 LEU 95 -2.738 3.631 -5.653 801 3HD1 LEU 95 3HD1 LEU 95 -2.058 2.706 -6.993 802 1HD2 LEU 95 1HD2 LEU 95 -3.006 5.013 -7.617 803 2HD2 LEU 95 2HD2 LEU 95 -4.577 5.287 -6.863 804 3HD2 LEU 95 3HD2 LEU 95 -4.481 4.866 -8.573 805 H THR 96 H THR 96 -4.967 -1.438 -9.061 806 HA THR 96 HA THR 96 -7.814 -0.667 -9.596 807 HB THR 96 HB THR 96 -6.323 -3.083 -10.657 808 HG1 THR 96 HG1 THR 96 -5.583 -1.859 -12.314 809 1HG2 THR 96 1HG2 THR 96 -7.974 -2.333 -12.619 810 2HG2 THR 96 2HG2 THR 96 -8.841 -1.605 -11.265 811 3HG2 THR 96 3HG2 THR 96 -8.525 -3.340 -11.280 812 H ASN 97 H ASN 97 -5.761 -3.462 -8.564 813 HA ASN 97 HA ASN 97 -8.012 -4.396 -6.832 814 1HB ASN 97 1HB ASN 97 -5.465 -5.723 -7.839 815 2HB ASN 97 2HB ASN 97 -6.684 -6.517 -6.838 816 1HD2 ASN 97 1HD2 ASN 97 -6.059 -5.214 -10.106 817 2HD2 ASN 97 2HD2 ASN 97 -7.424 -5.925 -10.822 818 H THR 98 H THR 98 -6.323 -2.049 -6.075 819 HA THR 98 HA THR 98 -4.232 -2.885 -4.298 820 HB THR 98 HB THR 98 -4.514 -0.610 -5.300 821 HG1 THR 98 HG1 THR 98 -4.310 -0.688 -2.456 822 1HG2 THR 98 1HG2 THR 98 -5.995 0.990 -4.070 823 2HG2 THR 98 2HG2 THR 98 -6.689 -0.382 -3.206 824 3HG2 THR 98 3HG2 THR 98 -6.883 -0.252 -4.954 825 HA PRO 99 HA PRO 99 -7.527 -2.537 -0.784 826 1HB PRO 99 1HB PRO 99 -9.978 -3.624 -1.372 827 2HB PRO 99 2HB PRO 99 -9.633 -1.886 -1.475 828 1HG PRO 99 1HG PRO 99 -9.685 -3.932 -3.644 829 2HG PRO 99 2HG PRO 99 -10.340 -2.286 -3.634 830 1HD PRO 99 1HD PRO 99 -8.037 -2.866 -4.836 831 2HD PRO 99 2HD PRO 99 -8.283 -1.321 -4.014 832 H ALA 100 H ALA 100 -7.791 -5.156 -3.238 833 HA ALA 100 HA ALA 100 -8.105 -7.357 -1.412 834 1HB ALA 100 1HB ALA 100 -6.423 -7.604 -3.892 835 2HB ALA 100 2HB ALA 100 -8.120 -7.160 -4.066 836 3HB ALA 100 3HB ALA 100 -7.683 -8.683 -3.292 837 H VAL 101 H VAL 101 -5.161 -5.658 -2.574 838 HA VAL 101 HA VAL 101 -3.257 -7.455 -1.327 839 HB VAL 101 HB VAL 101 -3.029 -4.487 -1.969 840 1HG1 VAL 101 1HG1 VAL 101 -0.793 -4.628 -1.537 841 2HG1 VAL 101 2HG1 VAL 101 -0.676 -6.279 -2.147 842 3HG1 VAL 101 3HG1 VAL 101 -1.270 -5.982 -0.513 843 1HG2 VAL 101 1HG2 VAL 101 -3.410 -5.304 -4.076 844 2HG2 VAL 101 2HG2 VAL 101 -2.989 -6.955 -3.622 845 3HG2 VAL 101 3HG2 VAL 101 -1.717 -5.784 -3.965 846 H ILE 102 H ILE 102 -4.919 -4.484 -0.171 847 HA ILE 102 HA ILE 102 -3.484 -4.263 2.324 848 HB ILE 102 HB ILE 102 -6.313 -3.434 1.560 849 1HG1 ILE 102 1HG1 ILE 102 -4.027 -1.527 1.791 850 2HG1 ILE 102 2HG1 ILE 102 -4.049 -2.587 0.382 851 1HG2 ILE 102 1HG2 ILE 102 -6.428 -3.104 3.831 852 2HG2 ILE 102 2HG2 ILE 102 -5.542 -1.635 3.425 853 3HG2 ILE 102 3HG2 ILE 102 -4.676 -3.052 4.018 854 1HD1 ILE 102 1HD1 ILE 102 -5.832 -1.520 -0.543 855 2HD1 ILE 102 2HD1 ILE 102 -5.392 -0.203 0.543 856 3HD1 ILE 102 3HD1 ILE 102 -6.654 -1.345 1.007 857 H SER 103 H SER 103 -6.409 -6.149 1.417 858 HA SER 103 HA SER 103 -7.209 -6.971 4.038 859 1HB SER 103 1HB SER 103 -7.372 -8.206 1.289 860 2HB SER 103 2HB SER 103 -7.956 -9.099 2.689 861 HG SER 103 HG SER 103 -9.590 -7.813 1.713 862 H ALA 104 H ALA 104 -4.744 -8.389 1.841 863 HA ALA 104 HA ALA 104 -4.064 -10.671 3.440 864 1HB ALA 104 1HB ALA 104 -3.274 -10.240 1.115 865 2HB ALA 104 2HB ALA 104 -1.930 -10.599 2.198 866 3HB ALA 104 3HB ALA 104 -2.254 -8.933 1.718 867 H PHE 105 H PHE 105 -3.036 -7.249 3.712 868 HA PHE 105 HA PHE 105 -0.886 -7.536 5.562 869 1HB PHE 105 1HB PHE 105 -1.755 -5.439 4.378 870 2HB PHE 105 2HB PHE 105 -3.004 -5.361 5.618 871 HD1 PHE 105 HD1 PHE 105 0.246 -4.318 4.746 872 HD2 PHE 105 HD2 PHE 105 -2.091 -5.536 8.130 873 HE1 PHE 105 HE1 PHE 105 1.825 -3.165 6.257 874 HE2 PHE 105 HE2 PHE 105 -0.513 -4.385 9.633 875 HZ PHE 105 HZ PHE 105 1.448 -3.212 8.701 876 H SER 106 H SER 106 -4.422 -7.267 6.200 877 HA SER 106 HA SER 106 -4.198 -7.329 9.079 878 1HB SER 106 1HB SER 106 -6.223 -6.749 7.575 879 2HB SER 106 2HB SER 106 -6.497 -8.486 7.479 880 HG SER 106 HG SER 106 -6.820 -8.547 9.658 881 H THR 107 H THR 107 -4.559 -9.969 6.668 882 HA THR 107 HA THR 107 -4.703 -12.072 8.686 883 HB THR 107 HB THR 107 -3.614 -12.682 5.981 884 HG1 THR 107 HG1 THR 107 -5.436 -12.076 4.937 885 1HG2 THR 107 1HG2 THR 107 -4.328 -14.579 7.126 886 2HG2 THR 107 2HG2 THR 107 -5.762 -14.193 6.176 887 3HG2 THR 107 3HG2 THR 107 -5.684 -13.739 7.878 888 H MET 108 H MET 108 -2.010 -10.579 6.831 889 HA MET 108 HA MET 108 -0.002 -12.456 7.781 890 1HB MET 108 1HB MET 108 0.173 -9.604 6.748 891 2HB MET 108 2HB MET 108 1.569 -10.643 7.027 892 1HG MET 108 1HG MET 108 -0.736 -11.350 5.189 893 2HG MET 108 2HG MET 108 0.786 -10.651 4.640 894 1HE MET 108 1HE MET 108 2.315 -13.173 3.342 895 2HE MET 108 2HE MET 108 0.896 -12.157 3.106 896 3HE MET 108 3HE MET 108 0.709 -13.905 3.219 897 H MET 109 H MET 109 -1.268 -9.332 9.027 898 HA MET 109 HA MET 109 0.680 -8.915 11.101 899 1HB MET 109 1HB MET 109 -1.090 -7.287 10.389 900 2HB MET 109 2HB MET 109 -2.311 -8.318 11.136 901 1HG MET 109 1HG MET 109 -1.128 -8.077 13.319 902 2HG MET 109 2HG MET 109 -0.000 -6.958 12.552 903 1HE MET 109 1HE MET 109 -1.140 -6.435 14.906 904 2HE MET 109 2HE MET 109 -2.892 -6.327 15.056 905 3HE MET 109 3HE MET 109 -1.937 -4.856 14.892 906 H SER 110 H SER 110 -2.373 -10.867 11.120 907 HA SER 110 HA SER 110 -2.279 -11.629 13.882 908 1HB SER 110 1HB SER 110 -3.727 -13.448 13.219 909 2HB SER 110 2HB SER 110 -4.109 -12.086 12.172 910 HG SER 110 HG SER 110 -3.839 -14.004 10.975 911 H VAL 111 H VAL 111 -0.401 -12.886 11.114 912 HA VAL 111 HA VAL 111 0.697 -15.132 12.660 913 HB VAL 111 HB VAL 111 1.613 -13.835 10.064 914 1HG1 VAL 111 1HG1 VAL 111 2.526 -16.235 9.736 915 2HG1 VAL 111 2HG1 VAL 111 2.340 -16.400 11.482 916 3HG1 VAL 111 3HG1 VAL 111 3.416 -15.168 10.823 917 1HG2 VAL 111 1HG2 VAL 111 0.188 -15.303 8.924 918 2HG2 VAL 111 2HG2 VAL 111 -0.792 -14.867 10.323 919 3HG2 VAL 111 3HG2 VAL 111 0.068 -16.407 10.294 920 H HIS 112 H HIS 112 1.440 -11.713 12.589 921 HA HIS 112 HA HIS 112 4.259 -12.094 13.257 922 1HB HIS 112 1HB HIS 112 4.381 -9.859 12.789 923 2HB HIS 112 2HB HIS 112 2.775 -10.086 12.118 924 HD1 HIS 112 HD1 HIS 112 0.813 -9.792 14.198 925 HD2 HIS 112 HD2 HIS 112 4.415 -7.802 14.490 926 HE1 HIS 112 HE1 HIS 112 0.454 -7.953 15.881 927 H ARG 113 H ARG 113 1.176 -11.902 15.016 928 HA ARG 113 HA ARG 113 2.263 -11.144 17.590 929 1HB ARG 113 1HB ARG 113 -0.218 -11.454 16.640 930 2HB ARG 113 2HB ARG 113 -0.038 -13.055 17.362 931 1HG ARG 113 1HG ARG 113 -0.784 -11.968 19.235 932 2HG ARG 113 2HG ARG 113 0.921 -11.542 19.385 933 1HD ARG 113 1HD ARG 113 0.272 -9.501 17.854 934 2HD ARG 113 2HD ARG 113 -1.371 -9.841 18.434 935 HE ARG 113 HE ARG 113 -0.452 -9.660 20.765 936 1HH1 ARG 113 1HH1 ARG 113 -0.280 -6.959 19.450 937 2HH1 ARG 113 2HH1 ARG 113 1.349 -6.492 19.809 938 1HH2 ARG 113 1HH2 ARG 113 2.364 -9.697 20.656 939 2HH2 ARG 113 2HH2 ARG 113 2.846 -8.042 20.492 940 H GLY 114 H GLY 114 1.986 -14.301 15.901 941 1HA GLY 114 1HA GLY 114 4.015 -15.757 16.692 942 2HA GLY 114 2HA GLY 114 3.227 -15.626 18.268 943 H GLU 115 H GLU 115 2.361 -16.488 14.862 944 HA GLU 115 HA GLU 115 0.938 -18.188 14.055 945 1HB GLU 115 1HB GLU 115 2.683 -19.414 15.540 946 2HB GLU 115 2HB GLU 115 1.383 -19.533 16.727 947 1HG GLU 115 1HG GLU 115 -0.051 -20.575 14.929 948 2HG GLU 115 2HG GLU 115 1.383 -20.628 13.903 949 H VAL 116 H VAL 116 -0.324 -15.933 15.403 950 HA VAL 116 HA VAL 116 -2.684 -17.292 16.669 951 HB VAL 116 HB VAL 116 -1.416 -14.570 17.164 952 1HG1 VAL 116 1HG1 VAL 116 -3.853 -14.460 17.433 953 2HG1 VAL 116 2HG1 VAL 116 -3.073 -14.405 19.014 954 3HG1 VAL 116 3HG1 VAL 116 -3.824 -15.899 18.454 955 1HG2 VAL 116 1HG2 VAL 116 -0.377 -15.491 18.979 956 2HG2 VAL 116 2HG2 VAL 116 -0.569 -16.996 18.082 957 3HG2 VAL 116 3HG2 VAL 116 -1.730 -16.565 19.336 958 HA PRO 117 HA PRO 117 -4.299 -15.329 12.883 959 1HB PRO 117 1HB PRO 117 -6.619 -16.782 12.778 960 2HB PRO 117 2HB PRO 117 -5.070 -17.380 12.152 961 1HG PRO 117 1HG PRO 117 -6.441 -18.004 14.717 962 2HG PRO 117 2HG PRO 117 -5.519 -19.065 13.641 963 1HD PRO 117 1HD PRO 117 -4.514 -18.029 15.953 964 2HD PRO 117 2HD PRO 117 -3.509 -18.465 14.554 965 H CYS 118 H CYS 118 -6.342 -16.116 15.764 966 HA CYS 118 HA CYS 118 -7.101 -13.314 16.089 967 1HB CYS 118 1HB CYS 118 -8.399 -14.520 14.074 968 2HB CYS 118 2HB CYS 118 -9.426 -15.058 15.402 969 HG CYS 118 HG CYS 118 -10.270 -12.701 14.533 970 H THR 119 H THR 119 -8.575 -16.572 16.697 971 HA THR 119 HA THR 119 -8.069 -16.386 19.570 972 HB THR 119 HB THR 119 -9.853 -14.721 19.307 973 HG1 THR 119 HG1 THR 119 -11.125 -15.536 20.870 974 1HG2 THR 119 1HG2 THR 119 -12.152 -16.060 18.656 975 2HG2 THR 119 2HG2 THR 119 -10.984 -16.835 17.586 976 3HG2 THR 119 3HG2 THR 119 -11.213 -15.087 17.524 977 H VAL 120 H VAL 120 -9.372 -18.244 20.750 978 HA VAL 120 HA VAL 120 -10.043 -20.473 18.875 979 HB VAL 120 HB VAL 120 -8.068 -20.566 21.185 980 1HG1 VAL 120 1HG1 VAL 120 -9.233 -22.668 19.362 981 2HG1 VAL 120 2HG1 VAL 120 -9.062 -22.703 21.117 982 3HG1 VAL 120 3HG1 VAL 120 -7.640 -22.886 20.089 983 1HG2 VAL 120 1HG2 VAL 120 -6.479 -21.160 19.273 984 2HG2 VAL 120 2HG2 VAL 120 -7.020 -19.482 19.319 985 3HG2 VAL 120 3HG2 VAL 120 -7.744 -20.611 18.174 986 1H GLN 1 1H GLN 1 13.507 1.537 -21.884 987 2H GLN 1 2H GLN 1 13.342 0.279 -20.755 988 3H GLN 1 3H GLN 1 11.968 1.104 -21.319 989 HA GLN 1 HA GLN 1 12.513 0.264 -23.610 990 1HB GLN 1 1HB GLN 1 14.905 -0.203 -22.421 991 2HB GLN 1 2HB GLN 1 14.183 -1.807 -22.279 992 1HG GLN 1 1HG GLN 1 15.243 -1.885 -24.378 993 2HG GLN 1 2HG GLN 1 13.570 -1.508 -24.788 994 1HE2 GLN 1 1HE2 GLN 1 13.420 0.192 -26.296 995 2HE2 GLN 1 2HE2 GLN 1 14.522 1.479 -26.406 996 H LYS 2 H LYS 2 12.663 -1.826 -20.647 997 HA LYS 2 HA LYS 2 9.983 -2.917 -21.414 998 1HB LYS 2 1HB LYS 2 10.891 -5.187 -20.926 999 2HB LYS 2 2HB LYS 2 11.744 -4.412 -22.261 1000 1HG LYS 2 1HG LYS 2 13.621 -3.880 -20.888 1001 2HG LYS 2 2HG LYS 2 12.734 -4.249 -19.409 1002 1HD LYS 2 1HD LYS 2 13.088 -6.392 -21.481 1003 2HD LYS 2 2HD LYS 2 14.420 -6.017 -20.388 1004 1HE LYS 2 1HE LYS 2 11.680 -6.413 -19.220 1005 2HE LYS 2 2HE LYS 2 12.634 -7.836 -19.685 1006 1HZ LYS 2 1HZ LYS 2 14.451 -7.093 -18.370 1007 2HZ LYS 2 2HZ LYS 2 13.072 -7.017 -17.381 1008 3HZ LYS 2 3HZ LYS 2 13.712 -5.598 -18.061 1009 H THR 3 H THR 3 9.072 -4.262 -19.462 1010 HA THR 3 HA THR 3 9.995 -3.052 -16.874 1011 HB THR 3 HB THR 3 7.522 -3.041 -16.322 1012 HG1 THR 3 HG1 THR 3 6.696 -4.455 -17.763 1013 1HG2 THR 3 1HG2 THR 3 8.158 -0.906 -16.870 1014 2HG2 THR 3 2HG2 THR 3 7.099 -1.213 -18.246 1015 3HG2 THR 3 3HG2 THR 3 8.844 -1.396 -18.418 1016 H GLY 4 H GLY 4 10.277 -4.574 -15.207 1017 1HA GLY 4 1HA GLY 4 9.042 -7.267 -15.589 1018 2HA GLY 4 2HA GLY 4 10.757 -7.128 -15.195 1019 H THR 5 H THR 5 9.261 -8.556 -13.390 1020 HA THR 5 HA THR 5 8.978 -6.640 -11.095 1021 HB THR 5 HB THR 5 7.324 -9.111 -11.710 1022 HG1 THR 5 HG1 THR 5 5.815 -7.734 -12.457 1023 1HG2 THR 5 1HG2 THR 5 7.429 -8.657 -9.330 1024 2HG2 THR 5 2HG2 THR 5 5.849 -8.146 -9.925 1025 3HG2 THR 5 3HG2 THR 5 7.102 -6.946 -9.604 1026 H ALA 6 H ALA 6 10.268 -7.229 -9.332 1027 HA ALA 6 HA ALA 6 11.010 -10.102 -9.008 1028 1HB ALA 6 1HB ALA 6 13.379 -8.851 -8.508 1029 2HB ALA 6 2HB ALA 6 12.720 -7.794 -9.757 1030 3HB ALA 6 3HB ALA 6 12.947 -9.512 -10.084 1031 H GLU 7 H GLU 7 9.152 -8.787 -7.349 1032 HA GLU 7 HA GLU 7 8.730 -8.247 -5.093 1033 1HB GLU 7 1HB GLU 7 11.443 -9.588 -4.800 1034 2HB GLU 7 2HB GLU 7 10.270 -9.350 -3.506 1035 1HG GLU 7 1HG GLU 7 8.628 -10.723 -4.753 1036 2HG GLU 7 2HG GLU 7 9.828 -10.992 -6.017 1037 H VAL 8 H VAL 8 9.693 -6.076 -6.567 1038 HA VAL 8 HA VAL 8 12.056 -4.801 -5.566 1039 HB VAL 8 HB VAL 8 9.428 -3.586 -6.507 1040 1HG1 VAL 8 1HG1 VAL 8 11.339 -1.805 -7.226 1041 2HG1 VAL 8 2HG1 VAL 8 12.054 -2.424 -5.737 1042 3HG1 VAL 8 3HG1 VAL 8 10.449 -1.695 -5.707 1043 1HG2 VAL 8 1HG2 VAL 8 11.800 -3.619 -8.274 1044 2HG2 VAL 8 2HG2 VAL 8 10.116 -3.982 -8.646 1045 3HG2 VAL 8 3HG2 VAL 8 11.141 -5.214 -7.912 1046 H SER 9 H SER 9 8.699 -4.786 -4.281 1047 HA SER 9 HA SER 9 9.088 -2.865 -2.189 1048 1HB SER 9 1HB SER 9 6.949 -4.112 -3.021 1049 2HB SER 9 2HB SER 9 7.413 -5.362 -1.869 1050 HG SER 9 HG SER 9 6.093 -3.926 -0.808 1051 H SER 10 H SER 10 9.939 -6.345 -2.342 1052 HA SER 10 HA SER 10 10.592 -6.637 0.467 1053 1HB SER 10 1HB SER 10 11.214 -8.078 -2.095 1054 2HB SER 10 2HB SER 10 12.152 -8.489 -0.661 1055 HG SER 10 HG SER 10 10.397 -9.782 -0.563 1056 H ILE 11 H ILE 11 12.775 -6.151 -2.381 1057 HA ILE 11 HA ILE 11 15.143 -5.712 -0.811 1058 HB ILE 11 HB ILE 11 15.107 -6.174 -3.260 1059 1HG1 ILE 11 1HG1 ILE 11 16.421 -3.493 -2.815 1060 2HG1 ILE 11 2HG1 ILE 11 17.015 -4.951 -2.020 1061 1HG2 ILE 11 1HG2 ILE 11 14.007 -3.354 -3.397 1062 2HG2 ILE 11 2HG2 ILE 11 13.252 -4.829 -3.997 1063 3HG2 ILE 11 3HG2 ILE 11 14.696 -4.198 -4.782 1064 1HD1 ILE 11 1HD1 ILE 11 17.790 -5.869 -3.973 1065 2HD1 ILE 11 2HD1 ILE 11 17.881 -4.174 -4.454 1066 3HD1 ILE 11 3HD1 ILE 11 16.500 -5.156 -4.942 1067 H LEU 12 H LEU 12 12.537 -3.458 -1.783 1068 HA LEU 12 HA LEU 12 13.862 -1.012 -1.044 1069 1HB LEU 12 1HB LEU 12 11.712 -1.216 -2.325 1070 2HB LEU 12 2HB LEU 12 10.909 -1.713 -0.835 1071 HG LEU 12 HG LEU 12 11.815 0.473 0.179 1072 1HD1 LEU 12 1HD1 LEU 12 11.947 2.181 -1.877 1073 2HD1 LEU 12 2HD1 LEU 12 12.550 0.745 -2.703 1074 3HD1 LEU 12 3HD1 LEU 12 13.380 1.352 -1.271 1075 1HD2 LEU 12 1HD2 LEU 12 9.856 1.617 -0.456 1076 2HD2 LEU 12 2HD2 LEU 12 9.431 -0.073 -0.722 1077 3HD2 LEU 12 3HD2 LEU 12 9.884 0.947 -2.087 1078 H GLU 13 H GLU 13 12.067 -3.428 0.921 1079 HA GLU 13 HA GLU 13 11.810 -1.923 3.335 1080 1HB GLU 13 1HB GLU 13 10.854 -4.206 2.830 1081 2HB GLU 13 2HB GLU 13 12.464 -4.881 3.082 1082 1HG GLU 13 1HG GLU 13 12.235 -3.438 5.351 1083 2HG GLU 13 2HG GLU 13 10.533 -3.800 5.067 1084 H GLU 14 H GLU 14 14.608 -3.817 2.107 1085 HA GLU 14 HA GLU 14 16.254 -3.555 4.459 1086 1HB GLU 14 1HB GLU 14 16.689 -4.082 1.538 1087 2HB GLU 14 2HB GLU 14 18.100 -3.701 2.525 1088 1HG GLU 14 1HG GLU 14 17.863 -6.086 2.584 1089 2HG GLU 14 2HG GLU 14 17.298 -5.494 4.146 1090 H ARG 15 H ARG 15 15.873 -1.428 1.586 1091 HA ARG 15 HA ARG 15 17.939 0.451 2.211 1092 1HB ARG 15 1HB ARG 15 16.559 0.282 0.090 1093 2HB ARG 15 2HB ARG 15 15.241 1.068 0.960 1094 1HG ARG 15 1HG ARG 15 17.148 2.830 1.546 1095 2HG ARG 15 2HG ARG 15 17.861 2.199 0.062 1096 1HD ARG 15 1HD ARG 15 14.958 3.033 0.129 1097 2HD ARG 15 2HD ARG 15 16.245 4.219 -0.170 1098 HE ARG 15 HE ARG 15 15.955 1.730 -1.814 1099 1HH1 ARG 15 1HH2 ARG 15 14.608 4.131 -2.917 1100 2HH1 ARG 15 2HH2 ARG 15 15.840 4.835 -3.909 1101 1HH2 ARG 15 1HH1 ARG 15 18.421 3.047 -2.438 1102 2HH2 ARG 15 2HH1 ARG 15 17.999 4.222 -3.638 1103 H ILE 16 H ILE 16 14.588 0.210 3.471 1104 HA ILE 16 HA ILE 16 14.852 2.769 4.938 1105 HB ILE 16 HB ILE 16 12.730 0.592 5.051 1106 1HG1 ILE 16 1HG1 ILE 16 12.660 3.207 3.522 1107 2HG1 ILE 16 2HG1 ILE 16 13.147 1.680 2.784 1108 1HG2 ILE 16 1HG2 ILE 16 13.059 2.557 6.864 1109 2HG2 ILE 16 2HG2 ILE 16 11.465 1.995 6.360 1110 3HG2 ILE 16 3HG2 ILE 16 12.153 3.453 5.645 1111 1HD1 ILE 16 1HD1 ILE 16 10.455 2.469 3.877 1112 2HD1 ILE 16 2HD1 ILE 16 10.905 0.768 3.754 1113 3HD1 ILE 16 3HD1 ILE 16 10.850 1.773 2.306 1114 H LEU 17 H LEU 17 14.818 -0.743 5.737 1115 HA LEU 17 HA LEU 17 15.699 -0.011 8.513 1116 1HB LEU 17 1HB LEU 17 13.751 -1.853 7.369 1117 2HB LEU 17 2HB LEU 17 14.893 -2.712 8.399 1118 HG LEU 17 HG LEU 17 12.966 -1.937 9.712 1119 1HD1 LEU 17 1HD1 LEU 17 14.184 -1.091 11.521 1120 2HD1 LEU 17 2HD1 LEU 17 15.228 -0.114 10.489 1121 3HD1 LEU 17 3HD1 LEU 17 15.441 -1.863 10.555 1122 1HD2 LEU 17 1HD2 LEU 17 12.024 -0.028 8.890 1123 2HD2 LEU 17 2HD2 LEU 17 13.556 0.581 8.269 1124 3HD2 LEU 17 3HD2 LEU 17 13.158 0.776 9.975 1125 H GLY 18 H GLY 18 18.006 0.030 8.136 1126 1HA GLY 18 1HA GLY 18 19.161 -2.636 7.434 1127 2HA GLY 18 2HA GLY 18 19.822 -1.162 6.725 1128 H ALA 19 H ALA 19 20.874 0.411 8.196 1129 HA ALA 19 HA ALA 19 21.709 -0.830 10.802 1130 1HB ALA 19 1HB ALA 19 23.246 0.682 8.674 1131 2HB ALA 19 2HB ALA 19 23.521 -0.968 9.232 1132 3HB ALA 19 3HB ALA 19 23.895 0.394 10.288 1133 H ASP 20 H ASP 20 22.890 1.155 12.129 1134 HA ASP 20 HA ASP 20 21.171 3.595 11.864 1135 1HB ASP 20 1HB ASP 20 21.686 1.799 14.242 1136 2HB ASP 20 2HB ASP 20 21.120 3.458 14.443 1137 H THR 21 H THR 21 23.031 4.808 11.046 1138 HA THR 21 HA THR 21 25.119 5.327 13.135 1139 HB THR 21 HB THR 21 25.755 5.284 10.197 1140 HG1 THR 21 HG1 THR 21 26.075 3.104 10.285 1141 1HG2 THR 21 1HG2 THR 21 27.951 5.047 10.917 1142 2HG2 THR 21 2HG2 THR 21 27.479 4.264 12.426 1143 3HG2 THR 21 3HG2 THR 21 27.269 6.004 12.233 1144 H SER 22 H SER 22 25.020 7.524 13.630 1145 HA SER 22 HA SER 22 24.322 9.414 11.404 1146 1HB SER 22 1HB SER 22 23.536 9.406 14.334 1147 2HB SER 22 2HB SER 22 23.194 10.732 13.227 1148 HG SER 22 HG SER 22 22.245 8.067 13.171 1149 H VAL 23 H VAL 23 25.186 11.707 11.881 1150 HA VAL 23 HA VAL 23 27.693 11.607 13.529 1151 HB VAL 23 HB VAL 23 27.250 12.818 10.774 1152 1HG1 VAL 23 1HG1 VAL 23 29.730 13.172 10.863 1153 2HG1 VAL 23 2HG1 VAL 23 29.702 12.678 12.556 1154 3HG1 VAL 23 3HG1 VAL 23 28.850 14.137 12.048 1155 1HG2 VAL 23 1HG2 VAL 23 27.440 10.501 10.419 1156 2HG2 VAL 23 2HG2 VAL 23 28.556 10.290 11.768 1157 3HG2 VAL 23 3HG2 VAL 23 29.110 11.050 10.276 1158 H ASP 24 H ASP 24 27.158 13.021 15.237 1159 HA ASP 24 HA ASP 24 25.881 15.634 14.486 1160 1HB ASP 24 1HB ASP 24 25.803 13.968 17.023 1161 2HB ASP 24 2HB ASP 24 25.049 15.554 16.854 1162 H LEU 25 H LEU 25 28.002 14.229 17.074 1163 HA LEU 25 HA LEU 25 29.546 16.805 17.023 1164 1HB LEU 25 1HB LEU 25 28.088 15.904 19.050 1165 2HB LEU 25 2HB LEU 25 29.509 14.902 19.341 1166 HG LEU 25 HG LEU 25 30.892 17.036 19.202 1167 1HD1 LEU 25 1HD1 LEU 25 29.521 19.115 19.747 1168 2HD1 LEU 25 2HD1 LEU 25 28.096 18.193 19.270 1169 3HD1 LEU 25 3HD1 LEU 25 29.370 18.517 18.094 1170 1HD2 LEU 25 1HD2 LEU 25 30.717 17.295 21.487 1171 2HD2 LEU 25 2HD2 LEU 25 29.775 15.813 21.319 1172 3HD2 LEU 25 3HD2 LEU 25 28.956 17.370 21.447 Start of MODEL 5 1 1H PHE 1 1H PHE 1 -31.053 -14.088 -5.929 2 2H PHE 1 2H PHE 1 -31.128 -15.606 -5.169 3 3H PHE 1 3H PHE 1 -32.477 -15.007 -6.012 4 HA PHE 1 HA PHE 1 -31.199 -16.750 -7.243 5 1HB PHE 1 1HB PHE 1 -31.352 -15.400 -9.332 6 2HB PHE 1 2HB PHE 1 -32.741 -15.140 -8.280 7 HD1 PHE 1 HD1 PHE 1 -29.520 -13.696 -9.433 8 HD2 PHE 1 HD2 PHE 1 -33.168 -13.001 -7.274 9 HE1 PHE 1 HE1 PHE 1 -29.029 -11.267 -9.383 10 HE2 PHE 1 HE2 PHE 1 -32.676 -10.572 -7.224 11 HZ PHE 1 HZ PHE 1 -30.606 -9.704 -8.278 12 H ALA 2 H ALA 2 -29.173 -17.317 -8.229 13 HA ALA 2 HA ALA 2 -26.948 -15.337 -8.011 14 1HB ALA 2 1HB ALA 2 -25.775 -16.638 -6.522 15 2HB ALA 2 2HB ALA 2 -26.404 -18.144 -7.191 16 3HB ALA 2 3HB ALA 2 -27.392 -17.190 -6.084 17 H LYS 3 H LYS 3 -26.487 -15.212 -10.253 18 HA LYS 3 HA LYS 3 -25.813 -17.807 -11.594 19 1HB LYS 3 1HB LYS 3 -26.887 -16.863 -13.634 20 2HB LYS 3 2HB LYS 3 -28.032 -17.017 -12.304 21 1HG LYS 3 1HG LYS 3 -27.937 -14.674 -11.824 22 2HG LYS 3 2HG LYS 3 -26.531 -14.450 -12.866 23 1HD LYS 3 1HD LYS 3 -27.782 -14.618 -14.824 24 2HD LYS 3 2HD LYS 3 -29.064 -15.546 -14.044 25 1HE LYS 3 1HE LYS 3 -30.045 -13.408 -14.304 26 2HE LYS 3 2HE LYS 3 -29.434 -13.352 -12.639 27 1HZ LYS 3 1HZ LYS 3 -27.936 -12.449 -15.043 28 2HZ LYS 3 2HZ LYS 3 -27.388 -12.373 -13.436 29 3HZ LYS 3 3HZ LYS 3 -28.703 -11.420 -13.935 30 H LEU 4 H LEU 4 -23.933 -15.971 -10.315 31 HA LEU 4 HA LEU 4 -22.552 -14.845 -12.734 32 1HB LEU 4 1HB LEU 4 -23.563 -13.505 -10.563 33 2HB LEU 4 2HB LEU 4 -21.902 -13.790 -10.045 34 HG LEU 4 HG LEU 4 -22.246 -12.852 -12.843 35 1HD1 LEU 4 1HD1 LEU 4 -23.824 -11.558 -11.094 36 2HD1 LEU 4 2HD1 LEU 4 -22.969 -10.715 -12.386 37 3HD1 LEU 4 3HD1 LEU 4 -22.307 -10.726 -10.752 38 1HD2 LEU 4 1HD2 LEU 4 -20.012 -12.899 -12.310 39 2HD2 LEU 4 2HD2 LEU 4 -20.311 -12.667 -10.588 40 3HD2 LEU 4 3HD2 LEU 4 -20.364 -11.287 -11.686 41 H VAL 5 H VAL 5 -20.160 -15.032 -12.683 42 HA VAL 5 HA VAL 5 -19.228 -17.267 -10.906 43 HB VAL 5 HB VAL 5 -18.290 -16.326 -13.643 44 1HG1 VAL 5 1HG1 VAL 5 -16.396 -17.327 -12.695 45 2HG1 VAL 5 2HG1 VAL 5 -17.177 -18.697 -13.484 46 3HG1 VAL 5 3HG1 VAL 5 -17.353 -18.464 -11.744 47 1HG2 VAL 5 1HG2 VAL 5 -19.943 -18.709 -12.750 48 2HG2 VAL 5 2HG2 VAL 5 -19.264 -18.531 -14.367 49 3HG2 VAL 5 3HG2 VAL 5 -20.473 -17.384 -13.788 50 H ARG 6 H ARG 6 -19.010 -15.079 -9.441 51 HA ARG 6 HA ARG 6 -16.210 -14.080 -9.859 52 1HB ARG 6 1HB ARG 6 -18.061 -12.456 -10.409 53 2HB ARG 6 2HB ARG 6 -18.589 -12.569 -8.730 54 1HG ARG 6 1HG ARG 6 -16.599 -11.579 -7.916 55 2HG ARG 6 2HG ARG 6 -15.745 -11.848 -9.436 56 1HD ARG 6 1HD ARG 6 -18.213 -10.174 -9.575 57 2HD ARG 6 2HD ARG 6 -16.780 -9.446 -8.822 58 HE ARG 6 HE ARG 6 -15.693 -9.517 -10.928 59 1HH1 ARG 6 1HH1 ARG 6 -18.683 -9.573 -11.870 60 2HH1 ARG 6 2HH1 ARG 6 -18.572 -10.776 -13.111 61 1HH2 ARG 6 1HH2 ARG 6 -15.457 -11.913 -12.100 62 2HH2 ARG 6 2HH2 ARG 6 -16.745 -12.101 -13.242 63 HA PRO 7 HA PRO 7 -16.939 -15.952 -5.609 64 1HB PRO 7 1HB PRO 7 -14.976 -17.856 -5.715 65 2HB PRO 7 2HB PRO 7 -16.639 -18.153 -6.259 66 1HG PRO 7 1HG PRO 7 -14.203 -17.550 -7.859 67 2HG PRO 7 2HG PRO 7 -15.536 -18.665 -8.205 68 1HD PRO 7 1HD PRO 7 -15.293 -16.201 -9.351 69 2HD PRO 7 2HD PRO 7 -16.850 -17.021 -9.100 70 HA PRO 8 HA PRO 8 -13.539 -13.561 -4.107 71 1HB PRO 8 1HB PRO 8 -13.251 -14.547 -1.572 72 2HB PRO 8 2HB PRO 8 -14.597 -13.494 -2.050 73 1HG PRO 8 1HG PRO 8 -14.537 -16.445 -1.697 74 2HG PRO 8 2HG PRO 8 -15.812 -15.285 -1.296 75 1HD PRO 8 1HD PRO 8 -15.855 -16.883 -3.511 76 2HD PRO 8 2HD PRO 8 -16.680 -15.313 -3.409 77 H VAL 9 H VAL 9 -11.210 -13.786 -3.402 78 HA VAL 9 HA VAL 9 -10.118 -16.504 -4.064 79 HB VAL 9 HB VAL 9 -8.951 -13.722 -4.424 80 1HG1 VAL 9 1HG1 VAL 9 -7.917 -16.371 -5.472 81 2HG1 VAL 9 2HG1 VAL 9 -7.307 -15.609 -4.003 82 3HG1 VAL 9 3HG1 VAL 9 -7.120 -14.800 -5.559 83 1HG2 VAL 9 1HG2 VAL 9 -9.837 -15.690 -6.548 84 2HG2 VAL 9 2HG2 VAL 9 -9.400 -13.995 -6.763 85 3HG2 VAL 9 3HG2 VAL 9 -10.894 -14.421 -5.928 86 H GLN 10 H GLN 10 -9.182 -13.509 -2.249 87 HA GLN 10 HA GLN 10 -8.134 -13.254 -0.161 88 1HB GLN 10 1HB GLN 10 -10.185 -14.935 0.191 89 2HB GLN 10 2HB GLN 10 -8.878 -16.054 0.577 90 1HG GLN 10 1HG GLN 10 -8.220 -14.863 2.449 91 2HG GLN 10 2HG GLN 10 -8.807 -13.328 1.808 92 1HE2 GLN 10 1HE2 GLN 10 -9.478 -15.381 4.288 93 2HE2 GLN 10 2HE2 GLN 10 -11.163 -15.201 4.375 94 H ILE 11 H ILE 11 -5.928 -13.340 0.207 95 HA ILE 11 HA ILE 11 -3.720 -14.137 0.281 96 HB ILE 11 HB ILE 11 -5.119 -16.820 0.360 97 1HG1 ILE 11 1HG1 ILE 11 -6.009 -15.260 2.062 98 2HG1 ILE 11 2HG1 ILE 11 -5.063 -16.543 2.816 99 1HG2 ILE 11 1HG2 ILE 11 -2.955 -17.105 1.914 100 2HG2 ILE 11 2HG2 ILE 11 -2.342 -15.860 0.823 101 3HG2 ILE 11 3HG2 ILE 11 -2.907 -17.400 0.175 102 1HD1 ILE 11 1HD1 ILE 11 -4.600 -13.656 2.808 103 2HD1 ILE 11 2HD1 ILE 11 -3.177 -14.556 2.283 104 3HD1 ILE 11 3HD1 ILE 11 -3.906 -14.896 3.852 105 H TYR 12 H TYR 12 -2.257 -14.250 -1.413 106 HA TYR 12 HA TYR 12 -2.860 -16.064 -3.712 107 1HB TYR 12 1HB TYR 12 -1.941 -13.278 -4.351 108 2HB TYR 12 2HB TYR 12 -3.015 -14.333 -5.264 109 HD1 TYR 12 HD1 TYR 12 -5.385 -14.720 -4.385 110 HD2 TYR 12 HD2 TYR 12 -2.805 -11.647 -2.858 111 HE1 TYR 12 HE1 TYR 12 -7.313 -13.631 -3.301 112 HE2 TYR 12 HE2 TYR 12 -4.749 -10.546 -1.792 113 HH TYR 12 HH TYR 12 -7.147 -11.482 -0.937 114 H GLY 13 H GLY 13 -0.474 -13.491 -2.788 115 1HA GLY 13 1HA GLY 13 1.715 -14.916 -2.071 116 2HA GLY 13 2HA GLY 13 1.713 -15.176 -3.815 117 H ILE 14 H ILE 14 2.144 -13.348 -5.216 118 HA ILE 14 HA ILE 14 4.032 -11.445 -4.248 119 HB ILE 14 HB ILE 14 3.722 -12.048 -6.642 120 1HG1 ILE 14 1HG1 ILE 14 3.975 -9.762 -7.568 121 2HG1 ILE 14 2HG1 ILE 14 3.354 -9.089 -6.062 122 1HG2 ILE 14 1HG2 ILE 14 1.867 -11.314 -7.925 123 2HG2 ILE 14 2HG2 ILE 14 1.335 -10.197 -6.669 124 3HG2 ILE 14 3HG2 ILE 14 1.145 -11.932 -6.441 125 1HD1 ILE 14 1HD1 ILE 14 5.740 -10.932 -6.051 126 2HD1 ILE 14 2HD1 ILE 14 5.256 -9.745 -4.838 127 3HD1 ILE 14 3HD1 ILE 14 5.931 -9.209 -6.377 128 H GLU 15 H GLU 15 0.472 -11.145 -4.538 129 HA GLU 15 HA GLU 15 0.444 -8.323 -3.782 130 1HB GLU 15 1HB GLU 15 -1.593 -10.542 -3.982 131 2HB GLU 15 2HB GLU 15 -2.043 -8.980 -3.296 132 1HG GLU 15 1HG GLU 15 -1.928 -7.913 -5.311 133 2HG GLU 15 2HG GLU 15 -0.525 -8.845 -5.838 134 H GLY 16 H GLY 16 0.231 -11.423 -1.973 135 1HA GLY 16 1HA GLY 16 -0.421 -10.165 0.554 136 2HA GLY 16 2HA GLY 16 0.206 -11.805 0.346 137 H ARG 17 H ARG 17 2.634 -11.230 -1.016 138 HA ARG 17 HA ARG 17 4.395 -10.575 1.162 139 1HB ARG 17 1HB ARG 17 4.959 -11.861 -0.940 140 2HB ARG 17 2HB ARG 17 4.956 -10.329 -1.816 141 1HG ARG 17 1HG ARG 17 6.798 -9.489 -0.547 142 2HG ARG 17 2HG ARG 17 6.668 -10.792 0.634 143 1HD ARG 17 1HD ARG 17 7.117 -11.544 -2.234 144 2HD ARG 17 2HD ARG 17 8.491 -10.922 -1.297 145 HE ARG 17 HE ARG 17 8.174 -12.750 0.294 146 1HH1 ARG 17 1HH1 ARG 17 7.817 -13.712 -2.747 147 2HH1 ARG 17 2HH1 ARG 17 6.657 -14.970 -2.476 148 1HH2 ARG 17 1HH2 ARG 17 5.949 -13.981 0.771 149 2HH2 ARG 17 2HH2 ARG 17 5.599 -15.122 -0.484 150 H TYR 18 H TYR 18 2.719 -8.444 -1.137 151 HA TYR 18 HA TYR 18 4.451 -6.160 -0.892 152 1HB TYR 18 1HB TYR 18 1.605 -6.688 -1.642 153 2HB TYR 18 2HB TYR 18 1.988 -5.034 -1.179 154 HD1 TYR 18 HD1 TYR 18 4.037 -7.599 -3.004 155 HD2 TYR 18 HD2 TYR 18 2.076 -3.779 -3.144 156 HE1 TYR 18 HE1 TYR 18 4.978 -7.198 -5.261 157 HE2 TYR 18 HE2 TYR 18 3.023 -3.375 -5.398 158 HH TYR 18 HH TYR 18 5.466 -4.657 -6.622 159 H ALA 19 H ALA 19 1.683 -7.257 1.122 160 HA ALA 19 HA ALA 19 1.920 -4.958 2.940 161 1HB ALA 19 1HB ALA 19 0.381 -7.549 2.873 162 2HB ALA 19 2HB ALA 19 -0.236 -5.896 2.887 163 3HB ALA 19 3HB ALA 19 0.427 -6.601 4.362 164 H THR 20 H THR 20 3.024 -8.381 2.963 165 HA THR 20 HA THR 20 4.153 -8.133 5.641 166 HB THR 20 HB THR 20 5.398 -10.305 4.507 167 HG1 THR 20 HG1 THR 20 3.872 -11.219 3.118 168 1HG2 THR 20 1HG2 THR 20 4.200 -10.548 6.527 169 2HG2 THR 20 2HG2 THR 20 3.282 -11.525 5.383 170 3HG2 THR 20 3HG2 THR 20 2.712 -9.912 5.821 171 H ALA 21 H ALA 21 5.433 -7.626 2.345 172 HA ALA 21 HA ALA 21 8.204 -7.416 3.316 173 1HB ALA 21 1HB ALA 21 8.578 -6.505 0.995 174 2HB ALA 21 2HB ALA 21 6.835 -6.561 0.737 175 3HB ALA 21 3HB ALA 21 7.736 -8.054 0.997 176 H LEU 22 H LEU 22 5.422 -5.292 3.290 177 HA LEU 22 HA LEU 22 7.149 -2.861 3.588 178 1HB LEU 22 1HB LEU 22 4.958 -3.106 2.156 179 2HB LEU 22 2HB LEU 22 4.127 -3.002 3.705 180 HG LEU 22 HG LEU 22 4.292 -0.791 2.630 181 1HD1 LEU 22 1HD1 LEU 22 6.217 -0.714 4.931 182 2HD1 LEU 22 2HD1 LEU 22 4.545 -1.214 5.191 183 3HD1 LEU 22 3HD1 LEU 22 4.896 0.391 4.548 184 1HD2 LEU 22 1HD2 LEU 22 6.672 -1.571 1.660 185 2HD2 LEU 22 2HD2 LEU 22 7.237 -0.684 3.075 186 3HD2 LEU 22 3HD2 LEU 22 6.255 0.131 1.858 187 H TYR 23 H TYR 23 4.720 -4.821 5.360 188 HA TYR 23 HA TYR 23 5.171 -3.207 7.767 189 1HB TYR 23 1HB TYR 23 3.105 -3.960 8.249 190 2HB TYR 23 2HB TYR 23 3.104 -4.777 6.697 191 HD1 TYR 23 HD1 TYR 23 4.244 -5.250 10.218 192 HD2 TYR 23 HD2 TYR 23 2.830 -7.059 6.604 193 HE1 TYR 23 HE1 TYR 23 4.139 -7.424 11.363 194 HE2 TYR 23 HE2 TYR 23 2.754 -9.240 7.712 195 HH TYR 23 HH TYR 23 4.291 -10.041 10.347 196 H SER 24 H SER 24 6.750 -5.979 6.310 197 HA SER 24 HA SER 24 7.552 -7.487 8.593 198 1HB SER 24 1HB SER 24 8.336 -8.366 6.577 199 2HB SER 24 2HB SER 24 8.780 -6.784 5.943 200 HG SER 24 HG SER 24 10.641 -6.855 7.039 201 H ALA 25 H ALA 25 8.790 -4.361 7.352 202 HA ALA 25 HA ALA 25 10.791 -4.105 9.500 203 1HB ALA 25 1HB ALA 25 9.788 -1.695 8.073 204 2HB ALA 25 2HB ALA 25 10.450 -2.957 7.034 205 3HB ALA 25 3HB ALA 25 11.446 -2.247 8.303 206 H ALA 26 H ALA 26 7.452 -2.944 8.794 207 HA ALA 26 HA ALA 26 7.159 -1.208 11.067 208 1HB ALA 26 1HB ALA 26 5.603 -1.591 9.035 209 2HB ALA 26 2HB ALA 26 4.817 -1.353 10.595 210 3HB ALA 26 3HB ALA 26 4.973 -2.977 9.927 211 H SER 27 H SER 27 6.749 -4.770 10.750 212 HA SER 27 HA SER 27 5.570 -5.290 13.301 213 1HB SER 27 1HB SER 27 6.207 -7.538 12.903 214 2HB SER 27 2HB SER 27 6.116 -6.855 11.283 215 HG SER 27 HG SER 27 8.354 -7.545 12.829 216 H LYS 28 H LYS 28 9.027 -4.900 12.390 217 HA LYS 28 HA LYS 28 10.118 -5.492 15.002 218 1HB LYS 28 1HB LYS 28 11.252 -5.168 12.649 219 2HB LYS 28 2HB LYS 28 11.325 -3.469 13.116 220 1HG LYS 28 1HG LYS 28 12.838 -3.854 14.813 221 2HG LYS 28 2HG LYS 28 12.245 -5.488 15.113 222 1HD LYS 28 1HD LYS 28 13.283 -6.256 13.009 223 2HD LYS 28 2HD LYS 28 13.883 -4.623 12.712 224 1HE LYS 28 1HE LYS 28 15.735 -5.701 13.724 225 2HE LYS 28 2HE LYS 28 14.970 -4.865 15.092 226 1HZ LYS 28 1HZ LYS 28 13.615 -6.913 15.420 227 2HZ LYS 28 2HZ LYS 28 15.272 -7.126 15.726 228 3HZ LYS 28 3HZ LYS 28 14.592 -7.695 14.277 229 H GLN 29 H GLN 29 8.903 -2.448 13.523 230 HA GLN 29 HA GLN 29 9.508 -0.960 16.025 231 1HB GLN 29 1HB GLN 29 8.344 -0.157 13.344 232 2HB GLN 29 2HB GLN 29 8.674 0.972 14.657 233 1HG GLN 29 1HG GLN 29 11.074 -0.061 14.610 234 2HG GLN 29 2HG GLN 29 10.621 -0.607 12.996 235 1HE2 GLN 29 1HE2 GLN 29 10.430 1.012 11.298 236 2HE2 GLN 29 2HE2 GLN 29 10.836 2.639 11.561 237 H ASN 30 H ASN 30 6.928 -2.942 15.062 238 HA ASN 30 HA ASN 30 4.792 -3.236 15.959 239 1HB ASN 30 1HB ASN 30 6.220 -2.178 17.987 240 2HB ASN 30 2HB ASN 30 5.077 -0.858 17.744 241 1HD2 ASN 30 1HD2 ASN 30 5.373 -3.298 19.818 242 2HD2 ASN 30 2HD2 ASN 30 3.769 -3.845 19.924 243 H LYS 31 H LYS 31 5.151 -1.690 13.580 244 HA LYS 31 HA LYS 31 3.218 0.563 13.937 245 1HB LYS 31 1HB LYS 31 5.445 -0.110 12.087 246 2HB LYS 31 2HB LYS 31 4.087 0.781 11.397 247 1HG LYS 31 1HG LYS 31 5.285 2.576 12.183 248 2HG LYS 31 2HG LYS 31 4.392 2.197 13.657 249 1HD LYS 31 1HD LYS 31 6.351 0.636 14.242 250 2HD LYS 31 2HD LYS 31 7.238 1.463 12.959 251 1HE LYS 31 1HE LYS 31 5.841 3.045 15.123 252 2HE LYS 31 2HE LYS 31 7.481 2.412 15.365 253 1HZ LYS 31 1HZ LYS 31 8.156 3.444 13.290 254 2HZ LYS 31 2HZ LYS 31 7.535 4.616 14.352 255 3HZ LYS 31 3HZ LYS 31 6.592 4.057 13.054 256 H LEU 32 H LEU 32 2.850 -2.693 13.302 257 HA LEU 32 HA LEU 32 1.465 -2.978 10.864 258 1HB LEU 32 1HB LEU 32 1.247 -4.190 13.596 259 2HB LEU 32 2HB LEU 32 0.005 -4.587 12.405 260 HG LEU 32 HG LEU 32 2.704 -4.655 11.272 261 1HD1 LEU 32 1HD1 LEU 32 3.813 -5.976 12.681 262 2HD1 LEU 32 2HD1 LEU 32 2.440 -7.071 12.850 263 3HD1 LEU 32 3HD1 LEU 32 2.563 -5.645 13.880 264 1HD2 LEU 32 1HD2 LEU 32 1.498 -7.178 11.091 265 2HD2 LEU 32 2HD2 LEU 32 1.439 -5.897 9.883 266 3HD2 LEU 32 3HD2 LEU 32 0.147 -6.045 11.078 267 H GLU 33 H GLU 33 0.321 -1.401 13.871 268 HA GLU 33 HA GLU 33 -2.442 -1.087 12.938 269 1HB GLU 33 1HB GLU 33 -0.747 0.298 15.052 270 2HB GLU 33 2HB GLU 33 -2.453 0.671 14.800 271 1HG GLU 33 1HG GLU 33 -2.743 -1.944 14.998 272 2HG GLU 33 2HG GLU 33 -1.199 -1.846 15.847 273 H GLN 34 H GLN 34 0.521 0.951 12.911 274 HA GLN 34 HA GLN 34 -0.674 3.250 11.609 275 1HB GLN 34 1HB GLN 34 2.182 2.230 11.617 276 2HB GLN 34 2HB GLN 34 1.685 3.858 11.155 277 1HG GLN 34 1HG GLN 34 0.495 3.425 13.670 278 2HG GLN 34 2HG GLN 34 2.121 2.757 13.813 279 1HE2 GLN 34 1HE2 GLN 34 0.830 5.653 12.026 280 2HE2 GLN 34 2HE2 GLN 34 1.941 6.733 12.720 281 H VAL 35 H VAL 35 0.530 0.159 10.340 282 HA VAL 35 HA VAL 35 0.353 1.250 7.569 283 HB VAL 35 HB VAL 35 1.224 -1.558 8.261 284 1HG1 VAL 35 1HG1 VAL 35 2.174 0.490 6.237 285 2HG1 VAL 35 2HG1 VAL 35 1.060 -0.839 5.910 286 3HG1 VAL 35 3HG1 VAL 35 2.732 -1.179 6.354 287 1HG2 VAL 35 1HG2 VAL 35 2.790 -0.727 9.722 288 2HG2 VAL 35 2HG2 VAL 35 2.579 0.928 9.149 289 3HG2 VAL 35 3HG2 VAL 35 3.618 -0.184 8.261 290 H GLU 36 H GLU 36 -1.160 -1.234 9.668 291 HA GLU 36 HA GLU 36 -2.762 -2.397 7.523 292 1HB GLU 36 1HB GLU 36 -2.096 -3.370 9.841 293 2HB GLU 36 2HB GLU 36 -3.464 -2.453 10.459 294 1HG GLU 36 1HG GLU 36 -4.936 -3.580 8.801 295 2HG GLU 36 2HG GLU 36 -3.560 -4.548 8.270 296 H LYS 37 H LYS 37 -3.276 0.311 9.806 297 HA LYS 37 HA LYS 37 -6.141 0.483 9.103 298 1HB LYS 37 1HB LYS 37 -4.730 1.120 11.321 299 2HB LYS 37 2HB LYS 37 -4.753 2.697 10.534 300 1HG LYS 37 1HG LYS 37 -7.160 2.701 10.436 301 2HG LYS 37 2HG LYS 37 -7.237 1.021 10.971 302 1HD LYS 37 1HD LYS 37 -5.820 2.054 13.016 303 2HD LYS 37 2HD LYS 37 -6.733 3.491 12.551 304 1HE LYS 37 1HE LYS 37 -8.145 2.403 14.127 305 2HE LYS 37 2HE LYS 37 -8.804 1.895 12.559 306 1HZ LYS 37 1HZ LYS 37 -7.354 -0.059 12.648 307 2HZ LYS 37 2HZ LYS 37 -8.433 -0.029 13.961 308 3HZ LYS 37 3HZ LYS 37 -6.807 0.407 14.184 309 H GLU 38 H GLU 38 -3.128 2.251 8.231 310 HA GLU 38 HA GLU 38 -4.631 4.325 6.793 311 1HB GLU 38 1HB GLU 38 -1.760 3.487 7.078 312 2HB GLU 38 2HB GLU 38 -2.208 4.593 5.783 313 1HG GLU 38 1HG GLU 38 -1.643 5.980 7.646 314 2HG GLU 38 2HG GLU 38 -3.403 5.990 7.543 315 H LEU 39 H LEU 39 -3.050 1.227 5.904 316 HA LEU 39 HA LEU 39 -3.269 1.419 3.061 317 1HB LEU 39 1HB LEU 39 -3.196 -0.774 5.095 318 2HB LEU 39 2HB LEU 39 -3.717 -1.211 3.468 319 HG LEU 39 HG LEU 39 -1.199 0.381 3.980 320 1HD1 LEU 39 1HD1 LEU 39 -1.688 -2.587 4.038 321 2HD1 LEU 39 2HD1 LEU 39 -0.662 -1.609 5.088 322 3HD1 LEU 39 3HD1 LEU 39 -0.150 -1.965 3.438 323 1HD2 LEU 39 1HD2 LEU 39 -1.681 -1.453 1.662 324 2HD2 LEU 39 2HD2 LEU 39 -0.758 0.048 1.728 325 3HD2 LEU 39 3HD2 LEU 39 -2.520 0.098 1.685 326 H LEU 40 H LEU 40 -5.754 0.563 5.518 327 HA LEU 40 HA LEU 40 -7.796 -0.376 3.745 328 1HB LEU 40 1HB LEU 40 -7.620 -0.146 6.388 329 2HB LEU 40 2HB LEU 40 -8.453 1.380 6.101 330 HG LEU 40 HG LEU 40 -10.070 -0.411 6.565 331 1HD1 LEU 40 1HD1 LEU 40 -10.303 0.096 3.612 332 2HD1 LEU 40 2HD1 LEU 40 -10.411 1.442 4.745 333 3HD1 LEU 40 3HD1 LEU 40 -11.564 0.111 4.845 334 1HD2 LEU 40 1HD2 LEU 40 -10.080 -2.456 5.509 335 2HD2 LEU 40 2HD2 LEU 40 -8.361 -2.096 5.351 336 3HD2 LEU 40 3HD2 LEU 40 -9.452 -1.796 3.999 337 H ARG 41 H ARG 41 -6.902 2.981 4.657 338 HA ARG 41 HA ARG 41 -9.100 4.355 3.458 339 1HB ARG 41 1HB ARG 41 -6.236 4.989 4.079 340 2HB ARG 41 2HB ARG 41 -7.132 6.125 3.070 341 1HG ARG 41 1HG ARG 41 -8.930 6.169 4.819 342 2HG ARG 41 2HG ARG 41 -7.896 5.173 5.845 343 1HD ARG 41 1HD ARG 41 -6.190 6.899 5.917 344 2HD ARG 41 2HD ARG 41 -7.068 7.873 4.722 345 HE ARG 41 HE ARG 41 -8.789 8.294 6.381 346 1HH1 ARG 41 1HH1 ARG 41 -8.831 5.816 7.938 347 2HH1 ARG 41 2HH1 ARG 41 -8.019 6.250 9.406 348 1HH2 ARG 41 1HH2 ARG 41 -6.575 9.108 8.075 349 2HH2 ARG 41 2HH2 ARG 41 -6.742 8.113 9.483 350 H VAL 42 H VAL 42 -6.075 3.130 1.953 351 HA VAL 42 HA VAL 42 -6.410 4.325 -0.631 352 HB VAL 42 HB VAL 42 -5.220 1.630 0.142 353 1HG1 VAL 42 1HG1 VAL 42 -3.843 2.016 -1.949 354 2HG1 VAL 42 2HG1 VAL 42 -4.947 3.329 -2.355 355 3HG1 VAL 42 3HG1 VAL 42 -5.546 1.673 -2.249 356 1HG2 VAL 42 1HG2 VAL 42 -3.977 3.202 1.345 357 2HG2 VAL 42 2HG2 VAL 42 -4.210 4.461 0.133 358 3HG2 VAL 42 3HG2 VAL 42 -3.083 3.141 -0.173 359 H GLY 43 H GLY 43 -7.818 1.311 0.723 360 1HA GLY 43 1HA GLY 43 -8.993 0.380 -1.717 361 2HA GLY 43 2HA GLY 43 -9.533 -0.059 -0.095 362 H GLN 44 H GLN 44 -10.363 2.365 0.969 363 HA GLN 44 HA GLN 44 -12.968 2.746 -0.156 364 1HB GLN 44 1HB GLN 44 -11.199 4.421 1.645 365 2HB GLN 44 2HB GLN 44 -12.826 4.946 1.210 366 1HG GLN 44 1HG GLN 44 -13.623 2.647 2.007 367 2HG GLN 44 2HG GLN 44 -12.021 2.453 2.719 368 1HE2 GLN 44 1HE2 GLN 44 -15.116 4.125 3.065 369 2HE2 GLN 44 2HE2 GLN 44 -14.729 4.911 4.518 370 H ILE 45 H ILE 45 -9.913 4.533 -0.750 371 HA ILE 45 HA ILE 45 -11.017 6.652 -2.351 372 HB ILE 45 HB ILE 45 -8.313 5.240 -2.413 373 1HG1 ILE 45 1HG1 ILE 45 -8.811 7.968 -1.277 374 2HG1 ILE 45 2HG1 ILE 45 -9.312 6.564 -0.337 375 1HG2 ILE 45 1HG2 ILE 45 -9.039 6.717 -4.480 376 2HG2 ILE 45 2HG2 ILE 45 -7.445 6.940 -3.765 377 3HG2 ILE 45 3HG2 ILE 45 -8.749 8.057 -3.373 378 1HD1 ILE 45 1HD1 ILE 45 -6.774 7.637 -0.333 379 2HD1 ILE 45 2HD1 ILE 45 -6.613 6.311 -1.484 380 3HD1 ILE 45 3HD1 ILE 45 -7.173 5.991 0.157 381 H LEU 46 H LEU 46 -9.831 3.385 -3.295 382 HA LEU 46 HA LEU 46 -10.511 3.797 -6.122 383 1HB LEU 46 1HB LEU 46 -8.798 2.161 -4.975 384 2HB LEU 46 2HB LEU 46 -10.197 1.109 -4.786 385 HG LEU 46 HG LEU 46 -8.975 0.583 -6.853 386 1HD1 LEU 46 1HD1 LEU 46 -10.852 0.311 -8.172 387 2HD1 LEU 46 2HD1 LEU 46 -11.449 1.938 -7.841 388 3HD1 LEU 46 3HD1 LEU 46 -11.614 0.673 -6.622 389 1HD2 LEU 46 1HD2 LEU 46 -8.175 3.005 -7.144 390 2HD2 LEU 46 2HD2 LEU 46 -9.750 3.323 -7.872 391 3HD2 LEU 46 3HD2 LEU 46 -8.657 2.156 -8.612 392 H LYS 47 H LYS 47 -12.134 2.345 -3.283 393 HA LYS 47 HA LYS 47 -14.348 1.227 -4.812 394 1HB LYS 47 1HB LYS 47 -13.644 0.445 -2.544 395 2HB LYS 47 2HB LYS 47 -14.162 1.992 -1.874 396 1HG LYS 47 1HG LYS 47 -16.458 1.579 -2.566 397 2HG LYS 47 2HG LYS 47 -15.977 0.096 -3.391 398 1HD LYS 47 1HD LYS 47 -15.627 -1.060 -1.403 399 2HD LYS 47 2HD LYS 47 -15.331 0.414 -0.480 400 1HE LYS 47 1HE LYS 47 -17.508 -0.367 0.193 401 2HE LYS 47 2HE LYS 47 -17.805 0.990 -0.910 402 1HZ LYS 47 1HZ LYS 47 -18.090 -0.505 -2.724 403 2HZ LYS 47 2HZ LYS 47 -19.086 -1.057 -1.462 404 3HZ LYS 47 3HZ LYS 47 -17.614 -1.838 -1.791 405 H GLU 48 H GLU 48 -13.657 4.424 -3.363 406 HA GLU 48 HA GLU 48 -16.295 5.446 -3.246 407 1HB GLU 48 1HB GLU 48 -13.558 6.578 -3.618 408 2HB GLU 48 2HB GLU 48 -14.918 7.650 -3.958 409 1HG GLU 48 1HG GLU 48 -15.774 6.602 -1.628 410 2HG GLU 48 2HG GLU 48 -14.033 6.472 -1.371 411 HA PRO 49 HA PRO 49 -17.319 5.331 -7.591 412 1HB PRO 49 1HB PRO 49 -19.610 6.827 -7.520 413 2HB PRO 49 2HB PRO 49 -19.537 5.137 -6.982 414 1HG PRO 49 1HG PRO 49 -19.489 7.638 -5.370 415 2HG PRO 49 2HG PRO 49 -20.315 6.105 -5.049 416 1HD PRO 49 1HD PRO 49 -17.992 6.823 -3.837 417 2HD PRO 49 2HD PRO 49 -18.442 5.132 -4.154 418 H LYS 50 H LYS 50 -17.187 8.436 -5.800 419 HA LYS 50 HA LYS 50 -17.016 10.041 -8.266 420 1HB LYS 50 1HB LYS 50 -16.753 10.527 -5.301 421 2HB LYS 50 2HB LYS 50 -16.244 11.776 -6.438 422 1HG LYS 50 1HG LYS 50 -18.394 12.141 -7.215 423 2HG LYS 50 2HG LYS 50 -18.919 10.499 -6.846 424 1HD LYS 50 1HD LYS 50 -18.715 11.086 -4.392 425 2HD LYS 50 2HD LYS 50 -18.459 12.761 -4.885 426 1HE LYS 50 1HE LYS 50 -20.651 13.025 -5.613 427 2HE LYS 50 2HE LYS 50 -20.842 11.300 -5.984 428 1HZ LYS 50 1HZ LYS 50 -20.541 12.446 -3.258 429 2HZ LYS 50 2HZ LYS 50 -20.745 10.801 -3.631 430 3HZ LYS 50 3HZ LYS 50 -22.001 11.906 -3.931 431 H MET 51 H MET 51 -14.735 8.601 -5.922 432 HA MET 51 HA MET 51 -12.412 9.871 -7.253 433 1HB MET 51 1HB MET 51 -12.533 9.603 -4.798 434 2HB MET 51 2HB MET 51 -12.643 7.854 -4.996 435 1HG MET 51 1HG MET 51 -10.350 8.420 -4.494 436 2HG MET 51 2HG MET 51 -10.439 7.912 -6.179 437 1HE MET 51 1HE MET 51 -7.998 10.088 -7.235 438 2HE MET 51 2HE MET 51 -8.327 8.621 -6.317 439 3HE MET 51 3HE MET 51 -7.702 10.046 -5.492 440 H ALA 52 H ALA 52 -14.075 6.709 -7.230 441 HA ALA 52 HA ALA 52 -12.000 5.076 -8.317 442 1HB ALA 52 1HB ALA 52 -13.990 3.789 -9.300 443 2HB ALA 52 2HB ALA 52 -15.017 5.075 -8.664 444 3HB ALA 52 3HB ALA 52 -14.063 4.084 -7.562 445 H ALA 53 H ALA 53 -14.320 7.251 -9.990 446 HA ALA 53 HA ALA 53 -13.631 6.536 -12.682 447 1HB ALA 53 1HB ALA 53 -14.774 8.947 -11.306 448 2HB ALA 53 2HB ALA 53 -15.511 7.906 -12.523 449 3HB ALA 53 3HB ALA 53 -14.301 9.097 -12.999 450 H SER 54 H SER 54 -12.097 8.886 -10.437 451 HA SER 54 HA SER 54 -10.233 9.928 -12.420 452 1HB SER 54 1HB SER 54 -10.118 9.868 -9.383 453 2HB SER 54 2HB SER 54 -9.088 10.860 -10.410 454 HG SER 54 HG SER 54 -10.883 11.975 -11.100 455 H LEU 55 H LEU 55 -9.868 7.463 -9.801 456 HA LEU 55 HA LEU 55 -7.107 6.857 -10.451 457 1HB LEU 55 1HB LEU 55 -9.309 5.443 -8.942 458 2HB LEU 55 2HB LEU 55 -7.729 4.690 -9.156 459 HG LEU 55 HG LEU 55 -8.172 7.443 -7.964 460 1HD1 LEU 55 1HD1 LEU 55 -7.597 6.374 -5.820 461 2HD1 LEU 55 2HD1 LEU 55 -7.504 4.807 -6.621 462 3HD1 LEU 55 3HD1 LEU 55 -9.049 5.649 -6.509 463 1HD2 LEU 55 1HD2 LEU 55 -5.727 6.778 -7.167 464 2HD2 LEU 55 2HD2 LEU 55 -5.987 7.496 -8.757 465 3HD2 LEU 55 3HD2 LEU 55 -5.780 5.751 -8.600 466 H LEU 56 H LEU 56 -10.188 5.649 -11.789 467 HA LEU 56 HA LEU 56 -8.723 3.540 -13.306 468 1HB LEU 56 1HB LEU 56 -10.833 3.014 -12.118 469 2HB LEU 56 2HB LEU 56 -11.678 4.210 -13.101 470 HG LEU 56 HG LEU 56 -10.102 2.161 -14.574 471 1HD1 LEU 56 1HD1 LEU 56 -11.107 0.715 -12.931 472 2HD1 LEU 56 2HD1 LEU 56 -12.069 0.576 -14.402 473 3HD1 LEU 56 3HD1 LEU 56 -12.652 1.555 -13.055 474 1HD2 LEU 56 1HD2 LEU 56 -11.570 2.684 -16.257 475 2HD2 LEU 56 2HD2 LEU 56 -11.826 4.137 -15.291 476 3HD2 LEU 56 3HD2 LEU 56 -12.949 2.783 -15.163 477 H ASN 57 H ASN 57 -10.196 6.730 -13.865 478 HA ASN 57 HA ASN 57 -10.813 6.622 -16.609 479 1HB ASN 57 1HB ASN 57 -9.915 8.695 -14.688 480 2HB ASN 57 2HB ASN 57 -9.678 9.096 -16.388 481 1HD2 ASN 57 1HD2 ASN 57 -11.446 10.657 -16.526 482 2HD2 ASN 57 2HD2 ASN 57 -13.067 10.181 -16.366 483 HA PRO 58 HA PRO 58 -6.894 5.964 -18.551 484 1HB PRO 58 1HB PRO 58 -7.519 6.704 -21.101 485 2HB PRO 58 2HB PRO 58 -8.069 5.182 -20.373 486 1HG PRO 58 1HG PRO 58 -9.561 7.683 -20.874 487 2HG PRO 58 2HG PRO 58 -10.130 6.008 -20.850 488 1HD PRO 58 1HD PRO 58 -10.465 7.881 -18.810 489 2HD PRO 58 2HD PRO 58 -10.675 6.124 -18.660 490 H TYR 59 H TYR 59 -8.144 9.088 -17.977 491 HA TYR 59 HA TYR 59 -6.124 10.540 -19.577 492 1HB TYR 59 1HB TYR 59 -8.243 11.428 -17.581 493 2HB TYR 59 2HB TYR 59 -7.288 12.517 -18.592 494 HD1 TYR 59 HD1 TYR 59 -9.991 10.016 -18.539 495 HD2 TYR 59 HD2 TYR 59 -7.632 12.615 -21.022 496 HE1 TYR 59 HE1 TYR 59 -11.581 9.678 -20.406 497 HE2 TYR 59 HE2 TYR 59 -9.231 12.280 -22.888 498 HH TYR 59 HH TYR 59 -12.225 11.203 -22.571 499 H VAL 60 H VAL 60 -6.780 9.689 -16.148 500 HA VAL 60 HA VAL 60 -4.775 11.339 -14.936 501 HB VAL 60 HB VAL 60 -5.742 8.561 -14.158 502 1HG1 VAL 60 1HG1 VAL 60 -3.648 9.241 -12.996 503 2HG1 VAL 60 2HG1 VAL 60 -5.020 9.166 -11.891 504 3HG1 VAL 60 3HG1 VAL 60 -4.442 10.727 -12.473 505 1HG2 VAL 60 1HG2 VAL 60 -6.822 11.329 -13.877 506 2HG2 VAL 60 2HG2 VAL 60 -7.019 10.247 -12.499 507 3HG2 VAL 60 3HG2 VAL 60 -7.684 9.803 -14.071 508 H LYS 61 H LYS 61 -4.382 8.352 -16.836 509 HA LYS 61 HA LYS 61 -2.436 7.259 -17.560 510 1HB LYS 61 1HB LYS 61 -1.963 9.992 -17.558 511 2HB LYS 61 2HB LYS 61 -0.598 9.362 -16.635 512 1HG LYS 61 1HG LYS 61 0.165 8.043 -18.421 513 2HG LYS 61 2HG LYS 61 -1.403 8.065 -19.230 514 1HD LYS 61 1HD LYS 61 -0.054 10.690 -18.808 515 2HD LYS 61 2HD LYS 61 0.625 9.623 -20.038 516 1HE LYS 61 1HE LYS 61 -2.327 9.846 -20.114 517 2HE LYS 61 2HE LYS 61 -1.452 11.337 -20.517 518 1HZ LYS 61 1HZ LYS 61 -0.156 10.196 -22.120 519 2HZ LYS 61 2HZ LYS 61 -1.772 9.769 -22.424 520 3HZ LYS 61 3HZ LYS 61 -0.738 8.681 -21.629 521 H ARG 62 H ARG 62 0.028 6.803 -16.608 522 HA ARG 62 HA ARG 62 -0.453 5.927 -13.782 523 1HB ARG 62 1HB ARG 62 0.055 4.257 -15.591 524 2HB ARG 62 2HB ARG 62 1.624 5.033 -15.811 525 1HG ARG 62 1HG ARG 62 0.903 4.267 -13.028 526 2HG ARG 62 2HG ARG 62 1.263 2.947 -14.141 527 1HD ARG 62 1HD ARG 62 3.147 5.243 -14.239 528 2HD ARG 62 2HD ARG 62 3.199 4.257 -12.765 529 HE ARG 62 HE ARG 62 3.857 2.372 -14.084 530 1HH1 ARG 62 1HH1 ARG 62 1.984 2.653 -16.363 531 2HH1 ARG 62 2HH1 ARG 62 3.035 3.087 -17.670 532 1HH2 ARG 62 1HH2 ARG 62 5.666 3.997 -15.603 533 2HH2 ARG 62 2HH2 ARG 62 5.119 3.847 -17.239 534 H SER 63 H SER 63 2.255 7.195 -15.831 535 HA SER 63 HA SER 63 4.016 7.835 -13.663 536 1HB SER 63 1HB SER 63 4.721 7.837 -16.017 537 2HB SER 63 2HB SER 63 3.637 9.179 -16.366 538 HG SER 63 HG SER 63 5.989 9.129 -14.803 539 H VAL 64 H VAL 64 1.428 9.799 -15.197 540 HA VAL 64 HA VAL 64 1.910 12.173 -13.588 541 HB VAL 64 HB VAL 64 -0.617 11.161 -14.959 542 1HG1 VAL 64 1HG1 VAL 64 -0.961 13.765 -15.053 543 2HG1 VAL 64 2HG1 VAL 64 0.149 13.775 -13.682 544 3HG1 VAL 64 3HG1 VAL 64 -1.374 12.892 -13.577 545 1HG2 VAL 64 1HG2 VAL 64 1.745 11.710 -16.174 546 2HG2 VAL 64 2HG2 VAL 64 1.055 13.331 -16.120 547 3HG2 VAL 64 3HG2 VAL 64 0.183 12.027 -16.927 548 H LYS 65 H LYS 65 -0.247 9.323 -13.201 549 HA LYS 65 HA LYS 65 -1.624 10.196 -10.845 550 1HB LYS 65 1HB LYS 65 -2.098 8.159 -12.295 551 2HB LYS 65 2HB LYS 65 -0.755 7.358 -11.479 552 1HG LYS 65 1HG LYS 65 -1.861 7.703 -9.303 553 2HG LYS 65 2HG LYS 65 -3.206 8.507 -10.112 554 1HD LYS 65 1HD LYS 65 -2.350 5.693 -10.810 555 2HD LYS 65 2HD LYS 65 -3.550 6.035 -9.564 556 1HE LYS 65 1HE LYS 65 -5.136 6.744 -11.093 557 2HE LYS 65 2HE LYS 65 -3.916 7.339 -12.236 558 1HZ LYS 65 1HZ LYS 65 -4.929 5.255 -12.997 559 2HZ LYS 65 2HZ LYS 65 -4.395 4.478 -11.584 560 3HZ LYS 65 3HZ LYS 65 -3.268 5.075 -12.707 561 H VAL 66 H VAL 66 1.606 8.667 -11.218 562 HA VAL 66 HA VAL 66 2.085 8.072 -8.454 563 HB VAL 66 HB VAL 66 4.028 8.990 -10.615 564 1HG1 VAL 66 1HG1 VAL 66 4.458 7.561 -7.974 565 2HG1 VAL 66 2HG1 VAL 66 5.097 9.136 -8.446 566 3HG1 VAL 66 3HG1 VAL 66 5.682 7.674 -9.240 567 1HG2 VAL 66 1HG2 VAL 66 2.665 6.417 -9.980 568 2HG2 VAL 66 2HG2 VAL 66 4.367 6.320 -10.431 569 3HG2 VAL 66 3HG2 VAL 66 3.204 7.049 -11.536 570 H LYS 67 H LYS 67 2.620 11.120 -10.296 571 HA LYS 67 HA LYS 67 3.729 12.552 -8.002 572 1HB LYS 67 1HB LYS 67 3.855 13.081 -10.559 573 2HB LYS 67 2HB LYS 67 2.275 13.832 -10.328 574 1HG LYS 67 1HG LYS 67 3.530 14.979 -8.272 575 2HG LYS 67 2HG LYS 67 4.945 14.670 -9.280 576 1HD LYS 67 1HD LYS 67 4.286 16.152 -10.903 577 2HD LYS 67 2HD LYS 67 2.571 15.840 -10.639 578 1HE LYS 67 1HE LYS 67 3.187 16.995 -8.262 579 2HE LYS 67 2HE LYS 67 4.345 17.824 -9.321 580 1HZ LYS 67 1HZ LYS 67 2.095 18.869 -9.258 581 2HZ LYS 67 2HZ LYS 67 1.473 17.464 -9.983 582 3HZ LYS 67 3HZ LYS 67 2.607 18.419 -10.811 583 H SER 68 H SER 68 0.450 12.306 -9.457 584 HA SER 68 HA SER 68 -0.848 14.144 -7.652 585 1HB SER 68 1HB SER 68 -1.745 13.103 -9.818 586 2HB SER 68 2HB SER 68 -2.072 11.649 -8.879 587 HG SER 68 HG SER 68 -3.478 12.809 -7.611 588 H LEU 69 H LEU 69 -0.110 10.637 -7.378 589 HA LEU 69 HA LEU 69 -1.648 10.121 -5.002 590 1HB LEU 69 1HB LEU 69 -0.082 8.629 -6.667 591 2HB LEU 69 2HB LEU 69 0.995 8.776 -5.279 592 HG LEU 69 HG LEU 69 -0.878 7.997 -3.811 593 1HD1 LEU 69 1HD1 LEU 69 -2.243 7.915 -6.484 594 2HD1 LEU 69 2HD1 LEU 69 -2.870 8.461 -4.929 595 3HD1 LEU 69 3HD1 LEU 69 -2.693 6.735 -5.252 596 1HD2 LEU 69 1HD2 LEU 69 0.112 6.271 -6.088 597 2HD2 LEU 69 2HD2 LEU 69 -0.883 5.609 -4.790 598 3HD2 LEU 69 3HD2 LEU 69 0.689 6.318 -4.422 599 H SER 70 H SER 70 1.780 11.191 -5.374 600 HA SER 70 HA SER 70 2.372 11.329 -2.558 601 1HB SER 70 1HB SER 70 4.288 12.610 -3.250 602 2HB SER 70 2HB SER 70 3.962 11.489 -4.569 603 HG SER 70 HG SER 70 3.515 14.259 -4.398 604 H ASP 71 H ASP 71 0.974 13.766 -4.804 605 HA ASP 71 HA ASP 71 0.855 15.892 -2.828 606 1HB ASP 71 1HB ASP 71 0.554 15.782 -5.501 607 2HB ASP 71 2HB ASP 71 -1.149 15.757 -5.041 608 H MET 72 H MET 72 -1.131 13.029 -3.244 609 HA MET 72 HA MET 72 -3.443 14.234 -1.813 610 1HB MET 72 1HB MET 72 -3.581 12.486 -3.699 611 2HB MET 72 2HB MET 72 -2.943 11.324 -2.535 612 1HG MET 72 1HG MET 72 -4.860 12.082 -0.991 613 2HG MET 72 2HG MET 72 -5.558 12.831 -2.428 614 1HE MET 72 1HE MET 72 -4.628 9.724 -0.502 615 2HE MET 72 2HE MET 72 -3.481 9.530 -1.826 616 3HE MET 72 3HE MET 72 -4.800 8.377 -1.637 617 H THR 73 H THR 73 -0.892 11.761 -1.332 618 HA THR 73 HA THR 73 -1.496 11.029 1.360 619 HB THR 73 HB THR 73 0.925 11.075 -0.432 620 HG1 THR 73 HG1 THR 73 0.690 8.909 -0.236 621 1HG2 THR 73 1HG2 THR 73 1.012 10.731 2.546 622 2HG2 THR 73 2HG2 THR 73 2.150 11.555 1.479 623 3HG2 THR 73 3HG2 THR 73 2.099 9.792 1.519 624 H ALA 74 H ALA 74 0.327 13.859 0.067 625 HA ALA 74 HA ALA 74 1.343 14.856 2.559 626 1HB ALA 74 1HB ALA 74 2.158 15.896 0.603 627 2HB ALA 74 2HB ALA 74 1.076 17.123 1.263 628 3HB ALA 74 3HB ALA 74 0.541 16.102 -0.071 629 H LYS 75 H LYS 75 -1.858 15.324 0.991 630 HA LYS 75 HA LYS 75 -2.784 17.053 3.216 631 1HB LYS 75 1HB LYS 75 -4.172 15.877 0.780 632 2HB LYS 75 2HB LYS 75 -4.902 17.045 1.881 633 1HG LYS 75 1HG LYS 75 -3.271 18.720 1.313 634 2HG LYS 75 2HG LYS 75 -2.305 17.552 0.411 635 1HD LYS 75 1HD LYS 75 -3.519 18.750 -1.246 636 2HD LYS 75 2HD LYS 75 -4.378 17.220 -1.068 637 1HE LYS 75 1HE LYS 75 -5.695 18.643 0.805 638 2HE LYS 75 2HE LYS 75 -5.236 19.965 -0.287 639 1HZ LYS 75 1HZ LYS 75 -7.299 18.964 -1.026 640 2HZ LYS 75 2HZ LYS 75 -6.573 17.429 -1.074 641 3HZ LYS 75 3HZ LYS 75 -6.070 18.644 -2.150 642 H GLU 76 H GLU 76 -3.174 13.661 2.131 643 HA GLU 76 HA GLU 76 -5.334 12.996 3.941 644 1HB GLU 76 1HB GLU 76 -3.285 11.498 2.340 645 2HB GLU 76 2HB GLU 76 -4.236 10.618 3.537 646 1HG GLU 76 1HG GLU 76 -5.656 12.452 1.639 647 2HG GLU 76 2HG GLU 76 -5.122 10.874 1.056 648 H LYS 77 H LYS 77 -1.939 13.575 4.617 649 HA LYS 77 HA LYS 77 -0.690 13.301 6.581 650 1HB LYS 77 1HB LYS 77 -3.559 13.466 7.406 651 2HB LYS 77 2HB LYS 77 -2.402 12.941 8.628 652 1HG LYS 77 1HG LYS 77 -1.667 15.315 6.979 653 2HG LYS 77 2HG LYS 77 -2.920 15.532 8.201 654 1HD LYS 77 1HD LYS 77 -1.343 14.442 9.862 655 2HD LYS 77 2HD LYS 77 -0.088 14.550 8.625 656 1HE LYS 77 1HE LYS 77 0.146 16.813 8.886 657 2HE LYS 77 2HE LYS 77 -1.594 17.061 9.127 658 1HZ LYS 77 1HZ LYS 77 0.352 15.963 11.081 659 2HZ LYS 77 2HZ LYS 77 -1.332 15.902 11.300 660 3HZ LYS 77 3HZ LYS 77 -0.535 17.401 11.218 661 H PHE 78 H PHE 78 -0.835 11.000 5.009 662 HA PHE 78 HA PHE 78 -1.834 8.632 6.259 663 1HB PHE 78 1HB PHE 78 0.117 9.325 4.160 664 2HB PHE 78 2HB PHE 78 0.496 7.817 4.986 665 HD1 PHE 78 HD1 PHE 78 -1.859 6.486 5.620 666 HD2 PHE 78 HD2 PHE 78 -1.151 9.019 2.220 667 HE1 PHE 78 HE1 PHE 78 -3.704 5.364 4.397 668 HE2 PHE 78 HE2 PHE 78 -2.989 7.887 0.995 669 HZ PHE 78 HZ PHE 78 -4.268 6.061 2.088 670 H SER 79 H SER 79 0.175 6.855 6.854 671 HA SER 79 HA SER 79 1.302 8.028 9.340 672 1HB SER 79 1HB SER 79 0.061 5.534 8.541 673 2HB SER 79 2HB SER 79 1.651 5.212 9.218 674 HG SER 79 HG SER 79 -0.528 6.604 10.377 675 HA PRO 80 HA PRO 80 5.441 7.549 8.000 676 1HB PRO 80 1HB PRO 80 6.691 5.812 9.692 677 2HB PRO 80 2HB PRO 80 6.265 7.477 10.127 678 1HG PRO 80 1HG PRO 80 4.838 4.939 10.760 679 2HG PRO 80 2HG PRO 80 5.161 6.339 11.798 680 1HD PRO 80 1HD PRO 80 2.774 5.940 10.642 681 2HD PRO 80 2HD PRO 80 3.426 7.568 10.910 682 H LEU 81 H LEU 81 3.526 4.597 8.097 683 HA LEU 81 HA LEU 81 5.494 3.325 6.236 684 1HB LEU 81 1HB LEU 81 3.696 2.389 8.417 685 2HB LEU 81 2HB LEU 81 3.817 1.337 6.997 686 HG LEU 81 HG LEU 81 6.428 2.382 7.877 687 1HD1 LEU 81 1HD1 LEU 81 5.005 0.413 9.677 688 2HD1 LEU 81 2HD1 LEU 81 5.214 2.119 10.070 689 3HD1 LEU 81 3HD1 LEU 81 6.624 1.075 9.890 690 1HD2 LEU 81 1HD2 LEU 81 5.189 -0.208 7.014 691 2HD2 LEU 81 2HD2 LEU 81 6.736 -0.253 7.860 692 3HD2 LEU 81 3HD2 LEU 81 6.583 0.642 6.347 693 H THR 82 H THR 82 3.236 5.364 5.588 694 HA THR 82 HA THR 82 1.881 3.591 3.616 695 HB THR 82 HB THR 82 0.323 5.838 4.825 696 HG1 THR 82 HG1 THR 82 0.858 3.387 6.204 697 1HG2 THR 82 1HG2 THR 82 -0.081 3.367 3.331 698 2HG2 THR 82 2HG2 THR 82 -1.212 4.680 3.633 699 3HG2 THR 82 3HG2 THR 82 -1.054 3.370 4.800 700 H SER 83 H SER 83 4.129 5.818 3.490 701 HA SER 83 HA SER 83 2.787 7.304 1.266 702 1HB SER 83 1HB SER 83 3.158 8.896 3.025 703 2HB SER 83 2HB SER 83 4.734 8.212 3.411 704 HG SER 83 HG SER 83 5.123 10.015 2.207 705 H ASN 84 H ASN 84 4.174 4.794 1.140 706 HA ASN 84 HA ASN 84 6.295 5.468 -0.839 707 1HB ASN 84 1HB ASN 84 6.664 4.323 1.840 708 2HB ASN 84 2HB ASN 84 7.258 3.238 0.583 709 1HD2 ASN 84 1HD2 ASN 84 7.748 6.442 2.071 710 2HD2 ASN 84 2HD2 ASN 84 9.224 6.754 1.292 711 H LEU 85 H LEU 85 4.816 2.683 0.914 712 HA LEU 85 HA LEU 85 4.562 0.952 -1.361 713 1HB LEU 85 1HB LEU 85 4.288 0.141 0.924 714 2HB LEU 85 2HB LEU 85 2.950 1.249 1.215 715 HG LEU 85 HG LEU 85 1.628 0.068 -0.533 716 1HD1 LEU 85 1HD1 LEU 85 2.642 -2.289 -1.090 717 2HD1 LEU 85 2HD1 LEU 85 4.180 -1.513 -0.715 718 3HD1 LEU 85 3HD1 LEU 85 3.170 -0.884 -2.015 719 1HD2 LEU 85 1HD2 LEU 85 0.983 -1.689 0.875 720 2HD2 LEU 85 2HD2 LEU 85 1.817 -0.615 1.997 721 3HD2 LEU 85 3HD2 LEU 85 2.643 -2.038 1.361 722 H ILE 86 H ILE 86 2.638 3.794 -0.266 723 HA ILE 86 HA ILE 86 0.256 3.312 -1.758 724 HB ILE 86 HB ILE 86 0.605 5.156 -0.106 725 1HG1 ILE 86 1HG1 ILE 86 -0.115 6.637 -2.574 726 2HG1 ILE 86 2HG1 ILE 86 -1.009 5.143 -2.294 727 1HG2 ILE 86 1HG2 ILE 86 1.856 7.117 -0.640 728 2HG2 ILE 86 2HG2 ILE 86 2.044 6.631 -2.323 729 3HG2 ILE 86 3HG2 ILE 86 2.911 5.767 -1.054 730 1HD1 ILE 86 1HD1 ILE 86 -2.028 5.944 -0.399 731 2HD1 ILE 86 2HD1 ILE 86 -1.775 7.481 -1.226 732 3HD1 ILE 86 3HD1 ILE 86 -0.655 6.964 0.036 733 H ASN 87 H ASN 87 3.424 4.629 -2.825 734 HA ASN 87 HA ASN 87 2.552 5.358 -5.497 735 1HB ASN 87 1HB ASN 87 5.174 4.750 -4.141 736 2HB ASN 87 2HB ASN 87 5.138 4.905 -5.898 737 1HD2 ASN 87 1HD2 ASN 87 6.228 6.993 -6.012 738 2HD2 ASN 87 2HD2 ASN 87 5.527 8.403 -5.378 739 H LEU 88 H LEU 88 4.108 2.385 -4.183 740 HA LEU 88 HA LEU 88 4.277 0.832 -6.544 741 1HB LEU 88 1HB LEU 88 3.970 0.313 -3.629 742 2HB LEU 88 2HB LEU 88 3.557 -1.033 -4.687 743 HG LEU 88 HG LEU 88 6.055 0.379 -5.408 744 1HD1 LEU 88 1HD1 LEU 88 6.314 0.491 -2.999 745 2HD1 LEU 88 2HD1 LEU 88 7.330 -0.820 -3.599 746 3HD1 LEU 88 3HD1 LEU 88 5.789 -1.184 -2.822 747 1HD2 LEU 88 1HD2 LEU 88 5.492 -1.628 -6.583 748 2HD2 LEU 88 2HD2 LEU 88 5.127 -2.487 -5.086 749 3HD2 LEU 88 3HD2 LEU 88 6.796 -2.074 -5.482 750 H LEU 89 H LEU 89 1.437 1.305 -4.387 751 HA LEU 89 HA LEU 89 -0.327 -0.514 -5.749 752 1HB LEU 89 1HB LEU 89 -0.775 2.007 -4.124 753 2HB LEU 89 2HB LEU 89 -2.114 1.029 -4.729 754 HG LEU 89 HG LEU 89 0.139 -0.008 -2.982 755 1HD1 LEU 89 1HD1 LEU 89 -2.746 0.260 -2.162 756 2HD1 LEU 89 2HD1 LEU 89 -1.650 1.632 -2.007 757 3HD1 LEU 89 3HD1 LEU 89 -1.312 0.132 -1.144 758 1HD2 LEU 89 1HD2 LEU 89 -2.125 -1.248 -4.456 759 2HD2 LEU 89 2HD2 LEU 89 -1.878 -1.817 -2.804 760 3HD2 LEU 89 3HD2 LEU 89 -0.574 -1.941 -3.987 761 H ALA 90 H ALA 90 0.426 2.951 -6.329 762 HA ALA 90 HA ALA 90 -1.254 2.824 -8.808 763 1HB ALA 90 1HB ALA 90 -1.129 4.654 -6.750 764 2HB ALA 90 2HB ALA 90 -1.749 5.006 -8.363 765 3HB ALA 90 3HB ALA 90 -0.078 5.394 -7.958 766 H GLU 91 H GLU 91 1.575 1.656 -8.510 767 HA GLU 91 HA GLU 91 3.086 3.509 -10.318 768 1HB GLU 91 1HB GLU 91 4.168 2.710 -8.236 769 2HB GLU 91 2HB GLU 91 3.939 1.042 -8.759 770 1HG GLU 91 1HG GLU 91 5.582 1.180 -10.378 771 2HG GLU 91 2HG GLU 91 5.335 2.909 -10.629 772 H ASN 92 H ASN 92 2.153 0.016 -10.065 773 HA ASN 92 HA ASN 92 2.695 -0.218 -13.007 774 1HB ASN 92 1HB ASN 92 3.736 -1.648 -11.003 775 2HB ASN 92 2HB ASN 92 2.247 -2.568 -11.214 776 1HD2 ASN 92 1HD2 ASN 92 4.866 -3.674 -11.871 777 2HD2 ASN 92 2HD2 ASN 92 4.906 -3.913 -13.551 778 H GLY 93 H GLY 93 0.088 0.835 -11.718 779 1HA GLY 93 1HA GLY 93 -2.160 0.648 -12.382 780 2HA GLY 93 2HA GLY 93 -1.719 -0.757 -13.355 781 H ARG 94 H ARG 94 -1.473 -0.054 -9.819 782 HA ARG 94 HA ARG 94 -2.763 -2.716 -9.374 783 1HB ARG 94 1HB ARG 94 -0.378 -1.643 -8.479 784 2HB ARG 94 2HB ARG 94 -1.454 -1.367 -7.112 785 1HG ARG 94 1HG ARG 94 -0.674 -3.518 -6.655 786 2HG ARG 94 2HG ARG 94 -2.168 -3.863 -7.526 787 1HD ARG 94 1HD ARG 94 0.194 -3.502 -9.272 788 2HD ARG 94 2HD ARG 94 0.259 -4.926 -8.216 789 HE ARG 94 HE ARG 94 -1.766 -4.425 -10.310 790 1HH1 ARG 94 1HH1 ARG 94 -0.079 -6.950 -9.463 791 2HH1 ARG 94 2HH1 ARG 94 -1.366 -7.984 -8.941 792 1HH2 ARG 94 1HH2 ARG 94 -3.717 -5.439 -8.815 793 2HH2 ARG 94 2HH2 ARG 94 -3.426 -7.128 -8.573 794 H LEU 95 H LEU 95 -4.377 -0.276 -9.916 795 HA LEU 95 HA LEU 95 -5.571 0.214 -7.207 796 1HB LEU 95 1HB LEU 95 -5.645 1.697 -9.858 797 2HB LEU 95 2HB LEU 95 -6.680 2.132 -8.498 798 HG LEU 95 HG LEU 95 -3.699 1.869 -8.146 799 1HD1 LEU 95 1HD1 LEU 95 -3.571 3.546 -9.710 800 2HD1 LEU 95 2HD1 LEU 95 -4.012 4.536 -8.319 801 3HD1 LEU 95 3HD1 LEU 95 -5.248 4.037 -9.474 802 1HD2 LEU 95 1HD2 LEU 95 -5.739 3.617 -6.739 803 2HD2 LEU 95 2HD2 LEU 95 -4.091 3.265 -6.219 804 3HD2 LEU 95 3HD2 LEU 95 -5.316 1.996 -6.189 805 H THR 96 H THR 96 -6.046 -2.271 -8.313 806 HA THR 96 HA THR 96 -8.943 -2.130 -9.081 807 HB THR 96 HB THR 96 -8.330 -4.250 -10.432 808 HG1 THR 96 HG1 THR 96 -6.186 -4.513 -10.886 809 1HG2 THR 96 1HG2 THR 96 -8.091 -2.959 -12.316 810 2HG2 THR 96 2HG2 THR 96 -6.834 -1.953 -11.594 811 3HG2 THR 96 3HG2 THR 96 -8.528 -1.680 -11.183 812 H ASN 97 H ASN 97 -6.352 -4.453 -8.071 813 HA ASN 97 HA ASN 97 -8.277 -5.675 -6.136 814 1HB ASN 97 1HB ASN 97 -5.569 -6.526 -7.235 815 2HB ASN 97 2HB ASN 97 -6.515 -7.470 -6.080 816 1HD2 ASN 97 1HD2 ASN 97 -6.391 -6.379 -9.475 817 2HD2 ASN 97 2HD2 ASN 97 -7.626 -7.408 -10.018 818 H THR 98 H THR 98 -6.661 -2.978 -5.857 819 HA THR 98 HA THR 98 -4.511 -3.121 -4.103 820 HB THR 98 HB THR 98 -6.524 -1.107 -3.356 821 HG1 THR 98 HG1 THR 98 -6.747 -0.238 -5.347 822 1HG2 THR 98 1HG2 THR 98 -4.713 0.342 -3.536 823 2HG2 THR 98 2HG2 THR 98 -3.971 -0.596 -4.833 824 3HG2 THR 98 3HG2 THR 98 -3.898 -1.179 -3.170 825 HA PRO 99 HA PRO 99 -7.451 -3.404 -0.299 826 1HB PRO 99 1HB PRO 99 -9.902 -4.577 -0.727 827 2HB PRO 99 2HB PRO 99 -9.637 -2.821 -0.731 828 1HG PRO 99 1HG PRO 99 -9.822 -4.710 -3.034 829 2HG PRO 99 2HG PRO 99 -10.531 -3.097 -2.841 830 1HD PRO 99 1HD PRO 99 -8.326 -3.492 -4.293 831 2HD PRO 99 2HD PRO 99 -8.542 -2.015 -3.336 832 H ALA 100 H ALA 100 -7.676 -5.894 -2.879 833 HA ALA 100 HA ALA 100 -7.802 -8.213 -1.183 834 1HB ALA 100 1HB ALA 100 -8.086 -8.207 -3.668 835 2HB ALA 100 2HB ALA 100 -6.888 -9.393 -3.150 836 3HB ALA 100 3HB ALA 100 -6.366 -7.858 -3.844 837 H VAL 101 H VAL 101 -4.998 -6.285 -2.343 838 HA VAL 101 HA VAL 101 -2.964 -7.978 -1.140 839 HB VAL 101 HB VAL 101 -2.953 -5.013 -1.837 840 1HG1 VAL 101 1HG1 VAL 101 -0.787 -4.932 -1.212 841 2HG1 VAL 101 2HG1 VAL 101 -0.412 -6.423 -2.075 842 3HG1 VAL 101 3HG1 VAL 101 -1.031 -6.491 -0.425 843 1HG2 VAL 101 1HG2 VAL 101 -3.377 -7.073 -3.559 844 2HG2 VAL 101 2HG2 VAL 101 -1.613 -7.026 -3.558 845 3HG2 VAL 101 3HG2 VAL 101 -2.534 -5.591 -4.011 846 H ILE 102 H ILE 102 -4.869 -5.189 0.073 847 HA ILE 102 HA ILE 102 -3.342 -4.910 2.544 848 HB ILE 102 HB ILE 102 -6.163 -4.044 1.791 849 1HG1 ILE 102 1HG1 ILE 102 -3.617 -2.403 1.875 850 2HG1 ILE 102 2HG1 ILE 102 -4.200 -3.178 0.403 851 1HG2 ILE 102 1HG2 ILE 102 -5.693 -2.306 3.621 852 2HG2 ILE 102 2HG2 ILE 102 -4.369 -3.355 4.128 853 3HG2 ILE 102 3HG2 ILE 102 -6.029 -3.948 4.171 854 1HD1 ILE 102 1HD1 ILE 102 -5.964 -1.357 2.043 855 2HD1 ILE 102 2HD1 ILE 102 -6.188 -1.879 0.374 856 3HD1 ILE 102 3HD1 ILE 102 -4.907 -0.735 0.776 857 H SER 103 H SER 103 -6.266 -6.790 1.625 858 HA SER 103 HA SER 103 -7.109 -7.580 4.243 859 1HB SER 103 1HB SER 103 -7.222 -8.856 1.507 860 2HB SER 103 2HB SER 103 -7.836 -9.723 2.911 861 HG SER 103 HG SER 103 -8.670 -7.243 1.835 862 H ALA 104 H ALA 104 -4.654 -9.073 2.077 863 HA ALA 104 HA ALA 104 -3.962 -11.295 3.758 864 1HB ALA 104 1HB ALA 104 -2.622 -9.681 1.620 865 2HB ALA 104 2HB ALA 104 -2.953 -11.413 1.671 866 3HB ALA 104 3HB ALA 104 -1.603 -10.747 2.589 867 H PHE 105 H PHE 105 -2.995 -7.856 3.923 868 HA PHE 105 HA PHE 105 -0.809 -8.010 5.736 869 1HB PHE 105 1HB PHE 105 -1.789 -5.978 4.536 870 2HB PHE 105 2HB PHE 105 -3.038 -5.944 5.778 871 HD1 PHE 105 HD1 PHE 105 -2.084 -6.048 8.294 872 HD2 PHE 105 HD2 PHE 105 0.121 -4.700 4.867 873 HE1 PHE 105 HE1 PHE 105 -0.570 -4.779 9.766 874 HE2 PHE 105 HE2 PHE 105 1.634 -3.430 6.348 875 HZ PHE 105 HZ PHE 105 1.295 -3.480 8.798 876 H SER 106 H SER 106 -4.340 -7.890 6.441 877 HA SER 106 HA SER 106 -4.053 -7.899 9.318 878 1HB SER 106 1HB SER 106 -6.240 -8.680 7.386 879 2HB SER 106 2HB SER 106 -6.457 -8.914 9.119 880 HG SER 106 HG SER 106 -6.035 -6.526 7.666 881 H THR 107 H THR 107 -4.383 -10.588 6.955 882 HA THR 107 HA THR 107 -4.404 -12.662 9.009 883 HB THR 107 HB THR 107 -3.557 -12.898 6.100 884 HG1 THR 107 HG1 THR 107 -5.698 -13.078 5.624 885 1HG2 THR 107 1HG2 THR 107 -4.586 -14.805 8.195 886 2HG2 THR 107 2HG2 THR 107 -3.141 -14.948 7.195 887 3HG2 THR 107 3HG2 THR 107 -4.736 -15.168 6.476 888 H MET 108 H MET 108 -1.812 -11.105 7.067 889 HA MET 108 HA MET 108 0.280 -12.907 7.981 890 1HB MET 108 1HB MET 108 0.204 -10.143 6.759 891 2HB MET 108 2HB MET 108 1.729 -10.887 7.245 892 1HG MET 108 1HG MET 108 1.600 -12.541 5.632 893 2HG MET 108 2HG MET 108 -0.162 -12.518 5.603 894 1HE MET 108 1HE MET 108 1.689 -11.991 2.346 895 2HE MET 108 2HE MET 108 -0.073 -11.996 2.308 896 3HE MET 108 3HE MET 108 0.780 -13.064 3.419 897 H MET 109 H MET 109 -1.099 -9.856 9.275 898 HA MET 109 HA MET 109 0.899 -9.311 11.269 899 1HB MET 109 1HB MET 109 -1.029 -7.825 10.633 900 2HB MET 109 2HB MET 109 -2.121 -8.937 11.458 901 1HG MET 109 1HG MET 109 -0.977 -8.549 13.579 902 2HG MET 109 2HG MET 109 0.214 -7.522 12.779 903 1HE MET 109 1HE MET 109 -0.478 -5.323 14.548 904 2HE MET 109 2HE MET 109 -1.111 -6.834 15.195 905 3HE MET 109 3HE MET 109 -2.146 -5.410 15.130 906 H SER 110 H SER 110 -1.984 -11.501 11.381 907 HA SER 110 HA SER 110 -1.748 -12.262 14.138 908 1HB SER 110 1HB SER 110 -2.679 -13.734 11.656 909 2HB SER 110 2HB SER 110 -2.779 -14.462 13.257 910 HG SER 110 HG SER 110 -4.068 -12.167 12.237 911 H VAL 111 H VAL 111 0.151 -13.345 11.307 912 HA VAL 111 HA VAL 111 1.476 -15.492 12.813 913 HB VAL 111 HB VAL 111 2.226 -14.135 10.198 914 1HG1 VAL 111 1HG1 VAL 111 3.287 -16.452 11.734 915 2HG1 VAL 111 2HG1 VAL 111 4.117 -15.366 10.618 916 3HG1 VAL 111 3HG1 VAL 111 3.118 -16.678 9.993 917 1HG2 VAL 111 1HG2 VAL 111 0.042 -15.034 9.906 918 2HG2 VAL 111 2HG2 VAL 111 0.412 -16.457 10.879 919 3HG2 VAL 111 3HG2 VAL 111 1.125 -16.276 9.276 920 H HIS 112 H HIS 112 1.870 -12.062 12.905 921 HA HIS 112 HA HIS 112 4.768 -12.196 13.414 922 1HB HIS 112 1HB HIS 112 4.690 -9.990 12.831 923 2HB HIS 112 2HB HIS 112 3.078 -10.367 12.249 924 HD1 HIS 112 HD1 HIS 112 1.174 -10.102 14.365 925 HD2 HIS 112 HD2 HIS 112 4.661 -7.897 14.500 926 HE1 HIS 112 HE1 HIS 112 0.748 -8.222 15.995 927 H ARG 113 H ARG 113 1.722 -12.169 15.244 928 HA ARG 113 HA ARG 113 3.156 -11.469 17.756 929 1HB ARG 113 1HB ARG 113 0.609 -11.005 16.760 930 2HB ARG 113 2HB ARG 113 0.336 -12.320 17.901 931 1HG ARG 113 1HG ARG 113 1.325 -11.068 19.704 932 2HG ARG 113 2HG ARG 113 1.899 -9.820 18.596 933 1HD ARG 113 1HD ARG 113 -0.190 -8.850 18.392 934 2HD ARG 113 2HD ARG 113 -1.040 -10.391 18.621 935 HE ARG 113 HE ARG 113 -0.391 -10.248 21.044 936 1HH1 ARG 113 1HH2 ARG 113 -2.322 -8.037 20.505 937 2HH1 ARG 113 2HH2 ARG 113 -1.505 -6.662 21.172 938 1HH2 ARG 113 1HH1 ARG 113 1.590 -8.221 21.280 939 2HH2 ARG 113 2HH1 ARG 113 0.710 -6.766 21.610 940 H GLY 114 H GLY 114 1.711 -14.332 16.144 941 1HA GLY 114 1HA GLY 114 2.316 -15.953 18.569 942 2HA GLY 114 2HA GLY 114 1.294 -16.469 17.227 943 H GLU 115 H GLU 115 4.568 -15.004 17.024 944 HA GLU 115 HA GLU 115 5.597 -17.620 15.993 945 1HB GLU 115 1HB GLU 115 5.362 -14.945 14.697 946 2HB GLU 115 2HB GLU 115 6.840 -15.852 14.380 947 1HG GLU 115 1HG GLU 115 4.047 -16.978 14.032 948 2HG GLU 115 2HG GLU 115 5.022 -16.319 12.718 949 H VAL 116 H VAL 116 6.726 -14.239 16.657 950 HA VAL 116 HA VAL 116 9.328 -15.244 17.616 951 HB VAL 116 HB VAL 116 8.079 -12.470 17.668 952 1HG1 VAL 116 1HG1 VAL 116 10.999 -13.281 17.809 953 2HG1 VAL 116 2HG1 VAL 116 10.030 -12.856 19.220 954 3HG1 VAL 116 3HG1 VAL 116 10.339 -11.653 17.968 955 1HG2 VAL 116 1HG2 VAL 116 9.530 -12.138 15.635 956 2HG2 VAL 116 2HG2 VAL 116 8.220 -13.294 15.388 957 3HG2 VAL 116 3HG2 VAL 116 9.867 -13.868 15.653 958 HA PRO 117 HA PRO 117 7.446 -15.672 21.718 959 1HB PRO 117 1HB PRO 117 9.568 -16.936 22.898 960 2HB PRO 117 2HB PRO 117 8.384 -17.782 21.881 961 1HG PRO 117 1HG PRO 117 11.118 -16.818 21.202 962 2HG PRO 117 2HG PRO 117 10.295 -18.312 20.723 963 1HD PRO 117 1HD PRO 117 10.549 -16.152 19.085 964 2HD PRO 117 2HD PRO 117 9.202 -17.308 18.982 965 H CYS 118 H CYS 118 7.502 -14.001 23.241 966 HA CYS 118 HA CYS 118 10.135 -12.635 23.708 967 1HB CYS 118 1HB CYS 118 8.170 -11.570 22.251 968 2HB CYS 118 2HB CYS 118 7.525 -11.170 23.844 969 HG CYS 118 HG CYS 118 9.918 -9.833 22.529 970 H THR 119 H THR 119 10.686 -12.914 25.876 971 HA THR 119 HA THR 119 8.442 -13.115 27.861 972 HB THR 119 HB THR 119 11.270 -14.212 27.979 973 HG1 THR 119 HG1 THR 119 10.259 -15.371 26.444 974 1HG2 THR 119 1HG2 THR 119 8.824 -14.485 29.725 975 2HG2 THR 119 2HG2 THR 119 10.452 -13.992 30.192 976 3HG2 THR 119 3HG2 THR 119 10.128 -15.671 29.761 977 H VAL 120 H VAL 120 8.642 -11.840 29.803 978 HA VAL 120 HA VAL 120 10.867 -9.823 29.759 979 HB VAL 120 HB VAL 120 8.001 -9.640 30.756 980 1HG1 VAL 120 1HG1 VAL 120 10.337 -7.740 30.824 981 2HG1 VAL 120 2HG1 VAL 120 9.200 -8.140 32.112 982 3HG1 VAL 120 3HG1 VAL 120 8.686 -7.123 30.765 983 1HG2 VAL 120 1HG2 VAL 120 9.062 -7.919 28.569 984 2HG2 VAL 120 2HG2 VAL 120 7.453 -8.611 28.773 985 3HG2 VAL 120 3HG2 VAL 120 8.772 -9.611 28.168 986 1H GLN 1 1H GLN 1 2.004 -7.299 -24.390 987 2H GLN 1 2H GLN 1 3.497 -6.689 -23.855 988 3H GLN 1 3H GLN 1 2.121 -6.559 -22.868 989 HA GLN 1 HA GLN 1 2.028 -9.015 -22.717 990 1HB GLN 1 1HB GLN 1 4.423 -8.543 -24.488 991 2HB GLN 1 2HB GLN 1 4.294 -10.025 -23.540 992 1HG GLN 1 1HG GLN 1 1.822 -9.997 -24.593 993 2HG GLN 1 2HG GLN 1 2.668 -9.115 -25.865 994 1HE2 GLN 1 1HE2 GLN 1 3.167 -12.112 -23.856 995 2HE2 GLN 1 2HE2 GLN 1 3.826 -13.011 -25.137 996 H LYS 2 H LYS 2 2.215 -8.612 -20.458 997 HA LYS 2 HA LYS 2 4.967 -7.936 -19.461 998 1HB LYS 2 1HB LYS 2 2.191 -7.082 -18.762 999 2HB LYS 2 2HB LYS 2 3.351 -7.216 -17.440 1000 1HG LYS 2 1HG LYS 2 4.930 -5.861 -19.025 1001 2HG LYS 2 2HG LYS 2 3.435 -5.415 -19.848 1002 1HD LYS 2 1HD LYS 2 2.654 -4.942 -17.328 1003 2HD LYS 2 2HD LYS 2 4.386 -4.685 -17.118 1004 1HE LYS 2 1HE LYS 2 4.039 -3.272 -19.388 1005 2HE LYS 2 2HE LYS 2 2.421 -3.086 -18.686 1006 1HZ LYS 2 1HZ LYS 2 4.979 -2.616 -17.245 1007 2HZ LYS 2 2HZ LYS 2 3.418 -2.420 -16.600 1008 3HZ LYS 2 3HZ LYS 2 3.962 -1.398 -17.844 1009 H THR 3 H THR 3 5.653 -10.167 -19.148 1010 HA THR 3 HA THR 3 4.010 -11.717 -17.169 1011 HB THR 3 HB THR 3 5.156 -13.686 -18.283 1012 HG1 THR 3 HG1 THR 3 6.898 -12.734 -19.210 1013 1HG2 THR 3 1HG2 THR 3 2.910 -13.188 -18.951 1014 2HG2 THR 3 2HG2 THR 3 3.827 -13.439 -20.436 1015 3HG2 THR 3 3HG2 THR 3 3.436 -11.803 -19.907 1016 H GLY 4 H GLY 4 5.833 -9.792 -16.149 1017 1HA GLY 4 1HA GLY 4 8.075 -11.539 -15.203 1018 2HA GLY 4 2HA GLY 4 8.279 -9.809 -15.486 1019 H THR 5 H THR 5 7.671 -12.089 -13.071 1020 HA THR 5 HA THR 5 6.362 -10.017 -11.334 1021 HB THR 5 HB THR 5 5.842 -12.335 -10.079 1022 HG1 THR 5 HG1 THR 5 5.655 -13.986 -11.529 1023 1HG2 THR 5 1HG2 THR 5 4.283 -11.662 -12.569 1024 2HG2 THR 5 2HG2 THR 5 4.289 -10.582 -11.175 1025 3HG2 THR 5 3HG2 THR 5 3.678 -12.229 -11.013 1026 H ALA 6 H ALA 6 7.918 -9.158 -9.941 1027 HA ALA 6 HA ALA 6 9.901 -11.069 -8.747 1028 1HB ALA 6 1HB ALA 6 11.591 -9.368 -9.037 1029 2HB ALA 6 2HB ALA 6 10.383 -8.174 -9.511 1030 3HB ALA 6 3HB ALA 6 10.754 -9.525 -10.582 1031 H GLU 7 H GLU 7 11.079 -9.241 -6.935 1032 HA GLU 7 HA GLU 7 8.760 -8.287 -5.292 1033 1HB GLU 7 1HB GLU 7 11.270 -9.766 -4.424 1034 2HB GLU 7 2HB GLU 7 10.013 -9.176 -3.339 1035 1HG GLU 7 1HG GLU 7 9.109 -11.246 -3.605 1036 2HG GLU 7 2HG GLU 7 8.530 -10.614 -5.145 1037 H VAL 8 H VAL 8 10.141 -6.534 -6.995 1038 HA VAL 8 HA VAL 8 12.500 -5.294 -5.999 1039 HB VAL 8 HB VAL 8 10.085 -4.029 -7.353 1040 1HG1 VAL 8 1HG1 VAL 8 11.253 -2.137 -6.760 1041 2HG1 VAL 8 2HG1 VAL 8 12.190 -2.568 -8.192 1042 3HG1 VAL 8 3HG1 VAL 8 12.777 -3.008 -6.588 1043 1HG2 VAL 8 1HG2 VAL 8 12.412 -5.647 -8.272 1044 2HG2 VAL 8 2HG2 VAL 8 11.964 -4.267 -9.277 1045 3HG2 VAL 8 3HG2 VAL 8 10.785 -5.537 -8.944 1046 H SER 9 H SER 9 9.084 -4.758 -5.030 1047 HA SER 9 HA SER 9 9.564 -2.549 -3.244 1048 1HB SER 9 1HB SER 9 7.313 -3.262 -3.958 1049 2HB SER 9 2HB SER 9 7.514 -4.796 -3.117 1050 HG SER 9 HG SER 9 6.389 -3.397 -1.787 1051 H SER 10 H SER 10 9.903 -6.086 -2.784 1052 HA SER 10 HA SER 10 10.295 -6.007 0.085 1053 1HB SER 10 1HB SER 10 9.779 -8.076 -1.137 1054 2HB SER 10 2HB SER 10 11.272 -7.931 -2.061 1055 HG SER 10 HG SER 10 12.431 -8.383 -0.262 1056 H ILE 11 H ILE 11 12.716 -6.229 -2.599 1057 HA ILE 11 HA ILE 11 15.018 -5.943 -0.904 1058 HB ILE 11 HB ILE 11 16.205 -5.332 -2.983 1059 1HG1 ILE 11 1HG1 ILE 11 13.493 -5.246 -4.323 1060 2HG1 ILE 11 2HG1 ILE 11 14.347 -3.796 -3.805 1061 1HG2 ILE 11 1HG2 ILE 11 14.793 -7.246 -4.415 1062 2HG2 ILE 11 2HG2 ILE 11 14.376 -7.612 -2.742 1063 3HG2 ILE 11 3HG2 ILE 11 16.066 -7.573 -3.239 1064 1HD1 ILE 11 1HD1 ILE 11 16.216 -4.304 -5.253 1065 2HD1 ILE 11 2HD1 ILE 11 14.742 -4.397 -6.215 1066 3HD1 ILE 11 3HD1 ILE 11 15.528 -5.876 -5.663 1067 H LEU 12 H LEU 12 12.829 -3.471 -2.280 1068 HA LEU 12 HA LEU 12 14.483 -1.173 -1.731 1069 1HB LEU 12 1HB LEU 12 12.301 -1.363 -3.099 1070 2HB LEU 12 2HB LEU 12 11.458 -1.250 -1.553 1071 HG LEU 12 HG LEU 12 12.901 0.860 -1.147 1072 1HD1 LEU 12 1HD1 LEU 12 13.569 1.997 -3.269 1073 2HD1 LEU 12 2HD1 LEU 12 13.182 0.518 -4.148 1074 3HD1 LEU 12 3HD1 LEU 12 14.491 0.524 -2.967 1075 1HD2 LEU 12 1HD2 LEU 12 10.910 1.044 -3.420 1076 2HD2 LEU 12 2HD2 LEU 12 11.228 2.236 -2.160 1077 3HD2 LEU 12 3HD2 LEU 12 10.416 0.723 -1.758 1078 H GLU 13 H GLU 13 12.185 -3.010 0.336 1079 HA GLU 13 HA GLU 13 12.072 -1.200 2.544 1080 1HB GLU 13 1HB GLU 13 10.807 -3.417 2.115 1081 2HB GLU 13 2HB GLU 13 12.214 -4.212 2.824 1082 1HG GLU 13 1HG GLU 13 10.828 -1.943 4.247 1083 2HG GLU 13 2HG GLU 13 10.258 -3.604 4.407 1084 H GLU 14 H GLU 14 14.557 -3.655 1.722 1085 HA GLU 14 HA GLU 14 16.067 -3.305 4.191 1086 1HB GLU 14 1HB GLU 14 16.156 -5.249 2.517 1087 2HB GLU 14 2HB GLU 14 17.142 -4.199 1.498 1088 1HG GLU 14 1HG GLU 14 18.954 -4.307 2.899 1089 2HG GLU 14 2HG GLU 14 17.956 -4.419 4.350 1090 H ARG 15 H ARG 15 16.193 -1.740 0.965 1091 HA ARG 15 HA ARG 15 18.645 -0.268 1.453 1092 1HB ARG 15 1HB ARG 15 16.294 0.069 -0.426 1093 2HB ARG 15 2HB ARG 15 17.651 1.195 -0.434 1094 1HG ARG 15 1HG ARG 15 19.181 -0.807 -0.710 1095 2HG ARG 15 2HG ARG 15 17.735 -1.785 -0.964 1096 1HD ARG 15 1HD ARG 15 17.247 -0.775 -3.012 1097 2HD ARG 15 2HD ARG 15 18.110 0.718 -2.593 1098 HE ARG 15 HE ARG 15 19.336 -1.726 -3.651 1099 1HH1 ARG 15 1HH1 ARG 15 19.922 1.381 -3.883 1100 2HH1 ARG 15 2HH1 ARG 15 21.535 1.399 -3.252 1101 1HH2 ARG 15 1HH2 ARG 15 21.344 -1.808 -1.946 1102 2HH2 ARG 15 2HH2 ARG 15 22.339 -0.407 -2.155 1103 H ILE 16 H ILE 16 15.188 0.491 2.098 1104 HA ILE 16 HA ILE 16 15.745 3.251 2.872 1105 HB ILE 16 HB ILE 16 13.418 3.244 3.659 1106 1HG1 ILE 16 1HG1 ILE 16 13.262 0.299 3.013 1107 2HG1 ILE 16 2HG1 ILE 16 13.655 0.848 4.640 1108 1HG2 ILE 16 1HG2 ILE 16 12.501 3.058 1.558 1109 2HG2 ILE 16 2HG2 ILE 16 13.265 1.499 1.245 1110 3HG2 ILE 16 3HG2 ILE 16 14.207 2.985 1.114 1111 1HD1 ILE 16 1HD1 ILE 16 11.150 0.418 4.012 1112 2HD1 ILE 16 2HD1 ILE 16 11.267 1.986 3.213 1113 3HD1 ILE 16 3HD1 ILE 16 11.566 1.855 4.946 1114 H LEU 17 H LEU 17 15.740 0.161 4.667 1115 HA LEU 17 HA LEU 17 16.315 1.716 7.169 1116 1HB LEU 17 1HB LEU 17 14.925 -0.860 6.514 1117 2HB LEU 17 2HB LEU 17 15.694 -0.697 8.092 1118 HG LEU 17 HG LEU 17 13.704 1.284 6.952 1119 1HD1 LEU 17 1HD1 LEU 17 12.004 0.181 8.035 1120 2HD1 LEU 17 2HD1 LEU 17 13.069 -0.430 9.303 1121 3HD1 LEU 17 3HD1 LEU 17 13.043 -1.209 7.720 1122 1HD2 LEU 17 1HD2 LEU 17 13.708 1.690 9.613 1123 2HD2 LEU 17 2HD2 LEU 17 14.826 2.528 8.536 1124 3HD2 LEU 17 3HD2 LEU 17 15.359 1.102 9.426 1125 H GLY 18 H GLY 18 17.070 -1.600 5.919 1126 1HA GLY 18 1HA GLY 18 19.118 -2.736 5.822 1127 2HA GLY 18 2HA GLY 18 19.911 -1.159 5.846 1128 H ALA 19 H ALA 19 20.592 -0.273 7.890 1129 HA ALA 19 HA ALA 19 20.134 -1.995 10.291 1130 1HB ALA 19 1HB ALA 19 22.620 -1.737 10.723 1131 2HB ALA 19 2HB ALA 19 22.762 -1.060 9.100 1132 3HB ALA 19 3HB ALA 19 22.224 -2.725 9.316 1133 H ASP 20 H ASP 20 21.013 -0.751 12.332 1134 HA ASP 20 HA ASP 20 20.889 2.212 11.964 1135 1HB ASP 20 1HB ASP 20 18.979 0.378 13.317 1136 2HB ASP 20 2HB ASP 20 19.366 1.863 14.185 1137 H THR 21 H THR 21 21.337 3.245 14.311 1138 HA THR 21 HA THR 21 23.373 1.560 15.732 1139 HB THR 21 HB THR 21 23.545 4.503 15.002 1140 HG1 THR 21 HG1 THR 21 23.851 3.401 13.151 1141 1HG2 THR 21 1HG2 THR 21 26.066 3.739 15.562 1142 2HG2 THR 21 2HG2 THR 21 25.193 2.636 16.626 1143 3HG2 THR 21 3HG2 THR 21 24.973 4.379 16.789 1144 H SER 22 H SER 22 23.030 1.535 17.967 1145 HA SER 22 HA SER 22 21.507 3.813 19.178 1146 1HB SER 22 1HB SER 22 20.458 1.796 20.543 1147 2HB SER 22 2HB SER 22 19.816 2.224 18.960 1148 HG SER 22 HG SER 22 20.357 -0.061 19.333 1149 H VAL 23 H VAL 23 21.535 3.199 21.804 1150 HA VAL 23 HA VAL 23 24.422 2.653 22.423 1151 HB VAL 23 HB VAL 23 22.344 4.363 23.836 1152 1HG1 VAL 23 1HG1 VAL 23 23.784 3.873 25.570 1153 2HG1 VAL 23 2HG1 VAL 23 24.688 5.198 24.836 1154 3HG1 VAL 23 3HG1 VAL 23 25.135 3.527 24.489 1155 1HG2 VAL 23 1HG2 VAL 23 23.717 6.253 23.016 1156 2HG2 VAL 23 2HG2 VAL 23 23.078 5.305 21.674 1157 3HG2 VAL 23 3HG2 VAL 23 24.763 5.118 22.161 1158 H ASP 24 H ASP 24 21.165 2.497 24.014 1159 HA ASP 24 HA ASP 24 21.985 -0.152 25.152 1160 1HB ASP 24 1HB ASP 24 20.937 0.604 27.283 1161 2HB ASP 24 2HB ASP 24 22.290 1.633 26.816 1162 H LEU 25 H LEU 25 20.262 -1.693 25.263 1163 HA LEU 25 HA LEU 25 17.650 -0.776 24.097 1164 1HB LEU 25 1HB LEU 25 19.509 -3.016 23.605 1165 2HB LEU 25 2HB LEU 25 17.817 -3.501 23.714 1166 HG LEU 25 HG LEU 25 18.409 -1.076 22.092 1167 1HD1 LEU 25 1HD1 LEU 25 20.096 -2.234 21.033 1168 2HD1 LEU 25 2HD1 LEU 25 18.721 -2.916 20.164 1169 3HD1 LEU 25 3HD1 LEU 25 19.451 -3.807 21.500 1170 1HD2 LEU 25 1HD2 LEU 25 16.144 -2.299 22.546 1171 2HD2 LEU 25 2HD2 LEU 25 16.723 -3.461 21.352 1172 3HD2 LEU 25 3HD2 LEU 25 16.503 -1.770 20.901 Start of MODEL 6 1 1H PHE 1 1H PHE 1 -10.880 -37.918 -0.736 2 2H PHE 1 2H PHE 1 -12.308 -38.165 0.152 3 3H PHE 1 3H PHE 1 -10.797 -38.466 0.867 4 HA PHE 1 HA PHE 1 -11.544 -36.389 1.725 5 1HB PHE 1 1HB PHE 1 -9.165 -36.713 1.046 6 2HB PHE 1 2HB PHE 1 -9.548 -36.029 -0.534 7 HD1 PHE 1 HD1 PHE 1 -9.058 -33.776 -0.828 8 HD2 PHE 1 HD2 PHE 1 -10.128 -35.191 3.085 9 HE1 PHE 1 HE1 PHE 1 -8.747 -31.491 0.084 10 HE2 PHE 1 HE2 PHE 1 -9.815 -32.906 3.997 11 HZ PHE 1 HZ PHE 1 -9.124 -31.056 2.495 12 H ALA 2 H ALA 2 -12.231 -34.096 1.201 13 HA ALA 2 HA ALA 2 -13.757 -33.983 -1.384 14 1HB ALA 2 1HB ALA 2 -14.909 -34.144 0.945 15 2HB ALA 2 2HB ALA 2 -15.481 -32.906 -0.172 16 3HB ALA 2 3HB ALA 2 -14.397 -32.469 1.148 17 H LYS 3 H LYS 3 -14.397 -31.285 -1.441 18 HA LYS 3 HA LYS 3 -11.784 -29.838 -1.198 19 1HB LYS 3 1HB LYS 3 -13.562 -30.342 -3.565 20 2HB LYS 3 2HB LYS 3 -12.650 -28.833 -3.493 21 1HG LYS 3 1HG LYS 3 -10.663 -30.494 -2.847 22 2HG LYS 3 2HG LYS 3 -11.657 -31.639 -3.750 23 1HD LYS 3 1HD LYS 3 -11.765 -29.568 -5.459 24 2HD LYS 3 2HD LYS 3 -10.207 -29.219 -4.709 25 1HE LYS 3 1HE LYS 3 -10.924 -31.949 -5.828 26 2HE LYS 3 2HE LYS 3 -10.045 -30.713 -6.750 27 1HZ LYS 3 1HZ LYS 3 -9.251 -31.880 -4.135 28 2HZ LYS 3 2HZ LYS 3 -8.471 -30.561 -4.869 29 3HZ LYS 3 3HZ LYS 3 -8.455 -32.085 -5.618 30 H LEU 4 H LEU 4 -12.065 -27.803 -0.244 31 HA LEU 4 HA LEU 4 -14.857 -26.694 -0.186 32 1HB LEU 4 1HB LEU 4 -12.632 -26.696 1.879 33 2HB LEU 4 2HB LEU 4 -14.145 -25.808 2.062 34 HG LEU 4 HG LEU 4 -14.220 -28.741 1.419 35 1HD1 LEU 4 1HD1 LEU 4 -13.583 -27.452 4.069 36 2HD1 LEU 4 2HD1 LEU 4 -12.820 -28.850 3.311 37 3HD1 LEU 4 3HD1 LEU 4 -14.438 -28.993 3.999 38 1HD2 LEU 4 1HD2 LEU 4 -16.001 -26.840 2.978 39 2HD2 LEU 4 2HD2 LEU 4 -16.337 -28.551 2.717 40 3HD2 LEU 4 3HD2 LEU 4 -16.300 -27.440 1.347 41 H VAL 5 H VAL 5 -15.049 -24.500 -0.796 42 HA VAL 5 HA VAL 5 -12.642 -22.780 -0.857 43 HB VAL 5 HB VAL 5 -12.535 -24.099 -2.935 44 1HG1 VAL 5 1HG1 VAL 5 -15.144 -22.842 -3.782 45 2HG1 VAL 5 2HG1 VAL 5 -15.111 -24.397 -2.953 46 3HG1 VAL 5 3HG1 VAL 5 -14.295 -24.208 -4.504 47 1HG2 VAL 5 1HG2 VAL 5 -13.517 -21.447 -3.896 48 2HG2 VAL 5 2HG2 VAL 5 -12.024 -22.299 -4.288 49 3HG2 VAL 5 3HG2 VAL 5 -12.180 -21.453 -2.747 50 H ARG 6 H ARG 6 -14.688 -22.180 0.793 51 HA ARG 6 HA ARG 6 -16.993 -20.860 -0.233 52 1HB ARG 6 1HB ARG 6 -15.397 -20.795 2.277 53 2HB ARG 6 2HB ARG 6 -16.458 -19.414 2.007 54 1HG ARG 6 1HG ARG 6 -17.709 -21.098 3.218 55 2HG ARG 6 2HG ARG 6 -18.336 -21.027 1.570 56 1HD ARG 6 1HD ARG 6 -17.347 -23.070 0.967 57 2HD ARG 6 2HD ARG 6 -16.137 -22.975 2.263 58 HE ARG 6 HE ARG 6 -17.743 -23.874 3.748 59 1HH1 ARG 6 1HH1 ARG 6 -19.810 -21.742 3.210 60 2HH1 ARG 6 2HH1 ARG 6 -21.130 -22.679 2.595 61 1HH2 ARG 6 1HH2 ARG 6 -19.188 -25.480 1.955 62 2HH2 ARG 6 2HH2 ARG 6 -20.779 -24.796 1.885 63 HA PRO 7 HA PRO 7 -14.625 -16.722 -0.345 64 1HB PRO 7 1HB PRO 7 -11.918 -16.719 0.051 65 2HB PRO 7 2HB PRO 7 -13.090 -16.537 1.371 66 1HG PRO 7 1HG PRO 7 -11.555 -18.938 0.521 67 2HG PRO 7 2HG PRO 7 -11.969 -18.381 2.149 68 1HD PRO 7 1HD PRO 7 -13.285 -20.394 0.866 69 2HD PRO 7 2HD PRO 7 -14.032 -19.363 2.103 70 HA PRO 8 HA PRO 8 -13.420 -18.116 -4.482 71 1HB PRO 8 1HB PRO 8 -14.086 -15.815 -5.804 72 2HB PRO 8 2HB PRO 8 -15.283 -17.036 -5.328 73 1HG PRO 8 1HG PRO 8 -14.603 -14.446 -4.030 74 2HG PRO 8 2HG PRO 8 -16.180 -15.219 -4.250 75 1HD PRO 8 1HD PRO 8 -14.808 -15.256 -1.898 76 2HD PRO 8 2HD PRO 8 -15.945 -16.530 -2.390 77 H VAL 9 H VAL 9 -12.556 -14.884 -3.137 78 HA VAL 9 HA VAL 9 -9.791 -15.291 -4.186 79 HB VAL 9 HB VAL 9 -9.837 -12.965 -5.064 80 1HG1 VAL 9 1HG1 VAL 9 -10.636 -15.104 -6.351 81 2HG1 VAL 9 2HG1 VAL 9 -10.922 -13.514 -7.058 82 3HG1 VAL 9 3HG1 VAL 9 -12.230 -14.358 -6.230 83 1HG2 VAL 9 1HG2 VAL 9 -12.011 -11.793 -5.236 84 2HG2 VAL 9 2HG2 VAL 9 -11.572 -12.065 -3.551 85 3HG2 VAL 9 3HG2 VAL 9 -12.781 -13.090 -4.322 86 H GLN 10 H GLN 10 -8.252 -14.649 -2.667 87 HA GLN 10 HA GLN 10 -8.761 -12.532 -0.711 88 1HB GLN 10 1HB GLN 10 -10.130 -14.525 0.050 89 2HB GLN 10 2HB GLN 10 -8.612 -15.394 0.278 90 1HG GLN 10 1HG GLN 10 -8.823 -14.525 2.397 91 2HG GLN 10 2HG GLN 10 -8.006 -13.160 1.636 92 1HE2 GLN 10 1HE2 GLN 10 -11.399 -14.383 2.123 93 2HE2 GLN 10 2HE2 GLN 10 -12.060 -12.834 2.339 94 H ILE 11 H ILE 11 -6.823 -15.565 -1.136 95 HA ILE 11 HA ILE 11 -4.364 -13.973 -0.451 96 HB ILE 11 HB ILE 11 -5.115 -16.870 -0.124 97 1HG1 ILE 11 1HG1 ILE 11 -6.238 -15.364 1.469 98 2HG1 ILE 11 2HG1 ILE 11 -5.056 -16.371 2.300 99 1HG2 ILE 11 1HG2 ILE 11 -2.855 -17.178 -0.210 100 2HG2 ILE 11 2HG2 ILE 11 -2.879 -16.507 1.421 101 3HG2 ILE 11 3HG2 ILE 11 -2.523 -15.465 0.042 102 1HD1 ILE 11 1HD1 ILE 11 -4.753 -14.139 3.131 103 2HD1 ILE 11 2HD1 ILE 11 -4.766 -13.464 1.502 104 3HD1 ILE 11 3HD1 ILE 11 -3.406 -14.451 2.037 105 H TYR 12 H TYR 12 -2.526 -14.277 -1.890 106 HA TYR 12 HA TYR 12 -2.916 -16.109 -4.220 107 1HB TYR 12 1HB TYR 12 -2.144 -13.191 -4.569 108 2HB TYR 12 2HB TYR 12 -2.681 -14.322 -5.808 109 HD1 TYR 12 HD1 TYR 12 -3.751 -12.344 -2.862 110 HD2 TYR 12 HD2 TYR 12 -5.045 -14.727 -6.193 111 HE1 TYR 12 HE1 TYR 12 -6.086 -11.715 -2.403 112 HE2 TYR 12 HE2 TYR 12 -7.388 -14.065 -5.744 113 HH TYR 12 HH TYR 12 -8.299 -11.547 -4.066 114 H GLY 13 H GLY 13 -0.644 -13.529 -3.054 115 1HA GLY 13 1HA GLY 13 1.514 -14.882 -2.195 116 2HA GLY 13 2HA GLY 13 1.629 -15.215 -3.923 117 H ILE 14 H ILE 14 1.989 -13.373 -5.392 118 HA ILE 14 HA ILE 14 3.885 -11.462 -4.482 119 HB ILE 14 HB ILE 14 3.482 -12.056 -6.863 120 1HG1 ILE 14 1HG1 ILE 14 3.673 -9.752 -7.786 121 2HG1 ILE 14 2HG1 ILE 14 3.156 -9.105 -6.230 122 1HG2 ILE 14 1HG2 ILE 14 1.589 -11.004 -8.066 123 2HG2 ILE 14 2HG2 ILE 14 0.980 -10.369 -6.538 124 3HG2 ILE 14 3HG2 ILE 14 1.017 -12.108 -6.817 125 1HD1 ILE 14 1HD1 ILE 14 5.177 -9.502 -5.245 126 2HD1 ILE 14 2HD1 ILE 14 5.766 -9.485 -6.908 127 3HD1 ILE 14 3HD1 ILE 14 5.414 -11.020 -6.113 128 H GLU 15 H GLU 15 0.313 -11.170 -4.624 129 HA GLU 15 HA GLU 15 0.294 -8.348 -3.877 130 1HB GLU 15 1HB GLU 15 -1.699 -10.591 -4.050 131 2HB GLU 15 2HB GLU 15 -2.154 -9.124 -3.181 132 1HG GLU 15 1HG GLU 15 -2.163 -7.834 -5.080 133 2HG GLU 15 2HG GLU 15 -0.851 -8.744 -5.828 134 H GLY 16 H GLY 16 0.098 -11.435 -2.031 135 1HA GLY 16 1HA GLY 16 -0.382 -10.170 0.518 136 2HA GLY 16 2HA GLY 16 0.256 -11.803 0.286 137 H ARG 17 H ARG 17 2.600 -11.196 -1.211 138 HA ARG 17 HA ARG 17 4.459 -10.495 0.872 139 1HB ARG 17 1HB ARG 17 4.563 -10.813 -2.115 140 2HB ARG 17 2HB ARG 17 5.961 -10.120 -1.289 141 1HG ARG 17 1HG ARG 17 5.883 -12.114 0.281 142 2HG ARG 17 2HG ARG 17 4.693 -12.827 -0.809 143 1HD ARG 17 1HD ARG 17 7.164 -11.796 -2.106 144 2HD ARG 17 2HD ARG 17 7.353 -13.247 -1.101 145 HE ARG 17 HE ARG 17 5.344 -13.035 -3.315 146 1HH1 ARG 17 1HH1 ARG 17 8.202 -14.523 -2.576 147 2HH1 ARG 17 2HH1 ARG 17 7.639 -16.150 -2.773 148 1HH2 ARG 17 1HH2 ARG 17 4.299 -15.244 -3.014 149 2HH2 ARG 17 2HH2 ARG 17 5.429 -16.557 -3.021 150 H TYR 18 H TYR 18 2.655 -8.423 -1.384 151 HA TYR 18 HA TYR 18 4.383 -6.119 -1.248 152 1HB TYR 18 1HB TYR 18 1.517 -6.681 -1.902 153 2HB TYR 18 2HB TYR 18 1.913 -5.014 -1.502 154 HD1 TYR 18 HD1 TYR 18 3.950 -7.607 -3.294 155 HD2 TYR 18 HD2 TYR 18 1.889 -3.843 -3.524 156 HE1 TYR 18 HE1 TYR 18 4.820 -7.271 -5.591 157 HE2 TYR 18 HE2 TYR 18 2.766 -3.507 -5.819 158 HH TYR 18 HH TYR 18 5.091 -4.586 -7.076 159 H ALA 19 H ALA 19 1.633 -7.158 0.826 160 HA ALA 19 HA ALA 19 1.951 -4.843 2.616 161 1HB ALA 19 1HB ALA 19 -0.226 -5.676 2.674 162 2HB ALA 19 2HB ALA 19 0.457 -6.517 4.068 163 3HB ALA 19 3HB ALA 19 0.302 -7.352 2.520 164 H THR 20 H THR 20 2.929 -8.301 2.669 165 HA THR 20 HA THR 20 4.109 -8.073 5.323 166 HB THR 20 HB THR 20 5.269 -10.287 4.206 167 HG1 THR 20 HG1 THR 20 3.755 -11.147 2.786 168 1HG2 THR 20 1HG2 THR 20 3.279 -11.496 5.152 169 2HG2 THR 20 2HG2 THR 20 2.481 -9.933 5.346 170 3HG2 THR 20 3HG2 THR 20 3.955 -10.291 6.247 171 H ALA 21 H ALA 21 5.325 -7.446 2.045 172 HA ALA 21 HA ALA 21 8.125 -7.455 2.959 173 1HB ALA 21 1HB ALA 21 7.646 -7.999 0.642 174 2HB ALA 21 2HB ALA 21 8.480 -6.445 0.651 175 3HB ALA 21 3HB ALA 21 6.733 -6.505 0.432 176 H LEU 22 H LEU 22 5.479 -5.136 2.981 177 HA LEU 22 HA LEU 22 7.418 -2.886 3.402 178 1HB LEU 22 1HB LEU 22 5.491 -2.581 1.842 179 2HB LEU 22 2HB LEU 22 4.384 -2.934 3.170 180 HG LEU 22 HG LEU 22 5.952 -0.975 4.286 181 1HD1 LEU 22 1HD1 LEU 22 7.165 -0.136 2.532 182 2HD1 LEU 22 2HD1 LEU 22 5.678 0.771 2.250 183 3HD1 LEU 22 3HD1 LEU 22 6.006 -0.695 1.325 184 1HD2 LEU 22 1HD2 LEU 22 3.942 0.522 3.267 185 2HD2 LEU 22 2HD2 LEU 22 3.713 -0.609 4.601 186 3HD2 LEU 22 3HD2 LEU 22 3.295 -1.089 2.955 187 H TYR 23 H TYR 23 4.707 -4.612 5.010 188 HA TYR 23 HA TYR 23 5.157 -3.121 7.476 189 1HB TYR 23 1HB TYR 23 3.074 -3.879 7.897 190 2HB TYR 23 2HB TYR 23 3.102 -4.688 6.342 191 HD1 TYR 23 HD1 TYR 23 2.785 -6.956 6.250 192 HD2 TYR 23 HD2 TYR 23 4.244 -5.193 9.871 193 HE1 TYR 23 HE1 TYR 23 2.716 -9.148 7.333 194 HE2 TYR 23 HE2 TYR 23 4.147 -7.384 10.990 195 HH TYR 23 HH TYR 23 4.127 -10.177 9.551 196 H SER 24 H SER 24 6.709 -5.914 5.982 197 HA SER 24 HA SER 24 7.506 -7.446 8.241 198 1HB SER 24 1HB SER 24 9.757 -7.541 6.812 199 2HB SER 24 2HB SER 24 8.281 -8.292 6.212 200 HG SER 24 HG SER 24 9.508 -6.761 4.787 201 H ALA 25 H ALA 25 8.741 -4.293 7.075 202 HA ALA 25 HA ALA 25 10.770 -4.085 9.199 203 1HB ALA 25 1HB ALA 25 10.543 -1.573 8.365 204 2HB ALA 25 2HB ALA 25 9.608 -2.304 7.060 205 3HB ALA 25 3HB ALA 25 11.288 -2.776 7.311 206 H ALA 26 H ALA 26 7.417 -2.900 8.586 207 HA ALA 26 HA ALA 26 7.134 -1.286 10.948 208 1HB ALA 26 1HB ALA 26 4.764 -1.491 10.529 209 2HB ALA 26 2HB ALA 26 4.985 -3.025 9.689 210 3HB ALA 26 3HB ALA 26 5.549 -1.527 8.950 211 H SER 27 H SER 27 6.699 -4.822 10.451 212 HA SER 27 HA SER 27 5.568 -5.492 12.978 213 1HB SER 27 1HB SER 27 6.150 -7.699 12.412 214 2HB SER 27 2HB SER 27 6.165 -6.915 10.835 215 HG SER 27 HG SER 27 8.332 -6.909 10.845 216 H LYS 28 H LYS 28 9.012 -5.017 12.057 217 HA LYS 28 HA LYS 28 10.140 -5.767 14.612 218 1HB LYS 28 1HB LYS 28 11.002 -4.105 12.253 219 2HB LYS 28 2HB LYS 28 11.980 -4.074 13.721 220 1HG LYS 28 1HG LYS 28 12.956 -5.865 12.616 221 2HG LYS 28 2HG LYS 28 11.721 -6.708 13.553 222 1HD LYS 28 1HD LYS 28 10.328 -7.006 11.701 223 2HD LYS 28 2HD LYS 28 11.057 -5.666 10.813 224 1HE LYS 28 1HE LYS 28 11.798 -7.795 9.830 225 2HE LYS 28 2HE LYS 28 13.177 -7.020 10.636 226 1HZ LYS 28 1HZ LYS 28 12.837 -9.404 11.248 227 2HZ LYS 28 2HZ LYS 28 11.371 -8.955 11.979 228 3HZ LYS 28 3HZ LYS 28 12.841 -8.337 12.566 229 H GLN 29 H GLN 29 8.897 -2.642 13.341 230 HA GLN 29 HA GLN 29 9.517 -1.301 15.919 231 1HB GLN 29 1HB GLN 29 8.205 -0.325 13.362 232 2HB GLN 29 2HB GLN 29 8.682 0.701 14.714 233 1HG GLN 29 1HG GLN 29 10.986 0.297 14.362 234 2HG GLN 29 2HG GLN 29 10.670 -1.114 13.352 235 1HE2 GLN 29 1HE2 GLN 29 12.207 1.413 12.631 236 2HE2 GLN 29 2HE2 GLN 29 11.410 2.026 11.263 237 H ASN 30 H ASN 30 6.919 -3.230 14.819 238 HA ASN 30 HA ASN 30 4.807 -3.627 15.736 239 1HB ASN 30 1HB ASN 30 6.252 -2.831 17.838 240 2HB ASN 30 2HB ASN 30 5.192 -1.424 17.735 241 1HD2 ASN 30 1HD2 ASN 30 2.719 -2.012 17.604 242 2HD2 ASN 30 2HD2 ASN 30 2.216 -3.348 18.524 243 H LYS 31 H LYS 31 5.118 -1.861 13.513 244 HA LYS 31 HA LYS 31 3.154 0.313 14.120 245 1HB LYS 31 1HB LYS 31 5.187 -0.125 11.919 246 2HB LYS 31 2HB LYS 31 4.031 1.207 11.917 247 1HG LYS 31 1HG LYS 31 5.054 1.408 14.449 248 2HG LYS 31 2HG LYS 31 6.460 0.825 13.558 249 1HD LYS 31 1HD LYS 31 5.815 2.670 11.823 250 2HD LYS 31 2HD LYS 31 4.894 3.362 13.158 251 1HE LYS 31 1HE LYS 31 7.763 2.552 13.603 252 2HE LYS 31 2HE LYS 31 7.387 4.112 12.844 253 1HZ LYS 31 1HZ LYS 31 6.386 3.102 15.451 254 2HZ LYS 31 2HZ LYS 31 5.785 4.493 14.684 255 3HZ LYS 31 3HZ LYS 31 7.404 4.435 15.196 256 H LEU 32 H LEU 32 2.779 -2.818 13.208 257 HA LEU 32 HA LEU 32 1.526 -2.922 10.679 258 1HB LEU 32 1HB LEU 32 1.170 -4.315 13.305 259 2HB LEU 32 2HB LEU 32 -0.032 -4.604 12.047 260 HG LEU 32 HG LEU 32 2.703 -4.665 11.000 261 1HD1 LEU 32 1HD1 LEU 32 3.744 -6.044 12.404 262 2HD1 LEU 32 2HD1 LEU 32 2.383 -7.168 12.397 263 3HD1 LEU 32 3HD1 LEU 32 2.417 -5.830 13.546 264 1HD2 LEU 32 1HD2 LEU 32 1.469 -7.150 10.634 265 2HD2 LEU 32 2HD2 LEU 32 1.443 -5.795 9.507 266 3HD2 LEU 32 3HD2 LEU 32 0.127 -6.007 10.666 267 H GLU 33 H GLU 33 0.251 -1.521 13.719 268 HA GLU 33 HA GLU 33 -2.471 -1.156 12.718 269 1HB GLU 33 1HB GLU 33 -0.856 0.218 14.904 270 2HB GLU 33 2HB GLU 33 -2.580 0.487 14.646 271 1HG GLU 33 1HG GLU 33 -2.876 -2.038 14.863 272 2HG GLU 33 2HG GLU 33 -1.210 -2.091 15.440 273 H GLN 34 H GLN 34 0.470 0.911 12.862 274 HA GLN 34 HA GLN 34 -0.697 3.250 11.625 275 1HB GLN 34 1HB GLN 34 2.131 2.177 11.778 276 2HB GLN 34 2HB GLN 34 1.738 3.761 11.110 277 1HG GLN 34 1HG GLN 34 0.370 3.689 13.554 278 2HG GLN 34 2HG GLN 34 1.920 2.927 13.903 279 1HE2 GLN 34 1HE2 GLN 34 0.605 5.879 12.239 280 2HE2 GLN 34 2HE2 GLN 34 1.916 6.865 12.676 281 H VAL 35 H VAL 35 0.502 0.208 10.243 282 HA VAL 35 HA VAL 35 0.391 1.398 7.510 283 HB VAL 35 HB VAL 35 1.120 -1.470 8.103 284 1HG1 VAL 35 1HG1 VAL 35 2.188 0.613 6.180 285 2HG1 VAL 35 2HG1 VAL 35 1.033 -0.662 5.784 286 3HG1 VAL 35 3HG1 VAL 35 2.686 -1.078 6.241 287 1HG2 VAL 35 1HG2 VAL 35 3.579 -0.291 8.213 288 2HG2 VAL 35 2HG2 VAL 35 2.664 -0.735 9.651 289 3HG2 VAL 35 3HG2 VAL 35 2.618 0.924 9.054 290 H GLU 36 H GLU 36 -1.144 -1.195 9.471 291 HA GLU 36 HA GLU 36 -2.829 -2.212 7.344 292 1HB GLU 36 1HB GLU 36 -2.211 -3.234 9.648 293 2HB GLU 36 2HB GLU 36 -3.523 -2.247 10.285 294 1HG GLU 36 1HG GLU 36 -4.977 -3.282 8.433 295 2HG GLU 36 2HG GLU 36 -3.682 -4.464 8.241 296 H LYS 37 H LYS 37 -3.255 0.471 9.680 297 HA LYS 37 HA LYS 37 -6.102 0.794 8.967 298 1HB LYS 37 1HB LYS 37 -4.117 2.164 10.769 299 2HB LYS 37 2HB LYS 37 -5.644 2.963 10.396 300 1HG LYS 37 1HG LYS 37 -6.736 0.694 11.042 301 2HG LYS 37 2HG LYS 37 -5.190 0.345 11.818 302 1HD LYS 37 1HD LYS 37 -5.384 2.252 13.260 303 2HD LYS 37 2HD LYS 37 -6.761 2.877 12.351 304 1HE LYS 37 1HE LYS 37 -8.154 1.008 13.071 305 2HE LYS 37 2HE LYS 37 -6.767 0.248 13.877 306 1HZ LYS 37 1HZ LYS 37 -8.141 1.599 15.405 307 2HZ LYS 37 2HZ LYS 37 -7.774 2.977 14.482 308 3HZ LYS 37 3HZ LYS 37 -6.539 2.147 15.302 309 H GLU 38 H GLU 38 -3.006 2.454 8.185 310 HA GLU 38 HA GLU 38 -4.280 4.630 6.742 311 1HB GLU 38 1HB GLU 38 -1.513 3.391 6.556 312 2HB GLU 38 2HB GLU 38 -1.971 4.916 5.813 313 1HG GLU 38 1HG GLU 38 -2.047 4.299 8.780 314 2HG GLU 38 2HG GLU 38 -0.858 5.307 7.968 315 H LEU 39 H LEU 39 -3.058 1.398 5.754 316 HA LEU 39 HA LEU 39 -3.340 1.669 2.924 317 1HB LEU 39 1HB LEU 39 -3.422 -0.565 4.912 318 2HB LEU 39 2HB LEU 39 -4.025 -0.914 3.293 319 HG LEU 39 HG LEU 39 -1.376 0.466 3.695 320 1HD1 LEU 39 1HD1 LEU 39 -0.848 -1.467 4.854 321 2HD1 LEU 39 2HD1 LEU 39 -0.570 -2.025 3.204 322 3HD1 LEU 39 3HD1 LEU 39 -2.079 -2.422 4.027 323 1HD2 LEU 39 1HD2 LEU 39 -2.109 -1.445 1.500 324 2HD2 LEU 39 2HD2 LEU 39 -1.011 -0.066 1.455 325 3HD2 LEU 39 3HD2 LEU 39 -2.755 0.196 1.458 326 H LEU 40 H LEU 40 -5.827 0.989 5.427 327 HA LEU 40 HA LEU 40 -8.002 0.289 3.716 328 1HB LEU 40 1HB LEU 40 -7.778 0.414 6.325 329 2HB LEU 40 2HB LEU 40 -8.348 2.072 6.127 330 HG LEU 40 HG LEU 40 -10.289 1.137 4.791 331 1HD1 LEU 40 1HD1 LEU 40 -10.662 -1.379 5.568 332 2HD1 LEU 40 2HD1 LEU 40 -8.900 -1.379 5.630 333 3HD1 LEU 40 3HD1 LEU 40 -9.728 -1.010 4.118 334 1HD2 LEU 40 1HD2 LEU 40 -11.568 0.638 6.749 335 2HD2 LEU 40 2HD2 LEU 40 -10.309 1.754 7.278 336 3HD2 LEU 40 3HD2 LEU 40 -10.151 0.029 7.604 337 H ARG 41 H ARG 41 -6.672 3.523 4.513 338 HA ARG 41 HA ARG 41 -8.778 5.137 3.446 339 1HB ARG 41 1HB ARG 41 -5.770 5.492 3.606 340 2HB ARG 41 2HB ARG 41 -6.833 6.771 3.018 341 1HG ARG 41 1HG ARG 41 -7.619 5.489 5.581 342 2HG ARG 41 2HG ARG 41 -6.173 6.498 5.627 343 1HD ARG 41 1HD ARG 41 -7.870 8.081 4.160 344 2HD ARG 41 2HD ARG 41 -8.997 7.295 5.284 345 HE ARG 41 HE ARG 41 -6.499 8.657 6.227 346 1HH1 ARG 41 1HH1 ARG 41 -9.019 10.284 6.180 347 2HH1 ARG 41 2HH1 ARG 41 -9.628 10.053 7.784 348 1HH2 ARG 41 1HH2 ARG 41 -7.630 7.293 8.429 349 2HH2 ARG 41 2HH2 ARG 41 -8.843 8.358 9.057 350 H VAL 42 H VAL 42 -5.957 3.641 1.783 351 HA VAL 42 HA VAL 42 -6.469 4.766 -0.820 352 HB VAL 42 HB VAL 42 -5.230 2.102 -0.016 353 1HG1 VAL 42 1HG1 VAL 42 -4.086 2.228 -2.204 354 2HG1 VAL 42 2HG1 VAL 42 -4.979 3.701 -2.586 355 3HG1 VAL 42 3HG1 VAL 42 -5.836 2.169 -2.411 356 1HG2 VAL 42 1HG2 VAL 42 -3.135 3.634 -0.609 357 2HG2 VAL 42 2HG2 VAL 42 -3.856 3.668 1.001 358 3HG2 VAL 42 3HG2 VAL 42 -4.251 4.928 -0.169 359 H GLY 43 H GLY 43 -7.748 1.806 0.771 360 1HA GLY 43 1HA GLY 43 -9.135 0.781 -1.513 361 2HA GLY 43 2HA GLY 43 -9.535 0.417 0.168 362 H GLN 44 H GLN 44 -10.243 2.915 1.179 363 HA GLN 44 HA GLN 44 -12.943 3.261 0.295 364 1HB GLN 44 1HB GLN 44 -10.976 4.871 1.899 365 2HB GLN 44 2HB GLN 44 -12.501 5.627 1.436 366 1HG GLN 44 1HG GLN 44 -12.604 2.873 2.593 367 2HG GLN 44 2HG GLN 44 -12.286 4.219 3.690 368 1HE2 GLN 44 1HE2 GLN 44 -14.399 4.275 4.719 369 2HE2 GLN 44 2HE2 GLN 44 -15.811 4.652 3.854 370 H ILE 45 H ILE 45 -9.952 4.985 -0.688 371 HA ILE 45 HA ILE 45 -11.189 6.993 -2.337 372 HB ILE 45 HB ILE 45 -8.503 5.557 -2.529 373 1HG1 ILE 45 1HG1 ILE 45 -8.901 8.365 -1.558 374 2HG1 ILE 45 2HG1 ILE 45 -9.302 7.032 -0.477 375 1HG2 ILE 45 1HG2 ILE 45 -8.927 8.309 -3.635 376 2HG2 ILE 45 2HG2 ILE 45 -9.457 6.941 -4.611 377 3HG2 ILE 45 3HG2 ILE 45 -7.770 7.074 -4.122 378 1HD1 ILE 45 1HD1 ILE 45 -6.775 8.104 -0.814 379 2HD1 ILE 45 2HD1 ILE 45 -6.725 6.671 -1.841 380 3HD1 ILE 45 3HD1 ILE 45 -7.123 6.517 -0.129 381 H LEU 46 H LEU 46 -10.176 3.624 -3.096 382 HA LEU 46 HA LEU 46 -11.086 3.885 -5.880 383 1HB LEU 46 1HB LEU 46 -9.241 2.347 -5.083 384 2HB LEU 46 2HB LEU 46 -10.481 1.364 -4.304 385 HG LEU 46 HG LEU 46 -11.594 1.023 -6.476 386 1HD1 LEU 46 1HD1 LEU 46 -11.066 3.039 -7.666 387 2HD1 LEU 46 2HD1 LEU 46 -10.273 1.730 -8.545 388 3HD1 LEU 46 3HD1 LEU 46 -9.333 2.773 -7.478 389 1HD2 LEU 46 1HD2 LEU 46 -8.622 0.427 -6.602 390 2HD2 LEU 46 2HD2 LEU 46 -9.892 -0.426 -7.480 391 3HD2 LEU 46 3HD2 LEU 46 -9.808 -0.538 -5.722 392 H LYS 47 H LYS 47 -12.551 2.866 -2.806 393 HA LYS 47 HA LYS 47 -14.820 1.497 -4.024 394 1HB LYS 47 1HB LYS 47 -14.187 2.658 -1.299 395 2HB LYS 47 2HB LYS 47 -15.789 2.010 -1.655 396 1HG LYS 47 1HG LYS 47 -14.957 -0.170 -2.020 397 2HG LYS 47 2HG LYS 47 -13.302 0.402 -2.225 398 1HD LYS 47 1HD LYS 47 -13.326 1.128 0.183 399 2HD LYS 47 2HD LYS 47 -14.901 0.349 0.348 400 1HE LYS 47 1HE LYS 47 -13.698 -1.759 -0.630 401 2HE LYS 47 2HE LYS 47 -12.212 -0.926 -0.130 402 1HZ LYS 47 1HZ LYS 47 -13.230 -2.332 1.640 403 2HZ LYS 47 2HZ LYS 47 -14.572 -1.290 1.635 404 3HZ LYS 47 3HZ LYS 47 -13.039 -0.704 2.075 405 H GLU 48 H GLU 48 -14.034 4.875 -3.126 406 HA GLU 48 HA GLU 48 -16.638 5.994 -3.262 407 1HB GLU 48 1HB GLU 48 -13.841 6.942 -3.741 408 2HB GLU 48 2HB GLU 48 -15.159 8.009 -4.230 409 1HG GLU 48 1HG GLU 48 -15.402 6.780 -1.535 410 2HG GLU 48 2HG GLU 48 -14.140 7.997 -1.725 411 HA PRO 49 HA PRO 49 -17.501 5.227 -7.582 412 1HB PRO 49 1HB PRO 49 -19.748 6.770 -7.834 413 2HB PRO 49 2HB PRO 49 -19.746 5.180 -7.045 414 1HG PRO 49 1HG PRO 49 -19.690 7.896 -5.829 415 2HG PRO 49 2HG PRO 49 -20.566 6.446 -5.313 416 1HD PRO 49 1HD PRO 49 -18.269 7.298 -4.135 417 2HD PRO 49 2HD PRO 49 -18.758 5.590 -4.198 418 H LYS 50 H LYS 50 -17.378 8.571 -6.284 419 HA LYS 50 HA LYS 50 -17.031 9.765 -8.958 420 1HB LYS 50 1HB LYS 50 -16.629 10.831 -6.136 421 2HB LYS 50 2HB LYS 50 -16.560 11.823 -7.594 422 1HG LYS 50 1HG LYS 50 -18.831 11.709 -7.951 423 2HG LYS 50 2HG LYS 50 -18.969 10.104 -7.231 424 1HD LYS 50 1HD LYS 50 -18.289 11.392 -5.018 425 2HD LYS 50 2HD LYS 50 -18.931 12.784 -5.892 426 1HE LYS 50 1HE LYS 50 -21.098 11.989 -5.833 427 2HE LYS 50 2HE LYS 50 -20.584 10.292 -5.911 428 1HZ LYS 50 1HZ LYS 50 -19.805 10.400 -3.671 429 2HZ LYS 50 2HZ LYS 50 -21.401 10.983 -3.683 430 3HZ LYS 50 3HZ LYS 50 -20.098 12.068 -3.580 431 H MET 51 H MET 51 -14.939 8.737 -6.250 432 HA MET 51 HA MET 51 -12.493 9.725 -7.572 433 1HB MET 51 1HB MET 51 -12.864 9.696 -5.095 434 2HB MET 51 2HB MET 51 -12.881 7.935 -5.156 435 1HG MET 51 1HG MET 51 -10.670 8.685 -4.520 436 2HG MET 51 2HG MET 51 -10.595 7.985 -6.135 437 1HE MET 51 1HE MET 51 -8.910 8.597 -7.011 438 2HE MET 51 2HE MET 51 -7.949 9.928 -6.372 439 3HE MET 51 3HE MET 51 -8.709 10.081 -7.954 440 H ALA 52 H ALA 52 -14.251 6.624 -7.281 441 HA ALA 52 HA ALA 52 -12.172 4.830 -8.065 442 1HB ALA 52 1HB ALA 52 -15.162 4.859 -8.611 443 2HB ALA 52 2HB ALA 52 -14.321 4.006 -7.317 444 3HB ALA 52 3HB ALA 52 -14.132 3.477 -8.988 445 H ALA 53 H ALA 53 -14.324 6.872 -10.087 446 HA ALA 53 HA ALA 53 -13.547 5.848 -12.646 447 1HB ALA 53 1HB ALA 53 -14.089 8.775 -12.204 448 2HB ALA 53 2HB ALA 53 -15.365 7.600 -11.884 449 3HB ALA 53 3HB ALA 53 -14.664 7.723 -13.498 450 H SER 54 H SER 54 -11.845 8.142 -10.492 451 HA SER 54 HA SER 54 -9.840 8.674 -12.644 452 1HB SER 54 1HB SER 54 -10.068 9.813 -9.839 453 2HB SER 54 2HB SER 54 -9.097 10.457 -11.160 454 HG SER 54 HG SER 54 -11.272 11.411 -10.738 455 H LEU 55 H LEU 55 -10.006 7.312 -9.308 456 HA LEU 55 HA LEU 55 -7.215 6.812 -8.969 457 1HB LEU 55 1HB LEU 55 -9.275 6.479 -7.373 458 2HB LEU 55 2HB LEU 55 -9.309 4.848 -8.046 459 HG LEU 55 HG LEU 55 -6.823 4.709 -7.482 460 1HD1 LEU 55 1HD1 LEU 55 -6.283 6.300 -5.497 461 2HD1 LEU 55 2HD1 LEU 55 -7.588 7.296 -6.140 462 3HD1 LEU 55 3HD1 LEU 55 -6.175 6.945 -7.135 463 1HD2 LEU 55 1HD2 LEU 55 -9.062 4.093 -6.008 464 2HD2 LEU 55 2HD2 LEU 55 -8.152 5.085 -4.873 465 3HD2 LEU 55 3HD2 LEU 55 -7.419 3.639 -5.563 466 H LEU 56 H LEU 56 -9.683 4.905 -10.747 467 HA LEU 56 HA LEU 56 -7.476 3.082 -11.645 468 1HB LEU 56 1HB LEU 56 -9.758 2.449 -10.332 469 2HB LEU 56 2HB LEU 56 -10.346 2.370 -11.993 470 HG LEU 56 HG LEU 56 -7.876 0.931 -10.978 471 1HD1 LEU 56 1HD1 LEU 56 -9.876 -0.024 -9.961 472 2HD1 LEU 56 2HD1 LEU 56 -9.300 -1.110 -11.226 473 3HD1 LEU 56 3HD1 LEU 56 -10.688 -0.065 -11.527 474 1HD2 LEU 56 1HD2 LEU 56 -8.014 -0.243 -13.144 475 2HD2 LEU 56 2HD2 LEU 56 -7.857 1.496 -13.395 476 3HD2 LEU 56 3HD2 LEU 56 -9.428 0.716 -13.581 477 H ASN 57 H ASN 57 -7.895 5.668 -12.945 478 HA ASN 57 HA ASN 57 -9.338 4.919 -15.447 479 1HB ASN 57 1HB ASN 57 -9.269 7.213 -13.887 480 2HB ASN 57 2HB ASN 57 -8.180 7.615 -15.213 481 1HD2 ASN 57 1HD2 ASN 57 -9.729 9.114 -16.233 482 2HD2 ASN 57 2HD2 ASN 57 -11.136 8.536 -16.983 483 HA PRO 58 HA PRO 58 -5.207 4.378 -17.133 484 1HB PRO 58 1HB PRO 58 -5.945 3.486 -19.603 485 2HB PRO 58 2HB PRO 58 -5.970 2.457 -18.158 486 1HG PRO 58 1HG PRO 58 -8.205 3.724 -19.608 487 2HG PRO 58 2HG PRO 58 -8.168 2.227 -18.669 488 1HD PRO 58 1HD PRO 58 -9.193 4.689 -17.820 489 2HD PRO 58 2HD PRO 58 -8.843 3.285 -16.793 490 H TYR 59 H TYR 59 -7.332 6.878 -17.792 491 HA TYR 59 HA TYR 59 -6.045 7.839 -20.273 492 1HB TYR 59 1HB TYR 59 -8.300 8.807 -18.482 493 2HB TYR 59 2HB TYR 59 -7.790 9.658 -19.946 494 HD1 TYR 59 HD1 TYR 59 -8.315 8.809 -22.140 495 HD2 TYR 59 HD2 TYR 59 -9.262 6.507 -18.632 496 HE1 TYR 59 HE1 TYR 59 -9.695 7.276 -23.515 497 HE2 TYR 59 HE2 TYR 59 -10.637 4.978 -20.011 498 HH TYR 59 HH TYR 59 -10.433 4.564 -23.063 499 H VAL 60 H VAL 60 -6.160 8.607 -16.764 500 HA VAL 60 HA VAL 60 -4.988 11.178 -16.776 501 HB VAL 60 HB VAL 60 -4.613 8.862 -14.840 502 1HG1 VAL 60 1HG1 VAL 60 -3.907 10.505 -13.199 503 2HG1 VAL 60 2HG1 VAL 60 -4.149 11.819 -14.350 504 3HG1 VAL 60 3HG1 VAL 60 -2.856 10.650 -14.608 505 1HG2 VAL 60 1HG2 VAL 60 -6.272 10.596 -13.622 506 2HG2 VAL 60 2HG2 VAL 60 -6.856 9.318 -14.688 507 3HG2 VAL 60 3HG2 VAL 60 -6.671 10.961 -15.301 508 H LYS 61 H LYS 61 -2.796 8.459 -15.819 509 HA LYS 61 HA LYS 61 -0.955 8.618 -17.984 510 1HB LYS 61 1HB LYS 61 -0.963 10.901 -16.163 511 2HB LYS 61 2HB LYS 61 0.617 10.121 -16.187 512 1HG LYS 61 1HG LYS 61 1.029 10.724 -18.348 513 2HG LYS 61 2HG LYS 61 -0.644 10.467 -18.843 514 1HD LYS 61 1HD LYS 61 -1.286 12.613 -18.290 515 2HD LYS 61 2HD LYS 61 -0.087 12.752 -17.005 516 1HE LYS 61 1HE LYS 61 1.609 13.382 -18.468 517 2HE LYS 61 2HE LYS 61 0.875 12.532 -19.843 518 1HZ LYS 61 1HZ LYS 61 0.593 15.001 -19.891 519 2HZ LYS 61 2HZ LYS 61 -0.375 14.867 -18.502 520 3HZ LYS 61 3HZ LYS 61 -0.860 14.129 -19.954 521 H ARG 62 H ARG 62 1.496 8.179 -16.933 522 HA ARG 62 HA ARG 62 1.053 5.911 -15.027 523 1HB ARG 62 1HB ARG 62 2.251 5.855 -17.388 524 2HB ARG 62 2HB ARG 62 3.627 6.477 -16.475 525 1HG ARG 62 1HG ARG 62 2.073 3.994 -15.695 526 2HG ARG 62 2HG ARG 62 3.565 3.963 -16.633 527 1HD ARG 62 1HD ARG 62 4.289 5.568 -14.515 528 2HD ARG 62 2HD ARG 62 3.192 4.405 -13.741 529 HE ARG 62 HE ARG 62 4.704 2.654 -14.309 530 1HH1 ARG 62 1HH1 ARG 62 6.788 4.838 -13.917 531 2HH1 ARG 62 2HH1 ARG 62 7.747 4.649 -15.346 532 1HH2 ARG 62 1HH2 ARG 62 5.376 2.739 -17.006 533 2HH2 ARG 62 2HH2 ARG 62 6.948 3.461 -17.094 534 H SER 63 H SER 63 3.289 8.703 -15.569 535 HA SER 63 HA SER 63 4.276 8.426 -12.769 536 1HB SER 63 1HB SER 63 5.941 8.787 -14.489 537 2HB SER 63 2HB SER 63 5.049 10.159 -15.138 538 HG SER 63 HG SER 63 6.542 11.073 -13.852 539 H VAL 64 H VAL 64 2.455 10.752 -14.824 540 HA VAL 64 HA VAL 64 2.277 12.885 -12.911 541 HB VAL 64 HB VAL 64 0.271 11.979 -15.016 542 1HG1 VAL 64 1HG1 VAL 64 0.479 14.394 -13.262 543 2HG1 VAL 64 2HG1 VAL 64 -0.957 13.548 -13.837 544 3HG1 VAL 64 3HG1 VAL 64 -0.074 14.622 -14.921 545 1HG2 VAL 64 1HG2 VAL 64 2.782 13.626 -15.075 546 2HG2 VAL 64 2HG2 VAL 64 1.473 14.021 -16.188 547 3HG2 VAL 64 3HG2 VAL 64 2.212 12.421 -16.231 548 H LYS 65 H LYS 65 -0.019 10.151 -13.501 549 HA LYS 65 HA LYS 65 -1.877 10.775 -11.423 550 1HB LYS 65 1HB LYS 65 -1.816 8.907 -13.297 551 2HB LYS 65 2HB LYS 65 -1.097 7.929 -12.018 552 1HG LYS 65 1HG LYS 65 -3.527 9.487 -11.296 553 2HG LYS 65 2HG LYS 65 -3.761 8.107 -12.369 554 1HD LYS 65 1HD LYS 65 -2.131 6.960 -10.560 555 2HD LYS 65 2HD LYS 65 -2.893 8.166 -9.523 556 1HE LYS 65 1HE LYS 65 -4.405 6.385 -9.329 557 2HE LYS 65 2HE LYS 65 -5.117 7.279 -10.687 558 1HZ LYS 65 1HZ LYS 65 -3.831 5.924 -12.216 559 2HZ LYS 65 2HZ LYS 65 -4.815 4.936 -11.244 560 3HZ LYS 65 3HZ LYS 65 -3.151 5.062 -10.924 561 H VAL 66 H VAL 66 1.224 8.966 -11.257 562 HA VAL 66 HA VAL 66 0.967 8.110 -8.511 563 HB VAL 66 HB VAL 66 3.440 8.791 -10.154 564 1HG1 VAL 66 1HG1 VAL 66 4.277 6.869 -8.482 565 2HG1 VAL 66 2HG1 VAL 66 3.033 7.580 -7.455 566 3HG1 VAL 66 3HG1 VAL 66 4.361 8.577 -8.050 567 1HG2 VAL 66 1HG2 VAL 66 3.288 6.713 -11.105 568 2HG2 VAL 66 2HG2 VAL 66 1.574 6.900 -10.738 569 3HG2 VAL 66 3HG2 VAL 66 2.613 5.984 -9.649 570 H LYS 67 H LYS 67 2.312 11.113 -9.964 571 HA LYS 67 HA LYS 67 3.345 12.302 -7.579 572 1HB LYS 67 1HB LYS 67 3.503 13.082 -10.031 573 2HB LYS 67 2HB LYS 67 1.919 13.817 -9.783 574 1HG LYS 67 1HG LYS 67 2.733 15.315 -8.156 575 2HG LYS 67 2HG LYS 67 4.188 14.358 -7.874 576 1HD LYS 67 1HD LYS 67 5.220 15.101 -9.831 577 2HD LYS 67 2HD LYS 67 3.687 15.520 -10.598 578 1HE LYS 67 1HE LYS 67 4.741 17.604 -9.979 579 2HE LYS 67 2HE LYS 67 3.443 17.334 -8.798 580 1HZ LYS 67 1HZ LYS 67 5.085 16.200 -7.376 581 2HZ LYS 67 2HZ LYS 67 5.470 17.836 -7.628 582 3HZ LYS 67 3HZ LYS 67 6.310 16.623 -8.469 583 H SER 68 H SER 68 -0.012 12.246 -8.850 584 HA SER 68 HA SER 68 -1.190 14.130 -7.056 585 1HB SER 68 1HB SER 68 -2.469 13.245 -8.893 586 2HB SER 68 2HB SER 68 -2.233 11.588 -8.343 587 HG SER 68 HG SER 68 -3.784 13.650 -7.172 588 H LEU 69 H LEU 69 -0.431 10.654 -6.556 589 HA LEU 69 HA LEU 69 -1.768 10.348 -4.030 590 1HB LEU 69 1HB LEU 69 0.495 9.011 -5.473 591 2HB LEU 69 2HB LEU 69 0.276 8.632 -3.764 592 HG LEU 69 HG LEU 69 -1.907 8.443 -5.861 593 1HD1 LEU 69 1HD1 LEU 69 -0.483 6.170 -4.465 594 2HD1 LEU 69 2HD1 LEU 69 0.027 6.779 -6.039 595 3HD1 LEU 69 3HD1 LEU 69 -1.579 6.078 -5.844 596 1HD2 LEU 69 1HD2 LEU 69 -1.769 8.118 -2.905 597 2HD2 LEU 69 2HD2 LEU 69 -2.721 6.920 -3.782 598 3HD2 LEU 69 3HD2 LEU 69 -3.118 8.633 -3.916 599 H SER 70 H SER 70 1.616 11.363 -4.764 600 HA SER 70 HA SER 70 2.454 11.701 -2.031 601 1HB SER 70 1HB SER 70 3.705 11.852 -4.397 602 2HB SER 70 2HB SER 70 3.420 13.575 -4.165 603 HG SER 70 HG SER 70 5.425 12.564 -3.257 604 H ASP 71 H ASP 71 1.007 14.066 -4.339 605 HA ASP 71 HA ASP 71 0.932 16.241 -2.412 606 1HB ASP 71 1HB ASP 71 -0.619 15.683 -4.964 607 2HB ASP 71 2HB ASP 71 -0.707 17.211 -4.087 608 H MET 72 H MET 72 -1.153 13.433 -2.884 609 HA MET 72 HA MET 72 -3.393 14.661 -1.365 610 1HB MET 72 1HB MET 72 -3.580 12.954 -3.308 611 2HB MET 72 2HB MET 72 -3.025 11.750 -2.145 612 1HG MET 72 1HG MET 72 -4.922 12.616 -0.624 613 2HG MET 72 2HG MET 72 -5.558 13.390 -2.075 614 1HE MET 72 1HE MET 72 -3.838 10.520 -0.768 615 2HE MET 72 2HE MET 72 -3.988 9.312 -2.042 616 3HE MET 72 3HE MET 72 -5.091 9.276 -0.670 617 H THR 73 H THR 73 -0.889 12.118 -1.008 618 HA THR 73 HA THR 73 -1.452 11.285 1.657 619 HB THR 73 HB THR 73 0.960 11.434 -0.145 620 HG1 THR 73 HG1 THR 73 0.711 9.268 -0.109 621 1HG2 THR 73 1HG2 THR 73 2.020 9.957 1.814 622 2HG2 THR 73 2HG2 THR 73 1.053 11.055 2.801 623 3HG2 THR 73 3HG2 THR 73 2.272 11.699 1.702 624 H ALA 74 H ALA 74 0.359 14.163 0.456 625 HA ALA 74 HA ALA 74 1.384 15.066 2.987 626 1HB ALA 74 1HB ALA 74 1.157 17.374 1.781 627 2HB ALA 74 2HB ALA 74 0.575 16.428 0.410 628 3HB ALA 74 3HB ALA 74 2.198 16.155 1.045 629 H LYS 75 H LYS 75 -1.806 15.598 1.418 630 HA LYS 75 HA LYS 75 -2.749 17.243 3.698 631 1HB LYS 75 1HB LYS 75 -4.042 16.175 1.166 632 2HB LYS 75 2HB LYS 75 -4.901 17.171 2.341 633 1HG LYS 75 1HG LYS 75 -3.672 19.068 1.842 634 2HG LYS 75 2HG LYS 75 -2.261 18.145 1.321 635 1HD LYS 75 1HD LYS 75 -3.010 18.749 -0.759 636 2HD LYS 75 2HD LYS 75 -4.034 17.328 -0.544 637 1HE LYS 75 1HE LYS 75 -5.044 19.916 0.564 638 2HE LYS 75 2HE LYS 75 -5.097 19.694 -1.196 639 1HZ LYS 75 1HZ LYS 75 -6.102 17.731 0.797 640 2HZ LYS 75 2HZ LYS 75 -6.193 17.585 -0.893 641 3HZ LYS 75 3HZ LYS 75 -7.083 18.790 -0.093 642 H GLU 76 H GLU 76 -3.177 13.907 2.445 643 HA GLU 76 HA GLU 76 -5.302 13.132 4.234 644 1HB GLU 76 1HB GLU 76 -3.122 11.621 2.777 645 2HB GLU 76 2HB GLU 76 -4.344 10.796 3.745 646 1HG GLU 76 1HG GLU 76 -5.186 12.808 1.676 647 2HG GLU 76 2HG GLU 76 -4.779 11.163 1.186 648 H LYS 77 H LYS 77 -1.874 13.666 4.892 649 HA LYS 77 HA LYS 77 -0.670 13.473 6.893 650 1HB LYS 77 1HB LYS 77 -3.233 14.162 7.580 651 2HB LYS 77 2HB LYS 77 -3.039 12.654 8.474 652 1HG LYS 77 1HG LYS 77 -2.099 14.042 10.034 653 2HG LYS 77 2HG LYS 77 -0.663 13.816 9.035 654 1HD LYS 77 1HD LYS 77 -0.831 16.165 9.277 655 2HD LYS 77 2HD LYS 77 -1.518 15.845 7.683 656 1HE LYS 77 1HE LYS 77 -3.801 15.704 8.894 657 2HE LYS 77 2HE LYS 77 -2.974 16.495 10.252 658 1HZ LYS 77 1HZ LYS 77 -3.849 18.182 8.806 659 2HZ LYS 77 2HZ LYS 77 -3.117 17.470 7.447 660 3HZ LYS 77 3HZ LYS 77 -2.159 18.176 8.659 661 H PHE 78 H PHE 78 -0.750 11.199 5.186 662 HA PHE 78 HA PHE 78 -1.526 8.742 6.437 663 1HB PHE 78 1HB PHE 78 0.331 9.597 4.283 664 2HB PHE 78 2HB PHE 78 0.698 8.034 5.008 665 HD1 PHE 78 HD1 PHE 78 -1.742 6.782 5.652 666 HD2 PHE 78 HD2 PHE 78 -0.915 9.356 2.311 667 HE1 PHE 78 HE1 PHE 78 -3.623 5.759 4.395 668 HE2 PHE 78 HE2 PHE 78 -2.789 8.325 1.053 669 HZ PHE 78 HZ PHE 78 -4.144 6.527 2.097 670 H SER 79 H SER 79 0.589 7.082 6.927 671 HA SER 79 HA SER 79 1.902 8.411 9.245 672 1HB SER 79 1HB SER 79 1.568 6.412 10.370 673 2HB SER 79 2HB SER 79 0.239 6.316 9.226 674 HG SER 79 HG SER 79 1.302 4.431 8.975 675 HA PRO 80 HA PRO 80 5.846 7.424 7.612 676 1HB PRO 80 1HB PRO 80 7.189 5.816 9.347 677 2HB PRO 80 2HB PRO 80 6.850 7.528 9.656 678 1HG PRO 80 1HG PRO 80 5.546 5.118 10.761 679 2HG PRO 80 2HG PRO 80 5.819 6.700 11.503 680 1HD PRO 80 1HD PRO 80 3.427 5.810 10.440 681 2HD PRO 80 2HD PRO 80 3.837 7.507 10.762 682 H LEU 81 H LEU 81 3.697 4.744 7.846 683 HA LEU 81 HA LEU 81 5.571 3.106 6.196 684 1HB LEU 81 1HB LEU 81 3.556 2.510 8.339 685 2HB LEU 81 2HB LEU 81 3.834 1.305 7.071 686 HG LEU 81 HG LEU 81 6.280 2.508 8.250 687 1HD1 LEU 81 1HD1 LEU 81 4.864 0.370 9.820 688 2HD1 LEU 81 2HD1 LEU 81 4.563 2.073 10.156 689 3HD1 LEU 81 3HD1 LEU 81 6.190 1.415 10.321 690 1HD2 LEU 81 1HD2 LEU 81 6.718 0.785 6.736 691 2HD2 LEU 81 2HD2 LEU 81 5.317 -0.156 7.246 692 3HD2 LEU 81 3HD2 LEU 81 6.751 -0.083 8.270 693 H THR 82 H THR 82 3.225 5.277 5.611 694 HA THR 82 HA THR 82 1.874 3.503 3.638 695 HB THR 82 HB THR 82 0.573 5.930 4.888 696 HG1 THR 82 HG1 THR 82 1.004 4.790 6.672 697 1HG2 THR 82 1HG2 THR 82 -1.034 5.180 3.472 698 2HG2 THR 82 2HG2 THR 82 -1.160 3.737 4.469 699 3HG2 THR 82 3HG2 THR 82 -0.103 3.747 3.068 700 H SER 83 H SER 83 4.198 5.834 3.598 701 HA SER 83 HA SER 83 3.007 7.143 1.181 702 1HB SER 83 1HB SER 83 5.348 8.173 2.810 703 2HB SER 83 2HB SER 83 4.280 9.084 1.745 704 HG SER 83 HG SER 83 3.725 9.430 3.912 705 H ASN 84 H ASN 84 4.226 4.533 1.231 706 HA ASN 84 HA ASN 84 6.445 4.963 -0.718 707 1HB ASN 84 1HB ASN 84 6.469 3.404 1.879 708 2HB ASN 84 2HB ASN 84 7.509 2.911 0.542 709 1HD2 ASN 84 1HD2 ASN 84 8.708 5.052 -0.482 710 2HD2 ASN 84 2HD2 ASN 84 9.413 6.052 0.695 711 H LEU 85 H LEU 85 4.673 2.359 1.042 712 HA LEU 85 HA LEU 85 4.322 0.612 -1.213 713 1HB LEU 85 1HB LEU 85 3.926 -0.120 1.097 714 2HB LEU 85 2HB LEU 85 2.665 1.091 1.308 715 HG LEU 85 HG LEU 85 1.326 -0.031 -0.466 716 1HD1 LEU 85 1HD1 LEU 85 3.254 -1.032 -1.679 717 2HD1 LEU 85 2HD1 LEU 85 2.024 -2.234 -1.286 718 3HD1 LEU 85 3HD1 LEU 85 3.503 -2.140 -0.330 719 1HD2 LEU 85 1HD2 LEU 85 1.281 -0.639 2.055 720 2HD2 LEU 85 2HD2 LEU 85 2.145 -2.100 1.575 721 3HD2 LEU 85 3HD2 LEU 85 0.537 -1.772 0.928 722 H ILE 86 H ILE 86 2.636 3.624 -0.198 723 HA ILE 86 HA ILE 86 0.255 3.318 -1.747 724 HB ILE 86 HB ILE 86 0.730 5.100 -0.037 725 1HG1 ILE 86 1HG1 ILE 86 0.070 6.730 -2.408 726 2HG1 ILE 86 2HG1 ILE 86 -0.863 5.240 -2.278 727 1HG2 ILE 86 1HG2 ILE 86 1.978 7.114 -0.764 728 2HG2 ILE 86 2HG2 ILE 86 2.397 6.299 -2.271 729 3HG2 ILE 86 3HG2 ILE 86 3.011 5.685 -0.736 730 1HD1 ILE 86 1HD1 ILE 86 -1.924 5.906 -0.358 731 2HD1 ILE 86 2HD1 ILE 86 -1.585 7.506 -1.019 732 3HD1 ILE 86 3HD1 ILE 86 -0.529 6.822 0.218 733 H ASN 87 H ASN 87 3.534 4.420 -2.708 734 HA ASN 87 HA ASN 87 2.780 5.226 -5.397 735 1HB ASN 87 1HB ASN 87 4.932 5.780 -4.151 736 2HB ASN 87 2HB ASN 87 5.452 4.121 -4.456 737 1HD2 ASN 87 1HD2 ASN 87 6.684 6.636 -5.572 738 2HD2 ASN 87 2HD2 ASN 87 6.568 6.480 -7.258 739 H LEU 88 H LEU 88 4.196 2.176 -4.093 740 HA LEU 88 HA LEU 88 4.316 0.642 -6.466 741 1HB LEU 88 1HB LEU 88 4.000 0.111 -3.560 742 2HB LEU 88 2HB LEU 88 3.489 -1.205 -4.617 743 HG LEU 88 HG LEU 88 6.070 0.083 -5.317 744 1HD1 LEU 88 1HD1 LEU 88 5.647 -1.556 -2.807 745 2HD1 LEU 88 2HD1 LEU 88 6.406 0.031 -2.944 746 3HD1 LEU 88 3HD1 LEU 88 7.221 -1.394 -3.588 747 1HD2 LEU 88 1HD2 LEU 88 5.624 -1.768 -6.645 748 2HD2 LEU 88 2HD2 LEU 88 4.776 -2.619 -5.353 749 3HD2 LEU 88 3HD2 LEU 88 6.538 -2.539 -5.348 750 H LEU 89 H LEU 89 1.471 1.223 -4.342 751 HA LEU 89 HA LEU 89 -0.335 -0.535 -5.736 752 1HB LEU 89 1HB LEU 89 -0.555 1.812 -3.893 753 2HB LEU 89 2HB LEU 89 -2.004 1.355 -4.788 754 HG LEU 89 HG LEU 89 -0.343 -0.579 -3.152 755 1HD1 LEU 89 1HD1 LEU 89 -3.090 0.236 -2.335 756 2HD1 LEU 89 2HD1 LEU 89 -1.797 1.399 -2.049 757 3HD1 LEU 89 3HD1 LEU 89 -1.706 -0.212 -1.338 758 1HD2 LEU 89 1HD2 LEU 89 -1.505 -1.830 -4.765 759 2HD2 LEU 89 2HD2 LEU 89 -2.892 -0.743 -4.747 760 3HD2 LEU 89 3HD2 LEU 89 -2.617 -1.844 -3.396 761 H ALA 90 H ALA 90 0.531 2.906 -6.287 762 HA ALA 90 HA ALA 90 -1.132 2.839 -8.781 763 1HB ALA 90 1HB ALA 90 -0.884 5.337 -8.594 764 2HB ALA 90 2HB ALA 90 0.026 5.087 -7.104 765 3HB ALA 90 3HB ALA 90 -1.668 4.607 -7.192 766 H GLU 91 H GLU 91 1.690 1.640 -8.464 767 HA GLU 91 HA GLU 91 3.232 3.502 -10.238 768 1HB GLU 91 1HB GLU 91 4.291 2.664 -8.161 769 2HB GLU 91 2HB GLU 91 4.049 1.005 -8.706 770 1HG GLU 91 1HG GLU 91 6.323 1.622 -9.235 771 2HG GLU 91 2HG GLU 91 5.421 1.573 -10.750 772 H ASN 92 H ASN 92 2.209 0.028 -10.063 773 HA ASN 92 HA ASN 92 2.772 -0.136 -13.009 774 1HB ASN 92 1HB ASN 92 2.801 -2.136 -10.742 775 2HB ASN 92 2HB ASN 92 2.842 -2.638 -12.432 776 1HD2 ASN 92 1HD2 ASN 92 5.046 -2.868 -10.345 777 2HD2 ASN 92 2HD2 ASN 92 6.362 -2.032 -11.015 778 H GLY 93 H GLY 93 0.173 0.855 -11.728 779 1HA GLY 93 1HA GLY 93 -2.092 0.613 -12.282 780 2HA GLY 93 2HA GLY 93 -1.635 -0.709 -13.362 781 H ARG 94 H ARG 94 -1.242 -0.260 -9.805 782 HA ARG 94 HA ARG 94 -2.414 -2.991 -9.492 783 1HB ARG 94 1HB ARG 94 -0.054 -2.039 -8.647 784 2HB ARG 94 2HB ARG 94 -1.042 -1.549 -7.272 785 1HG ARG 94 1HG ARG 94 -0.515 -3.680 -6.576 786 2HG ARG 94 2HG ARG 94 -1.951 -4.054 -7.529 787 1HD ARG 94 1HD ARG 94 -0.026 -4.095 -9.476 788 2HD ARG 94 2HD ARG 94 0.879 -4.709 -8.078 789 HE ARG 94 HE ARG 94 -0.676 -6.539 -7.911 790 1HH1 ARG 94 1HH1 ARG 94 -0.314 -6.166 -10.970 791 2HH1 ARG 94 2HH1 ARG 94 -1.955 -6.350 -11.496 792 1HH2 ARG 94 1HH2 ARG 94 -3.295 -5.958 -8.322 793 2HH2 ARG 94 2HH2 ARG 94 -3.642 -6.232 -9.997 794 H LEU 95 H LEU 95 -4.129 -0.518 -9.818 795 HA LEU 95 HA LEU 95 -5.310 -0.357 -7.067 796 1HB LEU 95 1HB LEU 95 -5.435 1.375 -9.549 797 2HB LEU 95 2HB LEU 95 -6.542 1.611 -8.196 798 HG LEU 95 HG LEU 95 -3.532 1.550 -7.874 799 1HD1 LEU 95 1HD1 LEU 95 -3.782 3.487 -9.144 800 2HD1 LEU 95 2HD1 LEU 95 -4.026 4.116 -7.514 801 3HD1 LEU 95 3HD1 LEU 95 -5.414 3.787 -8.550 802 1HD2 LEU 95 1HD2 LEU 95 -4.680 1.092 -5.812 803 2HD2 LEU 95 2HD2 LEU 95 -5.860 2.367 -6.115 804 3HD2 LEU 95 3HD2 LEU 95 -4.186 2.784 -5.743 805 H THR 96 H THR 96 -5.660 -2.666 -9.006 806 HA THR 96 HA THR 96 -8.610 -2.468 -9.513 807 HB THR 96 HB THR 96 -8.187 -4.344 -11.071 808 HG1 THR 96 HG1 THR 96 -6.149 -5.187 -11.266 809 1HG2 THR 96 1HG2 THR 96 -7.379 -2.992 -12.713 810 2HG2 THR 96 2HG2 THR 96 -5.918 -2.603 -11.806 811 3HG2 THR 96 3HG2 THR 96 -7.422 -1.752 -11.460 812 H ASN 97 H ASN 97 -6.055 -4.764 -8.388 813 HA ASN 97 HA ASN 97 -8.079 -6.071 -6.617 814 1HB ASN 97 1HB ASN 97 -5.298 -6.872 -7.564 815 2HB ASN 97 2HB ASN 97 -6.329 -7.863 -6.528 816 1HD2 ASN 97 1HD2 ASN 97 -5.674 -6.991 -9.844 817 2HD2 ASN 97 2HD2 ASN 97 -6.972 -7.841 -10.531 818 H THR 98 H THR 98 -6.947 -3.393 -5.973 819 HA THR 98 HA THR 98 -4.745 -3.720 -4.137 820 HB THR 98 HB THR 98 -5.324 -1.617 -5.340 821 HG1 THR 98 HG1 THR 98 -4.721 -0.346 -3.644 822 1HG2 THR 98 1HG2 THR 98 -7.639 -1.624 -3.391 823 2HG2 THR 98 2HG2 THR 98 -7.717 -1.549 -5.152 824 3HG2 THR 98 3HG2 THR 98 -7.093 -0.177 -4.238 825 HA PRO 99 HA PRO 99 -8.132 -3.570 -0.722 826 1HB PRO 99 1HB PRO 99 -10.389 -5.049 -1.200 827 2HB PRO 99 2HB PRO 99 -10.289 -3.301 -1.493 828 1HG PRO 99 1HG PRO 99 -10.072 -5.558 -3.419 829 2HG PRO 99 2HG PRO 99 -10.874 -3.990 -3.601 830 1HD PRO 99 1HD PRO 99 -8.469 -4.551 -4.679 831 2HD PRO 99 2HD PRO 99 -8.936 -2.919 -4.180 832 H ALA 100 H ALA 100 -7.944 -6.447 -2.875 833 HA ALA 100 HA ALA 100 -7.994 -8.452 -0.807 834 1HB ALA 100 1HB ALA 100 -6.320 -8.610 -3.328 835 2HB ALA 100 2HB ALA 100 -8.080 -8.689 -3.390 836 3HB ALA 100 3HB ALA 100 -7.174 -9.916 -2.505 837 H VAL 101 H VAL 101 -5.282 -6.556 -2.213 838 HA VAL 101 HA VAL 101 -3.142 -7.847 -0.792 839 HB VAL 101 HB VAL 101 -3.458 -4.959 -1.703 840 1HG1 VAL 101 1HG1 VAL 101 -0.906 -6.509 -1.182 841 2HG1 VAL 101 2HG1 VAL 101 -1.602 -5.360 -0.041 842 3HG1 VAL 101 3HG1 VAL 101 -1.044 -4.807 -1.621 843 1HG2 VAL 101 1HG2 VAL 101 -3.506 -7.204 -3.260 844 2HG2 VAL 101 2HG2 VAL 101 -1.775 -6.875 -3.212 845 3HG2 VAL 101 3HG2 VAL 101 -2.890 -5.645 -3.806 846 H ILE 102 H ILE 102 -5.407 -5.255 0.218 847 HA ILE 102 HA ILE 102 -3.978 -4.652 2.696 848 HB ILE 102 HB ILE 102 -6.862 -4.165 1.848 849 1HG1 ILE 102 1HG1 ILE 102 -4.564 -2.198 1.869 850 2HG1 ILE 102 2HG1 ILE 102 -4.933 -3.176 0.452 851 1HG2 ILE 102 1HG2 ILE 102 -5.236 -3.317 4.224 852 2HG2 ILE 102 2HG2 ILE 102 -6.934 -3.786 4.144 853 3HG2 ILE 102 3HG2 ILE 102 -6.430 -2.199 3.566 854 1HD1 ILE 102 1HD1 ILE 102 -6.986 -2.132 0.095 855 2HD1 ILE 102 2HD1 ILE 102 -6.019 -0.791 0.709 856 3HD1 ILE 102 3HD1 ILE 102 -7.137 -1.633 1.780 857 H SER 103 H SER 103 -6.733 -6.808 1.852 858 HA SER 103 HA SER 103 -7.418 -7.587 4.534 859 1HB SER 103 1HB SER 103 -7.570 -9.059 1.880 860 2HB SER 103 2HB SER 103 -8.299 -9.668 3.363 861 HG SER 103 HG SER 103 -9.679 -7.973 3.384 862 H ALA 104 H ALA 104 -5.083 -9.057 2.212 863 HA ALA 104 HA ALA 104 -4.205 -11.220 3.863 864 1HB ALA 104 1HB ALA 104 -2.449 -9.551 2.033 865 2HB ALA 104 2HB ALA 104 -3.622 -10.722 1.431 866 3HB ALA 104 3HB ALA 104 -2.267 -11.261 2.421 867 H PHE 105 H PHE 105 -3.288 -7.759 3.930 868 HA PHE 105 HA PHE 105 -0.992 -7.889 5.609 869 1HB PHE 105 1HB PHE 105 -2.012 -5.868 4.442 870 2HB PHE 105 2HB PHE 105 -3.204 -5.810 5.738 871 HD1 PHE 105 HD1 PHE 105 -0.010 -4.702 4.692 872 HD2 PHE 105 HD2 PHE 105 -2.213 -5.818 8.197 873 HE1 PHE 105 HE1 PHE 105 1.588 -3.447 6.096 874 HE2 PHE 105 HE2 PHE 105 -0.615 -4.563 9.597 875 HZ PHE 105 HZ PHE 105 1.292 -3.394 8.550 876 H SER 106 H SER 106 -4.476 -7.845 6.509 877 HA SER 106 HA SER 106 -3.993 -7.776 9.373 878 1HB SER 106 1HB SER 106 -6.334 -8.732 7.690 879 2HB SER 106 2HB SER 106 -6.391 -8.628 9.447 880 HG SER 106 HG SER 106 -7.141 -6.742 8.166 881 H THR 107 H THR 107 -4.458 -10.485 7.057 882 HA THR 107 HA THR 107 -4.360 -12.545 9.121 883 HB THR 107 HB THR 107 -3.457 -13.213 6.372 884 HG1 THR 107 HG1 THR 107 -5.394 -12.693 5.441 885 1HG2 THR 107 1HG2 THR 107 -5.689 -14.644 6.809 886 2HG2 THR 107 2HG2 THR 107 -5.290 -14.240 8.479 887 3HG2 THR 107 3HG2 THR 107 -4.126 -15.109 7.479 888 H MET 108 H MET 108 -1.876 -10.969 7.056 889 HA MET 108 HA MET 108 0.270 -12.767 7.831 890 1HB MET 108 1HB MET 108 0.247 -9.900 6.826 891 2HB MET 108 2HB MET 108 1.706 -10.874 6.993 892 1HG MET 108 1HG MET 108 -0.689 -11.677 5.317 893 2HG MET 108 2HG MET 108 0.755 -10.901 4.668 894 1HE MET 108 1HE MET 108 -1.073 -13.796 4.921 895 2HE MET 108 2HE MET 108 -0.607 -14.146 6.584 896 3HE MET 108 3HE MET 108 -0.056 -15.198 5.283 897 H MET 109 H MET 109 -1.036 -9.732 9.241 898 HA MET 109 HA MET 109 1.056 -9.223 11.137 899 1HB MET 109 1HB MET 109 -0.890 -7.722 10.630 900 2HB MET 109 2HB MET 109 -1.951 -8.846 11.477 901 1HG MET 109 1HG MET 109 -0.220 -8.546 13.440 902 2HG MET 109 2HG MET 109 0.179 -7.051 12.593 903 1HE MET 109 1HE MET 109 -1.786 -5.106 14.891 904 2HE MET 109 2HE MET 109 -0.234 -5.714 14.321 905 3HE MET 109 3HE MET 109 -1.088 -6.567 15.603 906 H SER 110 H SER 110 -1.792 -11.442 11.356 907 HA SER 110 HA SER 110 -1.441 -12.207 14.100 908 1HB SER 110 1HB SER 110 -2.347 -13.874 11.722 909 2HB SER 110 2HB SER 110 -2.621 -14.296 13.410 910 HG SER 110 HG SER 110 -3.950 -12.559 13.624 911 H VAL 111 H VAL 111 0.357 -13.260 11.195 912 HA VAL 111 HA VAL 111 1.761 -15.398 12.647 913 HB VAL 111 HB VAL 111 2.375 -14.046 9.993 914 1HG1 VAL 111 1HG1 VAL 111 4.312 -15.254 10.607 915 2HG1 VAL 111 2HG1 VAL 111 3.414 -16.390 9.601 916 3HG1 VAL 111 3HG1 VAL 111 3.375 -16.546 11.357 917 1HG2 VAL 111 1HG2 VAL 111 0.224 -14.963 9.724 918 2HG2 VAL 111 2HG2 VAL 111 0.564 -16.317 10.801 919 3HG2 VAL 111 3HG2 VAL 111 1.273 -16.274 9.188 920 H HIS 112 H HIS 112 2.144 -11.954 12.665 921 HA HIS 112 HA HIS 112 5.058 -12.087 13.076 922 1HB HIS 112 1HB HIS 112 4.970 -9.901 12.434 923 2HB HIS 112 2HB HIS 112 3.330 -10.275 11.932 924 HD1 HIS 112 HD1 HIS 112 1.527 -9.944 14.123 925 HD2 HIS 112 HD2 HIS 112 5.041 -7.781 14.067 926 HE1 HIS 112 HE1 HIS 112 1.188 -8.028 15.729 927 H ARG 113 H ARG 113 2.077 -12.008 15.007 928 HA ARG 113 HA ARG 113 3.593 -11.249 17.453 929 1HB ARG 113 1HB ARG 113 1.072 -10.700 16.556 930 2HB ARG 113 2HB ARG 113 0.747 -12.077 17.610 931 1HG ARG 113 1HG ARG 113 1.349 -10.942 19.512 932 2HG ARG 113 2HG ARG 113 2.579 -9.989 18.679 933 1HD ARG 113 1HD ARG 113 1.110 -8.309 18.182 934 2HD ARG 113 2HD ARG 113 -0.204 -9.445 17.812 935 HE ARG 113 HE ARG 113 0.643 -8.865 20.627 936 1HH1 ARG 113 1HH2 ARG 113 -1.300 -11.078 20.197 937 2HH1 ARG 113 2HH2 ARG 113 -2.825 -10.278 20.378 938 1HH2 ARG 113 1HH1 ARG 113 -1.504 -7.096 19.989 939 2HH2 ARG 113 2HH1 ARG 113 -2.941 -8.023 20.260 940 H GLY 114 H GLY 114 2.119 -14.151 15.952 941 1HA GLY 114 1HA GLY 114 1.963 -15.832 18.211 942 2HA GLY 114 2HA GLY 114 2.281 -16.401 16.574 943 H GLU 115 H GLU 115 4.656 -16.187 15.831 944 HA GLU 115 HA GLU 115 6.555 -16.331 18.141 945 1HB GLU 115 1HB GLU 115 6.098 -18.329 15.905 946 2HB GLU 115 2HB GLU 115 7.512 -18.368 16.960 947 1HG GLU 115 1HG GLU 115 5.875 -18.399 18.923 948 2HG GLU 115 2HG GLU 115 4.610 -18.720 17.736 949 H VAL 116 H VAL 116 6.597 -14.015 16.752 950 HA VAL 116 HA VAL 116 9.040 -14.263 15.061 951 HB VAL 116 HB VAL 116 6.452 -12.890 14.248 952 1HG1 VAL 116 1HG1 VAL 116 8.038 -11.593 13.174 953 2HG1 VAL 116 2HG1 VAL 116 7.898 -12.905 12.004 954 3HG1 VAL 116 3HG1 VAL 116 9.235 -12.887 13.154 955 1HG2 VAL 116 1HG2 VAL 116 6.592 -14.623 12.375 956 2HG2 VAL 116 2HG2 VAL 116 6.188 -15.257 13.971 957 3HG2 VAL 116 3HG2 VAL 116 7.826 -15.433 13.341 958 HA PRO 117 HA PRO 117 8.651 -10.504 17.910 959 1HB PRO 117 1HB PRO 117 10.580 -11.166 19.736 960 2HB PRO 117 2HB PRO 117 8.873 -11.612 19.930 961 1HG PRO 117 1HG PRO 117 11.166 -13.262 19.002 962 2HG PRO 117 2HG PRO 117 9.792 -13.710 20.024 963 1HD PRO 117 1HD PRO 117 9.978 -14.342 17.374 964 2HD PRO 117 2HD PRO 117 8.437 -14.143 18.237 965 H CYS 118 H CYS 118 11.631 -12.373 17.075 966 HA CYS 118 HA CYS 118 13.690 -11.644 16.182 967 1HB CYS 118 1HB CYS 118 11.693 -10.902 14.570 968 2HB CYS 118 2HB CYS 118 12.257 -9.291 15.013 969 HG CYS 118 HG CYS 118 14.678 -10.814 14.255 970 H THR 119 H THR 119 14.613 -10.977 18.298 971 HA THR 119 HA THR 119 14.899 -8.009 18.501 972 HB THR 119 HB THR 119 14.442 -9.773 20.908 973 HG1 THR 119 HG1 THR 119 12.287 -9.429 20.710 974 1HG2 THR 119 1HG2 THR 119 14.567 -6.869 20.287 975 2HG2 THR 119 2HG2 THR 119 15.080 -7.734 21.735 976 3HG2 THR 119 3HG2 THR 119 13.373 -7.370 21.484 977 H VAL 120 H VAL 120 16.895 -7.388 19.706 978 HA VAL 120 HA VAL 120 18.815 -9.634 20.179 979 HB VAL 120 HB VAL 120 19.283 -7.113 18.545 980 1HG1 VAL 120 1HG1 VAL 120 21.442 -8.481 18.000 981 2HG1 VAL 120 2HG1 VAL 120 21.080 -9.333 19.501 982 3HG1 VAL 120 3HG1 VAL 120 21.366 -7.593 19.522 983 1HG2 VAL 120 1HG2 VAL 120 18.075 -8.546 17.131 984 2HG2 VAL 120 2HG2 VAL 120 18.774 -9.999 17.847 985 3HG2 VAL 120 3HG2 VAL 120 19.743 -8.989 16.775 986 1H GLN 1 1H GLN 1 12.117 -5.002 -21.713 987 2H GLN 1 2H GLN 1 12.884 -6.516 -21.803 988 3H GLN 1 3H GLN 1 13.810 -5.092 -21.753 989 HA GLN 1 HA GLN 1 13.215 -4.661 -19.503 990 1HB GLN 1 1HB GLN 1 11.508 -6.126 -18.431 991 2HB GLN 1 2HB GLN 1 10.856 -5.280 -19.833 992 1HG GLN 1 1HG GLN 1 11.077 -7.247 -21.215 993 2HG GLN 1 2HG GLN 1 11.966 -8.097 -19.951 994 1HE2 GLN 1 1HE2 GLN 1 9.146 -8.555 -21.292 995 2HE2 GLN 1 2HE2 GLN 1 8.131 -8.773 -19.949 996 H LYS 2 H LYS 2 13.721 -6.255 -17.518 997 HA LYS 2 HA LYS 2 15.647 -8.344 -18.494 998 1HB LYS 2 1HB LYS 2 15.773 -6.301 -16.264 999 2HB LYS 2 2HB LYS 2 16.886 -7.666 -16.353 1000 1HG LYS 2 1HG LYS 2 18.136 -6.195 -17.585 1001 2HG LYS 2 2HG LYS 2 17.089 -6.747 -18.892 1002 1HD LYS 2 1HD LYS 2 16.928 -4.404 -19.039 1003 2HD LYS 2 2HD LYS 2 15.494 -4.844 -18.111 1004 1HE LYS 2 1HE LYS 2 16.380 -3.115 -16.795 1005 2HE LYS 2 2HE LYS 2 17.133 -4.535 -16.041 1006 1HZ LYS 2 1HZ LYS 2 18.811 -2.888 -16.595 1007 2HZ LYS 2 2HZ LYS 2 18.310 -2.885 -18.219 1008 3HZ LYS 2 3HZ LYS 2 19.019 -4.276 -17.547 1009 H THR 3 H THR 3 13.935 -7.355 -15.454 1010 HA THR 3 HA THR 3 13.325 -10.263 -15.009 1011 HB THR 3 HB THR 3 13.550 -8.282 -12.774 1012 HG1 THR 3 HG1 THR 3 15.731 -8.325 -12.843 1013 1HG2 THR 3 1HG2 THR 3 13.026 -10.880 -12.756 1014 2HG2 THR 3 2HG2 THR 3 14.035 -10.156 -11.504 1015 3HG2 THR 3 3HG2 THR 3 14.783 -11.007 -12.856 1016 H GLY 4 H GLY 4 11.113 -10.700 -14.846 1017 1HA GLY 4 1HA GLY 4 9.272 -8.373 -14.654 1018 2HA GLY 4 2HA GLY 4 8.828 -9.991 -15.198 1019 H THR 5 H THR 5 8.246 -7.943 -12.709 1020 HA THR 5 HA THR 5 7.539 -8.232 -10.477 1021 HB THR 5 HB THR 5 7.137 -11.137 -11.103 1022 HG1 THR 5 HG1 THR 5 5.600 -10.681 -12.573 1023 1HG2 THR 5 1HG2 THR 5 5.086 -9.163 -10.147 1024 2HG2 THR 5 2HG2 THR 5 6.318 -9.755 -9.032 1025 3HG2 THR 5 3HG2 THR 5 5.212 -10.889 -9.806 1026 H ALA 6 H ALA 6 9.576 -7.978 -9.339 1027 HA ALA 6 HA ALA 6 10.889 -10.570 -8.579 1028 1HB ALA 6 1HB ALA 6 12.480 -8.072 -8.548 1029 2HB ALA 6 2HB ALA 6 11.947 -8.595 -10.146 1030 3HB ALA 6 3HB ALA 6 12.917 -9.674 -9.143 1031 H GLU 7 H GLU 7 8.729 -9.260 -7.070 1032 HA GLU 7 HA GLU 7 8.260 -8.574 -4.862 1033 1HB GLU 7 1HB GLU 7 10.217 -10.472 -4.790 1034 2HB GLU 7 2HB GLU 7 11.041 -9.136 -3.984 1035 1HG GLU 7 1HG GLU 7 9.118 -8.903 -2.436 1036 2HG GLU 7 2HG GLU 7 8.336 -10.276 -3.220 1037 H VAL 8 H VAL 8 8.781 -6.439 -6.483 1038 HA VAL 8 HA VAL 8 11.010 -4.763 -5.842 1039 HB VAL 8 HB VAL 8 8.142 -4.019 -6.543 1040 1HG1 VAL 8 1HG1 VAL 8 9.710 -2.046 -7.585 1041 2HG1 VAL 8 2HG1 VAL 8 10.603 -2.424 -6.110 1042 3HG1 VAL 8 3HG1 VAL 8 8.911 -1.932 -6.016 1043 1HG2 VAL 8 1HG2 VAL 8 10.289 -3.836 -8.566 1044 2HG2 VAL 8 2HG2 VAL 8 8.655 -4.482 -8.715 1045 3HG2 VAL 8 3HG2 VAL 8 9.938 -5.480 -8.031 1046 H SER 9 H SER 9 7.821 -5.071 -4.206 1047 HA SER 9 HA SER 9 8.166 -2.986 -2.268 1048 1HB SER 9 1HB SER 9 6.885 -5.628 -1.577 1049 2HB SER 9 2HB SER 9 6.352 -4.003 -1.157 1050 HG SER 9 HG SER 9 5.649 -3.706 -3.220 1051 H SER 10 H SER 10 9.342 -6.378 -2.289 1052 HA SER 10 HA SER 10 10.452 -6.297 0.406 1053 1HB SER 10 1HB SER 10 9.988 -8.415 -0.705 1054 2HB SER 10 2HB SER 10 11.032 -7.984 -2.057 1055 HG SER 10 HG SER 10 12.785 -8.261 -0.799 1056 H ILE 11 H ILE 11 11.822 -5.716 -2.867 1057 HA ILE 11 HA ILE 11 14.527 -5.205 -1.935 1058 HB ILE 11 HB ILE 11 13.058 -4.231 -4.420 1059 1HG1 ILE 11 1HG1 ILE 11 14.992 -6.486 -4.523 1060 2HG1 ILE 11 2HG1 ILE 11 13.463 -6.825 -3.715 1061 1HG2 ILE 11 1HG2 ILE 11 15.066 -3.517 -5.273 1062 2HG2 ILE 11 2HG2 ILE 11 15.991 -4.737 -4.398 1063 3HG2 ILE 11 3HG2 ILE 11 15.437 -3.285 -3.565 1064 1HD1 ILE 11 1HD1 ILE 11 13.775 -7.050 -6.384 1065 2HD1 ILE 11 2HD1 ILE 11 13.298 -5.354 -6.294 1066 3HD1 ILE 11 3HD1 ILE 11 12.238 -6.604 -5.642 1067 H LEU 12 H LEU 12 11.677 -3.084 -2.498 1068 HA LEU 12 HA LEU 12 13.029 -0.579 -2.030 1069 1HB LEU 12 1HB LEU 12 10.608 -1.175 -2.903 1070 2HB LEU 12 2HB LEU 12 10.175 -1.069 -1.196 1071 HG LEU 12 HG LEU 12 11.581 1.195 -1.365 1072 1HD1 LEU 12 1HD1 LEU 12 12.208 0.901 -3.710 1073 2HD1 LEU 12 2HD1 LEU 12 11.114 2.277 -3.563 1074 3HD1 LEU 12 3HD1 LEU 12 10.513 0.732 -4.167 1075 1HD2 LEU 12 1HD2 LEU 12 9.417 2.358 -1.832 1076 2HD2 LEU 12 2HD2 LEU 12 9.247 1.058 -0.653 1077 3HD2 LEU 12 3HD2 LEU 12 8.725 0.811 -2.320 1078 H GLU 13 H GLU 13 11.458 -2.904 0.225 1079 HA GLU 13 HA GLU 13 11.634 -1.277 2.590 1080 1HB GLU 13 1HB GLU 13 10.398 -3.485 2.261 1081 2HB GLU 13 2HB GLU 13 11.955 -4.294 2.445 1082 1HG GLU 13 1HG GLU 13 11.231 -2.290 4.526 1083 2HG GLU 13 2HG GLU 13 10.333 -3.808 4.537 1084 H GLU 14 H GLU 14 14.025 -3.511 1.100 1085 HA GLU 14 HA GLU 14 15.983 -3.306 3.223 1086 1HB GLU 14 1HB GLU 14 15.826 -4.954 1.221 1087 2HB GLU 14 2HB GLU 14 16.630 -3.689 0.291 1088 1HG GLU 14 1HG GLU 14 18.507 -4.774 1.047 1089 2HG GLU 14 2HG GLU 14 18.249 -3.722 2.440 1090 H ARG 15 H ARG 15 15.449 -1.376 0.240 1091 HA ARG 15 HA ARG 15 17.808 0.262 0.470 1092 1HB ARG 15 1HB ARG 15 16.220 0.024 -1.510 1093 2HB ARG 15 2HB ARG 15 15.117 1.102 -0.652 1094 1HG ARG 15 1HG ARG 15 16.934 2.809 -0.536 1095 2HG ARG 15 2HG ARG 15 17.957 1.744 -1.499 1096 1HD ARG 15 1HD ARG 15 16.636 2.003 -3.428 1097 2HD ARG 15 2HD ARG 15 15.217 2.526 -2.498 1098 HE ARG 15 HE ARG 15 17.687 4.189 -2.840 1099 1HH1 ARG 15 1HH1 ARG 15 15.053 4.180 -0.877 1100 2HH1 ARG 15 2HH1 ARG 15 14.377 5.680 -1.422 1101 1HH2 ARG 15 1HH2 ARG 15 16.507 5.955 -4.144 1102 2HH2 ARG 15 2HH2 ARG 15 15.201 6.685 -3.271 1103 H ILE 16 H ILE 16 14.564 0.576 1.975 1104 HA ILE 16 HA ILE 16 15.400 3.159 3.202 1105 HB ILE 16 HB ILE 16 13.052 3.332 3.874 1106 1HG1 ILE 16 1HG1 ILE 16 12.505 0.669 2.555 1107 2HG1 ILE 16 2HG1 ILE 16 12.856 0.775 4.279 1108 1HG2 ILE 16 1HG2 ILE 16 12.145 3.630 1.733 1109 2HG2 ILE 16 2HG2 ILE 16 12.985 2.225 1.076 1110 3HG2 ILE 16 3HG2 ILE 16 13.882 3.701 1.435 1111 1HD1 ILE 16 1HD1 ILE 16 11.024 2.636 4.284 1112 2HD1 ILE 16 2HD1 ILE 16 10.523 0.946 4.236 1113 3HD1 ILE 16 3HD1 ILE 16 10.524 1.907 2.757 1114 H LEU 17 H LEU 17 14.804 -0.232 4.164 1115 HA LEU 17 HA LEU 17 15.457 0.549 6.985 1116 1HB LEU 17 1HB LEU 17 13.476 -1.174 5.710 1117 2HB LEU 17 2HB LEU 17 14.409 -2.061 6.912 1118 HG LEU 17 HG LEU 17 12.410 -1.022 7.921 1119 1HD1 LEU 17 1HD1 LEU 17 13.873 -1.114 9.657 1120 2HD1 LEU 17 2HD1 LEU 17 13.942 0.637 9.468 1121 3HD1 LEU 17 3HD1 LEU 17 15.177 -0.379 8.728 1122 1HD2 LEU 17 1HD2 LEU 17 12.008 1.308 7.894 1123 2HD2 LEU 17 2HD2 LEU 17 12.515 0.954 6.242 1124 3HD2 LEU 17 3HD2 LEU 17 13.654 1.675 7.378 1125 H GLY 18 H GLY 18 17.830 0.460 6.308 1126 1HA GLY 18 1HA GLY 18 18.794 -2.356 6.442 1127 2HA GLY 18 2HA GLY 18 19.428 -1.295 5.183 1128 H ALA 19 H ALA 19 18.666 -0.437 8.588 1129 HA ALA 19 HA ALA 19 20.039 0.556 10.229 1130 1HB ALA 19 1HB ALA 19 22.295 -1.053 9.061 1131 2HB ALA 19 2HB ALA 19 20.906 -1.886 9.761 1132 3HB ALA 19 3HB ALA 19 21.875 -0.798 10.755 1133 H ASP 20 H ASP 20 19.899 2.652 8.866 1134 HA ASP 20 HA ASP 20 22.661 3.486 8.111 1135 1HB ASP 20 1HB ASP 20 21.462 2.695 6.086 1136 2HB ASP 20 2HB ASP 20 20.165 3.843 6.416 1137 H THR 21 H THR 21 19.273 4.793 8.140 1138 HA THR 21 HA THR 21 20.161 6.895 10.052 1139 HB THR 21 HB THR 21 18.856 7.483 7.376 1140 HG1 THR 21 HG1 THR 21 20.890 6.935 6.875 1141 1HG2 THR 21 1HG2 THR 21 18.310 9.240 8.842 1142 2HG2 THR 21 2HG2 THR 21 19.770 9.820 8.041 1143 3HG2 THR 21 3HG2 THR 21 19.864 9.152 9.671 1144 H SER 22 H SER 22 18.270 8.036 11.041 1145 HA SER 22 HA SER 22 15.615 6.780 10.497 1146 1HB SER 22 1HB SER 22 15.389 6.075 12.735 1147 2HB SER 22 2HB SER 22 17.075 5.708 12.382 1148 HG SER 22 HG SER 22 17.691 7.517 13.476 1149 H VAL 23 H VAL 23 13.925 8.045 12.063 1150 HA VAL 23 HA VAL 23 14.723 10.899 12.377 1151 HB VAL 23 HB VAL 23 13.878 10.584 10.077 1152 1HG1 VAL 23 1HG1 VAL 23 12.476 8.592 10.538 1153 2HG1 VAL 23 2HG1 VAL 23 11.565 9.848 9.699 1154 3HG1 VAL 23 3HG1 VAL 23 11.344 9.608 11.432 1155 1HG2 VAL 23 1HG2 VAL 23 12.568 12.482 10.100 1156 2HG2 VAL 23 2HG2 VAL 23 13.192 12.563 11.747 1157 3HG2 VAL 23 3HG2 VAL 23 11.580 11.912 11.446 1158 H ASP 24 H ASP 24 14.260 9.108 14.518 1159 HA ASP 24 HA ASP 24 11.620 10.090 15.549 1160 1HB ASP 24 1HB ASP 24 12.822 7.353 15.370 1161 2HB ASP 24 2HB ASP 24 11.821 7.724 16.775 1162 H LEU 25 H LEU 25 14.462 8.244 16.833 1163 HA LEU 25 HA LEU 25 14.718 10.354 18.953 1164 1HB LEU 25 1HB LEU 25 13.593 8.200 19.643 1165 2HB LEU 25 2HB LEU 25 15.092 7.359 19.249 1166 HG LEU 25 HG LEU 25 16.290 8.880 20.853 1167 1HD1 LEU 25 1HD1 LEU 25 14.956 10.783 21.092 1168 2HD1 LEU 25 2HD1 LEU 25 14.579 9.900 22.571 1169 3HD1 LEU 25 3HD1 LEU 25 13.466 9.846 21.205 1170 1HD2 LEU 25 1HD2 LEU 25 15.715 7.588 22.745 1171 2HD2 LEU 25 2HD2 LEU 25 15.250 6.560 21.390 1172 3HD2 LEU 25 3HD2 LEU 25 14.022 7.475 22.264 Start of MODEL 7 1 1H PHE 1 1H PHE 1 -28.533 -23.732 0.369 2 2H PHE 1 2H PHE 1 -28.182 -23.615 -1.290 3 3H PHE 1 3H PHE 1 -28.539 -25.126 -0.598 4 HA PHE 1 HA PHE 1 -30.806 -24.227 -0.035 5 1HB PHE 1 1HB PHE 1 -29.770 -21.872 -0.314 6 2HB PHE 1 2HB PHE 1 -30.002 -22.117 -2.045 7 HD1 PHE 1 HD1 PHE 1 -32.283 -22.436 -2.978 8 HD2 PHE 1 HD2 PHE 1 -31.638 -21.497 1.164 9 HE1 PHE 1 HE1 PHE 1 -34.671 -21.806 -2.749 10 HE2 PHE 1 HE2 PHE 1 -34.026 -20.868 1.394 11 HZ PHE 1 HZ PHE 1 -35.541 -21.022 -0.563 12 H ALA 2 H ALA 2 -29.190 -23.743 -3.247 13 HA ALA 2 HA ALA 2 -31.040 -25.840 -4.344 14 1HB ALA 2 1HB ALA 2 -29.977 -23.478 -5.892 15 2HB ALA 2 2HB ALA 2 -31.411 -23.318 -4.878 16 3HB ALA 2 3HB ALA 2 -31.406 -24.456 -6.226 17 H LYS 3 H LYS 3 -28.373 -26.414 -3.346 18 HA LYS 3 HA LYS 3 -26.348 -27.413 -4.029 19 1HB LYS 3 1HB LYS 3 -28.117 -27.836 -6.459 20 2HB LYS 3 2HB LYS 3 -26.603 -28.695 -6.168 21 1HG LYS 3 1HG LYS 3 -27.749 -29.207 -3.823 22 2HG LYS 3 2HG LYS 3 -29.226 -28.939 -4.750 23 1HD LYS 3 1HD LYS 3 -27.141 -30.683 -5.978 24 2HD LYS 3 2HD LYS 3 -28.059 -31.348 -4.626 25 1HE LYS 3 1HE LYS 3 -29.648 -29.938 -6.715 26 2HE LYS 3 2HE LYS 3 -28.951 -31.506 -7.169 27 1HZ LYS 3 1HZ LYS 3 -31.079 -31.828 -6.080 28 2HZ LYS 3 2HZ LYS 3 -30.553 -30.946 -4.726 29 3HZ LYS 3 3HZ LYS 3 -29.833 -32.438 -5.105 30 H LEU 4 H LEU 4 -25.315 -25.170 -4.094 31 HA LEU 4 HA LEU 4 -24.613 -24.424 -6.916 32 1HB LEU 4 1HB LEU 4 -25.514 -22.817 -4.543 33 2HB LEU 4 2HB LEU 4 -24.438 -22.068 -5.725 34 HG LEU 4 HG LEU 4 -26.870 -23.550 -6.676 35 1HD1 LEU 4 1HD1 LEU 4 -28.236 -21.573 -6.455 36 2HD1 LEU 4 2HD1 LEU 4 -26.871 -20.636 -5.848 37 3HD1 LEU 4 3HD1 LEU 4 -27.560 -21.928 -4.865 38 1HD2 LEU 4 1HD2 LEU 4 -25.883 -20.977 -7.813 39 2HD2 LEU 4 2HD2 LEU 4 -26.482 -22.414 -8.641 40 3HD2 LEU 4 3HD2 LEU 4 -24.838 -22.385 -8.004 41 H VAL 5 H VAL 5 -22.533 -22.787 -6.662 42 HA VAL 5 HA VAL 5 -20.677 -23.926 -4.607 43 HB VAL 5 HB VAL 5 -20.191 -23.621 -7.592 44 1HG1 VAL 5 1HG1 VAL 5 -18.115 -23.231 -6.478 45 2HG1 VAL 5 2HG1 VAL 5 -18.074 -24.922 -6.974 46 3HG1 VAL 5 3HG1 VAL 5 -18.428 -24.503 -5.298 47 1HG2 VAL 5 1HG2 VAL 5 -19.837 -26.210 -7.202 48 2HG2 VAL 5 2HG2 VAL 5 -21.465 -25.569 -7.423 49 3HG2 VAL 5 3HG2 VAL 5 -20.873 -25.935 -5.802 50 H ARG 6 H ARG 6 -19.220 -22.357 -3.772 51 HA ARG 6 HA ARG 6 -19.317 -19.642 -5.055 52 1HB ARG 6 1HB ARG 6 -19.223 -20.459 -2.130 53 2HB ARG 6 2HB ARG 6 -19.177 -18.794 -2.710 54 1HG ARG 6 1HG ARG 6 -21.400 -18.781 -3.271 55 2HG ARG 6 2HG ARG 6 -21.401 -20.483 -3.732 56 1HD ARG 6 1HD ARG 6 -22.666 -20.494 -1.739 57 2HD ARG 6 2HD ARG 6 -21.039 -20.892 -1.149 58 HE ARG 6 HE ARG 6 -20.764 -18.428 -0.671 59 1HH1 ARG 6 1HH2 ARG 6 -23.447 -20.132 0.253 60 2HH1 ARG 6 2HH2 ARG 6 -24.464 -18.761 0.540 61 1HH2 ARG 6 1HH1 ARG 6 -22.266 -16.495 -0.892 62 2HH2 ARG 6 2HH1 ARG 6 -23.796 -16.701 -0.107 63 HA PRO 7 HA PRO 7 -14.920 -20.999 -4.880 64 1HB PRO 7 1HB PRO 7 -14.145 -19.723 -7.170 65 2HB PRO 7 2HB PRO 7 -14.875 -21.340 -7.165 66 1HG PRO 7 1HG PRO 7 -16.113 -18.708 -7.783 67 2HG PRO 7 2HG PRO 7 -16.375 -20.286 -8.541 68 1HD PRO 7 1HD PRO 7 -18.086 -19.175 -6.727 69 2HD PRO 7 2HD PRO 7 -17.916 -20.925 -6.980 70 HA PRO 8 HA PRO 8 -14.259 -16.855 -3.137 71 1HB PRO 8 1HB PRO 8 -12.236 -17.549 -1.436 72 2HB PRO 8 2HB PRO 8 -13.949 -17.822 -1.057 73 1HG PRO 8 1HG PRO 8 -11.890 -19.740 -2.007 74 2HG PRO 8 2HG PRO 8 -13.223 -19.982 -0.867 75 1HD PRO 8 1HD PRO 8 -13.257 -20.804 -3.487 76 2HD PRO 8 2HD PRO 8 -14.709 -20.474 -2.520 77 H VAL 9 H VAL 9 -12.387 -15.315 -3.275 78 HA VAL 9 HA VAL 9 -10.071 -16.308 -4.880 79 HB VAL 9 HB VAL 9 -10.386 -14.356 -6.397 80 1HG1 VAL 9 1HG1 VAL 9 -12.353 -15.240 -7.579 81 2HG1 VAL 9 2HG1 VAL 9 -12.836 -16.125 -6.132 82 3HG1 VAL 9 3HG1 VAL 9 -11.348 -16.557 -6.975 83 1HG2 VAL 9 1HG2 VAL 9 -12.999 -13.999 -4.890 84 2HG2 VAL 9 2HG2 VAL 9 -12.467 -13.064 -6.288 85 3HG2 VAL 9 3HG2 VAL 9 -11.604 -12.928 -4.756 86 H GLN 10 H GLN 10 -9.873 -15.753 -2.140 87 HA GLN 10 HA GLN 10 -8.682 -12.997 -2.028 88 1HB GLN 10 1HB GLN 10 -9.966 -14.874 -0.051 89 2HB GLN 10 2HB GLN 10 -8.874 -13.614 0.522 90 1HG GLN 10 1HG GLN 10 -10.261 -11.882 -0.244 91 2HG GLN 10 2HG GLN 10 -11.104 -12.934 -1.382 92 1HE2 GLN 10 1HE2 GLN 10 -13.263 -12.551 -0.486 93 2HE2 GLN 10 2HE2 GLN 10 -13.687 -13.096 1.065 94 H ILE 11 H ILE 11 -6.567 -12.854 -0.792 95 HA ILE 11 HA ILE 11 -4.363 -13.565 -0.352 96 HB ILE 11 HB ILE 11 -5.734 -16.245 -0.083 97 1HG1 ILE 11 1HG1 ILE 11 -6.800 -14.540 1.344 98 2HG1 ILE 11 2HG1 ILE 11 -5.894 -15.689 2.327 99 1HG2 ILE 11 1HG2 ILE 11 -3.006 -15.232 0.467 100 2HG2 ILE 11 2HG2 ILE 11 -3.543 -16.867 0.077 101 3HG2 ILE 11 3HG2 ILE 11 -3.714 -16.251 1.721 102 1HD1 ILE 11 1HD1 ILE 11 -4.917 -13.864 3.254 103 2HD1 ILE 11 2HD1 ILE 11 -5.470 -12.807 1.956 104 3HD1 ILE 11 3HD1 ILE 11 -3.997 -13.754 1.754 105 H TYR 12 H TYR 12 -2.667 -13.984 -1.812 106 HA TYR 12 HA TYR 12 -3.109 -16.010 -3.960 107 1HB TYR 12 1HB TYR 12 -2.178 -13.232 -4.711 108 2HB TYR 12 2HB TYR 12 -2.947 -14.446 -5.729 109 HD1 TYR 12 HD1 TYR 12 -3.507 -11.962 -3.045 110 HD2 TYR 12 HD2 TYR 12 -5.380 -14.629 -5.846 111 HE1 TYR 12 HE1 TYR 12 -5.709 -10.993 -2.495 112 HE2 TYR 12 HE2 TYR 12 -7.582 -13.634 -5.306 113 HH TYR 12 HH TYR 12 -8.291 -11.154 -4.324 114 H GLY 13 H GLY 13 -0.777 -13.379 -3.060 115 1HA GLY 13 1HA GLY 13 1.330 -14.795 -2.074 116 2HA GLY 13 2HA GLY 13 1.470 -15.136 -3.797 117 H ILE 14 H ILE 14 1.988 -13.350 -5.252 118 HA ILE 14 HA ILE 14 3.875 -11.464 -4.299 119 HB ILE 14 HB ILE 14 3.549 -12.076 -6.683 120 1HG1 ILE 14 1HG1 ILE 14 3.815 -9.791 -7.632 121 2HG1 ILE 14 2HG1 ILE 14 3.247 -9.109 -6.110 122 1HG2 ILE 14 1HG2 ILE 14 1.067 -10.342 -6.473 123 2HG2 ILE 14 2HG2 ILE 14 1.084 -12.086 -6.722 124 3HG2 ILE 14 3HG2 ILE 14 1.718 -11.012 -7.967 125 1HD1 ILE 14 1HD1 ILE 14 5.875 -9.539 -6.675 126 2HD1 ILE 14 2HD1 ILE 14 5.467 -11.054 -5.869 127 3HD1 ILE 14 3HD1 ILE 14 5.220 -9.519 -5.037 128 H GLU 15 H GLU 15 0.319 -11.080 -4.572 129 HA GLU 15 HA GLU 15 0.345 -8.248 -3.873 130 1HB GLU 15 1HB GLU 15 -1.700 -10.447 -4.044 131 2HB GLU 15 2HB GLU 15 -2.141 -8.933 -3.253 132 1HG GLU 15 1HG GLU 15 -2.029 -7.719 -5.201 133 2HG GLU 15 2HG GLU 15 -0.735 -8.714 -5.868 134 H GLY 16 H GLY 16 0.046 -11.292 -1.971 135 1HA GLY 16 1HA GLY 16 -0.481 -9.951 0.535 136 2HA GLY 16 2HA GLY 16 0.102 -11.610 0.358 137 H ARG 17 H ARG 17 2.509 -11.131 -1.077 138 HA ARG 17 HA ARG 17 4.342 -10.467 1.031 139 1HB ARG 17 1HB ARG 17 4.484 -10.822 -1.944 140 2HB ARG 17 2HB ARG 17 5.877 -10.111 -1.131 141 1HG ARG 17 1HG ARG 17 5.058 -12.334 0.449 142 2HG ARG 17 2HG ARG 17 5.069 -12.879 -1.227 143 1HD ARG 17 1HD ARG 17 7.297 -13.245 -0.370 144 2HD ARG 17 2HD ARG 17 7.398 -11.810 -1.412 145 HE ARG 17 HE ARG 17 7.124 -10.445 0.706 146 1HH1 ARG 17 1HH2 ARG 17 7.004 -13.607 1.688 147 2HH1 ARG 17 2HH2 ARG 17 8.306 -13.510 2.825 148 1HH2 ARG 17 1HH1 ARG 17 9.316 -10.354 1.802 149 2HH2 ARG 17 2HH1 ARG 17 9.615 -11.669 2.891 150 H TYR 18 H TYR 18 2.676 -8.343 -1.291 151 HA TYR 18 HA TYR 18 4.452 -6.090 -1.127 152 1HB TYR 18 1HB TYR 18 1.580 -6.573 -1.798 153 2HB TYR 18 2HB TYR 18 2.001 -4.920 -1.367 154 HD1 TYR 18 HD1 TYR 18 3.949 -7.548 -3.207 155 HD2 TYR 18 HD2 TYR 18 2.074 -3.684 -3.344 156 HE1 TYR 18 HE1 TYR 18 4.846 -7.195 -5.490 157 HE2 TYR 18 HE2 TYR 18 2.978 -3.329 -5.626 158 HH TYR 18 HH TYR 18 3.784 -5.264 -7.604 159 H ALA 19 H ALA 19 1.711 -7.081 0.974 160 HA ALA 19 HA ALA 19 2.066 -4.753 2.743 161 1HB ALA 19 1HB ALA 19 0.537 -6.357 4.209 162 2HB ALA 19 2HB ALA 19 0.398 -7.258 2.698 163 3HB ALA 19 3HB ALA 19 -0.127 -5.575 2.773 164 H THR 20 H THR 20 3.000 -8.223 2.813 165 HA THR 20 HA THR 20 4.190 -7.988 5.463 166 HB THR 20 HB THR 20 5.311 -10.231 4.338 167 HG1 THR 20 HG1 THR 20 3.733 -11.086 2.982 168 1HG2 THR 20 1HG2 THR 20 4.062 -10.185 6.422 169 2HG2 THR 20 2HG2 THR 20 3.348 -11.405 5.368 170 3HG2 THR 20 3HG2 THR 20 2.564 -9.835 5.559 171 H ALA 21 H ALA 21 5.405 -7.427 2.171 172 HA ALA 21 HA ALA 21 8.209 -7.471 3.077 173 1HB ALA 21 1HB ALA 21 8.702 -6.841 0.801 174 2HB ALA 21 2HB ALA 21 7.065 -6.234 0.552 175 3HB ALA 21 3HB ALA 21 7.346 -7.967 0.717 176 H LEU 22 H LEU 22 5.600 -5.106 3.090 177 HA LEU 22 HA LEU 22 7.578 -2.883 3.469 178 1HB LEU 22 1HB LEU 22 5.651 -2.539 1.934 179 2HB LEU 22 2HB LEU 22 4.542 -2.913 3.253 180 HG LEU 22 HG LEU 22 6.142 -0.950 4.371 181 1HD1 LEU 22 1HD1 LEU 22 7.258 -0.063 2.580 182 2HD1 LEU 22 2HD1 LEU 22 5.743 0.818 2.378 183 3HD1 LEU 22 3HD1 LEU 22 6.058 -0.628 1.417 184 1HD2 LEU 22 1HD2 LEU 22 4.146 0.133 4.604 185 2HD2 LEU 22 2HD2 LEU 22 3.485 -1.361 3.939 186 3HD2 LEU 22 3HD2 LEU 22 3.767 0.023 2.884 187 H TYR 23 H TYR 23 4.862 -4.553 5.127 188 HA TYR 23 HA TYR 23 5.369 -3.049 7.574 189 1HB TYR 23 1HB TYR 23 3.270 -3.750 8.014 190 2HB TYR 23 2HB TYR 23 3.271 -4.577 6.469 191 HD1 TYR 23 HD1 TYR 23 2.912 -6.845 6.404 192 HD2 TYR 23 HD2 TYR 23 4.406 -5.060 9.999 193 HE1 TYR 23 HE1 TYR 23 2.795 -9.019 7.518 194 HE2 TYR 23 HE2 TYR 23 4.259 -7.232 11.151 195 HH TYR 23 HH TYR 23 4.294 -9.942 9.965 196 H SER 24 H SER 24 6.850 -5.885 6.098 197 HA SER 24 HA SER 24 7.618 -7.415 8.372 198 1HB SER 24 1HB SER 24 9.853 -7.599 6.935 199 2HB SER 24 2HB SER 24 8.349 -8.300 6.339 200 HG SER 24 HG SER 24 9.639 -5.901 5.604 201 H ALA 25 H ALA 25 8.919 -4.304 7.166 202 HA ALA 25 HA ALA 25 10.955 -4.126 9.290 203 1HB ALA 25 1HB ALA 25 10.549 -2.906 6.842 204 2HB ALA 25 2HB ALA 25 11.652 -2.301 8.078 205 3HB ALA 25 3HB ALA 25 10.018 -1.650 7.961 206 H ALA 26 H ALA 26 7.642 -2.859 8.635 207 HA ALA 26 HA ALA 26 7.394 -1.175 10.948 208 1HB ALA 26 1HB ALA 26 5.785 -1.273 9.046 209 2HB ALA 26 2HB ALA 26 4.964 -1.486 10.590 210 3HB ALA 26 3HB ALA 26 5.287 -2.883 9.564 211 H SER 27 H SER 27 6.925 -4.719 10.558 212 HA SER 27 HA SER 27 5.733 -5.291 13.084 213 1HB SER 27 1HB SER 27 6.262 -6.832 11.062 214 2HB SER 27 2HB SER 27 7.855 -7.021 11.786 215 HG SER 27 HG SER 27 6.965 -8.003 13.510 216 H LYS 28 H LYS 28 9.202 -4.908 12.215 217 HA LYS 28 HA LYS 28 10.265 -5.564 14.824 218 1HB LYS 28 1HB LYS 28 11.220 -3.965 12.444 219 2HB LYS 28 2HB LYS 28 12.181 -4.008 13.923 220 1HG LYS 28 1HG LYS 28 11.688 -6.640 13.669 221 2HG LYS 28 2HG LYS 28 11.616 -6.179 11.967 222 1HD LYS 28 1HD LYS 28 13.877 -5.075 13.559 223 2HD LYS 28 2HD LYS 28 13.932 -6.799 13.191 224 1HE LYS 28 1HE LYS 28 13.643 -6.302 10.783 225 2HE LYS 28 2HE LYS 28 13.600 -4.567 11.153 226 1HZ LYS 28 1HZ LYS 28 15.808 -6.366 11.986 227 2HZ LYS 28 2HZ LYS 28 15.769 -4.671 12.078 228 3HZ LYS 28 3HZ LYS 28 15.853 -5.440 10.567 229 H GLN 29 H GLN 29 9.124 -2.471 13.387 230 HA GLN 29 HA GLN 29 9.731 -1.016 15.899 231 1HB GLN 29 1HB GLN 29 8.538 -0.236 13.226 232 2HB GLN 29 2HB GLN 29 8.752 0.904 14.553 233 1HG GLN 29 1HG GLN 29 11.221 -0.031 14.555 234 2HG GLN 29 2HG GLN 29 10.830 -0.483 12.895 235 1HE2 GLN 29 1HE2 GLN 29 12.326 1.197 12.030 236 2HE2 GLN 29 2HE2 GLN 29 11.899 2.839 12.107 237 H ASN 30 H ASN 30 7.096 -2.949 14.841 238 HA ASN 30 HA ASN 30 4.984 -3.297 15.779 239 1HB ASN 30 1HB ASN 30 6.458 -2.395 17.853 240 2HB ASN 30 2HB ASN 30 5.325 -1.048 17.719 241 1HD2 ASN 30 1HD2 ASN 30 5.641 -3.682 19.575 242 2HD2 ASN 30 2HD2 ASN 30 4.027 -4.195 19.688 243 H LYS 31 H LYS 31 5.326 -1.616 13.504 244 HA LYS 31 HA LYS 31 3.409 0.620 14.024 245 1HB LYS 31 1HB LYS 31 5.382 0.040 11.800 246 2HB LYS 31 2HB LYS 31 4.294 1.429 11.812 247 1HG LYS 31 1HG LYS 31 6.080 0.886 14.174 248 2HG LYS 31 2HG LYS 31 6.714 1.721 12.756 249 1HD LYS 31 1HD LYS 31 4.980 3.432 12.941 250 2HD LYS 31 2HD LYS 31 4.249 2.576 14.299 251 1HE LYS 31 1HE LYS 31 5.851 3.293 15.782 252 2HE LYS 31 2HE LYS 31 7.144 3.225 14.568 253 1HZ LYS 31 1HZ LYS 31 6.674 5.511 14.963 254 2HZ LYS 31 2HZ LYS 31 5.000 5.266 14.802 255 3HZ LYS 31 3HZ LYS 31 6.016 5.126 13.448 256 H LEU 32 H LEU 32 2.993 -2.553 13.215 257 HA LEU 32 HA LEU 32 1.705 -2.723 10.713 258 1HB LEU 32 1HB LEU 32 1.358 -4.018 13.390 259 2HB LEU 32 2HB LEU 32 0.142 -4.339 12.153 260 HG LEU 32 HG LEU 32 2.864 -4.464 11.083 261 1HD1 LEU 32 1HD1 LEU 32 3.910 -5.821 12.503 262 2HD1 LEU 32 2HD1 LEU 32 2.521 -6.905 12.594 263 3HD1 LEU 32 3HD1 LEU 32 2.626 -5.512 13.670 264 1HD2 LEU 32 1HD2 LEU 32 1.584 -5.641 9.647 265 2HD2 LEU 32 2HD2 LEU 32 0.275 -5.792 10.823 266 3HD2 LEU 32 3HD2 LEU 32 1.600 -6.950 10.828 267 H GLU 33 H GLU 33 0.472 -1.222 13.724 268 HA GLU 33 HA GLU 33 -2.252 -0.841 12.735 269 1HB GLU 33 1HB GLU 33 -1.257 -0.685 15.165 270 2HB GLU 33 2HB GLU 33 -0.864 0.974 14.716 271 1HG GLU 33 1HG GLU 33 -3.350 1.105 13.940 272 2HG GLU 33 2HG GLU 33 -3.572 -0.318 14.959 273 H GLN 34 H GLN 34 0.725 1.177 12.773 274 HA GLN 34 HA GLN 34 -0.414 3.495 11.475 275 1HB GLN 34 1HB GLN 34 2.403 2.382 11.574 276 2HB GLN 34 2HB GLN 34 2.000 3.979 10.940 277 1HG GLN 34 1HG GLN 34 0.706 3.891 13.421 278 2HG GLN 34 2HG GLN 34 2.253 3.100 13.716 279 1HE2 GLN 34 1HE2 GLN 34 0.920 6.106 12.174 280 2HE2 GLN 34 2HE2 GLN 34 2.267 7.061 12.569 281 H VAL 35 H VAL 35 0.663 0.379 10.170 282 HA VAL 35 HA VAL 35 0.514 1.511 7.412 283 HB VAL 35 HB VAL 35 1.317 -1.329 7.997 284 1HG1 VAL 35 1HG1 VAL 35 2.876 -0.896 6.156 285 2HG1 VAL 35 2HG1 VAL 35 2.406 0.804 6.143 286 3HG1 VAL 35 3HG1 VAL 35 1.236 -0.438 5.695 287 1HG2 VAL 35 1HG2 VAL 35 2.804 -0.570 9.601 288 2HG2 VAL 35 2HG2 VAL 35 2.790 1.081 8.977 289 3HG2 VAL 35 3HG2 VAL 35 3.754 -0.157 8.173 290 H GLU 36 H GLU 36 -0.992 -1.017 9.470 291 HA GLU 36 HA GLU 36 -2.652 -2.110 7.344 292 1HB GLU 36 1HB GLU 36 -1.969 -3.048 9.711 293 2HB GLU 36 2HB GLU 36 -3.407 -2.189 10.256 294 1HG GLU 36 1HG GLU 36 -4.827 -3.446 8.802 295 2HG GLU 36 2HG GLU 36 -3.451 -4.112 7.922 296 H LYS 37 H LYS 37 -3.138 0.512 9.745 297 HA LYS 37 HA LYS 37 -5.989 0.777 9.064 298 1HB LYS 37 1HB LYS 37 -4.018 2.291 10.781 299 2HB LYS 37 2HB LYS 37 -5.644 2.916 10.506 300 1HG LYS 37 1HG LYS 37 -5.179 0.085 11.449 301 2HG LYS 37 2HG LYS 37 -5.303 1.431 12.584 302 1HD LYS 37 1HD LYS 37 -7.412 1.237 10.489 303 2HD LYS 37 2HD LYS 37 -7.456 0.037 11.783 304 1HE LYS 37 1HE LYS 37 -7.620 1.735 13.477 305 2HE LYS 37 2HE LYS 37 -7.250 3.019 12.309 306 1HZ LYS 37 1HZ LYS 37 -9.618 2.903 12.587 307 2HZ LYS 37 2HZ LYS 37 -9.624 1.230 12.293 308 3HZ LYS 37 3HZ LYS 37 -9.234 2.315 11.043 309 H GLU 38 H GLU 38 -2.964 2.478 8.111 310 HA GLU 38 HA GLU 38 -4.467 4.574 6.696 311 1HB GLU 38 1HB GLU 38 -1.599 3.699 6.920 312 2HB GLU 38 2HB GLU 38 -2.070 4.843 5.666 313 1HG GLU 38 1HG GLU 38 -1.385 6.087 7.647 314 2HG GLU 38 2HG GLU 38 -3.120 6.281 7.410 315 H LEU 39 H LEU 39 -2.940 1.454 5.794 316 HA LEU 39 HA LEU 39 -3.209 1.669 2.948 317 1HB LEU 39 1HB LEU 39 -3.093 -0.546 4.965 318 2HB LEU 39 2HB LEU 39 -3.603 -0.962 3.330 319 HG LEU 39 HG LEU 39 -1.077 0.585 3.965 320 1HD1 LEU 39 1HD1 LEU 39 -1.316 -1.929 4.723 321 2HD1 LEU 39 2HD1 LEU 39 0.143 -1.399 3.885 322 3HD1 LEU 39 3HD1 LEU 39 -1.119 -2.258 3.002 323 1HD2 LEU 39 1HD2 LEU 39 -2.314 -0.584 1.470 324 2HD2 LEU 39 2HD2 LEU 39 -0.582 -0.270 1.570 325 3HD2 LEU 39 3HD2 LEU 39 -1.731 1.058 1.737 326 H LEU 40 H LEU 40 -5.610 0.757 5.472 327 HA LEU 40 HA LEU 40 -7.700 -0.154 3.736 328 1HB LEU 40 1HB LEU 40 -7.603 1.179 6.441 329 2HB LEU 40 2HB LEU 40 -9.158 0.831 5.684 330 HG LEU 40 HG LEU 40 -7.072 -1.326 5.830 331 1HD1 LEU 40 1HD1 LEU 40 -8.451 -1.951 8.001 332 2HD1 LEU 40 2HD1 LEU 40 -8.715 -0.209 8.077 333 3HD1 LEU 40 3HD1 LEU 40 -7.075 -0.855 8.107 334 1HD2 LEU 40 1HD2 LEU 40 -9.330 -1.413 4.557 335 2HD2 LEU 40 2HD2 LEU 40 -10.068 -1.521 6.155 336 3HD2 LEU 40 3HD2 LEU 40 -8.940 -2.766 5.619 337 H ARG 41 H ARG 41 -6.737 3.185 4.642 338 HA ARG 41 HA ARG 41 -9.001 4.586 3.603 339 1HB ARG 41 1HB ARG 41 -7.101 5.559 4.933 340 2HB ARG 41 2HB ARG 41 -6.080 5.432 3.500 341 1HG ARG 41 1HG ARG 41 -7.174 7.138 2.397 342 2HG ARG 41 2HG ARG 41 -8.708 6.819 3.206 343 1HD ARG 41 1HD ARG 41 -6.477 7.727 4.958 344 2HD ARG 41 2HD ARG 41 -7.164 8.938 3.856 345 HE ARG 41 HE ARG 41 -9.193 8.821 5.072 346 1HH1 ARG 41 1HH1 ARG 41 -7.742 8.154 7.537 347 2HH1 ARG 41 2HH1 ARG 41 -8.460 6.657 8.028 348 1HH2 ARG 41 1HH2 ARG 41 -9.874 6.015 4.927 349 2HH2 ARG 41 2HH2 ARG 41 -9.668 5.445 6.550 350 H VAL 42 H VAL 42 -6.047 3.413 1.916 351 HA VAL 42 HA VAL 42 -6.665 4.581 -0.651 352 HB VAL 42 HB VAL 42 -5.160 2.024 0.035 353 1HG1 VAL 42 1HG1 VAL 42 -4.421 3.675 -2.320 354 2HG1 VAL 42 2HG1 VAL 42 -5.941 2.793 -2.457 355 3HG1 VAL 42 3HG1 VAL 42 -4.443 1.920 -2.136 356 1HG2 VAL 42 1HG2 VAL 42 -4.462 4.938 0.070 357 2HG2 VAL 42 2HG2 VAL 42 -3.220 3.787 -0.424 358 3HG2 VAL 42 3HG2 VAL 42 -3.961 3.654 1.171 359 H GLY 43 H GLY 43 -7.627 1.461 0.852 360 1HA GLY 43 1HA GLY 43 -8.923 0.392 -1.475 361 2HA GLY 43 2HA GLY 43 -9.242 -0.101 0.191 362 H GLN 44 H GLN 44 -10.178 2.271 1.338 363 HA GLN 44 HA GLN 44 -12.926 2.363 0.548 364 1HB GLN 44 1HB GLN 44 -11.962 3.166 2.724 365 2HB GLN 44 2HB GLN 44 -11.291 4.559 1.876 366 1HG GLN 44 1HG GLN 44 -13.294 5.461 2.616 367 2HG GLN 44 2HG GLN 44 -13.797 4.835 1.046 368 1HE2 GLN 44 1HE2 GLN 44 -13.810 4.047 4.563 369 2HE2 GLN 44 2HE2 GLN 44 -15.106 2.955 4.458 370 H ILE 45 H ILE 45 -10.164 4.423 -0.458 371 HA ILE 45 HA ILE 45 -11.671 6.323 -2.031 372 HB ILE 45 HB ILE 45 -8.831 5.239 -2.275 373 1HG1 ILE 45 1HG1 ILE 45 -9.603 7.938 -1.201 374 2HG1 ILE 45 2HG1 ILE 45 -9.756 6.521 -0.164 375 1HG2 ILE 45 1HG2 ILE 45 -10.157 6.717 -4.213 376 2HG2 ILE 45 2HG2 ILE 45 -8.411 6.670 -3.992 377 3HG2 ILE 45 3HG2 ILE 45 -9.356 7.964 -3.260 378 1HD1 ILE 45 1HD1 ILE 45 -7.455 7.963 -0.430 379 2HD1 ILE 45 2HD1 ILE 45 -7.202 6.711 -1.646 380 3HD1 ILE 45 3HD1 ILE 45 -7.499 6.262 0.033 381 H LEU 46 H LEU 46 -9.921 3.328 -3.048 382 HA LEU 46 HA LEU 46 -10.770 3.358 -5.776 383 1HB LEU 46 1HB LEU 46 -9.108 1.819 -4.375 384 2HB LEU 46 2HB LEU 46 -10.518 0.766 -4.283 385 HG LEU 46 HG LEU 46 -9.152 0.170 -6.219 386 1HD1 LEU 46 1HD1 LEU 46 -10.883 0.019 -7.788 387 2HD1 LEU 46 2HD1 LEU 46 -11.513 1.618 -7.387 388 3HD1 LEU 46 3HD1 LEU 46 -11.763 0.268 -6.280 389 1HD2 LEU 46 1HD2 LEU 46 -8.532 1.696 -7.913 390 2HD2 LEU 46 2HD2 LEU 46 -8.287 2.608 -6.423 391 3HD2 LEU 46 3HD2 LEU 46 -9.729 2.885 -7.398 392 H LYS 47 H LYS 47 -12.450 2.085 -2.879 393 HA LYS 47 HA LYS 47 -14.597 0.824 -4.403 394 1HB LYS 47 1HB LYS 47 -13.744 0.547 -1.887 395 2HB LYS 47 2HB LYS 47 -14.960 1.788 -1.582 396 1HG LYS 47 1HG LYS 47 -16.441 0.183 -3.122 397 2HG LYS 47 2HG LYS 47 -15.316 -1.029 -2.508 398 1HD LYS 47 1HD LYS 47 -16.630 0.908 -0.615 399 2HD LYS 47 2HD LYS 47 -17.493 -0.535 -1.148 400 1HE LYS 47 1HE LYS 47 -15.102 -1.650 -0.494 401 2HE LYS 47 2HE LYS 47 -15.151 -0.307 0.665 402 1HZ LYS 47 1HZ LYS 47 -17.362 -2.233 0.175 403 2HZ LYS 47 2HZ LYS 47 -17.384 -0.954 1.293 404 3HZ LYS 47 3HZ LYS 47 -16.324 -2.265 1.515 405 H GLU 48 H GLU 48 -14.072 4.056 -2.955 406 HA GLU 48 HA GLU 48 -16.735 5.025 -3.159 407 1HB GLU 48 1HB GLU 48 -13.996 6.250 -3.183 408 2HB GLU 48 2HB GLU 48 -15.382 7.281 -3.536 409 1HG GLU 48 1HG GLU 48 -16.449 6.439 -1.410 410 2HG GLU 48 2HG GLU 48 -14.926 5.628 -1.038 411 HA PRO 49 HA PRO 49 -17.213 5.195 -7.570 412 1HB PRO 49 1HB PRO 49 -19.303 6.953 -7.740 413 2HB PRO 49 2HB PRO 49 -19.499 5.265 -7.227 414 1HG PRO 49 1HG PRO 49 -19.375 7.739 -5.584 415 2HG PRO 49 2HG PRO 49 -20.379 6.297 -5.378 416 1HD PRO 49 1HD PRO 49 -18.132 6.795 -3.913 417 2HD PRO 49 2HD PRO 49 -18.747 5.162 -4.251 418 H LYS 50 H LYS 50 -17.167 8.304 -5.754 419 HA LYS 50 HA LYS 50 -16.613 10.054 -7.943 420 1HB LYS 50 1HB LYS 50 -16.016 10.062 -4.993 421 2HB LYS 50 2HB LYS 50 -15.345 11.338 -6.012 422 1HG LYS 50 1HG LYS 50 -18.278 10.611 -6.080 423 2HG LYS 50 2HG LYS 50 -17.637 11.807 -4.952 424 1HD LYS 50 1HD LYS 50 -17.037 13.290 -6.657 425 2HD LYS 50 2HD LYS 50 -16.977 12.017 -7.877 426 1HE LYS 50 1HE LYS 50 -19.461 11.780 -7.709 427 2HE LYS 50 2HE LYS 50 -19.482 13.153 -6.584 428 1HZ LYS 50 1HZ LYS 50 -18.474 13.142 -9.377 429 2HZ LYS 50 2HZ LYS 50 -18.229 14.424 -8.290 430 3HZ LYS 50 3HZ LYS 50 -19.802 14.008 -8.776 431 H MET 51 H MET 51 -14.383 7.958 -6.073 432 HA MET 51 HA MET 51 -12.017 9.063 -7.457 433 1HB MET 51 1HB MET 51 -12.350 6.667 -5.641 434 2HB MET 51 2HB MET 51 -10.814 7.375 -6.119 435 1HG MET 51 1HG MET 51 -12.996 8.765 -4.535 436 2HG MET 51 2HG MET 51 -11.480 8.159 -3.879 437 1HE MET 51 1HE MET 51 -9.018 9.706 -4.169 438 2HE MET 51 2HE MET 51 -8.849 10.132 -5.868 439 3HE MET 51 3HE MET 51 -9.401 8.521 -5.424 440 H ALA 52 H ALA 52 -14.138 6.206 -7.797 441 HA ALA 52 HA ALA 52 -12.517 4.513 -9.383 442 1HB ALA 52 1HB ALA 52 -14.569 3.544 -8.969 443 2HB ALA 52 2HB ALA 52 -14.948 4.200 -10.561 444 3HB ALA 52 3HB ALA 52 -15.433 5.076 -9.109 445 H ALA 53 H ALA 53 -14.330 7.437 -10.389 446 HA ALA 53 HA ALA 53 -13.956 7.197 -13.220 447 1HB ALA 53 1HB ALA 53 -14.080 9.777 -13.080 448 2HB ALA 53 2HB ALA 53 -14.206 9.554 -11.336 449 3HB ALA 53 3HB ALA 53 -15.438 8.878 -12.401 450 H SER 54 H SER 54 -11.695 8.324 -10.678 451 HA SER 54 HA SER 54 -9.688 9.029 -12.782 452 1HB SER 54 1HB SER 54 -9.771 9.421 -9.766 453 2HB SER 54 2HB SER 54 -8.476 9.999 -10.814 454 HG SER 54 HG SER 54 -11.177 10.801 -10.678 455 H LEU 55 H LEU 55 -10.003 6.943 -9.851 456 HA LEU 55 HA LEU 55 -7.412 5.749 -9.981 457 1HB LEU 55 1HB LEU 55 -10.094 4.982 -8.896 458 2HB LEU 55 2HB LEU 55 -8.856 3.726 -8.982 459 HG LEU 55 HG LEU 55 -8.118 6.401 -7.852 460 1HD1 LEU 55 1HD1 LEU 55 -9.058 4.381 -5.903 461 2HD1 LEU 55 2HD1 LEU 55 -10.330 5.159 -6.847 462 3HD1 LEU 55 3HD1 LEU 55 -9.227 6.136 -5.881 463 1HD2 LEU 55 1HD2 LEU 55 -7.146 3.594 -7.825 464 2HD2 LEU 55 2HD2 LEU 55 -6.941 4.494 -6.323 465 3HD2 LEU 55 3HD2 LEU 55 -6.232 5.101 -7.818 466 H LEU 56 H LEU 56 -10.375 4.990 -11.850 467 HA LEU 56 HA LEU 56 -8.824 2.860 -13.277 468 1HB LEU 56 1HB LEU 56 -11.234 2.719 -12.020 469 2HB LEU 56 2HB LEU 56 -11.759 3.159 -13.643 470 HG LEU 56 HG LEU 56 -11.686 0.714 -13.395 471 1HD1 LEU 56 1HD1 LEU 56 -9.400 1.678 -15.141 472 2HD1 LEU 56 2HD1 LEU 56 -11.103 1.779 -15.587 473 3HD1 LEU 56 3HD1 LEU 56 -10.343 0.203 -15.356 474 1HD2 LEU 56 1HD2 LEU 56 -9.178 1.329 -12.063 475 2HD2 LEU 56 2HD2 LEU 56 -8.923 0.141 -13.341 476 3HD2 LEU 56 3HD2 LEU 56 -10.098 -0.175 -12.065 477 H ASN 57 H ASN 57 -8.556 5.800 -13.902 478 HA ASN 57 HA ASN 57 -9.932 5.905 -16.542 479 1HB ASN 57 1HB ASN 57 -9.541 7.749 -14.447 480 2HB ASN 57 2HB ASN 57 -8.460 8.282 -15.732 481 1HD2 ASN 57 1HD2 ASN 57 -9.539 9.869 -16.968 482 2HD2 ASN 57 2HD2 ASN 57 -11.166 9.769 -17.441 483 HA PRO 58 HA PRO 58 -5.755 4.869 -17.969 484 1HB PRO 58 1HB PRO 58 -6.440 4.473 -20.589 485 2HB PRO 58 2HB PRO 58 -6.658 3.236 -19.334 486 1HG PRO 58 1HG PRO 58 -8.657 5.099 -20.521 487 2HG PRO 58 2HG PRO 58 -8.827 3.392 -20.080 488 1HD PRO 58 1HD PRO 58 -9.774 5.419 -18.541 489 2HD PRO 58 2HD PRO 58 -9.226 3.866 -17.870 490 H TYR 59 H TYR 59 -7.839 7.535 -18.717 491 HA TYR 59 HA TYR 59 -6.016 8.801 -20.655 492 1HB TYR 59 1HB TYR 59 -8.649 9.455 -19.319 493 2HB TYR 59 2HB TYR 59 -7.836 10.605 -20.394 494 HD1 TYR 59 HD1 TYR 59 -7.859 10.311 -22.770 495 HD2 TYR 59 HD2 TYR 59 -9.301 7.180 -20.200 496 HE1 TYR 59 HE1 TYR 59 -8.752 9.098 -24.740 497 HE2 TYR 59 HE2 TYR 59 -10.184 5.971 -22.166 498 HH TYR 59 HH TYR 59 -9.493 5.991 -24.804 499 H VAL 60 H VAL 60 -5.628 8.434 -17.372 500 HA VAL 60 HA VAL 60 -4.961 11.307 -16.875 501 HB VAL 60 HB VAL 60 -5.131 8.916 -15.002 502 1HG1 VAL 60 1HG1 VAL 60 -5.428 10.972 -13.367 503 2HG1 VAL 60 2HG1 VAL 60 -4.548 11.835 -14.628 504 3HG1 VAL 60 3HG1 VAL 60 -3.814 10.439 -13.838 505 1HG2 VAL 60 1HG2 VAL 60 -7.255 9.980 -16.259 506 2HG2 VAL 60 2HG2 VAL 60 -7.100 11.161 -14.961 507 3HG2 VAL 60 3HG2 VAL 60 -7.336 9.457 -14.577 508 H LYS 61 H LYS 61 -3.236 9.246 -18.508 509 HA LYS 61 HA LYS 61 -0.963 8.652 -18.672 510 1HB LYS 61 1HB LYS 61 -1.319 11.335 -18.116 511 2HB LYS 61 2HB LYS 61 -0.134 10.856 -16.903 512 1HG LYS 61 1HG LYS 61 1.254 11.383 -18.696 513 2HG LYS 61 2HG LYS 61 1.026 9.651 -18.943 514 1HD LYS 61 1HD LYS 61 -0.705 10.047 -20.587 515 2HD LYS 61 2HD LYS 61 -0.693 11.777 -20.248 516 1HE LYS 61 1HE LYS 61 1.813 11.696 -20.919 517 2HE LYS 61 2HE LYS 61 1.413 10.131 -21.654 518 1HZ LYS 61 1HZ LYS 61 1.013 11.796 -23.288 519 2HZ LYS 61 2HZ LYS 61 0.130 12.753 -22.196 520 3HZ LYS 61 3HZ LYS 61 -0.502 11.271 -22.736 521 H ARG 62 H ARG 62 1.208 8.665 -17.023 522 HA ARG 62 HA ARG 62 0.295 7.064 -14.656 523 1HB ARG 62 1HB ARG 62 1.692 5.936 -16.371 524 2HB ARG 62 2HB ARG 62 2.947 7.155 -16.142 525 1HG ARG 62 1HG ARG 62 3.553 6.344 -14.059 526 2HG ARG 62 2HG ARG 62 1.949 5.688 -13.732 527 1HD ARG 62 1HD ARG 62 3.239 3.748 -14.138 528 2HD ARG 62 2HD ARG 62 2.502 4.058 -15.724 529 HE ARG 62 HE ARG 62 5.308 4.731 -14.977 530 1HH1 ARG 62 1HH1 ARG 62 4.485 2.829 -17.210 531 2HH1 ARG 62 2HH1 ARG 62 4.722 3.826 -18.605 532 1HH2 ARG 62 1HH2 ARG 62 4.862 6.782 -16.797 533 2HH2 ARG 62 2HH2 ARG 62 4.935 6.064 -18.372 534 H SER 63 H SER 63 2.937 9.357 -15.605 535 HA SER 63 HA SER 63 3.823 9.944 -12.943 536 1HB SER 63 1HB SER 63 5.243 10.743 -14.618 537 2HB SER 63 2HB SER 63 3.910 11.331 -15.608 538 HG SER 63 HG SER 63 4.979 13.065 -14.640 539 H VAL 64 H VAL 64 1.219 11.453 -14.910 540 HA VAL 64 HA VAL 64 0.595 13.536 -12.983 541 HB VAL 64 HB VAL 64 -1.129 12.186 -15.104 542 1HG1 VAL 64 1HG1 VAL 64 -1.437 14.926 -13.838 543 2HG1 VAL 64 2HG1 VAL 64 -2.377 13.512 -13.360 544 3HG1 VAL 64 3HG1 VAL 64 -2.529 14.161 -14.993 545 1HG2 VAL 64 1HG2 VAL 64 1.185 13.525 -15.546 546 2HG2 VAL 64 2HG2 VAL 64 0.062 14.884 -15.499 547 3HG2 VAL 64 3HG2 VAL 64 -0.180 13.580 -16.661 548 H LYS 65 H LYS 65 -0.701 10.222 -13.519 549 HA LYS 65 HA LYS 65 -2.699 10.387 -11.412 550 1HB LYS 65 1HB LYS 65 -2.184 8.642 -13.419 551 2HB LYS 65 2HB LYS 65 -1.433 7.767 -12.085 552 1HG LYS 65 1HG LYS 65 -4.123 8.923 -11.564 553 2HG LYS 65 2HG LYS 65 -4.057 7.548 -12.666 554 1HD LYS 65 1HD LYS 65 -2.535 6.468 -10.840 555 2HD LYS 65 2HD LYS 65 -3.236 7.686 -9.774 556 1HE LYS 65 1HE LYS 65 -4.715 5.855 -9.528 557 2HE LYS 65 2HE LYS 65 -5.528 6.847 -10.756 558 1HZ LYS 65 1HZ LYS 65 -4.558 5.561 -12.487 559 2HZ LYS 65 2HZ LYS 65 -5.250 4.463 -11.390 560 3HZ LYS 65 3HZ LYS 65 -3.569 4.711 -11.401 561 H VAL 66 H VAL 66 0.708 9.241 -11.494 562 HA VAL 66 HA VAL 66 0.775 8.280 -8.766 563 HB VAL 66 HB VAL 66 2.990 9.437 -10.507 564 1HG1 VAL 66 1HG1 VAL 66 4.306 7.710 -9.018 565 2HG1 VAL 66 2HG1 VAL 66 2.961 7.940 -7.901 566 3HG1 VAL 66 3HG1 VAL 66 3.952 9.317 -8.383 567 1HG2 VAL 66 1HG2 VAL 66 3.094 7.436 -11.598 568 2HG2 VAL 66 2HG2 VAL 66 1.427 7.248 -11.056 569 3HG2 VAL 66 3HG2 VAL 66 2.740 6.511 -10.139 570 H LYS 67 H LYS 67 1.433 11.511 -10.208 571 HA LYS 67 HA LYS 67 2.395 12.804 -7.836 572 1HB LYS 67 1HB LYS 67 2.095 13.569 -10.378 573 2HB LYS 67 2HB LYS 67 0.603 14.267 -9.748 574 1HG LYS 67 1HG LYS 67 3.146 14.727 -8.233 575 2HG LYS 67 2HG LYS 67 2.862 15.656 -9.706 576 1HD LYS 67 1HD LYS 67 0.589 15.468 -7.795 577 2HD LYS 67 2HD LYS 67 1.960 16.458 -7.296 578 1HE LYS 67 1HE LYS 67 1.670 17.292 -9.881 579 2HE LYS 67 2HE LYS 67 -0.016 16.943 -9.447 580 1HZ LYS 67 1HZ LYS 67 0.267 18.221 -7.421 581 2HZ LYS 67 2HZ LYS 67 0.623 19.188 -8.772 582 3HZ LYS 67 3HZ LYS 67 1.880 18.556 -7.821 583 H SER 68 H SER 68 -0.966 12.213 -8.962 584 HA SER 68 HA SER 68 -2.332 13.822 -7.027 585 1HB SER 68 1HB SER 68 -3.396 12.706 -8.980 586 2HB SER 68 2HB SER 68 -3.146 11.141 -8.212 587 HG SER 68 HG SER 68 -5.263 12.178 -7.904 588 H LEU 69 H LEU 69 -1.109 10.449 -6.774 589 HA LEU 69 HA LEU 69 -2.227 9.897 -4.172 590 1HB LEU 69 1HB LEU 69 0.039 8.836 -5.838 591 2HB LEU 69 2HB LEU 69 -0.069 8.333 -4.149 592 HG LEU 69 HG LEU 69 -2.656 8.006 -4.896 593 1HD1 LEU 69 1HD1 LEU 69 -0.947 7.550 -7.356 594 2HD1 LEU 69 2HD1 LEU 69 -2.350 8.607 -7.209 595 3HD1 LEU 69 3HD1 LEU 69 -2.555 6.856 -7.152 596 1HD2 LEU 69 1HD2 LEU 69 -1.704 5.568 -5.559 597 2HD2 LEU 69 2HD2 LEU 69 -1.766 6.141 -3.893 598 3HD2 LEU 69 3HD2 LEU 69 -0.260 6.240 -4.804 599 H SER 70 H SER 70 1.049 11.113 -5.097 600 HA SER 70 HA SER 70 1.965 11.506 -2.383 601 1HB SER 70 1HB SER 70 3.497 11.490 -4.299 602 2HB SER 70 2HB SER 70 2.696 12.898 -4.990 603 HG SER 70 HG SER 70 3.522 14.150 -3.408 604 H ASP 71 H ASP 71 0.281 13.697 -4.689 605 HA ASP 71 HA ASP 71 0.266 15.969 -2.863 606 1HB ASP 71 1HB ASP 71 -0.091 15.843 -5.451 607 2HB ASP 71 2HB ASP 71 -1.772 15.498 -5.041 608 H MET 72 H MET 72 -1.696 13.055 -3.026 609 HA MET 72 HA MET 72 -3.916 14.287 -1.474 610 1HB MET 72 1HB MET 72 -4.345 12.571 -3.245 611 2HB MET 72 2HB MET 72 -3.374 11.413 -2.335 612 1HG MET 72 1HG MET 72 -4.943 11.741 -0.391 613 2HG MET 72 2HG MET 72 -5.964 12.712 -1.450 614 1HE MET 72 1HE MET 72 -5.059 8.227 -1.695 615 2HE MET 72 2HE MET 72 -4.624 9.351 -0.410 616 3HE MET 72 3HE MET 72 -3.807 9.445 -1.968 617 H THR 73 H THR 73 -1.310 11.844 -1.119 618 HA THR 73 HA THR 73 -1.728 11.204 1.638 619 HB THR 73 HB THR 73 0.584 11.184 -0.299 620 HG1 THR 73 HG1 THR 73 0.295 9.021 -0.124 621 1HG2 THR 73 1HG2 THR 73 1.818 9.862 1.563 622 2HG2 THR 73 2HG2 THR 73 0.767 10.754 2.665 623 3HG2 THR 73 3HG2 THR 73 1.865 11.624 1.594 624 H ALA 74 H ALA 74 0.002 13.957 0.083 625 HA ALA 74 HA ALA 74 1.287 15.042 2.392 626 1HB ALA 74 1HB ALA 74 -0.064 16.548 0.119 627 2HB ALA 74 2HB ALA 74 1.548 15.839 0.030 628 3HB ALA 74 3HB ALA 74 1.229 17.164 1.149 629 H LYS 75 H LYS 75 -2.113 15.407 1.276 630 HA LYS 75 HA LYS 75 -2.705 16.916 3.797 631 1HB LYS 75 1HB LYS 75 -4.092 16.625 1.120 632 2HB LYS 75 2HB LYS 75 -4.854 17.414 2.501 633 1HG LYS 75 1HG LYS 75 -3.119 19.084 2.601 634 2HG LYS 75 2HG LYS 75 -2.149 18.222 1.406 635 1HD LYS 75 1HD LYS 75 -3.559 18.809 -0.362 636 2HD LYS 75 2HD LYS 75 -4.937 19.093 0.703 637 1HE LYS 75 1HE LYS 75 -3.565 21.049 1.682 638 2HE LYS 75 2HE LYS 75 -2.530 20.868 0.251 639 1HZ LYS 75 1HZ LYS 75 -4.296 22.384 -0.275 640 2HZ LYS 75 2HZ LYS 75 -5.472 21.287 0.275 641 3HZ LYS 75 3HZ LYS 75 -4.566 20.937 -1.119 642 H GLU 76 H GLU 76 -2.425 13.814 3.452 643 HA GLU 76 HA GLU 76 -5.193 13.092 4.339 644 1HB GLU 76 1HB GLU 76 -4.298 12.090 2.221 645 2HB GLU 76 2HB GLU 76 -3.007 11.348 3.166 646 1HG GLU 76 1HG GLU 76 -4.432 9.851 4.200 647 2HG GLU 76 2HG GLU 76 -5.825 10.926 4.071 648 H LYS 77 H LYS 77 -2.216 13.776 5.747 649 HA LYS 77 HA LYS 77 -1.217 13.180 7.769 650 1HB LYS 77 1HB LYS 77 -4.039 12.153 8.226 651 2HB LYS 77 2HB LYS 77 -2.855 12.474 9.492 652 1HG LYS 77 1HG LYS 77 -2.721 14.856 8.515 653 2HG LYS 77 2HG LYS 77 -4.206 14.451 7.653 654 1HD LYS 77 1HD LYS 77 -5.425 14.146 9.660 655 2HD LYS 77 2HD LYS 77 -3.956 14.042 10.633 656 1HE LYS 77 1HE LYS 77 -4.337 16.567 9.096 657 2HE LYS 77 2HE LYS 77 -5.403 16.312 10.492 658 1HZ LYS 77 1HZ LYS 77 -2.444 16.024 10.505 659 2HZ LYS 77 2HZ LYS 77 -3.471 15.778 11.836 660 3HZ LYS 77 3HZ LYS 77 -3.302 17.330 11.164 661 H PHE 78 H PHE 78 -0.923 11.211 5.581 662 HA PHE 78 HA PHE 78 -1.453 8.529 6.528 663 1HB PHE 78 1HB PHE 78 0.217 9.810 4.432 664 2HB PHE 78 2HB PHE 78 0.799 8.241 4.985 665 HD1 PHE 78 HD1 PHE 78 -0.991 9.552 2.434 666 HD2 PHE 78 HD2 PHE 78 -1.516 6.684 5.586 667 HE1 PHE 78 HE1 PHE 78 -2.781 8.444 1.124 668 HE2 PHE 78 HE2 PHE 78 -3.310 5.574 4.274 669 HZ PHE 78 HZ PHE 78 -3.942 6.453 2.047 670 H SER 79 H SER 79 0.839 7.075 6.805 671 HA SER 79 HA SER 79 2.126 8.334 9.181 672 1HB SER 79 1HB SER 79 2.123 5.390 8.757 673 2HB SER 79 2HB SER 79 1.869 6.305 10.237 674 HG SER 79 HG SER 79 -0.212 6.672 9.658 675 HA PRO 80 HA PRO 80 6.049 7.550 7.376 676 1HB PRO 80 1HB PRO 80 7.505 5.995 9.071 677 2HB PRO 80 2HB PRO 80 7.115 7.693 9.394 678 1HG PRO 80 1HG PRO 80 5.924 5.234 10.526 679 2HG PRO 80 2HG PRO 80 6.176 6.817 11.272 680 1HD PRO 80 1HD PRO 80 3.775 5.873 10.294 681 2HD PRO 80 2HD PRO 80 4.155 7.583 10.588 682 H LEU 81 H LEU 81 4.026 4.771 7.789 683 HA LEU 81 HA LEU 81 5.866 3.163 6.064 684 1HB LEU 81 1HB LEU 81 3.879 2.563 8.237 685 2HB LEU 81 2HB LEU 81 4.142 1.357 6.965 686 HG LEU 81 HG LEU 81 6.603 2.561 8.113 687 1HD1 LEU 81 1HD1 LEU 81 6.549 1.332 10.158 688 2HD1 LEU 81 2HD1 LEU 81 5.076 0.484 9.690 689 3HD1 LEU 81 3HD1 LEU 81 5.018 2.203 10.077 690 1HD2 LEU 81 1HD2 LEU 81 5.625 -0.101 7.116 691 2HD2 LEU 81 2HD2 LEU 81 7.066 -0.037 8.132 692 3HD2 LEU 81 3HD2 LEU 81 7.028 0.835 6.599 693 H THR 82 H THR 82 3.384 5.283 5.606 694 HA THR 82 HA THR 82 2.050 3.501 3.629 695 HB THR 82 HB THR 82 0.709 5.903 4.851 696 HG1 THR 82 HG1 THR 82 0.321 4.794 6.675 697 1HG2 THR 82 1HG2 THR 82 0.060 3.516 3.288 698 2HG2 THR 82 2HG2 THR 82 -0.921 4.939 3.610 699 3HG2 THR 82 3HG2 THR 82 -0.906 3.603 4.756 700 H SER 83 H SER 83 4.242 6.055 3.636 701 HA SER 83 HA SER 83 2.985 7.236 1.189 702 1HB SER 83 1HB SER 83 4.385 9.199 1.690 703 2HB SER 83 2HB SER 83 3.486 8.756 3.138 704 HG SER 83 HG SER 83 5.596 9.030 3.744 705 H ASN 84 H ASN 84 4.355 4.687 1.253 706 HA ASN 84 HA ASN 84 6.548 5.238 -0.698 707 1HB ASN 84 1HB ASN 84 7.621 4.843 1.490 708 2HB ASN 84 2HB ASN 84 6.645 3.395 1.734 709 1HD2 ASN 84 1HD2 ASN 84 8.570 1.972 1.794 710 2HD2 ASN 84 2HD2 ASN 84 9.455 1.655 0.381 711 H LEU 85 H LEU 85 4.835 2.533 0.987 712 HA LEU 85 HA LEU 85 4.575 0.839 -1.324 713 1HB LEU 85 1HB LEU 85 4.180 -0.002 0.938 714 2HB LEU 85 2HB LEU 85 2.909 1.187 1.212 715 HG LEU 85 HG LEU 85 1.555 0.126 -0.580 716 1HD1 LEU 85 1HD1 LEU 85 4.036 -1.542 -0.801 717 2HD1 LEU 85 2HD1 LEU 85 2.994 -0.912 -2.078 718 3HD1 LEU 85 3HD1 LEU 85 2.477 -2.303 -1.125 719 1HD2 LEU 85 1HD2 LEU 85 0.858 -1.752 0.718 720 2HD2 LEU 85 2HD2 LEU 85 1.511 -0.599 1.882 721 3HD2 LEU 85 3HD2 LEU 85 2.475 -1.987 1.380 722 H ILE 86 H ILE 86 2.794 3.761 -0.225 723 HA ILE 86 HA ILE 86 0.430 3.471 -1.785 724 HB ILE 86 HB ILE 86 0.895 5.222 -0.048 725 1HG1 ILE 86 1HG1 ILE 86 0.202 7.009 -2.238 726 2HG1 ILE 86 2HG1 ILE 86 -0.604 5.453 -2.428 727 1HG2 ILE 86 1HG2 ILE 86 3.195 5.790 -0.831 728 2HG2 ILE 86 2HG2 ILE 86 2.172 7.214 -0.644 729 3HG2 ILE 86 3HG2 ILE 86 2.490 6.564 -2.251 730 1HD1 ILE 86 1HD1 ILE 86 -0.584 6.733 0.278 731 2HD1 ILE 86 2HD1 ILE 86 -1.791 5.669 -0.451 732 3HD1 ILE 86 3HD1 ILE 86 -1.690 7.358 -0.947 733 H ASN 87 H ASN 87 3.697 4.617 -2.736 734 HA ASN 87 HA ASN 87 2.949 5.493 -5.397 735 1HB ASN 87 1HB ASN 87 5.476 4.677 -3.985 736 2HB ASN 87 2HB ASN 87 5.513 4.831 -5.741 737 1HD2 ASN 87 1HD2 ASN 87 5.961 6.628 -2.902 738 2HD2 ASN 87 2HD2 ASN 87 5.689 8.175 -3.545 739 H LEU 88 H LEU 88 4.333 2.382 -4.202 740 HA LEU 88 HA LEU 88 4.407 0.907 -6.610 741 1HB LEU 88 1HB LEU 88 4.059 0.309 -3.720 742 2HB LEU 88 2HB LEU 88 3.535 -0.968 -4.814 743 HG LEU 88 HG LEU 88 6.118 0.223 -5.572 744 1HD1 LEU 88 1HD1 LEU 88 7.365 -0.953 -3.754 745 2HD1 LEU 88 2HD1 LEU 88 5.831 -1.255 -2.939 746 3HD1 LEU 88 3HD1 LEU 88 6.403 0.399 -3.155 747 1HD2 LEU 88 1HD2 LEU 88 5.289 -1.800 -6.626 748 2HD2 LEU 88 2HD2 LEU 88 5.081 -2.583 -5.059 749 3HD2 LEU 88 3HD2 LEU 88 6.702 -2.229 -5.661 750 H LEU 89 H LEU 89 1.573 1.531 -4.495 751 HA LEU 89 HA LEU 89 -0.279 -0.161 -5.919 752 1HB LEU 89 1HB LEU 89 -0.447 2.192 -4.060 753 2HB LEU 89 2HB LEU 89 -1.912 1.702 -4.913 754 HG LEU 89 HG LEU 89 -0.180 -0.216 -3.338 755 1HD1 LEU 89 1HD1 LEU 89 -1.445 0.150 -1.447 756 2HD1 LEU 89 2HD1 LEU 89 -2.860 0.671 -2.363 757 3HD1 LEU 89 3HD1 LEU 89 -1.503 1.773 -2.133 758 1HD2 LEU 89 1HD2 LEU 89 -2.084 -0.690 -5.277 759 2HD2 LEU 89 2HD2 LEU 89 -3.038 -0.770 -3.795 760 3HD2 LEU 89 3HD2 LEU 89 -1.641 -1.825 -4.001 761 H ALA 90 H ALA 90 0.632 3.289 -6.365 762 HA ALA 90 HA ALA 90 -0.996 3.297 -8.884 763 1HB ALA 90 1HB ALA 90 -0.377 5.875 -8.484 764 2HB ALA 90 2HB ALA 90 -0.167 5.300 -6.829 765 3HB ALA 90 3HB ALA 90 -1.722 5.107 -7.641 766 H GLU 91 H GLU 91 1.835 2.127 -8.577 767 HA GLU 91 HA GLU 91 3.180 3.940 -10.567 768 1HB GLU 91 1HB GLU 91 4.215 3.971 -8.317 769 2HB GLU 91 2HB GLU 91 4.398 2.218 -8.380 770 1HG GLU 91 1HG GLU 91 6.473 2.760 -9.187 771 2HG GLU 91 2HG GLU 91 5.599 2.889 -10.714 772 H ASN 92 H ASN 92 3.349 0.531 -9.330 773 HA ASN 92 HA ASN 92 4.212 -0.399 -12.006 774 1HB ASN 92 1HB ASN 92 3.814 -1.591 -9.274 775 2HB ASN 92 2HB ASN 92 3.913 -2.670 -10.666 776 1HD2 ASN 92 1HD2 ASN 92 5.716 0.203 -9.339 777 2HD2 ASN 92 2HD2 ASN 92 7.244 -0.407 -9.756 778 H GLY 93 H GLY 93 1.269 -0.616 -9.954 779 1HA GLY 93 1HA GLY 93 -0.820 -0.506 -11.471 780 2HA GLY 93 2HA GLY 93 -0.122 -1.928 -12.248 781 H ARG 94 H ARG 94 -0.777 -0.863 -8.844 782 HA ARG 94 HA ARG 94 -1.870 -3.622 -8.374 783 1HB ARG 94 1HB ARG 94 0.329 -2.329 -7.240 784 2HB ARG 94 2HB ARG 94 -0.936 -2.130 -6.030 785 1HG ARG 94 1HG ARG 94 -0.281 -4.214 -5.371 786 2HG ARG 94 2HG ARG 94 -1.311 -4.742 -6.701 787 1HD ARG 94 1HD ARG 94 1.517 -4.004 -7.357 788 2HD ARG 94 2HD ARG 94 1.225 -5.557 -6.549 789 HE ARG 94 HE ARG 94 -0.157 -4.752 -9.085 790 1HH1 ARG 94 1HH1 ARG 94 -0.816 -7.124 -7.080 791 2HH1 ARG 94 2HH1 ARG 94 -0.225 -8.447 -8.028 792 1HH2 ARG 94 1HH2 ARG 94 1.497 -6.425 -10.259 793 2HH2 ARG 94 2HH2 ARG 94 1.086 -8.052 -9.827 794 H LEU 95 H LEU 95 -3.382 -1.095 -9.213 795 HA LEU 95 HA LEU 95 -4.974 -0.579 -6.735 796 1HB LEU 95 1HB LEU 95 -4.666 0.724 -9.444 797 2HB LEU 95 2HB LEU 95 -6.082 1.077 -8.453 798 HG LEU 95 HG LEU 95 -3.269 1.290 -7.365 799 1HD1 LEU 95 1HD1 LEU 95 -3.681 3.808 -7.718 800 2HD1 LEU 95 2HD1 LEU 95 -4.930 3.319 -8.865 801 3HD1 LEU 95 3HD1 LEU 95 -3.249 2.862 -9.143 802 1HD2 LEU 95 1HD2 LEU 95 -5.914 2.529 -6.533 803 2HD2 LEU 95 2HD2 LEU 95 -4.372 2.729 -5.699 804 3HD2 LEU 95 3HD2 LEU 95 -5.149 1.147 -5.749 805 H THR 96 H THR 96 -7.526 -0.354 -7.535 806 HA THR 96 HA THR 96 -9.438 -1.423 -8.473 807 HB THR 96 HB THR 96 -7.832 -3.627 -9.710 808 HG1 THR 96 HG1 THR 96 -7.058 -2.316 -11.290 809 1HG2 THR 96 1HG2 THR 96 -9.578 -3.691 -11.194 810 2HG2 THR 96 2HG2 THR 96 -9.779 -1.939 -11.193 811 3HG2 THR 96 3HG2 THR 96 -10.422 -2.901 -9.862 812 H ASN 97 H ASN 97 -6.871 -3.835 -7.561 813 HA ASN 97 HA ASN 97 -8.893 -5.144 -5.787 814 1HB ASN 97 1HB ASN 97 -6.118 -5.999 -6.707 815 2HB ASN 97 2HB ASN 97 -7.234 -6.991 -5.767 816 1HD2 ASN 97 1HD2 ASN 97 -6.455 -5.893 -9.013 817 2HD2 ASN 97 2HD2 ASN 97 -7.728 -6.702 -9.792 818 H THR 98 H THR 98 -7.549 -2.490 -5.186 819 HA THR 98 HA THR 98 -5.371 -2.503 -3.494 820 HB THR 98 HB THR 98 -7.582 -0.896 -2.431 821 HG1 THR 98 HG1 THR 98 -8.526 -0.571 -4.280 822 1HG2 THR 98 1HG2 THR 98 -6.026 0.935 -3.186 823 2HG2 THR 98 2HG2 THR 98 -4.970 -0.315 -3.838 824 3HG2 THR 98 3HG2 THR 98 -5.283 -0.242 -2.103 825 HA PRO 99 HA PRO 99 -8.062 -3.624 0.327 826 1HB PRO 99 1HB PRO 99 -10.414 -4.964 -0.140 827 2HB PRO 99 2HB PRO 99 -10.310 -3.202 0.054 828 1HG PRO 99 1HG PRO 99 -10.463 -4.822 -2.444 829 2HG PRO 99 2HG PRO 99 -11.280 -3.304 -2.032 830 1HD PRO 99 1HD PRO 99 -9.116 -3.381 -3.618 831 2HD PRO 99 2HD PRO 99 -9.428 -2.017 -2.527 832 H ALA 100 H ALA 100 -8.254 -5.805 -2.524 833 HA ALA 100 HA ALA 100 -8.031 -8.289 -1.068 834 1HB ALA 100 1HB ALA 100 -7.318 -9.209 -3.232 835 2HB ALA 100 2HB ALA 100 -6.937 -7.591 -3.822 836 3HB ALA 100 3HB ALA 100 -8.612 -8.041 -3.503 837 H VAL 101 H VAL 101 -5.541 -6.046 -2.372 838 HA VAL 101 HA VAL 101 -3.283 -7.674 -1.480 839 HB VAL 101 HB VAL 101 -3.474 -4.701 -2.106 840 1HG1 VAL 101 1HG1 VAL 101 -1.236 -6.548 -1.470 841 2HG1 VAL 101 2HG1 VAL 101 -1.360 -4.806 -1.228 842 3HG1 VAL 101 3HG1 VAL 101 -0.970 -5.449 -2.824 843 1HG2 VAL 101 1HG2 VAL 101 -2.330 -5.798 -4.285 844 2HG2 VAL 101 2HG2 VAL 101 -4.076 -5.605 -4.134 845 3HG2 VAL 101 3HG2 VAL 101 -3.327 -7.162 -3.781 846 H ILE 102 H ILE 102 -5.170 -4.984 -0.040 847 HA ILE 102 HA ILE 102 -3.403 -4.728 2.286 848 HB ILE 102 HB ILE 102 -6.262 -3.798 1.823 849 1HG1 ILE 102 1HG1 ILE 102 -3.857 -2.017 1.656 850 2HG1 ILE 102 2HG1 ILE 102 -4.219 -3.061 0.281 851 1HG2 ILE 102 1HG2 ILE 102 -5.439 -2.020 3.530 852 2HG2 ILE 102 2HG2 ILE 102 -4.185 -3.196 3.924 853 3HG2 ILE 102 3HG2 ILE 102 -5.884 -3.612 4.143 854 1HD1 ILE 102 1HD1 ILE 102 -5.377 -1.021 -0.149 855 2HD1 ILE 102 2HD1 ILE 102 -5.978 -0.930 1.507 856 3HD1 ILE 102 3HD1 ILE 102 -6.609 -2.155 0.405 857 H SER 103 H SER 103 -6.387 -6.587 1.564 858 HA SER 103 HA SER 103 -7.123 -7.326 4.219 859 1HB SER 103 1HB SER 103 -8.476 -7.876 2.245 860 2HB SER 103 2HB SER 103 -7.205 -8.932 1.636 861 HG SER 103 HG SER 103 -8.811 -9.239 3.951 862 H ALA 104 H ALA 104 -4.660 -8.785 2.048 863 HA ALA 104 HA ALA 104 -3.925 -10.992 3.732 864 1HB ALA 104 1HB ALA 104 -2.113 -11.212 2.273 865 2HB ALA 104 2HB ALA 104 -1.854 -9.470 2.173 866 3HB ALA 104 3HB ALA 104 -3.189 -10.215 1.294 867 H PHE 105 H PHE 105 -2.977 -7.540 3.854 868 HA PHE 105 HA PHE 105 -0.783 -7.697 5.665 869 1HB PHE 105 1HB PHE 105 -1.739 -5.665 4.435 870 2HB PHE 105 2HB PHE 105 -2.968 -5.587 5.695 871 HD1 PHE 105 HD1 PHE 105 -2.008 -5.659 8.193 872 HD2 PHE 105 HD2 PHE 105 0.233 -4.469 4.735 873 HE1 PHE 105 HE1 PHE 105 -0.434 -4.426 9.634 874 HE2 PHE 105 HE2 PHE 105 1.811 -3.240 6.184 875 HZ PHE 105 HZ PHE 105 1.483 -3.230 8.634 876 H SER 106 H SER 106 -4.312 -7.486 6.376 877 HA SER 106 HA SER 106 -4.001 -7.483 9.253 878 1HB SER 106 1HB SER 106 -6.074 -7.055 7.625 879 2HB SER 106 2HB SER 106 -6.377 -8.762 7.933 880 HG SER 106 HG SER 106 -7.385 -7.307 9.448 881 H THR 107 H THR 107 -4.416 -10.167 6.903 882 HA THR 107 HA THR 107 -4.490 -12.230 8.969 883 HB THR 107 HB THR 107 -3.568 -12.678 6.128 884 HG1 THR 107 HG1 THR 107 -5.655 -12.481 5.441 885 1HG2 THR 107 1HG2 THR 107 -5.379 -14.195 8.026 886 2HG2 THR 107 2HG2 THR 107 -3.710 -14.609 7.633 887 3HG2 THR 107 3HG2 THR 107 -4.959 -14.711 6.393 888 H MET 108 H MET 108 -1.865 -10.748 7.014 889 HA MET 108 HA MET 108 0.179 -12.613 7.902 890 1HB MET 108 1HB MET 108 0.283 -9.770 6.839 891 2HB MET 108 2HB MET 108 1.714 -10.760 7.120 892 1HG MET 108 1HG MET 108 -0.589 -11.579 5.326 893 2HG MET 108 2HG MET 108 0.899 -10.837 4.742 894 1HE MET 108 1HE MET 108 2.574 -13.463 3.538 895 2HE MET 108 2HE MET 108 1.335 -12.239 3.268 896 3HE MET 108 3HE MET 108 0.886 -13.942 3.311 897 H MET 109 H MET 109 -1.092 -9.522 9.219 898 HA MET 109 HA MET 109 0.928 -9.051 11.203 899 1HB MET 109 1HB MET 109 -0.973 -7.516 10.589 900 2HB MET 109 2HB MET 109 -2.079 -8.600 11.433 901 1HG MET 109 1HG MET 109 -0.655 -8.293 13.501 902 2HG MET 109 2HG MET 109 0.222 -7.035 12.630 903 1HE MET 109 1HE MET 109 -1.481 -4.577 14.651 904 2HE MET 109 2HE MET 109 -0.125 -5.682 14.444 905 3HE MET 109 3HE MET 109 -1.483 -6.147 15.465 906 H SER 110 H SER 110 -1.991 -11.188 11.315 907 HA SER 110 HA SER 110 -1.766 -11.955 14.071 908 1HB SER 110 1HB SER 110 -2.725 -13.411 11.592 909 2HB SER 110 2HB SER 110 -2.838 -14.133 13.194 910 HG SER 110 HG SER 110 -4.086 -11.820 12.169 911 H VAL 111 H VAL 111 0.138 -13.037 11.250 912 HA VAL 111 HA VAL 111 1.414 -15.219 12.754 913 HB VAL 111 HB VAL 111 2.151 -13.881 10.124 914 1HG1 VAL 111 1HG1 VAL 111 2.984 -16.526 11.355 915 2HG1 VAL 111 2HG1 VAL 111 4.029 -15.139 11.053 916 3HG1 VAL 111 3HG1 VAL 111 3.340 -16.035 9.699 917 1HG2 VAL 111 1HG2 VAL 111 -0.170 -15.009 10.411 918 2HG2 VAL 111 2HG2 VAL 111 0.733 -16.521 10.490 919 3HG2 VAL 111 3HG2 VAL 111 0.823 -15.516 9.045 920 H HIS 112 H HIS 112 1.894 -11.779 12.758 921 HA HIS 112 HA HIS 112 4.777 -11.971 13.302 922 1HB HIS 112 1HB HIS 112 4.749 -9.766 12.717 923 2HB HIS 112 2HB HIS 112 3.132 -10.108 12.125 924 HD1 HIS 112 HD1 HIS 112 1.229 -9.812 14.245 925 HD2 HIS 112 HD2 HIS 112 4.751 -7.667 14.379 926 HE1 HIS 112 HE1 HIS 112 0.831 -7.925 15.871 927 H ARG 113 H ARG 113 1.728 -11.886 15.125 928 HA ARG 113 HA ARG 113 3.170 -11.199 17.638 929 1HB ARG 113 1HB ARG 113 0.877 -10.299 16.932 930 2HB ARG 113 2HB ARG 113 0.249 -11.916 17.252 931 1HG ARG 113 1HG ARG 113 0.571 -11.741 19.535 932 2HG ARG 113 2HG ARG 113 1.919 -10.616 19.365 933 1HD ARG 113 1HD ARG 113 0.426 -8.787 18.836 934 2HD ARG 113 2HD ARG 113 -0.962 -9.888 18.731 935 HE ARG 113 HE ARG 113 -0.517 -10.401 21.188 936 1HH1 ARG 113 1HH1 ARG 113 -1.529 -7.536 20.562 937 2HH1 ARG 113 2HH1 ARG 113 -0.536 -6.618 21.645 938 1HH2 ARG 113 1HH2 ARG 113 1.696 -9.210 22.220 939 2HH2 ARG 113 2HH2 ARG 113 1.290 -7.566 22.583 940 H GLY 114 H GLY 114 1.546 -14.011 16.087 941 1HA GLY 114 1HA GLY 114 2.266 -15.654 18.470 942 2HA GLY 114 2HA GLY 114 1.095 -16.117 17.235 943 H GLU 115 H GLU 115 4.406 -14.823 16.716 944 HA GLU 115 HA GLU 115 5.522 -17.439 16.042 945 1HB GLU 115 1HB GLU 115 3.813 -16.392 14.186 946 2HB GLU 115 2HB GLU 115 5.348 -15.724 13.631 947 1HG GLU 115 1HG GLU 115 4.895 -18.659 14.240 948 2HG GLU 115 2HG GLU 115 4.816 -17.959 12.622 949 H VAL 116 H VAL 116 7.224 -16.490 17.475 950 HA VAL 116 HA VAL 116 9.012 -14.624 15.967 951 HB VAL 116 HB VAL 116 7.677 -13.377 17.625 952 1HG1 VAL 116 1HG1 VAL 116 8.022 -13.915 20.062 953 2HG1 VAL 116 2HG1 VAL 116 8.818 -15.407 19.565 954 3HG1 VAL 116 3HG1 VAL 116 7.117 -15.146 19.179 955 1HG2 VAL 116 1HG2 VAL 116 10.597 -13.818 18.289 956 2HG2 VAL 116 2HG2 VAL 116 9.626 -12.570 19.073 957 3HG2 VAL 116 3HG2 VAL 116 9.888 -12.518 17.329 958 HA PRO 117 HA PRO 117 11.973 -17.721 17.123 959 1HB PRO 117 1HB PRO 117 14.289 -16.324 16.710 960 2HB PRO 117 2HB PRO 117 13.299 -16.965 15.384 961 1HG PRO 117 1HG PRO 117 13.466 -14.194 16.451 962 2HG PRO 117 2HG PRO 117 13.296 -14.753 14.780 963 1HD PRO 117 1HD PRO 117 11.223 -13.786 16.272 964 2HD PRO 117 2HD PRO 117 11.024 -14.941 14.937 965 H CYS 118 H CYS 118 12.759 -18.314 19.172 966 HA CYS 118 HA CYS 118 13.691 -16.138 21.002 967 1HB CYS 118 1HB CYS 118 11.450 -18.115 21.300 968 2HB CYS 118 2HB CYS 118 12.336 -17.612 22.741 969 HG CYS 118 HG CYS 118 11.007 -15.488 20.865 970 H THR 119 H THR 119 15.525 -17.779 19.684 971 HA THR 119 HA THR 119 16.253 -19.836 21.749 972 HB THR 119 HB THR 119 17.151 -19.747 18.863 973 HG1 THR 119 HG1 THR 119 15.366 -20.925 18.338 974 1HG2 THR 119 1HG2 THR 119 16.832 -21.966 20.903 975 2HG2 THR 119 2HG2 THR 119 18.356 -21.265 20.358 976 3HG2 THR 119 3HG2 THR 119 17.361 -22.193 19.236 977 H VAL 120 H VAL 120 18.048 -19.204 22.954 978 HA VAL 120 HA VAL 120 20.156 -17.590 21.563 979 HB VAL 120 HB VAL 120 18.693 -16.152 22.933 980 1HG1 VAL 120 1HG1 VAL 120 18.746 -16.536 25.450 981 2HG1 VAL 120 2HG1 VAL 120 19.406 -18.134 25.108 982 3HG1 VAL 120 3HG1 VAL 120 17.798 -17.702 24.527 983 1HG2 VAL 120 1HG2 VAL 120 20.425 -14.969 23.895 984 2HG2 VAL 120 2HG2 VAL 120 21.374 -16.096 22.927 985 3HG2 VAL 120 3HG2 VAL 120 21.127 -16.402 24.646 986 1H GLN 1 1H GLN 1 15.920 -22.393 -13.794 987 2H GLN 1 2H GLN 1 17.570 -22.790 -13.726 988 3H GLN 1 3H GLN 1 16.906 -22.152 -15.153 989 HA GLN 1 HA GLN 1 17.151 -20.699 -12.564 990 1HB GLN 1 1HB GLN 1 19.196 -21.375 -14.047 991 2HB GLN 1 2HB GLN 1 18.580 -20.158 -15.164 992 1HG GLN 1 1HG GLN 1 19.037 -18.408 -13.733 993 2HG GLN 1 2HG GLN 1 18.821 -19.397 -12.288 994 1HE2 GLN 1 1HE2 GLN 1 20.668 -20.788 -11.609 995 2HE2 GLN 1 2HE2 GLN 1 22.226 -20.491 -12.214 996 H LYS 2 H LYS 2 14.674 -20.375 -13.116 997 HA LYS 2 HA LYS 2 14.458 -17.946 -14.840 998 1HB LYS 2 1HB LYS 2 12.905 -20.539 -15.021 999 2HB LYS 2 2HB LYS 2 12.307 -19.036 -15.727 1000 1HG LYS 2 1HG LYS 2 14.802 -18.993 -16.725 1001 2HG LYS 2 2HG LYS 2 14.603 -20.739 -16.562 1002 1HD LYS 2 1HD LYS 2 12.229 -20.171 -17.673 1003 2HD LYS 2 2HD LYS 2 13.157 -18.823 -18.332 1004 1HE LYS 2 1HE LYS 2 13.601 -20.430 -19.955 1005 2HE LYS 2 2HE LYS 2 14.922 -20.792 -18.825 1006 1HZ LYS 2 1HZ LYS 2 12.224 -22.041 -18.779 1007 2HZ LYS 2 2HZ LYS 2 13.496 -22.382 -17.705 1008 3HZ LYS 2 3HZ LYS 2 13.637 -22.787 -19.348 1009 H THR 3 H THR 3 13.410 -16.363 -13.624 1010 HA THR 3 HA THR 3 11.230 -17.210 -11.771 1011 HB THR 3 HB THR 3 12.367 -15.604 -10.092 1012 HG1 THR 3 HG1 THR 3 13.890 -14.646 -11.319 1013 1HG2 THR 3 1HG2 THR 3 13.853 -18.144 -10.810 1014 2HG2 THR 3 2HG2 THR 3 12.321 -18.110 -9.936 1015 3HG2 THR 3 3HG2 THR 3 13.761 -17.383 -9.221 1016 H GLY 4 H GLY 4 9.483 -15.960 -12.469 1017 1HA GLY 4 1HA GLY 4 9.813 -13.521 -13.969 1018 2HA GLY 4 2HA GLY 4 8.294 -14.112 -13.295 1019 H THR 5 H THR 5 10.197 -11.460 -13.174 1020 HA THR 5 HA THR 5 10.477 -9.713 -11.617 1021 HB THR 5 HB THR 5 8.312 -10.765 -9.886 1022 HG1 THR 5 HG1 THR 5 7.180 -11.441 -11.537 1023 1HG2 THR 5 1HG2 THR 5 7.790 -8.560 -9.735 1024 2HG2 THR 5 2HG2 THR 5 7.966 -8.299 -11.471 1025 3HG2 THR 5 3HG2 THR 5 9.391 -8.310 -10.432 1026 H ALA 6 H ALA 6 10.702 -9.342 -9.045 1027 HA ALA 6 HA ALA 6 11.623 -11.782 -7.628 1028 1HB ALA 6 1HB ALA 6 13.855 -11.332 -7.818 1029 2HB ALA 6 2HB ALA 6 13.611 -9.590 -7.688 1030 3HB ALA 6 3HB ALA 6 13.361 -10.404 -9.233 1031 H GLU 7 H GLU 7 9.479 -9.792 -7.081 1032 HA GLU 7 HA GLU 7 8.675 -8.496 -5.286 1033 1HB GLU 7 1HB GLU 7 11.024 -9.848 -3.908 1034 2HB GLU 7 2HB GLU 7 9.648 -9.103 -3.098 1035 1HG GLU 7 1HG GLU 7 8.850 -11.251 -3.147 1036 2HG GLU 7 2HG GLU 7 8.323 -10.764 -4.757 1037 H VAL 8 H VAL 8 10.073 -6.941 -7.017 1038 HA VAL 8 HA VAL 8 12.438 -5.630 -6.093 1039 HB VAL 8 HB VAL 8 10.079 -4.491 -7.644 1040 1HG1 VAL 8 1HG1 VAL 8 12.260 -3.175 -8.567 1041 2HG1 VAL 8 2HG1 VAL 8 12.747 -3.422 -6.890 1042 3HG1 VAL 8 3HG1 VAL 8 11.254 -2.560 -7.256 1043 1HG2 VAL 8 1HG2 VAL 8 10.792 -6.172 -9.043 1044 2HG2 VAL 8 2HG2 VAL 8 12.398 -6.235 -8.317 1045 3HG2 VAL 8 3HG2 VAL 8 12.003 -4.966 -9.478 1046 H SER 9 H SER 9 8.993 -4.913 -5.348 1047 HA SER 9 HA SER 9 9.431 -2.562 -3.754 1048 1HB SER 9 1HB SER 9 7.202 -2.878 -3.073 1049 2HB SER 9 2HB SER 9 7.242 -3.810 -4.567 1050 HG SER 9 HG SER 9 6.357 -4.866 -2.614 1051 H SER 10 H SER 10 9.593 -6.045 -2.910 1052 HA SER 10 HA SER 10 10.051 -5.637 -0.066 1053 1HB SER 10 1HB SER 10 9.307 -7.783 -1.022 1054 2HB SER 10 2HB SER 10 10.792 -7.901 -1.961 1055 HG SER 10 HG SER 10 11.217 -9.059 -0.172 1056 H ILE 11 H ILE 11 12.240 -5.996 -2.894 1057 HA ILE 11 HA ILE 11 14.703 -6.004 -1.377 1058 HB ILE 11 HB ILE 11 14.085 -5.103 -4.220 1059 1HG1 ILE 11 1HG1 ILE 11 13.506 -7.464 -3.777 1060 2HG1 ILE 11 2HG1 ILE 11 14.911 -7.359 -4.832 1061 1HG2 ILE 11 1HG2 ILE 11 16.452 -4.689 -2.779 1062 2HG2 ILE 11 2HG2 ILE 11 16.271 -4.635 -4.531 1063 3HG2 ILE 11 3HG2 ILE 11 16.775 -6.129 -3.745 1064 1HD1 ILE 11 1HD1 ILE 11 15.428 -9.022 -3.185 1065 2HD1 ILE 11 2HD1 ILE 11 14.871 -7.985 -1.871 1066 3HD1 ILE 11 3HD1 ILE 11 16.351 -7.585 -2.744 1067 H LEU 12 H LEU 12 12.721 -3.340 -2.762 1068 HA LEU 12 HA LEU 12 14.546 -1.191 -2.228 1069 1HB LEU 12 1HB LEU 12 12.210 -1.309 -3.463 1070 2HB LEU 12 2HB LEU 12 11.570 -0.880 -1.876 1071 HG LEU 12 HG LEU 12 13.878 0.692 -2.959 1072 1HD1 LEU 12 1HD1 LEU 12 12.310 0.618 -4.843 1073 2HD1 LEU 12 2HD1 LEU 12 12.272 2.214 -4.093 1074 3HD1 LEU 12 3HD1 LEU 12 10.978 1.059 -3.774 1075 1HD2 LEU 12 1HD2 LEU 12 12.499 2.501 -1.761 1076 2HD2 LEU 12 2HD2 LEU 12 13.207 1.249 -0.740 1077 3HD2 LEU 12 3HD2 LEU 12 11.495 1.181 -1.160 1078 H GLU 13 H GLU 13 12.094 -2.749 -0.105 1079 HA GLU 13 HA GLU 13 12.310 -0.938 2.110 1080 1HB GLU 13 1HB GLU 13 11.480 -3.779 1.691 1081 2HB GLU 13 2HB GLU 13 11.804 -3.281 3.352 1082 1HG GLU 13 1HG GLU 13 10.082 -1.568 1.576 1083 2HG GLU 13 2HG GLU 13 9.392 -2.969 2.396 1084 H GLU 14 H GLU 14 14.344 -3.763 1.220 1085 HA GLU 14 HA GLU 14 15.903 -3.936 3.608 1086 1HB GLU 14 1HB GLU 14 16.326 -4.573 0.704 1087 2HB GLU 14 2HB GLU 14 17.717 -4.651 1.786 1088 1HG GLU 14 1HG GLU 14 16.540 -6.219 3.244 1089 2HG GLU 14 2HG GLU 14 15.089 -6.090 2.252 1090 H ARG 15 H ARG 15 16.296 -1.783 0.758 1091 HA ARG 15 HA ARG 15 18.810 -0.615 1.481 1092 1HB ARG 15 1HB ARG 15 17.453 -0.340 -0.672 1093 2HB ARG 15 2HB ARG 15 16.481 0.847 0.198 1094 1HG ARG 15 1HG ARG 15 18.117 2.181 -0.831 1095 2HG ARG 15 2HG ARG 15 18.775 1.939 0.789 1096 1HD ARG 15 1HD ARG 15 20.650 1.308 -0.403 1097 2HD ARG 15 2HD ARG 15 19.799 -0.248 -0.473 1098 HE ARG 15 HE ARG 15 19.695 1.822 -2.631 1099 1HH1 ARG 15 1HH1 ARG 15 21.161 -0.879 -2.798 1100 2HH1 ARG 15 2HH1 ARG 15 20.034 -1.796 -3.740 1101 1HH2 ARG 15 1HH2 ARG 15 17.418 0.430 -3.262 1102 2HH2 ARG 15 2HH2 ARG 15 17.914 -1.054 -4.003 1103 H ILE 16 H ILE 16 15.494 0.165 2.611 1104 HA ILE 16 HA ILE 16 16.578 2.380 4.276 1105 HB ILE 16 HB ILE 16 14.223 2.904 4.691 1106 1HG1 ILE 16 1HG1 ILE 16 13.422 0.543 2.982 1107 2HG1 ILE 16 2HG1 ILE 16 13.542 0.403 4.735 1108 1HG2 ILE 16 1HG2 ILE 16 14.826 2.190 1.811 1109 2HG2 ILE 16 2HG2 ILE 16 15.133 3.734 2.608 1110 3HG2 ILE 16 3HG2 ILE 16 13.475 3.205 2.318 1111 1HD1 ILE 16 1HD1 ILE 16 11.578 1.905 3.085 1112 2HD1 ILE 16 2HD1 ILE 16 12.099 2.672 4.586 1113 3HD1 ILE 16 3HD1 ILE 16 11.353 1.074 4.625 1114 H LEU 17 H LEU 17 15.273 -0.926 4.678 1115 HA LEU 17 HA LEU 17 16.150 -0.809 7.528 1116 1HB LEU 17 1HB LEU 17 13.419 -1.079 6.413 1117 2HB LEU 17 2HB LEU 17 13.821 -2.237 7.680 1118 HG LEU 17 HG LEU 17 14.518 0.648 8.094 1119 1HD1 LEU 17 1HD1 LEU 17 11.803 -0.432 8.839 1120 2HD1 LEU 17 2HD1 LEU 17 12.068 0.355 7.283 1121 3HD1 LEU 17 3HD1 LEU 17 12.342 1.245 8.780 1122 1HD2 LEU 17 1HD2 LEU 17 13.658 -1.667 9.856 1123 2HD2 LEU 17 2HD2 LEU 17 13.951 -0.033 10.454 1124 3HD2 LEU 17 3HD2 LEU 17 15.271 -0.963 9.745 1125 H GLY 18 H GLY 18 17.696 -2.467 7.551 1126 1HA GLY 18 1HA GLY 18 16.844 -5.105 6.450 1127 2HA GLY 18 2HA GLY 18 18.431 -4.460 6.032 1128 H ALA 19 H ALA 19 20.088 -4.397 7.678 1129 HA ALA 19 HA ALA 19 19.368 -5.803 10.232 1130 1HB ALA 19 1HB ALA 19 20.488 -7.430 8.962 1131 2HB ALA 19 2HB ALA 19 21.808 -6.712 9.884 1132 3HB ALA 19 3HB ALA 19 21.548 -6.243 8.204 1133 H ASP 20 H ASP 20 20.475 -5.005 12.118 1134 HA ASP 20 HA ASP 20 22.372 -2.727 11.683 1135 1HB ASP 20 1HB ASP 20 19.872 -2.178 12.167 1136 2HB ASP 20 2HB ASP 20 20.225 -2.733 13.804 1137 H THR 21 H THR 21 24.226 -3.001 12.946 1138 HA THR 21 HA THR 21 23.987 -4.590 15.472 1139 HB THR 21 HB THR 21 26.284 -5.556 14.614 1140 HG1 THR 21 HG1 THR 21 26.509 -4.330 12.792 1141 1HG2 THR 21 1HG2 THR 21 24.141 -6.814 14.951 1142 2HG2 THR 21 2HG2 THR 21 25.108 -7.423 13.607 1143 3HG2 THR 21 3HG2 THR 21 23.696 -6.413 13.293 1144 H SER 22 H SER 22 24.494 -2.885 16.922 1145 HA SER 22 HA SER 22 27.157 -1.574 16.510 1146 1HB SER 22 1HB SER 22 24.426 -0.426 16.774 1147 2HB SER 22 2HB SER 22 25.701 0.395 17.669 1148 HG SER 22 HG SER 22 25.535 1.216 15.561 1149 H VAL 23 H VAL 23 27.973 -3.093 18.189 1150 HA VAL 23 HA VAL 23 27.192 -2.232 20.938 1151 HB VAL 23 HB VAL 23 25.903 -4.247 20.328 1152 1HG1 VAL 23 1HG1 VAL 23 27.409 -5.149 18.617 1153 2HG1 VAL 23 2HG1 VAL 23 27.112 -6.365 19.858 1154 3HG1 VAL 23 3HG1 VAL 23 28.634 -5.475 19.842 1155 1HG2 VAL 23 1HG2 VAL 23 27.232 -3.864 22.631 1156 2HG2 VAL 23 2HG2 VAL 23 28.004 -5.366 22.123 1157 3HG2 VAL 23 3HG2 VAL 23 26.255 -5.303 22.342 1158 H ASP 24 H ASP 24 29.534 -1.353 19.634 1159 HA ASP 24 HA ASP 24 31.633 -2.825 21.174 1160 1HB ASP 24 1HB ASP 24 31.514 -3.558 18.769 1161 2HB ASP 24 2HB ASP 24 31.858 -1.894 18.294 1162 H LEU 25 H LEU 25 33.260 -1.415 22.025 1163 HA LEU 25 HA LEU 25 33.101 1.466 21.224 1164 1HB LEU 25 1HB LEU 25 31.872 0.550 23.418 1165 2HB LEU 25 2HB LEU 25 33.496 0.706 24.089 1166 HG LEU 25 HG LEU 25 33.471 3.073 23.013 1167 1HD1 LEU 25 1HD1 LEU 25 31.293 4.051 22.674 1168 2HD1 LEU 25 2HD1 LEU 25 30.489 2.595 23.260 1169 3HD1 LEU 25 3HD1 LEU 25 31.353 2.567 21.723 1170 1HD2 LEU 25 1HD2 LEU 25 31.965 3.854 25.031 1171 2HD2 LEU 25 2HD2 LEU 25 33.501 3.048 25.349 1172 3HD2 LEU 25 3HD2 LEU 25 31.992 2.143 25.458 Start of MODEL 8 1 1H PHE 1 1H PHE 1 -21.362 -42.286 11.081 2 2H PHE 1 2H PHE 1 -20.610 -43.087 12.378 3 3H PHE 1 3H PHE 1 -20.008 -43.269 10.798 4 HA PHE 1 HA PHE 1 -20.055 -40.677 12.259 5 1HB PHE 1 1HB PHE 1 -18.640 -42.888 12.959 6 2HB PHE 1 2HB PHE 1 -17.554 -42.201 11.754 7 HD1 PHE 1 HD1 PHE 1 -16.277 -40.241 12.208 8 HD2 PHE 1 HD2 PHE 1 -19.391 -41.460 14.903 9 HE1 PHE 1 HE1 PHE 1 -15.506 -38.558 13.858 10 HE2 PHE 1 HE2 PHE 1 -18.620 -39.777 16.555 11 HZ PHE 1 HZ PHE 1 -16.678 -38.326 16.033 12 H ALA 2 H ALA 2 -18.782 -39.033 11.077 13 HA ALA 2 HA ALA 2 -18.439 -39.696 8.169 14 1HB ALA 2 1HB ALA 2 -20.272 -38.117 8.789 15 2HB ALA 2 2HB ALA 2 -19.035 -37.342 7.798 16 3HB ALA 2 3HB ALA 2 -19.074 -37.060 9.539 17 H LYS 3 H LYS 3 -16.701 -38.223 7.097 18 HA LYS 3 HA LYS 3 -14.552 -37.406 9.003 19 1HB LYS 3 1HB LYS 3 -14.518 -39.859 7.957 20 2HB LYS 3 2HB LYS 3 -13.848 -39.002 6.569 21 1HG LYS 3 1HG LYS 3 -11.930 -38.375 7.703 22 2HG LYS 3 2HG LYS 3 -12.728 -38.395 9.276 23 1HD LYS 3 1HD LYS 3 -11.397 -40.316 9.386 24 2HD LYS 3 2HD LYS 3 -12.942 -40.970 8.840 25 1HE LYS 3 1HE LYS 3 -12.165 -41.387 6.698 26 2HE LYS 3 2HE LYS 3 -11.002 -40.047 6.750 27 1HZ LYS 3 1HZ LYS 3 -9.819 -42.115 6.981 28 2HZ LYS 3 2HZ LYS 3 -10.829 -42.602 8.260 29 3HZ LYS 3 3HZ LYS 3 -9.769 -41.290 8.462 30 H LEU 4 H LEU 4 -14.792 -35.169 8.372 31 HA LEU 4 HA LEU 4 -14.171 -34.605 5.487 32 1HB LEU 4 1HB LEU 4 -15.989 -33.217 7.480 33 2HB LEU 4 2HB LEU 4 -15.575 -32.536 5.906 34 HG LEU 4 HG LEU 4 -16.345 -34.964 5.084 35 1HD1 LEU 4 1HD1 LEU 4 -18.541 -35.278 6.579 36 2HD1 LEU 4 2HD1 LEU 4 -17.491 -34.590 7.817 37 3HD1 LEU 4 3HD1 LEU 4 -17.024 -36.075 6.990 38 1HD2 LEU 4 1HD2 LEU 4 -17.269 -32.684 4.474 39 2HD2 LEU 4 2HD2 LEU 4 -18.363 -32.834 5.849 40 3HD2 LEU 4 3HD2 LEU 4 -18.472 -33.974 4.508 41 H VAL 5 H VAL 5 -12.665 -32.845 5.122 42 HA VAL 5 HA VAL 5 -11.556 -31.468 7.515 43 HB VAL 5 HB VAL 5 -9.263 -32.189 6.864 44 1HG1 VAL 5 1HG1 VAL 5 -10.783 -33.478 8.482 45 2HG1 VAL 5 2HG1 VAL 5 -9.411 -34.361 7.814 46 3HG1 VAL 5 3HG1 VAL 5 -11.028 -34.622 7.162 47 1HG2 VAL 5 1HG2 VAL 5 -10.779 -33.860 4.833 48 2HG2 VAL 5 2HG2 VAL 5 -9.084 -34.109 5.249 49 3HG2 VAL 5 3HG2 VAL 5 -9.593 -32.601 4.490 50 H ARG 6 H ARG 6 -11.165 -29.313 6.984 51 HA ARG 6 HA ARG 6 -10.386 -28.633 4.189 52 1HB ARG 6 1HB ARG 6 -12.941 -28.010 5.611 53 2HB ARG 6 2HB ARG 6 -12.259 -26.752 4.580 54 1HG ARG 6 1HG ARG 6 -12.050 -28.551 2.771 55 2HG ARG 6 2HG ARG 6 -13.084 -29.551 3.793 56 1HD ARG 6 1HD ARG 6 -14.565 -28.423 2.272 57 2HD ARG 6 2HD ARG 6 -14.715 -27.550 3.811 58 HE ARG 6 HE ARG 6 -12.853 -26.639 1.646 59 1HH1 ARG 6 1HH1 ARG 6 -15.862 -25.778 2.285 60 2HH1 ARG 6 2HH1 ARG 6 -15.546 -24.211 2.950 61 1HH2 ARG 6 1HH2 ARG 6 -12.139 -24.754 3.297 62 2HH2 ARG 6 2HH2 ARG 6 -13.438 -23.630 3.524 63 HA PRO 7 HA PRO 7 -8.095 -26.142 7.278 64 1HB PRO 7 1HB PRO 7 -5.795 -25.930 5.812 65 2HB PRO 7 2HB PRO 7 -6.157 -27.327 6.846 66 1HG PRO 7 1HG PRO 7 -6.402 -27.041 3.896 67 2HG PRO 7 2HG PRO 7 -5.877 -28.432 4.857 68 1HD PRO 7 1HD PRO 7 -8.365 -28.202 3.754 69 2HD PRO 7 2HD PRO 7 -8.014 -29.160 5.209 70 HA PRO 8 HA PRO 8 -9.089 -22.406 5.051 71 1HB PRO 8 1HB PRO 8 -8.119 -20.576 6.840 72 2HB PRO 8 2HB PRO 8 -9.637 -21.459 7.092 73 1HG PRO 8 1HG PRO 8 -6.955 -21.927 8.279 74 2HG PRO 8 2HG PRO 8 -8.559 -22.096 9.007 75 1HD PRO 8 1HD PRO 8 -7.045 -24.198 8.109 76 2HD PRO 8 2HD PRO 8 -8.815 -24.230 8.248 77 H VAL 9 H VAL 9 -7.625 -20.100 4.793 78 HA VAL 9 HA VAL 9 -4.864 -20.995 4.025 79 HB VAL 9 HB VAL 9 -5.157 -19.590 1.992 80 1HG1 VAL 9 1HG1 VAL 9 -7.419 -21.579 2.332 81 2HG1 VAL 9 2HG1 VAL 9 -5.743 -22.033 2.030 82 3HG1 VAL 9 3HG1 VAL 9 -6.637 -21.111 0.823 83 1HG2 VAL 9 1HG2 VAL 9 -7.012 -18.300 1.596 84 2HG2 VAL 9 2HG2 VAL 9 -7.135 -18.319 3.355 85 3HG2 VAL 9 3HG2 VAL 9 -8.100 -19.436 2.392 86 H GLN 10 H GLN 10 -3.335 -19.044 3.775 87 HA GLN 10 HA GLN 10 -4.061 -16.938 5.788 88 1HB GLN 10 1HB GLN 10 -2.051 -18.780 5.844 89 2HB GLN 10 2HB GLN 10 -1.232 -17.437 5.043 90 1HG GLN 10 1HG GLN 10 -1.433 -16.035 6.879 91 2HG GLN 10 2HG GLN 10 -2.874 -16.858 7.479 92 1HE2 GLN 10 1HE2 GLN 10 -2.399 -17.963 9.415 93 2HE2 GLN 10 2HE2 GLN 10 -0.936 -18.765 9.728 94 H ILE 11 H ILE 11 -1.828 -17.342 2.956 95 HA ILE 11 HA ILE 11 -2.688 -14.608 2.075 96 HB ILE 11 HB ILE 11 -0.489 -14.702 3.195 97 1HG1 ILE 11 1HG1 ILE 11 0.758 -13.940 0.883 98 2HG1 ILE 11 2HG1 ILE 11 -0.936 -13.847 0.400 99 1HG2 ILE 11 1HG2 ILE 11 -0.187 -17.049 1.571 100 2HG2 ILE 11 2HG2 ILE 11 0.892 -16.436 2.823 101 3HG2 ILE 11 3HG2 ILE 11 1.093 -15.910 1.152 102 1HD1 ILE 11 1HD1 ILE 11 0.539 -12.257 2.449 103 2HD1 ILE 11 2HD1 ILE 11 -1.149 -12.645 2.784 104 3HD1 ILE 11 3HD1 ILE 11 -0.722 -11.749 1.326 105 H TYR 12 H TYR 12 -2.938 -14.349 -0.212 106 HA TYR 12 HA TYR 12 -2.372 -16.660 -1.996 107 1HB TYR 12 1HB TYR 12 -5.012 -16.252 -2.593 108 2HB TYR 12 2HB TYR 12 -4.471 -17.466 -1.440 109 HD1 TYR 12 HD1 TYR 12 -6.211 -14.258 -1.852 110 HD2 TYR 12 HD2 TYR 12 -4.510 -16.982 1.000 111 HE1 TYR 12 HE1 TYR 12 -7.374 -13.073 -0.009 112 HE2 TYR 12 HE2 TYR 12 -5.634 -15.790 2.833 113 HH TYR 12 HH TYR 12 -8.036 -14.186 2.769 114 H GLY 13 H GLY 13 -1.011 -14.988 -3.118 115 1HA GLY 13 1HA GLY 13 -1.583 -13.911 -5.399 116 2HA GLY 13 2HA GLY 13 -2.618 -12.854 -4.439 117 H ILE 14 H ILE 14 0.399 -13.031 -5.839 118 HA ILE 14 HA ILE 14 2.334 -12.067 -4.081 119 HB ILE 14 HB ILE 14 2.706 -12.435 -6.491 120 1HG1 ILE 14 1HG1 ILE 14 4.156 -10.519 -6.956 121 2HG1 ILE 14 2HG1 ILE 14 3.298 -9.542 -5.768 122 1HG2 ILE 14 1HG2 ILE 14 1.107 -9.879 -6.838 123 2HG2 ILE 14 2HG2 ILE 14 0.584 -11.494 -7.315 124 3HG2 ILE 14 3HG2 ILE 14 1.951 -10.737 -8.126 125 1HD1 ILE 14 1HD1 ILE 14 5.579 -11.046 -5.277 126 2HD1 ILE 14 2HD1 ILE 14 4.283 -12.063 -4.646 127 3HD1 ILE 14 3HD1 ILE 14 4.481 -10.414 -4.050 128 H GLU 15 H GLU 15 -0.435 -10.172 -5.345 129 HA GLU 15 HA GLU 15 0.350 -7.562 -4.539 130 1HB GLU 15 1HB GLU 15 -2.193 -9.019 -5.007 131 2HB GLU 15 2HB GLU 15 -2.338 -7.610 -3.962 132 1HG GLU 15 1HG GLU 15 -2.494 -6.465 -5.927 133 2HG GLU 15 2HG GLU 15 -0.735 -6.606 -5.928 134 H GLY 16 H GLY 16 -0.881 -10.269 -2.537 135 1HA GLY 16 1HA GLY 16 -1.255 -8.714 -0.138 136 2HA GLY 16 2HA GLY 16 -1.044 -10.466 -0.203 137 H ARG 17 H ARG 17 1.541 -10.518 -1.499 138 HA ARG 17 HA ARG 17 3.318 -10.301 0.725 139 1HB ARG 17 1HB ARG 17 3.579 -10.566 -2.242 140 2HB ARG 17 2HB ARG 17 5.029 -10.113 -1.346 141 1HG ARG 17 1HG ARG 17 4.350 -12.086 0.239 142 2HG ARG 17 2HG ARG 17 3.392 -12.627 -1.140 143 1HD ARG 17 1HD ARG 17 5.431 -12.564 -2.566 144 2HD ARG 17 2HD ARG 17 6.385 -12.096 -1.146 145 HE ARG 17 HE ARG 17 5.031 -14.721 -1.517 146 1HH1 ARG 17 1HH1 ARG 17 8.010 -14.340 -1.061 147 2HH1 ARG 17 2HH1 ARG 17 8.156 -14.767 0.611 148 1HH2 ARG 17 1HH2 ARG 17 4.757 -14.505 1.248 149 2HH2 ARG 17 2HH2 ARG 17 6.315 -14.860 1.919 150 H TYR 18 H TYR 18 2.440 -7.846 -1.726 151 HA TYR 18 HA TYR 18 4.490 -5.931 -1.278 152 1HB TYR 18 1HB TYR 18 1.638 -5.899 -2.125 153 2HB TYR 18 2HB TYR 18 2.261 -4.360 -1.542 154 HD1 TYR 18 HD1 TYR 18 3.765 -7.169 -3.536 155 HD2 TYR 18 HD2 TYR 18 2.824 -2.984 -3.317 156 HE1 TYR 18 HE1 TYR 18 4.880 -6.804 -5.720 157 HE2 TYR 18 HE2 TYR 18 3.940 -2.617 -5.498 158 HH TYR 18 HH TYR 18 4.424 -4.378 -7.633 159 H ALA 19 H ALA 19 1.563 -6.599 0.682 160 HA ALA 19 HA ALA 19 2.085 -4.406 2.558 161 1HB ALA 19 1HB ALA 19 -0.150 -5.016 2.631 162 2HB ALA 19 2HB ALA 19 0.447 -6.039 3.937 163 3HB ALA 19 3HB ALA 19 0.198 -6.720 2.330 164 H THR 20 H THR 20 2.795 -7.934 2.496 165 HA THR 20 HA THR 20 3.931 -7.879 5.179 166 HB THR 20 HB THR 20 4.950 -10.121 3.825 167 HG1 THR 20 HG1 THR 20 3.092 -10.860 2.727 168 1HG2 THR 20 1HG2 THR 20 3.124 -11.283 5.089 169 2HG2 THR 20 2HG2 THR 20 2.425 -9.703 5.447 170 3HG2 THR 20 3HG2 THR 20 4.017 -10.126 6.078 171 H ALA 21 H ALA 21 5.278 -7.436 1.906 172 HA ALA 21 HA ALA 21 8.040 -7.545 2.904 173 1HB ALA 21 1HB ALA 21 6.847 -7.719 0.431 174 2HB ALA 21 2HB ALA 21 8.569 -7.430 0.673 175 3HB ALA 21 3HB ALA 21 7.477 -6.073 0.395 176 H LEU 22 H LEU 22 5.522 -5.124 2.960 177 HA LEU 22 HA LEU 22 7.550 -2.945 3.326 178 1HB LEU 22 1HB LEU 22 5.590 -2.624 1.780 179 2HB LEU 22 2HB LEU 22 4.514 -2.856 3.158 180 HG LEU 22 HG LEU 22 6.339 -0.927 4.049 181 1HD1 LEU 22 1HD1 LEU 22 5.704 -0.596 1.122 182 2HD1 LEU 22 2HD1 LEU 22 7.245 -0.374 1.952 183 3HD1 LEU 22 3HD1 LEU 22 5.956 0.813 2.153 184 1HD2 LEU 22 1HD2 LEU 22 3.493 -1.047 3.213 185 2HD2 LEU 22 2HD2 LEU 22 4.195 0.569 3.298 186 3HD2 LEU 22 3HD2 LEU 22 4.200 -0.472 4.722 187 H TYR 23 H TYR 23 4.724 -4.475 4.951 188 HA TYR 23 HA TYR 23 5.289 -3.042 7.421 189 1HB TYR 23 1HB TYR 23 3.171 -3.681 7.865 190 2HB TYR 23 2HB TYR 23 3.123 -4.467 6.300 191 HD1 TYR 23 HD1 TYR 23 4.200 -5.058 9.825 192 HD2 TYR 23 HD2 TYR 23 2.733 -6.756 6.178 193 HE1 TYR 23 HE1 TYR 23 3.979 -7.246 10.951 194 HE2 TYR 23 HE2 TYR 23 2.549 -8.951 7.265 195 HH TYR 23 HH TYR 23 3.938 -9.980 9.630 196 H SER 24 H SER 24 6.694 -5.886 5.909 197 HA SER 24 HA SER 24 7.371 -7.515 8.137 198 1HB SER 24 1HB SER 24 8.147 -8.384 6.127 199 2HB SER 24 2HB SER 24 8.639 -6.807 5.518 200 HG SER 24 HG SER 24 9.945 -8.505 7.365 201 H ALA 25 H ALA 25 8.886 -4.466 7.008 202 HA ALA 25 HA ALA 25 10.855 -4.416 9.195 203 1HB ALA 25 1HB ALA 25 11.352 -3.216 7.137 204 2HB ALA 25 2HB ALA 25 11.089 -2.002 8.390 205 3HB ALA 25 3HB ALA 25 9.818 -2.349 7.218 206 H ALA 26 H ALA 26 7.643 -2.963 8.481 207 HA ALA 26 HA ALA 26 7.359 -1.325 10.806 208 1HB ALA 26 1HB ALA 26 5.236 -3.002 9.410 209 2HB ALA 26 2HB ALA 26 5.795 -1.426 8.852 210 3HB ALA 26 3HB ALA 26 4.942 -1.565 10.389 211 H SER 27 H SER 27 6.799 -4.860 10.412 212 HA SER 27 HA SER 27 5.557 -5.419 12.927 213 1HB SER 27 1HB SER 27 6.211 -7.668 12.513 214 2HB SER 27 2HB SER 27 6.127 -6.958 10.903 215 HG SER 27 HG SER 27 8.074 -8.011 11.067 216 H LYS 28 H LYS 28 9.050 -5.127 12.108 217 HA LYS 28 HA LYS 28 9.999 -5.693 14.802 218 1HB LYS 28 1HB LYS 28 11.275 -5.680 12.533 219 2HB LYS 28 2HB LYS 28 11.405 -3.937 12.773 220 1HG LYS 28 1HG LYS 28 12.848 -4.149 14.554 221 2HG LYS 28 2HG LYS 28 12.144 -5.680 15.077 222 1HD LYS 28 1HD LYS 28 13.170 -6.757 13.042 223 2HD LYS 28 2HD LYS 28 14.010 -5.238 12.732 224 1HE LYS 28 1HE LYS 28 15.495 -5.565 14.449 225 2HE LYS 28 2HE LYS 28 14.266 -6.304 15.496 226 1HZ LYS 28 1HZ LYS 28 15.951 -7.900 14.615 227 2HZ LYS 28 2HZ LYS 28 15.345 -7.605 13.055 228 3HZ LYS 28 3HZ LYS 28 14.346 -8.302 14.239 229 H GLN 29 H GLN 29 9.171 -2.670 13.042 230 HA GLN 29 HA GLN 29 9.865 -0.968 15.339 231 1HB GLN 29 1HB GLN 29 8.312 -0.417 12.788 232 2HB GLN 29 2HB GLN 29 8.895 0.816 13.906 233 1HG GLN 29 1HG GLN 29 11.207 -0.476 13.518 234 2HG GLN 29 2HG GLN 29 10.427 -0.880 11.989 235 1HE2 GLN 29 1HE2 GLN 29 10.282 0.792 10.384 236 2HE2 GLN 29 2HE2 GLN 29 10.805 2.383 10.660 237 H ASN 30 H ASN 30 7.141 -2.989 14.711 238 HA ASN 30 HA ASN 30 5.119 -3.221 15.862 239 1HB ASN 30 1HB ASN 30 6.828 -2.134 17.681 240 2HB ASN 30 2HB ASN 30 5.610 -0.860 17.601 241 1HD2 ASN 30 1HD2 ASN 30 6.105 -2.820 19.864 242 2HD2 ASN 30 2HD2 ASN 30 4.628 -3.632 20.068 243 H LYS 31 H LYS 31 5.247 -1.674 13.450 244 HA LYS 31 HA LYS 31 3.350 0.574 14.022 245 1HB LYS 31 1HB LYS 31 5.161 -0.085 11.683 246 2HB LYS 31 2HB LYS 31 4.060 1.291 11.713 247 1HG LYS 31 1HG LYS 31 6.100 0.838 13.895 248 2HG LYS 31 2HG LYS 31 6.491 1.737 12.428 249 1HD LYS 31 1HD LYS 31 5.058 3.485 12.949 250 2HD LYS 31 2HD LYS 31 4.008 2.467 13.935 251 1HE LYS 31 1HE LYS 31 5.249 2.816 15.823 252 2HE LYS 31 2HE LYS 31 6.786 2.722 14.940 253 1HZ LYS 31 1HZ LYS 31 4.872 4.993 14.806 254 2HZ LYS 31 2HZ LYS 31 6.368 4.895 14.005 255 3HZ LYS 31 3HZ LYS 31 6.313 4.991 15.701 256 H LEU 32 H LEU 32 2.854 -2.581 13.520 257 HA LEU 32 HA LEU 32 1.469 -3.060 11.119 258 1HB LEU 32 1HB LEU 32 1.202 -3.957 13.978 259 2HB LEU 32 2HB LEU 32 -0.043 -4.449 12.837 260 HG LEU 32 HG LEU 32 1.973 -6.040 13.168 261 1HD1 LEU 32 1HD1 LEU 32 1.573 -6.900 11.070 262 2HD1 LEU 32 2HD1 LEU 32 1.661 -5.321 10.285 263 3HD1 LEU 32 3HD1 LEU 32 0.225 -5.778 11.199 264 1HD2 LEU 32 1HD2 LEU 32 3.771 -4.374 13.030 265 2HD2 LEU 32 2HD2 LEU 32 3.281 -3.951 11.391 266 3HD2 LEU 32 3HD2 LEU 32 3.933 -5.542 11.738 267 H GLU 33 H GLU 33 0.328 -1.231 13.986 268 HA GLU 33 HA GLU 33 -2.393 -0.884 12.931 269 1HB GLU 33 1HB GLU 33 -1.320 -0.633 15.382 270 2HB GLU 33 2HB GLU 33 -1.164 1.048 14.869 271 1HG GLU 33 1HG GLU 33 -3.459 1.359 14.715 272 2HG GLU 33 2HG GLU 33 -3.776 -0.351 14.423 273 H GLN 34 H GLN 34 0.615 1.086 12.979 274 HA GLN 34 HA GLN 34 -0.460 3.409 11.655 275 1HB GLN 34 1HB GLN 34 2.301 2.201 11.853 276 2HB GLN 34 2HB GLN 34 2.006 3.727 11.021 277 1HG GLN 34 1HG GLN 34 0.645 3.995 13.460 278 2HG GLN 34 2HG GLN 34 2.151 3.185 13.886 279 1HE2 GLN 34 1HE2 GLN 34 0.799 6.190 12.511 280 2HE2 GLN 34 2HE2 GLN 34 2.251 7.067 12.594 281 H VAL 35 H VAL 35 0.607 0.271 10.352 282 HA VAL 35 HA VAL 35 0.328 1.387 7.594 283 HB VAL 35 HB VAL 35 1.242 -1.418 8.169 284 1HG1 VAL 35 1HG1 VAL 35 1.001 -0.474 5.862 285 2HG1 VAL 35 2HG1 VAL 35 2.634 -1.028 6.231 286 3HG1 VAL 35 3HG1 VAL 35 2.261 0.695 6.259 287 1HG2 VAL 35 1HG2 VAL 35 2.759 -0.575 9.699 288 2HG2 VAL 35 2HG2 VAL 35 2.687 1.055 9.028 289 3HG2 VAL 35 3HG2 VAL 35 3.642 -0.191 8.224 290 H GLU 36 H GLU 36 -1.015 -1.200 9.708 291 HA GLU 36 HA GLU 36 -2.676 -2.373 7.634 292 1HB GLU 36 1HB GLU 36 -1.949 -3.353 9.900 293 2HB GLU 36 2HB GLU 36 -3.260 -2.406 10.601 294 1HG GLU 36 1HG GLU 36 -3.906 -4.067 8.210 295 2HG GLU 36 2HG GLU 36 -3.634 -4.916 9.732 296 H LYS 37 H LYS 37 -3.159 0.501 9.665 297 HA LYS 37 HA LYS 37 -6.071 0.482 9.042 298 1HB LYS 37 1HB LYS 37 -5.061 1.025 11.328 299 2HB LYS 37 2HB LYS 37 -4.484 2.531 10.613 300 1HG LYS 37 1HG LYS 37 -6.737 3.232 10.097 301 2HG LYS 37 2HG LYS 37 -7.386 1.661 10.569 302 1HD LYS 37 1HD LYS 37 -7.134 2.077 12.830 303 2HD LYS 37 2HD LYS 37 -5.774 3.173 12.582 304 1HE LYS 37 1HE LYS 37 -7.396 4.755 13.058 305 2HE LYS 37 2HE LYS 37 -7.721 4.582 11.322 306 1HZ LYS 37 1HZ LYS 37 -9.375 2.961 11.747 307 2HZ LYS 37 2HZ LYS 37 -9.702 4.252 12.801 308 3HZ LYS 37 3HZ LYS 37 -8.955 2.844 13.386 309 H GLU 38 H GLU 38 -3.126 2.375 8.219 310 HA GLU 38 HA GLU 38 -4.696 4.387 6.760 311 1HB GLU 38 1HB GLU 38 -1.808 3.705 7.159 312 2HB GLU 38 2HB GLU 38 -2.242 4.733 5.796 313 1HG GLU 38 1HG GLU 38 -1.788 6.166 7.700 314 2HG GLU 38 2HG GLU 38 -3.520 6.201 7.377 315 H LEU 39 H LEU 39 -2.973 1.360 5.899 316 HA LEU 39 HA LEU 39 -3.121 1.574 3.049 317 1HB LEU 39 1HB LEU 39 -2.800 -0.563 5.057 318 2HB LEU 39 2HB LEU 39 -3.614 -1.116 3.598 319 HG LEU 39 HG LEU 39 -1.785 -0.125 2.235 320 1HD1 LEU 39 1HD1 LEU 39 0.346 0.192 3.894 321 2HD1 LEU 39 2HD1 LEU 39 -0.950 0.790 4.930 322 3HD1 LEU 39 3HD1 LEU 39 -0.672 1.527 3.353 323 1HD2 LEU 39 1HD2 LEU 39 -1.292 -2.352 2.449 324 2HD2 LEU 39 2HD2 LEU 39 -1.438 -2.321 4.205 325 3HD2 LEU 39 3HD2 LEU 39 0.039 -1.746 3.433 326 H LEU 40 H LEU 40 -5.614 0.546 5.433 327 HA LEU 40 HA LEU 40 -7.590 -0.400 3.595 328 1HB LEU 40 1HB LEU 40 -7.665 -0.519 6.110 329 2HB LEU 40 2HB LEU 40 -8.047 1.203 6.138 330 HG LEU 40 HG LEU 40 -9.932 0.421 4.408 331 1HD1 LEU 40 1HD1 LEU 40 -10.726 -1.770 4.758 332 2HD1 LEU 40 2HD1 LEU 40 -9.806 -1.963 6.250 333 3HD1 LEU 40 3HD1 LEU 40 -8.976 -1.981 4.694 334 1HD2 LEU 40 1HD2 LEU 40 -10.768 1.521 6.258 335 2HD2 LEU 40 2HD2 LEU 40 -9.832 0.545 7.390 336 3HD2 LEU 40 3HD2 LEU 40 -11.295 -0.114 6.658 337 H ARG 41 H ARG 41 -6.758 2.959 4.542 338 HA ARG 41 HA ARG 41 -9.001 4.298 3.374 339 1HB ARG 41 1HB ARG 41 -7.192 5.300 4.826 340 2HB ARG 41 2HB ARG 41 -6.115 5.251 3.429 341 1HG ARG 41 1HG ARG 41 -6.933 7.368 3.109 342 2HG ARG 41 2HG ARG 41 -8.233 6.487 2.304 343 1HD ARG 41 1HD ARG 41 -9.139 6.376 4.856 344 2HD ARG 41 2HD ARG 41 -8.262 7.918 4.910 345 HE ARG 41 HE ARG 41 -10.321 7.300 2.820 346 1HH1 ARG 41 1HH2 ARG 41 -9.947 9.065 5.596 347 2HH1 ARG 41 2HH2 ARG 41 -10.282 10.613 4.894 348 1HH2 ARG 41 1HH1 ARG 41 -10.199 9.447 1.630 349 2HH2 ARG 41 2HH1 ARG 41 -10.425 10.829 2.649 350 H VAL 42 H VAL 42 -5.917 3.215 1.866 351 HA VAL 42 HA VAL 42 -6.362 4.401 -0.716 352 HB VAL 42 HB VAL 42 -4.917 1.835 0.052 353 1HG1 VAL 42 1HG1 VAL 42 -3.567 2.743 -2.083 354 2HG1 VAL 42 2HG1 VAL 42 -5.161 3.377 -2.493 355 3HG1 VAL 42 3HG1 VAL 42 -4.937 1.645 -2.248 356 1HG2 VAL 42 1HG2 VAL 42 -2.941 3.558 -0.276 357 2HG2 VAL 42 2HG2 VAL 42 -3.818 3.505 1.253 358 3HG2 VAL 42 3HG2 VAL 42 -4.196 4.750 0.061 359 H GLY 43 H GLY 43 -7.455 1.259 0.651 360 1HA GLY 43 1HA GLY 43 -8.560 0.214 -1.772 361 2HA GLY 43 2HA GLY 43 -9.059 -0.254 -0.144 362 H GLN 44 H GLN 44 -10.088 2.108 0.895 363 HA GLN 44 HA GLN 44 -12.716 2.254 -0.250 364 1HB GLN 44 1HB GLN 44 -11.677 3.043 2.070 365 2HB GLN 44 2HB GLN 44 -11.535 4.589 1.232 366 1HG GLN 44 1HG GLN 44 -13.842 4.820 0.981 367 2HG GLN 44 2HG GLN 44 -14.131 3.084 1.111 368 1HE2 GLN 44 1HE2 GLN 44 -14.205 6.025 2.900 369 2HE2 GLN 44 2HE2 GLN 44 -14.309 5.337 4.448 370 H ILE 45 H ILE 45 -9.825 4.321 -0.773 371 HA ILE 45 HA ILE 45 -11.066 6.351 -2.378 372 HB ILE 45 HB ILE 45 -8.267 5.139 -2.416 373 1HG1 ILE 45 1HG1 ILE 45 -9.002 7.829 -1.306 374 2HG1 ILE 45 2HG1 ILE 45 -9.350 6.386 -0.356 375 1HG2 ILE 45 1HG2 ILE 45 -7.498 7.001 -3.682 376 2HG2 ILE 45 2HG2 ILE 45 -9.022 7.863 -3.486 377 3HG2 ILE 45 3HG2 ILE 45 -8.939 6.445 -4.530 378 1HD1 ILE 45 1HD1 ILE 45 -7.160 6.031 0.118 379 2HD1 ILE 45 2HD1 ILE 45 -6.936 7.709 -0.375 380 3HD1 ILE 45 3HD1 ILE 45 -6.649 6.406 -1.528 381 H LEU 46 H LEU 46 -9.754 3.136 -3.312 382 HA LEU 46 HA LEU 46 -10.479 3.584 -6.139 383 1HB LEU 46 1HB LEU 46 -8.531 2.192 -5.463 384 2HB LEU 46 2HB LEU 46 -9.630 1.061 -4.671 385 HG LEU 46 HG LEU 46 -10.763 0.661 -6.839 386 1HD1 LEU 46 1HD1 LEU 46 -8.628 2.553 -7.866 387 2HD1 LEU 46 2HD1 LEU 46 -10.375 2.774 -7.951 388 3HD1 LEU 46 3HD1 LEU 46 -9.596 1.514 -8.911 389 1HD2 LEU 46 1HD2 LEU 46 -8.930 -0.820 -6.186 390 2HD2 LEU 46 2HD2 LEU 46 -7.751 0.298 -6.871 391 3HD2 LEU 46 3HD2 LEU 46 -8.876 -0.552 -7.928 392 H LYS 47 H LYS 47 -11.928 2.011 -3.280 393 HA LYS 47 HA LYS 47 -14.029 0.658 -4.792 394 1HB LYS 47 1HB LYS 47 -13.271 -0.030 -2.513 395 2HB LYS 47 2HB LYS 47 -13.895 1.489 -1.867 396 1HG LYS 47 1HG LYS 47 -16.157 0.905 -2.504 397 2HG LYS 47 2HG LYS 47 -15.591 -0.533 -3.356 398 1HD LYS 47 1HD LYS 47 -15.082 -1.670 -1.377 399 2HD LYS 47 2HD LYS 47 -14.955 -0.181 -0.439 400 1HE LYS 47 1HE LYS 47 -17.370 0.143 -0.524 401 2HE LYS 47 2HE LYS 47 -17.551 -1.257 -1.601 402 1HZ LYS 47 1HZ LYS 47 -17.928 -1.972 0.645 403 2HZ LYS 47 2HZ LYS 47 -16.472 -1.271 1.169 404 3HZ LYS 47 3HZ LYS 47 -16.446 -2.611 0.125 405 H GLU 48 H GLU 48 -13.582 3.915 -3.388 406 HA GLU 48 HA GLU 48 -16.252 4.803 -3.250 407 1HB GLU 48 1HB GLU 48 -13.593 6.039 -3.813 408 2HB GLU 48 2HB GLU 48 -15.018 7.028 -4.136 409 1HG GLU 48 1HG GLU 48 -15.793 6.261 -1.765 410 2HG GLU 48 2HG GLU 48 -14.093 5.858 -1.523 411 HA PRO 49 HA PRO 49 -17.490 4.455 -7.521 412 1HB PRO 49 1HB PRO 49 -19.798 5.924 -7.419 413 2HB PRO 49 2HB PRO 49 -19.673 4.270 -6.787 414 1HG PRO 49 1HG PRO 49 -19.588 6.863 -5.330 415 2HG PRO 49 2HG PRO 49 -20.363 5.338 -4.875 416 1HD PRO 49 1HD PRO 49 -17.992 6.173 -3.839 417 2HD PRO 49 2HD PRO 49 -18.431 4.459 -4.015 418 H LYS 50 H LYS 50 -17.374 7.671 -5.928 419 HA LYS 50 HA LYS 50 -17.300 9.115 -8.497 420 1HB LYS 50 1HB LYS 50 -16.914 9.825 -5.582 421 2HB LYS 50 2HB LYS 50 -16.580 11.006 -6.849 422 1HG LYS 50 1HG LYS 50 -19.203 9.508 -6.652 423 2HG LYS 50 2HG LYS 50 -18.938 11.081 -5.897 424 1HD LYS 50 1HD LYS 50 -18.061 11.705 -8.333 425 2HD LYS 50 2HD LYS 50 -19.127 10.378 -8.797 426 1HE LYS 50 1HE LYS 50 -20.749 11.726 -7.062 427 2HE LYS 50 2HE LYS 50 -19.820 13.065 -7.765 428 1HZ LYS 50 1HZ LYS 50 -20.321 12.298 -9.953 429 2HZ LYS 50 2HZ LYS 50 -21.789 12.407 -9.106 430 3HZ LYS 50 3HZ LYS 50 -21.063 10.893 -9.363 431 H MET 51 H MET 51 -14.937 7.903 -6.108 432 HA MET 51 HA MET 51 -12.662 9.134 -7.536 433 1HB MET 51 1HB MET 51 -12.754 8.917 -5.067 434 2HB MET 51 2HB MET 51 -12.796 7.162 -5.238 435 1HG MET 51 1HG MET 51 -10.523 7.818 -4.795 436 2HG MET 51 2HG MET 51 -10.622 7.295 -6.473 437 1HE MET 51 1HE MET 51 -8.124 9.886 -7.261 438 2HE MET 51 2HE MET 51 -8.577 8.195 -7.061 439 3HE MET 51 3HE MET 51 -8.063 9.133 -5.662 440 H ALA 52 H ALA 52 -14.270 5.946 -7.387 441 HA ALA 52 HA ALA 52 -12.194 4.312 -8.463 442 1HB ALA 52 1HB ALA 52 -14.068 3.103 -7.801 443 2HB ALA 52 2HB ALA 52 -14.363 3.160 -9.539 444 3HB ALA 52 3HB ALA 52 -15.193 4.289 -8.465 445 H ALA 53 H ALA 53 -14.523 6.453 -10.158 446 HA ALA 53 HA ALA 53 -13.928 5.661 -12.842 447 1HB ALA 53 1HB ALA 53 -15.774 7.106 -12.533 448 2HB ALA 53 2HB ALA 53 -14.574 8.152 -13.290 449 3HB ALA 53 3HB ALA 53 -14.840 8.233 -11.550 450 H SER 54 H SER 54 -12.183 7.930 -10.676 451 HA SER 54 HA SER 54 -10.365 8.859 -12.776 452 1HB SER 54 1HB SER 54 -11.059 9.822 -10.372 453 2HB SER 54 2HB SER 54 -9.620 8.936 -9.875 454 HG SER 54 HG SER 54 -9.869 11.020 -11.776 455 H LEU 55 H LEU 55 -9.971 6.550 -10.021 456 HA LEU 55 HA LEU 55 -7.271 5.801 -10.544 457 1HB LEU 55 1HB LEU 55 -9.632 4.601 -9.186 458 2HB LEU 55 2HB LEU 55 -8.338 3.482 -9.609 459 HG LEU 55 HG LEU 55 -7.415 6.025 -8.413 460 1HD1 LEU 55 1HD1 LEU 55 -9.638 5.219 -7.216 461 2HD1 LEU 55 2HD1 LEU 55 -8.251 5.754 -6.269 462 3HD1 LEU 55 3HD1 LEU 55 -8.554 4.032 -6.491 463 1HD2 LEU 55 1HD2 LEU 55 -6.825 3.264 -7.396 464 2HD2 LEU 55 2HD2 LEU 55 -5.750 4.655 -7.536 465 3HD2 LEU 55 3HD2 LEU 55 -6.200 3.740 -8.975 466 H LEU 56 H LEU 56 -10.265 4.697 -12.160 467 HA LEU 56 HA LEU 56 -8.680 2.736 -13.758 468 1HB LEU 56 1HB LEU 56 -10.828 2.078 -12.710 469 2HB LEU 56 2HB LEU 56 -11.656 3.322 -13.646 470 HG LEU 56 HG LEU 56 -9.959 1.433 -15.191 471 1HD1 LEU 56 1HD1 LEU 56 -11.042 -0.087 -13.584 472 2HD1 LEU 56 2HD1 LEU 56 -11.735 -0.291 -15.193 473 3HD1 LEU 56 3HD1 LEU 56 -12.613 0.619 -13.964 474 1HD2 LEU 56 1HD2 LEU 56 -12.633 2.810 -15.495 475 2HD2 LEU 56 2HD2 LEU 56 -12.099 1.567 -16.625 476 3HD2 LEU 56 3HD2 LEU 56 -11.167 3.054 -16.444 477 H ASN 57 H ASN 57 -10.329 5.878 -14.163 478 HA ASN 57 HA ASN 57 -10.716 5.962 -16.949 479 1HB ASN 57 1HB ASN 57 -10.150 7.924 -14.797 480 2HB ASN 57 2HB ASN 57 -9.815 8.488 -16.433 481 1HD2 ASN 57 1HD2 ASN 57 -12.086 9.337 -14.620 482 2HD2 ASN 57 2HD2 ASN 57 -13.499 8.975 -15.487 483 HA PRO 58 HA PRO 58 -6.612 5.784 -18.594 484 1HB PRO 58 1HB PRO 58 -7.094 6.700 -21.118 485 2HB PRO 58 2HB PRO 58 -7.571 5.083 -20.569 486 1HG PRO 58 1HG PRO 58 -9.220 7.499 -20.987 487 2HG PRO 58 2HG PRO 58 -9.649 5.792 -21.152 488 1HD PRO 58 1HD PRO 58 -10.298 7.441 -18.999 489 2HD PRO 58 2HD PRO 58 -10.375 5.668 -19.016 490 H TYR 59 H TYR 59 -8.171 8.743 -17.889 491 HA TYR 59 HA TYR 59 -6.159 10.480 -19.181 492 1HB TYR 59 1HB TYR 59 -8.509 11.012 -17.324 493 2HB TYR 59 2HB TYR 59 -7.562 12.266 -18.133 494 HD1 TYR 59 HD1 TYR 59 -10.021 9.557 -18.583 495 HD2 TYR 59 HD2 TYR 59 -7.692 12.582 -20.560 496 HE1 TYR 59 HE1 TYR 59 -11.388 9.275 -20.626 497 HE2 TYR 59 HE2 TYR 59 -9.070 12.302 -22.603 498 HH TYR 59 HH TYR 59 -10.633 9.992 -23.460 499 H VAL 60 H VAL 60 -6.993 9.275 -15.901 500 HA VAL 60 HA VAL 60 -5.285 10.978 -14.369 501 HB VAL 60 HB VAL 60 -5.971 8.040 -13.972 502 1HG1 VAL 60 1HG1 VAL 60 -4.150 8.528 -12.504 503 2HG1 VAL 60 2HG1 VAL 60 -5.604 8.689 -11.520 504 3HG1 VAL 60 3HG1 VAL 60 -4.788 10.129 -12.128 505 1HG2 VAL 60 1HG2 VAL 60 -8.038 9.068 -13.908 506 2HG2 VAL 60 2HG2 VAL 60 -7.362 10.633 -13.455 507 3HG2 VAL 60 3HG2 VAL 60 -7.536 9.363 -12.243 508 H LYS 61 H LYS 61 -4.413 8.186 -16.428 509 HA LYS 61 HA LYS 61 -2.307 7.351 -17.048 510 1HB LYS 61 1HB LYS 61 -2.251 10.115 -17.073 511 2HB LYS 61 2HB LYS 61 -0.850 9.720 -16.078 512 1HG LYS 61 1HG LYS 61 0.085 9.656 -18.209 513 2HG LYS 61 2HG LYS 61 -0.365 7.965 -17.987 514 1HD LYS 61 1HD LYS 61 -2.064 8.072 -19.518 515 2HD LYS 61 2HD LYS 61 -2.467 9.740 -19.109 516 1HE LYS 61 1HE LYS 61 -0.267 10.408 -20.248 517 2HE LYS 61 2HE LYS 61 -0.230 8.756 -20.897 518 1HZ LYS 61 1HZ LYS 61 -2.508 9.095 -21.707 519 2HZ LYS 61 2HZ LYS 61 -1.415 10.184 -22.418 520 3HZ LYS 61 3HZ LYS 61 -2.454 10.707 -21.180 521 H ARG 62 H ARG 62 0.090 7.061 -16.061 522 HA ARG 62 HA ARG 62 -0.311 6.307 -13.189 523 1HB ARG 62 1HB ARG 62 0.326 4.558 -14.835 524 2HB ARG 62 2HB ARG 62 1.776 5.476 -15.239 525 1HG ARG 62 1HG ARG 62 2.664 5.203 -13.017 526 2HG ARG 62 2HG ARG 62 1.146 4.520 -12.435 527 1HD ARG 62 1HD ARG 62 2.291 2.544 -12.822 528 2HD ARG 62 2HD ARG 62 1.653 2.793 -14.458 529 HE ARG 62 HE ARG 62 4.396 3.603 -13.579 530 1HH1 ARG 62 1HH2 ARG 62 2.807 1.624 -15.699 531 2HH1 ARG 62 2HH2 ARG 62 3.577 2.210 -17.136 532 1HH2 ARG 62 1HH1 ARG 62 5.070 4.910 -15.553 533 2HH2 ARG 62 2HH1 ARG 62 4.858 4.070 -17.053 534 H SER 63 H SER 63 2.219 7.772 -15.331 535 HA SER 63 HA SER 63 3.978 8.619 -13.233 536 1HB SER 63 1HB SER 63 4.181 8.667 -15.865 537 2HB SER 63 2HB SER 63 3.508 10.287 -15.703 538 HG SER 63 HG SER 63 5.783 10.318 -15.613 539 H VAL 64 H VAL 64 1.161 10.292 -14.708 540 HA VAL 64 HA VAL 64 1.436 12.703 -13.093 541 HB VAL 64 HB VAL 64 -1.002 11.475 -14.451 542 1HG1 VAL 64 1HG1 VAL 64 -1.049 13.507 -12.661 543 2HG1 VAL 64 2HG1 VAL 64 -2.134 13.430 -14.048 544 3HG1 VAL 64 3HG1 VAL 64 -0.674 14.415 -14.124 545 1HG2 VAL 64 1HG2 VAL 64 1.326 13.091 -15.412 546 2HG2 VAL 64 2HG2 VAL 64 -0.257 13.435 -16.109 547 3HG2 VAL 64 3HG2 VAL 64 0.430 11.815 -16.237 548 H LYS 65 H LYS 65 -0.450 9.663 -12.734 549 HA LYS 65 HA LYS 65 -1.870 10.396 -10.347 550 1HB LYS 65 1HB LYS 65 -2.276 8.374 -11.792 551 2HB LYS 65 2HB LYS 65 -0.808 7.656 -11.124 552 1HG LYS 65 1HG LYS 65 -1.735 7.397 -9.002 553 2HG LYS 65 2HG LYS 65 -2.919 8.681 -9.254 554 1HD LYS 65 1HD LYS 65 -3.970 7.176 -11.032 555 2HD LYS 65 2HD LYS 65 -2.947 5.884 -10.400 556 1HE LYS 65 1HE LYS 65 -4.928 5.612 -9.155 557 2HE LYS 65 2HE LYS 65 -3.950 6.618 -8.070 558 1HZ LYS 65 1HZ LYS 65 -6.035 7.515 -9.981 559 2HZ LYS 65 2HZ LYS 65 -4.941 8.582 -9.235 560 3HZ LYS 65 3HZ LYS 65 -6.040 7.690 -8.294 561 H VAL 66 H VAL 66 1.451 9.100 -10.805 562 HA VAL 66 HA VAL 66 2.040 8.477 -8.077 563 HB VAL 66 HB VAL 66 3.837 9.612 -10.259 564 1HG1 VAL 66 1HG1 VAL 66 4.992 9.837 -8.164 565 2HG1 VAL 66 2HG1 VAL 66 5.632 8.388 -8.937 566 3HG1 VAL 66 3HG1 VAL 66 4.459 8.245 -7.628 567 1HG2 VAL 66 1HG2 VAL 66 3.949 6.745 -9.541 568 2HG2 VAL 66 2HG2 VAL 66 3.959 7.509 -11.129 569 3HG2 VAL 66 3HG2 VAL 66 2.434 7.251 -10.285 570 H LYS 67 H LYS 67 2.189 11.628 -9.804 571 HA LYS 67 HA LYS 67 3.333 13.093 -7.564 572 1HB LYS 67 1HB LYS 67 3.100 13.729 -10.089 573 2HB LYS 67 2HB LYS 67 1.484 14.282 -9.643 574 1HG LYS 67 1HG LYS 67 2.279 16.040 -8.395 575 2HG LYS 67 2HG LYS 67 3.736 15.173 -7.909 576 1HD LYS 67 1HD LYS 67 4.445 15.369 -10.389 577 2HD LYS 67 2HD LYS 67 3.182 16.596 -10.512 578 1HE LYS 67 1HE LYS 67 4.308 18.088 -9.127 579 2HE LYS 67 2HE LYS 67 5.156 16.795 -8.255 580 1HZ LYS 67 1HZ LYS 67 5.634 17.690 -11.047 581 2HZ LYS 67 2HZ LYS 67 6.306 16.277 -10.382 582 3HZ LYS 67 3HZ LYS 67 6.710 17.798 -9.740 583 H SER 68 H SER 68 -0.046 12.494 -8.638 584 HA SER 68 HA SER 68 -1.342 14.129 -6.658 585 1HB SER 68 1HB SER 68 -2.343 11.496 -7.795 586 2HB SER 68 2HB SER 68 -3.320 12.840 -7.210 587 HG SER 68 HG SER 68 -2.628 14.065 -8.931 588 H LEU 69 H LEU 69 -0.130 10.750 -6.503 589 HA LEU 69 HA LEU 69 -1.293 10.035 -3.979 590 1HB LEU 69 1HB LEU 69 1.035 9.162 -5.638 591 2HB LEU 69 2HB LEU 69 1.039 8.663 -3.947 592 HG LEU 69 HG LEU 69 -1.357 7.863 -4.314 593 1HD1 LEU 69 1HD1 LEU 69 -2.086 7.489 -6.586 594 2HD1 LEU 69 2HD1 LEU 69 -0.540 8.043 -7.227 595 3HD1 LEU 69 3HD1 LEU 69 -1.633 9.188 -6.448 596 1HD2 LEU 69 1HD2 LEU 69 -0.608 5.743 -4.992 597 2HD2 LEU 69 2HD2 LEU 69 0.866 6.492 -4.378 598 3HD2 LEU 69 3HD2 LEU 69 0.575 6.416 -6.116 599 H SER 70 H SER 70 1.884 11.589 -4.707 600 HA SER 70 HA SER 70 2.646 11.844 -1.908 601 1HB SER 70 1HB SER 70 3.500 13.320 -4.424 602 2HB SER 70 2HB SER 70 4.289 13.524 -2.862 603 HG SER 70 HG SER 70 5.387 11.944 -3.971 604 H ASP 71 H ASP 71 1.052 14.079 -4.234 605 HA ASP 71 HA ASP 71 0.829 16.260 -2.309 606 1HB ASP 71 1HB ASP 71 0.723 16.398 -4.856 607 2HB ASP 71 2HB ASP 71 -0.913 15.748 -4.741 608 H MET 72 H MET 72 -1.025 13.304 -2.769 609 HA MET 72 HA MET 72 -3.390 14.395 -1.331 610 1HB MET 72 1HB MET 72 -3.424 12.674 -3.263 611 2HB MET 72 2HB MET 72 -2.797 11.514 -2.090 612 1HG MET 72 1HG MET 72 -4.753 12.069 -0.605 613 2HG MET 72 2HG MET 72 -5.408 13.043 -1.922 614 1HE MET 72 1HE MET 72 -3.890 8.919 -2.396 615 2HE MET 72 2HE MET 72 -4.966 8.849 -1.004 616 3HE MET 72 3HE MET 72 -3.660 10.030 -1.038 617 H THR 73 H THR 73 -0.740 12.016 -0.893 618 HA THR 73 HA THR 73 -1.343 11.216 1.788 619 HB THR 73 HB THR 73 1.098 11.361 0.018 620 HG1 THR 73 HG1 THR 73 -0.253 9.643 -0.261 621 1HG2 THR 73 1HG2 THR 73 1.113 10.884 2.975 622 2HG2 THR 73 2HG2 THR 73 2.277 11.749 1.973 623 3HG2 THR 73 3HG2 THR 73 2.224 9.986 1.942 624 H ALA 74 H ALA 74 0.422 14.097 0.524 625 HA ALA 74 HA ALA 74 1.428 15.083 3.026 626 1HB ALA 74 1HB ALA 74 0.623 16.308 0.396 627 2HB ALA 74 2HB ALA 74 2.225 16.205 1.127 628 3HB ALA 74 3HB ALA 74 1.048 17.367 1.742 629 H LYS 75 H LYS 75 -1.788 15.501 1.476 630 HA LYS 75 HA LYS 75 -2.748 17.155 3.747 631 1HB LYS 75 1HB LYS 75 -3.938 16.111 1.166 632 2HB LYS 75 2HB LYS 75 -4.926 16.940 2.369 633 1HG LYS 75 1HG LYS 75 -2.359 18.189 1.426 634 2HG LYS 75 2HG LYS 75 -3.820 18.339 0.449 635 1HD LYS 75 1HD LYS 75 -4.956 19.087 2.668 636 2HD LYS 75 2HD LYS 75 -3.309 19.359 3.238 637 1HE LYS 75 1HE LYS 75 -2.887 20.855 1.303 638 2HE LYS 75 2HE LYS 75 -4.560 20.607 0.763 639 1HZ LYS 75 1HZ LYS 75 -4.473 22.565 2.133 640 2HZ LYS 75 2HZ LYS 75 -3.688 21.717 3.378 641 3HZ LYS 75 3HZ LYS 75 -5.297 21.349 2.980 642 H GLU 76 H GLU 76 -3.132 13.811 2.501 643 HA GLU 76 HA GLU 76 -5.244 13.016 4.299 644 1HB GLU 76 1HB GLU 76 -3.158 11.647 2.642 645 2HB GLU 76 2HB GLU 76 -4.027 10.688 3.840 646 1HG GLU 76 1HG GLU 76 -6.131 11.932 2.761 647 2HG GLU 76 2HG GLU 76 -5.051 12.016 1.369 648 H LYS 77 H LYS 77 -1.825 13.592 4.956 649 HA LYS 77 HA LYS 77 -0.600 13.360 6.943 650 1HB LYS 77 1HB LYS 77 -3.136 14.125 7.630 651 2HB LYS 77 2HB LYS 77 -2.997 12.610 8.523 652 1HG LYS 77 1HG LYS 77 -0.840 13.418 9.484 653 2HG LYS 77 2HG LYS 77 -1.088 14.961 8.666 654 1HD LYS 77 1HD LYS 77 -3.395 14.970 9.871 655 2HD LYS 77 2HD LYS 77 -2.671 13.753 10.925 656 1HE LYS 77 1HE LYS 77 -2.056 15.677 12.080 657 2HE LYS 77 2HE LYS 77 -0.674 15.558 10.971 658 1HZ LYS 77 1HZ LYS 77 -1.735 17.760 10.891 659 2HZ LYS 77 2HZ LYS 77 -3.191 17.034 10.402 660 3HZ LYS 77 3HZ LYS 77 -1.821 16.957 9.400 661 H PHE 78 H PHE 78 -0.686 11.090 5.270 662 HA PHE 78 HA PHE 78 -1.557 8.650 6.478 663 1HB PHE 78 1HB PHE 78 0.366 9.476 4.383 664 2HB PHE 78 2HB PHE 78 0.741 7.929 5.137 665 HD1 PHE 78 HD1 PHE 78 -1.618 6.580 5.707 666 HD2 PHE 78 HD2 PHE 78 -0.901 9.255 2.419 667 HE1 PHE 78 HE1 PHE 78 -3.464 5.514 4.433 668 HE2 PHE 78 HE2 PHE 78 -2.739 8.180 1.145 669 HZ PHE 78 HZ PHE 78 -4.022 6.309 2.155 670 H SER 79 H SER 79 0.502 6.943 7.025 671 HA SER 79 HA SER 79 1.679 8.133 9.478 672 1HB SER 79 1HB SER 79 1.857 5.225 8.970 673 2HB SER 79 2HB SER 79 1.308 6.073 10.409 674 HG SER 79 HG SER 79 -0.319 4.875 9.156 675 HA PRO 80 HA PRO 80 5.761 7.576 7.983 676 1HB PRO 80 1HB PRO 80 7.100 5.928 9.683 677 2HB PRO 80 2HB PRO 80 6.646 7.592 10.087 678 1HG PRO 80 1HG PRO 80 5.383 5.038 10.907 679 2HG PRO 80 2HG PRO 80 5.596 6.540 11.819 680 1HD PRO 80 1HD PRO 80 3.255 5.766 10.639 681 2HD PRO 80 2HD PRO 80 3.676 7.451 11.005 682 H LEU 81 H LEU 81 3.816 4.686 8.114 683 HA LEU 81 HA LEU 81 5.791 3.300 6.344 684 1HB LEU 81 1HB LEU 81 3.975 2.486 8.549 685 2HB LEU 81 2HB LEU 81 4.017 1.397 7.152 686 HG LEU 81 HG LEU 81 6.661 2.378 8.090 687 1HD1 LEU 81 1HD1 LEU 81 5.548 1.966 10.239 688 2HD1 LEU 81 2HD1 LEU 81 6.749 0.714 9.918 689 3HD1 LEU 81 3HD1 LEU 81 5.036 0.374 9.680 690 1HD2 LEU 81 1HD2 LEU 81 6.795 0.797 6.372 691 2HD2 LEU 81 2HD2 LEU 81 5.431 -0.136 6.990 692 3HD2 LEU 81 3HD2 LEU 81 6.995 -0.217 7.802 693 H THR 82 H THR 82 3.248 5.292 5.887 694 HA THR 82 HA THR 82 1.995 3.493 3.865 695 HB THR 82 HB THR 82 0.547 5.846 5.038 696 HG1 THR 82 HG1 THR 82 0.097 4.665 6.857 697 1HG2 THR 82 1HG2 THR 82 -1.023 4.775 3.801 698 2HG2 THR 82 2HG2 THR 82 -0.976 3.487 5.001 699 3HG2 THR 82 3HG2 THR 82 0.017 3.379 3.552 700 H SER 83 H SER 83 4.161 6.028 3.903 701 HA SER 83 HA SER 83 2.934 7.249 1.459 702 1HB SER 83 1HB SER 83 4.193 9.230 2.021 703 2HB SER 83 2HB SER 83 3.509 8.669 3.544 704 HG SER 83 HG SER 83 5.819 9.191 3.543 705 H ASN 84 H ASN 84 4.166 4.711 1.421 706 HA ASN 84 HA ASN 84 6.457 5.187 -0.429 707 1HB ASN 84 1HB ASN 84 6.801 4.421 2.230 708 2HB ASN 84 2HB ASN 84 6.773 2.875 1.382 709 1HD2 ASN 84 1HD2 ASN 84 8.586 2.356 -0.018 710 2HD2 ASN 84 2HD2 ASN 84 9.939 3.370 -0.153 711 H LEU 85 H LEU 85 4.634 2.546 1.228 712 HA LEU 85 HA LEU 85 4.362 0.810 -1.038 713 1HB LEU 85 1HB LEU 85 3.830 0.096 1.255 714 2HB LEU 85 2HB LEU 85 2.573 1.322 1.385 715 HG LEU 85 HG LEU 85 1.392 0.187 -0.546 716 1HD1 LEU 85 1HD1 LEU 85 3.714 -1.677 -0.141 717 2HD1 LEU 85 2HD1 LEU 85 2.998 -1.102 -1.647 718 3HD1 LEU 85 3HD1 LEU 85 2.165 -2.325 -0.685 719 1HD2 LEU 85 1HD2 LEU 85 1.802 -0.923 2.179 720 2HD2 LEU 85 2HD2 LEU 85 1.016 -1.996 1.022 721 3HD2 LEU 85 3HD2 LEU 85 0.312 -0.421 1.380 722 H ILE 86 H ILE 86 2.625 3.819 -0.085 723 HA ILE 86 HA ILE 86 0.353 3.519 -1.794 724 HB ILE 86 HB ILE 86 0.669 5.265 -0.017 725 1HG1 ILE 86 1HG1 ILE 86 0.169 6.875 -2.460 726 2HG1 ILE 86 2HG1 ILE 86 -0.803 5.412 -2.295 727 1HG2 ILE 86 1HG2 ILE 86 3.044 5.829 -0.743 728 2HG2 ILE 86 2HG2 ILE 86 2.007 7.215 -0.410 729 3HG2 ILE 86 3HG2 ILE 86 2.332 6.737 -2.076 730 1HD1 ILE 86 1HD1 ILE 86 -1.908 6.188 -0.442 731 2HD1 ILE 86 2HD1 ILE 86 -1.520 7.746 -1.172 732 3HD1 ILE 86 3HD1 ILE 86 -0.515 7.109 0.133 733 H ASN 87 H ASN 87 3.659 4.721 -2.504 734 HA ASN 87 HA ASN 87 3.055 5.542 -5.232 735 1HB ASN 87 1HB ASN 87 5.520 4.919 -3.620 736 2HB ASN 87 2HB ASN 87 5.672 5.083 -5.369 737 1HD2 ASN 87 1HD2 ASN 87 6.602 6.963 -3.105 738 2HD2 ASN 87 2HD2 ASN 87 5.912 8.460 -3.511 739 H LEU 88 H LEU 88 4.521 2.556 -3.840 740 HA LEU 88 HA LEU 88 4.884 1.057 -6.217 741 1HB LEU 88 1HB LEU 88 4.273 0.422 -3.351 742 2HB LEU 88 2HB LEU 88 4.166 -0.892 -4.523 743 HG LEU 88 HG LEU 88 6.577 0.910 -4.482 744 1HD1 LEU 88 1HD1 LEU 88 5.870 -0.331 -2.199 745 2HD1 LEU 88 2HD1 LEU 88 7.551 -0.178 -2.708 746 3HD1 LEU 88 3HD1 LEU 88 6.672 -1.677 -3.009 747 1HD2 LEU 88 1HD2 LEU 88 6.233 -2.025 -5.172 748 2HD2 LEU 88 2HD2 LEU 88 7.637 -1.012 -5.510 749 3HD2 LEU 88 3HD2 LEU 88 6.116 -0.721 -6.354 750 H LEU 89 H LEU 89 1.879 1.523 -4.297 751 HA LEU 89 HA LEU 89 0.234 -0.320 -5.770 752 1HB LEU 89 1HB LEU 89 -0.213 2.127 -4.084 753 2HB LEU 89 2HB LEU 89 -1.575 1.480 -5.001 754 HG LEU 89 HG LEU 89 0.156 -0.189 -3.158 755 1HD1 LEU 89 1HD1 LEU 89 -2.664 0.488 -2.470 756 2HD1 LEU 89 2HD1 LEU 89 -1.471 1.770 -2.259 757 3HD1 LEU 89 3HD1 LEU 89 -1.277 0.237 -1.409 758 1HD2 LEU 89 1HD2 LEU 89 -0.883 -1.605 -4.738 759 2HD2 LEU 89 2HD2 LEU 89 -2.361 -0.643 -4.759 760 3HD2 LEU 89 3HD2 LEU 89 -1.981 -1.645 -3.358 761 H ALA 90 H ALA 90 1.005 3.142 -6.330 762 HA ALA 90 HA ALA 90 -0.399 2.951 -8.971 763 1HB ALA 90 1HB ALA 90 -0.487 4.820 -6.914 764 2HB ALA 90 2HB ALA 90 -1.031 5.101 -8.568 765 3HB ALA 90 3HB ALA 90 0.599 5.570 -8.084 766 H GLU 91 H GLU 91 2.386 1.835 -8.373 767 HA GLU 91 HA GLU 91 4.083 3.721 -9.964 768 1HB GLU 91 1HB GLU 91 4.920 2.851 -7.798 769 2HB GLU 91 2HB GLU 91 4.762 1.203 -8.403 770 1HG GLU 91 1HG GLU 91 6.357 3.157 -10.014 771 2HG GLU 91 2HG GLU 91 7.081 2.495 -8.548 772 H ASN 92 H ASN 92 3.018 0.260 -9.962 773 HA ASN 92 HA ASN 92 3.870 0.148 -12.843 774 1HB ASN 92 1HB ASN 92 4.082 -1.666 -10.500 775 2HB ASN 92 2HB ASN 92 3.718 -2.438 -12.044 776 1HD2 ASN 92 1HD2 ASN 92 6.315 -2.580 -10.519 777 2HD2 ASN 92 2HD2 ASN 92 7.487 -1.948 -11.573 778 H GLY 93 H GLY 93 1.149 1.033 -11.778 779 1HA GLY 93 1HA GLY 93 -1.049 0.717 -12.543 780 2HA GLY 93 2HA GLY 93 -0.466 -0.632 -13.527 781 H ARG 94 H ARG 94 -0.290 -0.083 -9.974 782 HA ARG 94 HA ARG 94 -1.495 -2.799 -9.648 783 1HB ARG 94 1HB ARG 94 0.835 -1.891 -8.736 784 2HB ARG 94 2HB ARG 94 -0.181 -1.271 -7.437 785 1HG ARG 94 1HG ARG 94 0.073 -3.338 -6.526 786 2HG ARG 94 2HG ARG 94 -1.145 -3.829 -7.704 787 1HD ARG 94 1HD ARG 94 1.770 -3.777 -8.486 788 2HD ARG 94 2HD ARG 94 1.091 -5.176 -7.630 789 HE ARG 94 HE ARG 94 -0.668 -5.227 -9.474 790 1HH1 ARG 94 1HH2 ARG 94 2.613 -5.084 -10.000 791 2HH1 ARG 94 2HH2 ARG 94 2.520 -4.646 -11.673 792 1HH2 ARG 94 1HH1 ARG 94 -0.898 -4.066 -11.605 793 2HH2 ARG 94 2HH1 ARG 94 0.532 -4.070 -12.582 794 H LEU 95 H LEU 95 -3.188 -0.348 -10.119 795 HA LEU 95 HA LEU 95 -4.484 -0.095 -7.426 796 1HB LEU 95 1HB LEU 95 -4.557 1.551 -9.975 797 2HB LEU 95 2HB LEU 95 -5.641 1.853 -8.617 798 HG LEU 95 HG LEU 95 -2.670 1.670 -8.171 799 1HD1 LEU 95 1HD1 LEU 95 -3.105 4.356 -8.263 800 2HD1 LEU 95 2HD1 LEU 95 -4.179 3.815 -9.553 801 3HD1 LEU 95 3HD1 LEU 95 -2.461 3.425 -9.615 802 1HD2 LEU 95 1HD2 LEU 95 -3.671 3.577 -6.497 803 2HD2 LEU 95 2HD2 LEU 95 -3.591 1.866 -6.084 804 3HD2 LEU 95 3HD2 LEU 95 -5.092 2.553 -6.701 805 H THR 96 H THR 96 -4.756 -2.469 -9.267 806 HA THR 96 HA THR 96 -7.674 -2.293 -9.935 807 HB THR 96 HB THR 96 -7.156 -4.247 -11.385 808 HG1 THR 96 HG1 THR 96 -5.082 -5.023 -11.474 809 1HG2 THR 96 1HG2 THR 96 -5.439 -1.783 -11.637 810 2HG2 THR 96 2HG2 THR 96 -6.899 -2.200 -12.532 811 3HG2 THR 96 3HG2 THR 96 -5.392 -3.058 -12.854 812 H ASN 97 H ASN 97 -5.169 -4.538 -8.603 813 HA ASN 97 HA ASN 97 -7.276 -5.803 -6.902 814 1HB ASN 97 1HB ASN 97 -4.444 -6.602 -7.683 815 2HB ASN 97 2HB ASN 97 -5.499 -7.562 -6.641 816 1HD2 ASN 97 1HD2 ASN 97 -4.754 -6.796 -9.972 817 2HD2 ASN 97 2HD2 ASN 97 -6.004 -7.712 -10.665 818 H THR 98 H THR 98 -6.175 -3.086 -6.288 819 HA THR 98 HA THR 98 -4.088 -3.284 -4.334 820 HB THR 98 HB THR 98 -4.765 -1.212 -5.547 821 HG1 THR 98 HG1 THR 98 -4.312 0.081 -3.822 822 1HG2 THR 98 1HG2 THR 98 -7.187 -1.391 -5.401 823 2HG2 THR 98 2HG2 THR 98 -6.671 0.092 -4.600 824 3HG2 THR 98 3HG2 THR 98 -7.117 -1.319 -3.641 825 HA PRO 99 HA PRO 99 -7.655 -3.347 -1.057 826 1HB PRO 99 1HB PRO 99 -9.709 -5.073 -1.656 827 2HB PRO 99 2HB PRO 99 -9.790 -3.320 -1.928 828 1HG PRO 99 1HG PRO 99 -9.133 -5.500 -3.860 829 2HG PRO 99 2HG PRO 99 -10.199 -4.099 -4.067 830 1HD PRO 99 1HD PRO 99 -7.753 -4.103 -5.078 831 2HD PRO 99 2HD PRO 99 -8.432 -2.632 -4.373 832 H ALA 100 H ALA 100 -6.973 -6.162 -3.183 833 HA ALA 100 HA ALA 100 -6.953 -8.225 -1.199 834 1HB ALA 100 1HB ALA 100 -4.946 -8.001 -3.461 835 2HB ALA 100 2HB ALA 100 -6.648 -8.356 -3.764 836 3HB ALA 100 3HB ALA 100 -5.676 -9.463 -2.795 837 H VAL 101 H VAL 101 -4.462 -5.771 -2.010 838 HA VAL 101 HA VAL 101 -2.317 -6.873 -0.432 839 HB VAL 101 HB VAL 101 -2.992 -3.969 -1.061 840 1HG1 VAL 101 1HG1 VAL 101 -0.172 -4.828 -0.804 841 2HG1 VAL 101 2HG1 VAL 101 -1.091 -4.858 0.700 842 3HG1 VAL 101 3HG1 VAL 101 -0.961 -3.362 -0.223 843 1HG2 VAL 101 1HG2 VAL 101 -2.496 -5.989 -2.861 844 2HG2 VAL 101 2HG2 VAL 101 -0.877 -5.350 -2.590 845 3HG2 VAL 101 3HG2 VAL 101 -2.162 -4.285 -3.156 846 H ILE 102 H ILE 102 -5.018 -4.663 0.434 847 HA ILE 102 HA ILE 102 -4.092 -4.219 3.161 848 HB ILE 102 HB ILE 102 -6.872 -4.001 1.940 849 1HG1 ILE 102 1HG1 ILE 102 -5.172 -1.615 2.467 850 2HG1 ILE 102 2HG1 ILE 102 -4.684 -2.636 1.116 851 1HG2 ILE 102 1HG2 ILE 102 -7.232 -2.361 3.798 852 2HG2 ILE 102 2HG2 ILE 102 -5.669 -2.831 4.469 853 3HG2 ILE 102 3HG2 ILE 102 -6.979 -4.009 4.375 854 1HD1 ILE 102 1HD1 ILE 102 -7.046 -0.890 1.397 855 2HD1 ILE 102 2HD1 ILE 102 -7.391 -2.480 0.719 856 3HD1 ILE 102 3HD1 ILE 102 -6.210 -1.427 -0.060 857 H SER 103 H SER 103 -6.437 -6.520 1.688 858 HA SER 103 HA SER 103 -7.329 -7.703 4.164 859 1HB SER 103 1HB SER 103 -8.338 -7.981 1.845 860 2HB SER 103 2HB SER 103 -7.013 -9.081 1.473 861 HG SER 103 HG SER 103 -8.675 -10.324 2.226 862 H ALA 104 H ALA 104 -4.712 -8.732 1.896 863 HA ALA 104 HA ALA 104 -3.796 -10.988 3.399 864 1HB ALA 104 1HB ALA 104 -2.812 -10.811 1.294 865 2HB ALA 104 2HB ALA 104 -1.508 -10.163 2.289 866 3HB ALA 104 3HB ALA 104 -2.592 -9.066 1.434 867 H PHE 105 H PHE 105 -3.062 -7.501 3.797 868 HA PHE 105 HA PHE 105 -0.911 -7.695 5.665 869 1HB PHE 105 1HB PHE 105 -1.991 -5.640 4.500 870 2HB PHE 105 2HB PHE 105 -3.142 -5.651 5.835 871 HD1 PHE 105 HD1 PHE 105 -0.098 -4.321 4.737 872 HD2 PHE 105 HD2 PHE 105 -1.965 -5.911 8.259 873 HE1 PHE 105 HE1 PHE 105 1.538 -3.120 6.152 874 HE2 PHE 105 HE2 PHE 105 -0.335 -4.709 9.663 875 HZ PHE 105 HZ PHE 105 1.417 -3.321 8.616 876 H SER 106 H SER 106 -4.465 -7.743 6.240 877 HA SER 106 HA SER 106 -4.257 -7.865 9.131 878 1HB SER 106 1HB SER 106 -6.299 -7.317 7.653 879 2HB SER 106 2HB SER 106 -6.479 -9.057 7.446 880 HG SER 106 HG SER 106 -7.699 -8.244 9.214 881 H THR 107 H THR 107 -4.395 -10.416 6.603 882 HA THR 107 HA THR 107 -4.482 -12.601 8.545 883 HB THR 107 HB THR 107 -3.439 -12.786 5.705 884 HG1 THR 107 HG1 THR 107 -5.506 -12.706 4.983 885 1HG2 THR 107 1HG2 THR 107 -4.803 -14.597 7.676 886 2HG2 THR 107 2HG2 THR 107 -3.370 -14.899 6.693 887 3HG2 THR 107 3HG2 THR 107 -4.968 -14.905 5.947 888 H MET 108 H MET 108 -1.839 -10.914 6.784 889 HA MET 108 HA MET 108 0.218 -12.742 7.782 890 1HB MET 108 1HB MET 108 0.319 -9.926 6.645 891 2HB MET 108 2HB MET 108 1.742 -10.913 6.979 892 1HG MET 108 1HG MET 108 -0.517 -11.767 5.148 893 2HG MET 108 2HG MET 108 0.982 -11.031 4.585 894 1HE MET 108 1HE MET 108 -0.976 -13.777 5.116 895 2HE MET 108 2HE MET 108 -0.378 -14.329 6.680 896 3HE MET 108 3HE MET 108 0.015 -15.240 5.223 897 H MET 109 H MET 109 -1.189 -9.632 8.900 898 HA MET 109 HA MET 109 0.705 -9.042 10.967 899 1HB MET 109 1HB MET 109 -1.143 -7.541 10.208 900 2HB MET 109 2HB MET 109 -2.317 -8.626 10.953 901 1HG MET 109 1HG MET 109 -0.077 -7.666 12.672 902 2HG MET 109 2HG MET 109 -1.326 -6.494 12.251 903 1HE MET 109 1HE MET 109 -2.988 -6.016 13.783 904 2HE MET 109 2HE MET 109 -1.698 -6.350 14.935 905 3HE MET 109 3HE MET 109 -3.325 -6.948 15.249 906 H SER 110 H SER 110 -2.160 -11.257 10.984 907 HA SER 110 HA SER 110 -2.088 -11.888 13.789 908 1HB SER 110 1HB SER 110 -2.873 -13.473 11.328 909 2HB SER 110 2HB SER 110 -3.067 -14.124 12.952 910 HG SER 110 HG SER 110 -4.292 -11.882 11.752 911 H VAL 111 H VAL 111 -0.009 -13.051 11.126 912 HA VAL 111 HA VAL 111 1.227 -15.133 12.799 913 HB VAL 111 HB VAL 111 2.069 -13.911 10.144 914 1HG1 VAL 111 1HG1 VAL 111 3.336 -16.029 9.877 915 2HG1 VAL 111 2HG1 VAL 111 2.873 -16.497 11.513 916 3HG1 VAL 111 3HG1 VAL 111 3.911 -15.093 11.258 917 1HG2 VAL 111 1HG2 VAL 111 -0.244 -15.069 10.373 918 2HG2 VAL 111 2HG2 VAL 111 0.682 -16.557 10.569 919 3HG2 VAL 111 3HG2 VAL 111 0.825 -15.618 9.082 920 H HIS 112 H HIS 112 1.647 -11.684 12.644 921 HA HIS 112 HA HIS 112 4.500 -11.805 13.354 922 1HB HIS 112 1HB HIS 112 4.483 -9.645 12.617 923 2HB HIS 112 2HB HIS 112 2.895 -10.035 11.977 924 HD1 HIS 112 HD1 HIS 112 0.901 -9.623 13.985 925 HD2 HIS 112 HD2 HIS 112 4.407 -7.454 14.158 926 HE1 HIS 112 HE1 HIS 112 0.425 -7.654 15.485 927 H ARG 113 H ARG 113 1.348 -11.651 14.985 928 HA ARG 113 HA ARG 113 2.623 -10.789 17.532 929 1HB ARG 113 1HB ARG 113 0.218 -10.245 16.428 930 2HB ARG 113 2HB ARG 113 -0.227 -11.664 17.377 931 1HG ARG 113 1HG ARG 113 0.408 -10.650 19.414 932 2HG ARG 113 2HG ARG 113 1.362 -9.409 18.598 933 1HD ARG 113 1HD ARG 113 -0.461 -8.078 18.241 934 2HD ARG 113 2HD ARG 113 -1.505 -9.458 17.846 935 HE ARG 113 HE ARG 113 -1.536 -9.941 20.337 936 1HH1 ARG 113 1HH1 ARG 113 -2.421 -7.043 19.144 937 2HH1 ARG 113 2HH1 ARG 113 -2.110 -6.108 20.569 938 1HH2 ARG 113 1HH2 ARG 113 -0.390 -8.650 22.184 939 2HH2 ARG 113 2HH2 ARG 113 -0.961 -7.018 22.290 940 H GLY 114 H GLY 114 1.126 -13.714 16.063 941 1HA GLY 114 1HA GLY 114 1.089 -15.294 18.450 942 2HA GLY 114 2HA GLY 114 1.097 -15.931 16.806 943 H GLU 115 H GLU 115 3.682 -14.669 16.055 944 HA GLU 115 HA GLU 115 5.481 -16.442 17.670 945 1HB GLU 115 1HB GLU 115 4.899 -16.521 15.019 946 2HB GLU 115 2HB GLU 115 6.277 -15.421 14.992 947 1HG GLU 115 1HG GLU 115 7.733 -17.019 15.921 948 2HG GLU 115 2HG GLU 115 6.404 -17.997 16.549 949 H VAL 116 H VAL 116 5.418 -14.319 19.134 950 HA VAL 116 HA VAL 116 7.372 -12.297 18.084 951 HB VAL 116 HB VAL 116 5.407 -12.231 20.405 952 1HG1 VAL 116 1HG1 VAL 116 5.976 -9.657 19.979 953 2HG1 VAL 116 2HG1 VAL 116 7.498 -10.342 19.410 954 3HG1 VAL 116 3HG1 VAL 116 6.956 -10.646 21.060 955 1HG2 VAL 116 1HG2 VAL 116 3.896 -11.211 19.007 956 2HG2 VAL 116 2HG2 VAL 116 4.754 -12.148 17.783 957 3HG2 VAL 116 3HG2 VAL 116 5.154 -10.449 18.032 958 HA PRO 117 HA PRO 117 9.840 -14.716 21.109 959 1HB PRO 117 1HB PRO 117 12.248 -14.342 19.866 960 2HB PRO 117 2HB PRO 117 11.115 -15.631 19.410 961 1HG PRO 117 1HG PRO 117 11.629 -13.014 18.099 962 2HG PRO 117 2HG PRO 117 11.280 -14.591 17.377 963 1HD PRO 117 1HD PRO 117 9.434 -12.587 17.636 964 2HD PRO 117 2HD PRO 117 9.022 -14.314 17.552 965 H CYS 118 H CYS 118 10.844 -11.608 19.554 966 HA CYS 118 HA CYS 118 11.271 -10.457 22.261 967 1HB CYS 118 1HB CYS 118 13.361 -11.648 21.348 968 2HB CYS 118 2HB CYS 118 13.428 -10.359 20.145 969 HG CYS 118 HG CYS 118 14.337 -10.085 22.995 970 H THR 119 H THR 119 9.404 -9.082 21.540 971 HA THR 119 HA THR 119 10.339 -6.813 19.846 972 HB THR 119 HB THR 119 7.758 -8.361 19.445 973 HG1 THR 119 HG1 THR 119 9.352 -9.566 18.583 974 1HG2 THR 119 1HG2 THR 119 7.830 -6.913 17.285 975 2HG2 THR 119 2HG2 THR 119 8.941 -5.892 18.197 976 3HG2 THR 119 3HG2 THR 119 7.299 -6.155 18.786 977 H VAL 120 H VAL 120 10.331 -5.967 22.231 978 HA VAL 120 HA VAL 120 9.308 -4.684 23.925 979 HB VAL 120 HB VAL 120 7.326 -4.273 21.657 980 1HG1 VAL 120 1HG1 VAL 120 7.788 -2.927 24.298 981 2HG1 VAL 120 2HG1 VAL 120 6.267 -3.303 23.489 982 3HG1 VAL 120 3HG1 VAL 120 7.257 -1.955 22.927 983 1HG2 VAL 120 1HG2 VAL 120 8.839 -2.087 21.564 984 2HG2 VAL 120 2HG2 VAL 120 9.329 -3.559 20.724 985 3HG2 VAL 120 3HG2 VAL 120 10.036 -3.160 22.289 986 1H GLN 1 1H GLN 1 17.660 -3.702 -15.900 987 2H GLN 1 2H GLN 1 19.010 -2.777 -16.355 988 3H GLN 1 3H GLN 1 17.619 -2.013 -15.749 989 HA GLN 1 HA GLN 1 19.465 -3.787 -14.229 990 1HB GLN 1 1HB GLN 1 19.063 -0.878 -14.679 991 2HB GLN 1 2HB GLN 1 19.371 -1.359 -13.010 992 1HG GLN 1 1HG GLN 1 21.090 -2.395 -15.260 993 2HG GLN 1 2HG GLN 1 21.417 -0.828 -14.516 994 1HE2 GLN 1 1HE2 GLN 1 22.465 -3.954 -14.311 995 2HE2 GLN 1 2HE2 GLN 1 22.831 -4.029 -12.655 996 H LYS 2 H LYS 2 16.710 -1.459 -13.842 997 HA LYS 2 HA LYS 2 15.683 -3.243 -11.655 998 1HB LYS 2 1HB LYS 2 15.912 -0.278 -12.048 999 2HB LYS 2 2HB LYS 2 14.593 -0.896 -11.054 1000 1HG LYS 2 1HG LYS 2 16.201 -0.730 -9.417 1001 2HG LYS 2 2HG LYS 2 16.592 -2.346 -10.008 1002 1HD LYS 2 1HD LYS 2 18.445 -1.594 -11.227 1003 2HD LYS 2 2HD LYS 2 17.852 0.065 -11.289 1004 1HE LYS 2 1HE LYS 2 18.105 -0.048 -8.662 1005 2HE LYS 2 2HE LYS 2 19.241 -1.360 -9.037 1006 1HZ LYS 2 1HZ LYS 2 20.391 0.077 -10.570 1007 2HZ LYS 2 2HZ LYS 2 20.321 0.836 -9.051 1008 3HZ LYS 2 3HZ LYS 2 19.281 1.331 -10.300 1009 H THR 3 H THR 3 14.892 -3.919 -14.264 1010 HA THR 3 HA THR 3 12.142 -2.735 -14.494 1011 HB THR 3 HB THR 3 12.445 -3.604 -16.906 1012 HG1 THR 3 HG1 THR 3 14.175 -4.937 -16.646 1013 1HG2 THR 3 1HG2 THR 3 14.011 -1.362 -15.653 1014 2HG2 THR 3 2HG2 THR 3 12.563 -1.275 -16.657 1015 3HG2 THR 3 3HG2 THR 3 14.120 -1.667 -17.387 1016 H GLY 4 H GLY 4 12.261 -4.729 -12.602 1017 1HA GLY 4 1HA GLY 4 11.150 -7.095 -14.060 1018 2HA GLY 4 2HA GLY 4 12.218 -7.297 -12.671 1019 H THR 5 H THR 5 9.689 -8.440 -12.499 1020 HA THR 5 HA THR 5 8.348 -6.644 -10.509 1021 HB THR 5 HB THR 5 7.132 -6.615 -12.645 1022 HG1 THR 5 HG1 THR 5 5.198 -7.112 -11.787 1023 1HG2 THR 5 1HG2 THR 5 6.057 -9.110 -13.017 1024 2HG2 THR 5 2HG2 THR 5 7.700 -9.506 -12.513 1025 3HG2 THR 5 3HG2 THR 5 7.433 -8.474 -13.918 1026 H ALA 6 H ALA 6 10.082 -8.412 -9.426 1027 HA ALA 6 HA ALA 6 8.363 -10.714 -8.553 1028 1HB ALA 6 1HB ALA 6 11.377 -10.699 -8.872 1029 2HB ALA 6 2HB ALA 6 10.283 -11.212 -10.156 1030 3HB ALA 6 3HB ALA 6 10.332 -12.099 -8.632 1031 H GLU 7 H GLU 7 7.757 -9.933 -6.468 1032 HA GLU 7 HA GLU 7 8.033 -9.256 -4.226 1033 1HB GLU 7 1HB GLU 7 9.783 -11.295 -4.819 1034 2HB GLU 7 2HB GLU 7 10.875 -10.067 -4.181 1035 1HG GLU 7 1HG GLU 7 9.505 -9.870 -2.153 1036 2HG GLU 7 2HG GLU 7 8.368 -11.057 -2.791 1037 H VAL 8 H VAL 8 8.505 -7.204 -6.201 1038 HA VAL 8 HA VAL 8 10.981 -5.786 -5.819 1039 HB VAL 8 HB VAL 8 8.199 -4.724 -6.449 1040 1HG1 VAL 8 1HG1 VAL 8 9.338 -2.756 -6.098 1041 2HG1 VAL 8 2HG1 VAL 8 9.887 -3.072 -7.744 1042 3HG1 VAL 8 3HG1 VAL 8 10.913 -3.499 -6.374 1043 1HG2 VAL 8 1HG2 VAL 8 10.315 -6.117 -8.016 1044 2HG2 VAL 8 2HG2 VAL 8 9.508 -4.762 -8.807 1045 3HG2 VAL 8 3HG2 VAL 8 8.566 -6.136 -8.230 1046 H SER 9 H SER 9 7.869 -5.616 -4.025 1047 HA SER 9 HA SER 9 8.502 -3.422 -2.307 1048 1HB SER 9 1HB SER 9 6.983 -5.937 -1.537 1049 2HB SER 9 2HB SER 9 6.773 -4.325 -0.860 1050 HG SER 9 HG SER 9 5.838 -3.662 -2.710 1051 H SER 10 H SER 10 9.510 -6.855 -2.109 1052 HA SER 10 HA SER 10 10.614 -6.708 0.566 1053 1HB SER 10 1HB SER 10 10.910 -8.489 -1.837 1054 2HB SER 10 2HB SER 10 12.065 -8.665 -0.518 1055 HG SER 10 HG SER 10 10.305 -10.002 -0.137 1056 H ILE 11 H ILE 11 12.284 -6.593 -2.643 1057 HA ILE 11 HA ILE 11 14.845 -5.856 -1.573 1058 HB ILE 11 HB ILE 11 15.365 -5.142 -3.880 1059 1HG1 ILE 11 1HG1 ILE 11 12.428 -5.572 -4.494 1060 2HG1 ILE 11 2HG1 ILE 11 13.140 -3.980 -4.244 1061 1HG2 ILE 11 1HG2 ILE 11 14.801 -7.642 -3.085 1062 2HG2 ILE 11 2HG2 ILE 11 15.273 -7.266 -4.742 1063 3HG2 ILE 11 3HG2 ILE 11 13.569 -7.472 -4.336 1064 1HD1 ILE 11 1HD1 ILE 11 13.446 -5.855 -6.527 1065 2HD1 ILE 11 2HD1 ILE 11 14.895 -4.977 -6.039 1066 3HD1 ILE 11 3HD1 ILE 11 13.445 -4.091 -6.511 1067 H LEU 12 H LEU 12 12.005 -3.840 -2.399 1068 HA LEU 12 HA LEU 12 13.358 -1.287 -2.214 1069 1HB LEU 12 1HB LEU 12 10.570 -2.297 -2.263 1070 2HB LEU 12 2HB LEU 12 10.777 -0.776 -1.399 1071 HG LEU 12 HG LEU 12 11.984 0.147 -3.374 1072 1HD1 LEU 12 1HD1 LEU 12 11.103 -2.444 -4.685 1073 2HD1 LEU 12 2HD1 LEU 12 12.767 -2.019 -4.285 1074 3HD1 LEU 12 3HD1 LEU 12 11.887 -1.090 -5.499 1075 1HD2 LEU 12 1HD2 LEU 12 9.594 0.582 -3.137 1076 2HD2 LEU 12 2HD2 LEU 12 9.208 -0.971 -3.880 1077 3HD2 LEU 12 3HD2 LEU 12 9.961 0.304 -4.839 1078 H GLU 13 H GLU 13 11.779 -3.372 0.255 1079 HA GLU 13 HA GLU 13 11.885 -1.525 2.446 1080 1HB GLU 13 1HB GLU 13 10.722 -3.758 2.399 1081 2HB GLU 13 2HB GLU 13 12.301 -4.536 2.529 1082 1HG GLU 13 1HG GLU 13 11.675 -2.418 4.528 1083 2HG GLU 13 2HG GLU 13 10.815 -3.950 4.692 1084 H GLU 14 H GLU 14 14.380 -3.798 1.210 1085 HA GLU 14 HA GLU 14 16.318 -3.289 3.297 1086 1HB GLU 14 1HB GLU 14 16.371 -4.359 0.486 1087 2HB GLU 14 2HB GLU 14 17.902 -4.001 1.287 1088 1HG GLU 14 1HG GLU 14 17.320 -5.475 3.144 1089 2HG GLU 14 2HG GLU 14 15.727 -5.769 2.446 1090 H ARG 15 H ARG 15 15.708 -1.688 0.139 1091 HA ARG 15 HA ARG 15 17.996 0.064 0.201 1092 1HB ARG 15 1HB ARG 15 15.300 0.076 -1.140 1093 2HB ARG 15 2HB ARG 15 16.340 1.493 -1.276 1094 1HG ARG 15 1HG ARG 15 17.960 0.361 -2.489 1095 2HG ARG 15 2HG ARG 15 17.531 -1.204 -1.799 1096 1HD ARG 15 1HD ARG 15 15.679 -1.472 -3.232 1097 2HD ARG 15 2HD ARG 15 15.589 0.265 -3.588 1098 HE ARG 15 HE ARG 15 17.439 -1.644 -4.832 1099 1HH1 ARG 15 1HH1 ARG 15 15.915 0.921 -5.846 1100 2HH1 ARG 15 2HH1 ARG 15 17.275 1.906 -6.268 1101 1HH2 ARG 15 1HH2 ARG 15 19.569 -0.073 -4.580 1102 2HH2 ARG 15 2HH2 ARG 15 19.343 1.344 -5.552 1103 H ILE 16 H ILE 16 14.719 0.407 1.629 1104 HA ILE 16 HA ILE 16 15.335 3.157 2.531 1105 HB ILE 16 HB ILE 16 13.050 3.116 3.418 1106 1HG1 ILE 16 1HG1 ILE 16 12.762 0.257 2.490 1107 2HG1 ILE 16 2HG1 ILE 16 13.270 0.623 4.138 1108 1HG2 ILE 16 1HG2 ILE 16 13.382 3.478 0.994 1109 2HG2 ILE 16 2HG2 ILE 16 11.849 2.671 1.326 1110 3HG2 ILE 16 3HG2 ILE 16 13.221 1.743 0.721 1111 1HD1 ILE 16 1HD1 ILE 16 10.942 0.490 4.352 1112 2HD1 ILE 16 2HD1 ILE 16 10.660 1.252 2.786 1113 3HD1 ILE 16 3HD1 ILE 16 11.206 2.223 4.153 1114 H LEU 17 H LEU 17 15.338 -0.115 3.963 1115 HA LEU 17 HA LEU 17 16.004 1.119 6.614 1116 1HB LEU 17 1HB LEU 17 14.539 -1.267 5.658 1117 2HB LEU 17 2HB LEU 17 15.595 -1.566 7.038 1118 HG LEU 17 HG LEU 17 14.497 0.649 7.968 1119 1HD1 LEU 17 1HD1 LEU 17 13.203 1.263 6.039 1120 2HD1 LEU 17 2HD1 LEU 17 12.060 0.688 7.252 1121 3HD1 LEU 17 3HD1 LEU 17 12.519 -0.357 5.907 1122 1HD2 LEU 17 1HD2 LEU 17 14.312 -1.596 8.989 1123 2HD2 LEU 17 2HD2 LEU 17 13.018 -2.001 7.861 1124 3HD2 LEU 17 3HD2 LEU 17 12.773 -0.738 9.066 1125 H GLY 18 H GLY 18 16.870 -1.966 4.921 1126 1HA GLY 18 1HA GLY 18 18.949 -3.013 4.677 1127 2HA GLY 18 2HA GLY 18 19.652 -1.396 4.685 1128 H ALA 19 H ALA 19 20.943 -0.881 6.442 1129 HA ALA 19 HA ALA 19 20.480 -2.368 9.000 1130 1HB ALA 19 1HB ALA 19 22.247 -3.568 7.991 1131 2HB ALA 19 2HB ALA 19 23.088 -2.418 9.030 1132 3HB ALA 19 3HB ALA 19 22.957 -2.110 7.298 1133 H ASP 20 H ASP 20 19.697 0.378 8.384 1134 HA ASP 20 HA ASP 20 21.683 1.909 10.039 1135 1HB ASP 20 1HB ASP 20 21.247 2.445 7.536 1136 2HB ASP 20 2HB ASP 20 19.693 3.074 8.089 1137 H THR 21 H THR 21 20.837 2.308 12.092 1138 HA THR 21 HA THR 21 17.875 2.758 12.302 1139 HB THR 21 HB THR 21 18.223 1.715 14.609 1140 HG1 THR 21 HG1 THR 21 20.382 1.834 14.874 1141 1HG2 THR 21 1HG2 THR 21 18.718 -0.636 13.446 1142 2HG2 THR 21 2HG2 THR 21 18.478 0.320 11.983 1143 3HG2 THR 21 3HG2 THR 21 17.196 0.217 13.189 1144 H SER 22 H SER 22 18.542 5.138 12.032 1145 HA SER 22 HA SER 22 19.301 6.263 14.693 1146 1HB SER 22 1HB SER 22 21.376 6.391 13.645 1147 2HB SER 22 2HB SER 22 20.668 6.530 12.039 1148 HG SER 22 HG SER 22 21.532 8.515 12.754 1149 H VAL 23 H VAL 23 18.132 8.181 15.170 1150 HA VAL 23 HA VAL 23 16.622 9.471 12.937 1151 HB VAL 23 HB VAL 23 14.599 9.415 14.398 1152 1HG1 VAL 23 1HG1 VAL 23 15.678 6.610 14.116 1153 2HG1 VAL 23 2HG1 VAL 23 15.262 7.580 12.703 1154 3HG1 VAL 23 3HG1 VAL 23 14.023 7.178 13.892 1155 1HG2 VAL 23 1HG2 VAL 23 14.598 8.535 16.521 1156 2HG2 VAL 23 2HG2 VAL 23 16.302 8.985 16.463 1157 3HG2 VAL 23 3HG2 VAL 23 15.818 7.322 16.130 1158 H ASP 24 H ASP 24 18.944 10.598 14.080 1159 HA ASP 24 HA ASP 24 17.834 12.701 15.916 1160 1HB ASP 24 1HB ASP 24 19.782 10.912 16.448 1161 2HB ASP 24 2HB ASP 24 20.759 12.168 15.687 1162 H LEU 25 H LEU 25 20.525 12.253 13.524 1163 HA LEU 25 HA LEU 25 19.744 14.863 12.295 1164 1HB LEU 25 1HB LEU 25 21.754 14.628 14.131 1165 2HB LEU 25 2HB LEU 25 22.641 14.332 12.635 1166 HG LEU 25 HG LEU 25 20.776 16.687 12.998 1167 1HD1 LEU 25 1HD1 LEU 25 22.972 17.977 13.215 1168 2HD1 LEU 25 2HD1 LEU 25 23.744 16.421 13.524 1169 3HD1 LEU 25 3HD1 LEU 25 22.500 17.023 14.621 1170 1HD2 LEU 25 1HD2 LEU 25 21.233 16.074 10.680 1171 2HD2 LEU 25 2HD2 LEU 25 22.965 16.011 11.008 1172 3HD2 LEU 25 3HD2 LEU 25 22.111 17.553 11.068 Start of MODEL 9 1 1H PHE 1 1H PHE 1 8.070 -31.609 12.786 2 2H PHE 1 2H PHE 1 8.389 -30.023 12.266 3 3H PHE 1 3H PHE 1 9.061 -31.344 11.436 4 HA PHE 1 HA PHE 1 6.182 -30.598 11.553 5 1HB PHE 1 1HB PHE 1 8.149 -29.491 10.109 6 2HB PHE 1 2HB PHE 1 7.849 -30.899 9.089 7 HD1 PHE 1 HD1 PHE 1 6.374 -27.826 10.516 8 HD2 PHE 1 HD2 PHE 1 5.760 -31.168 7.888 9 HE1 PHE 1 HE1 PHE 1 4.360 -26.720 9.580 10 HE2 PHE 1 HE2 PHE 1 3.747 -30.063 6.953 11 HZ PHE 1 HZ PHE 1 3.047 -27.839 7.798 12 H ALA 2 H ALA 2 4.850 -32.062 10.099 13 HA ALA 2 HA ALA 2 5.970 -34.848 10.056 14 1HB ALA 2 1HB ALA 2 3.334 -33.624 10.786 15 2HB ALA 2 2HB ALA 2 4.232 -34.906 11.600 16 3HB ALA 2 3HB ALA 2 3.339 -35.258 10.121 17 H LYS 3 H LYS 3 4.305 -36.170 8.399 18 HA LYS 3 HA LYS 3 4.341 -34.584 5.848 19 1HB LYS 3 1HB LYS 3 4.863 -37.495 6.509 20 2HB LYS 3 2HB LYS 3 4.647 -36.920 4.856 21 1HG LYS 3 1HG LYS 3 6.503 -35.275 5.252 22 2HG LYS 3 2HG LYS 3 6.778 -36.035 6.819 23 1HD LYS 3 1HD LYS 3 7.438 -38.088 5.837 24 2HD LYS 3 2HD LYS 3 6.761 -37.649 4.268 25 1HE LYS 3 1HE LYS 3 8.880 -35.853 5.369 26 2HE LYS 3 2HE LYS 3 9.391 -37.437 4.752 27 1HZ LYS 3 1HZ LYS 3 7.643 -35.519 3.303 28 2HZ LYS 3 2HZ LYS 3 8.177 -37.023 2.720 29 3HZ LYS 3 3HZ LYS 3 9.289 -35.765 2.980 30 H LEU 4 H LEU 4 2.047 -33.906 6.294 31 HA LEU 4 HA LEU 4 0.099 -36.164 5.937 32 1HB LEU 4 1HB LEU 4 0.109 -33.611 7.531 33 2HB LEU 4 2HB LEU 4 -1.426 -34.333 7.047 34 HG LEU 4 HG LEU 4 -0.241 -36.541 7.989 35 1HD1 LEU 4 1HD1 LEU 4 1.852 -35.274 8.524 36 2HD1 LEU 4 2HD1 LEU 4 1.130 -36.038 9.940 37 3HD1 LEU 4 3HD1 LEU 4 0.930 -34.306 9.674 38 1HD2 LEU 4 1HD2 LEU 4 -2.334 -35.046 8.745 39 2HD2 LEU 4 2HD2 LEU 4 -1.263 -34.693 10.102 40 3HD2 LEU 4 3HD2 LEU 4 -1.722 -36.360 9.751 41 H VAL 5 H VAL 5 -2.140 -34.937 5.084 42 HA VAL 5 HA VAL 5 -1.304 -33.265 2.734 43 HB VAL 5 HB VAL 5 -3.428 -35.428 2.956 44 1HG1 VAL 5 1HG1 VAL 5 -3.128 -35.041 0.315 45 2HG1 VAL 5 2HG1 VAL 5 -2.739 -33.412 0.870 46 3HG1 VAL 5 3HG1 VAL 5 -4.301 -34.130 1.267 47 1HG2 VAL 5 1HG2 VAL 5 -1.284 -36.484 2.912 48 2HG2 VAL 5 2HG2 VAL 5 -0.667 -35.342 1.717 49 3HG2 VAL 5 3HG2 VAL 5 -1.871 -36.543 1.251 50 H ARG 6 H ARG 6 -1.997 -31.793 4.933 51 HA ARG 6 HA ARG 6 -4.758 -30.857 4.271 52 1HB ARG 6 1HB ARG 6 -3.624 -31.869 6.852 53 2HB ARG 6 2HB ARG 6 -4.794 -30.551 6.924 54 1HG ARG 6 1HG ARG 6 -6.342 -31.924 5.505 55 2HG ARG 6 2HG ARG 6 -5.198 -33.262 5.630 56 1HD ARG 6 1HD ARG 6 -5.768 -33.714 7.805 57 2HD ARG 6 2HD ARG 6 -5.986 -31.998 8.206 58 HE ARG 6 HE ARG 6 -8.163 -32.097 6.988 59 1HH1 ARG 6 1HH1 ARG 6 -6.934 -34.980 6.113 60 2HH1 ARG 6 2HH1 ARG 6 -8.196 -35.972 6.765 61 1HH2 ARG 6 1HH2 ARG 6 -9.651 -33.394 8.571 62 2HH2 ARG 6 2HH2 ARG 6 -9.734 -35.074 8.156 63 HA PRO 7 HA PRO 7 -1.554 -27.478 4.728 64 1HB PRO 7 1HB PRO 7 -1.960 -26.299 2.293 65 2HB PRO 7 2HB PRO 7 -0.802 -27.620 2.543 66 1HG PRO 7 1HG PRO 7 -3.544 -27.700 1.393 67 2HG PRO 7 2HG PRO 7 -2.092 -28.595 0.918 68 1HD PRO 7 1HD PRO 7 -4.118 -29.667 2.403 69 2HD PRO 7 2HD PRO 7 -2.435 -30.230 2.476 70 HA PRO 8 HA PRO 8 -4.810 -24.696 5.850 71 1HB PRO 8 1HB PRO 8 -3.420 -22.352 6.079 72 2HB PRO 8 2HB PRO 8 -3.309 -23.660 7.274 73 1HG PRO 8 1HG PRO 8 -1.431 -22.930 5.087 74 2HG PRO 8 2HG PRO 8 -1.088 -23.502 6.727 75 1HD PRO 8 1HD PRO 8 -0.960 -25.091 4.508 76 2HD PRO 8 2HD PRO 8 -1.299 -25.701 6.143 77 H VAL 9 H VAL 9 -5.360 -22.120 5.126 78 HA VAL 9 HA VAL 9 -5.071 -21.994 2.147 79 HB VAL 9 HB VAL 9 -7.496 -21.408 2.077 80 1HG1 VAL 9 1HG1 VAL 9 -6.592 -23.788 1.882 81 2HG1 VAL 9 2HG1 VAL 9 -8.294 -23.646 2.324 82 3HG1 VAL 9 3HG1 VAL 9 -7.090 -24.013 3.558 83 1HG2 VAL 9 1HG2 VAL 9 -7.200 -20.890 4.769 84 2HG2 VAL 9 2HG2 VAL 9 -8.013 -22.454 4.791 85 3HG2 VAL 9 3HG2 VAL 9 -8.750 -21.089 3.952 86 H GLN 10 H GLN 10 -3.363 -20.346 3.192 87 HA GLN 10 HA GLN 10 -4.748 -17.696 3.421 88 1HB GLN 10 1HB GLN 10 -3.049 -17.129 5.152 89 2HB GLN 10 2HB GLN 10 -4.036 -18.509 5.633 90 1HG GLN 10 1HG GLN 10 -2.296 -20.061 5.078 91 2HG GLN 10 2HG GLN 10 -1.358 -18.815 4.254 92 1HE2 GLN 10 1HE2 GLN 10 -0.256 -17.165 5.630 93 2HE2 GLN 10 2HE2 GLN 10 -0.006 -17.467 7.282 94 H ILE 11 H ILE 11 -3.394 -15.861 2.663 95 HA ILE 11 HA ILE 11 -1.910 -14.831 1.169 96 HB ILE 11 HB ILE 11 -0.249 -17.278 1.834 97 1HG1 ILE 11 1HG1 ILE 11 -0.977 -16.075 3.859 98 2HG1 ILE 11 2HG1 ILE 11 0.743 -15.818 3.579 99 1HG2 ILE 11 1HG2 ILE 11 0.244 -14.738 0.370 100 2HG2 ILE 11 2HG2 ILE 11 0.970 -16.328 0.141 101 3HG2 ILE 11 3HG2 ILE 11 1.520 -15.290 1.456 102 1HD1 ILE 11 1HD1 ILE 11 -0.541 -13.759 2.151 103 2HD1 ILE 11 2HD1 ILE 11 0.341 -13.598 3.670 104 3HD1 ILE 11 3HD1 ILE 11 -1.402 -13.864 3.686 105 H TYR 12 H TYR 12 -2.326 -14.741 -1.011 106 HA TYR 12 HA TYR 12 -1.769 -17.078 -2.739 107 1HB TYR 12 1HB TYR 12 -4.450 -16.271 -3.413 108 2HB TYR 12 2HB TYR 12 -3.909 -17.845 -2.848 109 HD1 TYR 12 HD1 TYR 12 -4.302 -18.566 -0.604 110 HD2 TYR 12 HD2 TYR 12 -5.146 -14.514 -1.746 111 HE1 TYR 12 HE1 TYR 12 -5.398 -18.180 1.576 112 HE2 TYR 12 HE2 TYR 12 -6.259 -14.134 0.431 113 HH TYR 12 HH TYR 12 -7.378 -16.366 2.345 114 H GLY 13 H GLY 13 -0.262 -15.445 -3.708 115 1HA GLY 13 1HA GLY 13 -0.469 -14.307 -5.979 116 2HA GLY 13 2HA GLY 13 -1.708 -13.311 -5.210 117 H ILE 14 H ILE 14 1.479 -13.275 -6.095 118 HA ILE 14 HA ILE 14 3.053 -12.261 -4.024 119 HB ILE 14 HB ILE 14 3.806 -12.537 -6.356 120 1HG1 ILE 14 1HG1 ILE 14 5.147 -10.458 -6.564 121 2HG1 ILE 14 2HG1 ILE 14 4.116 -9.681 -5.365 122 1HG2 ILE 14 1HG2 ILE 14 2.490 -9.927 -7.067 123 2HG2 ILE 14 2HG2 ILE 14 1.589 -11.435 -7.208 124 3HG2 ILE 14 3HG2 ILE 14 3.070 -11.204 -8.135 125 1HD1 ILE 14 1HD1 ILE 14 5.261 -12.287 -4.545 126 2HD1 ILE 14 2HD1 ILE 14 5.081 -10.795 -3.623 127 3HD1 ILE 14 3HD1 ILE 14 6.428 -10.979 -4.746 128 H GLU 15 H GLU 15 0.385 -10.512 -5.659 129 HA GLU 15 HA GLU 15 0.833 -7.875 -4.724 130 1HB GLU 15 1HB GLU 15 -1.508 -9.528 -5.511 131 2HB GLU 15 2HB GLU 15 -1.886 -8.119 -4.525 132 1HG GLU 15 1HG GLU 15 -1.892 -7.078 -6.570 133 2HG GLU 15 2HG GLU 15 -0.160 -6.979 -6.252 134 H GLY 16 H GLY 16 -0.412 -10.708 -2.911 135 1HA GLY 16 1HA GLY 16 -1.185 -9.149 -0.578 136 2HA GLY 16 2HA GLY 16 -0.957 -10.902 -0.620 137 H ARG 17 H ARG 17 1.755 -10.985 -1.524 138 HA ARG 17 HA ARG 17 3.216 -10.663 0.919 139 1HB ARG 17 1HB ARG 17 3.713 -11.903 -1.402 140 2HB ARG 17 2HB ARG 17 4.625 -10.426 -1.718 141 1HG ARG 17 1HG ARG 17 5.861 -10.741 0.402 142 2HG ARG 17 2HG ARG 17 4.964 -12.232 0.695 143 1HD ARG 17 1HD ARG 17 6.266 -12.073 -1.964 144 2HD ARG 17 2HD ARG 17 7.373 -12.177 -0.580 145 HE ARG 17 HE ARG 17 5.113 -14.105 -0.981 146 1HH1 ARG 17 1HH2 ARG 17 6.427 -14.206 1.665 147 2HH1 ARG 17 2HH2 ARG 17 7.676 -15.384 1.430 148 1HH2 ARG 17 1HH1 ARG 17 7.541 -15.226 -2.031 149 2HH2 ARG 17 2HH1 ARG 17 8.306 -15.962 -0.663 150 H TYR 18 H TYR 18 2.550 -8.294 -1.667 151 HA TYR 18 HA TYR 18 4.578 -6.371 -1.180 152 1HB TYR 18 1HB TYR 18 1.810 -6.385 -2.216 153 2HB TYR 18 2HB TYR 18 2.290 -4.839 -1.537 154 HD1 TYR 18 HD1 TYR 18 2.724 -3.428 -3.334 155 HD2 TYR 18 HD2 TYR 18 4.306 -7.423 -3.371 156 HE1 TYR 18 HE1 TYR 18 3.977 -2.910 -5.406 157 HE2 TYR 18 HE2 TYR 18 5.566 -6.904 -5.443 158 HH TYR 18 HH TYR 18 5.011 -4.841 -7.461 159 H ALA 19 H ALA 19 1.576 -7.000 0.689 160 HA ALA 19 HA ALA 19 2.022 -4.745 2.515 161 1HB ALA 19 1HB ALA 19 0.176 -7.095 2.318 162 2HB ALA 19 2HB ALA 19 -0.204 -5.389 2.556 163 3HB ALA 19 3HB ALA 19 0.377 -6.359 3.910 164 H THR 20 H THR 20 2.810 -8.254 2.580 165 HA THR 20 HA THR 20 3.884 -8.075 5.288 166 HB THR 20 HB THR 20 4.931 -10.355 3.959 167 HG1 THR 20 HG1 THR 20 3.065 -11.157 2.984 168 1HG2 THR 20 1HG2 THR 20 4.083 -10.149 6.303 169 2HG2 THR 20 2HG2 THR 20 3.400 -11.529 5.447 170 3HG2 THR 20 3HG2 THR 20 2.441 -10.065 5.665 171 H ALA 21 H ALA 21 5.282 -7.846 2.014 172 HA ALA 21 HA ALA 21 8.032 -7.861 3.023 173 1HB ALA 21 1HB ALA 21 6.656 -7.214 0.421 174 2HB ALA 21 2HB ALA 21 7.858 -8.460 0.756 175 3HB ALA 21 3HB ALA 21 8.350 -6.771 0.634 176 H LEU 22 H LEU 22 5.494 -5.441 2.943 177 HA LEU 22 HA LEU 22 7.513 -3.243 3.229 178 1HB LEU 22 1HB LEU 22 5.569 -2.950 1.689 179 2HB LEU 22 2HB LEU 22 4.476 -3.203 3.049 180 HG LEU 22 HG LEU 22 6.139 -1.243 4.034 181 1HD1 LEU 22 1HD1 LEU 22 5.848 0.416 1.934 182 2HD1 LEU 22 2HD1 LEU 22 6.091 -1.097 1.062 183 3HD1 LEU 22 3HD1 LEU 22 7.313 -0.529 2.199 184 1HD2 LEU 22 1HD2 LEU 22 3.922 -0.803 4.404 185 2HD2 LEU 22 2HD2 LEU 22 3.437 -1.342 2.796 186 3HD2 LEU 22 3HD2 LEU 22 4.138 0.262 3.014 187 H TYR 23 H TYR 23 4.737 -4.756 4.947 188 HA TYR 23 HA TYR 23 5.319 -3.204 7.348 189 1HB TYR 23 1HB TYR 23 3.206 -3.808 7.847 190 2HB TYR 23 2HB TYR 23 3.131 -4.636 6.304 191 HD1 TYR 23 HD1 TYR 23 4.251 -5.146 9.829 192 HD2 TYR 23 HD2 TYR 23 2.696 -6.919 6.256 193 HE1 TYR 23 HE1 TYR 23 4.013 -7.297 11.021 194 HE2 TYR 23 HE2 TYR 23 2.497 -9.082 7.403 195 HH TYR 23 HH TYR 23 3.946 -10.026 9.860 196 H SER 24 H SER 24 6.684 -6.122 5.946 197 HA SER 24 HA SER 24 7.368 -7.663 8.234 198 1HB SER 24 1HB SER 24 8.131 -8.625 6.263 199 2HB SER 24 2HB SER 24 8.612 -7.077 5.575 200 HG SER 24 HG SER 24 10.368 -8.501 6.234 201 H ALA 25 H ALA 25 8.882 -4.667 6.973 202 HA ALA 25 HA ALA 25 10.868 -4.538 9.144 203 1HB ALA 25 1HB ALA 25 11.546 -3.326 7.246 204 2HB ALA 25 2HB ALA 25 10.833 -2.037 8.215 205 3HB ALA 25 3HB ALA 25 9.910 -2.765 6.902 206 H ALA 26 H ALA 26 7.662 -3.086 8.373 207 HA ALA 26 HA ALA 26 7.375 -1.357 10.625 208 1HB ALA 26 1HB ALA 26 5.801 -1.573 8.684 209 2HB ALA 26 2HB ALA 26 4.960 -1.630 10.232 210 3HB ALA 26 3HB ALA 26 5.254 -3.117 9.334 211 H SER 27 H SER 27 6.813 -4.905 10.400 212 HA SER 27 HA SER 27 5.603 -5.343 12.958 213 1HB SER 27 1HB SER 27 6.080 -6.994 11.030 214 2HB SER 27 2HB SER 27 7.699 -7.149 11.706 215 HG SER 27 HG SER 27 6.530 -8.701 12.699 216 H LYS 28 H LYS 28 9.086 -5.107 12.071 217 HA LYS 28 HA LYS 28 10.082 -5.583 14.762 218 1HB LYS 28 1HB LYS 28 11.401 -5.745 12.607 219 2HB LYS 28 2HB LYS 28 11.364 -3.984 12.513 220 1HG LYS 28 1HG LYS 28 12.267 -4.233 15.029 221 2HG LYS 28 2HG LYS 28 12.880 -5.751 14.374 222 1HD LYS 28 1HD LYS 28 13.966 -4.513 12.528 223 2HD LYS 28 2HD LYS 28 13.373 -2.995 13.206 224 1HE LYS 28 1HE LYS 28 15.469 -3.038 14.199 225 2HE LYS 28 2HE LYS 28 14.585 -3.994 15.405 226 1HZ LYS 28 1HZ LYS 28 15.142 -5.999 14.168 227 2HZ LYS 28 2HZ LYS 28 16.554 -5.181 14.644 228 3HZ LYS 28 3HZ LYS 28 16.013 -5.084 13.036 229 H GLN 29 H GLN 29 9.224 -2.610 12.930 230 HA GLN 29 HA GLN 29 9.951 -0.865 15.194 231 1HB GLN 29 1HB GLN 29 8.743 -0.518 12.458 232 2HB GLN 29 2HB GLN 29 8.705 0.817 13.611 233 1HG GLN 29 1HG GLN 29 11.141 0.714 13.852 234 2HG GLN 29 2HG GLN 29 11.207 -0.671 12.761 235 1HE2 GLN 29 1HE2 GLN 29 12.528 0.572 11.174 236 2HE2 GLN 29 2HE2 GLN 29 11.808 1.787 10.233 237 H ASN 30 H ASN 30 7.231 -2.876 14.643 238 HA ASN 30 HA ASN 30 5.182 -3.024 15.762 239 1HB ASN 30 1HB ASN 30 6.837 -1.978 17.583 240 2HB ASN 30 2HB ASN 30 5.806 -0.565 17.359 241 1HD2 ASN 30 1HD2 ASN 30 5.936 -2.370 19.781 242 2HD2 ASN 30 2HD2 ASN 30 4.360 -2.976 19.966 243 H LYS 31 H LYS 31 5.353 -1.608 13.275 244 HA LYS 31 HA LYS 31 3.493 0.699 13.710 245 1HB LYS 31 1HB LYS 31 5.334 -0.123 11.450 246 2HB LYS 31 2HB LYS 31 4.218 1.237 11.340 247 1HG LYS 31 1HG LYS 31 6.139 1.026 13.647 248 2HG LYS 31 2HG LYS 31 6.667 1.697 12.104 249 1HD LYS 31 1HD LYS 31 4.800 3.330 12.196 250 2HD LYS 31 2HD LYS 31 4.334 2.684 13.770 251 1HE LYS 31 1HE LYS 31 7.130 3.725 13.247 252 2HE LYS 31 2HE LYS 31 5.823 4.777 13.824 253 1HZ LYS 31 1HZ LYS 31 6.963 3.829 15.708 254 2HZ LYS 31 2HZ LYS 31 6.752 2.258 15.099 255 3HZ LYS 31 3HZ LYS 31 5.407 3.161 15.610 256 H LEU 32 H LEU 32 2.952 -2.480 13.366 257 HA LEU 32 HA LEU 32 1.543 -3.053 10.999 258 1HB LEU 32 1HB LEU 32 1.271 -3.797 13.902 259 2HB LEU 32 2HB LEU 32 0.014 -4.326 12.791 260 HG LEU 32 HG LEU 32 1.993 -5.937 13.201 261 1HD1 LEU 32 1HD1 LEU 32 0.261 -5.749 11.217 262 2HD1 LEU 32 2HD1 LEU 32 1.601 -6.886 11.136 263 3HD1 LEU 32 3HD1 LEU 32 1.700 -5.342 10.286 264 1HD2 LEU 32 1HD2 LEU 32 3.828 -4.326 12.996 265 2HD2 LEU 32 2HD2 LEU 32 3.353 -3.962 11.337 266 3HD2 LEU 32 3HD2 LEU 32 3.967 -5.553 11.755 267 H GLU 33 H GLU 33 0.440 -1.095 13.795 268 HA GLU 33 HA GLU 33 -2.271 -0.727 12.722 269 1HB GLU 33 1HB GLU 33 -1.625 -0.525 15.151 270 2HB GLU 33 2HB GLU 33 -0.723 0.937 14.748 271 1HG GLU 33 1HG GLU 33 -2.666 2.144 14.218 272 2HG GLU 33 2HG GLU 33 -3.622 0.682 13.978 273 H GLN 34 H GLN 34 0.778 1.177 12.723 274 HA GLN 34 HA GLN 34 -0.244 3.487 11.332 275 1HB GLN 34 1HB GLN 34 2.512 2.240 11.452 276 2HB GLN 34 2HB GLN 34 2.186 3.830 10.763 277 1HG GLN 34 1HG GLN 34 1.536 3.007 13.611 278 2HG GLN 34 2HG GLN 34 2.931 3.974 13.134 279 1HE2 GLN 34 1HE2 GLN 34 2.420 6.152 12.062 280 2HE2 GLN 34 2HE2 GLN 34 0.964 6.922 12.469 281 H VAL 35 H VAL 35 0.783 0.295 10.121 282 HA VAL 35 HA VAL 35 0.533 1.339 7.334 283 HB VAL 35 HB VAL 35 1.378 -1.469 7.992 284 1HG1 VAL 35 1HG1 VAL 35 2.311 0.597 5.987 285 2HG1 VAL 35 2HG1 VAL 35 1.207 -0.742 5.663 286 3HG1 VAL 35 3HG1 VAL 35 2.889 -1.066 6.082 287 1HG2 VAL 35 1HG2 VAL 35 2.933 -0.649 9.484 288 2HG2 VAL 35 2HG2 VAL 35 2.856 0.984 8.823 289 3HG2 VAL 35 3HG2 VAL 35 3.806 -0.255 8.006 290 H GLU 36 H GLU 36 -0.890 -1.137 9.517 291 HA GLU 36 HA GLU 36 -2.598 -2.289 7.454 292 1HB GLU 36 1HB GLU 36 -1.845 -3.288 9.710 293 2HB GLU 36 2HB GLU 36 -3.132 -2.322 10.429 294 1HG GLU 36 1HG GLU 36 -4.583 -3.417 8.499 295 2HG GLU 36 2HG GLU 36 -3.332 -4.659 8.567 296 H LYS 37 H LYS 37 -2.977 0.525 9.608 297 HA LYS 37 HA LYS 37 -5.886 0.646 9.036 298 1HB LYS 37 1HB LYS 37 -4.613 1.220 11.255 299 2HB LYS 37 2HB LYS 37 -4.283 2.762 10.464 300 1HG LYS 37 1HG LYS 37 -6.627 3.229 10.212 301 2HG LYS 37 2HG LYS 37 -7.065 1.595 10.716 302 1HD LYS 37 1HD LYS 37 -6.231 2.007 12.961 303 2HD LYS 37 2HD LYS 37 -5.617 3.590 12.482 304 1HE LYS 37 1HE LYS 37 -7.687 4.562 12.597 305 2HE LYS 37 2HE LYS 37 -8.498 3.133 11.927 306 1HZ LYS 37 1HZ LYS 37 -7.401 3.410 14.675 307 2HZ LYS 37 2HZ LYS 37 -8.049 1.978 14.032 308 3HZ LYS 37 3HZ LYS 37 -9.042 3.337 14.255 309 H GLU 38 H GLU 38 -2.897 2.401 8.071 310 HA GLU 38 HA GLU 38 -4.427 4.467 6.649 311 1HB GLU 38 1HB GLU 38 -1.558 3.624 6.888 312 2HB GLU 38 2HB GLU 38 -2.024 4.698 5.573 313 1HG GLU 38 1HG GLU 38 -1.384 6.075 7.462 314 2HG GLU 38 2HG GLU 38 -3.130 6.194 7.255 315 H LEU 39 H LEU 39 -2.943 1.324 5.763 316 HA LEU 39 HA LEU 39 -3.183 1.480 2.921 317 1HB LEU 39 1HB LEU 39 -3.002 -0.628 4.980 318 2HB LEU 39 2HB LEU 39 -3.909 -1.137 3.559 319 HG LEU 39 HG LEU 39 -2.031 -0.357 2.121 320 1HD1 LEU 39 1HD1 LEU 39 0.009 0.412 3.033 321 2HD1 LEU 39 2HD1 LEU 39 -0.402 -0.153 4.652 322 3HD1 LEU 39 3HD1 LEU 39 -1.219 1.257 3.977 323 1HD2 LEU 39 1HD2 LEU 39 -2.233 -2.727 2.972 324 2HD2 LEU 39 2HD2 LEU 39 -1.121 -2.295 4.271 325 3HD2 LEU 39 3HD2 LEU 39 -0.581 -2.239 2.593 326 H LEU 40 H LEU 40 -5.676 0.743 5.409 327 HA LEU 40 HA LEU 40 -7.801 -0.042 3.662 328 1HB LEU 40 1HB LEU 40 -7.610 1.289 6.351 329 2HB LEU 40 2HB LEU 40 -9.189 1.158 5.579 330 HG LEU 40 HG LEU 40 -7.345 -1.217 5.885 331 1HD1 LEU 40 1HD1 LEU 40 -8.809 -1.822 7.839 332 2HD1 LEU 40 2HD1 LEU 40 -9.497 -0.200 7.764 333 3HD1 LEU 40 3HD1 LEU 40 -7.786 -0.416 8.131 334 1HD2 LEU 40 1HD2 LEU 40 -9.716 -2.310 5.800 335 2HD2 LEU 40 2HD2 LEU 40 -9.013 -1.705 4.299 336 3HD2 LEU 40 3HD2 LEU 40 -10.231 -0.754 5.149 337 H ARG 41 H ARG 41 -6.574 3.234 4.448 338 HA ARG 41 HA ARG 41 -8.729 4.778 3.376 339 1HB ARG 41 1HB ARG 41 -5.731 5.255 3.480 340 2HB ARG 41 2HB ARG 41 -6.885 6.495 2.990 341 1HG ARG 41 1HG ARG 41 -8.006 6.376 5.145 342 2HG ARG 41 2HG ARG 41 -6.989 5.020 5.637 343 1HD ARG 41 1HD ARG 41 -5.114 6.365 5.955 344 2HD ARG 41 2HD ARG 41 -5.668 7.585 4.791 345 HE ARG 41 HE ARG 41 -7.363 8.289 6.459 346 1HH1 ARG 41 1HH1 ARG 41 -7.564 5.975 8.228 347 2HH1 ARG 41 2HH1 ARG 41 -6.565 6.406 9.575 348 1HH2 ARG 41 1HH2 ARG 41 -4.903 8.931 7.876 349 2HH2 ARG 41 2HH2 ARG 41 -5.058 8.078 9.376 350 H VAL 42 H VAL 42 -5.843 3.392 1.716 351 HA VAL 42 HA VAL 42 -6.428 4.488 -0.885 352 HB VAL 42 HB VAL 42 -5.022 1.911 -0.069 353 1HG1 VAL 42 1HG1 VAL 42 -3.824 2.330 -2.307 354 2HG1 VAL 42 2HG1 VAL 42 -5.155 3.425 -2.685 355 3HG1 VAL 42 3HG1 VAL 42 -5.474 1.714 -2.400 356 1HG2 VAL 42 1HG2 VAL 42 -4.231 4.788 -0.250 357 2HG2 VAL 42 2HG2 VAL 42 -3.038 3.577 -0.718 358 3HG2 VAL 42 3HG2 VAL 42 -3.725 3.557 0.907 359 H GLY 43 H GLY 43 -7.532 1.472 0.723 360 1HA GLY 43 1HA GLY 43 -8.907 0.425 -1.582 361 2HA GLY 43 2HA GLY 43 -9.195 -0.058 0.091 362 H GLN 44 H GLN 44 -9.995 2.366 1.254 363 HA GLN 44 HA GLN 44 -12.764 2.548 0.521 364 1HB GLN 44 1HB GLN 44 -10.875 4.381 2.028 365 2HB GLN 44 2HB GLN 44 -12.588 4.759 1.848 366 1HG GLN 44 1HG GLN 44 -12.992 2.353 2.738 367 2HG GLN 44 2HG GLN 44 -11.319 2.437 3.291 368 1HE2 GLN 44 1HE2 GLN 44 -13.763 2.384 5.034 369 2HE2 GLN 44 2HE2 GLN 44 -13.719 3.829 5.923 370 H ILE 45 H ILE 45 -9.940 4.517 -0.503 371 HA ILE 45 HA ILE 45 -11.450 6.478 -2.015 372 HB ILE 45 HB ILE 45 -8.611 5.398 -2.305 373 1HG1 ILE 45 1HG1 ILE 45 -9.410 8.052 -1.124 374 2HG1 ILE 45 2HG1 ILE 45 -9.475 6.591 -0.138 375 1HG2 ILE 45 1HG2 ILE 45 -9.865 6.834 -4.243 376 2HG2 ILE 45 2HG2 ILE 45 -8.149 7.001 -3.888 377 3HG2 ILE 45 3HG2 ILE 45 -9.304 8.149 -3.215 378 1HD1 ILE 45 1HD1 ILE 45 -7.284 7.026 0.280 379 2HD1 ILE 45 2HD1 ILE 45 -7.135 8.091 -1.119 380 3HD1 ILE 45 3HD1 ILE 45 -7.010 6.343 -1.323 381 H LEU 46 H LEU 46 -9.611 3.580 -3.151 382 HA LEU 46 HA LEU 46 -10.534 3.638 -5.846 383 1HB LEU 46 1HB LEU 46 -9.438 1.586 -3.973 384 2HB LEU 46 2HB LEU 46 -10.194 0.992 -5.454 385 HG LEU 46 HG LEU 46 -8.781 2.608 -6.744 386 1HD1 LEU 46 1HD1 LEU 46 -6.851 3.625 -5.611 387 2HD1 LEU 46 2HD1 LEU 46 -7.377 2.936 -4.076 388 3HD1 LEU 46 3HD1 LEU 46 -8.354 4.170 -4.869 389 1HD2 LEU 46 1HD2 LEU 46 -7.282 0.933 -7.009 390 2HD2 LEU 46 2HD2 LEU 46 -8.118 0.106 -5.699 391 3HD2 LEU 46 3HD2 LEU 46 -6.696 1.092 -5.355 392 H LYS 47 H LYS 47 -12.145 2.333 -2.940 393 HA LYS 47 HA LYS 47 -14.289 1.029 -4.458 394 1HB LYS 47 1HB LYS 47 -13.560 0.403 -2.124 395 2HB LYS 47 2HB LYS 47 -14.222 1.935 -1.553 396 1HG LYS 47 1HG LYS 47 -16.034 0.265 -3.215 397 2HG LYS 47 2HG LYS 47 -15.663 -0.354 -1.606 398 1HD LYS 47 1HD LYS 47 -16.362 2.539 -1.839 399 2HD LYS 47 2HD LYS 47 -17.670 1.367 -2.013 400 1HE LYS 47 1HE LYS 47 -16.808 0.296 0.157 401 2HE LYS 47 2HE LYS 47 -15.837 1.768 0.364 402 1HZ LYS 47 1HZ LYS 47 -17.880 3.071 0.021 403 2HZ LYS 47 2HZ LYS 47 -17.974 2.084 1.400 404 3HZ LYS 47 3HZ LYS 47 -18.781 1.635 -0.025 405 H GLU 48 H GLU 48 -13.768 4.222 -2.922 406 HA GLU 48 HA GLU 48 -16.415 5.227 -3.057 407 1HB GLU 48 1HB GLU 48 -13.655 6.374 -3.084 408 2HB GLU 48 2HB GLU 48 -14.976 7.455 -3.535 409 1HG GLU 48 1HG GLU 48 -16.162 6.787 -1.425 410 2HG GLU 48 2HG GLU 48 -14.724 5.877 -0.959 411 HA PRO 49 HA PRO 49 -17.049 5.472 -7.441 412 1HB PRO 49 1HB PRO 49 -19.090 7.291 -7.519 413 2HB PRO 49 2HB PRO 49 -19.317 5.607 -7.008 414 1HG PRO 49 1HG PRO 49 -19.066 8.068 -5.360 415 2HG PRO 49 2HG PRO 49 -20.091 6.645 -5.118 416 1HD PRO 49 1HD PRO 49 -17.766 7.098 -3.752 417 2HD PRO 49 2HD PRO 49 -18.446 5.482 -4.045 418 H LYS 50 H LYS 50 -16.874 8.572 -5.616 419 HA LYS 50 HA LYS 50 -16.317 10.298 -7.831 420 1HB LYS 50 1HB LYS 50 -16.820 10.877 -5.379 421 2HB LYS 50 2HB LYS 50 -15.112 10.568 -5.063 422 1HG LYS 50 1HG LYS 50 -15.248 12.908 -5.472 423 2HG LYS 50 2HG LYS 50 -14.624 12.216 -6.969 424 1HD LYS 50 1HD LYS 50 -17.232 12.048 -7.534 425 2HD LYS 50 2HD LYS 50 -17.305 13.398 -6.402 426 1HE LYS 50 1HE LYS 50 -15.852 14.738 -7.738 427 2HE LYS 50 2HE LYS 50 -15.345 13.344 -8.713 428 1HZ LYS 50 1HZ LYS 50 -17.114 14.764 -9.751 429 2HZ LYS 50 2HZ LYS 50 -18.164 14.253 -8.516 430 3HZ LYS 50 3HZ LYS 50 -17.514 13.121 -9.604 431 H MET 51 H MET 51 -14.104 8.207 -5.926 432 HA MET 51 HA MET 51 -11.746 9.249 -7.391 433 1HB MET 51 1HB MET 51 -12.060 6.981 -5.409 434 2HB MET 51 2HB MET 51 -10.526 7.647 -5.953 435 1HG MET 51 1HG MET 51 -12.684 9.159 -4.449 436 2HG MET 51 2HG MET 51 -11.170 8.582 -3.764 437 1HE MET 51 1HE MET 51 -8.852 9.155 -4.877 438 2HE MET 51 2HE MET 51 -8.537 10.544 -5.911 439 3HE MET 51 3HE MET 51 -9.377 9.142 -6.565 440 H ALA 52 H ALA 52 -13.788 6.300 -7.397 441 HA ALA 52 HA ALA 52 -12.193 4.582 -8.993 442 1HB ALA 52 1HB ALA 52 -14.666 4.013 -9.924 443 2HB ALA 52 2HB ALA 52 -15.116 5.011 -8.542 444 3HB ALA 52 3HB ALA 52 -14.148 3.556 -8.300 445 H ALA 53 H ALA 53 -14.274 7.311 -10.030 446 HA ALA 53 HA ALA 53 -14.089 6.878 -12.864 447 1HB ALA 53 1HB ALA 53 -14.572 9.241 -11.069 448 2HB ALA 53 2HB ALA 53 -15.670 8.472 -12.214 449 3HB ALA 53 3HB ALA 53 -14.369 9.507 -12.800 450 H SER 54 H SER 54 -11.653 8.124 -10.597 451 HA SER 54 HA SER 54 -10.016 9.183 -12.857 452 1HB SER 54 1HB SER 54 -9.830 9.282 -9.832 453 2HB SER 54 2HB SER 54 -8.542 9.883 -10.873 454 HG SER 54 HG SER 54 -11.210 10.778 -10.617 455 H LEU 55 H LEU 55 -9.727 6.795 -10.165 456 HA LEU 55 HA LEU 55 -7.126 5.817 -10.905 457 1HB LEU 55 1HB LEU 55 -9.453 4.434 -9.527 458 2HB LEU 55 2HB LEU 55 -7.794 3.834 -9.535 459 HG LEU 55 HG LEU 55 -8.123 6.662 -8.703 460 1HD1 LEU 55 1HD1 LEU 55 -8.590 5.530 -6.309 461 2HD1 LEU 55 2HD1 LEU 55 -9.465 4.389 -7.329 462 3HD1 LEU 55 3HD1 LEU 55 -9.892 6.099 -7.352 463 1HD2 LEU 55 1HD2 LEU 55 -6.540 5.707 -6.888 464 2HD2 LEU 55 2HD2 LEU 55 -5.936 5.766 -8.545 465 3HD2 LEU 55 3HD2 LEU 55 -6.518 4.243 -7.871 466 H LEU 56 H LEU 56 -10.356 4.994 -12.197 467 HA LEU 56 HA LEU 56 -9.112 2.829 -13.850 468 1HB LEU 56 1HB LEU 56 -11.095 2.300 -12.497 469 2HB LEU 56 2HB LEU 56 -11.993 3.604 -13.270 470 HG LEU 56 HG LEU 56 -10.783 1.721 -15.185 471 1HD1 LEU 56 1HD1 LEU 56 -13.052 0.743 -13.428 472 2HD1 LEU 56 2HD1 LEU 56 -11.381 0.202 -13.263 473 3HD1 LEU 56 3HD1 LEU 56 -12.274 -0.132 -14.747 474 1HD2 LEU 56 1HD2 LEU 56 -13.712 2.345 -14.891 475 2HD2 LEU 56 2HD2 LEU 56 -12.765 2.124 -16.362 476 3HD2 LEU 56 3HD2 LEU 56 -12.607 3.613 -15.427 477 H ASN 57 H ASN 57 -9.264 6.065 -14.333 478 HA ASN 57 HA ASN 57 -10.467 5.889 -17.062 479 1HB ASN 57 1HB ASN 57 -10.190 7.920 -14.963 480 2HB ASN 57 2HB ASN 57 -9.775 8.531 -16.563 481 1HD2 ASN 57 1HD2 ASN 57 -12.311 6.187 -15.407 482 2HD2 ASN 57 2HD2 ASN 57 -13.588 6.993 -16.184 483 HA PRO 58 HA PRO 58 -6.393 6.132 -18.775 484 1HB PRO 58 1HB PRO 58 -7.031 6.800 -21.341 485 2HB PRO 58 2HB PRO 58 -7.282 5.176 -20.676 486 1HG PRO 58 1HG PRO 58 -9.243 7.304 -21.240 487 2HG PRO 58 2HG PRO 58 -9.447 5.548 -21.232 488 1HD PRO 58 1HD PRO 58 -10.238 7.329 -19.214 489 2HD PRO 58 2HD PRO 58 -10.157 5.560 -19.091 490 H TYR 59 H TYR 59 -8.283 8.883 -18.154 491 HA TYR 59 HA TYR 59 -6.578 10.798 -19.628 492 1HB TYR 59 1HB TYR 59 -8.873 11.207 -17.668 493 2HB TYR 59 2HB TYR 59 -8.174 12.445 -18.709 494 HD1 TYR 59 HD1 TYR 59 -10.318 9.437 -18.586 495 HD2 TYR 59 HD2 TYR 59 -8.539 12.416 -21.134 496 HE1 TYR 59 HE1 TYR 59 -11.824 8.766 -20.433 497 HE2 TYR 59 HE2 TYR 59 -10.051 11.738 -22.977 498 HH TYR 59 HH TYR 59 -12.547 10.512 -22.950 499 H VAL 60 H VAL 60 -7.083 9.600 -16.286 500 HA VAL 60 HA VAL 60 -5.494 11.626 -14.962 501 HB VAL 60 HB VAL 60 -6.008 8.726 -14.201 502 1HG1 VAL 60 1HG1 VAL 60 -5.095 11.139 -12.609 503 2HG1 VAL 60 2HG1 VAL 60 -4.227 9.622 -12.841 504 3HG1 VAL 60 3HG1 VAL 60 -5.697 9.657 -11.867 505 1HG2 VAL 60 1HG2 VAL 60 -8.152 9.589 -14.303 506 2HG2 VAL 60 2HG2 VAL 60 -7.610 11.246 -14.035 507 3HG2 VAL 60 3HG2 VAL 60 -7.710 10.122 -12.680 508 H LYS 61 H LYS 61 -4.490 8.917 -16.985 509 HA LYS 61 HA LYS 61 -2.362 8.113 -17.540 510 1HB LYS 61 1HB LYS 61 -1.606 10.819 -16.385 511 2HB LYS 61 2HB LYS 61 -0.577 9.829 -17.417 512 1HG LYS 61 1HG LYS 61 -3.308 10.397 -18.447 513 2HG LYS 61 2HG LYS 61 -2.192 11.762 -18.393 514 1HD LYS 61 1HD LYS 61 -0.548 9.896 -19.441 515 2HD LYS 61 2HD LYS 61 -2.090 9.297 -20.054 516 1HE LYS 61 1HE LYS 61 -1.648 12.232 -20.299 517 2HE LYS 61 2HE LYS 61 -0.673 11.192 -21.357 518 1HZ LYS 61 1HZ LYS 61 -2.742 9.979 -21.906 519 2HZ LYS 61 2HZ LYS 61 -2.764 11.597 -22.424 520 3HZ LYS 61 3HZ LYS 61 -3.625 11.135 -21.035 521 H ARG 62 H ARG 62 0.010 7.829 -16.447 522 HA ARG 62 HA ARG 62 -0.537 6.823 -13.683 523 1HB ARG 62 1HB ARG 62 0.347 5.340 -15.541 524 2HB ARG 62 2HB ARG 62 1.826 6.301 -15.516 525 1HG ARG 62 1HG ARG 62 2.455 5.530 -13.414 526 2HG ARG 62 2HG ARG 62 0.796 5.159 -12.942 527 1HD ARG 62 1HD ARG 62 1.539 3.002 -13.360 528 2HD ARG 62 2HD ARG 62 1.045 3.435 -15.010 529 HE ARG 62 HE ARG 62 3.828 3.338 -14.014 530 1HH1 ARG 62 1HH1 ARG 62 2.357 2.368 -16.647 531 2HH1 ARG 62 2HH1 ARG 62 3.188 3.357 -17.802 532 1HH2 ARG 62 1HH2 ARG 62 4.575 5.447 -15.408 533 2HH2 ARG 62 2HH2 ARG 62 4.444 5.100 -17.100 534 H SER 63 H SER 63 2.159 8.486 -15.449 535 HA SER 63 HA SER 63 3.669 9.266 -13.168 536 1HB SER 63 1HB SER 63 3.297 10.274 -15.955 537 2HB SER 63 2HB SER 63 4.102 11.357 -14.823 538 HG SER 63 HG SER 63 5.688 9.887 -14.536 539 H VAL 64 H VAL 64 0.862 10.921 -14.680 540 HA VAL 64 HA VAL 64 0.932 13.227 -12.905 541 HB VAL 64 HB VAL 64 -1.372 11.962 -14.446 542 1HG1 VAL 64 1HG1 VAL 64 -2.003 13.617 -12.649 543 2HG1 VAL 64 2HG1 VAL 64 -2.446 14.128 -14.278 544 3HG1 VAL 64 3HG1 VAL 64 -1.028 14.821 -13.491 545 1HG2 VAL 64 1HG2 VAL 64 0.913 13.730 -15.196 546 2HG2 VAL 64 2HG2 VAL 64 -0.656 14.095 -15.915 547 3HG2 VAL 64 3HG2 VAL 64 0.076 12.508 -16.154 548 H LYS 65 H LYS 65 -0.787 10.071 -12.800 549 HA LYS 65 HA LYS 65 -2.335 10.614 -10.428 550 1HB LYS 65 1HB LYS 65 -2.646 8.695 -12.031 551 2HB LYS 65 2HB LYS 65 -1.189 7.958 -11.365 552 1HG LYS 65 1HG LYS 65 -2.987 6.952 -10.175 553 2HG LYS 65 2HG LYS 65 -2.325 8.159 -9.072 554 1HD LYS 65 1HD LYS 65 -4.121 9.707 -10.329 555 2HD LYS 65 2HD LYS 65 -4.924 8.149 -10.531 556 1HE LYS 65 1HE LYS 65 -4.444 7.832 -7.979 557 2HE LYS 65 2HE LYS 65 -4.245 9.596 -7.976 558 1HZ LYS 65 1HZ LYS 65 -6.588 8.088 -9.011 559 2HZ LYS 65 2HZ LYS 65 -6.379 9.768 -9.154 560 3HZ LYS 65 3HZ LYS 65 -6.555 9.059 -7.621 561 H VAL 66 H VAL 66 1.000 9.333 -10.858 562 HA VAL 66 HA VAL 66 1.469 8.640 -8.104 563 HB VAL 66 HB VAL 66 3.401 9.678 -10.218 564 1HG1 VAL 66 1HG1 VAL 66 5.114 8.472 -8.897 565 2HG1 VAL 66 2HG1 VAL 66 3.893 8.071 -7.689 566 3HG1 VAL 66 3HG1 VAL 66 4.359 9.753 -7.947 567 1HG2 VAL 66 1HG2 VAL 66 2.665 7.751 -11.223 568 2HG2 VAL 66 2HG2 VAL 66 2.077 7.064 -9.709 569 3HG2 VAL 66 3HG2 VAL 66 3.795 6.999 -10.099 570 H LYS 67 H LYS 67 1.902 11.756 -9.852 571 HA LYS 67 HA LYS 67 3.035 13.174 -7.585 572 1HB LYS 67 1HB LYS 67 1.612 13.978 -10.133 573 2HB LYS 67 2HB LYS 67 2.096 15.193 -8.949 574 1HG LYS 67 1HG LYS 67 4.335 14.908 -9.364 575 2HG LYS 67 2HG LYS 67 4.157 13.189 -9.716 576 1HD LYS 67 1HD LYS 67 3.136 13.728 -11.892 577 2HD LYS 67 2HD LYS 67 3.290 15.451 -11.543 578 1HE LYS 67 1HE LYS 67 5.658 15.386 -11.669 579 2HE LYS 67 2HE LYS 67 5.700 13.618 -11.514 580 1HZ LYS 67 1HZ LYS 67 4.406 15.081 -13.754 581 2HZ LYS 67 2HZ LYS 67 4.580 13.397 -13.609 582 3HZ LYS 67 3HZ LYS 67 5.947 14.379 -13.838 583 H SER 68 H SER 68 -0.336 12.757 -8.768 584 HA SER 68 HA SER 68 -1.603 14.497 -6.863 585 1HB SER 68 1HB SER 68 -2.788 13.592 -8.799 586 2HB SER 68 2HB SER 68 -2.557 11.946 -8.217 587 HG SER 68 HG SER 68 -4.131 14.023 -7.102 588 H LEU 69 H LEU 69 -0.636 11.040 -6.618 589 HA LEU 69 HA LEU 69 -1.888 10.526 -4.072 590 1HB LEU 69 1HB LEU 69 0.402 9.357 -5.637 591 2HB LEU 69 2HB LEU 69 0.130 8.814 -3.981 592 HG LEU 69 HG LEU 69 -2.166 8.927 -5.920 593 1HD1 LEU 69 1HD1 LEU 69 -1.699 6.596 -6.548 594 2HD1 LEU 69 2HD1 LEU 69 -0.215 6.627 -5.596 595 3HD1 LEU 69 3HD1 LEU 69 -0.365 7.643 -7.030 596 1HD2 LEU 69 1HD2 LEU 69 -3.045 8.364 -3.873 597 2HD2 LEU 69 2HD2 LEU 69 -1.517 7.715 -3.280 598 3HD2 LEU 69 3HD2 LEU 69 -2.524 6.750 -4.358 599 H SER 70 H SER 70 1.488 11.567 -4.847 600 HA SER 70 HA SER 70 2.350 11.822 -2.110 601 1HB SER 70 1HB SER 70 3.185 13.254 -4.657 602 2HB SER 70 2HB SER 70 4.052 13.414 -3.133 603 HG SER 70 HG SER 70 4.755 11.721 -4.696 604 H ASP 71 H ASP 71 0.793 14.191 -4.326 605 HA ASP 71 HA ASP 71 0.817 16.351 -2.355 606 1HB ASP 71 1HB ASP 71 0.574 16.407 -4.963 607 2HB ASP 71 2HB ASP 71 -1.139 16.127 -4.644 608 H MET 72 H MET 72 -1.310 13.582 -2.894 609 HA MET 72 HA MET 72 -3.517 14.778 -1.307 610 1HB MET 72 1HB MET 72 -3.870 13.199 -3.261 611 2HB MET 72 2HB MET 72 -3.107 11.929 -2.304 612 1HG MET 72 1HG MET 72 -4.855 12.465 -0.498 613 2HG MET 72 2HG MET 72 -5.699 13.377 -1.748 614 1HE MET 72 1HE MET 72 -5.014 9.256 -0.752 615 2HE MET 72 2HE MET 72 -3.748 10.461 -0.973 616 3HE MET 72 3HE MET 72 -4.073 9.290 -2.249 617 H THR 73 H THR 73 -1.002 12.233 -1.051 618 HA THR 73 HA THR 73 -1.547 11.300 1.582 619 HB THR 73 HB THR 73 0.857 11.538 -0.222 620 HG1 THR 73 HG1 THR 73 0.624 9.377 -0.273 621 1HG2 THR 73 1HG2 THR 73 2.164 11.768 1.639 622 2HG2 THR 73 2HG2 THR 73 1.955 10.017 1.671 623 3HG2 THR 73 3HG2 THR 73 0.967 11.044 2.710 624 H ALA 74 H ALA 74 0.211 14.251 0.485 625 HA ALA 74 HA ALA 74 1.261 15.082 3.022 626 1HB ALA 74 1HB ALA 74 0.819 17.444 1.895 627 2HB ALA 74 2HB ALA 74 0.389 16.465 0.494 628 3HB ALA 74 3HB ALA 74 2.004 16.344 1.191 629 H LYS 75 H LYS 75 -1.984 15.595 1.563 630 HA LYS 75 HA LYS 75 -2.932 17.096 3.931 631 1HB LYS 75 1HB LYS 75 -3.676 17.467 1.522 632 2HB LYS 75 2HB LYS 75 -4.533 15.929 1.629 633 1HG LYS 75 1HG LYS 75 -5.767 16.813 3.620 634 2HG LYS 75 2HG LYS 75 -4.990 18.375 3.360 635 1HD LYS 75 1HD LYS 75 -5.964 18.468 1.082 636 2HD LYS 75 2HD LYS 75 -6.777 16.932 1.381 637 1HE LYS 75 1HE LYS 75 -8.150 17.883 3.105 638 2HE LYS 75 2HE LYS 75 -7.177 19.367 3.146 639 1HZ LYS 75 1HZ LYS 75 -9.179 19.652 1.792 640 2HZ LYS 75 2HZ LYS 75 -8.692 18.370 0.789 641 3HZ LYS 75 3HZ LYS 75 -7.775 19.798 0.854 642 H GLU 76 H GLU 76 -3.195 13.769 2.616 643 HA GLU 76 HA GLU 76 -5.204 12.849 4.488 644 1HB GLU 76 1HB GLU 76 -4.430 11.774 2.302 645 2HB GLU 76 2HB GLU 76 -3.029 11.185 3.197 646 1HG GLU 76 1HG GLU 76 -4.688 9.437 3.239 647 2HG GLU 76 2HG GLU 76 -4.639 10.149 4.853 648 H LYS 77 H LYS 77 -1.806 13.568 4.994 649 HA LYS 77 HA LYS 77 -0.426 13.256 6.854 650 1HB LYS 77 1HB LYS 77 -3.106 12.694 8.177 651 2HB LYS 77 2HB LYS 77 -1.616 13.124 9.009 652 1HG LYS 77 1HG LYS 77 -1.662 15.204 7.386 653 2HG LYS 77 2HG LYS 77 -3.385 14.835 7.296 654 1HD LYS 77 1HD LYS 77 -3.439 14.840 9.816 655 2HD LYS 77 2HD LYS 77 -1.775 15.425 9.795 656 1HE LYS 77 1HE LYS 77 -2.435 17.440 8.602 657 2HE LYS 77 2HE LYS 77 -4.093 16.833 8.422 658 1HZ LYS 77 1HZ LYS 77 -4.232 16.676 10.852 659 2HZ LYS 77 2HZ LYS 77 -3.961 18.274 10.343 660 3HZ LYS 77 3HZ LYS 77 -2.685 17.357 10.988 661 H PHE 78 H PHE 78 -0.535 11.044 5.140 662 HA PHE 78 HA PHE 78 -1.288 8.545 6.309 663 1HB PHE 78 1HB PHE 78 0.543 9.484 4.172 664 2HB PHE 78 2HB PHE 78 0.962 7.914 4.859 665 HD1 PHE 78 HD1 PHE 78 -1.353 6.515 5.457 666 HD2 PHE 78 HD2 PHE 78 -0.794 9.317 2.249 667 HE1 PHE 78 HE1 PHE 78 -3.235 5.471 4.213 668 HE2 PHE 78 HE2 PHE 78 -2.665 8.266 1.004 669 HZ PHE 78 HZ PHE 78 -3.888 6.342 1.993 670 H SER 79 H SER 79 0.818 6.875 6.744 671 HA SER 79 HA SER 79 2.120 8.083 9.131 672 1HB SER 79 1HB SER 79 2.365 5.221 8.957 673 2HB SER 79 2HB SER 79 1.446 6.163 10.121 674 HG SER 79 HG SER 79 0.124 4.750 8.910 675 HA PRO 80 HA PRO 80 6.111 7.403 7.456 676 1HB PRO 80 1HB PRO 80 7.478 5.736 9.122 677 2HB PRO 80 2HB PRO 80 7.107 7.425 9.512 678 1HG PRO 80 1HG PRO 80 5.766 4.936 10.425 679 2HG PRO 80 2HG PRO 80 6.121 6.422 11.320 680 1HD PRO 80 1HD PRO 80 3.672 5.818 10.321 681 2HD PRO 80 2HD PRO 80 4.242 7.482 10.564 682 H LEU 81 H LEU 81 4.100 4.561 7.778 683 HA LEU 81 HA LEU 81 5.931 3.078 5.933 684 1HB LEU 81 1HB LEU 81 4.118 2.371 8.189 685 2HB LEU 81 2HB LEU 81 4.132 1.256 6.813 686 HG LEU 81 HG LEU 81 6.816 2.171 7.666 687 1HD1 LEU 81 1HD1 LEU 81 5.215 0.304 9.435 688 2HD1 LEU 81 2HD1 LEU 81 5.658 1.957 9.857 689 3HD1 LEU 81 3HD1 LEU 81 6.912 0.735 9.636 690 1HD2 LEU 81 1HD2 LEU 81 5.470 -0.419 6.889 691 2HD2 LEU 81 2HD2 LEU 81 7.114 -0.397 7.525 692 3HD2 LEU 81 3HD2 LEU 81 6.735 0.460 6.030 693 H THR 82 H THR 82 3.559 5.208 5.456 694 HA THR 82 HA THR 82 2.152 3.452 3.500 695 HB THR 82 HB THR 82 0.751 5.784 4.757 696 HG1 THR 82 HG1 THR 82 0.365 4.591 6.589 697 1HG2 THR 82 1HG2 THR 82 0.169 3.307 3.304 698 2HG2 THR 82 2HG2 THR 82 -0.860 4.706 3.581 699 3HG2 THR 82 3HG2 THR 82 -0.768 3.429 4.791 700 H SER 83 H SER 83 4.412 5.815 3.411 701 HA SER 83 HA SER 83 3.081 7.177 1.100 702 1HB SER 83 1HB SER 83 3.567 8.748 2.911 703 2HB SER 83 2HB SER 83 5.201 8.114 3.078 704 HG SER 83 HG SER 83 5.219 10.011 1.851 705 H ASN 84 H ASN 84 4.351 4.625 1.008 706 HA ASN 84 HA ASN 84 6.520 5.155 -0.969 707 1HB ASN 84 1HB ASN 84 7.046 4.400 1.658 708 2HB ASN 84 2HB ASN 84 6.985 2.848 0.823 709 1HD2 ASN 84 1HD2 ASN 84 9.410 4.393 1.905 710 2HD2 ASN 84 2HD2 ASN 84 10.438 4.544 0.563 711 H LEU 85 H LEU 85 4.848 2.475 0.779 712 HA LEU 85 HA LEU 85 4.485 0.748 -1.484 713 1HB LEU 85 1HB LEU 85 4.124 -0.001 0.831 714 2HB LEU 85 2HB LEU 85 2.843 1.188 1.055 715 HG LEU 85 HG LEU 85 1.518 0.050 -0.727 716 1HD1 LEU 85 1HD1 LEU 85 2.263 -2.196 -1.475 717 2HD1 LEU 85 2HD1 LEU 85 3.777 -1.972 -0.599 718 3HD1 LEU 85 3HD1 LEU 85 3.392 -0.937 -1.974 719 1HD2 LEU 85 1HD2 LEU 85 1.524 -0.564 1.815 720 2HD2 LEU 85 2HD2 LEU 85 2.333 -2.039 1.287 721 3HD2 LEU 85 3HD2 LEU 85 0.720 -1.654 0.685 722 H ILE 86 H ILE 86 2.754 3.719 -0.415 723 HA ILE 86 HA ILE 86 0.371 3.383 -1.958 724 HB ILE 86 HB ILE 86 0.804 5.143 -0.214 725 1HG1 ILE 86 1HG1 ILE 86 0.095 6.773 -2.578 726 2HG1 ILE 86 2HG1 ILE 86 -0.817 5.273 -2.415 727 1HG2 ILE 86 1HG2 ILE 86 2.284 6.625 -2.400 728 2HG2 ILE 86 2HG2 ILE 86 3.110 5.725 -1.129 729 3HG2 ILE 86 3HG2 ILE 86 2.089 7.102 -0.714 730 1HD1 ILE 86 1HD1 ILE 86 -0.444 6.940 0.032 731 2HD1 ILE 86 2HD1 ILE 86 -1.810 5.927 -0.442 732 3HD1 ILE 86 3HD1 ILE 86 -1.588 7.512 -1.185 733 H ASN 87 H ASN 87 3.611 4.597 -2.911 734 HA ASN 87 HA ASN 87 2.810 5.432 -5.580 735 1HB ASN 87 1HB ASN 87 5.417 4.697 -4.232 736 2HB ASN 87 2HB ASN 87 5.373 5.046 -5.961 737 1HD2 ASN 87 1HD2 ASN 87 6.171 7.189 -6.168 738 2HD2 ASN 87 2HD2 ASN 87 5.614 8.498 -5.242 739 H LEU 88 H LEU 88 4.328 2.413 -4.323 740 HA LEU 88 HA LEU 88 4.518 0.936 -6.733 741 1HB LEU 88 1HB LEU 88 4.197 0.322 -3.837 742 2HB LEU 88 2HB LEU 88 3.791 -0.989 -4.943 743 HG LEU 88 HG LEU 88 6.316 0.514 -5.463 744 1HD1 LEU 88 1HD1 LEU 88 5.848 -1.380 -3.156 745 2HD1 LEU 88 2HD1 LEU 88 6.630 0.200 -3.129 746 3HD1 LEU 88 3HD1 LEU 88 7.444 -1.175 -3.877 747 1HD2 LEU 88 1HD2 LEU 88 5.144 -1.583 -6.667 748 2HD2 LEU 88 2HD2 LEU 88 6.055 -2.459 -5.438 749 3HD2 LEU 88 3HD2 LEU 88 6.897 -1.417 -6.584 750 H LEU 89 H LEU 89 1.654 1.372 -4.596 751 HA LEU 89 HA LEU 89 -0.103 -0.409 -6.029 752 1HB LEU 89 1HB LEU 89 -0.402 1.939 -4.183 753 2HB LEU 89 2HB LEU 89 -1.834 1.380 -5.049 754 HG LEU 89 HG LEU 89 -0.033 -0.463 -3.460 755 1HD1 LEU 89 1HD1 LEU 89 -1.421 1.481 -2.253 756 2HD1 LEU 89 2HD1 LEU 89 -1.333 -0.143 -1.571 757 3HD1 LEU 89 3HD1 LEU 89 -2.750 0.347 -2.498 758 1HD2 LEU 89 1HD2 LEU 89 -2.200 -1.843 -3.567 759 2HD2 LEU 89 2HD2 LEU 89 -1.297 -1.677 -5.074 760 3HD2 LEU 89 3HD2 LEU 89 -2.736 -0.697 -4.796 761 H ALA 90 H ALA 90 0.718 3.049 -6.530 762 HA ALA 90 HA ALA 90 -0.930 2.999 -9.033 763 1HB ALA 90 1HB ALA 90 -0.467 5.555 -8.769 764 2HB ALA 90 2HB ALA 90 0.061 5.128 -7.141 765 3HB ALA 90 3HB ALA 90 -1.595 4.794 -7.647 766 H GLU 91 H GLU 91 1.873 1.794 -8.717 767 HA GLU 91 HA GLU 91 3.443 3.689 -10.430 768 1HB GLU 91 1HB GLU 91 4.464 2.831 -8.341 769 2HB GLU 91 2HB GLU 91 4.245 1.179 -8.915 770 1HG GLU 91 1HG GLU 91 5.903 1.378 -10.533 771 2HG GLU 91 2HG GLU 91 5.717 3.128 -10.653 772 H ASN 92 H ASN 92 2.510 0.185 -10.290 773 HA ASN 92 HA ASN 92 3.051 0.073 -13.243 774 1HB ASN 92 1HB ASN 92 3.326 -1.838 -10.944 775 2HB ASN 92 2HB ASN 92 3.099 -2.478 -12.573 776 1HD2 ASN 92 1HD2 ASN 92 5.507 -1.421 -10.398 777 2HD2 ASN 92 2HD2 ASN 92 6.741 -1.148 -11.530 778 H GLY 93 H GLY 93 0.419 0.919 -11.879 779 1HA GLY 93 1HA GLY 93 -1.827 0.609 -12.497 780 2HA GLY 93 2HA GLY 93 -1.321 -0.736 -13.522 781 H ARG 94 H ARG 94 -0.873 -0.219 -9.985 782 HA ARG 94 HA ARG 94 -2.067 -2.930 -9.595 783 1HB ARG 94 1HB ARG 94 -0.298 -1.173 -7.867 784 2HB ARG 94 2HB ARG 94 -0.891 -2.761 -7.381 785 1HG ARG 94 1HG ARG 94 0.636 -2.347 -9.955 786 2HG ARG 94 2HG ARG 94 1.454 -2.683 -8.428 787 1HD ARG 94 1HD ARG 94 0.537 -4.842 -8.263 788 2HD ARG 94 2HD ARG 94 -0.804 -4.458 -9.361 789 HE ARG 94 HE ARG 94 2.043 -4.666 -10.274 790 1HH1 ARG 94 1HH1 ARG 94 -0.845 -3.678 -11.486 791 2HH1 ARG 94 2HH1 ARG 94 -0.963 -4.861 -12.745 792 1HH2 ARG 94 1HH2 ARG 94 1.683 -6.766 -11.565 793 2HH2 ARG 94 2HH2 ARG 94 0.468 -6.610 -12.789 794 H LEU 95 H LEU 95 -3.790 -0.501 -10.006 795 HA LEU 95 HA LEU 95 -4.987 -0.243 -7.265 796 1HB LEU 95 1HB LEU 95 -5.116 1.415 -9.807 797 2HB LEU 95 2HB LEU 95 -6.163 1.726 -8.423 798 HG LEU 95 HG LEU 95 -3.167 1.540 -8.106 799 1HD1 LEU 95 1HD1 LEU 95 -4.232 3.364 -9.796 800 2HD1 LEU 95 2HD1 LEU 95 -2.837 3.708 -8.773 801 3HD1 LEU 95 3HD1 LEU 95 -4.448 4.219 -8.268 802 1HD2 LEU 95 1HD2 LEU 95 -4.918 1.494 -6.177 803 2HD2 LEU 95 2HD2 LEU 95 -5.128 3.208 -6.533 804 3HD2 LEU 95 3HD2 LEU 95 -3.551 2.599 -6.033 805 H THR 96 H THR 96 -5.329 -2.614 -9.065 806 HA THR 96 HA THR 96 -8.268 -2.420 -9.633 807 HB THR 96 HB THR 96 -7.803 -4.330 -11.162 808 HG1 THR 96 HG1 THR 96 -5.726 -5.069 -11.379 809 1HG2 THR 96 1HG2 THR 96 -7.635 -2.241 -12.251 810 2HG2 THR 96 2HG2 THR 96 -6.137 -3.066 -12.681 811 3HG2 THR 96 3HG2 THR 96 -6.135 -1.832 -11.421 812 H ASN 97 H ASN 97 -5.709 -4.723 -8.511 813 HA ASN 97 HA ASN 97 -7.741 -6.046 -6.765 814 1HB ASN 97 1HB ASN 97 -4.953 -6.825 -7.699 815 2HB ASN 97 2HB ASN 97 -5.978 -7.828 -6.670 816 1HD2 ASN 97 1HD2 ASN 97 -5.339 -6.914 -9.982 817 2HD2 ASN 97 2HD2 ASN 97 -6.627 -7.776 -10.674 818 H THR 98 H THR 98 -6.538 -3.357 -6.087 819 HA THR 98 HA THR 98 -4.383 -3.684 -4.244 820 HB THR 98 HB THR 98 -5.184 -1.542 -5.293 821 HG1 THR 98 HG1 THR 98 -4.504 -0.368 -3.563 822 1HG2 THR 98 1HG2 THR 98 -7.553 -1.635 -4.910 823 2HG2 THR 98 2HG2 THR 98 -6.927 -0.294 -3.951 824 3HG2 THR 98 3HG2 THR 98 -7.324 -1.822 -3.172 825 HA PRO 99 HA PRO 99 -7.747 -3.984 -0.769 826 1HB PRO 99 1HB PRO 99 -9.860 -5.636 -1.373 827 2HB PRO 99 2HB PRO 99 -9.932 -3.866 -1.507 828 1HG PRO 99 1HG PRO 99 -9.418 -5.900 -3.635 829 2HG PRO 99 2HG PRO 99 -10.479 -4.479 -3.671 830 1HD PRO 99 1HD PRO 99 -8.099 -4.421 -4.825 831 2HD PRO 99 2HD PRO 99 -8.715 -3.006 -3.965 832 H ALA 100 H ALA 100 -7.338 -6.662 -3.138 833 HA ALA 100 HA ALA 100 -7.151 -8.816 -1.241 834 1HB ALA 100 1HB ALA 100 -7.192 -8.770 -3.872 835 2HB ALA 100 2HB ALA 100 -6.308 -10.059 -3.056 836 3HB ALA 100 3HB ALA 100 -5.437 -8.676 -3.720 837 H VAL 101 H VAL 101 -4.717 -6.421 -2.335 838 HA VAL 101 HA VAL 101 -2.429 -7.681 -1.082 839 HB VAL 101 HB VAL 101 -2.980 -4.747 -1.675 840 1HG1 VAL 101 1HG1 VAL 101 -1.036 -4.562 -0.480 841 2HG1 VAL 101 2HG1 VAL 101 -0.308 -5.081 -2.001 842 3HG1 VAL 101 3HG1 VAL 101 -0.608 -6.256 -0.719 843 1HG2 VAL 101 1HG2 VAL 101 -2.475 -5.142 -3.865 844 2HG2 VAL 101 2HG2 VAL 101 -2.945 -6.800 -3.492 845 3HG2 VAL 101 3HG2 VAL 101 -1.243 -6.341 -3.467 846 H ILE 102 H ILE 102 -4.878 -5.346 0.115 847 HA ILE 102 HA ILE 102 -3.504 -4.942 2.676 848 HB ILE 102 HB ILE 102 -6.363 -4.370 1.800 849 1HG1 ILE 102 1HG1 ILE 102 -4.077 -2.407 2.027 850 2HG1 ILE 102 2HG1 ILE 102 -4.379 -3.292 0.533 851 1HG2 ILE 102 1HG2 ILE 102 -6.052 -4.416 4.268 852 2HG2 ILE 102 2HG2 ILE 102 -6.400 -2.792 3.677 853 3HG2 ILE 102 3HG2 ILE 102 -4.749 -3.238 4.109 854 1HD1 ILE 102 1HD1 ILE 102 -5.492 -1.010 0.685 855 2HD1 ILE 102 2HD1 ILE 102 -6.519 -1.688 1.948 856 3HD1 ILE 102 3HD1 ILE 102 -6.573 -2.353 0.315 857 H SER 103 H SER 103 -6.133 -7.099 1.512 858 HA SER 103 HA SER 103 -7.060 -8.049 4.046 859 1HB SER 103 1HB SER 103 -7.875 -8.518 1.601 860 2HB SER 103 2HB SER 103 -6.720 -9.847 1.639 861 HG SER 103 HG SER 103 -8.998 -9.398 3.251 862 H ALA 104 H ALA 104 -4.371 -9.281 1.987 863 HA ALA 104 HA ALA 104 -3.562 -11.445 3.689 864 1HB ALA 104 1HB ALA 104 -1.550 -9.734 2.241 865 2HB ALA 104 2HB ALA 104 -2.755 -10.618 1.306 866 3HB ALA 104 3HB ALA 104 -1.634 -11.492 2.350 867 H PHE 105 H PHE 105 -2.874 -7.940 3.894 868 HA PHE 105 HA PHE 105 -0.782 -7.971 5.837 869 1HB PHE 105 1HB PHE 105 -1.901 -6.026 4.505 870 2HB PHE 105 2HB PHE 105 -3.057 -5.974 5.833 871 HD1 PHE 105 HD1 PHE 105 -0.091 -4.595 4.654 872 HD2 PHE 105 HD2 PHE 105 -1.837 -6.097 8.274 873 HE1 PHE 105 HE1 PHE 105 1.509 -3.258 5.986 874 HE2 PHE 105 HE2 PHE 105 -0.245 -4.759 9.595 875 HZ PHE 105 HZ PHE 105 1.428 -3.350 8.456 876 H SER 106 H SER 106 -4.355 -7.946 6.325 877 HA SER 106 HA SER 106 -4.208 -7.952 9.219 878 1HB SER 106 1HB SER 106 -6.285 -7.327 8.265 879 2HB SER 106 2HB SER 106 -6.299 -8.707 7.171 880 HG SER 106 HG SER 106 -7.682 -9.197 8.820 881 H THR 107 H THR 107 -4.298 -10.614 6.811 882 HA THR 107 HA THR 107 -4.489 -12.687 8.874 883 HB THR 107 HB THR 107 -3.349 -13.353 6.208 884 HG1 THR 107 HG1 THR 107 -5.139 -12.765 5.101 885 1HG2 THR 107 1HG2 THR 107 -5.655 -14.316 7.915 886 2HG2 THR 107 2HG2 THR 107 -4.123 -15.137 7.614 887 3HG2 THR 107 3HG2 THR 107 -5.303 -14.968 6.315 888 H MET 108 H MET 108 -1.786 -11.151 7.063 889 HA MET 108 HA MET 108 0.182 -13.001 8.213 890 1HB MET 108 1HB MET 108 0.200 -10.540 6.510 891 2HB MET 108 2HB MET 108 1.686 -10.941 7.372 892 1HG MET 108 1HG MET 108 0.166 -12.937 5.677 893 2HG MET 108 2HG MET 108 1.502 -11.968 5.061 894 1HE MET 108 1HE MET 108 0.600 -14.995 5.619 895 2HE MET 108 2HE MET 108 1.888 -15.951 6.347 896 3HE MET 108 3HE MET 108 2.166 -15.137 4.810 897 H MET 109 H MET 109 -1.179 -9.810 9.096 898 HA MET 109 HA MET 109 0.726 -9.077 11.122 899 1HB MET 109 1HB MET 109 -1.096 -7.605 10.290 900 2HB MET 109 2HB MET 109 -2.298 -8.668 11.021 901 1HG MET 109 1HG MET 109 -1.498 -8.165 13.242 902 2HG MET 109 2HG MET 109 -0.110 -7.288 12.599 903 1HE MET 109 1HE MET 109 -4.131 -5.925 13.701 904 2HE MET 109 2HE MET 109 -2.689 -5.920 14.713 905 3HE MET 109 3HE MET 109 -3.237 -7.426 13.978 906 H SER 110 H SER 110 -2.146 -11.284 11.264 907 HA SER 110 HA SER 110 -2.097 -11.759 14.094 908 1HB SER 110 1HB SER 110 -2.840 -13.483 11.715 909 2HB SER 110 2HB SER 110 -3.039 -14.054 13.369 910 HG SER 110 HG SER 110 -4.276 -11.882 12.054 911 H VAL 111 H VAL 111 0.031 -13.055 11.534 912 HA VAL 111 HA VAL 111 1.255 -15.037 13.329 913 HB VAL 111 HB VAL 111 2.148 -13.925 10.643 914 1HG1 VAL 111 1HG1 VAL 111 3.009 -16.329 12.272 915 2HG1 VAL 111 2HG1 VAL 111 4.018 -15.006 11.688 916 3HG1 VAL 111 3HG1 VAL 111 3.347 -16.173 10.548 917 1HG2 VAL 111 1HG2 VAL 111 0.793 -16.573 11.145 918 2HG2 VAL 111 2HG2 VAL 111 0.942 -15.684 9.630 919 3HG2 VAL 111 3HG2 VAL 111 -0.157 -15.111 10.884 920 H HIS 112 H HIS 112 1.657 -11.594 13.003 921 HA HIS 112 HA HIS 112 4.488 -11.652 13.803 922 1HB HIS 112 1HB HIS 112 4.477 -9.533 12.955 923 2HB HIS 112 2HB HIS 112 2.916 -9.977 12.286 924 HD1 HIS 112 HD1 HIS 112 0.853 -9.483 14.211 925 HD2 HIS 112 HD2 HIS 112 4.323 -7.259 14.358 926 HE1 HIS 112 HE1 HIS 112 0.307 -7.438 15.580 927 H ARG 113 H ARG 113 1.297 -11.439 15.342 928 HA ARG 113 HA ARG 113 2.526 -10.456 17.874 929 1HB ARG 113 1HB ARG 113 0.166 -9.913 16.612 930 2HB ARG 113 2HB ARG 113 -0.352 -11.167 17.740 931 1HG ARG 113 1HG ARG 113 0.194 -9.901 19.613 932 2HG ARG 113 2HG ARG 113 1.394 -8.944 18.743 933 1HD ARG 113 1HD ARG 113 -0.162 -7.432 18.012 934 2HD ARG 113 2HD ARG 113 -1.392 -8.684 17.747 935 HE ARG 113 HE ARG 113 -1.709 -8.727 20.238 936 1HH1 ARG 113 1HH2 ARG 113 -1.537 -5.877 18.572 937 2HH1 ARG 113 2HH2 ARG 113 -1.204 -4.865 19.937 938 1HH2 ARG 113 1HH1 ARG 113 -0.645 -7.517 22.101 939 2HH2 ARG 113 2HH1 ARG 113 -0.699 -5.793 21.935 940 H GLY 114 H GLY 114 1.101 -13.442 16.486 941 1HA GLY 114 1HA GLY 114 0.570 -14.879 18.844 942 2HA GLY 114 2HA GLY 114 1.079 -15.621 17.330 943 H GLU 115 H GLU 115 3.577 -15.457 16.914 944 HA GLU 115 HA GLU 115 5.050 -15.649 19.520 945 1HB GLU 115 1HB GLU 115 6.186 -17.645 18.553 946 2HB GLU 115 2HB GLU 115 4.445 -17.881 18.700 947 1HG GLU 115 1HG GLU 115 4.119 -17.910 16.433 948 2HG GLU 115 2HG GLU 115 5.385 -16.722 16.131 949 H VAL 116 H VAL 116 5.170 -13.283 18.001 950 HA VAL 116 HA VAL 116 7.996 -13.371 17.064 951 HB VAL 116 HB VAL 116 5.641 -12.299 15.467 952 1HG1 VAL 116 1HG1 VAL 116 7.678 -12.302 13.727 953 2HG1 VAL 116 2HG1 VAL 116 8.605 -12.055 15.207 954 3HG1 VAL 116 3HG1 VAL 116 7.340 -10.911 14.757 955 1HG2 VAL 116 1HG2 VAL 116 6.455 -14.099 13.840 956 2HG2 VAL 116 2HG2 VAL 116 5.650 -14.686 15.295 957 3HG2 VAL 116 3HG2 VAL 116 7.408 -14.740 15.178 958 HA PRO 117 HA PRO 117 6.513 -9.529 19.395 959 1HB PRO 117 1HB PRO 117 7.810 -9.933 21.769 960 2HB PRO 117 2HB PRO 117 6.160 -10.510 21.461 961 1HG PRO 117 1HG PRO 117 8.726 -12.009 21.421 962 2HG PRO 117 2HG PRO 117 7.128 -12.519 21.985 963 1HD PRO 117 1HD PRO 117 8.206 -13.251 19.578 964 2HD PRO 117 2HD PRO 117 6.461 -13.170 19.903 965 H CYS 118 H CYS 118 7.840 -7.692 19.130 966 HA CYS 118 HA CYS 118 10.797 -8.036 19.338 967 1HB CYS 118 1HB CYS 118 9.184 -7.116 16.945 968 2HB CYS 118 2HB CYS 118 10.907 -6.776 17.109 969 HG CYS 118 HG CYS 118 10.689 -9.670 17.534 970 H THR 119 H THR 119 11.252 -6.468 20.917 971 HA THR 119 HA THR 119 9.978 -3.770 20.560 972 HB THR 119 HB THR 119 10.332 -3.690 23.103 973 HG1 THR 119 HG1 THR 119 11.719 -5.347 23.425 974 1HG2 THR 119 1HG2 THR 119 8.209 -4.532 23.435 975 2HG2 THR 119 2HG2 THR 119 8.513 -5.968 22.457 976 3HG2 THR 119 3HG2 THR 119 8.203 -4.418 21.674 977 H VAL 120 H VAL 120 11.833 -2.968 19.298 978 HA VAL 120 HA VAL 120 14.271 -2.524 20.981 979 HB VAL 120 HB VAL 120 14.135 -3.375 18.065 980 1HG1 VAL 120 1HG1 VAL 120 16.655 -3.610 18.421 981 2HG1 VAL 120 2HG1 VAL 120 16.439 -2.669 19.897 982 3HG1 VAL 120 3HG1 VAL 120 16.045 -1.958 18.333 983 1HG2 VAL 120 1HG2 VAL 120 15.013 -4.828 20.581 984 2HG2 VAL 120 2HG2 VAL 120 15.290 -5.426 18.945 985 3HG2 VAL 120 3HG2 VAL 120 13.644 -5.240 19.549 986 1H GLN 1 1H GLN 1 4.586 -10.887 -20.779 987 2H GLN 1 2H GLN 1 3.290 -10.867 -21.878 988 3H GLN 1 3H GLN 1 3.186 -11.787 -20.453 989 HA GLN 1 HA GLN 1 3.337 -8.815 -20.576 990 1HB GLN 1 1HB GLN 1 1.275 -10.388 -21.312 991 2HB GLN 1 2HB GLN 1 0.997 -10.364 -19.570 992 1HG GLN 1 1HG GLN 1 1.609 -7.753 -20.865 993 2HG GLN 1 2HG GLN 1 0.027 -8.459 -21.201 994 1HE2 GLN 1 1HE2 GLN 1 1.925 -6.805 -18.765 995 2HE2 GLN 1 2HE2 GLN 1 0.749 -6.857 -17.542 996 H LYS 2 H LYS 2 5.074 -8.951 -18.878 997 HA LYS 2 HA LYS 2 5.815 -9.045 -16.640 998 1HB LYS 2 1HB LYS 2 3.802 -7.496 -16.620 999 2HB LYS 2 2HB LYS 2 2.842 -8.872 -16.077 1000 1HG LYS 2 1HG LYS 2 3.429 -8.003 -14.022 1001 2HG LYS 2 2HG LYS 2 4.813 -9.065 -14.286 1002 1HD LYS 2 1HD LYS 2 5.783 -6.992 -13.682 1003 2HD LYS 2 2HD LYS 2 5.914 -7.035 -15.439 1004 1HE LYS 2 1HE LYS 2 3.447 -5.898 -15.161 1005 2HE LYS 2 2HE LYS 2 4.277 -5.261 -13.726 1006 1HZ LYS 2 1HZ LYS 2 6.191 -4.753 -15.210 1007 2HZ LYS 2 2HZ LYS 2 4.801 -3.835 -15.546 1008 3HZ LYS 2 3HZ LYS 2 5.217 -5.148 -16.541 1009 H THR 3 H THR 3 6.486 -11.362 -16.814 1010 HA THR 3 HA THR 3 4.747 -13.127 -15.138 1011 HB THR 3 HB THR 3 6.129 -13.934 -17.716 1012 HG1 THR 3 HG1 THR 3 4.185 -13.698 -18.683 1013 1HG2 THR 3 1HG2 THR 3 5.826 -15.910 -16.550 1014 2HG2 THR 3 2HG2 THR 3 4.267 -15.788 -17.366 1015 3HG2 THR 3 3HG2 THR 3 4.419 -15.302 -15.677 1016 H GLY 4 H GLY 4 6.500 -12.470 -13.503 1017 1HA GLY 4 1HA GLY 4 8.216 -14.183 -12.556 1018 2HA GLY 4 2HA GLY 4 9.108 -13.820 -14.035 1019 H THR 5 H THR 5 8.383 -12.718 -10.813 1020 HA THR 5 HA THR 5 9.906 -10.186 -11.349 1021 HB THR 5 HB THR 5 8.646 -9.391 -9.309 1022 HG1 THR 5 HG1 THR 5 7.111 -10.681 -8.459 1023 1HG2 THR 5 1HG2 THR 5 6.540 -9.075 -10.478 1024 2HG2 THR 5 2HG2 THR 5 6.878 -10.447 -11.531 1025 3HG2 THR 5 3HG2 THR 5 7.856 -8.984 -11.649 1026 H ALA 6 H ALA 6 10.781 -9.467 -8.890 1027 HA ALA 6 HA ALA 6 12.166 -11.879 -7.760 1028 1HB ALA 6 1HB ALA 6 13.295 -9.962 -9.363 1029 2HB ALA 6 2HB ALA 6 14.192 -10.904 -8.172 1030 3HB ALA 6 3HB ALA 6 13.604 -9.293 -7.760 1031 H GLU 7 H GLU 7 9.757 -10.587 -6.662 1032 HA GLU 7 HA GLU 7 8.964 -9.720 -4.621 1033 1HB GLU 7 1HB GLU 7 11.775 -10.504 -3.764 1034 2HB GLU 7 2HB GLU 7 10.408 -10.231 -2.685 1035 1HG GLU 7 1HG GLU 7 9.238 -12.131 -3.513 1036 2HG GLU 7 2HG GLU 7 10.308 -12.276 -4.908 1037 H VAL 8 H VAL 8 9.622 -7.706 -6.322 1038 HA VAL 8 HA VAL 8 11.693 -5.888 -5.567 1039 HB VAL 8 HB VAL 8 8.902 -5.304 -6.634 1040 1HG1 VAL 8 1HG1 VAL 8 9.776 -3.192 -7.385 1041 2HG1 VAL 8 2HG1 VAL 8 11.417 -3.636 -6.911 1042 3HG1 VAL 8 3HG1 VAL 8 10.194 -3.334 -5.677 1043 1HG2 VAL 8 1HG2 VAL 8 9.780 -6.604 -8.316 1044 2HG2 VAL 8 2HG2 VAL 8 11.446 -6.296 -7.825 1045 3HG2 VAL 8 3HG2 VAL 8 10.563 -5.084 -8.754 1046 H SER 9 H SER 9 8.351 -6.199 -4.282 1047 HA SER 9 HA SER 9 8.427 -3.955 -2.488 1048 1HB SER 9 1HB SER 9 6.568 -5.044 -1.394 1049 2HB SER 9 2HB SER 9 6.448 -5.455 -3.102 1050 HG SER 9 HG SER 9 7.183 -7.463 -2.677 1051 H SER 10 H SER 10 9.604 -7.324 -2.097 1052 HA SER 10 HA SER 10 10.363 -7.061 0.693 1053 1HB SER 10 1HB SER 10 10.112 -9.232 -0.452 1054 2HB SER 10 2HB SER 10 11.424 -8.820 -1.554 1055 HG SER 10 HG SER 10 11.510 -9.352 1.223 1056 H ILE 11 H ILE 11 12.260 -6.746 -2.362 1057 HA ILE 11 HA ILE 11 14.744 -6.014 -1.098 1058 HB ILE 11 HB ILE 11 13.595 -5.292 -3.826 1059 1HG1 ILE 11 1HG1 ILE 11 15.709 -7.358 -3.407 1060 2HG1 ILE 11 2HG1 ILE 11 14.066 -7.779 -2.924 1061 1HG2 ILE 11 1HG2 ILE 11 15.415 -3.811 -3.523 1062 2HG2 ILE 11 2HG2 ILE 11 16.120 -5.180 -4.382 1063 3HG2 ILE 11 3HG2 ILE 11 16.359 -5.014 -2.643 1064 1HD1 ILE 11 1HD1 ILE 11 15.000 -6.883 -5.662 1065 2HD1 ILE 11 2HD1 ILE 11 13.300 -7.013 -5.212 1066 3HD1 ILE 11 3HD1 ILE 11 14.321 -8.450 -5.222 1067 H LEU 12 H LEU 12 11.931 -4.037 -2.144 1068 HA LEU 12 HA LEU 12 13.080 -1.447 -1.729 1069 1HB LEU 12 1HB LEU 12 10.783 -2.170 -2.717 1070 2HB LEU 12 2HB LEU 12 10.218 -2.141 -1.047 1071 HG LEU 12 HG LEU 12 11.714 0.213 -2.176 1072 1HD1 LEU 12 1HD1 LEU 12 9.622 -0.584 -3.574 1073 2HD1 LEU 12 2HD1 LEU 12 9.812 1.122 -3.167 1074 3HD1 LEU 12 3HD1 LEU 12 8.715 0.108 -2.230 1075 1HD2 LEU 12 1HD2 LEU 12 11.405 0.578 0.083 1076 2HD2 LEU 12 2HD2 LEU 12 9.953 -0.421 0.153 1077 3HD2 LEU 12 3HD2 LEU 12 9.869 1.210 -0.509 1078 H GLU 13 H GLU 13 11.611 -3.735 0.624 1079 HA GLU 13 HA GLU 13 11.453 -1.971 2.871 1080 1HB GLU 13 1HB GLU 13 10.586 -4.353 2.664 1081 2HB GLU 13 2HB GLU 13 12.239 -4.904 2.936 1082 1HG GLU 13 1HG GLU 13 12.047 -3.236 5.018 1083 2HG GLU 13 2HG GLU 13 10.333 -3.615 4.838 1084 H GLU 14 H GLU 14 14.231 -3.899 1.652 1085 HA GLU 14 HA GLU 14 16.039 -3.325 3.813 1086 1HB GLU 14 1HB GLU 14 16.244 -4.957 1.794 1087 2HB GLU 14 2HB GLU 14 16.881 -3.565 0.917 1088 1HG GLU 14 1HG GLU 14 18.857 -4.398 1.773 1089 2HG GLU 14 2HG GLU 14 18.392 -3.345 3.108 1090 H ARG 15 H ARG 15 15.310 -1.491 0.809 1091 HA ARG 15 HA ARG 15 17.339 0.510 1.049 1092 1HB ARG 15 1HB ARG 15 15.820 0.161 -0.909 1093 2HB ARG 15 2HB ARG 15 14.490 0.834 0.035 1094 1HG ARG 15 1HG ARG 15 15.989 2.896 0.368 1095 2HG ARG 15 2HG ARG 15 16.991 2.231 -0.924 1096 1HD ARG 15 1HD ARG 15 14.868 2.106 -2.343 1097 2HD ARG 15 2HD ARG 15 14.089 3.096 -1.091 1098 HE ARG 15 HE ARG 15 16.588 3.973 -2.495 1099 1HH1 ARG 15 1HH1 ARG 15 15.506 5.442 -0.055 1100 2HH1 ARG 15 2HH1 ARG 15 14.626 6.733 -0.803 1101 1HH2 ARG 15 1HH2 ARG 15 14.575 5.239 -3.932 1102 2HH2 ARG 15 2HH2 ARG 15 14.099 6.617 -2.998 1103 H ILE 16 H ILE 16 14.122 0.295 2.631 1104 HA ILE 16 HA ILE 16 14.355 2.965 3.841 1105 HB ILE 16 HB ILE 16 12.544 0.608 4.493 1106 1HG1 ILE 16 1HG1 ILE 16 11.719 3.035 2.928 1107 2HG1 ILE 16 2HG1 ILE 16 12.591 1.742 2.104 1108 1HG2 ILE 16 1HG2 ILE 16 12.164 3.559 5.076 1109 2HG2 ILE 16 2HG2 ILE 16 12.738 2.389 6.265 1110 3HG2 ILE 16 3HG2 ILE 16 11.117 2.233 5.585 1111 1HD1 ILE 16 1HD1 ILE 16 10.086 1.320 3.757 1112 2HD1 ILE 16 2HD1 ILE 16 10.917 0.114 2.774 1113 3HD1 ILE 16 3HD1 ILE 16 10.101 1.473 2.000 1114 H LEU 17 H LEU 17 14.882 -0.413 4.967 1115 HA LEU 17 HA LEU 17 16.149 0.728 7.440 1116 1HB LEU 17 1HB LEU 17 14.347 -1.576 6.850 1117 2HB LEU 17 2HB LEU 17 15.566 -1.818 8.102 1118 HG LEU 17 HG LEU 17 13.697 0.562 8.047 1119 1HD1 LEU 17 1HD1 LEU 17 13.329 -1.605 10.045 1120 2HD1 LEU 17 2HD1 LEU 17 12.818 -1.976 8.398 1121 3HD1 LEU 17 3HD1 LEU 17 12.126 -0.593 9.246 1122 1HD2 LEU 17 1HD2 LEU 17 14.671 1.174 10.035 1123 2HD2 LEU 17 2HD2 LEU 17 16.038 0.274 9.378 1124 3HD2 LEU 17 3HD2 LEU 17 14.948 -0.496 10.530 1125 H GLY 18 H GLY 18 18.067 0.811 5.696 1126 1HA GLY 18 1HA GLY 18 19.356 -1.878 5.512 1127 2HA GLY 18 2HA GLY 18 19.741 -0.504 4.474 1128 H ALA 19 H ALA 19 21.153 1.161 5.293 1129 HA ALA 19 HA ALA 19 22.291 0.689 8.019 1130 1HB ALA 19 1HB ALA 19 23.907 -0.393 6.754 1131 2HB ALA 19 2HB ALA 19 24.522 1.257 6.660 1132 3HB ALA 19 3HB ALA 19 23.587 0.587 5.324 1133 H ASP 20 H ASP 20 24.015 2.672 8.359 1134 HA ASP 20 HA ASP 20 22.877 5.174 7.185 1135 1HB ASP 20 1HB ASP 20 21.867 4.417 9.442 1136 2HB ASP 20 2HB ASP 20 23.437 4.825 10.135 1137 H THR 21 H THR 21 24.423 6.972 7.222 1138 HA THR 21 HA THR 21 27.229 6.138 7.896 1139 HB THR 21 HB THR 21 27.765 7.766 5.988 1140 HG1 THR 21 HG1 THR 21 25.885 8.867 5.790 1141 1HG2 THR 21 1HG2 THR 21 27.732 5.264 5.784 1142 2HG2 THR 21 2HG2 THR 21 27.332 6.100 4.284 1143 3HG2 THR 21 3HG2 THR 21 26.052 5.376 5.259 1144 H SER 22 H SER 22 26.471 7.169 10.108 1145 HA SER 22 HA SER 22 27.188 10.066 10.034 1146 1HB SER 22 1HB SER 22 24.766 8.806 11.359 1147 2HB SER 22 2HB SER 22 25.262 10.482 11.577 1148 HG SER 22 HG SER 22 23.815 10.510 9.931 1149 H VAL 23 H VAL 23 28.576 10.602 11.759 1150 HA VAL 23 HA VAL 23 28.899 8.535 13.916 1151 HB VAL 23 HB VAL 23 30.913 10.424 12.643 1152 1HG1 VAL 23 1HG1 VAL 23 32.560 9.023 13.931 1153 2HG1 VAL 23 2HG1 VAL 23 31.197 8.274 14.763 1154 3HG1 VAL 23 3HG1 VAL 23 31.508 10.000 14.955 1155 1HG2 VAL 23 1HG2 VAL 23 30.636 8.776 11.028 1156 2HG2 VAL 23 2HG2 VAL 23 30.167 7.553 12.208 1157 3HG2 VAL 23 3HG2 VAL 23 31.862 8.015 12.044 1158 H ASP 24 H ASP 24 27.159 9.878 15.084 1159 HA ASP 24 HA ASP 24 28.424 12.261 16.397 1160 1HB ASP 24 1HB ASP 24 26.652 12.717 14.616 1161 2HB ASP 24 2HB ASP 24 25.496 11.937 15.695 1162 H LEU 25 H LEU 25 27.885 12.496 18.672 1163 HA LEU 25 HA LEU 25 26.313 10.233 19.857 1164 1HB LEU 25 1HB LEU 25 29.107 11.168 20.272 1165 2HB LEU 25 2HB LEU 25 28.216 10.715 21.725 1166 HG LEU 25 HG LEU 25 27.543 8.632 20.170 1167 1HD1 LEU 25 1HD1 LEU 25 29.874 8.039 19.079 1168 2HD1 LEU 25 2HD1 LEU 25 30.068 9.791 19.036 1169 3HD1 LEU 25 3HD1 LEU 25 28.714 9.032 18.197 1170 1HD2 LEU 25 1HD2 LEU 25 29.239 7.367 21.342 1171 2HD2 LEU 25 2HD2 LEU 25 28.693 8.651 22.420 1172 3HD2 LEU 25 3HD2 LEU 25 30.228 8.810 21.567 Start of MODEL 10 1 1H PHE 1 1H PHE 1 -21.783 -35.470 12.601 2 2H PHE 1 2H PHE 1 -20.715 -34.224 13.042 3 3H PHE 1 3H PHE 1 -21.408 -35.216 14.235 4 HA PHE 1 HA PHE 1 -20.207 -37.144 13.338 5 1HB PHE 1 1HB PHE 1 -19.948 -35.204 11.206 6 2HB PHE 1 2HB PHE 1 -18.345 -35.752 11.690 7 HD1 PHE 1 HD1 PHE 1 -17.799 -38.195 11.676 8 HD2 PHE 1 HD2 PHE 1 -21.480 -36.663 10.077 9 HE1 PHE 1 HE1 PHE 1 -18.158 -40.326 10.460 10 HE2 PHE 1 HE2 PHE 1 -21.839 -38.795 8.861 11 HZ PHE 1 HZ PHE 1 -20.177 -40.626 9.052 12 H ALA 2 H ALA 2 -17.629 -37.306 13.651 13 HA ALA 2 HA ALA 2 -16.864 -35.292 15.744 14 1HB ALA 2 1HB ALA 2 -15.825 -37.130 16.900 15 2HB ALA 2 2HB ALA 2 -15.993 -38.184 15.496 16 3HB ALA 2 3HB ALA 2 -17.422 -37.691 16.405 17 H LYS 3 H LYS 3 -14.384 -35.077 15.959 18 HA LYS 3 HA LYS 3 -12.330 -34.503 14.951 19 1HB LYS 3 1HB LYS 3 -12.778 -37.149 14.698 20 2HB LYS 3 2HB LYS 3 -12.687 -36.719 12.989 21 1HG LYS 3 1HG LYS 3 -10.471 -36.074 13.124 22 2HG LYS 3 2HG LYS 3 -10.596 -35.624 14.824 23 1HD LYS 3 1HD LYS 3 -10.972 -38.161 15.243 24 2HD LYS 3 2HD LYS 3 -10.298 -38.371 13.626 25 1HE LYS 3 1HE LYS 3 -8.203 -37.453 14.251 26 2HE LYS 3 2HE LYS 3 -8.873 -36.713 15.719 27 1HZ LYS 3 1HZ LYS 3 -8.712 -39.631 15.169 28 2HZ LYS 3 2HZ LYS 3 -9.374 -38.921 16.564 29 3HZ LYS 3 3HZ LYS 3 -7.712 -38.776 16.241 30 H LEU 4 H LEU 4 -13.020 -32.485 13.915 31 HA LEU 4 HA LEU 4 -13.536 -32.772 10.970 32 1HB LEU 4 1HB LEU 4 -15.484 -32.079 12.467 33 2HB LEU 4 2HB LEU 4 -14.581 -30.601 12.809 34 HG LEU 4 HG LEU 4 -14.407 -30.559 10.135 35 1HD1 LEU 4 1HD1 LEU 4 -15.638 -32.654 9.821 36 2HD1 LEU 4 2HD1 LEU 4 -16.578 -31.306 9.180 37 3HD1 LEU 4 3HD1 LEU 4 -17.001 -32.013 10.740 38 1HD2 LEU 4 1HD2 LEU 4 -15.344 -28.780 11.572 39 2HD2 LEU 4 2HD2 LEU 4 -16.845 -29.694 11.726 40 3HD2 LEU 4 3HD2 LEU 4 -16.364 -29.047 10.158 41 H VAL 5 H VAL 5 -11.397 -32.273 10.235 42 HA VAL 5 HA VAL 5 -10.350 -29.585 11.070 43 HB VAL 5 HB VAL 5 -8.845 -32.157 10.470 44 1HG1 VAL 5 1HG1 VAL 5 -7.878 -29.416 11.343 45 2HG1 VAL 5 2HG1 VAL 5 -7.564 -30.186 9.788 46 3HG1 VAL 5 3HG1 VAL 5 -6.869 -30.861 11.261 47 1HG2 VAL 5 1HG2 VAL 5 -9.701 -32.478 12.620 48 2HG2 VAL 5 2HG2 VAL 5 -9.678 -30.754 12.994 49 3HG2 VAL 5 3HG2 VAL 5 -8.172 -31.672 12.972 50 H ARG 6 H ARG 6 -9.744 -28.241 9.324 51 HA ARG 6 HA ARG 6 -9.526 -29.492 6.615 52 1HB ARG 6 1HB ARG 6 -11.482 -27.514 7.687 53 2HB ARG 6 2HB ARG 6 -10.874 -27.219 6.057 54 1HG ARG 6 1HG ARG 6 -11.868 -29.106 5.194 55 2HG ARG 6 2HG ARG 6 -11.714 -30.005 6.705 56 1HD ARG 6 1HD ARG 6 -14.027 -29.597 6.632 57 2HD ARG 6 2HD ARG 6 -13.461 -28.211 7.585 58 HE ARG 6 HE ARG 6 -13.568 -26.840 5.558 59 1HH1 ARG 6 1HH2 ARG 6 -13.338 -29.537 3.903 60 2HH1 ARG 6 2HH2 ARG 6 -14.856 -29.472 3.071 61 1HH2 ARG 6 1HH1 ARG 6 -16.156 -26.968 5.088 62 2HH2 ARG 6 2HH1 ARG 6 -16.451 -28.018 3.742 63 HA PRO 7 HA PRO 7 -6.076 -26.741 6.366 64 1HB PRO 7 1HB PRO 7 -5.828 -26.485 3.654 65 2HB PRO 7 2HB PRO 7 -5.353 -27.952 4.535 66 1HG PRO 7 1HG PRO 7 -7.816 -27.404 2.959 67 2HG PRO 7 2HG PRO 7 -6.858 -28.888 3.078 68 1HD PRO 7 1HD PRO 7 -9.209 -28.502 4.405 69 2HD PRO 7 2HD PRO 7 -7.915 -29.573 4.986 70 HA PRO 8 HA PRO 8 -8.463 -22.929 5.877 71 1HB PRO 8 1HB PRO 8 -6.658 -21.255 7.071 72 2HB PRO 8 2HB PRO 8 -7.768 -22.290 7.990 73 1HG PRO 8 1HG PRO 8 -4.885 -22.680 7.382 74 2HG PRO 8 2HG PRO 8 -5.789 -23.054 8.856 75 1HD PRO 8 1HD PRO 8 -5.070 -24.924 6.997 76 2HD PRO 8 2HD PRO 8 -6.474 -25.088 8.073 77 H VAL 9 H VAL 9 -7.835 -20.665 4.867 78 HA VAL 9 HA VAL 9 -5.789 -21.129 2.719 79 HB VAL 9 HB VAL 9 -8.313 -19.435 2.759 80 1HG1 VAL 9 1HG1 VAL 9 -7.799 -18.717 0.636 81 2HG1 VAL 9 2HG1 VAL 9 -6.921 -20.193 0.236 82 3HG1 VAL 9 3HG1 VAL 9 -6.152 -18.950 1.221 83 1HG2 VAL 9 1HG2 VAL 9 -8.542 -21.998 2.750 84 2HG2 VAL 9 2HG2 VAL 9 -7.787 -21.949 1.157 85 3HG2 VAL 9 3HG2 VAL 9 -9.329 -21.135 1.428 86 H GLN 10 H GLN 10 -3.991 -19.790 2.908 87 HA GLN 10 HA GLN 10 -4.385 -17.065 4.087 88 1HB GLN 10 1HB GLN 10 -2.254 -19.122 4.756 89 2HB GLN 10 2HB GLN 10 -2.296 -17.474 5.383 90 1HG GLN 10 1HG GLN 10 -4.807 -18.260 6.013 91 2HG GLN 10 2HG GLN 10 -3.977 -19.814 6.103 92 1HE2 GLN 10 1HE2 GLN 10 -1.663 -19.537 7.347 93 2HE2 GLN 10 2HE2 GLN 10 -1.763 -18.638 8.782 94 H ILE 11 H ILE 11 -3.061 -15.451 3.082 95 HA ILE 11 HA ILE 11 -1.717 -14.495 1.407 96 HB ILE 11 HB ILE 11 -0.287 -17.132 1.845 97 1HG1 ILE 11 1HG1 ILE 11 1.201 -15.382 3.167 98 2HG1 ILE 11 2HG1 ILE 11 -0.304 -14.465 3.220 99 1HG2 ILE 11 1HG2 ILE 11 0.310 -14.704 0.232 100 2HG2 ILE 11 2HG2 ILE 11 0.787 -16.380 -0.043 101 3HG2 ILE 11 3HG2 ILE 11 1.650 -15.401 1.144 102 1HD1 ILE 11 1HD1 ILE 11 -0.580 -17.330 3.892 103 2HD1 ILE 11 2HD1 ILE 11 -1.283 -15.914 4.675 104 3HD1 ILE 11 3HD1 ILE 11 0.376 -16.388 5.036 105 H TYR 12 H TYR 12 -2.828 -14.321 -0.542 106 HA TYR 12 HA TYR 12 -2.588 -16.561 -2.489 107 1HB TYR 12 1HB TYR 12 -5.232 -15.822 -2.842 108 2HB TYR 12 2HB TYR 12 -4.713 -17.239 -1.939 109 HD1 TYR 12 HD1 TYR 12 -4.385 -17.054 0.553 110 HD2 TYR 12 HD2 TYR 12 -6.301 -13.970 -1.736 111 HE1 TYR 12 HE1 TYR 12 -5.268 -16.082 2.627 112 HE2 TYR 12 HE2 TYR 12 -7.221 -13.001 0.355 113 HH TYR 12 HH TYR 12 -7.768 -14.080 2.803 114 H GLY 13 H GLY 13 -1.151 -14.933 -3.569 115 1HA GLY 13 1HA GLY 13 -1.747 -13.672 -5.754 116 2HA GLY 13 2HA GLY 13 -2.630 -12.593 -4.672 117 H ILE 14 H ILE 14 0.321 -13.010 -6.215 118 HA ILE 14 HA ILE 14 2.350 -12.279 -4.418 119 HB ILE 14 HB ILE 14 2.388 -12.737 -6.958 120 1HG1 ILE 14 1HG1 ILE 14 4.402 -12.231 -5.614 121 2HG1 ILE 14 2HG1 ILE 14 4.522 -11.575 -7.243 122 1HG2 ILE 14 1HG2 ILE 14 0.850 -10.851 -7.551 123 2HG2 ILE 14 2HG2 ILE 14 2.362 -10.845 -8.459 124 3HG2 ILE 14 3HG2 ILE 14 2.136 -9.724 -7.116 125 1HD1 ILE 14 1HD1 ILE 14 5.157 -9.687 -6.117 126 2HD1 ILE 14 2HD1 ILE 14 4.318 -10.159 -4.640 127 3HD1 ILE 14 3HD1 ILE 14 3.416 -9.448 -5.976 128 H GLU 15 H GLU 15 -0.208 -10.134 -5.699 129 HA GLU 15 HA GLU 15 0.874 -7.603 -4.928 130 1HB GLU 15 1HB GLU 15 -1.563 -8.570 -5.933 131 2HB GLU 15 2HB GLU 15 -2.002 -7.851 -4.387 132 1HG GLU 15 1HG GLU 15 -1.015 -5.739 -5.012 133 2HG GLU 15 2HG GLU 15 -0.314 -6.442 -6.470 134 H GLY 16 H GLY 16 -0.751 -10.094 -2.918 135 1HA GLY 16 1HA GLY 16 -1.105 -8.508 -0.576 136 2HA GLY 16 2HA GLY 16 -0.907 -10.262 -0.582 137 H ARG 17 H ARG 17 1.757 -10.304 -1.775 138 HA ARG 17 HA ARG 17 3.405 -10.084 0.543 139 1HB ARG 17 1HB ARG 17 3.823 -10.358 -2.398 140 2HB ARG 17 2HB ARG 17 5.218 -9.842 -1.454 141 1HG ARG 17 1HG ARG 17 3.781 -12.043 -0.167 142 2HG ARG 17 2HG ARG 17 4.338 -12.472 -1.783 143 1HD ARG 17 1HD ARG 17 6.570 -12.315 -1.205 144 2HD ARG 17 2HD ARG 17 6.275 -11.035 -0.010 145 HE ARG 17 HE ARG 17 5.408 -13.864 0.472 146 1HH1 ARG 17 1HH1 ARG 17 8.044 -12.095 1.219 147 2HH1 ARG 17 2HH1 ARG 17 7.802 -12.046 2.933 148 1HH2 ARG 17 1HH2 ARG 17 4.568 -13.285 2.778 149 2HH2 ARG 17 2HH2 ARG 17 5.833 -12.719 3.815 150 H TYR 18 H TYR 18 2.490 -7.554 -1.797 151 HA TYR 18 HA TYR 18 4.588 -5.683 -1.296 152 1HB TYR 18 1HB TYR 18 1.695 -5.519 -2.088 153 2HB TYR 18 2HB TYR 18 2.508 -4.026 -1.643 154 HD1 TYR 18 HD1 TYR 18 2.823 -2.876 -3.651 155 HD2 TYR 18 HD2 TYR 18 3.869 -7.036 -3.424 156 HE1 TYR 18 HE1 TYR 18 3.817 -2.747 -5.914 157 HE2 TYR 18 HE2 TYR 18 4.871 -6.907 -5.689 158 HH TYR 18 HH TYR 18 4.384 -5.209 -7.818 159 H ALA 19 H ALA 19 1.568 -6.282 0.550 160 HA ALA 19 HA ALA 19 2.172 -4.173 2.510 161 1HB ALA 19 1HB ALA 19 0.387 -5.898 3.733 162 2HB ALA 19 2HB ALA 19 0.061 -6.183 2.024 163 3HB ALA 19 3HB ALA 19 -0.072 -4.555 2.687 164 H THR 20 H THR 20 2.634 -7.727 2.345 165 HA THR 20 HA THR 20 3.629 -7.897 5.077 166 HB THR 20 HB THR 20 4.576 -10.053 3.410 167 HG1 THR 20 HG1 THR 20 2.619 -10.630 2.459 168 1HG2 THR 20 1HG2 THR 20 4.020 -10.738 5.526 169 2HG2 THR 20 2HG2 THR 20 2.475 -11.081 4.748 170 3HG2 THR 20 3HG2 THR 20 2.688 -9.590 5.667 171 H ALA 21 H ALA 21 5.190 -7.377 1.895 172 HA ALA 21 HA ALA 21 7.882 -7.661 3.070 173 1HB ALA 21 1HB ALA 21 6.943 -7.911 0.563 174 2HB ALA 21 2HB ALA 21 8.611 -7.430 0.877 175 3HB ALA 21 3HB ALA 21 7.397 -6.207 0.496 176 H LEU 22 H LEU 22 5.496 -5.159 3.127 177 HA LEU 22 HA LEU 22 7.587 -3.040 3.457 178 1HB LEU 22 1HB LEU 22 5.669 -2.592 1.945 179 2HB LEU 22 2HB LEU 22 4.552 -2.917 3.270 180 HG LEU 22 HG LEU 22 6.180 -1.049 4.424 181 1HD1 LEU 22 1HD1 LEU 22 5.750 0.252 1.799 182 2HD1 LEU 22 2HD1 LEU 22 7.048 -0.941 1.852 183 3HD1 LEU 22 3HD1 LEU 22 7.073 0.438 2.949 184 1HD2 LEU 22 1HD2 LEU 22 3.541 -1.271 3.817 185 2HD2 LEU 22 2HD2 LEU 22 3.990 0.075 2.767 186 3HD2 LEU 22 3HD2 LEU 22 4.259 0.184 4.507 187 H TYR 23 H TYR 23 4.782 -4.545 5.143 188 HA TYR 23 HA TYR 23 5.375 -3.086 7.588 189 1HB TYR 23 1HB TYR 23 3.279 -3.748 8.078 190 2HB TYR 23 2HB TYR 23 3.209 -4.553 6.522 191 HD1 TYR 23 HD1 TYR 23 4.333 -5.065 10.037 192 HD2 TYR 23 HD2 TYR 23 2.895 -6.852 6.430 193 HE1 TYR 23 HE1 TYR 23 4.164 -7.235 11.206 194 HE2 TYR 23 HE2 TYR 23 2.758 -9.037 7.554 195 HH TYR 23 HH TYR 23 4.187 -9.986 9.949 196 H SER 24 H SER 24 6.792 -5.929 6.089 197 HA SER 24 HA SER 24 7.529 -7.523 8.321 198 1HB SER 24 1HB SER 24 9.504 -8.136 6.953 199 2HB SER 24 2HB SER 24 8.069 -8.025 5.937 200 HG SER 24 HG SER 24 10.231 -6.232 6.204 201 H ALA 25 H ALA 25 8.974 -4.460 7.145 202 HA ALA 25 HA ALA 25 10.965 -4.368 9.316 203 1HB ALA 25 1HB ALA 25 9.977 -2.520 7.140 204 2HB ALA 25 2HB ALA 25 11.608 -3.136 7.404 205 3HB ALA 25 3HB ALA 25 10.966 -1.867 8.447 206 H ALA 26 H ALA 26 7.739 -2.944 8.582 207 HA ALA 26 HA ALA 26 7.459 -1.260 10.872 208 1HB ALA 26 1HB ALA 26 5.098 -1.378 10.412 209 2HB ALA 26 2HB ALA 26 5.255 -2.972 9.673 210 3HB ALA 26 3HB ALA 26 5.903 -1.551 8.853 211 H SER 27 H SER 27 6.961 -4.812 10.574 212 HA SER 27 HA SER 27 5.719 -5.327 13.100 213 1HB SER 27 1HB SER 27 6.624 -7.580 12.835 214 2HB SER 27 2HB SER 27 6.181 -6.974 11.241 215 HG SER 27 HG SER 27 8.318 -7.965 11.433 216 H LYS 28 H LYS 28 9.203 -4.915 12.297 217 HA LYS 28 HA LYS 28 10.122 -5.379 15.035 218 1HB LYS 28 1HB LYS 28 11.344 -5.345 12.639 219 2HB LYS 28 2HB LYS 28 11.672 -3.679 13.115 220 1HG LYS 28 1HG LYS 28 12.435 -4.714 15.377 221 2HG LYS 28 2HG LYS 28 12.527 -6.227 14.475 222 1HD LYS 28 1HD LYS 28 13.868 -4.758 12.739 223 2HD LYS 28 2HD LYS 28 14.144 -3.724 14.142 224 1HE LYS 28 1HE LYS 28 15.973 -5.210 14.248 225 2HE LYS 28 2HE LYS 28 14.799 -5.995 15.324 226 1HZ LYS 28 1HZ LYS 28 15.567 -7.601 13.736 227 2HZ LYS 28 2HZ LYS 28 15.220 -6.562 12.437 228 3HZ LYS 28 3HZ LYS 28 13.956 -7.215 13.367 229 H GLN 29 H GLN 29 9.288 -2.461 13.109 230 HA GLN 29 HA GLN 29 9.975 -0.644 15.325 231 1HB GLN 29 1HB GLN 29 8.497 -0.212 12.708 232 2HB GLN 29 2HB GLN 29 9.058 1.074 13.777 233 1HG GLN 29 1HG GLN 29 11.272 0.755 13.229 234 2HG GLN 29 2HG GLN 29 11.059 -0.970 12.930 235 1HE2 GLN 29 1HE2 GLN 29 11.306 2.109 11.367 236 2HE2 GLN 29 2HE2 GLN 29 10.831 1.597 9.820 237 H ASN 30 H ASN 30 7.272 -2.692 14.814 238 HA ASN 30 HA ASN 30 5.226 -2.829 15.936 239 1HB ASN 30 1HB ASN 30 6.857 -1.673 17.721 240 2HB ASN 30 2HB ASN 30 5.780 -0.304 17.445 241 1HD2 ASN 30 1HD2 ASN 30 5.909 -3.645 18.704 242 2HD2 ASN 30 2HD2 ASN 30 4.378 -3.595 19.435 243 H LYS 31 H LYS 31 5.398 -1.489 13.395 244 HA LYS 31 HA LYS 31 3.489 0.794 13.738 245 1HB LYS 31 1HB LYS 31 5.600 0.007 11.787 246 2HB LYS 31 2HB LYS 31 4.213 0.894 11.151 247 1HG LYS 31 1HG LYS 31 5.927 2.492 11.811 248 2HG LYS 31 2HG LYS 31 4.567 2.623 12.924 249 1HD LYS 31 1HD LYS 31 5.715 1.549 14.661 250 2HD LYS 31 2HD LYS 31 6.858 0.781 13.559 251 1HE LYS 31 1HE LYS 31 8.108 2.758 13.274 252 2HE LYS 31 2HE LYS 31 6.769 3.789 13.816 253 1HZ LYS 31 1HZ LYS 31 8.325 1.873 15.469 254 2HZ LYS 31 2HZ LYS 31 6.919 2.664 16.000 255 3HZ LYS 31 3HZ LYS 31 8.309 3.562 15.618 256 H LEU 32 H LEU 32 3.013 -2.415 13.502 257 HA LEU 32 HA LEU 32 1.604 -3.080 11.159 258 1HB LEU 32 1HB LEU 32 1.360 -3.755 14.082 259 2HB LEU 32 2HB LEU 32 0.111 -4.339 12.990 260 HG LEU 32 HG LEU 32 2.118 -5.900 13.423 261 1HD1 LEU 32 1HD1 LEU 32 1.812 -5.349 10.500 262 2HD1 LEU 32 2HD1 LEU 32 0.392 -5.799 11.440 263 3HD1 LEU 32 3HD1 LEU 32 1.772 -6.887 11.362 264 1HD2 LEU 32 1HD2 LEU 32 3.928 -4.271 13.200 265 2HD2 LEU 32 2HD2 LEU 32 3.445 -3.926 11.539 266 3HD2 LEU 32 3HD2 LEU 32 4.085 -5.504 11.965 267 H GLU 33 H GLU 33 0.459 -1.100 13.924 268 HA GLU 33 HA GLU 33 -2.243 -0.776 12.794 269 1HB GLU 33 1HB GLU 33 -0.664 0.670 14.958 270 2HB GLU 33 2HB GLU 33 -2.342 1.052 14.571 271 1HG GLU 33 1HG GLU 33 -3.130 -1.009 15.344 272 2HG GLU 33 2HG GLU 33 -1.558 -1.790 15.156 273 H GLN 34 H GLN 34 0.784 1.157 12.899 274 HA GLN 34 HA GLN 34 -0.159 3.473 11.499 275 1HB GLN 34 1HB GLN 34 2.563 2.138 11.551 276 2HB GLN 34 2HB GLN 34 2.268 3.768 10.943 277 1HG GLN 34 1HG GLN 34 1.060 3.490 13.556 278 2HG GLN 34 2HG GLN 34 2.746 2.985 13.635 279 1HE2 GLN 34 1HE2 GLN 34 0.773 5.705 12.235 280 2HE2 GLN 34 2HE2 GLN 34 1.947 6.888 12.556 281 H VAL 35 H VAL 35 0.783 0.260 10.257 282 HA VAL 35 HA VAL 35 0.502 1.334 7.480 283 HB VAL 35 HB VAL 35 1.381 -1.473 8.066 284 1HG1 VAL 35 1HG1 VAL 35 1.228 -0.738 5.767 285 2HG1 VAL 35 2HG1 VAL 35 2.930 -0.935 6.182 286 3HG1 VAL 35 3HG1 VAL 35 2.221 0.677 6.115 287 1HG2 VAL 35 1HG2 VAL 35 2.835 0.955 8.997 288 2HG2 VAL 35 2HG2 VAL 35 3.801 -0.227 8.114 289 3HG2 VAL 35 3HG2 VAL 35 2.946 -0.708 9.574 290 H GLU 36 H GLU 36 -0.796 -1.267 9.617 291 HA GLU 36 HA GLU 36 -2.532 -2.399 7.588 292 1HB GLU 36 1HB GLU 36 -1.743 -3.374 9.853 293 2HB GLU 36 2HB GLU 36 -3.071 -2.455 10.559 294 1HG GLU 36 1HG GLU 36 -3.618 -4.186 8.174 295 2HG GLU 36 2HG GLU 36 -3.459 -4.943 9.759 296 H LYS 37 H LYS 37 -2.948 0.394 9.768 297 HA LYS 37 HA LYS 37 -5.861 0.469 9.203 298 1HB LYS 37 1HB LYS 37 -4.370 1.146 11.372 299 2HB LYS 37 2HB LYS 37 -4.503 2.722 10.590 300 1HG LYS 37 1HG LYS 37 -7.046 2.075 10.370 301 2HG LYS 37 2HG LYS 37 -6.675 0.967 11.692 302 1HD LYS 37 1HD LYS 37 -5.495 3.159 12.679 303 2HD LYS 37 2HD LYS 37 -6.708 3.949 11.671 304 1HE LYS 37 1HE LYS 37 -7.362 1.766 13.680 305 2HE LYS 37 2HE LYS 37 -7.519 3.502 14.013 306 1HZ LYS 37 1HZ LYS 37 -8.896 3.679 11.992 307 2HZ LYS 37 2HZ LYS 37 -9.603 2.685 13.175 308 3HZ LYS 37 3HZ LYS 37 -8.843 1.992 11.822 309 H GLU 38 H GLU 38 -2.914 2.320 8.286 310 HA GLU 38 HA GLU 38 -4.506 4.327 6.841 311 1HB GLU 38 1HB GLU 38 -1.613 3.652 7.208 312 2HB GLU 38 2HB GLU 38 -2.062 4.645 5.825 313 1HG GLU 38 1HG GLU 38 -1.600 6.143 7.661 314 2HG GLU 38 2HG GLU 38 -3.343 6.134 7.404 315 H LEU 39 H LEU 39 -2.815 1.281 5.988 316 HA LEU 39 HA LEU 39 -3.013 1.470 3.139 317 1HB LEU 39 1HB LEU 39 -3.071 -0.835 5.103 318 2HB LEU 39 2HB LEU 39 -3.164 -1.115 3.365 319 HG LEU 39 HG LEU 39 -0.963 0.465 4.725 320 1HD1 LEU 39 1HD1 LEU 39 0.425 -1.559 4.102 321 2HD1 LEU 39 2HD1 LEU 39 -1.083 -2.403 3.754 322 3HD1 LEU 39 3HD1 LEU 39 -0.745 -1.841 5.392 323 1HD2 LEU 39 1HD2 LEU 39 -1.156 1.194 2.470 324 2HD2 LEU 39 2HD2 LEU 39 -1.501 -0.435 1.890 325 3HD2 LEU 39 3HD2 LEU 39 0.123 -0.020 2.436 326 H LEU 40 H LEU 40 -5.479 0.550 5.593 327 HA LEU 40 HA LEU 40 -7.468 -0.506 3.831 328 1HB LEU 40 1HB LEU 40 -7.490 -0.445 6.365 329 2HB LEU 40 2HB LEU 40 -7.946 1.256 6.259 330 HG LEU 40 HG LEU 40 -9.794 0.242 4.599 331 1HD1 LEU 40 1HD1 LEU 40 -9.375 -2.049 4.659 332 2HD1 LEU 40 2HD1 LEU 40 -10.578 -1.893 5.939 333 3HD1 LEU 40 3HD1 LEU 40 -8.867 -2.015 6.347 334 1HD2 LEU 40 1HD2 LEU 40 -11.309 0.126 6.619 335 2HD2 LEU 40 2HD2 LEU 40 -10.341 1.597 6.528 336 3HD2 LEU 40 3HD2 LEU 40 -9.875 0.302 7.630 337 H ARG 41 H ARG 41 -6.621 2.906 4.547 338 HA ARG 41 HA ARG 41 -8.893 4.163 3.341 339 1HB ARG 41 1HB ARG 41 -6.042 4.904 3.889 340 2HB ARG 41 2HB ARG 41 -6.971 5.958 2.824 341 1HG ARG 41 1HG ARG 41 -7.321 6.832 5.008 342 2HG ARG 41 2HG ARG 41 -8.787 5.920 4.641 343 1HD ARG 41 1HD ARG 41 -7.999 4.018 5.944 344 2HD ARG 41 2HD ARG 41 -6.435 4.811 6.214 345 HE ARG 41 HE ARG 41 -9.008 6.007 7.176 346 1HH1 ARG 41 1HH1 ARG 41 -6.180 7.330 7.197 347 2HH1 ARG 41 2HH1 ARG 41 -5.777 7.140 8.871 348 1HH2 ARG 41 1HH2 ARG 41 -8.284 4.825 9.484 349 2HH2 ARG 41 2HH2 ARG 41 -6.969 5.722 10.166 350 H VAL 42 H VAL 42 -5.803 3.061 1.846 351 HA VAL 42 HA VAL 42 -6.336 4.047 -0.802 352 HB VAL 42 HB VAL 42 -4.806 1.583 0.125 353 1HG1 VAL 42 1HG1 VAL 42 -4.956 1.238 -2.173 354 2HG1 VAL 42 2HG1 VAL 42 -3.516 2.253 -2.088 355 3HG1 VAL 42 3HG1 VAL 42 -5.070 2.961 -2.528 356 1HG2 VAL 42 1HG2 VAL 42 -4.215 4.503 -0.017 357 2HG2 VAL 42 2HG2 VAL 42 -2.917 3.396 -0.466 358 3HG2 VAL 42 3HG2 VAL 42 -3.646 3.297 1.137 359 H GLY 43 H GLY 43 -7.291 0.967 0.791 360 1HA GLY 43 1HA GLY 43 -8.457 -0.223 -1.548 361 2HA GLY 43 2HA GLY 43 -8.833 -0.666 0.119 362 H GLN 44 H GLN 44 -9.872 1.725 1.135 363 HA GLN 44 HA GLN 44 -12.583 1.703 0.175 364 1HB GLN 44 1HB GLN 44 -10.938 3.606 1.855 365 2HB GLN 44 2HB GLN 44 -12.623 3.965 1.474 366 1HG GLN 44 1HG GLN 44 -13.014 1.483 2.292 367 2HG GLN 44 2HG GLN 44 -11.491 1.746 3.142 368 1HE2 GLN 44 1HE2 GLN 44 -14.625 1.761 3.916 369 2HE2 GLN 44 2HE2 GLN 44 -14.703 3.109 4.945 370 H ILE 45 H ILE 45 -9.829 3.881 -0.590 371 HA ILE 45 HA ILE 45 -11.265 5.784 -2.188 372 HB ILE 45 HB ILE 45 -8.410 4.732 -2.367 373 1HG1 ILE 45 1HG1 ILE 45 -9.243 7.403 -1.272 374 2HG1 ILE 45 2HG1 ILE 45 -9.423 5.969 -0.264 375 1HG2 ILE 45 1HG2 ILE 45 -9.240 5.905 -4.473 376 2HG2 ILE 45 2HG2 ILE 45 -7.860 6.671 -3.690 377 3HG2 ILE 45 3HG2 ILE 45 -9.474 7.345 -3.483 378 1HD1 ILE 45 1HD1 ILE 45 -6.821 6.237 -1.666 379 2HD1 ILE 45 2HD1 ILE 45 -7.165 5.691 -0.025 380 3HD1 ILE 45 3HD1 ILE 45 -7.132 7.415 -0.391 381 H LEU 46 H LEU 46 -9.824 2.610 -3.073 382 HA LEU 46 HA LEU 46 -10.424 2.861 -5.912 383 1HB LEU 46 1HB LEU 46 -8.950 1.146 -4.364 384 2HB LEU 46 2HB LEU 46 -10.360 0.148 -4.709 385 HG LEU 46 HG LEU 46 -8.666 -0.198 -6.421 386 1HD1 LEU 46 1HD1 LEU 46 -11.016 -0.274 -7.139 387 2HD1 LEU 46 2HD1 LEU 46 -9.999 0.371 -8.428 388 3HD1 LEU 46 3HD1 LEU 46 -10.985 1.461 -7.454 389 1HD2 LEU 46 1HD2 LEU 46 -7.297 1.564 -6.813 390 2HD2 LEU 46 2HD2 LEU 46 -8.492 2.730 -6.250 391 3HD2 LEU 46 3HD2 LEU 46 -8.550 2.140 -7.910 392 H LYS 47 H LYS 47 -12.212 1.451 -3.145 393 HA LYS 47 HA LYS 47 -14.374 0.415 -4.830 394 1HB LYS 47 1HB LYS 47 -13.502 -0.040 -2.268 395 2HB LYS 47 2HB LYS 47 -14.908 0.982 -1.969 396 1HG LYS 47 1HG LYS 47 -15.912 -1.111 -2.040 397 2HG LYS 47 2HG LYS 47 -16.052 -0.627 -3.731 398 1HD LYS 47 1HD LYS 47 -15.087 -2.688 -4.055 399 2HD LYS 47 2HD LYS 47 -13.613 -1.743 -3.831 400 1HE LYS 47 1HE LYS 47 -13.490 -2.372 -1.486 401 2HE LYS 47 2HE LYS 47 -15.068 -3.178 -1.580 402 1HZ LYS 47 1HZ LYS 47 -13.216 -4.746 -1.868 403 2HZ LYS 47 2HZ LYS 47 -12.698 -3.876 -3.233 404 3HZ LYS 47 3HZ LYS 47 -14.202 -4.668 -3.246 405 H GLU 48 H GLU 48 -13.756 3.453 -3.047 406 HA GLU 48 HA GLU 48 -16.358 4.529 -2.976 407 1HB GLU 48 1HB GLU 48 -13.597 5.672 -3.245 408 2HB GLU 48 2HB GLU 48 -14.976 6.762 -3.393 409 1HG GLU 48 1HG GLU 48 -15.831 5.928 -1.207 410 2HG GLU 48 2HG GLU 48 -14.388 4.927 -1.052 411 HA PRO 49 HA PRO 49 -17.301 4.949 -7.302 412 1HB PRO 49 1HB PRO 49 -19.419 6.671 -7.132 413 2HB PRO 49 2HB PRO 49 -19.539 4.951 -6.712 414 1HG PRO 49 1HG PRO 49 -19.279 7.319 -4.935 415 2HG PRO 49 2HG PRO 49 -20.225 5.840 -4.715 416 1HD PRO 49 1HD PRO 49 -17.833 6.315 -3.480 417 2HD PRO 49 2HD PRO 49 -18.464 4.691 -3.827 418 H LYS 50 H LYS 50 -17.199 7.954 -5.312 419 HA LYS 50 HA LYS 50 -16.832 9.840 -7.422 420 1HB LYS 50 1HB LYS 50 -17.175 10.224 -4.903 421 2HB LYS 50 2HB LYS 50 -15.440 9.962 -4.732 422 1HG LYS 50 1HG LYS 50 -15.049 11.778 -6.411 423 2HG LYS 50 2HG LYS 50 -16.785 12.093 -6.416 424 1HD LYS 50 1HD LYS 50 -16.782 12.866 -4.199 425 2HD LYS 50 2HD LYS 50 -15.253 12.069 -3.825 426 1HE LYS 50 1HE LYS 50 -14.027 13.653 -5.220 427 2HE LYS 50 2HE LYS 50 -15.545 14.405 -5.749 428 1HZ LYS 50 1HZ LYS 50 -16.045 15.043 -3.531 429 2HZ LYS 50 2HZ LYS 50 -14.448 15.539 -3.829 430 3HZ LYS 50 3HZ LYS 50 -14.750 14.149 -2.900 431 H MET 51 H MET 51 -14.435 7.712 -5.819 432 HA MET 51 HA MET 51 -12.164 8.931 -7.247 433 1HB MET 51 1HB MET 51 -12.423 6.348 -5.686 434 2HB MET 51 2HB MET 51 -10.904 7.086 -6.174 435 1HG MET 51 1HG MET 51 -12.963 8.306 -4.312 436 2HG MET 51 2HG MET 51 -11.415 7.622 -3.831 437 1HE MET 51 1HE MET 51 -9.660 9.185 -6.712 438 2HE MET 51 2HE MET 51 -9.438 8.117 -5.330 439 3HE MET 51 3HE MET 51 -8.775 9.747 -5.287 440 H ALA 52 H ALA 52 -14.354 6.172 -7.818 441 HA ALA 52 HA ALA 52 -12.856 4.594 -9.612 442 1HB ALA 52 1HB ALA 52 -14.952 3.701 -9.241 443 2HB ALA 52 2HB ALA 52 -15.310 4.513 -10.765 444 3HB ALA 52 3HB ALA 52 -15.735 5.282 -9.235 445 H ALA 53 H ALA 53 -14.499 7.709 -10.263 446 HA ALA 53 HA ALA 53 -14.161 7.714 -13.124 447 1HB ALA 53 1HB ALA 53 -15.432 9.317 -11.431 448 2HB ALA 53 2HB ALA 53 -14.855 9.940 -12.975 449 3HB ALA 53 3HB ALA 53 -13.928 10.235 -11.503 450 H SER 54 H SER 54 -11.903 8.611 -10.484 451 HA SER 54 HA SER 54 -9.870 9.452 -12.510 452 1HB SER 54 1HB SER 54 -9.846 9.538 -9.472 453 2HB SER 54 2HB SER 54 -8.682 10.320 -10.538 454 HG SER 54 HG SER 54 -11.414 10.897 -10.125 455 H LEU 55 H LEU 55 -10.328 7.008 -9.911 456 HA LEU 55 HA LEU 55 -7.719 5.850 -9.961 457 1HB LEU 55 1HB LEU 55 -10.469 4.995 -9.208 458 2HB LEU 55 2HB LEU 55 -9.335 3.688 -9.526 459 HG LEU 55 HG LEU 55 -9.322 4.334 -7.149 460 1HD1 LEU 55 1HD1 LEU 55 -6.696 5.376 -8.048 461 2HD1 LEU 55 2HD1 LEU 55 -7.167 3.810 -8.708 462 3HD1 LEU 55 3HD1 LEU 55 -7.065 4.036 -6.962 463 1HD2 LEU 55 1HD2 LEU 55 -8.842 6.494 -6.387 464 2HD2 LEU 55 2HD2 LEU 55 -9.817 6.825 -7.818 465 3HD2 LEU 55 3HD2 LEU 55 -8.061 6.959 -7.900 466 H LEU 56 H LEU 56 -10.574 5.124 -12.015 467 HA LEU 56 HA LEU 56 -8.799 3.424 -13.737 468 1HB LEU 56 1HB LEU 56 -10.845 2.428 -12.698 469 2HB LEU 56 2HB LEU 56 -11.825 3.609 -13.564 470 HG LEU 56 HG LEU 56 -10.001 2.277 -15.396 471 1HD1 LEU 56 1HD1 LEU 56 -11.195 0.035 -15.260 472 2HD1 LEU 56 2HD1 LEU 56 -11.781 0.537 -13.674 473 3HD1 LEU 56 3HD1 LEU 56 -10.050 0.360 -13.959 474 1HD2 LEU 56 1HD2 LEU 56 -12.837 3.037 -15.170 475 2HD2 LEU 56 2HD2 LEU 56 -12.589 1.539 -16.064 476 3HD2 LEU 56 3HD2 LEU 56 -11.790 3.020 -16.588 477 H ASN 57 H ASN 57 -8.735 6.389 -13.951 478 HA ASN 57 HA ASN 57 -10.274 6.894 -16.444 479 1HB ASN 57 1HB ASN 57 -9.687 8.401 -14.198 480 2HB ASN 57 2HB ASN 57 -8.525 9.007 -15.374 481 1HD2 ASN 57 1HD2 ASN 57 -10.722 10.658 -14.470 482 2HD2 ASN 57 2HD2 ASN 57 -11.772 10.891 -15.784 483 HA PRO 58 HA PRO 58 -6.389 5.958 -18.550 484 1HB PRO 58 1HB PRO 58 -7.347 6.217 -21.098 485 2HB PRO 58 2HB PRO 58 -7.581 4.753 -20.121 486 1HG PRO 58 1HG PRO 58 -9.470 6.989 -20.661 487 2HG PRO 58 2HG PRO 58 -9.780 5.247 -20.561 488 1HD PRO 58 1HD PRO 58 -10.352 6.983 -18.545 489 2HD PRO 58 2HD PRO 58 -9.944 5.274 -18.277 490 H TYR 59 H TYR 59 -8.266 8.874 -18.501 491 HA TYR 59 HA TYR 59 -6.529 10.405 -20.312 492 1HB TYR 59 1HB TYR 59 -8.841 11.057 -18.460 493 2HB TYR 59 2HB TYR 59 -8.089 12.239 -19.544 494 HD1 TYR 59 HD1 TYR 59 -10.185 9.213 -19.333 495 HD2 TYR 59 HD2 TYR 59 -8.303 12.027 -21.986 496 HE1 TYR 59 HE1 TYR 59 -11.540 8.349 -21.211 497 HE2 TYR 59 HE2 TYR 59 -9.673 11.163 -23.865 498 HH TYR 59 HH TYR 59 -12.190 9.824 -23.843 499 H VAL 60 H VAL 60 -5.900 9.297 -17.201 500 HA VAL 60 HA VAL 60 -4.727 11.905 -16.313 501 HB VAL 60 HB VAL 60 -5.235 9.316 -14.803 502 1HG1 VAL 60 1HG1 VAL 60 -5.109 11.164 -12.889 503 2HG1 VAL 60 2HG1 VAL 60 -4.097 11.987 -14.077 504 3HG1 VAL 60 3HG1 VAL 60 -3.649 10.383 -13.497 505 1HG2 VAL 60 1HG2 VAL 60 -6.783 11.920 -14.662 506 2HG2 VAL 60 2HG2 VAL 60 -7.196 10.385 -13.899 507 3HG2 VAL 60 3HG2 VAL 60 -7.289 10.552 -15.652 508 H LYS 61 H LYS 61 -3.486 9.911 -18.374 509 HA LYS 61 HA LYS 61 -1.373 8.961 -18.806 510 1HB LYS 61 1HB LYS 61 -1.121 11.402 -17.162 511 2HB LYS 61 2HB LYS 61 0.319 10.384 -17.172 512 1HG LYS 61 1HG LYS 61 0.176 10.338 -19.689 513 2HG LYS 61 2HG LYS 61 -1.120 11.529 -19.580 514 1HD LYS 61 1HD LYS 61 0.446 13.018 -18.295 515 2HD LYS 61 2HD LYS 61 1.736 11.860 -18.625 516 1HE LYS 61 1HE LYS 61 1.977 13.416 -20.387 517 2HE LYS 61 2HE LYS 61 0.979 12.152 -21.134 518 1HZ LYS 61 1HZ LYS 61 -0.115 14.218 -21.501 519 2HZ LYS 61 2HZ LYS 61 0.044 14.671 -19.871 520 3HZ LYS 61 3HZ LYS 61 -0.996 13.399 -20.305 521 H ARG 62 H ARG 62 0.830 8.288 -17.349 522 HA ARG 62 HA ARG 62 -0.261 6.532 -15.171 523 1HB ARG 62 1HB ARG 62 0.852 5.720 -17.433 524 2HB ARG 62 2HB ARG 62 2.353 6.093 -16.586 525 1HG ARG 62 1HG ARG 62 0.264 4.476 -15.168 526 2HG ARG 62 2HG ARG 62 1.269 3.687 -16.384 527 1HD ARG 62 1HD ARG 62 2.721 5.403 -14.433 528 2HD ARG 62 2HD ARG 62 2.035 3.896 -13.795 529 HE ARG 62 HE ARG 62 3.209 2.742 -15.739 530 1HH1 ARG 62 1HH2 ARG 62 4.156 5.227 -17.113 531 2HH1 ARG 62 2HH2 ARG 62 5.797 5.342 -16.571 532 1HH2 ARG 62 1HH1 ARG 62 5.357 3.137 -13.931 533 2HH2 ARG 62 2HH1 ARG 62 6.476 4.159 -14.769 534 H SER 63 H SER 63 2.827 8.172 -16.122 535 HA SER 63 HA SER 63 3.992 8.115 -13.493 536 1HB SER 63 1HB SER 63 4.386 9.704 -16.009 537 2HB SER 63 2HB SER 63 5.189 10.260 -14.544 538 HG SER 63 HG SER 63 6.320 8.402 -14.450 539 H VAL 64 H VAL 64 1.908 10.573 -15.086 540 HA VAL 64 HA VAL 64 2.057 12.568 -13.020 541 HB VAL 64 HB VAL 64 -0.245 11.847 -14.879 542 1HG1 VAL 64 1HG1 VAL 64 -0.913 13.331 -13.003 543 2HG1 VAL 64 2HG1 VAL 64 -0.959 14.175 -14.551 544 3HG1 VAL 64 3HG1 VAL 64 0.384 14.445 -13.440 545 1HG2 VAL 64 1HG2 VAL 64 1.540 12.337 -16.309 546 2HG2 VAL 64 2HG2 VAL 64 2.265 13.476 -15.175 547 3HG2 VAL 64 3HG2 VAL 64 0.823 13.932 -16.081 548 H LYS 65 H LYS 65 -0.068 9.687 -13.355 549 HA LYS 65 HA LYS 65 -1.835 10.215 -11.170 550 1HB LYS 65 1HB LYS 65 -1.834 8.323 -12.950 551 2HB LYS 65 2HB LYS 65 -0.762 7.467 -11.841 552 1HG LYS 65 1HG LYS 65 -2.400 7.284 -10.184 553 2HG LYS 65 2HG LYS 65 -3.329 8.644 -10.816 554 1HD LYS 65 1HD LYS 65 -2.971 6.105 -12.409 555 2HD LYS 65 2HD LYS 65 -4.276 6.281 -11.236 556 1HE LYS 65 1HE LYS 65 -5.310 8.015 -12.457 557 2HE LYS 65 2HE LYS 65 -3.828 8.382 -13.362 558 1HZ LYS 65 1HZ LYS 65 -5.453 5.902 -13.551 559 2HZ LYS 65 2HZ LYS 65 -3.948 6.120 -14.306 560 3HZ LYS 65 3HZ LYS 65 -5.273 7.084 -14.753 561 H VAL 66 H VAL 66 1.442 8.741 -11.173 562 HA VAL 66 HA VAL 66 1.465 7.960 -8.395 563 HB VAL 66 HB VAL 66 3.753 8.877 -10.185 564 1HG1 VAL 66 1HG1 VAL 66 3.656 7.339 -7.579 565 2HG1 VAL 66 2HG1 VAL 66 4.544 8.824 -7.926 566 3HG1 VAL 66 3HG1 VAL 66 5.056 7.301 -8.651 567 1HG2 VAL 66 1HG2 VAL 66 2.952 7.054 -11.352 568 2HG2 VAL 66 2HG2 VAL 66 2.197 6.344 -9.925 569 3HG2 VAL 66 3HG2 VAL 66 3.937 6.199 -10.165 570 H LYS 67 H LYS 67 2.423 11.033 -10.003 571 HA LYS 67 HA LYS 67 3.401 12.385 -7.668 572 1HB LYS 67 1HB LYS 67 3.545 13.117 -10.102 573 2HB LYS 67 2HB LYS 67 1.863 13.633 -9.970 574 1HG LYS 67 1HG LYS 67 2.424 15.199 -8.203 575 2HG LYS 67 2HG LYS 67 4.085 14.606 -8.152 576 1HD LYS 67 1HD LYS 67 4.304 15.301 -10.577 577 2HD LYS 67 2HD LYS 67 2.736 16.094 -10.419 578 1HE LYS 67 1HE LYS 67 3.926 17.159 -8.258 579 2HE LYS 67 2HE LYS 67 5.371 16.869 -9.249 580 1HZ LYS 67 1HZ LYS 67 4.362 19.012 -9.781 581 2HZ LYS 67 2HZ LYS 67 2.897 18.241 -10.165 582 3HZ LYS 67 3HZ LYS 67 4.281 17.959 -11.107 583 H SER 68 H SER 68 0.056 12.053 -8.938 584 HA SER 68 HA SER 68 -1.247 13.875 -7.163 585 1HB SER 68 1HB SER 68 -2.098 12.385 -9.179 586 2HB SER 68 2HB SER 68 -2.502 11.241 -7.902 587 HG SER 68 HG SER 68 -3.858 12.724 -7.010 588 H LEU 69 H LEU 69 -0.227 10.473 -6.622 589 HA LEU 69 HA LEU 69 -1.589 10.043 -4.135 590 1HB LEU 69 1HB LEU 69 0.888 8.970 -5.457 591 2HB LEU 69 2HB LEU 69 0.582 8.543 -3.774 592 HG LEU 69 HG LEU 69 -1.403 8.160 -6.035 593 1HD1 LEU 69 1HD1 LEU 69 0.736 6.439 -4.876 594 2HD1 LEU 69 2HD1 LEU 69 0.085 6.473 -6.515 595 3HD1 LEU 69 3HD1 LEU 69 -0.810 5.666 -5.227 596 1HD2 LEU 69 1HD2 LEU 69 -1.485 7.858 -3.082 597 2HD2 LEU 69 2HD2 LEU 69 -2.180 6.523 -4.001 598 3HD2 LEU 69 3HD2 LEU 69 -2.798 8.161 -4.219 599 H SER 70 H SER 70 1.678 11.430 -4.770 600 HA SER 70 HA SER 70 2.397 11.855 -2.017 601 1HB SER 70 1HB SER 70 3.756 12.102 -4.257 602 2HB SER 70 2HB SER 70 3.168 13.762 -4.228 603 HG SER 70 HG SER 70 4.806 12.402 -2.373 604 H ASP 71 H ASP 71 0.667 13.987 -4.346 605 HA ASP 71 HA ASP 71 0.347 16.179 -2.459 606 1HB ASP 71 1HB ASP 71 0.029 15.923 -5.123 607 2HB ASP 71 2HB ASP 71 -1.655 15.732 -4.634 608 H MET 72 H MET 72 -1.398 13.133 -2.883 609 HA MET 72 HA MET 72 -3.737 14.109 -1.324 610 1HB MET 72 1HB MET 72 -3.768 12.402 -3.280 611 2HB MET 72 2HB MET 72 -3.072 11.258 -2.132 612 1HG MET 72 1HG MET 72 -5.025 11.882 -0.581 613 2HG MET 72 2HG MET 72 -5.758 12.635 -1.997 614 1HE MET 72 1HE MET 72 -5.438 8.981 -0.200 615 2HE MET 72 2HE MET 72 -3.944 9.830 -0.593 616 3HE MET 72 3HE MET 72 -4.375 8.366 -1.474 617 H THR 73 H THR 73 -0.988 11.823 -1.039 618 HA THR 73 HA THR 73 -1.434 10.994 1.668 619 HB THR 73 HB THR 73 0.904 11.194 -0.232 620 HG1 THR 73 HG1 THR 73 -0.371 9.436 -0.468 621 1HG2 THR 73 1HG2 THR 73 1.099 10.846 2.716 622 2HG2 THR 73 2HG2 THR 73 2.255 11.536 1.577 623 3HG2 THR 73 3HG2 THR 73 2.082 9.785 1.704 624 H ALA 74 H ALA 74 0.213 13.904 0.313 625 HA ALA 74 HA ALA 74 1.304 14.909 2.778 626 1HB ALA 74 1HB ALA 74 1.686 15.726 0.377 627 2HB ALA 74 2HB ALA 74 1.498 16.994 1.589 628 3HB ALA 74 3HB ALA 74 0.153 16.585 0.525 629 H LYS 75 H LYS 75 -1.956 15.300 1.314 630 HA LYS 75 HA LYS 75 -2.864 16.992 3.573 631 1HB LYS 75 1HB LYS 75 -3.569 17.117 1.078 632 2HB LYS 75 2HB LYS 75 -4.586 15.720 1.435 633 1HG LYS 75 1HG LYS 75 -6.019 16.927 2.762 634 2HG LYS 75 2HG LYS 75 -4.748 18.009 3.330 635 1HD LYS 75 1HD LYS 75 -4.889 19.385 1.453 636 2HD LYS 75 2HD LYS 75 -5.585 18.111 0.449 637 1HE LYS 75 1HE LYS 75 -7.196 18.935 2.815 638 2HE LYS 75 2HE LYS 75 -7.096 20.096 1.478 639 1HZ LYS 75 1HZ LYS 75 -7.781 17.216 1.211 640 2HZ LYS 75 2HZ LYS 75 -7.679 18.336 -0.064 641 3HZ LYS 75 3HZ LYS 75 -8.889 18.497 1.119 642 H GLU 76 H GLU 76 -3.191 13.588 2.493 643 HA GLU 76 HA GLU 76 -5.236 12.870 4.425 644 1HB GLU 76 1HB GLU 76 -4.516 11.644 2.291 645 2HB GLU 76 2HB GLU 76 -3.159 11.024 3.233 646 1HG GLU 76 1HG GLU 76 -4.771 9.345 3.516 647 2HG GLU 76 2HG GLU 76 -4.995 10.334 4.960 648 H LYS 77 H LYS 77 -1.830 13.522 4.892 649 HA LYS 77 HA LYS 77 -0.453 13.255 6.767 650 1HB LYS 77 1HB LYS 77 -3.259 13.358 7.736 651 2HB LYS 77 2HB LYS 77 -2.094 12.693 8.878 652 1HG LYS 77 1HG LYS 77 -0.657 14.791 8.137 653 2HG LYS 77 2HG LYS 77 -2.237 15.444 7.702 654 1HD LYS 77 1HD LYS 77 -1.941 14.138 10.377 655 2HD LYS 77 2HD LYS 77 -1.260 15.750 10.157 656 1HE LYS 77 1HE LYS 77 -3.394 16.675 9.560 657 2HE LYS 77 2HE LYS 77 -4.119 15.062 9.406 658 1HZ LYS 77 1HZ LYS 77 -3.025 16.283 11.885 659 2HZ LYS 77 2HZ LYS 77 -3.553 14.672 11.759 660 3HZ LYS 77 3HZ LYS 77 -4.656 15.949 11.562 661 H PHE 78 H PHE 78 -0.607 10.983 5.133 662 HA PHE 78 HA PHE 78 -1.413 8.545 6.385 663 1HB PHE 78 1HB PHE 78 0.416 9.369 4.209 664 2HB PHE 78 2HB PHE 78 0.843 7.835 4.961 665 HD1 PHE 78 HD1 PHE 78 -0.888 9.079 2.280 666 HD2 PHE 78 HD2 PHE 78 -1.507 6.489 5.653 667 HE1 PHE 78 HE1 PHE 78 -2.754 7.965 1.082 668 HE2 PHE 78 HE2 PHE 78 -3.377 5.379 4.453 669 HZ PHE 78 HZ PHE 78 -3.998 6.112 2.170 670 H SER 79 H SER 79 0.668 6.842 6.861 671 HA SER 79 HA SER 79 1.961 8.068 9.243 672 1HB SER 79 1HB SER 79 2.082 5.148 8.823 673 2HB SER 79 2HB SER 79 1.576 6.049 10.245 674 HG SER 79 HG SER 79 -0.066 4.798 9.002 675 HA PRO 80 HA PRO 80 5.969 7.411 7.599 676 1HB PRO 80 1HB PRO 80 7.336 5.721 9.241 677 2HB PRO 80 2HB PRO 80 6.950 7.399 9.661 678 1HG PRO 80 1HG PRO 80 5.639 4.884 10.531 679 2HG PRO 80 2HG PRO 80 5.953 6.369 11.441 680 1HD PRO 80 1HD PRO 80 3.531 5.706 10.391 681 2HD PRO 80 2HD PRO 80 4.045 7.377 10.702 682 H LEU 81 H LEU 81 3.985 4.540 7.869 683 HA LEU 81 HA LEU 81 5.817 3.127 5.968 684 1HB LEU 81 1HB LEU 81 4.060 2.324 8.240 685 2HB LEU 81 2HB LEU 81 4.106 1.233 6.845 686 HG LEU 81 HG LEU 81 6.770 2.213 7.651 687 1HD1 LEU 81 1HD1 LEU 81 6.927 0.774 9.641 688 2HD1 LEU 81 2HD1 LEU 81 5.210 0.400 9.510 689 3HD1 LEU 81 3HD1 LEU 81 5.727 2.045 9.879 690 1HD2 LEU 81 1HD2 LEU 81 7.045 -0.402 7.621 691 2HD2 LEU 81 2HD2 LEU 81 6.785 0.458 6.103 692 3HD2 LEU 81 3HD2 LEU 81 5.442 -0.376 6.886 693 H THR 82 H THR 82 3.526 5.230 5.446 694 HA THR 82 HA THR 82 2.045 3.454 3.569 695 HB THR 82 HB THR 82 0.640 5.767 4.861 696 HG1 THR 82 HG1 THR 82 0.296 4.549 6.698 697 1HG2 THR 82 1HG2 THR 82 -0.877 3.426 4.927 698 2HG2 THR 82 2HG2 THR 82 0.064 3.250 3.450 699 3HG2 THR 82 3HG2 THR 82 -0.957 4.664 3.677 700 H SER 83 H SER 83 4.341 5.628 3.304 701 HA SER 83 HA SER 83 2.964 7.079 1.081 702 1HB SER 83 1HB SER 83 4.249 9.039 1.649 703 2HB SER 83 2HB SER 83 3.636 8.430 3.184 704 HG SER 83 HG SER 83 5.833 8.836 3.378 705 H ASN 84 H ASN 84 4.247 4.524 0.987 706 HA ASN 84 HA ASN 84 6.384 5.059 -1.022 707 1HB ASN 84 1HB ASN 84 6.630 3.778 1.647 708 2HB ASN 84 2HB ASN 84 7.321 2.838 0.324 709 1HD2 ASN 84 1HD2 ASN 84 8.005 5.400 2.496 710 2HD2 ASN 84 2HD2 ASN 84 9.341 6.045 1.670 711 H LEU 85 H LEU 85 4.767 2.370 0.765 712 HA LEU 85 HA LEU 85 4.388 0.641 -1.496 713 1HB LEU 85 1HB LEU 85 4.096 -0.172 0.786 714 2HB LEU 85 2HB LEU 85 2.861 1.037 1.119 715 HG LEU 85 HG LEU 85 1.376 -0.031 -0.557 716 1HD1 LEU 85 1HD1 LEU 85 3.481 -2.206 -0.709 717 2HD1 LEU 85 2HD1 LEU 85 3.284 -0.956 -1.938 718 3HD1 LEU 85 3HD1 LEU 85 1.981 -2.104 -1.630 719 1HD2 LEU 85 1HD2 LEU 85 2.193 -2.360 1.097 720 2HD2 LEU 85 2HD2 LEU 85 0.619 -1.579 0.955 721 3HD2 LEU 85 3HD2 LEU 85 1.865 -0.871 1.982 722 H ILE 86 H ILE 86 2.634 3.579 -0.383 723 HA ILE 86 HA ILE 86 0.225 3.192 -1.883 724 HB ILE 86 HB ILE 86 0.624 4.953 -0.134 725 1HG1 ILE 86 1HG1 ILE 86 -0.118 6.511 -2.556 726 2HG1 ILE 86 2HG1 ILE 86 -1.047 5.043 -2.250 727 1HG2 ILE 86 1HG2 ILE 86 2.916 5.590 -1.066 728 2HG2 ILE 86 2HG2 ILE 86 1.870 6.937 -0.620 729 3HG2 ILE 86 3HG2 ILE 86 2.055 6.489 -2.316 730 1HD1 ILE 86 1HD1 ILE 86 -1.951 5.856 -0.293 731 2HD1 ILE 86 2HD1 ILE 86 -1.722 7.383 -1.147 732 3HD1 ILE 86 3HD1 ILE 86 -0.545 6.863 0.061 733 H ASN 87 H ASN 87 3.417 4.500 -2.873 734 HA ASN 87 HA ASN 87 2.543 5.317 -5.529 735 1HB ASN 87 1HB ASN 87 5.224 4.630 -4.280 736 2HB ASN 87 2HB ASN 87 5.081 5.130 -5.966 737 1HD2 ASN 87 1HD2 ASN 87 6.321 6.613 -3.574 738 2HD2 ASN 87 2HD2 ASN 87 5.517 8.109 -3.554 739 H LEU 88 H LEU 88 4.089 2.344 -4.230 740 HA LEU 88 HA LEU 88 4.407 0.860 -6.623 741 1HB LEU 88 1HB LEU 88 3.970 0.254 -3.738 742 2HB LEU 88 2HB LEU 88 3.661 -1.071 -4.858 743 HG LEU 88 HG LEU 88 6.178 0.547 -5.127 744 1HD1 LEU 88 1HD1 LEU 88 5.503 -1.493 -3.034 745 2HD1 LEU 88 2HD1 LEU 88 6.489 -0.038 -2.895 746 3HD1 LEU 88 3HD1 LEU 88 7.134 -1.466 -3.704 747 1HD2 LEU 88 1HD2 LEU 88 5.127 -1.408 -6.655 748 2HD2 LEU 88 2HD2 LEU 88 5.997 -2.405 -5.490 749 3HD2 LEU 88 3HD2 LEU 88 6.867 -1.208 -6.448 750 H LEU 89 H LEU 89 1.464 1.219 -4.580 751 HA LEU 89 HA LEU 89 -0.191 -0.604 -6.078 752 1HB LEU 89 1HB LEU 89 -0.744 1.832 -4.364 753 2HB LEU 89 2HB LEU 89 -2.053 0.897 -5.090 754 HG LEU 89 HG LEU 89 0.122 -0.315 -3.363 755 1HD1 LEU 89 1HD1 LEU 89 -1.178 -0.003 -1.491 756 2HD1 LEU 89 2HD1 LEU 89 -2.688 -0.087 -2.397 757 3HD1 LEU 89 3HD1 LEU 89 -1.739 1.400 -2.401 758 1HD2 LEU 89 1HD2 LEU 89 -1.686 -2.143 -3.249 759 2HD2 LEU 89 2HD2 LEU 89 -0.826 -1.971 -4.781 760 3HD2 LEU 89 3HD2 LEU 89 -2.451 -1.309 -4.602 761 H ALA 90 H ALA 90 0.491 2.894 -6.514 762 HA ALA 90 HA ALA 90 -1.104 2.807 -9.048 763 1HB ALA 90 1HB ALA 90 -0.053 5.398 -8.189 764 2HB ALA 90 2HB ALA 90 -0.972 4.604 -6.909 765 3HB ALA 90 3HB ALA 90 -1.724 4.912 -8.474 766 H GLU 91 H GLU 91 1.747 1.691 -8.695 767 HA GLU 91 HA GLU 91 3.292 3.641 -10.358 768 1HB GLU 91 1HB GLU 91 3.917 1.907 -8.237 769 2HB GLU 91 2HB GLU 91 4.626 1.136 -9.651 770 1HG GLU 91 1HG GLU 91 5.905 3.089 -10.189 771 2HG GLU 91 2HG GLU 91 5.027 4.066 -9.012 772 H ASN 92 H ASN 92 2.260 0.174 -10.414 773 HA ASN 92 HA ASN 92 2.807 0.209 -13.367 774 1HB ASN 92 1HB ASN 92 3.005 -1.865 -11.192 775 2HB ASN 92 2HB ASN 92 2.848 -2.361 -12.877 776 1HD2 ASN 92 1HD2 ASN 92 5.274 -2.574 -11.023 777 2HD2 ASN 92 2HD2 ASN 92 6.511 -1.762 -11.854 778 H GLY 93 H GLY 93 0.217 1.083 -12.028 779 1HA GLY 93 1HA GLY 93 -2.042 0.845 -12.632 780 2HA GLY 93 2HA GLY 93 -1.579 -0.498 -13.682 781 H ARG 94 H ARG 94 -1.136 -0.020 -10.138 782 HA ARG 94 HA ARG 94 -2.387 -2.710 -9.779 783 1HB ARG 94 1HB ARG 94 -0.073 -1.345 -8.736 784 2HB ARG 94 2HB ARG 94 -1.143 -1.753 -7.397 785 1HG ARG 94 1HG ARG 94 -0.175 -3.803 -7.496 786 2HG ARG 94 2HG ARG 94 -1.214 -4.061 -8.897 787 1HD ARG 94 1HD ARG 94 1.357 -2.630 -9.399 788 2HD ARG 94 2HD ARG 94 1.453 -4.369 -9.053 789 HE ARG 94 HE ARG 94 -0.211 -3.190 -11.244 790 1HH1 ARG 94 1HH2 ARG 94 2.261 -4.617 -12.019 791 2HH1 ARG 94 2HH2 ARG 94 1.699 -6.227 -12.315 792 1HH2 ARG 94 1HH1 ARG 94 -1.297 -5.776 -10.628 793 2HH2 ARG 94 2HH1 ARG 94 -0.315 -6.885 -11.527 794 H LEU 95 H LEU 95 -4.049 -0.235 -10.116 795 HA LEU 95 HA LEU 95 -5.148 0.057 -7.341 796 1HB LEU 95 1HB LEU 95 -5.315 1.680 -9.893 797 2HB LEU 95 2HB LEU 95 -6.385 1.992 -8.527 798 HG LEU 95 HG LEU 95 -3.368 1.904 -8.280 799 1HD1 LEU 95 1HD1 LEU 95 -3.500 3.828 -9.516 800 2HD1 LEU 95 2HD1 LEU 95 -3.987 4.520 -7.970 801 3HD1 LEU 95 3HD1 LEU 95 -5.209 4.066 -9.157 802 1HD2 LEU 95 1HD2 LEU 95 -4.059 3.337 -6.215 803 2HD2 LEU 95 2HD2 LEU 95 -4.318 1.594 -6.143 804 3HD2 LEU 95 3HD2 LEU 95 -5.671 2.672 -6.488 805 H THR 96 H THR 96 -5.601 -2.314 -9.217 806 HA THR 96 HA THR 96 -8.569 -2.078 -9.583 807 HB THR 96 HB THR 96 -8.232 -4.014 -11.112 808 HG1 THR 96 HG1 THR 96 -6.187 -4.805 -11.434 809 1HG2 THR 96 1HG2 THR 96 -6.363 -2.705 -12.571 810 2HG2 THR 96 2HG2 THR 96 -6.813 -1.431 -11.440 811 3HG2 THR 96 3HG2 THR 96 -8.043 -2.179 -12.459 812 H ASN 97 H ASN 97 -6.000 -4.409 -8.564 813 HA ASN 97 HA ASN 97 -7.955 -5.647 -6.670 814 1HB ASN 97 1HB ASN 97 -5.255 -6.543 -7.752 815 2HB ASN 97 2HB ASN 97 -6.274 -7.496 -6.671 816 1HD2 ASN 97 1HD2 ASN 97 -5.749 -6.622 -10.016 817 2HD2 ASN 97 2HD2 ASN 97 -7.102 -7.435 -10.643 818 H THR 98 H THR 98 -6.692 -2.995 -6.121 819 HA THR 98 HA THR 98 -4.408 -3.391 -4.407 820 HB THR 98 HB THR 98 -4.992 -1.268 -5.574 821 HG1 THR 98 HG1 THR 98 -4.223 -0.032 -3.933 822 1HG2 THR 98 1HG2 THR 98 -6.645 0.224 -4.381 823 2HG2 THR 98 2HG2 THR 98 -7.176 -1.197 -3.482 824 3HG2 THR 98 3HG2 THR 98 -7.369 -1.139 -5.233 825 HA PRO 99 HA PRO 99 -7.577 -3.168 -0.798 826 1HB PRO 99 1HB PRO 99 -9.917 -4.548 -1.154 827 2HB PRO 99 2HB PRO 99 -9.763 -2.802 -1.435 828 1HG PRO 99 1HG PRO 99 -9.761 -5.041 -3.391 829 2HG PRO 99 2HG PRO 99 -10.501 -3.437 -3.510 830 1HD PRO 99 1HD PRO 99 -8.189 -4.095 -4.734 831 2HD PRO 99 2HD PRO 99 -8.559 -2.449 -4.204 832 H ALA 100 H ALA 100 -7.607 -6.010 -3.000 833 HA ALA 100 HA ALA 100 -7.692 -8.093 -1.045 834 1HB ALA 100 1HB ALA 100 -5.979 -8.101 -3.552 835 2HB ALA 100 2HB ALA 100 -7.736 -8.254 -3.603 836 3HB ALA 100 3HB ALA 100 -6.768 -9.479 -2.783 837 H VAL 101 H VAL 101 -4.926 -6.092 -2.156 838 HA VAL 101 HA VAL 101 -2.830 -7.561 -0.851 839 HB VAL 101 HB VAL 101 -3.104 -4.572 -1.370 840 1HG1 VAL 101 1HG1 VAL 101 -0.776 -6.322 -0.587 841 2HG1 VAL 101 2HG1 VAL 101 -1.266 -4.770 0.091 842 3HG1 VAL 101 3HG1 VAL 101 -0.518 -4.839 -1.505 843 1HG2 VAL 101 1HG2 VAL 101 -2.560 -4.972 -3.543 844 2HG2 VAL 101 2HG2 VAL 101 -3.114 -6.614 -3.219 845 3HG2 VAL 101 3HG2 VAL 101 -1.398 -6.228 -3.118 846 H ILE 102 H ILE 102 -4.994 -4.966 0.377 847 HA ILE 102 HA ILE 102 -3.718 -4.670 2.946 848 HB ILE 102 HB ILE 102 -6.621 -4.285 2.109 849 1HG1 ILE 102 1HG1 ILE 102 -4.737 -2.015 2.521 850 2HG1 ILE 102 2HG1 ILE 102 -4.473 -2.999 1.083 851 1HG2 ILE 102 1HG2 ILE 102 -6.688 -4.260 4.461 852 2HG2 ILE 102 2HG2 ILE 102 -6.448 -2.559 4.059 853 3HG2 ILE 102 3HG2 ILE 102 -5.083 -3.540 4.592 854 1HD1 ILE 102 1HD1 ILE 102 -6.079 -1.730 0.116 855 2HD1 ILE 102 2HD1 ILE 102 -6.623 -1.092 1.668 856 3HD1 ILE 102 3HD1 ILE 102 -7.224 -2.647 1.094 857 H SER 103 H SER 103 -6.269 -6.935 1.802 858 HA SER 103 HA SER 103 -6.975 -8.051 4.349 859 1HB SER 103 1HB SER 103 -8.145 -8.465 2.165 860 2HB SER 103 2HB SER 103 -6.784 -9.461 1.658 861 HG SER 103 HG SER 103 -8.355 -10.782 2.551 862 H ALA 104 H ALA 104 -4.413 -9.060 2.022 863 HA ALA 104 HA ALA 104 -3.389 -11.281 3.504 864 1HB ALA 104 1HB ALA 104 -2.143 -9.258 1.631 865 2HB ALA 104 2HB ALA 104 -2.562 -10.938 1.301 866 3HB ALA 104 3HB ALA 104 -1.181 -10.560 2.331 867 H PHE 105 H PHE 105 -2.838 -7.775 3.945 868 HA PHE 105 HA PHE 105 -0.625 -7.886 5.759 869 1HB PHE 105 1HB PHE 105 -1.830 -5.874 4.620 870 2HB PHE 105 2HB PHE 105 -2.959 -5.954 5.968 871 HD1 PHE 105 HD1 PHE 105 -0.105 -4.350 4.830 872 HD2 PHE 105 HD2 PHE 105 -1.653 -6.208 8.376 873 HE1 PHE 105 HE1 PHE 105 1.479 -3.046 6.206 874 HE2 PHE 105 HE2 PHE 105 -0.079 -4.898 9.741 875 HZ PHE 105 HZ PHE 105 1.490 -3.327 8.661 876 H SER 106 H SER 106 -4.159 -7.824 6.475 877 HA SER 106 HA SER 106 -3.846 -8.129 9.326 878 1HB SER 106 1HB SER 106 -6.048 -8.599 7.330 879 2HB SER 106 2HB SER 106 -6.271 -9.143 8.991 880 HG SER 106 HG SER 106 -5.821 -6.534 8.001 881 H THR 107 H THR 107 -3.883 -10.547 6.690 882 HA THR 107 HA THR 107 -4.180 -12.818 8.502 883 HB THR 107 HB THR 107 -2.841 -13.160 5.858 884 HG1 THR 107 HG1 THR 107 -4.650 -12.577 4.733 885 1HG2 THR 107 1HG2 THR 107 -5.136 -14.418 7.365 886 2HG2 THR 107 2HG2 THR 107 -3.584 -15.140 6.942 887 3HG2 THR 107 3HG2 THR 107 -4.782 -14.829 5.686 888 H MET 108 H MET 108 -1.311 -11.293 6.881 889 HA MET 108 HA MET 108 0.495 -13.193 8.214 890 1HB MET 108 1HB MET 108 0.942 -11.862 6.057 891 2HB MET 108 2HB MET 108 1.244 -10.478 7.109 892 1HG MET 108 1HG MET 108 3.368 -11.242 7.315 893 2HG MET 108 2HG MET 108 2.704 -12.527 8.316 894 1HE MET 108 1HE MET 108 5.034 -14.076 7.364 895 2HE MET 108 2HE MET 108 5.267 -12.415 6.826 896 3HE MET 108 3HE MET 108 5.481 -13.741 5.685 897 H MET 109 H MET 109 -0.847 -9.963 8.959 898 HA MET 109 HA MET 109 0.899 -9.200 11.075 899 1HB MET 109 1HB MET 109 -0.908 -7.768 10.167 900 2HB MET 109 2HB MET 109 -2.125 -8.868 10.811 901 1HG MET 109 1HG MET 109 -1.474 -8.365 13.085 902 2HG MET 109 2HG MET 109 -0.084 -7.432 12.531 903 1HE MET 109 1HE MET 109 -3.035 -6.648 14.389 904 2HE MET 109 2HE MET 109 -2.635 -4.947 14.163 905 3HE MET 109 3HE MET 109 -1.350 -6.114 14.467 906 H SER 110 H SER 110 -1.923 -11.478 11.095 907 HA SER 110 HA SER 110 -1.951 -11.949 13.940 908 1HB SER 110 1HB SER 110 -2.624 -13.682 11.543 909 2HB SER 110 2HB SER 110 -2.877 -14.237 13.195 910 HG SER 110 HG SER 110 -4.075 -12.087 11.814 911 H VAL 111 H VAL 111 0.244 -13.203 11.417 912 HA VAL 111 HA VAL 111 1.452 -15.185 13.223 913 HB VAL 111 HB VAL 111 2.381 -14.044 10.562 914 1HG1 VAL 111 1HG1 VAL 111 4.266 -15.098 11.531 915 2HG1 VAL 111 2HG1 VAL 111 3.554 -16.352 10.516 916 3HG1 VAL 111 3HG1 VAL 111 3.286 -16.372 12.259 917 1HG2 VAL 111 1HG2 VAL 111 1.229 -15.829 9.519 918 2HG2 VAL 111 2HG2 VAL 111 0.091 -15.255 10.738 919 3HG2 VAL 111 3HG2 VAL 111 1.042 -16.708 11.036 920 H HIS 112 H HIS 112 1.818 -11.732 12.918 921 HA HIS 112 HA HIS 112 4.635 -11.747 13.749 922 1HB HIS 112 1HB HIS 112 4.579 -9.600 12.977 923 2HB HIS 112 2HB HIS 112 3.037 -10.060 12.276 924 HD1 HIS 112 HD1 HIS 112 0.951 -9.700 14.213 925 HD2 HIS 112 HD2 HIS 112 4.345 -7.361 14.427 926 HE1 HIS 112 HE1 HIS 112 0.343 -7.724 15.659 927 H ARG 113 H ARG 113 1.439 -11.678 15.296 928 HA ARG 113 HA ARG 113 2.562 -10.632 17.836 929 1HB ARG 113 1HB ARG 113 0.200 -10.230 16.788 930 2HB ARG 113 2HB ARG 113 -0.185 -11.822 17.444 931 1HG ARG 113 1HG ARG 113 -0.076 -11.103 19.624 932 2HG ARG 113 2HG ARG 113 1.170 -9.905 19.277 933 1HD ARG 113 1HD ARG 113 -0.379 -8.303 18.566 934 2HD ARG 113 2HD ARG 113 -1.597 -9.525 18.148 935 HE ARG 113 HE ARG 113 -1.909 -9.912 20.588 936 1HH1 ARG 113 1HH1 ARG 113 0.745 -7.964 20.533 937 2HH1 ARG 113 2HH1 ARG 113 0.117 -6.727 21.570 938 1HH2 ARG 113 1HH2 ARG 113 -3.125 -7.957 21.515 939 2HH2 ARG 113 2HH2 ARG 113 -2.074 -6.724 22.126 940 H GLY 114 H GLY 114 1.483 -13.776 16.465 941 1HA GLY 114 1HA GLY 114 2.185 -15.074 19.056 942 2HA GLY 114 2HA GLY 114 1.224 -15.815 17.776 943 H GLU 115 H GLU 115 4.375 -14.106 17.471 944 HA GLU 115 HA GLU 115 5.783 -16.662 16.991 945 1HB GLU 115 1HB GLU 115 4.432 -15.900 14.912 946 2HB GLU 115 2HB GLU 115 5.640 -14.622 14.768 947 1HG GLU 115 1HG GLU 115 7.405 -16.467 14.888 948 2HG GLU 115 2HG GLU 115 6.082 -17.611 14.656 949 H VAL 116 H VAL 116 6.459 -14.898 19.006 950 HA VAL 116 HA VAL 116 8.955 -13.630 17.947 951 HB VAL 116 HB VAL 116 7.191 -11.934 18.245 952 1HG1 VAL 116 1HG1 VAL 116 5.771 -13.027 19.866 953 2HG1 VAL 116 2HG1 VAL 116 6.339 -11.519 20.582 954 3HG1 VAL 116 3HG1 VAL 116 7.069 -13.052 21.060 955 1HG2 VAL 116 1HG2 VAL 116 9.389 -11.129 18.730 956 2HG2 VAL 116 2HG2 VAL 116 9.417 -11.939 20.296 957 3HG2 VAL 116 3HG2 VAL 116 8.367 -10.546 20.042 958 HA PRO 117 HA PRO 117 10.672 -15.912 21.344 959 1HB PRO 117 1HB PRO 117 13.085 -14.647 21.578 960 2HB PRO 117 2HB PRO 117 12.716 -15.787 20.270 961 1HG PRO 117 1HG PRO 117 12.749 -12.814 20.236 962 2HG PRO 117 2HG PRO 117 13.261 -13.964 18.991 963 1HD PRO 117 1HD PRO 117 10.886 -12.615 18.928 964 2HD PRO 117 2HD PRO 117 11.153 -14.187 18.144 965 H CYS 118 H CYS 118 12.146 -15.086 23.489 966 HA CYS 118 HA CYS 118 10.530 -12.849 24.673 967 1HB CYS 118 1HB CYS 118 11.628 -15.455 25.735 968 2HB CYS 118 2HB CYS 118 11.134 -14.159 26.825 969 HG CYS 118 HG CYS 118 9.211 -15.738 24.951 970 H THR 119 H THR 119 11.719 -11.105 25.512 971 HA THR 119 HA THR 119 14.623 -11.516 26.082 972 HB THR 119 HB THR 119 14.717 -9.143 24.835 973 HG1 THR 119 HG1 THR 119 13.212 -8.982 23.275 974 1HG2 THR 119 1HG2 THR 119 16.117 -10.898 24.094 975 2HG2 THR 119 2HG2 THR 119 15.134 -10.504 22.684 976 3HG2 THR 119 3HG2 THR 119 14.747 -11.920 23.660 977 H VAL 120 H VAL 120 15.418 -10.069 27.733 978 HA VAL 120 HA VAL 120 13.403 -8.165 28.877 979 HB VAL 120 HB VAL 120 13.434 -10.298 30.117 980 1HG1 VAL 120 1HG1 VAL 120 16.401 -9.723 30.298 981 2HG1 VAL 120 2HG1 VAL 120 15.620 -11.147 29.614 982 3HG1 VAL 120 3HG1 VAL 120 15.582 -10.873 31.355 983 1HG2 VAL 120 1HG2 VAL 120 14.894 -8.127 31.652 984 2HG2 VAL 120 2HG2 VAL 120 13.877 -9.395 32.336 985 3HG2 VAL 120 3HG2 VAL 120 13.159 -8.128 31.339 986 1H GLN 1 1H GLN 1 18.829 -0.733 -14.536 987 2H GLN 1 2H GLN 1 17.260 -0.147 -14.822 988 3H GLN 1 3H GLN 1 18.092 -0.988 -16.042 989 HA GLN 1 HA GLN 1 17.967 -3.037 -14.835 990 1HB GLN 1 1HB GLN 1 17.352 -1.042 -12.718 991 2HB GLN 1 2HB GLN 1 16.520 -2.591 -12.583 992 1HG GLN 1 1HG GLN 1 18.477 -3.776 -12.257 993 2HG GLN 1 2HG GLN 1 19.448 -2.628 -13.180 994 1HE2 GLN 1 1HE2 GLN 1 17.315 -2.312 -10.242 995 2HE2 GLN 1 2HE2 GLN 1 18.484 -1.485 -9.331 996 H LYS 2 H LYS 2 16.097 -4.363 -15.209 997 HA LYS 2 HA LYS 2 13.604 -2.863 -15.951 998 1HB LYS 2 1HB LYS 2 14.900 -3.928 -17.800 999 2HB LYS 2 2HB LYS 2 14.717 -5.489 -16.997 1000 1HG LYS 2 1HG LYS 2 12.895 -5.598 -18.404 1001 2HG LYS 2 2HG LYS 2 12.138 -4.771 -17.042 1002 1HD LYS 2 1HD LYS 2 12.033 -2.759 -18.141 1003 2HD LYS 2 2HD LYS 2 13.523 -3.054 -19.039 1004 1HE LYS 2 1HE LYS 2 12.435 -4.169 -20.745 1005 2HE LYS 2 2HE LYS 2 11.179 -4.806 -19.664 1006 1HZ LYS 2 1HZ LYS 2 11.478 -1.931 -20.344 1007 2HZ LYS 2 2HZ LYS 2 10.211 -2.650 -19.472 1008 3HZ LYS 2 3HZ LYS 2 10.397 -2.974 -21.129 1009 H THR 3 H THR 3 12.272 -3.142 -14.104 1010 HA THR 3 HA THR 3 11.685 -5.972 -13.336 1011 HB THR 3 HB THR 3 12.102 -3.702 -11.372 1012 HG1 THR 3 HG1 THR 3 14.093 -4.006 -12.156 1013 1HG2 THR 3 1HG2 THR 3 10.790 -5.986 -10.957 1014 2HG2 THR 3 2HG2 THR 3 11.831 -5.285 -9.719 1015 3HG2 THR 3 3HG2 THR 3 12.428 -6.599 -10.734 1016 H GLY 4 H GLY 4 9.459 -6.297 -12.804 1017 1HA GLY 4 1HA GLY 4 7.747 -3.843 -12.800 1018 2HA GLY 4 2HA GLY 4 7.291 -5.280 -13.716 1019 H THR 5 H THR 5 7.099 -7.367 -12.347 1020 HA THR 5 HA THR 5 6.088 -6.692 -9.600 1021 HB THR 5 HB THR 5 4.518 -8.724 -10.252 1022 HG1 THR 5 HG1 THR 5 5.357 -9.256 -12.196 1023 1HG2 THR 5 1HG2 THR 5 3.820 -6.267 -11.776 1024 2HG2 THR 5 2HG2 THR 5 4.149 -6.065 -10.056 1025 3HG2 THR 5 3HG2 THR 5 2.873 -7.161 -10.586 1026 H ALA 6 H ALA 6 8.333 -7.411 -8.877 1027 HA ALA 6 HA ALA 6 8.426 -10.389 -8.643 1028 1HB ALA 6 1HB ALA 6 10.266 -8.537 -10.026 1029 2HB ALA 6 2HB ALA 6 10.045 -10.273 -10.250 1030 3HB ALA 6 3HB ALA 6 11.065 -9.675 -8.940 1031 H GLU 7 H GLU 7 7.509 -9.225 -6.452 1032 HA GLU 7 HA GLU 7 7.920 -8.738 -4.182 1033 1HB GLU 7 1HB GLU 7 9.345 -10.889 -4.856 1034 2HB GLU 7 2HB GLU 7 10.698 -9.807 -4.528 1035 1HG GLU 7 1HG GLU 7 9.459 -9.257 -2.320 1036 2HG GLU 7 2HG GLU 7 8.527 -10.719 -2.645 1037 H VAL 8 H VAL 8 8.424 -6.570 -6.002 1038 HA VAL 8 HA VAL 8 11.021 -5.350 -5.548 1039 HB VAL 8 HB VAL 8 8.336 -4.081 -6.212 1040 1HG1 VAL 8 1HG1 VAL 8 10.889 -2.934 -7.200 1041 2HG1 VAL 8 2HG1 VAL 8 10.594 -2.761 -5.471 1042 3HG1 VAL 8 3HG1 VAL 8 9.433 -2.118 -6.631 1043 1HG2 VAL 8 1HG2 VAL 8 8.621 -4.742 -8.379 1044 2HG2 VAL 8 2HG2 VAL 8 9.652 -5.988 -7.676 1045 3HG2 VAL 8 3HG2 VAL 8 10.369 -4.511 -8.322 1046 H SER 9 H SER 9 7.867 -5.071 -3.849 1047 HA SER 9 HA SER 9 8.549 -2.972 -2.037 1048 1HB SER 9 1HB SER 9 6.289 -3.711 -2.091 1049 2HB SER 9 2HB SER 9 6.747 -5.396 -1.856 1050 HG SER 9 HG SER 9 6.823 -3.255 0.000 1051 H SER 10 H SER 10 9.376 -6.457 -1.922 1052 HA SER 10 HA SER 10 10.373 -6.469 0.796 1053 1HB SER 10 1HB SER 10 9.865 -8.531 -0.422 1054 2HB SER 10 2HB SER 10 11.069 -8.143 -1.646 1055 HG SER 10 HG SER 10 12.035 -9.522 -0.214 1056 H ILE 11 H ILE 11 12.169 -6.230 -2.340 1057 HA ILE 11 HA ILE 11 14.727 -5.727 -1.135 1058 HB ILE 11 HB ILE 11 15.352 -4.853 -3.371 1059 1HG1 ILE 11 1HG1 ILE 11 12.465 -5.203 -4.191 1060 2HG1 ILE 11 2HG1 ILE 11 13.081 -3.647 -3.639 1061 1HG2 ILE 11 1HG2 ILE 11 14.034 -6.909 -4.619 1062 2HG2 ILE 11 2HG2 ILE 11 13.899 -7.383 -2.926 1063 3HG2 ILE 11 3HG2 ILE 11 15.486 -7.104 -3.637 1064 1HD1 ILE 11 1HD1 ILE 11 14.458 -3.381 -5.477 1065 2HD1 ILE 11 2HD1 ILE 11 13.146 -4.301 -6.212 1066 3HD1 ILE 11 3HD1 ILE 11 14.632 -5.118 -5.729 1067 H LEU 12 H LEU 12 12.005 -3.510 -1.771 1068 HA LEU 12 HA LEU 12 13.534 -1.061 -1.406 1069 1HB LEU 12 1HB LEU 12 11.101 -1.553 -2.361 1070 2HB LEU 12 2HB LEU 12 10.624 -1.285 -0.683 1071 HG LEU 12 HG LEU 12 11.899 0.890 -0.753 1072 1HD1 LEU 12 1HD1 LEU 12 12.348 -0.107 -3.528 1073 2HD1 LEU 12 2HD1 LEU 12 13.408 0.849 -2.492 1074 3HD1 LEU 12 3HD1 LEU 12 12.063 1.623 -3.329 1075 1HD2 LEU 12 1HD2 LEU 12 9.480 0.905 -1.024 1076 2HD2 LEU 12 2HD2 LEU 12 9.632 0.473 -2.727 1077 3HD2 LEU 12 3HD2 LEU 12 10.177 2.054 -2.166 1078 H GLU 13 H GLU 13 11.716 -3.208 0.832 1079 HA GLU 13 HA GLU 13 11.843 -1.551 3.166 1080 1HB GLU 13 1HB GLU 13 10.532 -3.670 2.916 1081 2HB GLU 13 2HB GLU 13 12.040 -4.581 2.987 1082 1HG GLU 13 1HG GLU 13 11.690 -2.647 5.191 1083 2HG GLU 13 2HG GLU 13 10.503 -3.951 5.174 1084 H GLU 14 H GLU 14 14.269 -3.832 1.809 1085 HA GLU 14 HA GLU 14 16.122 -3.785 3.994 1086 1HB GLU 14 1HB GLU 14 16.191 -5.263 1.945 1087 2HB GLU 14 2HB GLU 14 16.778 -3.875 1.027 1088 1HG GLU 14 1HG GLU 14 18.668 -3.686 2.697 1089 2HG GLU 14 2HG GLU 14 18.135 -5.224 3.375 1090 H ARG 15 H ARG 15 15.747 -1.516 1.232 1091 HA ARG 15 HA ARG 15 18.066 0.091 1.721 1092 1HB ARG 15 1HB ARG 15 15.339 0.634 0.532 1093 2HB ARG 15 2HB ARG 15 16.558 1.906 0.629 1094 1HG ARG 15 1HG ARG 15 17.153 -0.790 -0.598 1095 2HG ARG 15 2HG ARG 15 16.501 0.547 -1.546 1096 1HD ARG 15 1HD ARG 15 19.061 0.679 0.092 1097 2HD ARG 15 2HD ARG 15 18.984 0.491 -1.672 1098 HE ARG 15 HE ARG 15 17.709 2.687 -1.687 1099 1HH1 ARG 15 1HH2 ARG 15 20.600 2.277 -0.146 1100 2HH1 ARG 15 2HH2 ARG 15 20.485 3.671 0.876 1101 1HH2 ARG 15 1HH1 ARG 15 17.158 4.284 0.112 1102 2HH2 ARG 15 2HH1 ARG 15 18.536 4.807 1.023 1103 H ILE 16 H ILE 16 14.823 0.194 3.255 1104 HA ILE 16 HA ILE 16 15.484 2.637 4.778 1105 HB ILE 16 HB ILE 16 13.200 0.645 5.049 1106 1HG1 ILE 16 1HG1 ILE 16 13.026 3.348 3.733 1107 2HG1 ILE 16 2HG1 ILE 16 13.598 1.957 2.810 1108 1HG2 ILE 16 1HG2 ILE 16 13.247 3.543 5.908 1109 2HG2 ILE 16 2HG2 ILE 16 13.728 2.241 6.997 1110 3HG2 ILE 16 3HG2 ILE 16 12.086 2.292 6.354 1111 1HD1 ILE 16 1HD1 ILE 16 11.336 1.757 2.404 1112 2HD1 ILE 16 2HD1 ILE 16 10.888 2.495 3.942 1113 3HD1 ILE 16 3HD1 ILE 16 11.438 0.820 3.895 1114 H LEU 17 H LEU 17 15.299 -0.892 5.452 1115 HA LEU 17 HA LEU 17 16.443 -0.336 8.172 1116 1HB LEU 17 1HB LEU 17 14.488 -2.245 7.014 1117 2HB LEU 17 2HB LEU 17 15.583 -2.924 8.219 1118 HG LEU 17 HG LEU 17 14.978 -0.871 9.659 1119 1HD1 LEU 17 1HD1 LEU 17 12.742 -0.815 7.611 1120 2HD1 LEU 17 2HD1 LEU 17 13.920 0.462 7.911 1121 3HD1 LEU 17 3HD1 LEU 17 12.720 0.062 9.140 1122 1HD2 LEU 17 1HD2 LEU 17 12.658 -1.989 10.183 1123 2HD2 LEU 17 2HD2 LEU 17 14.138 -2.913 10.443 1124 3HD2 LEU 17 3HD2 LEU 17 13.172 -3.184 8.993 1125 H GLY 18 H GLY 18 18.714 -0.392 7.727 1126 1HA GLY 18 1HA GLY 18 19.726 -3.032 6.783 1127 2HA GLY 18 2HA GLY 18 20.359 -1.556 6.053 1128 H ALA 19 H ALA 19 20.985 0.161 7.952 1129 HA ALA 19 HA ALA 19 22.358 -1.315 10.162 1130 1HB ALA 19 1HB ALA 19 23.650 0.799 8.415 1131 2HB ALA 19 2HB ALA 19 23.803 -0.930 8.099 1132 3HB ALA 19 3HB ALA 19 24.442 -0.247 9.594 1133 H ASP 20 H ASP 20 22.336 -0.134 12.124 1134 HA ASP 20 HA ASP 20 21.320 2.689 11.971 1135 1HB ASP 20 1HB ASP 20 19.721 0.893 12.770 1136 2HB ASP 20 2HB ASP 20 20.811 0.619 14.129 1137 H THR 21 H THR 21 22.611 4.199 13.068 1138 HA THR 21 HA THR 21 24.493 3.196 15.159 1139 HB THR 21 HB THR 21 25.425 5.148 13.077 1140 HG1 THR 21 HG1 THR 21 25.920 3.494 11.705 1141 1HG2 THR 21 1HG2 THR 21 26.632 4.210 15.255 1142 2HG2 THR 21 2HG2 THR 21 27.533 4.505 13.768 1143 3HG2 THR 21 3HG2 THR 21 27.013 2.869 14.176 1144 H SER 22 H SER 22 23.218 4.366 16.769 1145 HA SER 22 HA SER 22 23.244 7.351 16.435 1146 1HB SER 22 1HB SER 22 21.253 5.354 17.372 1147 2HB SER 22 2HB SER 22 21.325 6.856 18.290 1148 HG SER 22 HG SER 22 20.827 6.470 15.531 1149 H VAL 23 H VAL 23 24.362 8.492 18.048 1150 HA VAL 23 HA VAL 23 25.048 7.008 20.564 1151 HB VAL 23 HB VAL 23 26.818 8.784 18.844 1152 1HG1 VAL 23 1HG1 VAL 23 27.131 7.540 21.554 1153 2HG1 VAL 23 2HG1 VAL 23 27.678 9.114 20.978 1154 3HG1 VAL 23 3HG1 VAL 23 28.546 7.653 20.506 1155 1HG2 VAL 23 1HG2 VAL 23 28.083 6.687 18.453 1156 2HG2 VAL 23 2HG2 VAL 23 26.428 6.559 17.858 1157 3HG2 VAL 23 3HG2 VAL 23 26.878 5.796 19.383 1158 H ASP 24 H ASP 24 23.671 8.174 21.994 1159 HA ASP 24 HA ASP 24 24.265 11.086 22.263 1160 1HB ASP 24 1HB ASP 24 22.285 10.781 20.796 1161 2HB ASP 24 2HB ASP 24 21.502 9.840 22.065 1162 H LEU 25 H LEU 25 22.099 8.542 23.688 1163 HA LEU 25 HA LEU 25 23.307 9.170 26.357 1164 1HB LEU 25 1HB LEU 25 20.516 9.408 25.357 1165 2HB LEU 25 2HB LEU 25 20.705 8.720 26.971 1166 HG LEU 25 HG LEU 25 22.118 11.263 26.163 1167 1HD1 LEU 25 1HD1 LEU 25 20.283 12.561 26.648 1168 2HD1 LEU 25 2HD1 LEU 25 19.619 11.384 27.780 1169 3HD1 LEU 25 3HD1 LEU 25 19.435 11.139 26.044 1170 1HD2 LEU 25 1HD2 LEU 25 23.027 10.441 28.166 1171 2HD2 LEU 25 2HD2 LEU 25 21.478 9.799 28.715 1172 3HD2 LEU 25 3HD2 LEU 25 21.772 11.538 28.746 Start of MODEL 11 1 1H PHE 1 1H PHE 1 -15.144 -40.035 12.369 2 2H PHE 1 2H PHE 1 -16.277 -41.262 12.060 3 3H PHE 1 3H PHE 1 -16.672 -39.640 11.747 4 HA PHE 1 HA PHE 1 -14.509 -41.120 10.340 5 1HB PHE 1 1HB PHE 1 -16.898 -41.984 10.114 6 2HB PHE 1 2HB PHE 1 -17.305 -40.423 9.400 7 HD1 PHE 1 HD1 PHE 1 -14.789 -43.187 9.071 8 HD2 PHE 1 HD2 PHE 1 -17.082 -40.141 7.094 9 HE1 PHE 1 HE1 PHE 1 -13.930 -43.964 6.878 10 HE2 PHE 1 HE2 PHE 1 -16.224 -40.917 4.901 11 HZ PHE 1 HZ PHE 1 -14.647 -42.829 4.792 12 H ALA 2 H ALA 2 -13.402 -38.904 10.903 13 HA ALA 2 HA ALA 2 -14.274 -36.847 8.895 14 1HB ALA 2 1HB ALA 2 -13.584 -36.736 11.791 15 2HB ALA 2 2HB ALA 2 -14.733 -35.761 10.874 16 3HB ALA 2 3HB ALA 2 -13.009 -35.400 10.793 17 H LYS 3 H LYS 3 -12.661 -37.920 7.396 18 HA LYS 3 HA LYS 3 -9.868 -37.050 8.047 19 1HB LYS 3 1HB LYS 3 -10.550 -39.575 8.319 20 2HB LYS 3 2HB LYS 3 -10.479 -39.591 6.556 21 1HG LYS 3 1HG LYS 3 -8.156 -38.395 6.945 22 2HG LYS 3 2HG LYS 3 -8.270 -39.151 8.535 23 1HD LYS 3 1HD LYS 3 -8.854 -40.843 6.141 24 2HD LYS 3 2HD LYS 3 -7.170 -40.435 6.473 25 1HE LYS 3 1HE LYS 3 -8.766 -41.334 8.819 26 2HE LYS 3 2HE LYS 3 -8.379 -42.572 7.606 27 1HZ LYS 3 1HZ LYS 3 -6.473 -40.736 8.956 28 2HZ LYS 3 2HZ LYS 3 -6.062 -41.732 7.642 29 3HZ LYS 3 3HZ LYS 3 -6.547 -42.424 9.117 30 H LEU 4 H LEU 4 -10.498 -35.177 6.574 31 HA LEU 4 HA LEU 4 -10.304 -35.996 3.694 32 1HB LEU 4 1HB LEU 4 -12.309 -34.421 5.187 33 2HB LEU 4 2HB LEU 4 -11.759 -33.663 3.693 34 HG LEU 4 HG LEU 4 -12.413 -36.570 3.585 35 1HD1 LEU 4 1HD1 LEU 4 -14.373 -35.998 4.724 36 2HD1 LEU 4 2HD1 LEU 4 -14.841 -35.724 3.046 37 3HD1 LEU 4 3HD1 LEU 4 -14.392 -34.360 4.069 38 1HD2 LEU 4 1HD2 LEU 4 -11.691 -35.646 1.537 39 2HD2 LEU 4 2HD2 LEU 4 -12.585 -34.148 1.795 40 3HD2 LEU 4 3HD2 LEU 4 -13.448 -35.631 1.389 41 H VAL 5 H VAL 5 -9.965 -33.582 2.473 42 HA VAL 5 HA VAL 5 -7.574 -32.407 3.861 43 HB VAL 5 HB VAL 5 -8.284 -32.641 0.914 44 1HG1 VAL 5 1HG1 VAL 5 -6.056 -31.801 0.483 45 2HG1 VAL 5 2HG1 VAL 5 -5.673 -31.799 2.204 46 3HG1 VAL 5 3HG1 VAL 5 -6.860 -30.663 1.562 47 1HG2 VAL 5 1HG2 VAL 5 -6.153 -34.165 1.077 48 2HG2 VAL 5 2HG2 VAL 5 -7.714 -34.821 1.567 49 3HG2 VAL 5 3HG2 VAL 5 -6.572 -34.261 2.788 50 H ARG 6 H ARG 6 -9.047 -30.819 4.978 51 HA ARG 6 HA ARG 6 -9.924 -28.642 3.106 52 1HB ARG 6 1HB ARG 6 -11.618 -30.283 4.379 53 2HB ARG 6 2HB ARG 6 -11.330 -29.147 5.698 54 1HG ARG 6 1HG ARG 6 -11.860 -27.279 4.069 55 2HG ARG 6 2HG ARG 6 -12.387 -28.520 2.932 56 1HD ARG 6 1HD ARG 6 -14.114 -29.281 4.458 57 2HD ARG 6 2HD ARG 6 -13.510 -28.211 5.739 58 HE ARG 6 HE ARG 6 -14.745 -27.259 3.187 59 1HH1 ARG 6 1HH2 ARG 6 -12.706 -25.610 4.927 60 2HH1 ARG 6 2HH2 ARG 6 -13.817 -24.566 5.749 61 1HH2 ARG 6 1HH1 ARG 6 -16.614 -26.429 4.894 62 2HH2 ARG 6 2HH1 ARG 6 -16.029 -25.029 5.730 63 HA PRO 7 HA PRO 7 -7.087 -27.158 6.537 64 1HB PRO 7 1HB PRO 7 -5.165 -26.033 4.948 65 2HB PRO 7 2HB PRO 7 -5.115 -27.728 5.470 66 1HG PRO 7 1HG PRO 7 -5.958 -26.575 2.861 67 2HG PRO 7 2HG PRO 7 -5.062 -28.063 3.203 68 1HD PRO 7 1HD PRO 7 -7.721 -28.001 2.581 69 2HD PRO 7 2HD PRO 7 -6.963 -29.280 3.553 70 HA PRO 8 HA PRO 8 -8.640 -23.046 6.144 71 1HB PRO 8 1HB PRO 8 -6.731 -21.513 7.368 72 2HB PRO 8 2HB PRO 8 -7.832 -22.578 8.263 73 1HG PRO 8 1HG PRO 8 -4.993 -23.011 7.491 74 2HG PRO 8 2HG PRO 8 -5.838 -23.456 8.981 75 1HD PRO 8 1HD PRO 8 -5.272 -25.223 6.980 76 2HD PRO 8 2HD PRO 8 -6.642 -25.405 8.098 77 H VAL 9 H VAL 9 -7.757 -20.641 5.443 78 HA VAL 9 HA VAL 9 -5.924 -21.050 3.098 79 HB VAL 9 HB VAL 9 -8.376 -19.276 3.388 80 1HG1 VAL 9 1HG1 VAL 9 -7.183 -18.128 1.791 81 2HG1 VAL 9 2HG1 VAL 9 -7.898 -19.356 0.746 82 3HG1 VAL 9 3HG1 VAL 9 -6.242 -19.545 1.324 83 1HG2 VAL 9 1HG2 VAL 9 -7.885 -21.884 1.919 84 2HG2 VAL 9 2HG2 VAL 9 -9.283 -20.851 1.621 85 3HG2 VAL 9 3HG2 VAL 9 -9.054 -21.589 3.206 86 H GLN 10 H GLN 10 -4.087 -19.763 3.238 87 HA GLN 10 HA GLN 10 -4.304 -17.104 4.581 88 1HB GLN 10 1HB GLN 10 -2.857 -19.536 5.439 89 2HB GLN 10 2HB GLN 10 -1.890 -18.063 5.469 90 1HG GLN 10 1HG GLN 10 -3.268 -17.026 7.040 91 2HG GLN 10 2HG GLN 10 -4.657 -18.032 6.632 92 1HE2 GLN 10 1HE2 GLN 10 -1.521 -18.062 8.384 93 2HE2 GLN 10 2HE2 GLN 10 -1.884 -19.436 9.311 94 H ILE 11 H ILE 11 -3.097 -15.534 3.451 95 HA ILE 11 HA ILE 11 -1.727 -14.609 1.782 96 HB ILE 11 HB ILE 11 -0.213 -17.157 2.426 97 1HG1 ILE 11 1HG1 ILE 11 1.175 -15.274 3.651 98 2HG1 ILE 11 2HG1 ILE 11 -0.350 -14.391 3.585 99 1HG2 ILE 11 1HG2 ILE 11 1.684 -15.423 1.647 100 2HG2 ILE 11 2HG2 ILE 11 0.349 -14.833 0.655 101 3HG2 ILE 11 3HG2 ILE 11 0.881 -16.509 0.512 102 1HD1 ILE 11 1HD1 ILE 11 -1.449 -15.916 4.957 103 2HD1 ILE 11 2HD1 ILE 11 0.176 -15.947 5.644 104 3HD1 ILE 11 3HD1 ILE 11 -0.344 -17.229 4.550 105 H TYR 12 H TYR 12 -2.782 -14.574 -0.202 106 HA TYR 12 HA TYR 12 -2.411 -16.905 -2.022 107 1HB TYR 12 1HB TYR 12 -5.066 -16.200 -2.483 108 2HB TYR 12 2HB TYR 12 -4.545 -17.601 -1.557 109 HD1 TYR 12 HD1 TYR 12 -6.160 -14.335 -1.412 110 HD2 TYR 12 HD2 TYR 12 -4.296 -17.409 0.935 111 HE1 TYR 12 HE1 TYR 12 -7.141 -13.366 0.651 112 HE2 TYR 12 HE2 TYR 12 -5.249 -16.439 2.982 113 HH TYR 12 HH TYR 12 -7.562 -14.848 3.358 114 H GLY 13 H GLY 13 -0.961 -15.278 -3.122 115 1HA GLY 13 1HA GLY 13 -1.385 -14.155 -5.374 116 2HA GLY 13 2HA GLY 13 -2.521 -13.132 -4.491 117 H ILE 14 H ILE 14 0.594 -13.201 -5.666 118 HA ILE 14 HA ILE 14 2.357 -12.191 -3.753 119 HB ILE 14 HB ILE 14 2.918 -12.542 -6.129 120 1HG1 ILE 14 1HG1 ILE 14 4.312 -10.531 -6.489 121 2HG1 ILE 14 2HG1 ILE 14 3.384 -9.664 -5.267 122 1HG2 ILE 14 1HG2 ILE 14 0.673 -11.393 -6.833 123 2HG2 ILE 14 2HG2 ILE 14 2.082 -11.229 -7.878 124 3HG2 ILE 14 3HG2 ILE 14 1.625 -9.910 -6.800 125 1HD1 ILE 14 1HD1 ILE 14 4.485 -12.262 -4.380 126 2HD1 ILE 14 2HD1 ILE 14 4.439 -10.711 -3.541 127 3HD1 ILE 14 3HD1 ILE 14 5.691 -11.027 -4.742 128 H GLU 15 H GLU 15 -0.371 -10.386 -5.219 129 HA GLU 15 HA GLU 15 0.252 -7.748 -4.382 130 1HB GLU 15 1HB GLU 15 -2.203 -9.315 -4.972 131 2HB GLU 15 2HB GLU 15 -2.455 -7.875 -3.992 132 1HG GLU 15 1HG GLU 15 -2.537 -6.834 -6.024 133 2HG GLU 15 2HG GLU 15 -0.780 -6.871 -5.877 134 H GLY 16 H GLY 16 -1.047 -10.474 -2.443 135 1HA GLY 16 1HA GLY 16 -1.575 -8.879 -0.086 136 2HA GLY 16 2HA GLY 16 -1.397 -10.636 -0.119 137 H ARG 17 H ARG 17 1.252 -10.781 -1.224 138 HA ARG 17 HA ARG 17 2.883 -10.514 1.113 139 1HB ARG 17 1HB ARG 17 3.395 -10.838 -1.836 140 2HB ARG 17 2HB ARG 17 4.758 -10.560 -0.752 141 1HG ARG 17 1HG ARG 17 4.445 -12.568 0.381 142 2HG ARG 17 2HG ARG 17 2.732 -12.650 -0.029 143 1HD ARG 17 1HD ARG 17 3.195 -13.338 -2.271 144 2HD ARG 17 2HD ARG 17 4.910 -12.906 -2.124 145 HE ARG 17 HE ARG 17 5.073 -14.731 -0.385 146 1HH1 ARG 17 1HH2 ARG 17 3.944 -15.407 -3.339 147 2HH1 ARG 17 2HH2 ARG 17 2.949 -16.758 -2.908 148 1HH2 ARG 17 1HH1 ARG 17 3.142 -16.154 0.500 149 2HH2 ARG 17 2HH1 ARG 17 2.495 -17.180 -0.736 150 H TYR 18 H TYR 18 2.164 -8.125 -1.449 151 HA TYR 18 HA TYR 18 4.273 -6.271 -1.015 152 1HB TYR 18 1HB TYR 18 1.452 -6.161 -1.946 153 2HB TYR 18 2HB TYR 18 2.110 -4.629 -1.385 154 HD1 TYR 18 HD1 TYR 18 2.752 -3.327 -3.199 155 HD2 TYR 18 HD2 TYR 18 3.610 -7.537 -3.234 156 HE1 TYR 18 HE1 TYR 18 3.958 -3.064 -5.348 157 HE2 TYR 18 HE2 TYR 18 4.819 -7.272 -5.383 158 HH TYR 18 HH TYR 18 5.952 -4.521 -6.527 159 H ALA 19 H ALA 19 1.290 -6.793 0.914 160 HA ALA 19 HA ALA 19 1.834 -4.543 2.715 161 1HB ALA 19 1HB ALA 19 -0.408 -5.140 2.796 162 2HB ALA 19 2HB ALA 19 0.179 -6.091 4.160 163 3HB ALA 19 3HB ALA 19 -0.065 -6.858 2.589 164 H THR 20 H THR 20 2.537 -8.072 2.776 165 HA THR 20 HA THR 20 3.667 -7.929 5.462 166 HB THR 20 HB THR 20 4.667 -10.206 4.072 167 HG1 THR 20 HG1 THR 20 2.735 -10.982 3.172 168 1HG2 THR 20 1HG2 THR 20 3.953 -10.113 6.425 169 2HG2 THR 20 2HG2 THR 20 3.067 -11.370 5.565 170 3HG2 THR 20 3HG2 THR 20 2.291 -9.826 5.912 171 H ALA 21 H ALA 21 5.025 -7.775 2.157 172 HA ALA 21 HA ALA 21 7.784 -7.779 3.126 173 1HB ALA 21 1HB ALA 21 7.457 -8.420 0.854 174 2HB ALA 21 2HB ALA 21 8.152 -6.802 0.746 175 3HB ALA 21 3HB ALA 21 6.417 -7.033 0.530 176 H LEU 22 H LEU 22 5.262 -5.351 3.082 177 HA LEU 22 HA LEU 22 7.290 -3.156 3.293 178 1HB LEU 22 1HB LEU 22 5.312 -2.865 1.804 179 2HB LEU 22 2HB LEU 22 4.249 -3.120 3.189 180 HG LEU 22 HG LEU 22 5.959 -1.143 4.107 181 1HD1 LEU 22 1HD1 LEU 22 5.638 -0.943 1.138 182 2HD1 LEU 22 2HD1 LEU 22 7.012 -0.497 2.149 183 3HD1 LEU 22 3HD1 LEU 22 5.586 0.541 2.091 184 1HD2 LEU 22 1HD2 LEU 22 3.900 0.352 3.276 185 2HD2 LEU 22 2HD2 LEU 22 3.735 -0.795 4.606 186 3HD2 LEU 22 3HD2 LEU 22 3.192 -1.237 2.986 187 H TYR 23 H TYR 23 4.572 -4.660 5.107 188 HA TYR 23 HA TYR 23 5.223 -3.078 7.474 189 1HB TYR 23 1HB TYR 23 3.111 -3.641 8.023 190 2HB TYR 23 2HB TYR 23 2.991 -4.481 6.490 191 HD1 TYR 23 HD1 TYR 23 2.516 -6.761 6.473 192 HD2 TYR 23 HD2 TYR 23 4.181 -4.982 9.995 193 HE1 TYR 23 HE1 TYR 23 2.300 -8.905 7.651 194 HE2 TYR 23 HE2 TYR 23 3.926 -7.116 11.212 195 HH TYR 23 HH TYR 23 3.588 -9.986 9.800 196 H SER 24 H SER 24 6.501 -6.035 6.074 197 HA SER 24 HA SER 24 7.214 -7.556 8.366 198 1HB SER 24 1HB SER 24 7.909 -8.568 6.394 199 2HB SER 24 2HB SER 24 8.391 -7.039 5.663 200 HG SER 24 HG SER 24 10.201 -8.316 6.212 201 H ALA 25 H ALA 25 8.751 -4.610 7.021 202 HA ALA 25 HA ALA 25 10.790 -4.493 9.146 203 1HB ALA 25 1HB ALA 25 9.844 -2.748 6.878 204 2HB ALA 25 2HB ALA 25 11.469 -3.349 7.208 205 3HB ALA 25 3HB ALA 25 10.811 -2.015 8.157 206 H ALA 26 H ALA 26 7.602 -2.982 8.411 207 HA ALA 26 HA ALA 26 7.429 -1.190 10.627 208 1HB ALA 26 1HB ALA 26 5.815 -1.447 8.688 209 2HB ALA 26 2HB ALA 26 5.025 -1.312 10.259 210 3HB ALA 26 3HB ALA 26 5.178 -2.887 9.483 211 H SER 27 H SER 27 6.814 -4.734 10.504 212 HA SER 27 HA SER 27 5.604 -5.101 13.070 213 1HB SER 27 1HB SER 27 5.914 -6.887 11.377 214 2HB SER 27 2HB SER 27 7.655 -6.840 11.637 215 HG SER 27 HG SER 27 6.810 -8.470 12.899 216 H LYS 28 H LYS 28 9.086 -4.821 12.196 217 HA LYS 28 HA LYS 28 10.047 -5.188 14.931 218 1HB LYS 28 1HB LYS 28 11.280 -5.357 12.611 219 2HB LYS 28 2HB LYS 28 11.507 -3.618 12.805 220 1HG LYS 28 1HG LYS 28 12.495 -4.069 15.075 221 2HG LYS 28 2HG LYS 28 12.418 -5.793 14.709 222 1HD LYS 28 1HD LYS 28 14.607 -5.214 14.070 223 2HD LYS 28 2HD LYS 28 13.720 -5.163 12.546 224 1HE LYS 28 1HE LYS 28 14.916 -3.121 12.530 225 2HE LYS 28 2HE LYS 28 13.329 -2.635 13.163 226 1HZ LYS 28 1HZ LYS 28 14.158 -2.989 15.409 227 2HZ LYS 28 2HZ LYS 28 15.108 -1.836 14.599 228 3HZ LYS 28 3HZ LYS 28 15.681 -3.422 14.802 229 H GLN 29 H GLN 29 9.208 -2.328 12.921 230 HA GLN 29 HA GLN 29 9.952 -0.451 15.073 231 1HB GLN 29 1HB GLN 29 8.507 -0.113 12.425 232 2HB GLN 29 2HB GLN 29 8.996 1.224 13.468 233 1HG GLN 29 1HG GLN 29 11.230 0.967 12.986 234 2HG GLN 29 2HG GLN 29 11.090 -0.779 12.769 235 1HE2 GLN 29 1HE2 GLN 29 9.365 1.981 11.142 236 2HE2 GLN 29 2HE2 GLN 29 9.779 1.480 9.573 237 H ASN 30 H ASN 30 7.229 -2.481 14.674 238 HA ASN 30 HA ASN 30 5.188 -2.547 15.810 239 1HB ASN 30 1HB ASN 30 6.794 -1.430 17.575 240 2HB ASN 30 2HB ASN 30 5.897 0.037 17.185 241 1HD2 ASN 30 1HD2 ASN 30 5.824 -1.598 19.755 242 2HD2 ASN 30 2HD2 ASN 30 4.191 -2.017 19.951 243 H LYS 31 H LYS 31 5.352 -1.323 13.212 244 HA LYS 31 HA LYS 31 3.483 1.002 13.470 245 1HB LYS 31 1HB LYS 31 5.568 0.100 11.557 246 2HB LYS 31 2HB LYS 31 4.168 0.907 10.851 247 1HG LYS 31 1HG LYS 31 5.349 2.800 11.345 248 2HG LYS 31 2HG LYS 31 4.660 2.559 12.950 249 1HD LYS 31 1HD LYS 31 6.667 1.269 13.611 250 2HD LYS 31 2HD LYS 31 7.362 1.549 12.013 251 1HE LYS 31 1HE LYS 31 8.330 3.277 13.297 252 2HE LYS 31 2HE LYS 31 6.925 4.090 12.578 253 1HZ LYS 31 1HZ LYS 31 5.625 3.453 14.534 254 2HZ LYS 31 2HZ LYS 31 6.944 4.437 14.961 255 3HZ LYS 31 3HZ LYS 31 7.005 2.761 15.236 256 H LEU 32 H LEU 32 2.955 -2.215 13.397 257 HA LEU 32 HA LEU 32 1.473 -2.951 11.122 258 1HB LEU 32 1HB LEU 32 1.305 -3.507 14.075 259 2HB LEU 32 2HB LEU 32 0.010 -4.108 13.046 260 HG LEU 32 HG LEU 32 2.007 -5.689 13.479 261 1HD1 LEU 32 1HD1 LEU 32 1.616 -5.258 10.545 262 2HD1 LEU 32 2HD1 LEU 32 0.210 -5.622 11.543 263 3HD1 LEU 32 3HD1 LEU 32 1.557 -6.754 11.479 264 1HD2 LEU 32 1HD2 LEU 32 3.297 -3.823 11.460 265 2HD2 LEU 32 2HD2 LEU 32 3.933 -5.385 11.951 266 3HD2 LEU 32 3HD2 LEU 32 3.829 -4.088 13.120 267 H GLU 33 H GLU 33 0.433 -0.855 13.842 268 HA GLU 33 HA GLU 33 -2.278 -0.502 12.732 269 1HB GLU 33 1HB GLU 33 -1.323 -0.209 15.202 270 2HB GLU 33 2HB GLU 33 -0.970 1.426 14.644 271 1HG GLU 33 1HG GLU 33 -3.462 1.336 13.772 272 2HG GLU 33 2HG GLU 33 -3.625 0.076 14.996 273 H GLN 34 H GLN 34 0.799 1.353 12.798 274 HA GLN 34 HA GLN 34 -0.079 3.670 11.358 275 1HB GLN 34 1HB GLN 34 2.605 2.256 11.367 276 2HB GLN 34 2HB GLN 34 2.337 3.902 10.799 277 1HG GLN 34 1HG GLN 34 1.168 3.682 13.404 278 2HG GLN 34 2HG GLN 34 2.791 3.002 13.485 279 1HE2 GLN 34 1HE2 GLN 34 1.073 5.954 12.255 280 2HE2 GLN 34 2HE2 GLN 34 2.383 6.994 12.538 281 H VAL 35 H VAL 35 0.717 0.395 10.183 282 HA VAL 35 HA VAL 35 0.471 1.408 7.382 283 HB VAL 35 HB VAL 35 1.281 -1.390 8.168 284 1HG1 VAL 35 1HG1 VAL 35 2.497 -1.323 6.101 285 2HG1 VAL 35 2HG1 VAL 35 2.287 0.423 5.967 286 3HG1 VAL 35 3HG1 VAL 35 0.899 -0.649 5.777 287 1HG2 VAL 35 1HG2 VAL 35 2.977 -0.513 9.435 288 2HG2 VAL 35 2HG2 VAL 35 2.782 1.101 8.748 289 3HG2 VAL 35 3HG2 VAL 35 3.703 -0.125 7.877 290 H GLU 36 H GLU 36 -0.863 -1.159 9.553 291 HA GLU 36 HA GLU 36 -2.658 -2.272 7.589 292 1HB GLU 36 1HB GLU 36 -1.921 -3.187 9.888 293 2HB GLU 36 2HB GLU 36 -3.196 -2.174 10.562 294 1HG GLU 36 1HG GLU 36 -4.021 -3.811 8.240 295 2HG GLU 36 2HG GLU 36 -3.577 -4.737 9.674 296 H LYS 37 H LYS 37 -3.035 0.557 9.747 297 HA LYS 37 HA LYS 37 -5.917 0.748 9.066 298 1HB LYS 37 1HB LYS 37 -4.875 1.263 11.343 299 2HB LYS 37 2HB LYS 37 -4.202 2.718 10.607 300 1HG LYS 37 1HG LYS 37 -6.341 3.642 10.197 301 2HG LYS 37 2HG LYS 37 -7.147 2.090 10.425 302 1HD LYS 37 1HD LYS 37 -6.318 2.155 12.835 303 2HD LYS 37 2HD LYS 37 -5.864 3.834 12.538 304 1HE LYS 37 1HE LYS 37 -8.227 4.320 11.870 305 2HE LYS 37 2HE LYS 37 -8.658 2.655 12.312 306 1HZ LYS 37 1HZ LYS 37 -7.919 3.010 14.525 307 2HZ LYS 37 2HZ LYS 37 -8.936 4.316 14.143 308 3HZ LYS 37 3HZ LYS 37 -7.249 4.520 14.142 309 H GLU 38 H GLU 38 -2.871 2.479 8.251 310 HA GLU 38 HA GLU 38 -4.301 4.553 6.752 311 1HB GLU 38 1HB GLU 38 -1.444 3.665 7.091 312 2HB GLU 38 2HB GLU 38 -1.855 4.813 5.818 313 1HG GLU 38 1HG GLU 38 -1.308 6.139 7.732 314 2HG GLU 38 2HG GLU 38 -3.064 6.172 7.599 315 H LEU 39 H LEU 39 -2.767 1.412 5.929 316 HA LEU 39 HA LEU 39 -2.904 1.608 3.077 317 1HB LEU 39 1HB LEU 39 -2.862 -0.578 5.107 318 2HB LEU 39 2HB LEU 39 -3.421 -1.021 3.498 319 HG LEU 39 HG LEU 39 -0.850 0.494 3.989 320 1HD1 LEU 39 1HD1 LEU 39 -1.010 -2.427 3.275 321 2HD1 LEU 39 2HD1 LEU 39 -1.054 -1.922 4.964 322 3HD1 LEU 39 3HD1 LEU 39 0.344 -1.529 3.962 323 1HD2 LEU 39 1HD2 LEU 39 -2.282 0.301 1.709 324 2HD2 LEU 39 2HD2 LEU 39 -1.366 -1.202 1.595 325 3HD2 LEU 39 3HD2 LEU 39 -0.520 0.340 1.718 326 H LEU 40 H LEU 40 -5.460 0.791 5.473 327 HA LEU 40 HA LEU 40 -7.464 -0.160 3.680 328 1HB LEU 40 1HB LEU 40 -7.413 1.234 6.329 329 2HB LEU 40 2HB LEU 40 -8.964 1.133 5.496 330 HG LEU 40 HG LEU 40 -7.184 -1.274 5.930 331 1HD1 LEU 40 1HD1 LEU 40 -9.153 -1.714 7.671 332 2HD1 LEU 40 2HD1 LEU 40 -9.182 0.049 7.720 333 3HD1 LEU 40 3HD1 LEU 40 -7.705 -0.820 8.138 334 1HD2 LEU 40 1HD2 LEU 40 -9.230 -0.974 4.201 335 2HD2 LEU 40 2HD2 LEU 40 -10.147 -1.404 5.645 336 3HD2 LEU 40 3HD2 LEU 40 -8.909 -2.498 5.028 337 H ARG 41 H ARG 41 -6.439 3.205 4.355 338 HA ARG 41 HA ARG 41 -8.634 4.560 3.101 339 1HB ARG 41 1HB ARG 41 -5.744 5.173 3.657 340 2HB ARG 41 2HB ARG 41 -6.657 6.278 2.629 341 1HG ARG 41 1HG ARG 41 -7.996 6.990 4.348 342 2HG ARG 41 2HG ARG 41 -7.996 5.413 5.137 343 1HD ARG 41 1HD ARG 41 -5.373 6.091 5.432 344 2HD ARG 41 2HD ARG 41 -6.136 7.692 5.501 345 HE ARG 41 HE ARG 41 -6.766 5.417 7.323 346 1HH1 ARG 41 1HH2 ARG 41 -8.927 7.520 6.461 347 2HH1 ARG 41 2HH2 ARG 41 -8.894 8.554 7.850 348 1HH2 ARG 41 1HH1 ARG 41 -5.920 7.255 9.073 349 2HH2 ARG 41 2HH1 ARG 41 -7.190 8.403 9.329 350 H VAL 42 H VAL 42 -5.553 3.330 1.677 351 HA VAL 42 HA VAL 42 -6.064 4.299 -0.994 352 HB VAL 42 HB VAL 42 -4.500 1.871 -0.033 353 1HG1 VAL 42 1HG1 VAL 42 -4.425 1.467 -2.280 354 2HG1 VAL 42 2HG1 VAL 42 -3.230 2.763 -2.277 355 3HG1 VAL 42 3HG1 VAL 42 -4.909 3.111 -2.693 356 1HG2 VAL 42 1HG2 VAL 42 -4.058 4.486 0.629 357 2HG2 VAL 42 2HG2 VAL 42 -3.124 4.364 -0.861 358 3HG2 VAL 42 3HG2 VAL 42 -2.778 3.282 0.488 359 H GLY 43 H GLY 43 -6.963 1.225 0.643 360 1HA GLY 43 1HA GLY 43 -8.081 -0.032 -1.681 361 2HA GLY 43 2HA GLY 43 -8.471 -0.446 -0.010 362 H GLN 44 H GLN 44 -9.569 1.964 0.926 363 HA GLN 44 HA GLN 44 -12.260 1.847 -0.131 364 1HB GLN 44 1HB GLN 44 -10.722 3.602 1.756 365 2HB GLN 44 2HB GLN 44 -12.286 4.178 1.184 366 1HG GLN 44 1HG GLN 44 -12.275 1.351 2.039 367 2HG GLN 44 2HG GLN 44 -11.942 2.502 3.332 368 1HE2 GLN 44 1HE2 GLN 44 -14.137 2.777 0.448 369 2HE2 GLN 44 2HE2 GLN 44 -15.519 3.115 1.374 370 H ILE 45 H ILE 45 -9.551 4.139 -0.695 371 HA ILE 45 HA ILE 45 -10.996 6.008 -2.336 372 HB ILE 45 HB ILE 45 -8.075 5.135 -2.308 373 1HG1 ILE 45 1HG1 ILE 45 -9.206 7.713 -1.240 374 2HG1 ILE 45 2HG1 ILE 45 -9.278 6.243 -0.269 375 1HG2 ILE 45 1HG2 ILE 45 -7.538 7.146 -3.537 376 2HG2 ILE 45 2HG2 ILE 45 -9.219 7.678 -3.499 377 3HG2 ILE 45 3HG2 ILE 45 -8.760 6.273 -4.462 378 1HD1 ILE 45 1HD1 ILE 45 -7.225 7.661 0.136 379 2HD1 ILE 45 2HD1 ILE 45 -6.726 7.296 -1.515 380 3HD1 ILE 45 3HD1 ILE 45 -6.879 5.998 -0.332 381 H LEU 46 H LEU 46 -9.289 2.964 -3.195 382 HA LEU 46 HA LEU 46 -9.884 3.269 -6.057 383 1HB LEU 46 1HB LEU 46 -8.015 1.893 -4.774 384 2HB LEU 46 2HB LEU 46 -9.251 0.638 -4.743 385 HG LEU 46 HG LEU 46 -7.826 0.365 -6.712 386 1HD1 LEU 46 1HD1 LEU 46 -9.524 0.036 -8.282 387 2HD1 LEU 46 2HD1 LEU 46 -10.382 1.504 -7.808 388 3HD1 LEU 46 3HD1 LEU 46 -10.429 0.079 -6.767 389 1HD2 LEU 46 1HD2 LEU 46 -7.532 2.062 -8.361 390 2HD2 LEU 46 2HD2 LEU 46 -7.272 2.860 -6.812 391 3HD2 LEU 46 3HD2 LEU 46 -8.801 3.066 -7.664 392 H LYS 47 H LYS 47 -11.377 1.557 -3.292 393 HA LYS 47 HA LYS 47 -13.332 0.156 -4.957 394 1HB LYS 47 1HB LYS 47 -12.466 -0.513 -2.639 395 2HB LYS 47 2HB LYS 47 -13.504 0.757 -1.989 396 1HG LYS 47 1HG LYS 47 -14.776 -1.122 -3.910 397 2HG LYS 47 2HG LYS 47 -14.351 -1.787 -2.332 398 1HD LYS 47 1HD LYS 47 -15.740 0.864 -2.435 399 2HD LYS 47 2HD LYS 47 -16.690 -0.596 -2.708 400 1HE LYS 47 1HE LYS 47 -15.318 -1.401 -0.529 401 2HE LYS 47 2HE LYS 47 -15.357 0.346 -0.216 402 1HZ LYS 47 1HZ LYS 47 -17.364 -0.848 0.589 403 2HZ LYS 47 2HZ LYS 47 -17.728 -1.251 -1.021 404 3HZ LYS 47 3HZ LYS 47 -17.708 0.377 -0.532 405 H GLU 48 H GLU 48 -13.199 3.345 -3.355 406 HA GLU 48 HA GLU 48 -15.954 3.927 -3.171 407 1HB GLU 48 1HB GLU 48 -13.451 5.493 -3.601 408 2HB GLU 48 2HB GLU 48 -14.973 6.333 -3.899 409 1HG GLU 48 1HG GLU 48 -15.589 5.136 -1.560 410 2HG GLU 48 2HG GLU 48 -13.845 5.305 -1.346 411 HA PRO 49 HA PRO 49 -17.114 3.724 -7.476 412 1HB PRO 49 1HB PRO 49 -19.596 4.864 -7.295 413 2HB PRO 49 2HB PRO 49 -19.257 3.197 -6.789 414 1HG PRO 49 1HG PRO 49 -19.517 5.660 -5.138 415 2HG PRO 49 2HG PRO 49 -20.091 4.017 -4.813 416 1HD PRO 49 1HD PRO 49 -17.854 5.063 -3.678 417 2HD PRO 49 2HD PRO 49 -18.062 3.327 -3.999 418 H LYS 50 H LYS 50 -17.392 6.792 -5.636 419 HA LYS 50 HA LYS 50 -17.544 8.441 -8.070 420 1HB LYS 50 1HB LYS 50 -18.255 8.861 -5.510 421 2HB LYS 50 2HB LYS 50 -16.629 9.543 -5.440 422 1HG LYS 50 1HG LYS 50 -17.132 11.066 -7.265 423 2HG LYS 50 2HG LYS 50 -18.711 10.317 -7.504 424 1HD LYS 50 1HD LYS 50 -18.923 10.928 -4.889 425 2HD LYS 50 2HD LYS 50 -17.812 12.206 -5.388 426 1HE LYS 50 1HE LYS 50 -20.397 11.607 -6.863 427 2HE LYS 50 2HE LYS 50 -20.262 12.835 -5.588 428 1HZ LYS 50 1HZ LYS 50 -18.353 13.770 -6.826 429 2HZ LYS 50 2HZ LYS 50 -19.816 13.877 -7.684 430 3HZ LYS 50 3HZ LYS 50 -18.672 12.689 -8.093 431 H MET 51 H MET 51 -14.979 7.286 -5.868 432 HA MET 51 HA MET 51 -12.922 8.911 -7.253 433 1HB MET 51 1HB MET 51 -12.902 8.575 -4.800 434 2HB MET 51 2HB MET 51 -12.762 6.836 -5.044 435 1HG MET 51 1HG MET 51 -10.533 7.156 -4.995 436 2HG MET 51 2HG MET 51 -10.709 7.828 -6.609 437 1HE MET 51 1HE MET 51 -8.098 9.934 -4.756 438 2HE MET 51 2HE MET 51 -8.598 9.852 -6.444 439 3HE MET 51 3HE MET 51 -8.444 8.369 -5.506 440 H ALA 52 H ALA 52 -14.068 5.520 -7.189 441 HA ALA 52 HA ALA 52 -11.828 4.257 -8.431 442 1HB ALA 52 1HB ALA 52 -13.503 2.794 -7.684 443 2HB ALA 52 2HB ALA 52 -13.802 2.783 -9.422 444 3HB ALA 52 3HB ALA 52 -14.801 3.778 -8.361 445 H ALA 53 H ALA 53 -14.561 6.048 -9.921 446 HA ALA 53 HA ALA 53 -13.985 5.486 -12.663 447 1HB ALA 53 1HB ALA 53 -15.091 7.748 -13.039 448 2HB ALA 53 2HB ALA 53 -15.092 7.956 -11.287 449 3HB ALA 53 3HB ALA 53 -16.012 6.641 -12.020 450 H SER 54 H SER 54 -12.448 7.835 -10.434 451 HA SER 54 HA SER 54 -10.902 9.157 -12.537 452 1HB SER 54 1HB SER 54 -10.619 9.037 -9.514 453 2HB SER 54 2HB SER 54 -9.657 10.090 -10.547 454 HG SER 54 HG SER 54 -11.520 11.138 -11.172 455 H LEU 55 H LEU 55 -9.902 6.882 -9.893 456 HA LEU 55 HA LEU 55 -7.226 6.515 -10.833 457 1HB LEU 55 1HB LEU 55 -9.130 4.806 -9.224 458 2HB LEU 55 2HB LEU 55 -7.487 4.267 -9.571 459 HG LEU 55 HG LEU 55 -7.050 6.850 -8.733 460 1HD1 LEU 55 1HD1 LEU 55 -8.461 6.607 -6.444 461 2HD1 LEU 55 2HD1 LEU 55 -9.597 5.855 -7.564 462 3HD1 LEU 55 3HD1 LEU 55 -9.055 7.510 -7.839 463 1HD2 LEU 55 1HD2 LEU 55 -6.265 4.354 -7.983 464 2HD2 LEU 55 2HD2 LEU 55 -7.198 4.830 -6.563 465 3HD2 LEU 55 3HD2 LEU 55 -5.836 5.817 -7.094 466 H LEU 56 H LEU 56 -10.247 5.061 -12.029 467 HA LEU 56 HA LEU 56 -8.713 3.108 -13.675 468 1HB LEU 56 1HB LEU 56 -10.775 2.440 -12.465 469 2HB LEU 56 2HB LEU 56 -11.693 3.626 -13.392 470 HG LEU 56 HG LEU 56 -10.048 1.705 -14.959 471 1HD1 LEU 56 1HD1 LEU 56 -12.673 0.889 -13.679 472 2HD1 LEU 56 2HD1 LEU 56 -11.093 0.313 -13.150 473 3HD1 LEU 56 3HD1 LEU 56 -11.680 -0.084 -14.764 474 1HD2 LEU 56 1HD2 LEU 56 -11.876 3.622 -15.579 475 2HD2 LEU 56 2HD2 LEU 56 -12.926 2.209 -15.493 476 3HD2 LEU 56 3HD2 LEU 56 -11.556 2.223 -16.603 477 H ASN 57 H ASN 57 -10.522 6.166 -14.080 478 HA ASN 57 HA ASN 57 -11.063 6.145 -16.841 479 1HB ASN 57 1HB ASN 57 -10.452 8.201 -14.789 480 2HB ASN 57 2HB ASN 57 -10.272 8.720 -16.464 481 1HD2 ASN 57 1HD2 ASN 57 -12.242 10.086 -16.352 482 2HD2 ASN 57 2HD2 ASN 57 -13.781 9.374 -16.303 483 HA PRO 58 HA PRO 58 -7.063 6.120 -18.726 484 1HB PRO 58 1HB PRO 58 -7.735 6.959 -21.233 485 2HB PRO 58 2HB PRO 58 -8.105 5.335 -20.625 486 1HG PRO 58 1HG PRO 58 -9.885 7.662 -20.996 487 2HG PRO 58 2HG PRO 58 -10.245 5.933 -21.093 488 1HD PRO 58 1HD PRO 58 -10.832 7.616 -18.943 489 2HD PRO 58 2HD PRO 58 -10.841 5.840 -18.915 490 H TYR 59 H TYR 59 -8.699 9.023 -17.974 491 HA TYR 59 HA TYR 59 -6.848 10.816 -19.425 492 1HB TYR 59 1HB TYR 59 -9.087 11.301 -17.422 493 2HB TYR 59 2HB TYR 59 -8.252 12.567 -18.331 494 HD1 TYR 59 HD1 TYR 59 -10.634 9.766 -18.522 495 HD2 TYR 59 HD2 TYR 59 -8.559 12.794 -20.757 496 HE1 TYR 59 HE1 TYR 59 -12.137 9.373 -20.448 497 HE2 TYR 59 HE2 TYR 59 -10.071 12.404 -22.683 498 HH TYR 59 HH TYR 59 -11.703 9.900 -23.260 499 H VAL 60 H VAL 60 -7.405 9.622 -16.083 500 HA VAL 60 HA VAL 60 -5.695 11.422 -14.677 501 HB VAL 60 HB VAL 60 -6.193 8.453 -14.241 502 1HG1 VAL 60 1HG1 VAL 60 -5.759 9.392 -11.771 503 2HG1 VAL 60 2HG1 VAL 60 -4.740 10.528 -12.653 504 3HG1 VAL 60 3HG1 VAL 60 -4.439 8.794 -12.775 505 1HG2 VAL 60 1HG2 VAL 60 -7.626 10.991 -13.529 506 2HG2 VAL 60 2HG2 VAL 60 -7.714 9.624 -12.417 507 3HG2 VAL 60 3HG2 VAL 60 -8.291 9.451 -14.075 508 H LYS 61 H LYS 61 -4.787 8.735 -16.844 509 HA LYS 61 HA LYS 61 -2.677 8.048 -17.616 510 1HB LYS 61 1HB LYS 61 -2.780 10.785 -17.599 511 2HB LYS 61 2HB LYS 61 -1.350 10.494 -16.608 512 1HG LYS 61 1HG LYS 61 -0.151 9.617 -18.352 513 2HG LYS 61 2HG LYS 61 -1.571 8.875 -19.090 514 1HD LYS 61 1HD LYS 61 -1.170 10.581 -20.609 515 2HD LYS 61 2HD LYS 61 -2.262 11.407 -19.498 516 1HE LYS 61 1HE LYS 61 0.121 11.871 -18.259 517 2HE LYS 61 2HE LYS 61 0.632 11.849 -19.959 518 1HZ LYS 61 1HZ LYS 61 -0.180 14.050 -19.260 519 2HZ LYS 61 2HZ LYS 61 -1.695 13.369 -18.906 520 3HZ LYS 61 3HZ LYS 61 -1.120 13.386 -20.505 521 H ARG 62 H ARG 62 -0.119 8.189 -16.695 522 HA ARG 62 HA ARG 62 -0.343 7.065 -13.923 523 1HB ARG 62 1HB ARG 62 0.519 5.659 -15.825 524 2HB ARG 62 2HB ARG 62 1.858 6.793 -16.000 525 1HG ARG 62 1HG ARG 62 2.778 5.141 -14.612 526 2HG ARG 62 2HG ARG 62 2.236 6.353 -13.451 527 1HD ARG 62 1HD ARG 62 1.333 4.393 -12.528 528 2HD ARG 62 2HD ARG 62 -0.022 4.952 -13.530 529 HE ARG 62 HE ARG 62 1.814 2.724 -14.201 530 1HH1 ARG 62 1HH1 ARG 62 -1.298 2.899 -14.213 531 2HH1 ARG 62 2HH1 ARG 62 -1.595 2.816 -15.917 532 1HH2 ARG 62 1HH2 ARG 62 1.697 3.473 -16.789 533 2HH2 ARG 62 2HH2 ARG 62 0.102 3.141 -17.376 534 H SER 63 H SER 63 2.003 8.998 -15.901 535 HA SER 63 HA SER 63 3.576 9.943 -13.708 536 1HB SER 63 1HB SER 63 4.229 10.211 -16.066 537 2HB SER 63 2HB SER 63 2.866 11.291 -16.342 538 HG SER 63 HG SER 63 4.715 12.506 -15.954 539 H VAL 64 H VAL 64 0.590 11.325 -15.152 540 HA VAL 64 HA VAL 64 0.527 13.674 -13.439 541 HB VAL 64 HB VAL 64 -1.708 12.162 -14.857 542 1HG1 VAL 64 1HG1 VAL 64 -2.636 14.629 -14.834 543 2HG1 VAL 64 2HG1 VAL 64 -1.564 14.814 -13.446 544 3HG1 VAL 64 3HG1 VAL 64 -2.847 13.605 -13.414 545 1HG2 VAL 64 1HG2 VAL 64 -1.341 14.144 -16.495 546 2HG2 VAL 64 2HG2 VAL 64 -0.176 12.821 -16.529 547 3HG2 VAL 64 3HG2 VAL 64 0.222 14.325 -15.699 548 H LYS 65 H LYS 65 -0.914 10.390 -13.174 549 HA LYS 65 HA LYS 65 -2.420 10.836 -10.771 550 1HB LYS 65 1HB LYS 65 -2.499 8.819 -12.296 551 2HB LYS 65 2HB LYS 65 -0.968 8.296 -11.594 552 1HG LYS 65 1HG LYS 65 -1.997 8.243 -9.359 553 2HG LYS 65 2HG LYS 65 -3.528 8.789 -10.044 554 1HD LYS 65 1HD LYS 65 -3.118 6.681 -11.644 555 2HD LYS 65 2HD LYS 65 -2.209 6.121 -10.240 556 1HE LYS 65 1HE LYS 65 -4.096 5.959 -8.910 557 2HE LYS 65 2HE LYS 65 -4.930 7.277 -9.758 558 1HZ LYS 65 1HZ LYS 65 -5.777 5.001 -10.298 559 2HZ LYS 65 2HZ LYS 65 -4.276 4.672 -11.022 560 3HZ LYS 65 3HZ LYS 65 -5.272 5.901 -11.644 561 H VAL 66 H VAL 66 1.053 10.044 -11.243 562 HA VAL 66 HA VAL 66 1.697 9.452 -8.510 563 HB VAL 66 HB VAL 66 3.378 10.839 -10.639 564 1HG1 VAL 66 1HG1 VAL 66 4.629 9.077 -8.607 565 2HG1 VAL 66 2HG1 VAL 66 4.019 10.614 -7.997 566 3HG1 VAL 66 3HG1 VAL 66 5.211 10.593 -9.295 567 1HG2 VAL 66 1HG2 VAL 66 2.978 8.830 -11.670 568 2HG2 VAL 66 2HG2 VAL 66 2.534 8.028 -10.164 569 3HG2 VAL 66 3HG2 VAL 66 4.235 8.264 -10.570 570 H LYS 67 H LYS 67 1.492 12.614 -10.216 571 HA LYS 67 HA LYS 67 2.425 14.183 -7.952 572 1HB LYS 67 1HB LYS 67 2.201 14.845 -10.443 573 2HB LYS 67 2HB LYS 67 0.494 15.118 -10.094 574 1HG LYS 67 1HG LYS 67 1.267 16.614 -8.172 575 2HG LYS 67 2HG LYS 67 2.881 16.518 -8.875 576 1HD LYS 67 1HD LYS 67 0.525 17.296 -10.580 577 2HD LYS 67 2HD LYS 67 1.337 18.498 -9.577 578 1HE LYS 67 1HE LYS 67 3.520 17.827 -10.654 579 2HE LYS 67 2HE LYS 67 2.585 16.813 -11.773 580 1HZ LYS 67 1HZ LYS 67 1.218 18.802 -12.268 581 2HZ LYS 67 2HZ LYS 67 2.836 18.965 -12.757 582 3HZ LYS 67 3HZ LYS 67 2.291 19.739 -11.347 583 H SER 68 H SER 68 -0.848 13.199 -9.067 584 HA SER 68 HA SER 68 -2.298 14.663 -7.030 585 1HB SER 68 1HB SER 68 -3.360 12.057 -8.025 586 2HB SER 68 2HB SER 68 -4.144 13.634 -7.962 587 HG SER 68 HG SER 68 -3.722 13.316 -10.077 588 H LEU 69 H LEU 69 -0.919 11.342 -7.112 589 HA LEU 69 HA LEU 69 -2.027 10.471 -4.591 590 1HB LEU 69 1HB LEU 69 0.334 9.697 -6.299 591 2HB LEU 69 2HB LEU 69 0.130 8.962 -4.707 592 HG LEU 69 HG LEU 69 -2.056 9.020 -6.801 593 1HD1 LEU 69 1HD1 LEU 69 0.002 7.730 -7.508 594 2HD1 LEU 69 2HD1 LEU 69 -1.460 6.754 -7.365 595 3HD1 LEU 69 3HD1 LEU 69 -0.238 6.703 -6.095 596 1HD2 LEU 69 1HD2 LEU 69 -1.674 7.790 -4.086 597 2HD2 LEU 69 2HD2 LEU 69 -2.713 6.986 -5.262 598 3HD2 LEU 69 3HD2 LEU 69 -3.082 8.629 -4.738 599 H SER 70 H SER 70 1.042 12.174 -5.390 600 HA SER 70 HA SER 70 2.069 12.139 -2.673 601 1HB SER 70 1HB SER 70 3.270 12.660 -4.920 602 2HB SER 70 2HB SER 70 2.630 14.289 -4.729 603 HG SER 70 HG SER 70 4.768 13.886 -3.810 604 H ASP 71 H ASP 71 0.100 14.523 -4.508 605 HA ASP 71 HA ASP 71 0.005 16.461 -2.339 606 1HB ASP 71 1HB ASP 71 -0.535 16.660 -4.911 607 2HB ASP 71 2HB ASP 71 -2.159 16.178 -4.416 608 H MET 72 H MET 72 -1.676 13.417 -2.802 609 HA MET 72 HA MET 72 -3.913 14.210 -1.008 610 1HB MET 72 1HB MET 72 -4.140 12.663 -3.033 611 2HB MET 72 2HB MET 72 -3.197 11.475 -2.132 612 1HG MET 72 1HG MET 72 -4.992 11.980 -0.244 613 2HG MET 72 2HG MET 72 -5.974 12.473 -1.624 614 1HE MET 72 1HE MET 72 -4.173 9.764 0.291 615 2HE MET 72 2HE MET 72 -3.174 9.729 -1.159 616 3HE MET 72 3HE MET 72 -4.180 8.340 -0.759 617 H THR 73 H THR 73 -1.078 12.011 -1.073 618 HA THR 73 HA THR 73 -1.351 11.061 1.639 619 HB THR 73 HB THR 73 0.750 11.133 -0.504 620 HG1 THR 73 HG1 THR 73 -0.553 9.379 -0.401 621 1HG2 THR 73 1HG2 THR 73 2.353 9.986 1.140 622 2HG2 THR 73 2HG2 THR 73 1.397 10.744 2.414 623 3HG2 THR 73 3HG2 THR 73 2.232 11.743 1.223 624 H ALA 74 H ALA 74 0.218 13.986 0.237 625 HA ALA 74 HA ALA 74 1.520 14.837 2.684 626 1HB ALA 74 1HB ALA 74 1.294 17.140 1.445 627 2HB ALA 74 2HB ALA 74 0.637 16.171 0.126 628 3HB ALA 74 3HB ALA 74 2.275 15.874 0.706 629 H LYS 75 H LYS 75 -1.748 15.474 1.333 630 HA LYS 75 HA LYS 75 -2.437 17.225 3.626 631 1HB LYS 75 1HB LYS 75 -3.225 17.604 1.266 632 2HB LYS 75 2HB LYS 75 -4.180 16.126 1.394 633 1HG LYS 75 1HG LYS 75 -5.616 18.019 1.905 634 2HG LYS 75 2HG LYS 75 -5.334 17.112 3.391 635 1HD LYS 75 1HD LYS 75 -3.709 18.700 4.156 636 2HD LYS 75 2HD LYS 75 -3.665 19.505 2.586 637 1HE LYS 75 1HE LYS 75 -5.071 20.920 3.853 638 2HE LYS 75 2HE LYS 75 -6.238 19.879 3.015 639 1HZ LYS 75 1HZ LYS 75 -5.123 19.427 5.732 640 2HZ LYS 75 2HZ LYS 75 -6.165 18.361 4.916 641 3HZ LYS 75 3HZ LYS 75 -6.712 19.903 5.374 642 H GLU 76 H GLU 76 -2.979 13.839 2.626 643 HA GLU 76 HA GLU 76 -5.101 13.314 4.547 644 1HB GLU 76 1HB GLU 76 -4.381 12.024 2.406 645 2HB GLU 76 2HB GLU 76 -3.203 11.242 3.459 646 1HG GLU 76 1HG GLU 76 -5.364 10.957 5.015 647 2HG GLU 76 2HG GLU 76 -6.178 11.025 3.451 648 H LYS 77 H LYS 77 -1.696 13.789 5.077 649 HA LYS 77 HA LYS 77 -0.360 13.427 6.969 650 1HB LYS 77 1HB LYS 77 -3.178 13.617 7.889 651 2HB LYS 77 2HB LYS 77 -2.063 12.879 9.037 652 1HG LYS 77 1HG LYS 77 -0.554 14.829 8.812 653 2HG LYS 77 2HG LYS 77 -1.700 15.574 7.696 654 1HD LYS 77 1HD LYS 77 -2.659 14.674 10.394 655 2HD LYS 77 2HD LYS 77 -1.778 16.195 10.255 656 1HE LYS 77 1HE LYS 77 -3.922 15.782 8.239 657 2HE LYS 77 2HE LYS 77 -4.466 16.032 9.910 658 1HZ LYS 77 1HZ LYS 77 -2.597 17.747 8.364 659 2HZ LYS 77 2HZ LYS 77 -2.891 17.924 10.028 660 3HZ LYS 77 3HZ LYS 77 -4.147 18.166 8.910 661 H PHE 78 H PHE 78 -0.553 11.210 5.284 662 HA PHE 78 HA PHE 78 -1.493 8.769 6.416 663 1HB PHE 78 1HB PHE 78 0.424 9.593 4.338 664 2HB PHE 78 2HB PHE 78 0.831 8.049 5.080 665 HD1 PHE 78 HD1 PHE 78 -1.589 6.723 5.693 666 HD2 PHE 78 HD2 PHE 78 -0.768 9.294 2.350 667 HE1 PHE 78 HE1 PHE 78 -3.415 5.639 4.407 668 HE2 PHE 78 HE2 PHE 78 -2.589 8.204 1.063 669 HZ PHE 78 HZ PHE 78 -3.914 6.377 2.094 670 H SER 79 H SER 79 0.495 6.973 6.894 671 HA SER 79 HA SER 79 1.677 7.989 9.423 672 1HB SER 79 1HB SER 79 0.423 5.544 8.484 673 2HB SER 79 2HB SER 79 2.013 5.188 9.140 674 HG SER 79 HG SER 79 -0.208 6.427 10.365 675 HA PRO 80 HA PRO 80 5.770 7.576 7.947 676 1HB PRO 80 1HB PRO 80 7.086 5.836 9.578 677 2HB PRO 80 2HB PRO 80 6.630 7.481 10.057 678 1HG PRO 80 1HG PRO 80 5.300 4.895 10.685 679 2HG PRO 80 2HG PRO 80 5.576 6.303 11.723 680 1HD PRO 80 1HD PRO 80 3.196 5.779 10.557 681 2HD PRO 80 2HD PRO 80 3.751 7.427 10.912 682 H LEU 81 H LEU 81 3.861 4.646 7.893 683 HA LEU 81 HA LEU 81 5.870 3.460 6.020 684 1HB LEU 81 1HB LEU 81 4.186 2.402 8.231 685 2HB LEU 81 2HB LEU 81 4.293 1.389 6.780 686 HG LEU 81 HG LEU 81 6.829 2.578 7.833 687 1HD1 LEU 81 1HD1 LEU 81 6.214 1.730 9.901 688 2HD1 LEU 81 2HD1 LEU 81 6.946 0.300 9.175 689 3HD1 LEU 81 3HD1 LEU 81 5.193 0.477 9.199 690 1HD2 LEU 81 1HD2 LEU 81 7.361 0.015 7.175 691 2HD2 LEU 81 2HD2 LEU 81 7.324 1.313 5.981 692 3HD2 LEU 81 3HD2 LEU 81 5.919 0.268 6.191 693 H THR 82 H THR 82 3.480 5.403 5.511 694 HA THR 82 HA THR 82 2.118 3.607 3.561 695 HB THR 82 HB THR 82 0.721 5.942 4.879 696 HG1 THR 82 HG1 THR 82 1.300 4.814 6.643 697 1HG2 THR 82 1HG2 THR 82 -0.939 3.722 4.541 698 2HG2 THR 82 2HG2 THR 82 0.109 3.662 3.130 699 3HG2 THR 82 3HG2 THR 82 -0.839 5.106 3.459 700 H SER 83 H SER 83 4.411 5.839 3.425 701 HA SER 83 HA SER 83 3.149 7.249 1.105 702 1HB SER 83 1HB SER 83 5.106 8.156 3.244 703 2HB SER 83 2HB SER 83 4.991 9.006 1.705 704 HG SER 83 HG SER 83 3.046 8.668 3.723 705 H ASN 84 H ASN 84 4.150 4.767 0.836 706 HA ASN 84 HA ASN 84 6.461 5.124 -0.985 707 1HB ASN 84 1HB ASN 84 6.942 4.481 1.652 708 2HB ASN 84 2HB ASN 84 6.761 2.879 0.937 709 1HD2 ASN 84 1HD2 ASN 84 9.322 4.077 1.918 710 2HD2 ASN 84 2HD2 ASN 84 10.344 4.149 0.565 711 H LEU 85 H LEU 85 4.604 2.595 0.799 712 HA LEU 85 HA LEU 85 4.306 0.754 -1.375 713 1HB LEU 85 1HB LEU 85 3.795 0.194 0.975 714 2HB LEU 85 2HB LEU 85 2.500 1.388 1.002 715 HG LEU 85 HG LEU 85 1.285 0.118 -0.736 716 1HD1 LEU 85 1HD1 LEU 85 3.786 -1.542 -0.625 717 2HD1 LEU 85 2HD1 LEU 85 2.860 -1.015 -2.031 718 3HD1 LEU 85 3HD1 LEU 85 2.254 -2.325 -1.017 719 1HD2 LEU 85 1HD2 LEU 85 2.006 -1.946 1.311 720 2HD2 LEU 85 2HD2 LEU 85 0.414 -1.442 0.745 721 3HD2 LEU 85 3HD2 LEU 85 1.315 -0.424 1.870 722 H ILE 86 H ILE 86 2.621 3.849 -0.629 723 HA ILE 86 HA ILE 86 0.345 3.422 -2.346 724 HB ILE 86 HB ILE 86 1.742 5.753 -1.074 725 1HG1 ILE 86 1HG1 ILE 86 -0.539 6.201 -0.252 726 2HG1 ILE 86 2HG1 ILE 86 -1.169 4.922 -1.286 727 1HG2 ILE 86 1HG2 ILE 86 -0.128 7.204 -2.269 728 2HG2 ILE 86 2HG2 ILE 86 0.053 5.999 -3.544 729 3HG2 ILE 86 3HG2 ILE 86 1.441 6.963 -3.039 730 1HD1 ILE 86 1HD1 ILE 86 -0.688 4.362 1.206 731 2HD1 ILE 86 2HD1 ILE 86 1.005 4.339 0.714 732 3HD1 ILE 86 3HD1 ILE 86 -0.144 3.223 -0.026 733 H ASN 87 H ASN 87 3.629 4.734 -2.990 734 HA ASN 87 HA ASN 87 3.214 5.424 -5.751 735 1HB ASN 87 1HB ASN 87 5.652 4.489 -4.200 736 2HB ASN 87 2HB ASN 87 5.742 5.045 -5.872 737 1HD2 ASN 87 1HD2 ASN 87 5.707 7.339 -6.245 738 2HD2 ASN 87 2HD2 ASN 87 5.523 8.473 -4.995 739 H LEU 88 H LEU 88 4.535 2.372 -4.331 740 HA LEU 88 HA LEU 88 4.852 0.875 -6.716 741 1HB LEU 88 1HB LEU 88 4.030 0.112 -3.902 742 2HB LEU 88 2HB LEU 88 4.279 -1.107 -5.151 743 HG LEU 88 HG LEU 88 6.412 0.949 -4.797 744 1HD1 LEU 88 1HD1 LEU 88 6.410 0.497 -2.544 745 2HD1 LEU 88 2HD1 LEU 88 7.311 -0.922 -3.079 746 3HD1 LEU 88 3HD1 LEU 88 5.583 -1.047 -2.747 747 1HD2 LEU 88 1HD2 LEU 88 6.542 -0.799 -6.542 748 2HD2 LEU 88 2HD2 LEU 88 6.404 -2.047 -5.302 749 3HD2 LEU 88 3HD2 LEU 88 7.825 -1.003 -5.349 750 H LEU 89 H LEU 89 1.865 1.383 -4.777 751 HA LEU 89 HA LEU 89 0.168 -0.391 -6.283 752 1HB LEU 89 1HB LEU 89 -0.271 2.092 -4.614 753 2HB LEU 89 2HB LEU 89 -1.628 1.325 -5.439 754 HG LEU 89 HG LEU 89 0.267 -0.124 -3.568 755 1HD1 LEU 89 1HD1 LEU 89 -2.443 1.146 -3.128 756 2HD1 LEU 89 2HD1 LEU 89 -0.966 1.381 -2.195 757 3HD1 LEU 89 3HD1 LEU 89 -1.838 -0.147 -2.092 758 1HD2 LEU 89 1HD2 LEU 89 -2.227 -0.867 -5.095 759 2HD2 LEU 89 2HD2 LEU 89 -1.756 -1.752 -3.644 760 3HD2 LEU 89 3HD2 LEU 89 -0.679 -1.709 -5.042 761 H ALA 90 H ALA 90 1.001 3.072 -6.762 762 HA ALA 90 HA ALA 90 -0.426 2.972 -9.395 763 1HB ALA 90 1HB ALA 90 -0.350 5.427 -9.223 764 2HB ALA 90 2HB ALA 90 0.641 5.307 -7.770 765 3HB ALA 90 3HB ALA 90 -1.029 4.741 -7.747 766 H GLU 91 H GLU 91 2.332 1.761 -8.845 767 HA GLU 91 HA GLU 91 4.078 3.614 -10.417 768 1HB GLU 91 1HB GLU 91 4.925 2.614 -8.309 769 2HB GLU 91 2HB GLU 91 4.654 1.002 -8.970 770 1HG GLU 91 1HG GLU 91 6.194 1.680 -10.892 771 2HG GLU 91 2HG GLU 91 6.622 3.092 -9.923 772 H ASN 92 H ASN 92 2.908 0.189 -10.480 773 HA ASN 92 HA ASN 92 3.488 0.197 -13.429 774 1HB ASN 92 1HB ASN 92 3.841 -1.867 -11.255 775 2HB ASN 92 2HB ASN 92 3.753 -2.340 -12.952 776 1HD2 ASN 92 1HD2 ASN 92 5.925 -1.258 -10.517 777 2HD2 ASN 92 2HD2 ASN 92 7.208 -0.827 -11.540 778 H GLY 93 H GLY 93 0.888 0.920 -12.036 779 1HA GLY 93 1HA GLY 93 -1.362 0.532 -12.609 780 2HA GLY 93 2HA GLY 93 -0.842 -0.840 -13.591 781 H ARG 94 H ARG 94 -0.439 -0.101 -10.079 782 HA ARG 94 HA ARG 94 -1.491 -2.851 -9.549 783 1HB ARG 94 1HB ARG 94 0.564 -1.060 -8.365 784 2HB ARG 94 2HB ARG 94 -0.330 -2.071 -7.231 785 1HG ARG 94 1HG ARG 94 0.343 -3.717 -9.462 786 2HG ARG 94 2HG ARG 94 1.798 -2.830 -9.017 787 1HD ARG 94 1HD ARG 94 2.020 -3.956 -7.039 788 2HD ARG 94 2HD ARG 94 0.274 -3.927 -6.724 789 HE ARG 94 HE ARG 94 0.055 -5.958 -7.944 790 1HH1 ARG 94 1HH1 ARG 94 1.708 -5.047 -10.314 791 2HH1 ARG 94 2HH1 ARG 94 3.029 -6.166 -10.264 792 1HH2 ARG 94 1HH2 ARG 94 2.386 -7.186 -7.013 793 2HH2 ARG 94 2HH2 ARG 94 3.413 -7.377 -8.395 794 H LEU 95 H LEU 95 -3.230 -0.338 -9.937 795 HA LEU 95 HA LEU 95 -4.397 -0.197 -7.177 796 1HB LEU 95 1HB LEU 95 -4.446 1.611 -9.606 797 2HB LEU 95 2HB LEU 95 -5.568 1.835 -8.265 798 HG LEU 95 HG LEU 95 -2.561 1.707 -7.930 799 1HD1 LEU 95 1HD1 LEU 95 -3.167 4.269 -7.375 800 2HD1 LEU 95 2HD1 LEU 95 -4.401 3.950 -8.595 801 3HD1 LEU 95 3HD1 LEU 95 -2.695 3.740 -8.991 802 1HD2 LEU 95 1HD2 LEU 95 -3.226 2.844 -5.730 803 2HD2 LEU 95 2HD2 LEU 95 -3.662 1.141 -5.885 804 3HD2 LEU 95 3HD2 LEU 95 -4.887 2.389 -6.117 805 H THR 96 H THR 96 -4.792 -2.449 -9.143 806 HA THR 96 HA THR 96 -7.724 -2.169 -9.706 807 HB THR 96 HB THR 96 -7.306 -4.069 -11.256 808 HG1 THR 96 HG1 THR 96 -5.263 -4.901 -11.440 809 1HG2 THR 96 1HG2 THR 96 -5.558 -2.864 -12.726 810 2HG2 THR 96 2HG2 THR 96 -5.521 -1.647 -11.449 811 3HG2 THR 96 3HG2 THR 96 -7.024 -1.975 -12.311 812 H ASN 97 H ASN 97 -5.245 -4.520 -8.522 813 HA ASN 97 HA ASN 97 -7.345 -5.814 -6.834 814 1HB ASN 97 1HB ASN 97 -4.537 -6.626 -7.686 815 2HB ASN 97 2HB ASN 97 -5.592 -7.608 -6.665 816 1HD2 ASN 97 1HD2 ASN 97 -4.902 -6.702 -9.981 817 2HD2 ASN 97 2HD2 ASN 97 -6.167 -7.587 -10.686 818 H THR 98 H THR 98 -6.208 -3.141 -6.143 819 HA THR 98 HA THR 98 -4.091 -3.440 -4.232 820 HB THR 98 HB THR 98 -4.720 -1.329 -5.402 821 HG1 THR 98 HG1 THR 98 -4.097 -0.126 -3.714 822 1HG2 THR 98 1HG2 THR 98 -7.136 -1.409 -5.239 823 2HG2 THR 98 2HG2 THR 98 -6.571 0.017 -4.371 824 3HG2 THR 98 3HG2 THR 98 -7.058 -1.423 -3.478 825 HA PRO 99 HA PRO 99 -7.638 -3.453 -0.929 826 1HB PRO 99 1HB PRO 99 -9.736 -5.124 -1.537 827 2HB PRO 99 2HB PRO 99 -9.778 -3.366 -1.784 828 1HG PRO 99 1HG PRO 99 -9.189 -5.536 -3.750 829 2HG PRO 99 2HG PRO 99 -10.216 -4.101 -3.932 830 1HD PRO 99 1HD PRO 99 -7.774 -4.168 -4.955 831 2HD PRO 99 2HD PRO 99 -8.409 -2.682 -4.237 832 H ALA 100 H ALA 100 -7.028 -6.258 -3.089 833 HA ALA 100 HA ALA 100 -7.021 -8.318 -1.086 834 1HB ALA 100 1HB ALA 100 -6.743 -8.343 -3.727 835 2HB ALA 100 2HB ALA 100 -6.029 -9.628 -2.754 836 3HB ALA 100 3HB ALA 100 -5.023 -8.302 -3.336 837 H VAL 101 H VAL 101 -4.486 -5.966 -2.054 838 HA VAL 101 HA VAL 101 -2.302 -7.089 -0.561 839 HB VAL 101 HB VAL 101 -2.964 -4.175 -1.151 840 1HG1 VAL 101 1HG1 VAL 101 -1.218 -4.063 0.403 841 2HG1 VAL 101 2HG1 VAL 101 -0.341 -4.121 -1.125 842 3HG1 VAL 101 3HG1 VAL 101 -0.501 -5.578 -0.145 843 1HG2 VAL 101 1HG2 VAL 101 -2.220 -4.494 -3.278 844 2HG2 VAL 101 2HG2 VAL 101 -2.555 -6.197 -2.975 845 3HG2 VAL 101 3HG2 VAL 101 -0.922 -5.570 -2.762 846 H ILE 102 H ILE 102 -4.935 -4.856 0.434 847 HA ILE 102 HA ILE 102 -3.873 -4.444 3.122 848 HB ILE 102 HB ILE 102 -6.697 -4.127 2.028 849 1HG1 ILE 102 1HG1 ILE 102 -4.918 -1.784 2.441 850 2HG1 ILE 102 2HG1 ILE 102 -4.482 -2.842 1.101 851 1HG2 ILE 102 1HG2 ILE 102 -6.918 -3.989 4.359 852 2HG2 ILE 102 2HG2 ILE 102 -6.650 -2.305 3.906 853 3HG2 ILE 102 3HG2 ILE 102 -5.324 -3.264 4.565 854 1HD1 ILE 102 1HD1 ILE 102 -6.747 -1.000 1.358 855 2HD1 ILE 102 2HD1 ILE 102 -7.232 -2.611 0.832 856 3HD1 ILE 102 3HD1 ILE 102 -6.034 -1.705 -0.091 857 H SER 103 H SER 103 -6.270 -6.725 1.705 858 HA SER 103 HA SER 103 -7.231 -7.834 4.176 859 1HB SER 103 1HB SER 103 -8.224 -9.451 2.803 860 2HB SER 103 2HB SER 103 -7.932 -8.164 1.637 861 HG SER 103 HG SER 103 -7.190 -10.357 1.069 862 H ALA 104 H ALA 104 -4.535 -8.950 2.048 863 HA ALA 104 HA ALA 104 -3.676 -11.154 3.658 864 1HB ALA 104 1HB ALA 104 -2.677 -10.954 1.529 865 2HB ALA 104 2HB ALA 104 -1.366 -10.481 2.610 866 3HB ALA 104 3HB ALA 104 -2.301 -9.247 1.765 867 H PHE 105 H PHE 105 -3.011 -7.653 4.012 868 HA PHE 105 HA PHE 105 -0.929 -7.781 5.972 869 1HB PHE 105 1HB PHE 105 -2.013 -5.773 4.692 870 2HB PHE 105 2HB PHE 105 -3.172 -5.749 6.018 871 HD1 PHE 105 HD1 PHE 105 -1.904 -6.029 8.456 872 HD2 PHE 105 HD2 PHE 105 -0.236 -4.306 4.894 873 HE1 PHE 105 HE1 PHE 105 -0.298 -4.756 9.823 874 HE2 PHE 105 HE2 PHE 105 1.378 -3.034 6.272 875 HZ PHE 105 HZ PHE 105 1.347 -3.266 8.737 876 H SER 106 H SER 106 -4.509 -7.681 6.421 877 HA SER 106 HA SER 106 -4.418 -7.805 9.306 878 1HB SER 106 1HB SER 106 -6.513 -8.640 7.273 879 2HB SER 106 2HB SER 106 -6.810 -8.628 9.010 880 HG SER 106 HG SER 106 -7.448 -6.661 8.151 881 H THR 107 H THR 107 -4.504 -10.394 6.817 882 HA THR 107 HA THR 107 -4.733 -12.526 8.815 883 HB THR 107 HB THR 107 -3.568 -13.118 6.141 884 HG1 THR 107 HG1 THR 107 -5.345 -12.488 5.037 885 1HG2 THR 107 1HG2 THR 107 -5.660 -14.183 7.993 886 2HG2 THR 107 2HG2 THR 107 -4.339 -15.030 7.187 887 3HG2 THR 107 3HG2 THR 107 -5.782 -14.580 6.278 888 H MET 108 H MET 108 -1.997 -10.982 7.059 889 HA MET 108 HA MET 108 -0.055 -12.868 8.191 890 1HB MET 108 1HB MET 108 0.048 -10.277 6.657 891 2HB MET 108 2HB MET 108 1.519 -10.908 7.398 892 1HG MET 108 1HG MET 108 -0.258 -12.525 5.549 893 2HG MET 108 2HG MET 108 1.175 -11.653 5.011 894 1HE MET 108 1HE MET 108 2.161 -13.251 4.024 895 2HE MET 108 2HE MET 108 2.853 -14.759 4.617 896 3HE MET 108 3HE MET 108 3.663 -13.232 4.957 897 H MET 109 H MET 109 -1.426 -9.704 9.153 898 HA MET 109 HA MET 109 0.454 -9.004 11.207 899 1HB MET 109 1HB MET 109 -1.435 -7.574 10.392 900 2HB MET 109 2HB MET 109 -2.578 -8.661 11.182 901 1HG MET 109 1HG MET 109 -1.646 -8.151 13.362 902 2HG MET 109 2HG MET 109 -0.352 -7.201 12.632 903 1HE MET 109 1HE MET 109 -3.326 -6.371 14.765 904 2HE MET 109 2HE MET 109 -3.717 -7.721 13.702 905 3HE MET 109 3HE MET 109 -4.616 -6.212 13.564 906 H SER 110 H SER 110 -2.385 -11.257 11.289 907 HA SER 110 HA SER 110 -2.317 -11.832 14.101 908 1HB SER 110 1HB SER 110 -4.087 -12.664 12.659 909 2HB SER 110 2HB SER 110 -2.933 -13.592 11.708 910 HG SER 110 HG SER 110 -3.750 -13.982 14.391 911 H VAL 111 H VAL 111 -0.251 -13.077 11.452 912 HA VAL 111 HA VAL 111 1.071 -15.076 13.125 913 HB VAL 111 HB VAL 111 1.955 -13.763 10.528 914 1HG1 VAL 111 1HG1 VAL 111 3.118 -16.051 10.302 915 2HG1 VAL 111 2HG1 VAL 111 2.841 -16.228 12.034 916 3HG1 VAL 111 3HG1 VAL 111 3.833 -14.900 11.431 917 1HG2 VAL 111 1HG2 VAL 111 1.032 -16.163 9.776 918 2HG2 VAL 111 2HG2 VAL 111 -0.028 -14.757 9.884 919 3HG2 VAL 111 3HG2 VAL 111 0.014 -15.933 11.198 920 H HIS 112 H HIS 112 1.473 -11.586 12.848 921 HA HIS 112 HA HIS 112 4.269 -11.665 13.737 922 1HB HIS 112 1HB HIS 112 4.266 -9.513 12.984 923 2HB HIS 112 2HB HIS 112 2.713 -9.919 12.275 924 HD1 HIS 112 HD1 HIS 112 0.648 -9.551 14.249 925 HD2 HIS 112 HD2 HIS 112 4.084 -7.287 14.453 926 HE1 HIS 112 HE1 HIS 112 0.081 -7.570 15.692 927 H ARG 113 H ARG 113 1.059 -11.584 15.241 928 HA ARG 113 HA ARG 113 2.230 -10.649 17.817 929 1HB ARG 113 1HB ARG 113 -0.157 -10.191 16.581 930 2HB ARG 113 2HB ARG 113 -0.603 -11.527 17.642 931 1HG ARG 113 1HG ARG 113 0.063 -10.335 19.594 932 2HG ARG 113 2HG ARG 113 0.921 -9.118 18.648 933 1HD ARG 113 1HD ARG 113 -1.076 -8.092 17.921 934 2HD ARG 113 2HD ARG 113 -2.052 -9.526 18.295 935 HE ARG 113 HE ARG 113 -1.494 -9.059 20.733 936 1HH1 ARG 113 1HH2 ARG 113 -3.504 -7.084 19.929 937 2HH1 ARG 113 2HH2 ARG 113 -2.760 -5.572 20.325 938 1HH2 ARG 113 1HH1 ARG 113 0.434 -6.899 20.557 939 2HH2 ARG 113 2HH1 ARG 113 -0.531 -5.466 20.681 940 H GLY 114 H GLY 114 0.827 -13.618 16.343 941 1HA GLY 114 1HA GLY 114 0.845 -15.098 18.845 942 2HA GLY 114 2HA GLY 114 0.595 -15.778 17.238 943 H GLU 115 H GLU 115 3.119 -14.764 16.089 944 HA GLU 115 HA GLU 115 4.961 -16.697 17.442 945 1HB GLU 115 1HB GLU 115 4.757 -15.501 14.668 946 2HB GLU 115 2HB GLU 115 6.179 -16.407 15.185 947 1HG GLU 115 1HG GLU 115 3.532 -17.667 15.703 948 2HG GLU 115 2HG GLU 115 4.065 -17.597 14.022 949 H VAL 116 H VAL 116 5.016 -14.560 19.031 950 HA VAL 116 HA VAL 116 7.590 -13.227 18.366 951 HB VAL 116 HB VAL 116 5.802 -11.807 17.443 952 1HG1 VAL 116 1HG1 VAL 116 3.805 -11.685 18.465 953 2HG1 VAL 116 2HG1 VAL 116 4.549 -10.865 19.836 954 3HG1 VAL 116 3HG1 VAL 116 4.425 -12.624 19.822 955 1HG2 VAL 116 1HG2 VAL 116 6.493 -9.759 18.437 956 2HG2 VAL 116 2HG2 VAL 116 7.855 -10.856 18.666 957 3HG2 VAL 116 3HG2 VAL 116 6.759 -10.520 20.006 958 HA PRO 117 HA PRO 117 6.948 -14.416 22.841 959 1HB PRO 117 1HB PRO 117 9.253 -15.869 23.116 960 2HB PRO 117 2HB PRO 117 7.722 -16.580 22.567 961 1HG PRO 117 1HG PRO 117 10.091 -15.729 20.979 962 2HG PRO 117 2HG PRO 117 9.041 -17.139 20.772 963 1HD PRO 117 1HD PRO 117 8.851 -14.893 19.244 964 2HD PRO 117 2HD PRO 117 7.474 -15.964 19.587 965 H CYS 118 H CYS 118 7.493 -12.537 23.983 966 HA CYS 118 HA CYS 118 10.371 -11.749 24.046 967 1HB CYS 118 1HB CYS 118 7.991 -10.185 23.093 968 2HB CYS 118 2HB CYS 118 9.312 -9.324 23.882 969 HG CYS 118 HG CYS 118 10.420 -9.428 21.669 970 H THR 119 H THR 119 9.185 -13.108 26.164 971 HA THR 119 HA THR 119 8.640 -10.923 28.154 972 HB THR 119 HB THR 119 7.548 -13.754 28.053 973 HG1 THR 119 HG1 THR 119 6.542 -12.656 26.469 974 1HG2 THR 119 1HG2 THR 119 7.433 -13.170 30.297 975 2HG2 THR 119 2HG2 THR 119 5.898 -12.528 29.710 976 3HG2 THR 119 3HG2 THR 119 7.274 -11.449 29.947 977 H VAL 120 H VAL 120 10.976 -10.920 28.731 978 HA VAL 120 HA VAL 120 11.686 -13.235 30.477 979 HB VAL 120 HB VAL 120 12.670 -13.594 28.243 980 1HG1 VAL 120 1HG1 VAL 120 13.925 -10.870 28.702 981 2HG1 VAL 120 2HG1 VAL 120 12.733 -11.276 27.467 982 3HG1 VAL 120 3HG1 VAL 120 14.353 -11.966 27.389 983 1HG2 VAL 120 1HG2 VAL 120 15.047 -13.738 28.931 984 2HG2 VAL 120 2HG2 VAL 120 13.970 -14.295 30.212 985 3HG2 VAL 120 3HG2 VAL 120 14.704 -12.694 30.310 986 1H GLN 1 1H GLN 1 16.310 -5.632 -17.346 987 2H GLN 1 2H GLN 1 14.792 -5.024 -17.807 988 3H GLN 1 3H GLN 1 15.486 -4.554 -16.329 989 HA GLN 1 HA GLN 1 17.361 -3.539 -17.640 990 1HB GLN 1 1HB GLN 1 15.484 -4.617 -19.709 991 2HB GLN 1 2HB GLN 1 16.346 -3.122 -20.077 992 1HG GLN 1 1HG GLN 1 18.490 -4.206 -19.644 993 2HG GLN 1 2HG GLN 1 17.671 -5.690 -19.156 994 1HE2 GLN 1 1HE2 GLN 1 18.021 -7.190 -20.855 995 2HE2 GLN 1 2HE2 GLN 1 17.788 -6.832 -22.498 996 H LYS 2 H LYS 2 13.847 -3.166 -18.459 997 HA LYS 2 HA LYS 2 14.072 -0.312 -17.550 998 1HB LYS 2 1HB LYS 2 13.470 -1.261 -20.021 999 2HB LYS 2 2HB LYS 2 11.855 -1.212 -19.315 1000 1HG LYS 2 1HG LYS 2 11.963 1.110 -18.926 1001 2HG LYS 2 2HG LYS 2 13.720 1.144 -19.072 1002 1HD LYS 2 1HD LYS 2 11.938 0.371 -21.387 1003 2HD LYS 2 2HD LYS 2 12.389 2.047 -21.073 1004 1HE LYS 2 1HE LYS 2 14.592 1.710 -21.679 1005 2HE LYS 2 2HE LYS 2 14.594 0.027 -21.114 1006 1HZ LYS 2 1HZ LYS 2 13.003 -0.463 -22.944 1007 2HZ LYS 2 2HZ LYS 2 14.549 -0.013 -23.485 1008 3HZ LYS 2 3HZ LYS 2 13.267 1.100 -23.545 1009 H THR 3 H THR 3 11.546 -2.888 -17.950 1010 HA THR 3 HA THR 3 10.365 -1.945 -15.355 1011 HB THR 3 HB THR 3 8.987 -3.367 -17.648 1012 HG1 THR 3 HG1 THR 3 9.582 -1.500 -18.558 1013 1HG2 THR 3 1HG2 THR 3 7.014 -2.113 -16.567 1014 2HG2 THR 3 2HG2 THR 3 8.092 -1.857 -15.195 1015 3HG2 THR 3 3HG2 THR 3 7.668 -3.496 -15.688 1016 H GLY 4 H GLY 4 10.936 -3.454 -13.762 1017 1HA GLY 4 1HA GLY 4 10.757 -6.345 -14.528 1018 2HA GLY 4 2HA GLY 4 11.964 -5.737 -13.395 1019 H THR 5 H THR 5 9.395 -7.603 -13.228 1020 HA THR 5 HA THR 5 8.221 -6.243 -10.822 1021 HB THR 5 HB THR 5 6.361 -8.047 -11.513 1022 HG1 THR 5 HG1 THR 5 6.397 -8.473 -13.652 1023 1HG2 THR 5 1HG2 THR 5 6.503 -5.671 -13.316 1024 2HG2 THR 5 2HG2 THR 5 6.486 -5.384 -11.575 1025 3HG2 THR 5 3HG2 THR 5 5.158 -6.260 -12.338 1026 H ALA 6 H ALA 6 10.279 -7.354 -9.779 1027 HA ALA 6 HA ALA 6 9.580 -10.191 -9.084 1028 1HB ALA 6 1HB ALA 6 11.574 -10.564 -10.124 1029 2HB ALA 6 2HB ALA 6 12.290 -9.904 -8.654 1030 3HB ALA 6 3HB ALA 6 12.026 -8.861 -10.050 1031 H GLU 7 H GLU 7 8.313 -8.749 -7.335 1032 HA GLU 7 HA GLU 7 8.158 -8.021 -5.100 1033 1HB GLU 7 1HB GLU 7 10.705 -9.675 -4.961 1034 2HB GLU 7 2HB GLU 7 9.719 -9.205 -3.577 1035 1HG GLU 7 1HG GLU 7 7.796 -10.321 -5.086 1036 2HG GLU 7 2HG GLU 7 9.179 -11.242 -5.683 1037 H VAL 8 H VAL 8 9.388 -6.143 -6.892 1038 HA VAL 8 HA VAL 8 11.909 -5.105 -6.068 1039 HB VAL 8 HB VAL 8 11.113 -2.959 -7.017 1040 1HG1 VAL 8 1HG1 VAL 8 9.821 -4.942 -8.815 1041 2HG1 VAL 8 2HG1 VAL 8 11.494 -5.262 -8.361 1042 3HG1 VAL 8 3HG1 VAL 8 11.072 -3.750 -9.165 1043 1HG2 VAL 8 1HG2 VAL 8 8.646 -3.158 -7.958 1044 2HG2 VAL 8 2HG2 VAL 8 8.926 -2.600 -6.310 1045 3HG2 VAL 8 3HG2 VAL 8 8.441 -4.266 -6.604 1046 H SER 9 H SER 9 8.715 -4.719 -4.515 1047 HA SER 9 HA SER 9 9.517 -2.597 -2.702 1048 1HB SER 9 1HB SER 9 7.176 -2.999 -3.008 1049 2HB SER 9 2HB SER 9 7.352 -4.719 -2.672 1050 HG SER 9 HG SER 9 6.542 -3.211 -0.939 1051 H SER 10 H SER 10 9.655 -6.181 -2.501 1052 HA SER 10 HA SER 10 10.475 -6.305 0.269 1053 1HB SER 10 1HB SER 10 9.680 -8.300 -0.815 1054 2HB SER 10 2HB SER 10 10.852 -8.138 -2.119 1055 HG SER 10 HG SER 10 11.349 -9.685 -0.375 1056 H ILE 11 H ILE 11 12.440 -6.344 -2.773 1057 HA ILE 11 HA ILE 11 14.982 -6.396 -1.411 1058 HB ILE 11 HB ILE 11 14.629 -6.918 -3.830 1059 1HG1 ILE 11 1HG1 ILE 11 16.529 -4.607 -3.800 1060 2HG1 ILE 11 2HG1 ILE 11 16.833 -5.951 -2.698 1061 1HG2 ILE 11 1HG2 ILE 11 13.060 -5.185 -4.459 1062 2HG2 ILE 11 2HG2 ILE 11 14.522 -4.972 -5.415 1063 3HG2 ILE 11 3HG2 ILE 11 14.214 -3.922 -4.035 1064 1HD1 ILE 11 1HD1 ILE 11 17.974 -6.259 -4.889 1065 2HD1 ILE 11 2HD1 ILE 11 16.402 -6.231 -5.687 1066 3HD1 ILE 11 3HD1 ILE 11 16.798 -7.533 -4.565 1067 H LEU 12 H LEU 12 12.854 -3.665 -2.338 1068 HA LEU 12 HA LEU 12 14.746 -1.560 -1.749 1069 1HB LEU 12 1HB LEU 12 12.351 -1.567 -2.882 1070 2HB LEU 12 2HB LEU 12 11.793 -1.271 -1.235 1071 HG LEU 12 HG LEU 12 13.628 0.584 -1.206 1072 1HD1 LEU 12 1HD1 LEU 12 14.246 1.486 -3.339 1073 2HD1 LEU 12 2HD1 LEU 12 13.121 0.424 -4.186 1074 3HD1 LEU 12 3HD1 LEU 12 14.565 -0.245 -3.426 1075 1HD2 LEU 12 1HD2 LEU 12 11.039 0.773 -1.347 1076 2HD2 LEU 12 2HD2 LEU 12 11.305 1.116 -3.057 1077 3HD2 LEU 12 3HD2 LEU 12 11.996 2.175 -1.827 1078 H GLU 13 H GLU 13 12.448 -3.381 0.327 1079 HA GLU 13 HA GLU 13 12.644 -1.809 2.697 1080 1HB GLU 13 1HB GLU 13 12.298 -4.775 2.193 1081 2HB GLU 13 2HB GLU 13 12.245 -4.102 3.822 1082 1HG GLU 13 1HG GLU 13 10.589 -2.593 1.926 1083 2HG GLU 13 2HG GLU 13 10.092 -4.277 2.071 1084 H GLU 14 H GLU 14 14.918 -4.258 1.391 1085 HA GLU 14 HA GLU 14 16.603 -4.594 3.662 1086 1HB GLU 14 1HB GLU 14 16.752 -5.831 1.486 1087 2HB GLU 14 2HB GLU 14 17.441 -4.385 0.746 1088 1HG GLU 14 1HG GLU 14 19.096 -4.579 2.846 1089 2HG GLU 14 2HG GLU 14 18.663 -6.282 2.695 1090 H ARG 15 H ARG 15 16.533 -1.929 1.260 1091 HA ARG 15 HA ARG 15 18.946 -0.597 2.019 1092 1HB ARG 15 1HB ARG 15 16.272 0.403 0.993 1093 2HB ARG 15 2HB ARG 15 17.663 1.470 1.200 1094 1HG ARG 15 1HG ARG 15 18.859 -0.513 -0.169 1095 2HG ARG 15 2HG ARG 15 17.218 -0.700 -0.791 1096 1HD ARG 15 1HD ARG 15 17.165 1.616 -1.529 1097 2HD ARG 15 2HD ARG 15 18.730 1.937 -0.756 1098 HE ARG 15 HE ARG 15 18.315 0.294 -3.191 1099 1HH1 ARG 15 1HH1 ARG 15 20.280 2.649 -2.289 1100 2HH1 ARG 15 2HH1 ARG 15 21.781 1.794 -2.424 1101 1HH2 ARG 15 1HH2 ARG 15 20.288 -1.324 -2.683 1102 2HH2 ARG 15 2HH2 ARG 15 21.786 -0.454 -2.647 1103 H ILE 16 H ILE 16 15.695 -0.503 3.543 1104 HA ILE 16 HA ILE 16 16.621 1.521 5.515 1105 HB ILE 16 HB ILE 16 14.002 -0.013 5.295 1106 1HG1 ILE 16 1HG1 ILE 16 14.665 2.791 4.337 1107 2HG1 ILE 16 2HG1 ILE 16 14.575 1.382 3.279 1108 1HG2 ILE 16 1HG2 ILE 16 13.148 1.402 6.921 1109 2HG2 ILE 16 2HG2 ILE 16 14.307 2.683 6.563 1110 3HG2 ILE 16 3HG2 ILE 16 14.817 1.263 7.476 1111 1HD1 ILE 16 1HD1 ILE 16 12.393 2.063 3.067 1112 2HD1 ILE 16 2HD1 ILE 16 12.388 2.875 4.633 1113 3HD1 ILE 16 3HD1 ILE 16 12.207 1.122 4.548 1114 H LEU 17 H LEU 17 15.517 -1.919 5.522 1115 HA LEU 17 HA LEU 17 16.784 -2.200 8.231 1116 1HB LEU 17 1HB LEU 17 14.305 -3.245 6.917 1117 2HB LEU 17 2HB LEU 17 15.096 -4.268 8.116 1118 HG LEU 17 HG LEU 17 15.138 -2.026 9.525 1119 1HD1 LEU 17 1HD1 LEU 17 13.200 -0.612 9.084 1120 2HD1 LEU 17 2HD1 LEU 17 12.723 -1.639 7.731 1121 3HD1 LEU 17 3HD1 LEU 17 14.202 -0.685 7.635 1122 1HD2 LEU 17 1HD2 LEU 17 13.030 -4.093 9.118 1123 2HD2 LEU 17 2HD2 LEU 17 12.588 -2.690 10.090 1124 3HD2 LEU 17 3HD2 LEU 17 13.952 -3.700 10.569 1125 H GLY 18 H GLY 18 18.885 -2.960 7.601 1126 1HA GLY 18 1HA GLY 18 18.923 -5.335 5.785 1127 2HA GLY 18 2HA GLY 18 20.292 -4.252 6.042 1128 H ALA 19 H ALA 19 20.944 -4.130 8.541 1129 HA ALA 19 HA ALA 19 20.950 -6.950 9.574 1130 1HB ALA 19 1HB ALA 19 22.991 -4.711 9.611 1131 2HB ALA 19 2HB ALA 19 23.124 -6.268 8.794 1132 3HB ALA 19 3HB ALA 19 23.175 -6.189 10.555 1133 H ASP 20 H ASP 20 20.243 -7.237 11.719 1134 HA ASP 20 HA ASP 20 20.021 -4.823 13.465 1135 1HB ASP 20 1HB ASP 20 17.887 -6.541 12.304 1136 2HB ASP 20 2HB ASP 20 17.687 -6.089 13.997 1137 H THR 21 H THR 21 21.936 -7.039 13.608 1138 HA THR 21 HA THR 21 21.161 -8.120 16.276 1139 HB THR 21 HB THR 21 20.485 -9.777 14.591 1140 HG1 THR 21 HG1 THR 21 21.266 -10.733 16.384 1141 1HG2 THR 21 1HG2 THR 21 22.775 -10.781 13.463 1142 2HG2 THR 21 2HG2 THR 21 23.104 -9.049 13.449 1143 3HG2 THR 21 3HG2 THR 21 21.663 -9.679 12.652 1144 H SER 22 H SER 22 22.937 -6.147 16.360 1145 HA SER 22 HA SER 22 25.650 -7.431 16.268 1146 1HB SER 22 1HB SER 22 24.550 -4.761 15.523 1147 2HB SER 22 2HB SER 22 26.164 -4.786 16.225 1148 HG SER 22 HG SER 22 26.352 -5.056 14.017 1149 H VAL 23 H VAL 23 24.762 -8.160 18.580 1150 HA VAL 23 HA VAL 23 25.733 -6.134 20.543 1151 HB VAL 23 HB VAL 23 23.716 -6.605 21.936 1152 1HG1 VAL 23 1HG1 VAL 23 22.963 -5.719 19.138 1153 2HG1 VAL 23 2HG1 VAL 23 23.833 -4.699 20.283 1154 3HG1 VAL 23 3HG1 VAL 23 22.196 -5.240 20.653 1155 1HG2 VAL 23 1HG2 VAL 23 22.284 -7.787 19.611 1156 2HG2 VAL 23 2HG2 VAL 23 22.089 -8.110 21.333 1157 3HG2 VAL 23 3HG2 VAL 23 23.417 -8.852 20.441 1158 H ASP 24 H ASP 24 27.241 -8.370 19.742 1159 HA ASP 24 HA ASP 24 27.052 -10.113 22.173 1160 1HB ASP 24 1HB ASP 24 27.407 -10.870 19.257 1161 2HB ASP 24 2HB ASP 24 27.682 -11.994 20.588 1162 H LEU 25 H LEU 25 28.827 -7.819 21.785 1163 HA LEU 25 HA LEU 25 31.445 -9.258 21.835 1164 1HB LEU 25 1HB LEU 25 30.628 -8.007 19.608 1165 2HB LEU 25 2HB LEU 25 31.265 -6.606 20.471 1166 HG LEU 25 HG LEU 25 33.383 -7.963 20.864 1167 1HD1 LEU 25 1HD1 LEU 25 32.609 -9.634 18.517 1168 2HD1 LEU 25 2HD1 LEU 25 31.946 -10.090 20.087 1169 3HD1 LEU 25 3HD1 LEU 25 33.693 -10.011 19.857 1170 1HD2 LEU 25 1HD2 LEU 25 32.788 -7.572 17.926 1171 2HD2 LEU 25 2HD2 LEU 25 34.309 -7.303 18.780 1172 3HD2 LEU 25 3HD2 LEU 25 32.954 -6.200 19.023 Start of MODEL 12 1 1H PHE 1 1H PHE 1 -21.144 -13.025 -11.572 2 2H PHE 1 2H PHE 1 -22.303 -12.471 -10.460 3 3H PHE 1 3H PHE 1 -22.785 -12.997 -12.002 4 HA PHE 1 HA PHE 1 -23.223 -14.644 -10.193 5 1HB PHE 1 1HB PHE 1 -22.550 -14.869 -12.801 6 2HB PHE 1 2HB PHE 1 -21.237 -15.805 -12.086 7 HD1 PHE 1 HD1 PHE 1 -22.237 -17.262 -9.917 8 HD2 PHE 1 HD2 PHE 1 -24.320 -16.196 -13.519 9 HE1 PHE 1 HE1 PHE 1 -23.776 -19.179 -9.593 10 HE2 PHE 1 HE2 PHE 1 -25.860 -18.113 -13.195 11 HZ PHE 1 HZ PHE 1 -25.588 -19.604 -11.233 12 H ALA 2 H ALA 2 -22.124 -14.281 -8.124 13 HA ALA 2 HA ALA 2 -19.420 -15.568 -7.983 14 1HB ALA 2 1HB ALA 2 -19.825 -12.894 -7.850 15 2HB ALA 2 2HB ALA 2 -18.547 -13.706 -6.947 16 3HB ALA 2 3HB ALA 2 -20.073 -13.311 -6.155 17 H LYS 3 H LYS 3 -21.428 -17.251 -7.397 18 HA LYS 3 HA LYS 3 -21.829 -17.084 -4.426 19 1HB LYS 3 1HB LYS 3 -23.809 -16.940 -6.044 20 2HB LYS 3 2HB LYS 3 -23.469 -18.621 -6.456 21 1HG LYS 3 1HG LYS 3 -23.842 -19.334 -4.186 22 2HG LYS 3 2HG LYS 3 -23.925 -17.666 -3.618 23 1HD LYS 3 1HD LYS 3 -26.187 -18.202 -3.790 24 2HD LYS 3 2HD LYS 3 -25.882 -17.470 -5.366 25 1HE LYS 3 1HE LYS 3 -25.318 -19.897 -6.140 26 2HE LYS 3 2HE LYS 3 -26.203 -20.390 -4.682 27 1HZ LYS 3 1HZ LYS 3 -27.621 -20.081 -6.705 28 2HZ LYS 3 2HZ LYS 3 -27.253 -18.424 -6.642 29 3HZ LYS 3 3HZ LYS 3 -28.094 -19.160 -5.362 30 H LEU 4 H LEU 4 -19.600 -18.182 -4.292 31 HA LEU 4 HA LEU 4 -19.925 -21.142 -4.610 32 1HB LEU 4 1HB LEU 4 -17.952 -19.256 -5.792 33 2HB LEU 4 2HB LEU 4 -17.299 -20.775 -5.178 34 HG LEU 4 HG LEU 4 -19.442 -21.737 -6.496 35 1HD1 LEU 4 1HD1 LEU 4 -19.690 -19.145 -7.187 36 2HD1 LEU 4 2HD1 LEU 4 -20.150 -20.459 -8.270 37 3HD1 LEU 4 3HD1 LEU 4 -18.586 -19.667 -8.459 38 1HD2 LEU 4 1HD2 LEU 4 -17.407 -22.699 -7.062 39 2HD2 LEU 4 2HD2 LEU 4 -16.627 -21.141 -7.333 40 3HD2 LEU 4 3HD2 LEU 4 -17.739 -21.792 -8.538 41 H VAL 5 H VAL 5 -18.413 -22.367 -3.138 42 HA VAL 5 HA VAL 5 -17.594 -20.712 -0.768 43 HB VAL 5 HB VAL 5 -18.622 -23.567 -0.965 44 1HG1 VAL 5 1HG1 VAL 5 -18.817 -23.012 1.636 45 2HG1 VAL 5 2HG1 VAL 5 -17.473 -21.935 1.263 46 3HG1 VAL 5 3HG1 VAL 5 -17.329 -23.665 0.951 47 1HG2 VAL 5 1HG2 VAL 5 -20.122 -21.332 -1.197 48 2HG2 VAL 5 2HG2 VAL 5 -20.045 -21.441 0.560 49 3HG2 VAL 5 3HG2 VAL 5 -20.702 -22.781 -0.378 50 H ARG 6 H ARG 6 -15.366 -20.749 -0.415 51 HA ARG 6 HA ARG 6 -13.830 -23.087 -1.508 52 1HB ARG 6 1HB ARG 6 -13.299 -20.115 -1.373 53 2HB ARG 6 2HB ARG 6 -11.986 -21.268 -1.615 54 1HG ARG 6 1HG ARG 6 -13.020 -22.119 -3.631 55 2HG ARG 6 2HG ARG 6 -14.469 -21.154 -3.348 56 1HD ARG 6 1HD ARG 6 -11.849 -19.709 -3.491 57 2HD ARG 6 2HD ARG 6 -12.574 -20.281 -5.007 58 HE ARG 6 HE ARG 6 -14.581 -18.970 -4.472 59 1HH1 ARG 6 1HH1 ARG 6 -12.448 -16.900 -4.397 60 2HH1 ARG 6 2HH1 ARG 6 -12.730 -16.125 -2.874 61 1HH2 ARG 6 1HH2 ARG 6 -14.706 -18.691 -1.634 62 2HH2 ARG 6 2HH2 ARG 6 -14.008 -17.139 -1.309 63 HA PRO 7 HA PRO 7 -12.290 -23.676 2.583 64 1HB PRO 7 1HB PRO 7 -9.719 -24.498 2.138 65 2HB PRO 7 2HB PRO 7 -11.130 -25.524 1.813 66 1HG PRO 7 1HG PRO 7 -9.467 -23.940 -0.077 67 2HG PRO 7 2HG PRO 7 -10.198 -25.538 -0.283 68 1HD PRO 7 1HD PRO 7 -11.235 -23.252 -1.353 69 2HD PRO 7 2HD PRO 7 -12.212 -24.676 -0.935 70 HA PRO 8 HA PRO 8 -10.106 -20.014 3.740 71 1HB PRO 8 1HB PRO 8 -8.939 -20.758 6.100 72 2HB PRO 8 2HB PRO 8 -10.680 -20.452 5.940 73 1HG PRO 8 1HG PRO 8 -9.211 -23.035 6.024 74 2HG PRO 8 2HG PRO 8 -10.781 -22.605 6.719 75 1HD PRO 8 1HD PRO 8 -10.480 -24.035 4.408 76 2HD PRO 8 2HD PRO 8 -11.904 -23.040 4.781 77 H VAL 9 H VAL 9 -8.069 -19.133 3.203 78 HA VAL 9 HA VAL 9 -5.692 -20.938 3.281 79 HB VAL 9 HB VAL 9 -5.155 -20.215 0.959 80 1HG1 VAL 9 1HG1 VAL 9 -6.683 -22.240 1.628 81 2HG1 VAL 9 2HG1 VAL 9 -6.577 -21.762 -0.066 82 3HG1 VAL 9 3HG1 VAL 9 -7.968 -21.275 0.903 83 1HG2 VAL 9 1HG2 VAL 9 -6.749 -18.965 -0.354 84 2HG2 VAL 9 2HG2 VAL 9 -6.486 -18.059 1.137 85 3HG2 VAL 9 3HG2 VAL 9 -7.947 -19.027 0.940 86 H GLN 10 H GLN 10 -3.626 -19.712 3.281 87 HA GLN 10 HA GLN 10 -3.990 -16.848 4.111 88 1HB GLN 10 1HB GLN 10 -1.944 -18.951 4.900 89 2HB GLN 10 2HB GLN 10 -1.960 -17.289 5.492 90 1HG GLN 10 1HG GLN 10 -4.032 -17.606 6.629 91 2HG GLN 10 2HG GLN 10 -4.339 -19.130 5.794 92 1HE2 GLN 10 1HE2 GLN 10 -2.900 -17.742 8.635 93 2HE2 GLN 10 2HE2 GLN 10 -2.152 -19.157 9.196 94 H ILE 11 H ILE 11 -2.692 -15.299 3.018 95 HA ILE 11 HA ILE 11 -1.272 -14.428 1.359 96 HB ILE 11 HB ILE 11 0.190 -16.996 2.036 97 1HG1 ILE 11 1HG1 ILE 11 1.548 -15.135 3.351 98 2HG1 ILE 11 2HG1 ILE 11 0.014 -14.268 3.271 99 1HG2 ILE 11 1HG2 ILE 11 1.356 -16.309 0.180 100 2HG2 ILE 11 2HG2 ILE 11 2.119 -15.247 1.366 101 3HG2 ILE 11 3HG2 ILE 11 0.819 -14.637 0.338 102 1HD1 ILE 11 1HD1 ILE 11 -0.168 -17.114 4.081 103 2HD1 ILE 11 2HD1 ILE 11 -1.026 -15.706 4.708 104 3HD1 ILE 11 3HD1 ILE 11 0.623 -16.042 5.235 105 H TYR 12 H TYR 12 -2.292 -14.420 -0.649 106 HA TYR 12 HA TYR 12 -1.900 -16.782 -2.421 107 1HB TYR 12 1HB TYR 12 -4.544 -16.151 -2.937 108 2HB TYR 12 2HB TYR 12 -4.029 -17.481 -1.909 109 HD1 TYR 12 HD1 TYR 12 -3.837 -17.121 0.570 110 HD2 TYR 12 HD2 TYR 12 -5.690 -14.234 -2.013 111 HE1 TYR 12 HE1 TYR 12 -4.837 -16.030 2.530 112 HE2 TYR 12 HE2 TYR 12 -6.725 -13.146 -0.038 113 HH TYR 12 HH TYR 12 -7.367 -14.109 2.473 114 H GLY 13 H GLY 13 -0.462 -15.176 -3.558 115 1HA GLY 13 1HA GLY 13 -0.848 -14.093 -5.819 116 2HA GLY 13 2HA GLY 13 -2.041 -13.089 -4.993 117 H ILE 14 H ILE 14 1.080 -13.049 -6.102 118 HA ILE 14 HA ILE 14 2.783 -11.964 -4.179 119 HB ILE 14 HB ILE 14 3.377 -12.294 -6.551 120 1HG1 ILE 14 1HG1 ILE 14 4.703 -10.237 -6.896 121 2HG1 ILE 14 2HG1 ILE 14 3.728 -9.399 -5.690 122 1HG2 ILE 14 1HG2 ILE 14 1.294 -11.490 -7.567 123 2HG2 ILE 14 2HG2 ILE 14 2.667 -10.606 -8.231 124 3HG2 ILE 14 3HG2 ILE 14 1.638 -9.852 -7.014 125 1HD1 ILE 14 1HD1 ILE 14 4.872 -11.939 -4.733 126 2HD1 ILE 14 2HD1 ILE 14 4.840 -10.355 -3.958 127 3HD1 ILE 14 3HD1 ILE 14 6.081 -10.724 -5.156 128 H GLU 15 H GLU 15 -0.007 -10.270 -5.663 129 HA GLU 15 HA GLU 15 0.498 -7.608 -4.816 130 1HB GLU 15 1HB GLU 15 -1.861 -9.262 -5.486 131 2HB GLU 15 2HB GLU 15 -2.223 -7.932 -4.393 132 1HG GLU 15 1HG GLU 15 -1.675 -6.317 -5.945 133 2HG GLU 15 2HG GLU 15 -0.491 -7.345 -6.752 134 H GLY 16 H GLY 16 -0.712 -10.392 -2.898 135 1HA GLY 16 1HA GLY 16 -1.273 -8.832 -0.524 136 2HA GLY 16 2HA GLY 16 -1.043 -10.584 -0.574 137 H ARG 17 H ARG 17 1.607 -10.617 -1.719 138 HA ARG 17 HA ARG 17 3.255 -10.358 0.599 139 1HB ARG 17 1HB ARG 17 3.688 -10.642 -2.349 140 2HB ARG 17 2HB ARG 17 5.081 -10.197 -1.363 141 1HG ARG 17 1HG ARG 17 4.429 -12.153 0.164 142 2HG ARG 17 2HG ARG 17 3.356 -12.668 -1.139 143 1HD ARG 17 1HD ARG 17 5.256 -13.820 -1.789 144 2HD ARG 17 2HD ARG 17 5.626 -12.269 -2.567 145 HE ARG 17 HE ARG 17 6.851 -11.676 -0.419 146 1HH1 ARG 17 1HH2 ARG 17 7.914 -14.112 -2.139 147 2HH1 ARG 17 2HH2 ARG 17 8.463 -15.134 -0.854 148 1HH2 ARG 17 1HH1 ARG 17 6.822 -13.348 1.625 149 2HH2 ARG 17 2HH1 ARG 17 7.845 -14.702 1.277 150 H TYR 18 H TYR 18 2.419 -7.916 -1.874 151 HA TYR 18 HA TYR 18 4.451 -5.990 -1.397 152 1HB TYR 18 1HB TYR 18 1.625 -5.981 -2.307 153 2HB TYR 18 2HB TYR 18 2.194 -4.443 -1.677 154 HD1 TYR 18 HD1 TYR 18 2.496 -3.091 -3.560 155 HD2 TYR 18 HD2 TYR 18 4.084 -7.084 -3.559 156 HE1 TYR 18 HE1 TYR 18 3.637 -2.637 -5.711 157 HE2 TYR 18 HE2 TYR 18 5.230 -6.628 -5.710 158 HH TYR 18 HH TYR 18 6.032 -4.038 -6.853 159 H ALA 19 H ALA 19 1.519 -6.704 0.544 160 HA ALA 19 HA ALA 19 2.000 -4.495 2.418 161 1HB ALA 19 1HB ALA 19 0.401 -6.179 3.802 162 2HB ALA 19 2HB ALA 19 0.144 -6.826 2.182 163 3HB ALA 19 3HB ALA 19 -0.219 -5.135 2.523 164 H THR 20 H THR 20 2.746 -8.017 2.377 165 HA THR 20 HA THR 20 3.899 -7.941 5.053 166 HB THR 20 HB THR 20 4.946 -10.163 3.664 167 HG1 THR 20 HG1 THR 20 3.082 -10.931 2.607 168 1HG2 THR 20 1HG2 THR 20 4.098 -10.257 5.925 169 2HG2 THR 20 2HG2 THR 20 3.124 -11.354 4.947 170 3HG2 THR 20 3HG2 THR 20 2.490 -9.768 5.389 171 H ALA 21 H ALA 21 5.235 -7.545 1.762 172 HA ALA 21 HA ALA 21 8.001 -7.577 2.748 173 1HB ALA 21 1HB ALA 21 6.629 -6.811 0.162 174 2HB ALA 21 2HB ALA 21 7.716 -8.168 0.462 175 3HB ALA 21 3HB ALA 21 8.355 -6.526 0.390 176 H LEU 22 H LEU 22 5.441 -5.193 2.741 177 HA LEU 22 HA LEU 22 7.427 -2.967 3.030 178 1HB LEU 22 1HB LEU 22 5.476 -2.674 1.511 179 2HB LEU 22 2HB LEU 22 4.390 -2.992 2.863 180 HG LEU 22 HG LEU 22 6.060 -0.993 3.850 181 1HD1 LEU 22 1HD1 LEU 22 5.744 -0.755 0.895 182 2HD1 LEU 22 2HD1 LEU 22 7.051 -0.190 1.937 183 3HD1 LEU 22 3HD1 LEU 22 5.539 0.714 1.849 184 1HD2 LEU 22 1HD2 LEU 22 3.842 -0.720 4.398 185 2HD2 LEU 22 2HD2 LEU 22 3.279 -1.168 2.786 186 3HD2 LEU 22 3HD2 LEU 22 3.929 0.446 3.077 187 H TYR 23 H TYR 23 4.716 -4.571 4.765 188 HA TYR 23 HA TYR 23 5.287 -3.030 7.181 189 1HB TYR 23 1HB TYR 23 3.181 -3.666 7.672 190 2HB TYR 23 2HB TYR 23 3.114 -4.482 6.123 191 HD1 TYR 23 HD1 TYR 23 2.731 -6.773 6.046 192 HD2 TYR 23 HD2 TYR 23 4.240 -5.005 9.641 193 HE1 TYR 23 HE1 TYR 23 2.558 -8.945 7.178 194 HE2 TYR 23 HE2 TYR 23 4.033 -7.170 10.812 195 HH TYR 23 HH TYR 23 4.057 -9.803 9.794 196 H SER 24 H SER 24 6.666 -5.919 5.727 197 HA SER 24 HA SER 24 7.389 -7.471 7.999 198 1HB SER 24 1HB SER 24 8.057 -8.361 5.928 199 2HB SER 24 2HB SER 24 8.700 -6.823 5.364 200 HG SER 24 HG SER 24 10.302 -8.417 5.992 201 H ALA 25 H ALA 25 8.874 -4.466 6.723 202 HA ALA 25 HA ALA 25 10.900 -4.338 8.854 203 1HB ALA 25 1HB ALA 25 10.680 -3.176 6.418 204 2HB ALA 25 2HB ALA 25 11.610 -2.433 7.720 205 3HB ALA 25 3HB ALA 25 9.962 -1.895 7.395 206 H ALA 26 H ALA 26 7.666 -2.902 8.172 207 HA ALA 26 HA ALA 26 7.449 -1.190 10.453 208 1HB ALA 26 1HB ALA 26 5.837 -1.400 8.519 209 2HB ALA 26 2HB ALA 26 5.042 -1.383 10.092 210 3HB ALA 26 3HB ALA 26 5.254 -2.905 9.228 211 H SER 27 H SER 27 6.895 -4.737 10.191 212 HA SER 27 HA SER 27 5.712 -5.233 12.745 213 1HB SER 27 1HB SER 27 6.002 -6.965 11.027 214 2HB SER 27 2HB SER 27 7.754 -6.850 11.164 215 HG SER 27 HG SER 27 7.100 -8.553 12.424 216 H LYS 28 H LYS 28 9.186 -4.901 11.856 217 HA LYS 28 HA LYS 28 10.192 -5.366 14.552 218 1HB LYS 28 1HB LYS 28 11.322 -5.226 12.095 219 2HB LYS 28 2HB LYS 28 11.680 -3.594 12.661 220 1HG LYS 28 1HG LYS 28 13.534 -4.963 13.325 221 2HG LYS 28 2HG LYS 28 12.591 -4.657 14.784 222 1HD LYS 28 1HD LYS 28 11.628 -6.828 14.748 223 2HD LYS 28 2HD LYS 28 12.136 -7.111 13.083 224 1HE LYS 28 1HE LYS 28 14.297 -7.646 13.691 225 2HE LYS 28 2HE LYS 28 14.288 -6.539 15.079 226 1HZ LYS 28 1HZ LYS 28 14.132 -8.957 15.666 227 2HZ LYS 28 2HZ LYS 28 12.600 -8.975 14.932 228 3HZ LYS 28 3HZ LYS 28 12.885 -7.991 16.288 229 H GLN 29 H GLN 29 9.276 -2.417 12.709 230 HA GLN 29 HA GLN 29 9.994 -0.637 14.943 231 1HB GLN 29 1HB GLN 29 8.416 -0.172 12.388 232 2HB GLN 29 2HB GLN 29 9.007 1.097 13.462 233 1HG GLN 29 1HG GLN 29 11.210 0.794 12.839 234 2HG GLN 29 2HG GLN 29 10.980 -0.915 12.466 235 1HE2 GLN 29 1HE2 GLN 29 12.110 1.370 10.725 236 2HE2 GLN 29 2HE2 GLN 29 11.170 1.307 9.313 237 H ASN 30 H ASN 30 7.305 -2.718 14.451 238 HA ASN 30 HA ASN 30 5.293 -2.919 15.622 239 1HB ASN 30 1HB ASN 30 6.989 -1.764 17.381 240 2HB ASN 30 2HB ASN 30 5.815 -0.457 17.224 241 1HD2 ASN 30 1HD2 ASN 30 6.441 -3.176 19.086 242 2HD2 ASN 30 2HD2 ASN 30 4.851 -3.546 19.554 243 H LYS 31 H LYS 31 5.372 -1.475 13.132 244 HA LYS 31 HA LYS 31 3.449 0.767 13.631 245 1HB LYS 31 1HB LYS 31 5.520 0.102 11.598 246 2HB LYS 31 2HB LYS 31 4.099 0.978 11.026 247 1HG LYS 31 1HG LYS 31 5.382 2.775 11.690 248 2HG LYS 31 2HG LYS 31 4.580 2.426 13.221 249 1HD LYS 31 1HD LYS 31 6.570 0.842 13.681 250 2HD LYS 31 2HD LYS 31 7.377 1.693 12.364 251 1HE LYS 31 1HE LYS 31 8.036 2.934 14.265 252 2HE LYS 31 2HE LYS 31 6.638 3.857 13.677 253 1HZ LYS 31 1HZ LYS 31 6.284 3.424 15.980 254 2HZ LYS 31 2HZ LYS 31 6.657 1.776 15.797 255 3HZ LYS 31 3HZ LYS 31 5.235 2.409 15.115 256 H LEU 32 H LEU 32 3.001 -2.431 13.276 257 HA LEU 32 HA LEU 32 1.547 -3.022 10.949 258 1HB LEU 32 1HB LEU 32 1.394 -3.811 13.845 259 2HB LEU 32 2HB LEU 32 0.102 -4.353 12.778 260 HG LEU 32 HG LEU 32 2.132 -5.926 13.070 261 1HD1 LEU 32 1HD1 LEU 32 0.318 -5.709 11.149 262 2HD1 LEU 32 2HD1 LEU 32 1.658 -6.840 11.009 263 3HD1 LEU 32 3HD1 LEU 32 1.727 -5.282 10.180 264 1HD2 LEU 32 1HD2 LEU 32 3.372 -3.880 11.195 265 2HD2 LEU 32 2HD2 LEU 32 4.047 -5.458 11.572 266 3HD2 LEU 32 3HD2 LEU 32 3.915 -4.250 12.830 267 H GLU 33 H GLU 33 0.464 -1.108 13.778 268 HA GLU 33 HA GLU 33 -2.275 -0.794 12.733 269 1HB GLU 33 1HB GLU 33 -0.698 0.729 14.848 270 2HB GLU 33 2HB GLU 33 -2.433 0.889 14.578 271 1HG GLU 33 1HG GLU 33 -1.382 -1.869 14.978 272 2HG GLU 33 2HG GLU 33 -1.424 -0.816 16.392 273 H GLN 34 H GLN 34 0.741 1.164 12.797 274 HA GLN 34 HA GLN 34 -0.290 3.494 11.467 275 1HB GLN 34 1HB GLN 34 2.467 2.236 11.514 276 2HB GLN 34 2HB GLN 34 2.135 3.840 10.859 277 1HG GLN 34 1HG GLN 34 1.553 2.961 13.706 278 2HG GLN 34 2HG GLN 34 2.919 3.959 13.211 279 1HE2 GLN 34 1HE2 GLN 34 2.393 6.178 12.322 280 2HE2 GLN 34 2HE2 GLN 34 0.913 6.902 12.726 281 H VAL 35 H VAL 35 0.705 0.326 10.166 282 HA VAL 35 HA VAL 35 0.417 1.426 7.405 283 HB VAL 35 HB VAL 35 1.237 -1.402 8.042 284 1HG1 VAL 35 1HG1 VAL 35 0.910 -0.403 5.703 285 2HG1 VAL 35 2HG1 VAL 35 2.436 -1.236 6.004 286 3HG1 VAL 35 3HG1 VAL 35 2.376 0.527 6.021 287 1HG2 VAL 35 1HG2 VAL 35 2.868 -0.577 9.443 288 2HG2 VAL 35 2HG2 VAL 35 2.750 1.054 8.782 289 3HG2 VAL 35 3HG2 VAL 35 3.669 -0.183 7.924 290 H GLU 36 H GLU 36 -0.903 -1.197 9.508 291 HA GLU 36 HA GLU 36 -2.705 -2.254 7.509 292 1HB GLU 36 1HB GLU 36 -1.949 -3.279 9.744 293 2HB GLU 36 2HB GLU 36 -3.184 -2.270 10.496 294 1HG GLU 36 1HG GLU 36 -4.635 -3.360 8.478 295 2HG GLU 36 2HG GLU 36 -3.492 -4.670 8.779 296 H LYS 37 H LYS 37 -3.056 0.491 9.778 297 HA LYS 37 HA LYS 37 -5.948 0.704 9.164 298 1HB LYS 37 1HB LYS 37 -4.398 1.327 11.339 299 2HB LYS 37 2HB LYS 37 -4.571 2.911 10.581 300 1HG LYS 37 1HG LYS 37 -6.494 2.896 11.861 301 2HG LYS 37 2HG LYS 37 -7.119 2.138 10.395 302 1HD LYS 37 1HD LYS 37 -6.710 -0.090 11.358 303 2HD LYS 37 2HD LYS 37 -6.058 0.653 12.819 304 1HE LYS 37 1HE LYS 37 -8.226 0.432 13.560 305 2HE LYS 37 2HE LYS 37 -8.474 1.927 12.637 306 1HZ LYS 37 1HZ LYS 37 -8.703 -0.814 11.511 307 2HZ LYS 37 2HZ LYS 37 -9.021 0.642 10.696 308 3HZ LYS 37 3HZ LYS 37 -10.023 0.143 11.975 309 H GLU 38 H GLU 38 -2.924 2.458 8.316 310 HA GLU 38 HA GLU 38 -4.366 4.584 6.914 311 1HB GLU 38 1HB GLU 38 -1.525 3.621 7.118 312 2HB GLU 38 2HB GLU 38 -1.955 4.775 5.860 313 1HG GLU 38 1HG GLU 38 -1.239 6.020 7.815 314 2HG GLU 38 2HG GLU 38 -2.975 6.240 7.613 315 H LEU 39 H LEU 39 -2.907 1.451 5.929 316 HA LEU 39 HA LEU 39 -3.176 1.693 3.098 317 1HB LEU 39 1HB LEU 39 -2.938 -0.471 5.077 318 2HB LEU 39 2HB LEU 39 -3.899 -0.949 3.686 319 HG LEU 39 HG LEU 39 -2.093 -0.171 2.183 320 1HD1 LEU 39 1HD1 LEU 39 -0.744 1.402 3.135 321 2HD1 LEU 39 2HD1 LEU 39 0.171 0.006 3.703 322 3HD1 LEU 39 3HD1 LEU 39 -1.003 0.780 4.764 323 1HD2 LEU 39 1HD2 LEU 39 -0.835 -2.120 2.412 324 2HD2 LEU 39 2HD2 LEU 39 -2.258 -2.530 3.370 325 3HD2 LEU 39 3HD2 LEU 39 -0.780 -1.998 4.170 326 H LEU 40 H LEU 40 -5.661 0.936 5.576 327 HA LEU 40 HA LEU 40 -7.790 0.105 3.880 328 1HB LEU 40 1HB LEU 40 -7.660 0.273 6.451 329 2HB LEU 40 2HB LEU 40 -8.135 1.959 6.250 330 HG LEU 40 HG LEU 40 -10.029 0.893 4.725 331 1HD1 LEU 40 1HD1 LEU 40 -9.485 -1.394 4.768 332 2HD1 LEU 40 2HD1 LEU 40 -10.743 -1.268 5.997 333 3HD1 LEU 40 3HD1 LEU 40 -9.049 -1.354 6.476 334 1HD2 LEU 40 1HD2 LEU 40 -11.397 0.620 6.908 335 2HD2 LEU 40 2HD2 LEU 40 -10.659 2.192 6.604 336 3HD2 LEU 40 3HD2 LEU 40 -9.908 1.070 7.739 337 H ARG 41 H ARG 41 -6.565 3.416 4.495 338 HA ARG 41 HA ARG 41 -8.750 4.886 3.358 339 1HB ARG 41 1HB ARG 41 -5.806 5.340 3.744 340 2HB ARG 41 2HB ARG 41 -6.700 6.477 2.736 341 1HG ARG 41 1HG ARG 41 -8.266 6.922 4.550 342 2HG ARG 41 2HG ARG 41 -7.489 5.700 5.558 343 1HD ARG 41 1HD ARG 41 -5.513 6.997 5.809 344 2HD ARG 41 2HD ARG 41 -5.943 8.057 4.452 345 HE ARG 41 HE ARG 41 -7.411 8.007 7.062 346 1HH1 ARG 41 1HH2 ARG 41 -8.700 9.075 4.460 347 2HH1 ARG 41 2HH2 ARG 41 -8.438 10.776 4.660 348 1HH2 ARG 41 1HH1 ARG 41 -6.088 10.388 7.181 349 2HH2 ARG 41 2HH1 ARG 41 -6.959 11.519 6.199 350 H VAL 42 H VAL 42 -5.809 3.524 1.767 351 HA VAL 42 HA VAL 42 -6.475 4.449 -0.889 352 HB VAL 42 HB VAL 42 -4.892 2.025 0.055 353 1HG1 VAL 42 1HG1 VAL 42 -5.175 1.562 -2.207 354 2HG1 VAL 42 2HG1 VAL 42 -3.742 2.587 -2.266 355 3HG1 VAL 42 3HG1 VAL 42 -5.326 3.264 -2.642 356 1HG2 VAL 42 1HG2 VAL 42 -3.599 4.490 -0.998 357 2HG2 VAL 42 2HG2 VAL 42 -3.082 3.416 0.301 358 3HG2 VAL 42 3HG2 VAL 42 -4.342 4.613 0.598 359 H GLY 43 H GLY 43 -7.345 1.452 0.900 360 1HA GLY 43 1HA GLY 43 -8.643 0.147 -1.297 361 2HA GLY 43 2HA GLY 43 -8.943 -0.188 0.410 362 H GLN 44 H GLN 44 -9.922 2.269 1.329 363 HA GLN 44 HA GLN 44 -12.670 2.216 0.454 364 1HB GLN 44 1HB GLN 44 -10.951 4.102 2.062 365 2HB GLN 44 2HB GLN 44 -12.597 4.576 1.639 366 1HG GLN 44 1HG GLN 44 -13.260 2.226 2.547 367 2HG GLN 44 2HG GLN 44 -11.681 2.261 3.333 368 1HE2 GLN 44 1HE2 GLN 44 -11.443 4.948 4.135 369 2HE2 GLN 44 2HE2 GLN 44 -12.703 5.336 5.204 370 H ILE 45 H ILE 45 -9.948 4.407 -0.393 371 HA ILE 45 HA ILE 45 -11.446 6.162 -2.124 372 HB ILE 45 HB ILE 45 -8.526 5.293 -2.116 373 1HG1 ILE 45 1HG1 ILE 45 -9.642 7.936 -1.192 374 2HG1 ILE 45 2HG1 ILE 45 -9.661 6.535 -0.119 375 1HG2 ILE 45 1HG2 ILE 45 -8.473 6.306 -4.161 376 2HG2 ILE 45 2HG2 ILE 45 -8.552 7.799 -3.229 377 3HG2 ILE 45 3HG2 ILE 45 -10.023 7.108 -3.912 378 1HD1 ILE 45 1HD1 ILE 45 -7.338 6.420 -0.005 379 2HD1 ILE 45 2HD1 ILE 45 -7.585 8.162 -0.117 380 3HD1 ILE 45 3HD1 ILE 45 -7.120 7.244 -1.548 381 H LEU 46 H LEU 46 -9.876 2.994 -2.733 382 HA LEU 46 HA LEU 46 -10.338 3.094 -5.621 383 1HB LEU 46 1HB LEU 46 -8.841 1.537 -3.885 384 2HB LEU 46 2HB LEU 46 -10.133 0.434 -4.351 385 HG LEU 46 HG LEU 46 -8.261 0.219 -5.890 386 1HD1 LEU 46 1HD1 LEU 46 -10.461 -0.095 -6.869 387 2HD1 LEU 46 2HD1 LEU 46 -9.449 0.760 -8.033 388 3HD1 LEU 46 3HD1 LEU 46 -10.649 1.644 -7.091 389 1HD2 LEU 46 1HD2 LEU 46 -7.010 2.102 -6.125 390 2HD2 LEU 46 2HD2 LEU 46 -8.370 3.162 -5.767 391 3HD2 LEU 46 3HD2 LEU 46 -8.154 2.523 -7.396 392 H LYS 47 H LYS 47 -12.095 1.673 -2.841 393 HA LYS 47 HA LYS 47 -14.130 0.406 -4.518 394 1HB LYS 47 1HB LYS 47 -13.508 -0.365 -2.228 395 2HB LYS 47 2HB LYS 47 -14.159 1.135 -1.567 396 1HG LYS 47 1HG LYS 47 -16.270 0.303 -3.075 397 2HG LYS 47 2HG LYS 47 -15.581 -1.250 -2.601 398 1HD LYS 47 1HD LYS 47 -15.528 0.335 -0.263 399 2HD LYS 47 2HD LYS 47 -17.098 0.641 -1.003 400 1HE LYS 47 1HE LYS 47 -16.873 -2.098 -1.277 401 2HE LYS 47 2HE LYS 47 -16.097 -1.807 0.293 402 1HZ LYS 47 1HZ LYS 47 -18.017 -0.325 0.818 403 2HZ LYS 47 2HZ LYS 47 -18.425 -1.968 0.682 404 3HZ LYS 47 3HZ LYS 47 -18.784 -0.895 -0.584 405 H GLU 48 H GLU 48 -13.755 3.612 -2.986 406 HA GLU 48 HA GLU 48 -16.446 4.467 -2.982 407 1HB GLU 48 1HB GLU 48 -13.775 5.770 -3.246 408 2HB GLU 48 2HB GLU 48 -15.183 6.757 -3.639 409 1HG GLU 48 1HG GLU 48 -16.074 5.663 -1.351 410 2HG GLU 48 2HG GLU 48 -14.342 5.612 -1.021 411 HA PRO 49 HA PRO 49 -17.399 4.457 -7.324 412 1HB PRO 49 1HB PRO 49 -19.629 6.043 -7.299 413 2HB PRO 49 2HB PRO 49 -19.635 4.358 -6.743 414 1HG PRO 49 1HG PRO 49 -19.539 6.872 -5.160 415 2HG PRO 49 2HG PRO 49 -20.395 5.360 -4.828 416 1HD PRO 49 1HD PRO 49 -18.053 6.070 -3.618 417 2HD PRO 49 2HD PRO 49 -18.566 4.386 -3.862 418 H LYS 50 H LYS 50 -17.565 7.640 -5.628 419 HA LYS 50 HA LYS 50 -17.254 9.323 -7.919 420 1HB LYS 50 1HB LYS 50 -16.688 9.518 -4.987 421 2HB LYS 50 2HB LYS 50 -15.969 10.748 -6.027 422 1HG LYS 50 1HG LYS 50 -18.136 11.366 -6.907 423 2HG LYS 50 2HG LYS 50 -18.909 10.017 -6.074 424 1HD LYS 50 1HD LYS 50 -17.339 11.884 -4.374 425 2HD LYS 50 2HD LYS 50 -18.838 12.518 -5.052 426 1HE LYS 50 1HE LYS 50 -20.169 10.954 -3.919 427 2HE LYS 50 2HE LYS 50 -18.825 9.810 -3.727 428 1HZ LYS 50 1HZ LYS 50 -19.180 10.948 -1.652 429 2HZ LYS 50 2HZ LYS 50 -19.092 12.464 -2.414 430 3HZ LYS 50 3HZ LYS 50 -17.713 11.477 -2.318 431 H MET 51 H MET 51 -14.777 7.616 -5.963 432 HA MET 51 HA MET 51 -12.529 8.816 -7.424 433 1HB MET 51 1HB MET 51 -12.704 6.375 -5.636 434 2HB MET 51 2HB MET 51 -11.209 7.159 -6.133 435 1HG MET 51 1HG MET 51 -13.418 8.408 -4.470 436 2HG MET 51 2HG MET 51 -11.848 7.880 -3.876 437 1HE MET 51 1HE MET 51 -9.604 8.714 -5.045 438 2HE MET 51 2HE MET 51 -9.444 10.200 -5.974 439 3HE MET 51 3HE MET 51 -10.229 8.797 -6.696 440 H ALA 52 H ALA 52 -14.481 5.843 -7.775 441 HA ALA 52 HA ALA 52 -12.818 4.239 -9.388 442 1HB ALA 52 1HB ALA 52 -15.706 4.644 -10.137 443 2HB ALA 52 2HB ALA 52 -15.318 3.996 -8.544 444 3HB ALA 52 3HB ALA 52 -14.798 3.138 -9.995 445 H ALA 53 H ALA 53 -14.662 7.150 -10.351 446 HA ALA 53 HA ALA 53 -14.222 6.896 -13.200 447 1HB ALA 53 1HB ALA 53 -14.940 9.093 -11.285 448 2HB ALA 53 2HB ALA 53 -15.860 8.459 -12.649 449 3HB ALA 53 3HB ALA 53 -14.491 9.533 -12.933 450 H SER 54 H SER 54 -12.183 8.230 -10.573 451 HA SER 54 HA SER 54 -10.193 9.185 -12.587 452 1HB SER 54 1HB SER 54 -11.110 10.290 -10.293 453 2HB SER 54 2HB SER 54 -9.727 9.405 -9.650 454 HG SER 54 HG SER 54 -9.417 11.649 -10.517 455 H LEU 55 H LEU 55 -10.470 6.809 -9.903 456 HA LEU 55 HA LEU 55 -7.739 5.963 -9.839 457 1HB LEU 55 1HB LEU 55 -10.396 4.805 -9.124 458 2HB LEU 55 2HB LEU 55 -9.067 3.662 -9.286 459 HG LEU 55 HG LEU 55 -9.279 4.468 -6.968 460 1HD1 LEU 55 1HD1 LEU 55 -6.995 4.112 -8.321 461 2HD1 LEU 55 2HD1 LEU 55 -7.006 4.625 -6.633 462 3HD1 LEU 55 3HD1 LEU 55 -6.794 5.817 -7.916 463 1HD2 LEU 55 1HD2 LEU 55 -8.443 7.199 -7.945 464 2HD2 LEU 55 2HD2 LEU 55 -9.075 6.746 -6.362 465 3HD2 LEU 55 3HD2 LEU 55 -10.144 6.773 -7.764 466 H LEU 56 H LEU 56 -10.450 4.814 -11.897 467 HA LEU 56 HA LEU 56 -8.460 3.246 -13.505 468 1HB LEU 56 1HB LEU 56 -10.714 2.385 -12.367 469 2HB LEU 56 2HB LEU 56 -11.428 3.031 -13.844 470 HG LEU 56 HG LEU 56 -8.989 1.331 -14.120 471 1HD1 LEU 56 1HD1 LEU 56 -10.111 -0.713 -13.813 472 2HD1 LEU 56 2HD1 LEU 56 -11.703 0.045 -13.882 473 3HD1 LEU 56 3HD1 LEU 56 -10.685 0.259 -12.457 474 1HD2 LEU 56 1HD2 LEU 56 -11.475 2.000 -15.671 475 2HD2 LEU 56 2HD2 LEU 56 -10.593 0.521 -16.050 476 3HD2 LEU 56 3HD2 LEU 56 -9.789 2.086 -16.183 477 H ASN 57 H ASN 57 -8.675 6.184 -13.842 478 HA ASN 57 HA ASN 57 -10.197 6.455 -16.384 479 1HB ASN 57 1HB ASN 57 -9.825 8.079 -14.185 480 2HB ASN 57 2HB ASN 57 -8.687 8.758 -15.344 481 1HD2 ASN 57 1HD2 ASN 57 -9.744 10.537 -16.325 482 2HD2 ASN 57 2HD2 ASN 57 -11.333 10.487 -16.921 483 HA PRO 58 HA PRO 58 -6.149 6.030 -18.330 484 1HB PRO 58 1HB PRO 58 -7.056 5.576 -20.862 485 2HB PRO 58 2HB PRO 58 -7.002 4.314 -19.617 486 1HG PRO 58 1HG PRO 58 -9.308 5.795 -20.698 487 2HG PRO 58 2HG PRO 58 -9.231 4.177 -19.992 488 1HD PRO 58 1HD PRO 58 -10.146 6.519 -18.731 489 2HD PRO 58 2HD PRO 58 -9.817 4.954 -17.959 490 H TYR 59 H TYR 59 -8.191 8.633 -18.316 491 HA TYR 59 HA TYR 59 -7.165 10.005 -20.723 492 1HB TYR 59 1HB TYR 59 -9.226 10.517 -18.573 493 2HB TYR 59 2HB TYR 59 -8.744 11.804 -19.688 494 HD1 TYR 59 HD1 TYR 59 -9.904 12.006 -21.707 495 HD2 TYR 59 HD2 TYR 59 -9.760 8.187 -19.741 496 HE1 TYR 59 HE1 TYR 59 -11.400 11.054 -23.443 497 HE2 TYR 59 HE2 TYR 59 -11.254 7.238 -21.475 498 HH TYR 59 HH TYR 59 -11.720 8.026 -24.132 499 H VAL 60 H VAL 60 -6.517 9.871 -17.231 500 HA VAL 60 HA VAL 60 -4.989 12.435 -17.394 501 HB VAL 60 HB VAL 60 -4.917 12.263 -14.945 502 1HG1 VAL 60 1HG1 VAL 60 -7.605 11.791 -14.764 503 2HG1 VAL 60 2HG1 VAL 60 -7.431 12.115 -16.488 504 3HG1 VAL 60 3HG1 VAL 60 -6.897 13.310 -15.309 505 1HG2 VAL 60 1HG2 VAL 60 -5.140 9.509 -15.386 506 2HG2 VAL 60 2HG2 VAL 60 -6.688 9.950 -14.670 507 3HG2 VAL 60 3HG2 VAL 60 -5.188 10.317 -13.820 508 H LYS 61 H LYS 61 -3.900 10.069 -18.805 509 HA LYS 61 HA LYS 61 -1.879 8.872 -18.995 510 1HB LYS 61 1HB LYS 61 -1.273 11.387 -17.458 511 2HB LYS 61 2HB LYS 61 0.018 10.241 -17.815 512 1HG LYS 61 1HG LYS 61 -1.835 11.178 -19.995 513 2HG LYS 61 2HG LYS 61 -0.441 12.152 -19.523 514 1HD LYS 61 1HD LYS 61 0.791 9.782 -19.737 515 2HD LYS 61 2HD LYS 61 -0.526 9.496 -20.875 516 1HE LYS 61 1HE LYS 61 1.147 10.465 -22.238 517 2HE LYS 61 2HE LYS 61 0.134 11.861 -21.821 518 1HZ LYS 61 1HZ LYS 61 1.571 12.417 -20.031 519 2HZ LYS 61 2HZ LYS 61 2.560 12.189 -21.393 520 3HZ LYS 61 3HZ LYS 61 2.461 10.982 -20.201 521 H ARG 62 H ARG 62 0.150 8.113 -17.427 522 HA ARG 62 HA ARG 62 -1.154 6.927 -14.996 523 1HB ARG 62 1HB ARG 62 -0.439 5.419 -16.884 524 2HB ARG 62 2HB ARG 62 1.222 5.956 -16.623 525 1HG ARG 62 1HG ARG 62 -0.270 4.981 -14.235 526 2HG ARG 62 2HG ARG 62 0.219 3.771 -15.420 527 1HD ARG 62 1HD ARG 62 2.310 5.759 -14.717 528 2HD ARG 62 2HD ARG 62 1.864 4.621 -13.430 529 HE ARG 62 HE ARG 62 2.550 2.795 -14.842 530 1HH1 ARG 62 1HH1 ARG 62 1.576 3.998 -17.448 531 2HH1 ARG 62 2HH1 ARG 62 3.071 4.282 -18.276 532 1HH2 ARG 62 1HH2 ARG 62 5.016 3.975 -15.422 533 2HH2 ARG 62 2HH2 ARG 62 5.018 4.269 -17.128 534 H SER 63 H SER 63 2.128 7.897 -16.193 535 HA SER 63 HA SER 63 3.336 8.081 -13.591 536 1HB SER 63 1HB SER 63 4.862 8.104 -15.365 537 2HB SER 63 2HB SER 63 3.885 9.214 -16.321 538 HG SER 63 HG SER 63 5.681 10.289 -15.473 539 H VAL 64 H VAL 64 1.597 10.548 -15.546 540 HA VAL 64 HA VAL 64 2.073 12.757 -13.735 541 HB VAL 64 HB VAL 64 -0.254 12.218 -15.629 542 1HG1 VAL 64 1HG1 VAL 64 -0.149 14.180 -13.742 543 2HG1 VAL 64 2HG1 VAL 64 -0.967 14.363 -15.292 544 3HG1 VAL 64 3HG1 VAL 64 0.670 14.983 -15.080 545 1HG2 VAL 64 1HG2 VAL 64 2.398 12.408 -16.296 546 2HG2 VAL 64 2HG2 VAL 64 1.907 14.099 -16.381 547 3HG2 VAL 64 3HG2 VAL 64 1.076 12.888 -17.359 548 H LYS 65 H LYS 65 -0.567 10.323 -13.932 549 HA LYS 65 HA LYS 65 -2.235 11.386 -11.862 550 1HB LYS 65 1HB LYS 65 -2.409 9.283 -13.529 551 2HB LYS 65 2HB LYS 65 -1.880 8.422 -12.082 552 1HG LYS 65 1HG LYS 65 -4.094 10.427 -11.833 553 2HG LYS 65 2HG LYS 65 -4.458 8.845 -12.522 554 1HD LYS 65 1HD LYS 65 -2.817 8.825 -10.048 555 2HD LYS 65 2HD LYS 65 -4.492 9.344 -9.855 556 1HE LYS 65 1HE LYS 65 -4.439 6.934 -9.562 557 2HE LYS 65 2HE LYS 65 -5.169 7.249 -11.149 558 1HZ LYS 65 1HZ LYS 65 -3.306 5.577 -11.139 559 2HZ LYS 65 2HZ LYS 65 -2.253 6.857 -10.767 560 3HZ LYS 65 3HZ LYS 65 -3.121 6.864 -12.228 561 H VAL 66 H VAL 66 0.732 9.385 -11.635 562 HA VAL 66 HA VAL 66 0.554 8.653 -8.875 563 HB VAL 66 HB VAL 66 2.991 9.362 -10.560 564 1HG1 VAL 66 1HG1 VAL 66 3.677 9.323 -8.260 565 2HG1 VAL 66 2HG1 VAL 66 4.135 7.762 -8.942 566 3HG1 VAL 66 3HG1 VAL 66 2.700 7.893 -7.927 567 1HG2 VAL 66 1HG2 VAL 66 2.837 7.293 -11.500 568 2HG2 VAL 66 2HG2 VAL 66 1.149 7.362 -10.996 569 3HG2 VAL 66 3HG2 VAL 66 2.337 6.539 -9.986 570 H LYS 67 H LYS 67 1.750 11.690 -10.388 571 HA LYS 67 HA LYS 67 2.804 12.928 -8.031 572 1HB LYS 67 1HB LYS 67 2.744 13.651 -10.572 573 2HB LYS 67 2HB LYS 67 1.274 14.501 -10.093 574 1HG LYS 67 1HG LYS 67 3.032 16.080 -9.795 575 2HG LYS 67 2HG LYS 67 2.656 15.494 -8.175 576 1HD LYS 67 1HD LYS 67 4.533 13.942 -8.253 577 2HD LYS 67 2HD LYS 67 4.874 14.391 -9.924 578 1HE LYS 67 1HE LYS 67 5.845 16.394 -9.330 579 2HE LYS 67 2HE LYS 67 4.778 16.612 -7.929 580 1HZ LYS 67 1HZ LYS 67 6.932 14.574 -8.145 581 2HZ LYS 67 2HZ LYS 67 5.915 14.814 -6.804 582 3HZ LYS 67 3HZ LYS 67 7.038 16.009 -7.248 583 H SER 68 H SER 68 -0.568 12.812 -9.265 584 HA SER 68 HA SER 68 -1.740 14.629 -7.385 585 1HB SER 68 1HB SER 68 -2.888 13.680 -9.377 586 2HB SER 68 2HB SER 68 -2.913 12.098 -8.603 587 HG SER 68 HG SER 68 -4.860 13.417 -8.365 588 H LEU 69 H LEU 69 -0.999 11.125 -7.068 589 HA LEU 69 HA LEU 69 -2.334 10.669 -4.572 590 1HB LEU 69 1HB LEU 69 0.000 9.457 -6.027 591 2HB LEU 69 2HB LEU 69 -0.318 8.949 -4.368 592 HG LEU 69 HG LEU 69 -2.632 9.056 -6.253 593 1HD1 LEU 69 1HD1 LEU 69 -0.424 6.988 -6.309 594 2HD1 LEU 69 2HD1 LEU 69 -1.068 7.916 -7.662 595 3HD1 LEU 69 3HD1 LEU 69 -2.050 6.660 -6.908 596 1HD2 LEU 69 1HD2 LEU 69 -2.011 6.794 -4.405 597 2HD2 LEU 69 2HD2 LEU 69 -3.559 7.564 -4.756 598 3HD2 LEU 69 3HD2 LEU 69 -2.409 8.349 -3.674 599 H SER 70 H SER 70 1.013 11.827 -5.230 600 HA SER 70 HA SER 70 1.861 11.980 -2.483 601 1HB SER 70 1HB SER 70 3.578 12.225 -4.071 602 2HB SER 70 2HB SER 70 2.635 13.337 -5.060 603 HG SER 70 HG SER 70 3.996 13.799 -2.631 604 H ASP 71 H ASP 71 0.186 14.386 -4.567 605 HA ASP 71 HA ASP 71 0.154 16.473 -2.539 606 1HB ASP 71 1HB ASP 71 -0.337 16.409 -5.187 607 2HB ASP 71 2HB ASP 71 -1.999 16.322 -4.605 608 H MET 72 H MET 72 -1.756 13.553 -2.876 609 HA MET 72 HA MET 72 -4.002 14.639 -1.260 610 1HB MET 72 1HB MET 72 -4.286 12.965 -3.151 611 2HB MET 72 2HB MET 72 -3.410 11.793 -2.166 612 1HG MET 72 1HG MET 72 -5.118 12.110 -0.362 613 2HG MET 72 2HG MET 72 -6.026 13.152 -1.458 614 1HE MET 72 1HE MET 72 -4.107 9.660 -2.718 615 2HE MET 72 2HE MET 72 -5.140 8.726 -1.639 616 3HE MET 72 3HE MET 72 -4.170 10.047 -0.992 617 H THR 73 H THR 73 -1.330 12.256 -1.020 618 HA THR 73 HA THR 73 -1.719 11.439 1.688 619 HB THR 73 HB THR 73 0.569 11.617 -0.262 620 HG1 THR 73 HG1 THR 73 0.409 9.449 -0.134 621 1HG2 THR 73 1HG2 THR 73 0.871 11.190 2.692 622 2HG2 THR 73 2HG2 THR 73 1.896 12.102 1.583 623 3HG2 THR 73 3HG2 THR 73 1.924 10.338 1.562 624 H ALA 74 H ALA 74 -0.097 14.366 0.344 625 HA ALA 74 HA ALA 74 1.097 15.360 2.740 626 1HB ALA 74 1HB ALA 74 -0.104 16.653 0.287 627 2HB ALA 74 2HB ALA 74 1.597 16.507 0.731 628 3HB ALA 74 3HB ALA 74 0.557 17.645 1.587 629 H LYS 75 H LYS 75 -2.298 15.629 1.598 630 HA LYS 75 HA LYS 75 -3.040 17.199 4.013 631 1HB LYS 75 1HB LYS 75 -4.675 16.118 1.687 632 2HB LYS 75 2HB LYS 75 -5.262 17.247 2.909 633 1HG LYS 75 1HG LYS 75 -3.752 18.958 2.191 634 2HG LYS 75 2HG LYS 75 -2.845 17.827 1.186 635 1HD LYS 75 1HD LYS 75 -4.519 17.724 -0.442 636 2HD LYS 75 2HD LYS 75 -5.776 18.252 0.676 637 1HE LYS 75 1HE LYS 75 -5.439 20.214 -0.551 638 2HE LYS 75 2HE LYS 75 -4.277 20.461 0.768 639 1HZ LYS 75 1HZ LYS 75 -3.663 19.144 -1.826 640 2HZ LYS 75 2HZ LYS 75 -2.562 19.435 -0.566 641 3HZ LYS 75 3HZ LYS 75 -3.237 20.736 -1.424 642 H GLU 76 H GLU 76 -3.404 13.878 2.720 643 HA GLU 76 HA GLU 76 -5.355 12.957 4.631 644 1HB GLU 76 1HB GLU 76 -3.155 11.502 3.128 645 2HB GLU 76 2HB GLU 76 -4.467 10.698 3.990 646 1HG GLU 76 1HG GLU 76 -5.197 12.823 2.022 647 2HG GLU 76 2HG GLU 76 -4.661 11.266 1.390 648 H LYS 77 H LYS 77 -1.930 13.679 5.092 649 HA LYS 77 HA LYS 77 -0.552 13.421 6.972 650 1HB LYS 77 1HB LYS 77 -3.353 13.544 7.936 651 2HB LYS 77 2HB LYS 77 -2.216 12.830 9.075 652 1HG LYS 77 1HG LYS 77 -1.384 14.857 9.585 653 2HG LYS 77 2HG LYS 77 -1.009 15.166 7.891 654 1HD LYS 77 1HD LYS 77 -2.532 16.889 8.683 655 2HD LYS 77 2HD LYS 77 -3.391 15.856 7.539 656 1HE LYS 77 1HE LYS 77 -4.655 14.817 9.225 657 2HE LYS 77 2HE LYS 77 -3.488 15.244 10.493 658 1HZ LYS 77 1HZ LYS 77 -5.187 17.140 8.958 659 2HZ LYS 77 2HZ LYS 77 -4.002 17.592 10.088 660 3HZ LYS 77 3HZ LYS 77 -5.376 16.731 10.593 661 H PHE 78 H PHE 78 -0.707 11.163 5.328 662 HA PHE 78 HA PHE 78 -1.511 8.711 6.545 663 1HB PHE 78 1HB PHE 78 0.353 9.568 4.407 664 2HB PHE 78 2HB PHE 78 0.726 8.000 5.122 665 HD1 PHE 78 HD1 PHE 78 -0.985 9.410 2.485 666 HD2 PHE 78 HD2 PHE 78 -1.621 6.673 5.733 667 HE1 PHE 78 HE1 PHE 78 -2.869 8.372 1.244 668 HE2 PHE 78 HE2 PHE 78 -3.506 5.639 4.496 669 HZ PHE 78 HZ PHE 78 -4.129 6.483 2.253 670 H SER 79 H SER 79 0.535 6.993 7.017 671 HA SER 79 HA SER 79 1.819 8.172 9.419 672 1HB SER 79 1HB SER 79 1.487 6.093 10.358 673 2HB SER 79 2HB SER 79 0.258 5.979 9.109 674 HG SER 79 HG SER 79 1.513 4.656 7.982 675 HA PRO 80 HA PRO 80 5.832 7.547 7.787 676 1HB PRO 80 1HB PRO 80 7.206 5.828 9.388 677 2HB PRO 80 2HB PRO 80 6.798 7.488 9.853 678 1HG PRO 80 1HG PRO 80 5.532 4.935 10.663 679 2HG PRO 80 2HG PRO 80 5.790 6.418 11.595 680 1HD PRO 80 1HD PRO 80 3.407 5.677 10.467 681 2HD PRO 80 2HD PRO 80 3.841 7.347 10.883 682 H LEU 81 H LEU 81 3.850 4.685 7.907 683 HA LEU 81 HA LEU 81 5.729 3.345 6.004 684 1HB LEU 81 1HB LEU 81 4.041 2.468 8.281 685 2HB LEU 81 2HB LEU 81 3.981 1.426 6.851 686 HG LEU 81 HG LEU 81 6.699 2.337 7.607 687 1HD1 LEU 81 1HD1 LEU 81 5.089 0.476 9.370 688 2HD1 LEU 81 2HD1 LEU 81 5.878 1.978 9.846 689 3HD1 LEU 81 3HD1 LEU 81 6.848 0.574 9.400 690 1HD2 LEU 81 1HD2 LEU 81 6.965 -0.257 7.309 691 2HD2 LEU 81 2HD2 LEU 81 6.647 0.744 5.892 692 3HD2 LEU 81 3HD2 LEU 81 5.333 -0.165 6.642 693 H THR 82 H THR 82 3.508 5.449 5.460 694 HA THR 82 HA THR 82 2.033 3.739 3.525 695 HB THR 82 HB THR 82 0.614 6.006 4.895 696 HG1 THR 82 HG1 THR 82 1.057 3.421 6.049 697 1HG2 THR 82 1HG2 THR 82 -0.910 3.639 4.711 698 2HG2 THR 82 2HG2 THR 82 0.042 3.669 3.232 699 3HG2 THR 82 3HG2 THR 82 -0.999 5.028 3.634 700 H SER 83 H SER 83 4.350 5.833 3.321 701 HA SER 83 HA SER 83 3.020 7.419 1.164 702 1HB SER 83 1HB SER 83 3.505 9.024 2.873 703 2HB SER 83 2HB SER 83 5.002 8.213 3.324 704 HG SER 83 HG SER 83 5.533 10.002 2.113 705 H ASN 84 H ASN 84 3.942 5.009 0.673 706 HA ASN 84 HA ASN 84 6.156 5.384 -1.221 707 1HB ASN 84 1HB ASN 84 6.430 3.991 1.434 708 2HB ASN 84 2HB ASN 84 7.283 3.312 0.047 709 1HD2 ASN 84 1HD2 ASN 84 8.267 4.925 2.547 710 2HD2 ASN 84 2HD2 ASN 84 9.223 6.148 1.859 711 H LEU 85 H LEU 85 4.472 2.847 0.713 712 HA LEU 85 HA LEU 85 4.113 0.944 -1.396 713 1HB LEU 85 1HB LEU 85 3.736 0.420 0.984 714 2HB LEU 85 2HB LEU 85 2.425 1.595 1.062 715 HG LEU 85 HG LEU 85 1.236 0.243 -0.722 716 1HD1 LEU 85 1HD1 LEU 85 2.101 -1.718 -1.531 717 2HD1 LEU 85 2HD1 LEU 85 2.886 -2.121 -0.005 718 3HD1 LEU 85 3HD1 LEU 85 3.635 -0.963 -1.103 719 1HD2 LEU 85 1HD2 LEU 85 0.201 -1.051 0.891 720 2HD2 LEU 85 2HD2 LEU 85 1.115 0.032 1.942 721 3HD2 LEU 85 3HD2 LEU 85 1.728 -1.585 1.593 722 H ILE 86 H ILE 86 2.364 4.006 -0.626 723 HA ILE 86 HA ILE 86 0.027 3.438 -2.226 724 HB ILE 86 HB ILE 86 1.406 6.046 -1.487 725 1HG1 ILE 86 1HG1 ILE 86 -1.010 4.595 -0.348 726 2HG1 ILE 86 2HG1 ILE 86 0.579 4.690 0.408 727 1HG2 ILE 86 1HG2 ILE 86 -0.846 5.516 -3.281 728 2HG2 ILE 86 2HG2 ILE 86 0.014 7.027 -2.988 729 3HG2 ILE 86 3HG2 ILE 86 -1.317 6.553 -1.933 730 1HD1 ILE 86 1HD1 ILE 86 0.342 7.198 0.417 731 2HD1 ILE 86 2HD1 ILE 86 -0.834 6.364 1.434 732 3HD1 ILE 86 3HD1 ILE 86 -1.317 6.987 -0.144 733 H ASN 87 H ASN 87 3.200 4.924 -3.034 734 HA ASN 87 HA ASN 87 2.605 5.576 -5.773 735 1HB ASN 87 1HB ASN 87 4.693 6.059 -4.218 736 2HB ASN 87 2HB ASN 87 5.312 4.564 -4.919 737 1HD2 ASN 87 1HD2 ASN 87 5.825 7.710 -5.366 738 2HD2 ASN 87 2HD2 ASN 87 5.888 7.801 -7.060 739 H LEU 88 H LEU 88 4.032 2.588 -4.343 740 HA LEU 88 HA LEU 88 4.392 1.073 -6.720 741 1HB LEU 88 1HB LEU 88 3.931 0.513 -3.837 742 2HB LEU 88 2HB LEU 88 3.549 -0.817 -4.926 743 HG LEU 88 HG LEU 88 6.126 0.656 -5.321 744 1HD1 LEU 88 1HD1 LEU 88 5.478 -1.276 -3.095 745 2HD1 LEU 88 2HD1 LEU 88 6.335 0.263 -2.998 746 3HD1 LEU 88 3HD1 LEU 88 7.115 -1.137 -3.736 747 1HD2 LEU 88 1HD2 LEU 88 5.861 -2.306 -5.409 748 2HD2 LEU 88 2HD2 LEU 88 6.698 -1.219 -6.517 749 3HD2 LEU 88 3HD2 LEU 88 4.949 -1.409 -6.623 750 H LEU 89 H LEU 89 1.417 1.494 -4.746 751 HA LEU 89 HA LEU 89 -0.257 -0.304 -6.243 752 1HB LEU 89 1HB LEU 89 -0.844 2.229 -4.670 753 2HB LEU 89 2HB LEU 89 -2.109 1.174 -5.303 754 HG LEU 89 HG LEU 89 0.119 0.241 -3.470 755 1HD1 LEU 89 1HD1 LEU 89 -1.532 1.888 -2.441 756 2HD1 LEU 89 2HD1 LEU 89 -1.473 0.304 -1.669 757 3HD1 LEU 89 3HD1 LEU 89 -2.795 0.700 -2.766 758 1HD2 LEU 89 1HD2 LEU 89 -2.386 -1.029 -4.600 759 2HD2 LEU 89 2HD2 LEU 89 -1.523 -1.701 -3.217 760 3HD2 LEU 89 3HD2 LEU 89 -0.720 -1.576 -4.782 761 H ALA 90 H ALA 90 0.497 3.179 -6.713 762 HA ALA 90 HA ALA 90 -1.006 3.077 -9.303 763 1HB ALA 90 1HB ALA 90 -1.447 5.303 -8.939 764 2HB ALA 90 2HB ALA 90 0.151 5.608 -8.256 765 3HB ALA 90 3HB ALA 90 -1.107 4.868 -7.264 766 H GLU 91 H GLU 91 1.802 1.905 -8.825 767 HA GLU 91 HA GLU 91 3.475 3.779 -10.443 768 1HB GLU 91 1HB GLU 91 4.392 2.710 -8.393 769 2HB GLU 91 2HB GLU 91 4.109 1.122 -9.105 770 1HG GLU 91 1HG GLU 91 5.749 1.449 -10.776 771 2HG GLU 91 2HG GLU 91 5.779 3.195 -10.524 772 H ASN 92 H ASN 92 2.222 0.393 -10.561 773 HA ASN 92 HA ASN 92 2.682 0.473 -13.528 774 1HB ASN 92 1HB ASN 92 3.027 -1.788 -11.533 775 2HB ASN 92 2HB ASN 92 3.179 -1.971 -13.281 776 1HD2 ASN 92 1HD2 ASN 92 5.338 -2.264 -11.146 777 2HD2 ASN 92 2HD2 ASN 92 6.544 -1.160 -11.604 778 H GLY 93 H GLY 93 0.156 1.103 -11.950 779 1HA GLY 93 1HA GLY 93 -2.114 0.705 -12.460 780 2HA GLY 93 2HA GLY 93 -1.623 -0.672 -13.450 781 H ARG 94 H ARG 94 -1.035 0.074 -9.964 782 HA ARG 94 HA ARG 94 -2.134 -2.649 -9.378 783 1HB ARG 94 1HB ARG 94 0.078 -0.955 -8.327 784 2HB ARG 94 2HB ARG 94 -0.751 -1.991 -7.165 785 1HG ARG 94 1HG ARG 94 -0.441 -3.751 -9.197 786 2HG ARG 94 2HG ARG 94 0.975 -2.734 -9.466 787 1HD ARG 94 1HD ARG 94 1.450 -3.017 -6.943 788 2HD ARG 94 2HD ARG 94 0.274 -4.346 -7.004 789 HE ARG 94 HE ARG 94 2.850 -4.260 -8.489 790 1HH1 ARG 94 1HH1 ARG 94 0.286 -5.516 -9.787 791 2HH1 ARG 94 2HH1 ARG 94 0.586 -7.189 -9.454 792 1HH2 ARG 94 1HH2 ARG 94 3.080 -6.554 -7.131 793 2HH2 ARG 94 2HH2 ARG 94 2.167 -7.777 -7.951 794 H LEU 95 H LEU 95 -3.692 0.082 -9.535 795 HA LEU 95 HA LEU 95 -4.696 0.091 -6.708 796 1HB LEU 95 1HB LEU 95 -4.595 2.082 -8.970 797 2HB LEU 95 2HB LEU 95 -5.817 2.267 -7.713 798 HG LEU 95 HG LEU 95 -2.877 1.919 -7.090 799 1HD1 LEU 95 1HD1 LEU 95 -4.495 4.436 -7.538 800 2HD1 LEU 95 2HD1 LEU 95 -3.000 3.959 -8.342 801 3HD1 LEU 95 3HD1 LEU 95 -2.977 4.424 -6.639 802 1HD2 LEU 95 1HD2 LEU 95 -4.364 1.404 -5.238 803 2HD2 LEU 95 2HD2 LEU 95 -5.279 2.886 -5.511 804 3HD2 LEU 95 3HD2 LEU 95 -3.616 2.970 -4.929 805 H THR 96 H THR 96 -5.377 -2.004 -8.693 806 HA THR 96 HA THR 96 -8.290 -1.447 -9.131 807 HB THR 96 HB THR 96 -6.872 -3.791 -10.334 808 HG1 THR 96 HG1 THR 96 -5.789 -2.575 -11.772 809 1HG2 THR 96 1HG2 THR 96 -9.336 -2.858 -10.631 810 2HG2 THR 96 2HG2 THR 96 -8.464 -3.559 -11.995 811 3HG2 THR 96 3HG2 THR 96 -8.552 -1.807 -11.810 812 H ASN 97 H ASN 97 -5.972 -4.073 -8.225 813 HA ASN 97 HA ASN 97 -8.113 -5.316 -6.554 814 1HB ASN 97 1HB ASN 97 -5.412 -6.262 -7.587 815 2HB ASN 97 2HB ASN 97 -6.465 -7.233 -6.553 816 1HD2 ASN 97 1HD2 ASN 97 -6.196 -5.791 -9.823 817 2HD2 ASN 97 2HD2 ASN 97 -7.441 -6.724 -10.502 818 H THR 98 H THR 98 -6.704 -2.787 -5.718 819 HA THR 98 HA THR 98 -4.583 -3.366 -3.908 820 HB THR 98 HB THR 98 -5.166 -1.113 -4.786 821 HG1 THR 98 HG1 THR 98 -3.858 -1.183 -3.006 822 1HG2 THR 98 1HG2 THR 98 -7.429 -1.291 -2.779 823 2HG2 THR 98 2HG2 THR 98 -7.605 -1.222 -4.532 824 3HG2 THR 98 3HG2 THR 98 -6.956 0.163 -3.656 825 HA PRO 99 HA PRO 99 -7.990 -3.660 -0.459 826 1HB PRO 99 1HB PRO 99 -10.170 -5.178 -1.186 827 2HB PRO 99 2HB PRO 99 -10.161 -3.401 -1.203 828 1HG PRO 99 1HG PRO 99 -9.691 -5.310 -3.457 829 2HG PRO 99 2HG PRO 99 -10.711 -3.859 -3.408 830 1HD PRO 99 1HD PRO 99 -8.333 -3.763 -4.537 831 2HD PRO 99 2HD PRO 99 -8.893 -2.417 -3.538 832 H ALA 100 H ALA 100 -7.656 -6.201 -2.984 833 HA ALA 100 HA ALA 100 -7.574 -8.479 -1.220 834 1HB ALA 100 1HB ALA 100 -7.646 -8.349 -3.811 835 2HB ALA 100 2HB ALA 100 -6.662 -9.629 -3.101 836 3HB ALA 100 3HB ALA 100 -5.893 -8.169 -3.722 837 H VAL 101 H VAL 101 -5.038 -6.132 -2.192 838 HA VAL 101 HA VAL 101 -2.823 -7.547 -0.950 839 HB VAL 101 HB VAL 101 -3.199 -4.573 -1.485 840 1HG1 VAL 101 1HG1 VAL 101 -0.564 -5.033 -1.831 841 2HG1 VAL 101 2HG1 VAL 101 -0.910 -6.266 -0.617 842 3HG1 VAL 101 3HG1 VAL 101 -1.251 -4.569 -0.273 843 1HG2 VAL 101 1HG2 VAL 101 -1.565 -6.180 -3.343 844 2HG2 VAL 101 2HG2 VAL 101 -2.775 -4.946 -3.688 845 3HG2 VAL 101 3HG2 VAL 101 -3.277 -6.601 -3.350 846 H ILE 102 H ILE 102 -5.136 -5.068 0.237 847 HA ILE 102 HA ILE 102 -3.799 -4.695 2.800 848 HB ILE 102 HB ILE 102 -6.681 -4.191 1.962 849 1HG1 ILE 102 1HG1 ILE 102 -4.691 -1.991 2.182 850 2HG1 ILE 102 2HG1 ILE 102 -4.481 -3.087 0.817 851 1HG2 ILE 102 1HG2 ILE 102 -5.022 -3.103 4.258 852 2HG2 ILE 102 2HG2 ILE 102 -6.426 -4.161 4.393 853 3HG2 ILE 102 3HG2 ILE 102 -6.619 -2.509 3.805 854 1HD1 ILE 102 1HD1 ILE 102 -7.252 -2.148 1.352 855 2HD1 ILE 102 2HD1 ILE 102 -6.438 -2.434 -0.187 856 3HD1 ILE 102 3HD1 ILE 102 -6.121 -0.952 0.717 857 H SER 103 H SER 103 -6.429 -6.877 1.681 858 HA SER 103 HA SER 103 -7.272 -7.837 4.247 859 1HB SER 103 1HB SER 103 -8.360 -9.524 3.018 860 2HB SER 103 2HB SER 103 -8.141 -8.279 1.793 861 HG SER 103 HG SER 103 -7.455 -10.444 1.186 862 H ALA 104 H ALA 104 -4.672 -9.072 2.078 863 HA ALA 104 HA ALA 104 -3.812 -11.249 3.735 864 1HB ALA 104 1HB ALA 104 -3.088 -10.358 1.327 865 2HB ALA 104 2HB ALA 104 -1.979 -11.328 2.295 866 3HB ALA 104 3HB ALA 104 -1.809 -9.573 2.253 867 H PHE 105 H PHE 105 -3.085 -7.749 3.937 868 HA PHE 105 HA PHE 105 -0.916 -7.808 5.783 869 1HB PHE 105 1HB PHE 105 -2.072 -5.838 4.542 870 2HB PHE 105 2HB PHE 105 -3.178 -5.803 5.915 871 HD1 PHE 105 HD1 PHE 105 -1.937 -5.924 8.302 872 HD2 PHE 105 HD2 PHE 105 -0.175 -4.505 4.657 873 HE1 PHE 105 HE1 PHE 105 -0.272 -4.647 9.603 874 HE2 PHE 105 HE2 PHE 105 1.494 -3.229 5.962 875 HZ PHE 105 HZ PHE 105 1.444 -3.307 8.436 876 H SER 106 H SER 106 -4.457 -7.975 6.411 877 HA SER 106 HA SER 106 -4.176 -7.910 9.306 878 1HB SER 106 1HB SER 106 -6.328 -7.374 8.525 879 2HB SER 106 2HB SER 106 -6.328 -8.679 7.344 880 HG SER 106 HG SER 106 -7.627 -9.317 9.018 881 H THR 107 H THR 107 -4.244 -10.595 6.935 882 HA THR 107 HA THR 107 -4.212 -12.627 9.071 883 HB THR 107 HB THR 107 -3.317 -13.357 6.338 884 HG1 THR 107 HG1 THR 107 -5.252 -12.872 5.387 885 1HG2 THR 107 1HG2 THR 107 -3.966 -15.211 7.547 886 2HG2 THR 107 2HG2 THR 107 -5.506 -14.816 6.783 887 3HG2 THR 107 3HG2 THR 107 -5.194 -14.323 8.448 888 H MET 108 H MET 108 -1.788 -10.895 7.100 889 HA MET 108 HA MET 108 0.400 -12.679 7.887 890 1HB MET 108 1HB MET 108 0.258 -9.911 6.652 891 2HB MET 108 2HB MET 108 1.773 -10.766 6.937 892 1HG MET 108 1HG MET 108 1.393 -12.289 5.262 893 2HG MET 108 2HG MET 108 -0.349 -12.302 5.532 894 1HE MET 108 1HE MET 108 1.421 -12.311 2.913 895 2HE MET 108 2HE MET 108 0.623 -11.218 1.784 896 3HE MET 108 3HE MET 108 -0.332 -12.390 2.688 897 H MET 109 H MET 109 -0.956 -9.569 9.106 898 HA MET 109 HA MET 109 1.189 -9.023 10.960 899 1HB MET 109 1HB MET 109 -0.466 -7.567 12.078 900 2HB MET 109 2HB MET 109 -0.562 -7.382 10.330 901 1HG MET 109 1HG MET 109 -2.561 -8.646 10.199 902 2HG MET 109 2HG MET 109 -2.355 -9.301 11.821 903 1HE MET 109 1HE MET 109 -3.832 -8.192 13.876 904 2HE MET 109 2HE MET 109 -4.474 -8.979 12.436 905 3HE MET 109 3HE MET 109 -5.220 -7.497 13.028 906 H SER 110 H SER 110 -1.636 -11.242 11.206 907 HA SER 110 HA SER 110 -1.451 -11.690 14.053 908 1HB SER 110 1HB SER 110 -2.207 -13.644 11.844 909 2HB SER 110 2HB SER 110 -2.627 -13.806 13.547 910 HG SER 110 HG SER 110 -3.958 -12.073 13.383 911 H VAL 111 H VAL 111 0.477 -13.008 11.343 912 HA VAL 111 HA VAL 111 1.840 -14.961 13.067 913 HB VAL 111 HB VAL 111 2.516 -13.894 10.301 914 1HG1 VAL 111 1HG1 VAL 111 3.630 -16.078 12.025 915 2HG1 VAL 111 2HG1 VAL 111 4.472 -14.970 10.944 916 3HG1 VAL 111 3HG1 VAL 111 3.565 -16.329 10.281 917 1HG2 VAL 111 1HG2 VAL 111 0.253 -15.228 10.961 918 2HG2 VAL 111 2HG2 VAL 111 1.340 -16.595 10.723 919 3HG2 VAL 111 3HG2 VAL 111 1.072 -15.444 9.414 920 H HIS 112 H HIS 112 2.184 -11.527 12.746 921 HA HIS 112 HA HIS 112 5.085 -11.584 13.264 922 1HB HIS 112 1HB HIS 112 4.996 -9.469 12.412 923 2HB HIS 112 2HB HIS 112 3.370 -9.900 11.906 924 HD1 HIS 112 HD1 HIS 112 1.519 -9.400 14.025 925 HD2 HIS 112 HD2 HIS 112 5.006 -7.198 13.840 926 HE1 HIS 112 HE1 HIS 112 1.130 -7.363 15.459 927 H ARG 113 H ARG 113 2.043 -11.388 15.083 928 HA ARG 113 HA ARG 113 3.434 -10.334 17.488 929 1HB ARG 113 1HB ARG 113 1.041 -9.774 16.671 930 2HB ARG 113 2HB ARG 113 0.593 -11.362 17.296 931 1HG ARG 113 1HG ARG 113 0.860 -10.728 19.484 932 2HG ARG 113 2HG ARG 113 2.195 -9.636 19.112 933 1HD ARG 113 1HD ARG 113 0.513 -8.071 18.046 934 2HD ARG 113 2HD ARG 113 -0.766 -9.116 18.695 935 HE ARG 113 HE ARG 113 1.052 -7.425 20.292 936 1HH1 ARG 113 1HH2 ARG 113 0.886 -10.225 21.451 937 2HH1 ARG 113 2HH2 ARG 113 -0.443 -10.062 22.550 938 1HH2 ARG 113 1HH1 ARG 113 -1.584 -7.103 21.147 939 2HH2 ARG 113 2HH1 ARG 113 -1.841 -8.295 22.378 940 H GLY 114 H GLY 114 2.100 -13.444 16.271 941 1HA GLY 114 1HA GLY 114 2.935 -14.728 18.831 942 2HA GLY 114 2HA GLY 114 1.835 -15.440 17.650 943 H GLU 115 H GLU 115 5.018 -13.899 17.014 944 HA GLU 115 HA GLU 115 6.263 -16.534 16.504 945 1HB GLU 115 1HB GLU 115 4.754 -15.699 14.529 946 2HB GLU 115 2HB GLU 115 6.084 -14.582 14.219 947 1HG GLU 115 1HG GLU 115 7.609 -16.666 14.336 948 2HG GLU 115 2HG GLU 115 6.122 -17.598 14.161 949 H VAL 116 H VAL 116 6.946 -14.301 18.293 950 HA VAL 116 HA VAL 116 9.451 -13.289 16.984 951 HB VAL 116 HB VAL 116 7.750 -12.161 19.238 952 1HG1 VAL 116 1HG1 VAL 116 9.207 -10.246 19.197 953 2HG1 VAL 116 2HG1 VAL 116 10.061 -10.853 17.778 954 3HG1 VAL 116 3HG1 VAL 116 10.241 -11.668 19.332 955 1HG2 VAL 116 1HG2 VAL 116 7.106 -10.456 17.616 956 2HG2 VAL 116 2HG2 VAL 116 6.741 -12.046 16.947 957 3HG2 VAL 116 3HG2 VAL 116 8.168 -11.165 16.400 958 HA PRO 117 HA PRO 117 11.546 -15.701 20.070 959 1HB PRO 117 1HB PRO 117 13.998 -14.491 20.013 960 2HB PRO 117 2HB PRO 117 13.434 -15.587 18.737 961 1HG PRO 117 1HG PRO 117 13.530 -12.616 18.772 962 2HG PRO 117 2HG PRO 117 13.849 -13.741 17.444 963 1HD PRO 117 1HD PRO 117 11.517 -12.343 17.728 964 2HD PRO 117 2HD PRO 117 11.642 -13.898 16.877 965 H CYS 118 H CYS 118 12.506 -15.415 22.292 966 HA CYS 118 HA CYS 118 11.998 -12.687 23.437 967 1HB CYS 118 1HB CYS 118 11.206 -15.454 24.368 968 2HB CYS 118 2HB CYS 118 11.228 -14.077 25.470 969 HG CYS 118 HG CYS 118 9.420 -12.912 23.973 970 H THR 119 H THR 119 13.990 -11.917 24.173 971 HA THR 119 HA THR 119 15.909 -13.923 25.320 972 HB THR 119 HB THR 119 16.581 -11.187 24.228 973 HG1 THR 119 HG1 THR 119 16.688 -12.036 22.229 974 1HG2 THR 119 1HG2 THR 119 18.153 -13.774 24.320 975 2HG2 THR 119 2HG2 THR 119 18.262 -12.506 25.542 976 3HG2 THR 119 3HG2 THR 119 18.765 -12.178 23.883 977 H VAL 120 H VAL 120 15.085 -10.398 25.587 978 HA VAL 120 HA VAL 120 15.164 -10.688 28.554 979 HB VAL 120 HB VAL 120 17.435 -10.111 27.785 980 1HG1 VAL 120 1HG1 VAL 120 17.819 -7.959 26.614 981 2HG1 VAL 120 2HG1 VAL 120 16.076 -7.716 26.508 982 3HG1 VAL 120 3HG1 VAL 120 16.834 -9.056 25.647 983 1HG2 VAL 120 1HG2 VAL 120 16.694 -9.151 29.908 984 2HG2 VAL 120 2HG2 VAL 120 15.944 -7.797 29.062 985 3HG2 VAL 120 3HG2 VAL 120 17.698 -7.978 29.055 986 1H GLN 1 1H GLN 1 10.038 1.245 -19.646 987 2H GLN 1 2H GLN 1 8.449 1.261 -19.046 988 3H GLN 1 3H GLN 1 8.749 1.643 -20.674 989 HA GLN 1 HA GLN 1 7.864 -0.606 -20.496 990 1HB GLN 1 1HB GLN 1 9.676 0.260 -22.127 991 2HB GLN 1 2HB GLN 1 10.816 -0.661 -21.146 992 1HG GLN 1 1HG GLN 1 9.973 -2.692 -21.822 993 2HG GLN 1 2HG GLN 1 8.336 -2.065 -22.021 994 1HE2 GLN 1 1HE2 GLN 1 11.548 -2.239 -23.618 995 2HE2 GLN 1 2HE2 GLN 1 10.967 -1.837 -25.162 996 H LYS 2 H LYS 2 7.728 -2.450 -19.183 997 HA LYS 2 HA LYS 2 10.048 -3.090 -17.411 998 1HB LYS 2 1HB LYS 2 8.423 -3.332 -15.531 999 2HB LYS 2 2HB LYS 2 8.484 -1.683 -16.148 1000 1HG LYS 2 1HG LYS 2 6.504 -3.452 -17.466 1001 2HG LYS 2 2HG LYS 2 6.167 -3.066 -15.779 1002 1HD LYS 2 1HD LYS 2 6.852 -0.608 -16.659 1003 2HD LYS 2 2HD LYS 2 6.208 -1.282 -18.157 1004 1HE LYS 2 1HE LYS 2 4.188 -2.045 -16.709 1005 2HE LYS 2 2HE LYS 2 4.789 -0.869 -15.523 1006 1HZ LYS 2 1HZ LYS 2 4.186 -0.324 -18.383 1007 2HZ LYS 2 2HZ LYS 2 4.855 0.799 -17.296 1008 3HZ LYS 2 3HZ LYS 2 3.278 0.212 -17.054 1009 H THR 3 H THR 3 9.676 -5.363 -16.372 1010 HA THR 3 HA THR 3 7.935 -7.103 -18.068 1011 HB THR 3 HB THR 3 10.860 -7.616 -17.445 1012 HG1 THR 3 HG1 THR 3 11.295 -6.854 -19.434 1013 1HG2 THR 3 1HG2 THR 3 9.121 -9.504 -17.962 1014 2HG2 THR 3 2HG2 THR 3 10.673 -9.509 -18.801 1015 3HG2 THR 3 3HG2 THR 3 9.232 -8.903 -19.617 1016 H GLY 4 H GLY 4 6.590 -7.395 -16.118 1017 1HA GLY 4 1HA GLY 4 5.980 -8.525 -14.160 1018 2HA GLY 4 2HA GLY 4 7.359 -9.586 -14.455 1019 H THR 5 H THR 5 7.447 -9.410 -11.950 1020 HA THR 5 HA THR 5 9.297 -7.170 -11.259 1021 HB THR 5 HB THR 5 7.019 -6.515 -10.601 1022 HG1 THR 5 HG1 THR 5 7.516 -6.063 -8.516 1023 1HG2 THR 5 1HG2 THR 5 7.036 -9.165 -9.133 1024 2HG2 THR 5 2HG2 THR 5 5.956 -8.684 -10.441 1025 3HG2 THR 5 3HG2 THR 5 5.837 -7.900 -8.866 1026 H ALA 6 H ALA 6 10.231 -7.680 -8.901 1027 HA ALA 6 HA ALA 6 10.478 -10.632 -8.489 1028 1HB ALA 6 1HB ALA 6 12.314 -9.150 -9.876 1029 2HB ALA 6 2HB ALA 6 12.718 -10.605 -8.965 1030 3HB ALA 6 3HB ALA 6 12.948 -9.016 -8.235 1031 H GLU 7 H GLU 7 8.890 -9.103 -6.792 1032 HA GLU 7 HA GLU 7 8.626 -8.463 -4.539 1033 1HB GLU 7 1HB GLU 7 11.192 -10.079 -4.310 1034 2HB GLU 7 2HB GLU 7 10.103 -9.685 -2.982 1035 1HG GLU 7 1HG GLU 7 8.343 -11.015 -3.896 1036 2HG GLU 7 2HG GLU 7 9.178 -11.180 -5.441 1037 H VAL 8 H VAL 8 9.738 -6.446 -6.111 1038 HA VAL 8 HA VAL 8 12.270 -5.407 -5.268 1039 HB VAL 8 HB VAL 8 9.746 -3.924 -6.102 1040 1HG1 VAL 8 1HG1 VAL 8 12.540 -3.072 -5.539 1041 2HG1 VAL 8 2HG1 VAL 8 11.039 -2.156 -5.416 1042 3HG1 VAL 8 3HG1 VAL 8 11.795 -2.401 -6.991 1043 1HG2 VAL 8 1HG2 VAL 8 11.385 -3.914 -8.265 1044 2HG2 VAL 8 2HG2 VAL 8 10.167 -5.161 -7.989 1045 3HG2 VAL 8 3HG2 VAL 8 11.849 -5.455 -7.543 1046 H SER 9 H SER 9 9.001 -4.954 -3.845 1047 HA SER 9 HA SER 9 9.703 -3.052 -1.823 1048 1HB SER 9 1HB SER 9 7.412 -4.186 -2.566 1049 2HB SER 9 2HB SER 9 7.778 -5.285 -1.239 1050 HG SER 9 HG SER 9 6.543 -3.397 -0.638 1051 H SER 10 H SER 10 10.111 -6.614 -1.897 1052 HA SER 10 HA SER 10 10.829 -6.925 0.887 1053 1HB SER 10 1HB SER 10 11.190 -8.476 -1.657 1054 2HB SER 10 2HB SER 10 12.122 -8.971 -0.246 1055 HG SER 10 HG SER 10 10.252 -9.332 0.856 1056 H ILE 11 H ILE 11 12.932 -6.629 -2.042 1057 HA ILE 11 HA ILE 11 15.401 -6.546 -0.557 1058 HB ILE 11 HB ILE 11 15.234 -6.990 -2.992 1059 1HG1 ILE 11 1HG1 ILE 11 16.843 -4.462 -2.642 1060 2HG1 ILE 11 2HG1 ILE 11 17.310 -5.958 -1.833 1061 1HG2 ILE 11 1HG2 ILE 11 13.555 -5.529 -3.779 1062 2HG2 ILE 11 2HG2 ILE 11 15.040 -4.866 -4.455 1063 3HG2 ILE 11 3HG2 ILE 11 14.306 -4.118 -3.039 1064 1HD1 ILE 11 1HD1 ILE 11 16.663 -6.187 -4.725 1065 2HD1 ILE 11 2HD1 ILE 11 17.928 -6.981 -3.786 1066 3HD1 ILE 11 3HD1 ILE 11 18.145 -5.317 -4.326 1067 H LEU 12 H LEU 12 13.020 -3.988 -1.255 1068 HA LEU 12 HA LEU 12 14.824 -1.794 -0.544 1069 1HB LEU 12 1HB LEU 12 12.669 -1.740 -1.973 1070 2HB LEU 12 2HB LEU 12 11.797 -1.756 -0.439 1071 HG LEU 12 HG LEU 12 13.549 0.205 0.108 1072 1HD1 LEU 12 1HD1 LEU 12 13.409 -0.033 -2.871 1073 2HD1 LEU 12 2HD1 LEU 12 14.756 0.470 -1.850 1074 3HD1 LEU 12 3HD1 LEU 12 13.425 1.583 -2.166 1075 1HD2 LEU 12 1HD2 LEU 12 10.897 0.286 -1.326 1076 2HD2 LEU 12 2HD2 LEU 12 11.726 1.776 -0.880 1077 3HD2 LEU 12 3HD2 LEU 12 11.242 0.630 0.369 1078 H GLU 13 H GLU 13 12.332 -3.701 1.227 1079 HA GLU 13 HA GLU 13 12.531 -2.112 3.654 1080 1HB GLU 13 1HB GLU 13 11.334 -4.011 4.696 1081 2HB GLU 13 2HB GLU 13 10.611 -3.583 3.147 1082 1HG GLU 13 1HG GLU 13 11.434 -5.488 2.087 1083 2HG GLU 13 2HG GLU 13 12.738 -5.703 3.251 1084 H GLU 14 H GLU 14 14.497 -4.797 2.381 1085 HA GLU 14 HA GLU 14 15.786 -5.396 4.939 1086 1HB GLU 14 1HB GLU 14 15.632 -6.900 2.881 1087 2HB GLU 14 2HB GLU 14 16.857 -5.871 2.137 1088 1HG GLU 14 1HG GLU 14 18.053 -6.350 4.517 1089 2HG GLU 14 2HG GLU 14 17.127 -7.841 4.345 1090 H ARG 15 H ARG 15 16.567 -3.274 2.145 1091 HA ARG 15 HA ARG 15 19.191 -2.486 3.031 1092 1HB ARG 15 1HB ARG 15 18.220 -2.076 0.765 1093 2HB ARG 15 2HB ARG 15 17.135 -0.878 1.472 1094 1HG ARG 15 1HG ARG 15 18.991 0.512 2.141 1095 2HG ARG 15 2HG ARG 15 20.153 -0.735 1.689 1096 1HD ARG 15 1HD ARG 15 19.351 -0.550 -0.688 1097 2HD ARG 15 2HD ARG 15 18.346 0.825 -0.188 1098 HE ARG 15 HE ARG 15 20.480 1.924 0.589 1099 1HH1 ARG 15 1HH1 ARG 15 21.688 -0.968 -0.189 1100 2HH1 ARG 15 2HH1 ARG 15 22.739 -0.453 -1.466 1101 1HH2 ARG 15 1HH2 ARG 15 21.354 2.719 -1.684 1102 2HH2 ARG 15 2HH2 ARG 15 22.550 1.635 -2.312 1103 H ILE 16 H ILE 16 15.936 -1.235 3.892 1104 HA ILE 16 HA ILE 16 17.190 0.879 5.566 1105 HB ILE 16 HB ILE 16 14.902 1.708 5.817 1106 1HG1 ILE 16 1HG1 ILE 16 13.907 -0.595 4.129 1107 2HG1 ILE 16 2HG1 ILE 16 13.909 -0.688 5.888 1108 1HG2 ILE 16 1HG2 ILE 16 14.643 2.446 3.635 1109 2HG2 ILE 16 2HG2 ILE 16 14.997 0.862 2.946 1110 3HG2 ILE 16 3HG2 ILE 16 16.306 1.857 3.584 1111 1HD1 ILE 16 1HD1 ILE 16 12.701 1.684 4.483 1112 2HD1 ILE 16 2HD1 ILE 16 12.381 1.085 6.111 1113 3HD1 ILE 16 3HD1 ILE 16 11.771 0.202 4.711 1114 H LEU 17 H LEU 17 15.466 -2.226 5.988 1115 HA LEU 17 HA LEU 17 16.004 -1.979 8.928 1116 1HB LEU 17 1HB LEU 17 13.553 -1.774 7.795 1117 2HB LEU 17 2HB LEU 17 13.649 -3.527 7.975 1118 HG LEU 17 HG LEU 17 14.518 -1.911 10.315 1119 1HD1 LEU 17 1HD1 LEU 17 11.574 -2.326 9.768 1120 2HD1 LEU 17 2HD1 LEU 17 12.397 -0.821 9.360 1121 3HD1 LEU 17 3HD1 LEU 17 12.320 -1.357 11.039 1122 1HD2 LEU 17 1HD2 LEU 17 14.443 -4.437 10.186 1123 2HD2 LEU 17 2HD2 LEU 17 12.687 -4.317 10.075 1124 3HD2 LEU 17 3HD2 LEU 17 13.519 -3.752 11.523 1125 H GLY 18 H GLY 18 17.970 -3.326 8.507 1126 1HA GLY 18 1HA GLY 18 17.249 -6.201 8.148 1127 2HA GLY 18 2HA GLY 18 18.621 -5.520 7.273 1128 H ALA 19 H ALA 19 17.664 -7.006 10.213 1129 HA ALA 19 HA ALA 19 20.361 -6.407 11.374 1130 1HB ALA 19 1HB ALA 19 18.725 -6.639 13.559 1131 2HB ALA 19 2HB ALA 19 17.635 -5.883 12.397 1132 3HB ALA 19 3HB ALA 19 19.160 -5.101 12.815 1133 H ASP 20 H ASP 20 19.592 -8.792 9.879 1134 HA ASP 20 HA ASP 20 19.574 -10.820 12.095 1135 1HB ASP 20 1HB ASP 20 17.470 -10.614 10.717 1136 2HB ASP 20 2HB ASP 20 18.419 -11.066 9.300 1137 H THR 21 H THR 21 21.053 -12.604 11.813 1138 HA THR 21 HA THR 21 22.811 -12.481 9.388 1139 HB THR 21 HB THR 21 23.885 -11.324 11.273 1140 HG1 THR 21 HG1 THR 21 25.334 -12.438 10.092 1141 1HG2 THR 21 1HG2 THR 21 23.196 -12.019 13.321 1142 2HG2 THR 21 2HG2 THR 21 24.478 -13.220 13.166 1143 3HG2 THR 21 3HG2 THR 21 22.819 -13.643 12.746 1144 H SER 22 H SER 22 24.366 -14.634 9.614 1145 HA SER 22 HA SER 22 22.522 -16.914 10.268 1146 1HB SER 22 1HB SER 22 22.810 -16.579 7.869 1147 2HB SER 22 2HB SER 22 24.561 -16.519 8.054 1148 HG SER 22 HG SER 22 23.774 -18.587 7.384 1149 H VAL 23 H VAL 23 24.383 -15.843 12.222 1150 HA VAL 23 HA VAL 23 26.209 -18.192 12.475 1151 HB VAL 23 HB VAL 23 28.035 -16.614 13.099 1152 1HG1 VAL 23 1HG1 VAL 23 27.554 -17.409 10.700 1153 2HG1 VAL 23 2HG1 VAL 23 28.586 -15.990 10.877 1154 3HG1 VAL 23 3HG1 VAL 23 26.892 -15.798 10.425 1155 1HG2 VAL 23 1HG2 VAL 23 26.172 -14.435 12.111 1156 2HG2 VAL 23 2HG2 VAL 23 27.774 -14.234 12.820 1157 3HG2 VAL 23 3HG2 VAL 23 26.428 -14.780 13.821 1158 H ASP 24 H ASP 24 23.785 -17.923 13.905 1159 HA ASP 24 HA ASP 24 24.730 -17.088 16.632 1160 1HB ASP 24 1HB ASP 24 22.198 -16.740 15.083 1161 2HB ASP 24 2HB ASP 24 22.056 -16.963 16.826 1162 H LEU 25 H LEU 25 25.551 -19.405 16.828 1163 HA LEU 25 HA LEU 25 23.430 -21.136 17.932 1164 1HB LEU 25 1HB LEU 25 23.948 -22.982 16.354 1165 2HB LEU 25 2HB LEU 25 23.331 -21.564 15.508 1166 HG LEU 25 HG LEU 25 25.951 -20.982 15.405 1167 1HD1 LEU 25 1HD1 LEU 25 27.026 -22.773 16.376 1168 2HD1 LEU 25 2HD1 LEU 25 26.897 -23.397 14.732 1169 3HD1 LEU 25 3HD1 LEU 25 25.738 -23.904 15.960 1170 1HD2 LEU 25 1HD2 LEU 25 24.543 -22.946 13.570 1171 2HD2 LEU 25 2HD2 LEU 25 25.949 -21.971 13.145 1172 3HD2 LEU 25 3HD2 LEU 25 24.405 -21.190 13.483 Start of MODEL 13 1 1H PHE 1 1H PHE 1 -29.260 -0.909 -9.818 2 2H PHE 1 2H PHE 1 -28.268 -1.142 -8.458 3 3H PHE 1 3H PHE 1 -28.676 -2.458 -9.452 4 HA PHE 1 HA PHE 1 -27.357 -1.636 -11.247 5 1HB PHE 1 1HB PHE 1 -28.147 0.719 -10.683 6 2HB PHE 1 2HB PHE 1 -26.873 0.769 -9.465 7 HD1 PHE 1 HD1 PHE 1 -27.479 0.200 -13.108 8 HD2 PHE 1 HD2 PHE 1 -24.648 1.284 -10.065 9 HE1 PHE 1 HE1 PHE 1 -25.828 0.800 -14.858 10 HE2 PHE 1 HE2 PHE 1 -22.996 1.883 -11.815 11 HZ PHE 1 HZ PHE 1 -23.586 1.642 -14.212 12 H ALA 2 H ALA 2 -26.797 -3.534 -9.275 13 HA ALA 2 HA ALA 2 -23.989 -2.834 -8.471 14 1HB ALA 2 1HB ALA 2 -25.370 -2.850 -6.507 15 2HB ALA 2 2HB ALA 2 -24.514 -4.392 -6.509 16 3HB ALA 2 3HB ALA 2 -26.199 -4.318 -7.025 17 H LYS 3 H LYS 3 -23.398 -3.919 -10.602 18 HA LYS 3 HA LYS 3 -23.454 -6.905 -10.313 19 1HB LYS 3 1HB LYS 3 -25.052 -5.771 -12.010 20 2HB LYS 3 2HB LYS 3 -23.594 -5.416 -12.938 21 1HG LYS 3 1HG LYS 3 -23.097 -7.706 -13.255 22 2HG LYS 3 2HG LYS 3 -24.188 -8.209 -11.963 23 1HD LYS 3 1HD LYS 3 -26.082 -7.230 -13.376 24 2HD LYS 3 2HD LYS 3 -24.916 -7.141 -14.696 25 1HE LYS 3 1HE LYS 3 -25.204 -9.735 -13.205 26 2HE LYS 3 2HE LYS 3 -26.410 -9.305 -14.436 27 1HZ LYS 3 1HZ LYS 3 -24.514 -10.468 -15.420 28 2HZ LYS 3 2HZ LYS 3 -23.462 -9.272 -14.827 29 3HZ LYS 3 3HZ LYS 3 -24.627 -8.878 -16.000 30 H LEU 4 H LEU 4 -21.254 -7.236 -9.732 31 HA LEU 4 HA LEU 4 -19.229 -6.215 -11.692 32 1HB LEU 4 1HB LEU 4 -19.628 -5.215 -9.166 33 2HB LEU 4 2HB LEU 4 -18.409 -6.452 -8.859 34 HG LEU 4 HG LEU 4 -17.304 -5.360 -11.036 35 1HD1 LEU 4 1HD1 LEU 4 -17.826 -3.138 -11.418 36 2HD1 LEU 4 2HD1 LEU 4 -18.394 -2.879 -9.770 37 3HD1 LEU 4 3HD1 LEU 4 -19.411 -3.736 -10.929 38 1HD2 LEU 4 1HD2 LEU 4 -17.013 -3.795 -8.491 39 2HD2 LEU 4 2HD2 LEU 4 -15.761 -4.395 -9.581 40 3HD2 LEU 4 3HD2 LEU 4 -16.590 -5.507 -8.491 41 H VAL 5 H VAL 5 -16.968 -7.454 -10.574 42 HA VAL 5 HA VAL 5 -17.730 -10.359 -10.543 43 HB VAL 5 HB VAL 5 -15.352 -8.963 -11.824 44 1HG1 VAL 5 1HG1 VAL 5 -14.500 -11.070 -11.376 45 2HG1 VAL 5 2HG1 VAL 5 -15.307 -11.396 -12.910 46 3HG1 VAL 5 3HG1 VAL 5 -16.091 -11.831 -11.392 47 1HG2 VAL 5 1HG2 VAL 5 -17.884 -10.189 -12.953 48 2HG2 VAL 5 2HG2 VAL 5 -16.470 -9.824 -13.941 49 3HG2 VAL 5 3HG2 VAL 5 -17.332 -8.522 -13.121 50 H ARG 6 H ARG 6 -17.596 -10.344 -8.146 51 HA ARG 6 HA ARG 6 -14.786 -10.028 -7.129 52 1HB ARG 6 1HB ARG 6 -17.437 -9.074 -6.238 53 2HB ARG 6 2HB ARG 6 -16.450 -9.771 -4.953 54 1HG ARG 6 1HG ARG 6 -14.573 -8.261 -6.162 55 2HG ARG 6 2HG ARG 6 -16.003 -7.308 -6.562 56 1HD ARG 6 1HD ARG 6 -16.331 -6.661 -4.388 57 2HD ARG 6 2HD ARG 6 -15.851 -8.244 -3.747 58 HE ARG 6 HE ARG 6 -13.552 -7.556 -3.847 59 1HH1 ARG 6 1HH1 ARG 6 -14.487 -5.003 -2.738 60 2HH1 ARG 6 2HH1 ARG 6 -13.884 -3.836 -3.867 61 1HH2 ARG 6 1HH2 ARG 6 -13.309 -6.164 -6.372 62 2HH2 ARG 6 2HH2 ARG 6 -13.217 -4.493 -5.925 63 HA PRO 7 HA PRO 7 -16.143 -14.416 -6.522 64 1HB PRO 7 1HB PRO 7 -13.749 -15.557 -7.193 65 2HB PRO 7 2HB PRO 7 -14.992 -15.148 -8.391 66 1HG PRO 7 1HG PRO 7 -12.502 -13.689 -7.674 67 2HG PRO 7 2HG PRO 7 -13.257 -13.924 -9.258 68 1HD PRO 7 1HD PRO 7 -13.451 -11.614 -7.814 69 2HD PRO 7 2HD PRO 7 -14.672 -12.149 -8.990 70 HA PRO 8 HA PRO 8 -14.253 -14.702 -2.542 71 1HB PRO 8 1HB PRO 8 -14.126 -17.403 -2.112 72 2HB PRO 8 2HB PRO 8 -15.646 -16.488 -2.066 73 1HG PRO 8 1HG PRO 8 -14.528 -18.194 -4.232 74 2HG PRO 8 2HG PRO 8 -16.203 -18.012 -3.688 75 1HD PRO 8 1HD PRO 8 -15.201 -16.810 -5.925 76 2HD PRO 8 2HD PRO 8 -16.559 -16.159 -4.979 77 H VAL 9 H VAL 9 -12.063 -14.095 -2.440 78 HA VAL 9 HA VAL 9 -10.039 -16.195 -3.038 79 HB VAL 9 HB VAL 9 -8.776 -14.567 -4.437 80 1HG1 VAL 9 1HG1 VAL 9 -10.482 -16.193 -5.387 81 2HG1 VAL 9 2HG1 VAL 9 -10.140 -14.789 -6.398 82 3HG1 VAL 9 3HG1 VAL 9 -11.619 -14.846 -5.437 83 1HG2 VAL 9 1HG2 VAL 9 -9.617 -12.478 -3.489 84 2HG2 VAL 9 2HG2 VAL 9 -11.254 -12.859 -4.026 85 3HG2 VAL 9 3HG2 VAL 9 -9.993 -12.519 -5.211 86 H GLN 10 H GLN 10 -8.421 -16.153 -1.459 87 HA GLN 10 HA GLN 10 -7.907 -13.588 -0.016 88 1HB GLN 10 1HB GLN 10 -8.961 -16.196 1.036 89 2HB GLN 10 2HB GLN 10 -7.921 -15.219 2.074 90 1HG GLN 10 1HG GLN 10 -9.411 -13.325 1.902 91 2HG GLN 10 2HG GLN 10 -10.383 -14.140 0.677 92 1HE2 GLN 10 1HE2 GLN 10 -10.818 -13.246 3.732 93 2HE2 GLN 10 2HE2 GLN 10 -11.597 -14.610 4.375 94 H ILE 11 H ILE 11 -5.687 -13.340 0.444 95 HA ILE 11 HA ILE 11 -3.386 -13.832 0.484 96 HB ILE 11 HB ILE 11 -4.433 -16.612 1.109 97 1HG1 ILE 11 1HG1 ILE 11 -3.651 -15.332 3.478 98 2HG1 ILE 11 2HG1 ILE 11 -4.525 -14.083 2.593 99 1HG2 ILE 11 1HG2 ILE 11 -1.860 -15.282 1.955 100 2HG2 ILE 11 2HG2 ILE 11 -1.991 -16.281 0.508 101 3HG2 ILE 11 3HG2 ILE 11 -2.294 -16.987 2.097 102 1HD1 ILE 11 1HD1 ILE 11 -5.533 -16.561 3.829 103 2HD1 ILE 11 2HD1 ILE 11 -6.142 -16.267 2.200 104 3HD1 ILE 11 3HD1 ILE 11 -6.380 -15.059 3.462 105 H TYR 12 H TYR 12 -2.447 -13.702 -1.567 106 HA TYR 12 HA TYR 12 -2.872 -16.047 -3.399 107 1HB TYR 12 1HB TYR 12 -2.088 -13.357 -4.475 108 2HB TYR 12 2HB TYR 12 -3.140 -14.574 -5.185 109 HD1 TYR 12 HD1 TYR 12 -3.338 -11.362 -4.352 110 HD2 TYR 12 HD2 TYR 12 -5.127 -15.051 -3.078 111 HE1 TYR 12 HE1 TYR 12 -5.295 -10.120 -3.475 112 HE2 TYR 12 HE2 TYR 12 -7.057 -13.818 -2.190 113 HH TYR 12 HH TYR 12 -7.149 -10.788 -1.462 114 H GLY 13 H GLY 13 -0.521 -13.314 -2.981 115 1HA GLY 13 1HA GLY 13 1.738 -14.728 -2.270 116 2HA GLY 13 2HA GLY 13 1.650 -14.985 -4.011 117 H ILE 14 H ILE 14 2.020 -13.163 -5.432 118 HA ILE 14 HA ILE 14 3.927 -11.243 -4.580 119 HB ILE 14 HB ILE 14 3.441 -11.830 -6.948 120 1HG1 ILE 14 1HG1 ILE 14 3.593 -9.519 -7.864 121 2HG1 ILE 14 2HG1 ILE 14 3.143 -8.884 -6.283 122 1HG2 ILE 14 1HG2 ILE 14 1.495 -11.087 -8.083 123 2HG2 ILE 14 2HG2 ILE 14 1.053 -9.988 -6.777 124 3HG2 ILE 14 3HG2 ILE 14 0.890 -11.728 -6.556 125 1HD1 ILE 14 1HD1 ILE 14 5.397 -10.805 -6.274 126 2HD1 ILE 14 2HD1 ILE 14 5.200 -9.294 -5.385 127 3HD1 ILE 14 3HD1 ILE 14 5.721 -9.265 -7.070 128 H GLU 15 H GLU 15 0.352 -10.961 -4.598 129 HA GLU 15 HA GLU 15 0.380 -8.146 -3.798 130 1HB GLU 15 1HB GLU 15 -1.680 -10.356 -3.888 131 2HB GLU 15 2HB GLU 15 -2.070 -8.790 -3.174 132 1HG GLU 15 1HG GLU 15 -1.639 -7.638 -5.222 133 2HG GLU 15 2HG GLU 15 -0.872 -9.056 -5.938 134 H GLY 16 H GLY 16 0.212 -11.287 -2.049 135 1HA GLY 16 1HA GLY 16 -0.254 -10.109 0.544 136 2HA GLY 16 2HA GLY 16 0.381 -11.732 0.249 137 H ARG 17 H ARG 17 2.711 -11.057 -1.258 138 HA ARG 17 HA ARG 17 4.582 -10.420 0.847 139 1HB ARG 17 1HB ARG 17 4.774 -10.461 -2.182 140 2HB ARG 17 2HB ARG 17 6.172 -10.153 -1.151 141 1HG ARG 17 1HG ARG 17 5.873 -12.306 -0.038 142 2HG ARG 17 2HG ARG 17 4.406 -12.611 -0.968 143 1HD ARG 17 1HD ARG 17 5.890 -12.339 -3.068 144 2HD ARG 17 2HD ARG 17 7.262 -12.527 -1.956 145 HE ARG 17 HE ARG 17 5.134 -14.575 -2.401 146 1HH1 ARG 17 1HH1 ARG 17 7.946 -15.147 -3.186 147 2HH1 ARG 17 2HH1 ARG 17 8.546 -16.024 -1.818 148 1HH2 ARG 17 1HH2 ARG 17 5.982 -15.015 0.288 149 2HH2 ARG 17 2HH2 ARG 17 7.434 -15.949 0.149 150 H TYR 18 H TYR 18 2.808 -8.312 -1.411 151 HA TYR 18 HA TYR 18 4.513 -6.003 -1.206 152 1HB TYR 18 1HB TYR 18 1.640 -6.557 -1.863 153 2HB TYR 18 2HB TYR 18 2.061 -4.892 -1.482 154 HD1 TYR 18 HD1 TYR 18 1.988 -3.774 -3.541 155 HD2 TYR 18 HD2 TYR 18 4.109 -7.500 -3.237 156 HE1 TYR 18 HE1 TYR 18 2.850 -3.475 -5.845 157 HE2 TYR 18 HE2 TYR 18 4.970 -7.197 -5.542 158 HH TYR 18 HH TYR 18 3.731 -5.333 -7.736 159 H ALA 19 H ALA 19 1.770 -7.114 0.832 160 HA ALA 19 HA ALA 19 2.044 -4.823 2.662 161 1HB ALA 19 1HB ALA 19 -0.130 -5.688 2.646 162 2HB ALA 19 2HB ALA 19 0.532 -6.505 4.063 163 3HB ALA 19 3HB ALA 19 0.428 -7.356 2.521 164 H THR 20 H THR 20 3.037 -8.278 2.668 165 HA THR 20 HA THR 20 4.188 -8.084 5.337 166 HB THR 20 HB THR 20 5.374 -10.276 4.214 167 HG1 THR 20 HG1 THR 20 3.899 -11.124 2.747 168 1HG2 THR 20 1HG2 THR 20 4.046 -10.379 6.212 169 2HG2 THR 20 2HG2 THR 20 3.307 -11.491 5.059 170 3HG2 THR 20 3HG2 THR 20 2.589 -9.901 5.338 171 H ALA 21 H ALA 21 5.426 -7.345 2.099 172 HA ALA 21 HA ALA 21 8.221 -7.391 3.039 173 1HB ALA 21 1HB ALA 21 7.670 -7.869 0.689 174 2HB ALA 21 2HB ALA 21 8.649 -6.405 0.774 175 3HB ALA 21 3HB ALA 21 6.908 -6.287 0.526 176 H LEU 22 H LEU 22 5.572 -5.070 3.085 177 HA LEU 22 HA LEU 22 7.513 -2.844 3.614 178 1HB LEU 22 1HB LEU 22 5.632 -2.472 2.017 179 2HB LEU 22 2HB LEU 22 4.487 -2.860 3.301 180 HG LEU 22 HG LEU 22 5.969 -0.965 4.558 181 1HD1 LEU 22 1HD1 LEU 22 5.717 0.491 2.029 182 2HD1 LEU 22 2HD1 LEU 22 6.919 -0.797 1.955 183 3HD1 LEU 22 3HD1 LEU 22 7.048 0.461 3.183 184 1HD2 LEU 22 1HD2 LEU 22 3.468 -0.928 2.940 185 2HD2 LEU 22 2HD2 LEU 22 4.119 0.633 3.440 186 3HD2 LEU 22 3HD2 LEU 22 3.706 -0.580 4.652 187 H TYR 23 H TYR 23 4.749 -4.598 5.101 188 HA TYR 23 HA TYR 23 5.137 -3.183 7.619 189 1HB TYR 23 1HB TYR 23 3.046 -3.958 7.963 190 2HB TYR 23 2HB TYR 23 3.118 -4.726 6.390 191 HD1 TYR 23 HD1 TYR 23 2.799 -6.999 6.238 192 HD2 TYR 23 HD2 TYR 23 4.177 -5.315 9.929 193 HE1 TYR 23 HE1 TYR 23 2.701 -9.208 7.273 194 HE2 TYR 23 HE2 TYR 23 4.050 -7.530 10.997 195 HH TYR 23 HH TYR 23 4.186 -10.155 9.798 196 H SER 24 H SER 24 6.748 -5.917 6.083 197 HA SER 24 HA SER 24 7.499 -7.511 8.317 198 1HB SER 24 1HB SER 24 8.369 -8.317 6.320 199 2HB SER 24 2HB SER 24 8.757 -6.706 5.723 200 HG SER 24 HG SER 24 10.149 -8.307 7.594 201 H ALA 25 H ALA 25 8.739 -4.317 7.269 202 HA ALA 25 HA ALA 25 10.710 -4.156 9.452 203 1HB ALA 25 1HB ALA 25 11.271 -2.814 7.596 204 2HB ALA 25 2HB ALA 25 10.518 -1.632 8.666 205 3HB ALA 25 3HB ALA 25 9.599 -2.322 7.329 206 H ALA 26 H ALA 26 7.372 -2.971 8.772 207 HA ALA 26 HA ALA 26 7.019 -1.402 11.152 208 1HB ALA 26 1HB ALA 26 5.461 -1.461 9.206 209 2HB ALA 26 2HB ALA 26 4.608 -1.767 10.718 210 3HB ALA 26 3HB ALA 26 4.997 -3.106 9.640 211 H SER 27 H SER 27 6.646 -4.935 10.584 212 HA SER 27 HA SER 27 5.432 -5.656 13.063 213 1HB SER 27 1HB SER 27 6.039 -7.078 10.968 214 2HB SER 27 2HB SER 27 7.615 -7.277 11.727 215 HG SER 27 HG SER 27 6.465 -8.929 12.528 216 H LYS 28 H LYS 28 8.904 -5.164 12.255 217 HA LYS 28 HA LYS 28 9.944 -5.914 14.850 218 1HB LYS 28 1HB LYS 28 10.936 -4.104 12.626 219 2HB LYS 28 2HB LYS 28 11.896 -4.430 14.070 220 1HG LYS 28 1HG LYS 28 11.296 -6.954 13.457 221 2HG LYS 28 2HG LYS 28 11.142 -6.270 11.839 222 1HD LYS 28 1HD LYS 28 13.543 -5.449 13.389 223 2HD LYS 28 2HD LYS 28 13.500 -7.126 12.842 224 1HE LYS 28 1HE LYS 28 14.380 -6.207 10.919 225 2HE LYS 28 2HE LYS 28 12.675 -5.852 10.573 226 1HZ LYS 28 1HZ LYS 28 14.074 -3.851 10.453 227 2HZ LYS 28 2HZ LYS 28 14.516 -4.068 12.079 228 3HZ LYS 28 3HZ LYS 28 12.902 -3.733 11.673 229 H GLN 29 H GLN 29 8.772 -2.786 13.521 230 HA GLN 29 HA GLN 29 9.333 -1.423 16.098 231 1HB GLN 29 1HB GLN 29 8.135 -0.532 13.459 232 2HB GLN 29 2HB GLN 29 8.392 0.546 14.830 233 1HG GLN 29 1HG GLN 29 10.844 -0.394 14.758 234 2HG GLN 29 2HG GLN 29 10.427 -0.826 13.099 235 1HE2 GLN 29 1HE2 GLN 29 10.776 0.833 11.569 236 2HE2 GLN 29 2HE2 GLN 29 10.857 2.485 11.952 237 H ASN 30 H ASN 30 6.756 -3.375 14.978 238 HA ASN 30 HA ASN 30 4.631 -3.770 15.868 239 1HB ASN 30 1HB ASN 30 6.040 -2.986 17.989 240 2HB ASN 30 2HB ASN 30 5.013 -1.557 17.863 241 1HD2 ASN 30 1HD2 ASN 30 2.560 -2.002 17.851 242 2HD2 ASN 30 2HD2 ASN 30 2.000 -3.361 18.702 243 H LYS 31 H LYS 31 4.964 -2.023 13.642 244 HA LYS 31 HA LYS 31 3.000 0.160 14.212 245 1HB LYS 31 1HB LYS 31 4.995 -0.270 11.970 246 2HB LYS 31 2HB LYS 31 3.930 1.128 12.114 247 1HG LYS 31 1HG LYS 31 5.058 1.088 14.602 248 2HG LYS 31 2HG LYS 31 6.387 0.464 13.625 249 1HD LYS 31 1HD LYS 31 6.814 2.693 13.315 250 2HD LYS 31 2HD LYS 31 5.598 2.515 12.049 251 1HE LYS 31 1HE LYS 31 4.657 4.299 13.194 252 2HE LYS 31 2HE LYS 31 3.962 2.978 14.154 253 1HZ LYS 31 1HZ LYS 31 5.862 3.075 15.629 254 2HZ LYS 31 2HZ LYS 31 5.112 4.598 15.561 255 3HZ LYS 31 3HZ LYS 31 6.556 4.320 14.710 256 H LEU 32 H LEU 32 2.668 -2.981 13.247 257 HA LEU 32 HA LEU 32 1.453 -3.062 10.706 258 1HB LEU 32 1HB LEU 32 1.058 -4.481 13.309 259 2HB LEU 32 2HB LEU 32 -0.133 -4.755 12.035 260 HG LEU 32 HG LEU 32 2.619 -4.803 11.027 261 1HD1 LEU 32 1HD1 LEU 32 3.627 -6.207 12.425 262 2HD1 LEU 32 2HD1 LEU 32 2.271 -7.334 12.354 263 3HD1 LEU 32 3HD1 LEU 32 2.271 -6.028 13.539 264 1HD2 LEU 32 1HD2 LEU 32 1.379 -7.270 10.583 265 2HD2 LEU 32 2HD2 LEU 32 1.381 -5.890 9.486 266 3HD2 LEU 32 3HD2 LEU 32 0.043 -6.120 10.616 267 H GLU 33 H GLU 33 0.101 -1.728 13.744 268 HA GLU 33 HA GLU 33 -2.574 -1.294 12.607 269 1HB GLU 33 1HB GLU 33 -2.093 -1.427 15.067 270 2HB GLU 33 2HB GLU 33 -1.156 0.063 14.942 271 1HG GLU 33 1HG GLU 33 -3.146 1.281 14.190 272 2HG GLU 33 2HG GLU 33 -4.093 -0.206 14.235 273 H GLN 34 H GLN 34 0.379 0.696 13.104 274 HA GLN 34 HA GLN 34 -0.581 3.154 11.978 275 1HB GLN 34 1HB GLN 34 1.622 2.595 13.220 276 2HB GLN 34 2HB GLN 34 2.225 2.091 11.643 277 1HG GLN 34 1HG GLN 34 2.848 4.303 11.552 278 2HG GLN 34 2HG GLN 34 1.205 4.462 10.935 279 1HE2 GLN 34 1HE2 GLN 34 1.334 6.764 11.875 280 2HE2 GLN 34 2HE2 GLN 34 1.017 6.960 13.531 281 H VAL 35 H VAL 35 0.394 0.131 10.387 282 HA VAL 35 HA VAL 35 0.336 1.524 7.745 283 HB VAL 35 HB VAL 35 1.040 -1.385 8.085 284 1HG1 VAL 35 1HG1 VAL 35 1.677 0.885 6.264 285 2HG1 VAL 35 2HG1 VAL 35 1.295 -0.794 5.882 286 3HG1 VAL 35 3HG1 VAL 35 2.904 -0.366 6.465 287 1HG2 VAL 35 1HG2 VAL 35 2.554 0.869 9.323 288 2HG2 VAL 35 2HG2 VAL 35 3.513 -0.276 8.386 289 3HG2 VAL 35 3HG2 VAL 35 2.549 -0.844 9.746 290 H GLU 36 H GLU 36 -1.078 -1.357 9.401 291 HA GLU 36 HA GLU 36 -2.795 -2.192 7.278 292 1HB GLU 36 1HB GLU 36 -2.244 -3.291 9.565 293 2HB GLU 36 2HB GLU 36 -3.566 -2.313 10.198 294 1HG GLU 36 1HG GLU 36 -4.938 -3.283 8.216 295 2HG GLU 36 2HG GLU 36 -3.669 -4.507 8.135 296 H LYS 37 H LYS 37 -3.262 0.393 9.717 297 HA LYS 37 HA LYS 37 -6.089 0.764 9.062 298 1HB LYS 37 1HB LYS 37 -4.020 2.308 10.632 299 2HB LYS 37 2HB LYS 37 -5.643 2.952 10.387 300 1HG LYS 37 1HG LYS 37 -6.429 0.601 11.222 301 2HG LYS 37 2HG LYS 37 -4.800 0.485 11.888 302 1HD LYS 37 1HD LYS 37 -5.139 2.218 13.391 303 2HD LYS 37 2HD LYS 37 -6.372 2.983 12.388 304 1HE LYS 37 1HE LYS 37 -7.867 0.976 12.891 305 2HE LYS 37 2HE LYS 37 -6.672 0.515 14.121 306 1HZ LYS 37 1HZ LYS 37 -8.396 1.967 15.045 307 2HZ LYS 37 2HZ LYS 37 -7.988 3.174 13.921 308 3HZ LYS 37 3HZ LYS 37 -6.867 2.700 15.107 309 H GLU 38 H GLU 38 -3.107 2.666 8.220 310 HA GLU 38 HA GLU 38 -4.604 4.559 6.600 311 1HB GLU 38 1HB GLU 38 -1.701 3.712 6.737 312 2HB GLU 38 2HB GLU 38 -2.264 4.948 5.621 313 1HG GLU 38 1HG GLU 38 -2.588 5.020 8.635 314 2HG GLU 38 2HG GLU 38 -1.437 5.972 7.705 315 H LEU 39 H LEU 39 -3.011 1.431 5.856 316 HA LEU 39 HA LEU 39 -3.220 1.516 3.005 317 1HB LEU 39 1HB LEU 39 -3.036 -0.569 5.118 318 2HB LEU 39 2HB LEU 39 -3.720 -1.115 3.589 319 HG LEU 39 HG LEU 39 -1.747 -0.061 2.425 320 1HD1 LEU 39 1HD1 LEU 39 0.098 0.739 3.643 321 2HD1 LEU 39 2HD1 LEU 39 -0.420 -0.055 5.130 322 3HD1 LEU 39 3HD1 LEU 39 -1.274 1.376 4.549 323 1HD2 LEU 39 1HD2 LEU 39 -0.611 -2.020 4.366 324 2HD2 LEU 39 2HD2 LEU 39 -0.557 -2.025 2.603 325 3HD2 LEU 39 3HD2 LEU 39 -2.022 -2.538 3.442 326 H LEU 40 H LEU 40 -5.680 0.649 5.483 327 HA LEU 40 HA LEU 40 -7.722 -0.267 3.681 328 1HB LEU 40 1HB LEU 40 -7.667 -0.372 6.232 329 2HB LEU 40 2HB LEU 40 -8.159 1.323 6.229 330 HG LEU 40 HG LEU 40 -10.041 0.448 4.591 331 1HD1 LEU 40 1HD1 LEU 40 -8.938 -1.878 4.657 332 2HD1 LEU 40 2HD1 LEU 40 -10.684 -1.817 4.905 333 3HD1 LEU 40 3HD1 LEU 40 -9.604 -2.016 6.285 334 1HD2 LEU 40 1HD2 LEU 40 -9.862 0.337 7.585 335 2HD2 LEU 40 2HD2 LEU 40 -11.326 -0.253 6.800 336 3HD2 LEU 40 3HD2 LEU 40 -10.810 1.417 6.563 337 H ARG 41 H ARG 41 -6.810 3.056 4.685 338 HA ARG 41 HA ARG 41 -9.051 4.461 3.603 339 1HB ARG 41 1HB ARG 41 -6.942 5.239 4.985 340 2HB ARG 41 2HB ARG 41 -6.243 5.535 3.393 341 1HG ARG 41 1HG ARG 41 -7.259 7.594 3.956 342 2HG ARG 41 2HG ARG 41 -8.431 6.819 2.888 343 1HD ARG 41 1HD ARG 41 -9.871 7.355 4.616 344 2HD ARG 41 2HD ARG 41 -9.261 5.823 5.275 345 HE ARG 41 HE ARG 41 -7.488 7.230 6.440 346 1HH1 ARG 41 1HH1 ARG 41 -9.085 9.531 4.795 347 2HH1 ARG 41 2HH1 ARG 41 -9.674 10.422 6.160 348 1HH2 ARG 41 1HH2 ARG 41 -8.839 7.965 8.460 349 2HH2 ARG 41 2HH2 ARG 41 -9.534 9.535 8.234 350 H VAL 42 H VAL 42 -6.041 3.332 1.988 351 HA VAL 42 HA VAL 42 -6.546 4.591 -0.559 352 HB VAL 42 HB VAL 42 -5.110 1.985 0.087 353 1HG1 VAL 42 1HG1 VAL 42 -4.277 1.970 -2.052 354 2HG1 VAL 42 2HG1 VAL 42 -4.286 3.729 -2.178 355 3HG1 VAL 42 3HG1 VAL 42 -5.781 2.824 -2.398 356 1HG2 VAL 42 1HG2 VAL 42 -4.331 4.887 0.197 357 2HG2 VAL 42 2HG2 VAL 42 -3.109 3.674 -0.186 358 3HG2 VAL 42 3HG2 VAL 42 -3.978 3.596 1.347 359 H GLY 43 H GLY 43 -7.594 1.422 0.780 360 1HA GLY 43 1HA GLY 43 -8.817 0.463 -1.630 361 2HA GLY 43 2HA GLY 43 -9.207 -0.087 0.002 362 H GLN 44 H GLN 44 -10.151 2.269 1.191 363 HA GLN 44 HA GLN 44 -12.869 2.413 0.302 364 1HB GLN 44 1HB GLN 44 -11.596 3.237 2.495 365 2HB GLN 44 2HB GLN 44 -11.571 4.773 1.630 366 1HG GLN 44 1HG GLN 44 -14.103 4.334 1.231 367 2HG GLN 44 2HG GLN 44 -13.951 3.169 2.547 368 1HE2 GLN 44 1HE2 GLN 44 -13.994 4.012 4.691 369 2HE2 GLN 44 2HE2 GLN 44 -13.910 5.670 5.048 370 H ILE 45 H ILE 45 -10.050 4.470 -0.541 371 HA ILE 45 HA ILE 45 -11.464 6.472 -2.049 372 HB ILE 45 HB ILE 45 -8.663 5.295 -2.276 373 1HG1 ILE 45 1HG1 ILE 45 -9.327 8.034 -1.253 374 2HG1 ILE 45 2HG1 ILE 45 -9.631 6.646 -0.208 375 1HG2 ILE 45 1HG2 ILE 45 -10.030 7.394 -3.885 376 2HG2 ILE 45 2HG2 ILE 45 -8.677 6.351 -4.317 377 3HG2 ILE 45 3HG2 ILE 45 -8.406 7.783 -3.325 378 1HD1 ILE 45 1HD1 ILE 45 -7.414 6.254 0.123 379 2HD1 ILE 45 2HD1 ILE 45 -7.219 7.926 -0.399 380 3HD1 ILE 45 3HD1 ILE 45 -7.001 6.613 -1.554 381 H LEU 46 H LEU 46 -9.852 3.447 -3.182 382 HA LEU 46 HA LEU 46 -10.643 3.655 -5.923 383 1HB LEU 46 1HB LEU 46 -9.853 1.452 -4.050 384 2HB LEU 46 2HB LEU 46 -10.538 0.992 -5.605 385 HG LEU 46 HG LEU 46 -8.094 1.118 -5.720 386 1HD1 LEU 46 1HD1 LEU 46 -9.145 3.503 -7.227 387 2HD1 LEU 46 2HD1 LEU 46 -9.671 1.870 -7.632 388 3HD1 LEU 46 3HD1 LEU 46 -7.966 2.302 -7.752 389 1HD2 LEU 46 1HD2 LEU 46 -6.985 3.345 -5.507 390 2HD2 LEU 46 2HD2 LEU 46 -7.677 2.779 -3.987 391 3HD2 LEU 46 3HD2 LEU 46 -8.510 4.014 -4.930 392 H LYS 47 H LYS 47 -12.379 2.229 -3.133 393 HA LYS 47 HA LYS 47 -14.578 1.185 -4.742 394 1HB LYS 47 1HB LYS 47 -14.289 1.819 -1.784 395 2HB LYS 47 2HB LYS 47 -15.676 0.978 -2.477 396 1HG LYS 47 1HG LYS 47 -13.987 -0.678 -3.462 397 2HG LYS 47 2HG LYS 47 -12.800 0.056 -2.383 398 1HD LYS 47 1HD LYS 47 -14.802 -0.349 -0.618 399 2HD LYS 47 2HD LYS 47 -15.130 -1.673 -1.737 400 1HE LYS 47 1HE LYS 47 -13.010 -2.667 -1.372 401 2HE LYS 47 2HE LYS 47 -12.343 -1.180 -0.668 402 1HZ LYS 47 1HZ LYS 47 -14.023 -1.366 1.108 403 2HZ LYS 47 2HZ LYS 47 -12.937 -2.674 1.102 404 3HZ LYS 47 3HZ LYS 47 -14.506 -2.866 0.478 405 H GLU 48 H GLU 48 -13.952 4.271 -3.036 406 HA GLU 48 HA GLU 48 -16.570 5.330 -3.070 407 1HB GLU 48 1HB GLU 48 -13.800 6.441 -3.109 408 2HB GLU 48 2HB GLU 48 -15.116 7.560 -3.463 409 1HG GLU 48 1HG GLU 48 -15.163 5.729 -1.057 410 2HG GLU 48 2HG GLU 48 -14.455 7.344 -0.998 411 HA PRO 49 HA PRO 49 -17.293 5.740 -7.439 412 1HB PRO 49 1HB PRO 49 -19.398 7.488 -7.383 413 2HB PRO 49 2HB PRO 49 -19.560 5.769 -6.970 414 1HG PRO 49 1HG PRO 49 -19.347 8.134 -5.178 415 2HG PRO 49 2HG PRO 49 -20.342 6.680 -5.015 416 1HD PRO 49 1HD PRO 49 -18.025 7.079 -3.637 417 2HD PRO 49 2HD PRO 49 -18.650 5.470 -4.062 418 H LYS 50 H LYS 50 -17.286 8.760 -5.468 419 HA LYS 50 HA LYS 50 -16.762 10.624 -7.566 420 1HB LYS 50 1HB LYS 50 -17.294 11.156 -5.169 421 2HB LYS 50 2HB LYS 50 -15.656 10.667 -4.734 422 1HG LYS 50 1HG LYS 50 -15.030 12.387 -6.681 423 2HG LYS 50 2HG LYS 50 -16.581 13.088 -6.215 424 1HD LYS 50 1HD LYS 50 -15.752 13.008 -3.807 425 2HD LYS 50 2HD LYS 50 -14.158 12.631 -4.461 426 1HE LYS 50 1HE LYS 50 -14.814 14.786 -6.000 427 2HE LYS 50 2HE LYS 50 -15.634 15.200 -4.481 428 1HZ LYS 50 1HZ LYS 50 -13.634 14.824 -3.267 429 2HZ LYS 50 2HZ LYS 50 -13.250 15.867 -4.552 430 3HZ LYS 50 3HZ LYS 50 -12.835 14.221 -4.635 431 H MET 51 H MET 51 -14.511 8.432 -5.849 432 HA MET 51 HA MET 51 -12.141 9.630 -7.149 433 1HB MET 51 1HB MET 51 -12.481 7.084 -5.540 434 2HB MET 51 2HB MET 51 -10.949 7.854 -5.931 435 1HG MET 51 1HG MET 51 -13.165 9.142 -4.314 436 2HG MET 51 2HG MET 51 -11.727 8.391 -3.627 437 1HE MET 51 1HE MET 51 -9.448 8.871 -5.135 438 2HE MET 51 2HE MET 51 -9.370 9.521 -3.500 439 3HE MET 51 3HE MET 51 -8.809 10.496 -4.855 440 H ALA 52 H ALA 52 -14.272 6.804 -7.673 441 HA ALA 52 HA ALA 52 -12.690 5.220 -9.392 442 1HB ALA 52 1HB ALA 52 -14.721 4.236 -10.029 443 2HB ALA 52 2HB ALA 52 -15.566 5.783 -10.077 444 3HB ALA 52 3HB ALA 52 -15.189 5.033 -8.526 445 H ALA 53 H ALA 53 -14.424 8.255 -10.161 446 HA ALA 53 HA ALA 53 -14.173 8.220 -13.003 447 1HB ALA 53 1HB ALA 53 -13.723 10.743 -11.425 448 2HB ALA 53 2HB ALA 53 -15.276 9.917 -11.305 449 3HB ALA 53 3HB ALA 53 -14.706 10.497 -12.869 450 H SER 54 H SER 54 -11.673 8.822 -10.529 451 HA SER 54 HA SER 54 -9.749 9.625 -12.679 452 1HB SER 54 1HB SER 54 -10.216 10.833 -10.370 453 2HB SER 54 2HB SER 54 -9.158 9.579 -9.726 454 HG SER 54 HG SER 54 -8.204 11.659 -10.537 455 H LEU 55 H LEU 55 -9.940 7.386 -9.844 456 HA LEU 55 HA LEU 55 -7.511 5.969 -10.421 457 1HB LEU 55 1HB LEU 55 -10.084 5.166 -9.031 458 2HB LEU 55 2HB LEU 55 -8.648 4.140 -9.050 459 HG LEU 55 HG LEU 55 -8.142 6.955 -8.291 460 1HD1 LEU 55 1HD1 LEU 55 -9.191 6.943 -6.198 461 2HD1 LEU 55 2HD1 LEU 55 -9.427 5.197 -6.218 462 3HD1 LEU 55 3HD1 LEU 55 -10.419 6.231 -7.243 463 1HD2 LEU 55 1HD2 LEU 55 -7.116 5.347 -6.335 464 2HD2 LEU 55 2HD2 LEU 55 -6.275 5.722 -7.838 465 3HD2 LEU 55 3HD2 LEU 55 -7.181 4.218 -7.689 466 H LEU 56 H LEU 56 -10.811 5.542 -11.749 467 HA LEU 56 HA LEU 56 -9.836 3.190 -13.322 468 1HB LEU 56 1HB LEU 56 -11.903 2.985 -11.987 469 2HB LEU 56 2HB LEU 56 -12.606 4.349 -12.852 470 HG LEU 56 HG LEU 56 -11.595 2.270 -14.662 471 1HD1 LEU 56 1HD1 LEU 56 -13.066 0.510 -14.130 472 2HD1 LEU 56 2HD1 LEU 56 -14.042 1.524 -13.067 473 3HD1 LEU 56 3HD1 LEU 56 -12.438 1.000 -12.556 474 1HD2 LEU 56 1HD2 LEU 56 -13.259 4.318 -14.951 475 2HD2 LEU 56 2HD2 LEU 56 -14.460 3.136 -14.429 476 3HD2 LEU 56 3HD2 LEU 56 -13.500 2.835 -15.876 477 H ASN 57 H ASN 57 -9.372 6.308 -13.915 478 HA ASN 57 HA ASN 57 -10.735 6.425 -16.559 479 1HB ASN 57 1HB ASN 57 -9.974 8.290 -14.544 480 2HB ASN 57 2HB ASN 57 -9.038 8.685 -15.984 481 1HD2 ASN 57 1HD2 ASN 57 -10.314 10.621 -16.503 482 2HD2 ASN 57 2HD2 ASN 57 -11.924 10.498 -17.028 483 HA PRO 58 HA PRO 58 -6.877 5.274 -18.458 484 1HB PRO 58 1HB PRO 58 -7.598 5.628 -21.065 485 2HB PRO 58 2HB PRO 58 -8.136 4.245 -20.095 486 1HG PRO 58 1HG PRO 58 -9.626 6.636 -20.953 487 2HG PRO 58 2HG PRO 58 -10.212 5.011 -20.576 488 1HD PRO 58 1HD PRO 58 -10.358 7.282 -18.919 489 2HD PRO 58 2HD PRO 58 -10.703 5.602 -18.458 490 H TYR 59 H TYR 59 -8.010 8.445 -18.199 491 HA TYR 59 HA TYR 59 -6.138 9.663 -20.134 492 1HB TYR 59 1HB TYR 59 -8.059 10.829 -18.080 493 2HB TYR 59 2HB TYR 59 -7.211 11.756 -19.321 494 HD1 TYR 59 HD1 TYR 59 -9.914 9.324 -18.661 495 HD2 TYR 59 HD2 TYR 59 -7.804 11.538 -21.688 496 HE1 TYR 59 HE1 TYR 59 -11.691 8.789 -20.298 497 HE2 TYR 59 HE2 TYR 59 -9.590 11.000 -23.321 498 HH TYR 59 HH TYR 59 -11.515 8.736 -23.258 499 H VAL 60 H VAL 60 -6.451 9.142 -16.599 500 HA VAL 60 HA VAL 60 -4.476 10.943 -15.641 501 HB VAL 60 HB VAL 60 -5.081 8.099 -14.737 502 1HG1 VAL 60 1HG1 VAL 60 -2.929 9.063 -13.847 503 2HG1 VAL 60 2HG1 VAL 60 -4.130 8.731 -12.599 504 3HG1 VAL 60 3HG1 VAL 60 -3.870 10.384 -13.154 505 1HG2 VAL 60 1HG2 VAL 60 -6.357 9.593 -12.960 506 2HG2 VAL 60 2HG2 VAL 60 -7.110 9.219 -14.509 507 3HG2 VAL 60 3HG2 VAL 60 -6.335 10.784 -14.261 508 H LYS 61 H LYS 61 -3.986 7.783 -17.273 509 HA LYS 61 HA LYS 61 -2.042 6.850 -18.207 510 1HB LYS 61 1HB LYS 61 -1.955 9.331 -18.963 511 2HB LYS 61 2HB LYS 61 -0.712 9.513 -17.725 512 1HG LYS 61 1HG LYS 61 0.714 7.919 -18.781 513 2HG LYS 61 2HG LYS 61 -0.580 7.352 -19.836 514 1HD LYS 61 1HD LYS 61 -0.486 9.246 -21.198 515 2HD LYS 61 2HD LYS 61 0.251 10.237 -19.937 516 1HE LYS 61 1HE LYS 61 2.300 8.688 -20.132 517 2HE LYS 61 2HE LYS 61 1.568 8.111 -21.643 518 1HZ LYS 61 1HZ LYS 61 3.068 10.085 -21.896 519 2HZ LYS 61 2HZ LYS 61 1.936 10.986 -21.006 520 3HZ LYS 61 3HZ LYS 61 1.498 10.303 -22.499 521 H ARG 62 H ARG 62 -0.220 5.694 -17.425 522 HA ARG 62 HA ARG 62 0.164 5.545 -14.573 523 1HB ARG 62 1HB ARG 62 0.840 3.977 -16.684 524 2HB ARG 62 2HB ARG 62 2.402 4.731 -16.371 525 1HG ARG 62 1HG ARG 62 1.472 4.057 -13.826 526 2HG ARG 62 2HG ARG 62 0.980 2.693 -14.826 527 1HD ARG 62 1HD ARG 62 3.651 3.387 -15.593 528 2HD ARG 62 2HD ARG 62 3.601 3.280 -13.823 529 HE ARG 62 HE ARG 62 3.070 0.974 -14.017 530 1HH1 ARG 62 1HH2 ARG 62 4.694 0.983 -16.532 531 2HH1 ARG 62 2HH2 ARG 62 3.599 0.282 -17.676 532 1HH2 ARG 62 1HH1 ARG 62 0.795 0.781 -15.698 533 2HH2 ARG 62 2HH1 ARG 62 1.391 0.167 -17.204 534 H SER 63 H SER 63 2.443 5.979 -13.532 535 HA SER 63 HA SER 63 4.189 7.442 -12.967 536 1HB SER 63 1HB SER 63 4.048 8.941 -15.528 537 2HB SER 63 2HB SER 63 5.437 8.211 -14.731 538 HG SER 63 HG SER 63 4.774 7.158 -16.705 539 H VAL 64 H VAL 64 1.985 9.371 -15.088 540 HA VAL 64 HA VAL 64 2.023 11.744 -13.502 541 HB VAL 64 HB VAL 64 -0.169 10.558 -15.261 542 1HG1 VAL 64 1HG1 VAL 64 -1.130 12.303 -13.863 543 2HG1 VAL 64 2HG1 VAL 64 -0.899 12.957 -15.485 544 3HG1 VAL 64 3HG1 VAL 64 0.231 13.375 -14.196 545 1HG2 VAL 64 1HG2 VAL 64 2.307 12.172 -15.743 546 2HG2 VAL 64 2HG2 VAL 64 0.898 12.486 -16.757 547 3HG2 VAL 64 3HG2 VAL 64 1.610 10.873 -16.711 548 H LYS 65 H LYS 65 -0.114 8.858 -13.305 549 HA LYS 65 HA LYS 65 -1.875 9.830 -11.252 550 1HB LYS 65 1HB LYS 65 -2.056 7.703 -12.673 551 2HB LYS 65 2HB LYS 65 -0.899 6.972 -11.561 552 1HG LYS 65 1HG LYS 65 -2.410 7.420 -9.672 553 2HG LYS 65 2HG LYS 65 -3.563 8.186 -10.765 554 1HD LYS 65 1HD LYS 65 -3.200 5.793 -12.020 555 2HD LYS 65 2HD LYS 65 -2.989 5.312 -10.337 556 1HE LYS 65 1HE LYS 65 -5.273 5.206 -10.292 557 2HE LYS 65 2HE LYS 65 -5.207 6.978 -10.212 558 1HZ LYS 65 1HZ LYS 65 -5.019 6.945 -12.689 559 2HZ LYS 65 2HZ LYS 65 -6.521 6.419 -12.094 560 3HZ LYS 65 3HZ LYS 65 -5.380 5.289 -12.648 561 H VAL 66 H VAL 66 1.371 8.306 -11.039 562 HA VAL 66 HA VAL 66 1.444 7.858 -8.214 563 HB VAL 66 HB VAL 66 3.671 8.710 -10.110 564 1HG1 VAL 66 1HG1 VAL 66 4.347 8.977 -7.769 565 2HG1 VAL 66 2HG1 VAL 66 5.155 7.572 -8.464 566 3HG1 VAL 66 3HG1 VAL 66 3.768 7.353 -7.396 567 1HG2 VAL 66 1HG2 VAL 66 4.043 6.085 -9.799 568 2HG2 VAL 66 2HG2 VAL 66 2.942 6.710 -11.027 569 3HG2 VAL 66 3HG2 VAL 66 2.307 6.119 -9.491 570 H LYS 67 H LYS 67 2.116 10.849 -10.097 571 HA LYS 67 HA LYS 67 3.094 12.463 -7.940 572 1HB LYS 67 1HB LYS 67 1.446 13.153 -10.399 573 2HB LYS 67 2HB LYS 67 2.196 14.366 -9.361 574 1HG LYS 67 1HG LYS 67 4.390 13.033 -9.746 575 2HG LYS 67 2HG LYS 67 3.532 12.302 -11.103 576 1HD LYS 67 1HD LYS 67 4.401 14.116 -12.213 577 2HD LYS 67 2HD LYS 67 2.945 14.885 -11.580 578 1HE LYS 67 1HE LYS 67 4.555 16.403 -10.846 579 2HE LYS 67 2HE LYS 67 4.540 15.294 -9.460 580 1HZ LYS 67 1HZ LYS 67 6.281 13.993 -10.562 581 2HZ LYS 67 2HZ LYS 67 6.794 15.582 -10.249 582 3HZ LYS 67 3HZ LYS 67 6.339 15.128 -11.821 583 H SER 68 H SER 68 -0.278 11.782 -8.979 584 HA SER 68 HA SER 68 -1.598 13.589 -7.180 585 1HB SER 68 1HB SER 68 -2.534 12.131 -9.116 586 2HB SER 68 2HB SER 68 -2.645 10.845 -7.917 587 HG SER 68 HG SER 68 -4.524 12.343 -8.252 588 H LEU 69 H LEU 69 -0.422 10.227 -6.678 589 HA LEU 69 HA LEU 69 -1.558 9.834 -4.064 590 1HB LEU 69 1HB LEU 69 0.736 8.711 -5.638 591 2HB LEU 69 2HB LEU 69 0.663 8.342 -3.915 592 HG LEU 69 HG LEU 69 -1.699 7.565 -4.237 593 1HD1 LEU 69 1HD1 LEU 69 -2.399 7.099 -6.595 594 2HD1 LEU 69 2HD1 LEU 69 -0.984 7.992 -7.154 595 3HD1 LEU 69 3HD1 LEU 69 -2.250 8.822 -6.250 596 1HD2 LEU 69 1HD2 LEU 69 -1.075 5.426 -5.063 597 2HD2 LEU 69 2HD2 LEU 69 0.409 6.085 -4.376 598 3HD2 LEU 69 3HD2 LEU 69 0.161 6.106 -6.121 599 H SER 70 H SER 70 1.691 11.092 -5.020 600 HA SER 70 HA SER 70 2.572 11.636 -2.322 601 1HB SER 70 1HB SER 70 3.309 12.703 -5.056 602 2HB SER 70 2HB SER 70 4.089 13.322 -3.603 603 HG SER 70 HG SER 70 5.035 11.409 -4.771 604 H ASP 71 H ASP 71 0.929 13.713 -4.763 605 HA ASP 71 HA ASP 71 0.819 16.050 -3.032 606 1HB ASP 71 1HB ASP 71 0.506 15.787 -5.625 607 2HB ASP 71 2HB ASP 71 -1.181 15.469 -5.215 608 H MET 72 H MET 72 -1.159 13.123 -3.211 609 HA MET 72 HA MET 72 -3.378 14.374 -1.677 610 1HB MET 72 1HB MET 72 -3.849 12.659 -3.410 611 2HB MET 72 2HB MET 72 -2.821 11.508 -2.558 612 1HG MET 72 1HG MET 72 -5.006 12.792 -0.987 613 2HG MET 72 2HG MET 72 -5.482 11.591 -2.187 614 1HE MET 72 1HE MET 72 -3.829 8.380 -1.225 615 2HE MET 72 2HE MET 72 -2.902 9.547 -2.164 616 3HE MET 72 3HE MET 72 -4.635 9.386 -2.437 617 H THR 73 H THR 73 -0.787 11.929 -1.277 618 HA THR 73 HA THR 73 -1.218 11.301 1.479 619 HB THR 73 HB THR 73 1.092 11.274 -0.462 620 HG1 THR 73 HG1 THR 73 -0.312 9.580 -0.540 621 1HG2 THR 73 1HG2 THR 73 2.477 11.685 1.316 622 2HG2 THR 73 2HG2 THR 73 2.260 9.945 1.520 623 3HG2 THR 73 3HG2 THR 73 1.325 11.073 2.501 624 H ALA 74 H ALA 74 0.528 14.057 -0.059 625 HA ALA 74 HA ALA 74 1.749 15.140 2.299 626 1HB ALA 74 1HB ALA 74 2.091 17.061 0.981 627 2HB ALA 74 2HB ALA 74 0.540 16.891 0.160 628 3HB ALA 74 3HB ALA 74 1.874 15.812 -0.245 629 H LYS 75 H LYS 75 -1.575 15.572 1.001 630 HA LYS 75 HA LYS 75 -2.283 17.343 3.287 631 1HB LYS 75 1HB LYS 75 -3.031 17.341 0.697 632 2HB LYS 75 2HB LYS 75 -4.312 16.319 1.349 633 1HG LYS 75 1HG LYS 75 -5.167 18.011 2.695 634 2HG LYS 75 2HG LYS 75 -3.625 18.864 2.779 635 1HD LYS 75 1HD LYS 75 -4.863 18.608 0.083 636 2HD LYS 75 2HD LYS 75 -5.653 19.704 1.218 637 1HE LYS 75 1HE LYS 75 -3.107 20.483 1.621 638 2HE LYS 75 2HE LYS 75 -2.966 19.925 -0.058 639 1HZ LYS 75 1HZ LYS 75 -4.816 21.270 -0.688 640 2HZ LYS 75 2HZ LYS 75 -3.729 22.269 0.153 641 3HZ LYS 75 3HZ LYS 75 -5.134 21.702 0.921 642 H GLU 76 H GLU 76 -2.896 14.002 2.142 643 HA GLU 76 HA GLU 76 -4.982 13.353 4.018 644 1HB GLU 76 1HB GLU 76 -4.195 12.073 1.944 645 2HB GLU 76 2HB GLU 76 -2.890 11.444 2.952 646 1HG GLU 76 1HG GLU 76 -4.495 9.794 3.263 647 2HG GLU 76 2HG GLU 76 -4.880 10.873 4.605 648 H LYS 77 H LYS 77 -1.524 13.788 4.570 649 HA LYS 77 HA LYS 77 -0.252 13.534 6.525 650 1HB LYS 77 1HB LYS 77 -2.664 14.526 7.264 651 2HB LYS 77 2HB LYS 77 -2.695 13.000 8.150 652 1HG LYS 77 1HG LYS 77 -0.779 13.544 9.401 653 2HG LYS 77 2HG LYS 77 -0.269 14.782 8.253 654 1HD LYS 77 1HD LYS 77 -2.618 15.854 8.932 655 2HD LYS 77 2HD LYS 77 -2.331 14.931 10.408 656 1HE LYS 77 1HE LYS 77 -1.156 16.823 11.006 657 2HE LYS 77 2HE LYS 77 0.130 16.057 10.052 658 1HZ LYS 77 1HZ LYS 77 -0.307 18.313 9.272 659 2HZ LYS 77 2HZ LYS 77 -1.936 17.917 8.994 660 3HZ LYS 77 3HZ LYS 77 -0.711 17.174 8.081 661 H PHE 78 H PHE 78 -0.479 11.238 4.944 662 HA PHE 78 HA PHE 78 -1.496 8.884 6.190 663 1HB PHE 78 1HB PHE 78 0.477 9.554 4.095 664 2HB PHE 78 2HB PHE 78 0.787 8.016 4.895 665 HD1 PHE 78 HD1 PHE 78 -0.830 9.360 2.157 666 HD2 PHE 78 HD2 PHE 78 -1.592 6.754 5.492 667 HE1 PHE 78 HE1 PHE 78 -2.716 8.327 0.917 668 HE2 PHE 78 HE2 PHE 78 -3.481 5.726 4.246 669 HZ PHE 78 HZ PHE 78 -4.041 6.508 1.967 670 H SER 79 H SER 79 0.451 7.061 6.780 671 HA SER 79 HA SER 79 1.665 8.221 9.235 672 1HB SER 79 1HB SER 79 0.339 5.733 8.458 673 2HB SER 79 2HB SER 79 1.862 5.426 9.275 674 HG SER 79 HG SER 79 -0.330 5.923 10.464 675 HA PRO 80 HA PRO 80 5.751 7.456 7.859 676 1HB PRO 80 1HB PRO 80 6.907 5.744 9.643 677 2HB PRO 80 2HB PRO 80 6.591 7.456 9.983 678 1HG PRO 80 1HG PRO 80 5.006 5.054 10.765 679 2HG PRO 80 2HG PRO 80 5.437 6.480 11.726 680 1HD PRO 80 1HD PRO 80 3.014 6.204 10.624 681 2HD PRO 80 2HD PRO 80 3.795 7.790 10.772 682 H LEU 81 H LEU 81 3.652 4.641 8.157 683 HA LEU 81 HA LEU 81 5.518 3.118 6.379 684 1HB LEU 81 1HB LEU 81 3.485 2.410 8.483 685 2HB LEU 81 2HB LEU 81 3.825 1.255 7.184 686 HG LEU 81 HG LEU 81 6.217 2.476 8.444 687 1HD1 LEU 81 1HD1 LEU 81 4.457 1.967 10.303 688 2HD1 LEU 81 2HD1 LEU 81 6.102 1.362 10.499 689 3HD1 LEU 81 3HD1 LEU 81 4.824 0.279 9.951 690 1HD2 LEU 81 1HD2 LEU 81 6.725 0.784 6.917 691 2HD2 LEU 81 2HD2 LEU 81 5.321 -0.183 7.369 692 3HD2 LEU 81 3HD2 LEU 81 6.725 -0.115 8.435 693 H THR 82 H THR 82 3.353 5.296 5.659 694 HA THR 82 HA THR 82 1.918 3.528 3.737 695 HB THR 82 HB THR 82 0.507 5.934 4.805 696 HG1 THR 82 HG1 THR 82 0.911 3.556 6.345 697 1HG2 THR 82 1HG2 THR 82 -0.918 3.441 4.911 698 2HG2 THR 82 2HG2 THR 82 -0.062 3.514 3.374 699 3HG2 THR 82 3HG2 THR 82 -1.177 4.797 3.823 700 H SER 83 H SER 83 4.300 5.662 3.575 701 HA SER 83 HA SER 83 3.088 7.069 1.226 702 1HB SER 83 1HB SER 83 3.645 8.517 3.246 703 2HB SER 83 2HB SER 83 5.332 8.054 3.040 704 HG SER 83 HG SER 83 5.358 9.071 1.078 705 H ASN 84 H ASN 84 4.338 4.470 1.292 706 HA ASN 84 HA ASN 84 6.566 4.914 -0.641 707 1HB ASN 84 1HB ASN 84 6.684 3.745 2.074 708 2HB ASN 84 2HB ASN 84 7.353 2.689 0.829 709 1HD2 ASN 84 1HD2 ASN 84 8.670 4.342 -0.925 710 2HD2 ASN 84 2HD2 ASN 84 9.825 5.291 -0.122 711 H LEU 85 H LEU 85 4.807 2.303 1.125 712 HA LEU 85 HA LEU 85 4.493 0.535 -1.117 713 1HB LEU 85 1HB LEU 85 4.070 -0.211 1.172 714 2HB LEU 85 2HB LEU 85 2.837 1.024 1.402 715 HG LEU 85 HG LEU 85 1.444 -0.059 -0.345 716 1HD1 LEU 85 1HD1 LEU 85 3.735 -2.046 -0.368 717 2HD1 LEU 85 2HD1 LEU 85 3.135 -1.090 -1.724 718 3HD1 LEU 85 3HD1 LEU 85 2.147 -2.389 -1.054 719 1HD2 LEU 85 1HD2 LEU 85 0.661 -1.806 1.037 720 2HD2 LEU 85 2HD2 LEU 85 1.465 -0.718 2.168 721 3HD2 LEU 85 3HD2 LEU 85 2.279 -2.185 1.627 722 H ILE 86 H ILE 86 2.766 3.541 -0.143 723 HA ILE 86 HA ILE 86 0.409 3.209 -1.719 724 HB ILE 86 HB ILE 86 0.837 5.026 -0.045 725 1HG1 ILE 86 1HG1 ILE 86 0.256 6.621 -2.457 726 2HG1 ILE 86 2HG1 ILE 86 -0.676 5.129 -2.352 727 1HG2 ILE 86 1HG2 ILE 86 2.208 6.915 -0.561 728 2HG2 ILE 86 2HG2 ILE 86 2.426 6.390 -2.230 729 3HG2 ILE 86 3HG2 ILE 86 3.192 5.496 -0.919 730 1HD1 ILE 86 1HD1 ILE 86 -1.764 5.778 -0.422 731 2HD1 ILE 86 2HD1 ILE 86 -1.518 7.356 -1.170 732 3HD1 ILE 86 3HD1 ILE 86 -0.431 6.807 0.109 733 H ASN 87 H ASN 87 3.693 4.312 -2.666 734 HA ASN 87 HA ASN 87 2.969 5.088 -5.368 735 1HB ASN 87 1HB ASN 87 5.523 4.244 -3.979 736 2HB ASN 87 2HB ASN 87 5.508 4.566 -5.713 737 1HD2 ASN 87 1HD2 ASN 87 6.345 6.676 -6.010 738 2HD2 ASN 87 2HD2 ASN 87 5.886 8.020 -5.081 739 H LEU 88 H LEU 88 4.395 2.044 -4.051 740 HA LEU 88 HA LEU 88 4.470 0.496 -6.420 741 1HB LEU 88 1HB LEU 88 4.188 -0.027 -3.503 742 2HB LEU 88 2HB LEU 88 3.715 -1.353 -4.563 743 HG LEU 88 HG LEU 88 6.257 0.006 -5.270 744 1HD1 LEU 88 1HD1 LEU 88 5.929 -1.678 -2.769 745 2HD1 LEU 88 2HD1 LEU 88 6.538 -0.025 -2.866 746 3HD1 LEU 88 3HD1 LEU 88 7.484 -1.355 -3.537 747 1HD2 LEU 88 1HD2 LEU 88 5.967 -1.864 -6.577 748 2HD2 LEU 88 2HD2 LEU 88 4.996 -2.691 -5.359 749 3HD2 LEU 88 3HD2 LEU 88 6.753 -2.651 -5.208 750 H LEU 89 H LEU 89 1.669 1.097 -4.244 751 HA LEU 89 HA LEU 89 -0.177 -0.682 -5.533 752 1HB LEU 89 1HB LEU 89 -0.330 1.730 -3.783 753 2HB LEU 89 2HB LEU 89 -1.793 1.326 -4.680 754 HG LEU 89 HG LEU 89 -0.254 -0.688 -3.026 755 1HD1 LEU 89 1HD1 LEU 89 -2.538 -0.288 -1.637 756 2HD1 LEU 89 2HD1 LEU 89 -2.297 1.339 -2.275 757 3HD1 LEU 89 3HD1 LEU 89 -1.044 0.583 -1.290 758 1HD2 LEU 89 1HD2 LEU 89 -1.906 -2.178 -3.591 759 2HD2 LEU 89 2HD2 LEU 89 -2.037 -1.138 -5.010 760 3HD2 LEU 89 3HD2 LEU 89 -3.151 -0.930 -3.659 761 H ALA 90 H ALA 90 0.702 2.723 -6.270 762 HA ALA 90 HA ALA 90 -0.961 2.525 -8.758 763 1HB ALA 90 1HB ALA 90 -0.940 4.405 -6.786 764 2HB ALA 90 2HB ALA 90 -1.399 4.756 -8.453 765 3HB ALA 90 3HB ALA 90 0.240 5.101 -7.897 766 H GLU 91 H GLU 91 1.859 1.361 -8.375 767 HA GLU 91 HA GLU 91 3.372 3.123 -10.272 768 1HB GLU 91 1HB GLU 91 4.436 2.552 -8.113 769 2HB GLU 91 2HB GLU 91 4.256 0.835 -8.476 770 1HG GLU 91 1HG GLU 91 6.498 1.382 -9.081 771 2HG GLU 91 2HG GLU 91 5.608 1.300 -10.602 772 H ASN 92 H ASN 92 2.601 -0.381 -9.719 773 HA ASN 92 HA ASN 92 3.165 -0.827 -12.633 774 1HB ASN 92 1HB ASN 92 3.140 -2.629 -10.197 775 2HB ASN 92 2HB ASN 92 3.340 -3.233 -11.842 776 1HD2 ASN 92 1HD2 ASN 92 5.590 -3.809 -11.835 777 2HD2 ASN 92 2HD2 ASN 92 6.826 -2.700 -11.485 778 H GLY 93 H GLY 93 0.503 0.200 -11.438 779 1HA GLY 93 1HA GLY 93 -1.724 -0.140 -12.105 780 2HA GLY 93 2HA GLY 93 -1.210 -1.601 -12.954 781 H ARG 94 H ARG 94 -0.964 -0.644 -9.479 782 HA ARG 94 HA ARG 94 -2.186 -3.295 -8.836 783 1HB ARG 94 1HB ARG 94 -0.012 -1.667 -7.791 784 2HB ARG 94 2HB ARG 94 -1.142 -2.102 -6.511 785 1HG ARG 94 1HG ARG 94 0.471 -3.870 -6.611 786 2HG ARG 94 2HG ARG 94 -1.001 -4.496 -7.352 787 1HD ARG 94 1HD ARG 94 0.845 -3.129 -9.228 788 2HD ARG 94 2HD ARG 94 1.444 -4.655 -8.547 789 HE ARG 94 HE ARG 94 -0.804 -4.390 -10.377 790 1HH1 ARG 94 1HH1 ARG 94 1.261 -6.586 -9.056 791 2HH1 ARG 94 2HH1 ARG 94 0.104 -7.858 -8.841 792 1HH2 ARG 94 1HH2 ARG 94 -2.633 -5.845 -9.537 793 2HH2 ARG 94 2HH2 ARG 94 -2.100 -7.438 -9.113 794 H LEU 95 H LEU 95 -3.837 -0.905 -9.602 795 HA LEU 95 HA LEU 95 -5.176 -0.329 -6.980 796 1HB LEU 95 1HB LEU 95 -5.167 1.002 -9.711 797 2HB LEU 95 2HB LEU 95 -6.305 1.458 -8.444 798 HG LEU 95 HG LEU 95 -3.288 1.480 -8.133 799 1HD1 LEU 95 1HD1 LEU 95 -5.269 3.532 -9.011 800 2HD1 LEU 95 2HD1 LEU 95 -3.586 3.321 -9.490 801 3HD1 LEU 95 3HD1 LEU 95 -3.974 4.060 -7.936 802 1HD2 LEU 95 1HD2 LEU 95 -5.615 2.159 -6.345 803 2HD2 LEU 95 2HD2 LEU 95 -4.071 2.983 -6.129 804 3HD2 LEU 95 3HD2 LEU 95 -4.165 1.229 -5.968 805 H THR 96 H THR 96 -7.758 -0.094 -7.492 806 HA THR 96 HA THR 96 -9.766 -1.080 -8.320 807 HB THR 96 HB THR 96 -8.284 -3.210 -9.826 808 HG1 THR 96 HG1 THR 96 -7.747 -1.787 -11.429 809 1HG2 THR 96 1HG2 THR 96 -10.833 -2.828 -9.717 810 2HG2 THR 96 2HG2 THR 96 -10.116 -3.035 -11.314 811 3HG2 THR 96 3HG2 THR 96 -10.537 -1.422 -10.738 812 H ASN 97 H ASN 97 -7.149 -3.549 -7.760 813 HA ASN 97 HA ASN 97 -9.037 -4.959 -5.919 814 1HB ASN 97 1HB ASN 97 -6.331 -5.748 -7.069 815 2HB ASN 97 2HB ASN 97 -7.381 -6.794 -6.114 816 1HD2 ASN 97 1HD2 ASN 97 -6.740 -5.657 -9.342 817 2HD2 ASN 97 2HD2 ASN 97 -8.097 -6.366 -10.076 818 H THR 98 H THR 98 -7.602 -2.328 -5.285 819 HA THR 98 HA THR 98 -5.337 -2.483 -3.715 820 HB THR 98 HB THR 98 -7.429 -0.857 -2.462 821 HG1 THR 98 HG1 THR 98 -8.467 -0.422 -4.238 822 1HG2 THR 98 1HG2 THR 98 -4.954 -0.182 -4.073 823 2HG2 THR 98 2HG2 THR 98 -5.010 -0.397 -2.323 824 3HG2 THR 98 3HG2 THR 98 -5.870 0.947 -3.075 825 HA PRO 99 HA PRO 99 -7.887 -3.680 0.187 826 1HB PRO 99 1HB PRO 99 -10.285 -4.951 -0.229 827 2HB PRO 99 2HB PRO 99 -10.131 -3.201 0.032 828 1HG PRO 99 1HG PRO 99 -10.424 -4.715 -2.521 829 2HG PRO 99 2HG PRO 99 -11.194 -3.202 -2.014 830 1HD PRO 99 1HD PRO 99 -9.105 -3.242 -3.692 831 2HD PRO 99 2HD PRO 99 -9.333 -1.927 -2.522 832 H ALA 100 H ALA 100 -8.157 -5.739 -2.741 833 HA ALA 100 HA ALA 100 -8.026 -8.292 -1.417 834 1HB ALA 100 1HB ALA 100 -8.547 -8.153 -3.780 835 2HB ALA 100 2HB ALA 100 -7.020 -9.024 -3.644 836 3HB ALA 100 3HB ALA 100 -7.026 -7.326 -4.120 837 H VAL 101 H VAL 101 -5.427 -6.058 -2.501 838 HA VAL 101 HA VAL 101 -3.263 -7.814 -1.599 839 HB VAL 101 HB VAL 101 -3.307 -4.815 -2.125 840 1HG1 VAL 101 1HG1 VAL 101 -1.335 -5.768 -0.837 841 2HG1 VAL 101 2HG1 VAL 101 -0.920 -4.985 -2.362 842 3HG1 VAL 101 3HG1 VAL 101 -0.977 -6.746 -2.260 843 1HG2 VAL 101 1HG2 VAL 101 -2.168 -5.819 -4.318 844 2HG2 VAL 101 2HG2 VAL 101 -3.920 -5.671 -4.188 845 3HG2 VAL 101 3HG2 VAL 101 -3.143 -7.226 -3.892 846 H ILE 102 H ILE 102 -5.082 -5.071 -0.163 847 HA ILE 102 HA ILE 102 -3.427 -4.931 2.239 848 HB ILE 102 HB ILE 102 -6.264 -3.976 1.695 849 1HG1 ILE 102 1HG1 ILE 102 -3.866 -2.185 1.735 850 2HG1 ILE 102 2HG1 ILE 102 -4.124 -3.184 0.305 851 1HG2 ILE 102 1HG2 ILE 102 -5.524 -2.275 3.515 852 2HG2 ILE 102 2HG2 ILE 102 -4.294 -3.470 3.922 853 3HG2 ILE 102 3HG2 ILE 102 -6.002 -3.890 4.039 854 1HD1 ILE 102 1HD1 ILE 102 -6.099 -1.224 1.508 855 2HD1 ILE 102 2HD1 ILE 102 -6.453 -2.295 0.153 856 3HD1 ILE 102 3HD1 ILE 102 -5.231 -1.034 -0.015 857 H SER 103 H SER 103 -6.379 -6.770 1.346 858 HA SER 103 HA SER 103 -7.206 -7.605 3.947 859 1HB SER 103 1HB SER 103 -8.266 -8.052 1.632 860 2HB SER 103 2HB SER 103 -7.151 -9.409 1.509 861 HG SER 103 HG SER 103 -9.258 -9.899 2.428 862 H ALA 104 H ALA 104 -4.658 -8.973 1.817 863 HA ALA 104 HA ALA 104 -3.959 -11.215 3.478 864 1HB ALA 104 1HB ALA 104 -1.802 -11.115 2.260 865 2HB ALA 104 2HB ALA 104 -2.186 -9.484 1.709 866 3HB ALA 104 3HB ALA 104 -3.150 -10.852 1.152 867 H PHE 105 H PHE 105 -3.002 -7.762 3.636 868 HA PHE 105 HA PHE 105 -0.871 -7.893 5.503 869 1HB PHE 105 1HB PHE 105 -1.867 -5.865 4.296 870 2HB PHE 105 2HB PHE 105 -3.114 -5.845 5.543 871 HD1 PHE 105 HD1 PHE 105 0.096 -4.664 4.649 872 HD2 PHE 105 HD2 PHE 105 -2.211 -5.913 8.042 873 HE1 PHE 105 HE1 PHE 105 1.625 -3.429 6.144 874 HE2 PHE 105 HE2 PHE 105 -0.683 -4.674 9.533 875 HZ PHE 105 HZ PHE 105 1.244 -3.448 8.587 876 H SER 106 H SER 106 -4.413 -7.948 6.121 877 HA SER 106 HA SER 106 -4.127 -7.966 9.025 878 1HB SER 106 1HB SER 106 -6.194 -7.393 7.579 879 2HB SER 106 2HB SER 106 -6.436 -9.133 7.442 880 HG SER 106 HG SER 106 -7.571 -8.191 9.217 881 H THR 107 H THR 107 -4.445 -10.557 6.557 882 HA THR 107 HA THR 107 -4.481 -12.700 8.551 883 HB THR 107 HB THR 107 -3.622 -13.004 5.668 884 HG1 THR 107 HG1 THR 107 -5.748 -12.876 5.069 885 1HG2 THR 107 1HG2 THR 107 -4.823 -14.682 7.811 886 2HG2 THR 107 2HG2 THR 107 -3.663 -15.118 6.557 887 3HG2 THR 107 3HG2 THR 107 -5.376 -14.980 6.163 888 H MET 108 H MET 108 -1.912 -11.059 6.654 889 HA MET 108 HA MET 108 0.167 -12.948 7.453 890 1HB MET 108 1HB MET 108 0.010 -10.263 6.127 891 2HB MET 108 2HB MET 108 1.561 -10.754 6.802 892 1HG MET 108 1HG MET 108 1.409 -11.455 4.453 893 2HG MET 108 2HG MET 108 1.453 -12.866 5.507 894 1HE MET 108 1HE MET 108 0.243 -14.252 3.077 895 2HE MET 108 2HE MET 108 -1.022 -14.916 4.108 896 3HE MET 108 3HE MET 108 0.570 -14.581 4.784 897 H MET 109 H MET 109 -1.156 -9.915 8.844 898 HA MET 109 HA MET 109 0.883 -9.441 10.825 899 1HB MET 109 1HB MET 109 -1.050 -7.927 10.227 900 2HB MET 109 2HB MET 109 -2.126 -9.031 11.083 901 1HG MET 109 1HG MET 109 0.295 -8.067 12.539 902 2HG MET 109 2HG MET 109 -1.024 -6.919 12.304 903 1HE MET 109 1HE MET 109 -3.496 -7.887 12.394 904 2HE MET 109 2HE MET 109 -3.156 -6.858 13.784 905 3HE MET 109 3HE MET 109 -4.032 -8.370 14.010 906 H SER 110 H SER 110 -2.020 -11.605 10.907 907 HA SER 110 HA SER 110 -1.811 -12.425 13.639 908 1HB SER 110 1HB SER 110 -2.749 -13.765 11.103 909 2HB SER 110 2HB SER 110 -2.746 -14.659 12.620 910 HG SER 110 HG SER 110 -4.139 -12.292 11.939 911 H VAL 111 H VAL 111 0.139 -13.452 10.824 912 HA VAL 111 HA VAL 111 1.455 -15.621 12.306 913 HB VAL 111 HB VAL 111 2.250 -14.189 9.745 914 1HG1 VAL 111 1HG1 VAL 111 3.106 -16.791 11.029 915 2HG1 VAL 111 2HG1 VAL 111 4.126 -15.436 10.545 916 3HG1 VAL 111 3HG1 VAL 111 3.364 -16.448 9.318 917 1HG2 VAL 111 1HG2 VAL 111 0.221 -15.094 9.128 918 2HG2 VAL 111 2HG2 VAL 111 0.266 -16.322 10.394 919 3HG2 VAL 111 3HG2 VAL 111 1.220 -16.533 8.925 920 H HIS 112 H HIS 112 1.833 -12.183 12.457 921 HA HIS 112 HA HIS 112 4.712 -12.301 13.038 922 1HB HIS 112 1HB HIS 112 4.620 -10.075 12.534 923 2HB HIS 112 2HB HIS 112 3.032 -10.457 11.891 924 HD1 HIS 112 HD1 HIS 112 1.068 -10.303 13.973 925 HD2 HIS 112 HD2 HIS 112 4.499 -8.024 14.245 926 HE1 HIS 112 HE1 HIS 112 0.567 -8.488 15.656 927 H ARG 113 H ARG 113 1.636 -12.375 14.811 928 HA ARG 113 HA ARG 113 2.960 -11.671 17.371 929 1HB ARG 113 1HB ARG 113 0.578 -11.037 16.611 930 2HB ARG 113 2HB ARG 113 0.148 -12.713 16.951 931 1HG ARG 113 1HG ARG 113 0.256 -12.421 19.206 932 2HG ARG 113 2HG ARG 113 1.678 -11.382 19.101 933 1HD ARG 113 1HD ARG 113 -0.166 -9.735 17.979 934 2HD ARG 113 2HD ARG 113 -1.197 -10.637 19.109 935 HE ARG 113 HE ARG 113 1.259 -9.127 19.906 936 1HH1 ARG 113 1HH1 ARG 113 -0.656 -11.553 21.114 937 2HH1 ARG 113 2HH1 ARG 113 -1.170 -10.706 22.534 938 1HH2 ARG 113 1HH2 ARG 113 0.145 -7.662 21.519 939 2HH2 ARG 113 2HH2 ARG 113 -0.718 -8.503 22.763 940 H GLY 114 H GLY 114 1.727 -14.599 15.693 941 1HA GLY 114 1HA GLY 114 1.838 -16.378 17.914 942 2HA GLY 114 2HA GLY 114 1.996 -16.861 16.225 943 H GLU 115 H GLU 115 4.398 -15.338 15.618 944 HA GLU 115 HA GLU 115 6.365 -16.958 17.199 945 1HB GLU 115 1HB GLU 115 5.986 -17.072 14.610 946 2HB GLU 115 2HB GLU 115 6.906 -15.567 14.583 947 1HG GLU 115 1HG GLU 115 8.650 -16.810 16.012 948 2HG GLU 115 2HG GLU 115 7.801 -18.284 15.546 949 H VAL 116 H VAL 116 6.021 -13.671 15.707 950 HA VAL 116 HA VAL 116 7.011 -11.621 16.314 951 HB VAL 116 HB VAL 116 7.034 -13.026 19.011 952 1HG1 VAL 116 1HG1 VAL 116 6.636 -10.089 18.724 953 2HG1 VAL 116 2HG1 VAL 116 8.271 -10.694 18.464 954 3HG1 VAL 116 3HG1 VAL 116 7.453 -10.994 19.997 955 1HG2 VAL 116 1HG2 VAL 116 4.820 -12.216 19.326 956 2HG2 VAL 116 2HG2 VAL 116 4.820 -12.882 17.694 957 3HG2 VAL 116 3HG2 VAL 116 4.932 -11.139 17.934 958 HA PRO 117 HA PRO 117 11.221 -13.685 16.425 959 1HB PRO 117 1HB PRO 117 12.030 -12.988 13.906 960 2HB PRO 117 2HB PRO 117 11.148 -14.488 14.255 961 1HG PRO 117 1HG PRO 117 10.150 -11.927 13.122 962 2HG PRO 117 2HG PRO 117 9.703 -13.592 12.719 963 1HD PRO 117 1HD PRO 117 8.187 -11.948 14.292 964 2HD PRO 117 2HD PRO 117 8.161 -13.721 14.398 965 H CYS 118 H CYS 118 12.903 -12.394 17.252 966 HA CYS 118 HA CYS 118 12.936 -9.501 16.447 967 1HB CYS 118 1HB CYS 118 12.033 -10.378 18.806 968 2HB CYS 118 2HB CYS 118 13.755 -10.394 19.182 969 HG CYS 118 HG CYS 118 13.862 -7.844 18.707 970 H THR 119 H THR 119 15.023 -8.689 15.972 971 HA THR 119 HA THR 119 17.376 -10.372 16.722 972 HB THR 119 HB THR 119 18.118 -9.841 14.274 973 HG1 THR 119 HG1 THR 119 16.560 -8.474 13.618 974 1HG2 THR 119 1HG2 THR 119 16.902 -11.846 13.451 975 2HG2 THR 119 2HG2 THR 119 15.863 -11.776 14.875 976 3HG2 THR 119 3HG2 THR 119 17.588 -12.097 15.056 977 H VAL 120 H VAL 120 19.365 -9.116 16.902 978 HA VAL 120 HA VAL 120 19.119 -6.176 16.447 979 HB VAL 120 HB VAL 120 20.014 -5.817 18.745 980 1HG1 VAL 120 1HG1 VAL 120 17.940 -6.009 19.778 981 2HG1 VAL 120 2HG1 VAL 120 17.616 -7.590 19.066 982 3HG1 VAL 120 3HG1 VAL 120 17.479 -6.134 18.080 983 1HG2 VAL 120 1HG2 VAL 120 19.567 -8.806 19.059 984 2HG2 VAL 120 2HG2 VAL 120 20.107 -7.693 20.317 985 3HG2 VAL 120 3HG2 VAL 120 21.149 -8.037 18.935 986 1H GLN 1 1H GLN 1 16.889 -5.536 -11.205 987 2H GLN 1 2H GLN 1 17.224 -4.496 -12.505 988 3H GLN 1 3H GLN 1 18.066 -5.965 -12.348 989 HA GLN 1 HA GLN 1 16.374 -6.155 -14.072 990 1HB GLN 1 1HB GLN 1 16.232 -7.623 -11.448 991 2HB GLN 1 2HB GLN 1 15.140 -8.072 -12.759 992 1HG GLN 1 1HG GLN 1 17.189 -8.237 -14.255 993 2HG GLN 1 2HG GLN 1 18.166 -8.087 -12.794 994 1HE2 GLN 1 1HE2 GLN 1 18.979 -10.325 -12.917 995 2HE2 GLN 1 2HE2 GLN 1 17.951 -11.644 -12.630 996 H LYS 2 H LYS 2 14.672 -4.781 -14.674 997 HA LYS 2 HA LYS 2 12.471 -4.386 -12.668 998 1HB LYS 2 1HB LYS 2 13.976 -2.540 -14.482 999 2HB LYS 2 2HB LYS 2 12.278 -2.186 -14.163 1000 1HG LYS 2 1HG LYS 2 12.845 -2.464 -11.678 1001 2HG LYS 2 2HG LYS 2 14.538 -2.407 -12.168 1002 1HD LYS 2 1HD LYS 2 12.614 -0.276 -13.080 1003 2HD LYS 2 2HD LYS 2 13.370 -0.179 -11.488 1004 1HE LYS 2 1HE LYS 2 15.532 0.047 -12.385 1005 2HE LYS 2 2HE LYS 2 15.061 -0.667 -13.941 1006 1HZ LYS 2 1HZ LYS 2 15.146 1.681 -14.239 1007 2HZ LYS 2 2HZ LYS 2 14.224 1.962 -12.840 1008 3HZ LYS 2 3HZ LYS 2 13.507 1.245 -14.204 1009 H THR 3 H THR 3 11.374 -6.292 -13.715 1010 HA THR 3 HA THR 3 10.048 -5.492 -16.277 1011 HB THR 3 HB THR 3 10.343 -7.974 -16.889 1012 HG1 THR 3 HG1 THR 3 11.909 -9.061 -15.771 1013 1HG2 THR 3 1HG2 THR 3 12.759 -6.166 -16.626 1014 2HG2 THR 3 2HG2 THR 3 11.641 -6.232 -17.988 1015 3HG2 THR 3 3HG2 THR 3 12.693 -7.605 -17.643 1016 H GLY 4 H GLY 4 7.908 -5.257 -15.515 1017 1HA GLY 4 1HA GLY 4 5.813 -6.005 -14.755 1018 2HA GLY 4 2HA GLY 4 6.495 -7.627 -14.628 1019 H THR 5 H THR 5 6.744 -8.412 -12.548 1020 HA THR 5 HA THR 5 7.045 -6.403 -10.338 1021 HB THR 5 HB THR 5 5.621 -8.255 -9.105 1022 HG1 THR 5 HG1 THR 5 5.523 -9.760 -10.701 1023 1HG2 THR 5 1HG2 THR 5 3.576 -7.072 -9.740 1024 2HG2 THR 5 2HG2 THR 5 4.372 -6.427 -11.175 1025 3HG2 THR 5 3HG2 THR 5 4.903 -5.923 -9.570 1026 H ALA 6 H ALA 6 8.765 -6.898 -8.945 1027 HA ALA 6 HA ALA 6 9.748 -9.720 -8.863 1028 1HB ALA 6 1HB ALA 6 10.879 -7.795 -10.444 1029 2HB ALA 6 2HB ALA 6 11.777 -9.149 -9.760 1030 3HB ALA 6 3HB ALA 6 11.796 -7.581 -8.953 1031 H GLU 7 H GLU 7 8.239 -8.565 -6.776 1032 HA GLU 7 HA GLU 7 8.327 -8.092 -4.467 1033 1HB GLU 7 1HB GLU 7 10.215 -10.028 -5.123 1034 2HB GLU 7 2HB GLU 7 11.153 -8.861 -4.191 1035 1HG GLU 7 1HG GLU 7 9.986 -9.263 -2.255 1036 2HG GLU 7 2HG GLU 7 8.477 -9.584 -3.109 1037 H VAL 8 H VAL 8 8.812 -5.851 -6.126 1038 HA VAL 8 HA VAL 8 11.245 -4.428 -5.592 1039 HB VAL 8 HB VAL 8 8.427 -3.367 -6.033 1040 1HG1 VAL 8 1HG1 VAL 8 11.107 -2.023 -6.499 1041 2HG1 VAL 8 2HG1 VAL 8 10.045 -1.682 -5.134 1042 3HG1 VAL 8 3HG1 VAL 8 9.516 -1.313 -6.775 1043 1HG2 VAL 8 1HG2 VAL 8 10.547 -4.487 -7.798 1044 2HG2 VAL 8 2HG2 VAL 8 9.702 -3.058 -8.393 1045 3HG2 VAL 8 3HG2 VAL 8 8.794 -4.516 -7.990 1046 H SER 9 H SER 9 8.175 -4.555 -3.727 1047 HA SER 9 HA SER 9 8.833 -2.586 -1.754 1048 1HB SER 9 1HB SER 9 6.618 -3.387 -1.707 1049 2HB SER 9 2HB SER 9 7.124 -5.071 -1.809 1050 HG SER 9 HG SER 9 6.393 -4.176 0.318 1051 H SER 10 H SER 10 9.827 -6.020 -2.020 1052 HA SER 10 HA SER 10 10.982 -6.216 0.633 1053 1HB SER 10 1HB SER 10 10.515 -8.219 -0.641 1054 2HB SER 10 2HB SER 10 11.486 -7.651 -1.996 1055 HG SER 10 HG SER 10 12.788 -9.019 -0.886 1056 H ILE 11 H ILE 11 12.585 -5.700 -2.574 1057 HA ILE 11 HA ILE 11 15.179 -5.134 -1.477 1058 HB ILE 11 HB ILE 11 14.708 -5.641 -3.870 1059 1HG1 ILE 11 1HG1 ILE 11 15.976 -2.905 -3.640 1060 2HG1 ILE 11 2HG1 ILE 11 16.775 -4.370 -3.069 1061 1HG2 ILE 11 1HG2 ILE 11 13.938 -3.695 -5.301 1062 2HG2 ILE 11 2HG2 ILE 11 13.461 -2.883 -3.812 1063 3HG2 ILE 11 3HG2 ILE 11 12.695 -4.399 -4.273 1064 1HD1 ILE 11 1HD1 ILE 11 15.646 -4.475 -5.818 1065 2HD1 ILE 11 2HD1 ILE 11 17.143 -5.161 -5.189 1066 3HD1 ILE 11 3HD1 ILE 11 17.061 -3.446 -5.591 1067 H LEU 12 H LEU 12 12.334 -3.011 -1.925 1068 HA LEU 12 HA LEU 12 13.703 -0.505 -1.479 1069 1HB LEU 12 1HB LEU 12 11.352 -0.857 -2.373 1070 2HB LEU 12 2HB LEU 12 10.851 -1.224 -0.722 1071 HG LEU 12 HG LEU 12 12.102 1.078 -0.221 1072 1HD1 LEU 12 1HD1 LEU 12 12.866 1.845 -2.256 1073 2HD1 LEU 12 2HD1 LEU 12 11.245 2.540 -2.297 1074 3HD1 LEU 12 3HD1 LEU 12 11.583 1.039 -3.160 1075 1HD2 LEU 12 1HD2 LEU 12 9.946 2.142 -0.232 1076 2HD2 LEU 12 2HD2 LEU 12 9.661 0.438 0.119 1077 3HD2 LEU 12 3HD2 LEU 12 9.355 1.067 -1.500 1078 H GLU 13 H GLU 13 12.268 -2.906 0.781 1079 HA GLU 13 HA GLU 13 12.442 -1.351 3.179 1080 1HB GLU 13 1HB GLU 13 11.391 -3.669 2.775 1081 2HB GLU 13 2HB GLU 13 13.016 -4.321 2.992 1082 1HG GLU 13 1HG GLU 13 12.900 -2.737 5.167 1083 2HG GLU 13 2HG GLU 13 11.182 -3.097 4.991 1084 H GLU 14 H GLU 14 14.936 -3.357 1.544 1085 HA GLU 14 HA GLU 14 16.947 -3.042 3.614 1086 1HB GLU 14 1HB GLU 14 16.782 -4.647 1.526 1087 2HB GLU 14 2HB GLU 14 17.613 -3.336 0.689 1088 1HG GLU 14 1HG GLU 14 19.519 -3.500 2.057 1089 2HG GLU 14 2HG GLU 14 18.649 -4.369 3.322 1090 H ARG 15 H ARG 15 16.169 -1.132 0.672 1091 HA ARG 15 HA ARG 15 18.427 0.669 0.883 1092 1HB ARG 15 1HB ARG 15 16.598 0.213 -1.008 1093 2HB ARG 15 2HB ARG 15 15.793 1.577 -0.231 1094 1HG ARG 15 1HG ARG 15 18.186 2.682 -0.374 1095 2HG ARG 15 2HG ARG 15 18.429 1.499 -1.661 1096 1HD ARG 15 1HD ARG 15 16.121 2.359 -2.558 1097 2HD ARG 15 2HD ARG 15 16.461 3.777 -1.547 1098 HE ARG 15 HE ARG 15 18.279 2.795 -3.713 1099 1HH1 ARG 15 1HH2 ARG 15 19.112 4.606 -1.275 1100 2HH1 ARG 15 2HH2 ARG 15 19.166 6.143 -2.073 1101 1HH2 ARG 15 1HH1 ARG 15 17.467 5.039 -4.887 1102 2HH2 ARG 15 2HH1 ARG 15 18.234 6.389 -4.117 1103 H ILE 16 H ILE 16 15.145 0.743 2.337 1104 HA ILE 16 HA ILE 16 15.695 3.409 3.519 1105 HB ILE 16 HB ILE 16 13.379 3.272 4.303 1106 1HG1 ILE 16 1HG1 ILE 16 13.154 0.515 3.084 1107 2HG1 ILE 16 2HG1 ILE 16 13.564 0.728 4.784 1108 1HG2 ILE 16 1HG2 ILE 16 13.820 2.298 1.472 1109 2HG2 ILE 16 2HG2 ILE 16 13.626 3.964 2.016 1110 3HG2 ILE 16 3HG2 ILE 16 12.259 2.852 2.076 1111 1HD1 ILE 16 1HD1 ILE 16 11.262 0.628 4.949 1112 2HD1 ILE 16 2HD1 ILE 16 11.013 1.348 3.359 1113 3HD1 ILE 16 3HD1 ILE 16 11.473 2.365 4.725 1114 H LEU 17 H LEU 17 15.615 -0.005 4.581 1115 HA LEU 17 HA LEU 17 16.381 0.941 7.325 1116 1HB LEU 17 1HB LEU 17 14.670 -1.275 6.246 1117 2HB LEU 17 2HB LEU 17 15.489 -1.516 7.790 1118 HG LEU 17 HG LEU 17 13.817 0.935 7.192 1119 1HD1 LEU 17 1HD1 LEU 17 12.947 -1.512 8.752 1120 2HD1 LEU 17 2HD1 LEU 17 12.515 -1.246 7.062 1121 3HD1 LEU 17 3HD1 LEU 17 11.965 -0.117 8.302 1122 1HD2 LEU 17 1HD2 LEU 17 13.740 0.838 9.780 1123 2HD2 LEU 17 2HD2 LEU 17 15.253 1.346 9.030 1124 3HD2 LEU 17 3HD2 LEU 17 15.081 -0.299 9.642 1125 H GLY 18 H GLY 18 18.606 0.638 7.581 1126 1HA GLY 18 1HA GLY 18 20.098 -1.505 7.889 1127 2HA GLY 18 2HA GLY 18 19.883 -1.636 6.142 1128 H ALA 19 H ALA 19 20.018 1.152 5.465 1129 HA ALA 19 HA ALA 19 22.703 1.998 6.468 1130 1HB ALA 19 1HB ALA 19 22.464 0.546 4.217 1131 2HB ALA 19 2HB ALA 19 23.659 1.834 4.369 1132 3HB ALA 19 3HB ALA 19 22.133 2.140 3.539 1133 H ASP 20 H ASP 20 20.583 3.389 7.401 1134 HA ASP 20 HA ASP 20 20.251 5.728 5.546 1135 1HB ASP 20 1HB ASP 20 18.490 4.260 7.466 1136 2HB ASP 20 2HB ASP 20 18.222 5.993 7.271 1137 H THR 21 H THR 21 21.890 7.171 6.266 1138 HA THR 21 HA THR 21 21.869 7.819 9.199 1139 HB THR 21 HB THR 21 24.223 7.990 7.301 1140 HG1 THR 21 HG1 THR 21 24.778 5.970 7.962 1141 1HG2 THR 21 1HG2 THR 21 23.903 7.987 10.310 1142 2HG2 THR 21 2HG2 THR 21 24.523 9.293 9.300 1143 3HG2 THR 21 3HG2 THR 21 25.460 7.811 9.502 1144 H SER 22 H SER 22 20.278 9.580 8.638 1145 HA SER 22 HA SER 22 21.606 11.883 7.237 1146 1HB SER 22 1HB SER 22 19.439 10.500 6.389 1147 2HB SER 22 2HB SER 22 18.641 11.683 7.422 1148 HG SER 22 HG SER 22 18.840 12.599 5.417 1149 H VAL 23 H VAL 23 21.540 13.889 8.356 1150 HA VAL 23 HA VAL 23 20.168 13.853 11.028 1151 HB VAL 23 HB VAL 23 22.687 15.269 10.085 1152 1HG1 VAL 23 1HG1 VAL 23 21.392 16.484 11.850 1153 2HG1 VAL 23 2HG1 VAL 23 22.967 15.926 12.415 1154 3HG1 VAL 23 3HG1 VAL 23 21.505 15.051 12.871 1155 1HG2 VAL 23 1HG2 VAL 23 23.305 13.018 10.325 1156 2HG2 VAL 23 2HG2 VAL 23 22.156 12.742 11.634 1157 3HG2 VAL 23 3HG2 VAL 23 23.629 13.665 11.933 1158 H ASP 24 H ASP 24 18.225 14.996 10.550 1159 HA ASP 24 HA ASP 24 18.571 17.689 9.264 1160 1HB ASP 24 1HB ASP 24 16.611 15.454 8.961 1161 2HB ASP 24 2HB ASP 24 15.995 17.100 8.799 1162 H LEU 25 H LEU 25 16.185 15.918 11.343 1163 HA LEU 25 HA LEU 25 16.025 18.393 13.037 1164 1HB LEU 25 1HB LEU 25 13.906 16.373 12.232 1165 2HB LEU 25 2HB LEU 25 13.636 17.716 13.343 1166 HG LEU 25 HG LEU 25 14.788 18.248 10.619 1167 1HD1 LEU 25 1HD1 LEU 25 11.836 17.984 11.272 1168 2HD1 LEU 25 2HD1 LEU 25 12.758 16.869 10.263 1169 3HD1 LEU 25 3HD1 LEU 25 12.510 18.536 9.740 1170 1HD2 LEU 25 1HD2 LEU 25 13.200 19.758 12.700 1171 2HD2 LEU 25 2HD2 LEU 25 13.358 20.355 11.048 1172 3HD2 LEU 25 3HD2 LEU 25 14.794 20.143 12.050 Start of MODEL 14 1 1H PHE 1 1H PHE 1 -8.110 -33.880 19.451 2 2H PHE 1 2H PHE 1 -7.691 -35.300 18.619 3 3H PHE 1 3H PHE 1 -9.307 -35.016 19.062 4 HA PHE 1 HA PHE 1 -9.076 -34.565 16.721 5 1HB PHE 1 1HB PHE 1 -10.353 -33.119 18.513 6 2HB PHE 1 2HB PHE 1 -9.140 -31.902 18.117 7 HD1 PHE 1 HD1 PHE 1 -12.030 -33.804 16.893 8 HD2 PHE 1 HD2 PHE 1 -8.990 -30.953 15.850 9 HE1 PHE 1 HE1 PHE 1 -13.286 -33.216 14.836 10 HE2 PHE 1 HE2 PHE 1 -10.246 -30.367 13.793 11 HZ PHE 1 HZ PHE 1 -12.394 -31.499 13.287 12 H ALA 2 H ALA 2 -6.654 -35.061 16.300 13 HA ALA 2 HA ALA 2 -5.256 -32.509 15.633 14 1HB ALA 2 1HB ALA 2 -3.274 -33.210 16.776 15 2HB ALA 2 2HB ALA 2 -3.897 -34.847 16.993 16 3HB ALA 2 3HB ALA 2 -4.597 -33.509 17.904 17 H LYS 3 H LYS 3 -6.631 -34.396 13.864 18 HA LYS 3 HA LYS 3 -4.289 -35.267 12.230 19 1HB LYS 3 1HB LYS 3 -5.643 -37.000 13.835 20 2HB LYS 3 2HB LYS 3 -6.615 -37.110 12.366 21 1HG LYS 3 1HG LYS 3 -3.650 -37.200 12.049 22 2HG LYS 3 2HG LYS 3 -4.434 -38.625 12.732 23 1HD LYS 3 1HD LYS 3 -5.685 -37.402 10.315 24 2HD LYS 3 2HD LYS 3 -4.179 -38.290 10.086 25 1HE LYS 3 1HE LYS 3 -5.133 -40.288 11.103 26 2HE LYS 3 2HE LYS 3 -6.619 -39.407 11.514 27 1HZ LYS 3 1HZ LYS 3 -6.718 -40.682 9.375 28 2HZ LYS 3 2HZ LYS 3 -5.557 -39.611 8.750 29 3HZ LYS 3 3HZ LYS 3 -7.078 -39.031 9.235 30 H LEU 4 H LEU 4 -4.651 -33.974 10.391 31 HA LEU 4 HA LEU 4 -7.366 -34.166 9.135 32 1HB LEU 4 1HB LEU 4 -6.478 -31.986 10.484 33 2HB LEU 4 2HB LEU 4 -5.826 -31.635 8.883 34 HG LEU 4 HG LEU 4 -8.270 -32.354 8.117 35 1HD1 LEU 4 1HD1 LEU 4 -8.494 -31.676 11.036 36 2HD1 LEU 4 2HD1 LEU 4 -9.322 -32.935 10.120 37 3HD1 LEU 4 3HD1 LEU 4 -9.808 -31.250 9.940 38 1HD2 LEU 4 1HD2 LEU 4 -7.010 -30.088 7.981 39 2HD2 LEU 4 2HD2 LEU 4 -7.943 -29.648 9.412 40 3HD2 LEU 4 3HD2 LEU 4 -8.772 -30.053 7.909 41 H VAL 5 H VAL 5 -7.269 -33.693 6.728 42 HA VAL 5 HA VAL 5 -4.529 -34.024 5.570 43 HB VAL 5 HB VAL 5 -5.644 -36.215 5.787 44 1HG1 VAL 5 1HG1 VAL 5 -7.960 -35.640 5.827 45 2HG1 VAL 5 2HG1 VAL 5 -7.726 -36.571 4.349 46 3HG1 VAL 5 3HG1 VAL 5 -7.856 -34.815 4.272 47 1HG2 VAL 5 1HG2 VAL 5 -4.357 -35.334 3.617 48 2HG2 VAL 5 2HG2 VAL 5 -5.932 -35.614 2.875 49 3HG2 VAL 5 3HG2 VAL 5 -5.083 -36.940 3.667 50 H ARG 6 H ARG 6 -5.815 -31.523 5.630 51 HA ARG 6 HA ARG 6 -6.682 -31.206 2.774 52 1HB ARG 6 1HB ARG 6 -7.892 -30.356 5.367 53 2HB ARG 6 2HB ARG 6 -8.019 -29.229 4.016 54 1HG ARG 6 1HG ARG 6 -9.912 -30.495 3.629 55 2HG ARG 6 2HG ARG 6 -8.739 -31.443 2.714 56 1HD ARG 6 1HD ARG 6 -9.612 -33.152 4.005 57 2HD ARG 6 2HD ARG 6 -8.409 -32.560 5.167 58 HE ARG 6 HE ARG 6 -10.167 -31.591 6.430 59 1HH1 ARG 6 1HH1 ARG 6 -11.768 -33.844 4.992 60 2HH1 ARG 6 2HH1 ARG 6 -13.186 -32.959 4.538 61 1HH2 ARG 6 1HH2 ARG 6 -11.753 -29.854 5.105 62 2HH2 ARG 6 2HH2 ARG 6 -13.177 -30.700 4.601 63 HA PRO 7 HA PRO 7 -3.468 -28.168 2.740 64 1HB PRO 7 1HB PRO 7 -4.270 -26.628 0.625 65 2HB PRO 7 2HB PRO 7 -3.551 -28.239 0.430 66 1HG PRO 7 1HG PRO 7 -6.405 -27.412 0.306 67 2HG PRO 7 2HG PRO 7 -5.533 -28.611 -0.661 68 1HD PRO 7 1HD PRO 7 -7.187 -29.249 1.419 69 2HD PRO 7 2HD PRO 7 -5.829 -30.266 0.887 70 HA PRO 8 HA PRO 8 -5.547 -24.934 5.063 71 1HB PRO 8 1HB PRO 8 -3.330 -23.524 5.816 72 2HB PRO 8 2HB PRO 8 -3.817 -25.043 6.596 73 1HG PRO 8 1HG PRO 8 -1.699 -24.549 4.574 74 2HG PRO 8 2HG PRO 8 -1.715 -25.667 5.945 75 1HD PRO 8 1HD PRO 8 -2.145 -26.417 3.343 76 2HD PRO 8 2HD PRO 8 -2.742 -27.314 4.755 77 H VAL 9 H VAL 9 -5.205 -22.313 5.071 78 HA VAL 9 HA VAL 9 -4.315 -21.325 2.416 79 HB VAL 9 HB VAL 9 -6.560 -20.306 2.020 80 1HG1 VAL 9 1HG1 VAL 9 -7.571 -22.298 1.194 81 2HG1 VAL 9 2HG1 VAL 9 -6.823 -23.288 2.448 82 3HG1 VAL 9 3HG1 VAL 9 -5.834 -22.601 1.158 83 1HG2 VAL 9 1HG2 VAL 9 -6.984 -21.171 4.739 84 2HG2 VAL 9 2HG2 VAL 9 -8.170 -21.955 3.700 85 3HG2 VAL 9 3HG2 VAL 9 -8.039 -20.199 3.719 86 H GLN 10 H GLN 10 -2.898 -19.737 3.221 87 HA GLN 10 HA GLN 10 -3.999 -17.865 5.295 88 1HB GLN 10 1HB GLN 10 -1.176 -18.763 4.634 89 2HB GLN 10 2HB GLN 10 -1.573 -17.551 5.854 90 1HG GLN 10 1HG GLN 10 -3.162 -19.372 6.818 91 2HG GLN 10 2HG GLN 10 -2.200 -20.495 5.854 92 1HE2 GLN 10 1HE2 GLN 10 -2.362 -19.190 8.946 93 2HE2 GLN 10 2HE2 GLN 10 -0.724 -19.327 9.373 94 H ILE 11 H ILE 11 -1.587 -17.909 2.581 95 HA ILE 11 HA ILE 11 -2.542 -15.151 1.903 96 HB ILE 11 HB ILE 11 -0.323 -15.339 3.019 97 1HG1 ILE 11 1HG1 ILE 11 0.857 -14.198 0.854 98 2HG1 ILE 11 2HG1 ILE 11 -0.836 -14.143 0.358 99 1HG2 ILE 11 1HG2 ILE 11 0.359 -16.883 0.504 100 2HG2 ILE 11 2HG2 ILE 11 0.479 -17.447 2.170 101 3HG2 ILE 11 3HG2 ILE 11 1.572 -16.195 1.583 102 1HD1 ILE 11 1HD1 ILE 11 -1.379 -12.594 1.934 103 2HD1 ILE 11 2HD1 ILE 11 0.353 -12.265 1.960 104 3HD1 ILE 11 3HD1 ILE 11 -0.359 -13.341 3.163 105 H TYR 12 H TYR 12 -2.802 -14.703 -0.356 106 HA TYR 12 HA TYR 12 -2.223 -16.867 -2.315 107 1HB TYR 12 1HB TYR 12 -4.882 -16.343 -2.857 108 2HB TYR 12 2HB TYR 12 -4.324 -17.716 -1.909 109 HD1 TYR 12 HD1 TYR 12 -6.044 -14.473 -1.803 110 HD2 TYR 12 HD2 TYR 12 -4.311 -17.600 0.574 111 HE1 TYR 12 HE1 TYR 12 -7.168 -13.573 0.218 112 HE2 TYR 12 HE2 TYR 12 -5.402 -16.697 2.587 113 HH TYR 12 HH TYR 12 -6.319 -14.220 3.238 114 H GLY 13 H GLY 13 -0.860 -15.124 -3.306 115 1HA GLY 13 1HA GLY 13 -1.520 -13.883 -5.514 116 2HA GLY 13 2HA GLY 13 -2.420 -12.844 -4.408 117 H ILE 14 H ILE 14 0.523 -13.169 -5.989 118 HA ILE 14 HA ILE 14 2.543 -12.374 -4.202 119 HB ILE 14 HB ILE 14 2.561 -12.831 -6.758 120 1HG1 ILE 14 1HG1 ILE 14 4.580 -12.344 -5.434 121 2HG1 ILE 14 2HG1 ILE 14 4.680 -11.617 -7.035 122 1HG2 ILE 14 1HG2 ILE 14 2.161 -9.826 -6.805 123 2HG2 ILE 14 2HG2 ILE 14 1.044 -11.031 -7.443 124 3HG2 ILE 14 3HG2 ILE 14 2.628 -10.817 -8.187 125 1HD1 ILE 14 1HD1 ILE 14 5.316 -9.788 -5.798 126 2HD1 ILE 14 2HD1 ILE 14 4.423 -10.311 -4.371 127 3HD1 ILE 14 3HD1 ILE 14 3.570 -9.551 -5.714 128 H GLU 15 H GLU 15 -0.094 -10.330 -5.487 129 HA GLU 15 HA GLU 15 0.879 -7.759 -4.718 130 1HB GLU 15 1HB GLU 15 -1.495 -8.796 -5.745 131 2HB GLU 15 2HB GLU 15 -1.987 -8.189 -4.166 132 1HG GLU 15 1HG GLU 15 -0.775 -6.026 -4.761 133 2HG GLU 15 2HG GLU 15 -0.647 -6.655 -6.403 134 H GLY 16 H GLY 16 -0.640 -10.324 -2.715 135 1HA GLY 16 1HA GLY 16 -1.048 -8.789 -0.354 136 2HA GLY 16 2HA GLY 16 -0.760 -10.530 -0.383 137 H ARG 17 H ARG 17 1.895 -10.412 -1.607 138 HA ARG 17 HA ARG 17 3.554 -10.134 0.705 139 1HB ARG 17 1HB ARG 17 4.144 -10.057 -2.271 140 2HB ARG 17 2HB ARG 17 5.419 -10.064 -1.051 141 1HG ARG 17 1HG ARG 17 4.395 -12.163 -0.104 142 2HG ARG 17 2HG ARG 17 3.303 -12.188 -1.489 143 1HD ARG 17 1HD ARG 17 5.550 -11.976 -2.878 144 2HD ARG 17 2HD ARG 17 6.263 -12.672 -1.410 145 HE ARG 17 HE ARG 17 3.956 -13.948 -2.835 146 1HH1 ARG 17 1HH2 ARG 17 7.126 -14.482 -2.903 147 2HH1 ARG 17 2HH2 ARG 17 7.139 -16.000 -2.068 148 1HH2 ARG 17 1HH1 ARG 17 3.864 -15.720 -0.964 149 2HH2 ARG 17 2HH1 ARG 17 5.292 -16.701 -0.970 150 H TYR 18 H TYR 18 2.548 -7.657 -1.667 151 HA TYR 18 HA TYR 18 4.522 -5.666 -1.150 152 1HB TYR 18 1HB TYR 18 1.611 -5.649 -1.900 153 2HB TYR 18 2HB TYR 18 2.361 -4.121 -1.464 154 HD1 TYR 18 HD1 TYR 18 3.835 -7.063 -3.281 155 HD2 TYR 18 HD2 TYR 18 2.594 -2.954 -3.474 156 HE1 TYR 18 HE1 TYR 18 4.792 -6.882 -5.558 157 HE2 TYR 18 HE2 TYR 18 3.554 -2.771 -5.748 158 HH TYR 18 HH TYR 18 5.723 -4.630 -6.984 159 H ALA 19 H ALA 19 1.610 -6.551 0.747 160 HA ALA 19 HA ALA 19 1.963 -4.404 2.702 161 1HB ALA 19 1HB ALA 19 0.265 -6.842 2.375 162 2HB ALA 19 2HB ALA 19 -0.208 -5.192 2.782 163 3HB ALA 19 3HB ALA 19 0.480 -6.243 4.020 164 H THR 20 H THR 20 2.921 -7.869 2.559 165 HA THR 20 HA THR 20 4.076 -7.792 5.232 166 HB THR 20 HB THR 20 5.220 -9.930 3.795 167 HG1 THR 20 HG1 THR 20 3.412 -10.762 2.716 168 1HG2 THR 20 1HG2 THR 20 2.737 -9.718 5.522 169 2HG2 THR 20 2HG2 THR 20 4.378 -10.072 6.071 170 3HG2 THR 20 3HG2 THR 20 3.509 -11.241 5.079 171 H ALA 21 H ALA 21 5.356 -7.244 1.954 172 HA ALA 21 HA ALA 21 8.131 -7.172 2.901 173 1HB ALA 21 1HB ALA 21 8.070 -7.610 0.624 174 2HB ALA 21 2HB ALA 21 8.233 -5.856 0.554 175 3HB ALA 21 3HB ALA 21 6.648 -6.600 0.365 176 H LEU 22 H LEU 22 5.465 -4.905 3.029 177 HA LEU 22 HA LEU 22 7.371 -2.620 3.393 178 1HB LEU 22 1HB LEU 22 5.390 -2.330 1.901 179 2HB LEU 22 2HB LEU 22 4.333 -2.723 3.258 180 HG LEU 22 HG LEU 22 5.868 -0.756 4.369 181 1HD1 LEU 22 1HD1 LEU 22 5.597 1.021 2.370 182 2HD1 LEU 22 2HD1 LEU 22 5.906 -0.426 1.410 183 3HD1 LEU 22 3HD1 LEU 22 7.080 0.098 2.617 184 1HD2 LEU 22 1HD2 LEU 22 3.842 0.733 3.353 185 2HD2 LEU 22 2HD2 LEU 22 3.629 -0.401 4.688 186 3HD2 LEU 22 3HD2 LEU 22 3.213 -0.886 3.045 187 H TYR 23 H TYR 23 4.654 -4.312 5.052 188 HA TYR 23 HA TYR 23 5.197 -2.896 7.533 189 1HB TYR 23 1HB TYR 23 3.151 -3.721 8.036 190 2HB TYR 23 2HB TYR 23 3.127 -4.492 6.462 191 HD1 TYR 23 HD1 TYR 23 4.434 -5.043 9.928 192 HD2 TYR 23 HD2 TYR 23 2.881 -6.769 6.332 193 HE1 TYR 23 HE1 TYR 23 4.441 -7.259 11.009 194 HE2 TYR 23 HE2 TYR 23 2.912 -8.994 7.375 195 HH TYR 23 HH TYR 23 4.601 -9.836 9.903 196 H SER 24 H SER 24 6.740 -5.628 5.924 197 HA SER 24 HA SER 24 7.664 -7.194 8.103 198 1HB SER 24 1HB SER 24 8.419 -7.993 6.056 199 2HB SER 24 2HB SER 24 8.735 -6.378 5.429 200 HG SER 24 HG SER 24 10.617 -7.732 5.986 201 H ALA 25 H ALA 25 8.771 -3.974 7.000 202 HA ALA 25 HA ALA 25 10.871 -3.806 9.068 203 1HB ALA 25 1HB ALA 25 11.206 -2.549 7.029 204 2HB ALA 25 2HB ALA 25 10.843 -1.360 8.279 205 3HB ALA 25 3HB ALA 25 9.593 -1.841 7.132 206 H ALA 26 H ALA 26 7.499 -2.640 8.549 207 HA ALA 26 HA ALA 26 7.258 -1.050 10.929 208 1HB ALA 26 1HB ALA 26 5.648 -1.486 8.870 209 2HB ALA 26 2HB ALA 26 4.958 -1.081 10.441 210 3HB ALA 26 3HB ALA 26 4.995 -2.759 9.902 211 H SER 27 H SER 27 6.903 -4.592 10.409 212 HA SER 27 HA SER 27 5.809 -5.302 12.945 213 1HB SER 27 1HB SER 27 6.412 -7.487 12.343 214 2HB SER 27 2HB SER 27 6.447 -6.690 10.773 215 HG SER 27 HG SER 27 8.362 -7.799 11.032 216 H LYS 28 H LYS 28 9.229 -4.745 11.987 217 HA LYS 28 HA LYS 28 10.402 -5.466 14.531 218 1HB LYS 28 1HB LYS 28 11.194 -3.870 12.122 219 2HB LYS 28 2HB LYS 28 12.139 -3.630 13.591 220 1HG LYS 28 1HG LYS 28 13.270 -5.406 12.570 221 2HG LYS 28 2HG LYS 28 12.186 -6.247 13.679 222 1HD LYS 28 1HD LYS 28 10.535 -6.473 11.806 223 2HD LYS 28 2HD LYS 28 11.735 -5.776 10.718 224 1HE LYS 28 1HE LYS 28 13.212 -7.746 11.929 225 2HE LYS 28 2HE LYS 28 11.606 -8.497 11.862 226 1HZ LYS 28 1HZ LYS 28 13.107 -7.264 9.617 227 2HZ LYS 28 2HZ LYS 28 11.471 -7.707 9.519 228 3HZ LYS 28 3HZ LYS 28 12.659 -8.892 9.778 229 H GLN 29 H GLN 29 9.058 -2.375 13.280 230 HA GLN 29 HA GLN 29 9.674 -1.011 15.843 231 1HB GLN 29 1HB GLN 29 8.472 -0.199 13.194 232 2HB GLN 29 2HB GLN 29 8.481 0.896 14.576 233 1HG GLN 29 1HG GLN 29 10.870 0.890 14.687 234 2HG GLN 29 2HG GLN 29 10.985 -0.463 13.562 235 1HE2 GLN 29 1HE2 GLN 29 11.028 0.034 11.296 236 2HE2 GLN 29 2HE2 GLN 29 10.837 1.608 10.692 237 H ASN 30 H ASN 30 7.114 -3.027 14.787 238 HA ASN 30 HA ASN 30 5.043 -3.507 15.758 239 1HB ASN 30 1HB ASN 30 6.545 -2.605 17.819 240 2HB ASN 30 2HB ASN 30 5.325 -1.331 17.782 241 1HD2 ASN 30 1HD2 ASN 30 3.545 -1.812 19.120 242 2HD2 ASN 30 2HD2 ASN 30 2.974 -3.380 19.430 243 H LYS 31 H LYS 31 5.231 -1.705 13.550 244 HA LYS 31 HA LYS 31 3.194 0.376 14.237 245 1HB LYS 31 1HB LYS 31 5.239 0.083 12.026 246 2HB LYS 31 2HB LYS 31 4.013 1.352 12.035 247 1HG LYS 31 1HG LYS 31 4.842 1.963 14.366 248 2HG LYS 31 2HG LYS 31 6.207 0.888 14.066 249 1HD LYS 31 1HD LYS 31 6.786 2.195 12.047 250 2HD LYS 31 2HD LYS 31 5.437 3.283 12.374 251 1HE LYS 31 1HE LYS 31 6.468 4.206 14.270 252 2HE LYS 31 2HE LYS 31 7.527 2.799 14.495 253 1HZ LYS 31 1HZ LYS 31 8.715 4.667 13.475 254 2HZ LYS 31 2HZ LYS 31 7.619 4.660 12.177 255 3HZ LYS 31 3HZ LYS 31 8.645 3.330 12.434 256 H LEU 32 H LEU 32 2.918 -2.737 13.287 257 HA LEU 32 HA LEU 32 1.659 -2.870 10.764 258 1HB LEU 32 1HB LEU 32 1.354 -4.279 13.388 259 2HB LEU 32 2HB LEU 32 0.161 -4.604 12.130 260 HG LEU 32 HG LEU 32 2.852 -4.570 11.025 261 1HD1 LEU 32 1HD1 LEU 32 2.693 -7.015 12.587 262 2HD1 LEU 32 2HD1 LEU 32 2.822 -5.584 13.609 263 3HD1 LEU 32 3HD1 LEU 32 4.035 -5.894 12.370 264 1HD2 LEU 32 1HD2 LEU 32 0.364 -6.087 10.849 265 2HD2 LEU 32 2HD2 LEU 32 1.769 -7.145 10.814 266 3HD2 LEU 32 3HD2 LEU 32 1.620 -5.847 9.631 267 H GLU 33 H GLU 33 0.344 -1.533 13.817 268 HA GLU 33 HA GLU 33 -2.395 -1.274 12.841 269 1HB GLU 33 1HB GLU 33 -1.214 -1.033 15.267 270 2HB GLU 33 2HB GLU 33 -1.284 0.674 14.822 271 1HG GLU 33 1HG GLU 33 -3.762 0.158 14.187 272 2HG GLU 33 2HG GLU 33 -3.552 -1.270 15.202 273 H GLN 34 H GLN 34 0.455 0.918 12.931 274 HA GLN 34 HA GLN 34 -0.848 3.185 11.689 275 1HB GLN 34 1HB GLN 34 2.012 2.261 11.971 276 2HB GLN 34 2HB GLN 34 1.612 3.741 11.099 277 1HG GLN 34 1HG GLN 34 0.782 3.144 13.956 278 2HG GLN 34 2HG GLN 34 2.142 4.170 13.498 279 1HE2 GLN 34 1HE2 GLN 34 1.659 6.311 12.590 280 2HE2 GLN 34 2HE2 GLN 34 0.084 6.941 12.604 281 H VAL 35 H VAL 35 0.466 0.189 10.324 282 HA VAL 35 HA VAL 35 0.307 1.361 7.581 283 HB VAL 35 HB VAL 35 1.145 -1.474 8.188 284 1HG1 VAL 35 1HG1 VAL 35 2.149 0.634 6.258 285 2HG1 VAL 35 2HG1 VAL 35 1.018 -0.662 5.865 286 3HG1 VAL 35 3HG1 VAL 35 2.679 -1.047 6.317 287 1HG2 VAL 35 1HG2 VAL 35 2.661 -0.680 9.728 288 2HG2 VAL 35 2HG2 VAL 35 2.545 0.976 9.131 289 3HG2 VAL 35 3HG2 VAL 35 3.555 -0.195 8.288 290 H GLU 36 H GLU 36 -1.108 -1.289 9.562 291 HA GLU 36 HA GLU 36 -2.751 -2.406 7.465 292 1HB GLU 36 1HB GLU 36 -2.110 -3.326 9.814 293 2HB GLU 36 2HB GLU 36 -3.488 -2.392 10.394 294 1HG GLU 36 1HG GLU 36 -4.942 -3.558 8.749 295 2HG GLU 36 2HG GLU 36 -3.561 -4.536 8.251 296 H LYS 37 H LYS 37 -3.304 0.305 9.745 297 HA LYS 37 HA LYS 37 -6.144 0.525 8.945 298 1HB LYS 37 1HB LYS 37 -4.274 1.931 10.836 299 2HB LYS 37 2HB LYS 37 -5.803 2.699 10.406 300 1HG LYS 37 1HG LYS 37 -6.841 0.365 10.974 301 2HG LYS 37 2HG LYS 37 -5.336 0.107 11.858 302 1HD LYS 37 1HD LYS 37 -5.833 1.694 13.442 303 2HD LYS 37 2HD LYS 37 -6.718 2.706 12.302 304 1HE LYS 37 1HE LYS 37 -8.330 0.501 12.355 305 2HE LYS 37 2HE LYS 37 -7.713 0.510 14.020 306 1HZ LYS 37 1HZ LYS 37 -9.700 1.963 13.638 307 2HZ LYS 37 2HZ LYS 37 -8.724 2.938 12.645 308 3HZ LYS 37 3HZ LYS 37 -8.354 2.761 14.293 309 H GLU 38 H GLU 38 -3.080 2.301 8.318 310 HA GLU 38 HA GLU 38 -4.363 4.432 6.813 311 1HB GLU 38 1HB GLU 38 -1.532 3.319 6.785 312 2HB GLU 38 2HB GLU 38 -2.014 4.839 6.045 313 1HG GLU 38 1HG GLU 38 -2.586 4.295 8.951 314 2HG GLU 38 2HG GLU 38 -1.023 4.920 8.434 315 H LEU 39 H LEU 39 -2.890 1.282 5.891 316 HA LEU 39 HA LEU 39 -3.072 1.539 3.050 317 1HB LEU 39 1HB LEU 39 -2.970 -0.670 5.035 318 2HB LEU 39 2HB LEU 39 -3.655 -1.105 3.471 319 HG LEU 39 HG LEU 39 -1.001 0.312 3.831 320 1HD1 LEU 39 1HD1 LEU 39 0.050 -1.814 3.367 321 2HD1 LEU 39 2HD1 LEU 39 -1.513 -2.580 3.087 322 3HD1 LEU 39 3HD1 LEU 39 -1.067 -2.053 4.710 323 1HD2 LEU 39 1HD2 LEU 39 -1.529 0.816 1.655 324 2HD2 LEU 39 2HD2 LEU 39 -2.685 -0.509 1.522 325 3HD2 LEU 39 3HD2 LEU 39 -0.957 -0.828 1.371 326 H LEU 40 H LEU 40 -5.606 0.675 5.446 327 HA LEU 40 HA LEU 40 -7.648 -0.179 3.641 328 1HB LEU 40 1HB LEU 40 -7.686 -0.230 6.170 329 2HB LEU 40 2HB LEU 40 -8.015 1.503 6.146 330 HG LEU 40 HG LEU 40 -9.752 -0.226 4.451 331 1HD1 LEU 40 1HD1 LEU 40 -10.965 -1.177 6.179 332 2HD1 LEU 40 2HD1 LEU 40 -10.479 0.060 7.339 333 3HD1 LEU 40 3HD1 LEU 40 -9.351 -1.219 6.887 334 1HD2 LEU 40 1HD2 LEU 40 -11.405 1.446 5.671 335 2HD2 LEU 40 2HD2 LEU 40 -10.381 2.013 4.354 336 3HD2 LEU 40 3HD2 LEU 40 -9.917 2.322 6.027 337 H ARG 41 H ARG 41 -6.649 3.145 4.562 338 HA ARG 41 HA ARG 41 -8.806 4.589 3.366 339 1HB ARG 41 1HB ARG 41 -6.802 5.405 4.794 340 2HB ARG 41 2HB ARG 41 -5.913 5.479 3.273 341 1HG ARG 41 1HG ARG 41 -7.102 7.277 2.505 342 2HG ARG 41 2HG ARG 41 -8.602 6.736 3.260 343 1HD ARG 41 1HD ARG 41 -6.369 7.617 5.057 344 2HD ARG 41 2HD ARG 41 -7.320 8.858 4.219 345 HE ARG 41 HE ARG 41 -9.339 7.944 5.276 346 1HH1 ARG 41 1HH2 ARG 41 -7.198 8.397 7.476 347 2HH1 ARG 41 2HH2 ARG 41 -7.434 6.971 8.430 348 1HH2 ARG 41 1HH1 ARG 41 -9.279 5.328 5.998 349 2HH2 ARG 41 2HH1 ARG 41 -8.613 5.234 7.593 350 H VAL 42 H VAL 42 -5.811 3.275 1.875 351 HA VAL 42 HA VAL 42 -6.110 4.453 -0.721 352 HB VAL 42 HB VAL 42 -4.985 1.747 0.103 353 1HG1 VAL 42 1HG1 VAL 42 -5.036 3.237 -2.486 354 2HG1 VAL 42 2HG1 VAL 42 -5.025 1.498 -2.192 355 3HG1 VAL 42 3HG1 VAL 42 -3.532 2.425 -2.049 356 1HG2 VAL 42 1HG2 VAL 42 -3.976 4.554 0.137 357 2HG2 VAL 42 2HG2 VAL 42 -2.837 3.296 -0.340 358 3HG2 VAL 42 3HG2 VAL 42 -3.625 3.221 1.237 359 H GLY 43 H GLY 43 -7.594 1.487 0.662 360 1HA GLY 43 1HA GLY 43 -8.782 0.549 -1.765 361 2HA GLY 43 2HA GLY 43 -9.352 0.162 -0.139 362 H GLN 44 H GLN 44 -10.122 2.631 0.865 363 HA GLN 44 HA GLN 44 -12.701 3.062 -0.306 364 1HB GLN 44 1HB GLN 44 -11.561 3.792 1.999 365 2HB GLN 44 2HB GLN 44 -11.294 5.298 1.119 366 1HG GLN 44 1HG GLN 44 -13.396 5.757 1.928 367 2HG GLN 44 2HG GLN 44 -13.870 4.890 0.466 368 1HE2 GLN 44 1HE2 GLN 44 -14.620 5.006 3.702 369 2HE2 GLN 44 2HE2 GLN 44 -15.070 3.387 3.942 370 H ILE 45 H ILE 45 -9.594 4.775 -0.858 371 HA ILE 45 HA ILE 45 -10.592 6.893 -2.518 372 HB ILE 45 HB ILE 45 -7.949 5.373 -2.508 373 1HG1 ILE 45 1HG1 ILE 45 -8.363 8.154 -1.466 374 2HG1 ILE 45 2HG1 ILE 45 -8.918 6.795 -0.492 375 1HG2 ILE 45 1HG2 ILE 45 -6.975 7.035 -3.860 376 2HG2 ILE 45 2HG2 ILE 45 -8.303 8.162 -3.595 377 3HG2 ILE 45 3HG2 ILE 45 -8.530 6.765 -4.645 378 1HD1 ILE 45 1HD1 ILE 45 -6.354 7.784 -0.474 379 2HD1 ILE 45 2HD1 ILE 45 -6.213 6.435 -1.601 380 3HD1 ILE 45 3HD1 ILE 45 -6.805 6.159 0.038 381 H LEU 46 H LEU 46 -9.641 3.533 -3.360 382 HA LEU 46 HA LEU 46 -10.201 3.928 -6.221 383 1HB LEU 46 1HB LEU 46 -8.652 2.195 -4.964 384 2HB LEU 46 2HB LEU 46 -10.134 1.252 -4.832 385 HG LEU 46 HG LEU 46 -8.872 0.607 -6.835 386 1HD1 LEU 46 1HD1 LEU 46 -10.691 0.519 -8.276 387 2HD1 LEU 46 2HD1 LEU 46 -11.182 2.176 -7.922 388 3HD1 LEU 46 3HD1 LEU 46 -11.491 0.894 -6.750 389 1HD2 LEU 46 1HD2 LEU 46 -9.360 3.379 -7.931 390 2HD2 LEU 46 2HD2 LEU 46 -8.294 2.125 -8.562 391 3HD2 LEU 46 3HD2 LEU 46 -7.871 2.974 -7.075 392 H LYS 47 H LYS 47 -11.995 2.665 -3.392 393 HA LYS 47 HA LYS 47 -14.248 1.692 -4.977 394 1HB LYS 47 1HB LYS 47 -13.647 0.810 -2.730 395 2HB LYS 47 2HB LYS 47 -14.025 2.380 -2.023 396 1HG LYS 47 1HG LYS 47 -16.147 1.188 -3.722 397 2HG LYS 47 2HG LYS 47 -15.828 0.360 -2.198 398 1HD LYS 47 1HD LYS 47 -16.510 2.156 -0.916 399 2HD LYS 47 2HD LYS 47 -16.048 3.340 -2.142 400 1HE LYS 47 1HE LYS 47 -18.384 3.404 -2.313 401 2HE LYS 47 2HE LYS 47 -17.999 2.167 -3.526 402 1HZ LYS 47 1HZ LYS 47 -19.698 1.461 -1.863 403 2HZ LYS 47 2HZ LYS 47 -18.502 1.567 -0.663 404 3HZ LYS 47 3HZ LYS 47 -18.338 0.452 -1.934 405 H GLU 48 H GLU 48 -13.373 4.824 -3.491 406 HA GLU 48 HA GLU 48 -15.919 6.028 -3.330 407 1HB GLU 48 1HB GLU 48 -13.133 6.976 -3.847 408 2HB GLU 48 2HB GLU 48 -14.442 8.128 -4.118 409 1HG GLU 48 1HG GLU 48 -14.278 6.513 -1.574 410 2HG GLU 48 2HG GLU 48 -13.410 8.040 -1.750 411 HA PRO 49 HA PRO 49 -17.143 5.943 -7.615 412 1HB PRO 49 1HB PRO 49 -19.282 7.648 -7.482 413 2HB PRO 49 2HB PRO 49 -19.341 5.970 -6.904 414 1HG PRO 49 1HG PRO 49 -18.994 8.490 -5.361 415 2HG PRO 49 2HG PRO 49 -19.934 7.044 -4.963 416 1HD PRO 49 1HD PRO 49 -17.499 7.583 -3.881 417 2HD PRO 49 2HD PRO 49 -18.116 5.933 -4.120 418 H LYS 50 H LYS 50 -16.688 9.074 -5.919 419 HA LYS 50 HA LYS 50 -16.447 10.584 -8.438 420 1HB LYS 50 1HB LYS 50 -16.101 11.122 -5.496 421 2HB LYS 50 2HB LYS 50 -15.446 12.278 -6.657 422 1HG LYS 50 1HG LYS 50 -17.754 12.242 -7.769 423 2HG LYS 50 2HG LYS 50 -18.322 11.406 -6.324 424 1HD LYS 50 1HD LYS 50 -17.275 13.329 -4.987 425 2HD LYS 50 2HD LYS 50 -17.150 14.184 -6.524 426 1HE LYS 50 1HE LYS 50 -19.262 14.909 -5.951 427 2HE LYS 50 2HE LYS 50 -19.744 13.348 -6.645 428 1HZ LYS 50 1HZ LYS 50 -20.629 13.487 -4.439 429 2HZ LYS 50 2HZ LYS 50 -19.116 13.917 -3.797 430 3HZ LYS 50 3HZ LYS 50 -19.364 12.357 -4.423 431 H MET 51 H MET 51 -14.239 9.018 -6.109 432 HA MET 51 HA MET 51 -11.844 10.048 -7.510 433 1HB MET 51 1HB MET 51 -11.949 9.792 -5.048 434 2HB MET 51 2HB MET 51 -12.192 8.056 -5.247 435 1HG MET 51 1HG MET 51 -9.857 8.436 -4.801 436 2HG MET 51 2HG MET 51 -10.019 7.965 -6.490 437 1HE MET 51 1HE MET 51 -7.971 9.652 -8.058 438 2HE MET 51 2HE MET 51 -7.897 8.502 -6.726 439 3HE MET 51 3HE MET 51 -7.073 10.053 -6.588 440 H ALA 52 H ALA 52 -13.761 7.030 -7.391 441 HA ALA 52 HA ALA 52 -11.869 5.229 -8.541 442 1HB ALA 52 1HB ALA 52 -13.852 4.224 -7.819 443 2HB ALA 52 2HB ALA 52 -14.125 4.259 -9.561 444 3HB ALA 52 3HB ALA 52 -14.866 5.482 -8.527 445 H ALA 53 H ALA 53 -13.958 7.670 -10.136 446 HA ALA 53 HA ALA 53 -13.596 6.862 -12.847 447 1HB ALA 53 1HB ALA 53 -14.067 9.486 -11.447 448 2HB ALA 53 2HB ALA 53 -15.149 8.586 -12.509 449 3HB ALA 53 3HB ALA 53 -13.786 9.473 -13.188 450 H SER 54 H SER 54 -11.448 8.834 -10.750 451 HA SER 54 HA SER 54 -9.559 9.460 -12.889 452 1HB SER 54 1HB SER 54 -9.341 9.466 -9.859 453 2HB SER 54 2HB SER 54 -8.087 10.089 -10.927 454 HG SER 54 HG SER 54 -9.684 11.647 -10.125 455 H LEU 55 H LEU 55 -9.357 7.137 -10.118 456 HA LEU 55 HA LEU 55 -6.902 5.905 -10.907 457 1HB LEU 55 1HB LEU 55 -9.327 4.843 -9.425 458 2HB LEU 55 2HB LEU 55 -7.810 3.951 -9.553 459 HG LEU 55 HG LEU 55 -7.597 6.783 -8.676 460 1HD1 LEU 55 1HD1 LEU 55 -9.602 5.405 -7.495 461 2HD1 LEU 55 2HD1 LEU 55 -8.601 6.570 -6.630 462 3HD1 LEU 55 3HD1 LEU 55 -8.245 4.848 -6.516 463 1HD2 LEU 55 1HD2 LEU 55 -6.347 4.137 -7.885 464 2HD2 LEU 55 2HD2 LEU 55 -5.949 5.671 -7.112 465 3HD2 LEU 55 3HD2 LEU 55 -5.600 5.431 -8.823 466 H LEU 56 H LEU 56 -10.207 5.369 -12.150 467 HA LEU 56 HA LEU 56 -9.291 3.001 -13.706 468 1HB LEU 56 1HB LEU 56 -11.545 3.312 -12.433 469 2HB LEU 56 2HB LEU 56 -12.013 4.323 -13.795 470 HG LEU 56 HG LEU 56 -12.781 1.972 -14.054 471 1HD1 LEU 56 1HD1 LEU 56 -10.678 2.223 -16.143 472 2HD1 LEU 56 2HD1 LEU 56 -11.789 3.582 -15.968 473 3HD1 LEU 56 3HD1 LEU 56 -12.414 1.970 -16.315 474 1HD2 LEU 56 1HD2 LEU 56 -10.608 1.121 -12.861 475 2HD2 LEU 56 2HD2 LEU 56 -9.916 1.157 -14.483 476 3HD2 LEU 56 3HD2 LEU 56 -11.320 0.144 -14.146 477 H ASN 57 H ASN 57 -10.281 6.408 -14.247 478 HA ASN 57 HA ASN 57 -10.643 6.442 -17.031 479 1HB ASN 57 1HB ASN 57 -9.657 8.351 -14.979 480 2HB ASN 57 2HB ASN 57 -9.320 8.775 -16.656 481 1HD2 ASN 57 1HD2 ASN 57 -10.935 10.558 -16.604 482 2HD2 ASN 57 2HD2 ASN 57 -12.596 10.207 -16.603 483 HA PRO 58 HA PRO 58 -6.621 5.505 -18.637 484 1HB PRO 58 1HB PRO 58 -6.988 6.296 -21.221 485 2HB PRO 58 2HB PRO 58 -7.708 4.819 -20.555 486 1HG PRO 58 1HG PRO 58 -8.968 7.401 -21.201 487 2HG PRO 58 2HG PRO 58 -9.670 5.780 -21.149 488 1HD PRO 58 1HD PRO 58 -9.910 7.790 -19.188 489 2HD PRO 58 2HD PRO 58 -10.404 6.090 -19.041 490 H TYR 59 H TYR 59 -7.662 8.673 -18.043 491 HA TYR 59 HA TYR 59 -5.475 10.032 -19.503 492 1HB TYR 59 1HB TYR 59 -7.649 11.023 -17.617 493 2HB TYR 59 2HB TYR 59 -6.584 12.057 -18.573 494 HD1 TYR 59 HD1 TYR 59 -9.429 9.709 -18.674 495 HD2 TYR 59 HD2 TYR 59 -6.819 12.208 -21.006 496 HE1 TYR 59 HE1 TYR 59 -10.959 9.504 -20.612 497 HE2 TYR 59 HE2 TYR 59 -8.355 12.002 -22.942 498 HH TYR 59 HH TYR 59 -11.168 11.406 -23.000 499 H VAL 60 H VAL 60 -6.410 9.179 -16.134 500 HA VAL 60 HA VAL 60 -4.454 10.714 -14.743 501 HB VAL 60 HB VAL 60 -4.670 8.978 -12.971 502 1HG1 VAL 60 1HG1 VAL 60 -6.861 9.529 -12.481 503 2HG1 VAL 60 2HG1 VAL 60 -7.412 9.254 -14.134 504 3HG1 VAL 60 3HG1 VAL 60 -6.521 10.722 -13.735 505 1HG2 VAL 60 1HG2 VAL 60 -5.721 6.913 -13.334 506 2HG2 VAL 60 2HG2 VAL 60 -4.769 7.111 -14.804 507 3HG2 VAL 60 3HG2 VAL 60 -6.496 7.460 -14.817 508 H LYS 61 H LYS 61 -3.948 7.771 -16.690 509 HA LYS 61 HA LYS 61 -1.970 6.610 -17.214 510 1HB LYS 61 1HB LYS 61 -1.361 9.481 -16.866 511 2HB LYS 61 2HB LYS 61 0.047 8.424 -16.784 512 1HG LYS 61 1HG LYS 61 -1.912 7.908 -18.971 513 2HG LYS 61 2HG LYS 61 -0.898 9.345 -19.118 514 1HD LYS 61 1HD LYS 61 1.093 7.829 -18.612 515 2HD LYS 61 2HD LYS 61 -0.005 6.469 -18.849 516 1HE LYS 61 1HE LYS 61 -0.047 8.548 -20.978 517 2HE LYS 61 2HE LYS 61 1.413 7.542 -20.888 518 1HZ LYS 61 1HZ LYS 61 -1.335 6.428 -20.774 519 2HZ LYS 61 2HZ LYS 61 0.123 5.576 -20.969 520 3HZ LYS 61 3HZ LYS 61 -0.459 6.567 -22.220 521 H ARG 62 H ARG 62 0.540 6.418 -16.160 522 HA ARG 62 HA ARG 62 0.002 5.654 -13.315 523 1HB ARG 62 1HB ARG 62 2.036 4.801 -15.396 524 2HB ARG 62 2HB ARG 62 2.107 4.268 -13.716 525 1HG ARG 62 1HG ARG 62 -0.490 3.971 -15.166 526 2HG ARG 62 2HG ARG 62 0.810 2.847 -15.561 527 1HD ARG 62 1HD ARG 62 0.013 1.669 -13.762 528 2HD ARG 62 2HD ARG 62 0.912 2.864 -12.804 529 HE ARG 62 HE ARG 62 -1.145 4.059 -12.420 530 1HH1 ARG 62 1HH1 ARG 62 -1.785 2.453 -15.264 531 2HH1 ARG 62 2HH1 ARG 62 -3.371 1.916 -14.824 532 1HH2 ARG 62 1HH2 ARG 62 -3.070 2.877 -11.507 533 2HH2 ARG 62 2HH2 ARG 62 -4.098 2.155 -12.700 534 H SER 63 H SER 63 2.629 7.134 -15.322 535 HA SER 63 HA SER 63 4.233 8.014 -13.105 536 1HB SER 63 1HB SER 63 4.970 9.784 -14.882 537 2HB SER 63 2HB SER 63 5.242 8.084 -15.248 538 HG SER 63 HG SER 63 4.238 8.986 -17.006 539 H VAL 64 H VAL 64 1.538 9.638 -14.840 540 HA VAL 64 HA VAL 64 1.717 12.099 -13.280 541 HB VAL 64 HB VAL 64 -0.572 10.850 -14.861 542 1HG1 VAL 64 1HG1 VAL 64 -0.171 13.722 -13.958 543 2HG1 VAL 64 2HG1 VAL 64 -1.318 12.592 -13.241 544 3HG1 VAL 64 3HG1 VAL 64 -1.521 13.110 -14.914 545 1HG2 VAL 64 1HG2 VAL 64 0.998 11.254 -16.499 546 2HG2 VAL 64 2HG2 VAL 64 1.817 12.497 -15.554 547 3HG2 VAL 64 3HG2 VAL 64 0.310 12.874 -16.390 548 H LYS 65 H LYS 65 -0.240 9.093 -12.991 549 HA LYS 65 HA LYS 65 -1.801 9.960 -10.720 550 1HB LYS 65 1HB LYS 65 -2.155 7.925 -12.236 551 2HB LYS 65 2HB LYS 65 -0.892 7.123 -11.301 552 1HG LYS 65 1HG LYS 65 -2.905 6.476 -10.233 553 2HG LYS 65 2HG LYS 65 -2.277 7.779 -9.223 554 1HD LYS 65 1HD LYS 65 -3.731 9.242 -10.959 555 2HD LYS 65 2HD LYS 65 -4.661 7.743 -11.001 556 1HE LYS 65 1HE LYS 65 -5.267 7.896 -8.757 557 2HE LYS 65 2HE LYS 65 -3.837 8.859 -8.333 558 1HZ LYS 65 1HZ LYS 65 -4.741 10.638 -9.784 559 2HZ LYS 65 2HZ LYS 65 -5.709 10.323 -8.422 560 3HZ LYS 65 3HZ LYS 65 -6.169 9.739 -9.950 561 H VAL 66 H VAL 66 1.437 8.417 -10.969 562 HA VAL 66 HA VAL 66 1.816 7.834 -8.186 563 HB VAL 66 HB VAL 66 3.826 8.730 -10.293 564 1HG1 VAL 66 1HG1 VAL 66 4.234 7.242 -7.678 565 2HG1 VAL 66 2HG1 VAL 66 4.743 8.898 -8.012 566 3HG1 VAL 66 3HG1 VAL 66 5.486 7.555 -8.880 567 1HG2 VAL 66 1HG2 VAL 66 3.783 6.608 -11.117 568 2HG2 VAL 66 2HG2 VAL 66 2.213 6.496 -10.324 569 3HG2 VAL 66 3HG2 VAL 66 3.654 5.887 -9.513 570 H LYS 67 H LYS 67 2.374 10.879 -10.027 571 HA LYS 67 HA LYS 67 3.493 12.346 -7.780 572 1HB LYS 67 1HB LYS 67 2.220 13.041 -10.425 573 2HB LYS 67 2HB LYS 67 2.552 14.326 -9.263 574 1HG LYS 67 1HG LYS 67 4.826 14.127 -9.481 575 2HG LYS 67 2HG LYS 67 4.752 12.386 -9.756 576 1HD LYS 67 1HD LYS 67 5.262 13.033 -11.901 577 2HD LYS 67 2HD LYS 67 3.510 13.211 -11.993 578 1HE LYS 67 1HE LYS 67 4.072 15.331 -12.713 579 2HE LYS 67 2HE LYS 67 4.182 15.645 -10.969 580 1HZ LYS 67 1HZ LYS 67 6.419 14.652 -12.656 581 2HZ LYS 67 2HZ LYS 67 6.500 15.050 -11.006 582 3HZ LYS 67 3HZ LYS 67 6.230 16.265 -12.164 583 H SER 68 H SER 68 0.144 11.949 -9.029 584 HA SER 68 HA SER 68 -1.145 13.788 -7.243 585 1HB SER 68 1HB SER 68 -2.038 11.230 -8.599 586 2HB SER 68 2HB SER 68 -3.142 12.209 -7.638 587 HG SER 68 HG SER 68 -2.830 13.902 -9.034 588 H LEU 69 H LEU 69 -0.185 10.356 -6.772 589 HA LEU 69 HA LEU 69 -1.530 9.901 -4.282 590 1HB LEU 69 1HB LEU 69 0.850 8.789 -5.709 591 2HB LEU 69 2HB LEU 69 0.714 8.420 -3.990 592 HG LEU 69 HG LEU 69 -1.699 7.725 -4.475 593 1HD1 LEU 69 1HD1 LEU 69 -0.643 7.661 -7.317 594 2HD1 LEU 69 2HD1 LEU 69 -1.771 8.872 -6.707 595 3HD1 LEU 69 3HD1 LEU 69 -2.250 7.176 -6.776 596 1HD2 LEU 69 1HD2 LEU 69 -1.018 5.526 -4.847 597 2HD2 LEU 69 2HD2 LEU 69 0.494 6.254 -4.305 598 3HD2 LEU 69 3HD2 LEU 69 0.206 5.998 -6.026 599 H SER 70 H SER 70 1.751 11.258 -4.917 600 HA SER 70 HA SER 70 2.428 11.651 -2.129 601 1HB SER 70 1HB SER 70 3.327 13.014 -4.691 602 2HB SER 70 2HB SER 70 4.063 13.340 -3.125 603 HG SER 70 HG SER 70 4.762 11.257 -3.023 604 H ASP 71 H ASP 71 0.874 13.801 -4.559 605 HA ASP 71 HA ASP 71 0.601 16.044 -2.717 606 1HB ASP 71 1HB ASP 71 -0.718 15.278 -5.337 607 2HB ASP 71 2HB ASP 71 -1.106 16.778 -4.495 608 H MET 72 H MET 72 -1.245 13.071 -3.135 609 HA MET 72 HA MET 72 -3.629 14.193 -1.754 610 1HB MET 72 1HB MET 72 -3.775 12.482 -3.613 611 2HB MET 72 2HB MET 72 -2.948 11.334 -2.560 612 1HG MET 72 1HG MET 72 -4.773 11.650 -0.872 613 2HG MET 72 2HG MET 72 -5.624 12.661 -2.040 614 1HE MET 72 1HE MET 72 -4.159 9.370 -1.082 615 2HE MET 72 2HE MET 72 -3.455 9.332 -2.697 616 3HE MET 72 3HE MET 72 -4.718 8.181 -2.267 617 H THR 73 H THR 73 -0.986 11.825 -1.221 618 HA THR 73 HA THR 73 -1.615 11.089 1.469 619 HB THR 73 HB THR 73 0.846 11.213 -0.271 620 HG1 THR 73 HG1 THR 73 -0.457 9.468 -0.530 621 1HG2 THR 73 1HG2 THR 73 1.826 9.825 1.823 622 2HG2 THR 73 2HG2 THR 73 0.854 11.020 2.683 623 3HG2 THR 73 3HG2 THR 73 2.122 11.545 1.577 624 H ALA 74 H ALA 74 0.141 13.955 0.161 625 HA ALA 74 HA ALA 74 1.104 15.013 2.650 626 1HB ALA 74 1HB ALA 74 1.256 17.120 1.437 627 2HB ALA 74 2HB ALA 74 0.053 16.581 0.267 628 3HB ALA 74 3HB ALA 74 1.642 15.819 0.311 629 H LYS 75 H LYS 75 -2.101 15.346 1.058 630 HA LYS 75 HA LYS 75 -3.101 17.058 3.267 631 1HB LYS 75 1HB LYS 75 -4.293 15.904 0.728 632 2HB LYS 75 2HB LYS 75 -5.251 16.832 1.882 633 1HG LYS 75 1HG LYS 75 -2.654 17.949 0.859 634 2HG LYS 75 2HG LYS 75 -4.112 18.079 -0.124 635 1HD LYS 75 1HD LYS 75 -5.113 18.893 2.245 636 2HD LYS 75 2HD LYS 75 -3.438 19.409 2.449 637 1HE LYS 75 1HE LYS 75 -4.161 21.277 1.319 638 2HE LYS 75 2HE LYS 75 -3.934 20.252 -0.113 639 1HZ LYS 75 1HZ LYS 75 -6.210 21.241 0.112 640 2HZ LYS 75 2HZ LYS 75 -6.428 20.278 1.495 641 3HZ LYS 75 3HZ LYS 75 -6.181 19.550 -0.020 642 H GLU 76 H GLU 76 -3.438 13.672 2.123 643 HA GLU 76 HA GLU 76 -5.575 12.906 3.895 644 1HB GLU 76 1HB GLU 76 -4.335 11.704 1.870 645 2HB GLU 76 2HB GLU 76 -3.385 10.989 3.173 646 1HG GLU 76 1HG GLU 76 -5.220 9.498 2.802 647 2HG GLU 76 2HG GLU 76 -5.600 10.381 4.282 648 H LYS 77 H LYS 77 -2.168 13.541 4.609 649 HA LYS 77 HA LYS 77 -1.001 13.445 6.642 650 1HB LYS 77 1HB LYS 77 -3.453 14.308 7.262 651 2HB LYS 77 2HB LYS 77 -3.540 12.748 8.079 652 1HG LYS 77 1HG LYS 77 -1.956 13.319 9.639 653 2HG LYS 77 2HG LYS 77 -1.062 14.338 8.510 654 1HD LYS 77 1HD LYS 77 -2.742 16.093 8.692 655 2HD LYS 77 2HD LYS 77 -3.749 15.065 9.713 656 1HE LYS 77 1HE LYS 77 -2.627 16.377 11.310 657 2HE LYS 77 2HE LYS 77 -1.571 14.953 11.220 658 1HZ LYS 77 1HZ LYS 77 -0.208 16.866 10.913 659 2HZ LYS 77 2HZ LYS 77 -1.263 17.515 9.749 660 3HZ LYS 77 3HZ LYS 77 -0.363 16.116 9.399 661 H PHE 78 H PHE 78 -1.049 11.081 5.064 662 HA PHE 78 HA PHE 78 -1.869 8.700 6.431 663 1HB PHE 78 1HB PHE 78 0.035 9.430 4.270 664 2HB PHE 78 2HB PHE 78 0.373 7.903 5.080 665 HD1 PHE 78 HD1 PHE 78 -1.179 9.112 2.296 666 HD2 PHE 78 HD2 PHE 78 -2.091 6.695 5.735 667 HE1 PHE 78 HE1 PHE 78 -3.037 8.038 1.051 668 HE2 PHE 78 HE2 PHE 78 -3.949 5.634 4.489 669 HZ PHE 78 HZ PHE 78 -4.422 6.296 2.149 670 H SER 79 H SER 79 0.244 7.061 7.032 671 HA SER 79 HA SER 79 1.482 8.479 9.334 672 1HB SER 79 1HB SER 79 1.235 6.460 10.472 673 2HB SER 79 2HB SER 79 -0.119 6.369 9.361 674 HG SER 79 HG SER 79 0.985 4.473 9.150 675 HA PRO 80 HA PRO 80 5.491 7.595 7.806 676 1HB PRO 80 1HB PRO 80 6.845 6.008 9.551 677 2HB PRO 80 2HB PRO 80 6.448 7.705 9.870 678 1HG PRO 80 1HG PRO 80 5.206 5.246 10.930 679 2HG PRO 80 2HG PRO 80 5.398 6.835 11.683 680 1HD PRO 80 1HD PRO 80 3.074 5.842 10.544 681 2HD PRO 80 2HD PRO 80 3.394 7.550 10.915 682 H LEU 81 H LEU 81 3.420 4.854 7.930 683 HA LEU 81 HA LEU 81 5.382 3.326 6.278 684 1HB LEU 81 1HB LEU 81 3.465 2.587 8.457 685 2HB LEU 81 2HB LEU 81 3.748 1.416 7.157 686 HG LEU 81 HG LEU 81 6.199 2.692 8.227 687 1HD1 LEU 81 1HD1 LEU 81 5.673 2.388 10.400 688 2HD1 LEU 81 2HD1 LEU 81 5.852 0.667 10.074 689 3HD1 LEU 81 3HD1 LEU 81 4.257 1.414 10.019 690 1HD2 LEU 81 1HD2 LEU 81 6.643 0.955 6.750 691 2HD2 LEU 81 2HD2 LEU 81 5.260 0.003 7.287 692 3HD2 LEU 81 3HD2 LEU 81 6.711 0.094 8.287 693 H THR 82 H THR 82 2.959 5.366 5.690 694 HA THR 82 HA THR 82 1.659 3.521 3.745 695 HB THR 82 HB THR 82 0.282 5.913 4.990 696 HG1 THR 82 HG1 THR 82 0.739 4.766 6.764 697 1HG2 THR 82 1HG2 THR 82 -0.335 3.676 3.185 698 2HG2 THR 82 2HG2 THR 82 -1.255 5.140 3.498 699 3HG2 THR 82 3HG2 THR 82 -1.437 3.743 4.552 700 H SER 83 H SER 83 3.915 5.890 3.654 701 HA SER 83 HA SER 83 2.675 7.154 1.241 702 1HB SER 83 1HB SER 83 3.103 8.773 3.036 703 2HB SER 83 2HB SER 83 4.747 8.172 3.229 704 HG SER 83 HG SER 83 4.826 9.990 1.948 705 H ASN 84 H ASN 84 3.963 4.602 1.276 706 HA ASN 84 HA ASN 84 6.180 5.100 -0.655 707 1HB ASN 84 1HB ASN 84 6.344 3.944 2.061 708 2HB ASN 84 2HB ASN 84 7.024 2.893 0.818 709 1HD2 ASN 84 1HD2 ASN 84 8.126 5.058 2.983 710 2HD2 ASN 84 2HD2 ASN 84 9.340 5.821 2.075 711 H LEU 85 H LEU 85 4.500 2.442 1.118 712 HA LEU 85 HA LEU 85 4.235 0.673 -1.132 713 1HB LEU 85 1HB LEU 85 3.867 -0.096 1.161 714 2HB LEU 85 2HB LEU 85 2.581 1.081 1.402 715 HG LEU 85 HG LEU 85 1.227 -0.062 -0.336 716 1HD1 LEU 85 1HD1 LEU 85 3.426 -2.152 -0.310 717 2HD1 LEU 85 2HD1 LEU 85 3.205 -0.969 -1.599 718 3HD1 LEU 85 3HD1 LEU 85 1.958 -2.174 -1.286 719 1HD2 LEU 85 1HD2 LEU 85 0.632 -1.982 0.998 720 2HD2 LEU 85 2HD2 LEU 85 1.148 -0.715 2.110 721 3HD2 LEU 85 3HD2 LEU 85 2.240 -2.044 1.722 722 H ILE 86 H ILE 86 2.418 3.615 -0.140 723 HA ILE 86 HA ILE 86 0.061 3.171 -1.699 724 HB ILE 86 HB ILE 86 0.406 4.983 0.011 725 1HG1 ILE 86 1HG1 ILE 86 -0.294 6.472 -2.467 726 2HG1 ILE 86 2HG1 ILE 86 -1.214 5.002 -2.150 727 1HG2 ILE 86 1HG2 ILE 86 2.713 5.613 -0.878 728 2HG2 ILE 86 2HG2 ILE 86 1.646 6.966 -0.508 729 3HG2 ILE 86 3HG2 ILE 86 1.882 6.463 -2.180 730 1HD1 ILE 86 1HD1 ILE 86 -1.944 7.355 -1.118 731 2HD1 ILE 86 2HD1 ILE 86 -0.791 6.879 0.130 732 3HD1 ILE 86 3HD1 ILE 86 -2.174 5.847 -0.233 733 H ASN 87 H ASN 87 3.276 4.467 -2.634 734 HA ASN 87 HA ASN 87 2.490 5.230 -5.327 735 1HB ASN 87 1HB ASN 87 5.057 4.662 -3.866 736 2HB ASN 87 2HB ASN 87 5.101 4.784 -5.625 737 1HD2 ASN 87 1HD2 ASN 87 6.285 6.870 -5.542 738 2HD2 ASN 87 2HD2 ASN 87 5.494 8.289 -5.048 739 H LEU 88 H LEU 88 4.060 2.268 -4.004 740 HA LEU 88 HA LEU 88 4.335 0.750 -6.370 741 1HB LEU 88 1HB LEU 88 3.917 0.181 -3.476 742 2HB LEU 88 2HB LEU 88 3.595 -1.158 -4.576 743 HG LEU 88 HG LEU 88 6.102 0.421 -4.977 744 1HD1 LEU 88 1HD1 LEU 88 7.154 -1.341 -3.369 745 2HD1 LEU 88 2HD1 LEU 88 5.528 -1.465 -2.699 746 3HD1 LEU 88 3HD1 LEU 88 6.379 0.080 -2.666 747 1HD2 LEU 88 1HD2 LEU 88 6.823 -1.517 -6.040 748 2HD2 LEU 88 2HD2 LEU 88 5.086 -1.628 -6.325 749 3HD2 LEU 88 3HD2 LEU 88 5.830 -2.564 -5.028 750 H LEU 89 H LEU 89 1.388 1.180 -4.348 751 HA LEU 89 HA LEU 89 -0.251 -0.690 -5.820 752 1HB LEU 89 1HB LEU 89 -0.911 1.792 -4.198 753 2HB LEU 89 2HB LEU 89 -2.134 0.671 -4.800 754 HG LEU 89 HG LEU 89 0.193 -0.114 -3.020 755 1HD1 LEU 89 1HD1 LEU 89 -2.714 0.491 -2.435 756 2HD1 LEU 89 2HD1 LEU 89 -1.287 1.205 -1.687 757 3HD1 LEU 89 3HD1 LEU 89 -1.714 -0.472 -1.348 758 1HD2 LEU 89 1HD2 LEU 89 -1.928 -1.579 -4.488 759 2HD2 LEU 89 2HD2 LEU 89 -1.673 -2.086 -2.818 760 3HD2 LEU 89 3HD2 LEU 89 -0.336 -2.126 -3.967 761 H ALA 90 H ALA 90 0.390 2.816 -6.269 762 HA ALA 90 HA ALA 90 -1.188 2.694 -8.814 763 1HB ALA 90 1HB ALA 90 -1.785 4.841 -8.332 764 2HB ALA 90 2HB ALA 90 -0.143 5.283 -7.862 765 3HB ALA 90 3HB ALA 90 -1.203 4.473 -6.708 766 H GLU 91 H GLU 91 1.673 1.624 -8.443 767 HA GLU 91 HA GLU 91 3.179 3.589 -10.129 768 1HB GLU 91 1HB GLU 91 4.226 2.730 -8.057 769 2HB GLU 91 2HB GLU 91 4.047 1.079 -8.649 770 1HG GLU 91 1HG GLU 91 5.447 1.735 -10.644 771 2HG GLU 91 2HG GLU 91 5.750 3.279 -9.849 772 H ASN 92 H ASN 92 2.289 0.078 -10.082 773 HA ASN 92 HA ASN 92 2.904 0.029 -13.022 774 1HB ASN 92 1HB ASN 92 2.940 -2.101 -10.865 775 2HB ASN 92 2HB ASN 92 3.210 -2.433 -12.577 776 1HD2 ASN 92 1HD2 ASN 92 4.970 -2.053 -9.814 777 2HD2 ASN 92 2HD2 ASN 92 6.360 -1.315 -10.451 778 H GLY 93 H GLY 93 0.222 0.794 -11.679 779 1HA GLY 93 1HA GLY 93 -2.002 0.460 -12.373 780 2HA GLY 93 2HA GLY 93 -1.448 -0.865 -13.399 781 H ARG 94 H ARG 94 -1.283 -0.279 -9.837 782 HA ARG 94 HA ARG 94 -2.401 -3.035 -9.513 783 1HB ARG 94 1HB ARG 94 -0.057 -1.822 -8.582 784 2HB ARG 94 2HB ARG 94 -1.122 -1.835 -7.177 785 1HG ARG 94 1HG ARG 94 -1.197 -4.139 -7.079 786 2HG ARG 94 2HG ARG 94 -0.971 -4.326 -8.817 787 1HD ARG 94 1HD ARG 94 1.413 -3.172 -8.110 788 2HD ARG 94 2HD ARG 94 1.059 -4.157 -6.677 789 HE ARG 94 HE ARG 94 0.828 -6.114 -8.177 790 1HH1 ARG 94 1HH2 ARG 94 0.962 -3.556 -10.278 791 2HH1 ARG 94 2HH2 ARG 94 2.238 -4.181 -11.268 792 1HH2 ARG 94 1HH1 ARG 94 2.993 -6.790 -9.114 793 2HH2 ARG 94 2HH1 ARG 94 3.388 -6.011 -10.609 794 H LEU 95 H LEU 95 -4.094 -0.558 -9.844 795 HA LEU 95 HA LEU 95 -5.245 -0.345 -7.083 796 1HB LEU 95 1HB LEU 95 -5.493 1.345 -9.595 797 2HB LEU 95 2HB LEU 95 -6.409 1.655 -8.121 798 HG LEU 95 HG LEU 95 -3.433 1.348 -7.928 799 1HD1 LEU 95 1HD1 LEU 95 -4.909 3.550 -9.282 800 2HD1 LEU 95 2HD1 LEU 95 -3.252 2.993 -9.519 801 3HD1 LEU 95 3HD1 LEU 95 -3.645 4.030 -8.148 802 1HD2 LEU 95 1HD2 LEU 95 -3.870 3.122 -6.154 803 2HD2 LEU 95 2HD2 LEU 95 -4.634 1.561 -5.856 804 3HD2 LEU 95 3HD2 LEU 95 -5.590 2.907 -6.477 805 H THR 96 H THR 96 -5.654 -2.658 -9.034 806 HA THR 96 HA THR 96 -8.612 -2.421 -9.466 807 HB THR 96 HB THR 96 -8.223 -4.332 -11.024 808 HG1 THR 96 HG1 THR 96 -6.163 -5.086 -11.321 809 1HG2 THR 96 1HG2 THR 96 -8.075 -2.344 -12.212 810 2HG2 THR 96 2HG2 THR 96 -6.475 -3.021 -12.515 811 3HG2 THR 96 3HG2 THR 96 -6.688 -1.775 -11.285 812 H ASN 97 H ASN 97 -6.058 -4.761 -8.429 813 HA ASN 97 HA ASN 97 -8.058 -6.056 -6.623 814 1HB ASN 97 1HB ASN 97 -5.314 -6.898 -7.640 815 2HB ASN 97 2HB ASN 97 -6.346 -7.881 -6.599 816 1HD2 ASN 97 1HD2 ASN 97 -5.766 -6.929 -9.918 817 2HD2 ASN 97 2HD2 ASN 97 -7.081 -7.765 -10.589 818 H THR 98 H THR 98 -6.856 -3.402 -5.981 819 HA THR 98 HA THR 98 -4.616 -3.759 -4.214 820 HB THR 98 HB THR 98 -5.264 -1.623 -5.318 821 HG1 THR 98 HG1 THR 98 -3.897 -1.484 -3.587 822 1HG2 THR 98 1HG2 THR 98 -7.665 -1.642 -5.028 823 2HG2 THR 98 2HG2 THR 98 -7.023 -0.249 -4.160 824 3HG2 THR 98 3HG2 THR 98 -7.496 -1.699 -3.274 825 HA PRO 99 HA PRO 99 -7.908 -3.751 -0.678 826 1HB PRO 99 1HB PRO 99 -10.121 -5.307 -1.143 827 2HB PRO 99 2HB PRO 99 -10.096 -3.546 -1.376 828 1HG PRO 99 1HG PRO 99 -9.800 -5.724 -3.390 829 2HG PRO 99 2HG PRO 99 -10.725 -4.216 -3.487 830 1HD PRO 99 1HD PRO 99 -8.354 -4.500 -4.678 831 2HD PRO 99 2HD PRO 99 -8.868 -2.953 -3.995 832 H ALA 100 H ALA 100 -7.599 -6.541 -2.921 833 HA ALA 100 HA ALA 100 -7.582 -8.648 -0.980 834 1HB ALA 100 1HB ALA 100 -7.629 -9.158 -3.339 835 2HB ALA 100 2HB ALA 100 -6.102 -9.793 -2.727 836 3HB ALA 100 3HB ALA 100 -6.130 -8.274 -3.620 837 H VAL 101 H VAL 101 -4.960 -6.424 -2.016 838 HA VAL 101 HA VAL 101 -2.818 -7.746 -0.587 839 HB VAL 101 HB VAL 101 -3.191 -4.807 -1.290 840 1HG1 VAL 101 1HG1 VAL 101 -0.808 -6.451 -0.433 841 2HG1 VAL 101 2HG1 VAL 101 -1.371 -4.912 0.219 842 3HG1 VAL 101 3HG1 VAL 101 -0.610 -4.970 -1.370 843 1HG2 VAL 101 1HG2 VAL 101 -2.617 -5.301 -3.435 844 2HG2 VAL 101 2HG2 VAL 101 -3.119 -6.943 -3.033 845 3HG2 VAL 101 3HG2 VAL 101 -1.417 -6.492 -2.938 846 H ILE 102 H ILE 102 -5.126 -5.162 0.379 847 HA ILE 102 HA ILE 102 -3.949 -4.664 2.973 848 HB ILE 102 HB ILE 102 -6.821 -4.374 2.008 849 1HG1 ILE 102 1HG1 ILE 102 -5.027 -2.026 2.273 850 2HG1 ILE 102 2HG1 ILE 102 -4.610 -3.146 0.978 851 1HG2 ILE 102 1HG2 ILE 102 -6.575 -2.437 3.825 852 2HG2 ILE 102 2HG2 ILE 102 -5.384 -3.549 4.499 853 3HG2 ILE 102 3HG2 ILE 102 -7.056 -4.069 4.292 854 1HD1 ILE 102 1HD1 ILE 102 -6.528 -1.152 0.822 855 2HD1 ILE 102 2HD1 ILE 102 -7.488 -2.602 1.114 856 3HD1 ILE 102 3HD1 ILE 102 -6.394 -2.530 -0.267 857 H SER 103 H SER 103 -6.497 -6.967 1.893 858 HA SER 103 HA SER 103 -7.213 -7.945 4.504 859 1HB SER 103 1HB SER 103 -8.166 -9.822 3.290 860 2HB SER 103 2HB SER 103 -8.386 -8.386 2.294 861 HG SER 103 HG SER 103 -6.593 -10.534 1.997 862 H ALA 104 H ALA 104 -4.702 -9.101 2.188 863 HA ALA 104 HA ALA 104 -3.731 -11.295 3.749 864 1HB ALA 104 1HB ALA 104 -1.517 -10.677 2.509 865 2HB ALA 104 2HB ALA 104 -2.476 -9.408 1.749 866 3HB ALA 104 3HB ALA 104 -2.922 -11.100 1.529 867 H PHE 105 H PHE 105 -3.043 -7.789 4.013 868 HA PHE 105 HA PHE 105 -0.804 -7.867 5.775 869 1HB PHE 105 1HB PHE 105 -1.972 -5.865 4.643 870 2HB PHE 105 2HB PHE 105 -3.119 -5.913 5.979 871 HD1 PHE 105 HD1 PHE 105 -0.055 -4.560 4.869 872 HD2 PHE 105 HD2 PHE 105 -2.012 -5.995 8.400 873 HE1 PHE 105 HE1 PHE 105 1.533 -3.284 6.259 874 HE2 PHE 105 HE2 PHE 105 -0.432 -4.703 9.791 875 HZ PHE 105 HZ PHE 105 1.352 -3.365 8.722 876 H SER 106 H SER 106 -4.308 -8.180 6.512 877 HA SER 106 HA SER 106 -3.867 -8.239 9.405 878 1HB SER 106 1HB SER 106 -6.186 -8.957 7.594 879 2HB SER 106 2HB SER 106 -6.284 -9.122 9.345 880 HG SER 106 HG SER 106 -6.973 -7.047 8.330 881 H THR 107 H THR 107 -3.614 -10.693 6.893 882 HA THR 107 HA THR 107 -3.874 -12.893 8.872 883 HB THR 107 HB THR 107 -3.073 -12.974 5.933 884 HG1 THR 107 HG1 THR 107 -5.075 -12.193 5.842 885 1HG2 THR 107 1HG2 THR 107 -4.031 -15.033 7.928 886 2HG2 THR 107 2HG2 THR 107 -2.539 -15.042 6.988 887 3HG2 THR 107 3HG2 THR 107 -4.088 -15.308 6.187 888 H MET 108 H MET 108 -1.328 -11.162 7.030 889 HA MET 108 HA MET 108 0.780 -12.992 7.909 890 1HB MET 108 1HB MET 108 0.709 -10.239 6.652 891 2HB MET 108 2HB MET 108 2.229 -11.008 7.110 892 1HG MET 108 1HG MET 108 0.165 -12.312 5.315 893 2HG MET 108 2HG MET 108 1.553 -11.411 4.710 894 1HE MET 108 1HE MET 108 1.135 -15.605 5.506 895 2HE MET 108 2HE MET 108 1.374 -14.835 3.939 896 3HE MET 108 3HE MET 108 0.081 -14.278 4.998 897 H MET 109 H MET 109 -0.653 -9.951 9.191 898 HA MET 109 HA MET 109 1.404 -9.388 11.127 899 1HB MET 109 1HB MET 109 -0.353 -8.104 12.282 900 2HB MET 109 2HB MET 109 -0.473 -7.856 10.543 901 1HG MET 109 1HG MET 109 -2.687 -8.280 11.002 902 2HG MET 109 2HG MET 109 -2.139 -9.931 10.742 903 1HE MET 109 1HE MET 109 -4.225 -8.014 12.255 904 2HE MET 109 2HE MET 109 -3.468 -7.381 13.715 905 3HE MET 109 3HE MET 109 -4.640 -8.691 13.836 906 H SER 110 H SER 110 -1.268 -11.807 11.197 907 HA SER 110 HA SER 110 -1.032 -12.413 14.021 908 1HB SER 110 1HB SER 110 -1.886 -14.038 11.603 909 2HB SER 110 2HB SER 110 -1.978 -14.671 13.244 910 HG SER 110 HG SER 110 -3.344 -12.494 12.074 911 H VAL 111 H VAL 111 0.871 -13.465 11.180 912 HA VAL 111 HA VAL 111 2.357 -15.471 12.729 913 HB VAL 111 HB VAL 111 2.914 -14.194 10.026 914 1HG1 VAL 111 1HG1 VAL 111 4.042 -16.594 9.826 915 2HG1 VAL 111 2HG1 VAL 111 4.167 -16.426 11.578 916 3HG1 VAL 111 3HG1 VAL 111 4.925 -15.234 10.522 917 1HG2 VAL 111 1HG2 VAL 111 0.693 -15.501 10.459 918 2HG2 VAL 111 2HG2 VAL 111 1.731 -16.925 10.510 919 3HG2 VAL 111 3HG2 VAL 111 1.663 -15.936 9.052 920 H HIS 112 H HIS 112 2.563 -12.004 12.608 921 HA HIS 112 HA HIS 112 5.475 -11.981 13.062 922 1HB HIS 112 1HB HIS 112 5.279 -9.828 12.347 923 2HB HIS 112 2HB HIS 112 3.644 -10.272 11.884 924 HD1 HIS 112 HD1 HIS 112 1.849 -9.931 14.038 925 HD2 HIS 112 HD2 HIS 112 5.330 -7.721 14.003 926 HE1 HIS 112 HE1 HIS 112 1.472 -8.026 15.638 927 H ARG 113 H ARG 113 2.456 -11.972 14.948 928 HA ARG 113 HA ARG 113 3.909 -11.142 17.411 929 1HB ARG 113 1HB ARG 113 1.502 -10.470 16.604 930 2HB ARG 113 2HB ARG 113 1.035 -12.041 17.255 931 1HG ARG 113 1HG ARG 113 1.417 -11.409 19.428 932 2HG ARG 113 2HG ARG 113 2.754 -10.344 18.992 933 1HD ARG 113 1HD ARG 113 1.381 -8.532 18.695 934 2HD ARG 113 2HD ARG 113 0.077 -9.514 17.998 935 HE ARG 113 HE ARG 113 0.634 -9.240 20.916 936 1HH1 ARG 113 1HH1 ARG 113 -0.605 -11.780 19.415 937 2HH1 ARG 113 2HH1 ARG 113 -2.260 -11.567 19.877 938 1HH2 ARG 113 1HH2 ARG 113 -1.796 -8.329 21.031 939 2HH2 ARG 113 2HH2 ARG 113 -2.935 -9.613 20.792 940 H GLY 114 H GLY 114 2.378 -14.069 15.983 941 1HA GLY 114 1HA GLY 114 2.484 -15.704 18.315 942 2HA GLY 114 2HA GLY 114 2.499 -16.307 16.658 943 H GLU 115 H GLU 115 4.941 -15.088 15.762 944 HA GLU 115 HA GLU 115 6.927 -16.545 17.480 945 1HB GLU 115 1HB GLU 115 6.382 -17.516 15.239 946 2HB GLU 115 2HB GLU 115 6.923 -16.014 14.490 947 1HG GLU 115 1HG GLU 115 9.147 -16.420 14.949 948 2HG GLU 115 2HG GLU 115 8.784 -17.357 16.399 949 H VAL 116 H VAL 116 6.803 -14.144 18.510 950 HA VAL 116 HA VAL 116 8.169 -12.059 16.981 951 HB VAL 116 HB VAL 116 7.565 -12.271 19.949 952 1HG1 VAL 116 1HG1 VAL 116 9.216 -10.566 19.625 953 2HG1 VAL 116 2HG1 VAL 116 7.666 -9.737 19.756 954 3HG1 VAL 116 3HG1 VAL 116 8.408 -9.973 18.174 955 1HG2 VAL 116 1HG2 VAL 116 5.995 -10.533 18.120 956 2HG2 VAL 116 2HG2 VAL 116 5.459 -11.478 19.509 957 3HG2 VAL 116 3HG2 VAL 116 5.730 -12.269 17.957 958 HA PRO 117 HA PRO 117 11.909 -13.157 19.698 959 1HB PRO 117 1HB PRO 117 11.966 -15.539 21.032 960 2HB PRO 117 2HB PRO 117 11.310 -14.052 21.743 961 1HG PRO 117 1HG PRO 117 9.896 -16.400 20.634 962 2HG PRO 117 2HG PRO 117 9.426 -15.307 21.943 963 1HD PRO 117 1HD PRO 117 8.441 -15.252 19.345 964 2HD PRO 117 2HD PRO 117 8.310 -13.940 20.531 965 H CYS 118 H CYS 118 13.842 -14.344 18.969 966 HA CYS 118 HA CYS 118 13.266 -16.492 16.950 967 1HB CYS 118 1HB CYS 118 14.995 -14.024 16.898 968 2HB CYS 118 2HB CYS 118 15.372 -15.393 15.853 969 HG CYS 118 HG CYS 118 13.723 -13.863 14.529 970 H THR 119 H THR 119 14.987 -18.133 16.754 971 HA THR 119 HA THR 119 16.823 -18.201 19.130 972 HB THR 119 HB THR 119 16.582 -20.722 18.746 973 HG1 THR 119 HG1 THR 119 14.992 -21.376 17.396 974 1HG2 THR 119 1HG2 THR 119 14.526 -18.824 19.723 975 2HG2 THR 119 2HG2 THR 119 15.315 -20.160 20.561 976 3HG2 THR 119 3HG2 THR 119 13.978 -20.479 19.456 977 H VAL 120 H VAL 120 18.800 -17.466 18.202 978 HA VAL 120 HA VAL 120 19.706 -18.892 15.718 979 HB VAL 120 HB VAL 120 20.407 -16.150 16.828 980 1HG1 VAL 120 1HG1 VAL 120 21.726 -15.817 14.876 981 2HG1 VAL 120 2HG1 VAL 120 21.070 -17.256 14.094 982 3HG1 VAL 120 3HG1 VAL 120 22.176 -17.420 15.458 983 1HG2 VAL 120 1HG2 VAL 120 18.812 -16.884 14.354 984 2HG2 VAL 120 2HG2 VAL 120 19.072 -15.267 15.009 985 3HG2 VAL 120 3HG2 VAL 120 18.079 -16.427 15.892 986 1H GLN 1 1H GLN 1 -0.056 -5.847 -24.050 987 2H GLN 1 2H GLN 1 -0.797 -4.317 -24.062 988 3H GLN 1 3H GLN 1 -1.289 -5.494 -22.940 989 HA GLN 1 HA GLN 1 1.370 -4.155 -23.010 990 1HB GLN 1 1HB GLN 1 -1.231 -3.819 -21.560 991 2HB GLN 1 2HB GLN 1 0.260 -3.474 -20.684 992 1HG GLN 1 1HG GLN 1 0.951 -1.958 -22.551 993 2HG GLN 1 2HG GLN 1 -0.622 -2.225 -23.301 994 1HE2 GLN 1 1HE2 GLN 1 -2.452 -2.032 -21.249 995 2HE2 GLN 1 2HE2 GLN 1 -2.314 -0.541 -20.453 996 H LYS 2 H LYS 2 2.946 -5.469 -22.078 997 HA LYS 2 HA LYS 2 2.054 -7.483 -20.043 998 1HB LYS 2 1HB LYS 2 3.594 -7.742 -22.589 999 2HB LYS 2 2HB LYS 2 4.094 -8.757 -21.235 1000 1HG LYS 2 1HG LYS 2 1.712 -9.510 -20.998 1001 2HG LYS 2 2HG LYS 2 1.328 -8.613 -22.467 1002 1HD LYS 2 1HD LYS 2 2.631 -10.023 -23.822 1003 2HD LYS 2 2HD LYS 2 3.566 -10.627 -22.454 1004 1HE LYS 2 1HE LYS 2 0.603 -11.126 -22.499 1005 2HE LYS 2 2HE LYS 2 1.666 -12.142 -23.493 1006 1HZ LYS 2 1HZ LYS 2 3.065 -12.495 -21.531 1007 2HZ LYS 2 2HZ LYS 2 1.485 -13.070 -21.281 1008 3HZ LYS 2 3HZ LYS 2 1.977 -11.598 -20.587 1009 H THR 3 H THR 3 3.086 -6.938 -18.112 1010 HA THR 3 HA THR 3 5.883 -5.855 -18.299 1011 HB THR 3 HB THR 3 5.094 -4.778 -16.041 1012 HG1 THR 3 HG1 THR 3 2.915 -4.585 -15.854 1013 1HG2 THR 3 1HG2 THR 3 3.947 -3.878 -18.699 1014 2HG2 THR 3 2HG2 THR 3 5.570 -3.520 -18.109 1015 3HG2 THR 3 3HG2 THR 3 4.163 -2.859 -17.276 1016 H GLY 4 H GLY 4 7.106 -6.267 -16.114 1017 1HA GLY 4 1HA GLY 4 6.277 -8.911 -14.982 1018 2HA GLY 4 2HA GLY 4 7.958 -8.558 -15.383 1019 H THR 5 H THR 5 7.060 -9.261 -12.711 1020 HA THR 5 HA THR 5 7.638 -6.676 -11.297 1021 HB THR 5 HB THR 5 6.005 -8.900 -10.101 1022 HG1 THR 5 HG1 THR 5 4.206 -8.150 -11.112 1023 1HG2 THR 5 1HG2 THR 5 5.831 -5.884 -9.880 1024 2HG2 THR 5 2HG2 THR 5 6.743 -6.910 -8.775 1025 3HG2 THR 5 3HG2 THR 5 4.990 -7.065 -8.877 1026 H ALA 6 H ALA 6 8.933 -6.934 -9.307 1027 HA ALA 6 HA ALA 6 10.181 -9.631 -8.944 1028 1HB ALA 6 1HB ALA 6 11.948 -7.270 -8.688 1029 2HB ALA 6 2HB ALA 6 11.351 -7.568 -10.321 1030 3HB ALA 6 3HB ALA 6 12.254 -8.821 -9.471 1031 H GLU 7 H GLU 7 8.131 -8.320 -7.277 1032 HA GLU 7 HA GLU 7 7.739 -7.800 -5.011 1033 1HB GLU 7 1HB GLU 7 9.803 -9.744 -5.221 1034 2HB GLU 7 2HB GLU 7 10.320 -8.614 -3.971 1035 1HG GLU 7 1HG GLU 7 8.043 -8.862 -2.915 1036 2HG GLU 7 2HG GLU 7 7.703 -10.138 -4.083 1037 H VAL 8 H VAL 8 8.460 -5.587 -6.455 1038 HA VAL 8 HA VAL 8 10.820 -4.172 -5.691 1039 HB VAL 8 HB VAL 8 8.025 -3.108 -6.266 1040 1HG1 VAL 8 1HG1 VAL 8 9.648 -1.490 -5.171 1041 2HG1 VAL 8 2HG1 VAL 8 9.075 -0.999 -6.765 1042 3HG1 VAL 8 3HG1 VAL 8 10.686 -1.694 -6.582 1043 1HG2 VAL 8 1HG2 VAL 8 10.280 -4.117 -7.932 1044 2HG2 VAL 8 2HG2 VAL 8 9.441 -2.681 -8.521 1045 3HG2 VAL 8 3HG2 VAL 8 8.544 -4.174 -8.240 1046 H SER 9 H SER 9 7.634 -4.362 -4.035 1047 HA SER 9 HA SER 9 8.171 -2.497 -1.923 1048 1HB SER 9 1HB SER 9 5.977 -3.654 -2.443 1049 2HB SER 9 2HB SER 9 6.637 -5.117 -1.717 1050 HG SER 9 HG SER 9 5.467 -3.937 -0.185 1051 H SER 10 H SER 10 9.021 -5.970 -2.253 1052 HA SER 10 HA SER 10 10.169 -6.258 0.401 1053 1HB SER 10 1HB SER 10 9.517 -8.159 -1.053 1054 2HB SER 10 2HB SER 10 10.755 -7.696 -2.217 1055 HG SER 10 HG SER 10 11.240 -9.391 -0.541 1056 H ILE 11 H ILE 11 11.588 -5.432 -2.800 1057 HA ILE 11 HA ILE 11 14.315 -5.201 -1.820 1058 HB ILE 11 HB ILE 11 12.930 -3.903 -4.203 1059 1HG1 ILE 11 1HG1 ILE 11 14.719 -6.258 -4.513 1060 2HG1 ILE 11 2HG1 ILE 11 13.163 -6.572 -3.746 1061 1HG2 ILE 11 1HG2 ILE 11 14.976 -2.762 -3.976 1062 2HG2 ILE 11 2HG2 ILE 11 15.368 -4.069 -5.094 1063 3HG2 ILE 11 3HG2 ILE 11 15.818 -4.198 -3.394 1064 1HD1 ILE 11 1HD1 ILE 11 13.524 -6.523 -6.441 1065 2HD1 ILE 11 2HD1 ILE 11 13.063 -4.847 -6.152 1066 3HD1 ILE 11 3HD1 ILE 11 11.988 -6.155 -5.658 1067 H LEU 12 H LEU 12 11.646 -2.830 -2.250 1068 HA LEU 12 HA LEU 12 13.136 -0.484 -1.503 1069 1HB LEU 12 1HB LEU 12 10.699 -0.823 -2.450 1070 2HB LEU 12 2HB LEU 12 10.245 -0.886 -0.747 1071 HG LEU 12 HG LEU 12 11.841 1.295 -0.702 1072 1HD1 LEU 12 1HD1 LEU 12 12.049 0.957 -3.271 1073 2HD1 LEU 12 2HD1 LEU 12 11.705 2.580 -2.673 1074 3HD1 LEU 12 3HD1 LEU 12 10.405 1.590 -3.336 1075 1HD2 LEU 12 1HD2 LEU 12 9.878 2.490 -0.356 1076 2HD2 LEU 12 2HD2 LEU 12 9.280 0.841 -0.163 1077 3HD2 LEU 12 3HD2 LEU 12 9.037 1.696 -1.687 1078 H GLU 13 H GLU 13 11.467 -2.964 0.492 1079 HA GLU 13 HA GLU 13 11.592 -1.639 3.019 1080 1HB GLU 13 1HB GLU 13 10.602 -3.971 2.220 1081 2HB GLU 13 2HB GLU 13 12.154 -4.583 2.794 1082 1HG GLU 13 1HG GLU 13 11.541 -3.034 4.893 1083 2HG GLU 13 2HG GLU 13 9.904 -3.379 4.337 1084 H GLU 14 H GLU 14 14.108 -3.546 1.300 1085 HA GLU 14 HA GLU 14 16.036 -3.666 3.416 1086 1HB GLU 14 1HB GLU 14 16.083 -4.799 1.125 1087 2HB GLU 14 2HB GLU 14 16.652 -3.263 0.471 1088 1HG GLU 14 1HG GLU 14 18.696 -3.395 1.564 1089 2HG GLU 14 2HG GLU 14 18.059 -4.420 2.849 1090 H ARG 15 H ARG 15 15.369 -1.051 1.048 1091 HA ARG 15 HA ARG 15 17.602 0.632 1.646 1092 1HB ARG 15 1HB ARG 15 15.609 0.780 -0.105 1093 2HB ARG 15 2HB ARG 15 14.879 1.797 1.137 1094 1HG ARG 15 1HG ARG 15 16.064 3.470 0.149 1095 2HG ARG 15 2HG ARG 15 17.422 2.809 1.061 1096 1HD ARG 15 1HD ARG 15 16.675 1.963 -1.765 1097 2HD ARG 15 2HD ARG 15 17.988 3.084 -1.353 1098 HE ARG 15 HE ARG 15 17.892 0.226 -0.466 1099 1HH1 ARG 15 1HH2 ARG 15 19.523 2.868 0.526 1100 2HH1 ARG 15 2HH2 ARG 15 21.101 2.357 0.029 1101 1HH2 ARG 15 1HH1 ARG 15 19.935 -0.318 -1.843 1102 2HH2 ARG 15 2HH1 ARG 15 21.334 0.552 -1.313 1103 H ILE 16 H ILE 16 14.487 0.246 3.388 1104 HA ILE 16 HA ILE 16 15.271 2.401 5.296 1105 HB ILE 16 HB ILE 16 12.794 0.642 5.138 1106 1HG1 ILE 16 1HG1 ILE 16 13.102 3.526 4.262 1107 2HG1 ILE 16 2HG1 ILE 16 13.269 2.169 3.147 1108 1HG2 ILE 16 1HG2 ILE 16 11.909 1.865 6.866 1109 2HG2 ILE 16 2HG2 ILE 16 12.785 3.328 6.419 1110 3HG2 ILE 16 3HG2 ILE 16 13.609 2.041 7.298 1111 1HD1 ILE 16 1HD1 ILE 16 10.853 2.159 4.880 1112 2HD1 ILE 16 2HD1 ILE 16 11.030 1.680 3.191 1113 3HD1 ILE 16 3HD1 ILE 16 10.905 3.387 3.615 1114 H LEU 17 H LEU 17 14.543 -1.136 5.324 1115 HA LEU 17 HA LEU 17 16.044 -1.290 7.919 1116 1HB LEU 17 1HB LEU 17 13.335 -2.164 7.095 1117 2HB LEU 17 2HB LEU 17 14.252 -3.351 8.024 1118 HG LEU 17 HG LEU 17 14.781 -1.292 9.579 1119 1HD1 LEU 17 1HD1 LEU 17 12.417 0.004 9.528 1120 2HD1 LEU 17 2HD1 LEU 17 12.579 -0.355 7.809 1121 3HD1 LEU 17 3HD1 LEU 17 13.829 0.573 8.639 1122 1HD2 LEU 17 1HD2 LEU 17 13.196 -2.143 11.029 1123 2HD2 LEU 17 2HD2 LEU 17 13.185 -3.428 9.822 1124 3HD2 LEU 17 3HD2 LEU 17 11.937 -2.184 9.795 1125 H GLY 18 H GLY 18 17.939 -1.888 6.475 1126 1HA GLY 18 1HA GLY 18 17.733 -4.749 5.619 1127 2HA GLY 18 2HA GLY 18 18.595 -3.558 4.642 1128 H ALA 19 H ALA 19 18.608 -3.921 8.219 1129 HA ALA 19 HA ALA 19 21.551 -4.490 8.025 1130 1HB ALA 19 1HB ALA 19 20.377 -3.018 10.344 1131 2HB ALA 19 2HB ALA 19 20.475 -2.156 8.810 1132 3HB ALA 19 3HB ALA 19 21.939 -2.798 9.555 1133 H ASP 20 H ASP 20 20.302 -6.801 8.158 1134 HA ASP 20 HA ASP 20 20.344 -7.567 11.046 1135 1HB ASP 20 1HB ASP 20 18.143 -7.787 9.024 1136 2HB ASP 20 2HB ASP 20 18.306 -9.071 10.223 1137 H THR 21 H THR 21 19.655 -9.183 7.877 1138 HA THR 21 HA THR 21 21.995 -10.983 8.406 1139 HB THR 21 HB THR 21 20.425 -12.802 7.506 1140 HG1 THR 21 HG1 THR 21 18.803 -11.613 6.647 1141 1HG2 THR 21 1HG2 THR 21 19.031 -12.645 9.785 1142 2HG2 THR 21 2HG2 THR 21 20.245 -11.415 10.139 1143 3HG2 THR 21 3HG2 THR 21 20.743 -13.066 9.770 1144 H SER 22 H SER 22 23.057 -9.548 6.711 1145 HA SER 22 HA SER 22 22.294 -10.458 3.968 1146 1HB SER 22 1HB SER 22 22.967 -7.600 4.713 1147 2HB SER 22 2HB SER 22 22.348 -8.183 3.172 1148 HG SER 22 HG SER 22 20.602 -7.421 4.262 1149 H VAL 23 H VAL 23 24.239 -9.089 2.513 1150 HA VAL 23 HA VAL 23 26.792 -10.034 3.781 1151 HB VAL 23 HB VAL 23 25.926 -9.863 0.871 1152 1HG1 VAL 23 1HG1 VAL 23 28.254 -9.650 0.781 1153 2HG1 VAL 23 2HG1 VAL 23 28.049 -11.400 0.710 1154 3HG1 VAL 23 3HG1 VAL 23 28.498 -10.626 2.230 1155 1HG2 VAL 23 1HG2 VAL 23 26.225 -12.183 2.802 1156 2HG2 VAL 23 2HG2 VAL 23 26.058 -12.384 1.057 1157 3HG2 VAL 23 3HG2 VAL 23 24.751 -11.655 1.990 1158 H ASP 24 H ASP 24 25.691 -7.727 1.205 1159 HA ASP 24 HA ASP 24 27.389 -5.620 2.460 1160 1HB ASP 24 1HB ASP 24 27.791 -7.052 -0.114 1161 2HB ASP 24 2HB ASP 24 28.018 -5.304 -0.162 1162 H LEU 25 H LEU 25 25.591 -6.068 -0.654 1163 HA LEU 25 HA LEU 25 23.766 -3.848 0.174 1164 1HB LEU 25 1HB LEU 25 25.885 -3.290 -1.300 1165 2HB LEU 25 2HB LEU 25 24.916 -3.985 -2.600 1166 HG LEU 25 HG LEU 25 23.631 -1.971 -0.797 1167 1HD1 LEU 25 1HD1 LEU 25 25.959 -1.152 -1.581 1168 2HD1 LEU 25 2HD1 LEU 25 24.573 -0.112 -1.913 1169 3HD1 LEU 25 3HD1 LEU 25 25.249 -1.115 -3.196 1170 1HD2 LEU 25 1HD2 LEU 25 22.386 -3.199 -2.583 1171 2HD2 LEU 25 2HD2 LEU 25 23.474 -2.498 -3.781 1172 3HD2 LEU 25 3HD2 LEU 25 22.403 -1.454 -2.847 Start of MODEL 15 1 1H PHE 1 1H PHE 1 -25.091 -21.638 7.925 2 2H PHE 1 2H PHE 1 -26.639 -21.506 8.614 3 3H PHE 1 3H PHE 1 -25.773 -20.107 8.190 4 HA PHE 1 HA PHE 1 -26.658 -22.147 6.213 5 1HB PHE 1 1HB PHE 1 -28.319 -20.701 7.757 6 2HB PHE 1 2HB PHE 1 -27.956 -19.478 6.540 7 HD1 PHE 1 HD1 PHE 1 -30.250 -21.923 7.337 8 HD2 PHE 1 HD2 PHE 1 -27.833 -20.632 4.029 9 HE1 PHE 1 HE1 PHE 1 -31.819 -23.022 5.761 10 HE2 PHE 1 HE2 PHE 1 -29.401 -21.731 2.454 11 HZ PHE 1 HZ PHE 1 -31.394 -22.927 3.320 12 H ALA 2 H ALA 2 -25.012 -21.882 4.650 13 HA ALA 2 HA ALA 2 -24.484 -19.072 3.747 14 1HB ALA 2 1HB ALA 2 -22.299 -21.098 3.662 15 2HB ALA 2 2HB ALA 2 -22.754 -20.492 5.255 16 3HB ALA 2 3HB ALA 2 -22.213 -19.370 4.006 17 H LYS 3 H LYS 3 -25.522 -19.147 1.709 18 HA LYS 3 HA LYS 3 -24.524 -21.214 -0.201 19 1HB LYS 3 1HB LYS 3 -27.270 -20.763 0.847 20 2HB LYS 3 2HB LYS 3 -27.144 -21.057 -0.888 21 1HG LYS 3 1HG LYS 3 -25.532 -23.014 -0.093 22 2HG LYS 3 2HG LYS 3 -26.467 -22.868 1.396 23 1HD LYS 3 1HD LYS 3 -27.595 -24.493 0.033 24 2HD LYS 3 2HD LYS 3 -28.561 -23.019 -0.035 25 1HE LYS 3 1HE LYS 3 -28.442 -23.404 -2.306 26 2HE LYS 3 2HE LYS 3 -26.872 -22.594 -2.137 27 1HZ LYS 3 1HZ LYS 3 -25.798 -24.680 -1.806 28 2HZ LYS 3 2HZ LYS 3 -26.742 -24.821 -3.211 29 3HZ LYS 3 3HZ LYS 3 -27.276 -25.511 -1.753 30 H LEU 4 H LEU 4 -23.296 -19.329 -1.108 31 HA LEU 4 HA LEU 4 -25.068 -17.371 -2.538 32 1HB LEU 4 1HB LEU 4 -22.463 -17.214 -1.081 33 2HB LEU 4 2HB LEU 4 -22.684 -16.147 -2.468 34 HG LEU 4 HG LEU 4 -25.044 -15.722 -1.288 35 1HD1 LEU 4 1HD1 LEU 4 -24.503 -15.567 1.229 36 2HD1 LEU 4 2HD1 LEU 4 -23.183 -16.684 0.888 37 3HD1 LEU 4 3HD1 LEU 4 -24.850 -17.170 0.582 38 1HD2 LEU 4 1HD2 LEU 4 -24.141 -13.681 -0.465 39 2HD2 LEU 4 2HD2 LEU 4 -23.092 -14.125 -1.812 40 3HD2 LEU 4 3HD2 LEU 4 -22.567 -14.412 -0.153 41 H VAL 5 H VAL 5 -23.465 -16.391 -4.479 42 HA VAL 5 HA VAL 5 -22.287 -18.759 -5.891 43 HB VAL 5 HB VAL 5 -24.582 -18.311 -6.662 44 1HG1 VAL 5 1HG1 VAL 5 -25.231 -16.146 -6.402 45 2HG1 VAL 5 2HG1 VAL 5 -24.564 -15.935 -8.020 46 3HG1 VAL 5 3HG1 VAL 5 -23.594 -15.525 -6.606 47 1HG2 VAL 5 1HG2 VAL 5 -22.451 -18.721 -8.246 48 2HG2 VAL 5 2HG2 VAL 5 -22.954 -17.153 -8.877 49 3HG2 VAL 5 3HG2 VAL 5 -24.076 -18.513 -8.900 50 H ARG 6 H ARG 6 -20.519 -17.120 -4.589 51 HA ARG 6 HA ARG 6 -19.482 -15.302 -6.743 52 1HB ARG 6 1HB ARG 6 -19.734 -15.066 -3.757 53 2HB ARG 6 2HB ARG 6 -18.441 -14.194 -4.582 54 1HG ARG 6 1HG ARG 6 -20.422 -13.484 -6.204 55 2HG ARG 6 2HG ARG 6 -21.404 -13.822 -4.778 56 1HD ARG 6 1HD ARG 6 -18.930 -12.149 -4.447 57 2HD ARG 6 2HD ARG 6 -20.394 -11.401 -5.115 58 HE ARG 6 HE ARG 6 -20.432 -12.918 -2.531 59 1HH1 ARG 6 1HH1 ARG 6 -19.963 -9.861 -2.708 60 2HH1 ARG 6 2HH1 ARG 6 -21.556 -9.284 -2.350 61 1HH2 ARG 6 1HH2 ARG 6 -23.073 -12.358 -2.867 62 2HH2 ARG 6 2HH2 ARG 6 -23.317 -10.697 -2.441 63 HA PRO 7 HA PRO 7 -15.910 -17.915 -6.508 64 1HB PRO 7 1HB PRO 7 -14.047 -16.270 -7.650 65 2HB PRO 7 2HB PRO 7 -15.301 -17.106 -8.588 66 1HG PRO 7 1HG PRO 7 -15.183 -14.276 -7.685 67 2HG PRO 7 2HG PRO 7 -15.798 -14.955 -9.199 68 1HD PRO 7 1HD PRO 7 -17.392 -14.153 -7.124 69 2HD PRO 7 2HD PRO 7 -17.859 -15.382 -8.319 70 HA PRO 8 HA PRO 8 -14.098 -16.301 -2.738 71 1HB PRO 8 1HB PRO 8 -12.375 -18.360 -2.219 72 2HB PRO 8 2HB PRO 8 -14.120 -18.462 -1.911 73 1HG PRO 8 1HG PRO 8 -12.528 -19.570 -4.161 74 2HG PRO 8 2HG PRO 8 -13.922 -20.258 -3.316 75 1HD PRO 8 1HD PRO 8 -14.058 -19.048 -5.771 76 2HD PRO 8 2HD PRO 8 -15.423 -19.164 -4.640 77 H VAL 9 H VAL 9 -12.349 -14.865 -2.519 78 HA VAL 9 HA VAL 9 -9.830 -15.433 -3.995 79 HB VAL 9 HB VAL 9 -9.901 -13.193 -5.045 80 1HG1 VAL 9 1HG1 VAL 9 -12.471 -14.669 -5.651 81 2HG1 VAL 9 2HG1 VAL 9 -10.887 -15.282 -6.127 82 3HG1 VAL 9 3HG1 VAL 9 -11.464 -13.742 -6.764 83 1HG2 VAL 9 1HG2 VAL 9 -12.143 -12.860 -3.215 84 2HG2 VAL 9 2HG2 VAL 9 -12.623 -12.487 -4.868 85 3HG2 VAL 9 3HG2 VAL 9 -11.264 -11.641 -4.131 86 H GLN 10 H GLN 10 -8.179 -15.079 -2.543 87 HA GLN 10 HA GLN 10 -7.979 -12.634 -0.977 88 1HB GLN 10 1HB GLN 10 -8.275 -13.722 1.244 89 2HB GLN 10 2HB GLN 10 -9.749 -13.796 0.280 90 1HG GLN 10 1HG GLN 10 -8.565 -16.111 -0.502 91 2HG GLN 10 2HG GLN 10 -7.939 -15.986 1.141 92 1HE2 GLN 10 1HE2 GLN 10 -9.298 -17.627 2.126 93 2HE2 GLN 10 2HE2 GLN 10 -10.986 -17.471 2.207 94 H ILE 11 H ILE 11 -5.763 -12.320 -0.598 95 HA ILE 11 HA ILE 11 -3.465 -12.784 -0.427 96 HB ILE 11 HB ILE 11 -4.594 -15.417 0.554 97 1HG1 ILE 11 1HG1 ILE 11 -3.844 -14.200 2.783 98 2HG1 ILE 11 2HG1 ILE 11 -4.049 -12.747 1.805 99 1HG2 ILE 11 1HG2 ILE 11 -2.382 -15.988 0.310 100 2HG2 ILE 11 2HG2 ILE 11 -2.250 -15.142 1.852 101 3HG2 ILE 11 3HG2 ILE 11 -1.844 -14.309 0.350 102 1HD1 ILE 11 1HD1 ILE 11 -6.334 -13.073 1.551 103 2HD1 ILE 11 2HD1 ILE 11 -6.090 -13.734 3.168 104 3HD1 ILE 11 3HD1 ILE 11 -6.216 -14.818 1.782 105 H TYR 12 H TYR 12 -2.079 -13.185 -2.154 106 HA TYR 12 HA TYR 12 -2.586 -15.608 -3.835 107 1HB TYR 12 1HB TYR 12 -2.161 -12.830 -4.994 108 2HB TYR 12 2HB TYR 12 -2.724 -14.272 -5.835 109 HD1 TYR 12 HD1 TYR 12 -3.634 -11.726 -3.283 110 HD2 TYR 12 HD2 TYR 12 -5.061 -14.904 -5.798 111 HE1 TYR 12 HE1 TYR 12 -5.952 -11.166 -2.669 112 HE2 TYR 12 HE2 TYR 12 -7.392 -14.320 -5.197 113 HH TYR 12 HH TYR 12 -8.457 -11.766 -4.235 114 H GLY 13 H GLY 13 -0.416 -12.698 -3.731 115 1HA GLY 13 1HA GLY 13 1.936 -14.191 -3.101 116 2HA GLY 13 2HA GLY 13 1.841 -14.040 -4.853 117 H ILE 14 H ILE 14 2.326 -12.007 -5.808 118 HA ILE 14 HA ILE 14 4.012 -10.186 -4.423 119 HB ILE 14 HB ILE 14 2.228 -9.864 -6.863 120 1HG1 ILE 14 1HG1 ILE 14 4.073 -11.498 -7.016 121 2HG1 ILE 14 2HG1 ILE 14 4.371 -10.114 -8.065 122 1HG2 ILE 14 1HG2 ILE 14 2.724 -7.623 -5.833 123 2HG2 ILE 14 2HG2 ILE 14 3.441 -7.832 -7.430 124 3HG2 ILE 14 3HG2 ILE 14 4.443 -7.985 -5.989 125 1HD1 ILE 14 1HD1 ILE 14 5.979 -11.100 -5.873 126 2HD1 ILE 14 2HD1 ILE 14 5.485 -9.438 -5.545 127 3HD1 ILE 14 3HD1 ILE 14 6.356 -9.824 -7.031 128 H GLU 15 H GLU 15 0.444 -10.078 -4.812 129 HA GLU 15 HA GLU 15 0.125 -7.495 -3.526 130 1HB GLU 15 1HB GLU 15 -1.714 -9.877 -3.937 131 2HB GLU 15 2HB GLU 15 -2.264 -8.363 -3.217 132 1HG GLU 15 1HG GLU 15 -2.197 -7.239 -5.205 133 2HG GLU 15 2HG GLU 15 -0.742 -8.076 -5.746 134 H GLY 16 H GLY 16 0.218 -10.875 -2.276 135 1HA GLY 16 1HA GLY 16 -0.384 -10.045 0.457 136 2HA GLY 16 2HA GLY 16 0.225 -11.631 -0.036 137 H ARG 17 H ARG 17 2.604 -11.023 -1.308 138 HA ARG 17 HA ARG 17 4.416 -10.493 0.883 139 1HB ARG 17 1HB ARG 17 4.830 -10.365 -2.130 140 2HB ARG 17 2HB ARG 17 6.128 -10.422 -0.938 141 1HG ARG 17 1HG ARG 17 4.071 -12.536 -0.661 142 2HG ARG 17 2HG ARG 17 5.061 -12.637 -2.117 143 1HD ARG 17 1HD ARG 17 7.112 -12.608 -0.772 144 2HD ARG 17 2HD ARG 17 6.155 -12.416 0.711 145 HE ARG 17 HE ARG 17 5.930 -14.811 -1.078 146 1HH1 ARG 17 1HH1 ARG 17 3.885 -14.052 1.134 147 2HH1 ARG 17 2HH1 ARG 17 4.394 -15.122 2.397 148 1HH2 ARG 17 1HH2 ARG 17 7.445 -15.848 0.916 149 2HH2 ARG 17 2HH2 ARG 17 6.409 -16.139 2.275 150 H TYR 18 H TYR 18 2.916 -8.355 -1.555 151 HA TYR 18 HA TYR 18 4.603 -6.074 -1.267 152 1HB TYR 18 1HB TYR 18 1.821 -6.652 -2.118 153 2HB TYR 18 2HB TYR 18 2.051 -5.016 -1.523 154 HD1 TYR 18 HD1 TYR 18 1.646 -3.997 -3.679 155 HD2 TYR 18 HD2 TYR 18 4.799 -6.879 -3.179 156 HE1 TYR 18 HE1 TYR 18 2.587 -3.356 -5.876 157 HE2 TYR 18 HE2 TYR 18 5.741 -6.224 -5.374 158 HH TYR 18 HH TYR 18 4.371 -4.958 -7.659 159 H ALA 19 H ALA 19 1.862 -7.163 0.785 160 HA ALA 19 HA ALA 19 2.125 -4.814 2.556 161 1HB ALA 19 1HB ALA 19 -0.057 -5.641 2.558 162 2HB ALA 19 2HB ALA 19 0.588 -6.461 3.982 163 3HB ALA 19 3HB ALA 19 0.473 -7.320 2.444 164 H THR 20 H THR 20 3.122 -8.264 2.630 165 HA THR 20 HA THR 20 4.227 -8.019 5.318 166 HB THR 20 HB THR 20 5.415 -10.242 4.210 167 HG1 THR 20 HG1 THR 20 3.859 -11.123 2.836 168 1HG2 THR 20 1HG2 THR 20 4.177 -10.311 6.263 169 2HG2 THR 20 2HG2 THR 20 3.372 -11.429 5.161 170 3HG2 THR 20 3HG2 THR 20 2.684 -9.828 5.452 171 H ALA 21 H ALA 21 5.510 -7.360 2.079 172 HA ALA 21 HA ALA 21 8.296 -7.400 3.049 173 1HB ALA 21 1HB ALA 21 6.896 -6.572 0.496 174 2HB ALA 21 2HB ALA 21 8.014 -7.914 0.742 175 3HB ALA 21 3HB ALA 21 8.616 -6.256 0.734 176 H LEU 22 H LEU 22 5.652 -5.078 3.038 177 HA LEU 22 HA LEU 22 7.580 -2.827 3.497 178 1HB LEU 22 1HB LEU 22 5.674 -2.512 1.919 179 2HB LEU 22 2HB LEU 22 4.551 -2.893 3.224 180 HG LEU 22 HG LEU 22 6.098 -0.928 4.378 181 1HD1 LEU 22 1HD1 LEU 22 6.095 -0.584 1.415 182 2HD1 LEU 22 2HD1 LEU 22 7.297 -0.083 2.606 183 3HD1 LEU 22 3HD1 LEU 22 5.817 0.854 2.399 184 1HD2 LEU 22 1HD2 LEU 22 3.437 -1.074 3.063 185 2HD2 LEU 22 2HD2 LEU 22 4.057 0.547 3.377 186 3HD2 LEU 22 3HD2 LEU 22 3.857 -0.594 4.708 187 H TYR 23 H TYR 23 4.865 -4.578 5.063 188 HA TYR 23 HA TYR 23 5.284 -3.105 7.549 189 1HB TYR 23 1HB TYR 23 3.185 -3.845 7.921 190 2HB TYR 23 2HB TYR 23 3.239 -4.642 6.360 191 HD1 TYR 23 HD1 TYR 23 2.893 -6.905 6.246 192 HD2 TYR 23 HD2 TYR 23 4.305 -5.189 9.908 193 HE1 TYR 23 HE1 TYR 23 2.768 -9.102 7.311 194 HE2 TYR 23 HE2 TYR 23 4.156 -7.390 11.007 195 HH TYR 23 HH TYR 23 4.161 -10.142 9.606 196 H SER 24 H SER 24 6.842 -5.890 6.055 197 HA SER 24 HA SER 24 7.576 -7.462 8.309 198 1HB SER 24 1HB SER 24 8.434 -8.319 6.332 199 2HB SER 24 2HB SER 24 8.828 -6.726 5.693 200 HG SER 24 HG SER 24 10.665 -8.035 6.335 201 H ALA 25 H ALA 25 8.874 -4.310 7.209 202 HA ALA 25 HA ALA 25 10.842 -4.162 9.399 203 1HB ALA 25 1HB ALA 25 10.522 -2.906 6.964 204 2HB ALA 25 2HB ALA 25 11.561 -2.301 8.254 205 3HB ALA 25 3HB ALA 25 9.923 -1.673 8.074 206 H ALA 26 H ALA 26 7.537 -2.911 8.670 207 HA ALA 26 HA ALA 26 7.219 -1.269 11.006 208 1HB ALA 26 1HB ALA 26 4.857 -1.425 10.519 209 2HB ALA 26 2HB ALA 26 5.069 -2.965 9.689 210 3HB ALA 26 3HB ALA 26 5.690 -1.481 8.966 211 H SER 27 H SER 27 6.785 -4.810 10.538 212 HA SER 27 HA SER 27 5.541 -5.432 13.033 213 1HB SER 27 1HB SER 27 6.201 -7.663 12.567 214 2HB SER 27 2HB SER 27 6.143 -6.917 10.973 215 HG SER 27 HG SER 27 8.349 -7.658 12.541 216 H LYS 28 H LYS 28 9.023 -5.017 12.233 217 HA LYS 28 HA LYS 28 10.036 -5.698 14.857 218 1HB LYS 28 1HB LYS 28 11.228 -5.298 12.533 219 2HB LYS 28 2HB LYS 28 11.322 -3.625 13.084 220 1HG LYS 28 1HG LYS 28 13.291 -4.403 13.992 221 2HG LYS 28 2HG LYS 28 12.200 -4.817 15.316 222 1HD LYS 28 1HD LYS 28 11.878 -7.050 13.936 223 2HD LYS 28 2HD LYS 28 13.446 -6.607 13.259 224 1HE LYS 28 1HE LYS 28 14.044 -6.211 15.836 225 2HE LYS 28 2HE LYS 28 12.757 -7.412 16.056 226 1HZ LYS 28 1HZ LYS 28 13.851 -8.778 14.339 227 2HZ LYS 28 2HZ LYS 28 14.830 -8.552 15.708 228 3HZ LYS 28 3HZ LYS 28 15.133 -7.669 14.289 229 H GLN 29 H GLN 29 8.894 -2.603 13.428 230 HA GLN 29 HA GLN 29 9.454 -1.169 15.966 231 1HB GLN 29 1HB GLN 29 8.215 -0.294 13.337 232 2HB GLN 29 2HB GLN 29 8.646 0.789 14.662 233 1HG GLN 29 1HG GLN 29 11.007 0.024 14.486 234 2HG GLN 29 2HG GLN 29 10.556 -0.981 13.107 235 1HE2 GLN 29 1HE2 GLN 29 9.877 0.159 11.082 236 2HE2 GLN 29 2HE2 GLN 29 10.295 1.787 10.850 237 H ASN 30 H ASN 30 6.868 -3.127 14.893 238 HA ASN 30 HA ASN 30 4.734 -3.473 15.783 239 1HB ASN 30 1HB ASN 30 6.160 -2.564 17.871 240 2HB ASN 30 2HB ASN 30 5.055 -1.199 17.700 241 1HD2 ASN 30 1HD2 ASN 30 2.951 -1.463 18.592 242 2HD2 ASN 30 2HD2 ASN 30 2.331 -2.955 19.112 243 H LYS 31 H LYS 31 5.094 -1.794 13.496 244 HA LYS 31 HA LYS 31 3.141 0.418 13.983 245 1HB LYS 31 1HB LYS 31 5.425 -0.084 12.148 246 2HB LYS 31 2HB LYS 31 4.079 0.850 11.497 247 1HG LYS 31 1HG LYS 31 5.679 2.383 12.508 248 2HG LYS 31 2HG LYS 31 4.212 2.354 13.489 249 1HD LYS 31 1HD LYS 31 5.217 1.106 15.193 250 2HD LYS 31 2HD LYS 31 6.471 0.475 14.126 251 1HE LYS 31 1HE LYS 31 7.490 2.149 15.574 252 2HE LYS 31 2HE LYS 31 7.371 2.849 13.948 253 1HZ LYS 31 1HZ LYS 31 5.257 3.843 14.562 254 2HZ LYS 31 2HZ LYS 31 6.479 4.366 15.620 255 3HZ LYS 31 3HZ LYS 31 5.368 3.183 16.120 256 H LEU 32 H LEU 32 2.800 -2.772 13.136 257 HA LEU 32 HA LEU 32 1.525 -2.925 10.629 258 1HB LEU 32 1HB LEU 32 1.196 -4.280 13.276 259 2HB LEU 32 2HB LEU 32 -0.013 -4.599 12.030 260 HG LEU 32 HG LEU 32 2.734 -4.643 10.992 261 1HD1 LEU 32 1HD1 LEU 32 2.401 -5.834 13.524 262 2HD1 LEU 32 2HD1 LEU 32 3.749 -6.032 12.403 263 3HD1 LEU 32 3HD1 LEU 32 2.390 -7.158 12.357 264 1HD2 LEU 32 1HD2 LEU 32 0.158 -5.960 10.605 265 2HD2 LEU 32 2HD2 LEU 32 1.485 -7.118 10.591 266 3HD2 LEU 32 3HD2 LEU 32 1.496 -5.754 9.472 267 H GLU 33 H GLU 33 0.246 -1.495 13.653 268 HA GLU 33 HA GLU 33 -2.472 -1.136 12.612 269 1HB GLU 33 1HB GLU 33 -0.919 0.273 14.826 270 2HB GLU 33 2HB GLU 33 -2.656 0.436 14.562 271 1HG GLU 33 1HG GLU 33 -1.278 -2.217 15.054 272 2HG GLU 33 2HG GLU 33 -2.035 -1.259 16.327 273 H GLN 34 H GLN 34 0.473 0.914 12.854 274 HA GLN 34 HA GLN 34 -0.616 3.276 11.608 275 1HB GLN 34 1HB GLN 34 2.192 2.138 11.719 276 2HB GLN 34 2HB GLN 34 1.814 3.763 11.146 277 1HG GLN 34 1HG GLN 34 0.499 3.385 13.669 278 2HG GLN 34 2HG GLN 34 2.178 2.880 13.846 279 1HE2 GLN 34 1HE2 GLN 34 0.337 5.625 12.315 280 2HE2 GLN 34 2HE2 GLN 34 1.465 6.805 12.782 281 H VAL 35 H VAL 35 0.520 0.214 10.216 282 HA VAL 35 HA VAL 35 0.446 1.425 7.491 283 HB VAL 35 HB VAL 35 1.147 -1.450 8.088 284 1HG1 VAL 35 1HG1 VAL 35 2.659 -1.137 6.205 285 2HG1 VAL 35 2HG1 VAL 35 2.302 0.590 6.170 286 3HG1 VAL 35 3HG1 VAL 35 1.046 -0.579 5.763 287 1HG2 VAL 35 1HG2 VAL 35 3.613 -0.268 8.186 288 2HG2 VAL 35 2HG2 VAL 35 2.705 -0.732 9.621 289 3HG2 VAL 35 3HG2 VAL 35 2.649 0.934 9.043 290 H GLU 36 H GLU 36 -1.076 -1.229 9.384 291 HA GLU 36 HA GLU 36 -2.765 -2.189 7.246 292 1HB GLU 36 1HB GLU 36 -2.161 -3.249 9.537 293 2HB GLU 36 2HB GLU 36 -3.478 -2.271 10.181 294 1HG GLU 36 1HG GLU 36 -4.921 -3.273 8.306 295 2HG GLU 36 2HG GLU 36 -3.625 -4.450 8.095 296 H LYS 37 H LYS 37 -3.237 0.410 9.676 297 HA LYS 37 HA LYS 37 -6.060 0.762 8.911 298 1HB LYS 37 1HB LYS 37 -4.605 1.306 11.150 299 2HB LYS 37 2HB LYS 37 -4.635 2.902 10.399 300 1HG LYS 37 1HG LYS 37 -7.168 1.292 10.630 301 2HG LYS 37 2HG LYS 37 -6.586 2.234 12.003 302 1HD LYS 37 1HD LYS 37 -6.930 4.259 10.941 303 2HD LYS 37 2HD LYS 37 -6.695 3.574 9.333 304 1HE LYS 37 1HE LYS 37 -8.901 2.975 9.127 305 2HE LYS 37 2HE LYS 37 -9.044 2.547 10.843 306 1HZ LYS 37 1HZ LYS 37 -8.718 5.329 9.862 307 2HZ LYS 37 2HZ LYS 37 -9.072 4.833 11.448 308 3HZ LYS 37 3HZ LYS 37 -10.225 4.636 10.216 309 H GLU 38 H GLU 38 -2.968 2.474 8.204 310 HA GLU 38 HA GLU 38 -4.350 4.598 6.724 311 1HB GLU 38 1HB GLU 38 -1.513 3.689 7.132 312 2HB GLU 38 2HB GLU 38 -1.874 4.836 5.847 313 1HG GLU 38 1HG GLU 38 -1.343 6.121 7.814 314 2HG GLU 38 2HG GLU 38 -3.079 6.252 7.543 315 H LEU 39 H LEU 39 -2.763 1.492 5.858 316 HA LEU 39 HA LEU 39 -2.865 1.736 3.010 317 1HB LEU 39 1HB LEU 39 -2.920 -0.509 4.998 318 2HB LEU 39 2HB LEU 39 -3.314 -0.890 3.323 319 HG LEU 39 HG LEU 39 -0.839 0.666 4.096 320 1HD1 LEU 39 1HD1 LEU 39 -0.704 -1.529 5.167 321 2HD1 LEU 39 2HD1 LEU 39 0.377 -1.491 3.773 322 3HD1 LEU 39 3HD1 LEU 39 -1.176 -2.319 3.663 323 1HD2 LEU 39 1HD2 LEU 39 -0.218 0.425 1.868 324 2HD2 LEU 39 2HD2 LEU 39 -1.969 0.535 1.697 325 3HD2 LEU 39 3HD2 LEU 39 -1.177 -1.039 1.652 326 H LEU 40 H LEU 40 -5.443 0.838 5.356 327 HA LEU 40 HA LEU 40 -7.421 -0.045 3.486 328 1HB LEU 40 1HB LEU 40 -7.400 0.029 6.098 329 2HB LEU 40 2HB LEU 40 -8.074 1.648 5.902 330 HG LEU 40 HG LEU 40 -9.681 0.313 4.202 331 1HD1 LEU 40 1HD1 LEU 40 -9.073 -1.901 4.406 332 2HD1 LEU 40 2HD1 LEU 40 -10.228 -1.813 5.737 333 3HD1 LEU 40 3HD1 LEU 40 -8.498 -1.700 6.062 334 1HD2 LEU 40 1HD2 LEU 40 -11.305 0.178 6.089 335 2HD2 LEU 40 2HD2 LEU 40 -10.436 1.712 6.069 336 3HD2 LEU 40 3HD2 LEU 40 -9.981 0.455 7.220 337 H ARG 41 H ARG 41 -6.469 3.285 4.426 338 HA ARG 41 HA ARG 41 -8.638 4.710 3.228 339 1HB ARG 41 1HB ARG 41 -5.713 5.332 3.688 340 2HB ARG 41 2HB ARG 41 -6.786 6.513 2.936 341 1HG ARG 41 1HG ARG 41 -7.770 5.212 5.426 342 2HG ARG 41 2HG ARG 41 -6.448 6.367 5.605 343 1HD ARG 41 1HD ARG 41 -7.788 8.050 4.323 344 2HD ARG 41 2HD ARG 41 -9.137 6.897 4.291 345 HE ARG 41 HE ARG 41 -7.943 7.964 6.824 346 1HH1 ARG 41 1HH1 ARG 41 -9.662 5.446 6.874 347 2HH1 ARG 41 2HH1 ARG 41 -11.210 6.107 7.282 348 1HH2 ARG 41 1HH2 ARG 41 -10.316 9.369 6.517 349 2HH2 ARG 41 2HH2 ARG 41 -11.580 8.328 7.080 350 H VAL 42 H VAL 42 -5.596 3.480 1.749 351 HA VAL 42 HA VAL 42 -5.982 4.644 -0.854 352 HB VAL 42 HB VAL 42 -4.647 2.038 -0.017 353 1HG1 VAL 42 1HG1 VAL 42 -4.649 1.765 -2.303 354 2HG1 VAL 42 2HG1 VAL 42 -3.261 2.846 -2.182 355 3HG1 VAL 42 3HG1 VAL 42 -4.846 3.490 -2.613 356 1HG2 VAL 42 1HG2 VAL 42 -3.870 4.914 0.021 357 2HG2 VAL 42 2HG2 VAL 42 -2.633 3.763 -0.481 358 3HG2 VAL 42 3HG2 VAL 42 -3.391 3.605 1.103 359 H GLY 43 H GLY 43 -7.186 1.561 0.554 360 1HA GLY 43 1HA GLY 43 -8.377 0.584 -1.875 361 2HA GLY 43 2HA GLY 43 -8.814 0.071 -0.242 362 H GLN 44 H GLN 44 -9.720 2.448 0.906 363 HA GLN 44 HA GLN 44 -12.404 2.675 -0.084 364 1HB GLN 44 1HB GLN 44 -10.640 4.201 1.795 365 2HB GLN 44 2HB GLN 44 -12.134 4.979 1.273 366 1HG GLN 44 1HG GLN 44 -12.164 2.135 2.261 367 2HG GLN 44 2HG GLN 44 -12.197 3.479 3.404 368 1HE2 GLN 44 1HE2 GLN 44 -14.430 1.522 2.745 369 2HE2 GLN 44 2HE2 GLN 44 -15.720 2.496 2.228 370 H ILE 45 H ILE 45 -9.490 4.657 -0.764 371 HA ILE 45 HA ILE 45 -10.804 6.723 -2.294 372 HB ILE 45 HB ILE 45 -8.002 5.525 -2.445 373 1HG1 ILE 45 1HG1 ILE 45 -8.738 8.181 -1.241 374 2HG1 ILE 45 2HG1 ILE 45 -8.984 6.706 -0.308 375 1HG2 ILE 45 1HG2 ILE 45 -7.382 7.713 -3.502 376 2HG2 ILE 45 2HG2 ILE 45 -9.098 8.100 -3.619 377 3HG2 ILE 45 3HG2 ILE 45 -8.441 6.733 -4.516 378 1HD1 ILE 45 1HD1 ILE 45 -6.644 8.063 -0.316 379 2HD1 ILE 45 2HD1 ILE 45 -6.355 6.967 -1.666 380 3HD1 ILE 45 3HD1 ILE 45 -6.738 6.319 -0.072 381 H LEU 46 H LEU 46 -9.482 3.524 -3.278 382 HA LEU 46 HA LEU 46 -10.245 3.973 -6.088 383 1HB LEU 46 1HB LEU 46 -8.618 2.143 -4.638 384 2HB LEU 46 2HB LEU 46 -9.875 1.178 -5.411 385 HG LEU 46 HG LEU 46 -8.126 3.214 -6.808 386 1HD1 LEU 46 1HD1 LEU 46 -8.019 0.348 -7.540 387 2HD1 LEU 46 2HD1 LEU 46 -7.338 0.751 -5.963 388 3HD1 LEU 46 3HD1 LEU 46 -6.717 1.531 -7.417 389 1HD2 LEU 46 1HD2 LEU 46 -10.318 1.354 -7.753 390 2HD2 LEU 46 2HD2 LEU 46 -9.138 2.058 -8.859 391 3HD2 LEU 46 3HD2 LEU 46 -10.227 3.106 -7.946 392 H LYS 47 H LYS 47 -11.654 2.291 -3.266 393 HA LYS 47 HA LYS 47 -13.855 1.107 -4.773 394 1HB LYS 47 1HB LYS 47 -12.962 0.362 -2.506 395 2HB LYS 47 2HB LYS 47 -13.739 1.786 -1.814 396 1HG LYS 47 1HG LYS 47 -15.827 0.819 -3.198 397 2HG LYS 47 2HG LYS 47 -14.967 -0.695 -2.913 398 1HD LYS 47 1HD LYS 47 -16.153 -0.636 -0.949 399 2HD LYS 47 2HD LYS 47 -14.795 0.369 -0.442 400 1HE LYS 47 1HE LYS 47 -16.065 2.272 -0.390 401 2HE LYS 47 2HE LYS 47 -16.975 1.815 -1.844 402 1HZ LYS 47 1HZ LYS 47 -18.042 0.050 -0.483 403 2HZ LYS 47 2HZ LYS 47 -18.438 1.625 0.016 404 3HZ LYS 47 3HZ LYS 47 -17.306 0.712 0.894 405 H GLU 48 H GLU 48 -13.258 4.277 -3.255 406 HA GLU 48 HA GLU 48 -15.868 5.247 -2.909 407 1HB GLU 48 1HB GLU 48 -13.216 6.409 -3.623 408 2HB GLU 48 2HB GLU 48 -14.621 7.453 -3.849 409 1HG GLU 48 1HG GLU 48 -14.352 5.925 -1.283 410 2HG GLU 48 2HG GLU 48 -13.387 7.384 -1.513 411 HA PRO 49 HA PRO 49 -17.442 5.115 -7.077 412 1HB PRO 49 1HB PRO 49 -19.657 6.692 -6.754 413 2HB PRO 49 2HB PRO 49 -19.571 5.013 -6.183 414 1HG PRO 49 1HG PRO 49 -19.246 7.547 -4.660 415 2HG PRO 49 2HG PRO 49 -20.058 6.046 -4.193 416 1HD PRO 49 1HD PRO 49 -17.574 6.737 -3.320 417 2HD PRO 49 2HD PRO 49 -18.113 5.053 -3.506 418 H LYS 50 H LYS 50 -16.935 8.239 -5.399 419 HA LYS 50 HA LYS 50 -17.050 9.787 -7.906 420 1HB LYS 50 1HB LYS 50 -17.338 10.378 -5.240 421 2HB LYS 50 2HB LYS 50 -15.687 10.927 -5.530 422 1HG LYS 50 1HG LYS 50 -17.752 11.673 -7.552 423 2HG LYS 50 2HG LYS 50 -17.800 12.506 -5.998 424 1HD LYS 50 1HD LYS 50 -15.165 12.218 -7.397 425 2HD LYS 50 2HD LYS 50 -16.300 13.442 -7.967 426 1HE LYS 50 1HE LYS 50 -16.420 13.875 -5.271 427 2HE LYS 50 2HE LYS 50 -14.729 13.369 -5.459 428 1HZ LYS 50 1HZ LYS 50 -14.459 14.943 -7.244 429 2HZ LYS 50 2HZ LYS 50 -15.033 15.762 -5.872 430 3HZ LYS 50 3HZ LYS 50 -16.090 15.398 -7.151 431 H MET 51 H MET 51 -14.529 8.311 -5.843 432 HA MET 51 HA MET 51 -12.376 9.461 -7.524 433 1HB MET 51 1HB MET 51 -12.184 9.313 -5.059 434 2HB MET 51 2HB MET 51 -12.307 7.560 -5.171 435 1HG MET 51 1HG MET 51 -10.058 7.556 -5.367 436 2HG MET 51 2HG MET 51 -10.309 8.149 -7.000 437 1HE MET 51 1HE MET 51 -7.675 10.527 -6.718 438 2HE MET 51 2HE MET 51 -8.257 8.935 -7.197 439 3HE MET 51 3HE MET 51 -7.395 9.126 -5.673 440 H ALA 52 H ALA 52 -14.117 6.369 -7.161 441 HA ALA 52 HA ALA 52 -12.240 4.594 -8.362 442 1HB ALA 52 1HB ALA 52 -14.146 3.528 -7.553 443 2HB ALA 52 2HB ALA 52 -14.539 3.570 -9.271 444 3HB ALA 52 3HB ALA 52 -15.232 4.770 -8.179 445 H ALA 53 H ALA 53 -14.528 6.877 -9.919 446 HA ALA 53 HA ALA 53 -14.183 6.038 -12.630 447 1HB ALA 53 1HB ALA 53 -15.804 7.761 -11.670 448 2HB ALA 53 2HB ALA 53 -15.047 8.216 -13.196 449 3HB ALA 53 3HB ALA 53 -14.463 8.907 -11.682 450 H SER 54 H SER 54 -12.080 8.103 -10.587 451 HA SER 54 HA SER 54 -10.337 8.830 -12.850 452 1HB SER 54 1HB SER 54 -10.853 9.936 -10.426 453 2HB SER 54 2HB SER 54 -9.385 9.046 -10.032 454 HG SER 54 HG SER 54 -9.797 11.082 -11.947 455 H LEU 55 H LEU 55 -9.916 6.742 -9.925 456 HA LEU 55 HA LEU 55 -7.334 5.727 -10.663 457 1HB LEU 55 1HB LEU 55 -9.603 4.714 -8.949 458 2HB LEU 55 2HB LEU 55 -8.140 3.753 -9.161 459 HG LEU 55 HG LEU 55 -7.618 6.589 -8.545 460 1HD1 LEU 55 1HD1 LEU 55 -9.744 5.597 -7.159 461 2HD1 LEU 55 2HD1 LEU 55 -8.612 6.779 -6.503 462 3HD1 LEU 55 3HD1 LEU 55 -8.412 5.067 -6.131 463 1HD2 LEU 55 1HD2 LEU 55 -6.311 5.126 -6.682 464 2HD2 LEU 55 2HD2 LEU 55 -5.703 5.342 -8.323 465 3HD2 LEU 55 3HD2 LEU 55 -6.584 3.875 -7.895 466 H LEU 56 H LEU 56 -10.586 4.750 -11.771 467 HA LEU 56 HA LEU 56 -9.394 2.407 -13.196 468 1HB LEU 56 1HB LEU 56 -11.384 2.058 -11.809 469 2HB LEU 56 2HB LEU 56 -12.249 3.314 -12.689 470 HG LEU 56 HG LEU 56 -11.111 1.214 -14.420 471 1HD1 LEU 56 1HD1 LEU 56 -13.058 -0.342 -13.800 472 2HD1 LEU 56 2HD1 LEU 56 -13.163 0.571 -12.295 473 3HD1 LEU 56 3HD1 LEU 56 -11.688 -0.313 -12.690 474 1HD2 LEU 56 1HD2 LEU 56 -13.076 1.586 -15.641 475 2HD2 LEU 56 2HD2 LEU 56 -12.836 3.153 -14.868 476 3HD2 LEU 56 3HD2 LEU 56 -14.006 2.010 -14.204 477 H ASN 57 H ASN 57 -9.524 5.598 -14.011 478 HA ASN 57 HA ASN 57 -10.738 5.180 -16.703 479 1HB ASN 57 1HB ASN 57 -10.280 7.422 -14.862 480 2HB ASN 57 2HB ASN 57 -9.854 7.807 -16.528 481 1HD2 ASN 57 1HD2 ASN 57 -11.727 9.133 -17.027 482 2HD2 ASN 57 2HD2 ASN 57 -13.301 8.498 -17.042 483 HA PRO 58 HA PRO 58 -6.713 4.953 -18.512 484 1HB PRO 58 1HB PRO 58 -7.355 5.457 -21.114 485 2HB PRO 58 2HB PRO 58 -7.730 3.923 -20.308 486 1HG PRO 58 1HG PRO 58 -9.512 6.161 -21.021 487 2HG PRO 58 2HG PRO 58 -9.868 4.437 -20.855 488 1HD PRO 58 1HD PRO 58 -10.446 6.451 -18.986 489 2HD PRO 58 2HD PRO 58 -10.522 4.699 -18.712 490 H TYR 59 H TYR 59 -8.358 7.907 -18.115 491 HA TYR 59 HA TYR 59 -6.496 9.520 -19.758 492 1HB TYR 59 1HB TYR 59 -8.753 10.315 -17.876 493 2HB TYR 59 2HB TYR 59 -7.947 11.378 -19.028 494 HD1 TYR 59 HD1 TYR 59 -10.336 8.587 -18.628 495 HD2 TYR 59 HD2 TYR 59 -8.319 11.148 -21.438 496 HE1 TYR 59 HE1 TYR 59 -11.900 7.871 -20.412 497 HE2 TYR 59 HE2 TYR 59 -9.887 10.427 -23.217 498 HH TYR 59 HH TYR 59 -11.457 7.978 -23.401 499 H VAL 60 H VAL 60 -7.240 8.851 -16.301 500 HA VAL 60 HA VAL 60 -5.488 10.787 -15.135 501 HB VAL 60 HB VAL 60 -5.486 9.258 -13.170 502 1HG1 VAL 60 1HG1 VAL 60 -7.516 10.683 -13.996 503 2HG1 VAL 60 2HG1 VAL 60 -7.773 9.489 -12.724 504 3HG1 VAL 60 3HG1 VAL 60 -8.233 9.120 -14.386 505 1HG2 VAL 60 1HG2 VAL 60 -6.221 7.046 -13.268 506 2HG2 VAL 60 2HG2 VAL 60 -5.389 7.195 -14.815 507 3HG2 VAL 60 3HG2 VAL 60 -7.146 7.314 -14.744 508 H LYS 61 H LYS 61 -4.657 7.743 -16.780 509 HA LYS 61 HA LYS 61 -2.561 6.826 -17.305 510 1HB LYS 61 1HB LYS 61 -2.385 9.510 -17.634 511 2HB LYS 61 2HB LYS 61 -1.146 9.279 -16.399 512 1HG LYS 61 1HG LYS 61 0.216 8.072 -17.795 513 2HG LYS 61 2HG LYS 61 -1.138 7.348 -18.661 514 1HD LYS 61 1HD LYS 61 -0.457 8.794 -20.306 515 2HD LYS 61 2HD LYS 61 -1.477 9.917 -19.405 516 1HE LYS 61 1HE LYS 61 0.434 11.199 -19.386 517 2HE LYS 61 2HE LYS 61 0.881 10.146 -18.028 518 1HZ LYS 61 1HZ LYS 61 1.477 9.630 -20.895 519 2HZ LYS 61 2HZ LYS 61 1.870 8.598 -19.604 520 3HZ LYS 61 3HZ LYS 61 2.603 10.125 -19.729 521 H ARG 62 H ARG 62 -0.155 6.652 -16.190 522 HA ARG 62 HA ARG 62 -0.718 5.970 -13.327 523 1HB ARG 62 1HB ARG 62 1.031 4.947 -15.521 524 2HB ARG 62 2HB ARG 62 1.648 4.796 -13.875 525 1HG ARG 62 1HG ARG 62 -0.867 3.932 -13.461 526 2HG ARG 62 2HG ARG 62 -0.685 3.463 -15.152 527 1HD ARG 62 1HD ARG 62 1.573 2.818 -13.293 528 2HD ARG 62 2HD ARG 62 0.105 1.823 -13.200 529 HE ARG 62 HE ARG 62 0.494 1.088 -15.441 530 1HH1 ARG 62 1HH1 ARG 62 3.294 2.205 -14.127 531 2HH1 ARG 62 2HH1 ARG 62 4.063 2.648 -15.613 532 1HH2 ARG 62 1HH2 ARG 62 1.192 2.260 -17.520 533 2HH2 ARG 62 2HH2 ARG 62 2.872 2.679 -17.535 534 H SER 63 H SER 63 1.978 7.346 -15.323 535 HA SER 63 HA SER 63 3.543 8.324 -13.140 536 1HB SER 63 1HB SER 63 3.168 9.208 -16.008 537 2HB SER 63 2HB SER 63 4.285 10.053 -14.940 538 HG SER 63 HG SER 63 5.460 8.461 -15.894 539 H VAL 64 H VAL 64 0.845 9.901 -14.914 540 HA VAL 64 HA VAL 64 0.997 12.411 -13.454 541 HB VAL 64 HB VAL 64 -1.344 11.050 -14.852 542 1HG1 VAL 64 1HG1 VAL 64 -0.883 13.857 -13.833 543 2HG1 VAL 64 2HG1 VAL 64 -2.269 12.802 -13.551 544 3HG1 VAL 64 3HG1 VAL 64 -2.022 13.531 -15.138 545 1HG2 VAL 64 1HG2 VAL 64 -0.620 12.783 -16.658 546 2HG2 VAL 64 2HG2 VAL 64 0.329 11.306 -16.492 547 3HG2 VAL 64 3HG2 VAL 64 0.916 12.813 -15.790 548 H LYS 65 H LYS 65 -0.882 9.384 -12.962 549 HA LYS 65 HA LYS 65 -2.436 10.273 -10.717 550 1HB LYS 65 1HB LYS 65 -1.484 7.647 -11.804 551 2HB LYS 65 2HB LYS 65 -2.166 7.662 -10.178 552 1HG LYS 65 1HG LYS 65 -3.661 9.134 -12.298 553 2HG LYS 65 2HG LYS 65 -3.707 7.372 -12.352 554 1HD LYS 65 1HD LYS 65 -5.492 7.765 -10.933 555 2HD LYS 65 2HD LYS 65 -4.188 7.658 -9.750 556 1HE LYS 65 1HE LYS 65 -4.041 10.031 -9.536 557 2HE LYS 65 2HE LYS 65 -5.018 10.294 -10.995 558 1HZ LYS 65 1HZ LYS 65 -6.273 10.478 -8.848 559 2HZ LYS 65 2HZ LYS 65 -6.006 8.816 -8.618 560 3HZ LYS 65 3HZ LYS 65 -6.910 9.358 -9.951 561 H VAL 66 H VAL 66 0.910 8.971 -10.885 562 HA VAL 66 HA VAL 66 1.337 8.603 -8.074 563 HB VAL 66 HB VAL 66 3.282 9.516 -10.234 564 1HG1 VAL 66 1HG1 VAL 66 4.901 8.243 -8.644 565 2HG1 VAL 66 2HG1 VAL 66 3.651 8.481 -7.424 566 3HG1 VAL 66 3HG1 VAL 66 4.409 9.875 -8.193 567 1HG2 VAL 66 1HG2 VAL 66 2.707 7.462 -11.063 568 2HG2 VAL 66 2HG2 VAL 66 2.037 6.919 -9.525 569 3HG2 VAL 66 3HG2 VAL 66 3.778 6.868 -9.795 570 H LYS 67 H LYS 67 1.660 11.557 -10.103 571 HA LYS 67 HA LYS 67 2.705 13.240 -7.985 572 1HB LYS 67 1HB LYS 67 1.192 13.776 -10.558 573 2HB LYS 67 2HB LYS 67 1.752 15.083 -9.514 574 1HG LYS 67 1HG LYS 67 3.631 12.918 -10.456 575 2HG LYS 67 2HG LYS 67 3.315 14.348 -11.439 576 1HD LYS 67 1HD LYS 67 4.360 15.776 -9.954 577 2HD LYS 67 2HD LYS 67 3.995 14.760 -8.559 578 1HE LYS 67 1HE LYS 67 6.386 14.602 -8.992 579 2HE LYS 67 2HE LYS 67 5.651 13.064 -9.489 580 1HZ LYS 67 1HZ LYS 67 6.054 15.372 -11.314 581 2HZ LYS 67 2HZ LYS 67 5.541 13.808 -11.736 582 3HZ LYS 67 3HZ LYS 67 7.132 14.069 -11.201 583 H SER 68 H SER 68 -0.642 12.554 -9.109 584 HA SER 68 HA SER 68 -1.943 14.405 -7.302 585 1HB SER 68 1HB SER 68 -3.312 13.611 -9.037 586 2HB SER 68 2HB SER 68 -2.742 11.954 -8.860 587 HG SER 68 HG SER 68 -4.889 12.346 -8.033 588 H LEU 69 H LEU 69 -1.040 10.937 -6.977 589 HA LEU 69 HA LEU 69 -2.266 10.528 -4.396 590 1HB LEU 69 1HB LEU 69 -0.107 9.227 -6.022 591 2HB LEU 69 2HB LEU 69 -0.241 8.777 -4.322 592 HG LEU 69 HG LEU 69 -2.566 8.739 -6.265 593 1HD1 LEU 69 1HD1 LEU 69 -0.541 7.075 -6.579 594 2HD1 LEU 69 2HD1 LEU 69 -2.197 6.470 -6.643 595 3HD1 LEU 69 3HD1 LEU 69 -1.243 6.276 -5.173 596 1HD2 LEU 69 1HD2 LEU 69 -2.145 7.929 -3.391 597 2HD2 LEU 69 2HD2 LEU 69 -3.405 7.169 -4.362 598 3HD2 LEU 69 3HD2 LEU 69 -3.437 8.910 -4.081 599 H SER 70 H SER 70 1.031 11.641 -5.322 600 HA SER 70 HA SER 70 2.075 11.802 -2.636 601 1HB SER 70 1HB SER 70 2.703 13.232 -5.232 602 2HB SER 70 2HB SER 70 3.608 13.565 -3.758 603 HG SER 70 HG SER 70 4.388 11.834 -5.252 604 H ASP 71 H ASP 71 0.360 14.232 -4.666 605 HA ASP 71 HA ASP 71 0.471 16.327 -2.647 606 1HB ASP 71 1HB ASP 71 -1.152 15.821 -5.143 607 2HB ASP 71 2HB ASP 71 -1.495 17.215 -4.118 608 H MET 72 H MET 72 -1.532 13.462 -2.912 609 HA MET 72 HA MET 72 -3.687 14.614 -1.218 610 1HB MET 72 1HB MET 72 -4.080 12.939 -3.093 611 2HB MET 72 2HB MET 72 -3.214 11.746 -2.124 612 1HG MET 72 1HG MET 72 -4.883 12.346 -0.243 613 2HG MET 72 2HG MET 72 -5.841 13.100 -1.517 614 1HE MET 72 1HE MET 72 -4.794 8.676 -0.964 615 2HE MET 72 2HE MET 72 -4.506 10.013 0.148 616 3HE MET 72 3HE MET 72 -3.549 9.879 -1.325 617 H THR 73 H THR 73 -1.061 12.174 -1.059 618 HA THR 73 HA THR 73 -1.382 11.358 1.657 619 HB THR 73 HB THR 73 0.839 11.494 -0.367 620 HG1 THR 73 HG1 THR 73 0.674 9.329 -0.190 621 1HG2 THR 73 1HG2 THR 73 2.246 12.001 1.411 622 2HG2 THR 73 2HG2 THR 73 2.262 10.237 1.420 623 3HG2 THR 73 3HG2 THR 73 1.265 11.117 2.579 624 H ALA 74 H ALA 74 0.245 14.265 0.278 625 HA ALA 74 HA ALA 74 1.468 15.218 2.695 626 1HB ALA 74 1HB ALA 74 1.459 17.400 1.552 627 2HB ALA 74 2HB ALA 74 0.228 16.826 0.430 628 3HB ALA 74 3HB ALA 74 1.845 16.125 0.394 629 H LYS 75 H LYS 75 -1.880 15.624 1.456 630 HA LYS 75 HA LYS 75 -2.611 17.255 3.836 631 1HB LYS 75 1HB LYS 75 -3.952 16.396 1.273 632 2HB LYS 75 2HB LYS 75 -4.905 17.085 2.588 633 1HG LYS 75 1HG LYS 75 -3.945 19.171 2.378 634 2HG LYS 75 2HG LYS 75 -2.412 18.523 1.793 635 1HD LYS 75 1HD LYS 75 -3.210 19.362 -0.196 636 2HD LYS 75 2HD LYS 75 -3.968 17.770 -0.257 637 1HE LYS 75 1HE LYS 75 -5.846 19.088 -0.620 638 2HE LYS 75 2HE LYS 75 -5.861 19.074 1.154 639 1HZ LYS 75 1HZ LYS 75 -5.924 21.344 0.138 640 2HZ LYS 75 2HZ LYS 75 -4.355 21.063 -0.452 641 3HZ LYS 75 3HZ LYS 75 -4.644 21.093 1.222 642 H GLU 76 H GLU 76 -3.096 13.943 2.567 643 HA GLU 76 HA GLU 76 -5.173 13.146 4.395 644 1HB GLU 76 1HB GLU 76 -4.122 12.003 2.265 645 2HB GLU 76 2HB GLU 76 -3.044 11.251 3.441 646 1HG GLU 76 1HG GLU 76 -4.785 9.706 3.388 647 2HG GLU 76 2HG GLU 76 -5.294 10.740 4.724 648 H LYS 77 H LYS 77 -1.744 13.709 5.010 649 HA LYS 77 HA LYS 77 -0.491 13.454 6.978 650 1HB LYS 77 1HB LYS 77 -2.982 14.277 7.707 651 2HB LYS 77 2HB LYS 77 -2.902 12.739 8.566 652 1HG LYS 77 1HG LYS 77 -1.872 14.024 10.159 653 2HG LYS 77 2HG LYS 77 -0.451 13.708 9.162 654 1HD LYS 77 1HD LYS 77 -1.323 15.838 7.839 655 2HD LYS 77 2HD LYS 77 -2.095 16.199 9.384 656 1HE LYS 77 1HE LYS 77 -0.042 17.195 9.782 657 2HE LYS 77 2HE LYS 77 0.377 15.541 10.275 658 1HZ LYS 77 1HZ LYS 77 0.738 16.741 7.580 659 2HZ LYS 77 2HZ LYS 77 0.969 15.095 7.930 660 3HZ LYS 77 3HZ LYS 77 1.964 16.268 8.651 661 H PHE 78 H PHE 78 -0.612 11.198 5.306 662 HA PHE 78 HA PHE 78 -1.513 8.762 6.489 663 1HB PHE 78 1HB PHE 78 0.439 9.582 4.418 664 2HB PHE 78 2HB PHE 78 0.767 8.014 5.151 665 HD1 PHE 78 HD1 PHE 78 -0.797 9.404 2.434 666 HD2 PHE 78 HD2 PHE 78 -1.656 6.743 5.699 667 HE1 PHE 78 HE1 PHE 78 -2.643 8.388 1.123 668 HE2 PHE 78 HE2 PHE 78 -3.503 5.733 4.387 669 HZ PHE 78 HZ PHE 78 -3.997 6.550 2.101 670 H SER 79 H SER 79 0.504 7.011 7.030 671 HA SER 79 HA SER 79 1.699 8.185 9.484 672 1HB SER 79 1HB SER 79 1.282 6.127 10.428 673 2HB SER 79 2HB SER 79 0.136 5.994 9.102 674 HG SER 79 HG SER 79 1.346 4.225 8.845 675 HA PRO 80 HA PRO 80 5.764 7.476 8.022 676 1HB PRO 80 1HB PRO 80 7.043 5.771 9.713 677 2HB PRO 80 2HB PRO 80 6.641 7.446 10.129 678 1HG PRO 80 1HG PRO 80 5.307 4.928 10.937 679 2HG PRO 80 2HG PRO 80 5.544 6.428 11.847 680 1HD PRO 80 1HD PRO 80 3.202 5.687 10.628 681 2HD PRO 80 2HD PRO 80 3.635 7.360 11.037 682 H LEU 81 H LEU 81 3.712 4.670 8.077 683 HA LEU 81 HA LEU 81 5.659 3.254 6.307 684 1HB LEU 81 1HB LEU 81 3.809 2.443 8.497 685 2HB LEU 81 2HB LEU 81 3.892 1.357 7.100 686 HG LEU 81 HG LEU 81 6.524 2.340 8.035 687 1HD1 LEU 81 1HD1 LEU 81 6.615 0.837 9.969 688 2HD1 LEU 81 2HD1 LEU 81 4.921 0.411 9.736 689 3HD1 LEU 81 3HD1 LEU 81 5.360 2.054 10.198 690 1HD2 LEU 81 1HD2 LEU 81 6.625 0.664 6.404 691 2HD2 LEU 81 2HD2 LEU 81 5.270 -0.228 7.094 692 3HD2 LEU 81 3HD2 LEU 81 6.843 -0.261 7.889 693 H THR 82 H THR 82 3.496 5.383 5.622 694 HA THR 82 HA THR 82 2.072 3.650 3.667 695 HB THR 82 HB THR 82 0.684 6.024 4.895 696 HG1 THR 82 HG1 THR 82 0.936 3.442 6.114 697 1HG2 THR 82 1HG2 THR 82 0.096 3.736 3.197 698 2HG2 THR 82 2HG2 THR 82 -0.934 5.102 3.602 699 3HG2 THR 82 3HG2 THR 82 -0.907 3.682 4.643 700 H SER 83 H SER 83 4.466 5.691 3.525 701 HA SER 83 HA SER 83 3.314 7.179 1.203 702 1HB SER 83 1HB SER 83 4.015 8.406 3.507 703 2HB SER 83 2HB SER 83 5.616 8.303 2.781 704 HG SER 83 HG SER 83 4.905 9.487 1.062 705 H ASN 84 H ASN 84 4.290 4.728 0.930 706 HA ASN 84 HA ASN 84 6.663 5.050 -0.788 707 1HB ASN 84 1HB ASN 84 6.701 3.871 1.950 708 2HB ASN 84 2HB ASN 84 7.516 2.922 0.707 709 1HD2 ASN 84 1HD2 ASN 84 8.009 5.488 2.900 710 2HD2 ASN 84 2HD2 ASN 84 9.375 6.170 2.161 711 H LEU 85 H LEU 85 4.789 2.562 1.033 712 HA LEU 85 HA LEU 85 4.606 0.634 -1.079 713 1HB LEU 85 1HB LEU 85 4.038 0.097 1.242 714 2HB LEU 85 2HB LEU 85 2.766 1.314 1.258 715 HG LEU 85 HG LEU 85 1.517 0.042 -0.451 716 1HD1 LEU 85 1HD1 LEU 85 2.413 -2.391 -0.788 717 2HD1 LEU 85 2HD1 LEU 85 3.968 -1.706 -0.314 718 3HD1 LEU 85 3HD1 LEU 85 3.129 -1.089 -1.737 719 1HD2 LEU 85 1HD2 LEU 85 1.540 -0.474 2.148 720 2HD2 LEU 85 2HD2 LEU 85 2.253 -1.999 1.623 721 3HD2 LEU 85 3HD2 LEU 85 0.657 -1.526 1.041 722 H ILE 86 H ILE 86 2.820 3.714 -0.499 723 HA ILE 86 HA ILE 86 0.619 3.142 -2.274 724 HB ILE 86 HB ILE 86 1.967 5.736 -1.440 725 1HG1 ILE 86 1HG1 ILE 86 -0.560 4.283 -0.579 726 2HG1 ILE 86 2HG1 ILE 86 0.900 4.507 0.380 727 1HG2 ILE 86 1HG2 ILE 86 -0.004 6.905 -2.329 728 2HG2 ILE 86 2HG2 ILE 86 -0.693 5.376 -2.875 729 3HG2 ILE 86 3HG2 ILE 86 0.775 6.001 -3.627 730 1HD1 ILE 86 1HD1 ILE 86 -1.075 6.623 -0.503 731 2HD1 ILE 86 2HD1 ILE 86 0.513 7.019 0.156 732 3HD1 ILE 86 3HD1 ILE 86 -0.663 6.153 1.147 733 H ASN 87 H ASN 87 3.925 4.409 -2.869 734 HA ASN 87 HA ASN 87 3.659 5.193 -5.589 735 1HB ASN 87 1HB ASN 87 5.700 5.140 -3.877 736 2HB ASN 87 2HB ASN 87 6.065 3.623 -4.702 737 1HD2 ASN 87 1HD2 ASN 87 7.529 6.314 -4.846 738 2HD2 ASN 87 2HD2 ASN 87 7.555 6.687 -6.502 739 H LEU 88 H LEU 88 4.568 1.914 -4.353 740 HA LEU 88 HA LEU 88 4.681 0.526 -6.823 741 1HB LEU 88 1HB LEU 88 3.634 -0.362 -4.110 742 2HB LEU 88 2HB LEU 88 3.991 -1.472 -5.433 743 HG LEU 88 HG LEU 88 6.133 0.463 -4.709 744 1HD1 LEU 88 1HD1 LEU 88 5.873 -0.076 -2.492 745 2HD1 LEU 88 2HD1 LEU 88 6.761 -1.517 -2.988 746 3HD1 LEU 88 3HD1 LEU 88 5.003 -1.569 -2.850 747 1HD2 LEU 88 1HD2 LEU 88 6.251 -1.322 -6.508 748 2HD2 LEU 88 2HD2 LEU 88 6.195 -2.524 -5.218 749 3HD2 LEU 88 3HD2 LEU 88 7.546 -1.395 -5.313 750 H LEU 89 H LEU 89 1.794 1.322 -4.838 751 HA LEU 89 HA LEU 89 -0.130 -0.129 -6.409 752 1HB LEU 89 1HB LEU 89 -0.159 2.167 -4.488 753 2HB LEU 89 2HB LEU 89 -1.598 1.927 -5.477 754 HG LEU 89 HG LEU 89 -0.300 -0.307 -3.905 755 1HD1 LEU 89 1HD1 LEU 89 -1.591 0.173 -2.056 756 2HD1 LEU 89 2HD1 LEU 89 -2.844 0.973 -3.005 757 3HD1 LEU 89 3HD1 LEU 89 -1.337 1.815 -2.646 758 1HD2 LEU 89 1HD2 LEU 89 -1.698 -1.099 -5.687 759 2HD2 LEU 89 2HD2 LEU 89 -2.946 0.088 -5.319 760 3HD2 LEU 89 3HD2 LEU 89 -2.645 -1.249 -4.207 761 H ALA 90 H ALA 90 1.147 3.217 -6.735 762 HA ALA 90 HA ALA 90 -0.310 3.423 -9.348 763 1HB ALA 90 1HB ALA 90 -0.593 5.626 -8.822 764 2HB ALA 90 2HB ALA 90 1.054 5.786 -8.211 765 3HB ALA 90 3HB ALA 90 -0.207 5.104 -7.183 766 H GLU 91 H GLU 91 2.354 1.946 -8.883 767 HA GLU 91 HA GLU 91 4.007 3.615 -10.762 768 1HB GLU 91 1HB GLU 91 4.929 3.515 -8.479 769 2HB GLU 91 2HB GLU 91 4.867 1.753 -8.519 770 1HG GLU 91 1HG GLU 91 6.389 1.846 -10.542 771 2HG GLU 91 2HG GLU 91 6.580 3.571 -10.231 772 H ASN 92 H ASN 92 3.732 0.196 -9.583 773 HA ASN 92 HA ASN 92 4.619 -0.799 -12.225 774 1HB ASN 92 1HB ASN 92 4.897 -1.720 -9.693 775 2HB ASN 92 2HB ASN 92 3.463 -2.627 -10.172 776 1HD2 ASN 92 1HD2 ASN 92 3.961 -4.619 -11.161 777 2HD2 ASN 92 2HD2 ASN 92 5.379 -4.924 -12.043 778 H GLY 93 H GLY 93 1.563 -0.708 -10.330 779 1HA GLY 93 1HA GLY 93 -0.411 -0.317 -11.959 780 2HA GLY 93 2HA GLY 93 0.153 -1.804 -12.723 781 H ARG 94 H ARG 94 -0.560 -0.708 -9.340 782 HA ARG 94 HA ARG 94 -2.064 -3.285 -9.005 783 1HB ARG 94 1HB ARG 94 -0.001 -1.871 -7.359 784 2HB ARG 94 2HB ARG 94 -1.229 -2.827 -6.529 785 1HG ARG 94 1HG ARG 94 0.279 -3.977 -8.867 786 2HG ARG 94 2HG ARG 94 0.973 -4.013 -7.245 787 1HD ARG 94 1HD ARG 94 -0.862 -5.312 -6.390 788 2HD ARG 94 2HD ARG 94 -1.802 -5.069 -7.876 789 HE ARG 94 HE ARG 94 0.649 -6.753 -7.656 790 1HH1 ARG 94 1HH1 ARG 94 -2.328 -7.379 -8.514 791 2HH1 ARG 94 2HH1 ARG 94 -2.069 -7.692 -10.198 792 1HH2 ARG 94 1HH2 ARG 94 1.126 -6.345 -10.229 793 2HH2 ARG 94 2HH2 ARG 94 -0.114 -7.106 -11.169 794 H LEU 95 H LEU 95 -2.941 -0.267 -9.563 795 HA LEU 95 HA LEU 95 -4.594 0.140 -7.104 796 1HB LEU 95 1HB LEU 95 -3.795 1.796 -9.505 797 2HB LEU 95 2HB LEU 95 -5.218 2.258 -8.571 798 HG LEU 95 HG LEU 95 -2.555 1.707 -7.251 799 1HD1 LEU 95 1HD1 LEU 95 -3.634 4.376 -8.210 800 2HD1 LEU 95 2HD1 LEU 95 -2.257 3.521 -8.907 801 3HD1 LEU 95 3HD1 LEU 95 -2.168 4.138 -7.257 802 1HD2 LEU 95 1HD2 LEU 95 -5.192 2.916 -6.468 803 2HD2 LEU 95 2HD2 LEU 95 -3.723 3.441 -5.642 804 3HD2 LEU 95 3HD2 LEU 95 -4.203 1.743 -5.598 805 H THR 96 H THR 96 -5.790 -1.802 -7.563 806 HA THR 96 HA THR 96 -8.252 -1.322 -9.113 807 HB THR 96 HB THR 96 -6.782 -3.809 -9.896 808 HG1 THR 96 HG1 THR 96 -5.128 -2.486 -10.303 809 1HG2 THR 96 1HG2 THR 96 -9.134 -2.880 -10.632 810 2HG2 THR 96 2HG2 THR 96 -8.082 -3.659 -11.814 811 3HG2 THR 96 3HG2 THR 96 -8.172 -1.898 -11.738 812 H ASN 97 H ASN 97 -6.218 -3.985 -7.769 813 HA ASN 97 HA ASN 97 -8.576 -4.952 -6.205 814 1HB ASN 97 1HB ASN 97 -5.872 -6.132 -6.941 815 2HB ASN 97 2HB ASN 97 -7.023 -6.938 -5.871 816 1HD2 ASN 97 1HD2 ASN 97 -6.519 -5.869 -9.254 817 2HD2 ASN 97 2HD2 ASN 97 -7.772 -6.815 -9.900 818 H THR 98 H THR 98 -6.816 -2.454 -5.586 819 HA THR 98 HA THR 98 -4.918 -2.644 -3.633 820 HB THR 98 HB THR 98 -6.301 -0.633 -2.595 821 HG1 THR 98 HG1 THR 98 -7.878 0.083 -3.933 822 1HG2 THR 98 1HG2 THR 98 -4.877 -0.910 -5.200 823 2HG2 THR 98 2HG2 THR 98 -4.421 0.009 -3.766 824 3HG2 THR 98 3HG2 THR 98 -5.674 0.623 -4.845 825 HA PRO 99 HA PRO 99 -8.092 -3.291 -0.046 826 1HB PRO 99 1HB PRO 99 -10.436 -4.565 -0.740 827 2HB PRO 99 2HB PRO 99 -10.275 -2.802 -0.594 828 1HG PRO 99 1HG PRO 99 -10.133 -4.511 -3.043 829 2HG PRO 99 2HG PRO 99 -11.006 -2.988 -2.786 830 1HD PRO 99 1HD PRO 99 -8.693 -3.003 -4.076 831 2HD PRO 99 2HD PRO 99 -9.064 -1.700 -2.933 832 H ALA 100 H ALA 100 -7.992 -5.606 -2.790 833 HA ALA 100 HA ALA 100 -8.047 -8.022 -1.204 834 1HB ALA 100 1HB ALA 100 -8.157 -7.608 -3.806 835 2HB ALA 100 2HB ALA 100 -7.406 -9.087 -3.209 836 3HB ALA 100 3HB ALA 100 -6.400 -7.731 -3.716 837 H VAL 101 H VAL 101 -5.358 -5.867 -2.233 838 HA VAL 101 HA VAL 101 -3.241 -7.494 -1.077 839 HB VAL 101 HB VAL 101 -3.392 -4.507 -1.652 840 1HG1 VAL 101 1HG1 VAL 101 -1.265 -6.249 -0.598 841 2HG1 VAL 101 2HG1 VAL 101 -1.399 -4.492 -0.564 842 3HG1 VAL 101 3HG1 VAL 101 -0.771 -5.299 -2.000 843 1HG2 VAL 101 1HG2 VAL 101 -2.892 -4.971 -3.840 844 2HG2 VAL 101 2HG2 VAL 101 -3.683 -6.502 -3.465 845 3HG2 VAL 101 3HG2 VAL 101 -1.923 -6.386 -3.425 846 H ILE 102 H ILE 102 -5.288 -4.836 0.206 847 HA ILE 102 HA ILE 102 -3.840 -4.555 2.709 848 HB ILE 102 HB ILE 102 -6.740 -3.944 2.009 849 1HG1 ILE 102 1HG1 ILE 102 -4.631 -1.843 2.185 850 2HG1 ILE 102 2HG1 ILE 102 -4.595 -2.887 0.767 851 1HG2 ILE 102 1HG2 ILE 102 -5.228 -2.384 4.046 852 2HG2 ILE 102 2HG2 ILE 102 -5.740 -4.003 4.518 853 3HG2 ILE 102 3HG2 ILE 102 -6.937 -2.816 4.001 854 1HD1 ILE 102 1HD1 ILE 102 -7.270 -1.858 1.524 855 2HD1 ILE 102 2HD1 ILE 102 -6.541 -2.033 -0.072 856 3HD1 ILE 102 3HD1 ILE 102 -6.126 -0.649 0.938 857 H SER 103 H SER 103 -6.606 -6.623 1.693 858 HA SER 103 HA SER 103 -7.335 -7.615 4.282 859 1HB SER 103 1HB SER 103 -7.493 -8.643 1.460 860 2HB SER 103 2HB SER 103 -7.902 -9.735 2.779 861 HG SER 103 HG SER 103 -9.698 -8.504 1.967 862 H ALA 104 H ALA 104 -4.878 -8.846 1.954 863 HA ALA 104 HA ALA 104 -4.011 -11.099 3.515 864 1HB ALA 104 1HB ALA 104 -2.378 -9.291 1.690 865 2HB ALA 104 2HB ALA 104 -3.377 -10.639 1.143 866 3HB ALA 104 3HB ALA 104 -1.961 -10.942 2.149 867 H PHE 105 H PHE 105 -3.107 -7.633 3.685 868 HA PHE 105 HA PHE 105 -0.862 -7.812 5.434 869 1HB PHE 105 1HB PHE 105 -1.829 -5.766 4.261 870 2HB PHE 105 2HB PHE 105 -3.056 -5.711 5.524 871 HD1 PHE 105 HD1 PHE 105 0.175 -4.620 4.579 872 HD2 PHE 105 HD2 PHE 105 -2.129 -5.769 8.009 873 HE1 PHE 105 HE1 PHE 105 1.743 -3.397 6.043 874 HE2 PHE 105 HE2 PHE 105 -0.558 -4.548 9.471 875 HZ PHE 105 HZ PHE 105 1.384 -3.376 8.491 876 H SER 106 H SER 106 -4.374 -7.711 6.222 877 HA SER 106 HA SER 106 -4.003 -7.691 9.097 878 1HB SER 106 1HB SER 106 -6.138 -7.067 8.176 879 2HB SER 106 2HB SER 106 -6.267 -8.577 7.280 880 HG SER 106 HG SER 106 -6.438 -8.134 10.070 881 H THR 107 H THR 107 -4.396 -10.376 6.742 882 HA THR 107 HA THR 107 -4.394 -12.457 8.785 883 HB THR 107 HB THR 107 -3.628 -12.615 5.844 884 HG1 THR 107 HG1 THR 107 -5.759 -12.884 5.462 885 1HG2 THR 107 1HG2 THR 107 -3.178 -14.555 7.560 886 2HG2 THR 107 2HG2 THR 107 -3.916 -14.921 6.000 887 3HG2 THR 107 3HG2 THR 107 -4.922 -14.799 7.443 888 H MET 108 H MET 108 -1.812 -10.890 6.836 889 HA MET 108 HA MET 108 0.287 -12.700 7.711 890 1HB MET 108 1HB MET 108 0.334 -9.833 6.704 891 2HB MET 108 2HB MET 108 1.772 -10.828 6.925 892 1HG MET 108 1HG MET 108 -0.567 -11.593 5.156 893 2HG MET 108 2HG MET 108 0.914 -10.840 4.566 894 1HE MET 108 1HE MET 108 -0.211 -14.333 6.668 895 2HE MET 108 2HE MET 108 -0.144 -15.007 5.041 896 3HE MET 108 3HE MET 108 -1.064 -13.534 5.340 897 H MET 109 H MET 109 -1.054 -9.646 9.042 898 HA MET 109 HA MET 109 0.949 -9.155 11.040 899 1HB MET 109 1HB MET 109 -0.931 -7.617 10.428 900 2HB MET 109 2HB MET 109 -2.067 -8.721 11.202 901 1HG MET 109 1HG MET 109 -0.520 -8.461 13.289 902 2HG MET 109 2HG MET 109 0.060 -7.010 12.470 903 1HE MET 109 1HE MET 109 -2.390 -9.013 14.023 904 2HE MET 109 2HE MET 109 -3.939 -8.177 14.092 905 3HE MET 109 3HE MET 109 -2.681 -7.785 15.262 906 H SER 110 H SER 110 -1.971 -11.295 11.142 907 HA SER 110 HA SER 110 -1.741 -12.057 13.901 908 1HB SER 110 1HB SER 110 -2.582 -13.814 11.565 909 2HB SER 110 2HB SER 110 -3.059 -14.011 13.249 910 HG SER 110 HG SER 110 -4.701 -12.894 12.365 911 H VAL 111 H VAL 111 0.100 -13.198 11.054 912 HA VAL 111 HA VAL 111 1.382 -15.372 12.564 913 HB VAL 111 HB VAL 111 2.118 -14.073 9.916 914 1HG1 VAL 111 1HG1 VAL 111 3.988 -15.348 10.641 915 2HG1 VAL 111 2HG1 VAL 111 3.107 -16.421 9.553 916 3HG1 VAL 111 3HG1 VAL 111 2.963 -16.624 11.299 917 1HG2 VAL 111 1HG2 VAL 111 0.963 -16.307 9.135 918 2HG2 VAL 111 2HG2 VAL 111 -0.035 -14.911 9.548 919 3HG2 VAL 111 3HG2 VAL 111 0.171 -16.223 10.709 920 H HIS 112 H HIS 112 1.891 -11.946 12.570 921 HA HIS 112 HA HIS 112 4.788 -12.179 13.050 922 1HB HIS 112 1HB HIS 112 4.783 -9.991 12.406 923 2HB HIS 112 2HB HIS 112 3.138 -10.303 11.880 924 HD1 HIS 112 HD1 HIS 112 1.304 -9.886 14.009 925 HD2 HIS 112 HD2 HIS 112 4.923 -7.905 14.079 926 HE1 HIS 112 HE1 HIS 112 1.017 -7.976 15.627 927 H ARG 113 H ARG 113 1.759 -11.962 14.907 928 HA ARG 113 HA ARG 113 3.262 -11.327 17.399 929 1HB ARG 113 1HB ARG 113 1.046 -10.272 16.754 930 2HB ARG 113 2HB ARG 113 0.300 -11.852 16.991 931 1HG ARG 113 1HG ARG 113 0.557 -11.786 19.279 932 2HG ARG 113 2HG ARG 113 2.024 -10.811 19.192 933 1HD ARG 113 1HD ARG 113 0.822 -8.801 18.911 934 2HD ARG 113 2HD ARG 113 -0.646 -9.649 18.384 935 HE ARG 113 HE ARG 113 -1.173 -10.042 20.658 936 1HH1 ARG 113 1HH2 ARG 113 1.184 -7.791 20.698 937 2HH1 ARG 113 2HH2 ARG 113 1.929 -8.273 22.186 938 1HH2 ARG 113 1HH1 ARG 113 0.188 -11.265 22.394 939 2HH2 ARG 113 2HH1 ARG 113 1.364 -10.240 23.146 940 H GLY 114 H GLY 114 1.518 -14.072 15.867 941 1HA GLY 114 1HA GLY 114 1.325 -15.772 18.120 942 2HA GLY 114 2HA GLY 114 1.473 -16.333 16.456 943 H GLU 115 H GLU 115 4.126 -15.144 15.967 944 HA GLU 115 HA GLU 115 5.737 -17.075 17.595 945 1HB GLU 115 1HB GLU 115 5.561 -17.059 15.004 946 2HB GLU 115 2HB GLU 115 6.594 -15.633 15.081 947 1HG GLU 115 1HG GLU 115 8.267 -17.194 14.998 948 2HG GLU 115 2HG GLU 115 7.967 -17.282 16.734 949 H VAL 116 H VAL 116 5.958 -13.712 16.263 950 HA VAL 116 HA VAL 116 7.887 -13.101 18.482 951 HB VAL 116 HB VAL 116 7.517 -11.866 15.729 952 1HG1 VAL 116 1HG1 VAL 116 9.440 -11.299 17.997 953 2HG1 VAL 116 2HG1 VAL 116 8.362 -10.165 17.183 954 3HG1 VAL 116 3HG1 VAL 116 9.767 -10.809 16.334 955 1HG2 VAL 116 1HG2 VAL 116 9.254 -14.019 16.839 956 2HG2 VAL 116 2HG2 VAL 116 10.012 -12.884 15.723 957 3HG2 VAL 116 3HG2 VAL 116 8.612 -13.824 15.209 958 HA PRO 117 HA PRO 117 4.007 -10.580 19.083 959 1HB PRO 117 1HB PRO 117 3.647 -11.156 21.733 960 2HB PRO 117 2HB PRO 117 2.973 -12.153 20.428 961 1HG PRO 117 1HG PRO 117 5.383 -12.609 22.109 962 2HG PRO 117 2HG PRO 117 4.197 -13.770 21.494 963 1HD PRO 117 1HD PRO 117 6.677 -13.390 20.398 964 2HD PRO 117 2HD PRO 117 5.276 -14.006 19.496 965 H CYS 118 H CYS 118 6.722 -11.044 21.424 966 HA CYS 118 HA CYS 118 7.080 -8.082 21.465 967 1HB CYS 118 1HB CYS 118 5.556 -8.950 23.325 968 2HB CYS 118 2HB CYS 118 6.966 -9.797 23.960 969 HG CYS 118 HG CYS 118 7.089 -6.702 23.560 970 H THR 119 H THR 119 9.296 -7.487 21.722 971 HA THR 119 HA THR 119 11.224 -9.719 22.267 972 HB THR 119 HB THR 119 12.619 -8.539 20.461 973 HG1 THR 119 HG1 THR 119 11.586 -6.634 20.237 974 1HG2 THR 119 1HG2 THR 119 11.441 -9.675 18.647 975 2HG2 THR 119 2HG2 THR 119 9.968 -9.740 19.615 976 3HG2 THR 119 3HG2 THR 119 11.386 -10.670 20.103 977 H VAL 120 H VAL 120 13.199 -9.021 23.350 978 HA VAL 120 HA VAL 120 13.319 -6.144 24.147 979 HB VAL 120 HB VAL 120 13.657 -6.895 26.498 980 1HG1 VAL 120 1HG1 VAL 120 11.120 -7.976 25.236 981 2HG1 VAL 120 2HG1 VAL 120 11.396 -6.289 25.670 982 3HG1 VAL 120 3HG1 VAL 120 11.327 -7.524 26.927 983 1HG2 VAL 120 1HG2 VAL 120 12.827 -9.633 25.495 984 2HG2 VAL 120 2HG2 VAL 120 13.324 -9.197 27.130 985 3HG2 VAL 120 3HG2 VAL 120 14.504 -9.194 25.820 986 1H GLN 1 1H GLN 1 9.778 -25.227 -14.364 987 2H GLN 1 2H GLN 1 8.631 -26.252 -13.642 988 3H GLN 1 3H GLN 1 9.702 -25.356 -12.674 989 HA GLN 1 HA GLN 1 7.625 -24.161 -14.442 990 1HB GLN 1 1HB GLN 1 7.240 -25.645 -12.189 991 2HB GLN 1 2HB GLN 1 7.489 -24.050 -11.480 992 1HG GLN 1 1HG GLN 1 5.267 -23.775 -11.899 993 2HG GLN 1 2HG GLN 1 5.807 -23.433 -13.543 994 1HE2 GLN 1 1HE2 GLN 1 6.431 -25.971 -14.558 995 2HE2 GLN 1 2HE2 GLN 1 5.055 -26.965 -14.513 996 H LYS 2 H LYS 2 8.084 -21.980 -14.799 997 HA LYS 2 HA LYS 2 9.986 -20.642 -12.897 998 1HB LYS 2 1HB LYS 2 10.486 -21.286 -15.460 999 2HB LYS 2 2HB LYS 2 9.669 -19.746 -15.727 1000 1HG LYS 2 1HG LYS 2 11.286 -18.531 -14.550 1001 2HG LYS 2 2HG LYS 2 11.836 -19.947 -13.654 1002 1HD LYS 2 1HD LYS 2 13.153 -20.711 -15.391 1003 2HD LYS 2 2HD LYS 2 12.125 -19.986 -16.627 1004 1HE LYS 2 1HE LYS 2 12.981 -17.725 -15.431 1005 2HE LYS 2 2HE LYS 2 14.375 -18.772 -15.097 1006 1HZ LYS 2 1HZ LYS 2 14.496 -19.367 -17.401 1007 2HZ LYS 2 2HZ LYS 2 14.499 -17.672 -17.295 1008 3HZ LYS 2 3HZ LYS 2 13.086 -18.494 -17.760 1009 H THR 3 H THR 3 8.954 -18.983 -11.775 1010 HA THR 3 HA THR 3 6.625 -17.641 -13.116 1011 HB THR 3 HB THR 3 6.066 -17.181 -10.615 1012 HG1 THR 3 HG1 THR 3 7.090 -18.465 -9.175 1013 1HG2 THR 3 1HG2 THR 3 5.939 -19.824 -12.037 1014 2HG2 THR 3 2HG2 THR 3 4.639 -18.683 -11.697 1015 3HG2 THR 3 3HG2 THR 3 5.303 -19.675 -10.399 1016 H GLY 4 H GLY 4 6.328 -15.287 -12.187 1017 1HA GLY 4 1HA GLY 4 8.683 -13.763 -12.733 1018 2HA GLY 4 2HA GLY 4 7.214 -13.127 -11.989 1019 H THR 5 H THR 5 10.439 -13.373 -11.402 1020 HA THR 5 HA THR 5 10.019 -13.667 -8.442 1021 HB THR 5 HB THR 5 12.561 -14.244 -9.978 1022 HG1 THR 5 HG1 THR 5 11.880 -16.321 -10.187 1023 1HG2 THR 5 1HG2 THR 5 12.762 -13.982 -7.548 1024 2HG2 THR 5 2HG2 THR 5 13.012 -15.668 -8.001 1025 3HG2 THR 5 3HG2 THR 5 11.475 -15.162 -7.301 1026 H ALA 6 H ALA 6 9.953 -11.449 -7.825 1027 HA ALA 6 HA ALA 6 12.448 -9.902 -8.326 1028 1HB ALA 6 1HB ALA 6 10.829 -9.367 -10.125 1029 2HB ALA 6 2HB ALA 6 11.117 -7.972 -9.083 1030 3HB ALA 6 3HB ALA 6 9.637 -8.915 -8.905 1031 H GLU 7 H GLU 7 9.152 -9.507 -6.835 1032 HA GLU 7 HA GLU 7 8.554 -8.787 -4.672 1033 1HB GLU 7 1HB GLU 7 10.555 -10.617 -4.382 1034 2HB GLU 7 2HB GLU 7 11.303 -9.212 -3.624 1035 1HG GLU 7 1HG GLU 7 10.155 -10.204 -1.833 1036 2HG GLU 7 2HG GLU 7 9.018 -8.972 -2.383 1037 H VAL 8 H VAL 8 8.893 -6.695 -6.233 1038 HA VAL 8 HA VAL 8 11.086 -4.917 -5.786 1039 HB VAL 8 HB VAL 8 8.157 -4.286 -6.312 1040 1HG1 VAL 8 1HG1 VAL 8 8.899 -2.144 -7.115 1041 2HG1 VAL 8 2HG1 VAL 8 10.594 -2.609 -6.963 1042 3HG1 VAL 8 3HG1 VAL 8 9.616 -2.361 -5.517 1043 1HG2 VAL 8 1HG2 VAL 8 10.439 -5.223 -7.979 1044 2HG2 VAL 8 2HG2 VAL 8 9.410 -3.976 -8.683 1045 3HG2 VAL 8 3HG2 VAL 8 8.711 -5.514 -8.175 1046 H SER 9 H SER 9 8.026 -5.287 -3.938 1047 HA SER 9 HA SER 9 8.518 -3.119 -2.092 1048 1HB SER 9 1HB SER 9 6.909 -5.678 -1.998 1049 2HB SER 9 2HB SER 9 6.989 -4.619 -0.593 1050 HG SER 9 HG SER 9 5.228 -4.103 -1.953 1051 H SER 10 H SER 10 9.558 -6.550 -2.107 1052 HA SER 10 HA SER 10 10.701 -6.539 0.559 1053 1HB SER 10 1HB SER 10 10.235 -8.617 -0.623 1054 2HB SER 10 2HB SER 10 11.288 -8.144 -1.954 1055 HG SER 10 HG SER 10 13.033 -8.467 -0.698 1056 H ILE 11 H ILE 11 12.292 -6.211 -2.677 1057 HA ILE 11 HA ILE 11 14.890 -5.568 -1.627 1058 HB ILE 11 HB ILE 11 14.374 -6.243 -3.984 1059 1HG1 ILE 11 1HG1 ILE 11 15.745 -3.543 -3.848 1060 2HG1 ILE 11 2HG1 ILE 11 16.503 -5.057 -3.349 1061 1HG2 ILE 11 1HG2 ILE 11 12.374 -4.914 -4.362 1062 2HG2 ILE 11 2HG2 ILE 11 13.593 -4.465 -5.550 1063 3HG2 ILE 11 3HG2 ILE 11 13.284 -3.420 -4.163 1064 1HD1 ILE 11 1HD1 ILE 11 15.233 -5.076 -6.035 1065 2HD1 ILE 11 2HD1 ILE 11 16.750 -5.799 -5.499 1066 3HD1 ILE 11 3HD1 ILE 11 16.680 -4.077 -5.873 1067 H LEU 12 H LEU 12 12.053 -3.477 -2.290 1068 HA LEU 12 HA LEU 12 13.465 -0.964 -1.914 1069 1HB LEU 12 1HB LEU 12 11.177 -1.361 -2.989 1070 2HB LEU 12 2HB LEU 12 10.536 -1.530 -1.355 1071 HG LEU 12 HG LEU 12 11.638 0.747 -0.875 1072 1HD1 LEU 12 1HD1 LEU 12 12.076 2.162 -2.797 1073 2HD1 LEU 12 2HD1 LEU 12 11.551 0.893 -3.902 1074 3HD1 LEU 12 3HD1 LEU 12 13.032 0.690 -2.967 1075 1HD2 LEU 12 1HD2 LEU 12 9.260 0.654 -0.997 1076 2HD2 LEU 12 2HD2 LEU 12 9.285 0.364 -2.737 1077 3HD2 LEU 12 3HD2 LEU 12 9.723 1.950 -2.101 1078 H GLU 13 H GLU 13 11.718 -3.162 0.333 1079 HA GLU 13 HA GLU 13 11.846 -1.423 2.638 1080 1HB GLU 13 1HB GLU 13 10.428 -3.488 2.391 1081 2HB GLU 13 2HB GLU 13 11.890 -4.463 2.548 1082 1HG GLU 13 1HG GLU 13 12.157 -2.870 4.726 1083 2HG GLU 13 2HG GLU 13 10.397 -2.942 4.616 1084 H GLU 14 H GLU 14 14.139 -3.886 1.368 1085 HA GLU 14 HA GLU 14 15.977 -3.777 3.596 1086 1HB GLU 14 1HB GLU 14 15.772 -5.359 1.466 1087 2HB GLU 14 2HB GLU 14 16.930 -4.216 0.781 1088 1HG GLU 14 1HG GLU 14 18.336 -5.801 1.777 1089 2HG GLU 14 2HG GLU 14 18.217 -4.568 3.032 1090 H ARG 15 H ARG 15 15.771 -1.850 0.570 1091 HA ARG 15 HA ARG 15 18.233 -0.395 0.930 1092 1HB ARG 15 1HB ARG 15 16.866 -0.494 -1.166 1093 2HB ARG 15 2HB ARG 15 15.651 0.522 -0.388 1094 1HG ARG 15 1HG ARG 15 17.813 2.046 0.079 1095 2HG ARG 15 2HG ARG 15 18.363 1.241 -1.391 1096 1HD ARG 15 1HD ARG 15 16.370 1.986 -2.598 1097 2HD ARG 15 2HD ARG 15 15.716 2.711 -1.117 1098 HE ARG 15 HE ARG 15 17.800 4.170 -1.113 1099 1HH1 ARG 15 1HH2 ARG 15 18.110 2.250 -3.786 1100 2HH1 ARG 15 2HH2 ARG 15 18.225 3.534 -4.944 1101 1HH2 ARG 15 1HH1 ARG 15 17.327 6.008 -2.686 1102 2HH2 ARG 15 2HH1 ARG 15 17.781 5.661 -4.321 1103 H ILE 16 H ILE 16 14.939 0.192 2.230 1104 HA ILE 16 HA ILE 16 15.902 2.714 3.487 1105 HB ILE 16 HB ILE 16 13.539 3.087 4.004 1106 1HG1 ILE 16 1HG1 ILE 16 12.872 0.442 2.697 1107 2HG1 ILE 16 2HG1 ILE 16 13.095 0.576 4.439 1108 1HG2 ILE 16 1HG2 ILE 16 13.676 1.944 1.211 1109 2HG2 ILE 16 2HG2 ILE 16 14.483 3.447 1.659 1110 3HG2 ILE 16 3HG2 ILE 16 12.728 3.319 1.779 1111 1HD1 ILE 16 1HD1 ILE 16 10.961 1.767 2.708 1112 2HD1 ILE 16 2HD1 ILE 16 11.430 2.607 4.187 1113 3HD1 ILE 16 3HD1 ILE 16 10.812 0.957 4.268 1114 H LEU 17 H LEU 17 14.927 -0.594 4.438 1115 HA LEU 17 HA LEU 17 16.194 -0.187 7.065 1116 1HB LEU 17 1HB LEU 17 13.905 0.825 7.229 1117 2HB LEU 17 2HB LEU 17 13.221 -0.754 6.838 1118 HG LEU 17 HG LEU 17 14.405 -1.707 8.825 1119 1HD1 LEU 17 1HD1 LEU 17 15.206 0.014 10.517 1120 2HD1 LEU 17 2HD1 LEU 17 15.129 1.207 9.218 1121 3HD1 LEU 17 3HD1 LEU 17 16.228 -0.167 9.091 1122 1HD2 LEU 17 1HD2 LEU 17 12.657 -1.156 10.211 1123 2HD2 LEU 17 2HD2 LEU 17 12.028 -0.421 8.737 1124 3HD2 LEU 17 3HD2 LEU 17 12.851 0.575 9.937 1125 H GLY 18 H GLY 18 17.479 -2.052 6.222 1126 1HA GLY 18 1HA GLY 18 16.248 -4.529 5.447 1127 2HA GLY 18 2HA GLY 18 17.924 -4.340 5.965 1128 H ALA 19 H ALA 19 18.425 -5.434 7.843 1129 HA ALA 19 HA ALA 19 16.182 -5.972 9.767 1130 1HB ALA 19 1HB ALA 19 18.055 -7.864 10.295 1131 2HB ALA 19 2HB ALA 19 18.403 -7.563 8.593 1132 3HB ALA 19 3HB ALA 19 16.790 -8.082 9.084 1133 H ASP 20 H ASP 20 17.401 -6.620 12.056 1134 HA ASP 20 HA ASP 20 19.528 -4.577 12.577 1135 1HB ASP 20 1HB ASP 20 17.086 -3.904 13.103 1136 2HB ASP 20 2HB ASP 20 17.179 -5.089 14.407 1137 H THR 21 H THR 21 20.610 -5.027 14.785 1138 HA THR 21 HA THR 21 20.461 -7.936 15.502 1139 HB THR 21 HB THR 21 23.002 -7.699 15.739 1140 HG1 THR 21 HG1 THR 21 23.292 -5.542 15.716 1141 1HG2 THR 21 1HG2 THR 21 23.264 -7.632 13.136 1142 2HG2 THR 21 2HG2 THR 21 21.502 -7.558 13.138 1143 3HG2 THR 21 3HG2 THR 21 22.328 -8.934 13.871 1144 H SER 22 H SER 22 19.647 -7.867 17.625 1145 HA SER 22 HA SER 22 20.995 -5.971 19.521 1146 1HB SER 22 1HB SER 22 18.554 -5.520 18.650 1147 2HB SER 22 2HB SER 22 18.114 -6.809 19.766 1148 HG SER 22 HG SER 22 18.132 -4.573 20.602 1149 H VAL 23 H VAL 23 22.332 -7.570 20.545 1150 HA VAL 23 HA VAL 23 20.832 -9.745 21.965 1151 HB VAL 23 HB VAL 23 23.505 -9.906 20.527 1152 1HG1 VAL 23 1HG1 VAL 23 21.899 -11.985 22.045 1153 2HG1 VAL 23 2HG1 VAL 23 23.482 -11.350 22.493 1154 3HG1 VAL 23 3HG1 VAL 23 23.307 -12.346 21.048 1155 1HG2 VAL 23 1HG2 VAL 23 22.331 -11.394 18.974 1156 2HG2 VAL 23 2HG2 VAL 23 21.508 -9.835 19.032 1157 3HG2 VAL 23 3HG2 VAL 23 20.840 -11.218 19.898 1158 H ASP 24 H ASP 24 20.944 -8.547 23.995 1159 HA ASP 24 HA ASP 24 23.733 -8.156 25.041 1160 1HB ASP 24 1HB ASP 24 21.191 -6.557 25.200 1161 2HB ASP 24 2HB ASP 24 22.382 -6.418 26.495 1162 H LEU 25 H LEU 25 20.379 -8.359 26.398 1163 HA LEU 25 HA LEU 25 21.312 -10.591 28.157 1164 1HB LEU 25 1HB LEU 25 21.394 -8.129 29.089 1165 2HB LEU 25 2HB LEU 25 19.647 -8.326 29.227 1166 HG LEU 25 HG LEU 25 20.062 -10.453 30.508 1167 1HD1 LEU 25 1HD1 LEU 25 22.446 -10.501 31.529 1168 2HD1 LEU 25 2HD1 LEU 25 22.898 -9.490 30.156 1169 3HD1 LEU 25 3HD1 LEU 25 22.242 -11.106 29.884 1170 1HD2 LEU 25 1HD2 LEU 25 19.564 -8.356 31.684 1171 2HD2 LEU 25 2HD2 LEU 25 21.266 -7.900 31.625 1172 3HD2 LEU 25 3HD2 LEU 25 20.757 -9.284 32.592 Start of MODEL 16 1 1H PHE 1 1H PHE 1 -28.777 -16.727 13.309 2 2H PHE 1 2H PHE 1 -27.673 -17.953 13.713 3 3H PHE 1 3H PHE 1 -27.706 -17.320 12.136 4 HA PHE 1 HA PHE 1 -26.958 -15.160 12.965 5 1HB PHE 1 1HB PHE 1 -28.149 -15.893 15.213 6 2HB PHE 1 2HB PHE 1 -26.542 -16.497 15.622 7 HD1 PHE 1 HD1 PHE 1 -24.551 -14.860 15.306 8 HD2 PHE 1 HD2 PHE 1 -28.658 -13.616 15.492 9 HE1 PHE 1 HE1 PHE 1 -23.827 -12.556 15.872 10 HE2 PHE 1 HE2 PHE 1 -27.935 -11.313 16.057 11 HZ PHE 1 HZ PHE 1 -25.519 -10.783 16.247 12 H ALA 2 H ALA 2 -25.096 -15.544 11.672 13 HA ALA 2 HA ALA 2 -22.928 -17.152 12.966 14 1HB ALA 2 1HB ALA 2 -23.483 -17.218 10.002 15 2HB ALA 2 2HB ALA 2 -24.350 -18.292 11.100 16 3HB ALA 2 3HB ALA 2 -22.593 -18.385 10.979 17 H LYS 3 H LYS 3 -20.844 -16.208 12.701 18 HA LYS 3 HA LYS 3 -20.602 -13.911 10.804 19 1HB LYS 3 1HB LYS 3 -21.258 -13.330 13.246 20 2HB LYS 3 2HB LYS 3 -19.608 -13.802 13.653 21 1HG LYS 3 1HG LYS 3 -19.410 -11.493 13.265 22 2HG LYS 3 2HG LYS 3 -18.917 -12.197 11.723 23 1HD LYS 3 1HD LYS 3 -20.875 -11.570 10.652 24 2HD LYS 3 2HD LYS 3 -21.817 -11.580 12.144 25 1HE LYS 3 1HE LYS 3 -20.206 -9.582 12.813 26 2HE LYS 3 2HE LYS 3 -20.032 -9.428 11.053 27 1HZ LYS 3 1HZ LYS 3 -22.493 -9.560 10.908 28 2HZ LYS 3 2HZ LYS 3 -21.937 -8.169 11.712 29 3HZ LYS 3 3HZ LYS 3 -22.567 -9.473 12.601 30 H LEU 4 H LEU 4 -19.496 -16.604 10.543 31 HA LEU 4 HA LEU 4 -16.578 -15.971 10.848 32 1HB LEU 4 1HB LEU 4 -18.197 -18.422 11.534 33 2HB LEU 4 2HB LEU 4 -16.473 -18.562 11.184 34 HG LEU 4 HG LEU 4 -16.393 -16.486 12.901 35 1HD1 LEU 4 1HD1 LEU 4 -18.956 -17.950 13.392 36 2HD1 LEU 4 2HD1 LEU 4 -18.588 -16.237 13.594 37 3HD1 LEU 4 3HD1 LEU 4 -18.027 -17.406 14.788 38 1HD2 LEU 4 1HD2 LEU 4 -15.169 -18.663 13.045 39 2HD2 LEU 4 2HD2 LEU 4 -16.609 -19.389 13.760 40 3HD2 LEU 4 3HD2 LEU 4 -15.752 -18.107 14.615 41 H VAL 5 H VAL 5 -15.366 -17.860 9.402 42 HA VAL 5 HA VAL 5 -16.753 -17.832 6.738 43 HB VAL 5 HB VAL 5 -13.804 -17.792 7.478 44 1HG1 VAL 5 1HG1 VAL 5 -13.941 -18.853 5.365 45 2HG1 VAL 5 2HG1 VAL 5 -13.651 -17.157 4.976 46 3HG1 VAL 5 3HG1 VAL 5 -15.277 -17.826 4.842 47 1HG2 VAL 5 1HG2 VAL 5 -14.782 -15.658 7.999 48 2HG2 VAL 5 2HG2 VAL 5 -15.725 -15.658 6.509 49 3HG2 VAL 5 3HG2 VAL 5 -13.973 -15.471 6.442 50 H ARG 6 H ARG 6 -17.048 -19.848 5.743 51 HA ARG 6 HA ARG 6 -16.375 -22.261 7.275 52 1HB ARG 6 1HB ARG 6 -18.285 -21.549 5.373 53 2HB ARG 6 2HB ARG 6 -17.239 -22.667 4.498 54 1HG ARG 6 1HG ARG 6 -18.727 -24.150 5.489 55 2HG ARG 6 2HG ARG 6 -17.449 -24.104 6.704 56 1HD ARG 6 1HD ARG 6 -18.776 -23.032 8.228 57 2HD ARG 6 2HD ARG 6 -19.519 -21.998 6.991 58 HE ARG 6 HE ARG 6 -21.161 -23.680 6.624 59 1HH1 ARG 6 1HH2 ARG 6 -19.723 -24.280 9.510 60 2HH1 ARG 6 2HH2 ARG 6 -19.957 -25.996 9.513 61 1HH2 ARG 6 1HH1 ARG 6 -20.959 -26.131 6.195 62 2HH2 ARG 6 2HH1 ARG 6 -20.657 -27.044 7.636 63 HA PRO 7 HA PRO 7 -13.341 -23.089 3.746 64 1HB PRO 7 1HB PRO 7 -12.960 -21.241 1.774 65 2HB PRO 7 2HB PRO 7 -14.227 -22.481 1.705 66 1HG PRO 7 1HG PRO 7 -14.445 -19.596 2.252 67 2HG PRO 7 2HG PRO 7 -15.632 -20.712 1.565 68 1HD PRO 7 1HD PRO 7 -15.559 -19.742 4.205 69 2HD PRO 7 2HD PRO 7 -16.588 -21.045 3.579 70 HA PRO 8 HA PRO 8 -10.538 -20.315 6.012 71 1HB PRO 8 1HB PRO 8 -8.498 -22.114 6.305 72 2HB PRO 8 2HB PRO 8 -9.924 -22.093 7.361 73 1HG PRO 8 1HG PRO 8 -9.299 -23.874 5.063 74 2HG PRO 8 2HG PRO 8 -10.084 -24.251 6.605 75 1HD PRO 8 1HD PRO 8 -11.440 -23.905 4.261 76 2HD PRO 8 2HD PRO 8 -12.144 -23.600 5.864 77 H VAL 9 H VAL 9 -9.194 -18.856 4.919 78 HA VAL 9 HA VAL 9 -7.509 -19.909 2.677 79 HB VAL 9 HB VAL 9 -9.276 -17.434 2.673 80 1HG1 VAL 9 1HG1 VAL 9 -6.951 -17.757 1.292 81 2HG1 VAL 9 2HG1 VAL 9 -8.320 -16.824 0.689 82 3HG1 VAL 9 3HG1 VAL 9 -8.093 -18.492 0.167 83 1HG2 VAL 9 1HG2 VAL 9 -10.526 -19.580 2.487 84 2HG2 VAL 9 2HG2 VAL 9 -9.516 -20.029 1.114 85 3HG2 VAL 9 3HG2 VAL 9 -10.600 -18.643 0.995 86 H GLN 10 H GLN 10 -5.386 -19.124 2.831 87 HA GLN 10 HA GLN 10 -4.921 -16.553 4.272 88 1HB GLN 10 1HB GLN 10 -3.711 -19.261 4.919 89 2HB GLN 10 2HB GLN 10 -3.158 -17.738 5.616 90 1HG GLN 10 1HG GLN 10 -5.521 -17.354 6.428 91 2HG GLN 10 2HG GLN 10 -5.895 -18.999 5.914 92 1HE2 GLN 10 1HE2 GLN 10 -4.724 -20.805 7.056 93 2HE2 GLN 10 2HE2 GLN 10 -4.061 -20.525 8.594 94 H ILE 11 H ILE 11 -3.380 -15.343 3.150 95 HA ILE 11 HA ILE 11 -1.708 -14.806 1.585 96 HB ILE 11 HB ILE 11 -0.820 -17.592 2.386 97 1HG1 ILE 11 1HG1 ILE 11 0.747 -15.989 3.820 98 2HG1 ILE 11 2HG1 ILE 11 -0.610 -14.877 3.638 99 1HG2 ILE 11 1HG2 ILE 11 1.451 -16.274 1.890 100 2HG2 ILE 11 2HG2 ILE 11 0.389 -15.379 0.800 101 3HG2 ILE 11 3HG2 ILE 11 0.575 -17.123 0.616 102 1HD1 ILE 11 1HD1 ILE 11 -0.484 -16.683 5.633 103 2HD1 ILE 11 2HD1 ILE 11 -1.275 -17.673 4.408 104 3HD1 ILE 11 3HD1 ILE 11 -2.012 -16.158 4.927 105 H TYR 12 H TYR 12 -2.687 -14.679 -0.461 106 HA TYR 12 HA TYR 12 -2.406 -17.013 -2.265 107 1HB TYR 12 1HB TYR 12 -5.002 -16.478 -2.834 108 2HB TYR 12 2HB TYR 12 -4.542 -17.680 -1.633 109 HD1 TYR 12 HD1 TYR 12 -4.581 -17.126 0.767 110 HD2 TYR 12 HD2 TYR 12 -6.048 -14.376 -2.175 111 HE1 TYR 12 HE1 TYR 12 -5.632 -15.811 2.551 112 HE2 TYR 12 HE2 TYR 12 -7.148 -13.057 -0.382 113 HH TYR 12 HH TYR 12 -6.509 -12.866 2.409 114 H GLY 13 H GLY 13 -0.970 -15.454 -3.417 115 1HA GLY 13 1HA GLY 13 -1.462 -14.275 -5.646 116 2HA GLY 13 2HA GLY 13 -2.452 -13.186 -4.670 117 H ILE 14 H ILE 14 0.575 -13.505 -6.038 118 HA ILE 14 HA ILE 14 2.495 -12.653 -4.183 119 HB ILE 14 HB ILE 14 2.652 -13.133 -6.712 120 1HG1 ILE 14 1HG1 ILE 14 4.587 -12.508 -5.303 121 2HG1 ILE 14 2HG1 ILE 14 4.732 -11.868 -6.935 122 1HG2 ILE 14 1HG2 ILE 14 1.082 -11.430 -7.501 123 2HG2 ILE 14 2HG2 ILE 14 2.683 -11.150 -8.187 124 3HG2 ILE 14 3HG2 ILE 14 2.110 -10.155 -6.848 125 1HD1 ILE 14 1HD1 ILE 14 4.365 -10.431 -4.363 126 2HD1 ILE 14 2HD1 ILE 14 3.475 -9.784 -5.739 127 3HD1 ILE 14 3HD1 ILE 14 5.230 -9.934 -5.816 128 H GLU 15 H GLU 15 -0.108 -10.638 -5.582 129 HA GLU 15 HA GLU 15 0.815 -8.054 -4.808 130 1HB GLU 15 1HB GLU 15 -1.543 -9.151 -5.857 131 2HB GLU 15 2HB GLU 15 -2.056 -8.448 -4.326 132 1HG GLU 15 1HG GLU 15 -1.024 -6.304 -4.956 133 2HG GLU 15 2HG GLU 15 -0.483 -7.005 -6.480 134 H GLY 16 H GLY 16 -0.709 -10.610 -2.803 135 1HA GLY 16 1HA GLY 16 -1.182 -9.010 -0.484 136 2HA GLY 16 2HA GLY 16 -0.919 -10.755 -0.469 137 H ARG 17 H ARG 17 1.762 -10.701 -1.631 138 HA ARG 17 HA ARG 17 3.369 -10.396 0.710 139 1HB ARG 17 1HB ARG 17 3.769 -11.515 -1.679 140 2HB ARG 17 2HB ARG 17 4.563 -9.976 -2.012 141 1HG ARG 17 1HG ARG 17 6.295 -10.409 -0.587 142 2HG ARG 17 2HG ARG 17 5.259 -11.223 0.585 143 1HD ARG 17 1HD ARG 17 5.486 -13.289 -0.442 144 2HD ARG 17 2HD ARG 17 5.726 -12.577 -2.050 145 HE ARG 17 HE ARG 17 8.033 -12.401 -1.563 146 1HH1 ARG 17 1HH2 ARG 17 7.747 -10.740 0.901 147 2HH1 ARG 17 2HH2 ARG 17 8.414 -11.772 2.121 148 1HH2 ARG 17 1HH1 ARG 17 8.214 -14.639 0.182 149 2HH2 ARG 17 2HH1 ARG 17 8.678 -13.980 1.715 150 H TYR 18 H TYR 18 2.387 -7.931 -1.672 151 HA TYR 18 HA TYR 18 4.398 -5.968 -1.181 152 1HB TYR 18 1HB TYR 18 1.508 -5.938 -1.974 153 2HB TYR 18 2HB TYR 18 2.228 -4.407 -1.496 154 HD1 TYR 18 HD1 TYR 18 3.600 -7.359 -3.376 155 HD2 TYR 18 HD2 TYR 18 2.687 -3.162 -3.400 156 HE1 TYR 18 HE1 TYR 18 4.636 -7.148 -5.617 157 HE2 TYR 18 HE2 TYR 18 3.722 -2.947 -5.639 158 HH TYR 18 HH TYR 18 4.236 -5.320 -7.662 159 H ALA 19 H ALA 19 1.461 -6.765 0.729 160 HA ALA 19 HA ALA 19 1.910 -4.596 2.651 161 1HB ALA 19 1HB ALA 19 -0.306 -5.283 2.685 162 2HB ALA 19 2HB ALA 19 0.315 -6.282 4.000 163 3HB ALA 19 3HB ALA 19 0.106 -6.974 2.391 164 H THR 20 H THR 20 2.711 -8.104 2.546 165 HA THR 20 HA THR 20 3.849 -8.051 5.228 166 HB THR 20 HB THR 20 4.920 -10.252 3.847 167 HG1 THR 20 HG1 THR 20 3.113 -11.016 2.713 168 1HG2 THR 20 1HG2 THR 20 2.408 -9.887 5.502 169 2HG2 THR 20 2HG2 THR 20 4.005 -10.358 6.085 170 3HG2 THR 20 3HG2 THR 20 3.076 -11.463 5.073 171 H ALA 21 H ALA 21 5.189 -7.581 1.954 172 HA ALA 21 HA ALA 21 7.955 -7.611 2.951 173 1HB ALA 21 1HB ALA 21 7.706 -8.166 0.658 174 2HB ALA 21 2HB ALA 21 8.296 -6.505 0.608 175 3HB ALA 21 3HB ALA 21 6.581 -6.838 0.371 176 H LEU 22 H LEU 22 5.369 -5.253 2.965 177 HA LEU 22 HA LEU 22 7.330 -3.012 3.301 178 1HB LEU 22 1HB LEU 22 5.374 -2.725 1.777 179 2HB LEU 22 2HB LEU 22 4.292 -3.058 3.130 180 HG LEU 22 HG LEU 22 5.948 -1.063 4.135 181 1HD1 LEU 22 1HD1 LEU 22 5.676 -0.813 1.180 182 2HD1 LEU 22 2HD1 LEU 22 6.956 -0.234 2.246 183 3HD1 LEU 22 3HD1 LEU 22 5.436 0.652 2.131 184 1HD2 LEU 22 1HD2 LEU 22 3.747 -0.739 4.673 185 2HD2 LEU 22 2HD2 LEU 22 3.174 -1.272 3.091 186 3HD2 LEU 22 3HD2 LEU 22 3.802 0.363 3.296 187 H TYR 23 H TYR 23 4.603 -4.647 4.984 188 HA TYR 23 HA TYR 23 5.152 -3.159 7.433 189 1HB TYR 23 1HB TYR 23 3.054 -3.833 7.907 190 2HB TYR 23 2HB TYR 23 3.001 -4.624 6.345 191 HD1 TYR 23 HD1 TYR 23 2.649 -6.925 6.232 192 HD2 TYR 23 HD2 TYR 23 4.127 -5.184 9.855 193 HE1 TYR 23 HE1 TYR 23 2.518 -9.116 7.329 194 HE2 TYR 23 HE2 TYR 23 3.959 -7.368 10.992 195 HH TYR 23 HH TYR 23 3.989 -10.068 9.766 196 H SER 24 H SER 24 6.589 -5.990 5.928 197 HA SER 24 HA SER 24 7.327 -7.587 8.161 198 1HB SER 24 1HB SER 24 8.096 -8.463 6.150 199 2HB SER 24 2HB SER 24 8.543 -6.881 5.516 200 HG SER 24 HG SER 24 10.410 -8.008 6.016 201 H ALA 25 H ALA 25 8.777 -4.529 6.969 202 HA ALA 25 HA ALA 25 10.776 -4.414 9.124 203 1HB ALA 25 1HB ALA 25 9.646 -2.300 7.241 204 2HB ALA 25 2HB ALA 25 11.110 -3.242 6.967 205 3HB ALA 25 3HB ALA 25 11.052 -2.068 8.281 206 H ALA 26 H ALA 26 7.522 -3.025 8.450 207 HA ALA 26 HA ALA 26 7.243 -1.376 10.766 208 1HB ALA 26 1HB ALA 26 5.025 -3.103 9.636 209 2HB ALA 26 2HB ALA 26 5.675 -1.735 8.734 210 3HB ALA 26 3HB ALA 26 4.905 -1.473 10.298 211 H SER 27 H SER 27 6.752 -4.925 10.418 212 HA SER 27 HA SER 27 5.573 -5.481 12.966 213 1HB SER 27 1HB SER 27 5.987 -7.090 11.049 214 2HB SER 27 2HB SER 27 7.680 -7.143 11.530 215 HG SER 27 HG SER 27 6.749 -8.796 12.607 216 H LYS 28 H LYS 28 9.038 -5.096 12.073 217 HA LYS 28 HA LYS 28 10.028 -5.630 14.771 218 1HB LYS 28 1HB LYS 28 11.194 -5.578 12.361 219 2HB LYS 28 2HB LYS 28 11.529 -3.909 12.824 220 1HG LYS 28 1HG LYS 28 12.919 -4.521 14.563 221 2HG LYS 28 2HG LYS 28 12.075 -6.046 14.840 222 1HD LYS 28 1HD LYS 28 13.096 -7.060 12.920 223 2HD LYS 28 2HD LYS 28 13.734 -5.512 12.365 224 1HE LYS 28 1HE LYS 28 15.640 -6.262 13.424 225 2HE LYS 28 2HE LYS 28 14.826 -5.616 14.862 226 1HZ LYS 28 1HZ LYS 28 13.838 -7.734 15.283 227 2HZ LYS 28 2HZ LYS 28 15.509 -7.977 15.093 228 3HZ LYS 28 3HZ LYS 28 14.441 -8.375 13.833 229 H GLN 29 H GLN 29 9.155 -2.656 12.949 230 HA GLN 29 HA GLN 29 9.918 -0.927 15.221 231 1HB GLN 29 1HB GLN 29 8.560 -0.429 12.556 232 2HB GLN 29 2HB GLN 29 8.966 0.852 13.699 233 1HG GLN 29 1HG GLN 29 11.288 0.487 13.468 234 2HG GLN 29 2HG GLN 29 11.052 -1.108 12.753 235 1HE2 GLN 29 1HE2 GLN 29 12.092 1.866 11.828 236 2HE2 GLN 29 2HE2 GLN 29 11.492 1.913 10.242 237 H ASN 30 H ASN 30 7.208 -2.915 14.726 238 HA ASN 30 HA ASN 30 5.149 -3.018 15.828 239 1HB ASN 30 1HB ASN 30 6.732 -1.978 17.651 240 2HB ASN 30 2HB ASN 30 5.863 -0.484 17.296 241 1HD2 ASN 30 1HD2 ASN 30 5.778 -2.507 19.714 242 2HD2 ASN 30 2HD2 ASN 30 4.113 -2.774 19.913 243 H LYS 31 H LYS 31 5.338 -1.698 13.276 244 HA LYS 31 HA LYS 31 3.466 0.615 13.608 245 1HB LYS 31 1HB LYS 31 5.576 -0.199 11.683 246 2HB LYS 31 2HB LYS 31 4.178 0.632 11.000 247 1HG LYS 31 1HG LYS 31 5.284 2.529 11.598 248 2HG LYS 31 2HG LYS 31 4.676 2.170 13.213 249 1HD LYS 31 1HD LYS 31 6.718 1.094 13.844 250 2HD LYS 31 2HD LYS 31 7.298 1.072 12.179 251 1HE LYS 31 1HE LYS 31 8.421 2.891 13.365 252 2HE LYS 31 2HE LYS 31 7.264 3.607 12.224 253 1HZ LYS 31 1HZ LYS 31 5.634 3.755 13.968 254 2HZ LYS 31 2HZ LYS 31 7.053 4.534 14.484 255 3HZ LYS 31 3HZ LYS 31 6.670 2.985 15.069 256 H LEU 32 H LEU 32 2.927 -2.589 13.398 257 HA LEU 32 HA LEU 32 1.477 -3.213 11.063 258 1HB LEU 32 1HB LEU 32 1.277 -3.918 13.981 259 2HB LEU 32 2HB LEU 32 -0.012 -4.460 12.910 260 HG LEU 32 HG LEU 32 1.965 -6.077 13.267 261 1HD1 LEU 32 1HD1 LEU 32 1.571 -6.999 11.176 262 2HD1 LEU 32 2HD1 LEU 32 1.617 -5.436 10.359 263 3HD1 LEU 32 3HD1 LEU 32 0.208 -5.894 11.314 264 1HD2 LEU 32 1HD2 LEU 32 3.306 -4.094 11.397 265 2HD2 LEU 32 2HD2 LEU 32 3.927 -5.684 11.807 266 3HD2 LEU 32 3HD2 LEU 32 3.798 -4.459 13.049 267 H GLU 33 H GLU 33 0.412 -1.246 13.871 268 HA GLU 33 HA GLU 33 -2.289 -0.826 12.768 269 1HB GLU 33 1HB GLU 33 -0.634 0.276 15.038 270 2HB GLU 33 2HB GLU 33 -2.110 1.118 14.562 271 1HG GLU 33 1HG GLU 33 -3.418 -0.924 14.893 272 2HG GLU 33 2HG GLU 33 -1.953 -1.823 15.289 273 H GLN 34 H GLN 34 0.798 1.011 12.905 274 HA GLN 34 HA GLN 34 -0.074 3.384 11.547 275 1HB GLN 34 1HB GLN 34 2.605 1.960 11.578 276 2HB GLN 34 2HB GLN 34 2.363 3.603 10.985 277 1HG GLN 34 1HG GLN 34 1.157 3.346 13.598 278 2HG GLN 34 2HG GLN 34 2.825 2.779 13.666 279 1HE2 GLN 34 1HE2 GLN 34 1.073 5.534 12.043 280 2HE2 GLN 34 2HE2 GLN 34 2.238 6.690 12.475 281 H VAL 35 H VAL 35 0.797 0.169 10.255 282 HA VAL 35 HA VAL 35 0.586 1.283 7.488 283 HB VAL 35 HB VAL 35 1.357 -1.549 8.226 284 1HG1 VAL 35 1HG1 VAL 35 0.996 -0.839 5.846 285 2HG1 VAL 35 2HG1 VAL 35 2.623 -1.434 6.171 286 3HG1 VAL 35 3HG1 VAL 35 2.328 0.301 6.036 287 1HG2 VAL 35 1HG2 VAL 35 3.786 -0.270 7.952 288 2HG2 VAL 35 2HG2 VAL 35 3.066 -0.707 9.498 289 3HG2 VAL 35 3HG2 VAL 35 2.857 0.924 8.858 290 H GLU 36 H GLU 36 -0.868 -1.278 9.582 291 HA GLU 36 HA GLU 36 -2.642 -2.321 7.550 292 1HB GLU 36 1HB GLU 36 -1.986 -3.333 9.818 293 2HB GLU 36 2HB GLU 36 -3.200 -2.270 10.524 294 1HG GLU 36 1HG GLU 36 -4.766 -3.272 8.673 295 2HG GLU 36 2HG GLU 36 -3.578 -4.576 8.635 296 H LYS 37 H LYS 37 -2.938 0.534 9.663 297 HA LYS 37 HA LYS 37 -5.825 0.799 8.996 298 1HB LYS 37 1HB LYS 37 -4.881 1.275 11.282 299 2HB LYS 37 2HB LYS 37 -3.988 2.627 10.583 300 1HG LYS 37 1HG LYS 37 -5.934 3.851 10.136 301 2HG LYS 37 2HG LYS 37 -6.961 2.417 10.173 302 1HD LYS 37 1HD LYS 37 -5.483 3.316 12.642 303 2HD LYS 37 2HD LYS 37 -7.038 4.027 12.212 304 1HE LYS 37 1HE LYS 37 -7.715 1.445 11.934 305 2HE LYS 37 2HE LYS 37 -6.422 1.255 13.136 306 1HZ LYS 37 1HZ LYS 37 -8.698 3.157 13.329 307 2HZ LYS 37 2HZ LYS 37 -7.446 2.996 14.465 308 3HZ LYS 37 3HZ LYS 37 -8.541 1.720 14.216 309 H GLU 38 H GLU 38 -2.706 2.410 8.241 310 HA GLU 38 HA GLU 38 -3.929 4.584 6.741 311 1HB GLU 38 1HB GLU 38 -1.153 3.341 6.650 312 2HB GLU 38 2HB GLU 38 -1.588 4.882 5.925 313 1HG GLU 38 1HG GLU 38 -2.107 4.368 8.844 314 2HG GLU 38 2HG GLU 38 -0.526 4.908 8.288 315 H LEU 39 H LEU 39 -2.616 1.358 5.836 316 HA LEU 39 HA LEU 39 -2.869 1.572 2.994 317 1HB LEU 39 1HB LEU 39 -2.693 -0.575 5.010 318 2HB LEU 39 2HB LEU 39 -3.617 -1.050 3.590 319 HG LEU 39 HG LEU 39 -1.748 -0.268 2.146 320 1HD1 LEU 39 1HD1 LEU 39 -0.709 0.561 4.801 321 2HD1 LEU 39 2HD1 LEU 39 -0.438 1.278 3.214 322 3HD1 LEU 39 3HD1 LEU 39 0.469 -0.153 3.702 323 1HD2 LEU 39 1HD2 LEU 39 -0.134 -2.101 2.862 324 2HD2 LEU 39 2HD2 LEU 39 -1.809 -2.616 2.665 325 3HD2 LEU 39 3HD2 LEU 39 -1.157 -2.338 4.279 326 H LEU 40 H LEU 40 -5.364 0.852 5.471 327 HA LEU 40 HA LEU 40 -7.495 0.057 3.751 328 1HB LEU 40 1HB LEU 40 -7.503 0.021 6.255 329 2HB LEU 40 2HB LEU 40 -7.661 1.778 6.252 330 HG LEU 40 HG LEU 40 -9.734 1.398 4.757 331 1HD1 LEU 40 1HD1 LEU 40 -10.736 -0.941 5.543 332 2HD1 LEU 40 2HD1 LEU 40 -9.028 -1.376 5.632 333 3HD1 LEU 40 3HD1 LEU 40 -9.720 -0.824 4.106 334 1HD2 LEU 40 1HD2 LEU 40 -11.129 0.830 6.810 335 2HD2 LEU 40 2HD2 LEU 40 -10.008 2.176 7.015 336 3HD2 LEU 40 3HD2 LEU 40 -9.611 0.590 7.675 337 H ARG 41 H ARG 41 -6.304 3.355 4.515 338 HA ARG 41 HA ARG 41 -8.465 4.857 3.394 339 1HB ARG 41 1HB ARG 41 -5.542 5.290 3.873 340 2HB ARG 41 2HB ARG 41 -6.369 6.442 2.825 341 1HG ARG 41 1HG ARG 41 -6.767 7.437 4.872 342 2HG ARG 41 2HG ARG 41 -8.176 6.379 4.781 343 1HD ARG 41 1HD ARG 41 -7.163 4.742 6.212 344 2HD ARG 41 2HD ARG 41 -5.575 5.525 6.089 345 HE ARG 41 HE ARG 41 -7.939 6.814 7.405 346 1HH1 ARG 41 1HH1 ARG 41 -5.708 8.647 6.709 347 2HH1 ARG 41 2HH1 ARG 41 -4.735 8.618 8.141 348 1HH2 ARG 41 1HH2 ARG 41 -6.192 5.732 9.394 349 2HH2 ARG 41 2HH2 ARG 41 -5.009 6.969 9.661 350 H VAL 42 H VAL 42 -5.594 3.409 1.784 351 HA VAL 42 HA VAL 42 -6.153 4.502 -0.839 352 HB VAL 42 HB VAL 42 -4.720 1.951 0.011 353 1HG1 VAL 42 1HG1 VAL 42 -3.489 2.604 -2.256 354 2HG1 VAL 42 2HG1 VAL 42 -5.045 3.348 -2.619 355 3HG1 VAL 42 3HG1 VAL 42 -4.953 1.621 -2.274 356 1HG2 VAL 42 1HG2 VAL 42 -3.262 4.388 -0.875 357 2HG2 VAL 42 2HG2 VAL 42 -2.850 3.226 0.385 358 3HG2 VAL 42 3HG2 VAL 42 -4.048 4.480 0.702 359 H GLY 43 H GLY 43 -7.195 1.472 0.791 360 1HA GLY 43 1HA GLY 43 -8.537 0.366 -1.498 361 2HA GLY 43 2HA GLY 43 -8.839 -0.084 0.182 362 H GLN 44 H GLN 44 -9.704 2.342 1.282 363 HA GLN 44 HA GLN 44 -12.461 2.457 0.455 364 1HB GLN 44 1HB GLN 44 -11.197 3.244 2.646 365 2HB GLN 44 2HB GLN 44 -11.088 4.782 1.789 366 1HG GLN 44 1HG GLN 44 -13.748 3.457 1.772 367 2HG GLN 44 2HG GLN 44 -13.212 4.111 3.320 368 1HE2 GLN 44 1HE2 GLN 44 -14.690 5.963 3.297 369 2HE2 GLN 44 2HE2 GLN 44 -14.514 7.221 2.172 370 H ILE 45 H ILE 45 -9.648 4.539 -0.366 371 HA ILE 45 HA ILE 45 -11.134 6.478 -1.921 372 HB ILE 45 HB ILE 45 -8.246 5.510 -2.068 373 1HG1 ILE 45 1HG1 ILE 45 -9.221 8.109 -0.898 374 2HG1 ILE 45 2HG1 ILE 45 -9.281 6.631 0.061 375 1HG2 ILE 45 1HG2 ILE 45 -8.220 8.097 -2.974 376 2HG2 ILE 45 2HG2 ILE 45 -9.745 7.521 -3.645 377 3HG2 ILE 45 3HG2 ILE 45 -8.242 6.685 -4.031 378 1HD1 ILE 45 1HD1 ILE 45 -7.165 7.874 0.426 379 2HD1 ILE 45 2HD1 ILE 45 -6.799 7.726 -1.293 380 3HD1 ILE 45 3HD1 ILE 45 -6.877 6.284 -0.280 381 H LEU 46 H LEU 46 -9.629 3.337 -2.810 382 HA LEU 46 HA LEU 46 -10.310 3.689 -5.645 383 1HB LEU 46 1HB LEU 46 -8.951 1.696 -3.943 384 2HB LEU 46 2HB LEU 46 -9.884 0.975 -5.253 385 HG LEU 46 HG LEU 46 -8.773 2.533 -6.844 386 1HD1 LEU 46 1HD1 LEU 46 -8.223 4.185 -4.939 387 2HD1 LEU 46 2HD1 LEU 46 -6.990 3.943 -6.177 388 3HD1 LEU 46 3HD1 LEU 46 -6.837 3.145 -4.612 389 1HD2 LEU 46 1HD2 LEU 46 -7.870 0.171 -5.901 390 2HD2 LEU 46 2HD2 LEU 46 -6.506 1.197 -5.457 391 3HD2 LEU 46 3HD2 LEU 46 -7.016 1.085 -7.138 392 H LYS 47 H LYS 47 -11.886 2.167 -2.835 393 HA LYS 47 HA LYS 47 -13.929 0.803 -4.412 394 1HB LYS 47 1HB LYS 47 -13.219 0.216 -2.054 395 2HB LYS 47 2HB LYS 47 -14.013 1.694 -1.506 396 1HG LYS 47 1HG LYS 47 -16.103 0.791 -2.736 397 2HG LYS 47 2HG LYS 47 -15.263 -0.760 -2.734 398 1HD LYS 47 1HD LYS 47 -15.754 0.893 -0.242 399 2HD LYS 47 2HD LYS 47 -16.794 -0.435 -0.762 400 1HE LYS 47 1HE LYS 47 -14.852 -1.985 -0.663 401 2HE LYS 47 2HE LYS 47 -13.838 -0.649 -0.081 402 1HZ LYS 47 1HZ LYS 47 -15.417 -0.313 1.738 403 2HZ LYS 47 2HZ LYS 47 -14.746 -1.873 1.786 404 3HZ LYS 47 3HZ LYS 47 -16.326 -1.643 1.206 405 H GLU 48 H GLU 48 -13.553 4.072 -3.014 406 HA GLU 48 HA GLU 48 -16.248 4.932 -3.060 407 1HB GLU 48 1HB GLU 48 -13.566 6.214 -3.353 408 2HB GLU 48 2HB GLU 48 -14.972 7.191 -3.780 409 1HG GLU 48 1HG GLU 48 -15.899 6.238 -1.475 410 2HG GLU 48 2HG GLU 48 -14.179 6.071 -1.122 411 HA PRO 49 HA PRO 49 -17.164 4.826 -7.400 412 1HB PRO 49 1HB PRO 49 -19.330 6.497 -7.462 413 2HB PRO 49 2HB PRO 49 -19.406 4.838 -6.837 414 1HG PRO 49 1HG PRO 49 -19.252 7.410 -5.362 415 2HG PRO 49 2HG PRO 49 -20.136 5.930 -4.966 416 1HD PRO 49 1HD PRO 49 -17.768 6.664 -3.796 417 2HD PRO 49 2HD PRO 49 -18.343 4.988 -3.919 418 H LYS 50 H LYS 50 -17.271 8.100 -5.870 419 HA LYS 50 HA LYS 50 -16.789 9.598 -8.279 420 1HB LYS 50 1HB LYS 50 -16.159 10.121 -5.356 421 2HB LYS 50 2HB LYS 50 -15.914 11.334 -6.615 422 1HG LYS 50 1HG LYS 50 -18.169 11.645 -6.949 423 2HG LYS 50 2HG LYS 50 -18.567 9.977 -6.540 424 1HD LYS 50 1HD LYS 50 -17.786 10.659 -4.132 425 2HD LYS 50 2HD LYS 50 -18.071 12.304 -4.704 426 1HE LYS 50 1HE LYS 50 -20.361 12.000 -4.858 427 2HE LYS 50 2HE LYS 50 -20.208 10.268 -5.216 428 1HZ LYS 50 1HZ LYS 50 -20.961 10.512 -2.965 429 2HZ LYS 50 2HZ LYS 50 -19.702 11.595 -2.606 430 3HZ LYS 50 3HZ LYS 50 -19.357 9.964 -2.932 431 H MET 51 H MET 51 -14.515 8.093 -5.944 432 HA MET 51 HA MET 51 -12.130 9.151 -7.284 433 1HB MET 51 1HB MET 51 -12.540 6.882 -5.324 434 2HB MET 51 2HB MET 51 -10.969 7.548 -5.758 435 1HG MET 51 1HG MET 51 -13.239 9.026 -4.393 436 2HG MET 51 2HG MET 51 -11.737 8.502 -3.639 437 1HE MET 51 1HE MET 51 -9.876 9.091 -6.365 438 2HE MET 51 2HE MET 51 -9.375 9.179 -4.679 439 3HE MET 51 3HE MET 51 -9.101 10.553 -5.742 440 H ALA 52 H ALA 52 -13.964 6.071 -7.422 441 HA ALA 52 HA ALA 52 -12.152 4.452 -8.868 442 1HB ALA 52 1HB ALA 52 -14.512 3.728 -9.983 443 2HB ALA 52 2HB ALA 52 -15.119 4.697 -8.640 444 3HB ALA 52 3HB ALA 52 -14.082 3.304 -8.327 445 H ALA 53 H ALA 53 -14.272 7.056 -10.111 446 HA ALA 53 HA ALA 53 -13.762 6.549 -12.921 447 1HB ALA 53 1HB ALA 53 -14.636 8.858 -13.202 448 2HB ALA 53 2HB ALA 53 -14.486 9.118 -11.465 449 3HB ALA 53 3HB ALA 53 -15.632 7.929 -12.082 450 H SER 54 H SER 54 -11.959 8.411 -10.446 451 HA SER 54 HA SER 54 -10.160 9.592 -12.473 452 1HB SER 54 1HB SER 54 -10.956 10.427 -10.057 453 2HB SER 54 2HB SER 54 -9.525 9.538 -9.542 454 HG SER 54 HG SER 54 -8.956 11.657 -10.035 455 H LEU 55 H LEU 55 -9.975 6.967 -10.028 456 HA LEU 55 HA LEU 55 -7.157 6.397 -10.596 457 1HB LEU 55 1HB LEU 55 -9.335 4.766 -9.244 458 2HB LEU 55 2HB LEU 55 -7.615 4.373 -9.208 459 HG LEU 55 HG LEU 55 -8.357 7.141 -8.411 460 1HD1 LEU 55 1HD1 LEU 55 -9.993 6.312 -7.032 461 2HD1 LEU 55 2HD1 LEU 55 -8.605 5.943 -6.008 462 3HD1 LEU 55 3HD1 LEU 55 -9.308 4.687 -7.027 463 1HD2 LEU 55 1HD2 LEU 55 -6.088 6.770 -8.143 464 2HD2 LEU 55 2HD2 LEU 55 -6.304 5.057 -7.787 465 3HD2 LEU 55 3HD2 LEU 55 -6.653 6.265 -6.550 466 H LEU 56 H LEU 56 -10.235 5.299 -12.011 467 HA LEU 56 HA LEU 56 -8.796 3.162 -13.516 468 1HB LEU 56 1HB LEU 56 -10.909 2.654 -12.329 469 2HB LEU 56 2HB LEU 56 -11.741 3.864 -13.304 470 HG LEU 56 HG LEU 56 -10.194 1.817 -14.804 471 1HD1 LEU 56 1HD1 LEU 56 -12.767 1.192 -13.323 472 2HD1 LEU 56 2HD1 LEU 56 -11.207 0.404 -13.095 473 3HD1 LEU 56 3HD1 LEU 56 -12.088 0.193 -14.608 474 1HD2 LEU 56 1HD2 LEU 56 -12.669 1.960 -15.909 475 2HD2 LEU 56 2HD2 LEU 56 -11.382 3.104 -16.288 476 3HD2 LEU 56 3HD2 LEU 56 -12.610 3.524 -15.096 477 H ASN 57 H ASN 57 -10.131 6.410 -14.064 478 HA ASN 57 HA ASN 57 -10.761 6.245 -16.820 479 1HB ASN 57 1HB ASN 57 -9.992 8.355 -14.899 480 2HB ASN 57 2HB ASN 57 -9.628 8.743 -16.578 481 1HD2 ASN 57 1HD2 ASN 57 -11.789 9.966 -14.883 482 2HD2 ASN 57 2HD2 ASN 57 -13.241 9.634 -15.696 483 HA PRO 58 HA PRO 58 -6.710 5.516 -18.528 484 1HB PRO 58 1HB PRO 58 -7.352 5.752 -21.170 485 2HB PRO 58 2HB PRO 58 -7.744 4.313 -20.208 486 1HG PRO 58 1HG PRO 58 -9.495 6.534 -21.088 487 2HG PRO 58 2HG PRO 58 -9.868 4.820 -20.860 488 1HD PRO 58 1HD PRO 58 -10.523 6.843 -19.088 489 2HD PRO 58 2HD PRO 58 -10.432 5.116 -18.685 490 H TYR 59 H TYR 59 -8.435 8.495 -18.583 491 HA TYR 59 HA TYR 59 -6.501 9.923 -20.296 492 1HB TYR 59 1HB TYR 59 -9.017 10.614 -18.765 493 2HB TYR 59 2HB TYR 59 -8.049 11.856 -19.572 494 HD1 TYR 59 HD1 TYR 59 -9.868 8.642 -20.150 495 HD2 TYR 59 HD2 TYR 59 -8.202 12.185 -21.921 496 HE1 TYR 59 HE1 TYR 59 -10.901 8.042 -22.314 497 HE2 TYR 59 HE2 TYR 59 -9.247 11.587 -24.090 498 HH TYR 59 HH TYR 59 -10.136 8.832 -25.002 499 H VAL 60 H VAL 60 -6.418 8.915 -17.033 500 HA VAL 60 HA VAL 60 -5.226 11.446 -16.028 501 HB VAL 60 HB VAL 60 -5.642 8.747 -14.698 502 1HG1 VAL 60 1HG1 VAL 60 -4.070 9.862 -13.363 503 2HG1 VAL 60 2HG1 VAL 60 -5.597 10.367 -12.641 504 3HG1 VAL 60 3HG1 VAL 60 -4.738 11.451 -13.735 505 1HG2 VAL 60 1HG2 VAL 60 -7.822 9.451 -15.086 506 2HG2 VAL 60 2HG2 VAL 60 -7.379 11.158 -15.096 507 3HG2 VAL 60 3HG2 VAL 60 -7.496 10.286 -13.567 508 H LYS 61 H LYS 61 -3.887 9.223 -18.039 509 HA LYS 61 HA LYS 61 -1.708 8.418 -18.393 510 1HB LYS 61 1HB LYS 61 -1.739 11.107 -17.712 511 2HB LYS 61 2HB LYS 61 -0.505 10.446 -16.639 512 1HG LYS 61 1HG LYS 61 0.378 9.247 -18.782 513 2HG LYS 61 2HG LYS 61 -0.579 10.449 -19.649 514 1HD LYS 61 1HD LYS 61 0.602 12.251 -18.407 515 2HD LYS 61 2HD LYS 61 1.600 11.027 -17.621 516 1HE LYS 61 1HE LYS 61 2.867 10.671 -19.501 517 2HE LYS 61 2HE LYS 61 1.485 10.892 -20.592 518 1HZ LYS 61 1HZ LYS 61 2.929 12.787 -20.785 519 2HZ LYS 61 2HZ LYS 61 2.925 13.022 -19.102 520 3HZ LYS 61 3HZ LYS 61 1.505 13.271 -20.001 521 H ARG 62 H ARG 62 0.549 8.089 -16.955 522 HA ARG 62 HA ARG 62 -0.347 6.584 -14.516 523 1HB ARG 62 1HB ARG 62 1.358 6.025 -16.804 524 2HB ARG 62 2HB ARG 62 2.267 5.826 -15.307 525 1HG ARG 62 1HG ARG 62 -0.491 4.656 -15.508 526 2HG ARG 62 2HG ARG 62 0.861 3.812 -16.264 527 1HD ARG 62 1HD ARG 62 2.009 3.568 -14.177 528 2HD ARG 62 2HD ARG 62 0.932 4.727 -13.372 529 HE ARG 62 HE ARG 62 0.284 1.936 -13.994 530 1HH1 ARG 62 1HH2 ARG 62 -0.466 4.203 -11.819 531 2HH1 ARG 62 2HH2 ARG 62 -2.190 4.095 -11.946 532 1HH2 ARG 62 1HH1 ARG 62 -2.123 2.179 -14.835 533 2HH2 ARG 62 2HH1 ARG 62 -3.128 2.950 -13.653 534 H SER 63 H SER 63 2.533 8.403 -15.756 535 HA SER 63 HA SER 63 3.770 8.789 -13.196 536 1HB SER 63 1HB SER 63 3.815 10.431 -15.750 537 2HB SER 63 2HB SER 63 4.876 10.752 -14.382 538 HG SER 63 HG SER 63 5.860 8.828 -14.689 539 H VAL 64 H VAL 64 1.322 10.771 -14.929 540 HA VAL 64 HA VAL 64 1.286 12.954 -13.033 541 HB VAL 64 HB VAL 64 -0.920 11.861 -14.829 542 1HG1 VAL 64 1HG1 VAL 64 -0.552 14.515 -13.410 543 2HG1 VAL 64 2HG1 VAL 64 -1.889 13.378 -13.229 544 3HG1 VAL 64 3HG1 VAL 64 -1.695 14.278 -14.733 545 1HG2 VAL 64 1HG2 VAL 64 0.831 12.398 -16.290 546 2HG2 VAL 64 2HG2 VAL 64 1.415 13.710 -15.267 547 3HG2 VAL 64 3HG2 VAL 64 -0.059 13.918 -16.214 548 H LYS 65 H LYS 65 -0.601 9.897 -13.213 549 HA LYS 65 HA LYS 65 -2.306 10.449 -10.947 550 1HB LYS 65 1HB LYS 65 -2.651 8.636 -12.642 551 2HB LYS 65 2HB LYS 65 -1.271 7.774 -11.958 552 1HG LYS 65 1HG LYS 65 -2.916 6.769 -10.712 553 2HG LYS 65 2HG LYS 65 -2.678 8.191 -9.697 554 1HD LYS 65 1HD LYS 65 -4.566 8.503 -11.972 555 2HD LYS 65 2HD LYS 65 -5.101 7.469 -10.647 556 1HE LYS 65 1HE LYS 65 -3.851 10.001 -9.766 557 2HE LYS 65 2HE LYS 65 -5.379 10.196 -10.648 558 1HZ LYS 65 1HZ LYS 65 -5.854 9.791 -8.335 559 2HZ LYS 65 2HZ LYS 65 -4.892 8.391 -8.337 560 3HZ LYS 65 3HZ LYS 65 -6.330 8.438 -9.239 561 H VAL 66 H VAL 66 0.935 8.911 -11.182 562 HA VAL 66 HA VAL 66 1.120 8.130 -8.408 563 HB VAL 66 HB VAL 66 3.293 8.935 -10.385 564 1HG1 VAL 66 1HG1 VAL 66 3.466 7.217 -7.890 565 2HG1 VAL 66 2HG1 VAL 66 4.042 8.879 -8.006 566 3HG1 VAL 66 3HG1 VAL 66 4.796 7.615 -8.977 567 1HG2 VAL 66 1HG2 VAL 66 2.772 6.087 -9.752 568 2HG2 VAL 66 2HG2 VAL 66 3.138 6.846 -11.300 569 3HG2 VAL 66 3HG2 VAL 66 1.495 6.893 -10.662 570 H LYS 67 H LYS 67 2.059 11.161 -10.107 571 HA LYS 67 HA LYS 67 3.238 12.466 -7.825 572 1HB LYS 67 1HB LYS 67 3.267 13.142 -10.313 573 2HB LYS 67 2HB LYS 67 1.673 13.842 -10.027 574 1HG LYS 67 1HG LYS 67 2.861 15.011 -7.994 575 2HG LYS 67 2HG LYS 67 4.332 14.674 -8.906 576 1HD LYS 67 1HD LYS 67 2.900 15.691 -10.908 577 2HD LYS 67 2HD LYS 67 2.059 16.495 -9.581 578 1HE LYS 67 1HE LYS 67 5.080 16.522 -9.774 579 2HE LYS 67 2HE LYS 67 4.078 17.754 -10.568 580 1HZ LYS 67 1HZ LYS 67 4.052 17.030 -7.686 581 2HZ LYS 67 2HZ LYS 67 2.939 18.085 -8.419 582 3HZ LYS 67 3HZ LYS 67 4.587 18.494 -8.355 583 H SER 68 H SER 68 -0.159 12.341 -8.990 584 HA SER 68 HA SER 68 -1.281 14.218 -7.143 585 1HB SER 68 1HB SER 68 -2.424 11.695 -8.387 586 2HB SER 68 2HB SER 68 -3.395 12.886 -7.526 587 HG SER 68 HG SER 68 -3.325 13.230 -9.810 588 H LEU 69 H LEU 69 -0.544 10.724 -6.729 589 HA LEU 69 HA LEU 69 -1.839 10.362 -4.194 590 1HB LEU 69 1HB LEU 69 0.485 9.084 -5.623 591 2HB LEU 69 2HB LEU 69 0.128 8.612 -3.960 592 HG LEU 69 HG LEU 69 -2.154 8.730 -5.882 593 1HD1 LEU 69 1HD1 LEU 69 -0.133 7.537 -6.977 594 2HD1 LEU 69 2HD1 LEU 69 -1.663 6.663 -6.914 595 3HD1 LEU 69 3HD1 LEU 69 -0.386 6.289 -5.758 596 1HD2 LEU 69 1HD2 LEU 69 -1.912 8.010 -3.275 597 2HD2 LEU 69 2HD2 LEU 69 -1.653 6.446 -4.047 598 3HD2 LEU 69 3HD2 LEU 69 -3.142 7.340 -4.348 599 H SER 70 H SER 70 1.521 11.436 -4.945 600 HA SER 70 HA SER 70 2.392 11.708 -2.214 601 1HB SER 70 1HB SER 70 4.227 12.899 -3.144 602 2HB SER 70 2HB SER 70 3.711 11.848 -4.460 603 HG SER 70 HG SER 70 3.991 14.025 -5.131 604 H ASP 71 H ASP 71 0.767 14.043 -4.416 605 HA ASP 71 HA ASP 71 0.736 16.201 -2.451 606 1HB ASP 71 1HB ASP 71 0.495 16.358 -5.001 607 2HB ASP 71 2HB ASP 71 -1.170 15.818 -4.779 608 H MET 72 H MET 72 -1.313 13.364 -2.948 609 HA MET 72 HA MET 72 -3.524 14.495 -1.319 610 1HB MET 72 1HB MET 72 -3.905 12.920 -3.251 611 2HB MET 72 2HB MET 72 -3.031 11.673 -2.360 612 1HG MET 72 1HG MET 72 -4.694 11.987 -0.477 613 2HG MET 72 2HG MET 72 -5.628 13.013 -1.567 614 1HE MET 72 1HE MET 72 -3.506 9.775 -1.888 615 2HE MET 72 2HE MET 72 -4.748 8.528 -1.972 616 3HE MET 72 3HE MET 72 -4.582 9.499 -0.510 617 H THR 73 H THR 73 -0.949 12.007 -1.116 618 HA THR 73 HA THR 73 -1.417 11.091 1.545 619 HB THR 73 HB THR 73 0.922 11.306 -0.341 620 HG1 THR 73 HG1 THR 73 0.725 9.130 -0.297 621 1HG2 THR 73 1HG2 THR 73 1.151 10.902 2.595 622 2HG2 THR 73 2HG2 THR 73 2.306 11.588 1.452 623 3HG2 THR 73 3HG2 THR 73 2.100 9.839 1.554 624 H ALA 74 H ALA 74 0.313 14.026 0.363 625 HA ALA 74 HA ALA 74 1.372 14.871 2.908 626 1HB ALA 74 1HB ALA 74 0.485 16.384 0.429 627 2HB ALA 74 2HB ALA 74 2.128 15.918 0.866 628 3HB ALA 74 3HB ALA 74 1.292 17.168 1.787 629 H LYS 75 H LYS 75 -1.804 15.478 1.335 630 HA LYS 75 HA LYS 75 -2.757 17.105 3.609 631 1HB LYS 75 1HB LYS 75 -3.435 17.318 1.140 632 2HB LYS 75 2HB LYS 75 -4.394 15.857 1.381 633 1HG LYS 75 1HG LYS 75 -5.528 17.018 3.314 634 2HG LYS 75 2HG LYS 75 -4.692 18.497 2.837 635 1HD LYS 75 1HD LYS 75 -5.826 18.604 0.759 636 2HD LYS 75 2HD LYS 75 -6.362 16.926 0.872 637 1HE LYS 75 1HE LYS 75 -8.252 18.391 1.396 638 2HE LYS 75 2HE LYS 75 -7.738 17.586 2.893 639 1HZ LYS 75 1HZ LYS 75 -7.987 20.048 3.093 640 2HZ LYS 75 2HZ LYS 75 -6.696 20.220 2.003 641 3HZ LYS 75 3HZ LYS 75 -6.449 19.468 3.507 642 H GLU 76 H GLU 76 -3.113 13.721 2.470 643 HA GLU 76 HA GLU 76 -5.176 12.979 4.367 644 1HB GLU 76 1HB GLU 76 -4.287 11.794 2.213 645 2HB GLU 76 2HB GLU 76 -3.095 11.079 3.299 646 1HG GLU 76 1HG GLU 76 -4.800 9.500 3.418 647 2HG GLU 76 2HG GLU 76 -5.213 10.542 4.780 648 H LYS 77 H LYS 77 -1.758 13.600 4.868 649 HA LYS 77 HA LYS 77 -0.426 13.366 6.781 650 1HB LYS 77 1HB LYS 77 -2.645 14.322 7.697 651 2HB LYS 77 2HB LYS 77 -3.000 12.674 8.217 652 1HG LYS 77 1HG LYS 77 -1.404 12.699 9.858 653 2HG LYS 77 2HG LYS 77 -0.305 13.708 8.918 654 1HD LYS 77 1HD LYS 77 -2.840 14.997 9.776 655 2HD LYS 77 2HD LYS 77 -1.682 14.633 11.057 656 1HE LYS 77 1HE LYS 77 -0.786 16.661 10.439 657 2HE LYS 77 2HE LYS 77 -0.023 15.700 9.157 658 1HZ LYS 77 1HZ LYS 77 -1.338 17.638 8.333 659 2HZ LYS 77 2HZ LYS 77 -2.737 16.884 8.932 660 3HZ LYS 77 3HZ LYS 77 -1.832 16.145 7.700 661 H PHE 78 H PHE 78 -0.562 11.093 5.096 662 HA PHE 78 HA PHE 78 -1.303 8.641 6.373 663 1HB PHE 78 1HB PHE 78 0.497 9.487 4.165 664 2HB PHE 78 2HB PHE 78 0.872 7.920 4.877 665 HD1 PHE 78 HD1 PHE 78 -0.763 9.221 2.205 666 HD2 PHE 78 HD2 PHE 78 -1.600 6.714 5.597 667 HE1 PHE 78 HE1 PHE 78 -2.676 8.214 0.991 668 HE2 PHE 78 HE2 PHE 78 -3.514 5.718 4.381 669 HZ PHE 78 HZ PHE 78 -4.053 6.460 2.081 670 H SER 79 H SER 79 0.823 6.976 6.798 671 HA SER 79 HA SER 79 2.220 8.310 9.063 672 1HB SER 79 1HB SER 79 1.941 6.298 10.207 673 2HB SER 79 2HB SER 79 0.529 6.273 9.164 674 HG SER 79 HG SER 79 1.556 4.328 8.910 675 HA PRO 80 HA PRO 80 6.097 7.280 7.312 676 1HB PRO 80 1HB PRO 80 7.475 5.604 8.952 677 2HB PRO 80 2HB PRO 80 7.173 7.311 9.318 678 1HG PRO 80 1HG PRO 80 5.876 4.891 10.406 679 2HG PRO 80 2HG PRO 80 6.189 6.452 11.176 680 1HD PRO 80 1HD PRO 80 3.757 5.604 10.165 681 2HD PRO 80 2HD PRO 80 4.188 7.288 10.527 682 H LEU 81 H LEU 81 3.925 4.616 7.518 683 HA LEU 81 HA LEU 81 5.740 3.035 5.746 684 1HB LEU 81 1HB LEU 81 3.922 2.372 8.017 685 2HB LEU 81 2HB LEU 81 3.985 1.221 6.672 686 HG LEU 81 HG LEU 81 6.641 2.208 7.498 687 1HD1 LEU 81 1HD1 LEU 81 5.256 2.032 9.669 688 2HD1 LEU 81 2HD1 LEU 81 6.786 1.156 9.602 689 3HD1 LEU 81 3HD1 LEU 81 5.265 0.296 9.373 690 1HD2 LEU 81 1HD2 LEU 81 6.816 0.388 6.101 691 2HD2 LEU 81 2HD2 LEU 81 5.304 -0.325 6.664 692 3HD2 LEU 81 3HD2 LEU 81 6.767 -0.474 7.640 693 H THR 82 H THR 82 3.310 5.174 5.353 694 HA THR 82 HA THR 82 1.880 3.423 3.414 695 HB THR 82 HB THR 82 0.705 5.883 4.734 696 HG1 THR 82 HG1 THR 82 1.151 4.676 6.469 697 1HG2 THR 82 1HG2 THR 82 -1.203 3.911 4.342 698 2HG2 THR 82 2HG2 THR 82 -0.134 3.659 2.972 699 3HG2 THR 82 3HG2 THR 82 -0.881 5.232 3.225 700 H SER 83 H SER 83 4.175 5.875 3.362 701 HA SER 83 HA SER 83 2.946 7.088 0.919 702 1HB SER 83 1HB SER 83 3.526 8.619 2.829 703 2HB SER 83 2HB SER 83 5.201 8.088 2.711 704 HG SER 83 HG SER 83 5.368 9.047 0.750 705 H ASN 84 H ASN 84 4.140 4.499 0.927 706 HA ASN 84 HA ASN 84 6.363 4.922 -1.022 707 1HB ASN 84 1HB ASN 84 6.755 4.140 1.645 708 2HB ASN 84 2HB ASN 84 6.741 2.613 0.764 709 1HD2 ASN 84 1HD2 ASN 84 8.249 5.914 0.533 710 2HD2 ASN 84 2HD2 ASN 84 9.708 5.341 -0.117 711 H LEU 85 H LEU 85 4.577 2.315 0.717 712 HA LEU 85 HA LEU 85 4.198 0.593 -1.552 713 1HB LEU 85 1HB LEU 85 3.813 -0.179 0.738 714 2HB LEU 85 2HB LEU 85 2.592 1.062 1.001 715 HG LEU 85 HG LEU 85 1.167 0.009 -0.738 716 1HD1 LEU 85 1HD1 LEU 85 3.557 -1.807 -0.925 717 2HD1 LEU 85 2HD1 LEU 85 2.602 -1.091 -2.223 718 3HD1 LEU 85 3HD1 LEU 85 1.952 -2.439 -1.291 719 1HD2 LEU 85 1HD2 LEU 85 1.033 -0.644 1.694 720 2HD2 LEU 85 2HD2 LEU 85 2.088 -2.009 1.331 721 3HD2 LEU 85 3HD2 LEU 85 0.492 -1.906 0.588 722 H ILE 86 H ILE 86 2.534 3.602 -0.493 723 HA ILE 86 HA ILE 86 0.157 3.302 -2.068 724 HB ILE 86 HB ILE 86 0.594 5.024 -0.273 725 1HG1 ILE 86 1HG1 ILE 86 -0.110 6.667 -2.641 726 2HG1 ILE 86 2HG1 ILE 86 -1.050 5.189 -2.431 727 1HG2 ILE 86 1HG2 ILE 86 2.896 5.628 -1.149 728 2HG2 ILE 86 2HG2 ILE 86 1.868 7.006 -0.758 729 3HG2 ILE 86 3HG2 ILE 86 2.092 6.523 -2.440 730 1HD1 ILE 86 1HD1 ILE 86 -1.978 5.897 -0.439 731 2HD1 ILE 86 2HD1 ILE 86 -1.758 7.459 -1.230 732 3HD1 ILE 86 3HD1 ILE 86 -0.589 6.905 -0.029 733 H ASN 87 H ASN 87 3.423 4.504 -2.935 734 HA ASN 87 HA ASN 87 2.679 5.381 -5.608 735 1HB ASN 87 1HB ASN 87 5.325 4.467 -4.408 736 2HB ASN 87 2HB ASN 87 5.167 5.240 -5.986 737 1HD2 ASN 87 1HD2 ASN 87 3.535 7.389 -5.661 738 2HD2 ASN 87 2HD2 ASN 87 4.072 8.406 -4.412 739 H LEU 88 H LEU 88 4.155 2.343 -4.350 740 HA LEU 88 HA LEU 88 4.419 0.893 -6.765 741 1HB LEU 88 1HB LEU 88 3.991 0.245 -3.891 742 2HB LEU 88 2HB LEU 88 3.624 -1.051 -5.027 743 HG LEU 88 HG LEU 88 6.187 0.483 -5.331 744 1HD1 LEU 88 1HD1 LEU 88 5.513 -1.575 -3.239 745 2HD1 LEU 88 2HD1 LEU 88 6.456 -0.094 -3.073 746 3HD1 LEU 88 3HD1 LEU 88 7.146 -1.490 -3.901 747 1HD2 LEU 88 1HD2 LEU 88 5.662 -2.466 -5.708 748 2HD2 LEU 88 2HD2 LEU 88 6.894 -1.462 -6.474 749 3HD2 LEU 88 3HD2 LEU 88 5.204 -1.298 -6.948 750 H LEU 89 H LEU 89 1.484 1.274 -4.708 751 HA LEU 89 HA LEU 89 -0.227 -0.481 -6.217 752 1HB LEU 89 1HB LEU 89 -0.771 2.038 -4.608 753 2HB LEU 89 2HB LEU 89 -2.053 0.999 -5.234 754 HG LEU 89 HG LEU 89 0.203 0.011 -3.468 755 1HD1 LEU 89 1HD1 LEU 89 -1.068 0.413 -1.600 756 2HD1 LEU 89 2HD1 LEU 89 -2.591 0.178 -2.456 757 3HD1 LEU 89 3HD1 LEU 89 -1.725 1.707 -2.601 758 1HD2 LEU 89 1HD2 LEU 89 -0.714 -1.767 -4.777 759 2HD2 LEU 89 2HD2 LEU 89 -2.362 -1.186 -4.541 760 3HD2 LEU 89 3HD2 LEU 89 -1.476 -1.896 -3.191 761 H ALA 90 H ALA 90 0.648 2.964 -6.715 762 HA ALA 90 HA ALA 90 -0.935 2.923 -9.256 763 1HB ALA 90 1HB ALA 90 0.268 5.452 -8.358 764 2HB ALA 90 2HB ALA 90 -0.796 4.725 -7.154 765 3HB ALA 90 3HB ALA 90 -1.411 5.095 -8.765 766 H GLU 91 H GLU 91 1.857 1.671 -8.840 767 HA GLU 91 HA GLU 91 3.488 3.498 -10.568 768 1HB GLU 91 1HB GLU 91 4.119 2.140 -8.295 769 2HB GLU 91 2HB GLU 91 4.603 0.957 -9.506 770 1HG GLU 91 1HG GLU 91 6.503 2.394 -9.027 771 2HG GLU 91 2HG GLU 91 5.922 2.750 -10.653 772 H ASN 92 H ASN 92 2.545 0.001 -10.376 773 HA ASN 92 HA ASN 92 3.082 -0.157 -13.327 774 1HB ASN 92 1HB ASN 92 3.150 -2.210 -11.097 775 2HB ASN 92 2HB ASN 92 3.375 -2.606 -12.801 776 1HD2 ASN 92 1HD2 ASN 92 5.659 -3.260 -12.410 777 2HD2 ASN 92 2HD2 ASN 92 6.845 -2.084 -12.111 778 H GLY 93 H GLY 93 0.448 0.705 -12.002 779 1HA GLY 93 1HA GLY 93 -1.791 0.364 -12.646 780 2HA GLY 93 2HA GLY 93 -1.276 -1.045 -13.576 781 H ARG 94 H ARG 94 -0.865 -0.296 -10.075 782 HA ARG 94 HA ARG 94 -2.090 -2.967 -9.521 783 1HB ARG 94 1HB ARG 94 -0.136 -1.161 -8.094 784 2HB ARG 94 2HB ARG 94 -0.937 -2.482 -7.242 785 1HG ARG 94 1HG ARG 94 0.381 -3.036 -9.879 786 2HG ARG 94 2HG ARG 94 1.381 -2.894 -8.433 787 1HD ARG 94 1HD ARG 94 0.888 -5.089 -8.069 788 2HD ARG 94 2HD ARG 94 -0.733 -4.531 -7.611 789 HE ARG 94 HE ARG 94 -1.506 -5.035 -9.844 790 1HH1 ARG 94 1HH2 ARG 94 0.589 -7.268 -9.028 791 2HH1 ARG 94 2HH2 ARG 94 1.337 -7.515 -10.570 792 1HH2 ARG 94 1HH1 ARG 94 -0.004 -4.643 -11.977 793 2HH2 ARG 94 2HH1 ARG 94 1.001 -6.029 -12.240 794 H LEU 95 H LEU 95 -3.775 -0.555 -10.076 795 HA LEU 95 HA LEU 95 -4.952 -0.100 -7.351 796 1HB LEU 95 1HB LEU 95 -4.935 1.420 -9.970 797 2HB LEU 95 2HB LEU 95 -6.112 1.801 -8.715 798 HG LEU 95 HG LEU 95 -3.121 1.724 -8.242 799 1HD1 LEU 95 1HD1 LEU 95 -4.966 3.939 -9.097 800 2HD1 LEU 95 2HD1 LEU 95 -3.346 3.558 -9.681 801 3HD1 LEU 95 3HD1 LEU 95 -3.562 4.301 -8.096 802 1HD2 LEU 95 1HD2 LEU 95 -5.503 2.687 -6.634 803 2HD2 LEU 95 2HD2 LEU 95 -3.837 3.098 -6.227 804 3HD2 LEU 95 3HD2 LEU 95 -4.361 1.415 -6.199 805 H THR 96 H THR 96 -5.363 -2.557 -9.013 806 HA THR 96 HA THR 96 -8.299 -2.307 -9.569 807 HB THR 96 HB THR 96 -7.895 -4.273 -11.048 808 HG1 THR 96 HG1 THR 96 -5.833 -5.048 -11.280 809 1HG2 THR 96 1HG2 THR 96 -7.719 -2.192 -12.173 810 2HG2 THR 96 2HG2 THR 96 -6.270 -3.081 -12.645 811 3HG2 THR 96 3HG2 THR 96 -6.171 -1.823 -11.413 812 H ASN 97 H ASN 97 -5.788 -4.648 -8.417 813 HA ASN 97 HA ASN 97 -7.842 -5.875 -6.629 814 1HB ASN 97 1HB ASN 97 -5.075 -6.742 -7.548 815 2HB ASN 97 2HB ASN 97 -6.124 -7.695 -6.494 816 1HD2 ASN 97 1HD2 ASN 97 -5.478 -6.859 -9.830 817 2HD2 ASN 97 2HD2 ASN 97 -6.783 -7.713 -10.499 818 H THR 98 H THR 98 -6.517 -3.191 -6.034 819 HA THR 98 HA THR 98 -4.395 -3.550 -4.169 820 HB THR 98 HB THR 98 -5.128 -1.401 -5.248 821 HG1 THR 98 HG1 THR 98 -4.438 -0.219 -3.524 822 1HG2 THR 98 1HG2 THR 98 -6.859 -0.090 -3.982 823 2HG2 THR 98 2HG2 THR 98 -7.274 -1.570 -3.119 824 3HG2 THR 98 3HG2 THR 98 -7.512 -1.471 -4.863 825 HA PRO 99 HA PRO 99 -7.769 -3.712 -0.690 826 1HB PRO 99 1HB PRO 99 -9.938 -5.292 -1.280 827 2HB PRO 99 2HB PRO 99 -9.947 -3.522 -1.431 828 1HG PRO 99 1HG PRO 99 -9.497 -5.592 -3.539 829 2HG PRO 99 2HG PRO 99 -10.516 -4.141 -3.589 830 1HD PRO 99 1HD PRO 99 -8.142 -4.153 -4.744 831 2HD PRO 99 2HD PRO 99 -8.712 -2.722 -3.880 832 H ALA 100 H ALA 100 -7.361 -6.400 -3.041 833 HA ALA 100 HA ALA 100 -7.379 -8.585 -1.195 834 1HB ALA 100 1HB ALA 100 -6.212 -9.791 -2.931 835 2HB ALA 100 2HB ALA 100 -5.539 -8.301 -3.593 836 3HB ALA 100 3HB ALA 100 -7.264 -8.635 -3.748 837 H VAL 101 H VAL 101 -4.729 -6.322 -2.067 838 HA VAL 101 HA VAL 101 -2.660 -7.693 -0.566 839 HB VAL 101 HB VAL 101 -2.956 -4.746 -1.273 840 1HG1 VAL 101 1HG1 VAL 101 -0.632 -6.441 -0.346 841 2HG1 VAL 101 2HG1 VAL 101 -1.203 -4.909 0.318 842 3HG1 VAL 101 3HG1 VAL 101 -0.384 -4.944 -1.244 843 1HG2 VAL 101 1HG2 VAL 101 -1.973 -7.163 -2.777 844 2HG2 VAL 101 2HG2 VAL 101 -1.299 -5.571 -3.128 845 3HG2 VAL 101 3HG2 VAL 101 -3.026 -5.863 -3.336 846 H ILE 102 H ILE 102 -4.989 -5.099 0.312 847 HA ILE 102 HA ILE 102 -3.915 -4.638 2.965 848 HB ILE 102 HB ILE 102 -6.732 -4.275 1.864 849 1HG1 ILE 102 1HG1 ILE 102 -4.874 -1.986 2.250 850 2HG1 ILE 102 2HG1 ILE 102 -4.469 -3.090 0.936 851 1HG2 ILE 102 1HG2 ILE 102 -6.505 -4.252 4.386 852 2HG2 ILE 102 2HG2 ILE 102 -7.093 -2.741 3.692 853 3HG2 ILE 102 3HG2 ILE 102 -5.412 -2.879 4.209 854 1HD1 ILE 102 1HD1 ILE 102 -6.263 -2.461 -0.313 855 2HD1 ILE 102 2HD1 ILE 102 -6.241 -1.022 0.704 856 3HD1 ILE 102 3HD1 ILE 102 -7.328 -2.356 1.089 857 H SER 103 H SER 103 -6.440 -6.887 1.727 858 HA SER 103 HA SER 103 -7.312 -7.873 4.291 859 1HB SER 103 1HB SER 103 -7.300 -8.904 1.465 860 2HB SER 103 2HB SER 103 -7.748 -10.006 2.762 861 HG SER 103 HG SER 103 -9.592 -8.969 2.066 862 H ALA 104 H ALA 104 -4.755 -9.114 2.064 863 HA ALA 104 HA ALA 104 -3.889 -11.317 3.667 864 1HB ALA 104 1HB ALA 104 -3.145 -10.790 1.332 865 2HB ALA 104 2HB ALA 104 -1.786 -11.113 2.408 866 3HB ALA 104 3HB ALA 104 -2.187 -9.453 1.968 867 H PHE 105 H PHE 105 -3.138 -7.829 3.959 868 HA PHE 105 HA PHE 105 -0.959 -7.945 5.792 869 1HB PHE 105 1HB PHE 105 -2.103 -5.935 4.618 870 2HB PHE 105 2HB PHE 105 -3.236 -5.954 5.968 871 HD1 PHE 105 HD1 PHE 105 -0.241 -4.569 4.808 872 HD2 PHE 105 HD2 PHE 105 -2.021 -6.147 8.380 873 HE1 PHE 105 HE1 PHE 105 1.382 -3.302 6.181 874 HE2 PHE 105 HE2 PHE 105 -0.401 -4.882 9.745 875 HZ PHE 105 HZ PHE 105 1.297 -3.465 8.648 876 H SER 106 H SER 106 -4.500 -8.033 6.443 877 HA SER 106 HA SER 106 -4.224 -8.118 9.330 878 1HB SER 106 1HB SER 106 -6.389 -8.896 7.367 879 2HB SER 106 2HB SER 106 -6.603 -9.154 9.096 880 HG SER 106 HG SER 106 -6.174 -6.731 7.694 881 H THR 107 H THR 107 -4.437 -10.702 6.843 882 HA THR 107 HA THR 107 -4.417 -12.861 8.816 883 HB THR 107 HB THR 107 -3.574 -12.978 5.899 884 HG1 THR 107 HG1 THR 107 -5.723 -13.174 5.418 885 1HG2 THR 107 1HG2 THR 107 -4.062 -15.261 6.013 886 2HG2 THR 107 2HG2 THR 107 -5.101 -15.068 7.425 887 3HG2 THR 107 3HG2 THR 107 -3.349 -14.958 7.597 888 H MET 108 H MET 108 -1.872 -11.149 6.939 889 HA MET 108 HA MET 108 0.253 -12.953 7.818 890 1HB MET 108 1HB MET 108 0.270 -10.105 6.758 891 2HB MET 108 2HB MET 108 1.713 -11.090 6.992 892 1HG MET 108 1HG MET 108 -0.625 -11.895 5.240 893 2HG MET 108 2HG MET 108 0.849 -11.141 4.634 894 1HE MET 108 1HE MET 108 2.942 -13.164 3.693 895 2HE MET 108 2HE MET 108 1.420 -12.448 3.172 896 3HE MET 108 3HE MET 108 1.617 -14.198 3.144 897 H MET 109 H MET 109 -1.169 -9.907 9.079 898 HA MET 109 HA MET 109 0.801 -9.309 11.068 899 1HB MET 109 1HB MET 109 -1.136 -7.858 10.438 900 2HB MET 109 2HB MET 109 -2.229 -9.000 11.223 901 1HG MET 109 1HG MET 109 -1.220 -8.590 13.379 902 2HG MET 109 2HG MET 109 0.062 -7.623 12.650 903 1HE MET 109 1HE MET 109 -3.082 -5.813 14.771 904 2HE MET 109 2HE MET 109 -1.411 -6.307 15.032 905 3HE MET 109 3HE MET 109 -2.649 -7.528 14.749 906 H SER 110 H SER 110 -1.953 -11.649 11.155 907 HA SER 110 HA SER 110 -1.805 -12.321 13.934 908 1HB SER 110 1HB SER 110 -2.391 -14.067 11.514 909 2HB SER 110 2HB SER 110 -2.731 -14.536 13.178 910 HG SER 110 HG SER 110 -4.569 -13.612 12.300 911 H VAL 111 H VAL 111 0.346 -13.309 11.259 912 HA VAL 111 HA VAL 111 1.732 -15.316 12.906 913 HB VAL 111 HB VAL 111 2.512 -13.994 10.281 914 1HG1 VAL 111 1HG1 VAL 111 3.888 -16.045 9.987 915 2HG1 VAL 111 2HG1 VAL 111 3.442 -16.557 11.615 916 3HG1 VAL 111 3HG1 VAL 111 4.406 -15.098 11.383 917 1HG2 VAL 111 1HG2 VAL 111 0.426 -15.069 9.908 918 2HG2 VAL 111 2HG2 VAL 111 0.840 -16.418 10.966 919 3HG2 VAL 111 3HG2 VAL 111 1.628 -16.254 9.397 920 H HIS 112 H HIS 112 1.904 -11.849 12.811 921 HA HIS 112 HA HIS 112 4.758 -11.784 13.534 922 1HB HIS 112 1HB HIS 112 4.615 -9.630 12.793 923 2HB HIS 112 2HB HIS 112 3.073 -10.131 12.122 924 HD1 HIS 112 HD1 HIS 112 1.021 -9.861 14.122 925 HD2 HIS 112 HD2 HIS 112 4.343 -7.420 14.281 926 HE1 HIS 112 HE1 HIS 112 0.374 -7.900 15.570 927 H ARG 113 H ARG 113 1.600 -11.842 15.151 928 HA ARG 113 HA ARG 113 2.837 -10.885 17.688 929 1HB ARG 113 1HB ARG 113 0.597 -10.084 16.830 930 2HB ARG 113 2HB ARG 113 -0.023 -11.713 17.104 931 1HG ARG 113 1HG ARG 113 0.044 -11.504 19.397 932 2HG ARG 113 2HG ARG 113 1.424 -10.405 19.362 933 1HD ARG 113 1HD ARG 113 0.092 -8.528 18.960 934 2HD ARG 113 2HD ARG 113 -1.215 -9.488 18.239 935 HE ARG 113 HE ARG 113 -2.031 -9.920 20.418 936 1HH1 ARG 113 1HH1 ARG 113 -0.104 -7.402 20.879 937 2HH1 ARG 113 2HH1 ARG 113 0.550 -7.862 22.416 938 1HH2 ARG 113 1HH2 ARG 113 -0.623 -11.121 22.237 939 2HH2 ARG 113 2HH2 ARG 113 0.256 -9.967 23.184 940 H GLY 114 H GLY 114 1.748 -13.927 16.173 941 1HA GLY 114 1HA GLY 114 1.282 -15.509 18.451 942 2HA GLY 114 2HA GLY 114 1.931 -16.128 16.934 943 H GLU 115 H GLU 115 4.455 -15.184 16.717 944 HA GLU 115 HA GLU 115 5.819 -15.495 19.346 945 1HB GLU 115 1HB GLU 115 5.290 -17.684 17.869 946 2HB GLU 115 2HB GLU 115 6.791 -17.184 17.089 947 1HG GLU 115 1HG GLU 115 6.586 -17.353 20.093 948 2HG GLU 115 2HG GLU 115 6.968 -18.777 19.125 949 H VAL 116 H VAL 116 6.435 -13.192 18.834 950 HA VAL 116 HA VAL 116 8.802 -13.114 17.017 951 HB VAL 116 HB VAL 116 6.465 -11.172 17.008 952 1HG1 VAL 116 1HG1 VAL 116 7.844 -10.532 14.813 953 2HG1 VAL 116 2HG1 VAL 116 9.185 -11.160 15.771 954 3HG1 VAL 116 3HG1 VAL 116 8.223 -9.812 16.377 955 1HG2 VAL 116 1HG2 VAL 116 7.280 -13.470 15.253 956 2HG2 VAL 116 2HG2 VAL 116 6.476 -12.079 14.525 957 3HG2 VAL 116 3HG2 VAL 116 5.669 -12.999 15.795 958 HA PRO 117 HA PRO 117 9.669 -11.036 21.014 959 1HB PRO 117 1HB PRO 117 12.328 -11.675 21.080 960 2HB PRO 117 2HB PRO 117 11.057 -12.772 21.654 961 1HG PRO 117 1HG PRO 117 12.551 -12.788 19.082 962 2HG PRO 117 2HG PRO 117 12.021 -14.144 20.089 963 1HD PRO 117 1HD PRO 117 10.735 -13.358 17.814 964 2HD PRO 117 2HD PRO 117 9.930 -14.181 19.168 965 H CYS 118 H CYS 118 10.922 -9.032 21.398 966 HA CYS 118 HA CYS 118 11.997 -7.819 18.869 967 1HB CYS 118 1HB CYS 118 9.823 -6.952 19.833 968 2HB CYS 118 2HB CYS 118 10.727 -6.460 21.266 969 HG CYS 118 HG CYS 118 10.658 -4.430 19.589 970 H THR 119 H THR 119 13.910 -6.432 19.126 971 HA THR 119 HA THR 119 15.247 -6.531 21.796 972 HB THR 119 HB THR 119 16.832 -7.097 19.319 973 HG1 THR 119 HG1 THR 119 15.355 -8.619 18.967 974 1HG2 THR 119 1HG2 THR 119 17.689 -8.807 21.212 975 2HG2 THR 119 2HG2 THR 119 16.973 -7.575 22.251 976 3HG2 THR 119 3HG2 THR 119 18.252 -7.137 21.118 977 H VAL 120 H VAL 120 17.408 -5.106 21.576 978 HA VAL 120 HA VAL 120 16.700 -2.670 19.969 979 HB VAL 120 HB VAL 120 18.212 -2.987 22.588 980 1HG1 VAL 120 1HG1 VAL 120 17.601 -0.647 20.808 981 2HG1 VAL 120 2HG1 VAL 120 19.079 -1.016 21.696 982 3HG1 VAL 120 3HG1 VAL 120 17.665 -0.405 22.554 983 1HG2 VAL 120 1HG2 VAL 120 16.237 -2.043 23.633 984 2HG2 VAL 120 2HG2 VAL 120 15.728 -3.425 22.665 985 3HG2 VAL 120 3HG2 VAL 120 15.474 -1.787 22.064 986 1H GLN 1 1H GLN 1 17.438 2.618 -14.228 987 2H GLN 1 2H GLN 1 18.778 1.753 -13.641 988 3H GLN 1 3H GLN 1 17.950 2.833 -12.625 989 HA GLN 1 HA GLN 1 17.373 0.508 -12.127 990 1HB GLN 1 1HB GLN 1 15.878 2.479 -11.774 991 2HB GLN 1 2HB GLN 1 15.194 2.212 -13.378 992 1HG GLN 1 1HG GLN 1 14.140 0.227 -12.749 993 2HG GLN 1 2HG GLN 1 15.242 -0.046 -11.399 994 1HE2 GLN 1 1HE2 GLN 1 14.562 0.709 -9.329 995 2HE2 GLN 1 2HE2 GLN 1 13.204 1.700 -9.095 996 H LYS 2 H LYS 2 16.895 -1.550 -12.990 997 HA LYS 2 HA LYS 2 16.084 -1.669 -15.876 998 1HB LYS 2 1HB LYS 2 18.304 -3.045 -14.360 999 2HB LYS 2 2HB LYS 2 17.662 -3.734 -15.851 1000 1HG LYS 2 1HG LYS 2 18.408 -1.948 -17.157 1001 2HG LYS 2 2HG LYS 2 18.470 -0.841 -15.785 1002 1HD LYS 2 1HD LYS 2 20.458 -1.822 -14.940 1003 2HD LYS 2 2HD LYS 2 20.283 -3.250 -15.961 1004 1HE LYS 2 1HE LYS 2 21.947 -1.956 -17.066 1005 2HE LYS 2 2HE LYS 2 20.460 -1.566 -17.951 1006 1HZ LYS 2 1HZ LYS 2 21.748 0.417 -17.193 1007 2HZ LYS 2 2HZ LYS 2 21.415 -0.039 -15.591 1008 3HZ LYS 2 3HZ LYS 2 20.145 0.375 -16.642 1009 H THR 3 H THR 3 14.196 -2.884 -16.081 1010 HA THR 3 HA THR 3 12.467 -4.393 -15.535 1011 HB THR 3 HB THR 3 14.843 -5.888 -14.376 1012 HG1 THR 3 HG1 THR 3 15.334 -5.435 -16.450 1013 1HG2 THR 3 1HG2 THR 3 12.188 -6.852 -15.478 1014 2HG2 THR 3 2HG2 THR 3 12.662 -6.862 -13.779 1015 3HG2 THR 3 3HG2 THR 3 13.508 -7.888 -14.936 1016 H GLY 4 H GLY 4 11.316 -3.132 -13.914 1017 1HA GLY 4 1HA GLY 4 12.107 -3.711 -11.087 1018 2HA GLY 4 2HA GLY 4 11.222 -2.270 -11.593 1019 H THR 5 H THR 5 10.852 -5.864 -11.834 1020 HA THR 5 HA THR 5 8.030 -5.518 -10.909 1021 HB THR 5 HB THR 5 7.647 -7.352 -12.797 1022 HG1 THR 5 HG1 THR 5 9.720 -7.551 -13.500 1023 1HG2 THR 5 1HG2 THR 5 6.388 -5.427 -13.058 1024 2HG2 THR 5 2HG2 THR 5 7.471 -5.280 -14.442 1025 3HG2 THR 5 3HG2 THR 5 7.796 -4.369 -12.967 1026 H ALA 6 H ALA 6 10.111 -6.464 -9.241 1027 HA ALA 6 HA ALA 6 9.312 -9.321 -8.925 1028 1HB ALA 6 1HB ALA 6 11.301 -9.846 -9.912 1029 2HB ALA 6 2HB ALA 6 12.013 -9.356 -8.375 1030 3HB ALA 6 3HB ALA 6 11.929 -8.210 -9.713 1031 H GLU 7 H GLU 7 8.100 -8.170 -7.063 1032 HA GLU 7 HA GLU 7 7.927 -7.622 -4.776 1033 1HB GLU 7 1HB GLU 7 9.595 -9.781 -5.064 1034 2HB GLU 7 2HB GLU 7 10.637 -8.662 -4.184 1035 1HG GLU 7 1HG GLU 7 8.849 -8.355 -2.490 1036 2HG GLU 7 2HG GLU 7 7.851 -9.525 -3.353 1037 H VAL 8 H VAL 8 8.729 -5.467 -6.327 1038 HA VAL 8 HA VAL 8 11.229 -4.242 -5.645 1039 HB VAL 8 HB VAL 8 8.534 -2.957 -6.236 1040 1HG1 VAL 8 1HG1 VAL 8 9.734 -1.107 -5.589 1041 2HG1 VAL 8 2HG1 VAL 8 10.367 -1.241 -7.231 1042 3HG1 VAL 8 3HG1 VAL 8 11.288 -1.889 -5.873 1043 1HG2 VAL 8 1HG2 VAL 8 9.958 -2.750 -8.522 1044 2HG2 VAL 8 2HG2 VAL 8 8.916 -4.130 -8.177 1045 3HG2 VAL 8 3HG2 VAL 8 10.653 -4.243 -7.888 1046 H SER 9 H SER 9 8.057 -4.111 -3.959 1047 HA SER 9 HA SER 9 8.798 -2.214 -1.934 1048 1HB SER 9 1HB SER 9 6.520 -2.720 -1.949 1049 2HB SER 9 2HB SER 9 6.802 -4.441 -2.197 1050 HG SER 9 HG SER 9 7.102 -2.913 0.171 1051 H SER 10 H SER 10 9.392 -5.740 -2.174 1052 HA SER 10 HA SER 10 10.368 -6.089 0.531 1053 1HB SER 10 1HB SER 10 9.776 -8.030 -0.751 1054 2HB SER 10 2HB SER 10 10.803 -7.540 -2.097 1055 HG SER 10 HG SER 10 11.794 -9.156 -0.828 1056 H ILE 11 H ILE 11 12.195 -5.712 -2.573 1057 HA ILE 11 HA ILE 11 14.765 -5.439 -1.297 1058 HB ILE 11 HB ILE 11 14.380 -5.935 -3.721 1059 1HG1 ILE 11 1HG1 ILE 11 15.976 -3.392 -3.589 1060 2HG1 ILE 11 2HG1 ILE 11 16.509 -4.808 -2.680 1061 1HG2 ILE 11 1HG2 ILE 11 12.574 -4.393 -4.215 1062 2HG2 ILE 11 2HG2 ILE 11 13.950 -3.986 -5.237 1063 3HG2 ILE 11 3HG2 ILE 11 13.590 -3.011 -3.814 1064 1HD1 ILE 11 1HD1 ILE 11 15.721 -5.288 -5.506 1065 2HD1 ILE 11 2HD1 ILE 11 17.040 -5.991 -4.569 1066 3HD1 ILE 11 3HD1 ILE 11 17.210 -4.375 -5.256 1067 H LEU 12 H LEU 12 12.237 -3.014 -2.062 1068 HA LEU 12 HA LEU 12 13.864 -0.694 -1.419 1069 1HB LEU 12 1HB LEU 12 11.470 -1.017 -2.575 1070 2HB LEU 12 2HB LEU 12 10.905 -0.728 -0.930 1071 HG LEU 12 HG LEU 12 12.974 1.096 -2.111 1072 1HD1 LEU 12 1HD1 LEU 12 11.473 2.289 -3.392 1073 2HD1 LEU 12 2HD1 LEU 12 10.092 1.814 -2.402 1074 3HD1 LEU 12 3HD1 LEU 12 10.768 0.683 -3.576 1075 1HD2 LEU 12 1HD2 LEU 12 12.547 1.529 0.171 1076 2HD2 LEU 12 2HD2 LEU 12 10.820 1.221 -0.004 1077 3HD2 LEU 12 3HD2 LEU 12 11.522 2.696 -0.665 1078 H GLU 13 H GLU 13 11.731 -2.825 0.543 1079 HA GLU 13 HA GLU 13 11.759 -1.292 2.963 1080 1HB GLU 13 1HB GLU 13 10.374 -3.348 2.428 1081 2HB GLU 13 2HB GLU 13 11.816 -4.320 2.721 1082 1HG GLU 13 1HG GLU 13 10.493 -4.258 4.760 1083 2HG GLU 13 2HG GLU 13 11.964 -3.317 5.011 1084 H GLU 14 H GLU 14 14.147 -3.660 1.689 1085 HA GLU 14 HA GLU 14 15.805 -3.865 4.010 1086 1HB GLU 14 1HB GLU 14 15.997 -5.229 1.919 1087 2HB GLU 14 2HB GLU 14 16.657 -3.818 1.091 1088 1HG GLU 14 1HG GLU 14 18.468 -3.741 2.854 1089 2HG GLU 14 2HG GLU 14 17.868 -5.291 3.444 1090 H ARG 15 H ARG 15 15.760 -1.369 1.429 1091 HA ARG 15 HA ARG 15 18.131 0.046 2.166 1092 1HB ARG 15 1HB ARG 15 15.493 0.883 0.942 1093 2HB ARG 15 2HB ARG 15 16.803 2.039 1.179 1094 1HG ARG 15 1HG ARG 15 17.452 -0.562 -0.144 1095 2HG ARG 15 2HG ARG 15 16.588 0.654 -1.085 1096 1HD ARG 15 1HD ARG 15 18.909 1.661 0.477 1097 2HD ARG 15 2HD ARG 15 19.293 0.613 -0.903 1098 HE ARG 15 HE ARG 15 17.584 3.066 -1.121 1099 1HH1 ARG 15 1HH1 ARG 15 20.422 3.236 -2.026 1100 2HH1 ARG 15 2HH1 ARG 15 20.294 2.884 -3.716 1101 1HH2 ARG 15 1HH2 ARG 15 17.117 1.517 -3.461 1102 2HH2 ARG 15 2HH2 ARG 15 18.423 1.910 -4.529 1103 H ILE 16 H ILE 16 14.842 0.190 3.591 1104 HA ILE 16 HA ILE 16 15.593 2.441 5.360 1105 HB ILE 16 HB ILE 16 13.149 0.631 5.327 1106 1HG1 ILE 16 1HG1 ILE 16 13.405 3.423 4.188 1107 2HG1 ILE 16 2HG1 ILE 16 13.673 1.980 3.209 1108 1HG2 ILE 16 1HG2 ILE 16 13.640 1.965 7.441 1109 2HG2 ILE 16 2HG2 ILE 16 12.085 2.299 6.678 1110 3HG2 ILE 16 3HG2 ILE 16 13.430 3.421 6.468 1111 1HD1 ILE 16 1HD1 ILE 16 11.422 2.190 2.829 1112 2HD1 ILE 16 2HD1 ILE 16 11.143 3.057 4.339 1113 3HD1 ILE 16 3HD1 ILE 16 11.323 1.303 4.349 1114 H LEU 17 H LEU 17 15.004 -1.097 5.703 1115 HA LEU 17 HA LEU 17 16.176 -0.910 8.463 1116 1HB LEU 17 1HB LEU 17 13.872 -2.289 7.237 1117 2HB LEU 17 2HB LEU 17 14.846 -3.319 8.287 1118 HG LEU 17 HG LEU 17 14.725 -1.198 9.891 1119 1HD1 LEU 17 1HD1 LEU 17 13.477 0.390 8.784 1120 2HD1 LEU 17 2HD1 LEU 17 12.158 -0.493 9.552 1121 3HD1 LEU 17 3HD1 LEU 17 12.568 -0.811 7.867 1122 1HD2 LEU 17 1HD2 LEU 17 13.646 -3.673 9.918 1123 2HD2 LEU 17 2HD2 LEU 17 12.166 -2.720 9.805 1124 3HD2 LEU 17 3HD2 LEU 17 13.278 -2.466 11.150 1125 H GLY 18 H GLY 18 18.409 -1.234 7.742 1126 1HA GLY 18 1HA GLY 18 18.903 -3.918 6.508 1127 2HA GLY 18 2HA GLY 18 19.943 -2.519 6.235 1128 H ALA 19 H ALA 19 20.603 -1.486 8.591 1129 HA ALA 19 HA ALA 19 21.326 -3.734 10.428 1130 1HB ALA 19 1HB ALA 19 23.201 -3.452 8.931 1131 2HB ALA 19 2HB ALA 19 23.646 -2.697 10.462 1132 3HB ALA 19 3HB ALA 19 23.139 -1.698 9.100 1133 H ASP 20 H ASP 20 20.144 -2.993 12.248 1134 HA ASP 20 HA ASP 20 20.603 -0.142 13.071 1135 1HB ASP 20 1HB ASP 20 18.281 -2.048 13.185 1136 2HB ASP 20 2HB ASP 20 18.386 -0.751 14.376 1137 H THR 21 H THR 21 22.666 -1.067 14.136 1138 HA THR 21 HA THR 21 21.972 -2.321 16.775 1139 HB THR 21 HB THR 21 24.273 -3.396 16.503 1140 HG1 THR 21 HG1 THR 21 25.124 -2.111 14.917 1141 1HG2 THR 21 1HG2 THR 21 23.437 -5.112 14.912 1142 2HG2 THR 21 2HG2 THR 21 22.118 -4.029 14.469 1143 3HG2 THR 21 3HG2 THR 21 22.222 -4.666 16.110 1144 H SER 22 H SER 22 21.932 0.000 17.585 1145 HA SER 22 HA SER 22 24.694 1.160 17.807 1146 1HB SER 22 1HB SER 22 22.994 2.468 16.534 1147 2HB SER 22 2HB SER 22 21.963 2.480 17.962 1148 HG SER 22 HG SER 22 23.284 4.372 17.744 1149 H VAL 23 H VAL 23 25.537 1.138 19.897 1150 HA VAL 23 HA VAL 23 23.597 0.804 22.165 1151 HB VAL 23 HB VAL 23 26.498 -0.048 21.849 1152 1HG1 VAL 23 1HG1 VAL 23 24.552 -0.105 24.123 1153 2HG1 VAL 23 2HG1 VAL 23 26.296 0.159 24.148 1154 3HG1 VAL 23 3HG1 VAL 23 25.653 -1.470 23.937 1155 1HG2 VAL 23 1HG2 VAL 23 25.562 -2.330 21.767 1156 2HG2 VAL 23 2HG2 VAL 23 24.913 -1.346 20.455 1157 3HG2 VAL 23 3HG2 VAL 23 23.931 -1.670 21.882 1158 H ASP 24 H ASP 24 26.924 2.103 21.523 1159 HA ASP 24 HA ASP 24 26.205 4.446 23.251 1160 1HB ASP 24 1HB ASP 24 28.497 4.255 24.203 1161 2HB ASP 24 2HB ASP 24 27.544 2.803 24.505 1162 H LEU 25 H LEU 25 25.961 4.734 20.507 1163 HA LEU 25 HA LEU 25 28.515 6.083 19.681 1164 1HB LEU 25 1HB LEU 25 27.800 4.079 18.376 1165 2HB LEU 25 2HB LEU 25 26.279 4.892 18.007 1166 HG LEU 25 HG LEU 25 27.679 6.790 17.035 1167 1HD1 LEU 25 1HD1 LEU 25 29.983 5.914 16.259 1168 2HD1 LEU 25 2HD1 LEU 25 29.799 4.695 17.520 1169 3HD1 LEU 25 3HD1 LEU 25 29.831 6.407 17.946 1170 1HD2 LEU 25 1HD2 LEU 25 26.523 4.884 15.750 1171 2HD2 LEU 25 2HD2 LEU 25 28.120 4.144 15.636 1172 3HD2 LEU 25 3HD2 LEU 25 27.826 5.724 14.908 Start of MODEL 17 1 1H PHE 1 1H PHE 1 -11.498 -45.064 3.731 2 2H PHE 1 2H PHE 1 -12.172 -44.405 5.145 3 3H PHE 1 3H PHE 1 -10.486 -44.435 4.938 4 HA PHE 1 HA PHE 1 -10.676 -42.890 3.063 5 1HB PHE 1 1HB PHE 1 -12.952 -43.798 2.498 6 2HB PHE 1 2HB PHE 1 -13.599 -42.916 3.880 7 HD1 PHE 1 HD1 PHE 1 -14.239 -40.666 3.657 8 HD2 PHE 1 HD2 PHE 1 -11.630 -42.428 0.735 9 HE1 PHE 1 HE1 PHE 1 -14.401 -38.612 2.275 10 HE2 PHE 1 HE2 PHE 1 -11.792 -40.375 -0.647 11 HZ PHE 1 HZ PHE 1 -13.178 -38.467 0.123 12 H ALA 2 H ALA 2 -9.370 -41.628 4.529 13 HA ALA 2 HA ALA 2 -10.930 -39.966 6.483 14 1HB ALA 2 1HB ALA 2 -9.609 -41.687 7.613 15 2HB ALA 2 2HB ALA 2 -8.870 -40.112 7.901 16 3HB ALA 2 3HB ALA 2 -8.170 -41.211 6.711 17 H LYS 3 H LYS 3 -10.364 -39.153 3.749 18 HA LYS 3 HA LYS 3 -8.487 -36.887 4.298 19 1HB LYS 3 1HB LYS 3 -8.460 -38.973 2.137 20 2HB LYS 3 2HB LYS 3 -7.856 -37.356 1.773 21 1HG LYS 3 1HG LYS 3 -6.068 -37.543 3.226 22 2HG LYS 3 2HG LYS 3 -6.916 -38.666 4.290 23 1HD LYS 3 1HD LYS 3 -6.701 -40.445 2.596 24 2HD LYS 3 2HD LYS 3 -5.858 -39.326 1.525 25 1HE LYS 3 1HE LYS 3 -4.821 -39.773 4.321 26 2HE LYS 3 2HE LYS 3 -4.420 -40.920 3.025 27 1HZ LYS 3 1HZ LYS 3 -2.788 -39.193 3.003 28 2HZ LYS 3 2HZ LYS 3 -3.979 -37.982 3.015 29 3HZ LYS 3 3HZ LYS 3 -3.786 -38.973 1.649 30 H LEU 4 H LEU 4 -9.072 -34.920 3.158 31 HA LEU 4 HA LEU 4 -11.615 -35.056 1.571 32 1HB LEU 4 1HB LEU 4 -10.864 -33.554 4.035 33 2HB LEU 4 2HB LEU 4 -11.841 -32.691 2.847 34 HG LEU 4 HG LEU 4 -12.583 -35.470 3.756 35 1HD1 LEU 4 1HD1 LEU 4 -12.944 -32.849 5.152 36 2HD1 LEU 4 2HD1 LEU 4 -12.708 -34.458 5.833 37 3HD1 LEU 4 3HD1 LEU 4 -14.283 -33.998 5.185 38 1HD2 LEU 4 1HD2 LEU 4 -14.010 -33.135 2.459 39 2HD2 LEU 4 2HD2 LEU 4 -14.871 -34.518 3.133 40 3HD2 LEU 4 3HD2 LEU 4 -13.749 -34.746 1.792 41 H VAL 5 H VAL 5 -11.895 -32.999 0.197 42 HA VAL 5 HA VAL 5 -9.210 -31.954 -0.651 43 HB VAL 5 HB VAL 5 -11.769 -32.432 -2.221 44 1HG1 VAL 5 1HG1 VAL 5 -9.009 -31.666 -3.216 45 2HG1 VAL 5 2HG1 VAL 5 -10.342 -30.527 -3.031 46 3HG1 VAL 5 3HG1 VAL 5 -10.469 -31.852 -4.186 47 1HG2 VAL 5 1HG2 VAL 5 -10.916 -34.574 -1.926 48 2HG2 VAL 5 2HG2 VAL 5 -9.253 -34.003 -1.784 49 3HG2 VAL 5 3HG2 VAL 5 -10.027 -34.078 -3.367 50 H ARG 6 H ARG 6 -9.546 -30.154 0.988 51 HA ARG 6 HA ARG 6 -11.342 -28.037 -0.137 52 1HB ARG 6 1HB ARG 6 -11.016 -28.908 2.754 53 2HB ARG 6 2HB ARG 6 -11.959 -27.512 2.226 54 1HG ARG 6 1HG ARG 6 -13.212 -29.178 0.698 55 2HG ARG 6 2HG ARG 6 -12.486 -30.437 1.699 56 1HD ARG 6 1HD ARG 6 -14.053 -28.119 2.875 57 2HD ARG 6 2HD ARG 6 -14.789 -29.683 2.473 58 HE ARG 6 HE ARG 6 -13.264 -30.746 4.086 59 1HH1 ARG 6 1HH1 ARG 6 -14.689 -28.281 5.392 60 2HH1 ARG 6 2HH1 ARG 6 -13.380 -27.660 6.342 61 1HH2 ARG 6 1HH2 ARG 6 -10.959 -29.529 4.709 62 2HH2 ARG 6 2HH2 ARG 6 -11.269 -28.367 5.956 63 HA PRO 7 HA PRO 7 -7.161 -26.297 0.473 64 1HB PRO 7 1HB PRO 7 -7.416 -24.304 -1.387 65 2HB PRO 7 2HB PRO 7 -6.956 -25.966 -1.808 66 1HG PRO 7 1HG PRO 7 -9.599 -24.618 -2.040 67 2HG PRO 7 2HG PRO 7 -8.816 -25.766 -3.137 68 1HD PRO 7 1HD PRO 7 -10.798 -26.460 -1.399 69 2HD PRO 7 2HD PRO 7 -9.544 -27.589 -1.959 70 HA PRO 8 HA PRO 8 -8.756 -23.113 3.157 71 1HB PRO 8 1HB PRO 8 -6.389 -22.022 3.983 72 2HB PRO 8 2HB PRO 8 -6.995 -23.578 4.584 73 1HG PRO 8 1HG PRO 8 -4.905 -23.018 2.549 74 2HG PRO 8 2HG PRO 8 -4.985 -24.301 3.766 75 1HD PRO 8 1HD PRO 8 -5.569 -24.656 1.109 76 2HD PRO 8 2HD PRO 8 -6.201 -25.676 2.418 77 H VAL 9 H VAL 9 -7.907 -20.543 3.520 78 HA VAL 9 HA VAL 9 -7.518 -19.399 0.777 79 HB VAL 9 HB VAL 9 -9.247 -17.715 1.401 80 1HG1 VAL 9 1HG1 VAL 9 -11.115 -19.130 1.005 81 2HG1 VAL 9 2HG1 VAL 9 -10.352 -20.496 1.820 82 3HG1 VAL 9 3HG1 VAL 9 -9.749 -19.955 0.253 83 1HG2 VAL 9 1HG2 VAL 9 -10.256 -17.642 3.461 84 2HG2 VAL 9 2HG2 VAL 9 -8.756 -18.408 3.978 85 3HG2 VAL 9 3HG2 VAL 9 -10.187 -19.391 3.672 86 H GLN 10 H GLN 10 -5.244 -19.537 2.196 87 HA GLN 10 HA GLN 10 -4.963 -16.864 3.540 88 1HB GLN 10 1HB GLN 10 -3.578 -19.518 4.051 89 2HB GLN 10 2HB GLN 10 -3.216 -18.014 4.898 90 1HG GLN 10 1HG GLN 10 -5.878 -18.067 5.274 91 2HG GLN 10 2HG GLN 10 -5.584 -19.802 5.143 92 1HE2 GLN 10 1HE2 GLN 10 -5.966 -17.600 7.518 93 2HE2 GLN 10 2HE2 GLN 10 -4.836 -18.165 8.651 94 H ILE 11 H ILE 11 -3.386 -15.517 2.608 95 HA ILE 11 HA ILE 11 -1.687 -14.806 1.141 96 HB ILE 11 HB ILE 11 -0.764 -17.644 1.678 97 1HG1 ILE 11 1HG1 ILE 11 0.738 -16.174 3.309 98 2HG1 ILE 11 2HG1 ILE 11 -0.637 -15.074 3.214 99 1HG2 ILE 11 1HG2 ILE 11 0.655 -16.962 -0.004 100 2HG2 ILE 11 2HG2 ILE 11 1.491 -16.248 1.376 101 3HG2 ILE 11 3HG2 ILE 11 0.437 -15.253 0.368 102 1HD1 ILE 11 1HD1 ILE 11 -1.301 -17.932 3.653 103 2HD1 ILE 11 2HD1 ILE 11 -2.019 -16.487 4.364 104 3HD1 ILE 11 3HD1 ILE 11 -0.496 -17.116 4.992 105 H TYR 12 H TYR 12 -2.607 -14.496 -0.915 106 HA TYR 12 HA TYR 12 -2.296 -16.679 -2.900 107 1HB TYR 12 1HB TYR 12 -4.874 -16.029 -3.476 108 2HB TYR 12 2HB TYR 12 -4.456 -17.358 -2.402 109 HD1 TYR 12 HD1 TYR 12 -4.521 -17.054 0.046 110 HD2 TYR 12 HD2 TYR 12 -5.913 -13.989 -2.617 111 HE1 TYR 12 HE1 TYR 12 -5.595 -15.918 1.937 112 HE2 TYR 12 HE2 TYR 12 -7.031 -12.856 -0.715 113 HH TYR 12 HH TYR 12 -7.881 -14.073 1.917 114 H GLY 13 H GLY 13 -0.801 -15.035 -3.880 115 1HA GLY 13 1HA GLY 13 -1.143 -13.702 -6.012 116 2HA GLY 13 2HA GLY 13 -2.287 -12.739 -5.076 117 H ILE 14 H ILE 14 0.832 -12.734 -6.201 118 HA ILE 14 HA ILE 14 2.568 -11.885 -4.180 119 HB ILE 14 HB ILE 14 3.185 -12.062 -6.563 120 1HG1 ILE 14 1HG1 ILE 14 4.597 -10.052 -6.745 121 2HG1 ILE 14 2HG1 ILE 14 3.625 -9.240 -5.520 122 1HG2 ILE 14 1HG2 ILE 14 2.566 -10.205 -8.112 123 2HG2 ILE 14 2HG2 ILE 14 1.517 -9.545 -6.860 124 3HG2 ILE 14 3HG2 ILE 14 1.164 -11.121 -7.565 125 1HD1 ILE 14 1HD1 ILE 14 4.702 -10.285 -3.827 126 2HD1 ILE 14 2HD1 ILE 14 5.913 -10.727 -5.032 127 3HD1 ILE 14 3HD1 ILE 14 4.615 -11.853 -4.631 128 H GLU 15 H GLU 15 -0.145 -9.986 -5.546 129 HA GLU 15 HA GLU 15 0.442 -7.404 -4.542 130 1HB GLU 15 1HB GLU 15 -1.966 -8.945 -5.290 131 2HB GLU 15 2HB GLU 15 -2.286 -7.686 -4.102 132 1HG GLU 15 1HG GLU 15 -1.780 -5.987 -5.554 133 2HG GLU 15 2HG GLU 15 -0.543 -6.929 -6.387 134 H GLY 16 H GLY 16 -0.816 -10.264 -2.771 135 1HA GLY 16 1HA GLY 16 -1.364 -8.843 -0.316 136 2HA GLY 16 2HA GLY 16 -1.116 -10.587 -0.457 137 H ARG 17 H ARG 17 1.534 -10.554 -1.574 138 HA ARG 17 HA ARG 17 3.160 -10.369 0.775 139 1HB ARG 17 1HB ARG 17 3.622 -10.574 -2.177 140 2HB ARG 17 2HB ARG 17 5.006 -10.168 -1.160 141 1HG ARG 17 1HG ARG 17 4.830 -12.181 0.079 142 2HG ARG 17 2HG ARG 17 3.192 -12.490 -0.499 143 1HD ARG 17 1HD ARG 17 3.922 -13.295 -2.549 144 2HD ARG 17 2HD ARG 17 5.394 -12.304 -2.530 145 HE ARG 17 HE ARG 17 6.296 -13.842 -0.794 146 1HH1 ARG 17 1HH1 ARG 17 3.168 -14.816 -0.930 147 2HH1 ARG 17 2HH1 ARG 17 3.477 -16.480 -1.298 148 1HH2 ARG 17 1HH2 ARG 17 6.845 -15.983 -1.962 149 2HH2 ARG 17 2HH2 ARG 17 5.558 -17.140 -1.883 150 H TYR 18 H TYR 18 2.375 -7.869 -1.660 151 HA TYR 18 HA TYR 18 4.403 -5.962 -1.095 152 1HB TYR 18 1HB TYR 18 1.567 -5.895 -2.018 153 2HB TYR 18 2HB TYR 18 2.226 -4.370 -1.446 154 HD1 TYR 18 HD1 TYR 18 4.011 -7.151 -3.221 155 HD2 TYR 18 HD2 TYR 18 2.519 -3.123 -3.421 156 HE1 TYR 18 HE1 TYR 18 5.154 -6.833 -5.398 157 HE2 TYR 18 HE2 TYR 18 3.665 -2.809 -5.596 158 HH TYR 18 HH TYR 18 4.462 -4.682 -7.542 159 H ALA 19 H ALA 19 1.424 -6.711 0.765 160 HA ALA 19 HA ALA 19 1.846 -4.537 2.689 161 1HB ALA 19 1HB ALA 19 0.020 -6.873 2.367 162 2HB ALA 19 2HB ALA 19 -0.355 -5.207 2.811 163 3HB ALA 19 3HB ALA 19 0.283 -6.321 4.021 164 H THR 20 H THR 20 2.664 -8.044 2.591 165 HA THR 20 HA THR 20 3.789 -8.000 5.274 166 HB THR 20 HB THR 20 4.900 -10.159 3.820 167 HG1 THR 20 HG1 THR 20 3.035 -10.957 2.785 168 1HG2 THR 20 1HG2 THR 20 4.074 -10.262 6.119 169 2HG2 THR 20 2HG2 THR 20 3.213 -11.450 5.140 170 3HG2 THR 20 3HG2 THR 20 2.432 -9.927 5.568 171 H ALA 21 H ALA 21 5.156 -7.559 2.006 172 HA ALA 21 HA ALA 21 7.908 -7.490 3.022 173 1HB ALA 21 1HB ALA 21 7.902 -7.986 0.755 174 2HB ALA 21 2HB ALA 21 8.082 -6.237 0.640 175 3HB ALA 21 3HB ALA 21 6.495 -6.973 0.432 176 H LEU 22 H LEU 22 5.271 -5.206 3.051 177 HA LEU 22 HA LEU 22 7.170 -2.912 3.375 178 1HB LEU 22 1HB LEU 22 5.222 -2.654 1.848 179 2HB LEU 22 2HB LEU 22 4.135 -3.055 3.179 180 HG LEU 22 HG LEU 22 5.673 -1.022 4.261 181 1HD1 LEU 22 1HD1 LEU 22 6.751 -0.341 2.273 182 2HD1 LEU 22 2HD1 LEU 22 5.396 0.777 2.427 183 3HD1 LEU 22 3HD1 LEU 22 5.298 -0.576 1.301 184 1HD2 LEU 22 1HD2 LEU 22 3.556 0.384 3.473 185 2HD2 LEU 22 2HD2 LEU 22 3.397 -0.891 4.681 186 3HD2 LEU 22 3HD2 LEU 22 2.962 -1.208 3.001 187 H TYR 23 H TYR 23 4.424 -4.549 5.043 188 HA TYR 23 HA TYR 23 4.937 -3.072 7.488 189 1HB TYR 23 1HB TYR 23 2.894 -3.877 8.010 190 2HB TYR 23 2HB TYR 23 2.858 -4.648 6.438 191 HD1 TYR 23 HD1 TYR 23 2.559 -6.947 6.322 192 HD2 TYR 23 HD2 TYR 23 4.138 -5.214 9.904 193 HE1 TYR 23 HE1 TYR 23 2.551 -9.162 7.390 194 HE2 TYR 23 HE2 TYR 23 4.097 -7.420 11.009 195 HH TYR 23 HH TYR 23 4.094 -10.164 9.601 196 H SER 24 H SER 24 6.506 -5.837 5.988 197 HA SER 24 HA SER 24 7.383 -7.358 8.222 198 1HB SER 24 1HB SER 24 8.171 -8.212 6.214 199 2HB SER 24 2HB SER 24 8.490 -6.615 5.544 200 HG SER 24 HG SER 24 10.013 -8.103 7.412 201 H ALA 25 H ALA 25 8.593 -4.211 6.994 202 HA ALA 25 HA ALA 25 10.651 -3.951 9.076 203 1HB ALA 25 1HB ALA 25 9.382 -2.187 6.983 204 2HB ALA 25 2HB ALA 25 11.080 -2.627 7.174 205 3HB ALA 25 3HB ALA 25 10.349 -1.444 8.258 206 H ALA 26 H ALA 26 7.284 -2.796 8.536 207 HA ALA 26 HA ALA 26 6.967 -1.195 10.884 208 1HB ALA 26 1HB ALA 26 5.275 -1.325 9.116 209 2HB ALA 26 2HB ALA 26 4.534 -1.826 10.636 210 3HB ALA 26 3HB ALA 26 5.014 -3.035 9.451 211 H SER 27 H SER 27 6.660 -4.760 10.487 212 HA SER 27 HA SER 27 5.660 -5.436 13.079 213 1HB SER 27 1HB SER 27 6.587 -7.628 12.630 214 2HB SER 27 2HB SER 27 6.079 -6.960 11.081 215 HG SER 27 HG SER 27 8.280 -7.919 11.264 216 H LYS 28 H LYS 28 9.036 -4.787 12.023 217 HA LYS 28 HA LYS 28 10.206 -5.353 14.642 218 1HB LYS 28 1HB LYS 28 11.171 -3.793 12.218 219 2HB LYS 28 2HB LYS 28 12.184 -4.141 13.620 220 1HG LYS 28 1HG LYS 28 12.343 -6.384 13.125 221 2HG LYS 28 2HG LYS 28 10.748 -6.439 12.375 222 1HD LYS 28 1HD LYS 28 12.076 -6.596 10.485 223 2HD LYS 28 2HD LYS 28 11.912 -4.843 10.595 224 1HE LYS 28 1HE LYS 28 14.218 -4.952 10.458 225 2HE LYS 28 2HE LYS 28 14.066 -5.196 12.209 226 1HZ LYS 28 1HZ LYS 28 15.376 -6.970 11.225 227 2HZ LYS 28 2HZ LYS 28 14.114 -7.339 10.148 228 3HZ LYS 28 3HZ LYS 28 13.911 -7.585 11.817 229 H GLN 29 H GLN 29 9.012 -2.383 13.008 230 HA GLN 29 HA GLN 29 9.792 -0.726 15.344 231 1HB GLN 29 1HB GLN 29 8.595 -0.242 12.622 232 2HB GLN 29 2HB GLN 29 8.575 1.033 13.841 233 1HG GLN 29 1HG GLN 29 10.890 1.232 13.873 234 2HG GLN 29 2HG GLN 29 11.143 -0.421 13.314 235 1HE2 GLN 29 1HE2 GLN 29 9.183 2.310 11.924 236 2HE2 GLN 29 2HE2 GLN 29 9.928 2.238 10.402 237 H ASN 30 H ASN 30 7.221 -2.831 14.932 238 HA ASN 30 HA ASN 30 5.154 -3.014 16.018 239 1HB ASN 30 1HB ASN 30 6.784 -1.752 17.755 240 2HB ASN 30 2HB ASN 30 5.610 -0.460 17.499 241 1HD2 ASN 30 1HD2 ASN 30 4.567 -0.677 19.613 242 2HD2 ASN 30 2HD2 ASN 30 3.670 -2.058 20.021 243 H LYS 31 H LYS 31 5.237 -1.709 13.466 244 HA LYS 31 HA LYS 31 3.311 0.556 13.806 245 1HB LYS 31 1HB LYS 31 5.242 -0.332 11.674 246 2HB LYS 31 2HB LYS 31 3.936 0.786 11.280 247 1HG LYS 31 1HG LYS 31 5.776 1.268 13.624 248 2HG LYS 31 2HG LYS 31 6.190 1.815 11.998 249 1HD LYS 31 1HD LYS 31 4.011 3.032 11.900 250 2HD LYS 31 2HD LYS 31 3.712 2.567 13.575 251 1HE LYS 31 1HE LYS 31 6.315 3.914 12.924 252 2HE LYS 31 2HE LYS 31 4.846 4.905 13.040 253 1HZ LYS 31 1HZ LYS 31 6.008 4.536 15.205 254 2HZ LYS 31 2HZ LYS 31 5.628 2.886 15.072 255 3HZ LYS 31 3HZ LYS 31 4.387 4.041 15.190 256 H LEU 32 H LEU 32 2.964 -2.730 13.514 257 HA LEU 32 HA LEU 32 1.390 -3.359 11.273 258 1HB LEU 32 1HB LEU 32 1.438 -4.167 14.167 259 2HB LEU 32 2HB LEU 32 0.090 -4.732 13.185 260 HG LEU 32 HG LEU 32 2.109 -6.294 13.298 261 1HD1 LEU 32 1HD1 LEU 32 0.276 -5.986 11.411 262 2HD1 LEU 32 2HD1 LEU 32 1.633 -7.080 11.173 263 3HD1 LEU 32 3HD1 LEU 32 1.662 -5.469 10.454 264 1HD2 LEU 32 1HD2 LEU 32 3.319 -4.151 11.517 265 2HD2 LEU 32 2HD2 LEU 32 4.013 -5.735 11.829 266 3HD2 LEU 32 3HD2 LEU 32 3.869 -4.580 13.135 267 H GLU 33 H GLU 33 0.382 -1.581 14.220 268 HA GLU 33 HA GLU 33 -2.402 -1.295 13.290 269 1HB GLU 33 1HB GLU 33 -0.766 0.114 15.439 270 2HB GLU 33 2HB GLU 33 -2.501 0.334 15.214 271 1HG GLU 33 1HG GLU 33 -2.663 -2.236 15.417 272 2HG GLU 33 2HG GLU 33 -1.027 -2.154 16.072 273 H GLN 34 H GLN 34 0.576 0.714 13.312 274 HA GLN 34 HA GLN 34 -0.581 3.083 12.143 275 1HB GLN 34 1HB GLN 34 1.748 2.633 13.247 276 2HB GLN 34 2HB GLN 34 2.237 2.160 11.622 277 1HG GLN 34 1HG GLN 34 2.657 4.372 11.319 278 2HG GLN 34 2HG GLN 34 0.912 4.511 11.128 279 1HE2 GLN 34 1HE2 GLN 34 1.537 6.834 12.028 280 2HE2 GLN 34 2HE2 GLN 34 1.510 6.997 13.718 281 H VAL 35 H VAL 35 0.530 0.025 10.665 282 HA VAL 35 HA VAL 35 0.181 1.251 7.964 283 HB VAL 35 HB VAL 35 0.997 -1.612 8.376 284 1HG1 VAL 35 1HG1 VAL 35 1.786 0.630 6.505 285 2HG1 VAL 35 2HG1 VAL 35 0.820 -0.796 6.121 286 3HG1 VAL 35 3HG1 VAL 35 2.537 -0.966 6.486 287 1HG2 VAL 35 1HG2 VAL 35 3.446 -0.369 8.398 288 2HG2 VAL 35 2HG2 VAL 35 2.657 -0.998 9.839 289 3HG2 VAL 35 3HG2 VAL 35 2.515 0.714 9.433 290 H GLU 36 H GLU 36 -1.144 -1.409 9.993 291 HA GLU 36 HA GLU 36 -2.913 -2.489 7.995 292 1HB GLU 36 1HB GLU 36 -2.296 -3.609 10.121 293 2HB GLU 36 2HB GLU 36 -3.219 -2.404 11.016 294 1HG GLU 36 1HG GLU 36 -4.690 -4.254 10.811 295 2HG GLU 36 2HG GLU 36 -5.229 -3.123 9.574 296 H LYS 37 H LYS 37 -3.223 0.474 9.923 297 HA LYS 37 HA LYS 37 -6.140 0.607 9.320 298 1HB LYS 37 1HB LYS 37 -4.245 2.321 10.959 299 2HB LYS 37 2HB LYS 37 -5.963 2.671 10.774 300 1HG LYS 37 1HG LYS 37 -6.569 0.562 11.798 301 2HG LYS 37 2HG LYS 37 -4.881 0.046 11.833 302 1HD LYS 37 1HD LYS 37 -4.365 1.380 13.627 303 2HD LYS 37 2HD LYS 37 -5.508 2.639 13.153 304 1HE LYS 37 1HE LYS 37 -6.636 -0.003 14.001 305 2HE LYS 37 2HE LYS 37 -6.011 1.082 15.260 306 1HZ LYS 37 1HZ LYS 37 -8.288 1.653 14.822 307 2HZ LYS 37 2HZ LYS 37 -7.993 1.762 13.152 308 3HZ LYS 37 3HZ LYS 37 -7.300 2.891 14.215 309 H GLU 38 H GLU 38 -3.129 2.491 8.635 310 HA GLU 38 HA GLU 38 -4.484 4.486 7.037 311 1HB GLU 38 1HB GLU 38 -1.622 3.469 6.975 312 2HB GLU 38 2HB GLU 38 -2.189 4.971 6.264 313 1HG GLU 38 1HG GLU 38 -2.987 4.672 9.070 314 2HG GLU 38 2HG GLU 38 -1.241 4.699 8.847 315 H LEU 39 H LEU 39 -3.015 1.309 6.230 316 HA LEU 39 HA LEU 39 -3.146 1.466 3.378 317 1HB LEU 39 1HB LEU 39 -3.009 -0.639 5.439 318 2HB LEU 39 2HB LEU 39 -3.860 -1.160 3.991 319 HG LEU 39 HG LEU 39 -1.948 -0.366 2.613 320 1HD1 LEU 39 1HD1 LEU 39 0.196 -0.165 4.263 321 2HD1 LEU 39 2HD1 LEU 39 -1.047 0.549 5.290 322 3HD1 LEU 39 3HD1 LEU 39 -0.721 1.232 3.698 323 1HD2 LEU 39 1HD2 LEU 39 -0.693 -2.160 4.639 324 2HD2 LEU 39 2HD2 LEU 39 -0.804 -2.348 2.889 325 3HD2 LEU 39 3HD2 LEU 39 -2.198 -2.714 3.908 326 H LEU 40 H LEU 40 -5.725 0.701 5.761 327 HA LEU 40 HA LEU 40 -7.767 -0.150 3.964 328 1HB LEU 40 1HB LEU 40 -7.675 1.231 6.624 329 2HB LEU 40 2HB LEU 40 -9.228 1.152 5.791 330 HG LEU 40 HG LEU 40 -7.516 -1.309 6.118 331 1HD1 LEU 40 1HD1 LEU 40 -9.388 -0.012 8.096 332 2HD1 LEU 40 2HD1 LEU 40 -7.783 -0.689 8.378 333 3HD1 LEU 40 3HD1 LEU 40 -9.153 -1.760 8.084 334 1HD2 LEU 40 1HD2 LEU 40 -9.408 -2.448 5.438 335 2HD2 LEU 40 2HD2 LEU 40 -9.691 -0.919 4.605 336 3HD2 LEU 40 3HD2 LEU 40 -10.503 -1.255 6.134 337 H ARG 41 H ARG 41 -6.657 3.175 4.731 338 HA ARG 41 HA ARG 41 -8.771 4.636 3.472 339 1HB ARG 41 1HB ARG 41 -5.806 5.167 3.827 340 2HB ARG 41 2HB ARG 41 -6.894 6.365 3.125 341 1HG ARG 41 1HG ARG 41 -8.353 5.930 5.243 342 2HG ARG 41 2HG ARG 41 -6.875 5.245 5.919 343 1HD ARG 41 1HD ARG 41 -5.675 7.361 5.460 344 2HD ARG 41 2HD ARG 41 -7.168 8.056 4.797 345 HE ARG 41 HE ARG 41 -6.879 7.145 7.636 346 1HH1 ARG 41 1HH1 ARG 41 -6.860 10.085 6.816 347 2HH1 ARG 41 2HH1 ARG 41 -8.498 10.534 7.150 348 1HH2 ARG 41 1HH2 ARG 41 -9.634 7.264 7.351 349 2HH2 ARG 41 2HH2 ARG 41 -10.069 8.937 7.453 350 H VAL 42 H VAL 42 -5.805 3.179 2.049 351 HA VAL 42 HA VAL 42 -6.127 4.237 -0.606 352 HB VAL 42 HB VAL 42 -4.949 1.592 0.341 353 1HG1 VAL 42 1HG1 VAL 42 -5.486 2.189 -2.249 354 2HG1 VAL 42 2HG1 VAL 42 -4.072 1.261 -1.757 355 3HG1 VAL 42 3HG1 VAL 42 -3.924 2.987 -2.081 356 1HG2 VAL 42 1HG2 VAL 42 -3.937 4.413 0.168 357 2HG2 VAL 42 2HG2 VAL 42 -2.807 3.080 -0.076 358 3HG2 VAL 42 3HG2 VAL 42 -3.694 3.217 1.442 359 H GLY 43 H GLY 43 -7.528 1.310 0.947 360 1HA GLY 43 1HA GLY 43 -8.749 0.269 -1.433 361 2HA GLY 43 2HA GLY 43 -9.249 -0.105 0.219 362 H GLN 44 H GLN 44 -10.047 2.367 1.202 363 HA GLN 44 HA GLN 44 -12.678 2.700 0.112 364 1HB GLN 44 1HB GLN 44 -11.888 3.395 2.398 365 2HB GLN 44 2HB GLN 44 -11.022 4.737 1.647 366 1HG GLN 44 1HG GLN 44 -13.052 5.741 0.877 367 2HG GLN 44 2HG GLN 44 -13.989 4.296 1.260 368 1HE2 GLN 44 1HE2 GLN 44 -14.027 7.251 2.363 369 2HE2 GLN 44 2HE2 GLN 44 -14.024 7.017 4.044 370 H ILE 45 H ILE 45 -9.630 4.464 -0.586 371 HA ILE 45 HA ILE 45 -10.739 6.567 -2.197 372 HB ILE 45 HB ILE 45 -8.076 5.082 -2.323 373 1HG1 ILE 45 1HG1 ILE 45 -8.507 7.857 -1.256 374 2HG1 ILE 45 2HG1 ILE 45 -8.923 6.472 -0.250 375 1HG2 ILE 45 1HG2 ILE 45 -8.821 6.494 -4.420 376 2HG2 ILE 45 2HG2 ILE 45 -7.205 6.713 -3.757 377 3HG2 ILE 45 3HG2 ILE 45 -8.476 7.871 -3.375 378 1HD1 ILE 45 1HD1 ILE 45 -6.750 5.978 0.150 379 2HD1 ILE 45 2HD1 ILE 45 -6.398 7.588 -0.477 380 3HD1 ILE 45 3HD1 ILE 45 -6.306 6.188 -1.545 381 H LEU 46 H LEU 46 -9.786 3.215 -3.095 382 HA LEU 46 HA LEU 46 -10.559 3.660 -5.901 383 1HB LEU 46 1HB LEU 46 -8.792 2.042 -5.250 384 2HB LEU 46 2HB LEU 46 -9.989 1.098 -4.366 385 HG LEU 46 HG LEU 46 -11.243 0.703 -6.445 386 1HD1 LEU 46 1HD1 LEU 46 -10.187 1.387 -8.621 387 2HD1 LEU 46 2HD1 LEU 46 -9.031 2.353 -7.706 388 3HD1 LEU 46 3HD1 LEU 46 -10.748 2.754 -7.656 389 1HD2 LEU 46 1HD2 LEU 46 -8.353 -0.019 -6.213 390 2HD2 LEU 46 2HD2 LEU 46 -9.181 -0.422 -7.717 391 3HD2 LEU 46 3HD2 LEU 46 -9.776 -1.060 -6.185 392 H LYS 47 H LYS 47 -12.182 2.519 -2.949 393 HA LYS 47 HA LYS 47 -14.430 1.283 -4.343 394 1HB LYS 47 1HB LYS 47 -13.550 1.039 -1.861 395 2HB LYS 47 2HB LYS 47 -14.581 2.439 -1.563 396 1HG LYS 47 1HG LYS 47 -15.771 0.200 -3.127 397 2HG LYS 47 2HG LYS 47 -15.510 -0.077 -1.404 398 1HD LYS 47 1HD LYS 47 -16.800 2.481 -2.305 399 2HD LYS 47 2HD LYS 47 -17.765 1.007 -2.216 400 1HE LYS 47 1HE LYS 47 -16.515 0.859 0.184 401 2HE LYS 47 2HE LYS 47 -16.588 2.621 -0.015 402 1HZ LYS 47 1HZ LYS 47 -18.950 2.346 -0.662 403 2HZ LYS 47 2HZ LYS 47 -18.641 1.896 0.947 404 3HZ LYS 47 3HZ LYS 47 -18.846 0.705 -0.248 405 H GLU 48 H GLU 48 -13.615 4.574 -3.193 406 HA GLU 48 HA GLU 48 -16.182 5.759 -3.275 407 1HB GLU 48 1HB GLU 48 -13.368 6.657 -3.689 408 2HB GLU 48 2HB GLU 48 -14.639 7.775 -4.183 409 1HG GLU 48 1HG GLU 48 -15.667 7.213 -1.831 410 2HG GLU 48 2HG GLU 48 -14.021 6.711 -1.445 411 HA PRO 49 HA PRO 49 -17.153 5.290 -7.600 412 1HB PRO 49 1HB PRO 49 -19.285 6.998 -7.753 413 2HB PRO 49 2HB PRO 49 -19.387 5.386 -7.020 414 1HG PRO 49 1HG PRO 49 -19.124 8.045 -5.714 415 2HG PRO 49 2HG PRO 49 -20.081 6.638 -5.226 416 1HD PRO 49 1HD PRO 49 -17.702 7.307 -4.082 417 2HD PRO 49 2HD PRO 49 -18.316 5.642 -4.165 418 H LYS 50 H LYS 50 -16.823 8.581 -6.198 419 HA LYS 50 HA LYS 50 -16.388 9.822 -8.840 420 1HB LYS 50 1HB LYS 50 -17.210 10.780 -6.456 421 2HB LYS 50 2HB LYS 50 -15.487 11.121 -6.298 422 1HG LYS 50 1HG LYS 50 -15.523 12.338 -8.441 423 2HG LYS 50 2HG LYS 50 -17.245 11.993 -8.611 424 1HD LYS 50 1HD LYS 50 -16.331 13.291 -6.080 425 2HD LYS 50 2HD LYS 50 -16.390 14.281 -7.538 426 1HE LYS 50 1HE LYS 50 -18.766 12.557 -7.042 427 2HE LYS 50 2HE LYS 50 -18.552 13.943 -5.955 428 1HZ LYS 50 1HZ LYS 50 -19.734 14.616 -7.950 429 2HZ LYS 50 2HZ LYS 50 -18.472 14.030 -8.926 430 3HZ LYS 50 3HZ LYS 50 -18.208 15.356 -7.896 431 H MET 51 H MET 51 -14.382 8.600 -6.151 432 HA MET 51 HA MET 51 -11.864 9.483 -7.394 433 1HB MET 51 1HB MET 51 -12.322 9.297 -4.918 434 2HB MET 51 2HB MET 51 -12.359 7.546 -5.118 435 1HG MET 51 1HG MET 51 -10.151 8.191 -4.393 436 2HG MET 51 2HG MET 51 -10.058 7.657 -6.068 437 1HE MET 51 1HE MET 51 -9.366 8.671 -7.818 438 2HE MET 51 2HE MET 51 -7.854 9.049 -6.997 439 3HE MET 51 3HE MET 51 -8.638 10.274 -7.992 440 H ALA 52 H ALA 52 -13.814 6.485 -7.304 441 HA ALA 52 HA ALA 52 -11.843 4.615 -8.182 442 1HB ALA 52 1HB ALA 52 -13.870 3.621 -7.628 443 2HB ALA 52 2HB ALA 52 -14.043 3.657 -9.381 444 3HB ALA 52 3HB ALA 52 -14.820 4.894 -8.394 445 H ALA 53 H ALA 53 -13.797 6.942 -10.089 446 HA ALA 53 HA ALA 53 -13.107 5.970 -12.699 447 1HB ALA 53 1HB ALA 53 -14.038 7.997 -13.470 448 2HB ALA 53 2HB ALA 53 -13.480 8.895 -12.058 449 3HB ALA 53 3HB ALA 53 -14.826 7.765 -11.909 450 H SER 54 H SER 54 -11.236 8.042 -10.462 451 HA SER 54 HA SER 54 -9.285 8.726 -12.586 452 1HB SER 54 1HB SER 54 -10.125 9.894 -10.214 453 2HB SER 54 2HB SER 54 -8.539 9.256 -9.791 454 HG SER 54 HG SER 54 -8.124 11.203 -10.676 455 H LEU 55 H LEU 55 -9.379 6.604 -9.683 456 HA LEU 55 HA LEU 55 -6.640 5.791 -9.702 457 1HB LEU 55 1HB LEU 55 -9.218 4.711 -8.699 458 2HB LEU 55 2HB LEU 55 -7.949 3.510 -8.932 459 HG LEU 55 HG LEU 55 -6.442 5.277 -7.698 460 1HD1 LEU 55 1HD1 LEU 55 -8.320 6.975 -7.725 461 2HD1 LEU 55 2HD1 LEU 55 -7.621 6.677 -6.133 462 3HD1 LEU 55 3HD1 LEU 55 -9.167 5.951 -6.566 463 1HD2 LEU 55 1HD2 LEU 55 -6.789 4.087 -5.680 464 2HD2 LEU 55 2HD2 LEU 55 -7.295 2.954 -6.933 465 3HD2 LEU 55 3HD2 LEU 55 -8.504 3.853 -6.014 466 H LEU 56 H LEU 56 -9.376 4.631 -11.709 467 HA LEU 56 HA LEU 56 -7.422 2.914 -13.205 468 1HB LEU 56 1HB LEU 56 -9.683 2.167 -11.914 469 2HB LEU 56 2HB LEU 56 -10.361 2.559 -13.494 470 HG LEU 56 HG LEU 56 -7.999 0.707 -13.052 471 1HD1 LEU 56 1HD1 LEU 56 -10.748 -0.126 -13.955 472 2HD1 LEU 56 2HD1 LEU 56 -10.368 -0.013 -12.237 473 3HD1 LEU 56 3HD1 LEU 56 -9.461 -1.119 -13.269 474 1HD2 LEU 56 1HD2 LEU 56 -8.558 0.085 -15.451 475 2HD2 LEU 56 2HD2 LEU 56 -7.909 1.712 -15.243 476 3HD2 LEU 56 3HD2 LEU 56 -9.640 1.478 -15.484 477 H ASN 57 H ASN 57 -7.651 5.777 -13.779 478 HA ASN 57 HA ASN 57 -9.307 5.839 -16.256 479 1HB ASN 57 1HB ASN 57 -8.888 7.625 -14.183 480 2HB ASN 57 2HB ASN 57 -7.842 8.258 -15.451 481 1HD2 ASN 57 1HD2 ASN 57 -11.141 6.710 -15.490 482 2HD2 ASN 57 2HD2 ASN 57 -11.844 7.944 -16.420 483 HA PRO 58 HA PRO 58 -5.330 5.372 -18.323 484 1HB PRO 58 1HB PRO 58 -6.311 4.837 -20.811 485 2HB PRO 58 2HB PRO 58 -6.229 3.619 -19.524 486 1HG PRO 58 1HG PRO 58 -8.556 5.080 -20.586 487 2HG PRO 58 2HG PRO 58 -8.469 3.483 -19.834 488 1HD PRO 58 1HD PRO 58 -9.338 5.864 -18.618 489 2HD PRO 58 2HD PRO 58 -8.983 4.326 -17.807 490 H TYR 59 H TYR 59 -7.365 7.989 -18.356 491 HA TYR 59 HA TYR 59 -6.381 9.260 -20.836 492 1HB TYR 59 1HB TYR 59 -8.384 9.881 -18.660 493 2HB TYR 59 2HB TYR 59 -7.924 11.109 -19.847 494 HD1 TYR 59 HD1 TYR 59 -9.000 7.513 -19.679 495 HD2 TYR 59 HD2 TYR 59 -9.100 11.211 -21.868 496 HE1 TYR 59 HE1 TYR 59 -10.543 6.495 -21.329 497 HE2 TYR 59 HE2 TYR 59 -10.647 10.191 -23.517 498 HH TYR 59 HH TYR 59 -11.069 7.579 -24.266 499 H VAL 60 H VAL 60 -5.760 9.336 -17.319 500 HA VAL 60 HA VAL 60 -4.117 11.808 -17.667 501 HB VAL 60 HB VAL 60 -4.106 11.856 -15.216 502 1HG1 VAL 60 1HG1 VAL 60 -6.082 12.720 -16.477 503 2HG1 VAL 60 2HG1 VAL 60 -6.486 12.170 -14.850 504 3HG1 VAL 60 3HG1 VAL 60 -6.870 11.159 -16.244 505 1HG2 VAL 60 1HG2 VAL 60 -5.962 9.647 -14.757 506 2HG2 VAL 60 2HG2 VAL 60 -4.448 10.023 -13.935 507 3HG2 VAL 60 3HG2 VAL 60 -4.432 9.076 -15.421 508 H LYS 61 H LYS 61 -3.154 9.180 -18.785 509 HA LYS 61 HA LYS 61 -1.198 7.867 -18.790 510 1HB LYS 61 1HB LYS 61 -0.660 10.557 -18.656 511 2HB LYS 61 2HB LYS 61 0.291 9.940 -17.306 512 1HG LYS 61 1HG LYS 61 1.840 9.574 -18.956 513 2HG LYS 61 2HG LYS 61 0.916 8.087 -19.170 514 1HD LYS 61 1HD LYS 61 1.196 9.137 -21.342 515 2HD LYS 61 2HD LYS 61 -0.497 9.270 -20.867 516 1HE LYS 61 1HE LYS 61 0.933 11.557 -19.835 517 2HE LYS 61 2HE LYS 61 1.259 11.395 -21.572 518 1HZ LYS 61 1HZ LYS 61 -1.454 11.140 -20.397 519 2HZ LYS 61 2HZ LYS 61 -1.044 11.268 -22.041 520 3HZ LYS 61 3HZ LYS 61 -0.848 12.602 -21.007 521 H ARG 62 H ARG 62 0.888 7.413 -17.107 522 HA ARG 62 HA ARG 62 -0.442 6.511 -14.575 523 1HB ARG 62 1HB ARG 62 0.540 4.804 -16.100 524 2HB ARG 62 2HB ARG 62 2.109 5.595 -15.951 525 1HG ARG 62 1HG ARG 62 1.710 5.295 -13.373 526 2HG ARG 62 2HG ARG 62 0.566 4.054 -13.882 527 1HD ARG 62 1HD ARG 62 2.743 3.006 -13.517 528 2HD ARG 62 2HD ARG 62 2.422 3.023 -15.262 529 HE ARG 62 HE ARG 62 4.057 4.755 -15.515 530 1HH1 ARG 62 1HH1 ARG 62 3.340 6.455 -13.180 531 2HH1 ARG 62 2HH1 ARG 62 4.706 6.250 -12.135 532 1HH2 ARG 62 1HH2 ARG 62 5.859 3.411 -13.759 533 2HH2 ARG 62 2HH2 ARG 62 6.132 4.527 -12.462 534 H SER 63 H SER 63 2.748 7.780 -15.738 535 HA SER 63 HA SER 63 3.836 8.392 -13.164 536 1HB SER 63 1HB SER 63 5.317 9.915 -14.410 537 2HB SER 63 2HB SER 63 5.070 8.440 -15.341 538 HG SER 63 HG SER 63 3.988 11.017 -15.722 539 H VAL 64 H VAL 64 1.723 10.364 -15.301 540 HA VAL 64 HA VAL 64 1.731 12.741 -13.654 541 HB VAL 64 HB VAL 64 -0.398 11.618 -15.523 542 1HG1 VAL 64 1HG1 VAL 64 -1.072 14.024 -15.728 543 2HG1 VAL 64 2HG1 VAL 64 0.054 14.413 -14.428 544 3HG1 VAL 64 3HG1 VAL 64 -1.334 13.371 -14.111 545 1HG2 VAL 64 1HG2 VAL 64 0.737 13.470 -17.009 546 2HG2 VAL 64 2HG2 VAL 64 1.495 11.884 -16.868 547 3HG2 VAL 64 3HG2 VAL 64 2.104 13.239 -15.918 548 H LYS 65 H LYS 65 -0.402 9.843 -13.695 549 HA LYS 65 HA LYS 65 -2.249 10.727 -11.677 550 1HB LYS 65 1HB LYS 65 -2.130 8.587 -13.266 551 2HB LYS 65 2HB LYS 65 -1.397 7.852 -11.840 552 1HG LYS 65 1HG LYS 65 -3.900 9.448 -11.473 553 2HG LYS 65 2HG LYS 65 -4.036 7.838 -12.180 554 1HD LYS 65 1HD LYS 65 -3.169 6.786 -10.267 555 2HD LYS 65 2HD LYS 65 -2.423 8.271 -9.674 556 1HE LYS 65 1HE LYS 65 -4.515 9.177 -8.985 557 2HE LYS 65 2HE LYS 65 -5.429 7.985 -9.931 558 1HZ LYS 65 1HZ LYS 65 -3.720 7.472 -7.557 559 2HZ LYS 65 2HZ LYS 65 -4.316 6.240 -8.564 560 3HZ LYS 65 3HZ LYS 65 -5.393 7.222 -7.691 561 H VAL 66 H VAL 66 0.954 9.122 -11.394 562 HA VAL 66 HA VAL 66 0.881 8.564 -8.584 563 HB VAL 66 HB VAL 66 3.214 9.384 -10.362 564 1HG1 VAL 66 1HG1 VAL 66 4.372 7.803 -8.569 565 2HG1 VAL 66 2HG1 VAL 66 3.036 8.348 -7.556 566 3HG1 VAL 66 3HG1 VAL 66 4.156 9.524 -8.245 567 1HG2 VAL 66 1HG2 VAL 66 1.575 7.198 -10.638 568 2HG2 VAL 66 2HG2 VAL 66 2.828 6.558 -9.578 569 3HG2 VAL 66 3HG2 VAL 66 3.263 7.243 -11.143 570 H LYS 67 H LYS 67 1.750 11.589 -10.328 571 HA LYS 67 HA LYS 67 2.698 13.087 -8.076 572 1HB LYS 67 1HB LYS 67 2.633 13.654 -10.619 573 2HB LYS 67 2HB LYS 67 1.015 14.275 -10.293 574 1HG LYS 67 1HG LYS 67 2.326 15.477 -8.279 575 2HG LYS 67 2HG LYS 67 3.662 15.330 -9.422 576 1HD LYS 67 1HD LYS 67 2.130 16.347 -11.175 577 2HD LYS 67 2HD LYS 67 1.004 16.707 -9.865 578 1HE LYS 67 1HE LYS 67 2.449 18.268 -8.872 579 2HE LYS 67 2HE LYS 67 3.885 17.571 -9.648 580 1HZ LYS 67 1HZ LYS 67 3.302 19.527 -10.854 581 2HZ LYS 67 2HZ LYS 67 1.675 19.052 -10.966 582 3HZ LYS 67 3HZ LYS 67 2.873 18.197 -11.816 583 H SER 68 H SER 68 -0.651 12.595 -9.288 584 HA SER 68 HA SER 68 -1.953 14.383 -7.443 585 1HB SER 68 1HB SER 68 -3.102 11.770 -8.457 586 2HB SER 68 2HB SER 68 -3.961 13.268 -8.113 587 HG SER 68 HG SER 68 -3.390 12.715 -10.403 588 H LEU 69 H LEU 69 -1.037 10.918 -7.137 589 HA LEU 69 HA LEU 69 -2.315 10.410 -4.619 590 1HB LEU 69 1HB LEU 69 0.106 9.302 -6.046 591 2HB LEU 69 2HB LEU 69 -0.313 8.725 -4.432 592 HG LEU 69 HG LEU 69 -2.507 8.863 -6.447 593 1HD1 LEU 69 1HD1 LEU 69 -0.818 7.843 -7.815 594 2HD1 LEU 69 2HD1 LEU 69 -1.829 6.532 -7.208 595 3HD1 LEU 69 3HD1 LEU 69 -0.253 6.840 -6.478 596 1HD2 LEU 69 1HD2 LEU 69 -3.013 6.652 -5.251 597 2HD2 LEU 69 2HD2 LEU 69 -3.101 8.108 -4.260 598 3HD2 LEU 69 3HD2 LEU 69 -1.688 7.057 -4.162 599 H SER 70 H SER 70 0.956 11.734 -5.341 600 HA SER 70 HA SER 70 1.860 11.899 -2.612 601 1HB SER 70 1HB SER 70 3.381 12.187 -4.501 602 2HB SER 70 2HB SER 70 2.482 13.595 -5.060 603 HG SER 70 HG SER 70 3.238 14.754 -3.383 604 H ASP 71 H ASP 71 0.022 14.238 -4.635 605 HA ASP 71 HA ASP 71 -0.068 16.303 -2.588 606 1HB ASP 71 1HB ASP 71 -0.579 16.291 -5.206 607 2HB ASP 71 2HB ASP 71 -2.230 16.014 -4.648 608 H MET 72 H MET 72 -1.840 13.294 -2.914 609 HA MET 72 HA MET 72 -4.092 14.257 -1.227 610 1HB MET 72 1HB MET 72 -4.465 12.640 -3.091 611 2HB MET 72 2HB MET 72 -3.370 11.500 -2.307 612 1HG MET 72 1HG MET 72 -4.860 11.477 -0.315 613 2HG MET 72 2HG MET 72 -5.976 12.549 -1.162 614 1HE MET 72 1HE MET 72 -3.927 9.517 -2.992 615 2HE MET 72 2HE MET 72 -4.818 8.253 -2.150 616 3HE MET 72 3HE MET 72 -3.938 9.466 -1.225 617 H THR 73 H THR 73 -1.317 11.988 -1.093 618 HA THR 73 HA THR 73 -1.628 11.157 1.637 619 HB THR 73 HB THR 73 0.580 11.302 -0.406 620 HG1 THR 73 HG1 THR 73 -0.736 9.536 -0.428 621 1HG2 THR 73 1HG2 THR 73 2.036 10.082 1.361 622 2HG2 THR 73 2HG2 THR 73 1.012 10.902 2.541 623 3HG2 THR 73 3HG2 THR 73 1.965 11.844 1.392 624 H ALA 74 H ALA 74 -0.023 14.050 0.197 625 HA ALA 74 HA ALA 74 1.187 15.052 2.604 626 1HB ALA 74 1HB ALA 74 1.719 15.990 0.426 627 2HB ALA 74 2HB ALA 74 1.001 17.276 1.396 628 3HB ALA 74 3HB ALA 74 0.038 16.457 0.166 629 H LYS 75 H LYS 75 -2.144 15.443 1.317 630 HA LYS 75 HA LYS 75 -2.904 17.145 3.628 631 1HB LYS 75 1HB LYS 75 -3.739 17.567 1.317 632 2HB LYS 75 2HB LYS 75 -4.548 16.000 1.343 633 1HG LYS 75 1HG LYS 75 -5.120 17.792 3.642 634 2HG LYS 75 2HG LYS 75 -5.767 18.306 2.084 635 1HD LYS 75 1HD LYS 75 -7.176 16.485 1.909 636 2HD LYS 75 2HD LYS 75 -6.112 15.439 2.850 637 1HE LYS 75 1HE LYS 75 -6.917 16.233 4.895 638 2HE LYS 75 2HE LYS 75 -7.440 17.780 4.200 639 1HZ LYS 75 1HZ LYS 75 -9.152 16.671 2.976 640 2HZ LYS 75 2HZ LYS 75 -9.301 16.218 4.606 641 3HZ LYS 75 3HZ LYS 75 -8.611 15.146 3.483 642 H GLU 76 H GLU 76 -3.270 13.752 2.573 643 HA GLU 76 HA GLU 76 -5.356 13.066 4.476 644 1HB GLU 76 1HB GLU 76 -3.385 11.588 2.763 645 2HB GLU 76 2HB GLU 76 -4.282 10.698 3.993 646 1HG GLU 76 1HG GLU 76 -6.384 11.835 3.009 647 2HG GLU 76 2HG GLU 76 -5.363 12.225 1.625 648 H LYS 77 H LYS 77 -1.965 13.724 5.010 649 HA LYS 77 HA LYS 77 -0.623 13.453 6.913 650 1HB LYS 77 1HB LYS 77 -3.451 13.543 7.824 651 2HB LYS 77 2HB LYS 77 -2.309 12.874 8.987 652 1HG LYS 77 1HG LYS 77 -0.859 14.898 8.622 653 2HG LYS 77 2HG LYS 77 -2.153 15.581 7.637 654 1HD LYS 77 1HD LYS 77 -3.607 14.947 9.792 655 2HD LYS 77 2HD LYS 77 -2.045 15.146 10.587 656 1HE LYS 77 1HE LYS 77 -3.223 17.223 8.710 657 2HE LYS 77 2HE LYS 77 -3.402 17.279 10.475 658 1HZ LYS 77 1HZ LYS 77 -0.995 17.145 10.687 659 2HZ LYS 77 2HZ LYS 77 -1.436 18.506 9.772 660 3HZ LYS 77 3HZ LYS 77 -0.826 17.122 9.000 661 H PHE 78 H PHE 78 -0.732 11.196 5.267 662 HA PHE 78 HA PHE 78 -1.567 8.749 6.483 663 1HB PHE 78 1HB PHE 78 0.248 9.589 4.323 664 2HB PHE 78 2HB PHE 78 0.748 8.088 5.092 665 HD1 PHE 78 HD1 PHE 78 -1.564 6.648 5.815 666 HD2 PHE 78 HD2 PHE 78 -1.021 9.205 2.398 667 HE1 PHE 78 HE1 PHE 78 -3.369 5.438 4.617 668 HE2 PHE 78 HE2 PHE 78 -2.823 7.987 1.202 669 HZ PHE 78 HZ PHE 78 -3.998 6.104 2.315 670 H SER 79 H SER 79 0.535 7.045 6.943 671 HA SER 79 HA SER 79 1.831 8.261 9.339 672 1HB SER 79 1HB SER 79 0.355 5.824 8.739 673 2HB SER 79 2HB SER 79 1.916 5.449 9.451 674 HG SER 79 HG SER 79 -0.212 6.989 10.479 675 HA PRO 80 HA PRO 80 5.835 7.289 7.837 676 1HB PRO 80 1HB PRO 80 6.985 5.534 9.587 677 2HB PRO 80 2HB PRO 80 6.764 7.262 9.923 678 1HG PRO 80 1HG PRO 80 5.090 4.945 10.779 679 2HG PRO 80 2HG PRO 80 5.636 6.346 11.719 680 1HD PRO 80 1HD PRO 80 3.160 6.212 10.730 681 2HD PRO 80 2HD PRO 80 4.041 7.751 10.809 682 H LEU 81 H LEU 81 3.666 4.541 8.258 683 HA LEU 81 HA LEU 81 5.408 2.933 6.433 684 1HB LEU 81 1HB LEU 81 3.306 2.347 8.507 685 2HB LEU 81 2HB LEU 81 3.573 1.189 7.198 686 HG LEU 81 HG LEU 81 4.949 0.645 9.192 687 1HD1 LEU 81 1HD1 LEU 81 6.884 1.641 7.126 688 2HD1 LEU 81 2HD1 LEU 81 5.715 0.394 6.688 689 3HD1 LEU 81 3HD1 LEU 81 6.870 0.102 7.990 690 1HD2 LEU 81 1HD2 LEU 81 6.500 3.178 8.644 691 2HD2 LEU 81 2HD2 LEU 81 6.607 2.112 10.045 692 3HD2 LEU 81 3HD2 LEU 81 5.187 3.135 9.821 693 H THR 82 H THR 82 3.426 5.269 5.714 694 HA THR 82 HA THR 82 1.900 3.651 3.736 695 HB THR 82 HB THR 82 0.636 6.107 4.881 696 HG1 THR 82 HG1 THR 82 0.821 3.629 6.303 697 1HG2 THR 82 1HG2 THR 82 -0.091 3.487 3.659 698 2HG2 THR 82 2HG2 THR 82 -0.809 5.077 3.419 699 3HG2 THR 82 3HG2 THR 82 -1.212 4.133 4.851 700 H SER 83 H SER 83 4.433 5.518 3.625 701 HA SER 83 HA SER 83 3.391 7.149 1.345 702 1HB SER 83 1HB SER 83 5.362 7.811 3.560 703 2HB SER 83 2HB SER 83 5.379 8.701 2.040 704 HG SER 83 HG SER 83 3.323 8.494 3.972 705 H ASN 84 H ASN 84 4.098 4.635 0.977 706 HA ASN 84 HA ASN 84 6.446 4.748 -0.794 707 1HB ASN 84 1HB ASN 84 6.934 4.144 1.836 708 2HB ASN 84 2HB ASN 84 6.577 2.539 1.198 709 1HD2 ASN 84 1HD2 ASN 84 9.236 4.212 1.923 710 2HD2 ASN 84 2HD2 ASN 84 10.239 3.826 0.610 711 H LEU 85 H LEU 85 4.394 2.430 1.056 712 HA LEU 85 HA LEU 85 3.956 0.549 -1.060 713 1HB LEU 85 1HB LEU 85 3.400 0.112 1.306 714 2HB LEU 85 2HB LEU 85 2.199 1.400 1.288 715 HG LEU 85 HG LEU 85 0.936 0.159 -0.465 716 1HD1 LEU 85 1HD1 LEU 85 1.591 -2.270 -0.780 717 2HD1 LEU 85 2HD1 LEU 85 3.118 -1.887 0.014 718 3HD1 LEU 85 3HD1 LEU 85 2.698 -1.107 -1.511 719 1HD2 LEU 85 1HD2 LEU 85 1.424 -1.760 1.802 720 2HD2 LEU 85 2HD2 LEU 85 -0.103 -1.292 1.054 721 3HD2 LEU 85 3HD2 LEU 85 0.730 -0.173 2.133 722 H ILE 86 H ILE 86 2.502 3.788 -0.411 723 HA ILE 86 HA ILE 86 0.218 3.428 -2.155 724 HB ILE 86 HB ILE 86 1.756 5.909 -1.301 725 1HG1 ILE 86 1HG1 ILE 86 -0.814 4.623 -0.308 726 2HG1 ILE 86 2HG1 ILE 86 0.730 4.632 0.542 727 1HG2 ILE 86 1HG2 ILE 86 -1.024 5.726 -2.517 728 2HG2 ILE 86 2HG2 ILE 86 0.411 6.242 -3.402 729 3HG2 ILE 86 3HG2 ILE 86 -0.179 7.199 -2.043 730 1HD1 ILE 86 1HD1 ILE 86 -1.088 6.972 -0.048 731 2HD1 ILE 86 2HD1 ILE 86 0.600 7.197 0.414 732 3HD1 ILE 86 3HD1 ILE 86 -0.519 6.403 1.523 733 H ASN 87 H ASN 87 3.541 4.686 -2.717 734 HA ASN 87 HA ASN 87 3.182 5.370 -5.495 735 1HB ASN 87 1HB ASN 87 5.145 5.989 -4.049 736 2HB ASN 87 2HB ASN 87 5.674 4.307 -4.104 737 1HD2 ASN 87 1HD2 ASN 87 7.343 4.068 -5.639 738 2HD2 ASN 87 2HD2 ASN 87 7.399 4.879 -7.129 739 H LEU 88 H LEU 88 4.229 2.310 -3.923 740 HA LEU 88 HA LEU 88 4.697 0.773 -6.296 741 1HB LEU 88 1HB LEU 88 3.981 0.215 -3.439 742 2HB LEU 88 2HB LEU 88 3.810 -1.109 -4.589 743 HG LEU 88 HG LEU 88 6.332 0.544 -4.424 744 1HD1 LEU 88 1HD1 LEU 88 5.609 -1.991 -2.921 745 2HD1 LEU 88 2HD1 LEU 88 5.994 -0.423 -2.213 746 3HD1 LEU 88 3HD1 LEU 88 7.244 -1.342 -3.050 747 1HD2 LEU 88 1HD2 LEU 88 7.284 -1.517 -5.462 748 2HD2 LEU 88 2HD2 LEU 88 6.022 -0.789 -6.456 749 3HD2 LEU 88 3HD2 LEU 88 5.667 -2.221 -5.489 750 H LEU 89 H LEU 89 1.681 1.319 -4.414 751 HA LEU 89 HA LEU 89 -0.035 -0.402 -5.931 752 1HB LEU 89 1HB LEU 89 -0.424 2.115 -4.312 753 2HB LEU 89 2HB LEU 89 -1.792 1.393 -5.162 754 HG LEU 89 HG LEU 89 0.004 -0.181 -3.303 755 1HD1 LEU 89 1HD1 LEU 89 -0.957 1.155 -1.704 756 2HD1 LEU 89 2HD1 LEU 89 -2.315 0.054 -1.931 757 3HD1 LEU 89 3HD1 LEU 89 -2.301 1.618 -2.748 758 1HD2 LEU 89 1HD2 LEU 89 -1.208 -1.573 -4.848 759 2HD2 LEU 89 2HD2 LEU 89 -2.692 -0.654 -4.600 760 3HD2 LEU 89 3HD2 LEU 89 -2.056 -1.667 -3.303 761 H ALA 90 H ALA 90 0.971 2.995 -6.515 762 HA ALA 90 HA ALA 90 -0.489 2.906 -9.129 763 1HB ALA 90 1HB ALA 90 0.768 5.217 -7.609 764 2HB ALA 90 2HB ALA 90 -0.935 4.767 -7.527 765 3HB ALA 90 3HB ALA 90 -0.250 5.350 -9.043 766 H GLU 91 H GLU 91 2.222 1.552 -8.531 767 HA GLU 91 HA GLU 91 4.059 3.225 -10.194 768 1HB GLU 91 1HB GLU 91 4.854 2.185 -8.079 769 2HB GLU 91 2HB GLU 91 4.470 0.592 -8.727 770 1HG GLU 91 1HG GLU 91 6.225 0.635 -10.244 771 2HG GLU 91 2HG GLU 91 6.249 2.397 -10.324 772 H ASN 92 H ASN 92 2.505 -0.031 -10.231 773 HA ASN 92 HA ASN 92 3.050 -0.104 -13.180 774 1HB ASN 92 1HB ASN 92 3.334 -2.249 -11.060 775 2HB ASN 92 2HB ASN 92 3.352 -2.599 -12.789 776 1HD2 ASN 92 1HD2 ASN 92 5.462 -2.091 -10.253 777 2HD2 ASN 92 2HD2 ASN 92 6.771 -1.439 -11.114 778 H GLY 93 H GLY 93 0.547 0.727 -11.708 779 1HA GLY 93 1HA GLY 93 -1.737 0.413 -12.200 780 2HA GLY 93 2HA GLY 93 -1.308 -1.021 -13.137 781 H ARG 94 H ARG 94 -0.716 -0.167 -9.679 782 HA ARG 94 HA ARG 94 -1.900 -2.829 -8.997 783 1HB ARG 94 1HB ARG 94 0.307 -1.120 -7.949 784 2HB ARG 94 2HB ARG 94 -0.557 -2.124 -6.784 785 1HG ARG 94 1HG ARG 94 0.266 -3.404 -9.350 786 2HG ARG 94 2HG ARG 94 1.532 -3.063 -8.170 787 1HD ARG 94 1HD ARG 94 0.644 -4.534 -6.592 788 2HD ARG 94 2HD ARG 94 -1.001 -4.393 -7.239 789 HE ARG 94 HE ARG 94 -0.438 -5.974 -8.934 790 1HH1 ARG 94 1HH1 ARG 94 1.520 -6.620 -6.490 791 2HH1 ARG 94 2HH1 ARG 94 2.923 -7.074 -7.399 792 1HH2 ARG 94 1HH2 ARG 94 1.708 -5.829 -10.399 793 2HH2 ARG 94 2HH2 ARG 94 3.029 -6.626 -9.612 794 H LEU 95 H LEU 95 -3.395 -0.072 -9.312 795 HA LEU 95 HA LEU 95 -4.470 0.077 -6.515 796 1HB LEU 95 1HB LEU 95 -4.230 1.966 -8.844 797 2HB LEU 95 2HB LEU 95 -5.528 2.224 -7.678 798 HG LEU 95 HG LEU 95 -2.606 1.925 -6.927 799 1HD1 LEU 95 1HD1 LEU 95 -2.716 3.993 -8.070 800 2HD1 LEU 95 2HD1 LEU 95 -2.934 4.431 -6.375 801 3HD1 LEU 95 3HD1 LEU 95 -4.330 4.346 -7.451 802 1HD2 LEU 95 1HD2 LEU 95 -3.909 1.329 -5.048 803 2HD2 LEU 95 2HD2 LEU 95 -5.152 2.522 -5.422 804 3HD2 LEU 95 3HD2 LEU 95 -3.587 3.045 -4.798 805 H THR 96 H THR 96 -5.149 -2.084 -8.434 806 HA THR 96 HA THR 96 -8.039 -1.489 -8.961 807 HB THR 96 HB THR 96 -7.829 -3.386 -10.565 808 HG1 THR 96 HG1 THR 96 -5.865 -4.375 -10.825 809 1HG2 THR 96 1HG2 THR 96 -5.949 -2.276 -12.007 810 2HG2 THR 96 2HG2 THR 96 -5.924 -1.066 -10.723 811 3HG2 THR 96 3HG2 THR 96 -7.405 -1.351 -11.638 812 H ASN 97 H ASN 97 -5.795 -4.129 -7.917 813 HA ASN 97 HA ASN 97 -7.993 -5.266 -6.244 814 1HB ASN 97 1HB ASN 97 -5.293 -6.315 -7.175 815 2HB ASN 97 2HB ASN 97 -6.416 -7.226 -6.161 816 1HD2 ASN 97 1HD2 ASN 97 -5.709 -6.282 -9.461 817 2HD2 ASN 97 2HD2 ASN 97 -7.071 -7.013 -10.164 818 H THR 98 H THR 98 -6.513 -2.743 -5.470 819 HA THR 98 HA THR 98 -4.445 -3.320 -3.605 820 HB THR 98 HB THR 98 -5.006 -1.084 -4.565 821 HG1 THR 98 HG1 THR 98 -4.920 -1.200 -1.716 822 1HG2 THR 98 1HG2 THR 98 -7.257 -1.169 -2.539 823 2HG2 THR 98 2HG2 THR 98 -7.433 -1.131 -4.294 824 3HG2 THR 98 3HG2 THR 98 -6.760 0.261 -3.445 825 HA PRO 99 HA PRO 99 -7.913 -3.506 -0.206 826 1HB PRO 99 1HB PRO 99 -10.118 -4.976 -0.956 827 2HB PRO 99 2HB PRO 99 -10.066 -3.199 -0.990 828 1HG PRO 99 1HG PRO 99 -9.599 -5.140 -3.218 829 2HG PRO 99 2HG PRO 99 -10.594 -3.670 -3.201 830 1HD PRO 99 1HD PRO 99 -8.198 -3.620 -4.290 831 2HD PRO 99 2HD PRO 99 -8.746 -2.262 -3.301 832 H ALA 100 H ALA 100 -7.658 -6.075 -2.717 833 HA ALA 100 HA ALA 100 -7.636 -8.352 -0.963 834 1HB ALA 100 1HB ALA 100 -6.544 -7.694 -3.683 835 2HB ALA 100 2HB ALA 100 -7.732 -8.913 -3.225 836 3HB ALA 100 3HB ALA 100 -6.019 -9.193 -2.914 837 H VAL 101 H VAL 101 -5.059 -6.012 -1.802 838 HA VAL 101 HA VAL 101 -2.865 -7.502 -0.619 839 HB VAL 101 HB VAL 101 -3.213 -4.500 -0.980 840 1HG1 VAL 101 1HG1 VAL 101 -1.274 -4.615 0.253 841 2HG1 VAL 101 2HG1 VAL 101 -0.587 -4.940 -1.339 842 3HG1 VAL 101 3HG1 VAL 101 -0.934 -6.275 -0.239 843 1HG2 VAL 101 1HG2 VAL 101 -3.294 -6.422 -2.965 844 2HG2 VAL 101 2HG2 VAL 101 -1.585 -5.992 -2.933 845 3HG2 VAL 101 3HG2 VAL 101 -2.803 -4.747 -3.203 846 H ILE 102 H ILE 102 -5.330 -5.311 0.758 847 HA ILE 102 HA ILE 102 -3.902 -5.009 3.311 848 HB ILE 102 HB ILE 102 -6.780 -4.420 2.519 849 1HG1 ILE 102 1HG1 ILE 102 -4.379 -2.571 2.690 850 2HG1 ILE 102 2HG1 ILE 102 -5.013 -3.230 1.184 851 1HG2 ILE 102 1HG2 ILE 102 -5.096 -3.628 4.910 852 2HG2 ILE 102 2HG2 ILE 102 -6.634 -4.493 4.917 853 3HG2 ILE 102 3HG2 ILE 102 -6.583 -2.790 4.463 854 1HD1 ILE 102 1HD1 ILE 102 -6.033 -1.097 1.372 855 2HD1 ILE 102 2HD1 ILE 102 -6.355 -1.314 3.093 856 3HD1 ILE 102 3HD1 ILE 102 -7.276 -2.231 1.900 857 H SER 103 H SER 103 -6.518 -7.138 2.073 858 HA SER 103 HA SER 103 -7.376 -8.222 4.586 859 1HB SER 103 1HB SER 103 -8.546 -8.648 2.463 860 2HB SER 103 2HB SER 103 -7.146 -9.520 1.842 861 HG SER 103 HG SER 103 -8.626 -10.993 2.659 862 H ALA 104 H ALA 104 -4.783 -9.377 2.360 863 HA ALA 104 HA ALA 104 -3.896 -11.580 3.976 864 1HB ALA 104 1HB ALA 104 -3.001 -11.462 1.795 865 2HB ALA 104 2HB ALA 104 -1.630 -10.971 2.790 866 3HB ALA 104 3HB ALA 104 -2.595 -9.754 1.954 867 H PHE 105 H PHE 105 -3.216 -8.078 4.218 868 HA PHE 105 HA PHE 105 -1.002 -8.105 6.006 869 1HB PHE 105 1HB PHE 105 -2.235 -6.148 4.840 870 2HB PHE 105 2HB PHE 105 -3.346 -6.195 6.208 871 HD1 PHE 105 HD1 PHE 105 -0.395 -4.751 4.984 872 HD2 PHE 105 HD2 PHE 105 -2.115 -6.290 8.602 873 HE1 PHE 105 HE1 PHE 105 1.204 -3.414 6.317 874 HE2 PHE 105 HE2 PHE 105 -0.520 -4.954 9.929 875 HZ PHE 105 HZ PHE 105 1.139 -3.524 8.787 876 H SER 106 H SER 106 -4.522 -8.358 6.726 877 HA SER 106 HA SER 106 -4.190 -8.350 9.609 878 1HB SER 106 1HB SER 106 -6.312 -8.110 8.019 879 2HB SER 106 2HB SER 106 -6.419 -9.852 8.260 880 HG SER 106 HG SER 106 -7.581 -8.724 9.858 881 H THR 107 H THR 107 -4.334 -11.020 7.208 882 HA THR 107 HA THR 107 -4.124 -13.099 9.259 883 HB THR 107 HB THR 107 -3.181 -13.697 6.510 884 HG1 THR 107 HG1 THR 107 -5.133 -13.269 5.561 885 1HG2 THR 107 1HG2 THR 107 -5.191 -14.780 8.475 886 2HG2 THR 107 2HG2 THR 107 -3.743 -15.559 7.836 887 3HG2 THR 107 3HG2 THR 107 -5.158 -15.348 6.806 888 H MET 108 H MET 108 -1.765 -11.325 7.209 889 HA MET 108 HA MET 108 0.500 -12.974 8.022 890 1HB MET 108 1HB MET 108 0.291 -10.156 6.908 891 2HB MET 108 2HB MET 108 1.804 -11.039 7.095 892 1HG MET 108 1HG MET 108 -0.551 -12.042 5.475 893 2HG MET 108 2HG MET 108 0.835 -11.202 4.782 894 1HE MET 108 1HE MET 108 0.363 -15.527 5.843 895 2HE MET 108 2HE MET 108 -0.719 -14.365 5.079 896 3HE MET 108 3HE MET 108 -0.416 -14.268 6.811 897 H MET 109 H MET 109 -1.026 -9.982 9.297 898 HA MET 109 HA MET 109 1.026 -9.276 11.182 899 1HB MET 109 1HB MET 109 -0.954 -7.871 10.599 900 2HB MET 109 2HB MET 109 -2.005 -9.018 11.429 901 1HG MET 109 1HG MET 109 0.317 -7.944 12.964 902 2HG MET 109 2HG MET 109 -1.023 -6.840 12.658 903 1HE MET 109 1HE MET 109 -1.510 -6.360 14.680 904 2HE MET 109 2HE MET 109 -0.834 -7.419 15.916 905 3HE MET 109 3HE MET 109 -2.582 -7.249 15.771 906 H SER 110 H SER 110 -1.749 -11.586 11.489 907 HA SER 110 HA SER 110 -1.363 -12.221 14.260 908 1HB SER 110 1HB SER 110 -2.597 -14.250 13.753 909 2HB SER 110 2HB SER 110 -3.255 -12.961 12.749 910 HG SER 110 HG SER 110 -2.868 -14.790 11.492 911 H VAL 111 H VAL 111 0.444 -13.352 11.391 912 HA VAL 111 HA VAL 111 1.905 -15.395 12.912 913 HB VAL 111 HB VAL 111 2.465 -14.116 10.209 914 1HG1 VAL 111 1HG1 VAL 111 4.452 -15.227 10.966 915 2HG1 VAL 111 2HG1 VAL 111 3.664 -16.334 9.843 916 3HG1 VAL 111 3HG1 VAL 111 3.529 -16.598 11.580 917 1HG2 VAL 111 1HG2 VAL 111 1.008 -15.620 9.260 918 2HG2 VAL 111 2HG2 VAL 111 0.238 -15.514 10.842 919 3HG2 VAL 111 3HG2 VAL 111 1.325 -16.855 10.480 920 H HIS 112 H HIS 112 2.244 -11.922 12.694 921 HA HIS 112 HA HIS 112 5.145 -12.001 13.173 922 1HB HIS 112 1HB HIS 112 5.038 -9.838 12.452 923 2HB HIS 112 2HB HIS 112 3.415 -10.258 11.935 924 HD1 HIS 112 HD1 HIS 112 1.588 -9.898 14.126 925 HD2 HIS 112 HD2 HIS 112 5.023 -7.623 13.956 926 HE1 HIS 112 HE1 HIS 112 1.178 -7.911 15.622 927 H ARG 113 H ARG 113 2.157 -11.915 15.086 928 HA ARG 113 HA ARG 113 3.673 -11.034 17.496 929 1HB ARG 113 1HB ARG 113 1.164 -10.497 16.599 930 2HB ARG 113 2HB ARG 113 0.821 -11.863 17.661 931 1HG ARG 113 1HG ARG 113 1.383 -10.707 19.556 932 2HG ARG 113 2HG ARG 113 2.662 -9.802 18.748 933 1HD ARG 113 1HD ARG 113 1.180 -8.058 18.875 934 2HD ARG 113 2HD ARG 113 0.410 -8.838 17.479 935 HE ARG 113 HE ARG 113 -1.001 -10.104 19.156 936 1HH1 ARG 113 1HH2 ARG 113 -1.192 -6.934 19.136 937 2HH1 ARG 113 2HH2 ARG 113 -1.462 -6.673 20.827 938 1HH2 ARG 113 1HH1 ARG 113 -0.563 -9.896 21.740 939 2HH2 ARG 113 2HH1 ARG 113 -1.105 -8.349 22.301 940 H GLY 114 H GLY 114 2.066 -13.965 16.168 941 1HA GLY 114 1HA GLY 114 2.669 -15.443 18.661 942 2HA GLY 114 2HA GLY 114 1.724 -16.049 17.303 943 H GLU 115 H GLU 115 3.791 -15.270 15.267 944 HA GLU 115 HA GLU 115 5.589 -17.600 15.721 945 1HB GLU 115 1HB GLU 115 4.161 -16.818 13.570 946 2HB GLU 115 2HB GLU 115 5.669 -15.972 13.221 947 1HG GLU 115 1HG GLU 115 6.671 -18.376 13.926 948 2HG GLU 115 2HG GLU 115 5.108 -18.891 13.291 949 H VAL 116 H VAL 116 6.484 -15.796 17.493 950 HA VAL 116 HA VAL 116 8.858 -14.547 16.149 951 HB VAL 116 HB VAL 116 7.151 -12.869 16.741 952 1HG1 VAL 116 1HG1 VAL 116 7.093 -14.446 19.238 953 2HG1 VAL 116 2HG1 VAL 116 5.832 -13.467 18.493 954 3HG1 VAL 116 3HG1 VAL 116 7.077 -12.698 19.477 955 1HG2 VAL 116 1HG2 VAL 116 9.197 -12.512 18.891 956 2HG2 VAL 116 2HG2 VAL 116 8.648 -11.370 17.664 957 3HG2 VAL 116 3HG2 VAL 116 9.770 -12.659 17.229 958 HA PRO 117 HA PRO 117 9.832 -17.277 19.891 959 1HB PRO 117 1HB PRO 117 11.086 -19.339 18.603 960 2HB PRO 117 2HB PRO 117 9.342 -19.325 18.934 961 1HG PRO 117 1HG PRO 117 10.793 -18.728 16.410 962 2HG PRO 117 2HG PRO 117 9.255 -19.569 16.657 963 1HD PRO 117 1HD PRO 117 9.456 -16.970 15.825 964 2HD PRO 117 2HD PRO 117 8.053 -17.628 16.696 965 H CYS 118 H CYS 118 12.151 -17.827 20.606 966 HA CYS 118 HA CYS 118 14.276 -16.610 18.908 967 1HB CYS 118 1HB CYS 118 13.208 -15.642 21.542 968 2HB CYS 118 2HB CYS 118 14.919 -15.413 21.181 969 HG CYS 118 HG CYS 118 12.881 -13.599 20.173 970 H THR 119 H THR 119 15.339 -18.698 18.790 971 HA THR 119 HA THR 119 16.502 -19.623 21.391 972 HB THR 119 HB THR 119 15.367 -21.364 19.178 973 HG1 THR 119 HG1 THR 119 13.643 -20.491 20.166 974 1HG2 THR 119 1HG2 THR 119 16.739 -21.868 21.792 975 2HG2 THR 119 2HG2 THR 119 16.916 -22.714 20.254 976 3HG2 THR 119 3HG2 THR 119 15.493 -22.995 21.257 977 H VAL 120 H VAL 120 17.882 -17.956 19.509 978 HA VAL 120 HA VAL 120 19.982 -19.864 18.585 979 HB VAL 120 HB VAL 120 18.437 -19.438 16.710 980 1HG1 VAL 120 1HG1 VAL 120 19.055 -16.540 17.336 981 2HG1 VAL 120 2HG1 VAL 120 17.476 -17.324 17.330 982 3HG1 VAL 120 3HG1 VAL 120 18.337 -17.065 15.813 983 1HG2 VAL 120 1HG2 VAL 120 21.122 -19.336 16.592 984 2HG2 VAL 120 2HG2 VAL 120 20.763 -17.715 15.995 985 3HG2 VAL 120 3HG2 VAL 120 20.111 -19.127 15.162 986 1H GLN 1 1H GLN 1 8.749 -14.393 -20.152 987 2H GLN 1 2H GLN 1 9.812 -14.437 -21.476 988 3H GLN 1 3H GLN 1 8.418 -15.409 -21.469 989 HA GLN 1 HA GLN 1 8.333 -12.437 -21.432 990 1HB GLN 1 1HB GLN 1 8.592 -14.499 -23.596 991 2HB GLN 1 2HB GLN 1 7.634 -13.054 -23.918 992 1HG GLN 1 1HG GLN 1 9.720 -11.802 -22.908 993 2HG GLN 1 2HG GLN 1 10.569 -13.287 -23.336 994 1HE2 GLN 1 1HE2 GLN 1 10.375 -13.987 -25.717 995 2HE2 GLN 1 2HE2 GLN 1 10.176 -12.771 -26.885 996 H LYS 2 H LYS 2 6.696 -13.861 -19.676 997 HA LYS 2 HA LYS 2 4.056 -13.781 -21.090 998 1HB LYS 2 1HB LYS 2 5.417 -15.965 -19.595 999 2HB LYS 2 2HB LYS 2 3.693 -15.762 -19.277 1000 1HG LYS 2 1HG LYS 2 3.086 -16.306 -21.439 1001 2HG LYS 2 2HG LYS 2 4.603 -15.723 -22.124 1002 1HD LYS 2 1HD LYS 2 5.760 -17.669 -21.009 1003 2HD LYS 2 2HD LYS 2 4.166 -18.290 -20.577 1004 1HE LYS 2 1HE LYS 2 3.702 -18.951 -22.723 1005 2HE LYS 2 2HE LYS 2 4.522 -17.546 -23.434 1006 1HZ LYS 2 1HZ LYS 2 6.649 -18.514 -22.739 1007 2HZ LYS 2 2HZ LYS 2 5.825 -19.526 -23.828 1008 3HZ LYS 2 3HZ LYS 2 5.839 -19.891 -22.169 1009 H THR 3 H THR 3 5.270 -14.376 -17.728 1010 HA THR 3 HA THR 3 3.551 -12.080 -16.836 1011 HB THR 3 HB THR 3 4.089 -14.692 -15.389 1012 HG1 THR 3 HG1 THR 3 2.167 -15.375 -16.173 1013 1HG2 THR 3 1HG2 THR 3 2.061 -13.940 -14.091 1014 2HG2 THR 3 2HG2 THR 3 2.175 -12.393 -14.931 1015 3HG2 THR 3 3HG2 THR 3 3.483 -12.921 -13.871 1016 H GLY 4 H GLY 4 5.707 -10.852 -17.018 1017 1HA GLY 4 1HA GLY 4 7.980 -11.581 -15.441 1018 2HA GLY 4 2HA GLY 4 7.627 -9.952 -16.021 1019 H THR 5 H THR 5 7.587 -12.041 -13.245 1020 HA THR 5 HA THR 5 6.173 -9.911 -11.669 1021 HB THR 5 HB THR 5 6.014 -12.094 -10.110 1022 HG1 THR 5 HG1 THR 5 5.914 -13.925 -11.346 1023 1HG2 THR 5 1HG2 THR 5 3.990 -11.111 -10.699 1024 2HG2 THR 5 2HG2 THR 5 3.883 -12.646 -11.561 1025 3HG2 THR 5 3HG2 THR 5 4.343 -11.178 -12.426 1026 H ALA 6 H ALA 6 7.233 -9.163 -9.750 1027 HA ALA 6 HA ALA 6 9.822 -10.452 -9.011 1028 1HB ALA 6 1HB ALA 6 9.474 -7.480 -9.509 1029 2HB ALA 6 2HB ALA 6 10.089 -8.593 -10.731 1030 3HB ALA 6 3HB ALA 6 10.985 -8.347 -9.232 1031 H GLU 7 H GLU 7 10.621 -8.511 -7.098 1032 HA GLU 7 HA GLU 7 8.275 -8.341 -5.241 1033 1HB GLU 7 1HB GLU 7 11.131 -9.206 -4.662 1034 2HB GLU 7 2HB GLU 7 9.852 -9.048 -3.457 1035 1HG GLU 7 1HG GLU 7 8.591 -10.831 -4.413 1036 2HG GLU 7 2HG GLU 7 9.572 -10.836 -5.878 1037 H VAL 8 H VAL 8 9.007 -6.153 -6.803 1038 HA VAL 8 HA VAL 8 11.054 -4.425 -5.925 1039 HB VAL 8 HB VAL 8 9.580 -2.580 -6.712 1040 1HG1 VAL 8 1HG1 VAL 8 10.414 -3.335 -8.669 1041 2HG1 VAL 8 2HG1 VAL 8 8.855 -4.124 -8.905 1042 3HG1 VAL 8 3HG1 VAL 8 10.201 -5.023 -8.204 1043 1HG2 VAL 8 1HG2 VAL 8 7.289 -3.007 -7.365 1044 2HG2 VAL 8 2HG2 VAL 8 7.479 -3.541 -5.698 1045 3HG2 VAL 8 3HG2 VAL 8 7.450 -4.724 -7.003 1046 H SER 9 H SER 9 7.956 -5.123 -4.302 1047 HA SER 9 HA SER 9 8.221 -2.943 -2.363 1048 1HB SER 9 1HB SER 9 6.398 -4.210 -1.190 1049 2HB SER 9 2HB SER 9 6.042 -3.944 -2.894 1050 HG SER 9 HG SER 9 6.942 -6.291 -1.597 1051 H SER 10 H SER 10 9.145 -6.412 -2.422 1052 HA SER 10 HA SER 10 10.039 -6.442 0.364 1053 1HB SER 10 1HB SER 10 9.375 -8.446 -1.045 1054 2HB SER 10 2HB SER 10 10.874 -8.237 -1.944 1055 HG SER 10 HG SER 10 11.154 -9.720 -0.253 1056 H ILE 11 H ILE 11 11.689 -5.993 -2.802 1057 HA ILE 11 HA ILE 11 14.337 -5.748 -1.599 1058 HB ILE 11 HB ILE 11 13.813 -6.352 -4.005 1059 1HG1 ILE 11 1HG1 ILE 11 15.615 -3.935 -3.713 1060 2HG1 ILE 11 2HG1 ILE 11 16.065 -5.564 -3.209 1061 1HG2 ILE 11 1HG2 ILE 11 13.469 -3.377 -4.423 1062 2HG2 ILE 11 2HG2 ILE 11 12.098 -4.469 -4.248 1063 3HG2 ILE 11 3HG2 ILE 11 13.220 -4.675 -5.590 1064 1HD1 ILE 11 1HD1 ILE 11 15.798 -4.435 -5.944 1065 2HD1 ILE 11 2HD1 ILE 11 15.214 -6.086 -5.727 1066 3HD1 ILE 11 3HD1 ILE 11 16.889 -5.684 -5.343 1067 H LEU 12 H LEU 12 11.741 -3.407 -2.394 1068 HA LEU 12 HA LEU 12 13.317 -1.022 -1.927 1069 1HB LEU 12 1HB LEU 12 10.380 -1.715 -1.929 1070 2HB LEU 12 2HB LEU 12 10.903 -0.108 -1.424 1071 HG LEU 12 HG LEU 12 11.839 -1.340 -4.019 1072 1HD1 LEU 12 1HD1 LEU 12 9.283 -1.164 -3.813 1073 2HD1 LEU 12 2HD1 LEU 12 10.025 -0.326 -5.177 1074 3HD1 LEU 12 3HD1 LEU 12 9.521 0.582 -3.751 1075 1HD2 LEU 12 1HD2 LEU 12 12.514 0.858 -4.556 1076 2HD2 LEU 12 2HD2 LEU 12 12.927 0.711 -2.848 1077 3HD2 LEU 12 3HD2 LEU 12 11.467 1.574 -3.330 1078 H GLU 13 H GLU 13 11.416 -3.153 0.260 1079 HA GLU 13 HA GLU 13 11.478 -1.495 2.593 1080 1HB GLU 13 1HB GLU 13 10.241 -3.700 2.209 1081 2HB GLU 13 2HB GLU 13 11.766 -4.516 2.556 1082 1HG GLU 13 1HG GLU 13 10.845 -2.440 4.493 1083 2HG GLU 13 2HG GLU 13 9.994 -3.985 4.488 1084 H GLU 14 H GLU 14 13.936 -3.794 1.324 1085 HA GLU 14 HA GLU 14 15.739 -3.675 3.558 1086 1HB GLU 14 1HB GLU 14 16.058 -4.171 0.594 1087 2HB GLU 14 2HB GLU 14 17.464 -4.168 1.659 1088 1HG GLU 14 1HG GLU 14 14.998 -5.866 2.131 1089 2HG GLU 14 2HG GLU 14 16.452 -6.450 1.319 1090 H ARG 15 H ARG 15 15.422 -1.529 0.694 1091 HA ARG 15 HA ARG 15 17.747 0.080 1.133 1092 1HB ARG 15 1HB ARG 15 15.881 0.014 -0.765 1093 2HB ARG 15 2HB ARG 15 15.182 1.323 0.189 1094 1HG ARG 15 1HG ARG 15 16.626 2.359 -1.419 1095 2HG ARG 15 2HG ARG 15 17.472 2.431 0.127 1096 1HD ARG 15 1HD ARG 15 19.030 0.809 -0.493 1097 2HD ARG 15 2HD ARG 15 17.933 0.065 -1.672 1098 HE ARG 15 HE ARG 15 19.416 2.616 -2.088 1099 1HH1 ARG 15 1HH2 ARG 15 19.949 0.329 -3.878 1100 2HH1 ARG 15 2HH2 ARG 15 18.925 0.653 -5.238 1101 1HH2 ARG 15 1HH1 ARG 15 16.957 2.950 -3.542 1102 2HH2 ARG 15 2HH1 ARG 15 17.231 2.139 -5.046 1103 H ILE 16 H ILE 16 14.518 0.244 2.687 1104 HA ILE 16 HA ILE 16 15.106 2.788 4.039 1105 HB ILE 16 HB ILE 16 12.991 0.665 4.577 1106 1HG1 ILE 16 1HG1 ILE 16 12.563 3.265 3.117 1107 2HG1 ILE 16 2HG1 ILE 16 13.152 1.850 2.247 1108 1HG2 ILE 16 1HG2 ILE 16 11.990 2.119 6.050 1109 2HG2 ILE 16 2HG2 ILE 16 12.573 3.549 5.199 1110 3HG2 ILE 16 3HG2 ILE 16 13.654 2.660 6.270 1111 1HD1 ILE 16 1HD1 ILE 16 11.205 0.593 2.745 1112 2HD1 ILE 16 2HD1 ILE 16 10.599 2.194 2.324 1113 3HD1 ILE 16 3HD1 ILE 16 10.709 1.710 4.017 1114 H LEU 17 H LEU 17 15.183 -0.687 4.979 1115 HA LEU 17 HA LEU 17 16.623 0.147 7.479 1116 1HB LEU 17 1HB LEU 17 14.629 -2.043 6.864 1117 2HB LEU 17 2HB LEU 17 15.628 -2.073 8.319 1118 HG LEU 17 HG LEU 17 14.138 0.441 7.682 1119 1HD1 LEU 17 1HD1 LEU 17 12.931 -2.182 8.466 1120 2HD1 LEU 17 2HD1 LEU 17 12.256 -0.890 7.474 1121 3HD1 LEU 17 3HD1 LEU 17 12.308 -0.719 9.228 1122 1HD2 LEU 17 1HD2 LEU 17 15.252 -0.999 10.060 1123 2HD2 LEU 17 2HD2 LEU 17 13.890 0.094 10.310 1124 3HD2 LEU 17 3HD2 LEU 17 15.394 0.702 9.616 1125 H GLY 18 H GLY 18 18.749 -0.081 6.419 1126 1HA GLY 18 1HA GLY 18 19.402 -2.898 5.644 1127 2HA GLY 18 2HA GLY 18 20.219 -1.485 4.974 1128 H ALA 19 H ALA 19 21.886 -0.469 6.211 1129 HA ALA 19 HA ALA 19 22.437 -1.596 8.921 1130 1HB ALA 19 1HB ALA 19 24.729 -2.100 8.241 1131 2HB ALA 19 2HB ALA 19 24.436 -1.415 6.642 1132 3HB ALA 19 3HB ALA 19 23.618 -2.900 7.128 1133 H ASP 20 H ASP 20 21.814 0.609 9.674 1134 HA ASP 20 HA ASP 20 24.023 2.582 9.265 1135 1HB ASP 20 1HB ASP 20 21.735 2.778 7.885 1136 2HB ASP 20 2HB ASP 20 21.190 3.529 9.385 1137 H THR 21 H THR 21 24.667 3.473 11.248 1138 HA THR 21 HA THR 21 22.707 3.475 13.502 1139 HB THR 21 HB THR 21 24.509 2.469 14.925 1140 HG1 THR 21 HG1 THR 21 26.339 2.924 13.838 1141 1HG2 THR 21 1HG2 THR 21 22.709 1.151 13.594 1142 2HG2 THR 21 2HG2 THR 21 24.073 0.255 14.263 1143 3HG2 THR 21 3HG2 THR 21 24.049 0.675 12.550 1144 H SER 22 H SER 22 23.456 5.796 12.070 1145 HA SER 22 HA SER 22 25.136 7.201 14.108 1146 1HB SER 22 1HB SER 22 25.544 6.842 11.174 1147 2HB SER 22 2HB SER 22 25.929 8.423 11.845 1148 HG SER 22 HG SER 22 27.703 6.949 11.908 1149 H VAL 23 H VAL 23 23.182 8.252 14.928 1150 HA VAL 23 HA VAL 23 21.873 10.115 12.969 1151 HB VAL 23 HB VAL 23 20.787 8.751 15.460 1152 1HG1 VAL 23 1HG1 VAL 23 19.764 10.960 15.067 1153 2HG1 VAL 23 2HG1 VAL 23 18.612 9.671 14.720 1154 3HG1 VAL 23 3HG1 VAL 23 19.421 10.511 13.397 1155 1HG2 VAL 23 1HG2 VAL 23 21.102 7.197 13.579 1156 2HG2 VAL 23 2HG2 VAL 23 20.240 8.300 12.507 1157 3HG2 VAL 23 3HG2 VAL 23 19.384 7.506 13.828 1158 H ASP 24 H ASP 24 22.504 12.236 13.402 1159 HA ASP 24 HA ASP 24 22.714 13.070 16.266 1160 1HB ASP 24 1HB ASP 24 24.917 12.419 14.992 1161 2HB ASP 24 2HB ASP 24 24.700 13.975 14.192 1162 H LEU 25 H LEU 25 21.911 15.196 16.613 1163 HA LEU 25 HA LEU 25 21.274 16.827 14.181 1164 1HB LEU 25 1HB LEU 25 19.394 15.351 15.251 1165 2HB LEU 25 2HB LEU 25 19.398 16.571 16.525 1166 HG LEU 25 HG LEU 25 19.330 17.540 13.705 1167 1HD1 LEU 25 1HD1 LEU 25 16.819 17.310 13.738 1168 2HD1 LEU 25 2HD1 LEU 25 16.991 16.251 15.138 1169 3HD1 LEU 25 3HD1 LEU 25 17.677 15.777 13.583 1170 1HD2 LEU 25 1HD2 LEU 25 19.294 19.290 15.246 1171 2HD2 LEU 25 2HD2 LEU 25 18.353 18.371 16.420 1172 3HD2 LEU 25 3HD2 LEU 25 17.569 19.035 14.986 Start of MODEL 18 1 1H PHE 1 1H PHE 1 -19.040 -4.338 11.813 2 2H PHE 1 2H PHE 1 -20.595 -4.857 12.259 3 3H PHE 1 3H PHE 1 -19.590 -5.870 11.336 4 HA PHE 1 HA PHE 1 -18.080 -6.165 13.165 5 1HB PHE 1 1HB PHE 1 -18.869 -3.651 13.766 6 2HB PHE 1 2HB PHE 1 -19.835 -4.542 14.943 7 HD1 PHE 1 HD1 PHE 1 -18.418 -6.595 16.063 8 HD2 PHE 1 HD2 PHE 1 -16.784 -2.940 14.506 9 HE1 PHE 1 HE1 PHE 1 -16.413 -6.883 17.493 10 HE2 PHE 1 HE2 PHE 1 -14.778 -3.228 15.936 11 HZ PHE 1 HZ PHE 1 -14.593 -5.199 17.429 12 H ALA 2 H ALA 2 -20.043 -7.829 12.159 13 HA ALA 2 HA ALA 2 -21.463 -8.770 14.632 14 1HB ALA 2 1HB ALA 2 -22.670 -9.327 11.985 15 2HB ALA 2 2HB ALA 2 -22.630 -7.623 12.439 16 3HB ALA 2 3HB ALA 2 -23.440 -8.794 13.480 17 H LYS 3 H LYS 3 -20.699 -9.901 11.270 18 HA LYS 3 HA LYS 3 -19.534 -12.380 12.480 19 1HB LYS 3 1HB LYS 3 -21.927 -12.680 11.804 20 2HB LYS 3 2HB LYS 3 -21.484 -12.227 10.157 21 1HG LYS 3 1HG LYS 3 -19.976 -14.129 9.987 22 2HG LYS 3 2HG LYS 3 -20.261 -14.548 11.677 23 1HD LYS 3 1HD LYS 3 -22.461 -15.255 11.265 24 2HD LYS 3 2HD LYS 3 -22.567 -14.356 9.751 25 1HE LYS 3 1HE LYS 3 -20.532 -16.562 10.016 26 2HE LYS 3 2HE LYS 3 -22.222 -16.956 9.641 27 1HZ LYS 3 1HZ LYS 3 -22.155 -15.305 7.856 28 2HZ LYS 3 2HZ LYS 3 -21.002 -16.528 7.608 29 3HZ LYS 3 3HZ LYS 3 -20.519 -15.005 8.182 30 H LEU 4 H LEU 4 -17.630 -13.044 11.412 31 HA LEU 4 HA LEU 4 -16.956 -11.606 8.860 32 1HB LEU 4 1HB LEU 4 -15.495 -12.176 11.404 33 2HB LEU 4 2HB LEU 4 -14.555 -12.191 9.912 34 HG LEU 4 HG LEU 4 -16.449 -9.920 10.411 35 1HD1 LEU 4 1HD1 LEU 4 -14.246 -8.812 11.380 36 2HD1 LEU 4 2HD1 LEU 4 -13.870 -10.473 11.836 37 3HD1 LEU 4 3HD1 LEU 4 -15.338 -9.704 12.440 38 1HD2 LEU 4 1HD2 LEU 4 -13.835 -10.350 8.947 39 2HD2 LEU 4 2HD2 LEU 4 -14.522 -8.746 9.199 40 3HD2 LEU 4 3HD2 LEU 4 -15.408 -9.945 8.259 41 H VAL 5 H VAL 5 -15.427 -12.897 7.424 42 HA VAL 5 HA VAL 5 -15.800 -15.854 7.802 43 HB VAL 5 HB VAL 5 -15.817 -14.173 5.268 44 1HG1 VAL 5 1HG1 VAL 5 -15.063 -16.221 4.490 45 2HG1 VAL 5 2HG1 VAL 5 -16.801 -16.515 4.469 46 3HG1 VAL 5 3HG1 VAL 5 -15.822 -17.118 5.806 47 1HG2 VAL 5 1HG2 VAL 5 -18.239 -15.287 5.313 48 2HG2 VAL 5 2HG2 VAL 5 -17.918 -13.775 6.163 49 3HG2 VAL 5 3HG2 VAL 5 -17.944 -15.297 7.052 50 H ARG 6 H ARG 6 -13.803 -16.865 8.050 51 HA ARG 6 HA ARG 6 -11.473 -15.751 6.530 52 1HB ARG 6 1HB ARG 6 -11.881 -16.227 9.458 53 2HB ARG 6 2HB ARG 6 -10.274 -16.519 8.791 54 1HG ARG 6 1HG ARG 6 -10.051 -14.278 8.049 55 2HG ARG 6 2HG ARG 6 -11.777 -13.960 8.233 56 1HD ARG 6 1HD ARG 6 -11.097 -13.008 10.217 57 2HD ARG 6 2HD ARG 6 -11.127 -14.689 10.787 58 HE ARG 6 HE ARG 6 -8.749 -14.747 10.642 59 1HH1 ARG 6 1HH1 ARG 6 -9.350 -11.694 11.167 60 2HH1 ARG 6 2HH1 ARG 6 -8.169 -10.993 10.111 61 1HH2 ARG 6 1HH2 ARG 6 -7.536 -13.953 8.419 62 2HH2 ARG 6 2HH2 ARG 6 -7.141 -12.272 8.556 63 HA PRO 7 HA PRO 7 -11.773 -20.260 5.788 64 1HB PRO 7 1HB PRO 7 -10.569 -20.208 3.330 65 2HB PRO 7 2HB PRO 7 -12.297 -19.878 3.567 66 1HG PRO 7 1HG PRO 7 -10.045 -17.974 3.169 67 2HG PRO 7 2HG PRO 7 -11.697 -17.914 2.538 68 1HD PRO 7 1HD PRO 7 -10.847 -16.432 4.660 69 2HD PRO 7 2HD PRO 7 -12.531 -16.960 4.444 70 HA PRO 8 HA PRO 8 -7.614 -21.191 6.935 71 1HB PRO 8 1HB PRO 8 -7.228 -23.678 5.863 72 2HB PRO 8 2HB PRO 8 -8.258 -23.386 7.279 73 1HG PRO 8 1HG PRO 8 -9.024 -23.816 4.437 74 2HG PRO 8 2HG PRO 8 -9.812 -24.381 5.918 75 1HD PRO 8 1HD PRO 8 -10.693 -22.252 4.452 76 2HD PRO 8 2HD PRO 8 -10.975 -22.435 6.197 77 H VAL 9 H VAL 9 -6.991 -19.385 5.245 78 HA VAL 9 HA VAL 9 -5.271 -20.642 3.137 79 HB VAL 9 HB VAL 9 -5.979 -18.772 1.649 80 1HG1 VAL 9 1HG1 VAL 9 -7.250 -21.065 2.017 81 2HG1 VAL 9 2HG1 VAL 9 -7.942 -19.815 0.983 82 3HG1 VAL 9 3HG1 VAL 9 -8.521 -20.012 2.638 83 1HG2 VAL 9 1HG2 VAL 9 -6.558 -17.228 3.584 84 2HG2 VAL 9 2HG2 VAL 9 -8.040 -18.162 3.788 85 3HG2 VAL 9 3HG2 VAL 9 -7.757 -17.275 2.290 86 H GLN 10 H GLN 10 -3.339 -19.320 2.606 87 HA GLN 10 HA GLN 10 -2.808 -17.029 4.444 88 1HB GLN 10 1HB GLN 10 -1.525 -19.720 4.351 89 2HB GLN 10 2HB GLN 10 -0.459 -18.337 4.607 90 1HG GLN 10 1HG GLN 10 -1.624 -17.673 6.576 91 2HG GLN 10 2HG GLN 10 -2.982 -18.744 6.222 92 1HE2 GLN 10 1HE2 GLN 10 0.619 -19.273 6.375 93 2HE2 GLN 10 2HE2 GLN 10 0.502 -20.610 7.413 94 H ILE 11 H ILE 11 -2.313 -15.396 2.962 95 HA ILE 11 HA ILE 11 -1.277 -14.280 1.178 96 HB ILE 11 HB ILE 11 0.698 -16.539 1.601 97 1HG1 ILE 11 1HG1 ILE 11 0.223 -15.255 3.657 98 2HG1 ILE 11 2HG1 ILE 11 1.847 -14.907 3.071 99 1HG2 ILE 11 1HG2 ILE 11 2.187 -14.450 0.800 100 2HG2 ILE 11 2HG2 ILE 11 0.690 -14.068 -0.052 101 3HG2 ILE 11 3HG2 ILE 11 1.497 -15.609 -0.337 102 1HD1 ILE 11 1HD1 ILE 11 0.158 -13.038 1.789 103 2HD1 ILE 11 2HD1 ILE 11 1.311 -12.717 3.082 104 3HD1 ILE 11 3HD1 ILE 11 -0.369 -13.088 3.472 105 H TYR 12 H TYR 12 -2.407 -14.398 -0.745 106 HA TYR 12 HA TYR 12 -1.932 -16.769 -2.503 107 1HB TYR 12 1HB TYR 12 -4.637 -15.955 -2.884 108 2HB TYR 12 2HB TYR 12 -4.080 -17.464 -2.177 109 HD1 TYR 12 HD1 TYR 12 -5.832 -14.380 -1.561 110 HD2 TYR 12 HD2 TYR 12 -3.512 -17.453 0.341 111 HE1 TYR 12 HE1 TYR 12 -6.693 -13.671 0.654 112 HE2 TYR 12 HE2 TYR 12 -4.350 -16.739 2.542 113 HH TYR 12 HH TYR 12 -5.599 -13.970 3.237 114 H GLY 13 H GLY 13 -0.469 -15.097 -3.578 115 1HA GLY 13 1HA GLY 13 -0.870 -14.082 -5.895 116 2HA GLY 13 2HA GLY 13 -2.046 -13.053 -5.071 117 H ILE 14 H ILE 14 1.078 -13.074 -6.189 118 HA ILE 14 HA ILE 14 2.809 -11.995 -4.293 119 HB ILE 14 HB ILE 14 3.377 -12.345 -6.664 120 1HG1 ILE 14 1HG1 ILE 14 4.699 -10.286 -7.052 121 2HG1 ILE 14 2HG1 ILE 14 3.758 -9.451 -5.818 122 1HG2 ILE 14 1HG2 ILE 14 1.095 -11.273 -7.370 123 2HG2 ILE 14 2HG2 ILE 14 2.495 -11.079 -8.423 124 3HG2 ILE 14 3HG2 ILE 14 2.003 -9.762 -7.360 125 1HD1 ILE 14 1HD1 ILE 14 4.858 -10.474 -4.103 126 2HD1 ILE 14 2HD1 ILE 14 6.112 -10.733 -5.316 127 3HD1 ILE 14 3HD1 ILE 14 4.956 -12.016 -4.954 128 H GLU 15 H GLU 15 0.040 -10.263 -5.770 129 HA GLU 15 HA GLU 15 0.600 -7.610 -4.932 130 1HB GLU 15 1HB GLU 15 -1.758 -9.189 -5.692 131 2HB GLU 15 2HB GLU 15 -2.154 -7.955 -4.503 132 1HG GLU 15 1HG GLU 15 -1.683 -6.227 -5.930 133 2HG GLU 15 2HG GLU 15 -0.380 -7.105 -6.731 134 H GLY 16 H GLY 16 -0.639 -10.363 -2.992 135 1HA GLY 16 1HA GLY 16 -1.209 -8.761 -0.644 136 2HA GLY 16 2HA GLY 16 -1.005 -10.516 -0.668 137 H ARG 17 H ARG 17 1.654 -10.626 -1.753 138 HA ARG 17 HA ARG 17 3.263 -10.327 0.591 139 1HB ARG 17 1HB ARG 17 3.641 -11.614 -1.671 140 2HB ARG 17 2HB ARG 17 4.413 -10.114 -2.189 141 1HG ARG 17 1HG ARG 17 6.255 -11.127 -1.258 142 2HG ARG 17 2HG ARG 17 5.606 -10.386 0.205 143 1HD ARG 17 1HD ARG 17 5.984 -12.660 0.814 144 2HD ARG 17 2HD ARG 17 4.245 -12.593 0.464 145 HE ARG 17 HE ARG 17 4.699 -13.581 -1.729 146 1HH1 ARG 17 1HH2 ARG 17 7.696 -12.537 -0.783 147 2HH1 ARG 17 2HH2 ARG 17 8.533 -14.018 -1.104 148 1HH2 ARG 17 1HH1 ARG 17 5.635 -15.848 -1.635 149 2HH2 ARG 17 2HH1 ARG 17 7.366 -15.893 -1.587 150 H TYR 18 H TYR 18 2.507 -7.951 -1.970 151 HA TYR 18 HA TYR 18 4.575 -6.051 -1.558 152 1HB TYR 18 1HB TYR 18 1.753 -6.024 -2.479 153 2HB TYR 18 2HB TYR 18 2.335 -4.476 -1.894 154 HD1 TYR 18 HD1 TYR 18 2.523 -3.238 -3.877 155 HD2 TYR 18 HD2 TYR 18 4.328 -7.130 -3.634 156 HE1 TYR 18 HE1 TYR 18 3.652 -2.846 -6.043 157 HE2 TYR 18 HE2 TYR 18 5.466 -6.736 -5.802 158 HH TYR 18 HH TYR 18 4.706 -4.897 -7.966 159 H ALA 19 H ALA 19 1.576 -6.551 0.353 160 HA ALA 19 HA ALA 19 2.191 -4.309 2.159 161 1HB ALA 19 1HB ALA 19 0.416 -6.320 3.288 162 2HB ALA 19 2HB ALA 19 -0.029 -5.972 1.616 163 3HB ALA 19 3HB ALA 19 0.051 -4.667 2.799 164 H THR 20 H THR 20 2.700 -7.865 2.210 165 HA THR 20 HA THR 20 3.709 -7.872 4.940 166 HB THR 20 HB THR 20 4.696 -10.031 3.234 167 HG1 THR 20 HG1 THR 20 2.660 -10.762 2.604 168 1HG2 THR 20 1HG2 THR 20 2.782 -9.802 5.568 169 2HG2 THR 20 2HG2 THR 20 4.476 -10.285 5.627 170 3HG2 THR 20 3HG2 THR 20 3.286 -11.341 4.871 171 H ALA 21 H ALA 21 5.243 -7.439 1.734 172 HA ALA 21 HA ALA 21 7.948 -7.593 2.878 173 1HB ALA 21 1HB ALA 21 7.000 -7.891 0.387 174 2HB ALA 21 2HB ALA 21 8.645 -7.327 0.675 175 3HB ALA 21 3HB ALA 21 7.369 -6.168 0.304 176 H LEU 22 H LEU 22 5.491 -5.157 2.952 177 HA LEU 22 HA LEU 22 7.528 -2.983 3.275 178 1HB LEU 22 1HB LEU 22 5.561 -2.647 1.748 179 2HB LEU 22 2HB LEU 22 4.491 -2.894 3.127 180 HG LEU 22 HG LEU 22 6.281 -0.968 4.050 181 1HD1 LEU 22 1HD1 LEU 22 7.258 -0.397 1.994 182 2HD1 LEU 22 2HD1 LEU 22 5.953 0.779 2.142 183 3HD1 LEU 22 3HD1 LEU 22 5.754 -0.634 1.104 184 1HD2 LEU 22 1HD2 LEU 22 3.465 -1.062 3.108 185 2HD2 LEU 22 2HD2 LEU 22 4.177 0.545 3.250 186 3HD2 LEU 22 3HD2 LEU 22 4.118 -0.520 4.653 187 H TYR 23 H TYR 23 4.700 -4.479 4.935 188 HA TYR 23 HA TYR 23 5.268 -3.039 7.388 189 1HB TYR 23 1HB TYR 23 3.198 -3.789 7.881 190 2HB TYR 23 2HB TYR 23 3.173 -4.611 6.335 191 HD1 TYR 23 HD1 TYR 23 4.411 -5.076 9.837 192 HD2 TYR 23 HD2 TYR 23 2.862 -6.892 6.282 193 HE1 TYR 23 HE1 TYR 23 4.346 -7.252 10.992 194 HE2 TYR 23 HE2 TYR 23 2.824 -9.074 7.404 195 HH TYR 23 HH TYR 23 4.387 -9.988 9.751 196 H SER 24 H SER 24 6.746 -5.858 5.869 197 HA SER 24 HA SER 24 7.606 -7.403 8.083 198 1HB SER 24 1HB SER 24 9.647 -7.836 6.672 199 2HB SER 24 2HB SER 24 8.147 -7.969 5.760 200 HG SER 24 HG SER 24 9.609 -6.700 4.618 201 H ALA 25 H ALA 25 8.811 -4.231 6.946 202 HA ALA 25 HA ALA 25 10.894 -4.081 9.030 203 1HB ALA 25 1HB ALA 25 9.739 -2.268 6.914 204 2HB ALA 25 2HB ALA 25 11.412 -2.777 7.139 205 3HB ALA 25 3HB ALA 25 10.710 -1.562 8.207 206 H ALA 26 H ALA 26 7.554 -2.839 8.474 207 HA ALA 26 HA ALA 26 7.341 -1.230 10.848 208 1HB ALA 26 1HB ALA 26 5.015 -2.857 9.847 209 2HB ALA 26 2HB ALA 26 5.733 -1.666 8.764 210 3HB ALA 26 3HB ALA 26 5.064 -1.157 10.312 211 H SER 27 H SER 27 6.902 -4.762 10.341 212 HA SER 27 HA SER 27 5.749 -5.437 12.859 213 1HB SER 27 1HB SER 27 6.395 -6.853 10.711 214 2HB SER 27 2HB SER 27 7.882 -7.156 11.604 215 HG SER 27 HG SER 27 6.761 -8.201 13.135 216 H LYS 28 H LYS 28 9.200 -4.957 11.966 217 HA LYS 28 HA LYS 28 10.300 -5.702 14.535 218 1HB LYS 28 1HB LYS 28 11.501 -5.326 12.288 219 2HB LYS 28 2HB LYS 28 11.419 -3.602 12.652 220 1HG LYS 28 1HG LYS 28 12.999 -3.737 14.295 221 2HG LYS 28 2HG LYS 28 12.434 -5.312 14.850 222 1HD LYS 28 1HD LYS 28 13.597 -6.456 13.109 223 2HD LYS 28 2HD LYS 28 13.899 -4.957 12.230 224 1HE LYS 28 1HE LYS 28 15.951 -5.628 13.394 225 2HE LYS 28 2HE LYS 28 15.301 -4.176 14.182 226 1HZ LYS 28 1HZ LYS 28 14.249 -5.497 15.832 227 2HZ LYS 28 2HZ LYS 28 15.860 -6.029 15.740 228 3HZ LYS 28 3HZ LYS 28 14.619 -6.940 15.022 229 H GLN 29 H GLN 29 9.082 -2.577 13.241 230 HA GLN 29 HA GLN 29 9.692 -1.216 15.806 231 1HB GLN 29 1HB GLN 29 8.344 -0.285 13.251 232 2HB GLN 29 2HB GLN 29 8.794 0.764 14.596 233 1HG GLN 29 1HG GLN 29 11.043 0.634 14.129 234 2HG GLN 29 2HG GLN 29 10.921 -1.003 13.482 235 1HE2 GLN 29 1HE2 GLN 29 11.412 2.205 12.515 236 2HE2 GLN 29 2HE2 GLN 29 10.922 2.051 10.897 237 H ASN 30 H ASN 30 7.088 -3.164 14.708 238 HA ASN 30 HA ASN 30 4.991 -3.588 15.648 239 1HB ASN 30 1HB ASN 30 6.479 -2.814 17.740 240 2HB ASN 30 2HB ASN 30 5.378 -1.436 17.694 241 1HD2 ASN 30 1HD2 ASN 30 5.637 -4.093 19.471 242 2HD2 ASN 30 2HD2 ASN 30 4.021 -4.604 19.556 243 H LYS 31 H LYS 31 5.256 -1.759 13.464 244 HA LYS 31 HA LYS 31 3.269 0.370 14.160 245 1HB LYS 31 1HB LYS 31 5.258 0.050 11.893 246 2HB LYS 31 2HB LYS 31 4.132 1.401 12.039 247 1HG LYS 31 1HG LYS 31 5.142 2.153 14.066 248 2HG LYS 31 2HG LYS 31 6.052 0.654 14.252 249 1HD LYS 31 1HD LYS 31 7.740 1.879 13.318 250 2HD LYS 31 2HD LYS 31 6.937 1.447 11.810 251 1HE LYS 31 1HE LYS 31 7.046 3.763 11.562 252 2HE LYS 31 2HE LYS 31 5.486 3.627 12.398 253 1HZ LYS 31 1HZ LYS 31 6.581 3.907 14.501 254 2HZ LYS 31 2HZ LYS 31 7.026 5.200 13.493 255 3HZ LYS 31 3HZ LYS 31 8.109 3.920 13.765 256 H LEU 32 H LEU 32 2.899 -2.718 13.196 257 HA LEU 32 HA LEU 32 1.692 -2.807 10.648 258 1HB LEU 32 1HB LEU 32 1.284 -4.211 13.259 259 2HB LEU 32 2HB LEU 32 0.105 -4.494 11.979 260 HG LEU 32 HG LEU 32 2.838 -4.558 10.951 261 1HD1 LEU 32 1HD1 LEU 32 2.591 -5.666 13.520 262 2HD1 LEU 32 2HD1 LEU 32 3.902 -5.901 12.367 263 3HD1 LEU 32 3HD1 LEU 32 2.553 -7.035 12.407 264 1HD2 LEU 32 1HD2 LEU 32 0.282 -5.941 10.650 265 2HD2 LEU 32 2HD2 LEU 32 1.635 -7.070 10.648 266 3HD2 LEU 32 3HD2 LEU 32 1.594 -5.744 9.488 267 H GLU 33 H GLU 33 0.332 -1.481 13.689 268 HA GLU 33 HA GLU 33 -2.366 -1.114 12.649 269 1HB GLU 33 1HB GLU 33 -0.788 0.281 14.848 270 2HB GLU 33 2HB GLU 33 -2.511 0.536 14.571 271 1HG GLU 33 1HG GLU 33 -3.069 -1.654 15.201 272 2HG GLU 33 2HG GLU 33 -1.433 -2.252 14.921 273 H GLN 34 H GLN 34 0.543 0.993 12.815 274 HA GLN 34 HA GLN 34 -0.659 3.304 11.558 275 1HB GLN 34 1HB GLN 34 2.200 2.307 11.711 276 2HB GLN 34 2HB GLN 34 1.751 3.903 11.108 277 1HG GLN 34 1HG GLN 34 0.390 3.666 13.554 278 2HG GLN 34 2HG GLN 34 1.980 2.971 13.861 279 1HE2 GLN 34 1HE2 GLN 34 0.507 5.916 12.319 280 2HE2 GLN 34 2HE2 GLN 34 1.766 6.950 12.791 281 H VAL 35 H VAL 35 0.516 0.258 10.194 282 HA VAL 35 HA VAL 35 0.469 1.458 7.460 283 HB VAL 35 HB VAL 35 1.205 -1.405 8.012 284 1HG1 VAL 35 1HG1 VAL 35 3.075 -0.461 6.344 285 2HG1 VAL 35 2HG1 VAL 35 1.814 0.732 6.034 286 3HG1 VAL 35 3HG1 VAL 35 1.488 -0.982 5.777 287 1HG2 VAL 35 1HG2 VAL 35 2.657 0.952 9.110 288 2HG2 VAL 35 2HG2 VAL 35 3.655 -0.224 8.256 289 3HG2 VAL 35 3HG2 VAL 35 2.690 -0.731 9.638 290 H GLU 36 H GLU 36 -1.049 -1.194 9.370 291 HA GLU 36 HA GLU 36 -2.665 -2.230 7.211 292 1HB GLU 36 1HB GLU 36 -2.091 -3.110 9.653 293 2HB GLU 36 2HB GLU 36 -3.600 -2.296 10.063 294 1HG GLU 36 1HG GLU 36 -3.501 -4.131 7.685 295 2HG GLU 36 2HG GLU 36 -3.662 -4.809 9.306 296 H LYS 37 H LYS 37 -3.268 0.371 9.615 297 HA LYS 37 HA LYS 37 -6.063 0.697 8.747 298 1HB LYS 37 1HB LYS 37 -4.981 1.181 11.064 299 2HB LYS 37 2HB LYS 37 -4.447 2.696 10.336 300 1HG LYS 37 1HG LYS 37 -6.806 3.198 9.719 301 2HG LYS 37 2HG LYS 37 -7.311 1.724 10.546 302 1HD LYS 37 1HD LYS 37 -6.799 2.571 12.657 303 2HD LYS 37 2HD LYS 37 -5.636 3.734 12.018 304 1HE LYS 37 1HE LYS 37 -8.503 4.023 11.188 305 2HE LYS 37 2HE LYS 37 -8.036 4.554 12.816 306 1HZ LYS 37 1HZ LYS 37 -7.699 6.327 11.197 307 2HZ LYS 37 2HZ LYS 37 -6.675 5.324 10.287 308 3HZ LYS 37 3HZ LYS 37 -6.218 5.817 11.846 309 H GLU 38 H GLU 38 -2.955 2.355 8.041 310 HA GLU 38 HA GLU 38 -4.232 4.533 6.578 311 1HB GLU 38 1HB GLU 38 -1.411 3.407 6.432 312 2HB GLU 38 2HB GLU 38 -1.929 4.963 5.802 313 1HG GLU 38 1HG GLU 38 -2.063 4.146 8.717 314 2HG GLU 38 2HG GLU 38 -0.844 5.197 8.009 315 H LEU 39 H LEU 39 -2.884 1.332 5.667 316 HA LEU 39 HA LEU 39 -3.020 1.585 2.825 317 1HB LEU 39 1HB LEU 39 -3.181 -0.645 4.820 318 2HB LEU 39 2HB LEU 39 -3.655 -1.007 3.162 319 HG LEU 39 HG LEU 39 -1.048 0.358 3.862 320 1HD1 LEU 39 1HD1 LEU 39 -0.315 -2.135 3.090 321 2HD1 LEU 39 2HD1 LEU 39 -1.831 -2.509 3.909 322 3HD1 LEU 39 3HD1 LEU 39 -0.539 -1.680 4.779 323 1HD2 LEU 39 1HD2 LEU 39 -0.589 0.262 1.621 324 2HD2 LEU 39 2HD2 LEU 39 -2.345 0.216 1.474 325 3HD2 LEU 39 3HD2 LEU 39 -1.415 -1.281 1.414 326 H LEU 40 H LEU 40 -5.607 0.800 5.199 327 HA LEU 40 HA LEU 40 -7.668 0.085 3.350 328 1HB LEU 40 1HB LEU 40 -7.534 0.190 6.002 329 2HB LEU 40 2HB LEU 40 -8.284 1.768 5.761 330 HG LEU 40 HG LEU 40 -9.439 -0.545 4.270 331 1HD1 LEU 40 1HD1 LEU 40 -10.730 -1.297 6.165 332 2HD1 LEU 40 2HD1 LEU 40 -10.065 -0.024 7.189 333 3HD1 LEU 40 3HD1 LEU 40 -9.031 -1.341 6.635 334 1HD2 LEU 40 1HD2 LEU 40 -10.314 1.743 3.993 335 2HD2 LEU 40 2HD2 LEU 40 -10.597 1.852 5.731 336 3HD2 LEU 40 3HD2 LEU 40 -11.522 0.709 4.757 337 H ARG 41 H ARG 41 -6.470 3.325 4.301 338 HA ARG 41 HA ARG 41 -8.594 4.900 3.206 339 1HB ARG 41 1HB ARG 41 -5.610 5.392 3.468 340 2HB ARG 41 2HB ARG 41 -6.749 6.645 2.974 341 1HG ARG 41 1HG ARG 41 -6.964 5.062 5.551 342 2HG ARG 41 2HG ARG 41 -6.262 6.675 5.431 343 1HD ARG 41 1HD ARG 41 -8.553 7.271 4.255 344 2HD ARG 41 2HD ARG 41 -9.132 5.838 5.129 345 HE ARG 41 HE ARG 41 -8.186 6.924 7.217 346 1HH1 ARG 41 1HH1 ARG 41 -10.592 8.421 6.013 347 2HH1 ARG 41 2HH1 ARG 41 -10.050 10.060 6.154 348 1HH2 ARG 41 1HH2 ARG 41 -6.738 9.196 6.710 349 2HH2 ARG 41 2HH2 ARG 41 -7.868 10.499 6.550 350 H VAL 42 H VAL 42 -5.632 3.599 1.611 351 HA VAL 42 HA VAL 42 -6.143 4.812 -0.962 352 HB VAL 42 HB VAL 42 -4.685 2.251 -0.198 353 1HG1 VAL 42 1HG1 VAL 42 -3.430 3.105 -2.427 354 2HG1 VAL 42 2HG1 VAL 42 -5.056 3.686 -2.784 355 3HG1 VAL 42 3HG1 VAL 42 -4.780 1.971 -2.481 356 1HG2 VAL 42 1HG2 VAL 42 -4.076 4.747 0.618 357 2HG2 VAL 42 2HG2 VAL 42 -3.279 4.764 -0.954 358 3HG2 VAL 42 3HG2 VAL 42 -2.840 3.546 0.244 359 H GLY 43 H GLY 43 -7.188 1.678 0.462 360 1HA GLY 43 1HA GLY 43 -8.438 0.678 -1.923 361 2HA GLY 43 2HA GLY 43 -8.802 0.148 -0.278 362 H GLN 44 H GLN 44 -9.734 2.519 0.894 363 HA GLN 44 HA GLN 44 -12.459 2.641 -0.040 364 1HB GLN 44 1HB GLN 44 -10.733 4.287 1.804 365 2HB GLN 44 2HB GLN 44 -12.356 4.849 1.403 366 1HG GLN 44 1HG GLN 44 -13.355 2.842 2.273 367 2HG GLN 44 2HG GLN 44 -11.780 2.065 2.444 368 1HE2 GLN 44 1HE2 GLN 44 -14.133 3.582 4.285 369 2HE2 GLN 44 2HE2 GLN 44 -13.150 4.169 5.539 370 H ILE 45 H ILE 45 -9.642 4.789 -0.649 371 HA ILE 45 HA ILE 45 -11.042 6.828 -2.117 372 HB ILE 45 HB ILE 45 -8.197 5.759 -2.307 373 1HG1 ILE 45 1HG1 ILE 45 -9.092 8.349 -1.051 374 2HG1 ILE 45 2HG1 ILE 45 -9.189 6.839 -0.147 375 1HG2 ILE 45 1HG2 ILE 45 -9.492 7.515 -4.118 376 2HG2 ILE 45 2HG2 ILE 45 -7.764 7.198 -3.993 377 3HG2 ILE 45 3HG2 ILE 45 -8.480 8.536 -3.097 378 1HD1 ILE 45 1HD1 ILE 45 -6.859 6.514 -0.200 379 2HD1 ILE 45 2HD1 ILE 45 -7.013 8.252 0.049 380 3HD1 ILE 45 3HD1 ILE 45 -6.644 7.621 -1.556 381 H LEU 46 H LEU 46 -9.606 3.715 -3.205 382 HA LEU 46 HA LEU 46 -10.201 4.195 -6.019 383 1HB LEU 46 1HB LEU 46 -9.684 1.628 -4.469 384 2HB LEU 46 2HB LEU 46 -9.687 1.754 -6.228 385 HG LEU 46 HG LEU 46 -7.857 3.331 -4.393 386 1HD1 LEU 46 1HD1 LEU 46 -7.691 0.623 -5.065 387 2HD1 LEU 46 2HD1 LEU 46 -6.376 1.632 -4.470 388 3HD1 LEU 46 3HD1 LEU 46 -6.605 1.416 -6.203 389 1HD2 LEU 46 1HD2 LEU 46 -8.300 4.503 -6.470 390 2HD2 LEU 46 2HD2 LEU 46 -8.032 3.034 -7.407 391 3HD2 LEU 46 3HD2 LEU 46 -6.685 3.803 -6.569 392 H LYS 47 H LYS 47 -11.982 2.590 -3.351 393 HA LYS 47 HA LYS 47 -14.108 1.596 -5.106 394 1HB LYS 47 1HB LYS 47 -13.667 1.883 -2.134 395 2HB LYS 47 2HB LYS 47 -15.269 1.464 -2.743 396 1HG LYS 47 1HG LYS 47 -14.531 -0.565 -3.662 397 2HG LYS 47 2HG LYS 47 -12.844 -0.047 -3.692 398 1HD LYS 47 1HD LYS 47 -13.113 -1.636 -1.881 399 2HD LYS 47 2HD LYS 47 -12.871 -0.037 -1.179 400 1HE LYS 47 1HE LYS 47 -15.293 0.215 -0.838 401 2HE LYS 47 2HE LYS 47 -15.575 -1.365 -1.597 402 1HZ LYS 47 1HZ LYS 47 -15.434 -1.591 0.806 403 2HZ LYS 47 2HZ LYS 47 -13.898 -0.864 0.808 404 3HZ LYS 47 3HZ LYS 47 -14.125 -2.374 0.063 405 H GLU 48 H GLU 48 -13.495 4.570 -3.227 406 HA GLU 48 HA GLU 48 -16.040 5.733 -3.121 407 1HB GLU 48 1HB GLU 48 -13.234 6.712 -3.388 408 2HB GLU 48 2HB GLU 48 -14.511 7.893 -3.691 409 1HG GLU 48 1HG GLU 48 -14.530 6.130 -1.237 410 2HG GLU 48 2HG GLU 48 -13.688 7.679 -1.261 411 HA PRO 49 HA PRO 49 -17.126 6.190 -7.412 412 1HB PRO 49 1HB PRO 49 -19.091 8.084 -7.181 413 2HB PRO 49 2HB PRO 49 -19.335 6.381 -6.742 414 1HG PRO 49 1HG PRO 49 -18.790 8.726 -4.993 415 2HG PRO 49 2HG PRO 49 -19.875 7.353 -4.733 416 1HD PRO 49 1HD PRO 49 -17.428 7.565 -3.562 417 2HD PRO 49 2HD PRO 49 -18.200 6.008 -3.940 418 H LYS 50 H LYS 50 -16.705 9.184 -5.456 419 HA LYS 50 HA LYS 50 -16.181 10.949 -7.683 420 1HB LYS 50 1HB LYS 50 -16.679 11.466 -5.188 421 2HB LYS 50 2HB LYS 50 -14.951 11.223 -4.933 422 1HG LYS 50 1HG LYS 50 -14.414 12.979 -6.525 423 2HG LYS 50 2HG LYS 50 -16.116 13.159 -6.953 424 1HD LYS 50 1HD LYS 50 -16.315 13.507 -4.292 425 2HD LYS 50 2HD LYS 50 -14.665 14.086 -4.525 426 1HE LYS 50 1HE LYS 50 -15.965 16.037 -4.857 427 2HE LYS 50 2HE LYS 50 -15.705 15.455 -6.514 428 1HZ LYS 50 1HZ LYS 50 -18.062 14.940 -4.783 429 2HZ LYS 50 2HZ LYS 50 -17.780 14.137 -6.253 430 3HZ LYS 50 3HZ LYS 50 -18.034 15.816 -6.234 431 H MET 51 H MET 51 -14.034 8.763 -5.823 432 HA MET 51 HA MET 51 -11.668 9.781 -7.326 433 1HB MET 51 1HB MET 51 -12.199 8.286 -4.831 434 2HB MET 51 2HB MET 51 -10.796 7.724 -5.729 435 1HG MET 51 1HG MET 51 -9.690 9.405 -4.692 436 2HG MET 51 2HG MET 51 -10.471 10.444 -5.878 437 1HE MET 51 1HE MET 51 -10.428 8.928 -2.420 438 2HE MET 51 2HE MET 51 -12.062 8.434 -2.851 439 3HE MET 51 3HE MET 51 -11.817 9.615 -1.567 440 H ALA 52 H ALA 52 -13.695 6.830 -7.093 441 HA ALA 52 HA ALA 52 -12.072 4.992 -8.516 442 1HB ALA 52 1HB ALA 52 -14.450 4.214 -9.381 443 2HB ALA 52 2HB ALA 52 -15.038 5.454 -8.274 444 3HB ALA 52 3HB ALA 52 -14.071 4.112 -7.661 445 H ALA 53 H ALA 53 -14.166 7.596 -9.812 446 HA ALA 53 HA ALA 53 -13.825 6.891 -12.604 447 1HB ALA 53 1HB ALA 53 -14.501 9.353 -12.905 448 2HB ALA 53 2HB ALA 53 -14.543 9.447 -11.144 449 3HB ALA 53 3HB ALA 53 -15.626 8.345 -11.994 450 H SER 54 H SER 54 -11.777 8.737 -10.336 451 HA SER 54 HA SER 54 -10.064 9.694 -12.575 452 1HB SER 54 1HB SER 54 -10.799 10.949 -10.374 453 2HB SER 54 2HB SER 54 -9.480 10.043 -9.637 454 HG SER 54 HG SER 54 -9.011 12.198 -10.610 455 H LEU 55 H LEU 55 -9.884 7.449 -9.775 456 HA LEU 55 HA LEU 55 -7.085 6.757 -10.305 457 1HB LEU 55 1HB LEU 55 -9.290 5.661 -8.559 458 2HB LEU 55 2HB LEU 55 -7.730 4.846 -8.673 459 HG LEU 55 HG LEU 55 -7.509 7.756 -8.260 460 1HD1 LEU 55 1HD1 LEU 55 -8.598 8.006 -6.278 461 2HD1 LEU 55 2HD1 LEU 55 -8.222 6.366 -5.749 462 3HD1 LEU 55 3HD1 LEU 55 -9.570 6.651 -6.849 463 1HD2 LEU 55 1HD2 LEU 55 -5.858 5.619 -8.023 464 2HD2 LEU 55 2HD2 LEU 55 -6.398 5.768 -6.351 465 3HD2 LEU 55 3HD2 LEU 55 -5.607 7.128 -7.145 466 H LEU 56 H LEU 56 -10.213 5.511 -11.456 467 HA LEU 56 HA LEU 56 -8.842 3.132 -12.627 468 1HB LEU 56 1HB LEU 56 -10.935 2.868 -11.317 469 2HB LEU 56 2HB LEU 56 -11.775 3.898 -12.478 470 HG LEU 56 HG LEU 56 -10.264 1.598 -13.605 471 1HD1 LEU 56 1HD1 LEU 56 -12.954 1.187 -12.280 472 2HD1 LEU 56 2HD1 LEU 56 -11.431 0.731 -11.519 473 3HD1 LEU 56 3HD1 LEU 56 -11.927 -0.035 -13.028 474 1HD2 LEU 56 1HD2 LEU 56 -11.967 3.457 -14.619 475 2HD2 LEU 56 2HD2 LEU 56 -13.110 2.167 -14.247 476 3HD2 LEU 56 3HD2 LEU 56 -11.752 1.857 -15.330 477 H ASN 57 H ASN 57 -10.046 6.295 -13.653 478 HA ASN 57 HA ASN 57 -10.777 5.664 -16.336 479 1HB ASN 57 1HB ASN 57 -10.042 8.066 -14.791 480 2HB ASN 57 2HB ASN 57 -9.648 8.181 -16.503 481 1HD2 ASN 57 1HD2 ASN 57 -11.442 9.784 -16.794 482 2HD2 ASN 57 2HD2 ASN 57 -13.052 9.246 -16.826 483 HA PRO 58 HA PRO 58 -6.699 4.632 -17.852 484 1HB PRO 58 1HB PRO 58 -7.388 4.201 -20.459 485 2HB PRO 58 2HB PRO 58 -7.684 3.011 -19.176 486 1HG PRO 58 1HG PRO 58 -9.569 4.899 -20.477 487 2HG PRO 58 2HG PRO 58 -9.838 3.247 -19.902 488 1HD PRO 58 1HD PRO 58 -10.628 5.506 -18.555 489 2HD PRO 58 2HD PRO 58 -10.329 3.932 -17.788 490 H TYR 59 H TYR 59 -8.637 7.391 -18.630 491 HA TYR 59 HA TYR 59 -6.776 8.497 -20.632 492 1HB TYR 59 1HB TYR 59 -9.363 9.318 -19.307 493 2HB TYR 59 2HB TYR 59 -8.456 10.459 -20.309 494 HD1 TYR 59 HD1 TYR 59 -9.730 6.926 -20.385 495 HD2 TYR 59 HD2 TYR 59 -8.840 10.485 -22.620 496 HE1 TYR 59 HE1 TYR 59 -10.647 5.870 -22.421 497 HE2 TYR 59 HE2 TYR 59 -9.766 9.428 -24.664 498 HH TYR 59 HH TYR 59 -10.137 6.360 -25.137 499 H VAL 60 H VAL 60 -6.419 8.190 -17.320 500 HA VAL 60 HA VAL 60 -5.496 11.006 -16.910 501 HB VAL 60 HB VAL 60 -5.724 8.681 -14.966 502 1HG1 VAL 60 1HG1 VAL 60 -5.913 10.818 -13.412 503 2HG1 VAL 60 2HG1 VAL 60 -5.033 11.590 -14.732 504 3HG1 VAL 60 3HG1 VAL 60 -4.332 10.205 -13.896 505 1HG2 VAL 60 1HG2 VAL 60 -7.746 10.222 -14.233 506 2HG2 VAL 60 2HG2 VAL 60 -7.953 9.066 -15.548 507 3HG2 VAL 60 3HG2 VAL 60 -7.671 10.768 -15.909 508 H LYS 61 H LYS 61 -3.939 9.057 -18.653 509 HA LYS 61 HA LYS 61 -1.717 8.329 -18.931 510 1HB LYS 61 1HB LYS 61 -1.787 10.857 -17.379 511 2HB LYS 61 2HB LYS 61 -0.240 10.012 -17.388 512 1HG LYS 61 1HG LYS 61 -1.657 10.270 -19.998 513 2HG LYS 61 2HG LYS 61 -0.925 11.731 -19.330 514 1HD LYS 61 1HD LYS 61 1.229 10.524 -19.090 515 2HD LYS 61 2HD LYS 61 0.492 9.094 -19.814 516 1HE LYS 61 1HE LYS 61 -0.140 10.797 -21.754 517 2HE LYS 61 2HE LYS 61 1.252 11.689 -21.110 518 1HZ LYS 61 1HZ LYS 61 2.623 9.782 -21.317 519 2HZ LYS 61 2HZ LYS 61 1.823 9.958 -22.805 520 3HZ LYS 61 3HZ LYS 61 1.306 8.780 -21.694 521 H ARG 62 H ARG 62 0.463 7.961 -17.387 522 HA ARG 62 HA ARG 62 -0.511 6.261 -15.112 523 1HB ARG 62 1HB ARG 62 0.668 5.335 -17.247 524 2HB ARG 62 2HB ARG 62 2.135 6.016 -16.543 525 1HG ARG 62 1HG ARG 62 0.424 4.376 -14.741 526 2HG ARG 62 2HG ARG 62 1.309 3.513 -16.000 527 1HD ARG 62 1HD ARG 62 2.630 5.502 -14.124 528 2HD ARG 62 2HD ARG 62 2.598 3.751 -13.832 529 HE ARG 62 HE ARG 62 4.080 5.110 -15.994 530 1HH1 ARG 62 1HH2 ARG 62 4.661 2.713 -13.987 531 2HH1 ARG 62 2HH2 ARG 62 4.904 1.449 -15.146 532 1HH2 ARG 62 1HH1 ARG 62 3.588 3.264 -17.793 533 2HH2 ARG 62 2HH1 ARG 62 4.296 1.761 -17.301 534 H SER 63 H SER 63 2.422 8.134 -16.123 535 HA SER 63 HA SER 63 3.537 8.362 -13.485 536 1HB SER 63 1HB SER 63 3.769 9.981 -16.028 537 2HB SER 63 2HB SER 63 4.641 10.456 -14.573 538 HG SER 63 HG SER 63 5.950 9.093 -15.752 539 H VAL 64 H VAL 64 1.223 10.479 -15.243 540 HA VAL 64 HA VAL 64 1.133 12.608 -13.311 541 HB VAL 64 HB VAL 64 -1.058 11.516 -15.125 542 1HG1 VAL 64 1HG1 VAL 64 -0.739 14.266 -13.880 543 2HG1 VAL 64 2HG1 VAL 64 -1.886 13.041 -13.335 544 3HG1 VAL 64 3HG1 VAL 64 -2.049 13.747 -14.942 545 1HG2 VAL 64 1HG2 VAL 64 -0.186 13.690 -16.402 546 2HG2 VAL 64 2HG2 VAL 64 0.596 12.126 -16.628 547 3HG2 VAL 64 3HG2 VAL 64 1.301 13.313 -15.531 548 H LYS 65 H LYS 65 -0.720 9.533 -13.503 549 HA LYS 65 HA LYS 65 -2.532 9.962 -11.347 550 1HB LYS 65 1HB LYS 65 -1.118 7.498 -12.403 551 2HB LYS 65 2HB LYS 65 -2.324 7.398 -11.120 552 1HG LYS 65 1HG LYS 65 -2.907 8.827 -13.712 553 2HG LYS 65 2HG LYS 65 -3.151 7.088 -13.548 554 1HD LYS 65 1HD LYS 65 -4.373 9.173 -11.716 555 2HD LYS 65 2HD LYS 65 -5.219 8.403 -13.057 556 1HE LYS 65 1HE LYS 65 -5.721 6.632 -11.739 557 2HE LYS 65 2HE LYS 65 -3.998 6.351 -11.431 558 1HZ LYS 65 1HZ LYS 65 -5.013 6.881 -9.358 559 2HZ LYS 65 2HZ LYS 65 -5.790 8.244 -10.007 560 3HZ LYS 65 3HZ LYS 65 -4.101 8.232 -9.826 561 H VAL 66 H VAL 66 0.888 8.870 -11.249 562 HA VAL 66 HA VAL 66 0.959 8.257 -8.428 563 HB VAL 66 HB VAL 66 3.162 9.274 -10.268 564 1HG1 VAL 66 1HG1 VAL 66 4.481 7.737 -8.561 565 2HG1 VAL 66 2HG1 VAL 66 3.127 8.124 -7.498 566 3HG1 VAL 66 3HG1 VAL 66 4.129 9.417 -8.157 567 1HG2 VAL 66 1HG2 VAL 66 3.574 6.608 -10.034 568 2HG2 VAL 66 2HG2 VAL 66 2.597 7.313 -11.323 569 3HG2 VAL 66 3HG2 VAL 66 1.816 6.648 -9.889 570 H LYS 67 H LYS 67 1.593 11.312 -10.216 571 HA LYS 67 HA LYS 67 2.442 12.874 -7.957 572 1HB LYS 67 1HB LYS 67 1.174 13.456 -10.626 573 2HB LYS 67 2HB LYS 67 1.377 14.768 -9.465 574 1HG LYS 67 1HG LYS 67 3.680 14.707 -9.584 575 2HG LYS 67 2HG LYS 67 3.720 12.984 -9.959 576 1HD LYS 67 1HD LYS 67 2.815 13.486 -12.226 577 2HD LYS 67 2HD LYS 67 2.888 15.207 -11.847 578 1HE LYS 67 1HE LYS 67 5.385 13.617 -11.420 579 2HE LYS 67 2HE LYS 67 4.921 13.988 -13.093 580 1HZ LYS 67 1HZ LYS 67 6.228 15.791 -12.137 581 2HZ LYS 67 2HZ LYS 67 5.108 15.955 -10.870 582 3HZ LYS 67 3HZ LYS 67 4.647 16.307 -12.467 583 H SER 68 H SER 68 -0.850 12.209 -9.242 584 HA SER 68 HA SER 68 -2.278 13.995 -7.499 585 1HB SER 68 1HB SER 68 -3.004 11.370 -8.833 586 2HB SER 68 2HB SER 68 -4.177 12.314 -7.919 587 HG SER 68 HG SER 68 -4.354 13.068 -9.953 588 H LEU 69 H LEU 69 -1.259 10.577 -7.022 589 HA LEU 69 HA LEU 69 -2.554 10.228 -4.463 590 1HB LEU 69 1HB LEU 69 -0.323 8.923 -5.983 591 2HB LEU 69 2HB LEU 69 -0.489 8.531 -4.271 592 HG LEU 69 HG LEU 69 -3.013 8.516 -5.829 593 1HD1 LEU 69 1HD1 LEU 69 -1.894 7.399 -7.532 594 2HD1 LEU 69 2HD1 LEU 69 -2.317 6.052 -6.476 595 3HD1 LEU 69 3HD1 LEU 69 -0.688 6.724 -6.438 596 1HD2 LEU 69 1HD2 LEU 69 -2.251 7.713 -3.337 597 2HD2 LEU 69 2HD2 LEU 69 -2.104 6.193 -4.221 598 3HD2 LEU 69 3HD2 LEU 69 -3.645 7.051 -4.190 599 H SER 70 H SER 70 0.792 11.285 -5.299 600 HA SER 70 HA SER 70 1.726 11.614 -2.603 601 1HB SER 70 1HB SER 70 3.299 11.690 -4.418 602 2HB SER 70 2HB SER 70 2.411 12.982 -5.223 603 HG SER 70 HG SER 70 3.933 13.080 -2.838 604 H ASP 71 H ASP 71 -0.083 13.861 -4.749 605 HA ASP 71 HA ASP 71 0.020 16.104 -2.901 606 1HB ASP 71 1HB ASP 71 -1.689 15.349 -5.275 607 2HB ASP 71 2HB ASP 71 -2.024 16.814 -4.352 608 H MET 72 H MET 72 -1.879 13.158 -2.841 609 HA MET 72 HA MET 72 -4.000 14.384 -1.150 610 1HB MET 72 1HB MET 72 -4.436 12.571 -2.882 611 2HB MET 72 2HB MET 72 -3.492 11.470 -1.877 612 1HG MET 72 1HG MET 72 -5.076 12.105 0.037 613 2HG MET 72 2HG MET 72 -6.103 12.832 -1.198 614 1HE MET 72 1HE MET 72 -4.004 10.090 -0.179 615 2HE MET 72 2HE MET 72 -4.066 9.092 -1.629 616 3HE MET 72 3HE MET 72 -5.009 8.635 -0.213 617 H THR 73 H THR 73 -1.361 11.958 -0.947 618 HA THR 73 HA THR 73 -1.513 11.396 1.849 619 HB THR 73 HB THR 73 0.620 11.377 -0.282 620 HG1 THR 73 HG1 THR 73 0.407 9.212 -0.024 621 1HG2 THR 73 1HG2 THR 73 2.054 11.900 1.479 622 2HG2 THR 73 2HG2 THR 73 2.052 10.136 1.492 623 3HG2 THR 73 3HG2 THR 73 1.081 11.029 2.664 624 H ALA 74 H ALA 74 0.040 14.133 0.090 625 HA ALA 74 HA ALA 74 1.446 15.297 2.302 626 1HB ALA 74 1HB ALA 74 0.231 16.303 -0.257 627 2HB ALA 74 2HB ALA 74 1.925 16.281 0.235 628 3HB ALA 74 3HB ALA 74 0.825 17.481 0.915 629 H LYS 75 H LYS 75 -1.993 15.616 1.294 630 HA LYS 75 HA LYS 75 -2.494 17.205 3.788 631 1HB LYS 75 1HB LYS 75 -4.025 16.873 1.189 632 2HB LYS 75 2HB LYS 75 -4.600 17.827 2.558 633 1HG LYS 75 1HG LYS 75 -2.975 19.460 2.281 634 2HG LYS 75 2HG LYS 75 -1.845 18.351 1.504 635 1HD LYS 75 1HD LYS 75 -3.821 18.279 -0.321 636 2HD LYS 75 2HD LYS 75 -4.097 19.898 0.321 637 1HE LYS 75 1HE LYS 75 -1.670 20.415 -0.065 638 2HE LYS 75 2HE LYS 75 -1.506 18.835 -0.857 639 1HZ LYS 75 1HZ LYS 75 -3.342 21.040 -1.629 640 2HZ LYS 75 2HZ LYS 75 -3.410 19.476 -2.289 641 3HZ LYS 75 3HZ LYS 75 -2.034 20.444 -2.528 642 H GLU 76 H GLU 76 -2.343 14.060 3.401 643 HA GLU 76 HA GLU 76 -5.108 13.453 4.380 644 1HB GLU 76 1HB GLU 76 -4.334 12.350 2.296 645 2HB GLU 76 2HB GLU 76 -2.976 11.656 3.183 646 1HG GLU 76 1HG GLU 76 -4.286 10.112 4.253 647 2HG GLU 76 2HG GLU 76 -5.665 11.208 4.362 648 H LYS 77 H LYS 77 -2.004 13.978 5.677 649 HA LYS 77 HA LYS 77 -1.024 13.408 7.717 650 1HB LYS 77 1HB LYS 77 -3.615 13.973 8.139 651 2HB LYS 77 2HB LYS 77 -3.624 12.287 8.658 652 1HG LYS 77 1HG LYS 77 -2.274 12.694 10.471 653 2HG LYS 77 2HG LYS 77 -1.386 13.979 9.652 654 1HD LYS 77 1HD LYS 77 -3.317 15.486 9.899 655 2HD LYS 77 2HD LYS 77 -4.224 14.203 10.701 656 1HE LYS 77 1HE LYS 77 -3.059 14.433 12.671 657 2HE LYS 77 2HE LYS 77 -1.542 14.839 11.842 658 1HZ LYS 77 1HZ LYS 77 -2.637 16.758 12.981 659 2HZ LYS 77 2HZ LYS 77 -3.919 16.616 11.875 660 3HZ LYS 77 3HZ LYS 77 -2.356 16.993 11.325 661 H PHE 78 H PHE 78 -0.865 11.351 5.619 662 HA PHE 78 HA PHE 78 -1.595 8.740 6.613 663 1HB PHE 78 1HB PHE 78 0.225 9.852 4.556 664 2HB PHE 78 2HB PHE 78 0.689 8.266 5.167 665 HD1 PHE 78 HD1 PHE 78 -0.925 9.633 2.540 666 HD2 PHE 78 HD2 PHE 78 -1.743 6.851 5.717 667 HE1 PHE 78 HE1 PHE 78 -2.721 8.604 1.171 668 HE2 PHE 78 HE2 PHE 78 -3.545 5.826 4.342 669 HZ PHE 78 HZ PHE 78 -4.030 6.698 2.072 670 H SER 79 H SER 79 0.606 7.147 6.996 671 HA SER 79 HA SER 79 1.843 8.368 9.416 672 1HB SER 79 1HB SER 79 1.505 6.324 10.441 673 2HB SER 79 2HB SER 79 0.207 6.254 9.261 674 HG SER 79 HG SER 79 1.355 4.385 9.034 675 HA PRO 80 HA PRO 80 5.820 7.511 7.797 676 1HB PRO 80 1HB PRO 80 7.159 5.870 9.506 677 2HB PRO 80 2HB PRO 80 6.793 7.568 9.859 678 1HG PRO 80 1HG PRO 80 5.498 5.109 10.867 679 2HG PRO 80 2HG PRO 80 5.749 6.668 11.666 680 1HD PRO 80 1HD PRO 80 3.377 5.800 10.550 681 2HD PRO 80 2HD PRO 80 3.776 7.492 10.915 682 H LEU 81 H LEU 81 3.720 4.771 7.992 683 HA LEU 81 HA LEU 81 5.603 3.230 6.252 684 1HB LEU 81 1HB LEU 81 3.660 2.512 8.425 685 2HB LEU 81 2HB LEU 81 3.937 1.355 7.114 686 HG LEU 81 HG LEU 81 6.406 2.555 8.216 687 1HD1 LEU 81 1HD1 LEU 81 5.798 2.302 10.386 688 2HD1 LEU 81 2HD1 LEU 81 6.019 0.581 10.082 689 3HD1 LEU 81 3HD1 LEU 81 4.411 1.295 9.983 690 1HD2 LEU 81 1HD2 LEU 81 6.827 -0.064 8.302 691 2HD2 LEU 81 2HD2 LEU 81 6.813 0.791 6.759 692 3HD2 LEU 81 3HD2 LEU 81 5.389 -0.108 7.282 693 H THR 82 H THR 82 3.490 5.392 5.537 694 HA THR 82 HA THR 82 2.002 3.649 3.652 695 HB THR 82 HB THR 82 0.626 5.989 4.977 696 HG1 THR 82 HG1 THR 82 1.212 4.913 6.760 697 1HG2 THR 82 1HG2 THR 82 -1.165 5.032 3.959 698 2HG2 THR 82 2HG2 THR 82 -0.749 3.435 4.554 699 3HG2 THR 82 3HG2 THR 82 -0.029 4.036 3.062 700 H SER 83 H SER 83 4.373 5.634 3.388 701 HA SER 83 HA SER 83 3.128 7.181 1.156 702 1HB SER 83 1HB SER 83 3.844 8.443 3.378 703 2HB SER 83 2HB SER 83 5.478 8.213 2.765 704 HG SER 83 HG SER 83 4.574 10.188 2.059 705 H ASN 84 H ASN 84 4.055 4.743 0.788 706 HA ASN 84 HA ASN 84 6.331 5.048 -1.046 707 1HB ASN 84 1HB ASN 84 6.536 3.865 1.690 708 2HB ASN 84 2HB ASN 84 7.314 2.956 0.394 709 1HD2 ASN 84 1HD2 ASN 84 8.431 4.802 2.684 710 2HD2 ASN 84 2HD2 ASN 84 9.486 5.837 1.848 711 H LEU 85 H LEU 85 4.575 2.579 0.913 712 HA LEU 85 HA LEU 85 4.283 0.619 -1.160 713 1HB LEU 85 1HB LEU 85 3.862 0.116 1.201 714 2HB LEU 85 2HB LEU 85 2.576 1.316 1.272 715 HG LEU 85 HG LEU 85 1.265 -0.002 -0.368 716 1HD1 LEU 85 1HD1 LEU 85 2.165 -2.435 -0.668 717 2HD1 LEU 85 2HD1 LEU 85 3.732 -1.730 -0.269 718 3HD1 LEU 85 3HD1 LEU 85 2.840 -1.157 -1.679 719 1HD2 LEU 85 1HD2 LEU 85 1.258 -0.409 2.194 720 2HD2 LEU 85 2HD2 LEU 85 2.160 -1.877 1.822 721 3HD2 LEU 85 3HD2 LEU 85 0.538 -1.650 1.168 722 H ILE 86 H ILE 86 2.527 3.703 -0.530 723 HA ILE 86 HA ILE 86 0.230 3.056 -2.179 724 HB ILE 86 HB ILE 86 1.505 5.712 -1.427 725 1HG1 ILE 86 1HG1 ILE 86 -0.853 4.166 -0.289 726 2HG1 ILE 86 2HG1 ILE 86 0.720 4.354 0.482 727 1HG2 ILE 86 1HG2 ILE 86 -0.783 6.633 -1.979 728 2HG2 ILE 86 2HG2 ILE 86 -1.179 5.070 -2.694 729 3HG2 ILE 86 3HG2 ILE 86 0.109 6.054 -3.386 730 1HD1 ILE 86 1HD1 ILE 86 0.349 6.856 0.425 731 2HD1 ILE 86 2HD1 ILE 86 -0.765 5.977 1.472 732 3HD1 ILE 86 3HD1 ILE 86 -1.299 6.533 -0.115 733 H ASN 87 H ASN 87 3.404 4.585 -2.890 734 HA ASN 87 HA ASN 87 2.909 5.309 -5.614 735 1HB ASN 87 1HB ASN 87 4.979 5.653 -4.004 736 2HB ASN 87 2HB ASN 87 5.552 4.155 -4.740 737 1HD2 ASN 87 1HD2 ASN 87 5.441 7.564 -5.184 738 2HD2 ASN 87 2HD2 ASN 87 5.875 7.588 -6.824 739 H LEU 88 H LEU 88 4.152 2.206 -4.265 740 HA LEU 88 HA LEU 88 4.523 0.777 -6.699 741 1HB LEU 88 1HB LEU 88 3.947 0.113 -3.854 742 2HB LEU 88 2HB LEU 88 3.580 -1.156 -5.018 743 HG LEU 88 HG LEU 88 5.906 -0.791 -5.977 744 1HD1 LEU 88 1HD1 LEU 88 7.515 0.419 -4.676 745 2HD1 LEU 88 2HD1 LEU 88 6.382 0.615 -3.339 746 3HD1 LEU 88 3HD1 LEU 88 6.121 1.484 -4.852 747 1HD2 LEU 88 1HD2 LEU 88 5.932 -2.729 -4.755 748 2HD2 LEU 88 2HD2 LEU 88 5.186 -1.973 -3.347 749 3HD2 LEU 88 3HD2 LEU 88 6.912 -1.768 -3.647 750 H LEU 89 H LEU 89 1.524 1.224 -4.768 751 HA LEU 89 HA LEU 89 -0.189 -0.443 -6.367 752 1HB LEU 89 1HB LEU 89 -0.718 2.060 -4.727 753 2HB LEU 89 2HB LEU 89 -2.001 1.051 -5.399 754 HG LEU 89 HG LEU 89 0.189 -0.011 -3.594 755 1HD1 LEU 89 1HD1 LEU 89 -2.685 0.634 -2.854 756 2HD1 LEU 89 2HD1 LEU 89 -1.325 1.693 -2.483 757 3HD1 LEU 89 3HD1 LEU 89 -1.403 0.081 -1.774 758 1HD2 LEU 89 1HD2 LEU 89 -1.508 -1.881 -3.365 759 2HD2 LEU 89 2HD2 LEU 89 -0.791 -1.724 -4.970 760 3HD2 LEU 89 3HD2 LEU 89 -2.419 -1.116 -4.667 761 H ALA 90 H ALA 90 0.750 3.009 -6.718 762 HA ALA 90 HA ALA 90 -0.764 3.089 -9.300 763 1HB ALA 90 1HB ALA 90 -0.558 4.835 -7.144 764 2HB ALA 90 2HB ALA 90 -1.184 5.248 -8.741 765 3HB ALA 90 3HB ALA 90 0.507 5.555 -8.351 766 H GLU 91 H GLU 91 2.034 1.780 -8.824 767 HA GLU 91 HA GLU 91 3.659 3.561 -10.609 768 1HB GLU 91 1HB GLU 91 4.644 2.806 -8.461 769 2HB GLU 91 2HB GLU 91 4.394 1.127 -8.940 770 1HG GLU 91 1HG GLU 91 6.671 1.606 -9.468 771 2HG GLU 91 2HG GLU 91 5.808 1.659 -11.006 772 H ASN 92 H ASN 92 2.996 0.029 -10.202 773 HA ASN 92 HA ASN 92 3.485 -0.348 -13.120 774 1HB ASN 92 1HB ASN 92 3.251 -2.108 -10.688 775 2HB ASN 92 2HB ASN 92 3.079 -2.817 -12.294 776 1HD2 ASN 92 1HD2 ASN 92 5.388 -2.844 -10.129 777 2HD2 ASN 92 2HD2 ASN 92 6.761 -2.480 -11.058 778 H GLY 93 H GLY 93 0.823 -0.589 -10.721 779 1HA GLY 93 1HA GLY 93 -1.385 0.066 -11.937 780 2HA GLY 93 2HA GLY 93 -1.029 -1.352 -12.926 781 H ARG 94 H ARG 94 -1.108 -0.556 -9.391 782 HA ARG 94 HA ARG 94 -2.552 -3.162 -9.005 783 1HB ARG 94 1HB ARG 94 -0.186 -1.892 -7.742 784 2HB ARG 94 2HB ARG 94 -1.303 -2.694 -6.637 785 1HG ARG 94 1HG ARG 94 -1.011 -4.788 -7.657 786 2HG ARG 94 2HG ARG 94 -0.401 -4.080 -9.152 787 1HD ARG 94 1HD ARG 94 1.459 -3.172 -7.352 788 2HD ARG 94 2HD ARG 94 1.061 -4.765 -6.679 789 HE ARG 94 HE ARG 94 2.236 -4.266 -9.347 790 1HH1 ARG 94 1HH1 ARG 94 2.444 -6.348 -6.854 791 2HH1 ARG 94 2HH1 ARG 94 2.219 -7.808 -7.758 792 1HH2 ARG 94 1HH2 ARG 94 1.201 -6.179 -10.645 793 2HH2 ARG 94 2HH2 ARG 94 1.516 -7.713 -9.904 794 H LEU 95 H LEU 95 -3.773 -0.391 -9.350 795 HA LEU 95 HA LEU 95 -4.867 -0.003 -6.582 796 1HB LEU 95 1HB LEU 95 -4.534 1.722 -9.036 797 2HB LEU 95 2HB LEU 95 -5.727 2.163 -7.813 798 HG LEU 95 HG LEU 95 -2.838 1.568 -7.138 799 1HD1 LEU 95 1HD1 LEU 95 -2.463 3.484 -8.344 800 2HD1 LEU 95 2HD1 LEU 95 -3.014 4.239 -6.850 801 3HD1 LEU 95 3HD1 LEU 95 -4.132 4.030 -8.198 802 1HD2 LEU 95 1HD2 LEU 95 -4.380 1.404 -5.257 803 2HD2 LEU 95 2HD2 LEU 95 -5.114 2.951 -5.680 804 3HD2 LEU 95 3HD2 LEU 95 -3.452 2.895 -5.095 805 H THR 96 H THR 96 -5.699 -2.201 -8.428 806 HA THR 96 HA THR 96 -8.554 -1.426 -8.902 807 HB THR 96 HB THR 96 -7.192 -3.870 -10.025 808 HG1 THR 96 HG1 THR 96 -6.362 -2.655 -11.678 809 1HG2 THR 96 1HG2 THR 96 -9.055 -2.066 -11.511 810 2HG2 THR 96 2HG2 THR 96 -9.717 -3.066 -10.217 811 3HG2 THR 96 3HG2 THR 96 -8.898 -3.821 -11.585 812 H ASN 97 H ASN 97 -6.457 -4.227 -7.968 813 HA ASN 97 HA ASN 97 -8.645 -5.183 -6.174 814 1HB ASN 97 1HB ASN 97 -6.123 -6.482 -7.272 815 2HB ASN 97 2HB ASN 97 -7.282 -7.291 -6.215 816 1HD2 ASN 97 1HD2 ASN 97 -6.850 -5.956 -9.508 817 2HD2 ASN 97 2HD2 ASN 97 -8.228 -6.704 -10.158 818 H THR 98 H THR 98 -6.943 -2.822 -5.455 819 HA THR 98 HA THR 98 -4.774 -3.531 -3.776 820 HB THR 98 HB THR 98 -5.357 -1.231 -4.553 821 HG1 THR 98 HG1 THR 98 -3.895 -1.394 -2.908 822 1HG2 THR 98 1HG2 THR 98 -7.433 -1.404 -2.355 823 2HG2 THR 98 2HG2 THR 98 -7.761 -1.262 -4.083 824 3HG2 THR 98 3HG2 THR 98 -6.987 0.067 -3.220 825 HA PRO 99 HA PRO 99 -7.965 -3.803 -0.103 826 1HB PRO 99 1HB PRO 99 -10.217 -5.259 -0.750 827 2HB PRO 99 2HB PRO 99 -10.170 -3.483 -0.699 828 1HG PRO 99 1HG PRO 99 -9.842 -5.306 -3.054 829 2HG PRO 99 2HG PRO 99 -10.862 -3.863 -2.889 830 1HD PRO 99 1HD PRO 99 -8.573 -3.664 -4.141 831 2HD PRO 99 2HD PRO 99 -9.035 -2.407 -2.990 832 H ALA 100 H ALA 100 -7.765 -6.267 -2.713 833 HA ALA 100 HA ALA 100 -7.644 -8.595 -1.005 834 1HB ALA 100 1HB ALA 100 -6.801 -9.708 -2.955 835 2HB ALA 100 2HB ALA 100 -6.110 -8.217 -3.595 836 3HB ALA 100 3HB ALA 100 -7.859 -8.440 -3.574 837 H VAL 101 H VAL 101 -5.122 -6.296 -2.127 838 HA VAL 101 HA VAL 101 -2.854 -7.703 -1.011 839 HB VAL 101 HB VAL 101 -3.298 -4.728 -1.480 840 1HG1 VAL 101 1HG1 VAL 101 -1.316 -4.688 -0.315 841 2HG1 VAL 101 2HG1 VAL 101 -0.666 -5.099 -1.903 842 3HG1 VAL 101 3HG1 VAL 101 -0.932 -6.365 -0.705 843 1HG2 VAL 101 1HG2 VAL 101 -1.683 -6.311 -3.384 844 2HG2 VAL 101 2HG2 VAL 101 -2.899 -5.072 -3.696 845 3HG2 VAL 101 3HG2 VAL 101 -3.395 -6.729 -3.357 846 H ILE 102 H ILE 102 -5.227 -5.445 0.432 847 HA ILE 102 HA ILE 102 -3.671 -5.076 2.894 848 HB ILE 102 HB ILE 102 -6.593 -4.526 2.248 849 1HG1 ILE 102 1HG1 ILE 102 -4.191 -2.670 2.233 850 2HG1 ILE 102 2HG1 ILE 102 -4.919 -3.357 0.785 851 1HG2 ILE 102 1HG2 ILE 102 -6.378 -2.890 4.142 852 2HG2 ILE 102 2HG2 ILE 102 -4.793 -3.577 4.499 853 3HG2 ILE 102 3HG2 ILE 102 -6.240 -4.573 4.654 854 1HD1 ILE 102 1HD1 ILE 102 -6.538 -1.773 2.783 855 2HD1 ILE 102 2HD1 ILE 102 -6.957 -2.181 1.119 856 3HD1 ILE 102 3HD1 ILE 102 -5.691 -0.999 1.444 857 H SER 103 H SER 103 -6.326 -7.267 1.868 858 HA SER 103 HA SER 103 -7.073 -8.275 4.439 859 1HB SER 103 1HB SER 103 -6.951 -9.532 1.681 860 2HB SER 103 2HB SER 103 -7.604 -10.398 3.069 861 HG SER 103 HG SER 103 -9.194 -8.886 3.257 862 H ALA 104 H ALA 104 -4.463 -9.391 2.222 863 HA ALA 104 HA ALA 104 -3.485 -11.540 3.858 864 1HB ALA 104 1HB ALA 104 -2.600 -11.395 1.671 865 2HB ALA 104 2HB ALA 104 -1.248 -10.857 2.667 866 3HB ALA 104 3HB ALA 104 -2.252 -9.674 1.827 867 H PHE 105 H PHE 105 -2.994 -8.010 4.103 868 HA PHE 105 HA PHE 105 -0.762 -7.927 5.868 869 1HB PHE 105 1HB PHE 105 -2.154 -6.042 4.709 870 2HB PHE 105 2HB PHE 105 -3.170 -6.120 6.148 871 HD1 PHE 105 HD1 PHE 105 -0.070 -4.946 4.754 872 HD2 PHE 105 HD2 PHE 105 -2.084 -5.793 8.435 873 HE1 PHE 105 HE1 PHE 105 1.573 -3.559 5.958 874 HE2 PHE 105 HE2 PHE 105 -0.435 -4.406 9.649 875 HZ PHE 105 HZ PHE 105 1.403 -3.309 8.408 876 H SER 106 H SER 106 -4.265 -8.262 6.637 877 HA SER 106 HA SER 106 -3.845 -8.337 9.515 878 1HB SER 106 1HB SER 106 -6.087 -9.281 7.702 879 2HB SER 106 2HB SER 106 -6.190 -9.362 9.457 880 HG SER 106 HG SER 106 -6.992 -7.390 8.269 881 H THR 107 H THR 107 -4.001 -10.891 6.998 882 HA THR 107 HA THR 107 -3.858 -13.075 8.938 883 HB THR 107 HB THR 107 -2.975 -13.248 6.051 884 HG1 THR 107 HG1 THR 107 -5.103 -13.258 5.443 885 1HG2 THR 107 1HG2 THR 107 -2.867 -15.264 7.477 886 2HG2 THR 107 2HG2 THR 107 -4.075 -15.443 6.205 887 3HG2 THR 107 3HG2 THR 107 -4.580 -15.082 7.856 888 H MET 108 H MET 108 -1.427 -11.242 7.025 889 HA MET 108 HA MET 108 0.770 -12.975 7.915 890 1HB MET 108 1HB MET 108 0.629 -10.239 6.611 891 2HB MET 108 2HB MET 108 2.152 -11.061 6.961 892 1HG MET 108 1HG MET 108 -0.077 -12.282 5.311 893 2HG MET 108 2HG MET 108 1.306 -11.438 4.616 894 1HE MET 108 1HE MET 108 0.722 -15.593 5.558 895 2HE MET 108 2HE MET 108 -0.342 -14.209 5.798 896 3HE MET 108 3HE MET 108 0.634 -14.805 7.138 897 H MET 109 H MET 109 -0.693 -9.893 9.027 898 HA MET 109 HA MET 109 1.318 -9.201 10.976 899 1HB MET 109 1HB MET 109 -0.596 -7.749 10.250 900 2HB MET 109 2HB MET 109 -1.707 -8.817 11.107 901 1HG MET 109 1HG MET 109 0.622 -7.754 12.640 902 2HG MET 109 2HG MET 109 -0.680 -6.626 12.263 903 1HE MET 109 1HE MET 109 -2.341 -6.162 13.851 904 2HE MET 109 2HE MET 109 -0.929 -6.336 14.890 905 3HE MET 109 3HE MET 109 -2.475 -7.013 15.397 906 H SER 110 H SER 110 -1.550 -11.410 11.186 907 HA SER 110 HA SER 110 -1.333 -12.003 13.989 908 1HB SER 110 1HB SER 110 -2.151 -13.771 11.652 909 2HB SER 110 2HB SER 110 -2.452 -14.162 13.342 910 HG SER 110 HG SER 110 -4.247 -13.127 12.430 911 H VAL 111 H VAL 111 0.594 -13.227 11.235 912 HA VAL 111 HA VAL 111 1.934 -15.276 12.857 913 HB VAL 111 HB VAL 111 2.689 -14.036 10.185 914 1HG1 VAL 111 1HG1 VAL 111 4.595 -15.203 10.943 915 2HG1 VAL 111 2HG1 VAL 111 3.751 -16.397 9.957 916 3HG1 VAL 111 3HG1 VAL 111 3.628 -16.460 11.716 917 1HG2 VAL 111 1HG2 VAL 111 1.663 -16.432 9.547 918 2HG2 VAL 111 2HG2 VAL 111 0.650 -14.994 9.678 919 3HG2 VAL 111 3HG2 VAL 111 0.735 -16.137 11.018 920 H HIS 112 H HIS 112 2.287 -11.837 12.766 921 HA HIS 112 HA HIS 112 5.178 -11.889 13.304 922 1HB HIS 112 1HB HIS 112 5.053 -9.713 12.631 923 2HB HIS 112 2HB HIS 112 3.448 -10.140 12.067 924 HD1 HIS 112 HD1 HIS 112 1.528 -9.803 14.138 925 HD2 HIS 112 HD2 HIS 112 5.006 -7.588 14.256 926 HE1 HIS 112 HE1 HIS 112 1.078 -7.886 15.715 927 H ARG 113 H ARG 113 2.111 -11.812 15.106 928 HA ARG 113 HA ARG 113 3.528 -11.057 17.616 929 1HB ARG 113 1HB ARG 113 1.035 -10.510 16.571 930 2HB ARG 113 2HB ARG 113 0.672 -11.814 17.702 931 1HG ARG 113 1HG ARG 113 1.539 -10.608 19.550 932 2HG ARG 113 2HG ARG 113 2.379 -9.457 18.509 933 1HD ARG 113 1HD ARG 113 0.395 -8.349 19.364 934 2HD ARG 113 2HD ARG 113 0.082 -8.731 17.658 935 HE ARG 113 HE ARG 113 -1.085 -10.817 18.503 936 1HH1 ARG 113 1HH1 ARG 113 -2.807 -8.491 19.134 937 2HH1 ARG 113 2HH1 ARG 113 -3.121 -8.696 20.825 938 1HH2 ARG 113 1HH2 ARG 113 -0.512 -10.928 21.310 939 2HH2 ARG 113 2HH2 ARG 113 -1.821 -10.076 22.057 940 H GLY 114 H GLY 114 1.926 -13.901 16.108 941 1HA GLY 114 1HA GLY 114 1.700 -15.580 18.350 942 2HA GLY 114 2HA GLY 114 2.007 -16.158 16.714 943 H GLU 115 H GLU 115 4.631 -14.837 16.419 944 HA GLU 115 HA GLU 115 6.201 -16.721 18.130 945 1HB GLU 115 1HB GLU 115 6.760 -15.159 15.591 946 2HB GLU 115 2HB GLU 115 8.011 -16.068 16.440 947 1HG GLU 115 1HG GLU 115 5.451 -17.486 15.860 948 2HG GLU 115 2HG GLU 115 6.530 -17.177 14.500 949 H VAL 116 H VAL 116 5.375 -14.705 19.761 950 HA VAL 116 HA VAL 116 7.776 -12.915 19.969 951 HB VAL 116 HB VAL 116 4.850 -12.302 20.519 952 1HG1 VAL 116 1HG1 VAL 116 6.227 -11.045 22.049 953 2HG1 VAL 116 2HG1 VAL 116 5.746 -9.945 20.756 954 3HG1 VAL 116 3HG1 VAL 116 7.369 -10.635 20.769 955 1HG2 VAL 116 1HG2 VAL 116 5.220 -12.360 18.143 956 2HG2 VAL 116 2HG2 VAL 116 6.751 -11.499 18.300 957 3HG2 VAL 116 3HG2 VAL 116 5.231 -10.661 18.613 958 HA PRO 117 HA PRO 117 7.409 -15.270 23.879 959 1HB PRO 117 1HB PRO 117 10.061 -15.108 24.541 960 2HB PRO 117 2HB PRO 117 9.414 -16.341 23.440 961 1HG PRO 117 1HG PRO 117 10.844 -13.808 22.812 962 2HG PRO 117 2HG PRO 117 10.969 -15.396 22.041 963 1HD PRO 117 1HD PRO 117 9.555 -13.322 20.984 964 2HD PRO 117 2HD PRO 117 9.158 -15.029 20.691 965 H CYS 118 H CYS 118 6.294 -13.656 25.120 966 HA CYS 118 HA CYS 118 8.060 -11.675 26.490 967 1HB CYS 118 1HB CYS 118 5.723 -11.213 24.680 968 2HB CYS 118 2HB CYS 118 5.906 -10.144 26.071 969 HG CYS 118 HG CYS 118 8.486 -9.844 25.087 970 H THR 119 H THR 119 6.999 -14.125 27.593 971 HA THR 119 HA THR 119 4.818 -13.098 29.383 972 HB THR 119 HB THR 119 5.549 -15.962 28.702 973 HG1 THR 119 HG1 THR 119 3.997 -15.852 27.145 974 1HG2 THR 119 1HG2 THR 119 4.158 -15.298 30.793 975 2HG2 THR 119 2HG2 THR 119 3.519 -16.551 29.731 976 3HG2 THR 119 3HG2 THR 119 2.887 -14.907 29.635 977 H VAL 120 H VAL 120 5.176 -13.252 31.650 978 HA VAL 120 HA VAL 120 7.609 -14.706 32.577 979 HB VAL 120 HB VAL 120 8.206 -12.359 32.047 980 1HG1 VAL 120 1HG1 VAL 120 7.193 -10.519 33.329 981 2HG1 VAL 120 2HG1 VAL 120 6.106 -11.658 34.120 982 3HG1 VAL 120 3HG1 VAL 120 5.969 -11.368 32.387 983 1HG2 VAL 120 1HG2 VAL 120 8.154 -12.319 35.019 984 2HG2 VAL 120 2HG2 VAL 120 9.515 -12.127 33.913 985 3HG2 VAL 120 3HG2 VAL 120 8.888 -13.737 34.271 986 1H GLN 1 1H GLN 1 22.221 -6.717 -16.543 987 2H GLN 1 2H GLN 1 22.361 -5.055 -16.866 988 3H GLN 1 3H GLN 1 23.710 -6.073 -17.038 989 HA GLN 1 HA GLN 1 22.895 -5.622 -19.225 990 1HB GLN 1 1HB GLN 1 22.625 -8.258 -17.884 991 2HB GLN 1 2HB GLN 1 21.924 -8.147 -19.498 992 1HG GLN 1 1HG GLN 1 24.149 -8.786 -19.926 993 2HG GLN 1 2HG GLN 1 24.180 -7.038 -20.160 994 1HE2 GLN 1 1HE2 GLN 1 25.895 -9.502 -18.646 995 2HE2 GLN 1 2HE2 GLN 1 26.616 -8.593 -17.407 996 H LYS 2 H LYS 2 20.278 -7.311 -17.365 997 HA LYS 2 HA LYS 2 18.295 -5.760 -19.003 998 1HB LYS 2 1HB LYS 2 18.458 -8.596 -18.012 999 2HB LYS 2 2HB LYS 2 16.878 -7.874 -18.318 1000 1HG LYS 2 1HG LYS 2 17.222 -7.738 -20.592 1001 2HG LYS 2 2HG LYS 2 18.967 -7.536 -20.420 1002 1HD LYS 2 1HD LYS 2 18.548 -9.730 -21.363 1003 2HD LYS 2 2HD LYS 2 19.110 -9.939 -19.704 1004 1HE LYS 2 1HE LYS 2 16.812 -10.253 -18.920 1005 2HE LYS 2 2HE LYS 2 16.190 -9.942 -20.553 1006 1HZ LYS 2 1HZ LYS 2 16.415 -12.298 -20.274 1007 2HZ LYS 2 2HZ LYS 2 18.016 -12.138 -19.728 1008 3HZ LYS 2 3HZ LYS 2 17.626 -11.778 -21.342 1009 H THR 3 H THR 3 16.030 -5.821 -17.676 1010 HA THR 3 HA THR 3 16.536 -5.453 -14.757 1011 HB THR 3 HB THR 3 15.109 -3.425 -16.500 1012 HG1 THR 3 HG1 THR 3 17.000 -2.319 -16.586 1013 1HG2 THR 3 1HG2 THR 3 16.424 -2.902 -13.855 1014 2HG2 THR 3 2HG2 THR 3 14.838 -3.672 -13.895 1015 3HG2 THR 3 3HG2 THR 3 15.060 -2.073 -14.605 1016 H GLY 4 H GLY 4 14.837 -6.371 -13.581 1017 1HA GLY 4 1HA GLY 4 12.196 -6.631 -14.960 1018 2HA GLY 4 2HA GLY 4 12.900 -7.997 -14.094 1019 H THR 5 H THR 5 11.708 -8.241 -12.206 1020 HA THR 5 HA THR 5 11.209 -5.758 -10.591 1021 HB THR 5 HB THR 5 9.543 -8.285 -10.858 1022 HG1 THR 5 HG1 THR 5 8.240 -7.070 -12.130 1023 1HG2 THR 5 1HG2 THR 5 7.862 -7.014 -9.583 1024 2HG2 THR 5 2HG2 THR 5 8.985 -5.662 -9.445 1025 3HG2 THR 5 3HG2 THR 5 9.349 -7.194 -8.653 1026 H ALA 6 H ALA 6 11.296 -9.365 -10.186 1027 HA ALA 6 HA ALA 6 12.190 -10.667 -8.433 1028 1HB ALA 6 1HB ALA 6 14.440 -10.283 -8.304 1029 2HB ALA 6 2HB ALA 6 14.220 -8.604 -7.809 1030 3HB ALA 6 3HB ALA 6 14.110 -9.043 -9.514 1031 H GLU 7 H GLU 7 9.995 -9.002 -7.571 1032 HA GLU 7 HA GLU 7 9.023 -8.173 -5.590 1033 1HB GLU 7 1HB GLU 7 11.464 -9.486 -4.340 1034 2HB GLU 7 2HB GLU 7 9.948 -9.109 -3.527 1035 1HG GLU 7 1HG GLU 7 8.829 -10.597 -5.313 1036 2HG GLU 7 2HG GLU 7 10.457 -11.183 -5.657 1037 H VAL 8 H VAL 8 10.225 -6.174 -6.923 1038 HA VAL 8 HA VAL 8 12.440 -4.820 -5.734 1039 HB VAL 8 HB VAL 8 9.930 -3.673 -7.024 1040 1HG1 VAL 8 1HG1 VAL 8 11.331 -2.036 -5.695 1041 2HG1 VAL 8 2HG1 VAL 8 11.217 -1.666 -7.416 1042 3HG1 VAL 8 3HG1 VAL 8 12.677 -2.415 -6.769 1043 1HG2 VAL 8 1HG2 VAL 8 11.692 -3.507 -8.963 1044 2HG2 VAL 8 2HG2 VAL 8 10.906 -5.054 -8.647 1045 3HG2 VAL 8 3HG2 VAL 8 12.541 -4.757 -8.053 1046 H SER 9 H SER 9 8.953 -4.690 -4.865 1047 HA SER 9 HA SER 9 9.111 -2.687 -2.824 1048 1HB SER 9 1HB SER 9 7.097 -4.075 -3.854 1049 2HB SER 9 2HB SER 9 7.396 -5.139 -2.483 1050 HG SER 9 HG SER 9 5.940 -3.583 -1.842 1051 H SER 10 H SER 10 9.818 -6.206 -2.703 1052 HA SER 10 HA SER 10 10.288 -6.308 0.168 1053 1HB SER 10 1HB SER 10 10.965 -7.989 -2.236 1054 2HB SER 10 2HB SER 10 11.725 -8.367 -0.691 1055 HG SER 10 HG SER 10 9.592 -9.374 -1.245 1056 H ILE 11 H ILE 11 12.449 -5.814 -2.663 1057 HA ILE 11 HA ILE 11 14.900 -5.660 -1.124 1058 HB ILE 11 HB ILE 11 14.150 -4.417 -3.801 1059 1HG1 ILE 11 1HG1 ILE 11 15.819 -6.869 -3.629 1060 2HG1 ILE 11 2HG1 ILE 11 14.124 -7.070 -3.188 1061 1HG2 ILE 11 1HG2 ILE 11 16.165 -3.374 -3.294 1062 2HG2 ILE 11 2HG2 ILE 11 16.748 -4.847 -4.068 1063 3HG2 ILE 11 3HG2 ILE 11 16.733 -4.722 -2.308 1064 1HD1 ILE 11 1HD1 ILE 11 14.675 -5.486 -5.644 1065 2HD1 ILE 11 2HD1 ILE 11 13.375 -6.632 -5.312 1066 3HD1 ILE 11 3HD1 ILE 11 14.982 -7.220 -5.738 1067 H LEU 12 H LEU 12 12.531 -3.171 -2.183 1068 HA LEU 12 HA LEU 12 13.994 -0.871 -1.267 1069 1HB LEU 12 1HB LEU 12 11.730 -1.183 -2.629 1070 2HB LEU 12 2HB LEU 12 11.002 -1.018 -1.032 1071 HG LEU 12 HG LEU 12 13.041 0.948 -2.088 1072 1HD1 LEU 12 1HD1 LEU 12 11.235 1.088 -3.650 1073 2HD1 LEU 12 2HD1 LEU 12 10.985 2.403 -2.501 1074 3HD1 LEU 12 3HD1 LEU 12 10.029 0.927 -2.373 1075 1HD2 LEU 12 1HD2 LEU 12 11.467 2.303 -0.369 1076 2HD2 LEU 12 2HD2 LEU 12 12.883 1.397 0.164 1077 3HD2 LEU 12 3HD2 LEU 12 11.277 0.681 0.299 1078 H GLU 13 H GLU 13 11.782 -3.107 0.478 1079 HA GLU 13 HA GLU 13 11.564 -1.625 2.919 1080 1HB GLU 13 1HB GLU 13 10.260 -3.668 2.314 1081 2HB GLU 13 2HB GLU 13 11.716 -4.639 2.539 1082 1HG GLU 13 1HG GLU 13 10.983 -2.841 4.789 1083 2HG GLU 13 2HG GLU 13 9.912 -4.215 4.514 1084 H GLU 14 H GLU 14 14.127 -3.888 1.814 1085 HA GLU 14 HA GLU 14 15.598 -4.072 4.260 1086 1HB GLU 14 1HB GLU 14 15.883 -5.175 1.858 1087 2HB GLU 14 2HB GLU 14 17.022 -3.849 1.623 1088 1HG GLU 14 1HG GLU 14 18.399 -4.562 3.412 1089 2HG GLU 14 2HG GLU 14 17.140 -5.605 4.075 1090 H ARG 15 H ARG 15 15.662 -1.527 1.731 1091 HA ARG 15 HA ARG 15 17.930 -0.061 2.666 1092 1HB ARG 15 1HB ARG 15 16.283 0.214 0.592 1093 2HB ARG 15 2HB ARG 15 15.497 1.379 1.657 1094 1HG ARG 15 1HG ARG 15 18.002 2.203 2.023 1095 2HG ARG 15 2HG ARG 15 18.226 1.467 0.436 1096 1HD ARG 15 1HD ARG 15 17.556 3.583 -0.241 1097 2HD ARG 15 2HD ARG 15 15.952 2.844 -0.056 1098 HE ARG 15 HE ARG 15 15.632 4.167 1.877 1099 1HH1 ARG 15 1HH2 ARG 15 18.259 5.444 0.447 1100 2HH1 ARG 15 2HH2 ARG 15 19.095 5.920 1.888 1101 1HH2 ARG 15 1HH1 ARG 15 17.008 4.134 4.004 1102 2HH2 ARG 15 2HH1 ARG 15 18.386 5.178 3.902 1103 H ILE 16 H ILE 16 14.542 -0.035 3.848 1104 HA ILE 16 HA ILE 16 15.168 2.159 5.755 1105 HB ILE 16 HB ILE 16 12.668 0.471 5.359 1106 1HG1 ILE 16 1HG1 ILE 16 13.300 3.264 4.352 1107 2HG1 ILE 16 2HG1 ILE 16 13.381 1.811 3.355 1108 1HG2 ILE 16 1HG2 ILE 16 11.624 2.542 6.461 1109 2HG2 ILE 16 2HG2 ILE 16 13.264 2.981 6.939 1110 3HG2 ILE 16 3HG2 ILE 16 12.550 1.475 7.516 1111 1HD1 ILE 16 1HD1 ILE 16 11.004 3.260 4.400 1112 2HD1 ILE 16 2HD1 ILE 16 10.905 1.499 4.387 1113 3HD1 ILE 16 3HD1 ILE 16 11.208 2.376 2.887 1114 H LEU 17 H LEU 17 14.215 -1.326 5.926 1115 HA LEU 17 HA LEU 17 15.565 -1.440 8.593 1116 1HB LEU 17 1HB LEU 17 12.791 -1.393 8.128 1117 2HB LEU 17 2HB LEU 17 13.163 -3.092 8.415 1118 HG LEU 17 HG LEU 17 14.192 -0.903 10.225 1119 1HD1 LEU 17 1HD1 LEU 17 12.283 -1.032 11.564 1120 2HD1 LEU 17 2HD1 LEU 17 11.794 -2.587 10.890 1121 3HD1 LEU 17 3HD1 LEU 17 11.585 -1.112 9.945 1122 1HD2 LEU 17 1HD2 LEU 17 15.366 -2.953 10.537 1123 2HD2 LEU 17 2HD2 LEU 17 13.892 -3.909 10.381 1124 3HD2 LEU 17 3HD2 LEU 17 14.155 -2.921 11.818 1125 H GLY 18 H GLY 18 16.755 -3.376 8.884 1126 1HA GLY 18 1HA GLY 18 16.692 -5.280 6.590 1127 2HA GLY 18 2HA GLY 18 18.036 -5.089 7.718 1128 H ALA 19 H ALA 19 18.145 -7.228 8.534 1129 HA ALA 19 HA ALA 19 17.486 -9.115 9.784 1130 1HB ALA 19 1HB ALA 19 17.319 -7.712 11.640 1131 2HB ALA 19 2HB ALA 19 15.677 -8.352 11.564 1132 3HB ALA 19 3HB ALA 19 16.029 -6.748 10.919 1133 H ASP 20 H ASP 20 16.483 -10.129 7.798 1134 HA ASP 20 HA ASP 20 13.533 -10.422 8.154 1135 1HB ASP 20 1HB ASP 20 14.543 -8.720 6.322 1136 2HB ASP 20 2HB ASP 20 14.612 -10.212 5.383 1137 H THR 21 H THR 21 15.486 -12.338 8.964 1138 HA THR 21 HA THR 21 15.261 -14.422 6.813 1139 HB THR 21 HB THR 21 17.294 -15.325 8.235 1140 HG1 THR 21 HG1 THR 21 17.236 -13.883 9.894 1141 1HG2 THR 21 1HG2 THR 21 17.252 -14.338 5.867 1142 2HG2 THR 21 2HG2 THR 21 18.782 -14.234 6.738 1143 3HG2 THR 21 3HG2 THR 21 17.739 -12.817 6.614 1144 H SER 22 H SER 22 13.018 -14.205 8.431 1145 HA SER 22 HA SER 22 13.384 -16.360 10.491 1146 1HB SER 22 1HB SER 22 11.098 -14.410 10.419 1147 2HB SER 22 2HB SER 22 11.829 -15.207 11.808 1148 HG SER 22 HG SER 22 13.554 -13.844 11.676 1149 H VAL 23 H VAL 23 13.004 -17.188 7.805 1150 HA VAL 23 HA VAL 23 10.118 -18.029 7.805 1151 HB VAL 23 HB VAL 23 12.026 -17.520 5.493 1152 1HG1 VAL 23 1HG1 VAL 23 9.954 -19.246 5.438 1153 2HG1 VAL 23 2HG1 VAL 23 10.390 -18.247 4.052 1154 3HG1 VAL 23 3HG1 VAL 23 9.080 -17.748 5.121 1155 1HG2 VAL 23 1HG2 VAL 23 9.705 -15.929 6.622 1156 2HG2 VAL 23 2HG2 VAL 23 10.421 -15.615 5.042 1157 3HG2 VAL 23 3HG2 VAL 23 11.389 -15.418 6.505 1158 H ASP 24 H ASP 24 10.512 -20.077 8.890 1159 HA ASP 24 HA ASP 24 12.333 -21.953 7.410 1160 1HB ASP 24 1HB ASP 24 12.886 -21.225 9.792 1161 2HB ASP 24 2HB ASP 24 11.431 -22.084 10.300 1162 H LEU 25 H LEU 25 11.357 -23.836 6.591 1163 HA LEU 25 HA LEU 25 8.653 -24.578 7.637 1164 1HB LEU 25 1HB LEU 25 9.013 -23.139 5.358 1165 2HB LEU 25 2HB LEU 25 9.133 -24.777 4.712 1166 HG LEU 25 HG LEU 25 6.874 -23.870 6.513 1167 1HD1 LEU 25 1HD1 LEU 25 5.551 -23.433 4.604 1168 2HD1 LEU 25 2HD1 LEU 25 6.689 -24.239 3.524 1169 3HD1 LEU 25 3HD1 LEU 25 7.098 -22.674 4.225 1170 1HD2 LEU 25 1HD2 LEU 25 5.807 -25.912 5.776 1171 2HD2 LEU 25 2HD2 LEU 25 7.428 -26.329 6.329 1172 3HD2 LEU 25 3HD2 LEU 25 7.088 -26.216 4.602 Start of MODEL 19 1 1H PHE 1 1H PHE 1 -30.951 -22.624 0.445 2 2H PHE 1 2H PHE 1 -29.727 -23.641 -0.148 3 3H PHE 1 3H PHE 1 -30.011 -22.135 -0.879 4 HA PHE 1 HA PHE 1 -28.046 -21.976 0.495 5 1HB PHE 1 1HB PHE 1 -30.561 -20.522 0.795 6 2HB PHE 1 2HB PHE 1 -29.571 -20.391 2.248 7 HD1 PHE 1 HD1 PHE 1 -27.179 -19.597 2.047 8 HD2 PHE 1 HD2 PHE 1 -29.972 -19.375 -1.209 9 HE1 PHE 1 HE1 PHE 1 -25.719 -17.946 0.908 10 HE2 PHE 1 HE2 PHE 1 -28.513 -17.725 -2.347 11 HZ PHE 1 HZ PHE 1 -26.387 -17.010 -1.290 12 H ALA 2 H ALA 2 -26.963 -22.918 2.238 13 HA ALA 2 HA ALA 2 -28.555 -23.769 4.614 14 1HB ALA 2 1HB ALA 2 -27.039 -25.936 4.360 15 2HB ALA 2 2HB ALA 2 -27.013 -25.449 2.666 16 3HB ALA 2 3HB ALA 2 -28.549 -25.793 3.460 17 H LYS 3 H LYS 3 -25.170 -24.200 3.395 18 HA LYS 3 HA LYS 3 -24.194 -22.523 5.661 19 1HB LYS 3 1HB LYS 3 -23.967 -25.459 5.281 20 2HB LYS 3 2HB LYS 3 -22.484 -24.641 5.775 21 1HG LYS 3 1HG LYS 3 -23.422 -23.873 7.782 22 2HG LYS 3 2HG LYS 3 -25.074 -24.055 7.190 23 1HD LYS 3 1HD LYS 3 -25.153 -26.288 7.686 24 2HD LYS 3 2HD LYS 3 -23.451 -26.540 7.297 25 1HE LYS 3 1HE LYS 3 -23.816 -26.816 9.725 26 2HE LYS 3 2HE LYS 3 -22.834 -25.368 9.426 27 1HZ LYS 3 1HZ LYS 3 -24.777 -25.002 10.933 28 2HZ LYS 3 2HZ LYS 3 -25.795 -25.327 9.612 29 3HZ LYS 3 3HZ LYS 3 -24.745 -23.991 9.570 30 H LEU 4 H LEU 4 -21.731 -22.134 5.393 31 HA LEU 4 HA LEU 4 -20.995 -22.175 2.480 32 1HB LEU 4 1HB LEU 4 -20.457 -20.129 4.660 33 2HB LEU 4 2HB LEU 4 -19.856 -20.014 3.006 34 HG LEU 4 HG LEU 4 -22.799 -20.337 3.588 35 1HD1 LEU 4 1HD1 LEU 4 -21.204 -17.766 3.368 36 2HD1 LEU 4 2HD1 LEU 4 -22.080 -18.335 4.790 37 3HD1 LEU 4 3HD1 LEU 4 -22.964 -17.859 3.339 38 1HD2 LEU 4 1HD2 LEU 4 -22.708 -18.957 1.336 39 2HD2 LEU 4 2HD2 LEU 4 -22.436 -20.699 1.313 40 3HD2 LEU 4 3HD2 LEU 4 -21.065 -19.592 1.252 41 H VAL 5 H VAL 5 -19.119 -23.365 2.091 42 HA VAL 5 HA VAL 5 -17.168 -23.654 4.356 43 HB VAL 5 HB VAL 5 -18.040 -25.678 2.262 44 1HG1 VAL 5 1HG1 VAL 5 -15.797 -26.208 2.776 45 2HG1 VAL 5 2HG1 VAL 5 -16.725 -27.218 3.885 46 3HG1 VAL 5 3HG1 VAL 5 -15.978 -25.730 4.464 47 1HG2 VAL 5 1HG2 VAL 5 -19.770 -25.327 3.950 48 2HG2 VAL 5 2HG2 VAL 5 -18.579 -25.470 5.243 49 3HG2 VAL 5 3HG2 VAL 5 -18.979 -26.873 4.254 50 H ARG 6 H ARG 6 -15.099 -22.948 3.793 51 HA ARG 6 HA ARG 6 -14.333 -23.007 0.899 52 1HB ARG 6 1HB ARG 6 -14.351 -20.727 2.878 53 2HB ARG 6 2HB ARG 6 -13.263 -20.707 1.489 54 1HG ARG 6 1HG ARG 6 -14.973 -20.454 -0.024 55 2HG ARG 6 2HG ARG 6 -16.110 -21.388 0.949 56 1HD ARG 6 1HD ARG 6 -15.705 -19.236 2.586 57 2HD ARG 6 2HD ARG 6 -15.563 -18.480 0.986 58 HE ARG 6 HE ARG 6 -17.928 -20.062 1.907 59 1HH1 ARG 6 1HH2 ARG 6 -17.646 -20.144 -1.032 60 2HH1 ARG 6 2HH2 ARG 6 -18.511 -18.734 -1.543 61 1HH2 ARG 6 1HH1 ARG 6 -18.493 -17.259 1.594 62 2HH2 ARG 6 2HH1 ARG 6 -18.991 -17.101 -0.056 63 HA PRO 7 HA PRO 7 -10.597 -24.661 2.573 64 1HB PRO 7 1HB PRO 7 -8.804 -23.996 0.616 65 2HB PRO 7 2HB PRO 7 -10.010 -25.284 0.425 66 1HG PRO 7 1HG PRO 7 -10.039 -22.497 -0.609 67 2HG PRO 7 2HG PRO 7 -10.600 -23.991 -1.374 68 1HD PRO 7 1HD PRO 7 -12.262 -22.161 -0.205 69 2HD PRO 7 2HD PRO 7 -12.646 -23.889 -0.365 70 HA PRO 8 HA PRO 8 -8.829 -21.048 4.522 71 1HB PRO 8 1HB PRO 8 -6.908 -22.285 6.022 72 2HB PRO 8 2HB PRO 8 -8.630 -22.309 6.452 73 1HG PRO 8 1HG PRO 8 -6.970 -24.413 5.173 74 2HG PRO 8 2HG PRO 8 -8.286 -24.569 6.344 75 1HD PRO 8 1HD PRO 8 -8.553 -25.037 3.655 76 2HD PRO 8 2HD PRO 8 -9.892 -24.579 4.729 77 H VAL 9 H VAL 9 -7.414 -19.670 3.420 78 HA VAL 9 HA VAL 9 -4.766 -20.756 2.579 79 HB VAL 9 HB VAL 9 -6.353 -20.991 0.700 80 1HG1 VAL 9 1HG1 VAL 9 -7.350 -18.948 -0.304 81 2HG1 VAL 9 2HG1 VAL 9 -6.719 -17.998 1.042 82 3HG1 VAL 9 3HG1 VAL 9 -7.942 -19.236 1.331 83 1HG2 VAL 9 1HG2 VAL 9 -5.128 -19.203 -0.845 84 2HG2 VAL 9 2HG2 VAL 9 -4.254 -20.590 -0.194 85 3HG2 VAL 9 3HG2 VAL 9 -4.107 -19.013 0.580 86 H GLN 10 H GLN 10 -3.097 -19.157 2.668 87 HA GLN 10 HA GLN 10 -3.969 -16.444 3.614 88 1HB GLN 10 1HB GLN 10 -1.486 -18.095 4.194 89 2HB GLN 10 2HB GLN 10 -1.795 -16.481 4.834 90 1HG GLN 10 1HG GLN 10 -2.625 -17.733 6.585 91 2HG GLN 10 2HG GLN 10 -4.083 -17.624 5.598 92 1HE2 GLN 10 1HE2 GLN 10 -1.138 -19.758 5.812 93 2HE2 GLN 10 2HE2 GLN 10 -2.006 -21.192 5.538 94 H ILE 11 H ILE 11 -2.711 -14.611 2.788 95 HA ILE 11 HA ILE 11 -1.526 -13.401 1.177 96 HB ILE 11 HB ILE 11 -0.054 -16.041 0.988 97 1HG1 ILE 11 1HG1 ILE 11 1.535 -14.273 2.347 98 2HG1 ILE 11 2HG1 ILE 11 -0.067 -13.770 2.883 99 1HG2 ILE 11 1HG2 ILE 11 0.310 -13.405 -0.320 100 2HG2 ILE 11 2HG2 ILE 11 0.824 -15.005 -0.853 101 3HG2 ILE 11 3HG2 ILE 11 1.767 -14.134 0.358 102 1HD1 ILE 11 1HD1 ILE 11 -0.003 -16.628 2.920 103 2HD1 ILE 11 2HD1 ILE 11 -0.137 -15.522 4.288 104 3HD1 ILE 11 3HD1 ILE 11 1.451 -16.044 3.730 105 H TYR 12 H TYR 12 -1.540 -16.671 -0.415 106 HA TYR 12 HA TYR 12 -2.093 -17.199 -2.663 107 1HB TYR 12 1HB TYR 12 -4.618 -16.545 -3.025 108 2HB TYR 12 2HB TYR 12 -4.197 -17.682 -1.750 109 HD1 TYR 12 HD1 TYR 12 -5.386 -14.272 -2.497 110 HD2 TYR 12 HD2 TYR 12 -4.207 -17.017 0.583 111 HE1 TYR 12 HE1 TYR 12 -6.318 -12.749 -0.778 112 HE2 TYR 12 HE2 TYR 12 -5.118 -15.496 2.297 113 HH TYR 12 HH TYR 12 -5.579 -12.820 2.341 114 H GLY 13 H GLY 13 -0.481 -15.529 -3.571 115 1HA GLY 13 1HA GLY 13 -0.867 -14.284 -5.780 116 2HA GLY 13 2HA GLY 13 -1.938 -13.250 -4.832 117 H ILE 14 H ILE 14 1.170 -13.453 -6.033 118 HA ILE 14 HA ILE 14 2.944 -12.577 -4.036 119 HB ILE 14 HB ILE 14 3.264 -13.013 -6.572 120 1HG1 ILE 14 1HG1 ILE 14 5.098 -12.419 -5.032 121 2HG1 ILE 14 2HG1 ILE 14 5.337 -11.706 -6.624 122 1HG2 ILE 14 1HG2 ILE 14 2.690 -10.039 -6.661 123 2HG2 ILE 14 2HG2 ILE 14 1.743 -11.310 -7.436 124 3HG2 ILE 14 3HG2 ILE 14 3.388 -10.979 -7.981 125 1HD1 ILE 14 1HD1 ILE 14 4.740 -10.386 -4.024 126 2HD1 ILE 14 2HD1 ILE 14 3.994 -9.683 -5.456 127 3HD1 ILE 14 3HD1 ILE 14 5.749 -9.833 -5.359 128 H GLU 15 H GLU 15 0.369 -10.648 -5.591 129 HA GLU 15 HA GLU 15 1.097 -8.028 -4.778 130 1HB GLU 15 1HB GLU 15 -1.331 -9.444 -5.595 131 2HB GLU 15 2HB GLU 15 -1.691 -8.220 -4.386 132 1HG GLU 15 1HG GLU 15 -1.218 -6.505 -5.795 133 2HG GLU 15 2HG GLU 15 0.193 -7.322 -6.467 134 H GLY 16 H GLY 16 -0.365 -10.653 -2.814 135 1HA GLY 16 1HA GLY 16 -0.993 -9.058 -0.520 136 2HA GLY 16 2HA GLY 16 -0.652 -10.791 -0.481 137 H ARG 17 H ARG 17 2.063 -10.627 -1.548 138 HA ARG 17 HA ARG 17 3.572 -10.214 0.843 139 1HB ARG 17 1HB ARG 17 4.330 -10.217 -2.092 140 2HB ARG 17 2HB ARG 17 5.532 -10.129 -0.804 141 1HG ARG 17 1HG ARG 17 4.294 -12.220 0.157 142 2HG ARG 17 2HG ARG 17 3.650 -12.380 -1.478 143 1HD ARG 17 1HD ARG 17 5.741 -12.835 -2.403 144 2HD ARG 17 2HD ARG 17 6.609 -11.977 -1.114 145 HE ARG 17 HE ARG 17 5.896 -13.860 0.416 146 1HH1 ARG 17 1HH2 ARG 17 4.243 -14.793 -2.174 147 2HH1 ARG 17 2HH2 ARG 17 5.088 -16.271 -2.490 148 1HH2 ARG 17 1HH1 ARG 17 7.709 -15.543 -0.339 149 2HH2 ARG 17 2HH1 ARG 17 7.051 -16.696 -1.450 150 H TYR 18 H TYR 18 2.549 -7.834 -1.608 151 HA TYR 18 HA TYR 18 4.438 -5.761 -1.126 152 1HB TYR 18 1HB TYR 18 1.539 -5.880 -1.893 153 2HB TYR 18 2HB TYR 18 2.201 -4.314 -1.454 154 HD1 TYR 18 HD1 TYR 18 2.437 -3.124 -3.441 155 HD2 TYR 18 HD2 TYR 18 3.796 -7.196 -3.260 156 HE1 TYR 18 HE1 TYR 18 3.402 -2.899 -5.709 157 HE2 TYR 18 HE2 TYR 18 4.768 -6.972 -5.531 158 HH TYR 18 HH TYR 18 5.421 -4.178 -6.985 159 H ALA 19 H ALA 19 1.549 -6.702 0.790 160 HA ALA 19 HA ALA 19 1.863 -4.493 2.693 161 1HB ALA 19 1HB ALA 19 -0.307 -5.327 2.722 162 2HB ALA 19 2HB ALA 19 0.373 -6.256 4.058 163 3HB ALA 19 3HB ALA 19 0.219 -6.991 2.461 164 H THR 20 H THR 20 2.892 -7.940 2.622 165 HA THR 20 HA THR 20 4.029 -7.774 5.303 166 HB THR 20 HB THR 20 5.215 -9.934 3.941 167 HG1 THR 20 HG1 THR 20 3.438 -10.826 2.863 168 1HG2 THR 20 1HG2 THR 20 2.694 -9.730 5.611 169 2HG2 THR 20 2HG2 THR 20 4.329 -9.992 6.217 170 3HG2 THR 20 3HG2 THR 20 3.535 -11.238 5.256 171 H ALA 21 H ALA 21 5.312 -7.275 2.018 172 HA ALA 21 HA ALA 21 8.085 -7.147 2.970 173 1HB ALA 21 1HB ALA 21 8.154 -5.856 0.595 174 2HB ALA 21 2HB ALA 21 6.600 -6.665 0.419 175 3HB ALA 21 3HB ALA 21 8.060 -7.613 0.701 176 H LEU 22 H LEU 22 5.381 -4.914 3.014 177 HA LEU 22 HA LEU 22 7.249 -2.594 3.355 178 1HB LEU 22 1HB LEU 22 5.275 -2.375 1.844 179 2HB LEU 22 2HB LEU 22 4.215 -2.753 3.202 180 HG LEU 22 HG LEU 22 5.694 -0.736 4.283 181 1HD1 LEU 22 1HD1 LEU 22 5.486 1.004 2.278 182 2HD1 LEU 22 2HD1 LEU 22 5.741 -0.448 1.309 183 3HD1 LEU 22 3HD1 LEU 22 6.944 0.038 2.506 184 1HD2 LEU 22 1HD2 LEU 22 3.445 -0.404 4.542 185 2HD2 LEU 22 2HD2 LEU 22 3.071 -0.932 2.902 186 3HD2 LEU 22 3HD2 LEU 22 3.673 0.701 3.187 187 H TYR 23 H TYR 23 4.575 -4.323 5.034 188 HA TYR 23 HA TYR 23 5.076 -2.837 7.487 189 1HB TYR 23 1HB TYR 23 3.020 -3.620 7.974 190 2HB TYR 23 2HB TYR 23 2.995 -4.416 6.413 191 HD1 TYR 23 HD1 TYR 23 2.770 -6.730 6.311 192 HD2 TYR 23 HD2 TYR 23 4.184 -4.907 9.915 193 HE1 TYR 23 HE1 TYR 23 2.767 -8.924 7.411 194 HE2 TYR 23 HE2 TYR 23 4.144 -7.093 11.058 195 HH TYR 23 HH TYR 23 4.336 -9.744 9.929 196 H SER 24 H SER 24 6.651 -5.591 5.968 197 HA SER 24 HA SER 24 7.489 -7.143 8.198 198 1HB SER 24 1HB SER 24 8.299 -7.973 6.184 199 2HB SER 24 2HB SER 24 8.656 -6.370 5.551 200 HG SER 24 HG SER 24 10.531 -7.637 6.126 201 H ALA 25 H ALA 25 8.745 -4.001 7.015 202 HA ALA 25 HA ALA 25 10.747 -3.777 9.160 203 1HB ALA 25 1HB ALA 25 9.492 -1.737 7.273 204 2HB ALA 25 2HB ALA 25 11.013 -2.590 7.006 205 3HB ALA 25 3HB ALA 25 10.879 -1.415 8.315 206 H ALA 26 H ALA 26 7.419 -2.570 8.492 207 HA ALA 26 HA ALA 26 7.045 -0.945 10.812 208 1HB ALA 26 1HB ALA 26 4.652 -1.366 10.433 209 2HB ALA 26 2HB ALA 26 5.032 -2.801 9.483 210 3HB ALA 26 3HB ALA 26 5.465 -1.204 8.877 211 H SER 27 H SER 27 6.719 -4.513 10.450 212 HA SER 27 HA SER 27 5.587 -5.127 13.008 213 1HB SER 27 1HB SER 27 6.284 -7.333 12.544 214 2HB SER 27 2HB SER 27 6.227 -6.619 10.936 215 HG SER 27 HG SER 27 8.199 -7.794 11.494 216 H LYS 28 H LYS 28 9.030 -4.637 12.073 217 HA LYS 28 HA LYS 28 10.108 -5.169 14.722 218 1HB LYS 28 1HB LYS 28 11.054 -3.847 12.190 219 2HB LYS 28 2HB LYS 28 12.004 -3.628 13.660 220 1HG LYS 28 1HG LYS 28 12.313 -5.996 13.915 221 2HG LYS 28 2HG LYS 28 11.132 -6.347 12.653 222 1HD LYS 28 1HD LYS 28 12.577 -5.755 10.941 223 2HD LYS 28 2HD LYS 28 13.487 -4.635 11.956 224 1HE LYS 28 1HE LYS 28 13.563 -7.548 12.667 225 2HE LYS 28 2HE LYS 28 14.538 -6.986 11.293 226 1HZ LYS 28 1HZ LYS 28 14.511 -5.730 13.987 227 2HZ LYS 28 2HZ LYS 28 15.481 -5.268 12.670 228 3HZ LYS 28 3HZ LYS 28 15.725 -6.771 13.422 229 H GLN 29 H GLN 29 9.017 -2.177 13.053 230 HA GLN 29 HA GLN 29 9.670 -0.510 15.402 231 1HB GLN 29 1HB GLN 29 8.420 -0.073 12.694 232 2HB GLN 29 2HB GLN 29 8.376 1.199 13.915 233 1HG GLN 29 1HG GLN 29 10.676 1.498 13.891 234 2HG GLN 29 2HG GLN 29 10.988 -0.156 13.364 235 1HE2 GLN 29 1HE2 GLN 29 11.361 -0.457 11.117 236 2HE2 GLN 29 2HE2 GLN 29 11.034 0.722 9.940 237 H ASN 30 H ASN 30 7.081 -2.647 14.777 238 HA ASN 30 HA ASN 30 5.041 -2.954 15.879 239 1HB ASN 30 1HB ASN 30 6.654 -1.780 17.714 240 2HB ASN 30 2HB ASN 30 5.417 -0.532 17.573 241 1HD2 ASN 30 1HD2 ASN 30 6.061 -3.780 18.785 242 2HD2 ASN 30 2HD2 ASN 30 4.520 -4.030 19.451 243 H LYS 31 H LYS 31 5.126 -1.453 13.440 244 HA LYS 31 HA LYS 31 3.128 0.720 13.945 245 1HB LYS 31 1HB LYS 31 5.067 0.100 11.708 246 2HB LYS 31 2HB LYS 31 3.827 1.346 11.565 247 1HG LYS 31 1HG LYS 31 4.890 2.003 13.980 248 2HG LYS 31 2HG LYS 31 6.311 1.328 13.184 249 1HD LYS 31 1HD LYS 31 6.288 2.935 11.485 250 2HD LYS 31 2HD LYS 31 4.579 3.301 11.720 251 1HE LYS 31 1HE LYS 31 5.040 4.891 13.278 252 2HE LYS 31 2HE LYS 31 6.189 3.835 14.124 253 1HZ LYS 31 1HZ LYS 31 6.784 5.089 11.501 254 2HZ LYS 31 2HZ LYS 31 7.868 4.315 12.556 255 3HZ LYS 31 3HZ LYS 31 7.198 5.818 12.976 256 H LEU 32 H LEU 32 2.737 -2.446 13.543 257 HA LEU 32 HA LEU 32 1.390 -3.038 11.134 258 1HB LEU 32 1HB LEU 32 1.129 -3.873 14.017 259 2HB LEU 32 2HB LEU 32 -0.072 -4.450 12.868 260 HG LEU 32 HG LEU 32 2.017 -5.932 13.285 261 1HD1 LEU 32 1HD1 LEU 32 0.277 -5.863 11.313 262 2HD1 LEU 32 2HD1 LEU 32 1.711 -6.875 11.197 263 3HD1 LEU 32 3HD1 LEU 32 1.666 -5.312 10.378 264 1HD2 LEU 32 1HD2 LEU 32 3.960 -5.393 11.840 265 2HD2 LEU 32 2HD2 LEU 32 3.744 -4.207 13.104 266 3HD2 LEU 32 3HD2 LEU 32 3.239 -3.838 11.454 267 H GLU 33 H GLU 33 0.157 -1.240 13.987 268 HA GLU 33 HA GLU 33 -2.558 -0.971 12.895 269 1HB GLU 33 1HB GLU 33 -1.791 -0.789 15.352 270 2HB GLU 33 2HB GLU 33 -1.204 0.822 14.938 271 1HG GLU 33 1HG GLU 33 -4.000 0.119 14.153 272 2HG GLU 33 2HG GLU 33 -3.682 0.444 15.857 273 H GLN 34 H GLN 34 0.398 1.074 12.964 274 HA GLN 34 HA GLN 34 -0.735 3.377 11.646 275 1HB GLN 34 1HB GLN 34 2.082 2.268 11.712 276 2HB GLN 34 2HB GLN 34 1.670 3.868 11.104 277 1HG GLN 34 1HG GLN 34 1.155 2.860 13.922 278 2HG GLN 34 2HG GLN 34 2.426 3.985 13.451 279 1HE2 GLN 34 1HE2 GLN 34 1.172 5.843 11.821 280 2HE2 GLN 34 2HE2 GLN 34 -0.126 6.571 12.633 281 H VAL 35 H VAL 35 0.470 0.284 10.342 282 HA VAL 35 HA VAL 35 0.174 1.397 7.586 283 HB VAL 35 HB VAL 35 1.166 -1.380 8.205 284 1HG1 VAL 35 1HG1 VAL 35 0.902 -0.609 5.876 285 2HG1 VAL 35 2HG1 VAL 35 2.593 -0.928 6.263 286 3HG1 VAL 35 3HG1 VAL 35 2.000 0.732 6.201 287 1HG2 VAL 35 1HG2 VAL 35 2.723 -0.510 9.651 288 2HG2 VAL 35 2HG2 VAL 35 2.472 1.140 9.079 289 3HG2 VAL 35 3HG2 VAL 35 3.511 0.040 8.175 290 H GLU 36 H GLU 36 -1.134 -1.209 9.689 291 HA GLU 36 HA GLU 36 -2.755 -2.415 7.597 292 1HB GLU 36 1HB GLU 36 -2.011 -3.396 9.855 293 2HB GLU 36 2HB GLU 36 -3.337 -2.476 10.565 294 1HG GLU 36 1HG GLU 36 -4.807 -3.589 8.740 295 2HG GLU 36 2HG GLU 36 -3.474 -4.732 8.572 296 H LYS 37 H LYS 37 -3.277 0.447 9.628 297 HA LYS 37 HA LYS 37 -6.193 0.403 9.024 298 1HB LYS 37 1HB LYS 37 -4.989 1.043 11.272 299 2HB LYS 37 2HB LYS 37 -4.731 2.598 10.480 300 1HG LYS 37 1HG LYS 37 -7.345 2.255 9.914 301 2HG LYS 37 2HG LYS 37 -7.261 1.351 11.427 302 1HD LYS 37 1HD LYS 37 -6.503 3.239 12.645 303 2HD LYS 37 2HD LYS 37 -6.087 4.121 11.174 304 1HE LYS 37 1HE LYS 37 -8.716 3.744 10.698 305 2HE LYS 37 2HE LYS 37 -8.745 3.768 12.473 306 1HZ LYS 37 1HZ LYS 37 -8.869 6.015 11.711 307 2HZ LYS 37 2HZ LYS 37 -7.540 5.802 10.674 308 3HZ LYS 37 3HZ LYS 37 -7.320 5.778 12.359 309 H GLU 38 H GLU 38 -3.275 2.378 8.260 310 HA GLU 38 HA GLU 38 -4.797 4.334 6.718 311 1HB GLU 38 1HB GLU 38 -1.862 3.552 6.681 312 2HB GLU 38 2HB GLU 38 -2.543 5.011 5.984 313 1HG GLU 38 1HG GLU 38 -3.346 4.613 8.775 314 2HG GLU 38 2HG GLU 38 -1.606 4.783 8.574 315 H LEU 39 H LEU 39 -3.132 1.253 5.932 316 HA LEU 39 HA LEU 39 -3.228 1.417 3.076 317 1HB LEU 39 1HB LEU 39 -3.238 -0.770 5.132 318 2HB LEU 39 2HB LEU 39 -3.611 -1.209 3.466 319 HG LEU 39 HG LEU 39 -1.174 0.414 4.227 320 1HD1 LEU 39 1HD1 LEU 39 -0.737 -1.635 5.294 321 2HD1 LEU 39 2HD1 LEU 39 -0.032 -1.875 3.695 322 3HD1 LEU 39 3HD1 LEU 39 -1.611 -2.564 4.076 323 1HD2 LEU 39 1HD2 LEU 39 -1.359 -1.316 1.806 324 2HD2 LEU 39 2HD2 LEU 39 -0.587 0.258 2.007 325 3HD2 LEU 39 3HD2 LEU 39 -2.337 0.152 1.810 326 H LEU 40 H LEU 40 -5.773 0.474 5.444 327 HA LEU 40 HA LEU 40 -7.730 -0.473 3.579 328 1HB LEU 40 1HB LEU 40 -7.831 -0.592 6.094 329 2HB LEU 40 2HB LEU 40 -8.207 1.131 6.117 330 HG LEU 40 HG LEU 40 -9.875 -0.550 4.321 331 1HD1 LEU 40 1HD1 LEU 40 -11.281 -1.359 6.142 332 2HD1 LEU 40 2HD1 LEU 40 -10.234 -0.587 7.333 333 3HD1 LEU 40 3HD1 LEU 40 -9.636 -1.946 6.380 334 1HD2 LEU 40 1HD2 LEU 40 -10.963 1.331 6.360 335 2HD2 LEU 40 2HD2 LEU 40 -11.407 1.133 4.665 336 3HD2 LEU 40 3HD2 LEU 40 -9.951 2.032 5.096 337 H ARG 41 H ARG 41 -6.916 2.882 4.565 338 HA ARG 41 HA ARG 41 -9.126 4.234 3.361 339 1HB ARG 41 1HB ARG 41 -7.282 5.188 4.840 340 2HB ARG 41 2HB ARG 41 -6.249 5.204 3.410 341 1HG ARG 41 1HG ARG 41 -7.462 6.886 2.379 342 2HG ARG 41 2HG ARG 41 -8.958 6.460 3.210 343 1HD ARG 41 1HD ARG 41 -6.682 7.441 4.890 344 2HD ARG 41 2HD ARG 41 -7.582 8.630 3.927 345 HE ARG 41 HE ARG 41 -8.952 6.718 5.784 346 1HH1 ARG 41 1HH1 ARG 41 -10.110 8.774 3.650 347 2HH1 ARG 41 2HH1 ARG 41 -10.741 9.961 4.742 348 1HH2 ARG 41 1HH2 ARG 41 -9.070 8.694 7.504 349 2HH2 ARG 41 2HH2 ARG 41 -10.151 9.916 6.924 350 H VAL 42 H VAL 42 -6.048 3.099 1.888 351 HA VAL 42 HA VAL 42 -6.398 4.316 -0.690 352 HB VAL 42 HB VAL 42 -5.097 1.672 0.084 353 1HG1 VAL 42 1HG1 VAL 42 -4.569 3.420 -2.339 354 2HG1 VAL 42 2HG1 VAL 42 -5.568 1.967 -2.381 355 3HG1 VAL 42 3HG1 VAL 42 -3.853 1.848 -1.987 356 1HG2 VAL 42 1HG2 VAL 42 -3.871 3.219 1.283 357 2HG2 VAL 42 2HG2 VAL 42 -4.274 4.543 0.190 358 3HG2 VAL 42 3HG2 VAL 42 -3.050 3.361 -0.271 359 H GLY 43 H GLY 43 -7.650 1.206 0.607 360 1HA GLY 43 1HA GLY 43 -8.801 0.309 -1.871 361 2HA GLY 43 2HA GLY 43 -9.267 -0.253 -0.263 362 H GLN 44 H GLN 44 -10.168 2.121 0.928 363 HA GLN 44 HA GLN 44 -12.842 2.366 -0.093 364 1HB GLN 44 1HB GLN 44 -11.867 2.969 2.227 365 2HB GLN 44 2HB GLN 44 -11.402 4.505 1.496 366 1HG GLN 44 1HG GLN 44 -13.581 5.219 1.270 367 2HG GLN 44 2HG GLN 44 -14.210 3.581 1.085 368 1HE2 GLN 44 1HE2 GLN 44 -14.500 6.071 3.188 369 2HE2 GLN 44 2HE2 GLN 44 -14.602 5.222 4.654 370 H ILE 45 H ILE 45 -9.912 4.358 -0.689 371 HA ILE 45 HA ILE 45 -11.162 6.501 -2.125 372 HB ILE 45 HB ILE 45 -8.425 5.186 -2.399 373 1HG1 ILE 45 1HG1 ILE 45 -8.983 7.850 -1.129 374 2HG1 ILE 45 2HG1 ILE 45 -9.327 6.380 -0.222 375 1HG2 ILE 45 1HG2 ILE 45 -9.487 6.899 -4.279 376 2HG2 ILE 45 2HG2 ILE 45 -7.769 6.752 -3.927 377 3HG2 ILE 45 3HG2 ILE 45 -8.716 8.030 -3.171 378 1HD1 ILE 45 1HD1 ILE 45 -6.713 6.290 -1.542 379 2HD1 ILE 45 2HD1 ILE 45 -7.132 5.975 0.141 380 3HD1 ILE 45 3HD1 ILE 45 -6.853 7.628 -0.401 381 H LEU 46 H LEU 46 -10.069 3.270 -3.269 382 HA LEU 46 HA LEU 46 -10.789 3.862 -6.048 383 1HB LEU 46 1HB LEU 46 -9.057 2.191 -5.378 384 2HB LEU 46 2HB LEU 46 -10.327 1.193 -4.669 385 HG LEU 46 HG LEU 46 -11.432 1.031 -6.875 386 1HD1 LEU 46 1HD1 LEU 46 -10.121 1.829 -8.880 387 2HD1 LEU 46 2HD1 LEU 46 -9.054 2.686 -7.769 388 3HD1 LEU 46 3HD1 LEU 46 -10.757 3.134 -7.874 389 1HD2 LEU 46 1HD2 LEU 46 -9.793 -0.439 -7.924 390 2HD2 LEU 46 2HD2 LEU 46 -9.694 -0.628 -6.173 391 3HD2 LEU 46 3HD2 LEU 46 -8.484 0.330 -7.027 392 H LYS 47 H LYS 47 -12.445 2.331 -3.269 393 HA LYS 47 HA LYS 47 -14.701 1.356 -4.844 394 1HB LYS 47 1HB LYS 47 -13.911 0.629 -2.486 395 2HB LYS 47 2HB LYS 47 -14.722 2.081 -1.900 396 1HG LYS 47 1HG LYS 47 -16.278 0.339 -3.745 397 2HG LYS 47 2HG LYS 47 -15.988 -0.287 -2.122 398 1HD LYS 47 1HD LYS 47 -16.723 2.170 -1.419 399 2HD LYS 47 2HD LYS 47 -17.552 2.115 -2.976 400 1HE LYS 47 1HE LYS 47 -18.469 -0.183 -2.188 401 2HE LYS 47 2HE LYS 47 -17.971 0.342 -0.567 402 1HZ LYS 47 1HZ LYS 47 -20.188 1.113 -0.930 403 2HZ LYS 47 2HZ LYS 47 -19.776 1.779 -2.438 404 3HZ LYS 47 3HZ LYS 47 -19.160 2.461 -1.009 405 H GLU 48 H GLU 48 -13.858 4.427 -3.224 406 HA GLU 48 HA GLU 48 -16.373 5.675 -3.092 407 1HB GLU 48 1HB GLU 48 -13.553 6.567 -3.549 408 2HB GLU 48 2HB GLU 48 -14.835 7.762 -3.762 409 1HG GLU 48 1HG GLU 48 -15.703 6.915 -1.461 410 2HG GLU 48 2HG GLU 48 -14.088 6.230 -1.277 411 HA PRO 49 HA PRO 49 -17.464 5.770 -7.433 412 1HB PRO 49 1HB PRO 49 -19.607 7.473 -7.271 413 2HB PRO 49 2HB PRO 49 -19.691 5.762 -6.803 414 1HG PRO 49 1HG PRO 49 -19.378 8.178 -5.089 415 2HG PRO 49 2HG PRO 49 -20.355 6.726 -4.822 416 1HD PRO 49 1HD PRO 49 -17.969 7.135 -3.604 417 2HD PRO 49 2HD PRO 49 -18.576 5.515 -4.015 418 H LYS 50 H LYS 50 -16.925 8.736 -5.511 419 HA LYS 50 HA LYS 50 -16.626 10.418 -7.919 420 1HB LYS 50 1HB LYS 50 -16.354 10.747 -4.940 421 2HB LYS 50 2HB LYS 50 -15.611 11.950 -5.995 422 1HG LYS 50 1HG LYS 50 -17.720 12.875 -5.774 423 2HG LYS 50 2HG LYS 50 -17.986 11.857 -7.190 424 1HD LYS 50 1HD LYS 50 -19.133 10.225 -5.967 425 2HD LYS 50 2HD LYS 50 -18.416 10.730 -4.436 426 1HE LYS 50 1HE LYS 50 -19.724 12.834 -4.513 427 2HE LYS 50 2HE LYS 50 -20.465 12.306 -6.038 428 1HZ LYS 50 1HZ LYS 50 -20.599 10.916 -3.415 429 2HZ LYS 50 2HZ LYS 50 -21.146 10.245 -4.877 430 3HZ LYS 50 3HZ LYS 50 -21.888 11.639 -4.249 431 H MET 51 H MET 51 -14.552 8.451 -5.800 432 HA MET 51 HA MET 51 -12.156 9.445 -7.285 433 1HB MET 51 1HB MET 51 -12.441 9.629 -4.728 434 2HB MET 51 2HB MET 51 -12.255 7.877 -4.703 435 1HG MET 51 1HG MET 51 -10.104 8.921 -4.297 436 2HG MET 51 2HG MET 51 -10.076 8.118 -5.862 437 1HE MET 51 1HE MET 51 -9.055 10.409 -8.269 438 2HE MET 51 2HE MET 51 -9.318 8.797 -7.606 439 3HE MET 51 3HE MET 51 -7.969 9.772 -7.027 440 H ALA 52 H ALA 52 -14.206 7.159 -8.065 441 HA ALA 52 HA ALA 52 -12.329 4.835 -8.002 442 1HB ALA 52 1HB ALA 52 -14.472 3.797 -9.134 443 2HB ALA 52 2HB ALA 52 -15.260 5.273 -8.576 444 3HB ALA 52 3HB ALA 52 -14.517 4.176 -7.412 445 H ALA 53 H ALA 53 -14.242 6.766 -10.374 446 HA ALA 53 HA ALA 53 -13.048 5.549 -12.716 447 1HB ALA 53 1HB ALA 53 -13.907 7.680 -13.822 448 2HB ALA 53 2HB ALA 53 -14.387 8.227 -12.215 449 3HB ALA 53 3HB ALA 53 -15.116 6.779 -12.907 450 H SER 54 H SER 54 -11.964 8.192 -10.570 451 HA SER 54 HA SER 54 -9.879 9.092 -12.452 452 1HB SER 54 1HB SER 54 -10.426 9.669 -9.517 453 2HB SER 54 2HB SER 54 -9.210 10.502 -10.483 454 HG SER 54 HG SER 54 -11.250 11.601 -10.390 455 H LEU 55 H LEU 55 -9.979 7.108 -9.442 456 HA LEU 55 HA LEU 55 -7.138 6.780 -9.172 457 1HB LEU 55 1HB LEU 55 -9.245 6.034 -7.703 458 2HB LEU 55 2HB LEU 55 -8.977 4.505 -8.539 459 HG LEU 55 HG LEU 55 -6.568 4.613 -7.841 460 1HD1 LEU 55 1HD1 LEU 55 -6.337 6.231 -5.753 461 2HD1 LEU 55 2HD1 LEU 55 -7.601 7.133 -6.590 462 3HD1 LEU 55 3HD1 LEU 55 -6.057 6.831 -7.388 463 1HD2 LEU 55 1HD2 LEU 55 -8.876 4.400 -5.964 464 2HD2 LEU 55 2HD2 LEU 55 -7.265 4.450 -5.248 465 3HD2 LEU 55 3HD2 LEU 55 -7.676 3.188 -6.410 466 H LEU 56 H LEU 56 -9.501 5.011 -11.215 467 HA LEU 56 HA LEU 56 -7.199 3.479 -12.381 468 1HB LEU 56 1HB LEU 56 -8.997 2.201 -11.208 469 2HB LEU 56 2HB LEU 56 -10.174 2.870 -12.334 470 HG LEU 56 HG LEU 56 -7.924 1.729 -13.782 471 1HD1 LEU 56 1HD1 LEU 56 -7.981 -0.523 -13.116 472 2HD1 LEU 56 2HD1 LEU 56 -9.495 -0.322 -12.234 473 3HD1 LEU 56 3HD1 LEU 56 -7.998 0.343 -11.579 474 1HD2 LEU 56 1HD2 LEU 56 -10.866 1.752 -13.815 475 2HD2 LEU 56 2HD2 LEU 56 -10.183 0.213 -14.337 476 3HD2 LEU 56 3HD2 LEU 56 -9.730 1.703 -15.162 477 H ASN 57 H ASN 57 -7.900 6.241 -13.246 478 HA ASN 57 HA ASN 57 -9.361 5.839 -15.788 479 1HB ASN 57 1HB ASN 57 -9.084 7.924 -13.961 480 2HB ASN 57 2HB ASN 57 -8.088 8.442 -15.320 481 1HD2 ASN 57 1HD2 ASN 57 -10.779 9.546 -14.480 482 2HD2 ASN 57 2HD2 ASN 57 -11.780 9.342 -15.835 483 HA PRO 58 HA PRO 58 -5.337 5.189 -17.716 484 1HB PRO 58 1HB PRO 58 -6.268 4.725 -20.245 485 2HB PRO 58 2HB PRO 58 -6.270 3.488 -18.972 486 1HG PRO 58 1HG PRO 58 -8.502 5.192 -19.956 487 2HG PRO 58 2HG PRO 58 -8.510 3.489 -19.472 488 1HD PRO 58 1HD PRO 58 -9.415 5.503 -17.879 489 2HD PRO 58 2HD PRO 58 -8.737 3.986 -17.250 490 H TYR 59 H TYR 59 -7.671 7.694 -18.252 491 HA TYR 59 HA TYR 59 -6.183 9.056 -20.391 492 1HB TYR 59 1HB TYR 59 -8.628 9.652 -18.702 493 2HB TYR 59 2HB TYR 59 -8.041 10.748 -19.963 494 HD1 TYR 59 HD1 TYR 59 -8.239 10.184 -22.314 495 HD2 TYR 59 HD2 TYR 59 -9.479 7.397 -19.284 496 HE1 TYR 59 HE1 TYR 59 -9.361 8.800 -24.040 497 HE2 TYR 59 HE2 TYR 59 -10.588 6.016 -21.006 498 HH TYR 59 HH TYR 59 -11.430 7.038 -23.922 499 H VAL 60 H VAL 60 -5.467 8.774 -17.113 500 HA VAL 60 HA VAL 60 -4.702 11.661 -16.866 501 HB VAL 60 HB VAL 60 -4.916 9.466 -14.772 502 1HG1 VAL 60 1HG1 VAL 60 -5.120 11.717 -13.368 503 2HG1 VAL 60 2HG1 VAL 60 -4.197 12.372 -14.719 504 3HG1 VAL 60 3HG1 VAL 60 -3.542 11.039 -13.768 505 1HG2 VAL 60 1HG2 VAL 60 -6.815 11.769 -15.321 506 2HG2 VAL 60 2HG2 VAL 60 -7.037 10.462 -14.157 507 3HG2 VAL 60 3HG2 VAL 60 -7.089 10.120 -15.886 508 H LYS 61 H LYS 61 -3.128 9.509 -18.418 509 HA LYS 61 HA LYS 61 -0.894 8.782 -18.617 510 1HB LYS 61 1HB LYS 61 -1.001 11.488 -17.422 511 2HB LYS 61 2HB LYS 61 0.554 10.670 -17.277 512 1HG LYS 61 1HG LYS 61 0.650 10.309 -19.679 513 2HG LYS 61 2HG LYS 61 -0.976 10.966 -19.877 514 1HD LYS 61 1HD LYS 61 -0.283 13.140 -19.597 515 2HD LYS 61 2HD LYS 61 1.018 12.694 -18.492 516 1HE LYS 61 1HE LYS 61 1.279 11.728 -21.304 517 2HE LYS 61 2HE LYS 61 1.524 13.464 -21.020 518 1HZ LYS 61 1HZ LYS 61 2.795 11.303 -19.424 519 2HZ LYS 61 2HZ LYS 61 3.080 12.972 -19.282 520 3HZ LYS 61 3HZ LYS 61 3.568 12.140 -20.680 521 H ARG 62 H ARG 62 1.300 8.648 -17.035 522 HA ARG 62 HA ARG 62 0.344 7.170 -14.604 523 1HB ARG 62 1HB ARG 62 1.552 5.867 -16.324 524 2HB ARG 62 2HB ARG 62 2.908 6.991 -16.230 525 1HG ARG 62 1HG ARG 62 3.677 6.105 -14.273 526 2HG ARG 62 2HG ARG 62 2.053 5.844 -13.638 527 1HD ARG 62 1HD ARG 62 2.654 3.636 -13.998 528 2HD ARG 62 2HD ARG 62 2.034 4.006 -15.619 529 HE ARG 62 HE ARG 62 4.281 4.143 -16.417 530 1HH1 ARG 62 1HH1 ARG 62 4.907 1.861 -14.674 531 2HH1 ARG 62 2HH1 ARG 62 6.229 2.443 -13.720 532 1HH2 ARG 62 1HH2 ARG 62 5.641 5.780 -14.458 533 2HH2 ARG 62 2HH2 ARG 62 6.645 4.661 -13.596 534 H SER 63 H SER 63 3.207 9.113 -15.685 535 HA SER 63 HA SER 63 4.184 9.704 -13.065 536 1HB SER 63 1HB SER 63 4.420 10.939 -15.786 537 2HB SER 63 2HB SER 63 4.996 11.877 -14.412 538 HG SER 63 HG SER 63 6.395 10.233 -13.900 539 H VAL 64 H VAL 64 1.455 11.155 -14.832 540 HA VAL 64 HA VAL 64 1.276 13.457 -12.998 541 HB VAL 64 HB VAL 64 -0.685 12.302 -15.027 542 1HG1 VAL 64 1HG1 VAL 64 -1.843 13.734 -13.442 543 2HG1 VAL 64 2HG1 VAL 64 -1.646 14.623 -14.952 544 3HG1 VAL 64 3HG1 VAL 64 -0.591 14.967 -13.581 545 1HG2 VAL 64 1HG2 VAL 64 1.451 14.445 -15.206 546 2HG2 VAL 64 2HG2 VAL 64 0.166 14.267 -16.401 547 3HG2 VAL 64 3HG2 VAL 64 1.331 12.965 -16.158 548 H LYS 65 H LYS 65 -0.280 10.242 -13.352 549 HA LYS 65 HA LYS 65 -2.208 10.686 -11.204 550 1HB LYS 65 1HB LYS 65 -2.472 8.992 -13.017 551 2HB LYS 65 2HB LYS 65 -1.096 8.104 -12.365 552 1HG LYS 65 1HG LYS 65 -2.313 7.226 -10.658 553 2HG LYS 65 2HG LYS 65 -3.166 8.741 -10.362 554 1HD LYS 65 1HD LYS 65 -3.757 6.947 -12.729 555 2HD LYS 65 2HD LYS 65 -4.625 6.839 -11.198 556 1HE LYS 65 1HE LYS 65 -4.383 9.460 -12.695 557 2HE LYS 65 2HE LYS 65 -5.710 8.323 -12.998 558 1HZ LYS 65 1HZ LYS 65 -6.430 9.752 -11.268 559 2HZ LYS 65 2HZ LYS 65 -4.967 9.592 -10.419 560 3HZ LYS 65 3HZ LYS 65 -6.037 8.277 -10.529 561 H VAL 66 H VAL 66 1.098 9.264 -11.366 562 HA VAL 66 HA VAL 66 1.106 8.294 -8.638 563 HB VAL 66 HB VAL 66 2.721 7.662 -10.490 564 1HG1 VAL 66 1HG1 VAL 66 3.197 9.866 -11.370 565 2HG1 VAL 66 2HG1 VAL 66 4.695 9.133 -10.808 566 3HG1 VAL 66 3HG1 VAL 66 3.899 10.372 -9.838 567 1HG2 VAL 66 1HG2 VAL 66 3.087 7.405 -7.924 568 2HG2 VAL 66 2HG2 VAL 66 4.255 8.713 -8.119 569 3HG2 VAL 66 3HG2 VAL 66 4.476 7.197 -8.992 570 H LYS 67 H LYS 67 1.928 11.485 -10.071 571 HA LYS 67 HA LYS 67 3.087 12.666 -7.717 572 1HB LYS 67 1HB LYS 67 2.773 13.498 -10.227 573 2HB LYS 67 2HB LYS 67 1.327 14.258 -9.562 574 1HG LYS 67 1HG LYS 67 3.062 15.885 -9.351 575 2HG LYS 67 2HG LYS 67 2.841 15.212 -7.735 576 1HD LYS 67 1HD LYS 67 4.767 13.793 -7.971 577 2HD LYS 67 2HD LYS 67 4.909 14.175 -9.687 578 1HE LYS 67 1HE LYS 67 5.702 16.354 -9.267 579 2HE LYS 67 2HE LYS 67 5.058 16.367 -7.612 580 1HZ LYS 67 1HZ LYS 67 6.585 14.558 -7.060 581 2HZ LYS 67 2HZ LYS 67 7.430 15.938 -7.579 582 3HZ LYS 67 3HZ LYS 67 7.236 14.615 -8.626 583 H SER 68 H SER 68 -0.343 12.355 -8.747 584 HA SER 68 HA SER 68 -1.534 13.995 -6.734 585 1HB SER 68 1HB SER 68 -2.906 13.175 -8.506 586 2HB SER 68 2HB SER 68 -2.437 11.505 -8.201 587 HG SER 68 HG SER 68 -4.566 12.295 -7.382 588 H LEU 69 H LEU 69 -0.418 10.587 -6.556 589 HA LEU 69 HA LEU 69 -1.563 9.938 -4.005 590 1HB LEU 69 1HB LEU 69 0.744 8.989 -5.663 591 2HB LEU 69 2HB LEU 69 0.686 8.469 -3.979 592 HG LEU 69 HG LEU 69 -1.760 7.818 -4.443 593 1HD1 LEU 69 1HD1 LEU 69 -1.989 7.182 -6.953 594 2HD1 LEU 69 2HD1 LEU 69 -0.712 8.369 -7.216 595 3HD1 LEU 69 3HD1 LEU 69 -2.244 8.867 -6.499 596 1HD2 LEU 69 1HD2 LEU 69 0.229 6.238 -6.071 597 2HD2 LEU 69 2HD2 LEU 69 -1.094 5.640 -5.069 598 3HD2 LEU 69 3HD2 LEU 69 0.352 6.310 -4.314 599 H SER 70 H SER 70 1.641 11.391 -4.802 600 HA SER 70 HA SER 70 2.431 11.655 -2.003 601 1HB SER 70 1HB SER 70 4.367 12.600 -2.893 602 2HB SER 70 2HB SER 70 3.776 11.757 -4.321 603 HG SER 70 HG SER 70 4.097 13.795 -5.006 604 H ASP 71 H ASP 71 0.960 13.900 -4.397 605 HA ASP 71 HA ASP 71 0.831 16.136 -2.527 606 1HB ASP 71 1HB ASP 71 0.746 16.212 -5.081 607 2HB ASP 71 2HB ASP 71 -0.922 15.653 -4.957 608 H MET 72 H MET 72 -1.129 13.244 -2.892 609 HA MET 72 HA MET 72 -3.460 14.484 -1.520 610 1HB MET 72 1HB MET 72 -3.632 12.747 -3.389 611 2HB MET 72 2HB MET 72 -2.949 11.576 -2.261 612 1HG MET 72 1HG MET 72 -4.818 12.110 -0.671 613 2HG MET 72 2HG MET 72 -5.535 13.121 -1.926 614 1HE MET 72 1HE MET 72 -4.735 8.617 -2.114 615 2HE MET 72 2HE MET 72 -5.141 9.413 -0.595 616 3HE MET 72 3HE MET 72 -3.692 9.894 -1.473 617 H THR 73 H THR 73 -0.969 11.948 -1.003 618 HA THR 73 HA THR 73 -1.599 11.290 1.708 619 HB THR 73 HB THR 73 0.843 11.237 -0.064 620 HG1 THR 73 HG1 THR 73 -0.603 9.591 -0.291 621 1HG2 THR 73 1HG2 THR 73 0.837 10.893 2.907 622 2HG2 THR 73 2HG2 THR 73 2.068 11.598 1.859 623 3HG2 THR 73 3HG2 THR 73 1.866 9.847 1.925 624 H ALA 74 H ALA 74 0.309 14.025 0.335 625 HA ALA 74 HA ALA 74 1.378 15.034 2.802 626 1HB ALA 74 1HB ALA 74 2.117 15.865 0.632 627 2HB ALA 74 2HB ALA 74 1.433 17.219 1.531 628 3HB ALA 74 3HB ALA 74 0.494 16.442 0.256 629 H LYS 75 H LYS 75 -1.835 15.533 1.263 630 HA LYS 75 HA LYS 75 -2.645 17.147 3.654 631 1HB LYS 75 1HB LYS 75 -2.843 17.819 1.101 632 2HB LYS 75 2HB LYS 75 -4.299 16.827 1.173 633 1HG LYS 75 1HG LYS 75 -5.363 18.248 2.662 634 2HG LYS 75 2HG LYS 75 -3.847 18.846 3.336 635 1HD LYS 75 1HD LYS 75 -4.559 20.671 2.058 636 2HD LYS 75 2HD LYS 75 -3.479 19.839 0.939 637 1HE LYS 75 1HE LYS 75 -5.212 19.122 -0.412 638 2HE LYS 75 2HE LYS 75 -6.356 19.014 0.941 639 1HZ LYS 75 1HZ LYS 75 -6.255 21.459 1.107 640 2HZ LYS 75 2HZ LYS 75 -6.896 20.934 -0.377 641 3HZ LYS 75 3HZ LYS 75 -5.297 21.503 -0.293 642 H GLU 76 H GLU 76 -2.556 13.989 3.336 643 HA GLU 76 HA GLU 76 -5.442 13.535 4.006 644 1HB GLU 76 1HB GLU 76 -4.382 12.484 1.929 645 2HB GLU 76 2HB GLU 76 -3.422 11.504 3.037 646 1HG GLU 76 1HG GLU 76 -5.904 11.141 4.090 647 2HG GLU 76 2HG GLU 76 -6.311 11.348 2.387 648 H LYS 77 H LYS 77 -2.599 13.995 5.664 649 HA LYS 77 HA LYS 77 -1.792 13.282 7.739 650 1HB LYS 77 1HB LYS 77 -4.751 12.859 7.723 651 2HB LYS 77 2HB LYS 77 -3.839 12.199 9.081 652 1HG LYS 77 1HG LYS 77 -3.278 14.268 9.889 653 2HG LYS 77 2HG LYS 77 -3.165 14.980 8.280 654 1HD LYS 77 1HD LYS 77 -5.871 14.114 9.159 655 2HD LYS 77 2HD LYS 77 -5.196 15.532 9.962 656 1HE LYS 77 1HE LYS 77 -5.328 16.822 8.071 657 2HE LYS 77 2HE LYS 77 -4.901 15.470 7.002 658 1HZ LYS 77 1HZ LYS 77 -7.087 14.500 7.447 659 2HZ LYS 77 2HZ LYS 77 -7.229 16.034 6.732 660 3HZ LYS 77 3HZ LYS 77 -7.500 15.842 8.397 661 H PHE 78 H PHE 78 -1.442 11.363 5.501 662 HA PHE 78 HA PHE 78 -2.170 8.691 6.330 663 1HB PHE 78 1HB PHE 78 -0.496 9.929 4.278 664 2HB PHE 78 2HB PHE 78 0.261 8.477 4.924 665 HD1 PHE 78 HD1 PHE 78 -1.961 6.722 5.594 666 HD2 PHE 78 HD2 PHE 78 -1.515 9.364 2.225 667 HE1 PHE 78 HE1 PHE 78 -3.559 5.345 4.294 668 HE2 PHE 78 HE2 PHE 78 -3.113 7.977 0.932 669 HZ PHE 78 HZ PHE 78 -4.137 5.969 1.973 670 H SER 79 H SER 79 0.123 7.158 6.620 671 HA SER 79 HA SER 79 1.235 8.217 9.180 672 1HB SER 79 1HB SER 79 0.105 5.675 8.225 673 2HB SER 79 2HB SER 79 1.608 5.473 9.110 674 HG SER 79 HG SER 79 -0.570 5.626 10.271 675 HA PRO 80 HA PRO 80 5.316 7.795 7.628 676 1HB PRO 80 1HB PRO 80 6.640 6.130 9.342 677 2HB PRO 80 2HB PRO 80 6.216 7.807 9.734 678 1HG PRO 80 1HG PRO 80 4.823 5.283 10.497 679 2HG PRO 80 2HG PRO 80 5.179 6.714 11.481 680 1HD PRO 80 1HD PRO 80 2.749 6.286 10.429 681 2HD PRO 80 2HD PRO 80 3.418 7.921 10.605 682 H LEU 81 H LEU 81 3.419 4.843 7.917 683 HA LEU 81 HA LEU 81 5.336 3.476 6.074 684 1HB LEU 81 1HB LEU 81 3.463 2.642 8.254 685 2HB LEU 81 2HB LEU 81 3.691 1.527 6.897 686 HG LEU 81 HG LEU 81 6.206 2.703 7.905 687 1HD1 LEU 81 1HD1 LEU 81 6.304 1.613 9.988 688 2HD1 LEU 81 2HD1 LEU 81 4.893 0.620 9.637 689 3HD1 LEU 81 3HD1 LEU 81 4.697 2.337 9.974 690 1HD2 LEU 81 1HD2 LEU 81 6.650 0.102 7.938 691 2HD2 LEU 81 2HD2 LEU 81 6.506 0.948 6.398 692 3HD2 LEU 81 3HD2 LEU 81 5.139 0.034 7.031 693 H THR 82 H THR 82 3.029 5.531 5.437 694 HA THR 82 HA THR 82 1.621 3.705 3.544 695 HB THR 82 HB THR 82 0.278 6.166 4.638 696 HG1 THR 82 HG1 THR 82 0.526 3.667 6.020 697 1HG2 THR 82 1HG2 THR 82 -1.560 4.243 4.536 698 2HG2 THR 82 2HG2 THR 82 -0.395 3.493 3.455 699 3HG2 THR 82 3HG2 THR 82 -1.052 5.085 3.077 700 H SER 83 H SER 83 3.987 5.911 3.360 701 HA SER 83 HA SER 83 2.783 7.202 0.942 702 1HB SER 83 1HB SER 83 5.070 8.271 2.633 703 2HB SER 83 2HB SER 83 4.116 9.149 1.441 704 HG SER 83 HG SER 83 3.550 9.475 3.722 705 H ASN 84 H ASN 84 4.062 4.592 1.123 706 HA ASN 84 HA ASN 84 6.301 5.001 -0.816 707 1HB ASN 84 1HB ASN 84 6.600 4.242 1.890 708 2HB ASN 84 2HB ASN 84 6.687 2.726 0.992 709 1HD2 ASN 84 1HD2 ASN 84 8.347 2.673 -0.862 710 2HD2 ASN 84 2HD2 ASN 84 9.735 3.638 -0.710 711 H LEU 85 H LEU 85 4.508 2.407 0.938 712 HA LEU 85 HA LEU 85 4.177 0.651 -1.316 713 1HB LEU 85 1HB LEU 85 3.771 -0.120 0.964 714 2HB LEU 85 2HB LEU 85 2.559 1.131 1.229 715 HG LEU 85 HG LEU 85 1.105 0.085 -0.478 716 1HD1 LEU 85 1HD1 LEU 85 3.519 -1.661 -0.797 717 2HD1 LEU 85 2HD1 LEU 85 2.433 -1.017 -2.028 718 3HD1 LEU 85 3HD1 LEU 85 1.928 -2.383 -1.034 719 1HD2 LEU 85 1HD2 LEU 85 1.198 -0.641 2.010 720 2HD2 LEU 85 2HD2 LEU 85 2.000 -2.093 1.412 721 3HD2 LEU 85 3HD2 LEU 85 0.365 -1.706 0.878 722 H ILE 86 H ILE 86 2.476 3.651 -0.300 723 HA ILE 86 HA ILE 86 0.113 3.326 -1.880 724 HB ILE 86 HB ILE 86 0.514 5.073 -0.119 725 1HG1 ILE 86 1HG1 ILE 86 -0.129 6.776 -2.435 726 2HG1 ILE 86 2HG1 ILE 86 -1.016 5.253 -2.417 727 1HG2 ILE 86 1HG2 ILE 86 2.797 5.726 -0.749 728 2HG2 ILE 86 2HG2 ILE 86 1.735 7.131 -0.767 729 3HG2 ILE 86 3HG2 ILE 86 2.207 6.364 -2.282 730 1HD1 ILE 86 1HD1 ILE 86 -2.058 5.730 -0.387 731 2HD1 ILE 86 2HD1 ILE 86 -1.981 7.327 -1.131 732 3HD1 ILE 86 3HD1 ILE 86 -0.803 6.870 0.103 733 H ASN 87 H ASN 87 3.378 4.535 -2.762 734 HA ASN 87 HA ASN 87 2.664 5.418 -5.428 735 1HB ASN 87 1HB ASN 87 5.177 4.638 -3.977 736 2HB ASN 87 2HB ASN 87 5.245 4.808 -5.731 737 1HD2 ASN 87 1HD2 ASN 87 6.535 6.816 -5.625 738 2HD2 ASN 87 2HD2 ASN 87 5.844 8.265 -5.073 739 H LEU 88 H LEU 88 4.084 2.316 -4.253 740 HA LEU 88 HA LEU 88 4.218 0.908 -6.705 741 1HB LEU 88 1HB LEU 88 3.884 0.214 -3.828 742 2HB LEU 88 2HB LEU 88 3.464 -1.053 -4.976 743 HG LEU 88 HG LEU 88 6.003 0.418 -5.473 744 1HD1 LEU 88 1HD1 LEU 88 5.517 -1.446 -3.148 745 2HD1 LEU 88 2HD1 LEU 88 6.337 0.115 -3.147 746 3HD1 LEU 88 3HD1 LEU 88 7.113 -1.288 -3.881 747 1HD2 LEU 88 1HD2 LEU 88 4.859 -1.621 -6.724 748 2HD2 LEU 88 2HD2 LEU 88 5.624 -2.558 -5.440 749 3HD2 LEU 88 3HD2 LEU 88 6.610 -1.571 -6.520 750 H LEU 89 H LEU 89 1.375 1.365 -4.551 751 HA LEU 89 HA LEU 89 -0.423 -0.356 -5.998 752 1HB LEU 89 1HB LEU 89 -0.874 2.143 -4.333 753 2HB LEU 89 2HB LEU 89 -2.185 1.105 -4.902 754 HG LEU 89 HG LEU 89 0.159 0.145 -3.231 755 1HD1 LEU 89 1HD1 LEU 89 -1.115 0.411 -1.326 756 2HD1 LEU 89 2HD1 LEU 89 -2.640 0.233 -2.194 757 3HD1 LEU 89 3HD1 LEU 89 -1.756 1.757 -2.268 758 1HD2 LEU 89 1HD2 LEU 89 -2.158 -1.139 -4.582 759 2HD2 LEU 89 2HD2 LEU 89 -1.798 -1.704 -2.949 760 3HD2 LEU 89 3HD2 LEU 89 -0.566 -1.796 -4.210 761 H ALA 90 H ALA 90 0.480 3.081 -6.496 762 HA ALA 90 HA ALA 90 -1.206 3.072 -8.976 763 1HB ALA 90 1HB ALA 90 -1.171 4.812 -6.888 764 2HB ALA 90 2HB ALA 90 -1.607 5.290 -8.529 765 3HB ALA 90 3HB ALA 90 0.031 5.566 -7.937 766 H GLU 91 H GLU 91 1.617 1.863 -8.661 767 HA GLU 91 HA GLU 91 3.139 3.736 -10.445 768 1HB GLU 91 1HB GLU 91 4.186 2.987 -8.325 769 2HB GLU 91 2HB GLU 91 4.011 1.309 -8.836 770 1HG GLU 91 1HG GLU 91 5.422 1.810 -10.834 771 2HG GLU 91 2HG GLU 91 5.660 3.447 -10.219 772 H ASN 92 H ASN 92 2.315 0.213 -10.157 773 HA ASN 92 HA ASN 92 2.831 0.002 -13.106 774 1HB ASN 92 1HB ASN 92 3.320 -1.696 -10.721 775 2HB ASN 92 2HB ASN 92 2.807 -2.553 -12.177 776 1HD2 ASN 92 1HD2 ASN 92 5.478 -0.777 -10.707 777 2HD2 ASN 92 2HD2 ASN 92 6.549 -0.955 -12.011 778 H GLY 93 H GLY 93 0.208 0.892 -11.839 779 1HA GLY 93 1HA GLY 93 -2.039 0.517 -12.411 780 2HA GLY 93 2HA GLY 93 -1.524 -0.888 -13.350 781 H ARG 94 H ARG 94 -1.200 -0.060 -9.849 782 HA ARG 94 HA ARG 94 -2.263 -2.793 -9.276 783 1HB ARG 94 1HB ARG 94 -0.291 -0.937 -8.051 784 2HB ARG 94 2HB ARG 94 -1.224 -1.928 -6.931 785 1HG ARG 94 1HG ARG 94 0.090 -3.155 -9.350 786 2HG ARG 94 2HG ARG 94 0.998 -2.900 -7.860 787 1HD ARG 94 1HD ARG 94 0.164 -4.921 -7.208 788 2HD ARG 94 2HD ARG 94 -1.375 -4.070 -6.969 789 HE ARG 94 HE ARG 94 -2.162 -5.060 -8.966 790 1HH1 ARG 94 1HH1 ARG 94 0.706 -6.524 -8.265 791 2HH1 ARG 94 2HH1 ARG 94 1.155 -6.890 -9.897 792 1HH2 ARG 94 1HH2 ARG 94 -1.348 -4.946 -11.304 793 2HH2 ARG 94 2HH2 ARG 94 -0.008 -5.997 -11.617 794 H LEU 95 H LEU 95 -4.068 -0.454 -9.885 795 HA LEU 95 HA LEU 95 -5.349 -0.087 -7.196 796 1HB LEU 95 1HB LEU 95 -5.567 1.428 -9.828 797 2HB LEU 95 2HB LEU 95 -6.508 1.813 -8.385 798 HG LEU 95 HG LEU 95 -3.507 1.633 -8.230 799 1HD1 LEU 95 1HD1 LEU 95 -3.169 3.718 -9.120 800 2HD1 LEU 95 2HD1 LEU 95 -4.754 4.305 -8.615 801 3HD1 LEU 95 3HD1 LEU 95 -4.604 3.295 -10.054 802 1HD2 LEU 95 1HD2 LEU 95 -4.837 1.758 -6.149 803 2HD2 LEU 95 2HD2 LEU 95 -5.604 3.236 -6.729 804 3HD2 LEU 95 3HD2 LEU 95 -3.877 3.220 -6.371 805 H THR 96 H THR 96 -5.620 -2.573 -8.350 806 HA THR 96 HA THR 96 -8.485 -2.613 -9.243 807 HB THR 96 HB THR 96 -7.667 -4.681 -10.573 808 HG1 THR 96 HG1 THR 96 -5.488 -4.770 -10.943 809 1HG2 THR 96 1HG2 THR 96 -8.264 -2.623 -11.711 810 2HG2 THR 96 2HG2 THR 96 -6.771 -3.241 -12.418 811 3HG2 THR 96 3HG2 THR 96 -6.718 -1.893 -11.282 812 H ASN 97 H ASN 97 -5.800 -4.767 -8.108 813 HA ASN 97 HA ASN 97 -7.745 -6.160 -6.317 814 1HB ASN 97 1HB ASN 97 -4.910 -6.761 -7.238 815 2HB ASN 97 2HB ASN 97 -5.822 -7.786 -6.127 816 1HD2 ASN 97 1HD2 ASN 97 -5.672 -6.652 -9.518 817 2HD2 ASN 97 2HD2 ASN 97 -6.755 -7.814 -10.117 818 H THR 98 H THR 98 -6.327 -3.340 -5.927 819 HA THR 98 HA THR 98 -4.346 -3.336 -3.988 820 HB THR 98 HB THR 98 -6.542 -1.463 -3.423 821 HG1 THR 98 HG1 THR 98 -6.672 -0.617 -5.433 822 1HG2 THR 98 1HG2 THR 98 -3.822 -1.450 -3.234 823 2HG2 THR 98 2HG2 THR 98 -4.812 0.009 -3.265 824 3HG2 THR 98 3HG2 THR 98 -4.060 -0.579 -4.748 825 HA PRO 99 HA PRO 99 -7.584 -3.827 -0.452 826 1HB PRO 99 1HB PRO 99 -9.897 -5.171 -1.093 827 2HB PRO 99 2HB PRO 99 -9.760 -3.400 -1.078 828 1HG PRO 99 1HG PRO 99 -9.597 -5.288 -3.384 829 2HG PRO 99 2HG PRO 99 -10.441 -3.734 -3.258 830 1HD PRO 99 1HD PRO 99 -8.095 -3.945 -4.508 831 2HD PRO 99 2HD PRO 99 -8.501 -2.502 -3.562 832 H ALA 100 H ALA 100 -7.459 -6.322 -3.038 833 HA ALA 100 HA ALA 100 -7.533 -8.656 -1.365 834 1HB ALA 100 1HB ALA 100 -7.547 -8.470 -3.932 835 2HB ALA 100 2HB ALA 100 -6.582 -9.784 -3.261 836 3HB ALA 100 3HB ALA 100 -5.793 -8.311 -3.828 837 H VAL 101 H VAL 101 -4.819 -6.461 -2.216 838 HA VAL 101 HA VAL 101 -2.726 -8.031 -0.969 839 HB VAL 101 HB VAL 101 -2.959 -5.021 -1.379 840 1HG1 VAL 101 1HG1 VAL 101 -1.113 -5.277 0.035 841 2HG1 VAL 101 2HG1 VAL 101 -0.366 -5.388 -1.559 842 3HG1 VAL 101 3HG1 VAL 101 -0.694 -6.854 -0.635 843 1HG2 VAL 101 1HG2 VAL 101 -2.406 -5.326 -3.568 844 2HG2 VAL 101 2HG2 VAL 101 -3.033 -6.956 -3.326 845 3HG2 VAL 101 3HG2 VAL 101 -1.300 -6.651 -3.206 846 H ILE 102 H ILE 102 -4.925 -5.477 0.280 847 HA ILE 102 HA ILE 102 -3.694 -5.198 2.869 848 HB ILE 102 HB ILE 102 -6.579 -4.839 1.960 849 1HG1 ILE 102 1HG1 ILE 102 -4.554 -2.673 2.505 850 2HG1 ILE 102 2HG1 ILE 102 -4.602 -3.471 0.936 851 1HG2 ILE 102 1HG2 ILE 102 -6.725 -4.932 4.319 852 2HG2 ILE 102 2HG2 ILE 102 -6.557 -3.209 3.980 853 3HG2 ILE 102 3HG2 ILE 102 -5.164 -4.139 4.534 854 1HD1 ILE 102 1HD1 ILE 102 -6.521 -1.570 2.143 855 2HD1 ILE 102 2HD1 ILE 102 -7.249 -2.939 1.302 856 3HD1 ILE 102 3HD1 ILE 102 -6.144 -1.864 0.446 857 H SER 103 H SER 103 -6.146 -7.532 1.651 858 HA SER 103 HA SER 103 -6.942 -8.679 4.141 859 1HB SER 103 1HB SER 103 -7.623 -9.132 1.605 860 2HB SER 103 2HB SER 103 -6.438 -10.428 1.746 861 HG SER 103 HG SER 103 -8.363 -11.273 2.406 862 H ALA 104 H ALA 104 -4.106 -9.461 2.076 863 HA ALA 104 HA ALA 104 -3.098 -11.629 3.686 864 1HB ALA 104 1HB ALA 104 -1.849 -9.618 1.804 865 2HB ALA 104 2HB ALA 104 -2.136 -11.337 1.534 866 3HB ALA 104 3HB ALA 104 -0.855 -10.817 2.630 867 H PHE 105 H PHE 105 -2.716 -8.076 3.971 868 HA PHE 105 HA PHE 105 -0.651 -7.978 5.935 869 1HB PHE 105 1HB PHE 105 -1.933 -6.101 4.642 870 2HB PHE 105 2HB PHE 105 -3.079 -6.173 5.979 871 HD1 PHE 105 HD1 PHE 105 -1.837 -6.256 8.408 872 HD2 PHE 105 HD2 PHE 105 -0.234 -4.537 4.817 873 HE1 PHE 105 HE1 PHE 105 -0.338 -4.837 9.754 874 HE2 PHE 105 HE2 PHE 105 1.274 -3.120 6.173 875 HZ PHE 105 HZ PHE 105 1.220 -3.279 8.642 876 H SER 106 H SER 106 -4.198 -8.409 6.360 877 HA SER 106 HA SER 106 -4.074 -8.417 9.269 878 1HB SER 106 1HB SER 106 -6.368 -8.855 9.131 879 2HB SER 106 2HB SER 106 -6.078 -8.158 7.540 880 HG SER 106 HG SER 106 -6.116 -10.151 6.654 881 H THR 107 H THR 107 -3.936 -11.019 6.798 882 HA THR 107 HA THR 107 -3.882 -13.149 8.813 883 HB THR 107 HB THR 107 -2.701 -13.698 6.155 884 HG1 THR 107 HG1 THR 107 -4.542 -13.232 5.023 885 1HG2 THR 107 1HG2 THR 107 -5.099 -14.765 7.675 886 2HG2 THR 107 2HG2 THR 107 -3.483 -15.471 7.652 887 3HG2 THR 107 3HG2 THR 107 -4.459 -15.454 6.183 888 H MET 108 H MET 108 -1.383 -11.288 7.018 889 HA MET 108 HA MET 108 0.800 -12.949 8.054 890 1HB MET 108 1HB MET 108 0.654 -10.213 6.751 891 2HB MET 108 2HB MET 108 2.176 -10.973 7.214 892 1HG MET 108 1HG MET 108 0.130 -12.261 5.385 893 2HG MET 108 2HG MET 108 1.542 -11.374 4.811 894 1HE MET 108 1HE MET 108 3.925 -12.943 4.287 895 2HE MET 108 2HE MET 108 2.347 -12.861 3.510 896 3HE MET 108 3HE MET 108 3.080 -14.429 3.835 897 H MET 109 H MET 109 -0.864 -9.948 9.098 898 HA MET 109 HA MET 109 0.990 -9.131 11.132 899 1HB MET 109 1HB MET 109 -0.979 -7.809 10.366 900 2HB MET 109 2HB MET 109 -2.058 -8.989 11.110 901 1HG MET 109 1HG MET 109 -1.239 -8.462 13.314 902 2HG MET 109 2HG MET 109 0.057 -7.467 12.654 903 1HE MET 109 1HE MET 109 -3.626 -6.708 14.308 904 2HE MET 109 2HE MET 109 -3.271 -8.206 13.450 905 3HE MET 109 3HE MET 109 -4.356 -7.021 12.726 906 H SER 110 H SER 110 -1.667 -11.591 11.225 907 HA SER 110 HA SER 110 -1.527 -12.147 14.041 908 1HB SER 110 1HB SER 110 -2.124 -13.925 11.650 909 2HB SER 110 2HB SER 110 -2.361 -14.444 13.317 910 HG SER 110 HG SER 110 -4.281 -13.589 12.689 911 H VAL 111 H VAL 111 0.623 -13.210 11.389 912 HA VAL 111 HA VAL 111 2.055 -15.122 13.103 913 HB VAL 111 HB VAL 111 2.805 -13.887 10.427 914 1HG1 VAL 111 1HG1 VAL 111 4.758 -14.884 11.356 915 2HG1 VAL 111 2HG1 VAL 111 4.095 -16.101 10.264 916 3HG1 VAL 111 3HG1 VAL 111 3.846 -16.247 12.003 917 1HG2 VAL 111 1HG2 VAL 111 0.808 -15.003 9.964 918 2HG2 VAL 111 2HG2 VAL 111 1.063 -16.197 11.236 919 3HG2 VAL 111 3HG2 VAL 111 1.981 -16.299 9.734 920 H HIS 112 H HIS 112 2.163 -11.657 12.886 921 HA HIS 112 HA HIS 112 5.021 -11.516 13.581 922 1HB HIS 112 1HB HIS 112 4.822 -9.389 12.778 923 2HB HIS 112 2HB HIS 112 3.269 -9.928 12.158 924 HD1 HIS 112 HD1 HIS 112 1.252 -9.619 14.158 925 HD2 HIS 112 HD2 HIS 112 4.573 -7.173 14.264 926 HE1 HIS 112 HE1 HIS 112 0.622 -7.658 15.610 927 H ARG 113 H ARG 113 1.869 -11.573 15.215 928 HA ARG 113 HA ARG 113 3.096 -10.561 17.736 929 1HB ARG 113 1HB ARG 113 0.634 -10.244 16.552 930 2HB ARG 113 2HB ARG 113 0.298 -11.523 17.718 931 1HG ARG 113 1HG ARG 113 1.003 -10.183 19.554 932 2HG ARG 113 2HG ARG 113 1.774 -9.003 18.493 933 1HD ARG 113 1HD ARG 113 -0.257 -8.034 17.871 934 2HD ARG 113 2HD ARG 113 -1.180 -9.510 18.216 935 HE ARG 113 HE ARG 113 -0.671 -9.066 20.661 936 1HH1 ARG 113 1HH1 ARG 113 1.253 -6.798 20.162 937 2HH1 ARG 113 2HH1 ARG 113 0.258 -5.416 20.476 938 1HH2 ARG 113 1HH2 ARG 113 -2.719 -7.181 20.271 939 2HH2 ARG 113 2HH2 ARG 113 -1.991 -5.633 20.538 940 H GLY 114 H GLY 114 1.847 -13.613 16.317 941 1HA GLY 114 1HA GLY 114 1.663 -15.117 18.721 942 2HA GLY 114 2HA GLY 114 1.942 -15.802 17.122 943 H GLU 115 H GLU 115 4.510 -14.384 16.662 944 HA GLU 115 HA GLU 115 6.190 -15.759 18.734 945 1HB GLU 115 1HB GLU 115 5.800 -16.642 16.230 946 2HB GLU 115 2HB GLU 115 7.098 -15.492 15.902 947 1HG GLU 115 1HG GLU 115 7.393 -17.386 18.208 948 2HG GLU 115 2HG GLU 115 7.672 -17.985 16.572 949 H VAL 116 H VAL 116 6.151 -13.389 19.634 950 HA VAL 116 HA VAL 116 8.476 -11.942 18.457 951 HB VAL 116 HB VAL 116 6.422 -10.993 17.487 952 1HG1 VAL 116 1HG1 VAL 116 4.872 -11.669 19.293 953 2HG1 VAL 116 2HG1 VAL 116 4.730 -9.948 18.940 954 3HG1 VAL 116 3HG1 VAL 116 5.615 -10.485 20.368 955 1HG2 VAL 116 1HG2 VAL 116 8.265 -9.451 17.971 956 2HG2 VAL 116 2HG2 VAL 116 7.675 -9.235 19.620 957 3HG2 VAL 116 3HG2 VAL 116 6.722 -8.645 18.259 958 HA PRO 117 HA PRO 117 9.378 -11.710 22.803 959 1HB PRO 117 1HB PRO 117 11.392 -9.862 22.742 960 2HB PRO 117 2HB PRO 117 11.612 -11.545 22.225 961 1HG PRO 117 1HG PRO 117 11.234 -9.097 20.587 962 2HG PRO 117 2HG PRO 117 12.247 -10.516 20.283 963 1HD PRO 117 1HD PRO 117 9.823 -10.068 19.082 964 2HD PRO 117 2HD PRO 117 10.546 -11.675 19.306 965 H CYS 118 H CYS 118 9.572 -9.881 24.569 966 HA CYS 118 HA CYS 118 8.135 -7.390 23.779 967 1HB CYS 118 1HB CYS 118 6.533 -7.776 25.649 968 2HB CYS 118 2HB CYS 118 6.435 -9.041 24.427 969 HG CYS 118 HG CYS 118 8.078 -9.495 27.054 970 H THR 119 H THR 119 9.046 -5.612 24.840 971 HA THR 119 HA THR 119 10.441 -6.074 27.441 972 HB THR 119 HB THR 119 11.662 -4.483 25.179 973 HG1 THR 119 HG1 THR 119 11.622 -6.442 24.279 974 1HG2 THR 119 1HG2 THR 119 13.547 -4.424 26.492 975 2HG2 THR 119 2HG2 THR 119 13.211 -5.990 27.229 976 3HG2 THR 119 3HG2 THR 119 12.338 -4.556 27.770 977 H VAL 120 H VAL 120 8.693 -4.812 28.448 978 HA VAL 120 HA VAL 120 8.927 -1.883 27.905 979 HB VAL 120 HB VAL 120 7.011 -2.792 26.644 980 1HG1 VAL 120 1HG1 VAL 120 6.538 -4.786 27.943 981 2HG1 VAL 120 2HG1 VAL 120 5.095 -3.771 27.944 982 3HG1 VAL 120 3HG1 VAL 120 6.141 -3.817 29.363 983 1HG2 VAL 120 1HG2 VAL 120 5.341 -1.270 27.452 984 2HG2 VAL 120 2HG2 VAL 120 6.901 -0.541 27.836 985 3HG2 VAL 120 3HG2 VAL 120 5.972 -1.351 29.097 986 1H GLN 1 1H GLN 1 -1.901 -10.416 -19.962 987 2H GLN 1 2H GLN 1 -0.501 -10.983 -20.741 988 3H GLN 1 3H GLN 1 -1.064 -9.407 -21.038 989 HA GLN 1 HA GLN 1 -0.571 -8.757 -18.763 990 1HB GLN 1 1HB GLN 1 -1.048 -11.322 -18.225 991 2HB GLN 1 2HB GLN 1 0.706 -11.438 -18.363 992 1HG GLN 1 1HG GLN 1 1.081 -10.076 -16.525 993 2HG GLN 1 2HG GLN 1 -0.448 -9.219 -16.717 994 1HE2 GLN 1 1HE2 GLN 1 0.290 -12.767 -16.404 995 2HE2 GLN 1 2HE2 GLN 1 -0.762 -12.999 -15.092 996 H LYS 2 H LYS 2 1.392 -7.602 -18.698 997 HA LYS 2 HA LYS 2 3.627 -8.653 -20.408 998 1HB LYS 2 1HB LYS 2 2.325 -5.989 -20.028 999 2HB LYS 2 2HB LYS 2 4.056 -6.010 -20.369 1000 1HG LYS 2 1HG LYS 2 3.144 -5.951 -22.522 1001 2HG LYS 2 2HG LYS 2 3.391 -7.681 -22.275 1002 1HD LYS 2 1HD LYS 2 1.138 -8.115 -22.062 1003 2HD LYS 2 2HD LYS 2 0.792 -6.529 -21.372 1004 1HE LYS 2 1HE LYS 2 0.876 -5.466 -23.517 1005 2HE LYS 2 2HE LYS 2 1.592 -6.901 -24.274 1006 1HZ LYS 2 1HZ LYS 2 -0.757 -6.909 -24.699 1007 2HZ LYS 2 2HZ LYS 2 -1.108 -6.699 -23.049 1008 3HZ LYS 2 3HZ LYS 2 -0.410 -8.150 -23.594 1009 H THR 3 H THR 3 3.369 -9.329 -17.575 1010 HA THR 3 HA THR 3 5.779 -7.891 -16.527 1011 HB THR 3 HB THR 3 3.439 -8.679 -14.794 1012 HG1 THR 3 HG1 THR 3 2.493 -6.757 -15.215 1013 1HG2 THR 3 1HG2 THR 3 4.353 -6.623 -13.548 1014 2HG2 THR 3 2HG2 THR 3 5.747 -6.743 -14.622 1015 3HG2 THR 3 3HG2 THR 3 5.354 -8.075 -13.536 1016 H GLY 4 H GLY 4 7.155 -9.250 -15.202 1017 1HA GLY 4 1HA GLY 4 6.648 -12.149 -15.541 1018 2HA GLY 4 2HA GLY 4 8.170 -11.418 -15.028 1019 H THR 5 H THR 5 8.580 -12.215 -12.967 1020 HA THR 5 HA THR 5 6.456 -11.790 -10.909 1021 HB THR 5 HB THR 5 7.291 -14.145 -10.081 1022 HG1 THR 5 HG1 THR 5 8.127 -15.400 -11.660 1023 1HG2 THR 5 1HG2 THR 5 5.045 -13.361 -11.232 1024 2HG2 THR 5 2HG2 THR 5 5.396 -15.079 -11.041 1025 3HG2 THR 5 3HG2 THR 5 5.669 -14.292 -12.595 1026 H ALA 6 H ALA 6 7.709 -10.105 -9.886 1027 HA ALA 6 HA ALA 6 10.325 -11.026 -8.735 1028 1HB ALA 6 1HB ALA 6 10.502 -9.408 -10.648 1029 2HB ALA 6 2HB ALA 6 11.160 -8.770 -9.141 1030 3HB ALA 6 3HB ALA 6 9.570 -8.249 -9.699 1031 H GLU 7 H GLU 7 10.834 -8.939 -7.001 1032 HA GLU 7 HA GLU 7 8.365 -8.605 -5.345 1033 1HB GLU 7 1HB GLU 7 11.101 -9.643 -4.534 1034 2HB GLU 7 2HB GLU 7 9.866 -9.153 -3.376 1035 1HG GLU 7 1HG GLU 7 9.238 -11.174 -5.519 1036 2HG GLU 7 2HG GLU 7 10.015 -11.666 -4.017 1037 H VAL 8 H VAL 8 9.236 -6.543 -6.938 1038 HA VAL 8 HA VAL 8 11.317 -4.845 -6.081 1039 HB VAL 8 HB VAL 8 9.943 -2.993 -7.024 1040 1HG1 VAL 8 1HG1 VAL 8 9.344 -5.273 -8.841 1041 2HG1 VAL 8 2HG1 VAL 8 11.028 -5.053 -8.364 1042 3HG1 VAL 8 3HG1 VAL 8 10.164 -3.749 -9.178 1043 1HG2 VAL 8 1HG2 VAL 8 7.663 -3.358 -7.719 1044 2HG2 VAL 8 2HG2 VAL 8 7.774 -3.839 -6.028 1045 3HG2 VAL 8 3HG2 VAL 8 7.744 -5.065 -7.293 1046 H SER 9 H SER 9 8.149 -5.348 -4.523 1047 HA SER 9 HA SER 9 8.463 -3.077 -2.690 1048 1HB SER 9 1HB SER 9 6.246 -3.981 -3.262 1049 2HB SER 9 2HB SER 9 6.698 -5.555 -2.613 1050 HG SER 9 HG SER 9 6.336 -3.103 -1.243 1051 H SER 10 H SER 10 9.200 -6.586 -2.575 1052 HA SER 10 HA SER 10 9.981 -6.546 0.246 1053 1HB SER 10 1HB SER 10 9.376 -8.494 -1.548 1054 2HB SER 10 2HB SER 10 11.133 -8.560 -1.628 1055 HG SER 10 HG SER 10 10.081 -9.891 0.032 1056 H ILE 11 H ILE 11 11.773 -6.341 -2.871 1057 HA ILE 11 HA ILE 11 14.392 -6.227 -1.627 1058 HB ILE 11 HB ILE 11 13.899 -6.757 -4.046 1059 1HG1 ILE 11 1HG1 ILE 11 15.761 -4.390 -3.853 1060 2HG1 ILE 11 2HG1 ILE 11 16.153 -5.934 -3.096 1061 1HG2 ILE 11 1HG2 ILE 11 12.250 -4.868 -4.341 1062 2HG2 ILE 11 2HG2 ILE 11 13.460 -4.980 -5.615 1063 3HG2 ILE 11 3HG2 ILE 11 13.616 -3.757 -4.356 1064 1HD1 ILE 11 1HD1 ILE 11 15.231 -6.046 -5.922 1065 2HD1 ILE 11 2HD1 ILE 11 16.475 -6.993 -5.106 1066 3HD1 ILE 11 3HD1 ILE 11 16.829 -5.350 -5.644 1067 H LEU 12 H LEU 12 11.961 -3.712 -2.419 1068 HA LEU 12 HA LEU 12 13.637 -1.417 -1.967 1069 1HB LEU 12 1HB LEU 12 11.197 -1.652 -2.892 1070 2HB LEU 12 2HB LEU 12 10.719 -1.520 -1.199 1071 HG LEU 12 HG LEU 12 12.227 0.573 -1.130 1072 1HD1 LEU 12 1HD1 LEU 12 13.006 1.493 -3.093 1073 2HD1 LEU 12 2HD1 LEU 12 11.695 0.811 -4.055 1074 3HD1 LEU 12 3HD1 LEU 12 13.049 -0.207 -3.563 1075 1HD2 LEU 12 1HD2 LEU 12 9.749 0.633 -1.089 1076 2HD2 LEU 12 2HD2 LEU 12 9.727 0.587 -2.852 1077 3HD2 LEU 12 3HD2 LEU 12 10.407 1.982 -2.015 1078 H GLU 13 H GLU 13 11.760 -3.458 0.328 1079 HA GLU 13 HA GLU 13 12.058 -1.806 2.652 1080 1HB GLU 13 1HB GLU 13 10.616 -3.839 2.474 1081 2HB GLU 13 2HB GLU 13 12.067 -4.843 2.474 1082 1HG GLU 13 1HG GLU 13 11.801 -2.867 4.687 1083 2HG GLU 13 2HG GLU 13 10.724 -4.264 4.732 1084 H GLU 14 H GLU 14 14.293 -4.252 1.255 1085 HA GLU 14 HA GLU 14 16.224 -4.249 3.380 1086 1HB GLU 14 1HB GLU 14 16.135 -5.830 1.424 1087 2HB GLU 14 2HB GLU 14 16.726 -4.526 0.393 1088 1HG GLU 14 1HG GLU 14 18.788 -4.377 1.658 1089 2HG GLU 14 2HG GLU 14 18.189 -5.532 2.849 1090 H ARG 15 H ARG 15 15.902 -2.097 0.517 1091 HA ARG 15 HA ARG 15 18.330 -0.619 0.859 1092 1HB ARG 15 1HB ARG 15 16.792 -0.500 -1.108 1093 2HB ARG 15 2HB ARG 15 15.629 0.381 -0.118 1094 1HG ARG 15 1HG ARG 15 17.018 2.271 0.057 1095 2HG ARG 15 2HG ARG 15 18.465 1.361 -0.381 1096 1HD ARG 15 1HD ARG 15 17.817 2.716 -2.301 1097 2HD ARG 15 2HD ARG 15 17.437 1.024 -2.682 1098 HE ARG 15 HE ARG 15 15.125 1.540 -2.498 1099 1HH1 ARG 15 1HH1 ARG 15 16.688 4.370 -2.898 1100 2HH1 ARG 15 2HH1 ARG 15 15.598 5.361 -1.986 1101 1HH2 ARG 15 1HH2 ARG 15 13.891 2.675 -0.607 1102 2HH2 ARG 15 2HH2 ARG 15 14.014 4.400 -0.690 1103 H ILE 16 H ILE 16 15.145 -0.225 2.467 1104 HA ILE 16 HA ILE 16 16.188 2.137 3.948 1105 HB ILE 16 HB ILE 16 13.872 2.397 4.694 1106 1HG1 ILE 16 1HG1 ILE 16 13.118 -0.075 3.124 1107 2HG1 ILE 16 2HG1 ILE 16 13.494 -0.162 4.844 1108 1HG2 ILE 16 1HG2 ILE 16 13.577 1.607 1.819 1109 2HG2 ILE 16 2HG2 ILE 16 14.709 2.891 2.242 1110 3HG2 ILE 16 3HG2 ILE 16 13.000 3.054 2.648 1111 1HD1 ILE 16 1HD1 ILE 16 11.017 0.196 4.145 1112 2HD1 ILE 16 2HD1 ILE 16 11.514 1.856 3.812 1113 3HD1 ILE 16 3HD1 ILE 16 11.673 1.196 5.441 1114 H LEU 17 H LEU 17 15.348 -1.287 4.551 1115 HA LEU 17 HA LEU 17 16.252 -0.893 7.387 1116 1HB LEU 17 1HB LEU 17 13.950 -2.224 6.106 1117 2HB LEU 17 2HB LEU 17 14.758 -3.210 7.325 1118 HG LEU 17 HG LEU 17 14.678 -0.878 8.664 1119 1HD1 LEU 17 1HD1 LEU 17 12.375 0.095 8.238 1120 2HD1 LEU 17 2HD1 LEU 17 12.331 -0.846 6.747 1121 3HD1 LEU 17 3HD1 LEU 17 13.554 0.405 6.962 1122 1HD2 LEU 17 1HD2 LEU 17 13.797 -2.828 9.672 1123 2HD2 LEU 17 2HD2 LEU 17 12.606 -3.057 8.392 1124 3HD2 LEU 17 3HD2 LEU 17 12.404 -1.751 9.561 1125 H GLY 18 H GLY 18 18.186 -1.965 7.814 1126 1HA GLY 18 1HA GLY 18 19.489 -3.624 5.887 1127 2HA GLY 18 2HA GLY 18 19.951 -3.488 7.585 1128 H ALA 19 H ALA 19 20.280 -5.990 6.751 1129 HA ALA 19 HA ALA 19 17.769 -7.461 7.495 1130 1HB ALA 19 1HB ALA 19 18.541 -9.189 6.012 1131 2HB ALA 19 2HB ALA 19 20.147 -8.467 5.908 1132 3HB ALA 19 3HB ALA 19 18.769 -7.667 5.152 1133 H ASP 20 H ASP 20 17.899 -8.602 9.437 1134 HA ASP 20 HA ASP 20 20.644 -9.247 10.477 1135 1HB ASP 20 1HB ASP 20 18.251 -7.910 11.620 1136 2HB ASP 20 2HB ASP 20 19.072 -9.045 12.691 1137 H THR 21 H THR 21 20.562 -11.475 9.678 1138 HA THR 21 HA THR 21 18.666 -13.205 11.209 1139 HB THR 21 HB THR 21 19.304 -13.645 8.290 1140 HG1 THR 21 HG1 THR 21 18.320 -11.734 8.153 1141 1HG2 THR 21 1HG2 THR 21 18.307 -15.490 9.612 1142 2HG2 THR 21 2HG2 THR 21 17.205 -14.910 8.362 1143 3HG2 THR 21 3HG2 THR 21 16.960 -14.436 10.043 1144 H SER 22 H SER 22 19.674 -15.119 11.959 1145 HA SER 22 HA SER 22 22.301 -15.881 10.758 1146 1HB SER 22 1HB SER 22 22.928 -16.143 13.329 1147 2HB SER 22 2HB SER 22 23.084 -14.585 12.524 1148 HG SER 22 HG SER 22 21.900 -14.592 14.566 1149 H VAL 23 H VAL 23 19.911 -17.319 10.324 1150 HA VAL 23 HA VAL 23 20.451 -19.796 11.900 1151 HB VAL 23 HB VAL 23 17.992 -20.042 12.228 1152 1HG1 VAL 23 1HG1 VAL 23 19.485 -18.910 13.918 1153 2HG1 VAL 23 2HG1 VAL 23 17.795 -18.409 13.997 1154 3HG1 VAL 23 3HG1 VAL 23 18.991 -17.363 13.230 1155 1HG2 VAL 23 1HG2 VAL 23 16.459 -18.327 11.621 1156 2HG2 VAL 23 2HG2 VAL 23 17.487 -18.521 10.201 1157 3HG2 VAL 23 3HG2 VAL 23 17.753 -17.171 11.304 1158 H ASP 24 H ASP 24 21.370 -19.513 9.292 1159 HA ASP 24 HA ASP 24 19.323 -20.957 7.634 1160 1HB ASP 24 1HB ASP 24 21.597 -19.065 6.979 1161 2HB ASP 24 2HB ASP 24 20.760 -20.005 5.743 1162 H LEU 25 H LEU 25 22.933 -20.627 7.735 1163 HA LEU 25 HA LEU 25 23.080 -23.615 7.460 1164 1HB LEU 25 1HB LEU 25 24.544 -21.331 6.145 1165 2HB LEU 25 2HB LEU 25 25.288 -22.928 6.239 1166 HG LEU 25 HG LEU 25 22.528 -22.412 5.097 1167 1HD1 LEU 25 1HD1 LEU 25 24.401 -21.361 3.778 1168 2HD1 LEU 25 2HD1 LEU 25 23.532 -22.623 2.903 1169 3HD1 LEU 25 3HD1 LEU 25 25.112 -22.967 3.610 1170 1HD2 LEU 25 1HD2 LEU 25 22.626 -24.669 5.766 1171 2HD2 LEU 25 2HD2 LEU 25 24.337 -24.811 5.361 1172 3HD2 LEU 25 3HD2 LEU 25 23.129 -24.737 4.077 Start of MODEL 20 1 1H PHE 1 1H PHE 1 -11.533 -36.483 10.684 2 2H PHE 1 2H PHE 1 -10.980 -37.234 9.264 3 3H PHE 1 3H PHE 1 -9.904 -36.935 10.545 4 HA PHE 1 HA PHE 1 -11.164 -38.492 11.957 5 1HB PHE 1 1HB PHE 1 -13.136 -37.904 10.194 6 2HB PHE 1 2HB PHE 1 -12.595 -39.445 9.529 7 HD1 PHE 1 HD1 PHE 1 -13.546 -41.391 10.383 8 HD2 PHE 1 HD2 PHE 1 -13.352 -37.891 12.864 9 HE1 PHE 1 HE1 PHE 1 -14.766 -42.595 12.176 10 HE2 PHE 1 HE2 PHE 1 -14.571 -39.095 14.657 11 HZ PHE 1 HZ PHE 1 -15.279 -41.446 14.313 12 H ALA 2 H ALA 2 -10.704 -39.224 8.434 13 HA ALA 2 HA ALA 2 -8.593 -41.195 9.250 14 1HB ALA 2 1HB ALA 2 -10.462 -42.515 8.687 15 2HB ALA 2 2HB ALA 2 -9.566 -42.448 7.169 16 3HB ALA 2 3HB ALA 2 -10.971 -41.409 7.411 17 H LYS 3 H LYS 3 -9.936 -39.723 6.220 18 HA LYS 3 HA LYS 3 -7.108 -39.085 5.435 19 1HB LYS 3 1HB LYS 3 -9.406 -40.401 4.088 20 2HB LYS 3 2HB LYS 3 -8.473 -39.284 3.091 21 1HG LYS 3 1HG LYS 3 -6.921 -41.185 4.777 22 2HG LYS 3 2HG LYS 3 -7.776 -41.867 3.392 23 1HD LYS 3 1HD LYS 3 -5.680 -41.262 2.497 24 2HD LYS 3 2HD LYS 3 -6.724 -39.913 2.048 25 1HE LYS 3 1HE LYS 3 -5.865 -38.535 3.815 26 2HE LYS 3 2HE LYS 3 -5.043 -39.913 4.575 27 1HZ LYS 3 1HZ LYS 3 -3.462 -38.699 3.250 28 2HZ LYS 3 2HZ LYS 3 -4.477 -38.775 1.888 29 3HZ LYS 3 3HZ LYS 3 -3.768 -40.192 2.502 30 H LEU 4 H LEU 4 -6.948 -36.834 5.771 31 HA LEU 4 HA LEU 4 -9.052 -35.144 4.467 32 1HB LEU 4 1HB LEU 4 -8.943 -35.540 7.133 33 2HB LEU 4 2HB LEU 4 -7.775 -34.224 7.000 34 HG LEU 4 HG LEU 4 -9.691 -33.198 5.439 35 1HD1 LEU 4 1HD1 LEU 4 -11.293 -34.716 7.506 36 2HD1 LEU 4 2HD1 LEU 4 -11.068 -35.321 5.864 37 3HD1 LEU 4 3HD1 LEU 4 -11.893 -33.786 6.133 38 1HD2 LEU 4 1HD2 LEU 4 -8.721 -32.164 7.472 39 2HD2 LEU 4 2HD2 LEU 4 -9.767 -33.171 8.473 40 3HD2 LEU 4 3HD2 LEU 4 -10.471 -31.949 7.415 41 H VAL 5 H VAL 5 -7.744 -34.380 2.732 42 HA VAL 5 HA VAL 5 -5.117 -33.141 3.497 43 HB VAL 5 HB VAL 5 -6.093 -34.337 0.877 44 1HG1 VAL 5 1HG1 VAL 5 -3.535 -32.977 1.715 45 2HG1 VAL 5 2HG1 VAL 5 -4.503 -32.712 0.263 46 3HG1 VAL 5 3HG1 VAL 5 -3.533 -34.176 0.421 47 1HG2 VAL 5 1HG2 VAL 5 -5.646 -35.967 2.743 48 2HG2 VAL 5 2HG2 VAL 5 -3.995 -35.353 2.821 49 3HG2 VAL 5 3HG2 VAL 5 -4.566 -36.165 1.364 50 H ARG 6 H ARG 6 -6.049 -31.004 3.934 51 HA ARG 6 HA ARG 6 -7.276 -29.679 1.535 52 1HB ARG 6 1HB ARG 6 -7.681 -29.479 4.513 53 2HB ARG 6 2HB ARG 6 -8.123 -28.125 3.472 54 1HG ARG 6 1HG ARG 6 -9.611 -29.551 2.173 55 2HG ARG 6 2HG ARG 6 -9.100 -30.970 3.088 56 1HD ARG 6 1HD ARG 6 -9.884 -29.514 5.169 57 2HD ARG 6 2HD ARG 6 -10.884 -28.715 3.939 58 HE ARG 6 HE ARG 6 -10.994 -31.620 4.607 59 1HH1 ARG 6 1HH2 ARG 6 -11.560 -30.773 1.704 60 2HH1 ARG 6 2HH2 ARG 6 -13.289 -30.655 1.737 61 1HH2 ARG 6 1HH1 ARG 6 -13.487 -30.634 5.198 62 2HH2 ARG 6 2HH1 ARG 6 -14.379 -30.577 3.716 63 HA PRO 7 HA PRO 7 -3.717 -27.044 1.612 64 1HB PRO 7 1HB PRO 7 -4.705 -24.860 0.295 65 2HB PRO 7 2HB PRO 7 -4.287 -26.374 -0.530 66 1HG PRO 7 1HG PRO 7 -6.952 -25.337 0.287 67 2HG PRO 7 2HG PRO 7 -6.484 -26.230 -1.168 68 1HD PRO 7 1HD PRO 7 -7.749 -27.365 0.973 69 2HD PRO 7 2HD PRO 7 -6.697 -28.261 -0.146 70 HA PRO 8 HA PRO 8 -4.336 -24.332 5.046 71 1HB PRO 8 1HB PRO 8 -2.320 -22.515 4.704 72 2HB PRO 8 2HB PRO 8 -2.036 -24.181 5.250 73 1HG PRO 8 1HG PRO 8 -1.678 -22.990 2.548 74 2HG PRO 8 2HG PRO 8 -0.688 -24.189 3.394 75 1HD PRO 8 1HD PRO 8 -2.477 -24.818 1.429 76 2HD PRO 8 2HD PRO 8 -2.005 -25.935 2.727 77 H VAL 9 H VAL 9 -4.519 -21.772 5.501 78 HA VAL 9 HA VAL 9 -5.561 -20.337 3.104 79 HB VAL 9 HB VAL 9 -7.641 -19.826 4.379 80 1HG1 VAL 9 1HG1 VAL 9 -7.250 -22.817 4.330 81 2HG1 VAL 9 2HG1 VAL 9 -7.298 -21.878 2.839 82 3HG1 VAL 9 3HG1 VAL 9 -8.693 -21.891 3.918 83 1HG2 VAL 9 1HG2 VAL 9 -7.968 -20.467 6.547 84 2HG2 VAL 9 2HG2 VAL 9 -6.209 -20.569 6.594 85 3HG2 VAL 9 3HG2 VAL 9 -7.167 -22.021 6.312 86 H GLN 10 H GLN 10 -3.266 -19.369 3.902 87 HA GLN 10 HA GLN 10 -3.805 -17.294 6.007 88 1HB GLN 10 1HB GLN 10 -1.237 -18.558 4.988 89 2HB GLN 10 2HB GLN 10 -1.318 -17.316 6.238 90 1HG GLN 10 1HG GLN 10 -2.505 -18.756 7.728 91 2HG GLN 10 2HG GLN 10 -2.818 -19.932 6.451 92 1HE2 GLN 10 1HE2 GLN 10 -0.118 -18.502 8.385 93 2HE2 GLN 10 2HE2 GLN 10 0.904 -19.844 8.204 94 H ILE 11 H ILE 11 -1.742 -17.710 3.051 95 HA ILE 11 HA ILE 11 -2.541 -14.925 2.288 96 HB ILE 11 HB ILE 11 -0.274 -15.122 3.250 97 1HG1 ILE 11 1HG1 ILE 11 0.814 -14.379 0.834 98 2HG1 ILE 11 2HG1 ILE 11 -0.913 -14.179 0.528 99 1HG2 ILE 11 1HG2 ILE 11 0.355 -17.358 2.650 100 2HG2 ILE 11 2HG2 ILE 11 1.463 -16.282 1.801 101 3HG2 ILE 11 3HG2 ILE 11 0.123 -17.029 0.933 102 1HD1 ILE 11 1HD1 ILE 11 -0.534 -12.131 1.488 103 2HD1 ILE 11 2HD1 ILE 11 0.862 -12.700 2.403 104 3HD1 ILE 11 3HD1 ILE 11 -0.771 -13.049 2.976 105 H TYR 12 H TYR 12 -2.995 -14.618 0.055 106 HA TYR 12 HA TYR 12 -2.600 -16.889 -1.826 107 1HB TYR 12 1HB TYR 12 -5.281 -16.411 -2.194 108 2HB TYR 12 2HB TYR 12 -4.661 -17.692 -1.160 109 HD1 TYR 12 HD1 TYR 12 -4.479 -17.337 1.300 110 HD2 TYR 12 HD2 TYR 12 -6.382 -14.450 -1.247 111 HE1 TYR 12 HE1 TYR 12 -5.418 -16.230 3.285 112 HE2 TYR 12 HE2 TYR 12 -7.366 -13.354 0.749 113 HH TYR 12 HH TYR 12 -7.879 -14.480 3.412 114 H GLY 13 H GLY 13 -1.304 -15.189 -2.995 115 1HA GLY 13 1HA GLY 13 -2.003 -14.063 -5.205 116 2HA GLY 13 2HA GLY 13 -3.012 -13.048 -4.175 117 H ILE 14 H ILE 14 -0.038 -13.175 -5.707 118 HA ILE 14 HA ILE 14 1.911 -12.129 -3.987 119 HB ILE 14 HB ILE 14 2.265 -12.589 -6.383 120 1HG1 ILE 14 1HG1 ILE 14 3.647 -10.627 -6.949 121 2HG1 ILE 14 2HG1 ILE 14 2.818 -9.673 -5.722 122 1HG2 ILE 14 1HG2 ILE 14 1.272 -11.379 -8.110 123 2HG2 ILE 14 2HG2 ILE 14 0.968 -9.974 -7.089 124 3HG2 ILE 14 3HG2 ILE 14 -0.032 -11.416 -6.925 125 1HD1 ILE 14 1HD1 ILE 14 3.890 -12.183 -4.654 126 2HD1 ILE 14 2HD1 ILE 14 4.084 -10.533 -4.058 127 3HD1 ILE 14 3HD1 ILE 14 5.143 -11.141 -5.331 128 H GLU 15 H GLU 15 -0.931 -10.364 -5.266 129 HA GLU 15 HA GLU 15 -0.208 -7.697 -4.612 130 1HB GLU 15 1HB GLU 15 -2.702 -9.243 -4.980 131 2HB GLU 15 2HB GLU 15 -2.891 -7.841 -3.936 132 1HG GLU 15 1HG GLU 15 -3.152 -6.723 -5.907 133 2HG GLU 15 2HG GLU 15 -1.389 -6.758 -5.930 134 H GLY 16 H GLY 16 -1.302 -10.328 -2.434 135 1HA GLY 16 1HA GLY 16 -1.620 -8.626 -0.115 136 2HA GLY 16 2HA GLY 16 -1.424 -10.381 -0.084 137 H ARG 17 H ARG 17 1.114 -10.547 -1.433 138 HA ARG 17 HA ARG 17 2.955 -10.181 0.719 139 1HB ARG 17 1HB ARG 17 3.077 -11.506 -1.570 140 2HB ARG 17 2HB ARG 17 3.857 -10.033 -2.145 141 1HG ARG 17 1HG ARG 17 5.732 -11.098 -1.355 142 2HG ARG 17 2HG ARG 17 5.214 -10.350 0.156 143 1HD ARG 17 1HD ARG 17 3.735 -12.612 0.273 144 2HD ARG 17 2HD ARG 17 5.125 -13.211 -0.654 145 HE ARG 17 HE ARG 17 5.426 -11.765 1.954 146 1HH1 ARG 17 1HH2 ARG 17 5.445 -14.743 2.065 147 2HH1 ARG 17 2HH2 ARG 17 7.133 -15.110 1.928 148 1HH2 ARG 17 1HH1 ARG 17 7.989 -11.973 0.724 149 2HH2 ARG 17 2HH1 ARG 17 8.573 -13.542 1.169 150 H TYR 18 H TYR 18 1.954 -7.883 -1.832 151 HA TYR 18 HA TYR 18 4.058 -5.978 -1.667 152 1HB TYR 18 1HB TYR 18 1.173 -5.976 -2.361 153 2HB TYR 18 2HB TYR 18 1.796 -4.409 -1.872 154 HD1 TYR 18 HD1 TYR 18 3.347 -7.245 -3.788 155 HD2 TYR 18 HD2 TYR 18 2.142 -3.123 -3.762 156 HE1 TYR 18 HE1 TYR 18 4.332 -6.942 -6.044 157 HE2 TYR 18 HE2 TYR 18 3.127 -2.814 -6.011 158 HH TYR 18 HH TYR 18 3.635 -4.731 -8.073 159 H ALA 19 H ALA 19 1.146 -6.294 0.418 160 HA ALA 19 HA ALA 19 1.963 -4.066 2.149 161 1HB ALA 19 1HB ALA 19 -0.371 -5.459 1.711 162 2HB ALA 19 2HB ALA 19 -0.095 -4.391 3.088 163 3HB ALA 19 3HB ALA 19 0.154 -6.128 3.257 164 H THR 20 H THR 20 2.362 -7.631 2.207 165 HA THR 20 HA THR 20 3.467 -7.693 4.889 166 HB THR 20 HB THR 20 4.302 -9.786 2.968 167 HG1 THR 20 HG1 THR 20 2.192 -10.528 2.701 168 1HG2 THR 20 1HG2 THR 20 4.564 -10.209 5.303 169 2HG2 THR 20 2HG2 THR 20 3.166 -11.161 4.805 170 3HG2 THR 20 3HG2 THR 20 2.935 -9.633 5.659 171 H ALA 21 H ALA 21 4.919 -7.207 1.652 172 HA ALA 21 HA ALA 21 7.651 -7.426 2.723 173 1HB ALA 21 1HB ALA 21 7.159 -5.922 0.207 174 2HB ALA 21 2HB ALA 21 6.545 -7.575 0.230 175 3HB ALA 21 3HB ALA 21 8.259 -7.268 0.510 176 H LEU 22 H LEU 22 5.245 -4.962 2.942 177 HA LEU 22 HA LEU 22 7.328 -2.826 3.225 178 1HB LEU 22 1HB LEU 22 5.355 -2.386 1.766 179 2HB LEU 22 2HB LEU 22 4.289 -2.708 3.133 180 HG LEU 22 HG LEU 22 6.173 -0.810 4.069 181 1HD1 LEU 22 1HD1 LEU 22 5.308 -0.334 1.230 182 2HD1 LEU 22 2HD1 LEU 22 6.878 -0.038 1.981 183 3HD1 LEU 22 3HD1 LEU 22 5.519 1.034 2.323 184 1HD2 LEU 22 1HD2 LEU 22 3.260 -0.847 3.363 185 2HD2 LEU 22 2HD2 LEU 22 4.012 0.698 3.763 186 3HD2 LEU 22 3HD2 LEU 22 4.027 -0.620 4.935 187 H TYR 23 H TYR 23 4.518 -4.296 4.939 188 HA TYR 23 HA TYR 23 5.168 -2.915 7.400 189 1HB TYR 23 1HB TYR 23 3.100 -3.653 7.910 190 2HB TYR 23 2HB TYR 23 3.053 -4.503 6.380 191 HD1 TYR 23 HD1 TYR 23 4.351 -4.891 9.865 192 HD2 TYR 23 HD2 TYR 23 2.779 -6.781 6.361 193 HE1 TYR 23 HE1 TYR 23 4.347 -7.053 11.046 194 HE2 TYR 23 HE2 TYR 23 2.795 -8.947 7.508 195 HH TYR 23 HH TYR 23 4.296 -9.899 9.661 196 H SER 24 H SER 24 6.573 -5.730 5.792 197 HA SER 24 HA SER 24 7.503 -7.309 7.948 198 1HB SER 24 1HB SER 24 9.525 -7.684 6.459 199 2HB SER 24 2HB SER 24 7.983 -7.875 5.629 200 HG SER 24 HG SER 24 9.166 -6.551 4.348 201 H ALA 25 H ALA 25 8.678 -4.121 6.836 202 HA ALA 25 HA ALA 25 10.825 -4.023 8.864 203 1HB ALA 25 1HB ALA 25 9.719 -2.263 6.709 204 2HB ALA 25 2HB ALA 25 11.398 -2.625 7.101 205 3HB ALA 25 3HB ALA 25 10.501 -1.449 8.061 206 H ALA 26 H ALA 26 7.485 -2.745 8.406 207 HA ALA 26 HA ALA 26 7.341 -1.159 10.796 208 1HB ALA 26 1HB ALA 26 4.986 -2.768 9.829 209 2HB ALA 26 2HB ALA 26 5.678 -1.553 8.757 210 3HB ALA 26 3HB ALA 26 5.046 -1.079 10.331 211 H SER 27 H SER 27 6.902 -4.690 10.281 212 HA SER 27 HA SER 27 5.791 -5.371 12.819 213 1HB SER 27 1HB SER 27 6.350 -7.566 12.225 214 2HB SER 27 2HB SER 27 6.422 -6.778 10.652 215 HG SER 27 HG SER 27 8.290 -8.128 11.400 216 H LYS 28 H LYS 28 9.227 -4.893 11.863 217 HA LYS 28 HA LYS 28 10.373 -5.606 14.424 218 1HB LYS 28 1HB LYS 28 11.391 -5.037 12.000 219 2HB LYS 28 2HB LYS 28 11.602 -3.451 12.743 220 1HG LYS 28 1HG LYS 28 13.163 -4.208 14.249 221 2HG LYS 28 2HG LYS 28 12.432 -5.810 14.360 222 1HD LYS 28 1HD LYS 28 13.842 -4.861 11.861 223 2HD LYS 28 2HD LYS 28 14.700 -5.676 13.169 224 1HE LYS 28 1HE LYS 28 12.192 -6.965 12.166 225 2HE LYS 28 2HE LYS 28 13.644 -7.076 11.151 226 1HZ LYS 28 1HZ LYS 28 14.893 -7.911 12.993 227 2HZ LYS 28 2HZ LYS 28 13.492 -8.860 12.850 228 3HZ LYS 28 3HZ LYS 28 13.598 -7.673 14.061 229 H GLN 29 H GLN 29 9.169 -2.492 13.089 230 HA GLN 29 HA GLN 29 9.819 -1.041 15.577 231 1HB GLN 29 1HB GLN 29 8.289 -0.313 13.060 232 2HB GLN 29 2HB GLN 29 8.630 0.825 14.364 233 1HG GLN 29 1HG GLN 29 11.068 0.354 14.079 234 2HG GLN 29 2HG GLN 29 10.676 -0.664 12.694 235 1HE2 GLN 29 1HE2 GLN 29 9.259 0.552 10.930 236 2HE2 GLN 29 2HE2 GLN 29 9.675 2.172 10.644 237 H ASN 30 H ASN 30 7.143 -3.022 14.540 238 HA ASN 30 HA ASN 30 5.155 -3.567 15.644 239 1HB ASN 30 1HB ASN 30 6.777 -2.816 17.663 240 2HB ASN 30 2HB ASN 30 5.593 -1.512 17.768 241 1HD2 ASN 30 1HD2 ASN 30 5.907 -5.098 17.882 242 2HD2 ASN 30 2HD2 ASN 30 4.436 -5.344 18.693 243 H LYS 31 H LYS 31 5.238 -1.625 13.538 244 HA LYS 31 HA LYS 31 3.200 0.370 14.454 245 1HB LYS 31 1HB LYS 31 5.363 0.306 12.375 246 2HB LYS 31 2HB LYS 31 3.978 1.371 12.137 247 1HG LYS 31 1HG LYS 31 4.385 2.320 14.422 248 2HG LYS 31 2HG LYS 31 5.853 1.347 14.519 249 1HD LYS 31 1HD LYS 31 6.797 2.480 12.590 250 2HD LYS 31 2HD LYS 31 5.293 3.359 12.323 251 1HE LYS 31 1HE LYS 31 5.662 4.805 14.099 252 2HE LYS 31 2HE LYS 31 6.607 3.608 15.008 253 1HZ LYS 31 1HZ LYS 31 8.391 3.807 13.444 254 2HZ LYS 31 2HZ LYS 31 7.994 5.369 13.983 255 3HZ LYS 31 3HZ LYS 31 7.485 4.840 12.451 256 H LEU 32 H LEU 32 2.837 -2.626 13.410 257 HA LEU 32 HA LEU 32 1.658 -2.662 10.837 258 1HB LEU 32 1HB LEU 32 1.266 -4.148 13.403 259 2HB LEU 32 2HB LEU 32 0.078 -4.397 12.123 260 HG LEU 32 HG LEU 32 2.808 -4.423 11.074 261 1HD1 LEU 32 1HD1 LEU 32 2.577 -6.948 12.424 262 2HD1 LEU 32 2HD1 LEU 32 2.532 -5.646 13.613 263 3HD1 LEU 32 3HD1 LEU 32 3.882 -5.764 12.485 264 1HD2 LEU 32 1HD2 LEU 32 1.603 -6.926 10.704 265 2HD2 LEU 32 2HD2 LEU 32 1.559 -5.566 9.584 266 3HD2 LEU 32 3HD2 LEU 32 0.249 -5.795 10.745 267 H GLU 33 H GLU 33 0.261 -1.456 13.914 268 HA GLU 33 HA GLU 33 -2.432 -1.070 12.882 269 1HB GLU 33 1HB GLU 33 -1.824 -1.056 15.307 270 2HB GLU 33 2HB GLU 33 -0.921 0.439 15.057 271 1HG GLU 33 1HG GLU 33 -3.046 1.495 14.213 272 2HG GLU 33 2HG GLU 33 -3.902 0.031 14.701 273 H GLN 34 H GLN 34 0.474 1.040 13.065 274 HA GLN 34 HA GLN 34 -0.688 3.398 11.899 275 1HB GLN 34 1HB GLN 34 2.127 2.275 11.835 276 2HB GLN 34 2HB GLN 34 1.711 3.902 11.297 277 1HG GLN 34 1HG GLN 34 0.515 3.622 13.841 278 2HG GLN 34 2HG GLN 34 2.125 2.922 13.997 279 1HE2 GLN 34 1HE2 GLN 34 0.577 5.880 12.546 280 2HE2 GLN 34 2HE2 GLN 34 1.852 6.914 12.979 281 H VAL 35 H VAL 35 0.289 0.345 10.389 282 HA VAL 35 HA VAL 35 0.058 1.618 7.699 283 HB VAL 35 HB VAL 35 0.840 -1.257 8.044 284 1HG1 VAL 35 1HG1 VAL 35 2.648 -0.235 6.390 285 2HG1 VAL 35 2HG1 VAL 35 1.452 1.053 6.253 286 3HG1 VAL 35 3HG1 VAL 35 1.014 -0.604 5.839 287 1HG2 VAL 35 1HG2 VAL 35 2.436 1.041 9.152 288 2HG2 VAL 35 2HG2 VAL 35 3.299 -0.263 8.336 289 3HG2 VAL 35 3HG2 VAL 35 2.307 -0.614 9.750 290 H GLU 36 H GLU 36 -1.207 -1.194 9.572 291 HA GLU 36 HA GLU 36 -3.008 -2.175 7.580 292 1HB GLU 36 1HB GLU 36 -2.280 -3.122 9.907 293 2HB GLU 36 2HB GLU 36 -3.649 -2.200 10.526 294 1HG GLU 36 1HG GLU 36 -5.118 -3.349 8.857 295 2HG GLU 36 2HG GLU 36 -3.741 -4.349 8.389 296 H LYS 37 H LYS 37 -3.423 0.500 9.934 297 HA LYS 37 HA LYS 37 -6.289 0.768 9.287 298 1HB LYS 37 1HB LYS 37 -5.315 1.259 11.538 299 2HB LYS 37 2HB LYS 37 -4.425 2.608 10.830 300 1HG LYS 37 1HG LYS 37 -6.292 3.758 11.531 301 2HG LYS 37 2HG LYS 37 -6.876 3.244 9.948 302 1HD LYS 37 1HD LYS 37 -7.741 1.134 11.141 303 2HD LYS 37 2HD LYS 37 -7.470 2.018 12.643 304 1HE LYS 37 1HE LYS 37 -9.086 3.663 12.110 305 2HE LYS 37 2HE LYS 37 -9.079 3.233 10.388 306 1HZ LYS 37 1HZ LYS 37 -10.990 2.255 11.507 307 2HZ LYS 37 2HZ LYS 37 -9.967 1.472 12.614 308 3HZ LYS 37 3HZ LYS 37 -9.932 1.043 10.971 309 H GLU 38 H GLU 38 -3.302 2.682 8.556 310 HA GLU 38 HA GLU 38 -4.763 4.682 7.029 311 1HB GLU 38 1HB GLU 38 -1.898 3.818 7.319 312 2HB GLU 38 2HB GLU 38 -2.337 4.925 6.020 313 1HG GLU 38 1HG GLU 38 -1.701 6.233 7.970 314 2HG GLU 38 2HG GLU 38 -3.433 6.410 7.698 315 H LEU 39 H LEU 39 -3.274 1.535 6.180 316 HA LEU 39 HA LEU 39 -3.387 1.692 3.340 317 1HB LEU 39 1HB LEU 39 -3.380 -0.427 5.405 318 2HB LEU 39 2HB LEU 39 -4.160 -0.909 3.903 319 HG LEU 39 HG LEU 39 -1.434 0.399 3.992 320 1HD1 LEU 39 1HD1 LEU 39 -1.752 -1.936 5.157 321 2HD1 LEU 39 2HD1 LEU 39 -0.414 -1.705 4.030 322 3HD1 LEU 39 3HD1 LEU 39 -1.879 -2.534 3.502 323 1HD2 LEU 39 1HD2 LEU 39 -1.570 -1.101 1.723 324 2HD2 LEU 39 2HD2 LEU 39 -2.032 0.600 1.790 325 3HD2 LEU 39 3HD2 LEU 39 -3.266 -0.655 1.907 326 H LEU 40 H LEU 40 -6.017 1.026 5.700 327 HA LEU 40 HA LEU 40 -8.055 0.212 3.872 328 1HB LEU 40 1HB LEU 40 -8.022 1.676 6.508 329 2HB LEU 40 2HB LEU 40 -9.551 1.429 5.662 330 HG LEU 40 HG LEU 40 -7.677 -0.887 6.070 331 1HD1 LEU 40 1HD1 LEU 40 -9.266 -1.298 8.134 332 2HD1 LEU 40 2HD1 LEU 40 -9.428 0.458 8.104 333 3HD1 LEU 40 3HD1 LEU 40 -7.838 -0.278 8.313 334 1HD2 LEU 40 1HD2 LEU 40 -9.864 -0.792 4.623 335 2HD2 LEU 40 2HD2 LEU 40 -10.685 -0.888 6.181 336 3HD2 LEU 40 3HD2 LEU 40 -9.594 -2.179 5.678 337 H ARG 41 H ARG 41 -6.886 3.510 4.662 338 HA ARG 41 HA ARG 41 -8.966 5.008 3.394 339 1HB ARG 41 1HB ARG 41 -6.001 5.496 3.793 340 2HB ARG 41 2HB ARG 41 -7.057 6.713 3.076 341 1HG ARG 41 1HG ARG 41 -7.971 5.454 5.619 342 2HG ARG 41 2HG ARG 41 -6.627 6.593 5.721 343 1HD ARG 41 1HD ARG 41 -7.956 8.327 4.617 344 2HD ARG 41 2HD ARG 41 -9.296 7.185 4.391 345 HE ARG 41 HE ARG 41 -8.367 8.239 7.019 346 1HH1 ARG 41 1HH1 ARG 41 -9.331 5.439 7.284 347 2HH1 ARG 41 2HH1 ARG 41 -11.027 5.649 7.563 348 1HH2 ARG 41 1HH2 ARG 41 -11.076 8.927 6.431 349 2HH2 ARG 41 2HH2 ARG 41 -12.016 7.624 7.081 350 H VAL 42 H VAL 42 -6.008 3.525 1.985 351 HA VAL 42 HA VAL 42 -6.418 4.612 -0.680 352 HB VAL 42 HB VAL 42 -4.981 2.097 0.256 353 1HG1 VAL 42 1HG1 VAL 42 -5.186 3.502 -2.376 354 2HG1 VAL 42 2HG1 VAL 42 -5.042 1.777 -2.035 355 3HG1 VAL 42 3HG1 VAL 42 -3.624 2.820 -1.924 356 1HG2 VAL 42 1HG2 VAL 42 -3.533 4.581 -0.511 357 2HG2 VAL 42 2HG2 VAL 42 -3.163 3.409 0.754 358 3HG2 VAL 42 3HG2 VAL 42 -4.410 4.628 1.018 359 H GLY 43 H GLY 43 -7.462 1.556 0.907 360 1HA GLY 43 1HA GLY 43 -8.658 0.431 -1.460 361 2HA GLY 43 2HA GLY 43 -9.012 -0.057 0.199 362 H GLN 44 H GLN 44 -9.967 2.386 1.265 363 HA GLN 44 HA GLN 44 -12.710 2.400 0.399 364 1HB GLN 44 1HB GLN 44 -11.512 3.312 2.570 365 2HB GLN 44 2HB GLN 44 -11.398 4.812 1.648 366 1HG GLN 44 1HG GLN 44 -13.719 5.078 1.540 367 2HG GLN 44 2HG GLN 44 -14.026 3.363 1.816 368 1HE2 GLN 44 1HE2 GLN 44 -14.851 5.967 3.382 369 2HE2 GLN 44 2HE2 GLN 44 -14.434 5.587 4.982 370 H ILE 45 H ILE 45 -9.924 4.448 -0.563 371 HA ILE 45 HA ILE 45 -11.417 6.338 -2.164 372 HB ILE 45 HB ILE 45 -8.559 5.287 -2.293 373 1HG1 ILE 45 1HG1 ILE 45 -9.399 8.024 -1.382 374 2HG1 ILE 45 2HG1 ILE 45 -9.587 6.656 -0.287 375 1HG2 ILE 45 1HG2 ILE 45 -8.606 6.250 -4.380 376 2HG2 ILE 45 2HG2 ILE 45 -8.391 7.729 -3.446 377 3HG2 ILE 45 3HG2 ILE 45 -9.998 7.261 -3.998 378 1HD1 ILE 45 1HD1 ILE 45 -7.409 6.875 0.248 379 2HD1 ILE 45 2HD1 ILE 45 -7.178 8.090 -1.008 380 3HD1 ILE 45 3HD1 ILE 45 -7.006 6.379 -1.396 381 H LEU 46 H LEU 46 -9.484 3.473 -3.216 382 HA LEU 46 HA LEU 46 -10.369 3.464 -5.927 383 1HB LEU 46 1HB LEU 46 -8.590 2.030 -4.564 384 2HB LEU 46 2HB LEU 46 -9.920 0.880 -4.458 385 HG LEU 46 HG LEU 46 -8.538 0.393 -6.414 386 1HD1 LEU 46 1HD1 LEU 46 -11.017 1.655 -7.549 387 2HD1 LEU 46 2HD1 LEU 46 -11.154 0.300 -6.429 388 3HD1 LEU 46 3HD1 LEU 46 -10.279 0.103 -7.947 389 1HD2 LEU 46 1HD2 LEU 46 -9.341 3.057 -7.578 390 2HD2 LEU 46 2HD2 LEU 46 -8.065 1.964 -8.115 391 3HD2 LEU 46 3HD2 LEU 46 -7.866 2.889 -6.627 392 H LYS 47 H LYS 47 -11.951 2.098 -3.024 393 HA LYS 47 HA LYS 47 -13.967 0.565 -4.394 394 1HB LYS 47 1HB LYS 47 -13.640 1.801 -1.669 395 2HB LYS 47 2HB LYS 47 -15.220 1.162 -2.126 396 1HG LYS 47 1HG LYS 47 -14.060 -0.994 -2.765 397 2HG LYS 47 2HG LYS 47 -12.593 -0.341 -2.036 398 1HD LYS 47 1HD LYS 47 -14.301 0.122 -0.013 399 2HD LYS 47 2HD LYS 47 -15.102 -1.275 -0.733 400 1HE LYS 47 1HE LYS 47 -13.107 -2.629 -0.507 401 2HE LYS 47 2HE LYS 47 -12.154 -1.218 0.001 402 1HZ LYS 47 1HZ LYS 47 -13.755 -0.928 1.848 403 2HZ LYS 47 2HZ LYS 47 -12.876 -2.378 1.953 404 3HZ LYS 47 3HZ LYS 47 -14.488 -2.394 1.415 405 H GLU 48 H GLU 48 -13.713 4.032 -3.534 406 HA GLU 48 HA GLU 48 -16.464 4.620 -4.179 407 1HB GLU 48 1HB GLU 48 -13.954 6.297 -3.949 408 2HB GLU 48 2HB GLU 48 -15.531 7.010 -4.291 409 1HG GLU 48 1HG GLU 48 -16.412 5.909 -2.214 410 2HG GLU 48 2HG GLU 48 -14.768 5.388 -1.847 411 HA PRO 49 HA PRO 49 -16.060 4.495 -8.592 412 1HB PRO 49 1HB PRO 49 -18.224 6.009 -9.306 413 2HB PRO 49 2HB PRO 49 -18.365 4.343 -8.713 414 1HG PRO 49 1HG PRO 49 -18.788 6.909 -7.266 415 2HG PRO 49 2HG PRO 49 -19.697 5.393 -7.164 416 1HD PRO 49 1HD PRO 49 -17.860 6.162 -5.309 417 2HD PRO 49 2HD PRO 49 -18.228 4.462 -5.672 418 H LYS 50 H LYS 50 -16.737 7.699 -7.090 419 HA LYS 50 HA LYS 50 -15.851 9.362 -9.237 420 1HB LYS 50 1HB LYS 50 -15.726 9.689 -6.222 421 2HB LYS 50 2HB LYS 50 -15.337 10.993 -7.345 422 1HG LYS 50 1HG LYS 50 -17.606 10.676 -8.388 423 2HG LYS 50 2HG LYS 50 -17.982 9.536 -7.096 424 1HD LYS 50 1HD LYS 50 -18.834 11.544 -6.244 425 2HD LYS 50 2HD LYS 50 -17.231 11.478 -5.511 426 1HE LYS 50 1HE LYS 50 -17.320 13.676 -6.377 427 2HE LYS 50 2HE LYS 50 -16.485 12.790 -7.669 428 1HZ LYS 50 1HZ LYS 50 -19.405 13.322 -7.503 429 2HZ LYS 50 2HZ LYS 50 -18.658 12.364 -8.692 430 3HZ LYS 50 3HZ LYS 50 -18.321 14.027 -8.601 431 H MET 51 H MET 51 -13.938 7.593 -6.781 432 HA MET 51 HA MET 51 -11.416 8.879 -7.651 433 1HB MET 51 1HB MET 51 -11.946 6.532 -5.811 434 2HB MET 51 2HB MET 51 -10.429 7.409 -5.942 435 1HG MET 51 1HG MET 51 -13.069 8.621 -5.079 436 2HG MET 51 2HG MET 51 -11.771 8.149 -3.986 437 1HE MET 51 1HE MET 51 -8.860 10.467 -4.843 438 2HE MET 51 2HE MET 51 -9.190 8.801 -5.313 439 3HE MET 51 3HE MET 51 -9.559 9.337 -3.676 440 H ALA 52 H ALA 52 -13.043 5.698 -8.036 441 HA ALA 52 HA ALA 52 -10.931 4.236 -9.254 442 1HB ALA 52 1HB ALA 52 -12.814 2.931 -8.887 443 2HB ALA 52 2HB ALA 52 -13.071 3.283 -10.595 444 3HB ALA 52 3HB ALA 52 -13.922 4.217 -9.364 445 H ALA 53 H ALA 53 -13.228 6.552 -10.750 446 HA ALA 53 HA ALA 53 -12.420 6.186 -13.478 447 1HB ALA 53 1HB ALA 53 -14.334 7.604 -12.346 448 2HB ALA 53 2HB ALA 53 -13.649 8.142 -13.879 449 3HB ALA 53 3HB ALA 53 -13.131 8.894 -12.369 450 H SER 54 H SER 54 -10.756 7.868 -10.817 451 HA SER 54 HA SER 54 -8.835 9.069 -12.773 452 1HB SER 54 1HB SER 54 -9.274 9.483 -9.793 453 2HB SER 54 2HB SER 54 -8.124 10.384 -10.778 454 HG SER 54 HG SER 54 -9.817 11.239 -11.935 455 H LEU 55 H LEU 55 -8.840 7.043 -9.773 456 HA LEU 55 HA LEU 55 -6.022 6.598 -9.650 457 1HB LEU 55 1HB LEU 55 -8.476 5.146 -8.732 458 2HB LEU 55 2HB LEU 55 -6.934 4.293 -8.645 459 HG LEU 55 HG LEU 55 -6.183 6.672 -7.607 460 1HD1 LEU 55 1HD1 LEU 55 -8.059 7.297 -5.994 461 2HD1 LEU 55 2HD1 LEU 55 -9.129 6.334 -7.013 462 3HD1 LEU 55 3HD1 LEU 55 -8.316 7.750 -7.679 463 1HD2 LEU 55 1HD2 LEU 55 -6.321 4.151 -6.699 464 2HD2 LEU 55 2HD2 LEU 55 -7.606 4.852 -5.717 465 3HD2 LEU 55 3HD2 LEU 55 -5.971 5.508 -5.627 466 H LEU 56 H LEU 56 -8.498 4.985 -11.678 467 HA LEU 56 HA LEU 56 -6.290 3.391 -12.937 468 1HB LEU 56 1HB LEU 56 -8.103 2.148 -11.756 469 2HB LEU 56 2HB LEU 56 -9.285 2.900 -12.823 470 HG LEU 56 HG LEU 56 -7.126 1.713 -14.372 471 1HD1 LEU 56 1HD1 LEU 56 -6.840 0.109 -12.614 472 2HD1 LEU 56 2HD1 LEU 56 -7.823 -0.675 -13.850 473 3HD1 LEU 56 3HD1 LEU 56 -8.583 -0.048 -12.387 474 1HD2 LEU 56 1HD2 LEU 56 -8.874 1.098 -15.736 475 2HD2 LEU 56 2HD2 LEU 56 -9.724 2.315 -14.783 476 3HD2 LEU 56 3HD2 LEU 56 -9.893 0.604 -14.383 477 H ASN 57 H ASN 57 -6.903 6.204 -13.698 478 HA ASN 57 HA ASN 57 -8.406 5.916 -16.242 479 1HB ASN 57 1HB ASN 57 -8.254 7.883 -14.339 480 2HB ASN 57 2HB ASN 57 -7.122 8.486 -15.547 481 1HD2 ASN 57 1HD2 ASN 57 -8.445 10.146 -16.517 482 2HD2 ASN 57 2HD2 ASN 57 -9.921 9.807 -17.284 483 HA PRO 58 HA PRO 58 -4.388 5.617 -18.247 484 1HB PRO 58 1HB PRO 58 -5.301 5.004 -20.743 485 2HB PRO 58 2HB PRO 58 -5.194 3.810 -19.435 486 1HG PRO 58 1HG PRO 58 -7.558 5.175 -20.552 487 2HG PRO 58 2HG PRO 58 -7.420 3.582 -19.797 488 1HD PRO 58 1HD PRO 58 -8.418 5.908 -18.596 489 2HD PRO 58 2HD PRO 58 -7.975 4.402 -17.770 490 H TYR 59 H TYR 59 -6.564 8.136 -18.399 491 HA TYR 59 HA TYR 59 -5.540 9.413 -20.859 492 1HB TYR 59 1HB TYR 59 -7.629 10.058 -18.760 493 2HB TYR 59 2HB TYR 59 -7.234 11.171 -20.077 494 HD1 TYR 59 HD1 TYR 59 -8.007 10.776 -22.312 495 HD2 TYR 59 HD2 TYR 59 -8.488 7.759 -19.289 496 HE1 TYR 59 HE1 TYR 59 -9.471 9.478 -23.836 497 HE2 TYR 59 HE2 TYR 59 -9.946 6.464 -20.813 498 HH TYR 59 HH TYR 59 -10.068 6.535 -23.745 499 H VAL 60 H VAL 60 -5.042 9.565 -17.332 500 HA VAL 60 HA VAL 60 -3.538 12.127 -17.657 501 HB VAL 60 HB VAL 60 -3.618 12.208 -15.204 502 1HG1 VAL 60 1HG1 VAL 60 -5.579 12.997 -16.473 503 2HG1 VAL 60 2HG1 VAL 60 -6.061 12.310 -14.921 504 3HG1 VAL 60 3HG1 VAL 60 -6.276 11.378 -16.404 505 1HG2 VAL 60 1HG2 VAL 60 -5.224 9.655 -15.178 506 2HG2 VAL 60 2HG2 VAL 60 -4.412 10.463 -13.840 507 3HG2 VAL 60 3HG2 VAL 60 -3.467 9.597 -15.048 508 H LYS 61 H LYS 61 -2.330 9.721 -18.803 509 HA LYS 61 HA LYS 61 -0.297 8.529 -18.773 510 1HB LYS 61 1HB LYS 61 0.371 10.990 -17.131 511 2HB LYS 61 2HB LYS 61 1.563 9.926 -17.876 512 1HG LYS 61 1HG LYS 61 0.304 10.374 -20.086 513 2HG LYS 61 2HG LYS 61 -0.450 11.719 -19.230 514 1HD LYS 61 1HD LYS 61 2.000 12.348 -18.572 515 2HD LYS 61 2HD LYS 61 2.447 11.318 -19.933 516 1HE LYS 61 1HE LYS 61 1.656 12.810 -21.484 517 2HE LYS 61 2HE LYS 61 0.273 13.274 -20.472 518 1HZ LYS 61 1HZ LYS 61 1.855 14.401 -18.974 519 2HZ LYS 61 2HZ LYS 61 1.832 15.086 -20.529 520 3HZ LYS 61 3HZ LYS 61 3.109 14.066 -20.065 521 H ARG 62 H ARG 62 1.640 7.944 -16.995 522 HA ARG 62 HA ARG 62 0.156 6.763 -14.672 523 1HB ARG 62 1HB ARG 62 1.740 5.617 -16.595 524 2HB ARG 62 2HB ARG 62 2.914 5.891 -15.308 525 1HG ARG 62 1HG ARG 62 0.239 4.582 -14.794 526 2HG ARG 62 2HG ARG 62 1.672 3.654 -15.239 527 1HD ARG 62 1HD ARG 62 1.859 5.631 -12.977 528 2HD ARG 62 2HD ARG 62 1.149 4.031 -12.687 529 HE ARG 62 HE ARG 62 3.281 3.089 -13.710 530 1HH1 ARG 62 1HH2 ARG 62 3.225 5.341 -11.278 531 2HH1 ARG 62 2HH2 ARG 62 4.877 5.840 -11.434 532 1HH2 ARG 62 1HH1 ARG 62 5.391 4.126 -14.405 533 2HH2 ARG 62 2HH1 ARG 62 6.102 5.152 -13.204 534 H SER 63 H SER 63 3.380 8.219 -15.454 535 HA SER 63 HA SER 63 4.239 8.584 -12.745 536 1HB SER 63 1HB SER 63 5.911 8.939 -14.341 537 2HB SER 63 2HB SER 63 4.847 9.865 -15.396 538 HG SER 63 HG SER 63 6.333 11.218 -14.334 539 H VAL 64 H VAL 64 2.265 10.715 -14.861 540 HA VAL 64 HA VAL 64 2.129 12.960 -13.056 541 HB VAL 64 HB VAL 64 0.121 11.930 -15.103 542 1HG1 VAL 64 1HG1 VAL 64 -0.748 13.621 -13.416 543 2HG1 VAL 64 2HG1 VAL 64 -0.831 14.139 -15.100 544 3HG1 VAL 64 3HG1 VAL 64 0.447 14.753 -14.049 545 1HG2 VAL 64 1HG2 VAL 64 2.691 12.711 -15.574 546 2HG2 VAL 64 2HG2 VAL 64 1.865 14.265 -15.667 547 3HG2 VAL 64 3HG2 VAL 64 1.377 12.942 -16.727 548 H LYS 65 H LYS 65 0.073 10.024 -13.366 549 HA LYS 65 HA LYS 65 -1.914 10.743 -11.426 550 1HB LYS 65 1HB LYS 65 -2.015 8.793 -12.991 551 2HB LYS 65 2HB LYS 65 -0.767 7.992 -12.036 552 1HG LYS 65 1HG LYS 65 -2.822 7.116 -11.219 553 2HG LYS 65 2HG LYS 65 -2.328 8.314 -10.023 554 1HD LYS 65 1HD LYS 65 -3.740 9.947 -11.566 555 2HD LYS 65 2HD LYS 65 -4.541 8.446 -12.034 556 1HE LYS 65 1HE LYS 65 -5.827 9.064 -10.180 557 2HE LYS 65 2HE LYS 65 -4.595 8.057 -9.394 558 1HZ LYS 65 1HZ LYS 65 -3.239 10.063 -9.096 559 2HZ LYS 65 2HZ LYS 65 -4.726 10.183 -8.283 560 3HZ LYS 65 3HZ LYS 65 -4.487 11.006 -9.750 561 H VAL 66 H VAL 66 1.320 9.238 -10.994 562 HA VAL 66 HA VAL 66 1.080 8.585 -8.212 563 HB VAL 66 HB VAL 66 3.509 9.522 -9.792 564 1HG1 VAL 66 1HG1 VAL 66 4.853 8.472 -8.095 565 2HG1 VAL 66 2HG1 VAL 66 3.429 7.802 -7.299 566 3HG1 VAL 66 3HG1 VAL 66 3.724 9.540 -7.261 567 1HG2 VAL 66 1HG2 VAL 66 2.058 6.917 -9.513 568 2HG2 VAL 66 2HG2 VAL 66 3.815 6.877 -9.648 569 3HG2 VAL 66 3HG2 VAL 66 2.849 7.610 -10.928 570 H LYS 67 H LYS 67 2.018 11.673 -9.798 571 HA LYS 67 HA LYS 67 2.751 13.113 -7.427 572 1HB LYS 67 1HB LYS 67 3.054 13.840 -9.832 573 2HB LYS 67 2HB LYS 67 1.330 14.209 -9.882 574 1HG LYS 67 1HG LYS 67 1.543 15.912 -8.228 575 2HG LYS 67 2HG LYS 67 3.167 15.384 -7.789 576 1HD LYS 67 1HD LYS 67 4.111 16.229 -9.778 577 2HD LYS 67 2HD LYS 67 2.546 16.319 -10.586 578 1HE LYS 67 1HE LYS 67 2.876 17.937 -8.094 579 2HE LYS 67 2HE LYS 67 3.697 18.511 -9.560 580 1HZ LYS 67 1HZ LYS 67 1.329 19.255 -9.326 581 2HZ LYS 67 2HZ LYS 67 0.863 17.633 -9.520 582 3HZ LYS 67 3HZ LYS 67 1.679 18.442 -10.772 583 H SER 68 H SER 68 -0.469 12.618 -8.949 584 HA SER 68 HA SER 68 -1.970 14.368 -7.241 585 1HB SER 68 1HB SER 68 -2.545 11.936 -8.898 586 2HB SER 68 2HB SER 68 -3.790 12.483 -7.778 587 HG SER 68 HG SER 68 -4.079 13.540 -9.721 588 H LEU 69 H LEU 69 -1.012 10.931 -6.790 589 HA LEU 69 HA LEU 69 -2.495 10.463 -4.370 590 1HB LEU 69 1HB LEU 69 0.043 9.330 -5.561 591 2HB LEU 69 2HB LEU 69 -0.545 8.768 -3.996 592 HG LEU 69 HG LEU 69 -2.519 8.907 -6.228 593 1HD1 LEU 69 1HD1 LEU 69 -0.393 6.756 -5.980 594 2HD1 LEU 69 2HD1 LEU 69 -0.575 7.884 -7.323 595 3HD1 LEU 69 3HD1 LEU 69 -1.811 6.662 -7.023 596 1HD2 LEU 69 1HD2 LEU 69 -3.180 8.200 -3.965 597 2HD2 LEU 69 2HD2 LEU 69 -1.950 6.936 -3.989 598 3HD2 LEU 69 3HD2 LEU 69 -3.323 6.851 -5.092 599 H SER 70 H SER 70 0.864 11.684 -4.845 600 HA SER 70 HA SER 70 1.543 11.951 -2.070 601 1HB SER 70 1HB SER 70 3.184 12.168 -3.888 602 2HB SER 70 2HB SER 70 2.367 13.609 -4.486 603 HG SER 70 HG SER 70 3.031 14.720 -2.726 604 H ASP 71 H ASP 71 -0.120 14.241 -4.291 605 HA ASP 71 HA ASP 71 -0.308 16.405 -2.374 606 1HB ASP 71 1HB ASP 71 -0.777 16.185 -5.010 607 2HB ASP 71 2HB ASP 71 -2.437 16.006 -4.440 608 H MET 72 H MET 72 -2.146 13.404 -2.660 609 HA MET 72 HA MET 72 -4.383 14.463 -1.008 610 1HB MET 72 1HB MET 72 -4.729 12.786 -2.853 611 2HB MET 72 2HB MET 72 -3.731 11.640 -1.957 612 1HG MET 72 1HG MET 72 -5.332 11.889 -0.020 613 2HG MET 72 2HG MET 72 -6.376 12.831 -1.085 614 1HE MET 72 1HE MET 72 -5.183 8.422 -1.519 615 2HE MET 72 2HE MET 72 -5.157 9.322 -0.006 616 3HE MET 72 3HE MET 72 -4.073 9.783 -1.316 617 H THR 73 H THR 73 -1.679 12.119 -0.798 618 HA THR 73 HA THR 73 -1.985 11.328 1.926 619 HB THR 73 HB THR 73 0.259 11.539 -0.076 620 HG1 THR 73 HG1 THR 73 0.124 9.372 0.040 621 1HG2 THR 73 1HG2 THR 73 1.631 10.245 1.753 622 2HG2 THR 73 2HG2 THR 73 0.616 11.158 2.871 623 3HG2 THR 73 3HG2 THR 73 1.641 12.008 1.714 624 H ALA 74 H ALA 74 -0.462 14.275 0.511 625 HA ALA 74 HA ALA 74 0.759 15.302 2.893 626 1HB ALA 74 1HB ALA 74 -0.485 16.599 0.454 627 2HB ALA 74 2HB ALA 74 1.227 16.377 0.813 628 3HB ALA 74 3HB ALA 74 0.282 17.560 1.718 629 H LYS 75 H LYS 75 -2.626 15.585 1.717 630 HA LYS 75 HA LYS 75 -3.394 17.173 4.108 631 1HB LYS 75 1HB LYS 75 -4.958 16.044 1.758 632 2HB LYS 75 2HB LYS 75 -5.645 17.092 3.000 633 1HG LYS 75 1HG LYS 75 -3.956 18.831 2.419 634 2HG LYS 75 2HG LYS 75 -3.372 17.792 1.117 635 1HD LYS 75 1HD LYS 75 -5.814 17.765 0.287 636 2HD LYS 75 2HD LYS 75 -6.066 19.132 1.375 637 1HE LYS 75 1HE LYS 75 -5.414 20.336 -0.483 638 2HE LYS 75 2HE LYS 75 -3.789 19.938 0.110 639 1HZ LYS 75 1HZ LYS 75 -3.743 17.991 -1.240 640 2HZ LYS 75 2HZ LYS 75 -4.190 19.285 -2.246 641 3HZ LYS 75 3HZ LYS 75 -5.364 18.186 -1.698 642 H GLU 76 H GLU 76 -3.760 13.833 2.857 643 HA GLU 76 HA GLU 76 -5.672 12.904 4.788 644 1HB GLU 76 1HB GLU 76 -4.606 11.825 2.618 645 2HB GLU 76 2HB GLU 76 -3.465 11.138 3.775 646 1HG GLU 76 1HG GLU 76 -5.114 9.500 3.775 647 2HG GLU 76 2HG GLU 76 -5.667 10.521 5.103 648 H LYS 77 H LYS 77 -2.240 13.656 5.214 649 HA LYS 77 HA LYS 77 -0.886 13.527 7.127 650 1HB LYS 77 1HB LYS 77 -3.221 14.363 8.019 651 2HB LYS 77 2HB LYS 77 -3.333 12.740 8.702 652 1HG LYS 77 1HG LYS 77 -1.590 13.089 10.176 653 2HG LYS 77 2HG LYS 77 -0.790 14.252 9.119 654 1HD LYS 77 1HD LYS 77 -2.426 15.959 9.655 655 2HD LYS 77 2HD LYS 77 -3.391 14.802 10.573 656 1HE LYS 77 1HE LYS 77 -1.650 14.572 12.247 657 2HE LYS 77 2HE LYS 77 -0.531 15.551 11.277 658 1HZ LYS 77 1HZ LYS 77 -2.220 17.350 11.349 659 2HZ LYS 77 2HZ LYS 77 -1.559 16.982 12.870 660 3HZ LYS 77 3HZ LYS 77 -3.111 16.428 12.459 661 H PHE 78 H PHE 78 -0.959 11.239 5.491 662 HA PHE 78 HA PHE 78 -1.638 8.768 6.748 663 1HB PHE 78 1HB PHE 78 0.205 9.682 4.602 664 2HB PHE 78 2HB PHE 78 0.588 8.114 5.312 665 HD1 PHE 78 HD1 PHE 78 -1.110 9.513 2.671 666 HD2 PHE 78 HD2 PHE 78 -1.763 6.768 5.908 667 HE1 PHE 78 HE1 PHE 78 -2.977 8.472 1.409 668 HE2 PHE 78 HE2 PHE 78 -3.634 5.727 4.648 669 HZ PHE 78 HZ PHE 78 -4.239 6.576 2.401 670 H SER 79 H SER 79 0.478 7.154 7.235 671 HA SER 79 HA SER 79 1.802 8.471 9.553 672 1HB SER 79 1HB SER 79 1.731 5.514 9.222 673 2HB SER 79 2HB SER 79 1.467 6.483 10.667 674 HG SER 79 HG SER 79 -0.587 6.917 9.991 675 HA PRO 80 HA PRO 80 5.747 7.566 7.879 676 1HB PRO 80 1HB PRO 80 7.121 5.970 9.601 677 2HB PRO 80 2HB PRO 80 6.767 7.676 9.916 678 1HG PRO 80 1HG PRO 80 5.480 5.248 11.010 679 2HG PRO 80 2HG PRO 80 5.767 6.818 11.771 680 1HD PRO 80 1HD PRO 80 3.359 5.963 10.748 681 2HD PRO 80 2HD PRO 80 3.793 7.661 11.036 682 H LEU 81 H LEU 81 3.665 4.818 8.218 683 HA LEU 81 HA LEU 81 5.509 3.229 6.479 684 1HB LEU 81 1HB LEU 81 3.565 2.577 8.675 685 2HB LEU 81 2HB LEU 81 3.856 1.384 7.396 686 HG LEU 81 HG LEU 81 6.259 2.679 8.595 687 1HD1 LEU 81 1HD1 LEU 81 4.421 0.800 10.063 688 2HD1 LEU 81 2HD1 LEU 81 5.219 2.255 10.659 689 3HD1 LEU 81 3HD1 LEU 81 6.155 0.788 10.375 690 1HD2 LEU 81 1HD2 LEU 81 5.450 0.066 7.375 691 2HD2 LEU 81 2HD2 LEU 81 6.832 0.085 8.471 692 3HD2 LEU 81 3HD2 LEU 81 6.845 1.084 7.017 693 H THR 82 H THR 82 3.241 5.372 5.858 694 HA THR 82 HA THR 82 1.799 3.573 3.979 695 HB THR 82 HB THR 82 0.447 5.946 5.267 696 HG1 THR 82 HG1 THR 82 1.050 4.911 7.069 697 1HG2 THR 82 1HG2 THR 82 -1.162 5.040 3.944 698 2HG2 THR 82 2HG2 THR 82 -1.203 3.692 5.075 699 3HG2 THR 82 3HG2 THR 82 -0.207 3.596 3.629 700 H SER 83 H SER 83 4.142 5.692 3.735 701 HA SER 83 HA SER 83 2.875 7.127 1.437 702 1HB SER 83 1HB SER 83 3.915 8.263 3.759 703 2HB SER 83 2HB SER 83 5.289 8.335 2.660 704 HG SER 83 HG SER 83 3.812 10.161 2.569 705 H ASN 84 H ASN 84 3.801 4.653 1.153 706 HA ASN 84 HA ASN 84 6.087 4.913 -0.697 707 1HB ASN 84 1HB ASN 84 6.617 4.352 1.960 708 2HB ASN 84 2HB ASN 84 6.448 2.734 1.280 709 1HD2 ASN 84 1HD2 ASN 84 8.144 5.867 0.558 710 2HD2 ASN 84 2HD2 ASN 84 9.513 5.120 -0.111 711 H LEU 85 H LEU 85 4.250 2.479 1.234 712 HA LEU 85 HA LEU 85 3.889 0.535 -0.834 713 1HB LEU 85 1HB LEU 85 3.386 0.117 1.549 714 2HB LEU 85 2HB LEU 85 2.116 1.334 1.520 715 HG LEU 85 HG LEU 85 0.894 -0.014 -0.179 716 1HD1 LEU 85 1HD1 LEU 85 3.367 -1.672 0.083 717 2HD1 LEU 85 2HD1 LEU 85 2.393 -1.331 -1.346 718 3HD1 LEU 85 3HD1 LEU 85 1.839 -2.516 -0.163 719 1HD2 LEU 85 1HD2 LEU 85 0.244 -1.858 1.361 720 2HD2 LEU 85 2HD2 LEU 85 0.368 -0.313 2.202 721 3HD2 LEU 85 3HD2 LEU 85 1.659 -1.505 2.354 722 H ILE 86 H ILE 86 2.240 3.684 -0.215 723 HA ILE 86 HA ILE 86 -0.027 3.173 -1.937 724 HB ILE 86 HB ILE 86 1.380 5.739 -1.109 725 1HG1 ILE 86 1HG1 ILE 86 -1.145 4.354 -0.134 726 2HG1 ILE 86 2HG1 ILE 86 0.392 4.415 0.726 727 1HG2 ILE 86 1HG2 ILE 86 -1.309 6.299 -1.741 728 2HG2 ILE 86 2HG2 ILE 86 -0.736 5.293 -3.070 729 3HG2 ILE 86 3HG2 ILE 86 0.110 6.787 -2.667 730 1HD1 ILE 86 1HD1 ILE 86 -1.471 6.714 0.097 731 2HD1 ILE 86 2HD1 ILE 86 0.190 6.960 0.637 732 3HD1 ILE 86 3HD1 ILE 86 -0.965 6.136 1.685 733 H ASN 87 H ASN 87 3.248 4.519 -2.555 734 HA ASN 87 HA ASN 87 2.878 5.261 -5.296 735 1HB ASN 87 1HB ASN 87 5.295 4.142 -3.827 736 2HB ASN 87 2HB ASN 87 5.373 4.865 -5.434 737 1HD2 ASN 87 1HD2 ASN 87 6.457 5.826 -2.671 738 2HD2 ASN 87 2HD2 ASN 87 5.867 7.413 -2.553 739 H LEU 88 H LEU 88 4.078 2.120 -3.964 740 HA LEU 88 HA LEU 88 4.318 0.686 -6.407 741 1HB LEU 88 1HB LEU 88 3.779 0.010 -3.543 742 2HB LEU 88 2HB LEU 88 3.479 -1.258 -4.731 743 HG LEU 88 HG LEU 88 6.035 0.258 -4.971 744 1HD1 LEU 88 1HD1 LEU 88 6.965 -1.566 -3.332 745 2HD1 LEU 88 2HD1 LEU 88 5.314 -1.596 -2.714 746 3HD1 LEU 88 3HD1 LEU 88 6.246 -0.100 -2.665 747 1HD2 LEU 88 1HD2 LEU 88 5.400 -2.702 -5.151 748 2HD2 LEU 88 2HD2 LEU 88 6.833 -1.879 -5.769 749 3HD2 LEU 88 3HD2 LEU 88 5.260 -1.593 -6.515 750 H LEU 89 H LEU 89 1.405 1.236 -4.373 751 HA LEU 89 HA LEU 89 -0.411 -0.429 -5.830 752 1HB LEU 89 1HB LEU 89 -0.606 1.974 -4.061 753 2HB LEU 89 2HB LEU 89 -2.037 1.543 -5.000 754 HG LEU 89 HG LEU 89 -0.514 -0.464 -3.325 755 1HD1 LEU 89 1HD1 LEU 89 -1.696 1.636 -2.167 756 2HD1 LEU 89 2HD1 LEU 89 -1.825 0.019 -1.477 757 3HD1 LEU 89 3HD1 LEU 89 -3.143 0.670 -2.450 758 1HD2 LEU 89 1HD2 LEU 89 -2.189 -1.938 -3.887 759 2HD2 LEU 89 2HD2 LEU 89 -2.276 -0.905 -5.316 760 3HD2 LEU 89 3HD2 LEU 89 -3.413 -0.671 -3.987 761 H ALA 90 H ALA 90 0.620 2.960 -6.415 762 HA ALA 90 HA ALA 90 -0.911 2.897 -8.992 763 1HB ALA 90 1HB ALA 90 -1.290 5.124 -8.629 764 2HB ALA 90 2HB ALA 90 0.351 5.403 -8.049 765 3HB ALA 90 3HB ALA 90 -0.868 4.739 -6.961 766 H GLU 91 H GLU 91 1.821 1.584 -8.490 767 HA GLU 91 HA GLU 91 3.547 3.329 -10.210 768 1HB GLU 91 1HB GLU 91 4.429 2.526 -8.036 769 2HB GLU 91 2HB GLU 91 4.170 0.861 -8.550 770 1HG GLU 91 1HG GLU 91 5.677 1.372 -10.539 771 2HG GLU 91 2HG GLU 91 6.091 2.882 -9.726 772 H ASN 92 H ASN 92 2.448 -0.119 -9.959 773 HA ASN 92 HA ASN 92 3.053 -0.367 -12.893 774 1HB ASN 92 1HB ASN 92 3.430 -2.113 -10.498 775 2HB ASN 92 2HB ASN 92 3.084 -2.900 -12.038 776 1HD2 ASN 92 1HD2 ASN 92 5.689 -2.029 -10.177 777 2HD2 ASN 92 2HD2 ASN 92 6.822 -1.722 -11.403 778 H GLY 93 H GLY 93 0.421 0.537 -11.656 779 1HA GLY 93 1HA GLY 93 -1.822 0.156 -12.250 780 2HA GLY 93 2HA GLY 93 -1.300 -1.266 -13.158 781 H ARG 94 H ARG 94 -0.932 -0.419 -9.676 782 HA ARG 94 HA ARG 94 -1.953 -3.144 -9.038 783 1HB ARG 94 1HB ARG 94 -0.171 -1.132 -7.783 784 2HB ARG 94 2HB ARG 94 -1.143 -2.091 -6.668 785 1HG ARG 94 1HG ARG 94 0.434 -3.374 -8.900 786 2HG ARG 94 2HG ARG 94 1.157 -3.045 -7.325 787 1HD ARG 94 1HD ARG 94 -0.480 -4.444 -6.206 788 2HD ARG 94 2HD ARG 94 -1.389 -4.656 -7.715 789 HE ARG 94 HE ARG 94 1.367 -5.718 -7.242 790 1HH1 ARG 94 1HH1 ARG 94 -0.549 -5.001 -9.839 791 2HH1 ARG 94 2HH1 ARG 94 -0.672 -6.617 -10.450 792 1HH2 ARG 94 1HH2 ARG 94 0.758 -8.069 -7.644 793 2HH2 ARG 94 2HH2 ARG 94 0.066 -8.354 -9.207 794 H LEU 95 H LEU 95 -2.787 0.306 -8.481 795 HA LEU 95 HA LEU 95 -4.789 -0.037 -6.466 796 1HB LEU 95 1HB LEU 95 -4.540 1.879 -8.817 797 2HB LEU 95 2HB LEU 95 -5.832 2.024 -7.624 798 HG LEU 95 HG LEU 95 -2.896 1.933 -6.885 799 1HD1 LEU 95 1HD1 LEU 95 -3.593 4.484 -6.389 800 2HD1 LEU 95 2HD1 LEU 95 -4.640 4.177 -7.777 801 3HD1 LEU 95 3HD1 LEU 95 -2.893 3.980 -7.929 802 1HD2 LEU 95 1HD2 LEU 95 -5.460 2.598 -5.415 803 2HD2 LEU 95 2HD2 LEU 95 -3.866 3.026 -4.787 804 3HD2 LEU 95 3HD2 LEU 95 -4.293 1.331 -5.033 805 H THR 96 H THR 96 -6.030 -1.816 -6.684 806 HA THR 96 HA THR 96 -8.411 -1.800 -8.313 807 HB THR 96 HB THR 96 -7.337 -4.079 -9.461 808 HG1 THR 96 HG1 THR 96 -5.286 -3.641 -10.060 809 1HG2 THR 96 1HG2 THR 96 -8.011 -1.354 -10.285 810 2HG2 THR 96 2HG2 THR 96 -8.355 -2.889 -11.082 811 3HG2 THR 96 3HG2 THR 96 -6.796 -2.101 -11.321 812 H ASN 97 H ASN 97 -5.950 -4.057 -6.958 813 HA ASN 97 HA ASN 97 -8.125 -5.546 -5.551 814 1HB ASN 97 1HB ASN 97 -5.246 -6.067 -6.306 815 2HB ASN 97 2HB ASN 97 -6.027 -7.040 -5.058 816 1HD2 ASN 97 1HD2 ASN 97 -5.894 -6.429 -8.535 817 2HD2 ASN 97 2HD2 ASN 97 -7.004 -7.638 -8.968 818 H THR 98 H THR 98 -6.885 -2.729 -4.809 819 HA THR 98 HA THR 98 -5.184 -2.612 -2.675 820 HB THR 98 HB THR 98 -7.120 -0.950 -1.779 821 HG1 THR 98 HG1 THR 98 -8.453 -0.406 -3.456 822 1HG2 THR 98 1HG2 THR 98 -5.444 -0.615 -4.277 823 2HG2 THR 98 2HG2 THR 98 -4.950 -0.235 -2.627 824 3HG2 THR 98 3HG2 THR 98 -6.220 0.708 -3.407 825 HA PRO 99 HA PRO 99 -8.508 -3.883 0.587 826 1HB PRO 99 1HB PRO 99 -10.577 -5.449 -0.339 827 2HB PRO 99 2HB PRO 99 -10.686 -3.687 -0.147 828 1HG PRO 99 1HG PRO 99 -10.105 -5.285 -2.605 829 2HG PRO 99 2HG PRO 99 -11.193 -3.899 -2.396 830 1HD PRO 99 1HD PRO 99 -8.788 -3.587 -3.483 831 2HD PRO 99 2HD PRO 99 -9.446 -2.360 -2.382 832 H ALA 100 H ALA 100 -7.979 -6.089 -2.207 833 HA ALA 100 HA ALA 100 -7.718 -8.527 -0.673 834 1HB ALA 100 1HB ALA 100 -7.828 -8.066 -3.268 835 2HB ALA 100 2HB ALA 100 -6.885 -9.437 -2.682 836 3HB ALA 100 3HB ALA 100 -6.074 -7.937 -3.135 837 H VAL 101 H VAL 101 -5.366 -5.953 -1.540 838 HA VAL 101 HA VAL 101 -3.036 -7.279 -0.435 839 HB VAL 101 HB VAL 101 -3.650 -4.321 -0.809 840 1HG1 VAL 101 1HG1 VAL 101 -1.012 -4.434 -1.119 841 2HG1 VAL 101 2HG1 VAL 101 -1.177 -5.851 -0.083 842 3HG1 VAL 101 3HG1 VAL 101 -1.724 -4.274 0.487 843 1HG2 VAL 101 1HG2 VAL 101 -2.507 -6.454 -2.614 844 2HG2 VAL 101 2HG2 VAL 101 -2.190 -4.743 -2.894 845 3HG2 VAL 101 3HG2 VAL 101 -3.844 -5.353 -2.941 846 H ILE 102 H ILE 102 -5.606 -5.280 1.040 847 HA ILE 102 HA ILE 102 -4.132 -4.892 3.551 848 HB ILE 102 HB ILE 102 -7.081 -4.565 2.869 849 1HG1 ILE 102 1HG1 ILE 102 -4.854 -2.505 2.971 850 2HG1 ILE 102 2HG1 ILE 102 -5.493 -3.197 1.484 851 1HG2 ILE 102 1HG2 ILE 102 -6.046 -4.651 5.374 852 2HG2 ILE 102 2HG2 ILE 102 -7.398 -3.612 4.931 853 3HG2 ILE 102 3HG2 ILE 102 -5.763 -2.954 4.994 854 1HD1 ILE 102 1HD1 ILE 102 -6.745 -1.246 3.353 855 2HD1 ILE 102 2HD1 ILE 102 -7.811 -2.428 2.595 856 3HD1 ILE 102 3HD1 ILE 102 -6.846 -1.342 1.595 857 H SER 103 H SER 103 -6.630 -7.201 2.382 858 HA SER 103 HA SER 103 -7.261 -8.415 4.902 859 1HB SER 103 1HB SER 103 -8.304 -8.773 2.557 860 2HB SER 103 2HB SER 103 -7.001 -9.926 2.288 861 HG SER 103 HG SER 103 -7.750 -11.147 3.971 862 H ALA 104 H ALA 104 -4.675 -9.250 2.536 863 HA ALA 104 HA ALA 104 -3.553 -11.447 4.012 864 1HB ALA 104 1HB ALA 104 -2.799 -11.112 1.779 865 2HB ALA 104 2HB ALA 104 -1.405 -10.670 2.764 866 3HB ALA 104 3HB ALA 104 -2.428 -9.413 2.071 867 H PHE 105 H PHE 105 -3.140 -7.913 4.387 868 HA PHE 105 HA PHE 105 -0.870 -7.834 6.098 869 1HB PHE 105 1HB PHE 105 -2.435 -5.972 5.067 870 2HB PHE 105 2HB PHE 105 -3.306 -6.124 6.591 871 HD1 PHE 105 HD1 PHE 105 -0.243 -4.995 4.969 872 HD2 PHE 105 HD2 PHE 105 -2.176 -5.596 8.744 873 HE1 PHE 105 HE1 PHE 105 1.430 -3.540 6.047 874 HE2 PHE 105 HE2 PHE 105 -0.487 -4.154 9.834 875 HZ PHE 105 HZ PHE 105 1.324 -3.137 8.485 876 H SER 106 H SER 106 -4.323 -8.409 6.923 877 HA SER 106 HA SER 106 -3.815 -8.587 9.794 878 1HB SER 106 1HB SER 106 -6.052 -8.123 9.190 879 2HB SER 106 2HB SER 106 -6.064 -9.355 7.930 880 HG SER 106 HG SER 106 -7.178 -10.176 9.659 881 H THR 107 H THR 107 -3.956 -11.003 7.141 882 HA THR 107 HA THR 107 -3.662 -13.282 8.955 883 HB THR 107 HB THR 107 -2.856 -13.313 6.046 884 HG1 THR 107 HG1 THR 107 -4.948 -13.193 5.435 885 1HG2 THR 107 1HG2 THR 107 -3.981 -15.189 8.075 886 2HG2 THR 107 2HG2 THR 107 -2.754 -15.471 6.840 887 3HG2 THR 107 3HG2 THR 107 -4.460 -15.425 6.395 888 H MET 108 H MET 108 -1.379 -11.253 7.055 889 HA MET 108 HA MET 108 0.917 -12.942 7.760 890 1HB MET 108 1HB MET 108 0.740 -10.079 6.752 891 2HB MET 108 2HB MET 108 2.210 -11.050 6.814 892 1HG MET 108 1HG MET 108 -0.279 -11.840 5.274 893 2HG MET 108 2HG MET 108 1.119 -11.045 4.551 894 1HE MET 108 1HE MET 108 0.017 -14.325 6.643 895 2HE MET 108 2HE MET 108 0.371 -15.354 5.258 896 3HE MET 108 3HE MET 108 -0.689 -13.960 5.063 897 H MET 109 H MET 109 -0.619 -9.990 9.109 898 HA MET 109 HA MET 109 1.429 -9.314 11.008 899 1HB MET 109 1HB MET 109 -0.580 -7.926 10.457 900 2HB MET 109 2HB MET 109 -1.600 -9.097 11.292 901 1HG MET 109 1HG MET 109 -0.449 -8.670 13.396 902 2HG MET 109 2HG MET 109 0.695 -7.598 12.587 903 1HE MET 109 1HE MET 109 -0.922 -6.053 15.092 904 2HE MET 109 2HE MET 109 -1.433 -7.730 14.916 905 3HE MET 109 3HE MET 109 -2.637 -6.443 14.900 906 H SER 110 H SER 110 -1.240 -11.753 11.193 907 HA SER 110 HA SER 110 -0.939 -12.418 13.967 908 1HB SER 110 1HB SER 110 -1.532 -14.298 11.651 909 2HB SER 110 2HB SER 110 -1.961 -14.564 13.338 910 HG SER 110 HG SER 110 -3.721 -13.709 12.211 911 H VAL 111 H VAL 111 1.066 -13.392 11.169 912 HA VAL 111 HA VAL 111 2.605 -15.327 12.771 913 HB VAL 111 HB VAL 111 3.162 -14.054 10.065 914 1HG1 VAL 111 1HG1 VAL 111 4.404 -16.344 11.585 915 2HG1 VAL 111 2HG1 VAL 111 5.206 -14.995 10.781 916 3HG1 VAL 111 3HG1 VAL 111 4.472 -16.282 9.824 917 1HG2 VAL 111 1HG2 VAL 111 1.849 -15.672 9.096 918 2HG2 VAL 111 2HG2 VAL 111 1.021 -15.600 10.652 919 3HG2 VAL 111 3HG2 VAL 111 2.213 -16.862 10.345 920 H HIS 112 H HIS 112 2.639 -11.883 12.702 921 HA HIS 112 HA HIS 112 5.533 -11.678 13.129 922 1HB HIS 112 1HB HIS 112 5.177 -9.493 12.562 923 2HB HIS 112 2HB HIS 112 3.601 -10.054 12.035 924 HD1 HIS 112 HD1 HIS 112 1.733 -9.982 14.176 925 HD2 HIS 112 HD2 HIS 112 4.980 -7.432 14.254 926 HE1 HIS 112 HE1 HIS 112 1.158 -8.176 15.840 927 H ARG 113 H ARG 113 2.543 -11.943 15.051 928 HA ARG 113 HA ARG 113 3.575 -10.943 17.550 929 1HB ARG 113 1HB ARG 113 1.172 -11.791 16.730 930 2HB ARG 113 2HB ARG 113 1.716 -13.296 17.473 931 1HG ARG 113 1HG ARG 113 0.796 -12.299 19.336 932 2HG ARG 113 2HG ARG 113 2.418 -11.614 19.437 933 1HD ARG 113 1HD ARG 113 1.727 -9.518 18.672 934 2HD ARG 113 2HD ARG 113 0.325 -10.185 17.812 935 HE ARG 113 HE ARG 113 -0.689 -10.638 20.065 936 1HH1 ARG 113 1HH1 ARG 113 0.339 -7.653 19.407 937 2HH1 ARG 113 2HH1 ARG 113 0.708 -7.162 21.026 938 1HH2 ARG 113 1HH2 ARG 113 0.489 -10.366 22.331 939 2HH2 ARG 113 2HH2 ARG 113 0.792 -8.697 22.682 940 H GLY 114 H GLY 114 3.880 -14.138 15.933 941 1HA GLY 114 1HA GLY 114 6.182 -15.148 16.605 942 2HA GLY 114 2HA GLY 114 5.523 -15.079 18.242 943 H GLU 115 H GLU 115 4.489 -16.252 14.976 944 HA GLU 115 HA GLU 115 3.299 -18.204 14.389 945 1HB GLU 115 1HB GLU 115 5.061 -18.938 16.709 946 2HB GLU 115 2HB GLU 115 3.922 -20.137 16.097 947 1HG GLU 115 1HG GLU 115 4.870 -19.988 13.870 948 2HG GLU 115 2HG GLU 115 5.910 -18.649 14.360 949 H VAL 116 H VAL 116 1.824 -16.253 15.972 950 HA VAL 116 HA VAL 116 0.138 -18.031 17.707 951 HB VAL 116 HB VAL 116 0.598 -15.021 17.700 952 1HG1 VAL 116 1HG1 VAL 116 -0.569 -15.372 20.027 953 2HG1 VAL 116 2HG1 VAL 116 -1.218 -16.831 19.279 954 3HG1 VAL 116 3HG1 VAL 116 -1.563 -15.250 18.575 955 1HG2 VAL 116 1HG2 VAL 116 2.531 -15.842 18.672 956 2HG2 VAL 116 2HG2 VAL 116 1.754 -17.331 19.210 957 3HG2 VAL 116 3HG2 VAL 116 1.482 -15.827 20.090 958 HA PRO 117 HA PRO 117 -2.482 -16.976 14.075 959 1HB PRO 117 1HB PRO 117 -3.897 -19.318 14.067 960 2HB PRO 117 2HB PRO 117 -2.325 -19.138 13.263 961 1HG PRO 117 1HG PRO 117 -2.978 -20.384 15.883 962 2HG PRO 117 2HG PRO 117 -1.802 -20.882 14.657 963 1HD PRO 117 1HD PRO 117 -1.134 -19.559 16.952 964 2HD PRO 117 2HD PRO 117 -0.186 -19.476 15.451 965 H CYS 118 H CYS 118 -5.138 -17.442 14.044 966 HA CYS 118 HA CYS 118 -6.132 -16.821 16.808 967 1HB CYS 118 1HB CYS 118 -5.845 -14.994 14.869 968 2HB CYS 118 2HB CYS 118 -7.408 -15.642 14.374 969 HG CYS 118 HG CYS 118 -7.974 -13.807 16.098 970 H THR 119 H THR 119 -6.538 -19.335 16.580 971 HA THR 119 HA THR 119 -9.197 -19.736 15.245 972 HB THR 119 HB THR 119 -7.143 -21.913 15.571 973 HG1 THR 119 HG1 THR 119 -5.915 -20.530 14.471 974 1HG2 THR 119 1HG2 THR 119 -9.520 -22.317 14.797 975 2HG2 THR 119 2HG2 THR 119 -8.273 -22.865 13.678 976 3HG2 THR 119 3HG2 THR 119 -9.139 -21.362 13.366 977 H VAL 120 H VAL 120 -9.121 -18.950 17.947 978 HA VAL 120 HA VAL 120 -9.847 -21.507 19.327 979 HB VAL 120 HB VAL 120 -7.588 -20.766 19.989 980 1HG1 VAL 120 1HG1 VAL 120 -9.020 -18.177 20.630 981 2HG1 VAL 120 2HG1 VAL 120 -7.679 -18.413 19.511 982 3HG1 VAL 120 3HG1 VAL 120 -7.416 -18.569 21.248 983 1HG2 VAL 120 1HG2 VAL 120 -9.395 -21.654 21.661 984 2HG2 VAL 120 2HG2 VAL 120 -9.389 -20.002 22.277 985 3HG2 VAL 120 3HG2 VAL 120 -7.907 -20.959 22.306 986 1H GLN 1 1H GLN 1 8.893 -7.764 -17.403 987 2H GLN 1 2H GLN 1 9.895 -8.283 -18.672 988 3H GLN 1 3H GLN 1 8.219 -8.143 -18.912 989 HA GLN 1 HA GLN 1 10.055 -5.868 -18.346 990 1HB GLN 1 1HB GLN 1 10.191 -7.236 -20.549 991 2HB GLN 1 2HB GLN 1 8.609 -6.542 -20.910 992 1HG GLN 1 1HG GLN 1 9.794 -4.275 -20.261 993 2HG GLN 1 2HG GLN 1 11.264 -5.170 -20.648 994 1HE2 GLN 1 1HE2 GLN 1 11.703 -4.031 -22.676 995 2HE2 GLN 1 2HE2 GLN 1 10.681 -4.191 -24.023 996 H LYS 2 H LYS 2 8.920 -3.973 -17.807 997 HA LYS 2 HA LYS 2 7.078 -2.609 -17.247 998 1HB LYS 2 1HB LYS 2 6.570 -3.866 -19.898 999 2HB LYS 2 2HB LYS 2 5.194 -3.065 -19.137 1000 1HG LYS 2 1HG LYS 2 7.825 -1.637 -19.172 1001 2HG LYS 2 2HG LYS 2 6.884 -1.698 -20.663 1002 1HD LYS 2 1HD LYS 2 5.062 -0.551 -19.707 1003 2HD LYS 2 2HD LYS 2 5.594 -0.894 -18.062 1004 1HE LYS 2 1HE LYS 2 7.165 0.810 -18.066 1005 2HE LYS 2 2HE LYS 2 7.425 0.702 -19.820 1006 1HZ LYS 2 1HZ LYS 2 5.302 1.657 -20.229 1007 2HZ LYS 2 2HZ LYS 2 6.082 2.663 -19.103 1008 3HZ LYS 2 3HZ LYS 2 4.872 1.587 -18.590 1009 H THR 3 H THR 3 7.144 -5.142 -15.814 1010 HA THR 3 HA THR 3 4.199 -5.579 -15.456 1011 HB THR 3 HB THR 3 5.008 -8.013 -14.970 1012 HG1 THR 3 HG1 THR 3 6.940 -8.536 -15.864 1013 1HG2 THR 3 1HG2 THR 3 4.862 -8.570 -17.368 1014 2HG2 THR 3 2HG2 THR 3 5.117 -6.874 -17.776 1015 3HG2 THR 3 3HG2 THR 3 3.654 -7.365 -16.924 1016 H GLY 4 H GLY 4 7.297 -6.638 -13.900 1017 1HA GLY 4 1HA GLY 4 8.055 -6.161 -11.705 1018 2HA GLY 4 2HA GLY 4 6.612 -5.180 -11.446 1019 H THR 5 H THR 5 7.674 -8.610 -11.715 1020 HA THR 5 HA THR 5 5.530 -9.288 -9.734 1021 HB THR 5 HB THR 5 4.810 -9.896 -12.003 1022 HG1 THR 5 HG1 THR 5 4.193 -11.372 -10.511 1023 1HG2 THR 5 1HG2 THR 5 6.511 -10.276 -13.460 1024 2HG2 THR 5 2HG2 THR 5 6.436 -11.933 -12.863 1025 3HG2 THR 5 3HG2 THR 5 7.609 -10.804 -12.185 1026 H ALA 6 H ALA 6 8.341 -8.800 -9.135 1027 HA ALA 6 HA ALA 6 9.180 -11.579 -8.375 1028 1HB ALA 6 1HB ALA 6 10.374 -9.991 -10.260 1029 2HB ALA 6 2HB ALA 6 11.229 -11.218 -9.326 1030 3HB ALA 6 3HB ALA 6 11.272 -9.531 -8.813 1031 H GLU 7 H GLU 7 7.656 -10.084 -6.558 1032 HA GLU 7 HA GLU 7 7.706 -9.211 -4.369 1033 1HB GLU 7 1HB GLU 7 9.532 -11.229 -4.567 1034 2HB GLU 7 2HB GLU 7 10.575 -9.905 -4.051 1035 1HG GLU 7 1HG GLU 7 9.876 -10.566 -1.970 1036 2HG GLU 7 2HG GLU 7 8.510 -9.520 -2.356 1037 H VAL 8 H VAL 8 8.104 -7.267 -6.343 1038 HA VAL 8 HA VAL 8 10.515 -5.718 -6.096 1039 HB VAL 8 HB VAL 8 7.670 -4.797 -6.668 1040 1HG1 VAL 8 1HG1 VAL 8 8.503 -2.755 -7.268 1041 2HG1 VAL 8 2HG1 VAL 8 10.002 -3.439 -7.896 1042 3HG1 VAL 8 3HG1 VAL 8 9.808 -3.183 -6.163 1043 1HG2 VAL 8 1HG2 VAL 8 8.008 -6.261 -8.407 1044 2HG2 VAL 8 2HG2 VAL 8 9.763 -6.202 -8.250 1045 3HG2 VAL 8 3HG2 VAL 8 8.907 -4.898 -9.074 1046 H SER 9 H SER 9 7.453 -5.600 -4.213 1047 HA SER 9 HA SER 9 8.081 -3.319 -2.598 1048 1HB SER 9 1HB SER 9 5.874 -4.486 -2.683 1049 2HB SER 9 2HB SER 9 6.580 -5.849 -1.820 1050 HG SER 9 HG SER 9 5.520 -4.388 -0.411 1051 H SER 10 H SER 10 9.123 -6.734 -2.295 1052 HA SER 10 HA SER 10 10.287 -6.479 0.347 1053 1HB SER 10 1HB SER 10 9.815 -8.657 -0.664 1054 2HB SER 10 2HB SER 10 10.900 -8.306 -2.007 1055 HG SER 10 HG SER 10 11.893 -9.599 -0.391 1056 H ILE 11 H ILE 11 11.872 -6.443 -2.910 1057 HA ILE 11 HA ILE 11 14.461 -5.681 -1.922 1058 HB ILE 11 HB ILE 11 14.002 -6.566 -4.203 1059 1HG1 ILE 11 1HG1 ILE 11 15.211 -3.811 -4.465 1060 2HG1 ILE 11 2HG1 ILE 11 16.033 -5.105 -3.590 1061 1HG2 ILE 11 1HG2 ILE 11 13.204 -4.878 -5.923 1062 2HG2 ILE 11 2HG2 ILE 11 12.702 -3.857 -4.578 1063 3HG2 ILE 11 3HG2 ILE 11 11.970 -5.443 -4.802 1064 1HD1 ILE 11 1HD1 ILE 11 16.449 -6.319 -5.497 1065 2HD1 ILE 11 2HD1 ILE 11 16.380 -4.716 -6.230 1066 3HD1 ILE 11 3HD1 ILE 11 14.970 -5.775 -6.290 1067 H LEU 12 H LEU 12 11.589 -3.690 -2.695 1068 HA LEU 12 HA LEU 12 12.953 -1.133 -2.631 1069 1HB LEU 12 1HB LEU 12 10.546 -1.806 -3.427 1070 2HB LEU 12 2HB LEU 12 10.099 -1.554 -1.739 1071 HG LEU 12 HG LEU 12 11.619 0.520 -3.329 1072 1HD1 LEU 12 1HD1 LEU 12 9.232 -0.212 -4.192 1073 2HD1 LEU 12 2HD1 LEU 12 9.635 1.499 -4.053 1074 3HD1 LEU 12 3HD1 LEU 12 8.672 0.715 -2.801 1075 1HD2 LEU 12 1HD2 LEU 12 10.352 0.303 -0.640 1076 2HD2 LEU 12 2HD2 LEU 12 10.193 1.851 -1.471 1077 3HD2 LEU 12 3HD2 LEU 12 11.794 1.192 -1.135 1078 H GLU 13 H GLU 13 11.423 -3.146 -0.071 1079 HA GLU 13 HA GLU 13 11.575 -1.231 2.062 1080 1HB GLU 13 1HB GLU 13 10.409 -3.484 2.062 1081 2HB GLU 13 2HB GLU 13 11.992 -4.234 2.268 1082 1HG GLU 13 1HG GLU 13 12.114 -2.398 4.245 1083 2HG GLU 13 2HG GLU 13 10.371 -2.669 4.207 1084 H GLU 14 H GLU 14 14.036 -3.559 0.848 1085 HA GLU 14 HA GLU 14 16.007 -3.080 2.890 1086 1HB GLU 14 1HB GLU 14 16.022 -4.905 1.142 1087 2HB GLU 14 2HB GLU 14 16.486 -3.690 -0.051 1088 1HG GLU 14 1HG GLU 14 18.499 -3.156 1.293 1089 2HG GLU 14 2HG GLU 14 18.043 -4.405 2.452 1090 H ARG 15 H ARG 15 15.381 -1.385 -0.219 1091 HA ARG 15 HA ARG 15 17.637 0.377 -0.172 1092 1HB ARG 15 1HB ARG 15 15.933 0.014 -2.031 1093 2HB ARG 15 2HB ARG 15 14.841 1.071 -1.132 1094 1HG ARG 15 1HG ARG 15 16.997 2.654 -1.123 1095 2HG ARG 15 2HG ARG 15 17.359 1.742 -2.590 1096 1HD ARG 15 1HD ARG 15 16.025 3.349 -3.564 1097 2HD ARG 15 2HD ARG 15 14.714 2.296 -2.993 1098 HE ARG 15 HE ARG 15 14.521 3.723 -0.998 1099 1HH1 ARG 15 1HH1 ARG 15 14.002 5.713 -3.071 1100 2HH1 ARG 15 2HH1 ARG 15 15.156 6.959 -2.737 1101 1HH2 ARG 15 1HH2 ARG 15 17.151 4.943 -0.742 1102 2HH2 ARG 15 2HH2 ARG 15 16.940 6.524 -1.418 1103 H ILE 16 H ILE 16 14.477 0.637 1.509 1104 HA ILE 16 HA ILE 16 15.284 3.278 2.617 1105 HB ILE 16 HB ILE 16 12.980 3.378 3.433 1106 1HG1 ILE 16 1HG1 ILE 16 12.479 0.636 2.257 1107 2HG1 ILE 16 2HG1 ILE 16 12.906 0.845 3.954 1108 1HG2 ILE 16 1HG2 ILE 16 13.503 3.845 1.013 1109 2HG2 ILE 16 2HG2 ILE 16 11.833 3.366 1.315 1110 3HG2 ILE 16 3HG2 ILE 16 12.977 2.204 0.643 1111 1HD1 ILE 16 1HD1 ILE 16 10.416 0.788 3.470 1112 2HD1 ILE 16 2HD1 ILE 16 10.623 2.330 2.641 1113 3HD1 ILE 16 3HD1 ILE 16 10.974 2.201 4.365 1114 H LEU 17 H LEU 17 14.865 -0.105 3.703 1115 HA LEU 17 HA LEU 17 15.859 0.761 6.399 1116 1HB LEU 17 1HB LEU 17 13.417 -0.217 5.886 1117 2HB LEU 17 2HB LEU 17 14.284 -1.749 6.006 1118 HG LEU 17 HG LEU 17 14.748 0.329 8.113 1119 1HD1 LEU 17 1HD1 LEU 17 12.563 -1.634 8.584 1120 2HD1 LEU 17 2HD1 LEU 17 12.176 -0.262 7.546 1121 3HD1 LEU 17 3HD1 LEU 17 12.749 0.012 9.191 1122 1HD2 LEU 17 1HD2 LEU 17 14.810 -1.866 9.465 1123 2HD2 LEU 17 2HD2 LEU 17 16.111 -1.609 8.302 1124 3HD2 LEU 17 3HD2 LEU 17 14.772 -2.686 7.905 1125 H GLY 18 H GLY 18 17.848 0.226 4.572 1126 1HA GLY 18 1HA GLY 18 18.718 -2.534 5.332 1127 2HA GLY 18 2HA GLY 18 18.975 -1.914 3.700 1128 H ALA 19 H ALA 19 19.374 -0.168 6.817 1129 HA ALA 19 HA ALA 19 22.319 -0.068 6.315 1130 1HB ALA 19 1HB ALA 19 21.996 2.456 6.928 1131 2HB ALA 19 2HB ALA 19 20.311 2.175 6.486 1132 3HB ALA 19 3HB ALA 19 21.589 1.928 5.295 1133 H ASP 20 H ASP 20 23.426 -0.428 8.252 1134 HA ASP 20 HA ASP 20 22.110 0.370 10.809 1135 1HB ASP 20 1HB ASP 20 22.616 -1.899 11.706 1136 2HB ASP 20 2HB ASP 20 21.497 -1.966 10.344 1137 H THR 21 H THR 21 24.250 1.797 9.695 1138 HA THR 21 HA THR 21 26.480 1.055 11.544 1139 HB THR 21 HB THR 21 26.769 1.861 8.631 1140 HG1 THR 21 HG1 THR 21 26.017 -0.175 8.586 1141 1HG2 THR 21 1HG2 THR 21 28.598 2.277 10.493 1142 2HG2 THR 21 2HG2 THR 21 29.060 1.639 8.916 1143 3HG2 THR 21 3HG2 THR 21 28.888 0.548 10.291 1144 H SER 22 H SER 22 26.066 2.888 12.924 1145 HA SER 22 HA SER 22 26.400 5.561 11.598 1146 1HB SER 22 1HB SER 22 24.648 6.388 12.932 1147 2HB SER 22 2HB SER 22 24.087 4.766 12.539 1148 HG SER 22 HG SER 22 23.897 4.912 14.709 1149 H VAL 23 H VAL 23 27.970 6.903 12.575 1150 HA VAL 23 HA VAL 23 29.007 6.096 15.264 1151 HB VAL 23 HB VAL 23 30.617 6.688 12.754 1152 1HG1 VAL 23 1HG1 VAL 23 32.531 5.919 14.237 1153 2HG1 VAL 23 2HG1 VAL 23 31.423 6.049 15.603 1154 3HG1 VAL 23 3HG1 VAL 23 31.840 7.484 14.667 1155 1HG2 VAL 23 1HG2 VAL 23 29.827 4.489 12.488 1156 2HG2 VAL 23 2HG2 VAL 23 29.875 4.162 14.220 1157 3HG2 VAL 23 3HG2 VAL 23 31.375 4.245 13.297 1158 H ASP 24 H ASP 24 28.811 7.933 16.556 1159 HA ASP 24 HA ASP 24 29.158 10.606 15.232 1160 1HB ASP 24 1HB ASP 24 27.527 9.693 17.624 1161 2HB ASP 24 2HB ASP 24 27.662 11.372 17.101 1162 H LEU 25 H LEU 25 29.432 9.135 18.537 1163 HA LEU 25 HA LEU 25 32.014 10.636 18.849 1164 1HB LEU 25 1HB LEU 25 29.695 11.297 20.051 1165 2HB LEU 25 2HB LEU 25 30.260 10.079 21.196 1166 HG LEU 25 HG LEU 25 32.152 12.209 20.242 1167 1HD1 LEU 25 1HD1 LEU 25 31.421 13.743 21.914 1168 2HD1 LEU 25 2HD1 LEU 25 30.356 12.546 22.652 1169 3HD1 LEU 25 3HD1 LEU 25 29.953 13.233 21.079 1170 1HD2 LEU 25 1HD2 LEU 25 33.399 11.578 22.086 1171 2HD2 LEU 25 2HD2 LEU 25 32.567 10.055 21.770 1172 3HD2 LEU 25 3HD2 LEU 25 31.975 11.139 23.029 Start of MODEL 21 1 1H PHE 1 1H PHE 1 -29.248 -24.539 -11.901 2 2H PHE 1 2H PHE 1 -29.118 -23.354 -13.112 3 3H PHE 1 3H PHE 1 -30.618 -24.086 -12.793 4 HA PHE 1 HA PHE 1 -30.651 -21.916 -11.804 5 1HB PHE 1 1HB PHE 1 -31.285 -24.282 -10.658 6 2HB PHE 1 2HB PHE 1 -30.122 -23.691 -9.471 7 HD1 PHE 1 HD1 PHE 1 -33.507 -23.731 -10.258 8 HD2 PHE 1 HD2 PHE 1 -30.424 -21.018 -8.997 9 HE1 PHE 1 HE1 PHE 1 -35.229 -22.207 -9.329 10 HE2 PHE 1 HE2 PHE 1 -32.145 -19.494 -8.068 11 HZ PHE 1 HZ PHE 1 -34.548 -20.088 -8.234 12 H ALA 2 H ALA 2 -28.970 -20.368 -11.822 13 HA ALA 2 HA ALA 2 -26.788 -20.762 -9.814 14 1HB ALA 2 1HB ALA 2 -26.504 -19.911 -12.716 15 2HB ALA 2 2HB ALA 2 -25.987 -21.456 -12.039 16 3HB ALA 2 3HB ALA 2 -25.188 -19.964 -11.543 17 H LYS 3 H LYS 3 -27.920 -19.121 -8.493 18 HA LYS 3 HA LYS 3 -27.750 -16.359 -9.660 19 1HB LYS 3 1HB LYS 3 -29.841 -17.792 -8.036 20 2HB LYS 3 2HB LYS 3 -29.712 -16.036 -7.935 21 1HG LYS 3 1HG LYS 3 -29.854 -17.452 -10.598 22 2HG LYS 3 2HG LYS 3 -31.314 -16.999 -9.716 23 1HD LYS 3 1HD LYS 3 -29.193 -14.922 -10.081 24 2HD LYS 3 2HD LYS 3 -30.199 -15.335 -11.470 25 1HE LYS 3 1HE LYS 3 -32.220 -15.011 -9.902 26 2HE LYS 3 2HE LYS 3 -31.078 -14.216 -8.800 27 1HZ LYS 3 1HZ LYS 3 -30.441 -12.700 -10.503 28 2HZ LYS 3 2HZ LYS 3 -32.138 -12.684 -10.435 29 3HZ LYS 3 3HZ LYS 3 -31.342 -13.529 -11.676 30 H LEU 4 H LEU 4 -25.444 -16.901 -8.500 31 HA LEU 4 HA LEU 4 -25.624 -15.660 -5.793 32 1HB LEU 4 1HB LEU 4 -24.059 -17.413 -4.951 33 2HB LEU 4 2HB LEU 4 -25.600 -18.091 -5.471 34 HG LEU 4 HG LEU 4 -23.496 -17.914 -7.563 35 1HD1 LEU 4 1HD1 LEU 4 -22.653 -20.209 -6.615 36 2HD1 LEU 4 2HD1 LEU 4 -23.249 -19.588 -5.076 37 3HD1 LEU 4 3HD1 LEU 4 -21.995 -18.712 -5.953 38 1HD2 LEU 4 1HD2 LEU 4 -24.475 -20.428 -7.628 39 2HD2 LEU 4 2HD2 LEU 4 -25.317 -19.066 -8.366 40 3HD2 LEU 4 3HD2 LEU 4 -25.794 -19.634 -6.767 41 H VAL 5 H VAL 5 -23.501 -14.700 -5.119 42 HA VAL 5 HA VAL 5 -21.468 -14.495 -7.291 43 HB VAL 5 HB VAL 5 -21.530 -12.013 -7.032 44 1HG1 VAL 5 1HG1 VAL 5 -24.332 -12.950 -7.616 45 2HG1 VAL 5 2HG1 VAL 5 -22.995 -13.408 -8.671 46 3HG1 VAL 5 3HG1 VAL 5 -23.389 -11.705 -8.435 47 1HG2 VAL 5 1HG2 VAL 5 -22.883 -10.938 -5.522 48 2HG2 VAL 5 2HG2 VAL 5 -22.772 -12.470 -4.658 49 3HG2 VAL 5 3HG2 VAL 5 -24.172 -12.131 -5.673 50 H ARG 6 H ARG 6 -20.721 -16.011 -5.246 51 HA ARG 6 HA ARG 6 -19.340 -14.210 -3.281 52 1HB ARG 6 1HB ARG 6 -20.337 -17.072 -3.103 53 2HB ARG 6 2HB ARG 6 -19.417 -16.268 -1.831 54 1HG ARG 6 1HG ARG 6 -21.230 -14.423 -1.963 55 2HG ARG 6 2HG ARG 6 -22.186 -15.622 -2.835 56 1HD ARG 6 1HD ARG 6 -21.685 -17.214 -0.866 57 2HD ARG 6 2HD ARG 6 -21.168 -15.759 0.010 58 HE ARG 6 HE ARG 6 -23.920 -16.286 -0.978 59 1HH1 ARG 6 1HH1 ARG 6 -22.274 -15.225 1.652 60 2HH1 ARG 6 2HH1 ARG 6 -23.150 -13.748 1.872 61 1HH2 ARG 6 1HH2 ARG 6 -24.779 -13.950 -1.182 62 2HH2 ARG 6 2HH2 ARG 6 -24.569 -13.026 0.268 63 HA PRO 7 HA PRO 7 -16.109 -16.306 -5.874 64 1HB PRO 7 1HB PRO 7 -14.499 -14.114 -6.172 65 2HB PRO 7 2HB PRO 7 -15.853 -14.474 -7.262 66 1HG PRO 7 1HG PRO 7 -15.701 -12.539 -5.009 67 2HG PRO 7 2HG PRO 7 -16.500 -12.383 -6.581 68 1HD PRO 7 1HD PRO 7 -17.822 -12.954 -4.263 69 2HD PRO 7 2HD PRO 7 -18.393 -13.450 -5.871 70 HA PRO 8 HA PRO 8 -14.018 -16.527 -1.843 71 1HB PRO 8 1HB PRO 8 -12.718 -18.890 -2.306 72 2HB PRO 8 2HB PRO 8 -14.419 -18.806 -1.804 73 1HG PRO 8 1HG PRO 8 -13.266 -19.244 -4.512 74 2HG PRO 8 2HG PRO 8 -14.681 -19.989 -3.753 75 1HD PRO 8 1HD PRO 8 -14.846 -17.979 -5.585 76 2HD PRO 8 2HD PRO 8 -16.062 -18.253 -4.317 77 H VAL 9 H VAL 9 -12.250 -15.119 -1.708 78 HA VAL 9 HA VAL 9 -9.795 -15.815 -3.241 79 HB VAL 9 HB VAL 9 -9.648 -13.472 -4.073 80 1HG1 VAL 9 1HG1 VAL 9 -10.790 -15.380 -5.343 81 2HG1 VAL 9 2HG1 VAL 9 -11.200 -13.744 -5.857 82 3HG1 VAL 9 3HG1 VAL 9 -12.319 -14.656 -4.844 83 1HG2 VAL 9 1HG2 VAL 9 -12.391 -13.260 -2.790 84 2HG2 VAL 9 2HG2 VAL 9 -11.764 -12.097 -3.957 85 3HG2 VAL 9 3HG2 VAL 9 -10.959 -12.305 -2.403 86 H GLN 10 H GLN 10 -8.050 -15.632 -1.851 87 HA GLN 10 HA GLN 10 -7.700 -13.401 -0.023 88 1HB GLN 10 1HB GLN 10 -9.505 -15.299 0.834 89 2HB GLN 10 2HB GLN 10 -8.009 -15.867 1.576 90 1HG GLN 10 1HG GLN 10 -7.799 -13.232 2.127 91 2HG GLN 10 2HG GLN 10 -9.556 -13.383 2.096 92 1HE2 GLN 10 1HE2 GLN 10 -9.983 -15.936 3.199 93 2HE2 GLN 10 2HE2 GLN 10 -9.359 -15.985 4.778 94 H ILE 11 H ILE 11 -5.467 -13.255 0.365 95 HA ILE 11 HA ILE 11 -3.199 -13.863 0.456 96 HB ILE 11 HB ILE 11 -4.475 -16.513 1.173 97 1HG1 ILE 11 1HG1 ILE 11 -3.651 -15.580 3.507 98 2HG1 ILE 11 2HG1 ILE 11 -3.764 -14.023 2.686 99 1HG2 ILE 11 1HG2 ILE 11 -2.302 -17.185 0.850 100 2HG2 ILE 11 2HG2 ILE 11 -2.115 -16.510 2.469 101 3HG2 ILE 11 3HG2 ILE 11 -1.664 -15.553 1.056 102 1HD1 ILE 11 1HD1 ILE 11 -6.064 -14.174 2.419 103 2HD1 ILE 11 2HD1 ILE 11 -5.861 -15.019 3.954 104 3HD1 ILE 11 3HD1 ILE 11 -6.057 -15.937 2.460 105 H TYR 12 H TYR 12 -1.858 -14.135 -1.323 106 HA TYR 12 HA TYR 12 -2.435 -16.380 -3.212 107 1HB TYR 12 1HB TYR 12 -1.968 -13.539 -4.177 108 2HB TYR 12 2HB TYR 12 -2.625 -14.897 -5.083 109 HD1 TYR 12 HD1 TYR 12 -3.324 -12.491 -2.335 110 HD2 TYR 12 HD2 TYR 12 -4.987 -15.419 -5.007 111 HE1 TYR 12 HE1 TYR 12 -5.590 -11.864 -1.607 112 HE2 TYR 12 HE2 TYR 12 -7.265 -14.766 -4.286 113 HH TYR 12 HH TYR 12 -8.119 -12.148 -3.040 114 H GLY 13 H GLY 13 -0.241 -13.507 -2.889 115 1HA GLY 13 1HA GLY 13 2.117 -14.906 -2.306 116 2HA GLY 13 2HA GLY 13 1.999 -14.921 -4.063 117 H ILE 14 H ILE 14 2.324 -12.931 -5.218 118 HA ILE 14 HA ILE 14 4.059 -10.994 -4.036 119 HB ILE 14 HB ILE 14 2.296 -11.075 -6.491 120 1HG1 ILE 14 1HG1 ILE 14 4.408 -12.359 -6.424 121 2HG1 ILE 14 2HG1 ILE 14 4.479 -11.080 -7.633 122 1HG2 ILE 14 1HG2 ILE 14 3.455 -8.648 -5.286 123 2HG2 ILE 14 2HG2 ILE 14 2.214 -8.802 -6.527 124 3HG2 ILE 14 3HG2 ILE 14 3.918 -8.898 -6.970 125 1HD1 ILE 14 1HD1 ILE 14 6.305 -10.226 -6.626 126 2HD1 ILE 14 2HD1 ILE 14 6.234 -11.503 -5.411 127 3HD1 ILE 14 3HD1 ILE 14 5.379 -9.981 -5.143 128 H GLU 15 H GLU 15 0.486 -10.945 -4.393 129 HA GLU 15 HA GLU 15 0.142 -8.287 -3.293 130 1HB GLU 15 1HB GLU 15 -1.623 -10.723 -3.605 131 2HB GLU 15 2HB GLU 15 -2.222 -9.264 -2.812 132 1HG GLU 15 1HG GLU 15 -1.325 -8.009 -4.900 133 2HG GLU 15 2HG GLU 15 -1.289 -9.601 -5.660 134 H GLY 16 H GLY 16 0.361 -11.545 -1.774 135 1HA GLY 16 1HA GLY 16 -0.245 -10.513 0.890 136 2HA GLY 16 2HA GLY 16 0.409 -12.116 0.520 137 H ARG 17 H ARG 17 2.752 -11.561 -0.821 138 HA ARG 17 HA ARG 17 4.583 -10.808 1.274 139 1HB ARG 17 1HB ARG 17 5.130 -12.207 -0.732 140 2HB ARG 17 2HB ARG 17 5.003 -10.763 -1.739 141 1HG ARG 17 1HG ARG 17 6.974 -9.875 -0.958 142 2HG ARG 17 2HG ARG 17 6.784 -10.591 0.643 143 1HD ARG 17 1HD ARG 17 7.250 -12.853 -0.415 144 2HD ARG 17 2HD ARG 17 7.696 -11.980 -1.895 145 HE ARG 17 HE ARG 17 9.658 -11.236 -0.800 146 1HH1 ARG 17 1HH2 ARG 17 8.601 -13.661 1.058 147 2HH1 ARG 17 2HH2 ARG 17 9.078 -13.010 2.591 148 1HH2 ARG 17 1HH1 ARG 17 9.726 -9.841 1.343 149 2HH2 ARG 17 2HH1 ARG 17 9.714 -10.847 2.752 150 H TYR 18 H TYR 18 2.822 -8.833 -1.095 151 HA TYR 18 HA TYR 18 4.518 -6.513 -1.027 152 1HB TYR 18 1HB TYR 18 1.721 -7.178 -1.775 153 2HB TYR 18 2HB TYR 18 1.951 -5.509 -1.279 154 HD1 TYR 18 HD1 TYR 18 1.635 -4.455 -3.389 155 HD2 TYR 18 HD2 TYR 18 4.533 -7.603 -2.975 156 HE1 TYR 18 HE1 TYR 18 2.532 -3.929 -5.637 157 HE2 TYR 18 HE2 TYR 18 5.433 -7.067 -5.219 158 HH TYR 18 HH TYR 18 4.010 -5.627 -7.474 159 H ALA 19 H ALA 19 1.724 -7.435 1.060 160 HA ALA 19 HA ALA 19 2.073 -5.055 2.756 161 1HB ALA 19 1HB ALA 19 0.401 -7.559 2.808 162 2HB ALA 19 2HB ALA 19 -0.125 -5.876 2.769 163 3HB ALA 19 3HB ALA 19 0.510 -6.565 4.264 164 H THR 20 H THR 20 3.050 -8.506 2.931 165 HA THR 20 HA THR 20 4.163 -8.203 5.610 166 HB THR 20 HB THR 20 5.347 -10.450 4.570 167 HG1 THR 20 HG1 THR 20 3.812 -11.357 3.180 168 1HG2 THR 20 1HG2 THR 20 2.618 -9.957 5.775 169 2HG2 THR 20 2HG2 THR 20 4.081 -10.528 6.582 170 3HG2 THR 20 3HG2 THR 20 3.221 -11.588 5.466 171 H ALA 21 H ALA 21 5.474 -7.778 2.320 172 HA ALA 21 HA ALA 21 8.249 -7.686 3.299 173 1HB ALA 21 1HB ALA 21 8.628 -6.734 0.961 174 2HB ALA 21 2HB ALA 21 6.887 -6.864 0.711 175 3HB ALA 21 3HB ALA 21 7.847 -8.315 0.996 176 H LEU 22 H LEU 22 5.566 -5.428 3.216 177 HA LEU 22 HA LEU 22 7.421 -3.097 3.544 178 1HB LEU 22 1HB LEU 22 5.285 -3.209 2.032 179 2HB LEU 22 2HB LEU 22 4.391 -3.071 3.542 180 HG LEU 22 HG LEU 22 4.729 -0.869 2.459 181 1HD1 LEU 22 1HD1 LEU 22 5.183 0.266 4.432 182 2HD1 LEU 22 2HD1 LEU 22 6.475 -0.842 4.894 183 3HD1 LEU 22 3HD1 LEU 22 4.790 -1.341 5.044 184 1HD2 LEU 22 1HD2 LEU 22 6.796 -0.018 1.880 185 2HD2 LEU 22 2HD2 LEU 22 7.129 -1.736 1.655 186 3HD2 LEU 22 3HD2 LEU 22 7.638 -0.925 3.137 187 H TYR 23 H TYR 23 4.871 -4.932 5.276 188 HA TYR 23 HA TYR 23 5.330 -3.299 7.670 189 1HB TYR 23 1HB TYR 23 3.230 -3.967 8.124 190 2HB TYR 23 2HB TYR 23 3.224 -4.800 6.581 191 HD1 TYR 23 HD1 TYR 23 4.295 -5.287 10.128 192 HD2 TYR 23 HD2 TYR 23 2.847 -7.063 6.512 193 HE1 TYR 23 HE1 TYR 23 4.078 -7.448 11.290 194 HE2 TYR 23 HE2 TYR 23 2.658 -9.228 7.637 195 HH TYR 23 HH TYR 23 3.938 -10.290 9.861 196 H SER 24 H SER 24 6.821 -6.153 6.272 197 HA SER 24 HA SER 24 7.534 -7.657 8.586 198 1HB SER 24 1HB SER 24 8.347 -8.612 6.632 199 2HB SER 24 2HB SER 24 8.784 -7.055 5.933 200 HG SER 24 HG SER 24 10.582 -8.405 6.624 201 H ALA 25 H ALA 25 8.884 -4.585 7.333 202 HA ALA 25 HA ALA 25 10.884 -4.368 9.481 203 1HB ALA 25 1HB ALA 25 9.769 -2.134 7.759 204 2HB ALA 25 2HB ALA 25 10.931 -3.297 7.119 205 3HB ALA 25 3HB ALA 25 11.379 -2.254 8.467 206 H ALA 26 H ALA 26 7.581 -3.108 8.771 207 HA ALA 26 HA ALA 26 7.341 -1.380 11.063 208 1HB ALA 26 1HB ALA 26 5.067 -3.040 9.955 209 2HB ALA 26 2HB ALA 26 5.788 -1.750 8.993 210 3HB ALA 26 3HB ALA 26 5.028 -1.376 10.538 211 H SER 27 H SER 27 6.779 -4.914 10.694 212 HA SER 27 HA SER 27 5.573 -5.437 13.225 213 1HB SER 27 1HB SER 27 6.098 -6.988 11.182 214 2HB SER 27 2HB SER 27 7.643 -7.258 11.983 215 HG SER 27 HG SER 27 6.369 -8.780 12.848 216 H LYS 28 H LYS 28 9.050 -5.160 12.344 217 HA LYS 28 HA LYS 28 10.111 -5.847 14.939 218 1HB LYS 28 1HB LYS 28 11.356 -5.618 12.721 219 2HB LYS 28 2HB LYS 28 11.285 -3.870 12.954 220 1HG LYS 28 1HG LYS 28 12.599 -3.979 14.941 221 2HG LYS 28 2HG LYS 28 12.415 -5.730 15.053 222 1HD LYS 28 1HD LYS 28 14.490 -5.701 14.076 223 2HD LYS 28 2HD LYS 28 13.531 -5.568 12.603 224 1HE LYS 28 1HE LYS 28 15.044 -3.780 12.364 225 2HE LYS 28 2HE LYS 28 13.650 -2.974 13.114 226 1HZ LYS 28 1HZ LYS 28 14.607 -3.250 15.261 227 2HZ LYS 28 2HZ LYS 28 15.803 -2.559 14.271 228 3HZ LYS 28 3HZ LYS 28 15.864 -4.213 14.656 229 H GLN 29 H GLN 29 8.993 -2.724 13.553 230 HA GLN 29 HA GLN 29 9.623 -1.344 16.113 231 1HB GLN 29 1HB GLN 29 8.812 -0.543 13.334 232 2HB GLN 29 2HB GLN 29 8.609 0.603 14.658 233 1HG GLN 29 1HG GLN 29 10.934 0.607 15.155 234 2HG GLN 29 2HG GLN 29 11.221 -0.839 14.185 235 1HE2 GLN 29 1HE2 GLN 29 12.829 0.364 12.837 236 2HE2 GLN 29 2HE2 GLN 29 12.294 1.494 11.690 237 H ASN 30 H ASN 30 6.988 -3.190 15.048 238 HA ASN 30 HA ASN 30 4.821 -3.421 15.892 239 1HB ASN 30 1HB ASN 30 6.278 -2.419 17.965 240 2HB ASN 30 2HB ASN 30 5.100 -1.123 17.758 241 1HD2 ASN 30 1HD2 ASN 30 3.401 -1.480 19.245 242 2HD2 ASN 30 2HD2 ASN 30 2.696 -2.995 19.544 243 H LYS 31 H LYS 31 5.290 -1.838 13.568 244 HA LYS 31 HA LYS 31 3.459 0.494 13.947 245 1HB LYS 31 1HB LYS 31 5.834 -0.093 12.382 246 2HB LYS 31 2HB LYS 31 4.526 0.469 11.345 247 1HG LYS 31 1HG LYS 31 5.431 2.503 11.977 248 2HG LYS 31 2HG LYS 31 4.235 2.287 13.255 249 1HD LYS 31 1HD LYS 31 6.880 1.039 13.755 250 2HD LYS 31 2HD LYS 31 6.860 2.803 13.737 251 1HE LYS 31 1HE LYS 31 4.705 2.459 15.267 252 2HE LYS 31 2HE LYS 31 5.508 0.919 15.632 253 1HZ LYS 31 1HZ LYS 31 6.258 2.764 17.078 254 2HZ LYS 31 2HZ LYS 31 6.850 3.569 15.706 255 3HZ LYS 31 3HZ LYS 31 7.517 2.079 16.174 256 H LEU 32 H LEU 32 2.931 -2.707 13.243 257 HA LEU 32 HA LEU 32 1.623 -2.883 10.747 258 1HB LEU 32 1HB LEU 32 1.238 -4.120 13.449 259 2HB LEU 32 2HB LEU 32 0.027 -4.434 12.205 260 HG LEU 32 HG LEU 32 2.753 -4.631 11.161 261 1HD1 LEU 32 1HD1 LEU 32 2.350 -7.040 12.710 262 2HD1 LEU 32 2HD1 LEU 32 2.480 -5.630 13.762 263 3HD1 LEU 32 3HD1 LEU 32 3.764 -5.989 12.605 264 1HD2 LEU 32 1HD2 LEU 32 0.142 -5.908 10.896 265 2HD2 LEU 32 2HD2 LEU 32 1.440 -7.097 10.937 266 3HD2 LEU 32 3HD2 LEU 32 1.467 -5.810 9.733 267 H GLU 33 H GLU 33 0.468 -1.280 13.736 268 HA GLU 33 HA GLU 33 -2.240 -0.803 12.722 269 1HB GLU 33 1HB GLU 33 -0.571 0.583 14.861 270 2HB GLU 33 2HB GLU 33 -2.296 0.852 14.614 271 1HG GLU 33 1HG GLU 33 -2.879 -1.260 15.389 272 2HG GLU 33 2HG GLU 33 -1.311 -1.956 14.975 273 H GLN 34 H GLN 34 0.830 1.068 12.800 274 HA GLN 34 HA GLN 34 -0.199 3.441 11.487 275 1HB GLN 34 1HB GLN 34 2.529 2.217 11.878 276 2HB GLN 34 2HB GLN 34 2.324 3.697 10.940 277 1HG GLN 34 1HG GLN 34 1.331 3.321 13.780 278 2HG GLN 34 2HG GLN 34 2.835 4.136 13.351 279 1HE2 GLN 34 1HE2 GLN 34 2.683 6.269 12.295 280 2HE2 GLN 34 2HE2 GLN 34 1.210 7.111 12.237 281 H VAL 35 H VAL 35 0.921 0.312 10.219 282 HA VAL 35 HA VAL 35 0.863 1.433 7.456 283 HB VAL 35 HB VAL 35 1.585 -1.415 8.167 284 1HG1 VAL 35 1HG1 VAL 35 1.547 -0.862 5.824 285 2HG1 VAL 35 2HG1 VAL 35 3.239 -0.988 6.311 286 3HG1 VAL 35 3HG1 VAL 35 2.497 0.600 6.099 287 1HG2 VAL 35 1HG2 VAL 35 3.139 -0.611 9.664 288 2HG2 VAL 35 2HG2 VAL 35 3.049 1.031 9.021 289 3HG2 VAL 35 3HG2 VAL 35 4.035 -0.181 8.207 290 H GLU 36 H GLU 36 -0.860 -0.956 9.500 291 HA GLU 36 HA GLU 36 -2.442 -2.055 7.306 292 1HB GLU 36 1HB GLU 36 -1.943 -3.065 9.630 293 2HB GLU 36 2HB GLU 36 -3.220 -2.011 10.229 294 1HG GLU 36 1HG GLU 36 -4.708 -3.003 8.407 295 2HG GLU 36 2HG GLU 36 -3.451 -4.219 8.178 296 H LYS 37 H LYS 37 -2.937 0.632 9.631 297 HA LYS 37 HA LYS 37 -5.730 1.034 8.791 298 1HB LYS 37 1HB LYS 37 -3.769 2.354 10.639 299 2HB LYS 37 2HB LYS 37 -5.182 3.275 10.131 300 1HG LYS 37 1HG LYS 37 -5.694 0.480 10.998 301 2HG LYS 37 2HG LYS 37 -5.205 1.608 12.263 302 1HD LYS 37 1HD LYS 37 -7.283 2.521 10.323 303 2HD LYS 37 2HD LYS 37 -7.765 1.346 11.548 304 1HE LYS 37 1HE LYS 37 -6.211 3.814 12.332 305 2HE LYS 37 2HE LYS 37 -7.978 3.863 12.163 306 1HZ LYS 37 1HZ LYS 37 -8.222 2.102 13.704 307 2HZ LYS 37 2HZ LYS 37 -7.153 3.209 14.425 308 3HZ LYS 37 3HZ LYS 37 -6.557 1.780 13.725 309 H GLU 38 H GLU 38 -2.563 2.551 8.026 310 HA GLU 38 HA GLU 38 -3.749 4.705 6.463 311 1HB GLU 38 1HB GLU 38 -0.989 3.439 6.471 312 2HB GLU 38 2HB GLU 38 -1.391 4.946 5.662 313 1HG GLU 38 1HG GLU 38 -1.936 4.535 8.601 314 2HG GLU 38 2HG GLU 38 -0.381 5.123 8.022 315 H LEU 39 H LEU 39 -2.480 1.441 5.662 316 HA LEU 39 HA LEU 39 -2.677 1.630 2.806 317 1HB LEU 39 1HB LEU 39 -2.659 -0.538 4.858 318 2HB LEU 39 2HB LEU 39 -3.283 -0.976 3.270 319 HG LEU 39 HG LEU 39 -0.677 0.511 3.563 320 1HD1 LEU 39 1HD1 LEU 39 -1.161 -2.482 3.648 321 2HD1 LEU 39 2HD1 LEU 39 -0.395 -1.495 4.893 322 3HD1 LEU 39 3HD1 LEU 39 0.415 -1.749 3.347 323 1HD2 LEU 39 1HD2 LEU 39 -2.189 -0.020 1.375 324 2HD2 LEU 39 2HD2 LEU 39 -1.220 -1.492 1.433 325 3HD2 LEU 39 3HD2 LEU 39 -0.429 0.080 1.323 326 H LEU 40 H LEU 40 -5.185 0.900 5.275 327 HA LEU 40 HA LEU 40 -7.281 0.054 3.532 328 1HB LEU 40 1HB LEU 40 -7.317 0.021 6.034 329 2HB LEU 40 2HB LEU 40 -7.499 1.775 6.029 330 HG LEU 40 HG LEU 40 -9.514 1.159 4.367 331 1HD1 LEU 40 1HD1 LEU 40 -9.077 -1.272 6.113 332 2HD1 LEU 40 2HD1 LEU 40 -9.268 -1.217 4.362 333 3HD1 LEU 40 3HD1 LEU 40 -10.647 -0.885 5.410 334 1HD2 LEU 40 1HD2 LEU 40 -9.514 2.387 6.611 335 2HD2 LEU 40 2HD2 LEU 40 -9.824 0.821 7.359 336 3HD2 LEU 40 3HD2 LEU 40 -10.988 1.501 6.222 337 H ARG 41 H ARG 41 -6.119 3.367 4.258 338 HA ARG 41 HA ARG 41 -8.309 4.832 3.135 339 1HB ARG 41 1HB ARG 41 -5.381 5.317 3.581 340 2HB ARG 41 2HB ARG 41 -6.273 6.472 2.591 341 1HG ARG 41 1HG ARG 41 -7.799 6.961 4.364 342 2HG ARG 41 2HG ARG 41 -7.237 5.588 5.318 343 1HD ARG 41 1HD ARG 41 -4.898 6.811 5.166 344 2HD ARG 41 2HD ARG 41 -5.904 8.242 4.861 345 HE ARG 41 HE ARG 41 -6.183 6.494 7.278 346 1HH1 ARG 41 1HH1 ARG 41 -8.065 8.725 5.820 347 2HH1 ARG 41 2HH1 ARG 41 -7.992 9.926 7.065 348 1HH2 ARG 41 1HH2 ARG 41 -5.425 8.361 8.792 349 2HH2 ARG 41 2HH2 ARG 41 -6.497 9.720 8.748 350 H VAL 42 H VAL 42 -5.339 3.548 1.536 351 HA VAL 42 HA VAL 42 -5.954 4.579 -1.088 352 HB VAL 42 HB VAL 42 -4.406 2.105 -0.222 353 1HG1 VAL 42 1HG1 VAL 42 -3.201 2.678 -2.471 354 2HG1 VAL 42 2HG1 VAL 42 -4.697 3.524 -2.864 355 3HG1 VAL 42 3HG1 VAL 42 -4.724 1.792 -2.530 356 1HG2 VAL 42 1HG2 VAL 42 -3.793 5.022 -0.424 357 2HG2 VAL 42 2HG2 VAL 42 -2.522 3.886 -0.875 358 3HG2 VAL 42 3HG2 VAL 42 -3.218 3.834 0.745 359 H GLY 43 H GLY 43 -6.878 1.507 0.534 360 1HA GLY 43 1HA GLY 43 -8.161 0.358 -1.774 361 2HA GLY 43 2HA GLY 43 -8.442 -0.124 -0.099 362 H GLN 44 H GLN 44 -9.406 2.261 1.020 363 HA GLN 44 HA GLN 44 -12.171 2.252 0.251 364 1HB GLN 44 1HB GLN 44 -10.377 3.990 1.906 365 2HB GLN 44 2HB GLN 44 -11.964 4.630 1.480 366 1HG GLN 44 1HG GLN 44 -12.678 2.137 2.243 367 2HG GLN 44 2HG GLN 44 -11.253 2.356 3.258 368 1HE2 GLN 44 1HE2 GLN 44 -12.610 2.559 5.234 369 2HE2 GLN 44 2HE2 GLN 44 -13.519 3.965 5.508 370 H ILE 45 H ILE 45 -9.464 4.363 -0.797 371 HA ILE 45 HA ILE 45 -11.007 6.312 -2.228 372 HB ILE 45 HB ILE 45 -8.222 5.157 -2.686 373 1HG1 ILE 45 1HG1 ILE 45 -8.869 7.870 -1.564 374 2HG1 ILE 45 2HG1 ILE 45 -8.970 6.451 -0.524 375 1HG2 ILE 45 1HG2 ILE 45 -9.185 7.832 -3.716 376 2HG2 ILE 45 2HG2 ILE 45 -9.286 6.379 -4.709 377 3HG2 ILE 45 3HG2 ILE 45 -7.718 6.958 -4.150 378 1HD1 ILE 45 1HD1 ILE 45 -6.519 6.474 -2.124 379 2HD1 ILE 45 2HD1 ILE 45 -6.720 6.280 -0.383 380 3HD1 ILE 45 3HD1 ILE 45 -6.659 7.894 -1.088 381 H LEU 46 H LEU 46 -9.743 3.119 -3.305 382 HA LEU 46 HA LEU 46 -10.918 3.455 -5.980 383 1HB LEU 46 1HB LEU 46 -8.897 2.075 -5.565 384 2HB LEU 46 2HB LEU 46 -9.856 0.981 -4.569 385 HG LEU 46 HG LEU 46 -11.294 0.464 -6.506 386 1HD1 LEU 46 1HD1 LEU 46 -10.543 1.266 -8.771 387 2HD1 LEU 46 2HD1 LEU 46 -9.418 2.355 -7.960 388 3HD1 LEU 46 3HD1 LEU 46 -11.156 2.555 -7.733 389 1HD2 LEU 46 1HD2 LEU 46 -9.229 -0.390 -8.009 390 2HD2 LEU 46 2HD2 LEU 46 -9.654 -1.146 -6.471 391 3HD2 LEU 46 3HD2 LEU 46 -8.346 0.036 -6.542 392 H LYS 47 H LYS 47 -12.060 2.210 -2.865 393 HA LYS 47 HA LYS 47 -14.250 0.632 -3.966 394 1HB LYS 47 1HB LYS 47 -13.075 0.853 -1.514 395 2HB LYS 47 2HB LYS 47 -14.500 1.863 -1.265 396 1HG LYS 47 1HG LYS 47 -15.350 -0.226 -0.702 397 2HG LYS 47 2HG LYS 47 -15.748 -0.163 -2.420 398 1HD LYS 47 1HD LYS 47 -14.173 -1.731 -2.984 399 2HD LYS 47 2HD LYS 47 -13.054 -1.212 -1.724 400 1HE LYS 47 1HE LYS 47 -13.737 -3.213 -0.776 401 2HE LYS 47 2HE LYS 47 -15.045 -2.180 -0.165 402 1HZ LYS 47 1HZ LYS 47 -15.998 -4.065 -1.293 403 2HZ LYS 47 2HZ LYS 47 -15.070 -3.760 -2.683 404 3HZ LYS 47 3HZ LYS 47 -16.287 -2.671 -2.215 405 H GLU 48 H GLU 48 -13.776 4.055 -3.011 406 HA GLU 48 HA GLU 48 -16.484 4.887 -2.941 407 1HB GLU 48 1HB GLU 48 -13.845 6.128 -3.504 408 2HB GLU 48 2HB GLU 48 -15.246 7.037 -4.063 409 1HG GLU 48 1HG GLU 48 -16.109 6.357 -1.592 410 2HG GLU 48 2HG GLU 48 -14.372 6.427 -1.293 411 HA PRO 49 HA PRO 49 -17.682 4.158 -7.160 412 1HB PRO 49 1HB PRO 49 -19.993 5.620 -7.233 413 2HB PRO 49 2HB PRO 49 -19.869 4.046 -6.422 414 1HG PRO 49 1HG PRO 49 -19.825 6.783 -5.261 415 2HG PRO 49 2HG PRO 49 -20.567 5.303 -4.636 416 1HD PRO 49 1HD PRO 49 -18.199 6.319 -3.725 417 2HD PRO 49 2HD PRO 49 -18.633 4.597 -3.648 418 H LYS 50 H LYS 50 -17.761 7.549 -5.951 419 HA LYS 50 HA LYS 50 -17.569 8.683 -8.661 420 1HB LYS 50 1HB LYS 50 -18.530 9.807 -6.561 421 2HB LYS 50 2HB LYS 50 -16.864 10.004 -6.016 422 1HG LYS 50 1HG LYS 50 -17.322 12.037 -7.118 423 2HG LYS 50 2HG LYS 50 -16.458 11.097 -8.335 424 1HD LYS 50 1HD LYS 50 -18.852 10.280 -9.021 425 2HD LYS 50 2HD LYS 50 -19.394 11.725 -8.168 426 1HE LYS 50 1HE LYS 50 -17.522 12.919 -9.607 427 2HE LYS 50 2HE LYS 50 -17.748 11.516 -10.672 428 1HZ LYS 50 1HZ LYS 50 -19.994 13.125 -9.590 429 2HZ LYS 50 2HZ LYS 50 -20.067 11.926 -10.790 430 3HZ LYS 50 3HZ LYS 50 -19.301 13.409 -11.111 431 H MET 51 H MET 51 -15.330 8.096 -5.930 432 HA MET 51 HA MET 51 -12.948 9.097 -7.221 433 1HB MET 51 1HB MET 51 -13.341 8.574 -4.760 434 2HB MET 51 2HB MET 51 -13.169 6.871 -5.179 435 1HG MET 51 1HG MET 51 -11.034 7.674 -4.418 436 2HG MET 51 2HG MET 51 -10.929 7.400 -6.155 437 1HE MET 51 1HE MET 51 -8.538 10.136 -5.579 438 2HE MET 51 2HE MET 51 -9.069 9.571 -7.161 439 3HE MET 51 3HE MET 51 -8.909 8.425 -5.832 440 H ALA 52 H ALA 52 -14.555 5.881 -7.255 441 HA ALA 52 HA ALA 52 -12.470 4.348 -8.452 442 1HB ALA 52 1HB ALA 52 -14.296 3.052 -7.840 443 2HB ALA 52 2HB ALA 52 -14.657 3.230 -9.558 444 3HB ALA 52 3HB ALA 52 -15.463 4.263 -8.375 445 H ALA 53 H ALA 53 -14.877 6.520 -9.993 446 HA ALA 53 HA ALA 53 -14.177 5.877 -12.725 447 1HB ALA 53 1HB ALA 53 -15.233 8.159 -13.159 448 2HB ALA 53 2HB ALA 53 -15.381 8.332 -11.407 449 3HB ALA 53 3HB ALA 53 -16.237 7.032 -12.241 450 H SER 54 H SER 54 -12.728 8.149 -10.365 451 HA SER 54 HA SER 54 -10.972 9.317 -12.457 452 1HB SER 54 1HB SER 54 -10.952 9.726 -9.448 453 2HB SER 54 2HB SER 54 -10.253 10.788 -10.668 454 HG SER 54 HG SER 54 -12.462 11.259 -9.755 455 H LEU 55 H LEU 55 -10.666 7.140 -9.609 456 HA LEU 55 HA LEU 55 -7.804 6.915 -9.641 457 1HB LEU 55 1HB LEU 55 -9.758 5.946 -8.057 458 2HB LEU 55 2HB LEU 55 -9.445 4.497 -9.015 459 HG LEU 55 HG LEU 55 -7.009 4.737 -8.483 460 1HD1 LEU 55 1HD1 LEU 55 -6.507 6.892 -7.883 461 2HD1 LEU 55 2HD1 LEU 55 -6.833 6.271 -6.265 462 3HD1 LEU 55 3HD1 LEU 55 -8.082 7.161 -7.137 463 1HD2 LEU 55 1HD2 LEU 55 -9.154 4.222 -6.492 464 2HD2 LEU 55 2HD2 LEU 55 -7.530 4.421 -5.839 465 3HD2 LEU 55 3HD2 LEU 55 -7.851 3.168 -7.037 466 H LEU 56 H LEU 56 -10.297 5.190 -11.565 467 HA LEU 56 HA LEU 56 -8.077 3.829 -13.053 468 1HB LEU 56 1HB LEU 56 -9.737 2.402 -11.876 469 2HB LEU 56 2HB LEU 56 -11.034 3.173 -12.786 470 HG LEU 56 HG LEU 56 -8.936 2.191 -14.565 471 1HD1 LEU 56 1HD1 LEU 56 -8.497 0.438 -13.025 472 2HD1 LEU 56 2HD1 LEU 56 -9.626 -0.254 -14.189 473 3HD1 LEU 56 3HD1 LEU 56 -10.202 0.271 -12.607 474 1HD2 LEU 56 1HD2 LEU 56 -11.566 2.765 -14.780 475 2HD2 LEU 56 2HD2 LEU 56 -11.680 1.023 -14.519 476 3HD2 LEU 56 3HD2 LEU 56 -10.749 1.653 -15.878 477 H ASN 57 H ASN 57 -8.939 6.655 -13.596 478 HA ASN 57 HA ASN 57 -10.544 6.419 -16.070 479 1HB ASN 57 1HB ASN 57 -10.328 8.328 -14.129 480 2HB ASN 57 2HB ASN 57 -9.238 8.981 -15.351 481 1HD2 ASN 57 1HD2 ASN 57 -12.563 7.504 -15.192 482 2HD2 ASN 57 2HD2 ASN 57 -13.217 8.546 -16.362 483 HA PRO 58 HA PRO 58 -6.707 6.090 -18.380 484 1HB PRO 58 1HB PRO 58 -7.801 6.023 -20.881 485 2HB PRO 58 2HB PRO 58 -7.773 4.616 -19.801 486 1HG PRO 58 1HG PRO 58 -10.000 6.480 -20.421 487 2HG PRO 58 2HG PRO 58 -10.033 4.735 -20.131 488 1HD PRO 58 1HD PRO 58 -10.758 6.621 -18.277 489 2HD PRO 58 2HD PRO 58 -10.189 4.988 -17.872 490 H TYR 59 H TYR 59 -8.887 8.743 -18.289 491 HA TYR 59 HA TYR 59 -7.581 10.339 -20.383 492 1HB TYR 59 1HB TYR 59 -9.719 10.889 -18.296 493 2HB TYR 59 2HB TYR 59 -9.253 12.029 -19.566 494 HD1 TYR 59 HD1 TYR 59 -9.777 11.593 -21.909 495 HD2 TYR 59 HD2 TYR 59 -10.922 8.800 -18.839 496 HE1 TYR 59 HE1 TYR 59 -11.268 10.432 -23.514 497 HE2 TYR 59 HE2 TYR 59 -12.402 7.646 -20.448 498 HH TYR 59 HH TYR 59 -12.212 7.883 -23.633 499 H VAL 60 H VAL 60 -6.817 9.626 -17.080 500 HA VAL 60 HA VAL 60 -5.573 12.316 -16.679 501 HB VAL 60 HB VAL 60 -5.973 9.989 -14.764 502 1HG1 VAL 60 1HG1 VAL 60 -4.811 12.724 -14.540 503 2HG1 VAL 60 2HG1 VAL 60 -4.383 11.247 -13.679 504 3HG1 VAL 60 3HG1 VAL 60 -5.810 12.164 -13.199 505 1HG2 VAL 60 1HG2 VAL 60 -7.692 11.889 -13.906 506 2HG2 VAL 60 2HG2 VAL 60 -8.164 10.630 -15.048 507 3HG2 VAL 60 3HG2 VAL 60 -7.727 12.235 -15.636 508 H LYS 61 H LYS 61 -4.445 9.940 -18.431 509 HA LYS 61 HA LYS 61 -2.348 8.927 -18.797 510 1HB LYS 61 1HB LYS 61 -1.976 11.606 -17.569 511 2HB LYS 61 2HB LYS 61 -0.545 10.577 -17.616 512 1HG LYS 61 1HG LYS 61 -1.243 10.154 -20.102 513 2HG LYS 61 2HG LYS 61 -2.184 11.634 -19.905 514 1HD LYS 61 1HD LYS 61 -0.239 12.921 -19.396 515 2HD LYS 61 2HD LYS 61 0.749 11.474 -19.184 516 1HE LYS 61 1HE LYS 61 1.069 11.209 -21.442 517 2HE LYS 61 2HE LYS 61 -0.570 11.766 -21.838 518 1HZ LYS 61 1HZ LYS 61 1.592 13.522 -20.803 519 2HZ LYS 61 2HZ LYS 61 0.051 14.008 -21.332 520 3HZ LYS 61 3HZ LYS 61 1.179 13.391 -22.442 521 H ARG 62 H ARG 62 -0.088 8.470 -17.379 522 HA ARG 62 HA ARG 62 -1.069 7.123 -14.883 523 1HB ARG 62 1HB ARG 62 -0.005 5.901 -16.923 524 2HB ARG 62 2HB ARG 62 1.519 6.578 -16.345 525 1HG ARG 62 1HG ARG 62 0.463 5.577 -14.019 526 2HG ARG 62 2HG ARG 62 -0.134 4.411 -15.199 527 1HD ARG 62 1HD ARG 62 2.700 5.143 -15.591 528 2HD ARG 62 2HD ARG 62 2.368 4.302 -14.063 529 HE ARG 62 HE ARG 62 1.793 2.378 -15.313 530 1HH1 ARG 62 1HH2 ARG 62 -0.345 3.539 -16.986 531 2HH1 ARG 62 2HH2 ARG 62 0.311 3.429 -18.585 532 1HH2 ARG 62 1HH1 ARG 62 3.570 2.951 -17.502 533 2HH2 ARG 62 2HH1 ARG 62 2.528 3.095 -18.877 534 H SER 63 H SER 63 1.885 8.785 -16.162 535 HA SER 63 HA SER 63 3.151 9.171 -13.615 536 1HB SER 63 1HB SER 63 4.104 9.522 -15.968 537 2HB SER 63 2HB SER 63 3.279 11.078 -15.974 538 HG SER 63 HG SER 63 4.527 11.738 -14.283 539 H VAL 64 H VAL 64 0.782 11.223 -15.380 540 HA VAL 64 HA VAL 64 0.829 13.438 -13.525 541 HB VAL 64 HB VAL 64 -1.428 12.381 -15.279 542 1HG1 VAL 64 1HG1 VAL 64 -2.507 13.946 -13.945 543 2HG1 VAL 64 2HG1 VAL 64 -1.885 14.997 -15.218 544 3HG1 VAL 64 3HG1 VAL 64 -1.037 14.884 -13.675 545 1HG2 VAL 64 1HG2 VAL 64 -0.515 14.387 -16.709 546 2HG2 VAL 64 2HG2 VAL 64 0.324 12.836 -16.768 547 3HG2 VAL 64 3HG2 VAL 64 0.959 14.146 -15.772 548 H LYS 65 H LYS 65 -1.187 10.457 -13.644 549 HA LYS 65 HA LYS 65 -2.851 11.083 -11.381 550 1HB LYS 65 1HB LYS 65 -3.006 9.171 -13.138 551 2HB LYS 65 2HB LYS 65 -1.899 8.297 -12.078 552 1HG LYS 65 1HG LYS 65 -3.946 7.605 -11.221 553 2HG LYS 65 2HG LYS 65 -3.627 9.013 -10.207 554 1HD LYS 65 1HD LYS 65 -5.037 9.487 -12.792 555 2HD LYS 65 2HD LYS 65 -5.953 8.706 -11.503 556 1HE LYS 65 1HE LYS 65 -4.914 10.654 -10.022 557 2HE LYS 65 2HE LYS 65 -4.802 11.473 -11.592 558 1HZ LYS 65 1HZ LYS 65 -6.965 11.900 -10.736 559 2HZ LYS 65 2HZ LYS 65 -7.217 10.261 -10.361 560 3HZ LYS 65 3HZ LYS 65 -7.145 10.764 -11.983 561 H VAL 66 H VAL 66 0.378 9.519 -11.578 562 HA VAL 66 HA VAL 66 0.591 8.737 -8.824 563 HB VAL 66 HB VAL 66 2.734 9.680 -10.771 564 1HG1 VAL 66 1HG1 VAL 66 3.029 7.907 -8.329 565 2HG1 VAL 66 2HG1 VAL 66 3.428 9.625 -8.347 566 3HG1 VAL 66 3HG1 VAL 66 4.321 8.503 -9.372 567 1HG2 VAL 66 1HG2 VAL 66 2.387 6.803 -10.169 568 2HG2 VAL 66 2HG2 VAL 66 2.677 7.603 -11.713 569 3HG2 VAL 66 3HG2 VAL 66 1.046 7.536 -11.049 570 H LYS 67 H LYS 67 1.349 11.865 -10.433 571 HA LYS 67 HA LYS 67 2.509 13.189 -8.167 572 1HB LYS 67 1HB LYS 67 2.273 13.922 -10.658 573 2HB LYS 67 2HB LYS 67 0.703 14.561 -10.168 574 1HG LYS 67 1HG LYS 67 2.034 16.419 -9.784 575 2HG LYS 67 2HG LYS 67 2.130 15.637 -8.206 576 1HD LYS 67 1HD LYS 67 4.165 14.365 -9.406 577 2HD LYS 67 2HD LYS 67 4.200 15.861 -10.339 578 1HE LYS 67 1HE LYS 67 4.057 15.939 -7.321 579 2HE LYS 67 2HE LYS 67 5.614 15.795 -8.163 580 1HZ LYS 67 1HZ LYS 67 3.564 17.910 -8.532 581 2HZ LYS 67 2HZ LYS 67 4.893 17.700 -9.568 582 3HZ LYS 67 3HZ LYS 67 5.139 18.106 -7.936 583 H SER 68 H SER 68 -0.931 12.840 -9.154 584 HA SER 68 HA SER 68 -2.075 14.544 -7.147 585 1HB SER 68 1HB SER 68 -3.328 11.962 -8.109 586 2HB SER 68 2HB SER 68 -4.130 13.479 -7.707 587 HG SER 68 HG SER 68 -3.908 13.152 -9.976 588 H LEU 69 H LEU 69 -1.133 11.076 -7.005 589 HA LEU 69 HA LEU 69 -2.213 10.518 -4.397 590 1HB LEU 69 1HB LEU 69 0.193 9.413 -5.889 591 2HB LEU 69 2HB LEU 69 -0.436 8.706 -4.400 592 HG LEU 69 HG LEU 69 -2.127 9.147 -6.873 593 1HD1 LEU 69 1HD1 LEU 69 -0.504 6.764 -5.967 594 2HD1 LEU 69 2HD1 LEU 69 -0.495 7.551 -7.545 595 3HD1 LEU 69 3HD1 LEU 69 -1.890 6.594 -7.044 596 1HD2 LEU 69 1HD2 LEU 69 -3.354 7.198 -5.546 597 2HD2 LEU 69 2HD2 LEU 69 -3.620 8.887 -5.115 598 3HD2 LEU 69 3HD2 LEU 69 -2.500 7.903 -4.173 599 H SER 70 H SER 70 1.081 11.639 -5.363 600 HA SER 70 HA SER 70 2.126 11.846 -2.683 601 1HB SER 70 1HB SER 70 3.632 11.930 -4.563 602 2HB SER 70 2HB SER 70 2.759 13.280 -5.285 603 HG SER 70 HG SER 70 3.590 14.625 -3.800 604 H ASP 71 H ASP 71 0.489 14.286 -4.774 605 HA ASP 71 HA ASP 71 0.587 16.398 -2.774 606 1HB ASP 71 1HB ASP 71 0.034 16.312 -5.416 607 2HB ASP 71 2HB ASP 71 -1.615 16.323 -4.791 608 H MET 72 H MET 72 -1.531 13.600 -3.156 609 HA MET 72 HA MET 72 -3.644 14.772 -1.429 610 1HB MET 72 1HB MET 72 -4.099 13.166 -3.340 611 2HB MET 72 2HB MET 72 -3.252 11.919 -2.423 612 1HG MET 72 1HG MET 72 -4.870 12.333 -0.529 613 2HG MET 72 2HG MET 72 -5.779 13.384 -1.616 614 1HE MET 72 1HE MET 72 -5.063 8.931 -1.695 615 2HE MET 72 2HE MET 72 -4.018 10.233 -1.130 616 3HE MET 72 3HE MET 72 -4.014 9.786 -2.834 617 H THR 73 H THR 73 -1.087 12.261 -1.321 618 HA THR 73 HA THR 73 -1.435 11.353 1.354 619 HB THR 73 HB THR 73 0.809 11.563 -0.637 620 HG1 THR 73 HG1 THR 73 -0.494 9.806 -0.759 621 1HG2 THR 73 1HG2 THR 73 1.209 11.109 2.297 622 2HG2 THR 73 2HG2 THR 73 2.218 11.991 1.150 623 3HG2 THR 73 3HG2 THR 73 2.201 10.228 1.134 624 H ALA 74 H ALA 74 0.204 14.315 0.113 625 HA ALA 74 HA ALA 74 1.410 15.184 2.567 626 1HB ALA 74 1HB ALA 74 0.099 16.997 0.517 627 2HB ALA 74 2HB ALA 74 1.618 16.160 0.197 628 3HB ALA 74 3HB ALA 74 1.519 17.337 1.505 629 H LYS 75 H LYS 75 -1.935 15.632 1.333 630 HA LYS 75 HA LYS 75 -2.722 17.125 3.775 631 1HB LYS 75 1HB LYS 75 -4.129 16.191 1.259 632 2HB LYS 75 2HB LYS 75 -5.007 16.949 2.589 633 1HG LYS 75 1HG LYS 75 -2.545 18.311 1.573 634 2HG LYS 75 2HG LYS 75 -4.011 18.408 0.596 635 1HD LYS 75 1HD LYS 75 -5.224 19.135 2.719 636 2HD LYS 75 2HD LYS 75 -3.632 19.316 3.457 637 1HE LYS 75 1HE LYS 75 -3.879 21.465 2.622 638 2HE LYS 75 2HE LYS 75 -3.207 20.697 1.170 639 1HZ LYS 75 1HZ LYS 75 -6.102 20.874 1.820 640 2HZ LYS 75 2HZ LYS 75 -5.428 20.197 0.415 641 3HZ LYS 75 3HZ LYS 75 -5.300 21.867 0.703 642 H GLU 76 H GLU 76 -3.100 13.836 2.398 643 HA GLU 76 HA GLU 76 -5.069 12.846 4.230 644 1HB GLU 76 1HB GLU 76 -3.876 11.833 2.081 645 2HB GLU 76 2HB GLU 76 -2.818 11.102 3.289 646 1HG GLU 76 1HG GLU 76 -4.520 9.816 4.203 647 2HG GLU 76 2HG GLU 76 -5.781 10.938 3.694 648 H LYS 77 H LYS 77 -1.644 13.568 4.793 649 HA LYS 77 HA LYS 77 -0.382 13.454 6.764 650 1HB LYS 77 1HB LYS 77 -3.097 13.765 7.523 651 2HB LYS 77 2HB LYS 77 -2.452 12.501 8.568 652 1HG LYS 77 1HG LYS 77 -1.699 14.252 9.819 653 2HG LYS 77 2HG LYS 77 -0.402 14.304 8.625 654 1HD LYS 77 1HD LYS 77 -1.256 16.535 8.767 655 2HD LYS 77 2HD LYS 77 -1.890 15.865 7.264 656 1HE LYS 77 1HE LYS 77 -3.850 15.106 9.015 657 2HE LYS 77 2HE LYS 77 -3.339 16.652 9.721 658 1HZ LYS 77 1HZ LYS 77 -5.005 16.955 7.959 659 2HZ LYS 77 2HZ LYS 77 -3.958 16.212 6.846 660 3HZ LYS 77 3HZ LYS 77 -3.528 17.691 7.566 661 H PHE 78 H PHE 78 -0.380 11.195 5.041 662 HA PHE 78 HA PHE 78 -0.963 8.681 6.277 663 1HB PHE 78 1HB PHE 78 0.838 9.683 4.123 664 2HB PHE 78 2HB PHE 78 1.229 8.097 4.786 665 HD1 PHE 78 HD1 PHE 78 -0.434 9.524 2.165 666 HD2 PHE 78 HD2 PHE 78 -1.170 6.772 5.381 667 HE1 PHE 78 HE1 PHE 78 -2.298 8.514 0.873 668 HE2 PHE 78 HE2 PHE 78 -3.037 5.764 4.090 669 HZ PHE 78 HZ PHE 78 -3.599 6.631 1.836 670 H SER 79 H SER 79 1.240 7.145 6.715 671 HA SER 79 HA SER 79 2.623 8.570 8.935 672 1HB SER 79 1HB SER 79 2.287 5.595 8.766 673 2HB SER 79 2HB SER 79 2.338 6.627 10.190 674 HG SER 79 HG SER 79 0.231 6.076 9.909 675 HA PRO 80 HA PRO 80 6.475 7.359 7.239 676 1HB PRO 80 1HB PRO 80 7.817 5.723 8.953 677 2HB PRO 80 2HB PRO 80 7.567 7.455 9.237 678 1HG PRO 80 1HG PRO 80 6.206 5.129 10.444 679 2HG PRO 80 2HG PRO 80 6.570 6.714 11.137 680 1HD PRO 80 1HD PRO 80 4.110 5.895 10.184 681 2HD PRO 80 2HD PRO 80 4.592 7.582 10.454 682 H LEU 81 H LEU 81 4.258 4.740 7.660 683 HA LEU 81 HA LEU 81 5.985 3.033 5.917 684 1HB LEU 81 1HB LEU 81 4.083 2.515 8.179 685 2HB LEU 81 2HB LEU 81 4.190 1.310 6.883 686 HG LEU 81 HG LEU 81 6.809 2.325 7.824 687 1HD1 LEU 81 1HD1 LEU 81 6.827 1.384 9.947 688 2HD1 LEU 81 2HD1 LEU 81 5.448 0.341 9.606 689 3HD1 LEU 81 3HD1 LEU 81 5.201 2.064 9.887 690 1HD2 LEU 81 1HD2 LEU 81 5.540 -0.207 6.894 691 2HD2 LEU 81 2HD2 LEU 81 6.932 -0.364 7.966 692 3HD2 LEU 81 3HD2 LEU 81 7.087 0.509 6.441 693 H THR 82 H THR 82 4.005 5.308 5.184 694 HA THR 82 HA THR 82 2.437 3.646 3.300 695 HB THR 82 HB THR 82 1.097 5.956 4.698 696 HG1 THR 82 HG1 THR 82 1.690 4.864 6.464 697 1HG2 THR 82 1HG2 THR 82 -0.534 5.094 3.371 698 2HG2 THR 82 2HG2 THR 82 -0.531 3.672 4.405 699 3HG2 THR 82 3HG2 THR 82 0.447 3.700 2.946 700 H SER 83 H SER 83 4.834 5.552 3.036 701 HA SER 83 HA SER 83 3.597 7.226 0.896 702 1HB SER 83 1HB SER 83 5.834 8.059 2.801 703 2HB SER 83 2HB SER 83 5.107 9.072 1.558 704 HG SER 83 HG SER 83 3.251 9.161 2.710 705 H ASN 84 H ASN 84 4.445 4.841 0.378 706 HA ASN 84 HA ASN 84 6.678 5.118 -1.480 707 1HB ASN 84 1HB ASN 84 7.375 4.611 1.148 708 2HB ASN 84 2HB ASN 84 7.232 2.978 0.495 709 1HD2 ASN 84 1HD2 ASN 84 8.615 6.153 -0.644 710 2HD2 ASN 84 2HD2 ASN 84 10.037 5.455 -1.253 711 H LEU 85 H LEU 85 4.972 2.687 0.564 712 HA LEU 85 HA LEU 85 4.623 0.671 -1.443 713 1HB LEU 85 1HB LEU 85 4.217 0.325 0.979 714 2HB LEU 85 2HB LEU 85 2.874 1.462 0.931 715 HG LEU 85 HG LEU 85 1.714 -0.015 -0.706 716 1HD1 LEU 85 1HD1 LEU 85 3.405 -1.217 -1.806 717 2HD1 LEU 85 2HD1 LEU 85 2.716 -2.430 -0.726 718 3HD1 LEU 85 3HD1 LEU 85 4.226 -1.626 -0.299 719 1HD2 LEU 85 1HD2 LEU 85 1.526 -0.202 1.867 720 2HD2 LEU 85 2HD2 LEU 85 2.519 -1.650 1.704 721 3HD2 LEU 85 3HD2 LEU 85 0.944 -1.568 0.913 722 H ILE 86 H ILE 86 2.862 3.765 -0.822 723 HA ILE 86 HA ILE 86 0.545 3.152 -2.429 724 HB ILE 86 HB ILE 86 1.955 5.774 -1.800 725 1HG1 ILE 86 1HG1 ILE 86 -0.499 4.411 -0.634 726 2HG1 ILE 86 2HG1 ILE 86 1.076 4.535 0.146 727 1HG2 ILE 86 1HG2 ILE 86 -0.847 5.351 -2.903 728 2HG2 ILE 86 2HG2 ILE 86 0.521 5.933 -3.852 729 3HG2 ILE 86 3HG2 ILE 86 -0.098 6.900 -2.514 730 1HD1 ILE 86 1HD1 ILE 86 -0.808 6.802 -0.549 731 2HD1 ILE 86 2HD1 ILE 86 0.851 7.050 -0.005 732 3HD1 ILE 86 3HD1 ILE 86 -0.319 6.276 1.063 733 H ASN 87 H ASN 87 3.769 4.492 -3.287 734 HA ASN 87 HA ASN 87 3.266 5.138 -6.020 735 1HB ASN 87 1HB ASN 87 5.397 5.371 -4.474 736 2HB ASN 87 2HB ASN 87 5.832 3.808 -5.167 737 1HD2 ASN 87 1HD2 ASN 87 5.925 7.210 -5.746 738 2HD2 ASN 87 2HD2 ASN 87 6.341 7.137 -7.391 739 H LEU 88 H LEU 88 4.467 2.003 -4.677 740 HA LEU 88 HA LEU 88 4.584 0.489 -7.062 741 1HB LEU 88 1HB LEU 88 3.972 -0.118 -4.184 742 2HB LEU 88 2HB LEU 88 3.770 -1.404 -5.374 743 HG LEU 88 HG LEU 88 6.287 0.159 -5.573 744 1HD1 LEU 88 1HD1 LEU 88 6.400 -0.000 -3.231 745 2HD1 LEU 88 2HD1 LEU 88 7.225 -1.468 -3.758 746 3HD1 LEU 88 3HD1 LEU 88 5.553 -1.547 -3.201 747 1HD2 LEU 88 1HD2 LEU 88 7.115 -2.276 -5.802 748 2HD2 LEU 88 2HD2 LEU 88 6.043 -1.674 -7.067 749 3HD2 LEU 88 3HD2 LEU 88 5.410 -2.726 -5.801 750 H LEU 89 H LEU 89 1.705 1.223 -5.043 751 HA LEU 89 HA LEU 89 -0.132 -0.436 -6.544 752 1HB LEU 89 1HB LEU 89 -0.558 2.077 -4.884 753 2HB LEU 89 2HB LEU 89 -1.861 1.037 -5.456 754 HG LEU 89 HG LEU 89 0.421 0.168 -3.652 755 1HD1 LEU 89 1HD1 LEU 89 -1.461 -0.126 -1.995 756 2HD1 LEU 89 2HD1 LEU 89 -2.512 0.728 -3.128 757 3HD1 LEU 89 3HD1 LEU 89 -1.125 1.554 -2.416 758 1HD2 LEU 89 1HD2 LEU 89 -1.951 -1.287 -4.847 759 2HD2 LEU 89 2HD2 LEU 89 -1.082 -1.895 -3.438 760 3HD2 LEU 89 3HD2 LEU 89 -0.245 -1.709 -4.980 761 H ALA 90 H ALA 90 0.908 2.985 -6.905 762 HA ALA 90 HA ALA 90 -0.703 3.123 -9.429 763 1HB ALA 90 1HB ALA 90 -1.289 5.053 -8.378 764 2HB ALA 90 2HB ALA 90 0.288 5.646 -8.900 765 3HB ALA 90 3HB ALA 90 0.090 4.973 -7.282 766 H GLU 91 H GLU 91 2.047 1.748 -9.123 767 HA GLU 91 HA GLU 91 3.706 3.585 -10.815 768 1HB GLU 91 1HB GLU 91 4.706 2.625 -8.763 769 2HB GLU 91 2HB GLU 91 4.362 0.999 -9.354 770 1HG GLU 91 1HG GLU 91 5.958 1.154 -11.074 771 2HG GLU 91 2HG GLU 91 5.989 2.916 -11.012 772 H ASN 92 H ASN 92 2.596 0.135 -10.730 773 HA ASN 92 HA ASN 92 2.980 0.089 -13.710 774 1HB ASN 92 1HB ASN 92 3.379 -1.902 -11.490 775 2HB ASN 92 2HB ASN 92 3.093 -2.470 -13.136 776 1HD2 ASN 92 1HD2 ASN 92 5.636 -1.955 -11.119 777 2HD2 ASN 92 2HD2 ASN 92 6.799 -1.425 -12.235 778 H GLY 93 H GLY 93 0.471 0.957 -12.226 779 1HA GLY 93 1HA GLY 93 -1.819 0.663 -12.680 780 2HA GLY 93 2HA GLY 93 -1.402 -0.722 -13.695 781 H ARG 94 H ARG 94 -0.774 -0.045 -10.207 782 HA ARG 94 HA ARG 94 -1.961 -2.733 -9.647 783 1HB ARG 94 1HB ARG 94 0.231 -1.061 -8.465 784 2HB ARG 94 2HB ARG 94 -0.563 -2.271 -7.457 785 1HG ARG 94 1HG ARG 94 0.563 -2.903 -10.194 786 2HG ARG 94 2HG ARG 94 1.497 -3.086 -8.708 787 1HD ARG 94 1HD ARG 94 -0.800 -4.396 -8.014 788 2HD ARG 94 2HD ARG 94 -0.713 -4.757 -9.750 789 HE ARG 94 HE ARG 94 1.275 -5.562 -7.722 790 1HH1 ARG 94 1HH2 ARG 94 0.109 -7.296 -9.937 791 2HH1 ARG 94 2HH2 ARG 94 1.456 -7.414 -11.017 792 1HH2 ARG 94 1HH1 ARG 94 3.173 -4.762 -9.586 793 2HH2 ARG 94 2HH1 ARG 94 3.192 -5.979 -10.819 794 H LEU 95 H LEU 95 -3.486 -0.017 -9.810 795 HA LEU 95 HA LEU 95 -4.457 0.062 -6.972 796 1HB LEU 95 1HB LEU 95 -4.335 2.000 -9.270 797 2HB LEU 95 2HB LEU 95 -5.591 2.214 -8.050 798 HG LEU 95 HG LEU 95 -2.648 1.920 -7.390 799 1HD1 LEU 95 1HD1 LEU 95 -4.358 4.408 -7.684 800 2HD1 LEU 95 2HD1 LEU 95 -2.949 3.978 -8.655 801 3HD1 LEU 95 3HD1 LEU 95 -2.754 4.385 -6.949 802 1HD2 LEU 95 1HD2 LEU 95 -3.519 3.014 -5.232 803 2HD2 LEU 95 2HD2 LEU 95 -3.982 1.333 -5.503 804 3HD2 LEU 95 3HD2 LEU 95 -5.136 2.628 -5.822 805 H THR 96 H THR 96 -5.172 -2.071 -8.908 806 HA THR 96 HA THR 96 -8.089 -1.510 -9.322 807 HB THR 96 HB THR 96 -7.912 -3.369 -10.969 808 HG1 THR 96 HG1 THR 96 -5.955 -4.345 -11.306 809 1HG2 THR 96 1HG2 THR 96 -7.525 -1.261 -11.958 810 2HG2 THR 96 2HG2 THR 96 -6.151 -2.235 -12.484 811 3HG2 THR 96 3HG2 THR 96 -5.961 -1.080 -11.163 812 H ASN 97 H ASN 97 -5.773 -4.131 -8.397 813 HA ASN 97 HA ASN 97 -7.893 -5.330 -6.670 814 1HB ASN 97 1HB ASN 97 -5.211 -6.314 -7.714 815 2HB ASN 97 2HB ASN 97 -6.274 -7.261 -6.670 816 1HD2 ASN 97 1HD2 ASN 97 -5.712 -6.268 -9.981 817 2HD2 ASN 97 2HD2 ASN 97 -7.088 -7.014 -10.640 818 H THR 98 H THR 98 -6.439 -2.796 -5.905 819 HA THR 98 HA THR 98 -4.308 -3.412 -4.104 820 HB THR 98 HB THR 98 -4.778 -1.169 -5.069 821 HG1 THR 98 HG1 THR 98 -3.462 -1.242 -3.291 822 1HG2 THR 98 1HG2 THR 98 -6.481 0.246 -3.936 823 2HG2 THR 98 2HG2 THR 98 -7.046 -1.176 -3.061 824 3HG2 THR 98 3HG2 THR 98 -7.205 -1.099 -4.816 825 HA PRO 99 HA PRO 99 -7.677 -3.395 -0.626 826 1HB PRO 99 1HB PRO 99 -9.969 -4.778 -1.248 827 2HB PRO 99 2HB PRO 99 -9.833 -3.010 -1.352 828 1HG PRO 99 1HG PRO 99 -9.579 -5.055 -3.515 829 2HG PRO 99 2HG PRO 99 -10.452 -3.512 -3.522 830 1HD PRO 99 1HD PRO 99 -8.083 -3.748 -4.685 831 2HD PRO 99 2HD PRO 99 -8.527 -2.269 -3.826 832 H ALA 100 H ALA 100 -7.534 -6.051 -3.050 833 HA ALA 100 HA ALA 100 -7.638 -8.255 -1.203 834 1HB ALA 100 1HB ALA 100 -6.211 -7.893 -3.865 835 2HB ALA 100 2HB ALA 100 -7.807 -8.598 -3.607 836 3HB ALA 100 3HB ALA 100 -6.366 -9.449 -3.047 837 H VAL 101 H VAL 101 -4.884 -6.232 -2.312 838 HA VAL 101 HA VAL 101 -2.833 -7.739 -0.911 839 HB VAL 101 HB VAL 101 -2.923 -4.803 -1.714 840 1HG1 VAL 101 1HG1 VAL 101 -0.325 -5.576 -1.937 841 2HG1 VAL 101 2HG1 VAL 101 -0.834 -6.575 -0.576 842 3HG1 VAL 101 3HG1 VAL 101 -0.992 -4.822 -0.489 843 1HG2 VAL 101 1HG2 VAL 101 -2.530 -7.335 -3.213 844 2HG2 VAL 101 2HG2 VAL 101 -1.386 -6.045 -3.582 845 3HG2 VAL 101 3HG2 VAL 101 -3.118 -5.773 -3.781 846 H ILE 102 H ILE 102 -4.934 -4.986 0.040 847 HA ILE 102 HA ILE 102 -3.596 -4.503 2.580 848 HB ILE 102 HB ILE 102 -6.439 -3.903 1.670 849 1HG1 ILE 102 1HG1 ILE 102 -4.270 -1.853 1.790 850 2HG1 ILE 102 2HG1 ILE 102 -4.230 -2.996 0.449 851 1HG2 ILE 102 1HG2 ILE 102 -4.789 -2.595 3.852 852 2HG2 ILE 102 2HG2 ILE 102 -6.057 -3.784 4.149 853 3HG2 ILE 102 3HG2 ILE 102 -6.461 -2.226 3.429 854 1HD1 ILE 102 1HD1 ILE 102 -5.668 -0.698 0.395 855 2HD1 ILE 102 2HD1 ILE 102 -6.879 -1.800 1.050 856 3HD1 ILE 102 3HD1 ILE 102 -6.126 -2.143 -0.506 857 H SER 103 H SER 103 -6.386 -6.560 1.609 858 HA SER 103 HA SER 103 -7.215 -7.330 4.251 859 1HB SER 103 1HB SER 103 -8.637 -7.887 2.415 860 2HB SER 103 2HB SER 103 -7.326 -8.667 1.535 861 HG SER 103 HG SER 103 -8.791 -10.137 2.593 862 H ALA 104 H ALA 104 -4.826 -8.869 2.031 863 HA ALA 104 HA ALA 104 -4.097 -11.069 3.705 864 1HB ALA 104 1HB ALA 104 -2.243 -11.282 2.267 865 2HB ALA 104 2HB ALA 104 -2.054 -9.536 2.099 866 3HB ALA 104 3HB ALA 104 -3.374 -10.364 1.273 867 H PHE 105 H PHE 105 -3.054 -7.645 3.831 868 HA PHE 105 HA PHE 105 -0.857 -7.864 5.631 869 1HB PHE 105 1HB PHE 105 -1.746 -5.809 4.408 870 2HB PHE 105 2HB PHE 105 -2.993 -5.703 5.647 871 HD1 PHE 105 HD1 PHE 105 -2.073 -5.783 8.160 872 HD2 PHE 105 HD2 PHE 105 0.248 -4.655 4.731 873 HE1 PHE 105 HE1 PHE 105 -0.506 -4.567 9.621 874 HE2 PHE 105 HE2 PHE 105 1.815 -3.437 6.202 875 HZ PHE 105 HZ PHE 105 1.442 -3.404 8.646 876 H SER 106 H SER 106 -4.379 -7.631 6.348 877 HA SER 106 HA SER 106 -4.065 -7.594 9.228 878 1HB SER 106 1HB SER 106 -6.169 -6.911 8.348 879 2HB SER 106 2HB SER 106 -6.304 -8.345 7.335 880 HG SER 106 HG SER 106 -6.578 -8.100 10.139 881 H THR 107 H THR 107 -4.524 -10.293 6.900 882 HA THR 107 HA THR 107 -4.624 -12.347 8.966 883 HB THR 107 HB THR 107 -3.595 -12.991 6.235 884 HG1 THR 107 HG1 THR 107 -5.493 -12.468 5.266 885 1HG2 THR 107 1HG2 THR 107 -4.246 -14.770 7.771 886 2HG2 THR 107 2HG2 THR 107 -5.383 -14.717 6.424 887 3HG2 THR 107 3HG2 THR 107 -5.835 -14.037 7.987 888 H MET 108 H MET 108 -1.959 -10.896 7.043 889 HA MET 108 HA MET 108 0.063 -12.767 7.969 890 1HB MET 108 1HB MET 108 0.219 -9.916 6.930 891 2HB MET 108 2HB MET 108 1.622 -10.947 7.195 892 1HG MET 108 1HG MET 108 -0.702 -11.673 5.389 893 2HG MET 108 2HG MET 108 0.810 -10.967 4.818 894 1HE MET 108 1HE MET 108 1.777 -12.393 3.409 895 2HE MET 108 2HE MET 108 0.432 -13.524 3.276 896 3HE MET 108 3HE MET 108 2.063 -14.133 3.548 897 H MET 109 H MET 109 -1.183 -9.648 9.246 898 HA MET 109 HA MET 109 0.795 -9.199 11.274 899 1HB MET 109 1HB MET 109 -1.057 -7.633 10.612 900 2HB MET 109 2HB MET 109 -2.208 -8.696 11.424 901 1HG MET 109 1HG MET 109 -0.865 -8.407 13.537 902 2HG MET 109 2HG MET 109 0.096 -7.192 12.694 903 1HE MET 109 1HE MET 109 -2.250 -7.179 15.379 904 2HE MET 109 2HE MET 109 -2.323 -5.421 15.279 905 3HE MET 109 3HE MET 109 -0.779 -6.244 15.075 906 H SER 110 H SER 110 -2.138 -11.313 11.320 907 HA SER 110 HA SER 110 -2.023 -12.045 14.090 908 1HB SER 110 1HB SER 110 -2.867 -13.554 11.599 909 2HB SER 110 2HB SER 110 -3.066 -14.228 13.213 910 HG SER 110 HG SER 110 -4.492 -12.660 13.700 911 H VAL 111 H VAL 111 -0.040 -13.205 11.349 912 HA VAL 111 HA VAL 111 1.194 -15.351 12.931 913 HB VAL 111 HB VAL 111 2.059 -14.039 10.328 914 1HG1 VAL 111 1HG1 VAL 111 3.907 -15.286 11.111 915 2HG1 VAL 111 2HG1 VAL 111 3.071 -16.407 10.036 916 3HG1 VAL 111 3HG1 VAL 111 2.880 -16.552 11.784 917 1HG2 VAL 111 1HG2 VAL 111 -0.021 -14.912 9.778 918 2HG2 VAL 111 2HG2 VAL 111 0.056 -16.157 11.024 919 3HG2 VAL 111 3HG2 VAL 111 0.983 -16.341 9.535 920 H HIS 112 H HIS 112 1.653 -11.922 12.978 921 HA HIS 112 HA HIS 112 4.524 -12.114 13.612 922 1HB HIS 112 1HB HIS 112 4.532 -9.933 12.949 923 2HB HIS 112 2HB HIS 112 2.929 -10.277 12.321 924 HD1 HIS 112 HD1 HIS 112 0.961 -9.882 14.350 925 HD2 HIS 112 HD2 HIS 112 4.520 -7.806 14.572 926 HE1 HIS 112 HE1 HIS 112 0.542 -7.949 15.918 927 H ARG 113 H ARG 113 1.403 -11.940 15.308 928 HA ARG 113 HA ARG 113 2.787 -11.240 17.856 929 1HB ARG 113 1HB ARG 113 0.224 -10.770 16.689 930 2HB ARG 113 2HB ARG 113 -0.040 -11.747 18.132 931 1HG ARG 113 1HG ARG 113 1.290 -10.146 19.462 932 2HG ARG 113 2HG ARG 113 1.551 -9.165 18.019 933 1HD ARG 113 1HD ARG 113 -0.326 -8.059 18.748 934 2HD ARG 113 2HD ARG 113 -1.185 -9.419 17.999 935 HE ARG 113 HE ARG 113 -1.416 -10.434 20.179 936 1HH1 ARG 113 1HH2 ARG 113 -1.552 -7.239 20.475 937 2HH1 ARG 113 2HH2 ARG 113 -0.829 -7.104 22.043 938 1HH2 ARG 113 1HH1 ARG 113 0.333 -10.370 22.080 939 2HH2 ARG 113 2HH1 ARG 113 0.239 -8.876 22.951 940 H GLY 114 H GLY 114 1.407 -14.082 16.223 941 1HA GLY 114 1HA GLY 114 0.735 -15.717 18.398 942 2HA GLY 114 2HA GLY 114 1.404 -16.325 16.885 943 H GLU 115 H GLU 115 3.943 -15.981 16.731 944 HA GLU 115 HA GLU 115 5.224 -16.220 19.417 945 1HB GLU 115 1HB GLU 115 4.416 -18.443 18.302 946 2HB GLU 115 2HB GLU 115 5.789 -18.205 17.221 947 1HG GLU 115 1HG GLU 115 6.547 -19.577 19.057 948 2HG GLU 115 2HG GLU 115 7.251 -17.973 19.270 949 H VAL 116 H VAL 116 6.043 -14.013 18.608 950 HA VAL 116 HA VAL 116 8.545 -14.419 17.039 951 HB VAL 116 HB VAL 116 6.388 -12.372 16.405 952 1HG1 VAL 116 1HG1 VAL 116 9.032 -12.001 16.028 953 2HG1 VAL 116 2HG1 VAL 116 7.823 -11.413 14.887 954 3HG1 VAL 116 3HG1 VAL 116 8.670 -12.927 14.572 955 1HG2 VAL 116 1HG2 VAL 116 7.229 -14.973 15.118 956 2HG2 VAL 116 2HG2 VAL 116 6.432 -13.708 14.183 957 3HG2 VAL 116 3HG2 VAL 116 5.605 -14.441 15.559 958 HA PRO 117 HA PRO 117 9.151 -11.646 20.653 959 1HB PRO 117 1HB PRO 117 11.702 -12.468 21.204 960 2HB PRO 117 2HB PRO 117 10.263 -13.316 21.806 961 1HG PRO 117 1HG PRO 117 12.034 -13.990 19.514 962 2HG PRO 117 2HG PRO 117 11.251 -15.058 20.688 963 1HD PRO 117 1HD PRO 117 10.326 -14.666 18.150 964 2HD PRO 117 2HD PRO 117 9.287 -15.119 19.519 965 H CYS 118 H CYS 118 9.168 -9.879 18.970 966 HA CYS 118 HA CYS 118 11.968 -9.145 18.168 967 1HB CYS 118 1HB CYS 118 9.343 -9.126 16.680 968 2HB CYS 118 2HB CYS 118 10.664 -8.068 16.182 969 HG CYS 118 HG CYS 118 11.723 -10.024 15.110 970 H THR 119 H THR 119 11.891 -7.841 20.269 971 HA THR 119 HA THR 119 10.392 -5.275 19.848 972 HB THR 119 HB THR 119 10.274 -5.331 22.425 973 HG1 THR 119 HG1 THR 119 11.688 -6.939 22.889 974 1HG2 THR 119 1HG2 THR 119 8.783 -7.593 21.101 975 2HG2 THR 119 2HG2 THR 119 8.425 -5.908 20.721 976 3HG2 THR 119 3HG2 THR 119 8.222 -6.503 22.370 977 H VAL 120 H VAL 120 11.445 -3.580 21.580 978 HA VAL 120 HA VAL 120 14.428 -3.892 21.421 979 HB VAL 120 HB VAL 120 12.699 -1.427 21.005 980 1HG1 VAL 120 1HG1 VAL 120 15.691 -1.778 20.645 981 2HG1 VAL 120 2HG1 VAL 120 14.946 -1.004 22.044 982 3HG1 VAL 120 3HG1 VAL 120 14.771 -0.287 20.442 983 1HG2 VAL 120 1HG2 VAL 120 14.395 -2.992 19.033 984 2HG2 VAL 120 2HG2 VAL 120 13.396 -1.585 18.670 985 3HG2 VAL 120 3HG2 VAL 120 12.639 -3.105 19.148 986 1H GLN 1 1H GLN 1 4.531 -12.824 -13.687 987 2H GLN 1 2H GLN 1 5.641 -11.585 -13.343 988 3H GLN 1 3H GLN 1 4.939 -12.475 -12.078 989 HA GLN 1 HA GLN 1 7.138 -13.312 -12.342 990 1HB GLN 1 1HB GLN 1 4.885 -14.752 -12.283 991 2HB GLN 1 2HB GLN 1 5.476 -15.289 -13.856 992 1HG GLN 1 1HG GLN 1 7.383 -16.276 -12.958 993 2HG GLN 1 2HG GLN 1 7.366 -15.244 -11.526 994 1HE2 GLN 1 1HE2 GLN 1 5.658 -15.746 -9.836 995 2HE2 GLN 1 2HE2 GLN 1 5.028 -17.320 -9.752 996 H LYS 2 H LYS 2 8.531 -14.737 -13.977 997 HA LYS 2 HA LYS 2 9.782 -14.741 -15.977 998 1HB LYS 2 1HB LYS 2 7.228 -15.464 -16.473 999 2HB LYS 2 2HB LYS 2 7.324 -14.041 -17.510 1000 1HG LYS 2 1HG LYS 2 8.806 -15.022 -18.947 1001 2HG LYS 2 2HG LYS 2 9.646 -15.880 -17.655 1002 1HD LYS 2 1HD LYS 2 6.849 -16.673 -18.446 1003 2HD LYS 2 2HD LYS 2 8.240 -17.270 -19.352 1004 1HE LYS 2 1HE LYS 2 9.146 -18.377 -17.438 1005 2HE LYS 2 2HE LYS 2 8.052 -17.516 -16.335 1006 1HZ LYS 2 1HZ LYS 2 7.195 -19.722 -16.812 1007 2HZ LYS 2 2HZ LYS 2 7.234 -19.405 -18.481 1008 3HZ LYS 2 3HZ LYS 2 6.171 -18.543 -17.474 1009 H THR 3 H THR 3 10.822 -12.614 -15.292 1010 HA THR 3 HA THR 3 11.478 -10.397 -15.745 1011 HB THR 3 HB THR 3 10.095 -10.762 -18.400 1012 HG1 THR 3 HG1 THR 3 11.731 -12.117 -19.017 1013 1HG2 THR 3 1HG2 THR 3 12.680 -9.504 -17.454 1014 2HG2 THR 3 2HG2 THR 3 11.276 -8.684 -18.136 1015 3HG2 THR 3 3HG2 THR 3 12.275 -9.719 -19.157 1016 H GLY 4 H GLY 4 10.147 -9.134 -14.330 1017 1HA GLY 4 1HA GLY 4 8.431 -7.210 -15.314 1018 2HA GLY 4 2HA GLY 4 7.356 -8.577 -15.028 1019 H THR 5 H THR 5 8.524 -9.635 -12.649 1020 HA THR 5 HA THR 5 8.395 -7.342 -10.729 1021 HB THR 5 HB THR 5 6.889 -8.917 -9.367 1022 HG1 THR 5 HG1 THR 5 6.020 -10.610 -10.422 1023 1HG2 THR 5 1HG2 THR 5 6.283 -6.956 -11.115 1024 2HG2 THR 5 2HG2 THR 5 5.052 -7.868 -10.242 1025 3HG2 THR 5 3HG2 THR 5 5.462 -8.305 -11.900 1026 H ALA 6 H ALA 6 10.167 -7.479 -9.347 1027 HA ALA 6 HA ALA 6 11.334 -10.204 -8.854 1028 1HB ALA 6 1HB ALA 6 13.019 -7.802 -8.481 1029 2HB ALA 6 2HB ALA 6 12.450 -8.042 -10.134 1030 3HB ALA 6 3HB ALA 6 13.380 -9.306 -9.331 1031 H GLU 7 H GLU 7 9.211 -9.060 -7.186 1032 HA GLU 7 HA GLU 7 8.746 -8.607 -4.920 1033 1HB GLU 7 1HB GLU 7 11.540 -9.778 -4.670 1034 2HB GLU 7 2HB GLU 7 10.378 -9.626 -3.354 1035 1HG GLU 7 1HG GLU 7 9.085 -11.359 -4.109 1036 2HG GLU 7 2HG GLU 7 9.412 -11.002 -5.804 1037 H VAL 8 H VAL 8 9.528 -6.338 -6.320 1038 HA VAL 8 HA VAL 8 11.812 -4.920 -5.330 1039 HB VAL 8 HB VAL 8 9.086 -3.856 -6.171 1040 1HG1 VAL 8 1HG1 VAL 8 10.635 -2.258 -4.922 1041 2HG1 VAL 8 2HG1 VAL 8 10.167 -1.748 -6.545 1042 3HG1 VAL 8 3HG1 VAL 8 11.763 -2.446 -6.264 1043 1HG2 VAL 8 1HG2 VAL 8 9.781 -4.921 -8.088 1044 2HG2 VAL 8 2HG2 VAL 8 11.481 -4.879 -7.618 1045 3HG2 VAL 8 3HG2 VAL 8 10.713 -3.436 -8.282 1046 H SER 9 H SER 9 8.466 -5.102 -4.015 1047 HA SER 9 HA SER 9 8.773 -3.251 -1.855 1048 1HB SER 9 1HB SER 9 7.108 -5.033 -0.756 1049 2HB SER 9 2HB SER 9 6.591 -4.031 -2.109 1050 HG SER 9 HG SER 9 6.361 -6.486 -2.168 1051 H SER 10 H SER 10 9.705 -6.709 -2.093 1052 HA SER 10 HA SER 10 10.594 -6.944 0.674 1053 1HB SER 10 1HB SER 10 10.048 -8.884 -0.764 1054 2HB SER 10 2HB SER 10 11.365 -8.456 -1.853 1055 HG SER 10 HG SER 10 11.867 -10.098 -0.250 1056 H ILE 11 H ILE 11 12.266 -6.203 -2.422 1057 HA ILE 11 HA ILE 11 14.910 -5.958 -1.226 1058 HB ILE 11 HB ILE 11 13.739 -4.743 -3.762 1059 1HG1 ILE 11 1HG1 ILE 11 15.522 -7.122 -3.832 1060 2HG1 ILE 11 2HG1 ILE 11 13.900 -7.392 -3.196 1061 1HG2 ILE 11 1HG2 ILE 11 15.792 -3.618 -3.296 1062 2HG2 ILE 11 2HG2 ILE 11 16.189 -4.864 -4.479 1063 3HG2 ILE 11 3HG2 ILE 11 16.574 -5.112 -2.776 1064 1HD1 ILE 11 1HD1 ILE 11 12.874 -6.609 -5.203 1065 2HD1 ILE 11 2HD1 ILE 11 14.175 -7.681 -5.722 1066 3HD1 ILE 11 3HD1 ILE 11 14.390 -5.933 -5.798 1067 H LEU 12 H LEU 12 12.284 -3.603 -1.932 1068 HA LEU 12 HA LEU 12 13.745 -1.241 -1.153 1069 1HB LEU 12 1HB LEU 12 10.847 -2.033 -1.359 1070 2HB LEU 12 2HB LEU 12 11.262 -0.489 -0.613 1071 HG LEU 12 HG LEU 12 12.240 -1.365 -3.345 1072 1HD1 LEU 12 1HD1 LEU 12 10.108 0.696 -2.748 1073 2HD1 LEU 12 2HD1 LEU 12 9.715 -0.987 -3.101 1074 3HD1 LEU 12 3HD1 LEU 12 10.538 -0.002 -4.310 1075 1HD2 LEU 12 1HD2 LEU 12 12.575 1.049 -1.606 1076 2HD2 LEU 12 2HD2 LEU 12 12.466 1.294 -3.350 1077 3HD2 LEU 12 3HD2 LEU 12 13.739 0.273 -2.680 1078 H GLU 13 H GLU 13 11.864 -3.632 0.760 1079 HA GLU 13 HA GLU 13 11.781 -2.218 3.243 1080 1HB GLU 13 1HB GLU 13 10.646 -4.407 2.634 1081 2HB GLU 13 2HB GLU 13 12.201 -5.204 2.870 1082 1HG GLU 13 1HG GLU 13 11.408 -3.435 5.095 1083 2HG GLU 13 2HG GLU 13 10.331 -4.809 4.850 1084 H GLU 14 H GLU 14 14.400 -4.235 1.828 1085 HA GLU 14 HA GLU 14 16.107 -4.195 4.168 1086 1HB GLU 14 1HB GLU 14 16.172 -5.523 1.848 1087 2HB GLU 14 2HB GLU 14 17.257 -4.207 1.397 1088 1HG GLU 14 1HG GLU 14 18.852 -4.794 2.987 1089 2HG GLU 14 2HG GLU 14 17.673 -5.609 4.016 1090 H ARG 15 H ARG 15 15.848 -1.988 1.343 1091 HA ARG 15 HA ARG 15 18.098 -0.316 2.033 1092 1HB ARG 15 1HB ARG 15 15.533 0.184 0.490 1093 2HB ARG 15 2HB ARG 15 16.831 1.374 0.594 1094 1HG ARG 15 1HG ARG 15 18.332 -0.681 -0.148 1095 2HG ARG 15 2HG ARG 15 16.802 -1.282 -0.790 1096 1HD ARG 15 1HD ARG 15 16.729 1.307 -1.667 1097 2HD ARG 15 2HD ARG 15 18.472 0.974 -1.730 1098 HE ARG 15 HE ARG 15 16.388 -0.673 -3.107 1099 1HH1 ARG 15 1HH1 ARG 15 19.418 -1.321 -2.122 1100 2HH1 ARG 15 2HH1 ARG 15 20.150 -1.420 -3.688 1101 1HH2 ARG 15 1HH2 ARG 15 17.418 -0.076 -5.345 1102 2HH2 ARG 15 2HH2 ARG 15 19.019 -0.715 -5.513 1103 H ILE 16 H ILE 16 14.679 -0.254 3.119 1104 HA ILE 16 HA ILE 16 15.167 2.255 4.631 1105 HB ILE 16 HB ILE 16 13.063 1.667 3.303 1106 1HG1 ILE 16 1HG1 ILE 16 13.175 3.504 4.979 1107 2HG1 ILE 16 2HG1 ILE 16 11.574 2.781 4.872 1108 1HG2 ILE 16 1HG2 ILE 16 12.608 -0.157 5.676 1109 2HG2 ILE 16 2HG2 ILE 16 12.735 -0.631 3.983 1110 3HG2 ILE 16 3HG2 ILE 16 11.354 0.317 4.531 1111 1HD1 ILE 16 1HD1 ILE 16 12.698 1.248 6.841 1112 2HD1 ILE 16 2HD1 ILE 16 11.734 2.690 7.143 1113 3HD1 ILE 16 3HD1 ILE 16 13.494 2.795 7.122 1114 H LEU 17 H LEU 17 14.610 -1.233 5.303 1115 HA LEU 17 HA LEU 17 15.759 -0.797 8.015 1116 1HB LEU 17 1HB LEU 17 13.216 -0.553 7.979 1117 2HB LEU 17 2HB LEU 17 13.150 -2.263 7.552 1118 HG LEU 17 HG LEU 17 14.880 -1.596 9.868 1119 1HD1 LEU 17 1HD1 LEU 17 13.284 -0.254 10.799 1120 2HD1 LEU 17 2HD1 LEU 17 12.496 -1.789 11.165 1121 3HD1 LEU 17 3HD1 LEU 17 12.008 -0.864 9.744 1122 1HD2 LEU 17 1HD2 LEU 17 14.351 -3.747 10.488 1123 2HD2 LEU 17 2HD2 LEU 17 13.966 -3.887 8.773 1124 3HD2 LEU 17 3HD2 LEU 17 12.679 -3.604 9.946 1125 H GLY 18 H GLY 18 17.359 -2.369 8.218 1126 1HA GLY 18 1HA GLY 18 16.750 -5.105 7.212 1127 2HA GLY 18 2HA GLY 18 18.255 -4.330 6.714 1128 H ALA 19 H ALA 19 20.001 -4.260 8.195 1129 HA ALA 19 HA ALA 19 21.260 -4.961 10.063 1130 1HB ALA 19 1HB ALA 19 18.698 -3.788 11.002 1131 2HB ALA 19 2HB ALA 19 20.354 -3.320 11.384 1132 3HB ALA 19 3HB ALA 19 19.614 -4.692 12.207 1133 H ASP 20 H ASP 20 21.506 -7.249 9.592 1134 HA ASP 20 HA ASP 20 19.578 -9.013 11.070 1135 1HB ASP 20 1HB ASP 20 19.301 -9.063 8.603 1136 2HB ASP 20 2HB ASP 20 21.000 -9.503 8.432 1137 H THR 21 H THR 21 22.850 -9.163 9.502 1138 HA THR 21 HA THR 21 23.875 -10.396 12.035 1139 HB THR 21 HB THR 21 25.280 -11.725 10.170 1140 HG1 THR 21 HG1 THR 21 24.105 -12.028 8.350 1141 1HG2 THR 21 1HG2 THR 21 23.643 -13.549 10.387 1142 2HG2 THR 21 2HG2 THR 21 22.433 -12.402 10.962 1143 3HG2 THR 21 3HG2 THR 21 23.870 -12.729 11.932 1144 H SER 22 H SER 22 25.232 -8.675 12.715 1145 HA SER 22 HA SER 22 27.244 -7.711 10.703 1146 1HB SER 22 1HB SER 22 26.911 -5.528 11.505 1147 2HB SER 22 2HB SER 22 25.284 -6.197 11.579 1148 HG SER 22 HG SER 22 25.679 -5.300 13.554 1149 H VAL 23 H VAL 23 29.397 -7.952 11.375 1150 HA VAL 23 HA VAL 23 29.896 -8.410 14.296 1151 HB VAL 23 HB VAL 23 31.009 -9.941 11.917 1152 1HG1 VAL 23 1HG1 VAL 23 32.558 -9.626 13.903 1153 2HG1 VAL 23 2HG1 VAL 23 32.175 -11.305 13.522 1154 3HG1 VAL 23 3HG1 VAL 23 31.373 -10.501 14.873 1155 1HG2 VAL 23 1HG2 VAL 23 28.877 -10.834 12.183 1156 2HG2 VAL 23 2HG2 VAL 23 28.821 -10.454 13.904 1157 3HG2 VAL 23 3HG2 VAL 23 29.779 -11.820 13.334 1158 H ASP 24 H ASP 24 31.234 -6.695 14.913 1159 HA ASP 24 HA ASP 24 33.338 -5.817 12.959 1160 1HB ASP 24 1HB ASP 24 31.276 -4.357 13.823 1161 2HB ASP 24 2HB ASP 24 32.346 -4.099 15.202 1162 H LEU 25 H LEU 25 34.065 -7.987 14.540 1163 HA LEU 25 HA LEU 25 35.865 -6.718 16.576 1164 1HB LEU 25 1HB LEU 25 33.659 -8.066 17.263 1165 2HB LEU 25 2HB LEU 25 34.723 -9.450 17.009 1166 HG LEU 25 HG LEU 25 35.567 -7.094 18.699 1167 1HD1 LEU 25 1HD1 LEU 25 33.539 -7.905 19.733 1168 2HD1 LEU 25 2HD1 LEU 25 34.898 -8.541 20.657 1169 3HD1 LEU 25 3HD1 LEU 25 34.041 -9.581 19.519 1170 1HD2 LEU 25 1HD2 LEU 25 36.413 -10.006 18.548 1171 2HD2 LEU 25 2HD2 LEU 25 37.075 -8.817 19.670 1172 3HD2 LEU 25 3HD2 LEU 25 37.327 -8.628 17.934 Start of MODEL 22 1 1H PHE 1 1H PHE 1 -6.239 -37.108 9.065 2 2H PHE 1 2H PHE 1 -7.172 -38.061 8.014 3 3H PHE 1 3H PHE 1 -5.595 -38.540 8.425 4 HA PHE 1 HA PHE 1 -7.031 -39.896 9.714 5 1HB PHE 1 1HB PHE 1 -5.004 -38.811 10.735 6 2HB PHE 1 2HB PHE 1 -6.055 -37.542 11.362 7 HD1 PHE 1 HD1 PHE 1 -6.560 -37.796 13.616 8 HD2 PHE 1 HD2 PHE 1 -6.214 -41.292 11.145 9 HE1 PHE 1 HE1 PHE 1 -7.127 -39.227 15.561 10 HE2 PHE 1 HE2 PHE 1 -6.782 -42.723 13.088 11 HZ PHE 1 HZ PHE 1 -7.239 -41.691 15.297 12 H ALA 2 H ALA 2 -7.768 -36.424 10.456 13 HA ALA 2 HA ALA 2 -10.635 -37.242 10.811 14 1HB ALA 2 1HB ALA 2 -10.696 -35.715 12.729 15 2HB ALA 2 2HB ALA 2 -9.024 -35.241 12.430 16 3HB ALA 2 3HB ALA 2 -9.395 -36.885 12.952 17 H LYS 3 H LYS 3 -9.456 -36.130 8.365 18 HA LYS 3 HA LYS 3 -9.792 -34.367 6.834 19 1HB LYS 3 1HB LYS 3 -12.153 -34.010 8.712 20 2HB LYS 3 2HB LYS 3 -12.039 -33.315 7.095 21 1HG LYS 3 1HG LYS 3 -11.550 -35.805 6.379 22 2HG LYS 3 2HG LYS 3 -12.355 -36.188 7.902 23 1HD LYS 3 1HD LYS 3 -14.245 -36.077 6.624 24 2HD LYS 3 2HD LYS 3 -14.082 -34.343 6.901 25 1HE LYS 3 1HE LYS 3 -12.849 -35.794 4.531 26 2HE LYS 3 2HE LYS 3 -14.388 -34.909 4.470 27 1HZ LYS 3 1HZ LYS 3 -11.718 -33.827 5.191 28 2HZ LYS 3 2HZ LYS 3 -13.170 -32.978 5.434 29 3HZ LYS 3 3HZ LYS 3 -12.675 -33.390 3.862 30 H LEU 4 H LEU 4 -7.759 -33.497 8.312 31 HA LEU 4 HA LEU 4 -8.459 -30.669 8.961 32 1HB LEU 4 1HB LEU 4 -8.273 -32.543 10.906 33 2HB LEU 4 2HB LEU 4 -6.575 -32.082 10.782 34 HG LEU 4 HG LEU 4 -8.740 -29.993 10.971 35 1HD1 LEU 4 1HD1 LEU 4 -8.858 -30.142 13.266 36 2HD1 LEU 4 2HD1 LEU 4 -7.230 -30.802 13.411 37 3HD1 LEU 4 3HD1 LEU 4 -8.561 -31.843 12.906 38 1HD2 LEU 4 1HD2 LEU 4 -5.781 -30.090 11.637 39 2HD2 LEU 4 2HD2 LEU 4 -6.824 -28.703 11.949 40 3HD2 LEU 4 3HD2 LEU 4 -6.527 -29.229 10.291 41 H VAL 5 H VAL 5 -7.230 -31.089 6.602 42 HA VAL 5 HA VAL 5 -4.321 -30.581 7.152 43 HB VAL 5 HB VAL 5 -5.633 -32.101 4.868 44 1HG1 VAL 5 1HG1 VAL 5 -3.436 -32.505 4.026 45 2HG1 VAL 5 2HG1 VAL 5 -2.682 -31.864 5.486 46 3HG1 VAL 5 3HG1 VAL 5 -3.498 -30.776 4.364 47 1HG2 VAL 5 1HG2 VAL 5 -5.687 -33.505 6.785 48 2HG2 VAL 5 2HG2 VAL 5 -4.109 -32.946 7.338 49 3HG2 VAL 5 3HG2 VAL 5 -4.228 -33.990 5.922 50 H ARG 6 H ARG 6 -6.734 -30.279 4.458 51 HA ARG 6 HA ARG 6 -7.136 -28.505 2.967 52 1HB ARG 6 1HB ARG 6 -6.453 -27.290 5.611 53 2HB ARG 6 2HB ARG 6 -6.523 -26.207 4.223 54 1HG ARG 6 1HG ARG 6 -8.734 -26.225 5.090 55 2HG ARG 6 2HG ARG 6 -8.788 -27.301 3.692 56 1HD ARG 6 1HD ARG 6 -8.515 -29.260 5.183 57 2HD ARG 6 2HD ARG 6 -8.484 -28.176 6.588 58 HE ARG 6 HE ARG 6 -10.820 -28.272 4.716 59 1HH1 ARG 6 1HH1 ARG 6 -10.535 -26.188 6.937 60 2HH1 ARG 6 2HH1 ARG 6 -11.526 -26.888 8.173 61 1HH2 ARG 6 1HH2 ARG 6 -11.611 -30.026 6.700 62 2HH2 ARG 6 2HH2 ARG 6 -12.136 -29.061 8.039 63 HA PRO 7 HA PRO 7 -3.349 -27.452 1.002 64 1HB PRO 7 1HB PRO 7 -3.873 -25.063 -0.221 65 2HB PRO 7 2HB PRO 7 -4.564 -26.602 -0.773 66 1HG PRO 7 1HG PRO 7 -5.814 -24.427 0.811 67 2HG PRO 7 2HG PRO 7 -6.524 -25.486 -0.415 68 1HD PRO 7 1HD PRO 7 -6.850 -25.798 2.301 69 2HD PRO 7 2HD PRO 7 -7.045 -27.096 1.104 70 HA PRO 8 HA PRO 8 -1.313 -24.754 3.928 71 1HB PRO 8 1HB PRO 8 1.212 -24.838 2.884 72 2HB PRO 8 2HB PRO 8 0.511 -26.176 3.814 73 1HG PRO 8 1HG PRO 8 0.839 -25.880 0.877 74 2HG PRO 8 2HG PRO 8 0.984 -27.324 1.892 75 1HD PRO 8 1HD PRO 8 -1.207 -26.732 0.348 76 2HD PRO 8 2HD PRO 8 -1.248 -27.770 1.790 77 H VAL 9 H VAL 9 -2.507 -22.800 3.093 78 HA VAL 9 HA VAL 9 -0.693 -21.026 1.521 79 HB VAL 9 HB VAL 9 -3.615 -21.601 0.906 80 1HG1 VAL 9 1HG1 VAL 9 -3.383 -20.056 -0.926 81 2HG1 VAL 9 2HG1 VAL 9 -1.652 -19.883 -0.637 82 3HG1 VAL 9 3HG1 VAL 9 -2.810 -19.225 0.520 83 1HG2 VAL 9 1HG2 VAL 9 -2.621 -22.440 -1.267 84 2HG2 VAL 9 2HG2 VAL 9 -2.232 -23.429 0.141 85 3HG2 VAL 9 3HG2 VAL 9 -1.032 -22.315 -0.513 86 H GLN 10 H GLN 10 -0.839 -18.838 2.213 87 HA GLN 10 HA GLN 10 -3.118 -18.072 3.975 88 1HB GLN 10 1HB GLN 10 -1.495 -17.276 5.679 89 2HB GLN 10 2HB GLN 10 -1.342 -19.011 5.406 90 1HG GLN 10 1HG GLN 10 0.547 -18.601 3.867 91 2HG GLN 10 2HG GLN 10 0.402 -16.868 4.158 92 1HE2 GLN 10 1HE2 GLN 10 2.192 -19.531 5.145 93 2HE2 GLN 10 2HE2 GLN 10 2.614 -19.002 6.701 94 H ILE 11 H ILE 11 -2.414 -17.216 1.246 95 HA ILE 11 HA ILE 11 -2.432 -14.342 1.697 96 HB ILE 11 HB ILE 11 -0.042 -15.082 1.957 97 1HG1 ILE 11 1HG1 ILE 11 0.737 -13.184 0.383 98 2HG1 ILE 11 2HG1 ILE 11 -0.971 -13.042 -0.048 99 1HG2 ILE 11 1HG2 ILE 11 1.259 -15.510 -0.073 100 2HG2 ILE 11 2HG2 ILE 11 -0.200 -15.397 -1.056 101 3HG2 ILE 11 3HG2 ILE 11 -0.007 -16.727 0.086 102 1HD1 ILE 11 1HD1 ILE 11 -0.268 -11.526 1.841 103 2HD1 ILE 11 2HD1 ILE 11 0.043 -12.969 2.805 104 3HD1 ILE 11 3HD1 ILE 11 -1.593 -12.619 2.244 105 H TYR 12 H TYR 12 -2.013 -16.890 -0.864 106 HA TYR 12 HA TYR 12 -2.772 -16.903 -3.100 107 1HB TYR 12 1HB TYR 12 -5.371 -16.243 -2.971 108 2HB TYR 12 2HB TYR 12 -4.763 -17.716 -2.226 109 HD1 TYR 12 HD1 TYR 12 -6.227 -14.412 -1.628 110 HD2 TYR 12 HD2 TYR 12 -4.301 -17.777 0.226 111 HE1 TYR 12 HE1 TYR 12 -6.912 -13.584 0.605 112 HE2 TYR 12 HE2 TYR 12 -4.970 -16.942 2.453 113 HH TYR 12 HH TYR 12 -7.161 -15.244 3.188 114 H GLY 13 H GLY 13 -1.370 -15.034 -3.845 115 1HA GLY 13 1HA GLY 13 -2.160 -13.337 -5.629 116 2HA GLY 13 2HA GLY 13 -2.982 -12.559 -4.278 117 H ILE 14 H ILE 14 -0.135 -12.543 -6.087 118 HA ILE 14 HA ILE 14 1.975 -12.019 -4.294 119 HB ILE 14 HB ILE 14 2.220 -12.060 -6.748 120 1HG1 ILE 14 1HG1 ILE 14 3.752 -10.159 -7.013 121 2HG1 ILE 14 2HG1 ILE 14 3.028 -9.354 -5.623 122 1HG2 ILE 14 1HG2 ILE 14 1.162 -9.266 -6.953 123 2HG2 ILE 14 2HG2 ILE 14 0.009 -10.598 -6.936 124 3HG2 ILE 14 3HG2 ILE 14 1.248 -10.521 -8.186 125 1HD1 ILE 14 1HD1 ILE 14 4.185 -10.619 -4.136 126 2HD1 ILE 14 2HD1 ILE 14 5.242 -10.975 -5.503 127 3HD1 ILE 14 3HD1 ILE 14 3.952 -12.097 -5.071 128 H GLU 15 H GLU 15 -0.776 -9.866 -5.067 129 HA GLU 15 HA GLU 15 0.164 -7.403 -4.032 130 1HB GLU 15 1HB GLU 15 -2.455 -8.743 -4.404 131 2HB GLU 15 2HB GLU 15 -2.454 -7.480 -3.178 132 1HG GLU 15 1HG GLU 15 -2.791 -6.105 -4.974 133 2HG GLU 15 2HG GLU 15 -1.039 -6.237 -5.141 134 H GLY 16 H GLY 16 -0.931 -10.310 -2.243 135 1HA GLY 16 1HA GLY 16 -1.106 -9.109 0.345 136 2HA GLY 16 2HA GLY 16 -0.765 -10.816 0.043 137 H ARG 17 H ARG 17 1.679 -10.506 -1.445 138 HA ARG 17 HA ARG 17 3.607 -10.268 0.689 139 1HB ARG 17 1HB ARG 17 3.646 -11.334 -1.786 140 2HB ARG 17 2HB ARG 17 4.450 -9.804 -2.141 141 1HG ARG 17 1HG ARG 17 6.183 -11.350 -1.554 142 2HG ARG 17 2HG ARG 17 5.976 -10.289 -0.161 143 1HD ARG 17 1HD ARG 17 5.188 -11.982 1.163 144 2HD ARG 17 2HD ARG 17 4.254 -12.707 -0.162 145 HE ARG 17 HE ARG 17 6.494 -13.524 -1.060 146 1HH1 ARG 17 1HH2 ARG 17 5.446 -14.064 2.019 147 2HH1 ARG 17 2HH2 ARG 17 6.993 -14.447 2.698 148 1HH2 ARG 17 1HH1 ARG 17 8.771 -13.416 -0.094 149 2HH2 ARG 17 2HH1 ARG 17 8.875 -14.081 1.502 150 H TYR 18 H TYR 18 2.463 -7.897 -1.744 151 HA TYR 18 HA TYR 18 4.406 -5.856 -1.358 152 1HB TYR 18 1HB TYR 18 1.542 -6.003 -2.167 153 2HB TYR 18 2HB TYR 18 2.103 -4.418 -1.644 154 HD1 TYR 18 HD1 TYR 18 2.527 -3.090 -3.499 155 HD2 TYR 18 HD2 TYR 18 3.750 -7.206 -3.553 156 HE1 TYR 18 HE1 TYR 18 3.586 -2.744 -5.711 157 HE2 TYR 18 HE2 TYR 18 4.813 -6.861 -5.765 158 HH TYR 18 HH TYR 18 5.768 -4.304 -6.967 159 H ALA 19 H ALA 19 1.531 -6.653 0.637 160 HA ALA 19 HA ALA 19 1.957 -4.405 2.473 161 1HB ALA 19 1HB ALA 19 0.186 -6.812 2.303 162 2HB ALA 19 2HB ALA 19 -0.243 -5.125 2.582 163 3HB ALA 19 3HB ALA 19 0.418 -6.094 3.898 164 H THR 20 H THR 20 2.854 -7.891 2.451 165 HA THR 20 HA THR 20 4.002 -7.746 5.122 166 HB THR 20 HB THR 20 5.141 -9.944 3.821 167 HG1 THR 20 HG1 THR 20 3.343 -10.792 2.687 168 1HG2 THR 20 1HG2 THR 20 4.140 -9.969 6.044 169 2HG2 THR 20 2HG2 THR 20 3.340 -11.183 5.046 170 3HG2 THR 20 3HG2 THR 20 2.548 -9.637 5.361 171 H ALA 21 H ALA 21 5.307 -7.259 1.842 172 HA ALA 21 HA ALA 21 8.074 -7.198 2.832 173 1HB ALA 21 1HB ALA 21 6.640 -6.614 0.257 174 2HB ALA 21 2HB ALA 21 7.982 -7.718 0.555 175 3HB ALA 21 3HB ALA 21 8.273 -5.981 0.462 176 H LEU 22 H LEU 22 5.417 -4.929 2.864 177 HA LEU 22 HA LEU 22 7.307 -2.629 3.210 178 1HB LEU 22 1HB LEU 22 5.366 -2.380 1.670 179 2HB LEU 22 2HB LEU 22 4.275 -2.775 2.998 180 HG LEU 22 HG LEU 22 5.778 -0.750 4.100 181 1HD1 LEU 22 1HD1 LEU 22 6.947 -0.081 2.165 182 2HD1 LEU 22 2HD1 LEU 22 5.592 1.045 2.244 183 3HD1 LEU 22 3HD1 LEU 22 5.542 -0.319 1.126 184 1HD2 LEU 22 1HD2 LEU 22 3.105 -1.000 2.832 185 2HD2 LEU 22 2HD2 LEU 22 3.679 0.647 3.096 186 3HD2 LEU 22 3HD2 LEU 22 3.534 -0.466 4.457 187 H TYR 23 H TYR 23 4.558 -4.284 4.850 188 HA TYR 23 HA TYR 23 5.040 -2.814 7.311 189 1HB TYR 23 1HB TYR 23 2.987 -3.619 7.791 190 2HB TYR 23 2HB TYR 23 2.983 -4.402 6.223 191 HD1 TYR 23 HD1 TYR 23 4.195 -4.939 9.723 192 HD2 TYR 23 HD2 TYR 23 2.704 -6.696 6.113 193 HE1 TYR 23 HE1 TYR 23 4.133 -7.143 10.839 194 HE2 TYR 23 HE2 TYR 23 2.672 -8.903 7.194 195 HH TYR 23 HH TYR 23 4.274 -9.736 9.769 196 H SER 24 H SER 24 6.627 -5.579 5.816 197 HA SER 24 HA SER 24 7.470 -7.093 8.069 198 1HB SER 24 1HB SER 24 8.271 -7.963 6.071 199 2HB SER 24 2HB SER 24 8.617 -6.373 5.400 200 HG SER 24 HG SER 24 10.474 -7.714 6.041 201 H ALA 25 H ALA 25 8.683 -3.947 6.852 202 HA ALA 25 HA ALA 25 10.725 -3.702 8.956 203 1HB ALA 25 1HB ALA 25 9.521 -1.942 6.823 204 2HB ALA 25 2HB ALA 25 11.207 -2.408 7.046 205 3HB ALA 25 3HB ALA 25 10.479 -1.200 8.105 206 H ALA 26 H ALA 26 7.377 -2.518 8.362 207 HA ALA 26 HA ALA 26 7.101 -0.894 10.713 208 1HB ALA 26 1HB ALA 26 4.824 -0.898 10.176 209 2HB ALA 26 2HB ALA 26 4.829 -2.604 9.730 210 3HB ALA 26 3HB ALA 26 5.520 -1.405 8.637 211 H SER 27 H SER 27 6.680 -4.445 10.286 212 HA SER 27 HA SER 27 5.575 -5.100 12.843 213 1HB SER 27 1HB SER 27 6.380 -7.315 12.387 214 2HB SER 27 2HB SER 27 6.069 -6.601 10.808 215 HG SER 27 HG SER 27 8.505 -7.140 12.100 216 H LYS 28 H LYS 28 9.010 -4.598 11.882 217 HA LYS 28 HA LYS 28 10.127 -5.202 14.495 218 1HB LYS 28 1HB LYS 28 11.039 -3.717 12.031 219 2HB LYS 28 2HB LYS 28 12.024 -3.671 13.493 220 1HG LYS 28 1HG LYS 28 11.913 -6.203 13.527 221 2HG LYS 28 2HG LYS 28 11.177 -6.120 11.926 222 1HD LYS 28 1HD LYS 28 13.118 -5.201 10.947 223 2HD LYS 28 2HD LYS 28 13.783 -4.719 12.509 224 1HE LYS 28 1HE LYS 28 15.029 -6.642 12.215 225 2HE LYS 28 2HE LYS 28 13.579 -7.404 12.899 226 1HZ LYS 28 1HZ LYS 28 14.206 -6.998 10.024 227 2HZ LYS 28 2HZ LYS 28 12.684 -7.493 10.595 228 3HZ LYS 28 3HZ LYS 28 14.046 -8.479 10.837 229 H GLN 29 H GLN 29 8.979 -2.162 12.953 230 HA GLN 29 HA GLN 29 9.643 -0.597 15.379 231 1HB GLN 29 1HB GLN 29 8.519 -0.050 12.645 232 2HB GLN 29 2HB GLN 29 8.339 1.166 13.911 233 1HG GLN 29 1HG GLN 29 10.658 1.463 14.134 234 2HG GLN 29 2HG GLN 29 11.024 -0.090 13.380 235 1HE2 GLN 29 1HE2 GLN 29 11.987 0.298 11.346 236 2HE2 GLN 29 2HE2 GLN 29 11.468 1.489 10.254 237 H ASN 30 H ASN 30 7.092 -2.718 14.721 238 HA ASN 30 HA ASN 30 5.027 -3.034 15.770 239 1HB ASN 30 1HB ASN 30 6.590 -1.913 17.645 240 2HB ASN 30 2HB ASN 30 5.425 -0.601 17.463 241 1HD2 ASN 30 1HD2 ASN 30 5.364 -4.229 17.787 242 2HD2 ASN 30 2HD2 ASN 30 4.008 -4.239 18.807 243 H LYS 31 H LYS 31 5.140 -1.514 13.335 244 HA LYS 31 HA LYS 31 3.142 0.659 13.827 245 1HB LYS 31 1HB LYS 31 5.287 0.095 11.843 246 2HB LYS 31 2HB LYS 31 3.864 0.948 11.244 247 1HG LYS 31 1HG LYS 31 4.109 2.645 12.997 248 2HG LYS 31 2HG LYS 31 5.490 1.777 13.666 249 1HD LYS 31 1HD LYS 31 6.675 2.067 11.486 250 2HD LYS 31 2HD LYS 31 5.321 3.043 10.919 251 1HE LYS 31 1HE LYS 31 6.859 4.656 11.733 252 2HE LYS 31 2HE LYS 31 5.738 4.446 13.093 253 1HZ LYS 31 1HZ LYS 31 8.082 4.228 13.770 254 2HZ LYS 31 2HZ LYS 31 8.253 2.906 12.716 255 3HZ LYS 31 3HZ LYS 31 7.197 2.808 14.044 256 H LEU 32 H LEU 32 2.773 -2.535 13.400 257 HA LEU 32 HA LEU 32 1.372 -3.093 11.019 258 1HB LEU 32 1HB LEU 32 1.212 -3.991 13.882 259 2HB LEU 32 2HB LEU 32 -0.052 -4.530 12.780 260 HG LEU 32 HG LEU 32 1.999 -6.064 13.008 261 1HD1 LEU 32 1HD1 LEU 32 1.668 -5.229 10.157 262 2HD1 LEU 32 2HD1 LEU 32 0.244 -5.766 11.043 263 3HD1 LEU 32 3HD1 LEU 32 1.624 -6.843 10.867 264 1HD2 LEU 32 1HD2 LEU 32 3.251 -3.888 11.299 265 2HD2 LEU 32 2HD2 LEU 32 3.956 -5.459 11.642 266 3HD2 LEU 32 3HD2 LEU 32 3.732 -4.314 12.939 267 H GLU 33 H GLU 33 0.191 -1.357 13.929 268 HA GLU 33 HA GLU 33 -2.519 -1.010 12.813 269 1HB GLU 33 1HB GLU 33 -1.383 -0.800 15.322 270 2HB GLU 33 2HB GLU 33 -1.531 0.896 14.862 271 1HG GLU 33 1HG GLU 33 -3.824 0.838 14.859 272 2HG GLU 33 2HG GLU 33 -3.885 -0.838 14.315 273 H GLN 34 H GLN 34 0.481 0.944 13.127 274 HA GLN 34 HA GLN 34 -0.427 3.369 11.915 275 1HB GLN 34 1HB GLN 34 1.828 2.744 13.049 276 2HB GLN 34 2HB GLN 34 2.306 2.174 11.452 277 1HG GLN 34 1HG GLN 34 2.988 4.340 11.187 278 2HG GLN 34 2HG GLN 34 1.290 4.592 10.789 279 1HE2 GLN 34 1HE2 GLN 34 1.636 6.884 11.656 280 2HE2 GLN 34 2HE2 GLN 34 1.574 7.125 13.334 281 H VAL 35 H VAL 35 0.449 0.250 10.412 282 HA VAL 35 HA VAL 35 0.187 1.517 7.718 283 HB VAL 35 HB VAL 35 0.913 -1.371 8.161 284 1HG1 VAL 35 1HG1 VAL 35 2.504 -0.735 6.265 285 2HG1 VAL 35 2HG1 VAL 35 1.662 0.814 6.217 286 3HG1 VAL 35 3HG1 VAL 35 0.780 -0.679 5.891 287 1HG2 VAL 35 1HG2 VAL 35 2.496 0.934 9.160 288 2HG2 VAL 35 2HG2 VAL 35 3.394 -0.196 8.147 289 3HG2 VAL 35 3HG2 VAL 35 2.593 -0.770 9.605 290 H GLU 36 H GLU 36 -1.079 -1.305 9.593 291 HA GLU 36 HA GLU 36 -2.941 -2.244 7.655 292 1HB GLU 36 1HB GLU 36 -2.281 -3.318 9.854 293 2HB GLU 36 2HB GLU 36 -3.368 -2.185 10.659 294 1HG GLU 36 1HG GLU 36 -5.057 -3.103 8.784 295 2HG GLU 36 2HG GLU 36 -4.011 -4.517 8.919 296 H LYS 37 H LYS 37 -3.234 0.546 9.870 297 HA LYS 37 HA LYS 37 -6.107 0.861 9.205 298 1HB LYS 37 1HB LYS 37 -4.102 2.226 10.989 299 2HB LYS 37 2HB LYS 37 -5.624 3.036 10.618 300 1HG LYS 37 1HG LYS 37 -6.915 1.324 11.613 301 2HG LYS 37 2HG LYS 37 -5.573 0.178 11.584 302 1HD LYS 37 1HD LYS 37 -5.686 0.880 13.842 303 2HD LYS 37 2HD LYS 37 -4.371 1.835 13.157 304 1HE LYS 37 1HE LYS 37 -6.240 3.597 12.640 305 2HE LYS 37 2HE LYS 37 -7.159 2.718 13.879 306 1HZ LYS 37 1HZ LYS 37 -5.318 2.944 15.398 307 2HZ LYS 37 2HZ LYS 37 -5.764 4.486 14.838 308 3HZ LYS 37 3HZ LYS 37 -4.380 3.721 14.216 309 H GLU 38 H GLU 38 -3.061 2.728 8.616 310 HA GLU 38 HA GLU 38 -4.372 4.729 6.985 311 1HB GLU 38 1HB GLU 38 -1.497 3.752 7.137 312 2HB GLU 38 2HB GLU 38 -2.007 5.227 6.331 313 1HG GLU 38 1HG GLU 38 -3.062 5.037 9.054 314 2HG GLU 38 2HG GLU 38 -1.303 5.014 9.013 315 H LEU 39 H LEU 39 -2.525 1.738 6.144 316 HA LEU 39 HA LEU 39 -2.796 1.947 3.295 317 1HB LEU 39 1HB LEU 39 -1.557 0.222 4.932 318 2HB LEU 39 2HB LEU 39 -3.006 -0.734 4.622 319 HG LEU 39 HG LEU 39 -2.587 -0.272 2.135 320 1HD1 LEU 39 1HD1 LEU 39 0.225 0.298 3.074 321 2HD1 LEU 39 2HD1 LEU 39 -0.920 1.599 2.751 322 3HD1 LEU 39 3HD1 LEU 39 -0.450 0.498 1.457 323 1HD2 LEU 39 1HD2 LEU 39 -1.861 -2.336 3.701 324 2HD2 LEU 39 2HD2 LEU 39 -0.256 -1.796 3.209 325 3HD2 LEU 39 3HD2 LEU 39 -1.440 -2.268 1.990 326 H LEU 40 H LEU 40 -5.112 0.751 5.767 327 HA LEU 40 HA LEU 40 -7.016 -0.480 4.024 328 1HB LEU 40 1HB LEU 40 -7.072 -0.513 6.522 329 2HB LEU 40 2HB LEU 40 -7.532 1.189 6.516 330 HG LEU 40 HG LEU 40 -9.459 0.368 4.923 331 1HD1 LEU 40 1HD1 LEU 40 -10.054 -2.018 6.066 332 2HD1 LEU 40 2HD1 LEU 40 -8.295 -2.132 6.025 333 3HD1 LEU 40 3HD1 LEU 40 -9.197 -1.872 4.532 334 1HD2 LEU 40 1HD2 LEU 40 -10.056 1.328 7.000 335 2HD2 LEU 40 2HD2 LEU 40 -9.267 0.045 7.918 336 3HD2 LEU 40 3HD2 LEU 40 -10.776 -0.280 7.064 337 H ARG 41 H ARG 41 -6.526 2.988 4.821 338 HA ARG 41 HA ARG 41 -8.886 4.053 3.614 339 1HB ARG 41 1HB ARG 41 -6.055 5.122 3.867 340 2HB ARG 41 2HB ARG 41 -7.395 6.104 3.273 341 1HG ARG 41 1HG ARG 41 -7.812 4.622 5.829 342 2HG ARG 41 2HG ARG 41 -6.751 6.032 5.871 343 1HD ARG 41 1HD ARG 41 -8.621 7.301 4.653 344 2HD ARG 41 2HD ARG 41 -9.667 5.925 5.058 345 HE ARG 41 HE ARG 41 -8.986 6.327 7.471 346 1HH1 ARG 41 1HH1 ARG 41 -6.892 8.405 6.854 347 2HH1 ARG 41 2HH1 ARG 41 -7.740 9.875 7.202 348 1HH2 ARG 41 1HH2 ARG 41 -10.872 8.390 7.161 349 2HH2 ARG 41 2HH2 ARG 41 -9.993 9.866 7.377 350 H VAL 42 H VAL 42 -5.761 3.108 2.107 351 HA VAL 42 HA VAL 42 -6.245 4.148 -0.517 352 HB VAL 42 HB VAL 42 -4.774 1.635 0.378 353 1HG1 VAL 42 1HG1 VAL 42 -4.777 1.275 -1.893 354 2HG1 VAL 42 2HG1 VAL 42 -3.464 2.451 -1.843 355 3HG1 VAL 42 3HG1 VAL 42 -5.095 2.969 -2.266 356 1HG2 VAL 42 1HG2 VAL 42 -2.811 3.329 -0.069 357 2HG2 VAL 42 2HG2 VAL 42 -3.699 3.412 1.453 358 3HG2 VAL 42 3HG2 VAL 42 -4.064 4.549 0.155 359 H GLY 43 H GLY 43 -7.320 1.063 0.984 360 1HA GLY 43 1HA GLY 43 -8.451 -0.054 -1.408 361 2HA GLY 43 2HA GLY 43 -8.888 -0.513 0.240 362 H GLN 44 H GLN 44 -9.904 1.874 1.271 363 HA GLN 44 HA GLN 44 -12.580 1.942 0.235 364 1HB GLN 44 1HB GLN 44 -10.919 3.670 2.049 365 2HB GLN 44 2HB GLN 44 -12.495 4.267 1.525 366 1HG GLN 44 1HG GLN 44 -13.462 2.043 2.285 367 2HG GLN 44 2HG GLN 44 -11.899 1.711 3.034 368 1HE2 GLN 44 1HE2 GLN 44 -14.707 3.954 3.155 369 2HE2 GLN 44 2HE2 GLN 44 -14.367 4.528 4.715 370 H ILE 45 H ILE 45 -9.751 4.047 -0.458 371 HA ILE 45 HA ILE 45 -11.097 6.014 -2.058 372 HB ILE 45 HB ILE 45 -8.284 4.848 -2.180 373 1HG1 ILE 45 1HG1 ILE 45 -9.011 7.559 -1.118 374 2HG1 ILE 45 2HG1 ILE 45 -9.311 6.139 -0.117 375 1HG2 ILE 45 1HG2 ILE 45 -8.599 7.599 -3.151 376 2HG2 ILE 45 2HG2 ILE 45 -9.451 6.435 -4.160 377 3HG2 ILE 45 3HG2 ILE 45 -7.724 6.250 -3.872 378 1HD1 ILE 45 1HD1 ILE 45 -6.650 6.196 -1.401 379 2HD1 ILE 45 2HD1 ILE 45 -7.094 5.781 0.255 380 3HD1 ILE 45 3HD1 ILE 45 -6.923 7.471 -0.214 381 H LEU 46 H LEU 46 -9.585 2.890 -3.022 382 HA LEU 46 HA LEU 46 -10.320 3.173 -5.824 383 1HB LEU 46 1HB LEU 46 -8.577 1.617 -4.565 384 2HB LEU 46 2HB LEU 46 -9.940 0.505 -4.478 385 HG LEU 46 HG LEU 46 -8.592 0.061 -6.478 386 1HD1 LEU 46 1HD1 LEU 46 -10.372 -0.158 -7.972 387 2HD1 LEU 46 2HD1 LEU 46 -11.070 1.397 -7.520 388 3HD1 LEU 46 3HD1 LEU 46 -11.212 0.017 -6.431 389 1HD2 LEU 46 1HD2 LEU 46 -7.885 2.553 -6.623 390 2HD2 LEU 46 2HD2 LEU 46 -9.381 2.776 -7.529 391 3HD2 LEU 46 3HD2 LEU 46 -8.139 1.683 -8.136 392 H LYS 47 H LYS 47 -11.917 1.656 -3.000 393 HA LYS 47 HA LYS 47 -14.056 0.446 -4.579 394 1HB LYS 47 1HB LYS 47 -13.125 0.049 -2.083 395 2HB LYS 47 2HB LYS 47 -14.439 1.162 -1.699 396 1HG LYS 47 1HG LYS 47 -15.464 -0.962 -1.598 397 2HG LYS 47 2HG LYS 47 -15.896 -0.366 -3.202 398 1HD LYS 47 1HD LYS 47 -15.110 -2.439 -3.815 399 2HD LYS 47 2HD LYS 47 -13.577 -1.566 -3.828 400 1HE LYS 47 1HE LYS 47 -13.524 -2.237 -1.263 401 2HE LYS 47 2HE LYS 47 -14.617 -3.526 -1.807 402 1HZ LYS 47 1HZ LYS 47 -11.947 -2.864 -2.931 403 2HZ LYS 47 2HZ LYS 47 -13.026 -3.978 -3.627 404 3HZ LYS 47 3HZ LYS 47 -12.369 -4.274 -2.088 405 H GLU 48 H GLU 48 -13.560 3.605 -2.967 406 HA GLU 48 HA GLU 48 -16.264 4.491 -2.982 407 1HB GLU 48 1HB GLU 48 -13.564 5.777 -3.025 408 2HB GLU 48 2HB GLU 48 -14.958 6.805 -3.361 409 1HG GLU 48 1HG GLU 48 -15.179 4.959 -1.034 410 2HG GLU 48 2HG GLU 48 -14.096 6.340 -0.857 411 HA PRO 49 HA PRO 49 -16.989 4.842 -7.349 412 1HB PRO 49 1HB PRO 49 -19.121 6.557 -7.326 413 2HB PRO 49 2HB PRO 49 -19.255 4.842 -6.885 414 1HG PRO 49 1HG PRO 49 -19.078 7.240 -5.130 415 2HG PRO 49 2HG PRO 49 -20.060 5.777 -4.948 416 1HD PRO 49 1HD PRO 49 -17.757 6.213 -3.564 417 2HD PRO 49 2HD PRO 49 -18.351 4.592 -3.987 418 H LYS 50 H LYS 50 -16.967 7.873 -5.406 419 HA LYS 50 HA LYS 50 -16.506 9.721 -7.537 420 1HB LYS 50 1HB LYS 50 -17.017 10.242 -5.117 421 2HB LYS 50 2HB LYS 50 -15.344 9.836 -4.731 422 1HG LYS 50 1HG LYS 50 -14.731 11.554 -6.583 423 2HG LYS 50 2HG LYS 50 -16.389 12.126 -6.389 424 1HD LYS 50 1HD LYS 50 -16.007 12.948 -4.274 425 2HD LYS 50 2HD LYS 50 -14.796 11.721 -3.903 426 1HE LYS 50 1HE LYS 50 -13.072 12.934 -4.861 427 2HE LYS 50 2HE LYS 50 -14.143 13.715 -6.042 428 1HZ LYS 50 1HZ LYS 50 -14.256 14.201 -3.114 429 2HZ LYS 50 2HZ LYS 50 -15.129 15.020 -4.319 430 3HZ LYS 50 3HZ LYS 50 -13.444 15.211 -4.207 431 H MET 51 H MET 51 -14.210 7.532 -5.878 432 HA MET 51 HA MET 51 -11.936 8.783 -7.342 433 1HB MET 51 1HB MET 51 -12.329 7.302 -4.882 434 2HB MET 51 2HB MET 51 -11.088 6.522 -5.859 435 1HG MET 51 1HG MET 51 -11.130 9.477 -5.198 436 2HG MET 51 2HG MET 51 -10.177 8.276 -4.333 437 1HE MET 51 1HE MET 51 -7.160 9.393 -5.805 438 2HE MET 51 2HE MET 51 -7.488 7.738 -5.297 439 3HE MET 51 3HE MET 51 -8.242 9.081 -4.440 440 H ALA 52 H ALA 52 -13.852 5.760 -7.363 441 HA ALA 52 HA ALA 52 -12.159 4.086 -8.901 442 1HB ALA 52 1HB ALA 52 -15.105 4.427 -8.534 443 2HB ALA 52 2HB ALA 52 -14.103 2.998 -8.276 444 3HB ALA 52 3HB ALA 52 -14.591 3.450 -9.910 445 H ALA 53 H ALA 53 -14.291 6.740 -10.020 446 HA ALA 53 HA ALA 53 -13.979 6.306 -12.845 447 1HB ALA 53 1HB ALA 53 -14.526 8.789 -12.954 448 2HB ALA 53 2HB ALA 53 -14.439 8.810 -11.192 449 3HB ALA 53 3HB ALA 53 -15.657 7.825 -12.003 450 H SER 54 H SER 54 -11.697 7.657 -10.479 451 HA SER 54 HA SER 54 -9.980 8.711 -12.685 452 1HB SER 54 1HB SER 54 -10.633 9.894 -10.422 453 2HB SER 54 2HB SER 54 -9.373 8.871 -9.734 454 HG SER 54 HG SER 54 -8.684 10.983 -10.528 455 H LEU 55 H LEU 55 -9.745 6.500 -9.833 456 HA LEU 55 HA LEU 55 -7.066 5.617 -10.344 457 1HB LEU 55 1HB LEU 55 -9.442 4.217 -9.073 458 2HB LEU 55 2HB LEU 55 -7.791 3.600 -9.007 459 HG LEU 55 HG LEU 55 -8.191 6.441 -8.213 460 1HD1 LEU 55 1HD1 LEU 55 -8.714 4.312 -6.164 461 2HD1 LEU 55 2HD1 LEU 55 -10.043 4.871 -7.180 462 3HD1 LEU 55 3HD1 LEU 55 -9.179 6.012 -6.148 463 1HD2 LEU 55 1HD2 LEU 55 -5.964 5.506 -8.150 464 2HD2 LEU 55 2HD2 LEU 55 -6.526 4.100 -7.246 465 3HD2 LEU 55 3HD2 LEU 55 -6.507 5.689 -6.482 466 H LEU 56 H LEU 56 -10.161 4.542 -11.793 467 HA LEU 56 HA LEU 56 -8.662 2.471 -13.355 468 1HB LEU 56 1HB LEU 56 -10.663 1.806 -12.061 469 2HB LEU 56 2HB LEU 56 -11.630 2.987 -12.940 470 HG LEU 56 HG LEU 56 -10.151 1.210 -14.742 471 1HD1 LEU 56 1HD1 LEU 56 -10.851 -0.157 -12.541 472 2HD1 LEU 56 2HD1 LEU 56 -10.965 -0.859 -14.155 473 3HD1 LEU 56 3HD1 LEU 56 -12.402 -0.192 -13.381 474 1HD2 LEU 56 1HD2 LEU 56 -12.256 2.809 -15.023 475 2HD2 LEU 56 2HD2 LEU 56 -13.140 1.361 -14.540 476 3HD2 LEU 56 3HD2 LEU 56 -12.118 1.332 -15.976 477 H ASN 57 H ASN 57 -8.799 5.593 -13.929 478 HA ASN 57 HA ASN 57 -10.117 5.444 -16.600 479 1HB ASN 57 1HB ASN 57 -9.889 7.395 -14.517 480 2HB ASN 57 2HB ASN 57 -9.099 8.049 -15.950 481 1HD2 ASN 57 1HD2 ASN 57 -10.759 9.529 -16.655 482 2HD2 ASN 57 2HD2 ASN 57 -12.318 9.014 -17.089 483 HA PRO 58 HA PRO 58 -6.024 5.356 -18.357 484 1HB PRO 58 1HB PRO 58 -6.719 5.588 -20.985 485 2HB PRO 58 2HB PRO 58 -6.908 4.082 -20.068 486 1HG PRO 58 1HG PRO 58 -8.945 6.043 -20.914 487 2HG PRO 58 2HG PRO 58 -9.091 4.302 -20.645 488 1HD PRO 58 1HD PRO 58 -9.926 6.323 -18.898 489 2HD PRO 58 2HD PRO 58 -9.753 4.599 -18.508 490 H TYR 59 H TYR 59 -8.032 8.096 -18.167 491 HA TYR 59 HA TYR 59 -6.429 9.828 -19.936 492 1HB TYR 59 1HB TYR 59 -8.742 10.368 -18.038 493 2HB TYR 59 2HB TYR 59 -8.096 11.523 -19.208 494 HD1 TYR 59 HD1 TYR 59 -8.407 11.183 -21.623 495 HD2 TYR 59 HD2 TYR 59 -10.073 8.441 -18.756 496 HE1 TYR 59 HE1 TYR 59 -9.845 10.204 -23.390 497 HE2 TYR 59 HE2 TYR 59 -11.504 7.467 -20.525 498 HH TYR 59 HH TYR 59 -12.230 8.882 -23.294 499 H VAL 60 H VAL 60 -6.289 8.788 -16.595 500 HA VAL 60 HA VAL 60 -5.031 11.299 -15.656 501 HB VAL 60 HB VAL 60 -5.366 8.595 -14.312 502 1HG1 VAL 60 1HG1 VAL 60 -4.513 11.325 -13.361 503 2HG1 VAL 60 2HG1 VAL 60 -3.748 9.765 -13.062 504 3HG1 VAL 60 3HG1 VAL 60 -5.259 10.177 -12.251 505 1HG2 VAL 60 1HG2 VAL 60 -7.059 11.089 -13.988 506 2HG2 VAL 60 2HG2 VAL 60 -7.380 9.480 -13.338 507 3HG2 VAL 60 3HG2 VAL 60 -7.493 9.768 -15.075 508 H LYS 61 H LYS 61 -3.748 8.949 -17.642 509 HA LYS 61 HA LYS 61 -1.567 8.174 -18.042 510 1HB LYS 61 1HB LYS 61 -1.600 10.873 -17.616 511 2HB LYS 61 2HB LYS 61 -0.418 10.361 -16.412 512 1HG LYS 61 1HG LYS 61 1.087 9.628 -17.993 513 2HG LYS 61 2HG LYS 61 -0.177 9.184 -19.141 514 1HD LYS 61 1HD LYS 61 -0.569 11.849 -19.086 515 2HD LYS 61 2HD LYS 61 1.155 11.810 -18.712 516 1HE LYS 61 1HE LYS 61 1.367 10.197 -20.730 517 2HE LYS 61 2HE LYS 61 -0.247 10.778 -21.182 518 1HZ LYS 61 1HZ LYS 61 1.524 12.169 -22.130 519 2HZ LYS 61 2HZ LYS 61 2.079 12.522 -20.564 520 3HZ LYS 61 3HZ LYS 61 0.539 13.041 -21.059 521 H ARG 62 H ARG 62 0.734 7.916 -16.692 522 HA ARG 62 HA ARG 62 -0.053 6.511 -14.161 523 1HB ARG 62 1HB ARG 62 0.988 5.201 -16.006 524 2HB ARG 62 2HB ARG 62 2.402 6.254 -15.936 525 1HG ARG 62 1HG ARG 62 2.321 5.574 -13.355 526 2HG ARG 62 2HG ARG 62 1.501 4.156 -14.008 527 1HD ARG 62 1HD ARG 62 3.945 3.769 -13.886 528 2HD ARG 62 2HD ARG 62 3.414 3.807 -15.579 529 HE ARG 62 HE ARG 62 4.514 6.250 -14.235 530 1HH1 ARG 62 1HH2 ARG 62 3.451 5.078 -17.160 531 2HH1 ARG 62 2HH2 ARG 62 4.873 5.492 -18.059 532 1HH2 ARG 62 1HH1 ARG 62 6.728 6.328 -15.252 533 2HH2 ARG 62 2HH1 ARG 62 6.727 6.199 -16.980 534 H SER 63 H SER 63 2.671 8.488 -15.503 535 HA SER 63 HA SER 63 3.973 9.002 -13.005 536 1HB SER 63 1HB SER 63 5.227 9.680 -14.844 537 2HB SER 63 2HB SER 63 3.825 10.326 -15.690 538 HG SER 63 HG SER 63 5.290 11.447 -13.543 539 H VAL 64 H VAL 64 1.282 10.757 -14.615 540 HA VAL 64 HA VAL 64 1.123 12.914 -12.692 541 HB VAL 64 HB VAL 64 -1.033 11.642 -14.432 542 1HG1 VAL 64 1HG1 VAL 64 -2.155 13.831 -14.234 543 2HG1 VAL 64 2HG1 VAL 64 -0.876 14.396 -13.160 544 3HG1 VAL 64 3HG1 VAL 64 -1.948 13.092 -12.646 545 1HG2 VAL 64 1HG2 VAL 64 0.594 12.358 -15.950 546 2HG2 VAL 64 2HG2 VAL 64 1.119 13.686 -14.915 547 3HG2 VAL 64 3HG2 VAL 64 -0.403 13.805 -15.798 548 H LYS 65 H LYS 65 -0.484 9.698 -12.854 549 HA LYS 65 HA LYS 65 -2.170 10.047 -10.544 550 1HB LYS 65 1HB LYS 65 -2.170 8.188 -12.335 551 2HB LYS 65 2HB LYS 65 -0.875 7.442 -11.396 552 1HG LYS 65 1HG LYS 65 -2.261 7.030 -9.560 553 2HG LYS 65 2HG LYS 65 -3.412 8.285 -10.023 554 1HD LYS 65 1HD LYS 65 -3.003 5.964 -11.872 555 2HD LYS 65 2HD LYS 65 -3.985 5.731 -10.424 556 1HE LYS 65 1HE LYS 65 -5.426 7.628 -11.079 557 2HE LYS 65 2HE LYS 65 -4.440 7.871 -12.536 558 1HZ LYS 65 1HZ LYS 65 -5.716 5.285 -11.834 559 2HZ LYS 65 2HZ LYS 65 -4.958 5.697 -13.297 560 3HZ LYS 65 3HZ LYS 65 -6.434 6.421 -12.868 561 H VAL 66 H VAL 66 1.216 8.870 -10.850 562 HA VAL 66 HA VAL 66 1.533 8.139 -8.068 563 HB VAL 66 HB VAL 66 3.590 9.118 -10.089 564 1HG1 VAL 66 1HG1 VAL 66 4.978 7.438 -8.567 565 2HG1 VAL 66 2HG1 VAL 66 3.765 7.882 -7.365 566 3HG1 VAL 66 3HG1 VAL 66 4.779 9.126 -8.096 567 1HG2 VAL 66 1HG2 VAL 66 2.815 7.231 -11.148 568 2HG2 VAL 66 2HG2 VAL 66 2.162 6.540 -9.663 569 3HG2 VAL 66 3HG2 VAL 66 3.890 6.433 -9.999 570 H LYS 67 H LYS 67 2.231 11.201 -9.835 571 HA LYS 67 HA LYS 67 3.276 12.638 -7.560 572 1HB LYS 67 1HB LYS 67 3.035 13.167 -10.203 573 2HB LYS 67 2HB LYS 67 1.660 14.098 -9.607 574 1HG LYS 67 1HG LYS 67 4.218 14.378 -8.109 575 2HG LYS 67 2HG LYS 67 4.150 15.115 -9.711 576 1HD LYS 67 1HD LYS 67 2.075 16.305 -9.064 577 2HD LYS 67 2HD LYS 67 2.184 15.597 -7.452 578 1HE LYS 67 1HE LYS 67 4.027 16.898 -6.858 579 2HE LYS 67 2HE LYS 67 4.549 17.106 -8.541 580 1HZ LYS 67 1HZ LYS 67 2.171 18.312 -7.234 581 2HZ LYS 67 2HZ LYS 67 2.432 18.339 -8.913 582 3HZ LYS 67 3HZ LYS 67 3.515 19.128 -7.867 583 H SER 68 H SER 68 -0.075 12.244 -8.797 584 HA SER 68 HA SER 68 -1.375 14.063 -7.008 585 1HB SER 68 1HB SER 68 -2.175 11.558 -8.471 586 2HB SER 68 2HB SER 68 -3.305 12.285 -7.332 587 HG SER 68 HG SER 68 -2.167 13.381 -9.677 588 H LEU 69 H LEU 69 -0.353 10.655 -6.504 589 HA LEU 69 HA LEU 69 -1.681 10.225 -3.995 590 1HB LEU 69 1HB LEU 69 0.833 9.148 -5.281 591 2HB LEU 69 2HB LEU 69 0.364 8.630 -3.662 592 HG LEU 69 HG LEU 69 -1.421 8.460 -6.108 593 1HD1 LEU 69 1HD1 LEU 69 0.030 6.744 -6.574 594 2HD1 LEU 69 2HD1 LEU 69 -0.971 5.898 -5.394 595 3HD1 LEU 69 3HD1 LEU 69 0.567 6.605 -4.901 596 1HD2 LEU 69 1HD2 LEU 69 -1.754 7.932 -3.197 597 2HD2 LEU 69 2HD2 LEU 69 -2.452 6.741 -4.294 598 3HD2 LEU 69 3HD2 LEU 69 -2.950 8.429 -4.392 599 H SER 70 H SER 70 1.624 11.506 -4.670 600 HA SER 70 HA SER 70 2.361 11.939 -1.921 601 1HB SER 70 1HB SER 70 3.743 12.089 -4.146 602 2HB SER 70 2HB SER 70 3.206 13.767 -4.175 603 HG SER 70 HG SER 70 4.248 14.130 -2.276 604 H ASP 71 H ASP 71 0.675 14.079 -4.271 605 HA ASP 71 HA ASP 71 0.473 16.324 -2.424 606 1HB ASP 71 1HB ASP 71 0.126 16.038 -5.080 607 2HB ASP 71 2HB ASP 71 -1.561 15.919 -4.579 608 H MET 72 H MET 72 -1.420 13.357 -2.810 609 HA MET 72 HA MET 72 -3.687 14.452 -1.226 610 1HB MET 72 1HB MET 72 -3.877 12.758 -3.156 611 2HB MET 72 2HB MET 72 -3.145 11.580 -2.065 612 1HG MET 72 1HG MET 72 -4.973 12.068 -0.414 613 2HG MET 72 2HG MET 72 -5.740 13.084 -1.634 614 1HE MET 72 1HE MET 72 -3.772 9.605 -2.418 615 2HE MET 72 2HE MET 72 -5.015 8.578 -1.705 616 3HE MET 72 3HE MET 72 -4.239 9.820 -0.725 617 H THR 73 H THR 73 -1.030 12.059 -0.958 618 HA THR 73 HA THR 73 -1.474 11.236 1.746 619 HB THR 73 HB THR 73 0.873 11.423 -0.150 620 HG1 THR 73 HG1 THR 73 -0.427 9.710 -0.476 621 1HG2 THR 73 1HG2 THR 73 2.222 11.647 1.673 622 2HG2 THR 73 2HG2 THR 73 1.971 9.903 1.760 623 3HG2 THR 73 3HG2 THR 73 1.024 10.983 2.784 624 H ALA 74 H ALA 74 0.241 14.111 0.401 625 HA ALA 74 HA ALA 74 1.319 15.050 2.918 626 1HB ALA 74 1HB ALA 74 1.543 17.198 1.709 627 2HB ALA 74 2HB ALA 74 0.453 16.610 0.454 628 3HB ALA 74 3HB ALA 74 2.031 15.856 0.675 629 H LYS 75 H LYS 75 -1.842 15.593 1.299 630 HA LYS 75 HA LYS 75 -2.734 17.425 3.448 631 1HB LYS 75 1HB LYS 75 -3.883 16.299 0.901 632 2HB LYS 75 2HB LYS 75 -4.943 17.099 2.061 633 1HG LYS 75 1HG LYS 75 -2.389 18.444 1.232 634 2HG LYS 75 2HG LYS 75 -3.791 18.513 0.163 635 1HD LYS 75 1HD LYS 75 -4.131 19.158 3.076 636 2HD LYS 75 2HD LYS 75 -3.459 20.376 1.993 637 1HE LYS 75 1HE LYS 75 -5.443 20.636 0.833 638 2HE LYS 75 2HE LYS 75 -5.934 18.951 1.095 639 1HZ LYS 75 1HZ LYS 75 -7.206 20.509 2.486 640 2HZ LYS 75 2HZ LYS 75 -5.762 21.022 3.220 641 3HZ LYS 75 3HZ LYS 75 -6.297 19.422 3.416 642 H GLU 76 H GLU 76 -3.147 13.978 2.582 643 HA GLU 76 HA GLU 76 -5.326 13.552 4.499 644 1HB GLU 76 1HB GLU 76 -4.537 12.231 2.325 645 2HB GLU 76 2HB GLU 76 -3.587 11.328 3.505 646 1HG GLU 76 1HG GLU 76 -5.457 10.472 4.564 647 2HG GLU 76 2HG GLU 76 -6.467 11.848 4.121 648 H LYS 77 H LYS 77 -1.957 14.030 5.031 649 HA LYS 77 HA LYS 77 -0.596 13.631 6.896 650 1HB LYS 77 1HB LYS 77 -3.406 13.794 7.817 651 2HB LYS 77 2HB LYS 77 -2.317 12.990 8.945 652 1HG LYS 77 1HG LYS 77 -2.174 15.276 9.537 653 2HG LYS 77 2HG LYS 77 -0.736 14.995 8.555 654 1HD LYS 77 1HD LYS 77 -2.430 15.669 6.590 655 2HD LYS 77 2HD LYS 77 -3.197 16.552 7.911 656 1HE LYS 77 1HE LYS 77 -0.580 17.200 8.344 657 2HE LYS 77 2HE LYS 77 -0.603 17.058 6.574 658 1HZ LYS 77 1HZ LYS 77 -2.675 18.402 6.607 659 2HZ LYS 77 2HZ LYS 77 -1.306 19.256 7.137 660 3HZ LYS 77 3HZ LYS 77 -2.436 18.674 8.264 661 H PHE 78 H PHE 78 -0.787 11.437 5.157 662 HA PHE 78 HA PHE 78 -1.663 8.972 6.317 663 1HB PHE 78 1HB PHE 78 0.060 9.828 4.107 664 2HB PHE 78 2HB PHE 78 0.637 8.339 4.842 665 HD1 PHE 78 HD1 PHE 78 -1.155 9.325 2.178 666 HD2 PHE 78 HD2 PHE 78 -1.727 6.917 5.695 667 HE1 PHE 78 HE1 PHE 78 -2.964 8.077 1.029 668 HE2 PHE 78 HE2 PHE 78 -3.533 5.677 4.542 669 HZ PHE 78 HZ PHE 78 -4.153 6.251 2.213 670 H SER 79 H SER 79 0.449 7.213 6.635 671 HA SER 79 HA SER 79 1.802 8.317 9.054 672 1HB SER 79 1HB SER 79 0.317 5.910 8.379 673 2HB SER 79 2HB SER 79 1.902 5.501 9.019 674 HG SER 79 HG SER 79 -0.195 6.973 10.198 675 HA PRO 80 HA PRO 80 5.752 7.415 7.377 676 1HB PRO 80 1HB PRO 80 7.001 5.708 9.099 677 2HB PRO 80 2HB PRO 80 6.737 7.428 9.440 678 1HG PRO 80 1HG PRO 80 5.194 5.059 10.378 679 2HG PRO 80 2HG PRO 80 5.687 6.510 11.269 680 1HD PRO 80 1HD PRO 80 3.191 6.175 10.314 681 2HD PRO 80 2HD PRO 80 3.955 7.772 10.441 682 H LEU 81 H LEU 81 3.605 4.672 7.806 683 HA LEU 81 HA LEU 81 5.353 3.048 6.005 684 1HB LEU 81 1HB LEU 81 3.453 2.504 8.240 685 2HB LEU 81 2HB LEU 81 3.459 1.345 6.906 686 HG LEU 81 HG LEU 81 5.066 0.706 8.696 687 1HD1 LEU 81 1HD1 LEU 81 6.799 0.078 7.236 688 2HD1 LEU 81 2HD1 LEU 81 6.670 1.568 6.297 689 3HD1 LEU 81 3HD1 LEU 81 5.429 0.324 6.151 690 1HD2 LEU 81 1HD2 LEU 81 6.936 2.891 7.936 691 2HD2 LEU 81 2HD2 LEU 81 6.704 2.098 9.495 692 3HD2 LEU 81 3HD2 LEU 81 5.580 3.350 8.967 693 H THR 82 H THR 82 2.865 5.237 5.656 694 HA THR 82 HA THR 82 1.465 3.540 3.645 695 HB THR 82 HB THR 82 0.314 6.095 4.724 696 HG1 THR 82 HG1 THR 82 0.426 3.615 6.153 697 1HG2 THR 82 1HG2 THR 82 -1.656 4.299 4.698 698 2HG2 THR 82 2HG2 THR 82 -0.563 3.459 3.605 699 3HG2 THR 82 3HG2 THR 82 -1.124 5.084 3.214 700 H SER 83 H SER 83 3.813 6.005 3.699 701 HA SER 83 HA SER 83 2.758 7.147 1.143 702 1HB SER 83 1HB SER 83 3.883 9.129 1.723 703 2HB SER 83 2HB SER 83 3.451 8.519 3.317 704 HG SER 83 HG SER 83 5.699 9.132 3.048 705 H ASN 84 H ASN 84 3.934 4.540 1.285 706 HA ASN 84 HA ASN 84 6.288 4.920 -0.515 707 1HB ASN 84 1HB ASN 84 6.118 3.570 2.144 708 2HB ASN 84 2HB ASN 84 6.980 2.681 0.888 709 1HD2 ASN 84 1HD2 ASN 84 7.117 5.541 2.973 710 2HD2 ASN 84 2HD2 ASN 84 8.675 6.020 2.503 711 H LEU 85 H LEU 85 4.318 2.343 1.064 712 HA LEU 85 HA LEU 85 4.086 0.669 -1.269 713 1HB LEU 85 1HB LEU 85 3.561 -0.220 0.925 714 2HB LEU 85 2HB LEU 85 2.399 1.063 1.241 715 HG LEU 85 HG LEU 85 0.897 0.173 -0.479 716 1HD1 LEU 85 1HD1 LEU 85 1.639 -2.229 -1.328 717 2HD1 LEU 85 2HD1 LEU 85 3.258 -1.593 -1.040 718 3HD1 LEU 85 3HD1 LEU 85 2.180 -0.778 -2.172 719 1HD2 LEU 85 1HD2 LEU 85 0.067 -1.495 0.859 720 2HD2 LEU 85 2HD2 LEU 85 1.318 -0.927 1.962 721 3HD2 LEU 85 3HD2 LEU 85 1.615 -2.338 0.947 722 H ILE 86 H ILE 86 2.408 3.678 -0.254 723 HA ILE 86 HA ILE 86 0.115 3.425 -1.955 724 HB ILE 86 HB ILE 86 0.436 5.123 -0.129 725 1HG1 ILE 86 1HG1 ILE 86 -0.050 6.788 -2.540 726 2HG1 ILE 86 2HG1 ILE 86 -1.036 5.334 -2.396 727 1HG2 ILE 86 1HG2 ILE 86 2.758 5.770 -0.623 728 2HG2 ILE 86 2HG2 ILE 86 1.705 7.183 -0.659 729 3HG2 ILE 86 3HG2 ILE 86 2.248 6.453 -2.168 730 1HD1 ILE 86 1HD1 ILE 86 -2.155 6.110 -0.558 731 2HD1 ILE 86 2HD1 ILE 86 -1.694 7.680 -1.217 732 3HD1 ILE 86 3HD1 ILE 86 -0.739 6.951 0.077 733 H ASN 87 H ASN 87 3.437 4.611 -2.620 734 HA ASN 87 HA ASN 87 2.854 5.548 -5.312 735 1HB ASN 87 1HB ASN 87 5.306 4.792 -3.733 736 2HB ASN 87 2HB ASN 87 5.459 5.032 -5.474 737 1HD2 ASN 87 1HD2 ASN 87 6.550 6.804 -3.281 738 2HD2 ASN 87 2HD2 ASN 87 5.847 8.325 -3.549 739 H LEU 88 H LEU 88 4.314 2.478 -4.093 740 HA LEU 88 HA LEU 88 4.575 1.105 -6.561 741 1HB LEU 88 1HB LEU 88 4.175 0.351 -3.700 742 2HB LEU 88 2HB LEU 88 3.902 -0.916 -4.895 743 HG LEU 88 HG LEU 88 6.353 0.746 -5.229 744 1HD1 LEU 88 1HD1 LEU 88 7.493 -0.951 -3.633 745 2HD1 LEU 88 2HD1 LEU 88 5.877 -1.200 -2.973 746 3HD1 LEU 88 3HD1 LEU 88 6.620 0.398 -2.907 747 1HD2 LEU 88 1HD2 LEU 88 5.603 -2.174 -5.549 748 2HD2 LEU 88 2HD2 LEU 88 7.236 -1.561 -5.806 749 3HD2 LEU 88 3HD2 LEU 88 5.913 -1.004 -6.830 750 H LEU 89 H LEU 89 1.663 1.470 -4.481 751 HA LEU 89 HA LEU 89 -0.052 -0.330 -5.912 752 1HB LEU 89 1HB LEU 89 -0.389 2.057 -4.139 753 2HB LEU 89 2HB LEU 89 -1.796 1.547 -5.072 754 HG LEU 89 HG LEU 89 -0.154 -0.313 -3.332 755 1HD1 LEU 89 1HD1 LEU 89 -2.940 0.461 -2.614 756 2HD1 LEU 89 2HD1 LEU 89 -1.690 1.674 -2.338 757 3HD1 LEU 89 3HD1 LEU 89 -1.569 0.093 -1.568 758 1HD2 LEU 89 1HD2 LEU 89 -2.382 -1.634 -3.612 759 2HD2 LEU 89 2HD2 LEU 89 -1.250 -1.610 -4.966 760 3HD2 LEU 89 3HD2 LEU 89 -2.666 -0.558 -4.981 761 H ALA 90 H ALA 90 0.733 3.123 -6.518 762 HA ALA 90 HA ALA 90 -0.832 2.944 -9.069 763 1HB ALA 90 1HB ALA 90 0.274 5.530 -8.144 764 2HB ALA 90 2HB ALA 90 -0.885 4.783 -7.045 765 3HB ALA 90 3HB ALA 90 -1.351 5.142 -8.708 766 H GLU 91 H GLU 91 2.025 1.855 -8.588 767 HA GLU 91 HA GLU 91 3.588 3.719 -10.334 768 1HB GLU 91 1HB GLU 91 4.252 2.352 -8.072 769 2HB GLU 91 2HB GLU 91 4.785 1.206 -9.299 770 1HG GLU 91 1HG GLU 91 6.427 2.603 -10.088 771 2HG GLU 91 2HG GLU 91 5.500 4.063 -9.735 772 H ASN 92 H ASN 92 2.533 0.259 -10.209 773 HA ASN 92 HA ASN 92 3.215 0.094 -13.129 774 1HB ASN 92 1HB ASN 92 3.084 -1.994 -10.933 775 2HB ASN 92 2HB ASN 92 3.420 -2.355 -12.627 776 1HD2 ASN 92 1HD2 ASN 92 5.083 -2.080 -9.817 777 2HD2 ASN 92 2HD2 ASN 92 6.521 -1.381 -10.384 778 H GLY 93 H GLY 93 0.576 1.073 -11.945 779 1HA GLY 93 1HA GLY 93 -1.669 0.810 -12.564 780 2HA GLY 93 2HA GLY 93 -1.173 -0.523 -13.612 781 H ARG 94 H ARG 94 -0.846 -0.046 -10.055 782 HA ARG 94 HA ARG 94 -2.037 -2.765 -9.741 783 1HB ARG 94 1HB ARG 94 0.312 -1.884 -8.874 784 2HB ARG 94 2HB ARG 94 -0.665 -1.266 -7.543 785 1HG ARG 94 1HG ARG 94 -1.251 -3.375 -6.802 786 2HG ARG 94 2HG ARG 94 -1.114 -4.091 -8.408 787 1HD ARG 94 1HD ARG 94 1.435 -3.030 -7.345 788 2HD ARG 94 2HD ARG 94 0.771 -4.405 -6.440 789 HE ARG 94 HE ARG 94 0.902 -5.746 -8.432 790 1HH1 ARG 94 1HH1 ARG 94 0.070 -3.717 -10.449 791 2HH1 ARG 94 2HH1 ARG 94 1.541 -3.431 -11.317 792 1HH2 ARG 94 1HH2 ARG 94 3.565 -4.841 -8.881 793 2HH2 ARG 94 2HH2 ARG 94 3.520 -4.067 -10.430 794 H LEU 95 H LEU 95 -3.761 -0.337 -10.136 795 HA LEU 95 HA LEU 95 -4.975 -0.096 -7.404 796 1HB LEU 95 1HB LEU 95 -5.078 1.546 -9.947 797 2HB LEU 95 2HB LEU 95 -6.219 1.815 -8.630 798 HG LEU 95 HG LEU 95 -3.211 1.834 -8.275 799 1HD1 LEU 95 1HD1 LEU 95 -3.425 3.786 -9.468 800 2HD1 LEU 95 2HD1 LEU 95 -3.934 4.401 -7.895 801 3HD1 LEU 95 3HD1 LEU 95 -5.142 3.946 -9.098 802 1HD2 LEU 95 1HD2 LEU 95 -4.002 3.140 -6.176 803 2HD2 LEU 95 2HD2 LEU 95 -4.226 1.390 -6.184 804 3HD2 LEU 95 3HD2 LEU 95 -5.590 2.456 -6.523 805 H THR 96 H THR 96 -5.290 -2.472 -9.274 806 HA THR 96 HA THR 96 -8.239 -2.309 -9.780 807 HB THR 96 HB THR 96 -6.597 -4.590 -10.765 808 HG1 THR 96 HG1 THR 96 -5.598 -3.382 -12.320 809 1HG2 THR 96 1HG2 THR 96 -8.378 -2.772 -12.362 810 2HG2 THR 96 2HG2 THR 96 -9.077 -3.933 -11.232 811 3HG2 THR 96 3HG2 THR 96 -8.080 -4.498 -12.574 812 H ASN 97 H ASN 97 -5.654 -4.562 -8.624 813 HA ASN 97 HA ASN 97 -7.675 -5.879 -6.860 814 1HB ASN 97 1HB ASN 97 -4.876 -6.632 -7.785 815 2HB ASN 97 2HB ASN 97 -5.853 -7.614 -6.690 816 1HD2 ASN 97 1HD2 ASN 97 -5.597 -6.475 -10.069 817 2HD2 ASN 97 2HD2 ASN 97 -6.750 -7.557 -10.686 818 H THR 98 H THR 98 -6.578 -3.159 -6.250 819 HA THR 98 HA THR 98 -4.415 -3.349 -4.386 820 HB THR 98 HB THR 98 -5.201 -1.272 -5.526 821 HG1 THR 98 HG1 THR 98 -4.698 -0.000 -3.798 822 1HG2 THR 98 1HG2 THR 98 -7.612 -1.538 -5.249 823 2HG2 THR 98 2HG2 THR 98 -7.092 -0.037 -4.483 824 3HG2 THR 98 3HG2 THR 98 -7.443 -1.455 -3.495 825 HA PRO 99 HA PRO 99 -7.861 -3.539 -0.966 826 1HB PRO 99 1HB PRO 99 -9.865 -5.345 -1.517 827 2HB PRO 99 2HB PRO 99 -10.023 -3.593 -1.756 828 1HG PRO 99 1HG PRO 99 -9.331 -5.712 -3.747 829 2HG PRO 99 2HG PRO 99 -10.477 -4.365 -3.893 830 1HD PRO 99 1HD PRO 99 -8.087 -4.203 -4.994 831 2HD PRO 99 2HD PRO 99 -8.792 -2.792 -4.195 832 H ALA 100 H ALA 100 -7.084 -6.307 -3.121 833 HA ALA 100 HA ALA 100 -6.951 -8.382 -1.151 834 1HB ALA 100 1HB ALA 100 -4.855 -8.189 -3.294 835 2HB ALA 100 2HB ALA 100 -6.543 -8.302 -3.790 836 3HB ALA 100 3HB ALA 100 -5.826 -9.579 -2.808 837 H VAL 101 H VAL 101 -4.562 -5.840 -2.006 838 HA VAL 101 HA VAL 101 -2.386 -6.806 -0.383 839 HB VAL 101 HB VAL 101 -3.190 -3.971 -1.164 840 1HG1 VAL 101 1HG1 VAL 101 -1.591 -3.540 0.452 841 2HG1 VAL 101 2HG1 VAL 101 -0.535 -3.807 -0.935 842 3HG1 VAL 101 3HG1 VAL 101 -0.798 -5.100 0.234 843 1HG2 VAL 101 1HG2 VAL 101 -1.347 -6.016 -2.435 844 2HG2 VAL 101 2HG2 VAL 101 -1.400 -4.320 -2.908 845 3HG2 VAL 101 3HG2 VAL 101 -2.819 -5.340 -3.131 846 H ILE 102 H ILE 102 -5.316 -4.928 0.457 847 HA ILE 102 HA ILE 102 -4.339 -4.258 3.148 848 HB ILE 102 HB ILE 102 -7.146 -4.208 1.974 849 1HG1 ILE 102 1HG1 ILE 102 -5.595 -2.822 0.647 850 2HG1 ILE 102 2HG1 ILE 102 -6.693 -1.802 1.569 851 1HG2 ILE 102 1HG2 ILE 102 -5.907 -2.958 4.435 852 2HG2 ILE 102 2HG2 ILE 102 -7.281 -4.061 4.359 853 3HG2 ILE 102 3HG2 ILE 102 -7.439 -2.413 3.752 854 1HD1 ILE 102 1HD1 ILE 102 -3.826 -2.476 2.293 855 2HD1 ILE 102 2HD1 ILE 102 -4.926 -1.558 3.322 856 3HD1 ILE 102 3HD1 ILE 102 -4.436 -0.911 1.756 857 H SER 103 H SER 103 -6.718 -6.630 1.815 858 HA SER 103 HA SER 103 -7.455 -7.779 4.352 859 1HB SER 103 1HB SER 103 -7.280 -9.449 1.858 860 2HB SER 103 2HB SER 103 -8.568 -9.377 3.057 861 HG SER 103 HG SER 103 -9.306 -7.537 2.166 862 H ALA 104 H ALA 104 -4.952 -8.827 1.970 863 HA ALA 104 HA ALA 104 -3.950 -11.058 3.452 864 1HB ALA 104 1HB ALA 104 -3.053 -10.918 1.316 865 2HB ALA 104 2HB ALA 104 -1.720 -10.207 2.226 866 3HB ALA 104 3HB ALA 104 -2.876 -9.164 1.395 867 H PHE 105 H PHE 105 -3.245 -7.562 3.800 868 HA PHE 105 HA PHE 105 -0.993 -7.705 5.546 869 1HB PHE 105 1HB PHE 105 -2.135 -5.671 4.460 870 2HB PHE 105 2HB PHE 105 -3.278 -5.729 5.800 871 HD1 PHE 105 HD1 PHE 105 -0.205 -4.402 4.696 872 HD2 PHE 105 HD2 PHE 105 -2.159 -5.883 8.217 873 HE1 PHE 105 HE1 PHE 105 1.398 -3.159 6.110 874 HE2 PHE 105 HE2 PHE 105 -0.555 -4.641 9.629 875 HZ PHE 105 HZ PHE 105 1.224 -3.282 8.574 876 H SER 106 H SER 106 -4.504 -7.873 6.312 877 HA SER 106 HA SER 106 -4.138 -7.977 9.190 878 1HB SER 106 1HB SER 106 -6.304 -7.419 8.307 879 2HB SER 106 2HB SER 106 -6.346 -8.870 7.311 880 HG SER 106 HG SER 106 -7.587 -9.140 9.193 881 H THR 107 H THR 107 -4.348 -10.535 6.676 882 HA THR 107 HA THR 107 -4.264 -12.733 8.589 883 HB THR 107 HB THR 107 -3.298 -12.830 5.715 884 HG1 THR 107 HG1 THR 107 -5.400 -12.879 5.074 885 1HG2 THR 107 1HG2 THR 107 -3.354 -14.804 7.484 886 2HG2 THR 107 2HG2 THR 107 -3.830 -15.084 5.809 887 3HG2 THR 107 3HG2 THR 107 -5.062 -14.849 7.049 888 H MET 108 H MET 108 -1.739 -10.942 6.762 889 HA MET 108 HA MET 108 0.423 -12.687 7.658 890 1HB MET 108 1HB MET 108 0.379 -9.826 6.637 891 2HB MET 108 2HB MET 108 1.843 -10.778 6.871 892 1HG MET 108 1HG MET 108 -0.458 -11.616 5.085 893 2HG MET 108 2HG MET 108 1.003 -10.818 4.505 894 1HE MET 108 1HE MET 108 -0.845 -13.686 4.893 895 2HE MET 108 2HE MET 108 -0.262 -14.156 6.487 896 3HE MET 108 3HE MET 108 0.196 -15.105 5.075 897 H MET 109 H MET 109 -1.049 -9.658 8.908 898 HA MET 109 HA MET 109 0.875 -9.065 10.945 899 1HB MET 109 1HB MET 109 -1.107 -7.660 10.226 900 2HB MET 109 2HB MET 109 -2.152 -8.765 11.121 901 1HG MET 109 1HG MET 109 0.206 -7.620 12.555 902 2HG MET 109 2HG MET 109 -1.167 -6.554 12.255 903 1HE MET 109 1HE MET 109 -3.618 -6.857 13.536 904 2HE MET 109 2HE MET 109 -2.167 -6.011 14.067 905 3HE MET 109 3HE MET 109 -3.070 -6.999 15.212 906 H SER 110 H SER 110 -1.889 -11.399 10.967 907 HA SER 110 HA SER 110 -1.784 -12.079 13.748 908 1HB SER 110 1HB SER 110 -2.315 -13.893 11.365 909 2HB SER 110 2HB SER 110 -2.798 -14.222 13.026 910 HG SER 110 HG SER 110 -4.244 -12.594 12.935 911 H VAL 111 H VAL 111 0.409 -13.043 11.105 912 HA VAL 111 HA VAL 111 1.741 -15.090 12.749 913 HB VAL 111 HB VAL 111 2.580 -13.750 10.151 914 1HG1 VAL 111 1HG1 VAL 111 3.646 -16.009 11.788 915 2HG1 VAL 111 2HG1 VAL 111 4.511 -14.839 10.791 916 3HG1 VAL 111 3HG1 VAL 111 3.669 -16.191 10.034 917 1HG2 VAL 111 1HG2 VAL 111 0.957 -16.245 10.734 918 2HG2 VAL 111 2HG2 VAL 111 1.650 -15.882 9.153 919 3HG2 VAL 111 3HG2 VAL 111 0.430 -14.814 9.848 920 H HIS 112 H HIS 112 2.006 -11.600 12.561 921 HA HIS 112 HA HIS 112 4.825 -11.594 13.394 922 1HB HIS 112 1HB HIS 112 4.743 -9.430 12.671 923 2HB HIS 112 2HB HIS 112 3.210 -9.900 11.955 924 HD1 HIS 112 HD1 HIS 112 1.124 -9.630 13.929 925 HD2 HIS 112 HD2 HIS 112 4.458 -7.212 14.141 926 HE1 HIS 112 HE1 HIS 112 0.468 -7.671 15.373 927 H ARG 113 H ARG 113 1.640 -11.632 14.950 928 HA ARG 113 HA ARG 113 2.786 -10.633 17.506 929 1HB ARG 113 1HB ARG 113 0.411 -10.208 16.404 930 2HB ARG 113 2HB ARG 113 0.008 -11.734 17.191 931 1HG ARG 113 1HG ARG 113 0.138 -10.840 19.292 932 2HG ARG 113 2HG ARG 113 1.471 -9.768 18.865 933 1HD ARG 113 1HD ARG 113 0.066 -8.049 18.334 934 2HD ARG 113 2HD ARG 113 -1.082 -9.125 17.513 935 HE ARG 113 HE ARG 113 -0.912 -8.898 20.498 936 1HH1 ARG 113 1HH2 ARG 113 -3.062 -7.298 19.345 937 2HH1 ARG 113 2HH2 ARG 113 -4.403 -8.393 19.295 938 1HH2 ARG 113 1HH1 ARG 113 -2.442 -11.230 19.654 939 2HH2 ARG 113 2HH1 ARG 113 -4.052 -10.619 19.470 940 H GLY 114 H GLY 114 1.701 -13.717 16.025 941 1HA GLY 114 1HA GLY 114 1.515 -15.299 18.358 942 2HA GLY 114 2HA GLY 114 1.965 -15.915 16.771 943 H GLU 115 H GLU 115 4.439 -14.259 16.563 944 HA GLU 115 HA GLU 115 6.102 -15.850 18.484 945 1HB GLU 115 1HB GLU 115 6.578 -14.608 15.765 946 2HB GLU 115 2HB GLU 115 7.898 -15.244 16.748 947 1HG GLU 115 1HG GLU 115 6.328 -17.368 16.910 948 2HG GLU 115 2HG GLU 115 5.646 -16.710 15.422 949 H VAL 116 H VAL 116 6.159 -12.582 16.905 950 HA VAL 116 HA VAL 116 6.992 -10.528 17.714 951 HB VAL 116 HB VAL 116 6.160 -11.852 20.321 952 1HG1 VAL 116 1HG1 VAL 116 5.686 -9.253 20.730 953 2HG1 VAL 116 2HG1 VAL 116 7.010 -9.085 19.577 954 3HG1 VAL 116 3HG1 VAL 116 7.258 -9.970 21.083 955 1HG2 VAL 116 1HG2 VAL 116 4.533 -9.874 18.740 956 2HG2 VAL 116 2HG2 VAL 116 3.988 -11.063 19.923 957 3HG2 VAL 116 3HG2 VAL 116 4.490 -11.585 18.315 958 HA PRO 117 HA PRO 117 11.021 -12.460 18.913 959 1HB PRO 117 1HB PRO 117 12.546 -11.078 17.108 960 2HB PRO 117 2HB PRO 117 11.722 -12.601 16.713 961 1HG PRO 117 1HG PRO 117 10.932 -9.803 16.080 962 2HG PRO 117 2HG PRO 117 10.792 -11.267 15.094 963 1HD PRO 117 1HD PRO 117 8.701 -10.154 16.447 964 2HD PRO 117 2HD PRO 117 8.814 -11.886 16.063 965 H CYS 118 H CYS 118 13.221 -11.017 19.331 966 HA CYS 118 HA CYS 118 12.306 -8.471 20.635 967 1HB CYS 118 1HB CYS 118 12.992 -10.587 21.992 968 2HB CYS 118 2HB CYS 118 14.637 -10.180 21.504 969 HG CYS 118 HG CYS 118 13.350 -8.914 23.787 970 H THR 119 H THR 119 13.504 -6.607 20.108 971 HA THR 119 HA THR 119 16.065 -7.011 18.597 972 HB THR 119 HB THR 119 15.231 -4.967 17.280 973 HG1 THR 119 HG1 THR 119 13.111 -4.473 17.471 974 1HG2 THR 119 1HG2 THR 119 13.394 -6.532 16.136 975 2HG2 THR 119 2HG2 THR 119 14.136 -7.742 17.182 976 3HG2 THR 119 3HG2 THR 119 15.118 -6.879 15.998 977 H VAL 120 H VAL 120 17.526 -5.050 18.737 978 HA VAL 120 HA VAL 120 16.984 -3.432 21.209 979 HB VAL 120 HB VAL 120 19.587 -4.554 20.108 980 1HG1 VAL 120 1HG1 VAL 120 20.418 -3.780 22.411 981 2HG1 VAL 120 2HG1 VAL 120 18.944 -2.816 22.499 982 3HG1 VAL 120 3HG1 VAL 120 20.120 -2.514 21.219 983 1HG2 VAL 120 1HG2 VAL 120 18.547 -5.284 22.799 984 2HG2 VAL 120 2HG2 VAL 120 19.401 -6.275 21.616 985 3HG2 VAL 120 3HG2 VAL 120 17.677 -5.958 21.421 986 1H GLN 1 1H GLN 1 9.102 3.080 -23.030 987 2H GLN 1 2H GLN 1 10.559 2.421 -22.456 988 3H GLN 1 3H GLN 1 9.761 3.629 -21.566 989 HA GLN 1 HA GLN 1 7.836 2.046 -21.328 990 1HB GLN 1 1HB GLN 1 9.995 0.319 -22.574 991 2HB GLN 1 2HB GLN 1 8.565 -0.345 -21.782 992 1HG GLN 1 1HG GLN 1 7.706 -0.221 -23.904 993 2HG GLN 1 2HG GLN 1 7.371 1.442 -23.418 994 1HE2 GLN 1 1HE2 GLN 1 7.685 2.388 -25.561 995 2HE2 GLN 1 2HE2 GLN 1 9.207 2.405 -26.310 996 H LYS 2 H LYS 2 7.843 0.663 -19.324 997 HA LYS 2 HA LYS 2 10.377 0.989 -17.741 998 1HB LYS 2 1HB LYS 2 8.036 2.282 -17.343 999 2HB LYS 2 2HB LYS 2 7.719 0.820 -16.409 1000 1HG LYS 2 1HG LYS 2 8.730 2.340 -14.876 1001 2HG LYS 2 2HG LYS 2 10.001 1.199 -15.314 1002 1HD LYS 2 1HD LYS 2 11.156 3.168 -15.646 1003 2HD LYS 2 2HD LYS 2 10.428 2.999 -17.244 1004 1HE LYS 2 1HE LYS 2 9.763 5.171 -16.766 1005 2HE LYS 2 2HE LYS 2 8.414 4.301 -16.008 1006 1HZ LYS 2 1HZ LYS 2 9.328 5.768 -14.382 1007 2HZ LYS 2 2HZ LYS 2 10.910 5.235 -14.696 1008 3HZ LYS 2 3HZ LYS 2 9.789 4.192 -13.957 1009 H THR 3 H THR 3 11.091 -0.882 -16.624 1010 HA THR 3 HA THR 3 9.351 -3.318 -16.881 1011 HB THR 3 HB THR 3 11.817 -4.339 -16.712 1012 HG1 THR 3 HG1 THR 3 12.945 -2.478 -16.476 1013 1HG2 THR 3 1HG2 THR 3 11.911 -3.872 -19.313 1014 2HG2 THR 3 2HG2 THR 3 10.301 -3.209 -19.035 1015 3HG2 THR 3 3HG2 THR 3 10.642 -4.892 -18.635 1016 H GLY 4 H GLY 4 10.458 -5.064 -15.159 1017 1HA GLY 4 1HA GLY 4 11.525 -5.095 -12.883 1018 2HA GLY 4 2HA GLY 4 10.655 -3.595 -12.557 1019 H THR 5 H THR 5 10.383 -7.093 -12.700 1020 HA THR 5 HA THR 5 7.680 -6.864 -11.448 1021 HB THR 5 HB THR 5 7.240 -8.966 -13.021 1022 HG1 THR 5 HG1 THR 5 8.384 -8.863 -14.892 1023 1HG2 THR 5 1HG2 THR 5 7.207 -6.084 -13.957 1024 2HG2 THR 5 2HG2 THR 5 5.922 -6.913 -13.079 1025 3HG2 THR 5 3HG2 THR 5 6.320 -7.400 -14.726 1026 H ALA 6 H ALA 6 10.014 -7.388 -9.967 1027 HA ALA 6 HA ALA 6 9.637 -10.277 -9.290 1028 1HB ALA 6 1HB ALA 6 11.861 -10.744 -9.641 1029 2HB ALA 6 2HB ALA 6 12.380 -9.137 -9.135 1030 3HB ALA 6 3HB ALA 6 11.738 -9.385 -10.759 1031 H GLU 7 H GLU 7 8.299 -8.699 -7.650 1032 HA GLU 7 HA GLU 7 8.113 -7.875 -5.449 1033 1HB GLU 7 1HB GLU 7 9.555 -10.191 -5.438 1034 2HB GLU 7 2HB GLU 7 10.707 -9.095 -4.677 1035 1HG GLU 7 1HG GLU 7 8.875 -8.376 -3.107 1036 2HG GLU 7 2HG GLU 7 7.862 -9.647 -3.792 1037 H VAL 8 H VAL 8 9.357 -6.081 -7.320 1038 HA VAL 8 HA VAL 8 11.861 -4.996 -6.485 1039 HB VAL 8 HB VAL 8 11.087 -2.918 -7.606 1040 1HG1 VAL 8 1HG1 VAL 8 11.749 -4.195 -9.355 1041 2HG1 VAL 8 2HG1 VAL 8 10.028 -4.393 -9.681 1042 3HG1 VAL 8 3HG1 VAL 8 10.899 -5.619 -8.760 1043 1HG2 VAL 8 1HG2 VAL 8 8.716 -3.135 -6.645 1044 2HG2 VAL 8 2HG2 VAL 8 8.405 -4.281 -7.947 1045 3HG2 VAL 8 3HG2 VAL 8 8.834 -2.615 -8.324 1046 H SER 9 H SER 9 8.631 -4.576 -5.031 1047 HA SER 9 HA SER 9 9.375 -2.301 -3.367 1048 1HB SER 9 1HB SER 9 7.251 -2.663 -2.332 1049 2HB SER 9 2HB SER 9 7.028 -3.181 -4.000 1050 HG SER 9 HG SER 9 6.235 -4.716 -2.489 1051 H SER 10 H SER 10 9.474 -5.860 -2.913 1052 HA SER 10 HA SER 10 10.176 -5.802 -0.108 1053 1HB SER 10 1HB SER 10 9.401 -7.854 -1.098 1054 2HB SER 10 2HB SER 10 10.638 -7.792 -2.351 1055 HG SER 10 HG SER 10 11.138 -9.240 -0.612 1056 H ILE 11 H ILE 11 12.240 -5.938 -3.073 1057 HA ILE 11 HA ILE 11 14.738 -6.025 -1.633 1058 HB ILE 11 HB ILE 11 14.472 -6.582 -4.040 1059 1HG1 ILE 11 1HG1 ILE 11 16.369 -4.245 -3.742 1060 2HG1 ILE 11 2HG1 ILE 11 16.675 -5.815 -2.998 1061 1HG2 ILE 11 1HG2 ILE 11 12.936 -4.936 -4.830 1062 2HG2 ILE 11 2HG2 ILE 11 14.461 -4.591 -5.640 1063 3HG2 ILE 11 3HG2 ILE 11 13.952 -3.611 -4.267 1064 1HD1 ILE 11 1HD1 ILE 11 16.512 -6.891 -5.225 1065 2HD1 ILE 11 2HD1 ILE 11 17.792 -5.677 -5.184 1066 3HD1 ILE 11 3HD1 ILE 11 16.251 -5.308 -5.959 1067 H LEU 12 H LEU 12 12.651 -3.269 -2.550 1068 HA LEU 12 HA LEU 12 14.655 -1.238 -1.909 1069 1HB LEU 12 1HB LEU 12 12.369 -1.165 -3.282 1070 2HB LEU 12 2HB LEU 12 11.700 -0.732 -1.707 1071 HG LEU 12 HG LEU 12 14.179 0.685 -2.554 1072 1HD1 LEU 12 1HD1 LEU 12 12.757 2.340 -3.820 1073 2HD1 LEU 12 2HD1 LEU 12 11.444 1.165 -3.768 1074 3HD1 LEU 12 3HD1 LEU 12 12.936 0.781 -4.626 1075 1HD2 LEU 12 1HD2 LEU 12 13.296 1.311 -0.441 1076 2HD2 LEU 12 2HD2 LEU 12 11.637 1.307 -1.042 1077 3HD2 LEU 12 3HD2 LEU 12 12.750 2.584 -1.535 1078 H GLU 13 H GLU 13 11.937 -2.751 -0.101 1079 HA GLU 13 HA GLU 13 12.194 -1.155 2.282 1080 1HB GLU 13 1HB GLU 13 11.017 -3.794 1.533 1081 2HB GLU 13 2HB GLU 13 11.304 -3.523 3.251 1082 1HG GLU 13 1HG GLU 13 10.064 -1.247 1.821 1083 2HG GLU 13 2HG GLU 13 9.059 -2.689 1.942 1084 H GLU 14 H GLU 14 13.926 -4.117 1.223 1085 HA GLU 14 HA GLU 14 15.265 -4.714 3.681 1086 1HB GLU 14 1HB GLU 14 15.194 -5.884 1.293 1087 2HB GLU 14 2HB GLU 14 16.688 -4.977 1.049 1088 1HG GLU 14 1HG GLU 14 17.762 -6.044 2.882 1089 2HG GLU 14 2HG GLU 14 16.237 -6.675 3.507 1090 H ARG 15 H ARG 15 16.072 -2.310 1.138 1091 HA ARG 15 HA ARG 15 18.692 -1.623 2.132 1092 1HB ARG 15 1HB ARG 15 17.463 -0.986 -0.081 1093 2HB ARG 15 2HB ARG 15 16.791 0.350 0.853 1094 1HG ARG 15 1HG ARG 15 19.381 0.603 1.552 1095 2HG ARG 15 2HG ARG 15 19.589 -0.112 -0.048 1096 1HD ARG 15 1HD ARG 15 17.670 1.756 -0.589 1097 2HD ARG 15 2HD ARG 15 18.593 2.577 0.685 1098 HE ARG 15 HE ARG 15 20.656 2.074 -0.682 1099 1HH1 ARG 15 1HH1 ARG 15 18.864 0.288 -2.534 1100 2HH1 ARG 15 2HH1 ARG 15 18.843 1.277 -3.955 1101 1HH2 ARG 15 1HH2 ARG 15 20.059 4.092 -2.335 1102 2HH2 ARG 15 2HH2 ARG 15 19.519 3.431 -3.842 1103 H ILE 16 H ILE 16 15.485 -0.084 2.774 1104 HA ILE 16 HA ILE 16 16.531 1.825 4.679 1105 HB ILE 16 HB ILE 16 14.348 2.058 3.532 1106 1HG1 ILE 16 1HG1 ILE 16 14.003 1.849 6.538 1107 2HG1 ILE 16 2HG1 ILE 16 14.801 3.195 5.725 1108 1HG2 ILE 16 1HG2 ILE 16 13.435 -0.110 3.429 1109 2HG2 ILE 16 2HG2 ILE 16 12.425 0.702 4.621 1110 3HG2 ILE 16 3HG2 ILE 16 13.691 -0.402 5.148 1111 1HD1 ILE 16 1HD1 ILE 16 11.908 2.466 5.792 1112 2HD1 ILE 16 2HD1 ILE 16 12.531 3.169 4.300 1113 3HD1 ILE 16 3HD1 ILE 16 12.666 4.059 5.818 1114 H LEU 17 H LEU 17 15.510 -1.576 5.067 1115 HA LEU 17 HA LEU 17 16.365 -1.380 7.930 1116 1HB LEU 17 1HB LEU 17 13.781 -2.094 6.724 1117 2HB LEU 17 2HB LEU 17 14.377 -3.323 7.838 1118 HG LEU 17 HG LEU 17 14.906 -1.104 9.292 1119 1HD1 LEU 17 1HD1 LEU 17 12.517 0.105 8.944 1120 2HD1 LEU 17 2HD1 LEU 17 12.836 -0.387 7.281 1121 3HD1 LEU 17 3HD1 LEU 17 13.985 0.646 8.132 1122 1HD2 LEU 17 1HD2 LEU 17 12.577 -2.957 9.092 1123 2HD2 LEU 17 2HD2 LEU 17 12.388 -1.545 10.130 1124 3HD2 LEU 17 3HD2 LEU 17 13.690 -2.695 10.434 1125 H GLY 18 H GLY 18 18.099 -2.790 8.198 1126 1HA GLY 18 1HA GLY 18 17.997 -5.388 6.725 1127 2HA GLY 18 2HA GLY 18 19.479 -4.431 6.738 1128 H ALA 19 H ALA 19 17.242 -6.280 8.824 1129 HA ALA 19 HA ALA 19 19.529 -6.769 10.677 1130 1HB ALA 19 1HB ALA 19 18.577 -5.133 11.969 1131 2HB ALA 19 2HB ALA 19 17.455 -6.417 12.414 1132 3HB ALA 19 3HB ALA 19 17.019 -5.264 11.154 1133 H ASP 20 H ASP 20 18.741 -8.738 8.925 1134 HA ASP 20 HA ASP 20 17.211 -10.615 10.685 1135 1HB ASP 20 1HB ASP 20 15.905 -9.463 8.764 1136 2HB ASP 20 2HB ASP 20 16.870 -10.472 7.687 1137 H THR 21 H THR 21 18.528 -12.411 11.033 1138 HA THR 21 HA THR 21 20.176 -13.413 8.753 1139 HB THR 21 HB THR 21 21.993 -13.698 10.619 1140 HG1 THR 21 HG1 THR 21 20.906 -13.090 12.400 1141 1HG2 THR 21 1HG2 THR 21 22.709 -11.281 10.237 1142 2HG2 THR 21 2HG2 THR 21 21.197 -11.070 9.353 1143 3HG2 THR 21 3HG2 THR 21 22.399 -12.227 8.781 1144 H SER 22 H SER 22 17.699 -14.511 9.868 1145 HA SER 22 HA SER 22 18.765 -17.122 10.845 1146 1HB SER 22 1HB SER 22 18.165 -16.259 12.906 1147 2HB SER 22 2HB SER 22 16.965 -15.172 12.216 1148 HG SER 22 HG SER 22 15.517 -16.770 12.188 1149 H VAL 23 H VAL 23 16.879 -18.819 10.789 1150 HA VAL 23 HA VAL 23 14.934 -18.149 8.604 1151 HB VAL 23 HB VAL 23 16.611 -20.658 8.971 1152 1HG1 VAL 23 1HG1 VAL 23 14.501 -21.265 7.986 1153 2HG1 VAL 23 2HG1 VAL 23 15.675 -21.188 6.673 1154 3HG1 VAL 23 3HG1 VAL 23 14.534 -19.866 6.913 1155 1HG2 VAL 23 1HG2 VAL 23 18.087 -19.053 8.096 1156 2HG2 VAL 23 2HG2 VAL 23 16.815 -18.244 7.180 1157 3HG2 VAL 23 3HG2 VAL 23 17.437 -19.803 6.639 1158 H ASP 24 H ASP 24 13.117 -18.020 10.074 1159 HA ASP 24 HA ASP 24 11.415 -18.849 11.482 1160 1HB ASP 24 1HB ASP 24 12.417 -21.183 9.871 1161 2HB ASP 24 2HB ASP 24 11.157 -21.438 11.080 1162 H LEU 25 H LEU 25 14.027 -18.532 12.778 1163 HA LEU 25 HA LEU 25 13.726 -20.613 14.903 1164 1HB LEU 25 1HB LEU 25 15.556 -21.027 13.098 1165 2HB LEU 25 2HB LEU 25 16.416 -19.702 13.884 1166 HG LEU 25 HG LEU 25 16.166 -20.928 16.067 1167 1HD1 LEU 25 1HD1 LEU 25 14.909 -22.911 14.190 1168 2HD1 LEU 25 2HD1 LEU 25 14.373 -22.404 15.792 1169 3HD1 LEU 25 3HD1 LEU 25 15.758 -23.484 15.626 1170 1HD2 LEU 25 1HD2 LEU 25 17.541 -22.714 14.068 1171 2HD2 LEU 25 2HD2 LEU 25 18.066 -22.261 15.689 1172 3HD2 LEU 25 3HD2 LEU 25 18.153 -21.089 14.375 Start of MODEL 23 1 1H PHE 1 1H PHE 1 -9.217 -43.050 13.833 2 2H PHE 1 2H PHE 1 -9.272 -42.474 15.430 3 3H PHE 1 3H PHE 1 -7.803 -42.484 14.577 4 HA PHE 1 HA PHE 1 -10.162 -40.744 14.093 5 1HB PHE 1 1HB PHE 1 -8.145 -40.509 15.849 6 2HB PHE 1 2HB PHE 1 -7.324 -39.871 14.424 7 HD1 PHE 1 HD1 PHE 1 -7.688 -37.652 13.740 8 HD2 PHE 1 HD2 PHE 1 -10.485 -39.537 16.400 9 HE1 PHE 1 HE1 PHE 1 -8.877 -35.494 14.018 10 HE2 PHE 1 HE2 PHE 1 -11.674 -37.379 16.678 11 HZ PHE 1 HZ PHE 1 -10.870 -35.357 15.487 12 H ALA 2 H ALA 2 -9.521 -39.042 12.313 13 HA ALA 2 HA ALA 2 -8.098 -40.467 10.083 14 1HB ALA 2 1HB ALA 2 -10.309 -38.401 9.900 15 2HB ALA 2 2HB ALA 2 -10.622 -40.134 9.982 16 3HB ALA 2 3HB ALA 2 -9.727 -39.464 8.619 17 H LYS 3 H LYS 3 -7.620 -38.513 8.293 18 HA LYS 3 HA LYS 3 -6.160 -36.384 9.830 19 1HB LYS 3 1HB LYS 3 -5.502 -37.824 7.239 20 2HB LYS 3 2HB LYS 3 -4.530 -36.530 7.941 21 1HG LYS 3 1HG LYS 3 -4.445 -37.978 10.066 22 2HG LYS 3 2HG LYS 3 -5.040 -39.292 9.050 23 1HD LYS 3 1HD LYS 3 -3.123 -38.950 7.513 24 2HD LYS 3 2HD LYS 3 -2.516 -37.679 8.575 25 1HE LYS 3 1HE LYS 3 -1.307 -39.576 9.298 26 2HE LYS 3 2HE LYS 3 -2.669 -39.537 10.437 27 1HZ LYS 3 1HZ LYS 3 -2.621 -41.045 7.875 28 2HZ LYS 3 2HZ LYS 3 -3.897 -41.019 8.996 29 3HZ LYS 3 3HZ LYS 3 -2.412 -41.734 9.410 30 H LEU 4 H LEU 4 -5.533 -34.580 7.914 31 HA LEU 4 HA LEU 4 -8.127 -33.933 6.543 32 1HB LEU 4 1HB LEU 4 -6.249 -32.364 8.283 33 2HB LEU 4 2HB LEU 4 -7.166 -31.512 7.040 34 HG LEU 4 HG LEU 4 -9.155 -32.991 8.092 35 1HD1 LEU 4 1HD1 LEU 4 -7.190 -32.504 10.352 36 2HD1 LEU 4 2HD1 LEU 4 -7.751 -34.071 9.771 37 3HD1 LEU 4 3HD1 LEU 4 -8.875 -32.977 10.575 38 1HD2 LEU 4 1HD2 LEU 4 -9.902 -30.997 9.106 39 2HD2 LEU 4 2HD2 LEU 4 -8.792 -30.424 7.861 40 3HD2 LEU 4 3HD2 LEU 4 -8.267 -30.500 9.543 41 H VAL 5 H VAL 5 -7.725 -32.287 4.672 42 HA VAL 5 HA VAL 5 -5.003 -32.552 3.476 43 HB VAL 5 HB VAL 5 -7.638 -33.285 2.151 44 1HG1 VAL 5 1HG1 VAL 5 -5.822 -32.216 0.701 45 2HG1 VAL 5 2HG1 VAL 5 -6.367 -33.815 0.197 46 3HG1 VAL 5 3HG1 VAL 5 -4.838 -33.636 1.058 47 1HG2 VAL 5 1HG2 VAL 5 -7.000 -35.046 3.656 48 2HG2 VAL 5 2HG2 VAL 5 -5.307 -34.930 3.173 49 3HG2 VAL 5 3HG2 VAL 5 -6.506 -35.565 2.045 50 H ARG 6 H ARG 6 -4.862 -30.190 3.936 51 HA ARG 6 HA ARG 6 -6.441 -28.577 1.970 52 1HB ARG 6 1HB ARG 6 -7.295 -28.533 4.372 53 2HB ARG 6 2HB ARG 6 -5.776 -27.751 4.809 54 1HG ARG 6 1HG ARG 6 -6.275 -25.809 3.617 55 2HG ARG 6 2HG ARG 6 -7.408 -26.636 2.549 56 1HD ARG 6 1HD ARG 6 -8.185 -26.723 5.398 57 2HD ARG 6 2HD ARG 6 -8.177 -25.096 4.688 58 HE ARG 6 HE ARG 6 -9.667 -25.961 2.900 59 1HH1 ARG 6 1HH2 ARG 6 -9.072 -28.891 3.328 60 2HH1 ARG 6 2HH2 ARG 6 -10.511 -29.427 4.129 61 1HH2 ARG 6 1HH1 ARG 6 -11.563 -26.227 4.952 62 2HH2 ARG 6 2HH1 ARG 6 -11.921 -27.919 5.047 63 HA PRO 7 HA PRO 7 -2.278 -27.197 1.122 64 1HB PRO 7 1HB PRO 7 -2.866 -25.137 -0.578 65 2HB PRO 7 2HB PRO 7 -2.943 -26.841 -1.066 66 1HG PRO 7 1HG PRO 7 -5.141 -24.986 -0.318 67 2HG PRO 7 2HG PRO 7 -5.101 -26.253 -1.555 68 1HD PRO 7 1HD PRO 7 -6.310 -26.534 0.885 69 2HD PRO 7 2HD PRO 7 -5.684 -27.891 -0.077 70 HA PRO 8 HA PRO 8 -1.901 -23.830 3.986 71 1HB PRO 8 1HB PRO 8 0.650 -23.012 3.430 72 2HB PRO 8 2HB PRO 8 0.289 -24.499 4.329 73 1HG PRO 8 1HG PRO 8 1.062 -24.151 1.480 74 2HG PRO 8 2HG PRO 8 1.514 -25.420 2.628 75 1HD PRO 8 1HD PRO 8 -0.390 -25.725 0.686 76 2HD PRO 8 2HD PRO 8 -0.361 -26.650 2.202 77 H VAL 9 H VAL 9 -0.828 -21.365 3.784 78 HA VAL 9 HA VAL 9 -1.106 -19.237 2.827 79 HB VAL 9 HB VAL 9 -0.932 -20.864 0.264 80 1HG1 VAL 9 1HG1 VAL 9 -0.659 -17.940 0.921 81 2HG1 VAL 9 2HG1 VAL 9 -1.572 -18.699 -0.382 82 3HG1 VAL 9 3HG1 VAL 9 0.188 -18.631 -0.463 83 1HG2 VAL 9 1HG2 VAL 9 1.161 -19.742 2.139 84 2HG2 VAL 9 2HG2 VAL 9 1.523 -20.128 0.456 85 3HG2 VAL 9 3HG2 VAL 9 1.000 -21.400 1.559 86 H GLN 10 H GLN 10 -2.728 -17.869 1.621 87 HA GLN 10 HA GLN 10 -5.225 -19.277 0.815 88 1HB GLN 10 1HB GLN 10 -4.713 -17.748 3.293 89 2HB GLN 10 2HB GLN 10 -6.186 -17.284 2.443 90 1HG GLN 10 1HG GLN 10 -7.127 -19.424 2.635 91 2HG GLN 10 2HG GLN 10 -5.562 -20.191 2.908 92 1HE2 GLN 10 1HE2 GLN 10 -5.637 -21.004 5.051 93 2HE2 GLN 10 2HE2 GLN 10 -6.147 -20.094 6.391 94 H ILE 11 H ILE 11 -4.010 -15.931 1.523 95 HA ILE 11 HA ILE 11 -4.789 -15.173 -1.254 96 HB ILE 11 HB ILE 11 -6.613 -14.648 0.352 97 1HG1 ILE 11 1HG1 ILE 11 -5.286 -12.058 -0.442 98 2HG1 ILE 11 2HG1 ILE 11 -5.947 -13.159 -1.651 99 1HG2 ILE 11 1HG2 ILE 11 -4.613 -12.780 1.663 100 2HG2 ILE 11 2HG2 ILE 11 -5.123 -14.318 2.355 101 3HG2 ILE 11 3HG2 ILE 11 -6.293 -13.023 2.126 102 1HD1 ILE 11 1HD1 ILE 11 -8.145 -13.058 -0.578 103 2HD1 ILE 11 2HD1 ILE 11 -7.593 -11.428 -0.966 104 3HD1 ILE 11 3HD1 ILE 11 -7.495 -12.020 0.692 105 H TYR 12 H TYR 12 -2.116 -15.689 -0.529 106 HA TYR 12 HA TYR 12 -0.978 -12.917 -0.354 107 1HB TYR 12 1HB TYR 12 0.364 -15.386 0.778 108 2HB TYR 12 2HB TYR 12 0.678 -13.698 1.173 109 HD1 TYR 12 HD1 TYR 12 -0.452 -16.462 2.699 110 HD2 TYR 12 HD2 TYR 12 -1.922 -12.563 1.677 111 HE1 TYR 12 HE1 TYR 12 -2.132 -16.614 4.517 112 HE2 TYR 12 HE2 TYR 12 -3.606 -12.715 3.468 113 HH TYR 12 HH TYR 12 -4.651 -15.273 4.800 114 H GLY 13 H GLY 13 -1.010 -13.173 -2.819 115 1HA GLY 13 1HA GLY 13 0.993 -15.083 -3.861 116 2HA GLY 13 2HA GLY 13 -0.115 -14.097 -4.819 117 H ILE 14 H ILE 14 0.834 -12.443 -5.878 118 HA ILE 14 HA ILE 14 3.487 -11.477 -4.938 119 HB ILE 14 HB ILE 14 2.823 -12.120 -7.366 120 1HG1 ILE 14 1HG1 ILE 14 4.928 -10.989 -6.794 121 2HG1 ILE 14 2HG1 ILE 14 4.288 -10.385 -8.319 122 1HG2 ILE 14 1HG2 ILE 14 0.724 -10.898 -7.532 123 2HG2 ILE 14 2HG2 ILE 14 1.870 -10.253 -8.707 124 3HG2 ILE 14 3HG2 ILE 14 1.552 -9.374 -7.212 125 1HD1 ILE 14 1HD1 ILE 14 4.723 -8.360 -7.328 126 2HD1 ILE 14 2HD1 ILE 14 4.558 -9.005 -5.695 127 3HD1 ILE 14 3HD1 ILE 14 3.120 -8.624 -6.642 128 H GLU 15 H GLU 15 0.143 -10.282 -5.463 129 HA GLU 15 HA GLU 15 0.743 -7.563 -4.589 130 1HB GLU 15 1HB GLU 15 -1.342 -8.772 -5.882 131 2HB GLU 15 2HB GLU 15 -2.008 -8.639 -4.254 132 1HG GLU 15 1HG GLU 15 -2.590 -6.546 -4.977 133 2HG GLU 15 2HG GLU 15 -0.934 -6.169 -4.503 134 H GLY 16 H GLY 16 -0.204 -10.610 -2.929 135 1HA GLY 16 1HA GLY 16 -0.912 -9.330 -0.432 136 2HA GLY 16 2HA GLY 16 -0.459 -11.027 -0.625 137 H ARG 17 H ARG 17 2.177 -10.595 -1.759 138 HA ARG 17 HA ARG 17 3.735 -10.264 0.644 139 1HB ARG 17 1HB ARG 17 4.274 -10.390 -2.307 140 2HB ARG 17 2HB ARG 17 5.583 -9.863 -1.247 141 1HG ARG 17 1HG ARG 17 5.648 -11.905 -0.096 142 2HG ARG 17 2HG ARG 17 4.008 -12.340 -0.582 143 1HD ARG 17 1HD ARG 17 4.707 -12.803 -2.840 144 2HD ARG 17 2HD ARG 17 6.312 -12.104 -2.545 145 HE ARG 17 HE ARG 17 6.914 -14.083 -1.388 146 1HH1 ARG 17 1HH2 ARG 17 5.071 -15.593 -3.163 147 2HH1 ARG 17 2HH2 ARG 17 4.055 -16.425 -2.033 148 1HH2 ARG 17 1HH1 ARG 17 4.932 -14.405 0.646 149 2HH2 ARG 17 2HH1 ARG 17 3.977 -15.752 0.123 150 H TYR 18 H TYR 18 2.478 -7.814 -1.601 151 HA TYR 18 HA TYR 18 4.388 -5.742 -1.079 152 1HB TYR 18 1HB TYR 18 1.518 -5.892 -1.931 153 2HB TYR 18 2HB TYR 18 2.120 -4.324 -1.407 154 HD1 TYR 18 HD1 TYR 18 2.466 -3.029 -3.312 155 HD2 TYR 18 HD2 TYR 18 3.802 -7.112 -3.286 156 HE1 TYR 18 HE1 TYR 18 3.530 -2.695 -5.524 157 HE2 TYR 18 HE2 TYR 18 4.871 -6.775 -5.498 158 HH TYR 18 HH TYR 18 5.686 -4.049 -6.750 159 H ALA 19 H ALA 19 1.464 -6.750 0.764 160 HA ALA 19 HA ALA 19 1.812 -4.597 2.740 161 1HB ALA 19 1HB ALA 19 0.058 -7.002 2.389 162 2HB ALA 19 2HB ALA 19 -0.391 -5.327 2.714 163 3HB ALA 19 3HB ALA 19 0.224 -6.342 4.020 164 H THR 20 H THR 20 2.640 -8.094 2.587 165 HA THR 20 HA THR 20 3.746 -8.087 5.282 166 HB THR 20 HB THR 20 4.845 -10.272 3.980 167 HG1 THR 20 HG1 THR 20 3.230 -10.979 2.587 168 1HG2 THR 20 1HG2 THR 20 2.587 -11.348 4.817 169 2HG2 THR 20 2HG2 THR 20 2.307 -9.744 5.495 170 3HG2 THR 20 3HG2 THR 20 3.724 -10.675 5.985 171 H ALA 21 H ALA 21 5.122 -7.477 2.051 172 HA ALA 21 HA ALA 21 7.880 -7.531 3.103 173 1HB ALA 21 1HB ALA 21 7.084 -6.204 0.524 174 2HB ALA 21 2HB ALA 21 6.921 -7.955 0.661 175 3HB ALA 21 3HB ALA 21 8.499 -7.197 0.869 176 H LEU 22 H LEU 22 5.275 -5.190 3.003 177 HA LEU 22 HA LEU 22 7.202 -2.925 3.348 178 1HB LEU 22 1HB LEU 22 5.263 -2.661 1.813 179 2HB LEU 22 2HB LEU 22 4.167 -3.023 3.147 180 HG LEU 22 HG LEU 22 5.748 -1.000 4.198 181 1HD1 LEU 22 1HD1 LEU 22 5.484 0.778 2.344 182 2HD1 LEU 22 2HD1 LEU 22 5.349 -0.587 1.235 183 3HD1 LEU 22 3HD1 LEU 22 6.817 -0.366 2.188 184 1HD2 LEU 22 1HD2 LEU 22 3.634 0.418 3.375 185 2HD2 LEU 22 2HD2 LEU 22 3.492 -0.795 4.646 186 3HD2 LEU 22 3HD2 LEU 22 3.019 -1.191 2.994 187 H TYR 23 H TYR 23 4.550 -4.652 5.059 188 HA TYR 23 HA TYR 23 5.002 -3.065 7.467 189 1HB TYR 23 1HB TYR 23 2.953 -3.855 7.976 190 2HB TYR 23 2HB TYR 23 2.940 -4.641 6.411 191 HD1 TYR 23 HD1 TYR 23 4.203 -5.200 9.887 192 HD2 TYR 23 HD2 TYR 23 2.561 -6.915 6.317 193 HE1 TYR 23 HE1 TYR 23 4.102 -7.389 10.999 194 HE2 TYR 23 HE2 TYR 23 2.490 -9.112 7.397 195 HH TYR 23 HH TYR 23 4.093 -10.075 9.768 196 H SER 24 H SER 24 6.579 -5.875 6.058 197 HA SER 24 HA SER 24 7.414 -7.311 8.372 198 1HB SER 24 1HB SER 24 8.201 -8.275 6.409 199 2HB SER 24 2HB SER 24 8.549 -6.717 5.666 200 HG SER 24 HG SER 24 10.036 -8.137 7.613 201 H ALA 25 H ALA 25 8.658 -4.235 7.010 202 HA ALA 25 HA ALA 25 10.702 -3.916 9.105 203 1HB ALA 25 1HB ALA 25 10.978 -1.694 8.092 204 2HB ALA 25 2HB ALA 25 9.454 -1.872 7.224 205 3HB ALA 25 3HB ALA 25 10.831 -2.891 6.804 206 H ALA 26 H ALA 26 7.348 -2.781 8.473 207 HA ALA 26 HA ALA 26 7.109 -0.984 10.702 208 1HB ALA 26 1HB ALA 26 4.995 -2.800 9.473 209 2HB ALA 26 2HB ALA 26 5.484 -1.246 8.802 210 3HB ALA 26 3HB ALA 26 4.691 -1.317 10.375 211 H SER 27 H SER 27 6.615 -4.544 10.468 212 HA SER 27 HA SER 27 5.545 -4.987 13.082 213 1HB SER 27 1HB SER 27 6.101 -7.261 12.691 214 2HB SER 27 2HB SER 27 5.933 -6.600 11.068 215 HG SER 27 HG SER 27 7.861 -7.775 11.260 216 H LYS 28 H LYS 28 8.963 -4.711 12.003 217 HA LYS 28 HA LYS 28 10.226 -5.380 14.483 218 1HB LYS 28 1HB LYS 28 11.002 -3.455 12.266 219 2HB LYS 28 2HB LYS 28 12.093 -3.921 13.571 220 1HG LYS 28 1HG LYS 28 11.487 -6.364 12.869 221 2HG LYS 28 2HG LYS 28 10.968 -5.617 11.356 222 1HD LYS 28 1HD LYS 28 13.135 -4.794 10.883 223 2HD LYS 28 2HD LYS 28 13.679 -5.032 12.545 224 1HE LYS 28 1HE LYS 28 14.639 -6.893 11.502 225 2HE LYS 28 2HE LYS 28 13.082 -7.579 12.007 226 1HZ LYS 28 1HZ LYS 28 13.754 -6.408 9.362 227 2HZ LYS 28 2HZ LYS 28 12.171 -6.789 9.846 228 3HZ LYS 28 3HZ LYS 28 13.333 -8.018 9.692 229 H GLN 29 H GLN 29 8.792 -2.276 13.379 230 HA GLN 29 HA GLN 29 9.537 -1.057 16.007 231 1HB GLN 29 1HB GLN 29 8.612 0.043 13.345 232 2HB GLN 29 2HB GLN 29 8.792 1.049 14.782 233 1HG GLN 29 1HG GLN 29 11.174 0.150 14.951 234 2HG GLN 29 2HG GLN 29 10.941 -0.508 13.331 235 1HE2 GLN 29 1HE2 GLN 29 10.114 1.238 11.646 236 2HE2 GLN 29 2HE2 GLN 29 10.791 2.787 11.798 237 H ASN 30 H ASN 30 6.980 -2.916 15.115 238 HA ASN 30 HA ASN 30 4.785 -3.093 15.917 239 1HB ASN 30 1HB ASN 30 6.227 -1.978 17.926 240 2HB ASN 30 2HB ASN 30 5.081 -0.671 17.626 241 1HD2 ASN 30 1HD2 ASN 30 2.658 -1.412 17.567 242 2HD2 ASN 30 2HD2 ASN 30 2.220 -2.658 18.633 243 H LYS 31 H LYS 31 5.224 -1.671 13.500 244 HA LYS 31 HA LYS 31 3.446 0.716 13.716 245 1HB LYS 31 1HB LYS 31 5.634 -0.211 11.952 246 2HB LYS 31 2HB LYS 31 4.321 0.629 11.130 247 1HG LYS 31 1HG LYS 31 5.977 2.270 11.817 248 2HG LYS 31 2HG LYS 31 4.531 2.482 12.807 249 1HD LYS 31 1HD LYS 31 5.527 1.521 14.698 250 2HD LYS 31 2HD LYS 31 6.754 0.685 13.746 251 1HE LYS 31 1HE LYS 31 8.116 2.539 13.630 252 2HE LYS 31 2HE LYS 31 6.746 3.667 13.589 253 1HZ LYS 31 1HZ LYS 31 7.988 3.631 15.744 254 2HZ LYS 31 2HZ LYS 31 7.452 2.034 15.965 255 3HZ LYS 31 3HZ LYS 31 6.329 3.307 15.884 256 H LEU 32 H LEU 32 3.064 -2.629 13.019 257 HA LEU 32 HA LEU 32 1.482 -2.846 10.726 258 1HB LEU 32 1HB LEU 32 1.458 -4.115 13.436 259 2HB LEU 32 2HB LEU 32 0.125 -4.480 12.338 260 HG LEU 32 HG LEU 32 2.722 -4.543 10.991 261 1HD1 LEU 32 1HD1 LEU 32 3.937 -5.885 12.298 262 2HD1 LEU 32 2HD1 LEU 32 2.577 -6.982 12.548 263 3HD1 LEU 32 3HD1 LEU 32 2.780 -5.576 13.593 264 1HD2 LEU 32 1HD2 LEU 32 1.471 -7.064 10.901 265 2HD2 LEU 32 2HD2 LEU 32 1.365 -5.786 9.692 266 3HD2 LEU 32 3HD2 LEU 32 0.148 -5.900 10.967 267 H GLU 33 H GLU 33 0.524 -1.405 13.865 268 HA GLU 33 HA GLU 33 -2.292 -1.079 13.130 269 1HB GLU 33 1HB GLU 33 -0.439 0.136 15.199 270 2HB GLU 33 2HB GLU 33 -2.096 0.713 15.021 271 1HG GLU 33 1HG GLU 33 -1.524 -2.231 15.308 272 2HG GLU 33 2HG GLU 33 -1.635 -1.195 16.731 273 H GLN 34 H GLN 34 0.625 1.016 12.984 274 HA GLN 34 HA GLN 34 -0.724 3.295 11.783 275 1HB GLN 34 1HB GLN 34 2.109 2.361 12.125 276 2HB GLN 34 2HB GLN 34 1.778 3.723 11.054 277 1HG GLN 34 1HG GLN 34 0.286 4.444 13.203 278 2HG GLN 34 2HG GLN 34 1.577 3.549 14.009 279 1HE2 GLN 34 1HE2 GLN 34 0.808 6.559 12.399 280 2HE2 GLN 34 2HE2 GLN 34 2.375 7.210 12.451 281 H VAL 35 H VAL 35 0.428 0.238 10.440 282 HA VAL 35 HA VAL 35 0.272 1.379 7.689 283 HB VAL 35 HB VAL 35 1.006 -1.480 8.200 284 1HG1 VAL 35 1HG1 VAL 35 1.242 -0.982 5.971 285 2HG1 VAL 35 2HG1 VAL 35 2.861 -0.560 6.528 286 3HG1 VAL 35 3HG1 VAL 35 1.657 0.704 6.281 287 1HG2 VAL 35 1HG2 VAL 35 2.556 -0.919 9.797 288 2HG2 VAL 35 2HG2 VAL 35 2.511 0.795 9.380 289 3HG2 VAL 35 3HG2 VAL 35 3.485 -0.321 8.426 290 H GLU 36 H GLU 36 -1.235 -1.162 9.737 291 HA GLU 36 HA GLU 36 -2.912 -2.220 7.611 292 1HB GLU 36 1HB GLU 36 -2.219 -3.171 9.975 293 2HB GLU 36 2HB GLU 36 -3.674 -2.336 10.517 294 1HG GLU 36 1HG GLU 36 -3.906 -4.007 8.060 295 2HG GLU 36 2HG GLU 36 -3.741 -4.857 9.597 296 H LYS 37 H LYS 37 -3.322 0.509 9.880 297 HA LYS 37 HA LYS 37 -6.202 0.720 9.216 298 1HB LYS 37 1HB LYS 37 -4.790 1.287 11.445 299 2HB LYS 37 2HB LYS 37 -4.755 2.878 10.683 300 1HG LYS 37 1HG LYS 37 -7.360 2.284 10.317 301 2HG LYS 37 2HG LYS 37 -7.061 1.358 11.788 302 1HD LYS 37 1HD LYS 37 -7.708 3.494 12.576 303 2HD LYS 37 2HD LYS 37 -5.947 3.507 12.690 304 1HE LYS 37 1HE LYS 37 -5.790 4.709 10.549 305 2HE LYS 37 2HE LYS 37 -7.556 4.658 10.379 306 1HZ LYS 37 1HZ LYS 37 -7.793 5.853 12.435 307 2HZ LYS 37 2HZ LYS 37 -6.766 6.738 11.411 308 3HZ LYS 37 3HZ LYS 37 -6.117 5.837 12.697 309 H GLU 38 H GLU 38 -3.159 2.452 8.374 310 HA GLU 38 HA GLU 38 -4.635 4.563 6.959 311 1HB GLU 38 1HB GLU 38 -1.780 3.720 7.301 312 2HB GLU 38 2HB GLU 38 -2.183 4.773 5.951 313 1HG GLU 38 1HG GLU 38 -1.674 6.258 7.735 314 2HG GLU 38 2HG GLU 38 -3.434 6.227 7.650 315 H LEU 39 H LEU 39 -3.047 1.479 6.033 316 HA LEU 39 HA LEU 39 -3.250 1.691 3.194 317 1HB LEU 39 1HB LEU 39 -3.093 -0.478 5.211 318 2HB LEU 39 2HB LEU 39 -3.851 -0.957 3.695 319 HG LEU 39 HG LEU 39 -1.868 0.134 2.516 320 1HD1 LEU 39 1HD1 LEU 39 -1.255 1.267 4.823 321 2HD1 LEU 39 2HD1 LEU 39 0.023 0.764 3.718 322 3HD1 LEU 39 3HD1 LEU 39 -0.395 -0.248 5.101 323 1HD2 LEU 39 1HD2 LEU 39 -1.856 -2.369 4.142 324 2HD2 LEU 39 2HD2 LEU 39 -0.325 -1.867 3.425 325 3HD2 LEU 39 3HD2 LEU 39 -1.725 -2.166 2.395 326 H LEU 40 H LEU 40 -5.768 0.849 5.617 327 HA LEU 40 HA LEU 40 -7.822 -0.020 3.831 328 1HB LEU 40 1HB LEU 40 -7.715 0.131 6.441 329 2HB LEU 40 2HB LEU 40 -8.376 1.751 6.214 330 HG LEU 40 HG LEU 40 -9.705 -0.459 4.725 331 1HD1 LEU 40 1HD1 LEU 40 -11.128 -0.671 6.959 332 2HD1 LEU 40 2HD1 LEU 40 -9.591 -0.238 7.709 333 3HD1 LEU 40 3HD1 LEU 40 -9.704 -1.678 6.697 334 1HD2 LEU 40 1HD2 LEU 40 -11.530 0.962 4.826 335 2HD2 LEU 40 2HD2 LEU 40 -10.233 2.147 4.967 336 3HD2 LEU 40 3HD2 LEU 40 -11.082 1.594 6.410 337 H ARG 41 H ARG 41 -6.752 3.307 4.635 338 HA ARG 41 HA ARG 41 -8.930 4.753 3.470 339 1HB ARG 41 1HB ARG 41 -5.972 5.324 3.796 340 2HB ARG 41 2HB ARG 41 -7.067 6.513 3.088 341 1HG ARG 41 1HG ARG 41 -7.898 5.241 5.657 342 2HG ARG 41 2HG ARG 41 -6.598 6.432 5.723 343 1HD ARG 41 1HD ARG 41 -8.015 8.100 4.623 344 2HD ARG 41 2HD ARG 41 -9.316 6.905 4.441 345 HE ARG 41 HE ARG 41 -9.310 6.749 6.973 346 1HH1 ARG 41 1HH1 ARG 41 -10.143 9.508 5.754 347 2HH1 ARG 41 2HH1 ARG 41 -9.394 10.571 6.898 348 1HH2 ARG 41 1HH2 ARG 41 -7.397 8.099 8.287 349 2HH2 ARG 41 2HH2 ARG 41 -7.840 9.773 8.332 350 H VAL 42 H VAL 42 -5.965 3.406 1.933 351 HA VAL 42 HA VAL 42 -6.373 4.515 -0.683 352 HB VAL 42 HB VAL 42 -5.128 1.884 0.213 353 1HG1 VAL 42 1HG1 VAL 42 -5.297 3.242 -2.455 354 2HG1 VAL 42 2HG1 VAL 42 -5.315 1.520 -2.075 355 3HG1 VAL 42 3HG1 VAL 42 -3.797 2.417 -2.030 356 1HG2 VAL 42 1HG2 VAL 42 -3.525 4.229 -0.678 357 2HG2 VAL 42 2HG2 VAL 42 -3.194 3.058 0.599 358 3HG2 VAL 42 3HG2 VAL 42 -4.332 4.374 0.883 359 H GLY 43 H GLY 43 -7.745 1.563 0.840 360 1HA GLY 43 1HA GLY 43 -8.996 0.542 -1.530 361 2HA GLY 43 2HA GLY 43 -9.477 0.158 0.125 362 H GLN 44 H GLN 44 -10.236 2.658 1.119 363 HA GLN 44 HA GLN 44 -12.894 2.993 0.102 364 1HB GLN 44 1HB GLN 44 -11.993 3.741 2.344 365 2HB GLN 44 2HB GLN 44 -11.193 5.078 1.516 366 1HG GLN 44 1HG GLN 44 -13.303 5.983 0.780 367 2HG GLN 44 2HG GLN 44 -14.172 4.558 1.348 368 1HE2 GLN 44 1HE2 GLN 44 -13.135 7.715 2.282 369 2HE2 GLN 44 2HE2 GLN 44 -13.444 7.560 3.943 370 H ILE 45 H ILE 45 -9.873 4.773 -0.676 371 HA ILE 45 HA ILE 45 -11.017 6.799 -2.356 372 HB ILE 45 HB ILE 45 -8.335 5.348 -2.438 373 1HG1 ILE 45 1HG1 ILE 45 -8.745 8.154 -1.477 374 2HG1 ILE 45 2HG1 ILE 45 -9.248 6.829 -0.428 375 1HG2 ILE 45 1HG2 ILE 45 -9.191 6.776 -4.552 376 2HG2 ILE 45 2HG2 ILE 45 -7.521 6.842 -4.001 377 3HG2 ILE 45 3HG2 ILE 45 -8.651 8.111 -3.536 378 1HD1 ILE 45 1HD1 ILE 45 -6.693 7.836 -0.554 379 2HD1 ILE 45 2HD1 ILE 45 -6.587 6.450 -1.639 380 3HD1 ILE 45 3HD1 ILE 45 -7.108 6.226 0.031 381 H LEU 46 H LEU 46 -10.018 3.430 -3.130 382 HA LEU 46 HA LEU 46 -10.768 3.755 -5.951 383 1HB LEU 46 1HB LEU 46 -9.018 2.150 -4.992 384 2HB LEU 46 2HB LEU 46 -10.369 1.160 -4.437 385 HG LEU 46 HG LEU 46 -11.215 1.025 -6.760 386 1HD1 LEU 46 1HD1 LEU 46 -8.776 2.730 -7.297 387 2HD1 LEU 46 2HD1 LEU 46 -10.447 3.039 -7.769 388 3HD1 LEU 46 3HD1 LEU 46 -9.527 1.759 -8.563 389 1HD2 LEU 46 1HD2 LEU 46 -9.575 -0.646 -5.822 390 2HD2 LEU 46 2HD2 LEU 46 -8.286 0.263 -6.610 391 3HD2 LEU 46 3HD2 LEU 46 -9.537 -0.512 -7.581 392 H LYS 47 H LYS 47 -12.440 2.748 -2.985 393 HA LYS 47 HA LYS 47 -14.668 1.448 -4.358 394 1HB LYS 47 1HB LYS 47 -14.070 2.461 -1.585 395 2HB LYS 47 2HB LYS 47 -15.738 2.076 -2.006 396 1HG LYS 47 1HG LYS 47 -15.123 -0.193 -2.608 397 2HG LYS 47 2HG LYS 47 -13.411 0.171 -2.382 398 1HD LYS 47 1HD LYS 47 -15.144 0.782 -0.059 399 2HD LYS 47 2HD LYS 47 -14.990 -0.930 -0.450 400 1HE LYS 47 1HE LYS 47 -12.508 -0.697 -0.421 401 2HE LYS 47 2HE LYS 47 -12.700 1.002 0.060 402 1HZ LYS 47 1HZ LYS 47 -14.010 0.283 1.959 403 2HZ LYS 47 2HZ LYS 47 -12.468 -0.430 2.003 404 3HZ LYS 47 3HZ LYS 47 -13.815 -1.341 1.511 405 H GLU 48 H GLU 48 -13.887 4.770 -3.250 406 HA GLU 48 HA GLU 48 -16.405 6.005 -3.524 407 1HB GLU 48 1HB GLU 48 -13.551 6.822 -3.877 408 2HB GLU 48 2HB GLU 48 -14.789 7.956 -4.422 409 1HG GLU 48 1HG GLU 48 -15.215 6.730 -1.748 410 2HG GLU 48 2HG GLU 48 -13.898 7.896 -1.875 411 HA PRO 49 HA PRO 49 -17.143 5.324 -7.884 412 1HB PRO 49 1HB PRO 49 -19.321 6.953 -8.192 413 2HB PRO 49 2HB PRO 49 -19.406 5.355 -7.425 414 1HG PRO 49 1HG PRO 49 -19.293 8.052 -6.172 415 2HG PRO 49 2HG PRO 49 -20.238 6.630 -5.705 416 1HD PRO 49 1HD PRO 49 -17.953 7.383 -4.438 417 2HD PRO 49 2HD PRO 49 -18.502 5.696 -4.539 418 H LYS 50 H LYS 50 -16.960 8.652 -6.546 419 HA LYS 50 HA LYS 50 -16.458 9.851 -9.196 420 1HB LYS 50 1HB LYS 50 -16.425 10.783 -6.323 421 2HB LYS 50 2HB LYS 50 -15.776 11.818 -7.595 422 1HG LYS 50 1HG LYS 50 -17.972 11.498 -8.828 423 2HG LYS 50 2HG LYS 50 -18.593 10.734 -7.364 424 1HD LYS 50 1HD LYS 50 -18.100 12.772 -6.075 425 2HD LYS 50 2HD LYS 50 -17.452 13.539 -7.525 426 1HE LYS 50 1HE LYS 50 -19.696 14.336 -7.389 427 2HE LYS 50 2HE LYS 50 -19.778 13.022 -8.580 428 1HZ LYS 50 1HZ LYS 50 -20.409 11.493 -6.858 429 2HZ LYS 50 2HZ LYS 50 -21.473 12.816 -6.813 430 3HZ LYS 50 3HZ LYS 50 -20.231 12.682 -5.663 431 H MET 51 H MET 51 -14.525 8.716 -6.418 432 HA MET 51 HA MET 51 -11.992 9.650 -7.610 433 1HB MET 51 1HB MET 51 -12.500 9.594 -5.149 434 2HB MET 51 2HB MET 51 -12.531 7.834 -5.242 435 1HG MET 51 1HG MET 51 -10.348 8.552 -4.482 436 2HG MET 51 2HG MET 51 -10.199 7.874 -6.101 437 1HE MET 51 1HE MET 51 -7.714 9.453 -6.763 438 2HE MET 51 2HE MET 51 -8.584 10.169 -8.118 439 3HE MET 51 3HE MET 51 -9.015 8.555 -7.558 440 H ALA 52 H ALA 52 -13.856 6.601 -7.438 441 HA ALA 52 HA ALA 52 -11.800 4.748 -8.144 442 1HB ALA 52 1HB ALA 52 -14.760 4.879 -8.817 443 2HB ALA 52 2HB ALA 52 -14.000 3.980 -7.504 444 3HB ALA 52 3HB ALA 52 -13.759 3.470 -9.175 445 H ALA 53 H ALA 53 -13.808 6.857 -10.245 446 HA ALA 53 HA ALA 53 -12.936 5.833 -12.772 447 1HB ALA 53 1HB ALA 53 -14.758 7.608 -12.088 448 2HB ALA 53 2HB ALA 53 -13.974 7.738 -13.662 449 3HB ALA 53 3HB ALA 53 -13.449 8.766 -12.329 450 H SER 54 H SER 54 -11.283 8.067 -10.523 451 HA SER 54 HA SER 54 -9.184 8.594 -12.586 452 1HB SER 54 1HB SER 54 -9.582 9.704 -9.788 453 2HB SER 54 2HB SER 54 -8.446 10.312 -10.989 454 HG SER 54 HG SER 54 -10.098 11.066 -12.184 455 H LEU 55 H LEU 55 -9.521 7.150 -9.306 456 HA LEU 55 HA LEU 55 -6.758 6.647 -8.811 457 1HB LEU 55 1HB LEU 55 -9.007 6.224 -7.424 458 2HB LEU 55 2HB LEU 55 -8.788 4.585 -8.039 459 HG LEU 55 HG LEU 55 -6.438 4.631 -7.169 460 1HD1 LEU 55 1HD1 LEU 55 -5.879 6.918 -7.046 461 2HD1 LEU 55 2HD1 LEU 55 -6.107 6.466 -5.357 462 3HD1 LEU 55 3HD1 LEU 55 -7.381 7.333 -6.217 463 1HD2 LEU 55 1HD2 LEU 55 -8.892 4.787 -5.498 464 2HD2 LEU 55 2HD2 LEU 55 -7.359 4.910 -4.634 465 3HD2 LEU 55 3HD2 LEU 55 -7.699 3.495 -5.629 466 H LEU 56 H LEU 56 -9.064 4.816 -10.853 467 HA LEU 56 HA LEU 56 -6.786 3.016 -11.621 468 1HB LEU 56 1HB LEU 56 -8.671 1.986 -10.350 469 2HB LEU 56 2HB LEU 56 -9.779 2.507 -11.619 470 HG LEU 56 HG LEU 56 -7.514 1.096 -12.777 471 1HD1 LEU 56 1HD1 LEU 56 -9.183 -0.494 -10.809 472 2HD1 LEU 56 2HD1 LEU 56 -7.513 -0.004 -10.522 473 3HD1 LEU 56 3HD1 LEU 56 -7.894 -1.109 -11.843 474 1HD2 LEU 56 1HD2 LEU 56 -9.164 0.208 -14.107 475 2HD2 LEU 56 2HD2 LEU 56 -10.099 1.543 -13.434 476 3HD2 LEU 56 3HD2 LEU 56 -10.252 -0.075 -12.749 477 H ASN 57 H ASN 57 -7.281 5.607 -12.951 478 HA ASN 57 HA ASN 57 -8.604 4.790 -15.491 479 1HB ASN 57 1HB ASN 57 -8.622 7.103 -13.938 480 2HB ASN 57 2HB ASN 57 -7.561 7.523 -15.281 481 1HD2 ASN 57 1HD2 ASN 57 -8.852 8.654 -16.797 482 2HD2 ASN 57 2HD2 ASN 57 -10.383 8.136 -17.314 483 HA PRO 58 HA PRO 58 -4.390 4.249 -17.012 484 1HB PRO 58 1HB PRO 58 -5.067 3.380 -19.514 485 2HB PRO 58 2HB PRO 58 -5.078 2.323 -18.089 486 1HG PRO 58 1HG PRO 58 -7.346 3.676 -19.458 487 2HG PRO 58 2HG PRO 58 -7.261 2.060 -18.743 488 1HD PRO 58 1HD PRO 58 -8.450 4.182 -17.518 489 2HD PRO 58 2HD PRO 58 -7.721 2.823 -16.637 490 H TYR 59 H TYR 59 -6.873 6.432 -18.057 491 HA TYR 59 HA TYR 59 -5.339 7.647 -20.250 492 1HB TYR 59 1HB TYR 59 -7.926 8.292 -18.803 493 2HB TYR 59 2HB TYR 59 -7.346 9.181 -20.221 494 HD1 TYR 59 HD1 TYR 59 -7.232 8.099 -22.428 495 HD2 TYR 59 HD2 TYR 59 -8.726 5.994 -18.990 496 HE1 TYR 59 HE1 TYR 59 -8.156 6.335 -23.905 497 HE2 TYR 59 HE2 TYR 59 -9.640 4.233 -20.465 498 HH TYR 59 HH TYR 59 -10.244 4.549 -23.549 499 H VAL 60 H VAL 60 -4.860 7.856 -16.920 500 HA VAL 60 HA VAL 60 -4.394 10.810 -16.981 501 HB VAL 60 HB VAL 60 -4.418 8.821 -14.680 502 1HG1 VAL 60 1HG1 VAL 60 -3.250 10.598 -13.786 503 2HG1 VAL 60 2HG1 VAL 60 -4.890 11.193 -13.531 504 3HG1 VAL 60 3HG1 VAL 60 -3.951 11.762 -14.911 505 1HG2 VAL 60 1HG2 VAL 60 -6.524 10.867 -15.438 506 2HG2 VAL 60 2HG2 VAL 60 -6.644 9.614 -14.203 507 3HG2 VAL 60 3HG2 VAL 60 -6.617 9.170 -15.910 508 H LYS 61 H LYS 61 -2.558 9.097 -18.455 509 HA LYS 61 HA LYS 61 -0.250 8.645 -18.649 510 1HB LYS 61 1HB LYS 61 -0.470 11.032 -16.811 511 2HB LYS 61 2HB LYS 61 1.101 10.419 -17.328 512 1HG LYS 61 1HG LYS 61 0.727 10.956 -19.567 513 2HG LYS 61 2HG LYS 61 -1.027 10.936 -19.382 514 1HD LYS 61 1HD LYS 61 -0.775 12.969 -17.875 515 2HD LYS 61 2HD LYS 61 0.905 13.049 -18.403 516 1HE LYS 61 1HE LYS 61 -0.234 12.884 -20.823 517 2HE LYS 61 2HE LYS 61 -1.587 13.626 -19.946 518 1HZ LYS 61 1HZ LYS 61 1.221 14.584 -19.800 519 2HZ LYS 61 2HZ LYS 61 -0.148 15.329 -19.122 520 3HZ LYS 61 3HZ LYS 61 0.040 15.267 -20.810 521 H ARG 62 H ARG 62 1.878 8.418 -17.035 522 HA ARG 62 HA ARG 62 0.958 6.585 -14.844 523 1HB ARG 62 1HB ARG 62 2.321 5.743 -16.821 524 2HB ARG 62 2HB ARG 62 3.654 6.732 -16.227 525 1HG ARG 62 1HG ARG 62 2.383 5.004 -14.187 526 2HG ARG 62 2HG ARG 62 3.225 4.140 -15.473 527 1HD ARG 62 1HD ARG 62 4.605 6.483 -14.199 528 2HD ARG 62 2HD ARG 62 4.566 4.936 -13.331 529 HE ARG 62 HE ARG 62 5.697 5.305 -16.074 530 1HH1 ARG 62 1HH1 ARG 62 4.529 2.625 -14.829 531 2HH1 ARG 62 2HH1 ARG 62 6.024 1.824 -14.474 532 1HH2 ARG 62 1HH2 ARG 62 7.957 4.670 -14.898 533 2HH2 ARG 62 2HH2 ARG 62 7.964 2.981 -14.514 534 H SER 63 H SER 63 3.653 8.890 -15.588 535 HA SER 63 HA SER 63 4.524 9.116 -12.836 536 1HB SER 63 1HB SER 63 4.921 10.644 -15.388 537 2HB SER 63 2HB SER 63 5.419 11.405 -13.879 538 HG SER 63 HG SER 63 6.858 9.809 -13.540 539 H VAL 64 H VAL 64 2.213 11.048 -14.798 540 HA VAL 64 HA VAL 64 1.747 13.102 -12.824 541 HB VAL 64 HB VAL 64 -0.123 11.952 -14.935 542 1HG1 VAL 64 1HG1 VAL 64 -1.344 14.017 -14.772 543 2HG1 VAL 64 2HG1 VAL 64 -0.132 14.719 -13.701 544 3HG1 VAL 64 3HG1 VAL 64 -1.162 13.408 -13.127 545 1HG2 VAL 64 1HG2 VAL 64 1.695 12.703 -16.177 546 2HG2 VAL 64 2HG2 VAL 64 2.132 13.930 -14.988 547 3HG2 VAL 64 3HG2 VAL 64 0.754 14.188 -16.058 548 H LYS 65 H LYS 65 0.170 9.911 -13.358 549 HA LYS 65 HA LYS 65 -1.901 10.182 -11.392 550 1HB LYS 65 1HB LYS 65 -1.705 8.351 -13.087 551 2HB LYS 65 2HB LYS 65 -0.347 7.688 -12.177 552 1HG LYS 65 1HG LYS 65 -2.193 6.443 -11.398 553 2HG LYS 65 2HG LYS 65 -1.972 7.678 -10.157 554 1HD LYS 65 1HD LYS 65 -3.733 8.427 -12.428 555 2HD LYS 65 2HD LYS 65 -4.359 7.184 -11.345 556 1HE LYS 65 1HE LYS 65 -4.655 8.665 -9.631 557 2HE LYS 65 2HE LYS 65 -3.121 9.494 -9.966 558 1HZ LYS 65 1HZ LYS 65 -5.167 10.813 -10.508 559 2HZ LYS 65 2HZ LYS 65 -5.494 9.687 -11.738 560 3HZ LYS 65 3HZ LYS 65 -4.077 10.625 -11.795 561 H VAL 66 H VAL 66 1.509 9.091 -11.046 562 HA VAL 66 HA VAL 66 1.304 8.355 -8.253 563 HB VAL 66 HB VAL 66 3.686 9.392 -9.844 564 1HG1 VAL 66 1HG1 VAL 66 3.456 7.881 -7.227 565 2HG1 VAL 66 2HG1 VAL 66 4.219 9.449 -7.499 566 3HG1 VAL 66 3HG1 VAL 66 4.955 7.984 -8.151 567 1HG2 VAL 66 1HG2 VAL 66 3.002 7.488 -11.016 568 2HG2 VAL 66 2HG2 VAL 66 2.365 6.705 -9.570 569 3HG2 VAL 66 3HG2 VAL 66 4.107 6.791 -9.832 570 H LYS 67 H LYS 67 2.150 11.452 -9.876 571 HA LYS 67 HA LYS 67 2.815 12.935 -7.507 572 1HB LYS 67 1HB LYS 67 1.717 13.657 -10.229 573 2HB LYS 67 2HB LYS 67 1.977 14.902 -9.006 574 1HG LYS 67 1HG LYS 67 4.298 14.561 -8.968 575 2HG LYS 67 2HG LYS 67 4.168 12.944 -9.658 576 1HD LYS 67 1HD LYS 67 3.382 13.963 -11.798 577 2HD LYS 67 2HD LYS 67 3.653 15.561 -11.101 578 1HE LYS 67 1HE LYS 67 5.894 13.550 -11.069 579 2HE LYS 67 2HE LYS 67 5.561 14.476 -12.547 580 1HZ LYS 67 1HZ LYS 67 5.987 15.608 -9.831 581 2HZ LYS 67 2HZ LYS 67 5.582 16.510 -11.213 582 3HZ LYS 67 3HZ LYS 67 7.074 15.703 -11.129 583 H SER 68 H SER 68 -0.363 12.326 -9.077 584 HA SER 68 HA SER 68 -1.929 14.084 -7.429 585 1HB SER 68 1HB SER 68 -2.473 11.550 -8.971 586 2HB SER 68 2HB SER 68 -3.745 12.267 -7.987 587 HG SER 68 HG SER 68 -3.627 14.111 -9.199 588 H LEU 69 H LEU 69 -1.016 10.632 -6.941 589 HA LEU 69 HA LEU 69 -2.479 10.267 -4.482 590 1HB LEU 69 1HB LEU 69 -0.070 8.980 -5.766 591 2HB LEU 69 2HB LEU 69 -0.556 8.501 -4.138 592 HG LEU 69 HG LEU 69 -2.963 8.410 -5.360 593 1HD1 LEU 69 1HD1 LEU 69 -2.307 8.964 -7.569 594 2HD1 LEU 69 2HD1 LEU 69 -2.455 7.207 -7.588 595 3HD1 LEU 69 3HD1 LEU 69 -0.863 7.956 -7.481 596 1HD2 LEU 69 1HD2 LEU 69 -2.132 6.551 -4.113 597 2HD2 LEU 69 2HD2 LEU 69 -0.786 6.313 -5.228 598 3HD2 LEU 69 3HD2 LEU 69 -2.431 5.932 -5.738 599 H SER 70 H SER 70 0.923 11.305 -5.070 600 HA SER 70 HA SER 70 1.672 11.597 -2.309 601 1HB SER 70 1HB SER 70 3.168 11.674 -4.370 602 2HB SER 70 2HB SER 70 2.593 13.317 -4.640 603 HG SER 70 HG SER 70 4.508 13.325 -3.427 604 H ASP 71 H ASP 71 0.127 13.919 -4.583 605 HA ASP 71 HA ASP 71 0.103 16.144 -2.726 606 1HB ASP 71 1HB ASP 71 -0.391 15.903 -5.347 607 2HB ASP 71 2HB ASP 71 -2.058 15.816 -4.776 608 H MET 72 H MET 72 -1.922 13.261 -2.909 609 HA MET 72 HA MET 72 -4.078 14.500 -1.280 610 1HB MET 72 1HB MET 72 -4.541 12.786 -3.062 611 2HB MET 72 2HB MET 72 -3.595 11.616 -2.141 612 1HG MET 72 1HG MET 72 -5.149 11.955 -0.208 613 2HG MET 72 2HG MET 72 -6.135 12.999 -1.231 614 1HE MET 72 1HE MET 72 -5.287 8.530 -1.795 615 2HE MET 72 2HE MET 72 -4.473 9.673 -0.729 616 3HE MET 72 3HE MET 72 -4.172 9.730 -2.464 617 H THR 73 H THR 73 -1.492 12.034 -1.001 618 HA THR 73 HA THR 73 -1.825 11.325 1.739 619 HB THR 73 HB THR 73 0.422 11.406 -0.266 620 HG1 THR 73 HG1 THR 73 0.227 9.248 -0.076 621 1HG2 THR 73 1HG2 THR 73 1.804 11.914 1.526 622 2HG2 THR 73 2HG2 THR 73 1.789 10.152 1.575 623 3HG2 THR 73 3HG2 THR 73 0.783 11.075 2.692 624 H ALA 74 H ALA 74 -0.185 14.177 0.263 625 HA ALA 74 HA ALA 74 1.086 15.227 2.595 626 1HB ALA 74 1HB ALA 74 -0.245 16.584 0.227 627 2HB ALA 74 2HB ALA 74 1.467 16.205 0.417 628 3HB ALA 74 3HB ALA 74 0.725 17.457 1.414 629 H LYS 75 H LYS 75 -2.334 15.522 1.536 630 HA LYS 75 HA LYS 75 -2.979 17.169 3.931 631 1HB LYS 75 1HB LYS 75 -4.598 16.138 1.577 632 2HB LYS 75 2HB LYS 75 -5.267 17.150 2.858 633 1HG LYS 75 1HG LYS 75 -3.325 18.774 2.314 634 2HG LYS 75 2HG LYS 75 -3.161 17.856 0.817 635 1HD LYS 75 1HD LYS 75 -4.636 19.633 0.268 636 2HD LYS 75 2HD LYS 75 -5.689 18.237 0.508 637 1HE LYS 75 1HE LYS 75 -5.621 19.174 3.049 638 2HE LYS 75 2HE LYS 75 -5.419 20.696 2.158 639 1HZ LYS 75 1HZ LYS 75 -7.753 20.220 2.341 640 2HZ LYS 75 2HZ LYS 75 -7.533 18.651 1.726 641 3HZ LYS 75 3HZ LYS 75 -7.287 20.001 0.725 642 H GLU 76 H GLU 76 -3.474 13.838 2.703 643 HA GLU 76 HA GLU 76 -5.414 13.008 4.662 644 1HB GLU 76 1HB GLU 76 -3.316 11.543 3.047 645 2HB GLU 76 2HB GLU 76 -4.458 10.699 4.092 646 1HG GLU 76 1HG GLU 76 -5.463 12.697 2.083 647 2HG GLU 76 2HG GLU 76 -5.070 11.055 1.571 648 H LYS 77 H LYS 77 -1.959 13.628 5.053 649 HA LYS 77 HA LYS 77 -0.570 13.385 6.930 650 1HB LYS 77 1HB LYS 77 -3.202 13.979 7.804 651 2HB LYS 77 2HB LYS 77 -2.628 12.693 8.863 652 1HG LYS 77 1HG LYS 77 -0.760 13.963 9.581 653 2HG LYS 77 2HG LYS 77 -0.921 15.106 8.246 654 1HD LYS 77 1HD LYS 77 -3.227 14.820 10.125 655 2HD LYS 77 2HD LYS 77 -1.808 15.705 10.687 656 1HE LYS 77 1HE LYS 77 -1.935 17.174 8.693 657 2HE LYS 77 2HE LYS 77 -3.383 16.299 8.155 658 1HZ LYS 77 1HZ LYS 77 -4.113 18.162 9.423 659 2HZ LYS 77 2HZ LYS 77 -3.033 17.812 10.686 660 3HZ LYS 77 3HZ LYS 77 -4.350 16.784 10.382 661 H PHE 78 H PHE 78 -0.773 11.124 5.303 662 HA PHE 78 HA PHE 78 -1.619 8.689 6.514 663 1HB PHE 78 1HB PHE 78 0.243 9.515 4.373 664 2HB PHE 78 2HB PHE 78 0.639 7.963 5.107 665 HD1 PHE 78 HD1 PHE 78 -1.664 6.591 5.738 666 HD2 PHE 78 HD2 PHE 78 -1.127 9.342 2.481 667 HE1 PHE 78 HE1 PHE 78 -3.558 5.533 4.528 668 HE2 PHE 78 HE2 PHE 78 -3.012 8.275 1.266 669 HZ PHE 78 HZ PHE 78 -4.229 6.371 2.293 670 H SER 79 H SER 79 0.393 6.931 6.976 671 HA SER 79 HA SER 79 1.706 8.067 9.393 672 1HB SER 79 1HB SER 79 1.935 5.283 9.407 673 2HB SER 79 2HB SER 79 0.704 6.211 10.257 674 HG SER 79 HG SER 79 0.035 4.497 8.688 675 HA PRO 80 HA PRO 80 5.723 7.357 7.792 676 1HB PRO 80 1HB PRO 80 6.985 5.646 9.506 677 2HB PRO 80 2HB PRO 80 6.674 7.353 9.872 678 1HG PRO 80 1HG PRO 80 5.145 4.936 10.718 679 2HG PRO 80 2HG PRO 80 5.620 6.357 11.667 680 1HD PRO 80 1HD PRO 80 3.142 6.080 10.694 681 2HD PRO 80 2HD PRO 80 3.927 7.669 10.803 682 H LEU 81 H LEU 81 3.670 4.522 8.195 683 HA LEU 81 HA LEU 81 5.455 2.990 6.343 684 1HB LEU 81 1HB LEU 81 3.423 2.313 8.463 685 2HB LEU 81 2HB LEU 81 3.726 1.167 7.152 686 HG LEU 81 HG LEU 81 5.153 0.692 9.125 687 1HD1 LEU 81 1HD1 LEU 81 7.028 0.181 7.873 688 2HD1 LEU 81 2HD1 LEU 81 7.059 1.759 7.082 689 3HD1 LEU 81 3HD1 LEU 81 5.890 0.540 6.573 690 1HD2 LEU 81 1HD2 LEU 81 6.733 2.234 9.971 691 2HD2 LEU 81 2HD2 LEU 81 5.285 3.210 9.721 692 3HD2 LEU 81 3HD2 LEU 81 6.605 3.275 8.553 693 H THR 82 H THR 82 3.343 5.227 5.666 694 HA THR 82 HA THR 82 1.839 3.522 3.745 695 HB THR 82 HB THR 82 0.444 5.881 4.938 696 HG1 THR 82 HG1 THR 82 0.854 3.442 6.378 697 1HG2 THR 82 1HG2 THR 82 -1.065 3.490 5.012 698 2HG2 THR 82 2HG2 THR 82 -0.134 3.404 3.520 699 3HG2 THR 82 3HG2 THR 82 -1.185 4.781 3.821 700 H SER 83 H SER 83 4.239 5.504 3.512 701 HA SER 83 HA SER 83 2.998 7.100 1.310 702 1HB SER 83 1HB SER 83 5.443 8.120 2.713 703 2HB SER 83 2HB SER 83 4.076 9.025 2.070 704 HG SER 83 HG SER 83 3.848 9.109 4.245 705 H ASN 84 H ASN 84 3.813 4.661 0.852 706 HA ASN 84 HA ASN 84 6.065 4.912 -1.016 707 1HB ASN 84 1HB ASN 84 6.349 3.821 1.717 708 2HB ASN 84 2HB ASN 84 6.902 2.710 0.463 709 1HD2 ASN 84 1HD2 ASN 84 8.412 3.855 -1.282 710 2HD2 ASN 84 2HD2 ASN 84 9.522 4.979 -0.659 711 H LEU 85 H LEU 85 4.260 2.481 0.946 712 HA LEU 85 HA LEU 85 3.858 0.561 -1.150 713 1HB LEU 85 1HB LEU 85 3.469 0.095 1.247 714 2HB LEU 85 2HB LEU 85 2.162 1.274 1.286 715 HG LEU 85 HG LEU 85 0.934 -0.081 -0.410 716 1HD1 LEU 85 1HD1 LEU 85 3.392 -1.800 -0.107 717 2HD1 LEU 85 2HD1 LEU 85 2.592 -1.268 -1.586 718 3HD1 LEU 85 3HD1 LEU 85 1.850 -2.514 -0.582 719 1HD2 LEU 85 1HD2 LEU 85 0.025 -1.462 1.198 720 2HD2 LEU 85 2HD2 LEU 85 1.007 -0.442 2.251 721 3HD2 LEU 85 3HD2 LEU 85 1.601 -2.026 1.753 722 H ILE 86 H ILE 86 2.188 3.671 -0.384 723 HA ILE 86 HA ILE 86 -0.086 3.093 -2.121 724 HB ILE 86 HB ILE 86 1.064 5.647 -0.950 725 1HG1 ILE 86 1HG1 ILE 86 -1.327 3.882 -0.317 726 2HG1 ILE 86 2HG1 ILE 86 0.101 4.126 0.685 727 1HG2 ILE 86 1HG2 ILE 86 -1.501 5.255 -2.541 728 2HG2 ILE 86 2HG2 ILE 86 -0.111 6.221 -3.037 729 3HG2 ILE 86 3HG2 ILE 86 -1.082 6.720 -1.653 730 1HD1 ILE 86 1HD1 ILE 86 -1.530 5.527 1.669 731 2HD1 ILE 86 2HD1 ILE 86 -2.140 6.060 0.101 732 3HD1 ILE 86 3HD1 ILE 86 -0.572 6.630 0.678 733 H ASN 87 H ASN 87 3.064 4.763 -2.559 734 HA ASN 87 HA ASN 87 2.634 5.718 -5.231 735 1HB ASN 87 1HB ASN 87 4.598 6.209 -3.695 736 2HB ASN 87 2HB ASN 87 5.220 4.603 -4.080 737 1HD2 ASN 87 1HD2 ASN 87 6.233 7.461 -4.828 738 2HD2 ASN 87 2HD2 ASN 87 6.434 7.370 -6.511 739 H LEU 88 H LEU 88 3.850 2.541 -4.056 740 HA LEU 88 HA LEU 88 4.289 1.359 -6.649 741 1HB LEU 88 1HB LEU 88 3.473 0.110 -3.994 742 2HB LEU 88 2HB LEU 88 4.085 -0.793 -5.379 743 HG LEU 88 HG LEU 88 5.721 1.514 -4.441 744 1HD1 LEU 88 1HD1 LEU 88 5.085 -0.900 -2.817 745 2HD1 LEU 88 2HD1 LEU 88 5.576 0.711 -2.293 746 3HD1 LEU 88 3HD1 LEU 88 6.782 -0.425 -2.898 747 1HD2 LEU 88 1HD2 LEU 88 6.788 0.429 -6.177 748 2HD2 LEU 88 2HD2 LEU 88 6.056 -1.128 -5.790 749 3HD2 LEU 88 3HD2 LEU 88 7.414 -0.531 -4.837 750 H LEU 89 H LEU 89 1.380 1.498 -4.534 751 HA LEU 89 HA LEU 89 -0.344 -0.169 -6.089 752 1HB LEU 89 1HB LEU 89 -0.735 2.190 -4.252 753 2HB LEU 89 2HB LEU 89 -2.124 1.527 -5.114 754 HG LEU 89 HG LEU 89 -0.245 -0.103 -3.378 755 1HD1 LEU 89 1HD1 LEU 89 -3.101 0.406 -2.657 756 2HD1 LEU 89 2HD1 LEU 89 -1.950 1.714 -2.382 757 3HD1 LEU 89 3HD1 LEU 89 -1.708 0.148 -1.607 758 1HD2 LEU 89 1HD2 LEU 89 -2.295 -1.691 -3.575 759 2HD2 LEU 89 2HD2 LEU 89 -1.211 -1.564 -4.963 760 3HD2 LEU 89 3HD2 LEU 89 -2.746 -0.696 -4.960 761 H ALA 90 H ALA 90 0.433 3.321 -6.447 762 HA ALA 90 HA ALA 90 -1.129 3.336 -9.003 763 1HB ALA 90 1HB ALA 90 -0.878 5.832 -8.719 764 2HB ALA 90 2HB ALA 90 -0.047 5.521 -7.195 765 3HB ALA 90 3HB ALA 90 -1.735 5.051 -7.390 766 H GLU 91 H GLU 91 1.692 2.140 -8.623 767 HA GLU 91 HA GLU 91 3.348 4.068 -10.190 768 1HB GLU 91 1HB GLU 91 4.307 2.874 -8.233 769 2HB GLU 91 2HB GLU 91 3.968 1.330 -9.014 770 1HG GLU 91 1HG GLU 91 5.399 2.142 -10.959 771 2HG GLU 91 2HG GLU 91 5.898 3.478 -9.921 772 H ASN 92 H ASN 92 1.979 0.741 -10.483 773 HA ASN 92 HA ASN 92 2.266 1.025 -13.453 774 1HB ASN 92 1HB ASN 92 3.241 -1.140 -11.594 775 2HB ASN 92 2HB ASN 92 2.895 -1.502 -13.287 776 1HD2 ASN 92 1HD2 ASN 92 5.292 -0.187 -11.154 777 2HD2 ASN 92 2HD2 ASN 92 6.321 0.430 -12.355 778 H GLY 93 H GLY 93 -0.150 1.273 -11.660 779 1HA GLY 93 1HA GLY 93 -2.399 0.631 -11.954 780 2HA GLY 93 2HA GLY 93 -1.865 -0.595 -13.108 781 H ARG 94 H ARG 94 -1.149 -0.002 -9.613 782 HA ARG 94 HA ARG 94 -1.629 -2.923 -9.179 783 1HB ARG 94 1HB ARG 94 0.071 -0.793 -7.953 784 2HB ARG 94 2HB ARG 94 -0.448 -2.124 -6.919 785 1HG ARG 94 1HG ARG 94 0.849 -2.543 -9.622 786 2HG ARG 94 2HG ARG 94 1.760 -2.498 -8.113 787 1HD ARG 94 1HD ARG 94 0.213 -4.335 -7.251 788 2HD ARG 94 2HD ARG 94 -0.381 -4.490 -8.917 789 HE ARG 94 HE ARG 94 2.276 -5.277 -7.972 790 1HH1 ARG 94 1HH1 ARG 94 0.306 -6.300 -10.224 791 2HH1 ARG 94 2HH1 ARG 94 1.333 -6.092 -11.602 792 1HH2 ARG 94 1HH2 ARG 94 3.631 -4.113 -9.921 793 2HH2 ARG 94 2HH2 ARG 94 3.216 -4.853 -11.431 794 H LEU 95 H LEU 95 -3.822 -0.707 -9.264 795 HA LEU 95 HA LEU 95 -4.818 -1.035 -6.454 796 1HB LEU 95 1HB LEU 95 -5.368 0.937 -8.690 797 2HB LEU 95 2HB LEU 95 -6.405 0.832 -7.268 798 HG LEU 95 HG LEU 95 -3.431 1.075 -6.909 799 1HD1 LEU 95 1HD1 LEU 95 -4.165 3.645 -6.659 800 2HD1 LEU 95 2HD1 LEU 95 -5.310 3.161 -7.910 801 3HD1 LEU 95 3HD1 LEU 95 -3.577 2.984 -8.184 802 1HD2 LEU 95 1HD2 LEU 95 -4.717 0.645 -4.915 803 2HD2 LEU 95 2HD2 LEU 95 -5.897 1.883 -5.342 804 3HD2 LEU 95 3HD2 LEU 95 -4.261 2.349 -4.874 805 H THR 96 H THR 96 -4.895 -3.185 -8.476 806 HA THR 96 HA THR 96 -7.829 -3.402 -9.049 807 HB THR 96 HB THR 96 -7.075 -5.171 -10.635 808 HG1 THR 96 HG1 THR 96 -4.915 -5.614 -10.826 809 1HG2 THR 96 1HG2 THR 96 -6.053 -2.384 -10.727 810 2HG2 THR 96 2HG2 THR 96 -7.096 -3.239 -11.862 811 3HG2 THR 96 3HG2 THR 96 -5.354 -3.509 -11.890 812 H ASN 97 H ASN 97 -4.981 -5.255 -7.824 813 HA ASN 97 HA ASN 97 -6.823 -6.998 -6.246 814 1HB ASN 97 1HB ASN 97 -3.888 -7.129 -7.038 815 2HB ASN 97 2HB ASN 97 -4.648 -8.299 -5.954 816 1HD2 ASN 97 1HD2 ASN 97 -4.330 -7.325 -9.328 817 2HD2 ASN 97 2HD2 ASN 97 -5.299 -8.565 -9.965 818 H THR 98 H THR 98 -6.364 -4.152 -5.499 819 HA THR 98 HA THR 98 -4.343 -4.016 -3.454 820 HB THR 98 HB THR 98 -5.215 -2.079 -4.751 821 HG1 THR 98 HG1 THR 98 -5.065 -0.718 -3.038 822 1HG2 THR 98 1HG2 THR 98 -7.687 -2.596 -3.082 823 2HG2 THR 98 2HG2 THR 98 -7.577 -2.514 -4.840 824 3HG2 THR 98 3HG2 THR 98 -7.368 -1.055 -3.874 825 HA PRO 99 HA PRO 99 -8.146 -4.493 -0.476 826 1HB PRO 99 1HB PRO 99 -9.815 -6.585 -1.118 827 2HB PRO 99 2HB PRO 99 -10.159 -4.887 -1.510 828 1HG PRO 99 1HG PRO 99 -8.994 -7.025 -3.235 829 2HG PRO 99 2HG PRO 99 -10.230 -5.814 -3.621 830 1HD PRO 99 1HD PRO 99 -7.711 -5.516 -4.404 831 2HD PRO 99 2HD PRO 99 -8.672 -4.117 -3.903 832 H ALA 100 H ALA 100 -6.775 -7.296 -2.272 833 HA ALA 100 HA ALA 100 -6.581 -9.029 0.055 834 1HB ALA 100 1HB ALA 100 -6.331 -9.793 -2.319 835 2HB ALA 100 2HB ALA 100 -4.968 -10.287 -1.309 836 3HB ALA 100 3HB ALA 100 -4.801 -8.917 -2.411 837 H VAL 101 H VAL 101 -4.374 -6.581 -1.394 838 HA VAL 101 HA VAL 101 -2.125 -6.979 0.333 839 HB VAL 101 HB VAL 101 -3.241 -4.403 -0.854 840 1HG1 VAL 101 1HG1 VAL 101 -1.631 -3.556 0.558 841 2HG1 VAL 101 2HG1 VAL 101 -0.586 -4.004 -0.790 842 3HG1 VAL 101 3HG1 VAL 101 -0.728 -5.070 0.609 843 1HG2 VAL 101 1HG2 VAL 101 -0.897 -5.675 -2.103 844 2HG2 VAL 101 2HG2 VAL 101 -2.358 -5.031 -2.850 845 3HG2 VAL 101 3HG2 VAL 101 -2.355 -6.664 -2.185 846 H ILE 102 H ILE 102 -5.202 -5.219 0.892 847 HA ILE 102 HA ILE 102 -4.269 -4.250 3.539 848 HB ILE 102 HB ILE 102 -6.993 -4.117 2.188 849 1HG1 ILE 102 1HG1 ILE 102 -4.802 -2.020 2.311 850 2HG1 ILE 102 2HG1 ILE 102 -5.129 -3.029 0.901 851 1HG2 ILE 102 1HG2 ILE 102 -7.062 -3.762 4.627 852 2HG2 ILE 102 2HG2 ILE 102 -7.385 -2.256 3.766 853 3HG2 ILE 102 3HG2 ILE 102 -5.800 -2.538 4.488 854 1HD1 ILE 102 1HD1 ILE 102 -6.239 -0.803 0.751 855 2HD1 ILE 102 2HD1 ILE 102 -7.152 -1.188 2.209 856 3HD1 ILE 102 3HD1 ILE 102 -7.397 -2.134 0.741 857 H SER 103 H SER 103 -6.717 -6.568 2.246 858 HA SER 103 HA SER 103 -7.630 -7.474 4.847 859 1HB SER 103 1HB SER 103 -7.763 -8.442 2.014 860 2HB SER 103 2HB SER 103 -8.103 -9.617 3.280 861 HG SER 103 HG SER 103 -10.021 -8.642 2.858 862 H ALA 104 H ALA 104 -5.312 -8.987 2.517 863 HA ALA 104 HA ALA 104 -4.452 -11.119 4.196 864 1HB ALA 104 1HB ALA 104 -2.369 -11.041 2.825 865 2HB ALA 104 2HB ALA 104 -2.854 -9.466 2.206 866 3HB ALA 104 3HB ALA 104 -3.814 -10.895 1.824 867 H PHE 105 H PHE 105 -3.488 -7.677 4.205 868 HA PHE 105 HA PHE 105 -1.187 -7.786 5.862 869 1HB PHE 105 1HB PHE 105 -2.291 -5.776 4.727 870 2HB PHE 105 2HB PHE 105 -3.417 -5.739 6.084 871 HD1 PHE 105 HD1 PHE 105 -0.265 -4.642 4.884 872 HD2 PHE 105 HD2 PHE 105 -2.333 -5.755 8.474 873 HE1 PHE 105 HE1 PHE 105 1.408 -3.417 6.229 874 HE2 PHE 105 HE2 PHE 105 -0.658 -4.532 9.816 875 HZ PHE 105 HZ PHE 105 1.215 -3.379 8.692 876 H SER 106 H SER 106 -4.661 -7.813 6.790 877 HA SER 106 HA SER 106 -4.099 -7.846 9.659 878 1HB SER 106 1HB SER 106 -6.408 -7.827 9.850 879 2HB SER 106 2HB SER 106 -6.293 -7.333 8.164 880 HG SER 106 HG SER 106 -6.784 -9.362 7.531 881 H THR 107 H THR 107 -4.676 -10.384 7.186 882 HA THR 107 HA THR 107 -4.640 -12.545 9.165 883 HB THR 107 HB THR 107 -4.072 -12.931 6.218 884 HG1 THR 107 HG1 THR 107 -6.141 -12.483 5.733 885 1HG2 THR 107 1HG2 THR 107 -5.855 -14.758 6.748 886 2HG2 THR 107 2HG2 THR 107 -5.499 -14.390 8.436 887 3HG2 THR 107 3HG2 THR 107 -4.219 -14.975 7.371 888 H MET 108 H MET 108 -2.153 -10.903 7.185 889 HA MET 108 HA MET 108 -0.110 -12.933 7.758 890 1HB MET 108 1HB MET 108 -0.053 -10.088 6.702 891 2HB MET 108 2HB MET 108 1.407 -11.055 6.907 892 1HG MET 108 1HG MET 108 -0.983 -11.937 5.266 893 2HG MET 108 2HG MET 108 0.442 -11.158 4.583 894 1HE MET 108 1HE MET 108 2.317 -13.059 3.415 895 2HE MET 108 2HE MET 108 0.624 -12.730 3.056 896 3HE MET 108 3HE MET 108 1.181 -14.395 3.187 897 H MET 109 H MET 109 -1.221 -9.876 9.265 898 HA MET 109 HA MET 109 0.949 -9.434 11.078 899 1HB MET 109 1HB MET 109 -1.010 -7.915 10.704 900 2HB MET 109 2HB MET 109 -2.036 -9.060 11.569 901 1HG MET 109 1HG MET 109 -0.194 -8.814 13.449 902 2HG MET 109 2HG MET 109 0.136 -7.286 12.630 903 1HE MET 109 1HE MET 109 -3.480 -8.590 15.049 904 2HE MET 109 2HE MET 109 -1.783 -8.785 15.483 905 3HE MET 109 3HE MET 109 -2.428 -9.627 14.076 906 H SER 110 H SER 110 -1.860 -11.699 11.336 907 HA SER 110 HA SER 110 -1.440 -12.517 14.051 908 1HB SER 110 1HB SER 110 -2.446 -13.941 11.577 909 2HB SER 110 2HB SER 110 -2.377 -14.764 13.133 910 HG SER 110 HG SER 110 -3.849 -13.382 13.938 911 H VAL 111 H VAL 111 0.384 -13.422 11.115 912 HA VAL 111 HA VAL 111 1.880 -15.544 12.499 913 HB VAL 111 HB VAL 111 2.423 -14.088 9.885 914 1HG1 VAL 111 1HG1 VAL 111 3.605 -16.305 9.386 915 2HG1 VAL 111 2HG1 VAL 111 3.501 -16.634 11.115 916 3HG1 VAL 111 3HG1 VAL 111 4.412 -15.239 10.535 917 1HG2 VAL 111 1HG2 VAL 111 1.416 -16.337 9.016 918 2HG2 VAL 111 2HG2 VAL 111 0.312 -15.090 9.599 919 3HG2 VAL 111 3HG2 VAL 111 0.720 -16.461 10.632 920 H HIS 112 H HIS 112 2.121 -12.093 12.620 921 HA HIS 112 HA HIS 112 5.039 -12.109 13.024 922 1HB HIS 112 1HB HIS 112 4.859 -9.912 12.438 923 2HB HIS 112 2HB HIS 112 3.243 -10.351 11.908 924 HD1 HIS 112 HD1 HIS 112 1.419 -10.183 14.121 925 HD2 HIS 112 HD2 HIS 112 4.794 -7.809 14.097 926 HE1 HIS 112 HE1 HIS 112 0.966 -8.313 15.756 927 H ARG 113 H ARG 113 2.073 -12.246 14.962 928 HA ARG 113 HA ARG 113 3.606 -11.472 17.406 929 1HB ARG 113 1HB ARG 113 1.351 -10.498 16.791 930 2HB ARG 113 2HB ARG 113 0.657 -12.094 17.079 931 1HG ARG 113 1HG ARG 113 1.121 -12.025 19.374 932 2HG ARG 113 2HG ARG 113 2.374 -10.798 19.182 933 1HD ARG 113 1HD ARG 113 0.486 -9.229 18.389 934 2HD ARG 113 2HD ARG 113 -0.628 -10.433 19.067 935 HE ARG 113 HE ARG 113 0.518 -10.129 21.254 936 1HH1 ARG 113 1HH2 ARG 113 2.700 -8.596 19.435 937 2HH1 ARG 113 2HH2 ARG 113 2.582 -7.037 20.182 938 1HH2 ARG 113 1HH1 ARG 113 -0.315 -7.798 21.929 939 2HH2 ARG 113 2HH1 ARG 113 0.876 -6.586 21.594 940 H GLY 114 H GLY 114 2.415 -14.389 15.804 941 1HA GLY 114 1HA GLY 114 2.163 -15.955 18.238 942 2HA GLY 114 2HA GLY 114 2.165 -16.585 16.593 943 H GLU 115 H GLU 115 4.706 -15.707 15.676 944 HA GLU 115 HA GLU 115 6.513 -17.224 17.536 945 1HB GLU 115 1HB GLU 115 6.443 -16.966 14.513 946 2HB GLU 115 2HB GLU 115 7.666 -17.868 15.409 947 1HG GLU 115 1HG GLU 115 5.919 -19.316 16.362 948 2HG GLU 115 2HG GLU 115 4.682 -18.406 15.494 949 H VAL 116 H VAL 116 6.486 -14.574 18.202 950 HA VAL 116 HA VAL 116 9.122 -13.625 17.197 951 HB VAL 116 HB VAL 116 6.537 -12.035 17.092 952 1HG1 VAL 116 1HG1 VAL 116 9.407 -11.284 16.467 953 2HG1 VAL 116 2HG1 VAL 116 8.350 -10.547 17.672 954 3HG1 VAL 116 3HG1 VAL 116 8.016 -10.328 15.955 955 1HG2 VAL 116 1HG2 VAL 116 8.321 -13.273 14.984 956 2HG2 VAL 116 2HG2 VAL 116 7.174 -11.988 14.607 957 3HG2 VAL 116 3HG2 VAL 116 6.594 -13.533 15.231 958 HA PRO 117 HA PRO 117 8.768 -12.949 21.698 959 1HB PRO 117 1HB PRO 117 11.461 -12.924 22.187 960 2HB PRO 117 2HB PRO 117 10.519 -14.422 22.049 961 1HG PRO 117 1HG PRO 117 12.279 -13.101 20.044 962 2HG PRO 117 2HG PRO 117 12.066 -14.822 20.401 963 1HD PRO 117 1HD PRO 117 10.917 -13.579 18.267 964 2HD PRO 117 2HD PRO 117 10.220 -15.007 19.063 965 H CYS 118 H CYS 118 8.857 -10.919 22.786 966 HA CYS 118 HA CYS 118 10.229 -8.699 21.300 967 1HB CYS 118 1HB CYS 118 7.687 -8.837 22.947 968 2HB CYS 118 2HB CYS 118 8.393 -7.320 22.389 969 HG CYS 118 HG CYS 118 8.143 -8.373 19.891 970 H THR 119 H THR 119 12.150 -8.313 22.466 971 HA THR 119 HA THR 119 11.844 -7.730 25.379 972 HB THR 119 HB THR 119 14.093 -9.407 24.242 973 HG1 THR 119 HG1 THR 119 12.400 -10.703 23.912 974 1HG2 THR 119 1HG2 THR 119 12.973 -9.210 27.048 975 2HG2 THR 119 2HG2 THR 119 14.335 -8.248 26.470 976 3HG2 THR 119 3HG2 THR 119 14.466 -10.005 26.547 977 H VAL 120 H VAL 120 12.149 -5.867 23.144 978 HA VAL 120 HA VAL 120 14.777 -4.679 23.906 979 HB VAL 120 HB VAL 120 15.047 -6.033 21.849 980 1HG1 VAL 120 1HG1 VAL 120 12.721 -5.905 21.048 981 2HG1 VAL 120 2HG1 VAL 120 13.844 -5.379 19.794 982 3HG1 VAL 120 3HG1 VAL 120 12.925 -4.186 20.712 983 1HG2 VAL 120 1HG2 VAL 120 16.357 -4.462 20.804 984 2HG2 VAL 120 2HG2 VAL 120 15.991 -3.545 22.265 985 3HG2 VAL 120 3HG2 VAL 120 15.076 -3.251 20.787 986 1H GLN 1 1H GLN 1 -2.661 -9.584 -18.090 987 2H GLN 1 2H GLN 1 -1.602 -9.649 -16.763 988 3H GLN 1 3H GLN 1 -2.687 -10.924 -17.051 989 HA GLN 1 HA GLN 1 -1.527 -11.587 -19.019 990 1HB GLN 1 1HB GLN 1 -1.090 -8.946 -19.258 991 2HB GLN 1 2HB GLN 1 0.483 -9.416 -18.612 992 1HG GLN 1 1HG GLN 1 0.928 -10.866 -20.426 993 2HG GLN 1 2HG GLN 1 -0.765 -10.905 -20.920 994 1HE2 GLN 1 1HE2 GLN 1 -0.910 -9.799 -22.917 995 2HE2 GLN 1 2HE2 GLN 1 -0.158 -8.311 -23.238 996 H LYS 2 H LYS 2 0.840 -12.522 -19.021 997 HA LYS 2 HA LYS 2 1.708 -12.938 -16.176 998 1HB LYS 2 1HB LYS 2 0.655 -14.752 -17.895 999 2HB LYS 2 2HB LYS 2 2.363 -14.904 -18.309 1000 1HG LYS 2 1HG LYS 2 2.025 -16.468 -16.552 1001 2HG LYS 2 2HG LYS 2 2.790 -15.078 -15.780 1002 1HD LYS 2 1HD LYS 2 0.964 -15.650 -14.362 1003 2HD LYS 2 2HD LYS 2 0.417 -14.246 -15.277 1004 1HE LYS 2 1HE LYS 2 -1.413 -15.629 -15.622 1005 2HE LYS 2 2HE LYS 2 -0.398 -16.196 -16.964 1006 1HZ LYS 2 1HZ LYS 2 0.602 -17.810 -15.404 1007 2HZ LYS 2 2HZ LYS 2 -1.056 -18.083 -15.658 1008 3HZ LYS 2 3HZ LYS 2 -0.524 -17.343 -14.225 1009 H THR 3 H THR 3 2.761 -10.744 -17.770 1010 HA THR 3 HA THR 3 5.535 -11.740 -18.350 1011 HB THR 3 HB THR 3 5.536 -9.672 -19.869 1012 HG1 THR 3 HG1 THR 3 3.609 -8.730 -20.262 1013 1HG2 THR 3 1HG2 THR 3 5.225 -12.011 -20.676 1014 2HG2 THR 3 2HG2 THR 3 4.351 -10.832 -21.653 1015 3HG2 THR 3 3HG2 THR 3 3.485 -11.817 -20.474 1016 H GLY 4 H GLY 4 6.943 -11.048 -16.728 1017 1HA GLY 4 1HA GLY 4 8.106 -9.256 -15.597 1018 2HA GLY 4 2HA GLY 4 6.666 -8.250 -15.762 1019 H THR 5 H THR 5 7.946 -11.114 -14.012 1020 HA THR 5 HA THR 5 5.902 -10.583 -11.876 1021 HB THR 5 HB THR 5 6.536 -13.061 -11.350 1022 HG1 THR 5 HG1 THR 5 8.284 -13.320 -12.643 1023 1HG2 THR 5 1HG2 THR 5 4.366 -12.680 -12.173 1024 2HG2 THR 5 2HG2 THR 5 5.051 -13.798 -13.352 1025 3HG2 THR 5 3HG2 THR 5 4.961 -12.075 -13.720 1026 H ALA 6 H ALA 6 7.106 -9.182 -10.477 1027 HA ALA 6 HA ALA 6 9.501 -10.427 -9.205 1028 1HB ALA 6 1HB ALA 6 10.805 -8.431 -9.584 1029 2HB ALA 6 2HB ALA 6 9.398 -7.565 -10.200 1030 3HB ALA 6 3HB ALA 6 10.100 -8.884 -11.137 1031 H GLU 7 H GLU 7 10.176 -8.279 -7.511 1032 HA GLU 7 HA GLU 7 7.646 -7.514 -6.119 1033 1HB GLU 7 1HB GLU 7 9.213 -9.687 -5.413 1034 2HB GLU 7 2HB GLU 7 9.840 -8.411 -4.369 1035 1HG GLU 7 1HG GLU 7 7.618 -7.952 -3.503 1036 2HG GLU 7 2HG GLU 7 6.898 -9.085 -4.648 1037 H VAL 8 H VAL 8 9.028 -5.664 -7.590 1038 HA VAL 8 HA VAL 8 11.281 -4.359 -6.497 1039 HB VAL 8 HB VAL 8 10.378 -2.307 -7.586 1040 1HG1 VAL 8 1HG1 VAL 8 11.281 -4.479 -8.810 1041 2HG1 VAL 8 2HG1 VAL 8 10.622 -3.129 -9.735 1042 3HG1 VAL 8 3HG1 VAL 8 9.628 -4.551 -9.419 1043 1HG2 VAL 8 1HG2 VAL 8 8.092 -2.908 -8.850 1044 2HG2 VAL 8 2HG2 VAL 8 8.099 -2.165 -7.251 1045 3HG2 VAL 8 3HG2 VAL 8 7.856 -3.901 -7.414 1046 H SER 9 H SER 9 7.923 -4.269 -5.303 1047 HA SER 9 HA SER 9 8.429 -2.048 -3.453 1048 1HB SER 9 1HB SER 9 6.160 -2.358 -4.081 1049 2HB SER 9 2HB SER 9 6.243 -4.101 -3.848 1050 HG SER 9 HG SER 9 5.228 -3.335 -2.068 1051 H SER 10 H SER 10 8.517 -5.630 -3.247 1052 HA SER 10 HA SER 10 8.971 -5.648 -0.352 1053 1HB SER 10 1HB SER 10 8.033 -7.603 -1.457 1054 2HB SER 10 2HB SER 10 9.401 -7.690 -2.562 1055 HG SER 10 HG SER 10 9.803 -9.142 -0.951 1056 H ILE 11 H ILE 11 11.099 -5.863 -3.253 1057 HA ILE 11 HA ILE 11 13.545 -6.192 -1.729 1058 HB ILE 11 HB ILE 11 13.227 -6.663 -4.191 1059 1HG1 ILE 11 1HG1 ILE 11 15.454 -4.664 -3.831 1060 2HG1 ILE 11 2HG1 ILE 11 15.477 -6.208 -2.977 1061 1HG2 ILE 11 1HG2 ILE 11 13.522 -3.665 -4.515 1062 2HG2 ILE 11 2HG2 ILE 11 11.987 -4.517 -4.658 1063 3HG2 ILE 11 3HG2 ILE 11 13.292 -4.859 -5.791 1064 1HD1 ILE 11 1HD1 ILE 11 16.499 -5.873 -5.471 1065 2HD1 ILE 11 2HD1 ILE 11 14.850 -6.354 -5.874 1066 3HD1 ILE 11 3HD1 ILE 11 15.860 -7.409 -4.885 1067 H LEU 12 H LEU 12 11.704 -3.298 -2.778 1068 HA LEU 12 HA LEU 12 13.670 -1.307 -2.172 1069 1HB LEU 12 1HB LEU 12 11.312 -1.129 -3.263 1070 2HB LEU 12 2HB LEU 12 10.718 -0.976 -1.609 1071 HG LEU 12 HG LEU 12 12.492 0.874 -1.334 1072 1HD1 LEU 12 1HD1 LEU 12 12.642 0.258 -4.249 1073 2HD1 LEU 12 2HD1 LEU 12 13.906 0.810 -3.152 1074 3HD1 LEU 12 3HD1 LEU 12 12.719 1.955 -3.776 1075 1HD2 LEU 12 1HD2 LEU 12 10.207 1.527 -1.387 1076 2HD2 LEU 12 2HD2 LEU 12 10.043 1.100 -3.091 1077 3HD2 LEU 12 3HD2 LEU 12 10.982 2.519 -2.623 1078 H GLU 13 H GLU 13 11.413 -3.071 0.000 1079 HA GLU 13 HA GLU 13 11.726 -1.476 2.348 1080 1HB GLU 13 1HB GLU 13 10.150 -3.403 2.046 1081 2HB GLU 13 2HB GLU 13 11.521 -4.504 2.169 1082 1HG GLU 13 1HG GLU 13 11.863 -2.934 4.404 1083 2HG GLU 13 2HG GLU 13 10.105 -3.023 4.290 1084 H GLU 14 H GLU 14 13.834 -4.087 1.066 1085 HA GLU 14 HA GLU 14 15.643 -4.117 3.340 1086 1HB GLU 14 1HB GLU 14 15.695 -5.063 0.488 1087 2HB GLU 14 2HB GLU 14 17.202 -5.061 1.404 1088 1HG GLU 14 1HG GLU 14 15.908 -6.301 3.238 1089 2HG GLU 14 2HG GLU 14 14.647 -6.547 2.031 1090 H ARG 15 H ARG 15 15.618 -2.260 0.267 1091 HA ARG 15 HA ARG 15 18.221 -1.033 0.674 1092 1HB ARG 15 1HB ARG 15 16.999 -1.193 -1.508 1093 2HB ARG 15 2HB ARG 15 15.830 -0.018 -0.904 1094 1HG ARG 15 1HG ARG 15 17.880 1.492 -0.447 1095 2HG ARG 15 2HG ARG 15 18.756 0.393 -1.512 1096 1HD ARG 15 1HD ARG 15 16.935 0.786 -3.247 1097 2HD ARG 15 2HD ARG 15 16.340 2.092 -2.202 1098 HE ARG 15 HE ARG 15 18.620 3.122 -2.392 1099 1HH1 ARG 15 1HH2 ARG 15 17.104 2.587 -5.124 1100 2HH1 ARG 15 2HH2 ARG 15 18.469 2.205 -6.119 1101 1HH2 ARG 15 1HH1 ARG 15 20.640 1.797 -3.447 1102 2HH2 ARG 15 2HH1 ARG 15 20.471 1.758 -5.171 1103 H ILE 16 H ILE 16 14.900 -0.091 1.662 1104 HA ILE 16 HA ILE 16 15.898 2.489 2.725 1105 HB ILE 16 HB ILE 16 13.542 2.902 3.258 1106 1HG1 ILE 16 1HG1 ILE 16 12.836 0.167 2.192 1107 2HG1 ILE 16 2HG1 ILE 16 13.156 0.406 3.908 1108 1HG2 ILE 16 1HG2 ILE 16 13.966 1.578 0.565 1109 2HG2 ILE 16 2HG2 ILE 16 14.216 3.280 0.954 1110 3HG2 ILE 16 3HG2 ILE 16 12.587 2.602 0.968 1111 1HD1 ILE 16 1HD1 ILE 16 11.358 1.945 4.136 1112 2HD1 ILE 16 2HD1 ILE 16 10.713 0.622 3.165 1113 3HD1 ILE 16 3HD1 ILE 16 11.197 2.131 2.389 1114 H LEU 17 H LEU 17 15.055 -0.730 4.016 1115 HA LEU 17 HA LEU 17 15.501 0.333 6.785 1116 1HB LEU 17 1HB LEU 17 13.399 -1.020 5.898 1117 2HB LEU 17 2HB LEU 17 14.456 -2.411 6.148 1118 HG LEU 17 HG LEU 17 14.901 -1.225 8.482 1119 1HD1 LEU 17 1HD1 LEU 17 12.448 0.063 7.382 1120 2HD1 LEU 17 2HD1 LEU 17 13.650 0.705 8.503 1121 3HD1 LEU 17 3HD1 LEU 17 12.409 -0.407 9.081 1122 1HD2 LEU 17 1HD2 LEU 17 12.597 -2.435 9.177 1123 2HD2 LEU 17 2HD2 LEU 17 14.034 -3.345 8.713 1124 3HD2 LEU 17 3HD2 LEU 17 12.752 -3.061 7.535 1125 H GLY 18 H GLY 18 16.202 -2.680 4.886 1126 1HA GLY 18 1HA GLY 18 18.096 -4.056 4.904 1127 2HA GLY 18 2HA GLY 18 19.012 -2.621 5.371 1128 H ALA 19 H ALA 19 19.737 -2.470 7.509 1129 HA ALA 19 HA ALA 19 18.506 -4.289 9.534 1130 1HB ALA 19 1HB ALA 19 20.510 -5.298 8.312 1131 2HB ALA 19 2HB ALA 19 20.659 -5.217 10.068 1132 3HB ALA 19 3HB ALA 19 21.487 -4.034 9.057 1133 H ASP 20 H ASP 20 18.552 -3.385 11.659 1134 HA ASP 20 HA ASP 20 20.032 -0.792 11.969 1135 1HB ASP 20 1HB ASP 20 17.473 -0.758 11.510 1136 2HB ASP 20 2HB ASP 20 17.317 -1.378 13.155 1137 H THR 21 H THR 21 21.168 -3.211 12.890 1138 HA THR 21 HA THR 21 20.847 -2.909 15.852 1139 HB THR 21 HB THR 21 21.299 -5.583 14.556 1140 HG1 THR 21 HG1 THR 21 19.169 -5.814 14.188 1141 1HG2 THR 21 1HG2 THR 21 19.909 -4.634 17.075 1142 2HG2 THR 21 2HG2 THR 21 21.487 -5.417 16.982 1143 3HG2 THR 21 3HG2 THR 21 20.029 -6.320 16.569 1144 H SER 22 H SER 22 22.845 -3.132 17.014 1145 HA SER 22 HA SER 22 25.281 -3.517 15.299 1146 1HB SER 22 1HB SER 22 24.565 -1.234 16.435 1147 2HB SER 22 2HB SER 22 25.246 -1.979 17.879 1148 HG SER 22 HG SER 22 26.946 -1.012 16.927 1149 H VAL 23 H VAL 23 25.073 -5.906 15.895 1150 HA VAL 23 HA VAL 23 26.419 -6.407 18.504 1151 HB VAL 23 HB VAL 23 23.987 -6.534 18.889 1152 1HG1 VAL 23 1HG1 VAL 23 22.610 -8.166 17.699 1153 2HG1 VAL 23 2HG1 VAL 23 24.005 -8.695 16.760 1154 3HG1 VAL 23 3HG1 VAL 23 23.358 -7.070 16.538 1155 1HG2 VAL 23 1HG2 VAL 23 24.109 -8.451 20.149 1156 2HG2 VAL 23 2HG2 VAL 23 25.812 -8.340 19.703 1157 3HG2 VAL 23 3HG2 VAL 23 24.736 -9.416 18.812 1158 H ASP 24 H ASP 24 27.736 -6.580 16.047 1159 HA ASP 24 HA ASP 24 28.940 -8.062 14.663 1160 1HB ASP 24 1HB ASP 24 28.370 -9.572 17.208 1161 2HB ASP 24 2HB ASP 24 29.273 -10.342 15.903 1162 H LEU 25 H LEU 25 27.006 -8.022 13.106 1163 HA LEU 25 HA LEU 25 25.679 -10.716 13.016 1164 1HB LEU 25 1HB LEU 25 24.357 -8.537 13.597 1165 2HB LEU 25 2HB LEU 25 24.528 -8.170 11.880 1166 HG LEU 25 HG LEU 25 23.595 -10.512 11.436 1167 1HD1 LEU 25 1HD1 LEU 25 23.921 -11.464 13.651 1168 2HD1 LEU 25 2HD1 LEU 25 22.192 -11.411 13.308 1169 3HD1 LEU 25 3HD1 LEU 25 22.917 -10.209 14.376 1170 1HD2 LEU 25 1HD2 LEU 25 21.253 -9.753 11.811 1171 2HD2 LEU 25 2HD2 LEU 25 22.254 -8.483 11.107 1172 3HD2 LEU 25 3HD2 LEU 25 21.860 -8.445 12.826 Start of MODEL 24 1 1H PHE 1 1H PHE 1 12.377 -14.014 -22.678 2 2H PHE 1 2H PHE 1 12.208 -15.469 -21.817 3 3H PHE 1 3H PHE 1 13.374 -14.329 -21.342 4 HA PHE 1 HA PHE 1 11.609 -12.748 -20.768 5 1HB PHE 1 1HB PHE 1 10.220 -14.366 -22.531 6 2HB PHE 1 2HB PHE 1 9.539 -14.838 -20.975 7 HD1 PHE 1 HD1 PHE 1 9.122 -12.718 -19.334 8 HD2 PHE 1 HD2 PHE 1 9.184 -12.599 -23.628 9 HE1 PHE 1 HE1 PHE 1 7.769 -10.640 -19.296 10 HE2 PHE 1 HE2 PHE 1 7.831 -10.521 -23.589 11 HZ PHE 1 HZ PHE 1 7.123 -9.542 -21.424 12 H ALA 2 H ALA 2 11.288 -12.698 -18.499 13 HA ALA 2 HA ALA 2 11.405 -15.332 -17.065 14 1HB ALA 2 1HB ALA 2 12.573 -12.922 -15.789 15 2HB ALA 2 2HB ALA 2 13.420 -13.502 -17.223 16 3HB ALA 2 3HB ALA 2 13.190 -14.574 -15.842 17 H LYS 3 H LYS 3 8.896 -14.190 -17.598 18 HA LYS 3 HA LYS 3 8.071 -13.313 -14.869 19 1HB LYS 3 1HB LYS 3 8.064 -11.775 -17.398 20 2HB LYS 3 2HB LYS 3 6.556 -11.703 -16.486 21 1HG LYS 3 1HG LYS 3 9.201 -11.285 -15.105 22 2HG LYS 3 2HG LYS 3 8.406 -9.954 -15.945 23 1HD LYS 3 1HD LYS 3 6.296 -10.709 -14.583 24 2HD LYS 3 2HD LYS 3 7.480 -11.485 -13.532 25 1HE LYS 3 1HE LYS 3 8.681 -9.269 -13.364 26 2HE LYS 3 2HE LYS 3 7.317 -8.536 -14.231 27 1HZ LYS 3 1HZ LYS 3 6.865 -8.399 -11.900 28 2HZ LYS 3 2HZ LYS 3 7.206 -10.048 -11.675 29 3HZ LYS 3 3HZ LYS 3 5.834 -9.574 -12.557 30 H LEU 4 H LEU 4 5.835 -13.875 -14.393 31 HA LEU 4 HA LEU 4 4.571 -15.676 -16.439 32 1HB LEU 4 1HB LEU 4 4.603 -15.675 -13.404 33 2HB LEU 4 2HB LEU 4 3.579 -16.744 -14.362 34 HG LEU 4 HG LEU 4 6.587 -16.593 -14.676 35 1HD1 LEU 4 1HD1 LEU 4 5.678 -17.426 -12.400 36 2HD1 LEU 4 2HD1 LEU 4 6.796 -18.481 -13.266 37 3HD1 LEU 4 3HD1 LEU 4 5.064 -18.810 -13.306 38 1HD2 LEU 4 1HD2 LEU 4 5.541 -17.460 -16.651 39 2HD2 LEU 4 2HD2 LEU 4 4.416 -18.435 -15.706 40 3HD2 LEU 4 3HD2 LEU 4 6.126 -18.861 -15.754 41 H VAL 5 H VAL 5 2.149 -15.617 -16.477 42 HA VAL 5 HA VAL 5 0.994 -13.112 -15.298 43 HB VAL 5 HB VAL 5 0.646 -14.229 -18.105 44 1HG1 VAL 5 1HG1 VAL 5 -1.394 -13.132 -17.248 45 2HG1 VAL 5 2HG1 VAL 5 -0.640 -12.159 -18.510 46 3HG1 VAL 5 3HG1 VAL 5 -0.449 -11.707 -16.817 47 1HG2 VAL 5 1HG2 VAL 5 2.043 -11.730 -17.092 48 2HG2 VAL 5 2HG2 VAL 5 1.823 -12.157 -18.788 49 3HG2 VAL 5 3HG2 VAL 5 2.839 -13.159 -17.751 50 H ARG 6 H ARG 6 -0.309 -14.170 -13.707 51 HA ARG 6 HA ARG 6 -2.426 -15.980 -14.800 52 1HB ARG 6 1HB ARG 6 -2.080 -17.414 -12.791 53 2HB ARG 6 2HB ARG 6 -0.633 -17.332 -13.794 54 1HG ARG 6 1HG ARG 6 0.442 -15.816 -12.304 55 2HG ARG 6 2HG ARG 6 -1.063 -15.473 -11.449 56 1HD ARG 6 1HD ARG 6 -0.893 -18.196 -11.141 57 2HD ARG 6 2HD ARG 6 0.818 -17.722 -11.091 58 HE ARG 6 HE ARG 6 -1.276 -16.453 -9.361 59 1HH1 ARG 6 1HH2 ARG 6 1.424 -15.119 -9.661 60 2HH1 ARG 6 2HH2 ARG 6 2.272 -15.739 -8.284 61 1HH2 ARG 6 1HH1 ARG 6 0.023 -18.320 -7.728 62 2HH2 ARG 6 2HH1 ARG 6 1.479 -17.550 -7.189 63 HA PRO 7 HA PRO 7 -5.011 -13.303 -12.414 64 1HB PRO 7 1HB PRO 7 -7.198 -14.910 -12.058 65 2HB PRO 7 2HB PRO 7 -6.812 -14.134 -13.607 66 1HG PRO 7 1HG PRO 7 -6.351 -16.939 -12.730 67 2HG PRO 7 2HG PRO 7 -6.849 -16.316 -14.310 68 1HD PRO 7 1HD PRO 7 -4.304 -17.116 -13.732 69 2HD PRO 7 2HD PRO 7 -4.699 -15.902 -14.969 70 HA PRO 8 HA PRO 8 -4.584 -14.409 -8.164 71 1HB PRO 8 1HB PRO 8 -6.845 -13.424 -6.978 72 2HB PRO 8 2HB PRO 8 -5.531 -12.384 -7.564 73 1HG PRO 8 1HG PRO 8 -8.149 -13.019 -8.828 74 2HG PRO 8 2HG PRO 8 -7.260 -11.488 -8.779 75 1HD PRO 8 1HD PRO 8 -7.303 -13.135 -10.951 76 2HD PRO 8 2HD PRO 8 -5.955 -12.039 -10.577 77 H VAL 9 H VAL 9 -5.842 -15.609 -6.251 78 HA VAL 9 HA VAL 9 -7.879 -17.510 -7.317 79 HB VAL 9 HB VAL 9 -5.259 -18.243 -5.964 80 1HG1 VAL 9 1HG1 VAL 9 -5.942 -20.531 -6.160 81 2HG1 VAL 9 2HG1 VAL 9 -7.344 -20.097 -7.140 82 3HG1 VAL 9 3HG1 VAL 9 -7.300 -19.677 -5.428 83 1HG2 VAL 9 1HG2 VAL 9 -4.829 -19.382 -8.167 84 2HG2 VAL 9 2HG2 VAL 9 -4.903 -17.623 -8.285 85 3HG2 VAL 9 3HG2 VAL 9 -6.279 -18.599 -8.799 86 H GLN 10 H GLN 10 -5.889 -16.975 -4.330 87 HA GLN 10 HA GLN 10 -8.425 -16.637 -2.794 88 1HB GLN 10 1HB GLN 10 -6.407 -18.831 -2.658 89 2HB GLN 10 2HB GLN 10 -7.073 -18.258 -1.129 90 1HG GLN 10 1HG GLN 10 -9.268 -18.859 -1.710 91 2HG GLN 10 2HG GLN 10 -8.898 -18.900 -3.434 92 1HE2 GLN 10 1HE2 GLN 10 -9.142 -21.094 -4.061 93 2HE2 GLN 10 2HE2 GLN 10 -8.445 -22.398 -3.228 94 H ILE 11 H ILE 11 -4.866 -16.963 -2.198 95 HA ILE 11 HA ILE 11 -5.072 -14.461 -0.562 96 HB ILE 11 HB ILE 11 -4.613 -16.569 0.589 97 1HG1 ILE 11 1HG1 ILE 11 -2.431 -15.753 1.702 98 2HG1 ILE 11 2HG1 ILE 11 -2.494 -14.422 0.546 99 1HG2 ILE 11 1HG2 ILE 11 -3.290 -18.059 -0.490 100 2HG2 ILE 11 2HG2 ILE 11 -1.929 -17.097 0.083 101 3HG2 ILE 11 3HG2 ILE 11 -2.596 -16.810 -1.523 102 1HD1 ILE 11 1HD1 ILE 11 -4.961 -15.066 2.114 103 2HD1 ILE 11 2HD1 ILE 11 -4.412 -13.515 1.482 104 3HD1 ILE 11 3HD1 ILE 11 -3.653 -14.200 2.920 105 H TYR 12 H TYR 12 -3.452 -15.744 -3.417 106 HA TYR 12 HA TYR 12 -1.700 -14.895 -4.728 107 1HB TYR 12 1HB TYR 12 -2.007 -12.123 -4.456 108 2HB TYR 12 2HB TYR 12 -2.846 -13.142 -5.612 109 HD1 TYR 12 HD1 TYR 12 -3.273 -10.783 -3.014 110 HD2 TYR 12 HD2 TYR 12 -5.027 -14.353 -4.638 111 HE1 TYR 12 HE1 TYR 12 -5.410 -10.257 -1.878 112 HE2 TYR 12 HE2 TYR 12 -7.150 -13.836 -3.485 113 HH TYR 12 HH TYR 12 -7.593 -12.112 -1.111 114 H GLY 13 H GLY 13 0.076 -15.647 -3.361 115 1HA GLY 13 1HA GLY 13 1.122 -14.235 -1.143 116 2HA GLY 13 2HA GLY 13 2.056 -15.319 -2.168 117 H ILE 14 H ILE 14 1.979 -13.909 -4.638 118 HA ILE 14 HA ILE 14 4.079 -12.002 -4.234 119 HB ILE 14 HB ILE 14 3.303 -13.326 -6.354 120 1HG1 ILE 14 1HG1 ILE 14 5.277 -11.869 -6.290 121 2HG1 ILE 14 2HG1 ILE 14 4.431 -11.696 -7.825 122 1HG2 ILE 14 1HG2 ILE 14 1.714 -10.768 -6.718 123 2HG2 ILE 14 2HG2 ILE 14 1.043 -12.389 -6.531 124 3HG2 ILE 14 3HG2 ILE 14 1.989 -11.987 -7.964 125 1HD1 ILE 14 1HD1 ILE 14 4.730 -9.744 -5.594 126 2HD1 ILE 14 2HD1 ILE 14 3.187 -9.746 -6.449 127 3HD1 ILE 14 3HD1 ILE 14 4.686 -9.466 -7.335 128 H GLU 15 H GLU 15 0.547 -11.481 -4.619 129 HA GLU 15 HA GLU 15 0.831 -8.555 -4.431 130 1HB GLU 15 1HB GLU 15 -1.162 -10.350 -5.237 131 2HB GLU 15 2HB GLU 15 -1.794 -9.676 -3.735 132 1HG GLU 15 1HG GLU 15 -2.524 -8.016 -5.132 133 2HG GLU 15 2HG GLU 15 -0.884 -7.409 -4.896 134 H GLY 16 H GLY 16 -0.063 -11.223 -2.191 135 1HA GLY 16 1HA GLY 16 -0.622 -9.553 0.068 136 2HA GLY 16 2HA GLY 16 -0.138 -11.249 0.150 137 H ARG 17 H ARG 17 2.433 -10.894 -1.260 138 HA ARG 17 HA ARG 17 4.150 -10.287 0.944 139 1HB ARG 17 1HB ARG 17 4.544 -11.478 -1.385 140 2HB ARG 17 2HB ARG 17 5.037 -9.865 -1.899 141 1HG ARG 17 1HG ARG 17 6.960 -9.930 -0.685 142 2HG ARG 17 2HG ARG 17 6.176 -10.703 0.692 143 1HD ARG 17 1HD ARG 17 6.403 -12.430 -1.703 144 2HD ARG 17 2HD ARG 17 7.947 -11.990 -0.947 145 HE ARG 17 HE ARG 17 7.191 -13.006 1.116 146 1HH1 ARG 17 1HH1 ARG 17 5.985 -14.524 -1.500 147 2HH1 ARG 17 2HH1 ARG 17 4.541 -15.130 -0.763 148 1HH2 ARG 17 1HH2 ARG 17 4.867 -13.194 2.095 149 2HH2 ARG 17 2HH2 ARG 17 3.908 -14.378 1.272 150 H TYR 18 H TYR 18 2.669 -8.078 -1.434 151 HA TYR 18 HA TYR 18 4.460 -5.863 -1.126 152 1HB TYR 18 1HB TYR 18 1.572 -6.241 -1.825 153 2HB TYR 18 2HB TYR 18 2.086 -4.608 -1.416 154 HD1 TYR 18 HD1 TYR 18 3.787 -7.414 -3.253 155 HD2 TYR 18 HD2 TYR 18 2.337 -3.371 -3.365 156 HE1 TYR 18 HE1 TYR 18 4.727 -7.138 -5.532 157 HE2 TYR 18 HE2 TYR 18 3.276 -3.095 -5.639 158 HH TYR 18 HH TYR 18 3.962 -5.318 -7.626 159 H ALA 19 H ALA 19 1.695 -6.902 0.913 160 HA ALA 19 HA ALA 19 2.006 -4.614 2.739 161 1HB ALA 19 1HB ALA 19 0.351 -7.118 2.595 162 2HB ALA 19 2HB ALA 19 -0.176 -5.443 2.759 163 3HB ALA 19 3HB ALA 19 0.492 -6.297 4.151 164 H THR 20 H THR 20 2.968 -8.081 2.750 165 HA THR 20 HA THR 20 4.129 -7.877 5.417 166 HB THR 20 HB THR 20 5.281 -10.096 4.262 167 HG1 THR 20 HG1 THR 20 3.704 -10.953 2.905 168 1HG2 THR 20 1HG2 THR 20 4.115 -10.283 6.311 169 2HG2 THR 20 2HG2 THR 20 3.151 -11.244 5.188 170 3HG2 THR 20 3HG2 THR 20 2.634 -9.613 5.624 171 H ALA 21 H ALA 21 5.375 -7.282 2.140 172 HA ALA 21 HA ALA 21 8.169 -7.293 3.081 173 1HB ALA 21 1HB ALA 21 6.961 -6.149 0.534 174 2HB ALA 21 2HB ALA 21 7.445 -7.833 0.727 175 3HB ALA 21 3HB ALA 21 8.658 -6.556 0.798 176 H LEU 22 H LEU 22 5.529 -4.971 3.081 177 HA LEU 22 HA LEU 22 7.469 -2.720 3.473 178 1HB LEU 22 1HB LEU 22 5.417 -2.595 1.925 179 2HB LEU 22 2HB LEU 22 4.440 -2.622 3.393 180 HG LEU 22 HG LEU 22 6.450 -0.690 3.871 181 1HD1 LEU 22 1HD1 LEU 22 5.710 0.836 1.835 182 2HD1 LEU 22 2HD1 LEU 22 5.499 -0.719 1.032 183 3HD1 LEU 22 3HD1 LEU 22 7.076 -0.269 1.682 184 1HD2 LEU 22 1HD2 LEU 22 3.565 -0.308 3.008 185 2HD2 LEU 22 2HD2 LEU 22 4.550 0.871 3.874 186 3HD2 LEU 22 3HD2 LEU 22 4.098 -0.645 4.655 187 H TYR 23 H TYR 23 4.766 -4.431 5.108 188 HA TYR 23 HA TYR 23 5.231 -2.913 7.556 189 1HB TYR 23 1HB TYR 23 3.150 -3.664 7.999 190 2HB TYR 23 2HB TYR 23 3.162 -4.479 6.449 191 HD1 TYR 23 HD1 TYR 23 4.332 -4.963 9.969 192 HD2 TYR 23 HD2 TYR 23 2.831 -6.757 6.378 193 HE1 TYR 23 HE1 TYR 23 4.238 -7.141 11.110 194 HE2 TYR 23 HE2 TYR 23 2.764 -8.936 7.486 195 HH TYR 23 HH TYR 23 4.336 -9.792 10.018 196 H SER 24 H SER 24 6.755 -5.730 6.076 197 HA SER 24 HA SER 24 7.564 -7.250 8.339 198 1HB SER 24 1HB SER 24 9.802 -7.368 6.890 199 2HB SER 24 2HB SER 24 8.316 -8.112 6.306 200 HG SER 24 HG SER 24 9.404 -6.705 4.778 201 H ALA 25 H ALA 25 8.818 -4.118 7.134 202 HA ALA 25 HA ALA 25 10.862 -3.907 9.242 203 1HB ALA 25 1HB ALA 25 11.363 -2.641 7.311 204 2HB ALA 25 2HB ALA 25 10.685 -1.411 8.378 205 3HB ALA 25 3HB ALA 25 9.690 -2.121 7.106 206 H ALA 26 H ALA 26 7.517 -2.707 8.644 207 HA ALA 26 HA ALA 26 7.259 -1.057 10.981 208 1HB ALA 26 1HB ALA 26 4.874 -1.280 10.587 209 2HB ALA 26 2HB ALA 26 5.105 -2.799 9.724 210 3HB ALA 26 3HB ALA 26 5.659 -1.285 9.010 211 H SER 27 H SER 27 6.823 -4.598 10.537 212 HA SER 27 HA SER 27 5.681 -5.242 13.064 213 1HB SER 27 1HB SER 27 6.235 -6.723 10.995 214 2HB SER 27 2HB SER 27 7.825 -6.913 11.728 215 HG SER 27 HG SER 27 6.930 -7.939 13.424 216 H LYS 28 H LYS 28 9.132 -4.771 12.163 217 HA LYS 28 HA LYS 28 10.242 -5.466 14.740 218 1HB LYS 28 1HB LYS 28 11.372 -5.041 12.412 219 2HB LYS 28 2HB LYS 28 11.406 -3.352 12.922 220 1HG LYS 28 1HG LYS 28 12.452 -4.288 15.122 221 2HG LYS 28 2HG LYS 28 12.799 -5.720 14.152 222 1HD LYS 28 1HD LYS 28 14.731 -4.475 13.800 223 2HD LYS 28 2HD LYS 28 13.745 -3.954 12.433 224 1HE LYS 28 1HE LYS 28 14.322 -1.867 13.256 225 2HE LYS 28 2HE LYS 28 12.906 -2.163 14.284 226 1HZ LYS 28 1HZ LYS 28 15.693 -2.949 14.956 227 2HZ LYS 28 2HZ LYS 28 14.324 -3.160 15.941 228 3HZ LYS 28 3HZ LYS 28 14.891 -1.597 15.593 229 H GLN 29 H GLN 29 9.008 -2.367 13.401 230 HA GLN 29 HA GLN 29 9.616 -0.972 15.952 231 1HB GLN 29 1HB GLN 29 8.649 -0.221 13.211 232 2HB GLN 29 2HB GLN 29 8.398 0.903 14.546 233 1HG GLN 29 1HG GLN 29 10.942 0.415 15.042 234 2HG GLN 29 2HG GLN 29 10.971 -0.065 13.345 235 1HE2 GLN 29 1HE2 GLN 29 10.624 1.625 11.707 236 2HE2 GLN 29 2HE2 GLN 29 10.629 3.270 12.129 237 H ASN 30 H ASN 30 7.018 -2.925 14.876 238 HA ASN 30 HA ASN 30 4.906 -3.309 15.800 239 1HB ASN 30 1HB ASN 30 6.392 -2.369 17.875 240 2HB ASN 30 2HB ASN 30 5.170 -1.100 17.778 241 1HD2 ASN 30 1HD2 ASN 30 2.946 -1.663 18.345 242 2HD2 ASN 30 2HD2 ASN 30 2.550 -3.179 18.998 243 H LYS 31 H LYS 31 5.220 -1.577 13.554 244 HA LYS 31 HA LYS 31 3.267 0.616 14.123 245 1HB LYS 31 1HB LYS 31 5.299 0.113 11.936 246 2HB LYS 31 2HB LYS 31 4.136 1.439 11.879 247 1HG LYS 31 1HG LYS 31 5.955 1.009 14.253 248 2HG LYS 31 2HG LYS 31 6.445 1.982 12.865 249 1HD LYS 31 1HD LYS 31 4.929 3.656 13.323 250 2HD LYS 31 2HD LYS 31 3.771 2.549 14.064 251 1HE LYS 31 1HE LYS 31 4.847 2.594 16.135 252 2HE LYS 31 2HE LYS 31 6.416 3.015 15.421 253 1HZ LYS 31 1HZ LYS 31 5.592 5.174 14.844 254 2HZ LYS 31 2HZ LYS 31 5.297 4.926 16.499 255 3HZ LYS 31 3HZ LYS 31 4.030 4.784 15.377 256 H LEU 32 H LEU 32 2.891 -2.539 13.262 257 HA LEU 32 HA LEU 32 1.615 -2.689 10.749 258 1HB LEU 32 1HB LEU 32 1.281 -4.032 13.406 259 2HB LEU 32 2HB LEU 32 0.068 -4.347 12.163 260 HG LEU 32 HG LEU 32 2.795 -4.426 11.097 261 1HD1 LEU 32 1HD1 LEU 32 2.483 -6.901 12.550 262 2HD1 LEU 32 2HD1 LEU 32 2.540 -5.537 13.666 263 3HD1 LEU 32 3HD1 LEU 32 3.849 -5.786 12.510 264 1HD2 LEU 32 1HD2 LEU 32 0.218 -5.779 10.813 265 2HD2 LEU 32 2HD2 LEU 32 1.561 -6.917 10.787 266 3HD2 LEU 32 3HD2 LEU 32 1.519 -5.582 9.636 267 H GLU 33 H GLU 33 0.335 -1.292 13.795 268 HA GLU 33 HA GLU 33 -2.385 -0.926 12.804 269 1HB GLU 33 1HB GLU 33 -1.284 -0.747 15.234 270 2HB GLU 33 2HB GLU 33 -1.126 0.951 14.787 271 1HG GLU 33 1HG GLU 33 -3.604 0.859 14.142 272 2HG GLU 33 2HG GLU 33 -3.657 -0.689 14.987 273 H GLN 34 H GLN 34 0.553 1.145 12.872 274 HA GLN 34 HA GLN 34 -0.642 3.459 11.611 275 1HB GLN 34 1HB GLN 34 2.190 2.406 11.785 276 2HB GLN 34 2HB GLN 34 1.793 3.967 11.064 277 1HG GLN 34 1HG GLN 34 1.041 3.147 13.885 278 2HG GLN 34 2HG GLN 34 2.438 4.144 13.477 279 1HE2 GLN 34 1HE2 GLN 34 1.897 6.259 12.233 280 2HE2 GLN 34 2HE2 GLN 34 0.418 7.011 12.589 281 H VAL 35 H VAL 35 0.508 0.390 10.262 282 HA VAL 35 HA VAL 35 0.374 1.568 7.522 283 HB VAL 35 HB VAL 35 1.208 -1.272 8.060 284 1HG1 VAL 35 1HG1 VAL 35 1.747 0.901 6.095 285 2HG1 VAL 35 2HG1 VAL 35 1.442 -0.814 5.821 286 3HG1 VAL 35 3HG1 VAL 35 3.029 -0.277 6.375 287 1HG2 VAL 35 1HG2 VAL 35 2.614 1.125 9.146 288 2HG2 VAL 35 2HG2 VAL 35 3.628 -0.034 8.286 289 3HG2 VAL 35 3HG2 VAL 35 2.687 -0.554 9.682 290 H GLU 36 H GLU 36 -1.136 -1.003 9.523 291 HA GLU 36 HA GLU 36 -2.729 -2.102 7.350 292 1HB GLU 36 1HB GLU 36 -2.085 -3.009 9.761 293 2HB GLU 36 2HB GLU 36 -3.599 -2.236 10.218 294 1HG GLU 36 1HG GLU 36 -3.556 -3.993 7.791 295 2HG GLU 36 2HG GLU 36 -3.583 -4.746 9.385 296 H LYS 37 H LYS 37 -3.272 0.586 9.651 297 HA LYS 37 HA LYS 37 -6.130 0.753 8.915 298 1HB LYS 37 1HB LYS 37 -4.777 1.366 11.162 299 2HB LYS 37 2HB LYS 37 -4.746 2.951 10.385 300 1HG LYS 37 1HG LYS 37 -6.736 2.798 11.778 301 2HG LYS 37 2HG LYS 37 -7.222 2.803 10.082 302 1HD LYS 37 1HD LYS 37 -6.814 0.095 10.658 303 2HD LYS 37 2HD LYS 37 -7.589 0.728 12.109 304 1HE LYS 37 1HE LYS 37 -8.663 1.303 9.332 305 2HE LYS 37 2HE LYS 37 -9.194 -0.091 10.296 306 1HZ LYS 37 1HZ LYS 37 -9.648 1.460 12.137 307 2HZ LYS 37 2HZ LYS 37 -10.614 1.776 10.775 308 3HZ LYS 37 3HZ LYS 37 -9.275 2.764 11.119 309 H GLU 38 H GLU 38 -3.114 2.539 8.094 310 HA GLU 38 HA GLU 38 -4.611 4.615 6.651 311 1HB GLU 38 1HB GLU 38 -1.740 3.794 6.961 312 2HB GLU 38 2HB GLU 38 -2.184 4.901 5.665 313 1HG GLU 38 1HG GLU 38 -1.621 6.246 7.586 314 2HG GLU 38 2HG GLU 38 -3.368 6.318 7.378 315 H LEU 39 H LEU 39 -3.034 1.517 5.764 316 HA LEU 39 HA LEU 39 -3.202 1.731 2.918 317 1HB LEU 39 1HB LEU 39 -3.022 -0.428 4.935 318 2HB LEU 39 2HB LEU 39 -3.818 -0.923 3.444 319 HG LEU 39 HG LEU 39 -1.129 0.470 3.568 320 1HD1 LEU 39 1HD1 LEU 39 -1.504 -2.041 4.409 321 2HD1 LEU 39 2HD1 LEU 39 -0.090 -1.591 3.456 322 3HD1 LEU 39 3HD1 LEU 39 -1.472 -2.361 2.676 323 1HD2 LEU 39 1HD2 LEU 39 -2.987 -0.360 1.403 324 2HD2 LEU 39 2HD2 LEU 39 -1.288 -0.747 1.141 325 3HD2 LEU 39 3HD2 LEU 39 -1.778 0.924 1.418 326 H LEU 40 H LEU 40 -5.732 0.861 5.326 327 HA LEU 40 HA LEU 40 -7.774 0.003 3.521 328 1HB LEU 40 1HB LEU 40 -7.867 -0.087 6.019 329 2HB LEU 40 2HB LEU 40 -8.080 1.664 6.051 330 HG LEU 40 HG LEU 40 -10.086 1.232 4.459 331 1HD1 LEU 40 1HD1 LEU 40 -11.098 -1.083 5.092 332 2HD1 LEU 40 2HD1 LEU 40 -9.439 -1.522 5.499 333 3HD1 LEU 40 3HD1 LEU 40 -9.842 -1.029 3.854 334 1HD2 LEU 40 1HD2 LEU 40 -9.921 0.649 7.404 335 2HD2 LEU 40 2HD2 LEU 40 -11.461 0.447 6.567 336 3HD2 LEU 40 3HD2 LEU 40 -10.665 2.020 6.581 337 H ARG 41 H ARG 41 -6.698 3.322 4.342 338 HA ARG 41 HA ARG 41 -8.887 4.773 3.203 339 1HB ARG 41 1HB ARG 41 -5.922 5.384 3.437 340 2HB ARG 41 2HB ARG 41 -7.105 6.574 2.895 341 1HG ARG 41 1HG ARG 41 -7.464 5.071 5.487 342 2HG ARG 41 2HG ARG 41 -6.517 6.558 5.410 343 1HD ARG 41 1HD ARG 41 -8.372 7.880 4.954 344 2HD ARG 41 2HD ARG 41 -9.256 6.550 4.178 345 HE ARG 41 HE ARG 41 -9.955 5.807 6.326 346 1HH1 ARG 41 1HH2 ARG 41 -10.004 8.677 7.124 347 2HH1 ARG 41 2HH2 ARG 41 -9.030 8.683 8.556 348 1HH2 ARG 41 1HH1 ARG 41 -7.598 5.591 7.914 349 2HH2 ARG 41 2HH1 ARG 41 -7.668 6.937 9.003 350 H VAL 42 H VAL 42 -5.863 3.561 1.645 351 HA VAL 42 HA VAL 42 -6.402 4.645 -0.968 352 HB VAL 42 HB VAL 42 -4.919 2.120 -0.133 353 1HG1 VAL 42 1HG1 VAL 42 -5.078 3.652 -2.729 354 2HG1 VAL 42 2HG1 VAL 42 -5.216 1.913 -2.468 355 3HG1 VAL 42 3HG1 VAL 42 -3.647 2.705 -2.323 356 1HG2 VAL 42 1HG2 VAL 42 -3.685 3.755 0.906 357 2HG2 VAL 42 2HG2 VAL 42 -4.279 5.027 -0.161 358 3HG2 VAL 42 3HG2 VAL 42 -3.010 3.935 -0.714 359 H GLY 43 H GLY 43 -7.395 1.536 0.548 360 1HA GLY 43 1HA GLY 43 -8.633 0.450 -1.806 361 2HA GLY 43 2HA GLY 43 -8.984 -0.044 -0.147 362 H GLN 44 H GLN 44 -9.955 2.321 0.978 363 HA GLN 44 HA GLN 44 -12.683 2.395 0.070 364 1HB GLN 44 1HB GLN 44 -11.602 3.140 2.319 365 2HB GLN 44 2HB GLN 44 -11.310 4.678 1.505 366 1HG GLN 44 1HG GLN 44 -13.598 5.128 1.257 367 2HG GLN 44 2HG GLN 44 -14.050 3.434 1.451 368 1HE2 GLN 44 1HE2 GLN 44 -15.182 3.239 3.427 369 2HE2 GLN 44 2HE2 GLN 44 -14.703 3.979 4.877 370 H ILE 45 H ILE 45 -9.890 4.521 -0.695 371 HA ILE 45 HA ILE 45 -11.335 6.512 -2.187 372 HB ILE 45 HB ILE 45 -8.494 5.428 -2.448 373 1HG1 ILE 45 1HG1 ILE 45 -9.293 8.059 -1.231 374 2HG1 ILE 45 2HG1 ILE 45 -9.426 6.581 -0.280 375 1HG2 ILE 45 1HG2 ILE 45 -7.921 7.193 -3.855 376 2HG2 ILE 45 2HG2 ILE 45 -9.282 8.184 -3.341 377 3HG2 ILE 45 3HG2 ILE 45 -9.543 6.832 -4.441 378 1HD1 ILE 45 1HD1 ILE 45 -7.155 8.050 -0.410 379 2HD1 ILE 45 2HD1 ILE 45 -6.877 6.949 -1.759 380 3HD1 ILE 45 3HD1 ILE 45 -7.157 6.308 -0.140 381 H LEU 46 H LEU 46 -9.911 3.375 -3.223 382 HA LEU 46 HA LEU 46 -10.827 3.776 -5.991 383 1HB LEU 46 1HB LEU 46 -8.803 2.406 -5.214 384 2HB LEU 46 2HB LEU 46 -9.958 1.182 -4.686 385 HG LEU 46 HG LEU 46 -10.874 1.057 -6.980 386 1HD1 LEU 46 1HD1 LEU 46 -9.416 2.180 -8.785 387 2HD1 LEU 46 2HD1 LEU 46 -8.782 3.182 -7.480 388 3HD1 LEU 46 3HD1 LEU 46 -10.501 3.230 -7.872 389 1HD2 LEU 46 1HD2 LEU 46 -8.951 -0.383 -6.241 390 2HD2 LEU 46 2HD2 LEU 46 -7.854 0.787 -6.973 391 3HD2 LEU 46 3HD2 LEU 46 -8.994 -0.104 -7.982 392 H LYS 47 H LYS 47 -12.101 2.193 -3.059 393 HA LYS 47 HA LYS 47 -14.212 0.734 -4.439 394 1HB LYS 47 1HB LYS 47 -13.568 1.530 -1.608 395 2HB LYS 47 2HB LYS 47 -15.190 0.939 -1.972 396 1HG LYS 47 1HG LYS 47 -12.793 -0.588 -2.952 397 2HG LYS 47 2HG LYS 47 -13.329 -0.776 -1.282 398 1HD LYS 47 1HD LYS 47 -15.409 -0.930 -3.415 399 2HD LYS 47 2HD LYS 47 -14.310 -2.301 -3.249 400 1HE LYS 47 1HE LYS 47 -15.451 -1.235 -0.713 401 2HE LYS 47 2HE LYS 47 -16.573 -2.096 -1.786 402 1HZ LYS 47 1HZ LYS 47 -13.876 -3.125 -1.096 403 2HZ LYS 47 2HZ LYS 47 -15.136 -3.956 -1.876 404 3HZ LYS 47 3HZ LYS 47 -15.271 -3.553 -0.232 405 H GLU 48 H GLU 48 -13.825 4.050 -3.150 406 HA GLU 48 HA GLU 48 -16.532 4.858 -3.071 407 1HB GLU 48 1HB GLU 48 -13.894 6.173 -3.570 408 2HB GLU 48 2HB GLU 48 -15.345 7.118 -3.904 409 1HG GLU 48 1HG GLU 48 -15.263 5.620 -1.328 410 2HG GLU 48 2HG GLU 48 -14.237 7.048 -1.464 411 HA PRO 49 HA PRO 49 -17.581 4.449 -7.391 412 1HB PRO 49 1HB PRO 49 -19.988 5.752 -7.364 413 2HB PRO 49 2HB PRO 49 -19.771 4.104 -6.739 414 1HG PRO 49 1HG PRO 49 -19.938 6.681 -5.264 415 2HG PRO 49 2HG PRO 49 -20.600 5.095 -4.843 416 1HD PRO 49 1HD PRO 49 -18.332 6.127 -3.734 417 2HD PRO 49 2HD PRO 49 -18.642 4.385 -3.899 418 H LYS 50 H LYS 50 -17.762 7.651 -5.773 419 HA LYS 50 HA LYS 50 -17.690 9.118 -8.332 420 1HB LYS 50 1HB LYS 50 -18.755 10.007 -6.251 421 2HB LYS 50 2HB LYS 50 -17.169 10.040 -5.478 422 1HG LYS 50 1HG LYS 50 -16.425 11.498 -7.468 423 2HG LYS 50 2HG LYS 50 -18.144 11.692 -7.810 424 1HD LYS 50 1HD LYS 50 -18.544 12.877 -5.848 425 2HD LYS 50 2HD LYS 50 -17.153 12.174 -5.021 426 1HE LYS 50 1HE LYS 50 -16.624 14.494 -5.554 427 2HE LYS 50 2HE LYS 50 -15.666 13.459 -6.633 428 1HZ LYS 50 1HZ LYS 50 -17.252 13.714 -8.355 429 2HZ LYS 50 2HZ LYS 50 -16.928 15.277 -7.777 430 3HZ LYS 50 3HZ LYS 50 -18.362 14.484 -7.330 431 H MET 51 H MET 51 -15.363 8.129 -5.806 432 HA MET 51 HA MET 51 -13.112 9.508 -7.114 433 1HB MET 51 1HB MET 51 -13.354 9.168 -4.641 434 2HB MET 51 2HB MET 51 -13.164 7.435 -4.902 435 1HG MET 51 1HG MET 51 -11.024 8.364 -4.282 436 2HG MET 51 2HG MET 51 -10.959 7.888 -5.976 437 1HE MET 51 1HE MET 51 -8.621 9.960 -6.162 438 2HE MET 51 2HE MET 51 -9.473 10.547 -7.588 439 3HE MET 51 3HE MET 51 -9.618 8.855 -7.117 440 H ALA 52 H ALA 52 -14.507 6.216 -7.128 441 HA ALA 52 HA ALA 52 -12.282 4.760 -8.165 442 1HB ALA 52 1HB ALA 52 -15.268 4.545 -8.291 443 2HB ALA 52 2HB ALA 52 -14.091 3.394 -7.657 444 3HB ALA 52 3HB ALA 52 -14.336 3.535 -9.397 445 H ALA 53 H ALA 53 -14.701 6.778 -9.889 446 HA ALA 53 HA ALA 53 -13.869 6.170 -12.566 447 1HB ALA 53 1HB ALA 53 -14.856 8.472 -13.045 448 2HB ALA 53 2HB ALA 53 -15.057 8.660 -11.303 449 3HB ALA 53 3HB ALA 53 -15.917 7.379 -12.156 450 H SER 54 H SER 54 -12.493 8.463 -10.174 451 HA SER 54 HA SER 54 -10.563 9.471 -12.210 452 1HB SER 54 1HB SER 54 -11.872 10.696 -10.185 453 2HB SER 54 2HB SER 54 -10.402 10.236 -9.329 454 HG SER 54 HG SER 54 -10.407 12.328 -10.480 455 H LEU 55 H LEU 55 -10.526 7.664 -9.091 456 HA LEU 55 HA LEU 55 -7.680 7.369 -8.899 457 1HB LEU 55 1HB LEU 55 -9.797 6.628 -7.367 458 2HB LEU 55 2HB LEU 55 -9.378 5.066 -8.071 459 HG LEU 55 HG LEU 55 -6.977 5.527 -7.387 460 1HD1 LEU 55 1HD1 LEU 55 -7.032 7.910 -7.092 461 2HD1 LEU 55 2HD1 LEU 55 -6.780 7.208 -5.493 462 3HD1 LEU 55 3HD1 LEU 55 -8.376 7.798 -5.955 463 1HD2 LEU 55 1HD2 LEU 55 -7.758 5.357 -4.792 464 2HD2 LEU 55 2HD2 LEU 55 -7.853 4.003 -5.917 465 3HD2 LEU 55 3HD2 LEU 55 -9.283 4.982 -5.595 466 H LEU 56 H LEU 56 -10.079 5.503 -10.803 467 HA LEU 56 HA LEU 56 -7.805 3.907 -11.938 468 1HB LEU 56 1HB LEU 56 -9.583 2.681 -10.694 469 2HB LEU 56 2HB LEU 56 -10.787 3.334 -11.802 470 HG LEU 56 HG LEU 56 -8.590 2.108 -13.273 471 1HD1 LEU 56 1HD1 LEU 56 -9.587 -0.262 -12.515 472 2HD1 LEU 56 2HD1 LEU 56 -9.782 0.603 -10.991 473 3HD1 LEU 56 3HD1 LEU 56 -8.184 0.457 -11.724 474 1HD2 LEU 56 1HD2 LEU 56 -10.316 1.379 -14.609 475 2HD2 LEU 56 2HD2 LEU 56 -11.197 2.631 -13.734 476 3HD2 LEU 56 3HD2 LEU 56 -11.335 0.944 -13.235 477 H ASN 57 H ASN 57 -8.522 6.646 -12.892 478 HA ASN 57 HA ASN 57 -10.018 6.150 -15.399 479 1HB ASN 57 1HB ASN 57 -9.802 8.279 -13.675 480 2HB ASN 57 2HB ASN 57 -8.697 8.757 -14.963 481 1HD2 ASN 57 1HD2 ASN 57 -9.984 10.296 -16.127 482 2HD2 ASN 57 2HD2 ASN 57 -11.504 9.923 -16.785 483 HA PRO 58 HA PRO 58 -6.071 5.475 -17.439 484 1HB PRO 58 1HB PRO 58 -7.052 5.036 -19.950 485 2HB PRO 58 2HB PRO 58 -7.069 3.800 -18.676 486 1HG PRO 58 1HG PRO 58 -9.270 5.537 -19.658 487 2HG PRO 58 2HG PRO 58 -9.313 3.852 -19.118 488 1HD PRO 58 1HD PRO 58 -10.123 5.980 -17.590 489 2HD PRO 58 2HD PRO 58 -9.566 4.428 -16.928 490 H TYR 59 H TYR 59 -8.285 8.078 -17.854 491 HA TYR 59 HA TYR 59 -6.884 9.377 -20.085 492 1HB TYR 59 1HB TYR 59 -9.123 10.185 -18.199 493 2HB TYR 59 2HB TYR 59 -8.603 11.149 -19.590 494 HD1 TYR 59 HD1 TYR 59 -10.301 8.054 -18.499 495 HD2 TYR 59 HD2 TYR 59 -8.980 10.360 -21.883 496 HE1 TYR 59 HE1 TYR 59 -11.683 6.653 -19.995 497 HE2 TYR 59 HE2 TYR 59 -10.378 8.958 -23.377 498 HH TYR 59 HH TYR 59 -12.701 7.422 -22.815 499 H VAL 60 H VAL 60 -6.141 9.097 -16.750 500 HA VAL 60 HA VAL 60 -5.061 11.883 -16.612 501 HB VAL 60 HB VAL 60 -5.316 9.722 -14.487 502 1HG1 VAL 60 1HG1 VAL 60 -4.369 12.562 -14.509 503 2HG1 VAL 60 2HG1 VAL 60 -3.750 11.183 -13.600 504 3HG1 VAL 60 3HG1 VAL 60 -5.238 11.981 -13.089 505 1HG2 VAL 60 1HG2 VAL 60 -7.054 12.172 -14.908 506 2HG2 VAL 60 2HG2 VAL 60 -7.309 10.868 -13.750 507 3HG2 VAL 60 3HG2 VAL 60 -7.496 10.563 -15.477 508 H LYS 61 H LYS 61 -3.738 9.856 -18.341 509 HA LYS 61 HA LYS 61 -1.597 8.951 -18.733 510 1HB LYS 61 1HB LYS 61 -1.484 11.563 -17.775 511 2HB LYS 61 2HB LYS 61 -0.298 10.718 -16.782 512 1HG LYS 61 1HG LYS 61 0.867 11.493 -18.733 513 2HG LYS 61 2HG LYS 61 0.654 9.753 -18.931 514 1HD LYS 61 1HD LYS 61 -1.530 10.372 -20.183 515 2HD LYS 61 2HD LYS 61 -0.842 11.993 -20.286 516 1HE LYS 61 1HE LYS 61 0.995 9.785 -21.043 517 2HE LYS 61 2HE LYS 61 -0.358 10.082 -22.152 518 1HZ LYS 61 1HZ LYS 61 0.187 12.447 -22.109 519 2HZ LYS 61 2HZ LYS 61 1.499 11.533 -22.682 520 3HZ LYS 61 3HZ LYS 61 1.510 12.140 -21.095 521 H ARG 62 H ARG 62 0.606 8.362 -17.270 522 HA ARG 62 HA ARG 62 -0.442 6.741 -14.969 523 1HB ARG 62 1HB ARG 62 0.621 5.824 -17.246 524 2HB ARG 62 2HB ARG 62 2.126 6.139 -16.383 525 1HG ARG 62 1HG ARG 62 0.005 4.733 -14.847 526 2HG ARG 62 2HG ARG 62 0.765 3.815 -16.147 527 1HD ARG 62 1HD ARG 62 2.672 5.324 -14.460 528 2HD ARG 62 2HD ARG 62 1.815 4.014 -13.625 529 HE ARG 62 HE ARG 62 3.561 3.687 -16.006 530 1HH1 ARG 62 1HH2 ARG 62 0.788 2.205 -14.950 531 2HH1 ARG 62 2HH2 ARG 62 1.491 0.648 -14.673 532 1HH2 ARG 62 1HH1 ARG 62 4.752 1.750 -15.090 533 2HH2 ARG 62 2HH1 ARG 62 3.735 0.390 -14.750 534 H SER 63 H SER 63 2.646 8.247 -16.121 535 HA SER 63 HA SER 63 3.887 8.341 -13.527 536 1HB SER 63 1HB SER 63 5.362 8.713 -15.304 537 2HB SER 63 2HB SER 63 4.232 9.763 -16.153 538 HG SER 63 HG SER 63 5.690 11.134 -15.300 539 H VAL 64 H VAL 64 1.818 10.736 -15.233 540 HA VAL 64 HA VAL 64 2.057 12.836 -13.266 541 HB VAL 64 HB VAL 64 -0.264 12.125 -15.107 542 1HG1 VAL 64 1HG1 VAL 64 -0.787 13.750 -13.255 543 2HG1 VAL 64 2HG1 VAL 64 -0.939 14.441 -14.871 544 3HG1 VAL 64 3HG1 VAL 64 0.481 14.800 -13.888 545 1HG2 VAL 64 1HG2 VAL 64 1.422 12.505 -16.630 546 2HG2 VAL 64 2HG2 VAL 64 2.369 13.471 -15.498 547 3HG2 VAL 64 3HG2 VAL 64 0.979 14.182 -16.317 548 H LYS 65 H LYS 65 -0.229 10.074 -13.548 549 HA LYS 65 HA LYS 65 -1.945 10.758 -11.360 550 1HB LYS 65 1HB LYS 65 -2.023 8.832 -13.154 551 2HB LYS 65 2HB LYS 65 -1.133 7.913 -11.939 552 1HG LYS 65 1HG LYS 65 -2.921 7.809 -10.510 553 2HG LYS 65 2HG LYS 65 -3.513 9.406 -10.970 554 1HD LYS 65 1HD LYS 65 -4.621 8.596 -12.867 555 2HD LYS 65 2HD LYS 65 -3.629 7.138 -12.942 556 1HE LYS 65 1HE LYS 65 -5.288 7.523 -10.484 557 2HE LYS 65 2HE LYS 65 -6.126 7.055 -11.978 558 1HZ LYS 65 1HZ LYS 65 -3.654 5.726 -11.018 559 2HZ LYS 65 2HZ LYS 65 -4.689 5.215 -12.264 560 3HZ LYS 65 3HZ LYS 65 -5.207 5.155 -10.647 561 H VAL 66 H VAL 66 1.205 9.026 -11.375 562 HA VAL 66 HA VAL 66 1.198 8.226 -8.613 563 HB VAL 66 HB VAL 66 3.521 9.048 -10.405 564 1HG1 VAL 66 1HG1 VAL 66 4.941 7.813 -8.917 565 2HG1 VAL 66 2HG1 VAL 66 3.559 7.176 -8.025 566 3HG1 VAL 66 3HG1 VAL 66 3.977 8.886 -7.901 567 1HG2 VAL 66 1HG2 VAL 66 1.857 6.582 -10.131 568 2HG2 VAL 66 2HG2 VAL 66 3.587 6.367 -10.397 569 3HG2 VAL 66 3HG2 VAL 66 2.620 7.267 -11.566 570 H LYS 67 H LYS 67 2.294 11.282 -10.163 571 HA LYS 67 HA LYS 67 3.313 12.524 -7.769 572 1HB LYS 67 1HB LYS 67 2.325 13.432 -10.450 573 2HB LYS 67 2HB LYS 67 2.516 14.653 -9.192 574 1HG LYS 67 1HG LYS 67 4.816 14.345 -9.050 575 2HG LYS 67 2HG LYS 67 4.735 12.688 -9.651 576 1HD LYS 67 1HD LYS 67 4.019 13.644 -11.889 577 2HD LYS 67 2HD LYS 67 4.413 15.240 -11.249 578 1HE LYS 67 1HE LYS 67 6.693 13.892 -10.605 579 2HE LYS 67 2HE LYS 67 6.230 13.059 -12.103 580 1HZ LYS 67 1HZ LYS 67 7.548 15.140 -12.445 581 2HZ LYS 67 2HZ LYS 67 6.236 16.012 -11.808 582 3HZ LYS 67 3HZ LYS 67 6.050 15.117 -13.240 583 H SER 68 H SER 68 0.014 12.469 -9.198 584 HA SER 68 HA SER 68 -1.225 14.318 -7.394 585 1HB SER 68 1HB SER 68 -2.186 13.234 -9.500 586 2HB SER 68 2HB SER 68 -2.496 11.802 -8.523 587 HG SER 68 HG SER 68 -4.324 13.019 -8.412 588 H LEU 69 H LEU 69 -0.585 10.800 -7.026 589 HA LEU 69 HA LEU 69 -2.073 10.400 -4.603 590 1HB LEU 69 1HB LEU 69 0.356 9.108 -5.851 591 2HB LEU 69 2HB LEU 69 -0.227 8.571 -4.274 592 HG LEU 69 HG LEU 69 -1.952 8.736 -6.762 593 1HD1 LEU 69 1HD1 LEU 69 -0.516 6.407 -5.459 594 2HD1 LEU 69 2HD1 LEU 69 -0.320 6.996 -7.109 595 3HD1 LEU 69 3HD1 LEU 69 -1.823 6.212 -6.628 596 1HD2 LEU 69 1HD2 LEU 69 -3.363 8.889 -4.870 597 2HD2 LEU 69 2HD2 LEU 69 -2.366 7.779 -3.928 598 3HD2 LEU 69 3HD2 LEU 69 -3.360 7.166 -5.250 599 H SER 70 H SER 70 1.360 11.397 -5.079 600 HA SER 70 HA SER 70 2.021 11.575 -2.278 601 1HB SER 70 1HB SER 70 3.993 12.605 -3.039 602 2HB SER 70 2HB SER 70 3.477 11.731 -4.479 603 HG SER 70 HG SER 70 3.846 13.789 -5.140 604 H ASP 71 H ASP 71 0.637 13.994 -4.550 605 HA ASP 71 HA ASP 71 0.594 16.152 -2.599 606 1HB ASP 71 1HB ASP 71 0.301 16.038 -5.265 607 2HB ASP 71 2HB ASP 71 -1.406 16.034 -4.820 608 H MET 72 H MET 72 -1.450 13.329 -2.962 609 HA MET 72 HA MET 72 -3.728 14.614 -1.542 610 1HB MET 72 1HB MET 72 -3.980 12.906 -3.421 611 2HB MET 72 2HB MET 72 -3.299 11.704 -2.323 612 1HG MET 72 1HG MET 72 -5.127 12.314 -0.680 613 2HG MET 72 2HG MET 72 -5.861 13.277 -1.963 614 1HE MET 72 1HE MET 72 -4.306 9.240 -2.456 615 2HE MET 72 2HE MET 72 -5.440 8.997 -1.130 616 3HE MET 72 3HE MET 72 -4.202 10.246 -1.004 617 H THR 73 H THR 73 -1.258 12.051 -1.068 618 HA THR 73 HA THR 73 -1.907 11.389 1.644 619 HB THR 73 HB THR 73 0.511 11.237 -0.146 620 HG1 THR 73 HG1 THR 73 -0.931 9.616 -0.367 621 1HG2 THR 73 1HG2 THR 73 1.717 11.638 1.807 622 2HG2 THR 73 2HG2 THR 73 1.586 9.879 1.782 623 3HG2 THR 73 3HG2 THR 73 0.528 10.827 2.826 624 H ALA 74 H ALA 74 0.078 14.060 0.258 625 HA ALA 74 HA ALA 74 1.268 15.048 2.653 626 1HB ALA 74 1HB ALA 74 1.796 15.942 0.437 627 2HB ALA 74 2HB ALA 74 1.210 17.261 1.450 628 3HB ALA 74 3HB ALA 74 0.146 16.533 0.248 629 H LYS 75 H LYS 75 -2.059 15.553 1.389 630 HA LYS 75 HA LYS 75 -2.712 17.072 3.889 631 1HB LYS 75 1HB LYS 75 -3.151 18.020 1.577 632 2HB LYS 75 2HB LYS 75 -4.332 16.730 1.346 633 1HG LYS 75 1HG LYS 75 -5.823 17.635 2.850 634 2HG LYS 75 2HG LYS 75 -4.549 18.343 3.845 635 1HD LYS 75 1HD LYS 75 -5.296 20.281 2.871 636 2HD LYS 75 2HD LYS 75 -4.186 19.781 1.593 637 1HE LYS 75 1HE LYS 75 -5.910 19.051 0.195 638 2HE LYS 75 2HE LYS 75 -7.025 18.776 1.550 639 1HZ LYS 75 1HZ LYS 75 -7.672 20.800 0.510 640 2HZ LYS 75 2HZ LYS 75 -6.078 21.387 0.498 641 3HZ LYS 75 3HZ LYS 75 -6.913 21.217 1.967 642 H GLU 76 H GLU 76 -2.482 13.975 3.594 643 HA GLU 76 HA GLU 76 -5.302 13.316 4.360 644 1HB GLU 76 1HB GLU 76 -4.163 12.357 2.246 645 2HB GLU 76 2HB GLU 76 -3.203 11.391 3.367 646 1HG GLU 76 1HG GLU 76 -5.016 9.976 2.928 647 2HG GLU 76 2HG GLU 76 -5.517 10.774 4.419 648 H LYS 77 H LYS 77 -2.393 13.930 5.896 649 HA LYS 77 HA LYS 77 -1.472 13.274 7.940 650 1HB LYS 77 1HB LYS 77 -4.406 12.666 8.068 651 2HB LYS 77 2HB LYS 77 -3.380 12.156 9.408 652 1HG LYS 77 1HG LYS 77 -2.650 14.398 9.823 653 2HG LYS 77 2HG LYS 77 -3.351 14.975 8.311 654 1HD LYS 77 1HD LYS 77 -5.579 14.682 9.114 655 2HD LYS 77 2HD LYS 77 -5.030 13.737 10.500 656 1HE LYS 77 1HE LYS 77 -4.061 16.571 10.142 657 2HE LYS 77 2HE LYS 77 -5.637 16.250 10.893 658 1HZ LYS 77 1HZ LYS 77 -3.021 15.108 11.716 659 2HZ LYS 77 2HZ LYS 77 -4.521 14.644 12.365 660 3HZ LYS 77 3HZ LYS 77 -3.948 16.228 12.588 661 H PHE 78 H PHE 78 -1.158 11.332 5.693 662 HA PHE 78 HA PHE 78 -1.719 8.639 6.572 663 1HB PHE 78 1HB PHE 78 0.003 9.958 4.551 664 2HB PHE 78 2HB PHE 78 0.591 8.388 5.100 665 HD1 PHE 78 HD1 PHE 78 -1.612 6.727 5.575 666 HD2 PHE 78 HD2 PHE 78 -1.251 9.783 2.584 667 HE1 PHE 78 HE1 PHE 78 -3.367 5.608 4.217 668 HE2 PHE 78 HE2 PHE 78 -2.996 8.662 1.221 669 HZ PHE 78 HZ PHE 78 -4.058 6.572 2.043 670 H SER 79 H SER 79 0.549 7.164 6.888 671 HA SER 79 HA SER 79 1.787 8.360 9.322 672 1HB SER 79 1HB SER 79 2.078 5.550 9.306 673 2HB SER 79 2HB SER 79 0.959 6.487 10.290 674 HG SER 79 HG SER 79 -0.076 4.900 8.986 675 HA PRO 80 HA PRO 80 5.780 7.706 7.633 676 1HB PRO 80 1HB PRO 80 7.137 6.041 9.318 677 2HB PRO 80 2HB PRO 80 6.792 7.742 9.684 678 1HG PRO 80 1HG PRO 80 5.371 5.289 10.601 679 2HG PRO 80 2HG PRO 80 5.811 6.743 11.513 680 1HD PRO 80 1HD PRO 80 3.323 6.330 10.595 681 2HD PRO 80 2HD PRO 80 4.027 7.956 10.706 682 H LEU 81 H LEU 81 3.785 4.846 8.059 683 HA LEU 81 HA LEU 81 5.580 3.350 6.192 684 1HB LEU 81 1HB LEU 81 3.635 2.630 8.373 685 2HB LEU 81 2HB LEU 81 3.918 1.478 7.057 686 HG LEU 81 HG LEU 81 6.373 2.687 8.194 687 1HD1 LEU 81 1HD1 LEU 81 6.367 1.500 10.249 688 2HD1 LEU 81 2HD1 LEU 81 4.931 0.580 9.804 689 3HD1 LEU 81 3HD1 LEU 81 4.796 2.297 10.179 690 1HD2 LEU 81 1HD2 LEU 81 5.397 0.015 7.221 691 2HD2 LEU 81 2HD2 LEU 81 6.859 0.096 8.204 692 3HD2 LEU 81 3HD2 LEU 81 6.779 0.963 6.670 693 H THR 82 H THR 82 3.574 5.533 5.429 694 HA THR 82 HA THR 82 2.028 3.835 3.555 695 HB THR 82 HB THR 82 0.587 6.115 4.873 696 HG1 THR 82 HG1 THR 82 0.184 4.862 6.664 697 1HG2 THR 82 1HG2 THR 82 0.055 3.670 3.346 698 2HG2 THR 82 2HG2 THR 82 -0.992 5.048 3.649 699 3HG2 THR 82 3HG2 THR 82 -0.901 3.740 4.822 700 H SER 83 H SER 83 4.378 5.750 3.249 701 HA SER 83 HA SER 83 3.098 7.425 1.134 702 1HB SER 83 1HB SER 83 3.840 8.621 3.363 703 2HB SER 83 2HB SER 83 5.479 8.354 2.776 704 HG SER 83 HG SER 83 5.017 9.578 0.985 705 H ASN 84 H ASN 84 3.911 5.076 0.551 706 HA ASN 84 HA ASN 84 6.117 5.335 -1.331 707 1HB ASN 84 1HB ASN 84 6.602 4.433 1.419 708 2HB ASN 84 2HB ASN 84 7.057 3.199 0.243 709 1HD2 ASN 84 1HD2 ASN 84 9.395 3.638 0.772 710 2HD2 ASN 84 2HD2 ASN 84 10.146 5.021 0.138 711 H LEU 85 H LEU 85 4.445 2.928 0.771 712 HA LEU 85 HA LEU 85 4.090 0.890 -1.215 713 1HB LEU 85 1HB LEU 85 3.719 0.544 1.214 714 2HB LEU 85 2HB LEU 85 2.370 1.677 1.181 715 HG LEU 85 HG LEU 85 1.275 0.162 -0.536 716 1HD1 LEU 85 1HD1 LEU 85 2.959 -2.092 0.417 717 2HD1 LEU 85 2HD1 LEU 85 3.717 -1.001 -0.743 718 3HD1 LEU 85 3HD1 LEU 85 2.218 -1.829 -1.161 719 1HD2 LEU 85 1HD2 LEU 85 0.556 -1.498 1.170 720 2HD2 LEU 85 2HD2 LEU 85 0.585 0.142 1.820 721 3HD2 LEU 85 3HD2 LEU 85 1.884 -0.985 2.207 722 H ILE 86 H ILE 86 2.287 3.960 -0.557 723 HA ILE 86 HA ILE 86 0.006 3.265 -2.213 724 HB ILE 86 HB ILE 86 1.220 5.936 -1.417 725 1HG1 ILE 86 1HG1 ILE 86 -1.074 4.248 -0.364 726 2HG1 ILE 86 2HG1 ILE 86 0.419 4.651 0.479 727 1HG2 ILE 86 1HG2 ILE 86 -0.932 6.932 -2.115 728 2HG2 ILE 86 2HG2 ILE 86 -1.490 5.354 -2.672 729 3HG2 ILE 86 3HG2 ILE 86 -0.144 6.150 -3.487 730 1HD1 ILE 86 1HD1 ILE 86 -0.241 7.066 0.391 731 2HD1 ILE 86 2HD1 ILE 86 -1.370 6.077 1.317 732 3HD1 ILE 86 3HD1 ILE 86 -1.780 6.579 -0.325 733 H ASN 87 H ASN 87 3.084 4.997 -2.912 734 HA ASN 87 HA ASN 87 2.561 5.549 -5.683 735 1HB ASN 87 1HB ASN 87 5.163 4.909 -4.238 736 2HB ASN 87 2HB ASN 87 5.067 5.620 -5.849 737 1HD2 ASN 87 1HD2 ASN 87 3.346 7.666 -5.787 738 2HD2 ASN 87 2HD2 ASN 87 3.649 8.746 -4.514 739 H LEU 88 H LEU 88 3.996 2.669 -4.090 740 HA LEU 88 HA LEU 88 4.600 1.156 -6.452 741 1HB LEU 88 1HB LEU 88 4.802 0.764 -3.718 742 2HB LEU 88 2HB LEU 88 3.537 -0.382 -4.154 743 HG LEU 88 HG LEU 88 5.192 -0.996 -6.114 744 1HD1 LEU 88 1HD1 LEU 88 7.557 -0.833 -4.826 745 2HD1 LEU 88 2HD1 LEU 88 6.806 0.646 -4.227 746 3HD1 LEU 88 3HD1 LEU 88 7.009 0.400 -5.961 747 1HD2 LEU 88 1HD2 LEU 88 4.472 -2.201 -3.812 748 2HD2 LEU 88 2HD2 LEU 88 6.187 -1.955 -3.472 749 3HD2 LEU 88 3HD2 LEU 88 5.693 -2.881 -4.889 750 H LEU 89 H LEU 89 1.577 1.385 -4.514 751 HA LEU 89 HA LEU 89 0.034 -0.539 -5.977 752 1HB LEU 89 1HB LEU 89 -0.727 2.024 -4.533 753 2HB LEU 89 2HB LEU 89 -1.918 0.878 -5.148 754 HG LEU 89 HG LEU 89 0.295 0.180 -3.196 755 1HD1 LEU 89 1HD1 LEU 89 -2.012 -0.188 -1.826 756 2HD1 LEU 89 2HD1 LEU 89 -2.492 1.163 -2.852 757 3HD1 LEU 89 3HD1 LEU 89 -1.103 1.323 -1.778 758 1HD2 LEU 89 1HD2 LEU 89 -0.187 -1.871 -4.094 759 2HD2 LEU 89 2HD2 LEU 89 -1.760 -1.353 -4.698 760 3HD2 LEU 89 3HD2 LEU 89 -1.567 -1.784 -2.998 761 H ALA 90 H ALA 90 0.707 2.925 -6.653 762 HA ALA 90 HA ALA 90 -0.801 2.643 -9.226 763 1HB ALA 90 1HB ALA 90 -1.020 4.528 -7.329 764 2HB ALA 90 2HB ALA 90 -1.232 4.908 -9.038 765 3HB ALA 90 3HB ALA 90 0.309 5.239 -8.246 766 H GLU 91 H GLU 91 2.057 1.587 -8.657 767 HA GLU 91 HA GLU 91 3.610 3.370 -10.498 768 1HB GLU 91 1HB GLU 91 4.603 2.752 -8.316 769 2HB GLU 91 2HB GLU 91 4.441 1.045 -8.723 770 1HG GLU 91 1HG GLU 91 6.703 1.627 -9.229 771 2HG GLU 91 2HG GLU 91 5.869 1.542 -10.781 772 H ASN 92 H ASN 92 2.834 -0.140 -10.045 773 HA ASN 92 HA ASN 92 3.437 -0.513 -12.963 774 1HB ASN 92 1HB ASN 92 3.647 -2.246 -10.504 775 2HB ASN 92 2HB ASN 92 3.616 -2.967 -12.113 776 1HD2 ASN 92 1HD2 ASN 92 5.956 -2.888 -10.213 777 2HD2 ASN 92 2HD2 ASN 92 7.182 -2.063 -11.047 778 H GLY 93 H GLY 93 0.749 0.373 -11.739 779 1HA GLY 93 1HA GLY 93 -1.457 -0.066 -12.449 780 2HA GLY 93 2HA GLY 93 -0.888 -1.555 -13.207 781 H ARG 94 H ARG 94 -0.569 -0.470 -9.785 782 HA ARG 94 HA ARG 94 -1.884 -3.048 -9.025 783 1HB ARG 94 1HB ARG 94 0.255 -1.303 -7.854 784 2HB ARG 94 2HB ARG 94 -0.670 -2.354 -6.782 785 1HG ARG 94 1HG ARG 94 0.694 -3.334 -9.302 786 2HG ARG 94 2HG ARG 94 1.448 -3.389 -7.709 787 1HD ARG 94 1HD ARG 94 0.325 -5.294 -7.211 788 2HD ARG 94 2HD ARG 94 -1.226 -4.503 -7.553 789 HE ARG 94 HE ARG 94 -1.158 -5.420 -9.740 790 1HH1 ARG 94 1HH2 ARG 94 0.976 -7.160 -8.038 791 2HH1 ARG 94 2HH2 ARG 94 2.113 -7.450 -9.311 792 1HH2 ARG 94 1HH1 ARG 94 0.707 -5.117 -11.458 793 2HH2 ARG 94 2HH1 ARG 94 1.962 -6.293 -11.247 794 H LEU 95 H LEU 95 -3.329 -0.394 -9.670 795 HA LEU 95 HA LEU 95 -4.541 0.105 -6.973 796 1HB LEU 95 1HB LEU 95 -3.578 1.826 -8.961 797 2HB LEU 95 2HB LEU 95 -5.326 1.864 -9.191 798 HG LEU 95 HG LEU 95 -5.454 2.183 -6.621 799 1HD1 LEU 95 1HD1 LEU 95 -2.798 3.497 -6.786 800 2HD1 LEU 95 2HD1 LEU 95 -2.773 1.735 -6.722 801 3HD1 LEU 95 3HD1 LEU 95 -3.555 2.655 -5.435 802 1HD2 LEU 95 1HD2 LEU 95 -4.323 4.324 -8.451 803 2HD2 LEU 95 2HD2 LEU 95 -5.056 4.645 -6.879 804 3HD2 LEU 95 3HD2 LEU 95 -6.029 3.963 -8.184 805 H THR 96 H THR 96 -5.198 -2.280 -8.150 806 HA THR 96 HA THR 96 -8.015 -1.863 -9.100 807 HB THR 96 HB THR 96 -7.506 -4.051 -10.398 808 HG1 THR 96 HG1 THR 96 -5.374 -4.503 -10.703 809 1HG2 THR 96 1HG2 THR 96 -6.100 -1.465 -11.119 810 2HG2 THR 96 2HG2 THR 96 -7.754 -1.909 -11.537 811 3HG2 THR 96 3HG2 THR 96 -6.400 -2.791 -12.243 812 H ASN 97 H ASN 97 -5.739 -4.407 -7.878 813 HA ASN 97 HA ASN 97 -7.933 -5.479 -6.158 814 1HB ASN 97 1HB ASN 97 -5.177 -6.481 -6.964 815 2HB ASN 97 2HB ASN 97 -6.248 -7.349 -5.861 816 1HD2 ASN 97 1HD2 ASN 97 -5.802 -6.390 -9.267 817 2HD2 ASN 97 2HD2 ASN 97 -7.041 -7.378 -9.875 818 H THR 98 H THR 98 -6.105 -2.893 -5.738 819 HA THR 98 HA THR 98 -4.256 -3.135 -3.698 820 HB THR 98 HB THR 98 -6.180 -0.949 -3.285 821 HG1 THR 98 HG1 THR 98 -6.121 -0.159 -5.307 822 1HG2 THR 98 1HG2 THR 98 -4.265 0.264 -3.065 823 2HG2 THR 98 2HG2 THR 98 -3.528 -0.476 -4.484 824 3HG2 THR 98 3HG2 THR 98 -3.505 -1.323 -2.938 825 HA PRO 99 HA PRO 99 -7.695 -3.036 -0.325 826 1HB PRO 99 1HB PRO 99 -10.160 -4.011 -1.059 827 2HB PRO 99 2HB PRO 99 -9.743 -2.284 -1.068 828 1HG PRO 99 1HG PRO 99 -9.771 -4.231 -3.330 829 2HG PRO 99 2HG PRO 99 -10.364 -2.562 -3.274 830 1HD PRO 99 1HD PRO 99 -8.024 -3.168 -4.398 831 2HD PRO 99 2HD PRO 99 -8.240 -1.657 -3.496 832 H ALA 100 H ALA 100 -7.866 -5.580 -2.857 833 HA ALA 100 HA ALA 100 -8.329 -7.800 -1.061 834 1HB ALA 100 1HB ALA 100 -7.002 -7.525 -3.776 835 2HB ALA 100 2HB ALA 100 -8.612 -8.150 -3.419 836 3HB ALA 100 3HB ALA 100 -7.184 -9.090 -2.983 837 H VAL 101 H VAL 101 -5.317 -6.209 -2.212 838 HA VAL 101 HA VAL 101 -3.490 -8.023 -0.877 839 HB VAL 101 HB VAL 101 -3.177 -5.083 -1.611 840 1HG1 VAL 101 1HG1 VAL 101 -0.723 -5.828 -1.792 841 2HG1 VAL 101 2HG1 VAL 101 -1.206 -7.254 -0.875 842 3HG1 VAL 101 3HG1 VAL 101 -1.376 -5.649 -0.163 843 1HG2 VAL 101 1HG2 VAL 101 -2.924 -7.655 -3.147 844 2HG2 VAL 101 2HG2 VAL 101 -1.905 -6.282 -3.579 845 3HG2 VAL 101 3HG2 VAL 101 -3.661 -6.132 -3.644 846 H ILE 102 H ILE 102 -5.174 -5.037 0.188 847 HA ILE 102 HA ILE 102 -3.761 -4.687 2.668 848 HB ILE 102 HB ILE 102 -6.621 -4.020 1.864 849 1HG1 ILE 102 1HG1 ILE 102 -4.139 -2.280 2.022 850 2HG1 ILE 102 2HG1 ILE 102 -4.765 -2.974 0.529 851 1HG2 ILE 102 1HG2 ILE 102 -4.979 -2.986 4.201 852 2HG2 ILE 102 2HG2 ILE 102 -6.373 -4.057 4.329 853 3HG2 ILE 102 3HG2 ILE 102 -6.580 -2.409 3.736 854 1HD1 ILE 102 1HD1 ILE 102 -6.981 -1.829 1.085 855 2HD1 ILE 102 2HD1 ILE 102 -5.654 -0.760 0.632 856 3HD1 ILE 102 3HD1 ILE 102 -6.099 -0.945 2.329 857 H SER 103 H SER 103 -6.594 -6.745 1.834 858 HA SER 103 HA SER 103 -7.301 -7.558 4.486 859 1HB SER 103 1HB SER 103 -7.481 -8.805 1.749 860 2HB SER 103 2HB SER 103 -7.927 -9.763 3.158 861 HG SER 103 HG SER 103 -9.708 -8.608 2.298 862 H ALA 104 H ALA 104 -4.819 -8.891 2.257 863 HA ALA 104 HA ALA 104 -3.983 -11.080 3.930 864 1HB ALA 104 1HB ALA 104 -3.062 -11.192 1.802 865 2HB ALA 104 2HB ALA 104 -1.701 -10.463 2.653 866 3HB ALA 104 3HB ALA 104 -2.797 -9.450 1.713 867 H PHE 105 H PHE 105 -3.138 -7.598 3.996 868 HA PHE 105 HA PHE 105 -0.886 -7.682 5.743 869 1HB PHE 105 1HB PHE 105 -1.927 -5.683 4.528 870 2HB PHE 105 2HB PHE 105 -3.120 -5.624 5.825 871 HD1 PHE 105 HD1 PHE 105 -2.109 -5.637 8.286 872 HD2 PHE 105 HD2 PHE 105 0.052 -4.472 4.771 873 HE1 PHE 105 HE1 PHE 105 -0.516 -4.370 9.682 874 HE2 PHE 105 HE2 PHE 105 1.649 -3.210 6.169 875 HZ PHE 105 HZ PHE 105 1.370 -3.171 8.626 876 H SER 106 H SER 106 -4.400 -7.643 6.537 877 HA SER 106 HA SER 106 -4.004 -7.583 9.414 878 1HB SER 106 1HB SER 106 -6.133 -7.170 7.910 879 2HB SER 106 2HB SER 106 -6.371 -8.905 8.091 880 HG SER 106 HG SER 106 -7.375 -7.517 9.726 881 H THR 107 H THR 107 -4.444 -10.280 7.078 882 HA THR 107 HA THR 107 -4.363 -12.347 9.139 883 HB THR 107 HB THR 107 -3.523 -12.825 6.289 884 HG1 THR 107 HG1 THR 107 -6.186 -12.214 7.122 885 1HG2 THR 107 1HG2 THR 107 -5.106 -14.265 8.407 886 2HG2 THR 107 2HG2 THR 107 -3.678 -14.813 7.531 887 3HG2 THR 107 3HG2 THR 107 -5.238 -14.734 6.711 888 H MET 108 H MET 108 -1.875 -10.763 7.088 889 HA MET 108 HA MET 108 0.266 -12.573 7.854 890 1HB MET 108 1HB MET 108 0.138 -9.762 6.735 891 2HB MET 108 2HB MET 108 1.674 -10.556 7.082 892 1HG MET 108 1HG MET 108 1.394 -12.140 5.413 893 2HG MET 108 2HG MET 108 -0.365 -12.062 5.494 894 1HE MET 108 1HE MET 108 0.864 -12.511 3.234 895 2HE MET 108 2HE MET 108 1.664 -11.286 2.253 896 3HE MET 108 3HE MET 108 -0.080 -11.497 2.135 897 H MET 109 H MET 109 -1.054 -9.552 9.279 898 HA MET 109 HA MET 109 1.036 -9.039 11.184 899 1HB MET 109 1HB MET 109 -0.910 -7.541 10.687 900 2HB MET 109 2HB MET 109 -1.976 -8.683 11.506 901 1HG MET 109 1HG MET 109 -0.391 -8.417 13.530 902 2HG MET 109 2HG MET 109 0.222 -6.990 12.693 903 1HE MET 109 1HE MET 109 -2.541 -8.934 14.076 904 2HE MET 109 2HE MET 109 -3.804 -7.815 14.582 905 3HE MET 109 3HE MET 109 -2.285 -7.878 15.472 906 H SER 110 H SER 110 -1.814 -11.261 11.390 907 HA SER 110 HA SER 110 -1.471 -12.067 14.116 908 1HB SER 110 1HB SER 110 -2.439 -13.520 11.638 909 2HB SER 110 2HB SER 110 -2.465 -14.283 13.224 910 HG SER 110 HG SER 110 -4.424 -13.262 12.892 911 H VAL 111 H VAL 111 0.375 -13.057 11.219 912 HA VAL 111 HA VAL 111 1.796 -15.200 12.640 913 HB VAL 111 HB VAL 111 2.440 -13.756 10.043 914 1HG1 VAL 111 1HG1 VAL 111 3.565 -16.021 9.579 915 2HG1 VAL 111 2HG1 VAL 111 3.435 -16.313 11.314 916 3HG1 VAL 111 3HG1 VAL 111 4.384 -14.952 10.716 917 1HG2 VAL 111 1HG2 VAL 111 1.372 -15.883 9.080 918 2HG2 VAL 111 2HG2 VAL 111 0.266 -14.720 9.811 919 3HG2 VAL 111 3HG2 VAL 111 0.734 -16.170 10.699 920 H HIS 112 H HIS 112 2.112 -11.757 12.779 921 HA HIS 112 HA HIS 112 5.018 -11.831 13.238 922 1HB HIS 112 1HB HIS 112 4.884 -9.617 12.688 923 2HB HIS 112 2HB HIS 112 3.275 -10.026 12.117 924 HD1 HIS 112 HD1 HIS 112 1.392 -9.837 14.273 925 HD2 HIS 112 HD2 HIS 112 4.818 -7.540 14.374 926 HE1 HIS 112 HE1 HIS 112 0.940 -7.985 15.927 927 H ARG 113 H ARG 113 2.009 -11.889 15.120 928 HA ARG 113 HA ARG 113 3.493 -11.213 17.614 929 1HB ARG 113 1HB ARG 113 0.965 -10.643 16.662 930 2HB ARG 113 2HB ARG 113 0.646 -11.976 17.770 931 1HG ARG 113 1HG ARG 113 1.734 -10.808 19.593 932 2HG ARG 113 2HG ARG 113 2.275 -9.528 18.505 933 1HD ARG 113 1HD ARG 113 -0.040 -8.847 18.087 934 2HD ARG 113 2HD ARG 113 -0.637 -10.188 19.085 935 HE ARG 113 HE ARG 113 0.976 -7.897 20.134 936 1HH1 ARG 113 1HH2 ARG 113 0.376 -10.940 21.170 937 2HH1 ARG 113 2HH2 ARG 113 -0.572 -10.517 22.556 938 1HH2 ARG 113 1HH1 ARG 113 -0.897 -7.186 21.646 939 2HH2 ARG 113 2HH1 ARG 113 -1.293 -8.391 22.826 940 H GLY 114 H GLY 114 2.058 -14.048 15.972 941 1HA GLY 114 1HA GLY 114 1.734 -15.798 18.144 942 2HA GLY 114 2HA GLY 114 2.175 -16.315 16.520 943 H GLU 115 H GLU 115 4.707 -15.634 16.064 944 HA GLU 115 HA GLU 115 6.326 -16.185 18.504 945 1HB GLU 115 1HB GLU 115 5.801 -17.966 16.175 946 2HB GLU 115 2HB GLU 115 7.457 -17.930 16.784 947 1HG GLU 115 1HG GLU 115 6.392 -18.237 19.123 948 2HG GLU 115 2HG GLU 115 4.938 -18.715 18.247 949 H VAL 116 H VAL 116 7.058 -13.905 18.040 950 HA VAL 116 HA VAL 116 9.179 -13.888 15.931 951 HB VAL 116 HB VAL 116 7.068 -11.763 16.454 952 1HG1 VAL 116 1HG1 VAL 116 8.192 -10.928 14.203 953 2HG1 VAL 116 2HG1 VAL 116 9.582 -11.823 14.819 954 3HG1 VAL 116 3HG1 VAL 116 8.895 -10.500 15.763 955 1HG2 VAL 116 1HG2 VAL 116 5.906 -13.230 15.121 956 2HG2 VAL 116 2HG2 VAL 116 7.372 -13.975 14.485 957 3HG2 VAL 116 3HG2 VAL 116 6.819 -12.428 13.843 958 HA PRO 117 HA PRO 117 10.383 -12.144 20.132 959 1HB PRO 117 1HB PRO 117 12.404 -13.903 20.691 960 2HB PRO 117 2HB PRO 117 10.717 -14.189 21.163 961 1HG PRO 117 1HG PRO 117 12.260 -15.309 18.880 962 2HG PRO 117 2HG PRO 117 11.061 -16.088 19.924 963 1HD PRO 117 1HD PRO 117 10.517 -15.195 17.403 964 2HD PRO 117 2HD PRO 117 9.296 -15.323 18.688 965 H CYS 118 H CYS 118 12.720 -11.315 20.679 966 HA CYS 118 HA CYS 118 14.406 -11.062 18.220 967 1HB CYS 118 1HB CYS 118 13.124 -8.928 19.928 968 2HB CYS 118 2HB CYS 118 14.574 -8.580 18.986 969 HG CYS 118 HG CYS 118 12.099 -9.766 17.510 970 H THR 119 H THR 119 14.315 -9.881 21.648 971 HA THR 119 HA THR 119 17.035 -11.084 22.015 972 HB THR 119 HB THR 119 17.217 -8.676 21.536 973 HG1 THR 119 HG1 THR 119 18.438 -8.213 23.280 974 1HG2 THR 119 1HG2 THR 119 15.231 -8.436 23.808 975 2HG2 THR 119 2HG2 THR 119 15.036 -7.878 22.145 976 3HG2 THR 119 3HG2 THR 119 16.186 -7.077 23.215 977 H VAL 120 H VAL 120 17.551 -11.427 24.390 978 HA VAL 120 HA VAL 120 15.042 -11.819 25.992 979 HB VAL 120 HB VAL 120 17.659 -13.365 25.951 980 1HG1 VAL 120 1HG1 VAL 120 16.497 -13.319 28.169 981 2HG1 VAL 120 2HG1 VAL 120 16.544 -14.929 27.451 982 3HG1 VAL 120 3HG1 VAL 120 15.059 -13.980 27.389 983 1HG2 VAL 120 1HG2 VAL 120 15.814 -15.151 25.188 984 2HG2 VAL 120 2HG2 VAL 120 16.624 -14.106 24.021 985 3HG2 VAL 120 3HG2 VAL 120 15.011 -13.694 24.604 986 1H GLN 1 1H GLN 1 14.241 -24.578 1.037 987 2H GLN 1 2H GLN 1 13.562 -23.099 1.523 988 3H GLN 1 3H GLN 1 15.162 -23.156 0.954 989 HA GLN 1 HA GLN 1 14.248 -23.957 -1.238 990 1HB GLN 1 1HB GLN 1 11.807 -23.383 0.428 991 2HB GLN 1 2HB GLN 1 11.726 -23.211 -1.326 992 1HG GLN 1 1HG GLN 1 11.155 -25.442 -1.141 993 2HG GLN 1 2HG GLN 1 12.909 -25.601 -1.248 994 1HE2 GLN 1 1HE2 GLN 1 13.817 -26.874 0.412 995 2HE2 GLN 1 2HE2 GLN 1 13.116 -27.096 1.942 996 H LYS 2 H LYS 2 14.540 -22.283 -2.769 997 HA LYS 2 HA LYS 2 13.904 -19.488 -1.942 998 1HB LYS 2 1HB LYS 2 16.209 -18.817 -2.610 999 2HB LYS 2 2HB LYS 2 16.221 -19.949 -1.259 1000 1HG LYS 2 1HG LYS 2 16.660 -21.813 -2.821 1001 2HG LYS 2 2HG LYS 2 16.656 -20.679 -4.173 1002 1HD LYS 2 1HD LYS 2 18.551 -19.460 -3.142 1003 2HD LYS 2 2HD LYS 2 18.572 -20.628 -1.821 1004 1HE LYS 2 1HE LYS 2 18.865 -21.449 -4.728 1005 2HE LYS 2 2HE LYS 2 20.250 -21.109 -3.672 1006 1HZ LYS 2 1HZ LYS 2 18.112 -23.123 -3.242 1007 2HZ LYS 2 2HZ LYS 2 19.229 -22.674 -2.043 1008 3HZ LYS 2 3HZ LYS 2 19.766 -23.417 -3.473 1009 H THR 3 H THR 3 12.396 -20.902 -3.837 1010 HA THR 3 HA THR 3 13.329 -19.688 -6.420 1011 HB THR 3 HB THR 3 11.748 -22.252 -6.145 1012 HG1 THR 3 HG1 THR 3 13.569 -22.810 -5.131 1013 1HG2 THR 3 1HG2 THR 3 12.653 -22.675 -8.382 1014 2HG2 THR 3 2HG2 THR 3 13.589 -21.183 -8.303 1015 3HG2 THR 3 3HG2 THR 3 11.827 -21.118 -8.348 1016 H GLY 4 H GLY 4 11.522 -19.020 -7.864 1017 1HA GLY 4 1HA GLY 4 8.891 -19.161 -7.847 1018 2HA GLY 4 2HA GLY 4 9.082 -18.327 -6.305 1019 H THR 5 H THR 5 9.231 -16.083 -6.360 1020 HA THR 5 HA THR 5 9.683 -14.832 -9.054 1021 HB THR 5 HB THR 5 8.230 -13.006 -8.056 1022 HG1 THR 5 HG1 THR 5 7.264 -13.389 -6.141 1023 1HG2 THR 5 1HG2 THR 5 6.236 -14.111 -8.611 1024 2HG2 THR 5 2HG2 THR 5 6.792 -15.646 -7.946 1025 3HG2 THR 5 3HG2 THR 5 7.457 -15.052 -9.467 1026 H ALA 6 H ALA 6 10.382 -12.347 -8.628 1027 HA ALA 6 HA ALA 6 12.721 -12.480 -6.761 1028 1HB ALA 6 1HB ALA 6 12.044 -10.693 -9.120 1029 2HB ALA 6 2HB ALA 6 13.203 -12.023 -9.109 1030 3HB ALA 6 3HB ALA 6 13.525 -10.566 -8.168 1031 H GLU 7 H GLU 7 10.008 -10.266 -7.684 1032 HA GLU 7 HA GLU 7 8.981 -8.537 -6.464 1033 1HB GLU 7 1HB GLU 7 10.255 -9.959 -4.094 1034 2HB GLU 7 2HB GLU 7 8.855 -8.888 -4.055 1035 1HG GLU 7 1HG GLU 7 8.094 -10.756 -5.937 1036 2HG GLU 7 2HG GLU 7 9.014 -11.734 -4.796 1037 H VAL 8 H VAL 8 11.099 -7.564 -7.694 1038 HA VAL 8 HA VAL 8 13.376 -6.682 -6.236 1039 HB VAL 8 HB VAL 8 11.805 -5.260 -8.421 1040 1HG1 VAL 8 1HG1 VAL 8 13.221 -3.555 -7.835 1041 2HG1 VAL 8 2HG1 VAL 8 14.379 -4.490 -8.782 1042 3HG1 VAL 8 3HG1 VAL 8 14.354 -4.639 -7.025 1043 1HG2 VAL 8 1HG2 VAL 8 12.815 -6.653 -9.911 1044 2HG2 VAL 8 2HG2 VAL 8 13.088 -7.704 -8.522 1045 3HG2 VAL 8 3HG2 VAL 8 14.356 -6.601 -9.055 1046 H SER 9 H SER 9 10.104 -5.217 -6.414 1047 HA SER 9 HA SER 9 10.712 -2.852 -4.871 1048 1HB SER 9 1HB SER 9 8.313 -2.666 -4.644 1049 2HB SER 9 2HB SER 9 8.609 -3.372 -6.229 1050 HG SER 9 HG SER 9 7.945 -5.303 -5.502 1051 H SER 10 H SER 10 9.885 -6.208 -3.912 1052 HA SER 10 HA SER 10 9.509 -5.645 -1.092 1053 1HB SER 10 1HB SER 10 8.744 -7.731 -2.114 1054 2HB SER 10 2HB SER 10 10.388 -8.135 -2.603 1055 HG SER 10 HG SER 10 10.026 -9.221 -0.722 1056 H ILE 11 H ILE 11 12.381 -6.998 -2.840 1057 HA ILE 11 HA ILE 11 14.139 -6.942 -0.577 1058 HB ILE 11 HB ILE 11 14.608 -8.102 -2.725 1059 1HG1 ILE 11 1HG1 ILE 11 16.763 -6.041 -2.233 1060 2HG1 ILE 11 2HG1 ILE 11 16.433 -7.344 -1.092 1061 1HG2 ILE 11 1HG2 ILE 11 14.899 -5.271 -3.751 1062 2HG2 ILE 11 2HG2 ILE 11 13.827 -6.532 -4.349 1063 3HG2 ILE 11 3HG2 ILE 11 15.564 -6.669 -4.592 1064 1HD1 ILE 11 1HD1 ILE 11 18.189 -7.600 -3.131 1065 2HD1 ILE 11 2HD1 ILE 11 16.719 -8.139 -3.943 1066 3HD1 ILE 11 3HD1 ILE 11 17.272 -8.961 -2.484 1067 H LEU 12 H LEU 12 13.173 -4.314 -2.802 1068 HA LEU 12 HA LEU 12 15.193 -2.405 -2.093 1069 1HB LEU 12 1HB LEU 12 13.205 -2.396 -3.855 1070 2HB LEU 12 2HB LEU 12 12.341 -1.572 -2.557 1071 HG LEU 12 HG LEU 12 15.099 -0.662 -3.343 1072 1HD1 LEU 12 1HD1 LEU 12 13.392 -0.843 -5.331 1073 2HD1 LEU 12 2HD1 LEU 12 14.310 0.648 -5.111 1074 3HD1 LEU 12 3HD1 LEU 12 12.635 0.553 -4.564 1075 1HD2 LEU 12 1HD2 LEU 12 14.359 0.425 -1.398 1076 2HD2 LEU 12 2HD2 LEU 12 12.682 0.465 -1.944 1077 3HD2 LEU 12 3HD2 LEU 12 13.870 1.551 -2.665 1078 H GLU 13 H GLU 13 12.132 -3.303 -0.433 1079 HA GLU 13 HA GLU 13 11.993 -1.172 1.454 1080 1HB GLU 13 1HB GLU 13 11.099 -4.011 1.318 1081 2HB GLU 13 2HB GLU 13 11.137 -3.289 2.926 1082 1HG GLU 13 1HG GLU 13 9.008 -2.679 2.236 1083 2HG GLU 13 2HG GLU 13 9.935 -1.275 1.713 1084 H GLU 14 H GLU 14 14.026 -4.128 1.526 1085 HA GLU 14 HA GLU 14 15.001 -3.919 4.204 1086 1HB GLU 14 1HB GLU 14 15.980 -5.066 1.621 1087 2HB GLU 14 2HB GLU 14 17.154 -4.913 2.927 1088 1HG GLU 14 1HG GLU 14 14.523 -6.029 3.715 1089 2HG GLU 14 2HG GLU 14 15.486 -7.048 2.643 1090 H ARG 15 H ARG 15 16.093 -2.234 1.230 1091 HA ARG 15 HA ARG 15 18.454 -1.017 2.312 1092 1HB ARG 15 1HB ARG 15 17.697 -1.073 -0.104 1093 2HB ARG 15 2HB ARG 15 16.529 0.187 0.295 1094 1HG ARG 15 1HG ARG 15 18.773 1.291 1.340 1095 2HG ARG 15 2HG ARG 15 19.479 0.363 0.016 1096 1HD ARG 15 1HD ARG 15 18.159 1.502 -1.623 1097 2HD ARG 15 2HD ARG 15 17.103 2.207 -0.382 1098 HE ARG 15 HE ARG 15 19.744 3.194 -1.118 1099 1HH1 ARG 15 1HH1 ARG 15 17.012 4.135 0.391 1100 2HH1 ARG 15 2HH1 ARG 15 17.761 4.906 1.750 1101 1HH2 ARG 15 1HH2 ARG 15 20.911 3.623 1.079 1102 2HH2 ARG 15 2HH2 ARG 15 19.968 4.615 2.139 1103 H ILE 16 H ILE 16 15.016 -0.008 2.548 1104 HA ILE 16 HA ILE 16 15.796 2.508 3.901 1105 HB ILE 16 HB ILE 16 13.388 2.966 3.903 1106 1HG1 ILE 16 1HG1 ILE 16 12.873 0.309 2.580 1107 2HG1 ILE 16 2HG1 ILE 16 12.839 0.439 4.336 1108 1HG2 ILE 16 1HG2 ILE 16 13.809 1.670 1.243 1109 2HG2 ILE 16 2HG2 ILE 16 14.933 2.933 1.744 1110 3HG2 ILE 16 3HG2 ILE 16 13.210 3.284 1.622 1111 1HD1 ILE 16 1HD1 ILE 16 10.959 1.541 2.324 1112 2HD1 ILE 16 2HD1 ILE 16 11.328 2.589 3.695 1113 3HD1 ILE 16 3HD1 ILE 16 10.648 0.983 3.969 1114 H LEU 17 H LEU 17 14.598 -0.715 4.874 1115 HA LEU 17 HA LEU 17 15.072 0.083 7.703 1116 1HB LEU 17 1HB LEU 17 12.493 -0.561 6.375 1117 2HB LEU 17 2HB LEU 17 12.751 -1.301 7.956 1118 HG LEU 17 HG LEU 17 13.158 1.653 7.426 1119 1HD1 LEU 17 1HD1 LEU 17 10.964 2.088 8.091 1120 2HD1 LEU 17 2HD1 LEU 17 10.792 0.530 8.899 1121 3HD1 LEU 17 3HD1 LEU 17 10.750 0.619 7.139 1122 1HD2 LEU 17 1HD2 LEU 17 14.337 0.961 9.380 1123 2HD2 LEU 17 2HD2 LEU 17 13.025 -0.103 9.886 1124 3HD2 LEU 17 3HD2 LEU 17 12.825 1.647 9.974 1125 H GLY 18 H GLY 18 13.576 -2.748 6.007 1126 1HA GLY 18 1HA GLY 18 14.423 -4.951 5.819 1127 2HA GLY 18 2HA GLY 18 15.900 -4.421 6.628 1128 H ALA 19 H ALA 19 15.509 -6.587 7.824 1129 HA ALA 19 HA ALA 19 13.744 -6.064 10.195 1130 1HB ALA 19 1HB ALA 19 13.350 -8.586 10.090 1131 2HB ALA 19 2HB ALA 19 14.118 -8.550 8.503 1132 3HB ALA 19 3HB ALA 19 12.625 -7.653 8.780 1133 H ASP 20 H ASP 20 14.546 -7.082 12.209 1134 HA ASP 20 HA ASP 20 17.455 -7.821 12.070 1135 1HB ASP 20 1HB ASP 20 16.432 -5.599 13.166 1136 2HB ASP 20 2HB ASP 20 16.184 -6.690 14.530 1137 H THR 21 H THR 21 15.474 -9.865 11.800 1138 HA THR 21 HA THR 21 15.496 -11.141 14.519 1139 HB THR 21 HB THR 21 13.537 -12.439 13.430 1140 HG1 THR 21 HG1 THR 21 12.650 -11.474 11.648 1141 1HG2 THR 21 1HG2 THR 21 13.345 -10.579 15.123 1142 2HG2 THR 21 2HG2 THR 21 11.965 -10.712 14.033 1143 3HG2 THR 21 3HG2 THR 21 13.174 -9.453 13.776 1144 H SER 22 H SER 22 16.594 -13.124 14.674 1145 HA SER 22 HA SER 22 17.238 -14.572 12.136 1146 1HB SER 22 1HB SER 22 19.174 -13.245 12.561 1147 2HB SER 22 2HB SER 22 19.088 -13.541 14.295 1148 HG SER 22 HG SER 22 20.617 -14.920 13.560 1149 H VAL 23 H VAL 23 15.591 -16.160 12.913 1150 HA VAL 23 HA VAL 23 16.733 -17.993 14.968 1151 HB VAL 23 HB VAL 23 15.198 -16.426 16.101 1152 1HG1 VAL 23 1HG1 VAL 23 13.125 -17.467 14.144 1153 2HG1 VAL 23 2HG1 VAL 23 13.820 -15.847 14.130 1154 3HG1 VAL 23 3HG1 VAL 23 12.816 -16.363 15.484 1155 1HG2 VAL 23 1HG2 VAL 23 15.239 -19.086 16.423 1156 2HG2 VAL 23 2HG2 VAL 23 13.559 -18.914 15.918 1157 3HG2 VAL 23 3HG2 VAL 23 14.143 -18.055 17.344 1158 H ASP 24 H ASP 24 16.806 -18.511 12.209 1159 HA ASP 24 HA ASP 24 14.539 -20.437 11.797 1160 1HB ASP 24 1HB ASP 24 16.186 -18.671 9.996 1161 2HB ASP 24 2HB ASP 24 15.380 -20.095 9.337 1162 H LEU 25 H LEU 25 15.264 -22.403 10.393 1163 HA LEU 25 HA LEU 25 18.032 -23.235 11.207 1164 1HB LEU 25 1HB LEU 25 15.696 -24.275 12.050 1165 2HB LEU 25 2HB LEU 25 15.889 -25.208 10.566 1166 HG LEU 25 HG LEU 25 18.302 -25.646 11.386 1167 1HD1 LEU 25 1HD1 LEU 25 18.418 -25.620 13.924 1168 2HD1 LEU 25 2HD1 LEU 25 16.964 -24.621 13.901 1169 3HD1 LEU 25 3HD1 LEU 25 18.451 -24.030 13.159 1170 1HD2 LEU 25 1HD2 LEU 25 17.582 -27.600 12.595 1171 2HD2 LEU 25 2HD2 LEU 25 16.353 -27.276 11.371 1172 3HD2 LEU 25 3HD2 LEU 25 16.065 -26.828 13.052 Start of MODEL 25 1 1H PHE 1 1H PHE 1 -26.223 -3.411 12.167 2 2H PHE 1 2H PHE 1 -27.390 -4.478 12.786 3 3H PHE 1 3H PHE 1 -27.869 -3.134 11.866 4 HA PHE 1 HA PHE 1 -28.012 -5.117 10.506 5 1HB PHE 1 1HB PHE 1 -27.068 -2.730 9.854 6 2HB PHE 1 2HB PHE 1 -25.562 -3.620 9.623 7 HD1 PHE 1 HD1 PHE 1 -25.168 -4.686 7.581 8 HD2 PHE 1 HD2 PHE 1 -29.206 -3.811 8.756 9 HE1 PHE 1 HE1 PHE 1 -25.983 -5.500 5.385 10 HE2 PHE 1 HE2 PHE 1 -30.022 -4.625 6.559 11 HZ PHE 1 HZ PHE 1 -28.410 -5.469 4.874 12 H ALA 2 H ALA 2 -26.469 -6.656 9.165 13 HA ALA 2 HA ALA 2 -24.370 -7.731 11.024 14 1HB ALA 2 1HB ALA 2 -25.708 -9.391 8.927 15 2HB ALA 2 2HB ALA 2 -26.668 -8.917 10.329 16 3HB ALA 2 3HB ALA 2 -25.185 -9.847 10.549 17 H LYS 3 H LYS 3 -22.316 -8.231 10.093 18 HA LYS 3 HA LYS 3 -22.003 -7.513 7.192 19 1HB LYS 3 1HB LYS 3 -20.241 -7.136 9.630 20 2HB LYS 3 2HB LYS 3 -19.656 -6.893 7.983 21 1HG LYS 3 1HG LYS 3 -22.176 -5.523 8.879 22 2HG LYS 3 2HG LYS 3 -20.609 -4.845 9.323 23 1HD LYS 3 1HD LYS 3 -20.009 -5.075 6.824 24 2HD LYS 3 2HD LYS 3 -21.740 -5.291 6.560 25 1HE LYS 3 1HE LYS 3 -22.004 -3.111 7.969 26 2HE LYS 3 2HE LYS 3 -20.287 -2.860 7.599 27 1HZ LYS 3 1HZ LYS 3 -22.358 -3.497 5.567 28 2HZ LYS 3 2HZ LYS 3 -20.733 -3.097 5.275 29 3HZ LYS 3 3HZ LYS 3 -21.801 -1.928 5.891 30 H LEU 4 H LEU 4 -20.795 -8.992 5.896 31 HA LEU 4 HA LEU 4 -19.838 -11.473 7.296 32 1HB LEU 4 1HB LEU 4 -21.203 -11.037 4.621 33 2HB LEU 4 2HB LEU 4 -20.521 -12.583 5.127 34 HG LEU 4 HG LEU 4 -22.396 -11.208 7.004 35 1HD1 LEU 4 1HD1 LEU 4 -24.158 -12.716 5.649 36 2HD1 LEU 4 2HD1 LEU 4 -23.097 -12.276 4.311 37 3HD1 LEU 4 3HD1 LEU 4 -23.886 -11.017 5.261 38 1HD2 LEU 4 1HD2 LEU 4 -21.570 -13.221 7.867 39 2HD2 LEU 4 2HD2 LEU 4 -21.551 -14.004 6.287 40 3HD2 LEU 4 3HD2 LEU 4 -23.081 -13.744 7.124 41 H VAL 5 H VAL 5 -17.684 -12.044 6.849 42 HA VAL 5 HA VAL 5 -16.322 -10.558 4.621 43 HB VAL 5 HB VAL 5 -15.262 -11.475 7.320 44 1HG1 VAL 5 1HG1 VAL 5 -13.180 -10.736 6.691 45 2HG1 VAL 5 2HG1 VAL 5 -13.826 -9.496 5.618 46 3HG1 VAL 5 3HG1 VAL 5 -13.773 -11.176 5.090 47 1HG2 VAL 5 1HG2 VAL 5 -15.074 -8.917 7.616 48 2HG2 VAL 5 2HG2 VAL 5 -16.690 -9.616 7.728 49 3HG2 VAL 5 3HG2 VAL 5 -16.183 -8.800 6.249 50 H ARG 6 H ARG 6 -16.680 -12.393 3.128 51 HA ARG 6 HA ARG 6 -14.824 -14.670 3.672 52 1HB ARG 6 1HB ARG 6 -17.469 -14.890 4.152 53 2HB ARG 6 2HB ARG 6 -17.471 -15.255 2.426 54 1HG ARG 6 1HG ARG 6 -16.320 -17.219 2.698 55 2HG ARG 6 2HG ARG 6 -15.379 -16.600 4.056 56 1HD ARG 6 1HD ARG 6 -16.924 -17.292 5.603 57 2HD ARG 6 2HD ARG 6 -18.297 -16.894 4.550 58 HE ARG 6 HE ARG 6 -16.670 -19.387 4.374 59 1HH1 ARG 6 1HH2 ARG 6 -19.752 -18.815 4.840 60 2HH1 ARG 6 2HH2 ARG 6 -20.373 -19.450 3.353 61 1HH2 ARG 6 1HH1 ARG 6 -17.269 -19.604 1.815 62 2HH2 ARG 6 2HH1 ARG 6 -18.968 -19.897 1.641 63 HA PRO 7 HA PRO 7 -14.469 -12.975 -0.623 64 1HB PRO 7 1HB PRO 7 -11.735 -13.031 -0.733 65 2HB PRO 7 2HB PRO 7 -12.646 -11.661 -0.068 66 1HG PRO 7 1HG PRO 7 -11.238 -13.864 1.350 67 2HG PRO 7 2HG PRO 7 -11.362 -12.148 1.768 68 1HD PRO 7 1HD PRO 7 -12.843 -14.110 2.960 69 2HD PRO 7 2HD PRO 7 -13.371 -12.418 2.825 70 HA PRO 8 HA PRO 8 -13.940 -17.058 -2.250 71 1HB PRO 8 1HB PRO 8 -13.461 -16.494 -4.884 72 2HB PRO 8 2HB PRO 8 -15.067 -16.351 -4.142 73 1HG PRO 8 1HG PRO 8 -13.081 -14.231 -4.780 74 2HG PRO 8 2HG PRO 8 -14.846 -14.201 -4.906 75 1HD PRO 8 1HD PRO 8 -13.450 -13.040 -2.865 76 2HD PRO 8 2HD PRO 8 -15.122 -13.621 -2.714 77 H VAL 9 H VAL 9 -11.486 -14.640 -3.347 78 HA VAL 9 HA VAL 9 -9.424 -16.817 -3.154 79 HB VAL 9 HB VAL 9 -9.542 -14.336 -4.906 80 1HG1 VAL 9 1HG1 VAL 9 -7.515 -15.084 -5.904 81 2HG1 VAL 9 2HG1 VAL 9 -7.618 -16.658 -5.115 82 3HG1 VAL 9 3HG1 VAL 9 -7.245 -15.219 -4.166 83 1HG2 VAL 9 1HG2 VAL 9 -9.906 -17.280 -5.551 84 2HG2 VAL 9 2HG2 VAL 9 -9.831 -15.986 -6.746 85 3HG2 VAL 9 3HG2 VAL 9 -11.165 -16.047 -5.595 86 H GLN 10 H GLN 10 -8.031 -16.476 -1.422 87 HA GLN 10 HA GLN 10 -7.431 -13.637 -0.655 88 1HB GLN 10 1HB GLN 10 -8.995 -15.377 0.752 89 2HB GLN 10 2HB GLN 10 -7.411 -15.741 1.435 90 1HG GLN 10 1HG GLN 10 -7.070 -13.458 2.088 91 2HG GLN 10 2HG GLN 10 -8.471 -12.920 1.161 92 1HE2 GLN 10 1HE2 GLN 10 -8.090 -15.676 3.501 93 2HE2 GLN 10 2HE2 GLN 10 -9.371 -15.175 4.496 94 H ILE 11 H ILE 11 -5.210 -13.252 -0.127 95 HA ILE 11 HA ILE 11 -2.892 -13.653 -0.082 96 HB ILE 11 HB ILE 11 -3.794 -16.437 0.718 97 1HG1 ILE 11 1HG1 ILE 11 -3.088 -15.011 3.012 98 2HG1 ILE 11 2HG1 ILE 11 -4.001 -13.834 2.067 99 1HG2 ILE 11 1HG2 ILE 11 -1.238 -14.896 0.788 100 2HG2 ILE 11 2HG2 ILE 11 -1.514 -16.591 0.392 101 3HG2 ILE 11 3HG2 ILE 11 -1.559 -16.061 2.074 102 1HD1 ILE 11 1HD1 ILE 11 -5.855 -14.827 2.890 103 2HD1 ILE 11 2HD1 ILE 11 -4.945 -16.220 3.472 104 3HD1 ILE 11 3HD1 ILE 11 -5.494 -16.163 1.797 105 H TYR 12 H TYR 12 -1.969 -13.628 -2.143 106 HA TYR 12 HA TYR 12 -2.324 -16.103 -3.814 107 1HB TYR 12 1HB TYR 12 -1.697 -13.473 -5.104 108 2HB TYR 12 2HB TYR 12 -2.734 -14.773 -5.674 109 HD1 TYR 12 HD1 TYR 12 -4.676 -15.182 -3.587 110 HD2 TYR 12 HD2 TYR 12 -2.940 -11.494 -4.935 111 HE1 TYR 12 HE1 TYR 12 -6.607 -13.952 -2.688 112 HE2 TYR 12 HE2 TYR 12 -4.899 -10.257 -4.049 113 HH TYR 12 HH TYR 12 -6.939 -11.375 -1.860 114 H GLY 13 H GLY 13 -0.112 -13.228 -3.653 115 1HA GLY 13 1HA GLY 13 2.217 -14.735 -3.023 116 2HA GLY 13 2HA GLY 13 2.120 -14.625 -4.778 117 H ILE 14 H ILE 14 2.638 -12.628 -5.783 118 HA ILE 14 HA ILE 14 4.327 -10.793 -4.394 119 HB ILE 14 HB ILE 14 2.707 -10.629 -6.955 120 1HG1 ILE 14 1HG1 ILE 14 4.652 -12.153 -6.868 121 2HG1 ILE 14 2HG1 ILE 14 4.943 -10.820 -7.982 122 1HG2 ILE 14 1HG2 ILE 14 2.986 -8.306 -6.050 123 2HG2 ILE 14 2HG2 ILE 14 3.867 -8.567 -7.555 124 3HG2 ILE 14 3HG2 ILE 14 4.729 -8.569 -6.017 125 1HD1 ILE 14 1HD1 ILE 14 6.814 -10.305 -6.831 126 2HD1 ILE 14 2HD1 ILE 14 6.466 -11.573 -5.656 127 3HD1 ILE 14 3HD1 ILE 14 5.821 -9.948 -5.415 128 H GLU 15 H GLU 15 0.790 -10.628 -5.003 129 HA GLU 15 HA GLU 15 0.439 -8.005 -3.823 130 1HB GLU 15 1HB GLU 15 -1.383 -10.377 -4.296 131 2HB GLU 15 2HB GLU 15 -1.975 -8.880 -3.572 132 1HG GLU 15 1HG GLU 15 -1.204 -7.604 -5.524 133 2HG GLU 15 2HG GLU 15 -0.552 -9.075 -6.245 134 H GLY 16 H GLY 16 0.488 -11.323 -2.423 135 1HA GLY 16 1HA GLY 16 -0.262 -10.364 0.237 136 2HA GLY 16 2HA GLY 16 0.360 -11.975 -0.150 137 H ARG 17 H ARG 17 2.795 -11.471 -1.319 138 HA ARG 17 HA ARG 17 4.524 -10.835 0.898 139 1HB ARG 17 1HB ARG 17 4.949 -10.948 -2.106 140 2HB ARG 17 2HB ARG 17 6.273 -10.691 -0.969 141 1HG ARG 17 1HG ARG 17 5.724 -12.811 0.162 142 2HG ARG 17 2HG ARG 17 4.392 -13.071 -0.965 143 1HD ARG 17 1HD ARG 17 5.903 -13.280 -2.833 144 2HD ARG 17 2HD ARG 17 7.278 -12.741 -1.850 145 HE ARG 17 HE ARG 17 6.054 -15.404 -1.764 146 1HH1 ARG 17 1HH1 ARG 17 8.970 -15.068 -1.549 147 2HH1 ARG 17 2HH1 ARG 17 9.264 -15.266 0.147 148 1HH2 ARG 17 1HH2 ARG 17 5.954 -14.768 1.049 149 2HH2 ARG 17 2HH2 ARG 17 7.557 -15.097 1.618 150 H TYR 18 H TYR 18 3.050 -8.771 -1.606 151 HA TYR 18 HA TYR 18 4.731 -6.482 -1.403 152 1HB TYR 18 1HB TYR 18 1.970 -7.106 -2.246 153 2HB TYR 18 2HB TYR 18 2.134 -5.468 -1.628 154 HD1 TYR 18 HD1 TYR 18 4.661 -7.517 -3.484 155 HD2 TYR 18 HD2 TYR 18 2.009 -4.133 -3.551 156 HE1 TYR 18 HE1 TYR 18 5.610 -6.814 -5.660 157 HE2 TYR 18 HE2 TYR 18 2.964 -3.433 -5.728 158 HH TYR 18 HH TYR 18 5.797 -4.431 -6.908 159 H ALA 19 H ALA 19 2.001 -7.499 0.700 160 HA ALA 19 HA ALA 19 2.298 -5.105 2.404 161 1HB ALA 19 1HB ALA 19 0.106 -5.939 2.394 162 2HB ALA 19 2HB ALA 19 0.735 -6.646 3.883 163 3HB ALA 19 3HB ALA 19 0.642 -7.620 2.412 164 H THR 20 H THR 20 3.234 -8.572 2.590 165 HA THR 20 HA THR 20 4.370 -8.264 5.255 166 HB THR 20 HB THR 20 5.532 -10.526 4.216 167 HG1 THR 20 HG1 THR 20 3.972 -11.433 2.855 168 1HG2 THR 20 1HG2 THR 20 2.808 -10.031 5.433 169 2HG2 THR 20 2HG2 THR 20 4.282 -10.551 6.252 170 3HG2 THR 20 3HG2 THR 20 3.442 -11.656 5.164 171 H ALA 21 H ALA 21 5.649 -7.689 1.998 172 HA ALA 21 HA ALA 21 8.435 -7.728 2.982 173 1HB ALA 21 1HB ALA 21 8.935 -6.943 0.680 174 2HB ALA 21 2HB ALA 21 7.212 -6.701 0.391 175 3HB ALA 21 3HB ALA 21 7.844 -8.327 0.643 176 H LEU 22 H LEU 22 5.808 -5.398 2.874 177 HA LEU 22 HA LEU 22 7.744 -3.142 3.284 178 1HB LEU 22 1HB LEU 22 5.871 -2.888 1.652 179 2HB LEU 22 2HB LEU 22 4.720 -3.198 2.951 180 HG LEU 22 HG LEU 22 6.358 -1.176 3.982 181 1HD1 LEU 22 1HD1 LEU 22 7.358 -0.686 1.851 182 2HD1 LEU 22 2HD1 LEU 22 6.169 0.577 2.163 183 3HD1 LEU 22 3HD1 LEU 22 5.794 -0.730 1.039 184 1HD2 LEU 22 1HD2 LEU 22 3.593 -1.453 2.939 185 2HD2 LEU 22 2HD2 LEU 22 4.191 0.201 3.080 186 3HD2 LEU 22 3HD2 LEU 22 4.155 -0.849 4.498 187 H TYR 23 H TYR 23 5.002 -4.839 4.863 188 HA TYR 23 HA TYR 23 5.375 -3.268 7.296 189 1HB TYR 23 1HB TYR 23 3.262 -3.965 7.649 190 2HB TYR 23 2HB TYR 23 3.329 -4.821 6.120 191 HD1 TYR 23 HD1 TYR 23 4.239 -5.215 9.717 192 HD2 TYR 23 HD2 TYR 23 3.026 -7.120 6.083 193 HE1 TYR 23 HE1 TYR 23 4.040 -7.359 10.925 194 HE2 TYR 23 HE2 TYR 23 2.864 -9.267 7.250 195 HH TYR 23 HH TYR 23 4.220 -10.027 9.953 196 H SER 24 H SER 24 6.958 -6.098 5.942 197 HA SER 24 HA SER 24 7.588 -7.624 8.259 198 1HB SER 24 1HB SER 24 8.480 -8.526 6.308 199 2HB SER 24 2HB SER 24 8.972 -6.955 5.685 200 HG SER 24 HG SER 24 10.712 -8.350 6.435 201 H ALA 25 H ALA 25 9.030 -4.555 7.091 202 HA ALA 25 HA ALA 25 10.903 -4.355 9.350 203 1HB ALA 25 1HB ALA 25 11.537 -3.140 7.402 204 2HB ALA 25 2HB ALA 25 10.905 -1.886 8.468 205 3HB ALA 25 3HB ALA 25 9.906 -2.516 7.159 206 H ALA 26 H ALA 26 7.661 -3.057 8.468 207 HA ALA 26 HA ALA 26 7.227 -1.372 10.742 208 1HB ALA 26 1HB ALA 26 5.744 -1.545 8.744 209 2HB ALA 26 2HB ALA 26 4.831 -1.735 10.241 210 3HB ALA 26 3HB ALA 26 5.241 -3.150 9.274 211 H SER 27 H SER 27 6.732 -4.921 10.391 212 HA SER 27 HA SER 27 5.449 -5.453 12.896 213 1HB SER 27 1HB SER 27 6.061 -7.698 12.487 214 2HB SER 27 2HB SER 27 6.091 -6.998 10.871 215 HG SER 27 HG SER 27 8.255 -7.007 10.897 216 H LYS 28 H LYS 28 8.951 -5.131 12.124 217 HA LYS 28 HA LYS 28 9.868 -5.710 14.827 218 1HB LYS 28 1HB LYS 28 11.069 -5.443 12.396 219 2HB LYS 28 2HB LYS 28 11.454 -3.871 13.100 220 1HG LYS 28 1HG LYS 28 13.247 -5.206 13.817 221 2HG LYS 28 2HG LYS 28 12.152 -5.257 15.200 222 1HD LYS 28 1HD LYS 28 11.201 -7.388 14.335 223 2HD LYS 28 2HD LYS 28 12.376 -7.352 13.019 224 1HE LYS 28 1HE LYS 28 14.219 -7.336 14.720 225 2HE LYS 28 2HE LYS 28 12.993 -7.532 15.989 226 1HZ LYS 28 1HZ LYS 28 13.523 -9.353 13.705 227 2HZ LYS 28 2HZ LYS 28 12.151 -9.473 14.701 228 3HZ LYS 28 3HZ LYS 28 13.703 -9.700 15.356 229 H GLN 29 H GLN 29 8.991 -2.681 13.101 230 HA GLN 29 HA GLN 29 9.643 -1.044 15.478 231 1HB GLN 29 1HB GLN 29 9.638 -0.575 12.797 232 2HB GLN 29 2HB GLN 29 8.068 0.096 13.237 233 1HG GLN 29 1HG GLN 29 9.534 1.918 13.523 234 2HG GLN 29 2HG GLN 29 9.353 1.280 15.158 235 1HE2 GLN 29 1HE2 GLN 29 11.590 1.313 12.336 236 2HE2 GLN 29 2HE2 GLN 29 12.960 0.867 13.235 237 H ASN 30 H ASN 30 6.999 -3.052 14.808 238 HA ASN 30 HA ASN 30 4.872 -3.195 15.776 239 1HB ASN 30 1HB ASN 30 6.468 -2.058 17.654 240 2HB ASN 30 2HB ASN 30 5.304 -0.754 17.424 241 1HD2 ASN 30 1HD2 ASN 30 3.421 -0.948 18.700 242 2HD2 ASN 30 2HD2 ASN 30 2.832 -2.414 19.318 243 H LYS 31 H LYS 31 5.163 -1.765 13.307 244 HA LYS 31 HA LYS 31 3.285 0.541 13.664 245 1HB LYS 31 1HB LYS 31 5.232 -0.254 11.485 246 2HB LYS 31 2HB LYS 31 4.137 1.120 11.355 247 1HG LYS 31 1HG LYS 31 5.747 0.976 13.847 248 2HG LYS 31 2HG LYS 31 6.643 1.318 12.366 249 1HD LYS 31 1HD LYS 31 5.505 3.313 11.974 250 2HD LYS 31 2HD LYS 31 4.103 2.816 12.923 251 1HE LYS 31 1HE LYS 31 6.784 3.209 14.256 252 2HE LYS 31 2HE LYS 31 5.691 4.580 13.983 253 1HZ LYS 31 1HZ LYS 31 5.013 2.041 15.372 254 2HZ LYS 31 2HZ LYS 31 3.907 3.282 15.024 255 3HZ LYS 31 3HZ LYS 31 5.190 3.562 16.101 256 H LEU 32 H LEU 32 2.746 -2.624 13.263 257 HA LEU 32 HA LEU 32 1.464 -3.142 10.796 258 1HB LEU 32 1HB LEU 32 1.071 -3.982 13.659 259 2HB LEU 32 2HB LEU 32 -0.133 -4.480 12.475 260 HG LEU 32 HG LEU 32 1.820 -6.107 12.883 261 1HD1 LEU 32 1HD1 LEU 32 1.732 -5.321 9.998 262 2HD1 LEU 32 2HD1 LEU 32 0.228 -5.779 10.796 263 3HD1 LEU 32 3HD1 LEU 32 1.568 -6.915 10.735 264 1HD2 LEU 32 1HD2 LEU 32 3.645 -4.462 12.910 265 2HD2 LEU 32 2HD2 LEU 32 3.296 -4.023 11.239 266 3HD2 LEU 32 3HD2 LEU 32 3.892 -5.626 11.629 267 H GLU 33 H GLU 33 0.213 -1.289 13.608 268 HA GLU 33 HA GLU 33 -2.430 -0.868 12.393 269 1HB GLU 33 1HB GLU 33 -1.415 -0.623 14.912 270 2HB GLU 33 2HB GLU 33 -1.361 1.063 14.397 271 1HG GLU 33 1HG GLU 33 -3.522 0.980 15.216 272 2HG GLU 33 2HG GLU 33 -3.822 0.511 13.542 273 H GLN 34 H GLN 34 0.625 1.010 12.638 274 HA GLN 34 HA GLN 34 -0.320 3.373 11.266 275 1HB GLN 34 1HB GLN 34 2.436 2.140 11.538 276 2HB GLN 34 2HB GLN 34 2.139 3.759 10.906 277 1HG GLN 34 1HG GLN 34 0.689 3.618 13.329 278 2HG GLN 34 2HG GLN 34 2.249 2.869 13.667 279 1HE2 GLN 34 1HE2 GLN 34 0.901 5.849 12.079 280 2HE2 GLN 34 2HE2 GLN 34 2.192 6.841 12.557 281 H VAL 35 H VAL 35 0.874 0.238 10.041 282 HA VAL 35 HA VAL 35 0.848 1.347 7.274 283 HB VAL 35 HB VAL 35 1.572 -1.490 8.029 284 1HG1 VAL 35 1HG1 VAL 35 2.688 0.436 5.972 285 2HG1 VAL 35 2HG1 VAL 35 1.443 -0.772 5.647 286 3HG1 VAL 35 3HG1 VAL 35 3.065 -1.281 6.115 287 1HG2 VAL 35 1HG2 VAL 35 4.010 -0.204 8.016 288 2HG2 VAL 35 2HG2 VAL 35 3.147 -0.668 9.477 289 3HG2 VAL 35 3HG2 VAL 35 2.998 0.975 8.851 290 H GLU 36 H GLU 36 -0.825 -1.128 9.273 291 HA GLU 36 HA GLU 36 -2.431 -2.124 7.037 292 1HB GLU 36 1HB GLU 36 -1.858 -3.248 9.309 293 2HB GLU 36 2HB GLU 36 -3.188 -2.292 9.957 294 1HG GLU 36 1HG GLU 36 -4.710 -3.266 8.279 295 2HG GLU 36 2HG GLU 36 -3.381 -4.223 7.627 296 H LYS 37 H LYS 37 -2.882 0.441 9.496 297 HA LYS 37 HA LYS 37 -5.708 0.837 8.828 298 1HB LYS 37 1HB LYS 37 -4.453 1.394 11.021 299 2HB LYS 37 2HB LYS 37 -3.876 2.832 10.178 300 1HG LYS 37 1HG LYS 37 -6.109 3.643 9.848 301 2HG LYS 37 2HG LYS 37 -6.808 2.111 10.375 302 1HD LYS 37 1HD LYS 37 -6.373 2.521 12.613 303 2HD LYS 37 2HD LYS 37 -4.999 3.570 12.260 304 1HE LYS 37 1HE LYS 37 -6.320 5.437 12.013 305 2HE LYS 37 2HE LYS 37 -7.662 4.515 11.307 306 1HZ LYS 37 1HZ LYS 37 -6.814 4.245 14.137 307 2HZ LYS 37 2HZ LYS 37 -8.222 3.626 13.415 308 3HZ LYS 37 3HZ LYS 37 -8.046 5.300 13.642 309 H GLU 38 H GLU 38 -2.622 2.370 7.783 310 HA GLU 38 HA GLU 38 -3.966 4.516 6.331 311 1HB GLU 38 1HB GLU 38 -1.213 3.274 6.029 312 2HB GLU 38 2HB GLU 38 -1.726 4.784 5.284 313 1HG GLU 38 1HG GLU 38 -1.630 4.233 8.262 314 2HG GLU 38 2HG GLU 38 -0.473 5.208 7.363 315 H LEU 39 H LEU 39 -2.813 1.235 5.427 316 HA LEU 39 HA LEU 39 -3.219 1.403 2.605 317 1HB LEU 39 1HB LEU 39 -3.248 -0.763 4.675 318 2HB LEU 39 2HB LEU 39 -3.884 -1.158 3.077 319 HG LEU 39 HG LEU 39 -1.165 0.088 3.576 320 1HD1 LEU 39 1HD1 LEU 39 -0.391 -2.227 2.801 321 2HD1 LEU 39 2HD1 LEU 39 -2.039 -2.770 3.111 322 3HD1 LEU 39 3HD1 LEU 39 -1.056 -2.137 4.432 323 1HD2 LEU 39 1HD2 LEU 39 -1.544 0.639 1.382 324 2HD2 LEU 39 2HD2 LEU 39 -2.778 -0.603 1.176 325 3HD2 LEU 39 3HD2 LEU 39 -1.071 -1.038 1.110 326 H LEU 40 H LEU 40 -5.579 0.770 5.244 327 HA LEU 40 HA LEU 40 -7.840 0.100 3.615 328 1HB LEU 40 1HB LEU 40 -7.554 0.083 6.184 329 2HB LEU 40 2HB LEU 40 -7.971 1.796 6.122 330 HG LEU 40 HG LEU 40 -10.006 0.972 4.687 331 1HD1 LEU 40 1HD1 LEU 40 -8.914 -1.527 5.927 332 2HD1 LEU 40 2HD1 LEU 40 -9.669 -1.299 4.349 333 3HD1 LEU 40 3HD1 LEU 40 -10.664 -1.343 5.806 334 1HD2 LEU 40 1HD2 LEU 40 -9.603 0.832 7.660 335 2HD2 LEU 40 2HD2 LEU 40 -11.153 0.337 6.979 336 3HD2 LEU 40 3HD2 LEU 40 -10.558 1.977 6.719 337 H ARG 41 H ARG 41 -6.405 3.295 4.368 338 HA ARG 41 HA ARG 41 -8.572 4.944 3.472 339 1HB ARG 41 1HB ARG 41 -5.562 5.368 3.335 340 2HB ARG 41 2HB ARG 41 -6.761 6.644 3.122 341 1HG ARG 41 1HG ARG 41 -7.064 4.983 5.565 342 2HG ARG 41 2HG ARG 41 -5.652 6.038 5.523 343 1HD ARG 41 1HD ARG 41 -7.076 7.671 6.242 344 2HD ARG 41 2HD ARG 41 -7.689 7.686 4.577 345 HE ARG 41 HE ARG 41 -9.431 6.093 5.271 346 1HH1 ARG 41 1HH2 ARG 41 -7.438 5.619 7.773 347 2HH1 ARG 41 2HH2 ARG 41 -8.542 6.039 9.039 348 1HH2 ARG 41 1HH1 ARG 41 -10.887 7.427 6.895 349 2HH2 ARG 41 2HH1 ARG 41 -10.495 7.062 8.542 350 H VAL 42 H VAL 42 -5.756 3.629 1.621 351 HA VAL 42 HA VAL 42 -6.551 4.778 -0.909 352 HB VAL 42 HB VAL 42 -4.986 2.238 -0.301 353 1HG1 VAL 42 1HG1 VAL 42 -5.878 2.588 -2.687 354 2HG1 VAL 42 2HG1 VAL 42 -4.136 2.364 -2.524 355 3HG1 VAL 42 3HG1 VAL 42 -4.798 3.980 -2.766 356 1HG2 VAL 42 1HG2 VAL 42 -3.694 3.866 0.708 357 2HG2 VAL 42 2HG2 VAL 42 -4.327 5.153 -0.319 358 3HG2 VAL 42 3HG2 VAL 42 -3.114 4.039 -0.948 359 H GLY 43 H GLY 43 -7.348 1.630 0.642 360 1HA GLY 43 1HA GLY 43 -8.861 0.628 -1.602 361 2HA GLY 43 2HA GLY 43 -8.966 0.032 0.058 362 H GLN 44 H GLN 44 -9.767 2.373 1.412 363 HA GLN 44 HA GLN 44 -12.605 2.414 0.961 364 1HB GLN 44 1HB GLN 44 -10.619 4.060 2.493 365 2HB GLN 44 2HB GLN 44 -12.249 4.706 2.300 366 1HG GLN 44 1HG GLN 44 -13.121 2.477 3.137 367 2HG GLN 44 2HG GLN 44 -11.456 2.062 3.546 368 1HE2 GLN 44 1HE2 GLN 44 -14.108 2.979 5.155 369 2HE2 GLN 44 2HE2 GLN 44 -13.446 4.057 6.287 370 H ILE 45 H ILE 45 -9.998 4.567 -0.247 371 HA ILE 45 HA ILE 45 -11.695 6.575 -1.436 372 HB ILE 45 HB ILE 45 -8.921 5.520 -2.126 373 1HG1 ILE 45 1HG1 ILE 45 -9.587 8.176 -0.878 374 2HG1 ILE 45 2HG1 ILE 45 -9.535 6.723 0.119 375 1HG2 ILE 45 1HG2 ILE 45 -10.545 7.737 -3.335 376 2HG2 ILE 45 2HG2 ILE 45 -9.449 6.604 -4.120 377 3HG2 ILE 45 3HG2 ILE 45 -8.802 7.945 -3.176 378 1HD1 ILE 45 1HD1 ILE 45 -7.251 7.118 -1.741 379 2HD1 ILE 45 2HD1 ILE 45 -7.264 6.493 -0.092 380 3HD1 ILE 45 3HD1 ILE 45 -7.349 8.231 -0.377 381 H LEU 46 H LEU 46 -10.117 3.707 -2.974 382 HA LEU 46 HA LEU 46 -11.494 4.034 -5.479 383 1HB LEU 46 1HB LEU 46 -9.524 2.355 -4.486 384 2HB LEU 46 2HB LEU 46 -10.873 1.249 -4.742 385 HG LEU 46 HG LEU 46 -11.112 2.097 -7.058 386 1HD1 LEU 46 1HD1 LEU 46 -10.031 3.938 -7.811 387 2HD1 LEU 46 2HD1 LEU 46 -8.489 3.416 -7.133 388 3HD1 LEU 46 3HD1 LEU 46 -9.654 4.275 -6.122 389 1HD2 LEU 46 1HD2 LEU 46 -8.878 1.197 -7.892 390 2HD2 LEU 46 2HD2 LEU 46 -9.764 0.132 -6.800 391 3HD2 LEU 46 3HD2 LEU 46 -8.396 1.071 -6.200 392 H LYS 47 H LYS 47 -12.584 2.541 -2.444 393 HA LYS 47 HA LYS 47 -14.803 1.068 -3.597 394 1HB LYS 47 1HB LYS 47 -14.167 2.202 -0.856 395 2HB LYS 47 2HB LYS 47 -15.692 1.371 -1.173 396 1HG LYS 47 1HG LYS 47 -14.400 -0.603 -1.992 397 2HG LYS 47 2HG LYS 47 -12.909 0.223 -1.539 398 1HD LYS 47 1HD LYS 47 -13.189 -0.826 0.460 399 2HD LYS 47 2HD LYS 47 -14.365 0.449 0.774 400 1HE LYS 47 1HE LYS 47 -15.041 -2.228 -0.502 401 2HE LYS 47 2HE LYS 47 -15.324 -1.818 1.201 402 1HZ LYS 47 1HZ LYS 47 -16.454 -0.472 -1.191 403 2HZ LYS 47 2HZ LYS 47 -16.533 0.190 0.371 404 3HZ LYS 47 3HZ LYS 47 -17.304 -1.285 0.030 405 H GLU 48 H GLU 48 -14.271 4.451 -2.576 406 HA GLU 48 HA GLU 48 -17.032 5.258 -2.719 407 1HB GLU 48 1HB GLU 48 -14.347 6.611 -2.756 408 2HB GLU 48 2HB GLU 48 -15.785 7.564 -3.126 409 1HG GLU 48 1HG GLU 48 -15.466 5.864 -0.635 410 2HG GLU 48 2HG GLU 48 -15.178 7.604 -0.693 411 HA PRO 49 HA PRO 49 -17.383 5.294 -7.154 412 1HB PRO 49 1HB PRO 49 -19.589 6.889 -7.424 413 2HB PRO 49 2HB PRO 49 -19.680 5.202 -6.878 414 1HG PRO 49 1HG PRO 49 -19.793 7.713 -5.292 415 2HG PRO 49 2HG PRO 49 -20.686 6.200 -5.079 416 1HD PRO 49 1HD PRO 49 -18.521 6.916 -3.570 417 2HD PRO 49 2HD PRO 49 -19.013 5.234 -3.863 418 H LYS 50 H LYS 50 -17.692 8.432 -5.411 419 HA LYS 50 HA LYS 50 -17.122 10.166 -7.618 420 1HB LYS 50 1HB LYS 50 -17.906 10.774 -5.271 421 2HB LYS 50 2HB LYS 50 -16.235 10.572 -4.743 422 1HG LYS 50 1HG LYS 50 -15.493 12.431 -5.917 423 2HG LYS 50 2HG LYS 50 -16.787 12.322 -7.111 424 1HD LYS 50 1HD LYS 50 -18.313 12.805 -4.986 425 2HD LYS 50 2HD LYS 50 -16.828 13.535 -4.377 426 1HE LYS 50 1HE LYS 50 -16.702 14.821 -6.586 427 2HE LYS 50 2HE LYS 50 -18.367 14.280 -6.879 428 1HZ LYS 50 1HZ LYS 50 -19.026 15.190 -4.758 429 2HZ LYS 50 2HZ LYS 50 -18.295 16.409 -5.688 430 3HZ LYS 50 3HZ LYS 50 -17.434 15.671 -4.424 431 H MET 51 H MET 51 -14.886 8.407 -5.425 432 HA MET 51 HA MET 51 -12.496 9.638 -6.624 433 1HB MET 51 1HB MET 51 -12.877 7.227 -4.828 434 2HB MET 51 2HB MET 51 -11.321 7.960 -5.200 435 1HG MET 51 1HG MET 51 -13.641 9.375 -3.853 436 2HG MET 51 2HG MET 51 -12.224 8.741 -3.022 437 1HE MET 51 1HE MET 51 -9.300 10.828 -4.339 438 2HE MET 51 2HE MET 51 -9.866 9.224 -4.802 439 3HE MET 51 3HE MET 51 -9.877 9.698 -3.105 440 H ALA 52 H ALA 52 -14.233 6.515 -6.971 441 HA ALA 52 HA ALA 52 -12.355 5.125 -8.595 442 1HB ALA 52 1HB ALA 52 -15.325 5.124 -8.232 443 2HB ALA 52 2HB ALA 52 -14.174 3.807 -8.022 444 3HB ALA 52 3HB ALA 52 -14.692 4.272 -9.639 445 H ALA 53 H ALA 53 -14.744 7.628 -9.534 446 HA ALA 53 HA ALA 53 -14.514 7.417 -12.370 447 1HB ALA 53 1HB ALA 53 -14.698 10.061 -10.917 448 2HB ALA 53 2HB ALA 53 -16.029 8.905 -10.861 449 3HB ALA 53 3HB ALA 53 -15.503 9.569 -12.407 450 H SER 54 H SER 54 -12.204 8.782 -10.018 451 HA SER 54 HA SER 54 -10.577 9.919 -12.254 452 1HB SER 54 1HB SER 54 -11.183 11.085 -9.997 453 2HB SER 54 2HB SER 54 -9.950 10.036 -9.298 454 HG SER 54 HG SER 54 -9.699 12.041 -11.276 455 H LEU 55 H LEU 55 -10.097 7.746 -9.395 456 HA LEU 55 HA LEU 55 -7.452 6.904 -10.133 457 1HB LEU 55 1HB LEU 55 -9.641 5.914 -8.371 458 2HB LEU 55 2HB LEU 55 -8.417 4.730 -8.826 459 HG LEU 55 HG LEU 55 -7.442 7.412 -7.972 460 1HD1 LEU 55 1HD1 LEU 55 -7.990 5.449 -5.799 461 2HD1 LEU 55 2HD1 LEU 55 -9.363 6.379 -6.399 462 3HD1 LEU 55 3HD1 LEU 55 -7.955 7.211 -5.740 463 1HD2 LEU 55 1HD2 LEU 55 -5.534 6.222 -7.424 464 2HD2 LEU 55 2HD2 LEU 55 -6.188 5.158 -8.670 465 3HD2 LEU 55 3HD2 LEU 55 -6.438 4.780 -6.965 466 H LEU 56 H LEU 56 -10.655 5.739 -11.237 467 HA LEU 56 HA LEU 56 -9.288 3.648 -12.882 468 1HB LEU 56 1HB LEU 56 -11.196 3.037 -11.411 469 2HB LEU 56 2HB LEU 56 -12.221 4.172 -12.285 470 HG LEU 56 HG LEU 56 -10.835 2.336 -14.096 471 1HD1 LEU 56 1HD1 LEU 56 -12.622 1.199 -11.931 472 2HD1 LEU 56 2HD1 LEU 56 -10.970 0.720 -12.321 473 3HD1 LEU 56 3HD1 LEU 56 -12.280 0.362 -13.445 474 1HD2 LEU 56 1HD2 LEU 56 -13.425 3.647 -13.759 475 2HD2 LEU 56 2HD2 LEU 56 -13.617 1.968 -14.259 476 3HD2 LEU 56 3HD2 LEU 56 -12.651 3.073 -15.234 477 H ASN 57 H ASN 57 -9.454 6.755 -13.512 478 HA ASN 57 HA ASN 57 -11.071 6.646 -15.996 479 1HB ASN 57 1HB ASN 57 -10.473 8.600 -14.092 480 2HB ASN 57 2HB ASN 57 -9.506 9.070 -15.488 481 1HD2 ASN 57 1HD2 ASN 57 -12.855 7.688 -15.073 482 2HD2 ASN 57 2HD2 ASN 57 -13.584 8.826 -16.100 483 HA PRO 58 HA PRO 58 -7.267 5.677 -18.177 484 1HB PRO 58 1HB PRO 58 -8.309 5.670 -20.704 485 2HB PRO 58 2HB PRO 58 -8.493 4.310 -19.580 486 1HG PRO 58 1HG PRO 58 -10.429 6.452 -20.289 487 2HG PRO 58 2HG PRO 58 -10.710 4.731 -19.984 488 1HD PRO 58 1HD PRO 58 -11.229 6.693 -18.161 489 2HD PRO 58 2HD PRO 58 -10.827 5.020 -17.720 490 H TYR 59 H TYR 59 -9.154 8.577 -18.331 491 HA TYR 59 HA TYR 59 -7.513 9.915 -20.372 492 1HB TYR 59 1HB TYR 59 -9.717 10.805 -18.481 493 2HB TYR 59 2HB TYR 59 -9.032 11.822 -19.757 494 HD1 TYR 59 HD1 TYR 59 -9.393 11.284 -22.131 495 HD2 TYR 59 HD2 TYR 59 -11.143 8.890 -19.015 496 HE1 TYR 59 HE1 TYR 59 -10.887 10.206 -23.791 497 HE2 TYR 59 HE2 TYR 59 -12.625 7.814 -20.675 498 HH TYR 59 HH TYR 59 -13.316 8.999 -23.566 499 H VAL 60 H VAL 60 -6.826 9.152 -17.142 500 HA VAL 60 HA VAL 60 -5.550 11.805 -16.607 501 HB VAL 60 HB VAL 60 -5.988 9.392 -14.811 502 1HG1 VAL 60 1HG1 VAL 60 -5.740 11.392 -13.095 503 2HG1 VAL 60 2HG1 VAL 60 -4.839 12.134 -14.417 504 3HG1 VAL 60 3HG1 VAL 60 -4.307 10.594 -13.744 505 1HG2 VAL 60 1HG2 VAL 60 -7.520 12.009 -14.887 506 2HG2 VAL 60 2HG2 VAL 60 -7.887 10.587 -13.912 507 3HG2 VAL 60 3HG2 VAL 60 -8.085 10.529 -15.664 508 H LYS 61 H LYS 61 -4.430 9.652 -18.537 509 HA LYS 61 HA LYS 61 -2.349 8.646 -19.000 510 1HB LYS 61 1HB LYS 61 -1.942 11.153 -17.450 511 2HB LYS 61 2HB LYS 61 -0.526 10.121 -17.652 512 1HG LYS 61 1HG LYS 61 -1.406 10.042 -20.172 513 2HG LYS 61 2HG LYS 61 -2.108 11.592 -19.712 514 1HD LYS 61 1HD LYS 61 0.078 12.427 -19.025 515 2HD LYS 61 2HD LYS 61 0.810 10.856 -19.347 516 1HE LYS 61 1HE LYS 61 0.850 11.198 -21.615 517 2HE LYS 61 2HE LYS 61 -0.704 12.058 -21.609 518 1HZ LYS 61 1HZ LYS 61 1.007 13.655 -22.011 519 2HZ LYS 61 2HZ LYS 61 1.923 13.099 -20.693 520 3HZ LYS 61 3HZ LYS 61 0.446 13.896 -20.428 521 H ARG 62 H ARG 62 -0.103 8.004 -17.637 522 HA ARG 62 HA ARG 62 -1.102 6.409 -15.297 523 1HB ARG 62 1HB ARG 62 -0.168 5.323 -17.430 524 2HB ARG 62 2HB ARG 62 1.401 5.969 -16.948 525 1HG ARG 62 1HG ARG 62 -0.120 4.503 -14.854 526 2HG ARG 62 2HG ARG 62 0.533 3.532 -16.175 527 1HD ARG 62 1HD ARG 62 2.268 5.557 -14.749 528 2HD ARG 62 2HD ARG 62 2.074 3.907 -14.123 529 HE ARG 62 HE ARG 62 3.193 4.588 -16.808 530 1HH1 ARG 62 1HH1 ARG 62 4.353 3.147 -14.211 531 2HH1 ARG 62 2HH1 ARG 62 4.534 1.550 -14.858 532 1HH2 ARG 62 1HH2 ARG 62 2.623 2.191 -17.680 533 2HH2 ARG 62 2HH2 ARG 62 3.553 1.009 -16.821 534 H SER 63 H SER 63 1.915 8.053 -16.447 535 HA SER 63 HA SER 63 3.202 8.135 -13.882 536 1HB SER 63 1HB SER 63 3.419 9.660 -16.460 537 2HB SER 63 2HB SER 63 4.287 10.267 -15.054 538 HG SER 63 HG SER 63 5.662 8.848 -15.979 539 H VAL 64 H VAL 64 0.936 10.452 -15.438 540 HA VAL 64 HA VAL 64 1.130 12.538 -13.471 541 HB VAL 64 HB VAL 64 -1.243 11.636 -15.153 542 1HG1 VAL 64 1HG1 VAL 64 -0.671 14.253 -13.728 543 2HG1 VAL 64 2HG1 VAL 64 -1.982 13.128 -13.374 544 3HG1 VAL 64 3HG1 VAL 64 -1.971 14.019 -14.896 545 1HG2 VAL 64 1HG2 VAL 64 0.326 14.029 -15.906 546 2HG2 VAL 64 2HG2 VAL 64 -0.307 12.734 -16.921 547 3HG2 VAL 64 3HG2 VAL 64 1.204 12.507 -16.042 548 H LYS 65 H LYS 65 -0.888 9.564 -13.545 549 HA LYS 65 HA LYS 65 -2.541 10.100 -11.282 550 1HB LYS 65 1HB LYS 65 -2.662 8.146 -12.904 551 2HB LYS 65 2HB LYS 65 -1.321 7.417 -12.018 552 1HG LYS 65 1HG LYS 65 -3.146 6.459 -10.934 553 2HG LYS 65 2HG LYS 65 -2.851 7.871 -9.919 554 1HD LYS 65 1HD LYS 65 -4.648 8.248 -12.267 555 2HD LYS 65 2HD LYS 65 -5.285 7.314 -10.912 556 1HE LYS 65 1HE LYS 65 -4.226 9.354 -9.516 557 2HE LYS 65 2HE LYS 65 -4.564 10.207 -11.036 558 1HZ LYS 65 1HZ LYS 65 -6.801 9.156 -10.992 559 2HZ LYS 65 2HZ LYS 65 -6.542 10.258 -9.725 560 3HZ LYS 65 3HZ LYS 65 -6.466 8.587 -9.430 561 H VAL 66 H VAL 66 0.809 8.808 -11.412 562 HA VAL 66 HA VAL 66 1.030 8.200 -8.594 563 HB VAL 66 HB VAL 66 3.162 9.071 -10.587 564 1HG1 VAL 66 1HG1 VAL 66 4.021 9.200 -8.323 565 2HG1 VAL 66 2HG1 VAL 66 4.664 7.738 -9.069 566 3HG1 VAL 66 3HG1 VAL 66 3.326 7.628 -7.925 567 1HG2 VAL 66 1HG2 VAL 66 2.234 7.151 -11.544 568 2HG2 VAL 66 2HG2 VAL 66 1.810 6.456 -9.979 569 3HG2 VAL 66 3HG2 VAL 66 3.490 6.459 -10.518 570 H LYS 67 H LYS 67 1.843 11.178 -10.457 571 HA LYS 67 HA LYS 67 2.830 12.700 -8.220 572 1HB LYS 67 1HB LYS 67 2.958 13.237 -10.723 573 2HB LYS 67 2HB LYS 67 1.290 13.798 -10.595 574 1HG LYS 67 1HG LYS 67 2.154 15.252 -8.627 575 2HG LYS 67 2HG LYS 67 3.759 14.928 -9.284 576 1HD LYS 67 1HD LYS 67 3.363 16.129 -11.222 577 2HD LYS 67 2HD LYS 67 1.624 15.841 -11.169 578 1HE LYS 67 1HE LYS 67 1.386 17.419 -9.302 579 2HE LYS 67 2HE LYS 67 3.142 17.678 -9.280 580 1HZ LYS 67 1HZ LYS 67 1.311 18.208 -11.560 581 2HZ LYS 67 2HZ LYS 67 3.003 18.342 -11.627 582 3HZ LYS 67 3HZ LYS 67 2.105 19.375 -10.621 583 H SER 68 H SER 68 -0.495 12.308 -9.530 584 HA SER 68 HA SER 68 -1.808 14.208 -7.832 585 1HB SER 68 1HB SER 68 -2.704 12.828 -9.833 586 2HB SER 68 2HB SER 68 -2.992 11.546 -8.660 587 HG SER 68 HG SER 68 -4.742 13.151 -9.104 588 H LEU 69 H LEU 69 -0.922 10.777 -7.227 589 HA LEU 69 HA LEU 69 -2.307 10.427 -4.747 590 1HB LEU 69 1HB LEU 69 0.277 9.310 -5.868 591 2HB LEU 69 2HB LEU 69 -0.366 8.779 -4.313 592 HG LEU 69 HG LEU 69 -2.003 8.746 -6.857 593 1HD1 LEU 69 1HD1 LEU 69 -1.495 6.146 -6.430 594 2HD1 LEU 69 2HD1 LEU 69 0.005 6.817 -5.788 595 3HD1 LEU 69 3HD1 LEU 69 -0.465 7.142 -7.457 596 1HD2 LEU 69 1HD2 LEU 69 -3.443 8.631 -4.992 597 2HD2 LEU 69 2HD2 LEU 69 -2.298 7.674 -4.054 598 3HD2 LEU 69 3HD2 LEU 69 -3.174 6.935 -5.395 599 H SER 70 H SER 70 0.928 11.852 -5.402 600 HA SER 70 HA SER 70 1.758 12.201 -2.680 601 1HB SER 70 1HB SER 70 3.282 12.556 -4.546 602 2HB SER 70 2HB SER 70 2.275 13.855 -5.178 603 HG SER 70 HG SER 70 2.893 15.143 -3.538 604 H ASP 71 H ASP 71 -0.254 14.315 -4.781 605 HA ASP 71 HA ASP 71 -0.505 16.454 -2.834 606 1HB ASP 71 1HB ASP 71 -1.969 15.596 -5.321 607 2HB ASP 71 2HB ASP 71 -2.642 16.884 -4.322 608 H MET 72 H MET 72 -2.060 13.301 -3.021 609 HA MET 72 HA MET 72 -4.321 14.162 -1.286 610 1HB MET 72 1HB MET 72 -4.394 12.391 -3.186 611 2HB MET 72 2HB MET 72 -3.530 11.337 -2.066 612 1HG MET 72 1HG MET 72 -5.390 11.905 -0.374 613 2HG MET 72 2HG MET 72 -6.287 12.530 -1.758 614 1HE MET 72 1HE MET 72 -4.069 9.891 -0.515 615 2HE MET 72 2HE MET 72 -4.632 8.344 -1.142 616 3HE MET 72 3HE MET 72 -5.480 9.102 0.203 617 H THR 73 H THR 73 -1.413 12.067 -1.190 618 HA THR 73 HA THR 73 -1.541 11.280 1.553 619 HB THR 73 HB THR 73 0.598 11.644 -0.543 620 HG1 THR 73 HG1 THR 73 0.622 9.467 -0.425 621 1HG2 THR 73 1HG2 THR 73 1.084 11.264 2.387 622 2HG2 THR 73 2HG2 THR 73 2.000 12.202 1.209 623 3HG2 THR 73 3HG2 THR 73 2.123 10.443 1.222 624 H ALA 74 H ALA 74 -0.308 14.313 0.041 625 HA ALA 74 HA ALA 74 0.948 15.452 2.353 626 1HB ALA 74 1HB ALA 74 -0.502 16.635 -0.031 627 2HB ALA 74 2HB ALA 74 1.238 16.522 0.234 628 3HB ALA 74 3HB ALA 74 0.273 17.654 1.182 629 H LYS 75 H LYS 75 -2.501 15.477 1.343 630 HA LYS 75 HA LYS 75 -3.245 17.018 3.779 631 1HB LYS 75 1HB LYS 75 -4.571 16.113 1.245 632 2HB LYS 75 2HB LYS 75 -5.595 16.472 2.634 633 1HG LYS 75 1HG LYS 75 -4.842 18.718 2.750 634 2HG LYS 75 2HG LYS 75 -3.461 18.394 1.703 635 1HD LYS 75 1HD LYS 75 -4.711 18.516 -0.213 636 2HD LYS 75 2HD LYS 75 -6.140 17.821 0.552 637 1HE LYS 75 1HE LYS 75 -5.346 20.486 1.585 638 2HE LYS 75 2HE LYS 75 -5.941 20.462 -0.087 639 1HZ LYS 75 1HZ LYS 75 -7.280 19.174 2.234 640 2HZ LYS 75 2HZ LYS 75 -7.844 19.169 0.631 641 3HZ LYS 75 3HZ LYS 75 -7.773 20.624 1.506 642 H GLU 76 H GLU 76 -3.517 13.691 2.474 643 HA GLU 76 HA GLU 76 -5.333 12.641 4.430 644 1HB GLU 76 1HB GLU 76 -3.110 11.429 2.777 645 2HB GLU 76 2HB GLU 76 -4.128 10.447 3.830 646 1HG GLU 76 1HG GLU 76 -5.308 12.328 1.781 647 2HG GLU 76 2HG GLU 76 -4.877 10.665 1.380 648 H LYS 77 H LYS 77 -1.923 13.531 4.790 649 HA LYS 77 HA LYS 77 -0.517 13.419 6.666 650 1HB LYS 77 1HB LYS 77 -2.896 14.174 7.591 651 2HB LYS 77 2HB LYS 77 -2.870 12.573 8.334 652 1HG LYS 77 1HG LYS 77 -1.181 13.122 9.778 653 2HG LYS 77 2HG LYS 77 -0.376 14.160 8.602 654 1HD LYS 77 1HD LYS 77 -2.499 15.690 8.953 655 2HD LYS 77 2HD LYS 77 -2.622 14.814 10.479 656 1HE LYS 77 1HE LYS 77 -0.780 15.847 11.357 657 2HE LYS 77 2HE LYS 77 0.102 15.785 9.817 658 1HZ LYS 77 1HZ LYS 77 -1.374 17.513 8.960 659 2HZ LYS 77 2HZ LYS 77 -0.527 18.058 10.328 660 3HZ LYS 77 3HZ LYS 77 -2.161 17.605 10.459 661 H PHE 78 H PHE 78 -0.529 11.149 5.048 662 HA PHE 78 HA PHE 78 -1.168 8.650 6.253 663 1HB PHE 78 1HB PHE 78 0.727 9.638 4.182 664 2HB PHE 78 2HB PHE 78 1.084 8.049 4.857 665 HD1 PHE 78 HD1 PHE 78 -1.249 6.664 5.329 666 HD2 PHE 78 HD2 PHE 78 -0.570 9.566 2.233 667 HE1 PHE 78 HE1 PHE 78 -3.098 5.676 3.994 668 HE2 PHE 78 HE2 PHE 78 -2.409 8.570 0.894 669 HZ PHE 78 HZ PHE 78 -3.674 6.624 1.778 670 H SER 79 H SER 79 0.961 7.063 6.770 671 HA SER 79 HA SER 79 2.218 8.389 9.119 672 1HB SER 79 1HB SER 79 2.073 5.423 8.760 673 2HB SER 79 2HB SER 79 1.904 6.377 10.230 674 HG SER 79 HG SER 79 -0.144 6.931 9.631 675 HA PRO 80 HA PRO 80 6.206 7.483 7.567 676 1HB PRO 80 1HB PRO 80 7.529 5.828 9.275 677 2HB PRO 80 2HB PRO 80 7.176 7.528 9.629 678 1HG PRO 80 1HG PRO 80 5.853 5.077 10.625 679 2HG PRO 80 2HG PRO 80 6.122 6.628 11.432 680 1HD PRO 80 1HD PRO 80 3.744 5.799 10.319 681 2HD PRO 80 2HD PRO 80 4.164 7.488 10.672 682 H LEU 81 H LEU 81 4.122 4.723 7.787 683 HA LEU 81 HA LEU 81 6.000 3.202 6.025 684 1HB LEU 81 1HB LEU 81 4.104 2.498 8.221 685 2HB LEU 81 2HB LEU 81 4.211 1.372 6.859 686 HG LEU 81 HG LEU 81 6.824 2.357 7.846 687 1HD1 LEU 81 1HD1 LEU 81 5.328 2.016 9.922 688 2HD1 LEU 81 2HD1 LEU 81 6.874 1.167 9.880 689 3HD1 LEU 81 3HD1 LEU 81 5.381 0.303 9.513 690 1HD2 LEU 81 1HD2 LEU 81 7.008 -0.317 7.809 691 2HD2 LEU 81 2HD2 LEU 81 7.087 0.638 6.329 692 3HD2 LEU 81 3HD2 LEU 81 5.578 -0.144 6.792 693 H THR 82 H THR 82 3.944 5.391 5.289 694 HA THR 82 HA THR 82 2.503 3.712 3.321 695 HB THR 82 HB THR 82 1.005 5.919 4.715 696 HG1 THR 82 HG1 THR 82 1.632 4.854 6.489 697 1HG2 THR 82 1HG2 THR 82 0.490 3.872 2.805 698 2HG2 THR 82 2HG2 THR 82 -0.689 4.910 3.588 699 3HG2 THR 82 3HG2 THR 82 -0.291 3.352 4.294 700 H SER 83 H SER 83 4.814 5.725 3.160 701 HA SER 83 HA SER 83 3.547 7.414 1.047 702 1HB SER 83 1HB SER 83 5.914 8.411 2.625 703 2HB SER 83 2HB SER 83 4.618 9.339 1.877 704 HG SER 83 HG SER 83 3.280 8.799 3.540 705 H ASN 84 H ASN 84 4.426 5.071 0.456 706 HA ASN 84 HA ASN 84 6.656 5.417 -1.389 707 1HB ASN 84 1HB ASN 84 7.028 4.272 1.332 708 2HB ASN 84 2HB ASN 84 7.709 3.308 0.022 709 1HD2 ASN 84 1HD2 ASN 84 9.039 4.776 -1.664 710 2HD2 ASN 84 2HD2 ASN 84 10.033 5.952 -0.950 711 H LEU 85 H LEU 85 4.986 2.925 0.612 712 HA LEU 85 HA LEU 85 4.674 0.934 -1.421 713 1HB LEU 85 1HB LEU 85 4.247 0.560 0.998 714 2HB LEU 85 2HB LEU 85 2.884 1.674 0.938 715 HG LEU 85 HG LEU 85 1.896 0.149 -0.864 716 1HD1 LEU 85 1HD1 LEU 85 3.962 -1.059 -1.415 717 2HD1 LEU 85 2HD1 LEU 85 2.735 -2.186 -0.836 718 3HD1 LEU 85 3HD1 LEU 85 4.049 -1.688 0.230 719 1HD2 LEU 85 1HD2 LEU 85 2.176 -0.379 2.046 720 2HD2 LEU 85 2HD2 LEU 85 1.538 -1.711 1.082 721 3HD2 LEU 85 3HD2 LEU 85 0.719 -0.150 1.078 722 H ILE 86 H ILE 86 2.860 3.996 -0.771 723 HA ILE 86 HA ILE 86 0.565 3.374 -2.396 724 HB ILE 86 HB ILE 86 1.947 6.005 -1.744 725 1HG1 ILE 86 1HG1 ILE 86 -0.482 4.568 -0.614 726 2HG1 ILE 86 2HG1 ILE 86 1.066 4.792 0.195 727 1HG2 ILE 86 1HG2 ILE 86 -0.837 5.571 -2.892 728 2HG2 ILE 86 2HG2 ILE 86 0.541 6.160 -3.822 729 3HG2 ILE 86 3HG2 ILE 86 -0.100 7.123 -2.491 730 1HD1 ILE 86 1HD1 ILE 86 -0.398 6.470 1.078 731 2HD1 ILE 86 2HD1 ILE 86 -0.965 6.914 -0.533 732 3HD1 ILE 86 3HD1 ILE 86 0.683 7.304 -0.039 733 H ASN 87 H ASN 87 3.775 4.753 -3.247 734 HA ASN 87 HA ASN 87 3.243 5.327 -6.008 735 1HB ASN 87 1HB ASN 87 5.733 4.433 -4.519 736 2HB ASN 87 2HB ASN 87 5.767 4.870 -6.227 737 1HD2 ASN 87 1HD2 ASN 87 7.065 6.838 -5.839 738 2HD2 ASN 87 2HD2 ASN 87 6.388 8.185 -5.058 739 H LEU 88 H LEU 88 4.679 2.334 -4.579 740 HA LEU 88 HA LEU 88 4.766 0.719 -6.910 741 1HB LEU 88 1HB LEU 88 4.595 0.298 -3.978 742 2HB LEU 88 2HB LEU 88 4.014 -1.059 -4.938 743 HG LEU 88 HG LEU 88 6.523 0.086 -5.961 744 1HD1 LEU 88 1HD1 LEU 88 7.933 -0.843 -4.165 745 2HD1 LEU 88 2HD1 LEU 88 6.491 -1.247 -3.235 746 3HD1 LEU 88 3HD1 LEU 88 6.897 0.441 -3.543 747 1HD2 LEU 88 1HD2 LEU 88 7.016 -2.519 -5.503 748 2HD2 LEU 88 2HD2 LEU 88 6.070 -1.976 -6.890 749 3HD2 LEU 88 3HD2 LEU 88 5.254 -2.565 -5.442 750 H LEU 89 H LEU 89 2.008 1.310 -4.687 751 HA LEU 89 HA LEU 89 0.148 -0.500 -5.896 752 1HB LEU 89 1HB LEU 89 0.070 1.794 -4.057 753 2HB LEU 89 2HB LEU 89 -1.368 1.703 -5.070 754 HG LEU 89 HG LEU 89 -0.278 -0.704 -3.608 755 1HD1 LEU 89 1HD1 LEU 89 -1.142 1.489 -2.266 756 2HD1 LEU 89 2HD1 LEU 89 -1.401 -0.158 -1.694 757 3HD1 LEU 89 3HD1 LEU 89 -2.684 0.686 -2.562 758 1HD2 LEU 89 1HD2 LEU 89 -2.994 -0.013 -4.770 759 2HD2 LEU 89 2HD2 LEU 89 -2.574 -1.532 -3.976 760 3HD2 LEU 89 3HD2 LEU 89 -1.810 -1.094 -5.505 761 H ALA 90 H ALA 90 1.003 2.879 -6.765 762 HA ALA 90 HA ALA 90 -0.734 2.595 -9.194 763 1HB ALA 90 1HB ALA 90 0.484 5.197 -8.418 764 2HB ALA 90 2HB ALA 90 -0.707 4.532 -7.301 765 3HB ALA 90 3HB ALA 90 -1.151 4.847 -8.979 766 H GLU 91 H GLU 91 2.100 1.456 -8.866 767 HA GLU 91 HA GLU 91 3.525 3.166 -10.880 768 1HB GLU 91 1HB GLU 91 4.644 2.736 -8.712 769 2HB GLU 91 2HB GLU 91 4.528 1.001 -8.999 770 1HG GLU 91 1HG GLU 91 6.717 1.552 -9.702 771 2HG GLU 91 2HG GLU 91 5.796 1.485 -11.204 772 H ASN 92 H ASN 92 2.877 -0.331 -10.131 773 HA ASN 92 HA ASN 92 3.346 -0.887 -13.045 774 1HB ASN 92 1HB ASN 92 3.826 -2.359 -10.476 775 2HB ASN 92 2HB ASN 92 3.592 -3.285 -11.959 776 1HD2 ASN 92 1HD2 ASN 92 6.154 -2.882 -10.351 777 2HD2 ASN 92 2HD2 ASN 92 7.257 -2.225 -11.463 778 H GLY 93 H GLY 93 0.693 0.010 -11.857 779 1HA GLY 93 1HA GLY 93 -1.538 -0.568 -12.312 780 2HA GLY 93 2HA GLY 93 -0.952 -2.036 -13.100 781 H ARG 94 H ARG 94 -0.476 -0.868 -9.732 782 HA ARG 94 HA ARG 94 -1.337 -3.559 -8.806 783 1HB ARG 94 1HB ARG 94 0.279 -1.287 -7.725 784 2HB ARG 94 2HB ARG 94 -0.477 -2.387 -6.573 785 1HG ARG 94 1HG ARG 94 1.159 -3.391 -8.907 786 2HG ARG 94 2HG ARG 94 1.894 -2.993 -7.356 787 1HD ARG 94 1HD ARG 94 1.285 -5.024 -6.560 788 2HD ARG 94 2HD ARG 94 -0.420 -4.620 -6.842 789 HE ARG 94 HE ARG 94 -0.284 -5.679 -8.996 790 1HH1 ARG 94 1HH1 ARG 94 2.671 -4.642 -9.277 791 2HH1 ARG 94 2HH1 ARG 94 3.488 -6.158 -9.460 792 1HH2 ARG 94 1HH2 ARG 94 0.783 -8.046 -8.387 793 2HH2 ARG 94 2HH2 ARG 94 2.419 -8.085 -8.956 794 H LEU 95 H LEU 95 -2.350 -0.131 -8.558 795 HA LEU 95 HA LEU 95 -4.281 -0.436 -6.452 796 1HB LEU 95 1HB LEU 95 -3.914 1.416 -8.799 797 2HB LEU 95 2HB LEU 95 -5.419 1.501 -7.883 798 HG LEU 95 HG LEU 95 -2.883 1.422 -6.320 799 1HD1 LEU 95 1HD1 LEU 95 -3.855 3.891 -7.791 800 2HD1 LEU 95 2HD1 LEU 95 -2.352 3.026 -8.114 801 3HD1 LEU 95 3HD1 LEU 95 -2.576 3.860 -6.575 802 1HD2 LEU 95 1HD2 LEU 95 -5.083 1.510 -5.217 803 2HD2 LEU 95 2HD2 LEU 95 -5.474 2.988 -6.097 804 3HD2 LEU 95 3HD2 LEU 95 -4.176 2.990 -4.901 805 H THR 96 H THR 96 -6.826 -0.007 -7.246 806 HA THR 96 HA THR 96 -8.729 -0.849 -8.415 807 HB THR 96 HB THR 96 -7.070 -2.897 -9.862 808 HG1 THR 96 HG1 THR 96 -7.173 -0.124 -10.536 809 1HG2 THR 96 1HG2 THR 96 -9.554 -2.746 -10.105 810 2HG2 THR 96 2HG2 THR 96 -8.696 -2.501 -11.625 811 3HG2 THR 96 3HG2 THR 96 -9.355 -1.117 -10.753 812 H ASN 97 H ASN 97 -6.264 -3.424 -7.692 813 HA ASN 97 HA ASN 97 -8.408 -4.887 -6.204 814 1HB ASN 97 1HB ASN 97 -5.635 -5.695 -7.166 815 2HB ASN 97 2HB ASN 97 -6.765 -6.766 -6.338 816 1HD2 ASN 97 1HD2 ASN 97 -5.766 -5.801 -9.446 817 2HD2 ASN 97 2HD2 ASN 97 -7.142 -6.299 -10.304 818 H THR 98 H THR 98 -7.013 -2.384 -5.205 819 HA THR 98 HA THR 98 -4.917 -2.719 -3.434 820 HB THR 98 HB THR 98 -7.139 -1.159 -2.303 821 HG1 THR 98 HG1 THR 98 -7.455 0.125 -4.043 822 1HG2 THR 98 1HG2 THR 98 -4.639 -0.908 -1.896 823 2HG2 THR 98 2HG2 THR 98 -5.497 0.580 -2.300 824 3HG2 THR 98 3HG2 THR 98 -4.535 -0.245 -3.527 825 HA PRO 99 HA PRO 99 -7.878 -4.169 0.082 826 1HB PRO 99 1HB PRO 99 -10.182 -5.447 -0.710 827 2HB PRO 99 2HB PRO 99 -10.104 -3.722 -0.298 828 1HG PRO 99 1HG PRO 99 -10.034 -5.029 -2.981 829 2HG PRO 99 2HG PRO 99 -10.924 -3.589 -2.453 830 1HD PRO 99 1HD PRO 99 -8.664 -3.389 -3.853 831 2HD PRO 99 2HD PRO 99 -9.053 -2.223 -2.575 832 H ALA 100 H ALA 100 -7.753 -6.003 -3.001 833 HA ALA 100 HA ALA 100 -7.602 -8.625 -1.740 834 1HB ALA 100 1HB ALA 100 -8.032 -7.882 -4.244 835 2HB ALA 100 2HB ALA 100 -7.192 -9.399 -3.925 836 3HB ALA 100 3HB ALA 100 -6.274 -7.959 -4.365 837 H VAL 101 H VAL 101 -5.134 -6.249 -2.838 838 HA VAL 101 HA VAL 101 -2.868 -7.912 -2.001 839 HB VAL 101 HB VAL 101 -3.060 -4.913 -2.491 840 1HG1 VAL 101 1HG1 VAL 101 -0.650 -5.046 -2.892 841 2HG1 VAL 101 2HG1 VAL 101 -0.676 -6.786 -2.606 842 3HG1 VAL 101 3HG1 VAL 101 -1.015 -5.671 -1.283 843 1HG2 VAL 101 1HG2 VAL 101 -2.930 -7.280 -4.291 844 2HG2 VAL 101 2HG2 VAL 101 -1.898 -5.914 -4.716 845 3HG2 VAL 101 3HG2 VAL 101 -3.643 -5.692 -4.573 846 H ILE 102 H ILE 102 -4.789 -5.278 -0.497 847 HA ILE 102 HA ILE 102 -3.076 -5.142 1.882 848 HB ILE 102 HB ILE 102 -5.896 -4.129 1.352 849 1HG1 ILE 102 1HG1 ILE 102 -3.351 -2.507 1.342 850 2HG1 ILE 102 2HG1 ILE 102 -3.892 -3.344 -0.114 851 1HG2 ILE 102 1HG2 ILE 102 -5.335 -2.531 3.208 852 2HG2 ILE 102 2HG2 ILE 102 -3.871 -3.466 3.514 853 3HG2 ILE 102 3HG2 ILE 102 -5.456 -4.206 3.743 854 1HD1 ILE 102 1HD1 ILE 102 -5.671 -1.471 1.466 855 2HD1 ILE 102 2HD1 ILE 102 -5.963 -2.130 -0.144 856 3HD1 ILE 102 3HD1 ILE 102 -4.686 -0.939 0.102 857 H SER 103 H SER 103 -6.022 -6.973 0.975 858 HA SER 103 HA SER 103 -6.911 -7.782 3.558 859 1HB SER 103 1HB SER 103 -6.963 -8.945 0.799 860 2HB SER 103 2HB SER 103 -7.398 -10.009 2.132 861 HG SER 103 HG SER 103 -9.122 -8.680 1.114 862 H ALA 104 H ALA 104 -4.297 -9.165 1.521 863 HA ALA 104 HA ALA 104 -3.619 -11.381 3.221 864 1HB ALA 104 1HB ALA 104 -2.527 -11.448 1.169 865 2HB ALA 104 2HB ALA 104 -1.233 -10.769 2.154 866 3HB ALA 104 3HB ALA 104 -2.228 -9.710 1.156 867 H PHE 105 H PHE 105 -2.738 -7.916 3.417 868 HA PHE 105 HA PHE 105 -0.652 -8.034 5.355 869 1HB PHE 105 1HB PHE 105 -1.630 -6.035 4.057 870 2HB PHE 105 2HB PHE 105 -2.874 -5.971 5.302 871 HD1 PHE 105 HD1 PHE 105 0.287 -4.769 4.356 872 HD2 PHE 105 HD2 PHE 105 -1.912 -6.036 7.816 873 HE1 PHE 105 HE1 PHE 105 1.810 -3.468 5.807 874 HE2 PHE 105 HE2 PHE 105 -0.390 -4.740 9.258 875 HZ PHE 105 HZ PHE 105 1.469 -3.461 8.259 876 H SER 106 H SER 106 -4.220 -7.946 5.845 877 HA SER 106 HA SER 106 -4.103 -7.917 8.737 878 1HB SER 106 1HB SER 106 -6.138 -7.335 7.507 879 2HB SER 106 2HB SER 106 -6.211 -8.946 6.801 880 HG SER 106 HG SER 106 -7.584 -8.838 8.580 881 H THR 107 H THR 107 -4.271 -10.619 6.373 882 HA THR 107 HA THR 107 -4.389 -12.683 8.437 883 HB THR 107 HB THR 107 -3.401 -12.921 5.570 884 HG1 THR 107 HG1 THR 107 -5.489 -13.066 4.979 885 1HG2 THR 107 1HG2 THR 107 -4.534 -15.212 5.890 886 2HG2 THR 107 2HG2 THR 107 -4.513 -14.844 7.615 887 3HG2 THR 107 3HG2 THR 107 -2.998 -14.954 6.718 888 H MET 108 H MET 108 -1.715 -11.112 6.619 889 HA MET 108 HA MET 108 0.336 -12.887 7.700 890 1HB MET 108 1HB MET 108 0.344 -10.157 6.383 891 2HB MET 108 2HB MET 108 1.830 -10.948 6.911 892 1HG MET 108 1HG MET 108 1.698 -12.585 5.295 893 2HG MET 108 2HG MET 108 -0.063 -12.576 5.286 894 1HE MET 108 1HE MET 108 0.983 -13.145 3.092 895 2HE MET 108 2HE MET 108 1.980 -12.068 2.118 896 3HE MET 108 3HE MET 108 0.235 -12.098 1.879 897 H MET 109 H MET 109 -1.073 -9.742 8.718 898 HA MET 109 HA MET 109 0.793 -9.124 10.816 899 1HB MET 109 1HB MET 109 -1.007 -7.611 9.961 900 2HB MET 109 2HB MET 109 -2.218 -8.648 10.713 901 1HG MET 109 1HG MET 109 0.003 -7.674 12.449 902 2HG MET 109 2HG MET 109 -1.216 -6.495 11.966 903 1HE MET 109 1HE MET 109 -2.184 -6.757 15.250 904 2HE MET 109 2HE MET 109 -3.536 -6.439 14.167 905 3HE MET 109 3HE MET 109 -1.926 -5.863 13.746 906 H SER 110 H SER 110 -2.111 -11.281 10.818 907 HA SER 110 HA SER 110 -2.202 -11.824 13.622 908 1HB SER 110 1HB SER 110 -2.729 -13.633 11.237 909 2HB SER 110 2HB SER 110 -3.188 -14.032 12.889 910 HG SER 110 HG SER 110 -4.922 -13.044 11.877 911 H VAL 111 H VAL 111 0.076 -13.066 11.171 912 HA VAL 111 HA VAL 111 1.203 -15.077 12.998 913 HB VAL 111 HB VAL 111 2.275 -13.909 10.404 914 1HG1 VAL 111 1HG1 VAL 111 2.913 -16.496 11.858 915 2HG1 VAL 111 2HG1 VAL 111 3.979 -15.095 11.744 916 3HG1 VAL 111 3HG1 VAL 111 3.567 -16.010 10.294 917 1HG2 VAL 111 1HG2 VAL 111 1.332 -16.191 9.568 918 2HG2 VAL 111 2HG2 VAL 111 0.198 -14.867 9.836 919 3HG2 VAL 111 3HG2 VAL 111 0.358 -16.149 11.037 920 H HIS 112 H HIS 112 1.638 -11.623 12.714 921 HA HIS 112 HA HIS 112 4.405 -11.703 13.706 922 1HB HIS 112 1HB HIS 112 4.464 -9.573 12.886 923 2HB HIS 112 2HB HIS 112 2.960 -10.013 12.093 924 HD1 HIS 112 HD1 HIS 112 0.762 -9.549 13.902 925 HD2 HIS 112 HD2 HIS 112 4.189 -7.280 14.235 926 HE1 HIS 112 HE1 HIS 112 0.109 -7.494 15.211 927 H ARG 113 H ARG 113 1.130 -11.503 15.054 928 HA ARG 113 HA ARG 113 2.189 -10.486 17.644 929 1HB ARG 113 1HB ARG 113 -0.121 -10.031 16.291 930 2HB ARG 113 2HB ARG 113 -0.643 -11.348 17.344 931 1HG ARG 113 1HG ARG 113 -0.197 -10.133 19.300 932 2HG ARG 113 2HG ARG 113 0.905 -9.029 18.477 933 1HD ARG 113 1HD ARG 113 -0.944 -7.955 17.314 934 2HD ARG 113 2HD ARG 113 -2.089 -9.143 17.968 935 HE ARG 113 HE ARG 113 -0.674 -7.066 19.569 936 1HH1 ARG 113 1HH1 ARG 113 -3.660 -7.153 19.370 937 2HH1 ARG 113 2HH1 ARG 113 -4.100 -7.955 20.841 938 1HH2 ARG 113 1HH2 ARG 113 -0.913 -9.188 21.433 939 2HH2 ARG 113 2HH2 ARG 113 -2.545 -9.108 22.009 940 H GLY 114 H GLY 114 0.989 -13.537 16.190 941 1HA GLY 114 1HA GLY 114 0.418 -15.031 18.492 942 2HA GLY 114 2HA GLY 114 1.091 -15.721 17.019 943 H GLU 115 H GLU 115 3.635 -14.160 17.185 944 HA GLU 115 HA GLU 115 4.929 -15.829 19.301 945 1HB GLU 115 1HB GLU 115 5.799 -14.445 16.769 946 2HB GLU 115 2HB GLU 115 7.004 -14.920 17.966 947 1HG GLU 115 1HG GLU 115 4.948 -16.806 16.781 948 2HG GLU 115 2HG GLU 115 6.613 -16.671 16.216 949 H VAL 116 H VAL 116 3.680 -13.904 20.681 950 HA VAL 116 HA VAL 116 5.805 -11.859 21.238 951 HB VAL 116 HB VAL 116 2.784 -11.531 21.176 952 1HG1 VAL 116 1HG1 VAL 116 3.882 -10.153 22.923 953 2HG1 VAL 116 2HG1 VAL 116 3.246 -9.155 21.615 954 3HG1 VAL 116 3HG1 VAL 116 4.974 -9.497 21.703 955 1HG2 VAL 116 1HG2 VAL 116 3.819 -11.662 18.936 956 2HG2 VAL 116 2HG2 VAL 116 4.971 -10.407 19.394 957 3HG2 VAL 116 3HG2 VAL 116 3.253 -10.025 19.269 958 HA PRO 117 HA PRO 117 4.974 -14.080 25.141 959 1HB PRO 117 1HB PRO 117 7.319 -13.373 26.366 960 2HB PRO 117 2HB PRO 117 7.193 -14.732 25.232 961 1HG PRO 117 1HG PRO 117 8.207 -11.971 24.771 962 2HG PRO 117 2HG PRO 117 8.822 -13.516 24.162 963 1HD PRO 117 1HD PRO 117 7.322 -11.815 22.661 964 2HD PRO 117 2HD PRO 117 7.328 -13.577 22.424 965 H CYS 118 H CYS 118 4.528 -13.229 27.349 966 HA CYS 118 HA CYS 118 4.322 -10.233 27.406 967 1HB CYS 118 1HB CYS 118 2.603 -12.440 28.584 968 2HB CYS 118 2HB CYS 118 2.349 -10.722 28.895 969 HG CYS 118 HG CYS 118 1.139 -10.610 26.746 970 H THR 119 H THR 119 4.687 -9.222 29.549 971 HA THR 119 HA THR 119 5.926 -10.978 31.618 972 HB THR 119 HB THR 119 7.315 -8.435 30.888 973 HG1 THR 119 HG1 THR 119 8.298 -9.367 29.154 974 1HG2 THR 119 1HG2 THR 119 9.293 -9.964 31.344 975 2HG2 THR 119 2HG2 THR 119 8.123 -11.202 31.803 976 3HG2 THR 119 3HG2 THR 119 8.215 -9.694 32.714 977 H VAL 120 H VAL 120 5.387 -7.456 30.910 978 HA VAL 120 HA VAL 120 4.469 -5.764 32.272 979 HB VAL 120 HB VAL 120 2.926 -8.177 33.291 980 1HG1 VAL 120 1HG1 VAL 120 1.164 -6.193 33.460 981 2HG1 VAL 120 2HG1 VAL 120 2.623 -5.216 33.617 982 3HG1 VAL 120 3HG1 VAL 120 2.299 -6.508 34.772 983 1HG2 VAL 120 1HG2 VAL 120 2.511 -8.175 30.992 984 2HG2 VAL 120 2HG2 VAL 120 2.703 -6.427 30.858 985 3HG2 VAL 120 3HG2 VAL 120 1.238 -7.100 31.572 986 1H GLN 1 1H GLN 1 9.886 -2.051 -26.055 987 2H GLN 1 2H GLN 1 9.555 -3.698 -25.801 988 3H GLN 1 3H GLN 1 11.138 -3.108 -25.617 989 HA GLN 1 HA GLN 1 10.528 -1.853 -23.678 990 1HB GLN 1 1HB GLN 1 8.308 -1.275 -24.690 991 2HB GLN 1 2HB GLN 1 7.746 -2.900 -24.298 992 1HG GLN 1 1HG GLN 1 7.008 -1.504 -22.502 993 2HG GLN 1 2HG GLN 1 8.396 -2.399 -21.881 994 1HE2 GLN 1 1HE2 GLN 1 7.718 0.751 -23.577 995 2HE2 GLN 1 2HE2 GLN 1 8.905 1.610 -22.721 996 H LYS 2 H LYS 2 10.779 -2.942 -21.649 997 HA LYS 2 HA LYS 2 10.164 -5.879 -21.636 998 1HB LYS 2 1HB LYS 2 12.693 -4.356 -21.260 999 2HB LYS 2 2HB LYS 2 12.427 -5.703 -20.152 1000 1HG LYS 2 1HG LYS 2 11.722 -6.911 -22.450 1001 2HG LYS 2 2HG LYS 2 12.862 -5.733 -23.097 1002 1HD LYS 2 1HD LYS 2 13.486 -7.575 -20.773 1003 2HD LYS 2 2HD LYS 2 13.922 -7.923 -22.446 1004 1HE LYS 2 1HE LYS 2 15.215 -5.787 -22.528 1005 2HE LYS 2 2HE LYS 2 14.843 -5.533 -20.811 1006 1HZ LYS 2 1HZ LYS 2 16.200 -7.916 -21.959 1007 2HZ LYS 2 2HZ LYS 2 15.807 -7.700 -20.321 1008 3HZ LYS 2 3HZ LYS 2 16.953 -6.690 -21.064 1009 H THR 3 H THR 3 9.406 -6.667 -19.594 1010 HA THR 3 HA THR 3 9.377 -4.742 -17.308 1011 HB THR 3 HB THR 3 6.939 -5.305 -17.039 1012 HG1 THR 3 HG1 THR 3 5.945 -6.470 -18.583 1013 1HG2 THR 3 1HG2 THR 3 7.521 -4.188 -19.787 1014 2HG2 THR 3 2HG2 THR 3 7.829 -3.280 -18.308 1015 3HG2 THR 3 3HG2 THR 3 6.186 -3.776 -18.712 1016 H GLY 4 H GLY 4 8.194 -6.107 -15.350 1017 1HA GLY 4 1HA GLY 4 7.966 -8.659 -14.812 1018 2HA GLY 4 2HA GLY 4 9.675 -8.693 -15.251 1019 H THR 5 H THR 5 7.917 -8.859 -12.568 1020 HA THR 5 HA THR 5 9.667 -6.983 -11.007 1021 HB THR 5 HB THR 5 6.931 -8.139 -10.373 1022 HG1 THR 5 HG1 THR 5 6.647 -6.671 -11.956 1023 1HG2 THR 5 1HG2 THR 5 8.177 -7.621 -8.353 1024 2HG2 THR 5 2HG2 THR 5 6.955 -6.373 -8.598 1025 3HG2 THR 5 3HG2 THR 5 8.641 -6.047 -9.001 1026 H ALA 6 H ALA 6 11.026 -7.952 -9.464 1027 HA ALA 6 HA ALA 6 10.551 -10.858 -8.873 1028 1HB ALA 6 1HB ALA 6 13.268 -9.622 -8.742 1029 2HB ALA 6 2HB ALA 6 12.564 -9.857 -10.342 1030 3HB ALA 6 3HB ALA 6 12.799 -11.238 -9.270 1031 H GLU 7 H GLU 7 9.242 -9.635 -7.009 1032 HA GLU 7 HA GLU 7 9.112 -9.032 -4.733 1033 1HB GLU 7 1HB GLU 7 11.794 -10.460 -4.772 1034 2HB GLU 7 2HB GLU 7 10.825 -10.149 -3.332 1035 1HG GLU 7 1HG GLU 7 8.953 -11.447 -4.379 1036 2HG GLU 7 2HG GLU 7 10.040 -11.862 -5.705 1037 H VAL 8 H VAL 8 10.142 -6.979 -6.492 1038 HA VAL 8 HA VAL 8 12.579 -5.771 -5.547 1039 HB VAL 8 HB VAL 8 10.064 -4.471 -6.668 1040 1HG1 VAL 8 1HG1 VAL 8 12.101 -2.919 -7.521 1041 2HG1 VAL 8 2HG1 VAL 8 12.783 -3.466 -5.989 1042 3HG1 VAL 8 3HG1 VAL 8 11.241 -2.609 -6.011 1043 1HG2 VAL 8 1HG2 VAL 8 11.810 -4.531 -8.721 1044 2HG2 VAL 8 2HG2 VAL 8 10.682 -5.850 -8.406 1045 3HG2 VAL 8 3HG2 VAL 8 12.352 -5.969 -7.855 1046 H SER 9 H SER 9 9.192 -5.458 -4.386 1047 HA SER 9 HA SER 9 9.584 -3.363 -2.486 1048 1HB SER 9 1HB SER 9 7.738 -5.728 -2.710 1049 2HB SER 9 2HB SER 9 7.711 -4.760 -1.240 1050 HG SER 9 HG SER 9 7.185 -3.986 -3.908 1051 H SER 10 H SER 10 10.392 -6.847 -2.255 1052 HA SER 10 HA SER 10 10.926 -6.876 0.590 1053 1HB SER 10 1HB SER 10 10.640 -8.930 -0.711 1054 2HB SER 10 2HB SER 10 12.030 -8.526 -1.715 1055 HG SER 10 HG SER 10 12.656 -9.962 -0.100 1056 H ILE 11 H ILE 11 13.222 -6.612 -2.198 1057 HA ILE 11 HA ILE 11 15.542 -6.104 -0.590 1058 HB ILE 11 HB ILE 11 16.511 -5.189 -2.681 1059 1HG1 ILE 11 1HG1 ILE 11 13.816 -5.567 -3.985 1060 2HG1 ILE 11 2HG1 ILE 11 14.270 -4.015 -3.282 1061 1HG2 ILE 11 1HG2 ILE 11 14.764 -7.455 -3.571 1062 2HG2 ILE 11 2HG2 ILE 11 15.881 -7.718 -2.232 1063 3HG2 ILE 11 3HG2 ILE 11 16.495 -7.218 -3.808 1064 1HD1 ILE 11 1HD1 ILE 11 14.796 -4.373 -5.781 1065 2HD1 ILE 11 2HD1 ILE 11 16.076 -5.450 -5.225 1066 3HD1 ILE 11 3HD1 ILE 11 16.095 -3.748 -4.766 1067 H LEU 12 H LEU 12 12.928 -3.896 -1.593 1068 HA LEU 12 HA LEU 12 14.348 -1.435 -0.993 1069 1HB LEU 12 1HB LEU 12 12.020 -2.008 -2.210 1070 2HB LEU 12 2HB LEU 12 11.387 -1.651 -0.603 1071 HG LEU 12 HG LEU 12 13.396 0.248 -1.713 1072 1HD1 LEU 12 1HD1 LEU 12 11.530 -0.463 -3.481 1073 2HD1 LEU 12 2HD1 LEU 12 12.022 1.220 -3.298 1074 3HD1 LEU 12 3HD1 LEU 12 10.546 0.644 -2.524 1075 1HD2 LEU 12 1HD2 LEU 12 10.767 0.598 -0.234 1076 2HD2 LEU 12 2HD2 LEU 12 11.965 1.856 -0.531 1077 3HD2 LEU 12 3HD2 LEU 12 12.351 0.504 0.532 1078 H GLU 13 H GLU 13 12.329 -3.656 0.986 1079 HA GLU 13 HA GLU 13 12.104 -2.031 3.330 1080 1HB GLU 13 1HB GLU 13 10.933 -4.204 2.908 1081 2HB GLU 13 2HB GLU 13 12.462 -5.047 3.159 1082 1HG GLU 13 1HG GLU 13 11.614 -3.137 5.283 1083 2HG GLU 13 2HG GLU 13 10.707 -4.645 5.156 1084 H GLU 14 H GLU 14 14.775 -4.191 2.270 1085 HA GLU 14 HA GLU 14 16.347 -4.089 4.663 1086 1HB GLU 14 1HB GLU 14 16.755 -5.551 2.665 1087 2HB GLU 14 2HB GLU 14 17.319 -4.132 1.781 1088 1HG GLU 14 1HG GLU 14 18.883 -3.863 3.919 1089 2HG GLU 14 2HG GLU 14 18.621 -5.603 4.034 1090 H ARG 15 H ARG 15 16.164 -1.776 1.922 1091 HA ARG 15 HA ARG 15 18.354 -0.089 2.642 1092 1HB ARG 15 1HB ARG 15 16.983 0.027 0.539 1093 2HB ARG 15 2HB ARG 15 15.673 0.747 1.476 1094 1HG ARG 15 1HG ARG 15 17.636 2.398 2.235 1095 2HG ARG 15 2HG ARG 15 18.297 1.921 0.671 1096 1HD ARG 15 1HD ARG 15 16.482 2.829 -0.520 1097 2HD ARG 15 2HD ARG 15 15.416 2.796 0.900 1098 HE ARG 15 HE ARG 15 16.926 4.580 1.882 1099 1HH1 ARG 15 1HH2 ARG 15 15.337 5.766 -0.352 1100 2HH1 ARG 15 2HH2 ARG 15 16.560 6.542 -1.302 1101 1HH2 ARG 15 1HH1 ARG 15 19.179 4.803 0.161 1102 2HH2 ARG 15 2HH1 ARG 15 18.734 5.998 -1.011 1103 H ILE 16 H ILE 16 15.020 -0.194 3.962 1104 HA ILE 16 HA ILE 16 15.600 2.172 5.680 1105 HB ILE 16 HB ILE 16 13.130 0.418 5.411 1106 1HG1 ILE 16 1HG1 ILE 16 13.551 3.188 4.270 1107 2HG1 ILE 16 2HG1 ILE 16 13.931 1.734 3.347 1108 1HG2 ILE 16 1HG2 ILE 16 13.371 3.216 6.542 1109 2HG2 ILE 16 2HG2 ILE 16 13.403 1.766 7.545 1110 3HG2 ILE 16 3HG2 ILE 16 11.965 2.151 6.600 1111 1HD1 ILE 16 1HD1 ILE 16 11.742 1.944 2.697 1112 2HD1 ILE 16 2HD1 ILE 16 11.286 2.825 4.156 1113 3HD1 ILE 16 3HD1 ILE 16 11.460 1.071 4.204 1114 H LEU 17 H LEU 17 14.729 -1.315 6.071 1115 HA LEU 17 HA LEU 17 15.806 -1.134 8.869 1116 1HB LEU 17 1HB LEU 17 13.248 -1.768 7.956 1117 2HB LEU 17 2HB LEU 17 13.977 -3.346 8.252 1118 HG LEU 17 HG LEU 17 14.735 -2.378 10.515 1119 1HD1 LEU 17 1HD1 LEU 17 12.682 -0.326 9.643 1120 2HD1 LEU 17 2HD1 LEU 17 14.358 -0.030 10.107 1121 3HD1 LEU 17 3HD1 LEU 17 13.185 -0.544 11.319 1122 1HD2 LEU 17 1HD2 LEU 17 12.732 -3.115 11.543 1123 2HD2 LEU 17 2HD2 LEU 17 12.753 -3.968 9.999 1124 3HD2 LEU 17 3HD2 LEU 17 11.735 -2.544 10.206 1125 H GLY 18 H GLY 18 17.953 -1.912 8.455 1126 1HA GLY 18 1HA GLY 18 18.075 -4.717 7.430 1127 2HA GLY 18 2HA GLY 18 19.225 -3.508 6.856 1128 H ALA 19 H ALA 19 20.454 -2.324 8.737 1129 HA ALA 19 HA ALA 19 20.879 -4.148 11.067 1130 1HB ALA 19 1HB ALA 19 22.434 -4.329 8.889 1131 2HB ALA 19 2HB ALA 19 23.095 -4.516 10.513 1132 3HB ALA 19 3HB ALA 19 23.246 -2.973 9.672 1133 H ASP 20 H ASP 20 22.103 -3.011 12.855 1134 HA ASP 20 HA ASP 20 21.729 -0.034 12.703 1135 1HB ASP 20 1HB ASP 20 20.391 -1.719 14.275 1136 2HB ASP 20 2HB ASP 20 21.842 -1.576 15.270 1137 H THR 21 H THR 21 23.670 -2.498 14.528 1138 HA THR 21 HA THR 21 25.986 -0.593 14.374 1139 HB THR 21 HB THR 21 26.602 -2.044 16.496 1140 HG1 THR 21 HG1 THR 21 24.986 -3.530 16.395 1141 1HG2 THR 21 1HG2 THR 21 26.003 0.393 16.431 1142 2HG2 THR 21 2HG2 THR 21 25.466 -0.427 17.897 1143 3HG2 THR 21 3HG2 THR 21 24.310 -0.068 16.614 1144 H SER 22 H SER 22 26.866 -1.557 12.394 1145 HA SER 22 HA SER 22 28.017 -4.291 12.830 1146 1HB SER 22 1HB SER 22 25.937 -4.254 11.397 1147 2HB SER 22 2HB SER 22 26.800 -3.221 10.263 1148 HG SER 22 HG SER 22 27.142 -5.261 9.551 1149 H VAL 23 H VAL 23 30.255 -4.076 12.697 1150 HA VAL 23 HA VAL 23 31.379 -2.357 10.539 1151 HB VAL 23 HB VAL 23 31.125 -0.956 12.555 1152 1HG1 VAL 23 1HG1 VAL 23 31.181 -2.819 14.205 1153 2HG1 VAL 23 2HG1 VAL 23 32.297 -1.520 14.627 1154 3HG1 VAL 23 3HG1 VAL 23 32.907 -3.007 13.904 1155 1HG2 VAL 23 1HG2 VAL 23 33.234 -0.010 12.425 1156 2HG2 VAL 23 2HG2 VAL 23 33.293 -1.058 11.007 1157 3HG2 VAL 23 3HG2 VAL 23 34.054 -1.570 12.514 1158 H ASP 24 H ASP 24 31.400 -5.157 10.461 1159 HA ASP 24 HA ASP 24 34.300 -5.732 10.868 1160 1HB ASP 24 1HB ASP 24 32.463 -6.502 12.700 1161 2HB ASP 24 2HB ASP 24 32.352 -7.865 11.586 1162 H LEU 25 H LEU 25 35.028 -7.598 9.504 1163 HA LEU 25 HA LEU 25 35.076 -8.745 7.444 1164 1HB LEU 25 1HB LEU 25 32.404 -9.136 8.694 1165 2HB LEU 25 2HB LEU 25 32.555 -9.630 7.007 1166 HG LEU 25 HG LEU 25 34.813 -10.725 7.915 1167 1HD1 LEU 25 1HD1 LEU 25 34.532 -11.590 10.181 1168 2HD1 LEU 25 2HD1 LEU 25 32.964 -10.793 10.319 1169 3HD1 LEU 25 3HD1 LEU 25 34.437 -9.830 10.216 1170 1HD2 LEU 25 1HD2 LEU 25 33.282 -12.152 6.862 1171 2HD2 LEU 25 2HD2 LEU 25 31.978 -11.730 7.971 1172 3HD2 LEU 25 3HD2 LEU 25 33.288 -12.781 8.509 Start of MODEL 26 1 1H PHE 1 1H PHE 1 9.194 -44.040 -1.544 2 2H PHE 1 2H PHE 1 8.326 -45.472 -1.256 3 3H PHE 1 3H PHE 1 8.896 -44.544 0.048 4 HA PHE 1 HA PHE 1 6.793 -43.724 -1.895 5 1HB PHE 1 1HB PHE 1 6.640 -45.507 0.139 6 2HB PHE 1 2HB PHE 1 6.383 -44.013 1.040 7 HD1 PHE 1 HD1 PHE 1 4.303 -42.888 0.963 8 HD2 PHE 1 HD2 PHE 1 5.189 -45.943 -1.924 9 HE1 PHE 1 HE1 PHE 1 1.961 -42.801 0.151 10 HE2 PHE 1 HE2 PHE 1 2.847 -45.856 -2.736 11 HZ PHE 1 HZ PHE 1 1.234 -44.284 -1.699 12 H ALA 2 H ALA 2 5.629 -41.698 -0.876 13 HA ALA 2 HA ALA 2 7.731 -39.852 0.217 14 1HB ALA 2 1HB ALA 2 6.602 -38.125 -1.047 15 2HB ALA 2 2HB ALA 2 5.242 -39.195 -1.389 16 3HB ALA 2 3HB ALA 2 6.815 -39.504 -2.125 17 H LYS 3 H LYS 3 6.050 -37.746 1.021 18 HA LYS 3 HA LYS 3 4.444 -39.046 3.200 19 1HB LYS 3 1HB LYS 3 6.278 -36.693 2.992 20 2HB LYS 3 2HB LYS 3 4.938 -36.581 4.134 21 1HG LYS 3 1HG LYS 3 6.547 -37.569 5.481 22 2HG LYS 3 2HG LYS 3 5.756 -39.003 4.829 23 1HD LYS 3 1HD LYS 3 7.486 -38.945 2.954 24 2HD LYS 3 2HD LYS 3 8.349 -37.744 3.915 25 1HE LYS 3 1HE LYS 3 9.365 -39.632 4.778 26 2HE LYS 3 2HE LYS 3 7.924 -39.643 5.815 27 1HZ LYS 3 1HZ LYS 3 8.296 -41.076 3.241 28 2HZ LYS 3 2HZ LYS 3 6.795 -40.926 4.023 29 3HZ LYS 3 3HZ LYS 3 8.067 -41.767 4.772 30 H LEU 4 H LEU 4 4.533 -35.783 1.629 31 HA LEU 4 HA LEU 4 1.758 -36.066 0.697 32 1HB LEU 4 1HB LEU 4 2.183 -35.391 3.350 33 2HB LEU 4 2HB LEU 4 1.984 -33.816 2.583 34 HG LEU 4 HG LEU 4 -0.111 -34.701 1.491 35 1HD1 LEU 4 1HD1 LEU 4 0.293 -37.076 1.600 36 2HD1 LEU 4 2HD1 LEU 4 -1.096 -36.738 2.632 37 3HD1 LEU 4 3HD1 LEU 4 0.490 -37.018 3.351 38 1HD2 LEU 4 1HD2 LEU 4 -1.450 -34.641 3.628 39 2HD2 LEU 4 2HD2 LEU 4 -0.309 -33.306 3.463 40 3HD2 LEU 4 3HD2 LEU 4 0.072 -34.666 4.519 41 H VAL 5 H VAL 5 1.558 -34.757 -1.132 42 HA VAL 5 HA VAL 5 3.430 -32.418 -1.361 43 HB VAL 5 HB VAL 5 2.366 -34.333 -3.469 44 1HG1 VAL 5 1HG1 VAL 5 4.230 -31.949 -3.645 45 2HG1 VAL 5 2HG1 VAL 5 2.682 -32.153 -4.463 46 3HG1 VAL 5 3HG1 VAL 5 4.060 -33.151 -4.926 47 1HG2 VAL 5 1HG2 VAL 5 4.310 -34.891 -1.688 48 2HG2 VAL 5 2HG2 VAL 5 5.271 -34.014 -2.878 49 3HG2 VAL 5 3HG2 VAL 5 4.373 -35.454 -3.357 50 H ARG 6 H ARG 6 2.005 -30.680 -0.871 51 HA ARG 6 HA ARG 6 -0.573 -30.597 -2.410 52 1HB ARG 6 1HB ARG 6 0.270 -29.936 0.362 53 2HB ARG 6 2HB ARG 6 -0.884 -28.826 -0.375 54 1HG ARG 6 1HG ARG 6 -2.410 -30.660 -0.860 55 2HG ARG 6 2HG ARG 6 -1.236 -31.834 -0.265 56 1HD ARG 6 1HD ARG 6 -1.733 -31.402 1.927 57 2HD ARG 6 2HD ARG 6 -1.920 -29.661 1.639 58 HE ARG 6 HE ARG 6 -4.135 -30.245 0.544 59 1HH1 ARG 6 1HH2 ARG 6 -3.222 -31.341 3.534 60 2HH1 ARG 6 2HH2 ARG 6 -4.394 -32.610 3.647 61 1HH2 ARG 6 1HH1 ARG 6 -5.391 -32.343 0.336 62 2HH2 ARG 6 2HH1 ARG 6 -5.623 -33.177 1.837 63 HA PRO 7 HA PRO 7 0.865 -26.901 -4.327 64 1HB PRO 7 1HB PRO 7 -1.376 -25.332 -4.434 65 2HB PRO 7 2HB PRO 7 -1.145 -26.760 -5.464 66 1HG PRO 7 1HG PRO 7 -2.753 -26.460 -2.980 67 2HG PRO 7 2HG PRO 7 -3.111 -27.372 -4.454 68 1HD PRO 7 1HD PRO 7 -2.201 -28.519 -2.150 69 2HD PRO 7 2HD PRO 7 -1.918 -29.198 -3.768 70 HA PRO 8 HA PRO 8 1.803 -24.203 -0.912 71 1HB PRO 8 1HB PRO 8 3.092 -22.205 -2.264 72 2HB PRO 8 2HB PRO 8 3.837 -23.782 -1.934 73 1HG PRO 8 1HG PRO 8 2.607 -22.757 -4.438 74 2HG PRO 8 2HG PRO 8 4.027 -23.790 -4.217 75 1HD PRO 8 1HD PRO 8 1.561 -24.716 -4.966 76 2HD PRO 8 2HD PRO 8 2.781 -25.700 -4.129 77 H VAL 9 H VAL 9 -0.094 -23.196 -0.112 78 HA VAL 9 HA VAL 9 -1.071 -20.808 -1.642 79 HB VAL 9 HB VAL 9 -2.693 -22.941 -0.207 80 1HG1 VAL 9 1HG1 VAL 9 -3.964 -20.981 0.005 81 2HG1 VAL 9 2HG1 VAL 9 -4.562 -21.655 -1.510 82 3HG1 VAL 9 3HG1 VAL 9 -3.396 -20.333 -1.534 83 1HG2 VAL 9 1HG2 VAL 9 -3.410 -23.645 -2.400 84 2HG2 VAL 9 2HG2 VAL 9 -1.648 -23.579 -2.432 85 3HG2 VAL 9 3HG2 VAL 9 -2.593 -22.281 -3.164 86 H GLN 10 H GLN 10 0.353 -19.615 -0.029 87 HA GLN 10 HA GLN 10 -0.766 -19.627 2.754 88 1HB GLN 10 1HB GLN 10 1.831 -19.697 1.718 89 2HB GLN 10 2HB GLN 10 1.634 -18.030 2.255 90 1HG GLN 10 1HG GLN 10 0.643 -19.101 4.421 91 2HG GLN 10 2HG GLN 10 1.466 -20.562 3.873 92 1HE2 GLN 10 1HE2 GLN 10 2.127 -17.067 4.577 93 2HE2 GLN 10 2HE2 GLN 10 3.745 -17.327 5.023 94 H ILE 11 H ILE 11 0.362 -17.297 0.217 95 HA ILE 11 HA ILE 11 -1.450 -15.282 1.485 96 HB ILE 11 HB ILE 11 0.983 -14.872 1.463 97 1HG1 ILE 11 1HG1 ILE 11 0.829 -12.560 0.512 98 2HG1 ILE 11 2HG1 ILE 11 -0.729 -12.996 -0.186 99 1HG2 ILE 11 1HG2 ILE 11 1.902 -14.117 -0.828 100 2HG2 ILE 11 2HG2 ILE 11 0.554 -15.013 -1.522 101 3HG2 ILE 11 3HG2 ILE 11 1.762 -15.850 -0.549 102 1HD1 ILE 11 1HD1 ILE 11 -0.326 -11.961 2.365 103 2HD1 ILE 11 2HD1 ILE 11 -0.562 -13.683 2.655 104 3HD1 ILE 11 3HD1 ILE 11 -1.792 -12.756 1.797 105 H TYR 12 H TYR 12 -1.379 -17.309 -1.275 106 HA TYR 12 HA TYR 12 -2.377 -17.174 -3.413 107 1HB TYR 12 1HB TYR 12 -4.877 -16.364 -2.933 108 2HB TYR 12 2HB TYR 12 -4.274 -17.882 -2.281 109 HD1 TYR 12 HD1 TYR 12 -3.450 -17.971 0.096 110 HD2 TYR 12 HD2 TYR 12 -5.501 -14.542 -1.489 111 HE1 TYR 12 HE1 TYR 12 -3.793 -17.121 2.389 112 HE2 TYR 12 HE2 TYR 12 -5.871 -13.707 0.815 113 HH TYR 12 HH TYR 12 -4.281 -14.406 3.299 114 H GLY 13 H GLY 13 -0.880 -15.307 -4.160 115 1HA GLY 13 1HA GLY 13 -1.595 -13.555 -5.864 116 2HA GLY 13 2HA GLY 13 -2.515 -12.832 -4.546 117 H ILE 14 H ILE 14 0.435 -12.707 -6.192 118 HA ILE 14 HA ILE 14 2.409 -12.124 -4.262 119 HB ILE 14 HB ILE 14 2.810 -12.170 -6.700 120 1HG1 ILE 14 1HG1 ILE 14 4.294 -10.201 -6.871 121 2HG1 ILE 14 2HG1 ILE 14 3.486 -9.466 -5.488 122 1HG2 ILE 14 1HG2 ILE 14 0.808 -11.089 -7.525 123 2HG2 ILE 14 2HG2 ILE 14 2.189 -10.119 -8.032 124 3HG2 ILE 14 3HG2 ILE 14 1.203 -9.600 -6.667 125 1HD1 ILE 14 1HD1 ILE 14 5.735 -11.037 -5.326 126 2HD1 ILE 14 2HD1 ILE 14 4.456 -12.203 -4.988 127 3HD1 ILE 14 3HD1 ILE 14 4.612 -10.752 -3.996 128 H GLU 15 H GLU 15 -0.347 -10.061 -5.228 129 HA GLU 15 HA GLU 15 0.469 -7.567 -4.146 130 1HB GLU 15 1HB GLU 15 -2.058 -8.919 -4.811 131 2HB GLU 15 2HB GLU 15 -2.237 -7.789 -3.475 132 1HG GLU 15 1HG GLU 15 -2.475 -6.260 -5.159 133 2HG GLU 15 2HG GLU 15 -0.710 -6.291 -5.146 134 H GLY 16 H GLY 16 -0.747 -10.469 -2.422 135 1HA GLY 16 1HA GLY 16 -1.083 -9.213 0.134 136 2HA GLY 16 2HA GLY 16 -0.788 -10.936 -0.120 137 H ARG 17 H ARG 17 1.756 -10.767 -1.429 138 HA ARG 17 HA ARG 17 3.548 -10.570 0.813 139 1HB ARG 17 1HB ARG 17 3.803 -10.776 -2.168 140 2HB ARG 17 2HB ARG 17 5.247 -10.368 -1.241 141 1HG ARG 17 1HG ARG 17 5.019 -12.373 0.106 142 2HG ARG 17 2HG ARG 17 3.469 -12.751 -0.648 143 1HD ARG 17 1HD ARG 17 4.452 -13.448 -2.638 144 2HD ARG 17 2HD ARG 17 5.875 -12.410 -2.415 145 HE ARG 17 HE ARG 17 5.377 -14.827 -0.714 146 1HH1 ARG 17 1HH1 ARG 17 7.549 -12.903 0.070 147 2HH1 ARG 17 2HH1 ARG 17 8.944 -13.620 -0.664 148 1HH2 ARG 17 1HH2 ARG 17 7.109 -15.666 -2.779 149 2HH2 ARG 17 2HH2 ARG 17 8.696 -15.184 -2.277 150 H TYR 18 H TYR 18 2.612 -8.142 -1.653 151 HA TYR 18 HA TYR 18 4.609 -6.177 -1.180 152 1HB TYR 18 1HB TYR 18 1.781 -6.216 -2.096 153 2HB TYR 18 2HB TYR 18 2.341 -4.663 -1.492 154 HD1 TYR 18 HD1 TYR 18 4.178 -7.355 -3.357 155 HD2 TYR 18 HD2 TYR 18 2.704 -3.317 -3.366 156 HE1 TYR 18 HE1 TYR 18 5.325 -6.940 -5.516 157 HE2 TYR 18 HE2 TYR 18 3.852 -2.905 -5.522 158 HH TYR 18 HH TYR 18 4.696 -4.890 -7.567 159 H ALA 19 H ALA 19 1.677 -6.926 0.747 160 HA ALA 19 HA ALA 19 2.111 -4.701 2.612 161 1HB ALA 19 1HB ALA 19 0.514 -6.367 3.994 162 2HB ALA 19 2HB ALA 19 0.304 -7.081 2.394 163 3HB ALA 19 3HB ALA 19 -0.105 -5.387 2.664 164 H THR 20 H THR 20 2.911 -8.213 2.587 165 HA THR 20 HA THR 20 4.040 -8.111 5.270 166 HB THR 20 HB THR 20 5.125 -10.332 3.936 167 HG1 THR 20 HG1 THR 20 3.302 -11.122 2.820 168 1HG2 THR 20 1HG2 THR 20 4.201 -10.416 6.163 169 2HG2 THR 20 2HG2 THR 20 3.252 -11.516 5.163 170 3HG2 THR 20 3HG2 THR 20 2.612 -9.922 5.575 171 H ALA 21 H ALA 21 5.398 -7.680 2.001 172 HA ALA 21 HA ALA 21 8.153 -7.665 3.043 173 1HB ALA 21 1HB ALA 21 8.671 -7.746 0.827 174 2HB ALA 21 2HB ALA 21 7.711 -6.309 0.480 175 3HB ALA 21 3HB ALA 21 6.940 -7.894 0.531 176 H LEU 22 H LEU 22 5.540 -5.361 2.980 177 HA LEU 22 HA LEU 22 7.447 -3.066 3.247 178 1HB LEU 22 1HB LEU 22 5.499 -2.872 1.704 179 2HB LEU 22 2HB LEU 22 4.412 -3.195 3.055 180 HG LEU 22 HG LEU 22 6.023 -1.122 4.002 181 1HD1 LEU 22 1HD1 LEU 22 6.980 -0.518 1.932 182 2HD1 LEU 22 2HD1 LEU 22 5.614 0.586 2.095 183 3HD1 LEU 22 3HD1 LEU 22 5.485 -0.828 1.048 184 1HD2 LEU 22 1HD2 LEU 22 3.242 -1.464 3.020 185 2HD2 LEU 22 2HD2 LEU 22 3.809 0.201 3.151 186 3HD2 LEU 22 3HD2 LEU 22 3.821 -0.850 4.567 187 H TYR 23 H TYR 23 4.749 -4.714 4.971 188 HA TYR 23 HA TYR 23 5.232 -3.135 7.376 189 1HB TYR 23 1HB TYR 23 3.159 -3.880 7.875 190 2HB TYR 23 2HB TYR 23 3.143 -4.698 6.327 191 HD1 TYR 23 HD1 TYR 23 4.306 -5.177 9.843 192 HD2 TYR 23 HD2 TYR 23 2.825 -6.998 6.261 193 HE1 TYR 23 HE1 TYR 23 4.183 -7.351 11.017 194 HE2 TYR 23 HE2 TYR 23 2.740 -9.177 7.398 195 HH TYR 23 HH TYR 23 4.283 -10.001 9.964 196 H SER 24 H SER 24 6.775 -5.965 5.976 197 HA SER 24 HA SER 24 7.556 -7.446 8.277 198 1HB SER 24 1HB SER 24 8.333 -8.372 6.284 199 2HB SER 24 2HB SER 24 8.772 -6.806 5.610 200 HG SER 24 HG SER 24 10.133 -8.360 7.545 201 H ALA 25 H ALA 25 8.908 -4.394 6.960 202 HA ALA 25 HA ALA 25 10.902 -4.128 9.108 203 1HB ALA 25 1HB ALA 25 9.711 -2.039 7.235 204 2HB ALA 25 2HB ALA 25 11.093 -3.057 6.830 205 3HB ALA 25 3HB ALA 25 11.216 -1.884 8.141 206 H ALA 26 H ALA 26 7.604 -2.882 8.381 207 HA ALA 26 HA ALA 26 7.266 -1.139 10.618 208 1HB ALA 26 1HB ALA 26 5.168 -3.005 9.450 209 2HB ALA 26 2HB ALA 26 5.702 -1.529 8.646 210 3HB ALA 26 3HB ALA 26 4.891 -1.438 10.209 211 H SER 27 H SER 27 6.877 -4.712 10.425 212 HA SER 27 HA SER 27 5.725 -5.205 12.996 213 1HB SER 27 1HB SER 27 6.664 -7.438 12.746 214 2HB SER 27 2HB SER 27 6.190 -6.871 11.148 215 HG SER 27 HG SER 27 8.751 -7.145 12.281 216 H LYS 28 H LYS 28 9.167 -4.689 12.091 217 HA LYS 28 HA LYS 28 10.207 -5.134 14.775 218 1HB LYS 28 1HB LYS 28 11.217 -3.845 12.238 219 2HB LYS 28 2HB LYS 28 12.164 -3.740 13.723 220 1HG LYS 28 1HG LYS 28 12.561 -6.027 13.796 221 2HG LYS 28 2HG LYS 28 11.106 -6.413 12.877 222 1HD LYS 28 1HD LYS 28 12.715 -6.767 11.249 223 2HD LYS 28 2HD LYS 28 12.361 -5.063 10.968 224 1HE LYS 28 1HE LYS 28 14.370 -4.351 11.884 225 2HE LYS 28 2HE LYS 28 14.483 -5.747 12.975 226 1HZ LYS 28 1HZ LYS 28 14.906 -7.179 11.113 227 2HZ LYS 28 2HZ LYS 28 16.022 -5.899 11.064 228 3HZ LYS 28 3HZ LYS 28 14.687 -5.906 10.014 229 H GLN 29 H GLN 29 9.065 -2.219 13.010 230 HA GLN 29 HA GLN 29 9.746 -0.501 15.336 231 1HB GLN 29 1HB GLN 29 8.493 0.038 12.627 232 2HB GLN 29 2HB GLN 29 8.857 1.292 13.813 233 1HG GLN 29 1HG GLN 29 11.249 0.516 13.801 234 2HG GLN 29 2HG GLN 29 10.837 -0.569 12.473 235 1HE2 GLN 29 1HE2 GLN 29 10.354 0.404 10.351 236 2HE2 GLN 29 2HE2 GLN 29 10.698 2.038 10.042 237 H ASN 30 H ASN 30 7.227 -2.621 14.935 238 HA ASN 30 HA ASN 30 5.094 -2.752 15.892 239 1HB ASN 30 1HB ASN 30 6.635 -1.454 17.663 240 2HB ASN 30 2HB ASN 30 5.521 -0.139 17.285 241 1HD2 ASN 30 1HD2 ASN 30 5.887 -2.959 19.226 242 2HD2 ASN 30 2HD2 ASN 30 4.262 -3.117 19.690 243 H LYS 31 H LYS 31 5.281 -1.553 13.294 244 HA LYS 31 HA LYS 31 3.368 0.742 13.462 245 1HB LYS 31 1HB LYS 31 5.504 -0.170 11.617 246 2HB LYS 31 2HB LYS 31 4.100 0.573 10.851 247 1HG LYS 31 1HG LYS 31 5.168 2.531 11.311 248 2HG LYS 31 2HG LYS 31 4.528 2.294 12.937 249 1HD LYS 31 1HD LYS 31 6.619 1.039 13.517 250 2HD LYS 31 2HD LYS 31 7.264 1.459 11.930 251 1HE LYS 31 1HE LYS 31 6.196 3.772 13.428 252 2HE LYS 31 2HE LYS 31 7.609 3.003 14.177 253 1HZ LYS 31 1HZ LYS 31 8.823 3.161 12.172 254 2HZ LYS 31 2HZ LYS 31 8.131 4.693 12.412 255 3HZ LYS 31 3HZ LYS 31 7.456 3.620 11.280 256 H LEU 32 H LEU 32 3.008 -2.559 13.299 257 HA LEU 32 HA LEU 32 1.478 -3.266 11.053 258 1HB LEU 32 1HB LEU 32 1.450 -3.963 13.977 259 2HB LEU 32 2HB LEU 32 0.132 -4.567 12.976 260 HG LEU 32 HG LEU 32 2.155 -6.113 13.212 261 1HD1 LEU 32 1HD1 LEU 32 0.369 -5.904 11.272 262 2HD1 LEU 32 2HD1 LEU 32 1.736 -7.001 11.121 263 3HD1 LEU 32 3HD1 LEU 32 1.777 -5.426 10.325 264 1HD2 LEU 32 1HD2 LEU 32 3.912 -4.408 13.018 265 2HD2 LEU 32 2HD2 LEU 32 3.402 -4.057 11.367 266 3HD2 LEU 32 3HD2 LEU 32 4.088 -5.622 11.769 267 H GLU 33 H GLU 33 0.442 -1.309 13.874 268 HA GLU 33 HA GLU 33 -2.333 -1.086 12.899 269 1HB GLU 33 1HB GLU 33 -1.510 -0.886 15.326 270 2HB GLU 33 2HB GLU 33 -0.886 0.704 14.883 271 1HG GLU 33 1HG GLU 33 -3.004 1.266 15.667 272 2HG GLU 33 2HG GLU 33 -3.328 1.062 13.944 273 H GLN 34 H GLN 34 0.639 0.936 12.852 274 HA GLN 34 HA GLN 34 -0.540 3.205 11.497 275 1HB GLN 34 1HB GLN 34 2.287 2.134 11.689 276 2HB GLN 34 2HB GLN 34 1.893 3.672 10.918 277 1HG GLN 34 1HG GLN 34 1.189 2.951 13.780 278 2HG GLN 34 2HG GLN 34 2.567 3.945 13.307 279 1HE2 GLN 34 1HE2 GLN 34 2.152 6.174 12.705 280 2HE2 GLN 34 2HE2 GLN 34 0.599 6.855 12.764 281 H VAL 35 H VAL 35 0.677 0.079 10.290 282 HA VAL 35 HA VAL 35 0.473 1.102 7.497 283 HB VAL 35 HB VAL 35 1.229 -1.728 8.163 284 1HG1 VAL 35 1HG1 VAL 35 2.250 0.329 6.190 285 2HG1 VAL 35 2HG1 VAL 35 1.122 -0.983 5.838 286 3HG1 VAL 35 3HG1 VAL 35 2.791 -1.348 6.281 287 1HG2 VAL 35 1HG2 VAL 35 3.690 -0.487 8.195 288 2HG2 VAL 35 2HG2 VAL 35 2.846 -1.048 9.631 289 3HG2 VAL 35 3HG2 VAL 35 2.716 0.641 9.138 290 H GLU 36 H GLU 36 -0.982 -1.391 9.647 291 HA GLU 36 HA GLU 36 -2.713 -2.489 7.583 292 1HB GLU 36 1HB GLU 36 -2.002 -3.529 9.819 293 2HB GLU 36 2HB GLU 36 -3.231 -2.509 10.565 294 1HG GLU 36 1HG GLU 36 -4.681 -3.573 8.537 295 2HG GLU 36 2HG GLU 36 -3.553 -4.896 8.830 296 H LYS 37 H LYS 37 -2.995 0.405 9.609 297 HA LYS 37 HA LYS 37 -5.915 0.571 9.032 298 1HB LYS 37 1HB LYS 37 -4.630 1.072 11.290 299 2HB LYS 37 2HB LYS 37 -4.330 2.638 10.535 300 1HG LYS 37 1HG LYS 37 -6.789 2.861 10.130 301 2HG LYS 37 2HG LYS 37 -7.036 1.363 11.028 302 1HD LYS 37 1HD LYS 37 -5.629 2.575 12.888 303 2HD LYS 37 2HD LYS 37 -6.116 4.039 12.033 304 1HE LYS 37 1HE LYS 37 -8.492 3.398 12.261 305 2HE LYS 37 2HE LYS 37 -8.008 1.921 13.120 306 1HZ LYS 37 1HZ LYS 37 -7.399 4.713 13.937 307 2HZ LYS 37 2HZ LYS 37 -6.810 3.325 14.718 308 3HZ LYS 37 3HZ LYS 37 -8.476 3.657 14.712 309 H GLU 38 H GLU 38 -2.852 2.320 8.295 310 HA GLU 38 HA GLU 38 -4.194 4.460 6.848 311 1HB GLU 38 1HB GLU 38 -1.366 3.358 6.723 312 2HB GLU 38 2HB GLU 38 -1.893 4.864 5.990 313 1HG GLU 38 1HG GLU 38 -2.088 4.236 8.943 314 2HG GLU 38 2HG GLU 38 -0.836 5.232 8.207 315 H LEU 39 H LEU 39 -2.850 1.268 5.902 316 HA LEU 39 HA LEU 39 -3.021 1.529 3.065 317 1HB LEU 39 1HB LEU 39 -2.902 -0.644 5.045 318 2HB LEU 39 2HB LEU 39 -3.832 -1.094 3.621 319 HG LEU 39 HG LEU 39 -1.250 0.321 3.161 320 1HD1 LEU 39 1HD1 LEU 39 -1.161 -2.645 3.535 321 2HD1 LEU 39 2HD1 LEU 39 -1.089 -1.628 4.974 322 3HD1 LEU 39 3HD1 LEU 39 0.128 -1.455 3.710 323 1HD2 LEU 39 1HD2 LEU 39 -1.356 -1.773 1.455 324 2HD2 LEU 39 2HD2 LEU 39 -2.172 -0.244 1.134 325 3HD2 LEU 39 3HD2 LEU 39 -3.075 -1.601 1.806 326 H LEU 40 H LEU 40 -5.601 0.804 5.462 327 HA LEU 40 HA LEU 40 -7.680 0.088 3.633 328 1HB LEU 40 1HB LEU 40 -7.667 0.041 6.196 329 2HB LEU 40 2HB LEU 40 -8.047 1.763 6.134 330 HG LEU 40 HG LEU 40 -9.710 -0.067 4.465 331 1HD1 LEU 40 1HD1 LEU 40 -9.843 -1.380 6.407 332 2HD1 LEU 40 2HD1 LEU 40 -11.199 -0.270 6.601 333 3HD1 LEU 40 3HD1 LEU 40 -9.694 0.015 7.474 334 1HD2 LEU 40 1HD2 LEU 40 -10.052 2.488 6.035 335 2HD2 LEU 40 2HD2 LEU 40 -11.452 1.580 5.465 336 3HD2 LEU 40 3HD2 LEU 40 -10.286 2.220 4.308 337 H ARG 41 H ARG 41 -6.467 3.332 4.567 338 HA ARG 41 HA ARG 41 -8.583 4.895 3.429 339 1HB ARG 41 1HB ARG 41 -5.685 5.304 4.067 340 2HB ARG 41 2HB ARG 41 -6.481 6.517 3.066 341 1HG ARG 41 1HG ARG 41 -6.717 7.202 5.372 342 2HG ARG 41 2HG ARG 41 -8.296 6.648 4.813 343 1HD ARG 41 1HD ARG 41 -7.898 4.439 5.856 344 2HD ARG 41 2HD ARG 41 -6.318 5.003 6.433 345 HE ARG 41 HE ARG 41 -8.927 6.212 7.268 346 1HH1 ARG 41 1HH2 ARG 41 -5.811 7.177 7.355 347 2HH1 ARG 41 2HH2 ARG 41 -5.617 7.148 9.076 348 1HH2 ARG 41 1HH1 ARG 41 -8.592 5.461 9.648 349 2HH2 ARG 41 2HH1 ARG 41 -7.192 6.176 10.374 350 H VAL 42 H VAL 42 -5.592 3.591 1.894 351 HA VAL 42 HA VAL 42 -5.907 4.810 -0.673 352 HB VAL 42 HB VAL 42 -4.801 2.080 0.087 353 1HG1 VAL 42 1HG1 VAL 42 -5.298 3.050 -2.487 354 2HG1 VAL 42 2HG1 VAL 42 -4.171 1.762 -2.066 355 3HG1 VAL 42 3HG1 VAL 42 -3.595 3.421 -2.220 356 1HG2 VAL 42 1HG2 VAL 42 -2.642 3.622 -0.341 357 2HG2 VAL 42 2HG2 VAL 42 -3.420 3.519 1.238 358 3HG2 VAL 42 3HG2 VAL 42 -3.772 4.877 0.170 359 H GLY 43 H GLY 43 -7.508 1.911 0.689 360 1HA GLY 43 1HA GLY 43 -8.669 0.993 -1.769 361 2HA GLY 43 2HA GLY 43 -9.263 0.607 -0.152 362 H GLN 44 H GLN 44 -9.865 3.229 0.786 363 HA GLN 44 HA GLN 44 -12.491 3.669 -0.256 364 1HB GLN 44 1HB GLN 44 -10.526 5.319 1.329 365 2HB GLN 44 2HB GLN 44 -12.058 6.031 0.823 366 1HG GLN 44 1HG GLN 44 -12.152 3.329 2.085 367 2HG GLN 44 2HG GLN 44 -11.822 4.706 3.137 368 1HE2 GLN 44 1HE2 GLN 44 -14.390 2.890 2.410 369 2HE2 GLN 44 2HE2 GLN 44 -15.606 4.069 2.301 370 H ILE 45 H ILE 45 -9.373 5.197 -1.161 371 HA ILE 45 HA ILE 45 -10.447 7.174 -2.962 372 HB ILE 45 HB ILE 45 -7.800 5.718 -2.665 373 1HG1 ILE 45 1HG1 ILE 45 -7.314 8.379 -2.390 374 2HG1 ILE 45 2HG1 ILE 45 -9.005 8.320 -1.893 375 1HG2 ILE 45 1HG2 ILE 45 -8.190 6.320 -5.130 376 2HG2 ILE 45 2HG2 ILE 45 -6.770 7.043 -4.383 377 3HG2 ILE 45 3HG2 ILE 45 -8.226 8.005 -4.612 378 1HD1 ILE 45 1HD1 ILE 45 -8.531 7.183 0.019 379 2HD1 ILE 45 2HD1 ILE 45 -6.899 7.802 -0.230 380 3HD1 ILE 45 3HD1 ILE 45 -7.318 6.177 -0.769 381 H LEU 46 H LEU 46 -9.541 3.735 -3.484 382 HA LEU 46 HA LEU 46 -10.179 3.825 -6.346 383 1HB LEU 46 1HB LEU 46 -8.654 2.192 -4.933 384 2HB LEU 46 2HB LEU 46 -10.159 1.312 -4.681 385 HG LEU 46 HG LEU 46 -8.947 0.424 -6.625 386 1HD1 LEU 46 1HD1 LEU 46 -10.796 0.239 -8.022 387 2HD1 LEU 46 2HD1 LEU 46 -11.242 1.934 -7.826 388 3HD1 LEU 46 3HD1 LEU 46 -11.556 0.784 -6.526 389 1HD2 LEU 46 1HD2 LEU 46 -7.880 2.709 -7.136 390 2HD2 LEU 46 2HD2 LEU 46 -9.381 3.090 -7.982 391 3HD2 LEU 46 3HD2 LEU 46 -8.383 1.744 -8.522 392 H LYS 47 H LYS 47 -11.943 2.896 -3.371 393 HA LYS 47 HA LYS 47 -14.262 1.867 -4.834 394 1HB LYS 47 1HB LYS 47 -13.566 1.191 -2.505 395 2HB LYS 47 2HB LYS 47 -14.046 2.794 -1.948 396 1HG LYS 47 1HG LYS 47 -16.329 2.307 -3.021 397 2HG LYS 47 2HG LYS 47 -15.798 0.627 -3.117 398 1HD LYS 47 1HD LYS 47 -15.463 2.020 -0.499 399 2HD LYS 47 2HD LYS 47 -17.102 1.571 -0.975 400 1HE LYS 47 1HE LYS 47 -15.861 -0.744 -1.575 401 2HE LYS 47 2HE LYS 47 -14.797 -0.183 -0.270 402 1HZ LYS 47 1HZ LYS 47 -16.803 -1.442 0.494 403 2HZ LYS 47 2HZ LYS 47 -17.758 -0.161 -0.084 404 3HZ LYS 47 3HZ LYS 47 -16.641 0.105 1.168 405 H GLU 48 H GLU 48 -13.245 5.069 -3.635 406 HA GLU 48 HA GLU 48 -15.734 6.378 -3.466 407 1HB GLU 48 1HB GLU 48 -12.937 7.159 -4.138 408 2HB GLU 48 2HB GLU 48 -14.196 8.332 -4.527 409 1HG GLU 48 1HG GLU 48 -15.028 7.750 -2.075 410 2HG GLU 48 2HG GLU 48 -13.342 7.283 -1.856 411 HA PRO 49 HA PRO 49 -17.175 6.046 -7.671 412 1HB PRO 49 1HB PRO 49 -19.218 7.865 -7.566 413 2HB PRO 49 2HB PRO 49 -19.328 6.241 -6.857 414 1HG PRO 49 1HG PRO 49 -18.790 8.851 -5.535 415 2HG PRO 49 2HG PRO 49 -19.765 7.482 -4.977 416 1HD PRO 49 1HD PRO 49 -17.248 7.999 -4.074 417 2HD PRO 49 2HD PRO 49 -17.954 6.369 -4.130 418 H LYS 50 H LYS 50 -16.446 9.253 -6.235 419 HA LYS 50 HA LYS 50 -16.299 10.588 -8.854 420 1HB LYS 50 1HB LYS 50 -15.600 11.293 -5.999 421 2HB LYS 50 2HB LYS 50 -15.128 12.357 -7.323 422 1HG LYS 50 1HG LYS 50 -17.333 12.863 -7.885 423 2HG LYS 50 2HG LYS 50 -17.962 11.380 -7.165 424 1HD LYS 50 1HD LYS 50 -17.989 12.257 -5.036 425 2HD LYS 50 2HD LYS 50 -16.610 13.315 -5.341 426 1HE LYS 50 1HE LYS 50 -17.958 14.904 -6.517 427 2HE LYS 50 2HE LYS 50 -19.317 13.768 -6.632 428 1HZ LYS 50 1HZ LYS 50 -19.602 13.802 -4.295 429 2HZ LYS 50 2HZ LYS 50 -19.489 15.427 -4.778 430 3HZ LYS 50 3HZ LYS 50 -18.159 14.659 -4.049 431 H MET 51 H MET 51 -14.009 9.042 -6.584 432 HA MET 51 HA MET 51 -11.682 9.814 -8.242 433 1HB MET 51 1HB MET 51 -11.597 9.729 -5.760 434 2HB MET 51 2HB MET 51 -11.948 8.003 -5.822 435 1HG MET 51 1HG MET 51 -9.705 7.733 -5.873 436 2HG MET 51 2HG MET 51 -9.831 8.202 -7.563 437 1HE MET 51 1HE MET 51 -7.470 8.276 -6.842 438 2HE MET 51 2HE MET 51 -6.638 9.648 -6.115 439 3HE MET 51 3HE MET 51 -7.211 9.756 -7.777 440 H ALA 52 H ALA 52 -13.744 6.931 -7.722 441 HA ALA 52 HA ALA 52 -12.084 4.922 -8.859 442 1HB ALA 52 1HB ALA 52 -14.078 4.101 -7.981 443 2HB ALA 52 2HB ALA 52 -14.490 4.100 -9.695 444 3HB ALA 52 3HB ALA 52 -15.037 5.417 -8.658 445 H ALA 53 H ALA 53 -14.118 7.370 -10.510 446 HA ALA 53 HA ALA 53 -13.916 6.362 -13.177 447 1HB ALA 53 1HB ALA 53 -13.772 9.310 -12.567 448 2HB ALA 53 2HB ALA 53 -15.216 8.397 -12.131 449 3HB ALA 53 3HB ALA 53 -14.704 8.483 -13.816 450 H SER 54 H SER 54 -11.539 8.230 -11.254 451 HA SER 54 HA SER 54 -9.776 8.654 -13.580 452 1HB SER 54 1HB SER 54 -10.091 10.025 -11.327 453 2HB SER 54 2HB SER 54 -8.882 8.899 -10.718 454 HG SER 54 HG SER 54 -8.136 10.934 -11.756 455 H LEU 55 H LEU 55 -9.539 6.675 -10.559 456 HA LEU 55 HA LEU 55 -7.127 5.305 -11.426 457 1HB LEU 55 1HB LEU 55 -9.231 4.855 -9.316 458 2HB LEU 55 2HB LEU 55 -7.982 3.641 -9.596 459 HG LEU 55 HG LEU 55 -7.290 6.549 -9.185 460 1HD1 LEU 55 1HD1 LEU 55 -7.224 6.294 -6.875 461 2HD1 LEU 55 2HD1 LEU 55 -7.099 4.538 -6.969 462 3HD1 LEU 55 3HD1 LEU 55 -8.648 5.329 -7.268 463 1HD2 LEU 55 1HD2 LEU 55 -5.593 5.024 -10.164 464 2HD2 LEU 55 2HD2 LEU 55 -5.762 3.959 -8.769 465 3HD2 LEU 55 3HD2 LEU 55 -5.113 5.586 -8.563 466 H LEU 56 H LEU 56 -10.588 4.680 -12.010 467 HA LEU 56 HA LEU 56 -10.052 1.960 -13.032 468 1HB LEU 56 1HB LEU 56 -12.133 2.608 -11.788 469 2HB LEU 56 2HB LEU 56 -12.562 3.676 -13.117 470 HG LEU 56 HG LEU 56 -13.675 1.365 -13.088 471 1HD1 LEU 56 1HD1 LEU 56 -12.848 3.005 -15.192 472 2HD1 LEU 56 2HD1 LEU 56 -14.063 1.730 -15.270 473 3HD1 LEU 56 3HD1 LEU 56 -12.390 1.380 -15.702 474 1HD2 LEU 56 1HD2 LEU 56 -11.076 0.393 -14.282 475 2HD2 LEU 56 2HD2 LEU 56 -12.458 -0.556 -13.732 476 3HD2 LEU 56 3HD2 LEU 56 -11.404 0.229 -12.556 477 H ASN 57 H ASN 57 -10.312 5.239 -14.383 478 HA ASN 57 HA ASN 57 -11.087 4.783 -17.029 479 1HB ASN 57 1HB ASN 57 -9.282 6.666 -15.625 480 2HB ASN 57 2HB ASN 57 -9.030 6.550 -17.365 481 1HD2 ASN 57 1HD2 ASN 57 -9.943 8.855 -17.431 482 2HD2 ASN 57 2HD2 ASN 57 -11.630 9.047 -17.404 483 HA PRO 58 HA PRO 58 -8.014 2.100 -18.735 484 1HB PRO 58 1HB PRO 58 -8.245 2.725 -21.388 485 2HB PRO 58 2HB PRO 58 -9.438 1.740 -20.517 486 1HG PRO 58 1HG PRO 58 -9.546 4.617 -21.267 487 2HG PRO 58 2HG PRO 58 -10.834 3.401 -21.260 488 1HD PRO 58 1HD PRO 58 -10.522 5.282 -19.309 489 2HD PRO 58 2HD PRO 58 -11.281 3.698 -19.038 490 H TYR 59 H TYR 59 -7.788 5.575 -18.909 491 HA TYR 59 HA TYR 59 -5.169 5.558 -20.289 492 1HB TYR 59 1HB TYR 59 -6.861 7.761 -19.046 493 2HB TYR 59 2HB TYR 59 -5.420 8.024 -20.031 494 HD1 TYR 59 HD1 TYR 59 -5.439 7.589 -22.440 495 HD2 TYR 59 HD2 TYR 59 -8.954 6.957 -20.043 496 HE1 TYR 59 HE1 TYR 59 -6.818 7.445 -24.495 497 HE2 TYR 59 HE2 TYR 59 -10.327 6.813 -22.100 498 HH TYR 59 HH TYR 59 -9.520 7.926 -24.933 499 H VAL 60 H VAL 60 -6.416 6.845 -17.131 500 HA VAL 60 HA VAL 60 -5.273 7.180 -15.086 501 HB VAL 60 HB VAL 60 -3.994 4.615 -16.094 502 1HG1 VAL 60 1HG1 VAL 60 -3.057 4.325 -14.040 503 2HG1 VAL 60 2HG1 VAL 60 -4.456 4.993 -13.202 504 3HG1 VAL 60 3HG1 VAL 60 -3.240 6.071 -13.885 505 1HG2 VAL 60 1HG2 VAL 60 -6.670 5.116 -15.666 506 2HG2 VAL 60 2HG2 VAL 60 -6.162 4.504 -14.093 507 3HG2 VAL 60 3HG2 VAL 60 -5.916 3.527 -15.541 508 H LYS 61 H LYS 61 -4.073 9.135 -15.870 509 HA LYS 61 HA LYS 61 -1.505 8.948 -17.189 510 1HB LYS 61 1HB LYS 61 -2.975 11.030 -15.588 511 2HB LYS 61 2HB LYS 61 -1.287 11.311 -16.019 512 1HG LYS 61 1HG LYS 61 -3.365 10.504 -18.063 513 2HG LYS 61 2HG LYS 61 -3.022 12.191 -17.678 514 1HD LYS 61 1HD LYS 61 -0.587 11.713 -18.176 515 2HD LYS 61 2HD LYS 61 -1.094 10.136 -18.785 516 1HE LYS 61 1HE LYS 61 -1.253 11.282 -20.777 517 2HE LYS 61 2HE LYS 61 -2.832 11.768 -20.123 518 1HZ LYS 61 1HZ LYS 61 -1.842 13.699 -19.138 519 2HZ LYS 61 2HZ LYS 61 -1.430 13.680 -20.786 520 3HZ LYS 61 3HZ LYS 61 -0.288 13.218 -19.617 521 H ARG 62 H ARG 62 0.398 8.147 -16.333 522 HA ARG 62 HA ARG 62 0.687 7.283 -13.615 523 1HB ARG 62 1HB ARG 62 2.606 7.907 -15.862 524 2HB ARG 62 2HB ARG 62 3.214 7.411 -14.281 525 1HG ARG 62 1HG ARG 62 1.108 5.835 -15.773 526 2HG ARG 62 2HG ARG 62 2.834 5.530 -15.968 527 1HD ARG 62 1HD ARG 62 3.028 5.160 -13.509 528 2HD ARG 62 2HD ARG 62 1.273 5.378 -13.365 529 HE ARG 62 HE ARG 62 2.603 3.032 -14.472 530 1HH1 ARG 62 1HH2 ARG 62 -0.037 3.053 -13.007 531 2HH1 ARG 62 2HH2 ARG 62 -1.150 2.698 -14.284 532 1HH2 ARG 62 1HH1 ARG 62 1.107 3.439 -16.812 533 2HH2 ARG 62 2HH1 ARG 62 -0.503 2.918 -16.440 534 H SER 63 H SER 63 1.606 10.390 -15.168 535 HA SER 63 HA SER 63 2.974 11.425 -12.806 536 1HB SER 63 1HB SER 63 2.205 13.632 -14.252 537 2HB SER 63 2HB SER 63 3.637 12.670 -14.605 538 HG SER 63 HG SER 63 2.481 12.728 -16.471 539 H VAL 64 H VAL 64 -0.378 11.734 -14.069 540 HA VAL 64 HA VAL 64 -1.242 13.656 -12.074 541 HB VAL 64 HB VAL 64 -2.797 11.578 -13.671 542 1HG1 VAL 64 1HG1 VAL 64 -4.128 12.370 -11.783 543 2HG1 VAL 64 2HG1 VAL 64 -4.732 13.111 -13.265 544 3HG1 VAL 64 3HG1 VAL 64 -3.722 14.044 -12.162 545 1HG2 VAL 64 1HG2 VAL 64 -3.325 13.648 -15.068 546 2HG2 VAL 64 2HG2 VAL 64 -1.662 13.072 -15.173 547 3HG2 VAL 64 3HG2 VAL 64 -2.049 14.471 -14.173 548 H LYS 65 H LYS 65 -1.288 10.061 -12.167 549 HA LYS 65 HA LYS 65 -2.693 9.756 -9.643 550 1HB LYS 65 1HB LYS 65 -0.839 7.965 -11.247 551 2HB LYS 65 2HB LYS 65 -1.640 7.422 -9.772 552 1HG LYS 65 1HG LYS 65 -3.261 8.696 -11.959 553 2HG LYS 65 2HG LYS 65 -2.794 6.999 -12.093 554 1HD LYS 65 1HD LYS 65 -4.117 6.350 -10.328 555 2HD LYS 65 2HD LYS 65 -3.928 7.887 -9.485 556 1HE LYS 65 1HE LYS 65 -5.368 8.050 -12.075 557 2HE LYS 65 2HE LYS 65 -6.219 7.190 -10.775 558 1HZ LYS 65 1HZ LYS 65 -4.993 9.892 -10.598 559 2HZ LYS 65 2HZ LYS 65 -5.667 9.050 -9.285 560 3HZ LYS 65 3HZ LYS 65 -6.652 9.539 -10.581 561 H VAL 66 H VAL 66 0.797 9.931 -10.492 562 HA VAL 66 HA VAL 66 1.708 9.447 -7.761 563 HB VAL 66 HB VAL 66 3.069 10.847 -10.098 564 1HG1 VAL 66 1HG1 VAL 66 4.328 11.351 -8.148 565 2HG1 VAL 66 2HG1 VAL 66 5.140 9.952 -8.851 566 3HG1 VAL 66 3HG1 VAL 66 4.067 9.746 -7.466 567 1HG2 VAL 66 1HG2 VAL 66 3.642 8.785 -10.928 568 2HG2 VAL 66 2HG2 VAL 66 2.165 8.291 -10.100 569 3HG2 VAL 66 3HG2 VAL 66 3.731 8.051 -9.326 570 H LYS 67 H LYS 67 1.014 12.414 -9.672 571 HA LYS 67 HA LYS 67 1.895 14.242 -7.578 572 1HB LYS 67 1HB LYS 67 1.559 14.712 -10.083 573 2HB LYS 67 2HB LYS 67 -0.169 14.786 -9.735 574 1HG LYS 67 1HG LYS 67 0.165 16.609 -8.170 575 2HG LYS 67 2HG LYS 67 1.917 16.470 -8.320 576 1HD LYS 67 1HD LYS 67 1.890 17.243 -10.572 577 2HD LYS 67 2HD LYS 67 0.144 17.033 -10.702 578 1HE LYS 67 1HE LYS 67 -0.279 18.880 -9.217 579 2HE LYS 67 2HE LYS 67 1.435 18.983 -8.767 580 1HZ LYS 67 1HZ LYS 67 1.934 19.348 -11.151 581 2HZ LYS 67 2HZ LYS 67 1.012 20.599 -10.464 582 3HZ LYS 67 3HZ LYS 67 0.270 19.441 -11.461 583 H SER 68 H SER 68 -1.271 12.769 -8.435 584 HA SER 68 HA SER 68 -2.785 14.282 -6.458 585 1HB SER 68 1HB SER 68 -3.516 12.814 -8.545 586 2HB SER 68 2HB SER 68 -3.555 11.515 -7.357 587 HG SER 68 HG SER 68 -5.555 12.730 -7.632 588 H LEU 69 H LEU 69 -1.085 11.117 -6.389 589 HA LEU 69 HA LEU 69 -2.024 10.361 -3.748 590 1HB LEU 69 1HB LEU 69 0.330 9.588 -5.486 591 2HB LEU 69 2HB LEU 69 0.112 8.894 -3.878 592 HG LEU 69 HG LEU 69 -2.152 8.889 -5.862 593 1HD1 LEU 69 1HD1 LEU 69 0.024 7.849 -6.792 594 2HD1 LEU 69 2HD1 LEU 69 -1.427 6.847 -6.810 595 3HD1 LEU 69 3HD1 LEU 69 -0.203 6.604 -5.564 596 1HD2 LEU 69 1HD2 LEU 69 -2.077 8.237 -3.243 597 2HD2 LEU 69 2HD2 LEU 69 -1.587 6.690 -3.934 598 3HD2 LEU 69 3HD2 LEU 69 -3.129 7.413 -4.394 599 H SER 70 H SER 70 0.849 12.201 -4.890 600 HA SER 70 HA SER 70 2.049 12.411 -2.240 601 1HB SER 70 1HB SER 70 3.304 12.732 -4.362 602 2HB SER 70 2HB SER 70 2.344 14.167 -4.710 603 HG SER 70 HG SER 70 3.269 15.196 -3.003 604 H ASP 71 H ASP 71 -0.128 14.542 -4.154 605 HA ASP 71 HA ASP 71 -0.200 16.623 -2.102 606 1HB ASP 71 1HB ASP 71 -1.925 15.948 -4.504 607 2HB ASP 71 2HB ASP 71 -2.245 17.347 -3.478 608 H MET 72 H MET 72 -1.854 13.534 -2.446 609 HA MET 72 HA MET 72 -4.022 14.338 -0.575 610 1HB MET 72 1HB MET 72 -4.225 12.727 -2.605 611 2HB MET 72 2HB MET 72 -3.376 11.556 -1.596 612 1HG MET 72 1HG MET 72 -5.134 11.948 0.180 613 2HG MET 72 2HG MET 72 -6.026 12.899 -1.007 614 1HE MET 72 1HE MET 72 -4.048 9.263 -1.971 615 2HE MET 72 2HE MET 72 -5.060 8.542 -0.722 616 3HE MET 72 3HE MET 72 -4.060 9.940 -0.337 617 H THR 73 H THR 73 -1.152 12.185 -0.724 618 HA THR 73 HA THR 73 -1.304 11.227 1.988 619 HB THR 73 HB THR 73 0.751 11.423 -0.195 620 HG1 THR 73 HG1 THR 73 -0.455 9.616 -0.154 621 1HG2 THR 73 1HG2 THR 73 2.228 12.037 1.533 622 2HG2 THR 73 2HG2 THR 73 2.409 10.288 1.398 623 3HG2 THR 73 3HG2 THR 73 1.442 10.977 2.703 624 H ALA 74 H ALA 74 0.099 14.227 0.569 625 HA ALA 74 HA ALA 74 1.475 15.134 2.935 626 1HB ALA 74 1HB ALA 74 0.252 16.481 0.522 627 2HB ALA 74 2HB ALA 74 1.958 16.269 0.915 628 3HB ALA 74 3HB ALA 74 0.987 17.441 1.806 629 H LYS 75 H LYS 75 -1.941 15.523 1.890 630 HA LYS 75 HA LYS 75 -2.552 17.109 4.332 631 1HB LYS 75 1HB LYS 75 -4.077 16.241 1.869 632 2HB LYS 75 2HB LYS 75 -4.893 17.005 3.232 633 1HG LYS 75 1HG LYS 75 -2.424 18.339 2.246 634 2HG LYS 75 2HG LYS 75 -3.842 18.426 1.199 635 1HD LYS 75 1HD LYS 75 -5.152 19.477 2.891 636 2HD LYS 75 2HD LYS 75 -3.971 19.095 4.145 637 1HE LYS 75 1HE LYS 75 -3.682 21.435 3.577 638 2HE LYS 75 2HE LYS 75 -2.315 20.559 2.859 639 1HZ LYS 75 1HZ LYS 75 -3.355 21.993 1.215 640 2HZ LYS 75 2HZ LYS 75 -4.858 21.248 1.480 641 3HZ LYS 75 3HZ LYS 75 -3.577 20.364 0.798 642 H GLU 76 H GLU 76 -3.019 13.795 3.084 643 HA GLU 76 HA GLU 76 -5.021 12.974 4.999 644 1HB GLU 76 1HB GLU 76 -4.292 11.825 2.839 645 2HB GLU 76 2HB GLU 76 -2.898 11.223 3.736 646 1HG GLU 76 1HG GLU 76 -4.479 9.486 3.950 647 2HG GLU 76 2HG GLU 76 -4.641 10.378 5.463 648 H LYS 77 H LYS 77 -1.599 13.610 5.487 649 HA LYS 77 HA LYS 77 -0.252 13.322 7.386 650 1HB LYS 77 1HB LYS 77 -2.692 14.067 8.263 651 2HB LYS 77 2HB LYS 77 -2.613 12.469 9.004 652 1HG LYS 77 1HG LYS 77 -0.891 13.052 10.410 653 2HG LYS 77 2HG LYS 77 -0.189 14.181 9.251 654 1HD LYS 77 1HD LYS 77 -2.867 14.832 10.419 655 2HD LYS 77 2HD LYS 77 -1.436 15.067 11.423 656 1HE LYS 77 1HE LYS 77 -1.495 16.139 8.603 657 2HE LYS 77 2HE LYS 77 -2.210 17.065 9.938 658 1HZ LYS 77 1HZ LYS 77 0.530 15.915 9.971 659 2HZ LYS 77 2HZ LYS 77 -0.165 16.919 11.152 660 3HZ LYS 77 3HZ LYS 77 0.184 17.535 9.608 661 H PHE 78 H PHE 78 -0.360 11.130 5.634 662 HA PHE 78 HA PHE 78 -1.122 8.614 6.737 663 1HB PHE 78 1HB PHE 78 0.733 9.600 4.654 664 2HB PHE 78 2HB PHE 78 1.156 8.023 5.314 665 HD1 PHE 78 HD1 PHE 78 -1.242 6.641 5.878 666 HD2 PHE 78 HD2 PHE 78 -0.492 9.406 2.672 667 HE1 PHE 78 HE1 PHE 78 -3.061 5.600 4.548 668 HE2 PHE 78 HE2 PHE 78 -2.306 8.357 1.342 669 HZ PHE 78 HZ PHE 78 -3.592 6.452 2.282 670 H SER 79 H SER 79 0.958 6.916 7.155 671 HA SER 79 HA SER 79 2.287 8.072 9.557 672 1HB SER 79 1HB SER 79 1.829 6.047 10.570 673 2HB SER 79 2HB SER 79 0.555 6.016 9.363 674 HG SER 79 HG SER 79 1.697 4.616 8.172 675 HA PRO 80 HA PRO 80 6.228 7.071 7.927 676 1HB PRO 80 1HB PRO 80 7.473 5.282 9.558 677 2HB PRO 80 2HB PRO 80 7.211 6.983 9.983 678 1HG PRO 80 1HG PRO 80 5.746 4.566 10.870 679 2HG PRO 80 2HG PRO 80 6.131 6.047 11.759 680 1HD PRO 80 1HD PRO 80 3.687 5.468 10.668 681 2HD PRO 80 2HD PRO 80 4.254 7.108 11.039 682 H LEU 81 H LEU 81 4.031 4.382 8.126 683 HA LEU 81 HA LEU 81 5.799 2.806 6.297 684 1HB LEU 81 1HB LEU 81 3.706 2.178 8.358 685 2HB LEU 81 2HB LEU 81 3.916 1.067 6.999 686 HG LEU 81 HG LEU 81 5.307 0.400 8.944 687 1HD1 LEU 81 1HD1 LEU 81 7.238 -0.096 7.704 688 2HD1 LEU 81 2HD1 LEU 81 7.191 1.441 6.838 689 3HD1 LEU 81 3HD1 LEU 81 6.025 0.175 6.451 690 1HD2 LEU 81 1HD2 LEU 81 6.800 1.800 9.999 691 2HD2 LEU 81 2HD2 LEU 81 5.653 3.020 9.445 692 3HD2 LEU 81 3HD2 LEU 81 7.132 2.723 8.533 693 H THR 82 H THR 82 3.891 5.183 5.629 694 HA THR 82 HA THR 82 2.313 3.659 3.625 695 HB THR 82 HB THR 82 1.126 6.087 4.942 696 HG1 THR 82 HG1 THR 82 1.181 3.467 6.095 697 1HG2 THR 82 1HG2 THR 82 0.326 3.712 3.359 698 2HG2 THR 82 2HG2 THR 82 -0.413 5.306 3.443 699 3HG2 THR 82 3HG2 THR 82 -0.760 4.105 4.683 700 H SER 83 H SER 83 4.883 5.348 3.473 701 HA SER 83 HA SER 83 3.882 7.147 1.307 702 1HB SER 83 1HB SER 83 5.903 8.610 2.014 703 2HB SER 83 2HB SER 83 4.541 8.595 3.131 704 HG SER 83 HG SER 83 6.993 7.186 3.288 705 H ASN 84 H ASN 84 4.456 4.614 0.840 706 HA ASN 84 HA ASN 84 6.761 4.665 -0.986 707 1HB ASN 84 1HB ASN 84 6.786 3.368 1.701 708 2HB ASN 84 2HB ASN 84 7.406 2.384 0.373 709 1HD2 ASN 84 1HD2 ASN 84 9.226 3.404 -0.968 710 2HD2 ASN 84 2HD2 ASN 84 10.248 4.524 -0.205 711 H LEU 85 H LEU 85 4.653 2.396 0.866 712 HA LEU 85 HA LEU 85 4.081 0.584 -1.278 713 1HB LEU 85 1HB LEU 85 3.563 0.139 1.108 714 2HB LEU 85 2HB LEU 85 2.394 1.459 1.112 715 HG LEU 85 HG LEU 85 1.108 0.265 -0.675 716 1HD1 LEU 85 1HD1 LEU 85 3.269 -1.789 -0.181 717 2HD1 LEU 85 2HD1 LEU 85 2.748 -1.101 -1.719 718 3HD1 LEU 85 3HD1 LEU 85 1.703 -2.232 -0.860 719 1HD2 LEU 85 1HD2 LEU 85 0.570 -1.781 0.940 720 2HD2 LEU 85 2HD2 LEU 85 0.145 -0.131 1.399 721 3HD2 LEU 85 3HD2 LEU 85 1.602 -0.880 2.049 722 H ILE 86 H ILE 86 2.803 3.870 -0.529 723 HA ILE 86 HA ILE 86 0.456 3.671 -2.216 724 HB ILE 86 HB ILE 86 2.107 5.879 -0.996 725 1HG1 ILE 86 1HG1 ILE 86 -0.080 6.426 0.037 726 2HG1 ILE 86 2HG1 ILE 86 -0.833 5.137 -0.897 727 1HG2 ILE 86 1HG2 ILE 86 1.653 7.150 -2.875 728 2HG2 ILE 86 2HG2 ILE 86 0.132 7.380 -2.012 729 3HG2 ILE 86 3HG2 ILE 86 0.239 6.192 -3.311 730 1HD1 ILE 86 1HD1 ILE 86 0.442 3.453 0.236 731 2HD1 ILE 86 2HD1 ILE 86 -0.205 4.519 1.484 732 3HD1 ILE 86 3HD1 ILE 86 1.482 4.662 0.991 733 H ASN 87 H ASN 87 3.831 4.739 -2.847 734 HA ASN 87 HA ASN 87 3.450 5.502 -5.597 735 1HB ASN 87 1HB ASN 87 5.482 5.926 -4.145 736 2HB ASN 87 2HB ASN 87 5.912 4.227 -4.346 737 1HD2 ASN 87 1HD2 ASN 87 7.872 4.705 -5.614 738 2HD2 ASN 87 2HD2 ASN 87 7.763 5.325 -7.190 739 H LEU 88 H LEU 88 4.589 2.359 -4.224 740 HA LEU 88 HA LEU 88 4.771 0.889 -6.651 741 1HB LEU 88 1HB LEU 88 4.314 0.268 -3.769 742 2HB LEU 88 2HB LEU 88 3.911 -1.009 -4.913 743 HG LEU 88 HG LEU 88 6.544 0.451 -5.072 744 1HD1 LEU 88 1HD1 LEU 88 5.657 -1.668 -3.166 745 2HD1 LEU 88 2HD1 LEU 88 6.861 -0.397 -2.951 746 3HD1 LEU 88 3HD1 LEU 88 7.260 -1.842 -3.881 747 1HD2 LEU 88 1HD2 LEU 88 5.595 -1.039 -6.938 748 2HD2 LEU 88 2HD2 LEU 88 5.834 -2.389 -5.829 749 3HD2 LEU 88 3HD2 LEU 88 7.216 -1.436 -6.367 750 H LEU 89 H LEU 89 1.895 1.498 -4.580 751 HA LEU 89 HA LEU 89 0.059 -0.173 -6.034 752 1HB LEU 89 1HB LEU 89 -0.166 2.265 -4.275 753 2HB LEU 89 2HB LEU 89 -1.603 1.661 -5.100 754 HG LEU 89 HG LEU 89 0.189 -0.123 -3.442 755 1HD1 LEU 89 1HD1 LEU 89 -1.143 1.952 -2.335 756 2HD1 LEU 89 2HD1 LEU 89 -0.955 0.399 -1.523 757 3HD1 LEU 89 3HD1 LEU 89 -2.448 0.767 -2.387 758 1HD2 LEU 89 1HD2 LEU 89 -1.401 -1.747 -3.804 759 2HD2 LEU 89 2HD2 LEU 89 -1.655 -0.808 -5.274 760 3HD2 LEU 89 3HD2 LEU 89 -2.722 -0.582 -3.889 761 H ALA 90 H ALA 90 1.040 3.249 -6.523 762 HA ALA 90 HA ALA 90 -0.530 3.249 -9.075 763 1HB ALA 90 1HB ALA 90 -0.638 5.584 -8.815 764 2HB ALA 90 2HB ALA 90 0.818 5.633 -7.821 765 3HB ALA 90 3HB ALA 90 -0.691 5.021 -7.144 766 H GLU 91 H GLU 91 2.196 1.898 -8.667 767 HA GLU 91 HA GLU 91 3.970 3.671 -10.290 768 1HB GLU 91 1HB GLU 91 4.845 2.492 -8.282 769 2HB GLU 91 2HB GLU 91 4.427 0.946 -9.020 770 1HG GLU 91 1HG GLU 91 6.102 1.109 -10.632 771 2HG GLU 91 2HG GLU 91 6.166 2.869 -10.532 772 H ASN 92 H ASN 92 2.396 0.429 -10.471 773 HA ASN 92 HA ASN 92 2.818 0.546 -13.442 774 1HB ASN 92 1HB ASN 92 3.433 -1.547 -11.395 775 2HB ASN 92 2HB ASN 92 2.912 -2.084 -12.992 776 1HD2 ASN 92 1HD2 ASN 92 5.670 -2.361 -11.844 777 2HD2 ASN 92 2HD2 ASN 92 6.689 -1.500 -12.894 778 H GLY 93 H GLY 93 0.375 1.264 -11.782 779 1HA GLY 93 1HA GLY 93 -1.930 0.982 -12.156 780 2HA GLY 93 2HA GLY 93 -1.549 -0.320 -13.289 781 H ARG 94 H ARG 94 -0.884 0.158 -9.767 782 HA ARG 94 HA ARG 94 -1.883 -2.632 -9.370 783 1HB ARG 94 1HB ARG 94 0.183 -0.877 -8.131 784 2HB ARG 94 2HB ARG 94 -0.604 -2.056 -7.081 785 1HG ARG 94 1HG ARG 94 0.589 -2.790 -9.763 786 2HG ARG 94 2HG ARG 94 1.499 -2.879 -8.255 787 1HD ARG 94 1HD ARG 94 -0.258 -4.400 -7.322 788 2HD ARG 94 2HD ARG 94 -1.057 -4.388 -8.908 789 HE ARG 94 HE ARG 94 1.683 -5.464 -8.396 790 1HH1 ARG 94 1HH2 ARG 94 0.056 -4.273 -11.007 791 2HH1 ARG 94 2HH2 ARG 94 0.022 -5.746 -11.916 792 1HH2 ARG 94 1HH1 ARG 94 1.142 -7.706 -9.285 793 2HH2 ARG 94 2HH1 ARG 94 0.637 -7.690 -10.942 794 H LEU 95 H LEU 95 -3.612 -0.018 -9.430 795 HA LEU 95 HA LEU 95 -4.655 -0.180 -6.625 796 1HB LEU 95 1HB LEU 95 -4.820 1.865 -8.852 797 2HB LEU 95 2HB LEU 95 -5.880 1.948 -7.444 798 HG LEU 95 HG LEU 95 -2.854 1.821 -7.285 799 1HD1 LEU 95 1HD1 LEU 95 -4.722 4.192 -6.985 800 2HD1 LEU 95 2HD1 LEU 95 -3.606 3.929 -8.325 801 3HD1 LEU 95 3HD1 LEU 95 -2.982 4.214 -6.700 802 1HD2 LEU 95 1HD2 LEU 95 -3.801 0.993 -5.258 803 2HD2 LEU 95 2HD2 LEU 95 -5.078 2.208 -5.270 804 3HD2 LEU 95 3HD2 LEU 95 -3.415 2.681 -4.928 805 H THR 96 H THR 96 -5.169 -2.236 -8.753 806 HA THR 96 HA THR 96 -8.115 -1.883 -9.171 807 HB THR 96 HB THR 96 -6.277 -3.975 -10.379 808 HG1 THR 96 HG1 THR 96 -5.371 -2.142 -11.088 809 1HG2 THR 96 1HG2 THR 96 -8.863 -2.736 -11.356 810 2HG2 THR 96 2HG2 THR 96 -8.745 -4.290 -10.531 811 3HG2 THR 96 3HG2 THR 96 -7.991 -4.069 -12.110 812 H ASN 97 H ASN 97 -5.619 -4.312 -8.207 813 HA ASN 97 HA ASN 97 -7.682 -5.719 -6.570 814 1HB ASN 97 1HB ASN 97 -4.899 -6.446 -7.561 815 2HB ASN 97 2HB ASN 97 -5.871 -7.490 -6.520 816 1HD2 ASN 97 1HD2 ASN 97 -5.671 -6.106 -9.814 817 2HD2 ASN 97 2HD2 ASN 97 -6.837 -7.139 -10.487 818 H THR 98 H THR 98 -6.573 -3.088 -5.728 819 HA THR 98 HA THR 98 -4.415 -3.444 -3.887 820 HB THR 98 HB THR 98 -5.155 -1.273 -4.863 821 HG1 THR 98 HG1 THR 98 -4.667 -0.145 -3.032 822 1HG2 THR 98 1HG2 THR 98 -7.568 -1.497 -4.662 823 2HG2 THR 98 2HG2 THR 98 -7.044 -0.095 -3.729 824 3HG2 THR 98 3HG2 THR 98 -7.443 -1.603 -2.905 825 HA PRO 99 HA PRO 99 -7.901 -3.875 -0.527 826 1HB PRO 99 1HB PRO 99 -9.918 -5.602 -1.252 827 2HB PRO 99 2HB PRO 99 -10.057 -3.834 -1.344 828 1HG PRO 99 1HG PRO 99 -9.363 -5.786 -3.499 829 2HG PRO 99 2HG PRO 99 -10.493 -4.418 -3.543 830 1HD PRO 99 1HD PRO 99 -8.088 -4.193 -4.602 831 2HD PRO 99 2HD PRO 99 -8.788 -2.845 -3.697 832 H ALA 100 H ALA 100 -7.203 -6.465 -2.921 833 HA ALA 100 HA ALA 100 -7.029 -8.670 -1.086 834 1HB ALA 100 1HB ALA 100 -6.865 -8.552 -3.699 835 2HB ALA 100 2HB ALA 100 -5.925 -9.783 -2.855 836 3HB ALA 100 3HB ALA 100 -5.141 -8.306 -3.416 837 H VAL 101 H VAL 101 -4.697 -6.058 -1.858 838 HA VAL 101 HA VAL 101 -2.444 -7.228 -0.437 839 HB VAL 101 HB VAL 101 -3.136 -4.327 -1.073 840 1HG1 VAL 101 1HG1 VAL 101 -0.469 -4.326 -1.020 841 2HG1 VAL 101 2HG1 VAL 101 -0.732 -5.658 0.106 842 3HG1 VAL 101 3HG1 VAL 101 -1.413 -4.067 0.448 843 1HG2 VAL 101 1HG2 VAL 101 -1.239 -6.172 -2.543 844 2HG2 VAL 101 2HG2 VAL 101 -1.826 -4.595 -3.062 845 3HG2 VAL 101 3HG2 VAL 101 -2.922 -5.974 -3.020 846 H ILE 102 H ILE 102 -5.069 -4.956 0.508 847 HA ILE 102 HA ILE 102 -4.069 -4.519 3.206 848 HB ILE 102 HB ILE 102 -6.892 -4.309 2.086 849 1HG1 ILE 102 1HG1 ILE 102 -5.258 -1.874 2.482 850 2HG1 ILE 102 2HG1 ILE 102 -4.677 -2.942 1.207 851 1HG2 ILE 102 1HG2 ILE 102 -5.605 -2.973 4.486 852 2HG2 ILE 102 2HG2 ILE 102 -6.766 -4.299 4.564 853 3HG2 ILE 102 3HG2 ILE 102 -7.260 -2.729 3.930 854 1HD1 ILE 102 1HD1 ILE 102 -6.478 -2.538 -0.129 855 2HD1 ILE 102 2HD1 ILE 102 -6.630 -1.076 0.844 856 3HD1 ILE 102 3HD1 ILE 102 -7.603 -2.497 1.229 857 H SER 103 H SER 103 -6.485 -6.802 1.813 858 HA SER 103 HA SER 103 -7.302 -7.984 4.312 859 1HB SER 103 1HB SER 103 -8.187 -8.228 1.825 860 2HB SER 103 2HB SER 103 -7.073 -9.591 1.774 861 HG SER 103 HG SER 103 -9.068 -10.309 2.497 862 H ALA 104 H ALA 104 -4.764 -9.021 1.963 863 HA ALA 104 HA ALA 104 -3.799 -11.283 3.420 864 1HB ALA 104 1HB ALA 104 -1.537 -10.382 2.261 865 2HB ALA 104 2HB ALA 104 -2.694 -9.362 1.410 866 3HB ALA 104 3HB ALA 104 -2.834 -11.117 1.320 867 H PHE 105 H PHE 105 -3.077 -7.798 3.839 868 HA PHE 105 HA PHE 105 -0.871 -7.991 5.643 869 1HB PHE 105 1HB PHE 105 -1.979 -5.933 4.535 870 2HB PHE 105 2HB PHE 105 -3.128 -5.980 5.870 871 HD1 PHE 105 HD1 PHE 105 -1.991 -6.204 8.289 872 HD2 PHE 105 HD2 PHE 105 -0.062 -4.653 4.785 873 HE1 PHE 105 HE1 PHE 105 -0.377 -4.996 9.711 874 HE2 PHE 105 HE2 PHE 105 1.558 -3.447 6.213 875 HZ PHE 105 HZ PHE 105 1.400 -3.626 8.677 876 H SER 106 H SER 106 -4.406 -8.030 6.325 877 HA SER 106 HA SER 106 -4.140 -8.192 9.199 878 1HB SER 106 1HB SER 106 -6.321 -9.173 7.321 879 2HB SER 106 2HB SER 106 -6.500 -9.046 9.069 880 HG SER 106 HG SER 106 -7.224 -7.199 7.736 881 H THR 107 H THR 107 -4.265 -10.734 6.664 882 HA THR 107 HA THR 107 -4.306 -12.938 8.573 883 HB THR 107 HB THR 107 -3.229 -13.039 5.738 884 HG1 THR 107 HG1 THR 107 -5.289 -13.037 5.010 885 1HG2 THR 107 1HG2 THR 107 -3.798 -15.288 5.800 886 2HG2 THR 107 2HG2 THR 107 -5.049 -15.046 7.018 887 3HG2 THR 107 3HG2 THR 107 -3.348 -15.021 7.483 888 H MET 108 H MET 108 -1.676 -11.205 6.838 889 HA MET 108 HA MET 108 0.405 -12.981 7.878 890 1HB MET 108 1HB MET 108 0.484 -10.164 6.742 891 2HB MET 108 2HB MET 108 1.907 -11.153 7.067 892 1HG MET 108 1HG MET 108 -0.353 -11.977 5.222 893 2HG MET 108 2HG MET 108 1.161 -11.259 4.674 894 1HE MET 108 1HE MET 108 -0.050 -15.315 5.214 895 2HE MET 108 2HE MET 108 -0.874 -13.841 5.717 896 3HE MET 108 3HE MET 108 0.040 -14.777 6.897 897 H MET 109 H MET 109 -1.044 -9.867 8.935 898 HA MET 109 HA MET 109 0.803 -9.245 11.036 899 1HB MET 109 1HB MET 109 -1.034 -7.759 10.231 900 2HB MET 109 2HB MET 109 -2.220 -8.847 10.951 901 1HG MET 109 1HG MET 109 -1.378 -8.410 13.172 902 2HG MET 109 2HG MET 109 -0.010 -7.503 12.528 903 1HE MET 109 1HE MET 109 -2.078 -6.012 14.779 904 2HE MET 109 2HE MET 109 -2.866 -7.500 14.261 905 3HE MET 109 3HE MET 109 -3.708 -5.962 14.095 906 H SER 110 H SER 110 -2.035 -11.494 11.010 907 HA SER 110 HA SER 110 -2.034 -12.090 13.822 908 1HB SER 110 1HB SER 110 -2.708 -13.725 11.361 909 2HB SER 110 2HB SER 110 -2.944 -14.354 12.989 910 HG SER 110 HG SER 110 -4.174 -12.159 11.710 911 H VAL 111 H VAL 111 0.138 -13.255 11.235 912 HA VAL 111 HA VAL 111 1.370 -15.290 12.961 913 HB VAL 111 HB VAL 111 2.297 -14.063 10.338 914 1HG1 VAL 111 1HG1 VAL 111 3.141 -16.483 11.935 915 2HG1 VAL 111 2HG1 VAL 111 4.153 -15.201 11.268 916 3HG1 VAL 111 3HG1 VAL 111 3.416 -16.391 10.195 917 1HG2 VAL 111 1HG2 VAL 111 0.281 -15.042 9.737 918 2HG2 VAL 111 2HG2 VAL 111 0.341 -16.218 11.050 919 3HG2 VAL 111 3HG2 VAL 111 1.343 -16.445 9.616 920 H HIS 112 H HIS 112 1.759 -11.824 12.729 921 HA HIS 112 HA HIS 112 4.578 -11.897 13.559 922 1HB HIS 112 1HB HIS 112 4.562 -9.750 12.791 923 2HB HIS 112 2HB HIS 112 3.002 -10.166 12.103 924 HD1 HIS 112 HD1 HIS 112 0.935 -9.745 14.030 925 HD2 HIS 112 HD2 HIS 112 4.413 -7.549 14.305 926 HE1 HIS 112 HE1 HIS 112 0.388 -7.766 15.487 927 H ARG 113 H ARG 113 1.370 -11.741 15.087 928 HA ARG 113 HA ARG 113 2.595 -10.874 17.664 929 1HB ARG 113 1HB ARG 113 0.137 -10.464 16.369 930 2HB ARG 113 2HB ARG 113 -0.248 -11.559 17.696 931 1HG ARG 113 1HG ARG 113 0.268 -10.009 19.307 932 2HG ARG 113 2HG ARG 113 1.552 -9.280 18.343 933 1HD ARG 113 1HD ARG 113 0.060 -7.584 17.998 934 2HD ARG 113 2HD ARG 113 -0.725 -8.698 16.861 935 HE ARG 113 HE ARG 113 -2.145 -9.471 18.774 936 1HH1 ARG 113 1HH2 ARG 113 -2.479 -6.443 18.190 937 2HH1 ARG 113 2HH2 ARG 113 -2.550 -5.827 19.807 938 1HH2 ARG 113 1HH1 ARG 113 -1.318 -8.727 21.251 939 2HH2 ARG 113 2HH1 ARG 113 -1.894 -7.120 21.540 940 H GLY 114 H GLY 114 1.121 -13.784 16.156 941 1HA GLY 114 1HA GLY 114 0.680 -15.346 18.457 942 2HA GLY 114 2HA GLY 114 1.125 -16.007 16.885 943 H GLU 115 H GLU 115 3.754 -14.765 16.696 944 HA GLU 115 HA GLU 115 5.383 -16.703 18.007 945 1HB GLU 115 1HB GLU 115 5.820 -14.024 16.734 946 2HB GLU 115 2HB GLU 115 7.153 -14.728 17.650 947 1HG GLU 115 1HG GLU 115 6.948 -16.809 16.305 948 2HG GLU 115 2HG GLU 115 5.675 -16.046 15.354 949 H VAL 116 H VAL 116 4.431 -13.417 19.115 950 HA VAL 116 HA VAL 116 5.643 -14.085 21.781 951 HB VAL 116 HB VAL 116 5.230 -11.420 20.376 952 1HG1 VAL 116 1HG1 VAL 116 5.063 -11.010 22.720 953 2HG1 VAL 116 2HG1 VAL 116 6.732 -10.629 22.299 954 3HG1 VAL 116 3HG1 VAL 116 6.350 -12.159 23.087 955 1HG2 VAL 116 1HG2 VAL 116 7.135 -13.230 19.775 956 2HG2 VAL 116 2HG2 VAL 116 7.917 -12.452 21.151 957 3HG2 VAL 116 3HG2 VAL 116 7.443 -11.493 19.749 958 HA PRO 117 HA PRO 117 1.074 -13.643 22.330 959 1HB PRO 117 1HB PRO 117 0.816 -15.631 24.192 960 2HB PRO 117 2HB PRO 117 0.774 -15.934 22.444 961 1HG PRO 117 1HG PRO 117 2.996 -16.331 24.380 962 2HG PRO 117 2HG PRO 117 2.514 -17.322 22.994 963 1HD PRO 117 1HD PRO 117 4.624 -15.586 22.957 964 2HD PRO 117 2HD PRO 117 3.704 -16.054 21.510 965 H CYS 118 H CYS 118 0.025 -12.565 24.133 966 HA CYS 118 HA CYS 118 1.612 -12.245 26.635 967 1HB CYS 118 1HB CYS 118 1.351 -9.775 26.439 968 2HB CYS 118 2HB CYS 118 2.293 -10.442 25.109 969 HG CYS 118 HG CYS 118 -0.622 -9.364 24.868 970 H THR 119 H THR 119 0.268 -11.885 28.484 971 HA THR 119 HA THR 119 -1.737 -11.961 29.726 972 HB THR 119 HB THR 119 -2.716 -10.351 27.346 973 HG1 THR 119 HG1 THR 119 -0.912 -9.345 28.017 974 1HG2 THR 119 1HG2 THR 119 -4.181 -11.221 29.436 975 2HG2 THR 119 2HG2 THR 119 -4.454 -9.659 28.666 976 3HG2 THR 119 3HG2 THR 119 -3.504 -9.756 30.148 977 H VAL 120 H VAL 120 -2.063 -14.324 29.344 978 HA VAL 120 HA VAL 120 -4.438 -14.826 27.601 979 HB VAL 120 HB VAL 120 -2.396 -15.396 26.351 980 1HG1 VAL 120 1HG1 VAL 120 -0.636 -15.925 27.699 981 2HG1 VAL 120 2HG1 VAL 120 -1.244 -17.570 27.526 982 3HG1 VAL 120 3HG1 VAL 120 -1.667 -16.619 28.949 983 1HG2 VAL 120 1HG2 VAL 120 -3.341 -18.097 27.180 984 2HG2 VAL 120 2HG2 VAL 120 -3.213 -17.397 25.567 985 3HG2 VAL 120 3HG2 VAL 120 -4.572 -16.970 26.608 986 1H GLN 1 1H GLN 1 7.118 -5.555 -24.911 987 2H GLN 1 2H GLN 1 6.127 -6.935 -24.893 988 3H GLN 1 3H GLN 1 7.492 -6.879 -25.903 989 HA GLN 1 HA GLN 1 7.884 -8.252 -23.910 990 1HB GLN 1 1HB GLN 1 9.624 -6.988 -25.201 991 2HB GLN 1 2HB GLN 1 9.428 -5.644 -24.075 992 1HG GLN 1 1HG GLN 1 9.856 -7.493 -22.249 993 2HG GLN 1 2HG GLN 1 10.604 -8.362 -23.590 994 1HE2 GLN 1 1HE2 GLN 1 10.917 -5.492 -21.503 995 2HE2 GLN 1 2HE2 GLN 1 12.475 -5.076 -22.034 996 H LYS 2 H LYS 2 6.523 -8.343 -22.057 997 HA LYS 2 HA LYS 2 6.771 -6.037 -20.157 998 1HB LYS 2 1HB LYS 2 4.614 -6.114 -21.480 999 2HB LYS 2 2HB LYS 2 4.273 -7.665 -20.713 1000 1HG LYS 2 1HG LYS 2 4.789 -6.295 -18.496 1001 2HG LYS 2 2HG LYS 2 4.325 -4.926 -19.510 1002 1HD LYS 2 1HD LYS 2 2.181 -5.955 -20.010 1003 2HD LYS 2 2HD LYS 2 2.645 -7.424 -19.151 1004 1HE LYS 2 1HE LYS 2 1.469 -6.373 -17.451 1005 2HE LYS 2 2HE LYS 2 3.057 -5.631 -17.172 1006 1HZ LYS 2 1HZ LYS 2 2.425 -3.870 -18.749 1007 2HZ LYS 2 2HZ LYS 2 1.410 -3.905 -17.387 1008 3HZ LYS 2 3HZ LYS 2 0.872 -4.542 -18.868 1009 H THR 3 H THR 3 8.454 -7.515 -19.132 1010 HA THR 3 HA THR 3 7.121 -9.491 -17.332 1011 HB THR 3 HB THR 3 9.694 -10.011 -18.850 1012 HG1 THR 3 HG1 THR 3 8.203 -10.036 -20.415 1013 1HG2 THR 3 1HG2 THR 3 7.793 -11.914 -17.460 1014 2HG2 THR 3 2HG2 THR 3 9.242 -11.251 -16.704 1015 3HG2 THR 3 3HG2 THR 3 9.384 -12.290 -18.120 1016 H GLY 4 H GLY 4 7.838 -6.965 -16.417 1017 1HA GLY 4 1HA GLY 4 10.530 -7.309 -15.175 1018 2HA GLY 4 2HA GLY 4 9.677 -5.772 -15.327 1019 H THR 5 H THR 5 9.645 -8.899 -13.582 1020 HA THR 5 HA THR 5 8.323 -7.493 -11.302 1021 HB THR 5 HB THR 5 7.509 -10.188 -12.439 1022 HG1 THR 5 HG1 THR 5 5.852 -9.137 -13.375 1023 1HG2 THR 5 1HG2 THR 5 5.499 -9.734 -10.935 1024 2HG2 THR 5 2HG2 THR 5 6.453 -8.439 -10.211 1025 3HG2 THR 5 3HG2 THR 5 7.010 -10.110 -10.107 1026 H ALA 6 H ALA 6 9.837 -7.753 -9.639 1027 HA ALA 6 HA ALA 6 10.881 -10.506 -9.146 1028 1HB ALA 6 1HB ALA 6 12.328 -8.629 -10.508 1029 2HB ALA 6 2HB ALA 6 13.056 -9.894 -9.519 1030 3HB ALA 6 3HB ALA 6 12.816 -8.281 -8.848 1031 H GLU 7 H GLU 7 8.847 -9.292 -7.598 1032 HA GLU 7 HA GLU 7 8.328 -8.691 -5.374 1033 1HB GLU 7 1HB GLU 7 10.156 -10.666 -5.329 1034 2HB GLU 7 2HB GLU 7 11.103 -9.408 -4.532 1035 1HG GLU 7 1HG GLU 7 10.031 -10.201 -2.669 1036 2HG GLU 7 2HG GLU 7 8.763 -9.105 -3.216 1037 H VAL 8 H VAL 8 9.135 -6.519 -6.975 1038 HA VAL 8 HA VAL 8 11.315 -4.943 -6.059 1039 HB VAL 8 HB VAL 8 10.019 -3.005 -6.894 1040 1HG1 VAL 8 1HG1 VAL 8 10.175 -3.656 -9.078 1041 2HG1 VAL 8 2HG1 VAL 8 9.224 -5.119 -8.820 1042 3HG1 VAL 8 3HG1 VAL 8 10.927 -5.082 -8.360 1043 1HG2 VAL 8 1HG2 VAL 8 7.673 -3.603 -7.825 1044 2HG2 VAL 8 2HG2 VAL 8 7.821 -3.322 -6.091 1045 3HG2 VAL 8 3HG2 VAL 8 7.728 -4.967 -6.711 1046 H SER 9 H SER 9 8.062 -5.324 -4.604 1047 HA SER 9 HA SER 9 8.320 -3.235 -2.630 1048 1HB SER 9 1HB SER 9 6.280 -4.728 -3.346 1049 2HB SER 9 2HB SER 9 6.880 -5.842 -2.122 1050 HG SER 9 HG SER 9 5.295 -4.107 -1.506 1051 H SER 10 H SER 10 9.271 -6.705 -2.583 1052 HA SER 10 HA SER 10 10.203 -6.669 0.176 1053 1HB SER 10 1HB SER 10 9.702 -8.774 -0.925 1054 2HB SER 10 2HB SER 10 10.839 -8.423 -2.223 1055 HG SER 10 HG SER 10 11.839 -9.781 -0.761 1056 H ILE 11 H ILE 11 11.837 -6.132 -2.981 1057 HA ILE 11 HA ILE 11 14.499 -5.834 -1.876 1058 HB ILE 11 HB ILE 11 13.239 -4.655 -4.386 1059 1HG1 ILE 11 1HG1 ILE 11 15.064 -7.002 -4.478 1060 2HG1 ILE 11 2HG1 ILE 11 13.465 -7.293 -3.795 1061 1HG2 ILE 11 1HG2 ILE 11 15.735 -4.851 -5.128 1062 2HG2 ILE 11 2HG2 ILE 11 16.077 -4.862 -3.398 1063 3HG2 ILE 11 3HG2 ILE 11 15.258 -3.480 -4.125 1064 1HD1 ILE 11 1HD1 ILE 11 13.910 -7.451 -6.426 1065 2HD1 ILE 11 2HD1 ILE 11 13.613 -5.716 -6.325 1066 3HD1 ILE 11 3HD1 ILE 11 12.380 -6.855 -5.782 1067 H LEU 12 H LEU 12 11.841 -3.489 -2.487 1068 HA LEU 12 HA LEU 12 13.292 -1.095 -1.858 1069 1HB LEU 12 1HB LEU 12 10.422 -1.973 -1.799 1070 2HB LEU 12 2HB LEU 12 10.836 -0.434 -1.045 1071 HG LEU 12 HG LEU 12 11.762 -1.127 -3.835 1072 1HD1 LEU 12 1HD1 LEU 12 9.235 0.368 -3.074 1073 2HD1 LEU 12 2HD1 LEU 12 9.269 -1.280 -3.702 1074 3HD1 LEU 12 3HD1 LEU 12 9.820 0.060 -4.709 1075 1HD2 LEU 12 1HD2 LEU 12 11.126 1.612 -2.795 1076 2HD2 LEU 12 2HD2 LEU 12 12.338 1.121 -3.977 1077 3HD2 LEU 12 3HD2 LEU 12 12.614 0.833 -2.259 1078 H GLU 13 H GLU 13 11.676 -3.477 0.292 1079 HA GLU 13 HA GLU 13 11.808 -2.004 2.737 1080 1HB GLU 13 1HB GLU 13 10.643 -4.193 2.375 1081 2HB GLU 13 2HB GLU 13 12.216 -4.988 2.318 1082 1HG GLU 13 1HG GLU 13 12.574 -3.761 4.632 1083 2HG GLU 13 2HG GLU 13 10.811 -3.737 4.652 1084 H GLU 14 H GLU 14 14.319 -4.008 1.124 1085 HA GLU 14 HA GLU 14 16.265 -3.967 3.232 1086 1HB GLU 14 1HB GLU 14 16.252 -5.247 0.986 1087 2HB GLU 14 2HB GLU 14 16.921 -3.776 0.281 1088 1HG GLU 14 1HG GLU 14 18.221 -4.786 2.762 1089 2HG GLU 14 2HG GLU 14 18.482 -5.720 1.288 1090 H ARG 15 H ARG 15 15.622 -1.580 0.624 1091 HA ARG 15 HA ARG 15 17.843 0.157 1.116 1092 1HB ARG 15 1HB ARG 15 16.228 0.259 -0.811 1093 2HB ARG 15 2HB ARG 15 15.024 0.934 0.287 1094 1HG ARG 15 1HG ARG 15 16.167 2.946 0.526 1095 2HG ARG 15 2HG ARG 15 17.727 2.224 0.131 1096 1HD ARG 15 1HD ARG 15 17.294 2.238 -2.185 1097 2HD ARG 15 2HD ARG 15 15.539 2.361 -1.947 1098 HE ARG 15 HE ARG 15 15.792 4.695 -1.590 1099 1HH1 ARG 15 1HH1 ARG 15 18.081 4.274 0.418 1100 2HH1 ARG 15 2HH1 ARG 15 19.353 5.161 -0.355 1101 1HH2 ARG 15 1HH2 ARG 15 17.744 5.309 -3.423 1102 2HH2 ARG 15 2HH2 ARG 15 19.162 5.746 -2.528 1103 H ILE 16 H ILE 16 14.673 -0.059 2.787 1104 HA ILE 16 HA ILE 16 15.344 2.299 4.470 1105 HB ILE 16 HB ILE 16 12.981 0.386 4.529 1106 1HG1 ILE 16 1HG1 ILE 16 13.101 3.164 3.326 1107 2HG1 ILE 16 2HG1 ILE 16 13.373 1.705 2.372 1108 1HG2 ILE 16 1HG2 ILE 16 11.872 2.154 5.802 1109 2HG2 ILE 16 2HG2 ILE 16 13.304 3.175 5.678 1110 3HG2 ILE 16 3HG2 ILE 16 13.362 1.686 6.621 1111 1HD1 ILE 16 1HD1 ILE 16 10.857 2.749 3.555 1112 2HD1 ILE 16 2HD1 ILE 16 11.083 1.002 3.633 1113 3HD1 ILE 16 3HD1 ILE 16 11.107 1.825 2.074 1114 H LEU 17 H LEU 17 14.987 -1.263 4.833 1115 HA LEU 17 HA LEU 17 16.103 -0.994 7.607 1116 1HB LEU 17 1HB LEU 17 14.033 -2.646 6.287 1117 2HB LEU 17 2HB LEU 17 15.085 -3.536 7.383 1118 HG LEU 17 HG LEU 17 13.099 -2.667 8.566 1119 1HD1 LEU 17 1HD1 LEU 17 15.642 -2.623 9.459 1120 2HD1 LEU 17 2HD1 LEU 17 14.277 -2.108 10.451 1121 3HD1 LEU 17 3HD1 LEU 17 15.259 -0.908 9.611 1122 1HD2 LEU 17 1HD2 LEU 17 12.494 -0.416 8.605 1123 2HD2 LEU 17 2HD2 LEU 17 13.094 -0.575 6.955 1124 3HD2 LEU 17 3HD2 LEU 17 14.120 0.135 8.201 1125 H GLY 18 H GLY 18 18.344 -1.346 7.464 1126 1HA GLY 18 1HA GLY 18 19.316 -3.389 5.533 1127 2HA GLY 18 2HA GLY 18 20.320 -2.186 6.345 1128 H ALA 19 H ALA 19 21.745 -3.313 7.662 1129 HA ALA 19 HA ALA 19 22.514 -4.847 9.282 1130 1HB ALA 19 1HB ALA 19 20.722 -3.366 10.419 1131 2HB ALA 19 2HB ALA 19 21.152 -4.873 11.227 1132 3HB ALA 19 3HB ALA 19 19.664 -4.770 10.286 1133 H ASP 20 H ASP 20 21.544 -6.067 6.788 1134 HA ASP 20 HA ASP 20 20.766 -8.736 7.882 1135 1HB ASP 20 1HB ASP 20 18.887 -7.123 6.904 1136 2HB ASP 20 2HB ASP 20 19.504 -7.714 5.361 1137 H THR 21 H THR 21 23.382 -8.296 7.188 1138 HA THR 21 HA THR 21 23.628 -9.336 4.381 1139 HB THR 21 HB THR 21 25.943 -8.314 4.586 1140 HG1 THR 21 HG1 THR 21 26.227 -8.169 6.742 1141 1HG2 THR 21 1HG2 THR 21 25.010 -5.909 4.605 1142 2HG2 THR 21 2HG2 THR 21 23.434 -6.661 4.850 1143 3HG2 THR 21 3HG2 THR 21 24.365 -7.017 3.395 1144 H SER 22 H SER 22 23.062 -11.385 6.050 1145 HA SER 22 HA SER 22 25.720 -12.671 6.528 1146 1HB SER 22 1HB SER 22 23.459 -13.081 8.451 1147 2HB SER 22 2HB SER 22 25.195 -13.139 8.745 1148 HG SER 22 HG SER 22 23.886 -11.218 9.483 1149 H VAL 23 H VAL 23 24.854 -15.155 7.412 1150 HA VAL 23 HA VAL 23 22.839 -16.050 5.382 1151 HB VAL 23 HB VAL 23 24.373 -17.962 4.917 1152 1HG1 VAL 23 1HG1 VAL 23 24.467 -16.007 3.465 1153 2HG1 VAL 23 2HG1 VAL 23 26.102 -16.624 3.709 1154 3HG1 VAL 23 3HG1 VAL 23 25.560 -15.192 4.585 1155 1HG2 VAL 23 1HG2 VAL 23 26.365 -18.280 6.016 1156 2HG2 VAL 23 2HG2 VAL 23 25.537 -17.398 7.298 1157 3HG2 VAL 23 3HG2 VAL 23 26.647 -16.552 6.221 1158 H ASP 24 H ASP 24 22.400 -15.627 8.254 1159 HA ASP 24 HA ASP 24 21.608 -18.397 8.979 1160 1HB ASP 24 1HB ASP 24 23.980 -17.817 9.787 1161 2HB ASP 24 2HB ASP 24 23.206 -16.670 10.881 1162 H LEU 25 H LEU 25 19.508 -17.057 8.459 1163 HA LEU 25 HA LEU 25 18.661 -15.569 10.927 1164 1HB LEU 25 1HB LEU 25 18.991 -14.560 8.421 1165 2HB LEU 25 2HB LEU 25 17.309 -15.082 8.329 1166 HG LEU 25 HG LEU 25 17.241 -13.887 10.737 1167 1HD1 LEU 25 1HD1 LEU 25 18.597 -11.657 10.137 1168 2HD1 LEU 25 2HD1 LEU 25 19.625 -12.816 9.294 1169 3HD1 LEU 25 3HD1 LEU 25 19.343 -12.985 11.026 1170 1HD2 LEU 25 1HD2 LEU 25 17.137 -12.313 8.148 1171 2HD2 LEU 25 2HD2 LEU 25 16.231 -11.993 9.626 1172 3HD2 LEU 25 3HD2 LEU 25 15.867 -13.423 8.661 Start of MODEL 27 1 1H PHE 1 1H PHE 1 -13.633 -24.784 11.575 2 2H PHE 1 2H PHE 1 -14.730 -25.816 10.788 3 3H PHE 1 3H PHE 1 -13.890 -24.631 9.906 4 HA PHE 1 HA PHE 1 -12.966 -26.897 9.588 5 1HB PHE 1 1HB PHE 1 -11.820 -24.471 9.715 6 2HB PHE 1 2HB PHE 1 -10.948 -25.241 11.041 7 HD1 PHE 1 HD1 PHE 1 -10.736 -24.567 7.662 8 HD2 PHE 1 HD2 PHE 1 -10.317 -27.850 10.401 9 HE1 PHE 1 HE1 PHE 1 -9.286 -25.744 6.030 10 HE2 PHE 1 HE2 PHE 1 -8.867 -29.026 8.769 11 HZ PHE 1 HZ PHE 1 -8.352 -27.974 6.583 12 H ALA 2 H ALA 2 -13.722 -28.588 11.059 13 HA ALA 2 HA ALA 2 -12.241 -28.698 13.670 14 1HB ALA 2 1HB ALA 2 -14.304 -30.211 14.216 15 2HB ALA 2 2HB ALA 2 -15.025 -29.454 12.796 16 3HB ALA 2 3HB ALA 2 -14.532 -28.463 14.169 17 H LYS 3 H LYS 3 -13.995 -31.012 11.500 18 HA LYS 3 HA LYS 3 -11.608 -32.822 11.719 19 1HB LYS 3 1HB LYS 3 -14.558 -33.195 11.999 20 2HB LYS 3 2HB LYS 3 -13.643 -34.513 11.265 21 1HG LYS 3 1HG LYS 3 -12.077 -34.432 13.231 22 2HG LYS 3 2HG LYS 3 -13.161 -33.260 13.982 23 1HD LYS 3 1HD LYS 3 -14.394 -35.774 12.967 24 2HD LYS 3 2HD LYS 3 -13.395 -35.902 14.415 25 1HE LYS 3 1HE LYS 3 -14.732 -34.155 15.521 26 2HE LYS 3 2HE LYS 3 -15.723 -33.978 14.060 27 1HZ LYS 3 1HZ LYS 3 -15.327 -36.552 15.486 28 2HZ LYS 3 2HZ LYS 3 -16.403 -36.241 14.207 29 3HZ LYS 3 3HZ LYS 3 -16.666 -35.542 15.734 30 H LEU 4 H LEU 4 -10.830 -31.774 9.642 31 HA LEU 4 HA LEU 4 -12.188 -33.009 7.282 32 1HB LEU 4 1HB LEU 4 -11.768 -30.146 7.969 33 2HB LEU 4 2HB LEU 4 -11.440 -30.596 6.295 34 HG LEU 4 HG LEU 4 -13.965 -31.548 7.616 35 1HD1 LEU 4 1HD1 LEU 4 -14.994 -29.435 6.515 36 2HD1 LEU 4 2HD1 LEU 4 -13.359 -28.779 6.585 37 3HD1 LEU 4 3HD1 LEU 4 -14.189 -29.244 8.071 38 1HD2 LEU 4 1HD2 LEU 4 -13.324 -32.427 5.405 39 2HD2 LEU 4 2HD2 LEU 4 -13.201 -30.783 4.779 40 3HD2 LEU 4 3HD2 LEU 4 -14.768 -31.422 5.274 41 H VAL 5 H VAL 5 -10.592 -32.505 5.247 42 HA VAL 5 HA VAL 5 -7.755 -32.775 6.177 43 HB VAL 5 HB VAL 5 -9.222 -34.443 4.101 44 1HG1 VAL 5 1HG1 VAL 5 -6.591 -33.862 4.033 45 2HG1 VAL 5 2HG1 VAL 5 -7.221 -35.441 3.567 46 3HG1 VAL 5 3HG1 VAL 5 -6.550 -35.201 5.181 47 1HG2 VAL 5 1HG2 VAL 5 -9.946 -35.178 6.251 48 2HG2 VAL 5 2HG2 VAL 5 -8.336 -34.979 6.943 49 3HG2 VAL 5 3HG2 VAL 5 -8.650 -36.287 5.800 50 H ARG 6 H ARG 6 -7.742 -30.403 5.447 51 HA ARG 6 HA ARG 6 -7.294 -30.262 2.491 52 1HB ARG 6 1HB ARG 6 -9.138 -28.702 4.269 53 2HB ARG 6 2HB ARG 6 -8.404 -27.881 2.892 54 1HG ARG 6 1HG ARG 6 -9.335 -29.472 1.345 55 2HG ARG 6 2HG ARG 6 -9.872 -30.519 2.660 56 1HD ARG 6 1HD ARG 6 -11.296 -28.526 3.457 57 2HD ARG 6 2HD ARG 6 -10.973 -27.816 1.863 58 HE ARG 6 HE ARG 6 -12.488 -30.322 2.359 59 1HH1 ARG 6 1HH2 ARG 6 -12.652 -27.572 0.614 60 2HH1 ARG 6 2HH2 ARG 6 -12.842 -28.305 -0.943 61 1HH2 ARG 6 1HH1 ARG 6 -12.047 -31.493 0.169 62 2HH2 ARG 6 2HH1 ARG 6 -12.500 -30.525 -1.195 63 HA PRO 7 HA PRO 7 -3.663 -28.085 3.736 64 1HB PRO 7 1HB PRO 7 -3.250 -26.419 1.605 65 2HB PRO 7 2HB PRO 7 -2.948 -28.166 1.537 66 1HG PRO 7 1HG PRO 7 -5.269 -26.606 0.521 67 2HG PRO 7 2HG PRO 7 -4.447 -28.003 -0.193 68 1HD PRO 7 1HD PRO 7 -6.825 -28.167 1.135 69 2HD PRO 7 2HD PRO 7 -5.662 -29.506 1.028 70 HA PRO 8 HA PRO 8 -5.187 -24.331 5.541 71 1HB PRO 8 1HB PRO 8 -2.832 -23.201 6.355 72 2HB PRO 8 2HB PRO 8 -3.578 -24.580 7.186 73 1HG PRO 8 1HG PRO 8 -1.315 -24.532 5.256 74 2HG PRO 8 2HG PRO 8 -1.544 -25.523 6.705 75 1HD PRO 8 1HD PRO 8 -1.956 -26.436 4.165 76 2HD PRO 8 2HD PRO 8 -2.783 -27.091 5.595 77 H VAL 9 H VAL 9 -4.959 -21.872 5.240 78 HA VAL 9 HA VAL 9 -3.564 -21.126 2.702 79 HB VAL 9 HB VAL 9 -6.466 -20.588 3.436 80 1HG1 VAL 9 1HG1 VAL 9 -6.455 -19.797 0.966 81 2HG1 VAL 9 2HG1 VAL 9 -4.705 -19.694 1.153 82 3HG1 VAL 9 3HG1 VAL 9 -5.759 -18.718 2.175 83 1HG2 VAL 9 1HG2 VAL 9 -5.132 -22.448 1.454 84 2HG2 VAL 9 2HG2 VAL 9 -6.823 -21.972 1.308 85 3HG2 VAL 9 3HG2 VAL 9 -6.278 -22.864 2.728 86 H GLN 10 H GLN 10 -2.250 -19.380 3.248 87 HA GLN 10 HA GLN 10 -3.253 -17.494 5.360 88 1HB GLN 10 1HB GLN 10 -0.470 -18.381 4.537 89 2HB GLN 10 2HB GLN 10 -0.785 -17.109 5.720 90 1HG GLN 10 1HG GLN 10 -2.291 -18.888 6.883 91 2HG GLN 10 2HG GLN 10 -1.385 -20.052 5.915 92 1HE2 GLN 10 1HE2 GLN 10 1.133 -19.839 6.130 93 2HE2 GLN 10 2HE2 GLN 10 1.728 -19.405 7.659 94 H ILE 11 H ILE 11 -1.007 -17.540 2.508 95 HA ILE 11 HA ILE 11 -2.080 -14.827 1.820 96 HB ILE 11 HB ILE 11 0.182 -14.846 2.795 97 1HG1 ILE 11 1HG1 ILE 11 1.233 -13.951 0.412 98 2HG1 ILE 11 2HG1 ILE 11 -0.502 -13.882 0.093 99 1HG2 ILE 11 1HG2 ILE 11 1.052 -16.973 2.177 100 2HG2 ILE 11 2HG2 ILE 11 2.025 -15.800 1.291 101 3HG2 ILE 11 3HG2 ILE 11 0.745 -16.687 0.465 102 1HD1 ILE 11 1HD1 ILE 11 1.102 -12.408 2.159 103 2HD1 ILE 11 2HD1 ILE 11 -0.596 -12.763 2.480 104 3HD1 ILE 11 3HD1 ILE 11 -0.145 -11.799 1.071 105 H TYR 12 H TYR 12 -2.527 -14.461 -0.410 106 HA TYR 12 HA TYR 12 -1.956 -16.650 -2.350 107 1HB TYR 12 1HB TYR 12 -4.653 -16.203 -2.780 108 2HB TYR 12 2HB TYR 12 -4.015 -17.544 -1.838 109 HD1 TYR 12 HD1 TYR 12 -5.898 -14.412 -1.719 110 HD2 TYR 12 HD2 TYR 12 -3.822 -17.327 0.657 111 HE1 TYR 12 HE1 TYR 12 -6.958 -13.509 0.334 112 HE2 TYR 12 HE2 TYR 12 -4.851 -16.418 2.700 113 HH TYR 12 HH TYR 12 -7.290 -14.994 3.041 114 H GLY 13 H GLY 13 -0.669 -14.863 -3.392 115 1HA GLY 13 1HA GLY 13 -1.324 -13.698 -5.607 116 2HA GLY 13 2HA GLY 13 -2.386 -12.735 -4.580 117 H ILE 14 H ILE 14 0.665 -12.790 -5.991 118 HA ILE 14 HA ILE 14 2.497 -11.742 -4.139 119 HB ILE 14 HB ILE 14 3.004 -12.195 -6.512 120 1HG1 ILE 14 1HG1 ILE 14 4.403 -10.207 -6.977 121 2HG1 ILE 14 2HG1 ILE 14 3.510 -9.293 -5.763 122 1HG2 ILE 14 1HG2 ILE 14 1.756 -9.575 -7.288 123 2HG2 ILE 14 2HG2 ILE 14 0.745 -11.016 -7.195 124 3HG2 ILE 14 3HG2 ILE 14 2.123 -10.976 -8.294 125 1HD1 ILE 14 1HD1 ILE 14 4.579 -11.857 -4.779 126 2HD1 ILE 14 2HD1 ILE 14 4.633 -10.255 -4.041 127 3HD1 ILE 14 3HD1 ILE 14 5.819 -10.701 -5.268 128 H GLU 15 H GLU 15 -0.284 -10.006 -5.581 129 HA GLU 15 HA GLU 15 0.383 -7.333 -4.889 130 1HB GLU 15 1HB GLU 15 -2.075 -8.891 -5.406 131 2HB GLU 15 2HB GLU 15 -2.333 -7.492 -4.372 132 1HG GLU 15 1HG GLU 15 -2.481 -6.367 -6.353 133 2HG GLU 15 2HG GLU 15 -0.719 -6.397 -6.273 134 H GLY 16 H GLY 16 -0.886 -9.954 -2.791 135 1HA GLY 16 1HA GLY 16 -1.263 -8.238 -0.480 136 2HA GLY 16 2HA GLY 16 -1.155 -10.003 -0.448 137 H ARG 17 H ARG 17 1.430 -10.279 -1.698 138 HA ARG 17 HA ARG 17 3.203 -10.024 0.524 139 1HB ARG 17 1HB ARG 17 3.473 -10.451 -2.429 140 2HB ARG 17 2HB ARG 17 4.937 -10.071 -1.520 141 1HG ARG 17 1HG ARG 17 4.635 -11.964 -0.076 142 2HG ARG 17 2HG ARG 17 3.009 -12.254 -0.696 143 1HD ARG 17 1HD ARG 17 3.823 -13.030 -2.791 144 2HD ARG 17 2HD ARG 17 5.436 -12.345 -2.506 145 HE ARG 17 HE ARG 17 5.696 -14.029 -0.665 146 1HH1 ARG 17 1HH1 ARG 17 2.598 -14.601 -1.055 147 2HH1 ARG 17 2HH1 ARG 17 2.700 -16.220 -1.661 148 1HH2 ARG 17 1HH2 ARG 17 6.105 -16.054 -2.293 149 2HH2 ARG 17 2HH2 ARG 17 4.685 -17.044 -2.360 150 H TYR 18 H TYR 18 2.324 -7.608 -1.951 151 HA TYR 18 HA TYR 18 4.539 -5.819 -1.672 152 1HB TYR 18 1HB TYR 18 1.689 -5.659 -2.503 153 2HB TYR 18 2HB TYR 18 2.371 -4.138 -1.957 154 HD1 TYR 18 HD1 TYR 18 2.652 -2.891 -3.901 155 HD2 TYR 18 HD2 TYR 18 4.058 -6.948 -3.785 156 HE1 TYR 18 HE1 TYR 18 3.721 -2.579 -6.109 157 HE2 TYR 18 HE2 TYR 18 5.138 -6.635 -5.996 158 HH TYR 18 HH TYR 18 6.000 -4.110 -7.280 159 H ALA 19 H ALA 19 1.447 -5.903 0.175 160 HA ALA 19 HA ALA 19 2.339 -3.831 2.045 161 1HB ALA 19 1HB ALA 19 0.181 -3.951 2.759 162 2HB ALA 19 2HB ALA 19 0.279 -5.691 3.023 163 3HB ALA 19 3HB ALA 19 -0.078 -5.062 1.412 164 H THR 20 H THR 20 2.363 -7.419 2.030 165 HA THR 20 HA THR 20 3.244 -7.671 4.769 166 HB THR 20 HB THR 20 4.100 -9.771 2.884 167 HG1 THR 20 HG1 THR 20 1.996 -10.293 2.286 168 1HG2 THR 20 1HG2 THR 20 2.318 -10.915 4.534 169 2HG2 THR 20 2HG2 THR 20 2.656 -9.465 5.482 170 3HG2 THR 20 3HG2 THR 20 3.969 -10.562 5.045 171 H ALA 21 H ALA 21 5.019 -7.221 1.688 172 HA ALA 21 HA ALA 21 7.624 -7.639 3.016 173 1HB ALA 21 1HB ALA 21 6.732 -7.749 0.428 174 2HB ALA 21 2HB ALA 21 8.432 -7.593 0.870 175 3HB ALA 21 3HB ALA 21 7.497 -6.159 0.448 176 H LEU 22 H LEU 22 5.376 -5.030 2.983 177 HA LEU 22 HA LEU 22 7.533 -2.988 3.346 178 1HB LEU 22 1HB LEU 22 5.627 -2.502 1.815 179 2HB LEU 22 2HB LEU 22 4.505 -2.753 3.152 180 HG LEU 22 HG LEU 22 6.231 -0.936 4.255 181 1HD1 LEU 22 1HD1 LEU 22 6.315 -0.668 1.290 182 2HD1 LEU 22 2HD1 LEU 22 7.526 -0.230 2.496 183 3HD1 LEU 22 3HD1 LEU 22 6.138 0.821 2.220 184 1HD2 LEU 22 1HD2 LEU 22 3.590 -0.802 2.885 185 2HD2 LEU 22 2HD2 LEU 22 4.378 0.737 3.235 186 3HD2 LEU 22 3HD2 LEU 22 4.018 -0.389 4.546 187 H TYR 23 H TYR 23 4.709 -4.447 5.036 188 HA TYR 23 HA TYR 23 5.291 -2.952 7.461 189 1HB TYR 23 1HB TYR 23 3.217 -3.659 7.990 190 2HB TYR 23 2HB TYR 23 3.142 -4.467 6.434 191 HD1 TYR 23 HD1 TYR 23 4.207 -4.905 9.954 192 HD2 TYR 23 HD2 TYR 23 3.025 -6.810 6.328 193 HE1 TYR 23 HE1 TYR 23 4.152 -7.067 11.138 194 HE2 TYR 23 HE2 TYR 23 2.997 -8.994 7.458 195 HH TYR 23 HH TYR 23 2.686 -9.780 9.976 196 H SER 24 H SER 24 6.784 -5.759 5.989 197 HA SER 24 HA SER 24 7.549 -7.343 8.216 198 1HB SER 24 1HB SER 24 9.569 -7.871 6.864 199 2HB SER 24 2HB SER 24 8.132 -7.827 5.846 200 HG SER 24 HG SER 24 10.217 -5.947 6.105 201 H ALA 25 H ALA 25 8.930 -4.240 7.065 202 HA ALA 25 HA ALA 25 10.905 -4.090 9.244 203 1HB ALA 25 1HB ALA 25 9.758 -1.814 7.585 204 2HB ALA 25 2HB ALA 25 10.987 -2.908 6.950 205 3HB ALA 25 3HB ALA 25 11.347 -1.893 8.347 206 H ALA 26 H ALA 26 7.622 -2.795 8.537 207 HA ALA 26 HA ALA 26 7.242 -1.160 10.843 208 1HB ALA 26 1HB ALA 26 5.254 -3.004 9.453 209 2HB ALA 26 2HB ALA 26 5.656 -1.374 8.928 210 3HB ALA 26 3HB ALA 26 4.828 -1.627 10.462 211 H SER 27 H SER 27 6.744 -4.707 10.481 212 HA SER 27 HA SER 27 5.706 -5.197 13.130 213 1HB SER 27 1HB SER 27 5.856 -7.404 12.482 214 2HB SER 27 2HB SER 27 6.220 -6.717 10.906 215 HG SER 27 HG SER 27 7.743 -8.321 11.748 216 H LYS 28 H LYS 28 9.081 -5.093 11.891 217 HA LYS 28 HA LYS 28 10.447 -5.917 14.239 218 1HB LYS 28 1HB LYS 28 11.058 -4.198 11.878 219 2HB LYS 28 2HB LYS 28 12.163 -4.087 13.247 220 1HG LYS 28 1HG LYS 28 12.690 -6.400 13.151 221 2HG LYS 28 2HG LYS 28 11.316 -6.749 12.101 222 1HD LYS 28 1HD LYS 28 13.297 -6.750 10.723 223 2HD LYS 28 2HD LYS 28 12.392 -5.283 10.348 224 1HE LYS 28 1HE LYS 28 14.647 -4.544 10.610 225 2HE LYS 28 2HE LYS 28 13.876 -4.150 12.161 226 1HZ LYS 28 1HZ LYS 28 14.673 -6.161 13.110 227 2HZ LYS 28 2HZ LYS 28 16.005 -5.415 12.365 228 3HZ LYS 28 3HZ LYS 28 15.237 -6.732 11.616 229 H GLN 29 H GLN 29 8.908 -2.738 13.563 230 HA GLN 29 HA GLN 29 9.928 -1.834 16.205 231 1HB GLN 29 1HB GLN 29 9.147 -0.394 13.681 232 2HB GLN 29 2HB GLN 29 9.382 0.459 15.208 233 1HG GLN 29 1HG GLN 29 11.651 0.197 15.155 234 2HG GLN 29 2HG GLN 29 11.547 -1.422 14.462 235 1HE2 GLN 29 1HE2 GLN 29 12.937 1.368 13.642 236 2HE2 GLN 29 2HE2 GLN 29 12.615 1.421 11.976 237 H ASN 30 H ASN 30 7.134 -0.554 14.420 238 HA ASN 30 HA ASN 30 5.111 -1.880 16.000 239 1HB ASN 30 1HB ASN 30 6.571 -0.156 17.520 240 2HB ASN 30 2HB ASN 30 5.342 0.949 16.906 241 1HD2 ASN 30 1HD2 ASN 30 5.551 -2.357 18.411 242 2HD2 ASN 30 2HD2 ASN 30 4.113 -2.184 19.295 243 H LYS 31 H LYS 31 5.411 -1.140 13.232 244 HA LYS 31 HA LYS 31 3.492 1.147 12.953 245 1HB LYS 31 1HB LYS 31 5.667 -0.053 11.325 246 2HB LYS 31 2HB LYS 31 4.326 0.684 10.449 247 1HG LYS 31 1HG LYS 31 5.565 2.588 10.750 248 2HG LYS 31 2HG LYS 31 4.743 2.597 12.310 249 1HD LYS 31 1HD LYS 31 6.618 1.915 13.460 250 2HD LYS 31 2HD LYS 31 7.246 0.991 12.096 251 1HE LYS 31 1HE LYS 31 7.866 3.086 10.943 252 2HE LYS 31 2HE LYS 31 7.229 4.024 12.310 253 1HZ LYS 31 1HZ LYS 31 9.610 3.634 12.559 254 2HZ LYS 31 2HZ LYS 31 9.360 1.955 12.472 255 3HZ LYS 31 3HZ LYS 31 8.740 2.844 13.781 256 H LEU 32 H LEU 32 3.060 -2.151 13.211 257 HA LEU 32 HA LEU 32 1.560 -3.018 10.971 258 1HB LEU 32 1HB LEU 32 1.488 -3.483 13.942 259 2HB LEU 32 2HB LEU 32 0.155 -4.121 12.984 260 HG LEU 32 HG LEU 32 2.079 -5.731 13.328 261 1HD1 LEU 32 1HD1 LEU 32 1.767 -6.668 11.217 262 2HD1 LEU 32 2HD1 LEU 32 1.803 -5.100 10.407 263 3HD1 LEU 32 3HD1 LEU 32 0.386 -5.583 11.337 264 1HD2 LEU 32 1HD2 LEU 32 3.498 -3.806 11.463 265 2HD2 LEU 32 2HD2 LEU 32 4.099 -5.385 11.955 266 3HD2 LEU 32 3HD2 LEU 32 3.922 -4.110 13.147 267 H GLU 33 H GLU 33 0.491 -0.939 13.699 268 HA GLU 33 HA GLU 33 -2.228 -0.642 12.601 269 1HB GLU 33 1HB GLU 33 -0.619 0.784 14.751 270 2HB GLU 33 2HB GLU 33 -2.276 1.238 14.354 271 1HG GLU 33 1HG GLU 33 -2.760 -0.298 15.989 272 2HG GLU 33 2HG GLU 33 -2.615 -1.422 14.637 273 H GLN 34 H GLN 34 0.814 1.267 12.621 274 HA GLN 34 HA GLN 34 -0.124 3.592 11.244 275 1HB GLN 34 1HB GLN 34 2.566 2.195 11.131 276 2HB GLN 34 2HB GLN 34 2.269 3.851 10.602 277 1HG GLN 34 1HG GLN 34 1.271 3.324 13.315 278 2HG GLN 34 2HG GLN 34 3.010 3.089 13.167 279 1HE2 GLN 34 1HE2 GLN 34 0.576 5.519 11.951 280 2HE2 GLN 34 2HE2 GLN 34 1.556 6.858 12.303 281 H VAL 35 H VAL 35 0.664 0.344 9.979 282 HA VAL 35 HA VAL 35 0.236 1.419 7.213 283 HB VAL 35 HB VAL 35 1.407 -1.247 8.069 284 1HG1 VAL 35 1HG1 VAL 35 1.737 0.360 5.521 285 2HG1 VAL 35 2HG1 VAL 35 0.601 -0.977 5.709 286 3HG1 VAL 35 3HG1 VAL 35 2.336 -1.269 5.828 287 1HG2 VAL 35 1HG2 VAL 35 3.612 0.024 7.420 288 2HG2 VAL 35 2HG2 VAL 35 2.941 0.259 9.033 289 3HG2 VAL 35 3HG2 VAL 35 2.678 1.477 7.784 290 H GLU 36 H GLU 36 -0.856 -1.248 9.398 291 HA GLU 36 HA GLU 36 -2.596 -2.506 7.482 292 1HB GLU 36 1HB GLU 36 -1.779 -3.349 9.769 293 2HB GLU 36 2HB GLU 36 -3.082 -2.388 10.466 294 1HG GLU 36 1HG GLU 36 -4.675 -3.597 8.915 295 2HG GLU 36 2HG GLU 36 -3.341 -4.669 8.490 296 H LYS 37 H LYS 37 -3.104 0.425 9.443 297 HA LYS 37 HA LYS 37 -6.020 0.352 8.823 298 1HB LYS 37 1HB LYS 37 -4.226 1.693 10.764 299 2HB LYS 37 2HB LYS 37 -5.561 2.689 10.186 300 1HG LYS 37 1HG LYS 37 -6.683 1.631 11.881 301 2HG LYS 37 2HG LYS 37 -6.899 0.391 10.646 302 1HD LYS 37 1HD LYS 37 -5.084 -0.908 11.488 303 2HD LYS 37 2HD LYS 37 -4.518 0.415 12.509 304 1HE LYS 37 1HE LYS 37 -7.310 -0.619 12.921 305 2HE LYS 37 2HE LYS 37 -5.943 -1.536 13.585 306 1HZ LYS 37 1HZ LYS 37 -5.165 0.361 14.735 307 2HZ LYS 37 2HZ LYS 37 -6.829 0.274 15.064 308 3HZ LYS 37 3HZ LYS 37 -6.243 1.395 13.931 309 H GLU 38 H GLU 38 -3.116 2.339 8.066 310 HA GLU 38 HA GLU 38 -4.632 4.315 6.542 311 1HB GLU 38 1HB GLU 38 -1.747 3.526 6.855 312 2HB GLU 38 2HB GLU 38 -2.209 4.626 5.561 313 1HG GLU 38 1HG GLU 38 -1.634 5.968 7.490 314 2HG GLU 38 2HG GLU 38 -3.382 6.046 7.275 315 H LEU 39 H LEU 39 -2.925 1.272 5.682 316 HA LEU 39 HA LEU 39 -3.125 1.469 2.836 317 1HB LEU 39 1HB LEU 39 -2.035 -0.319 4.454 318 2HB LEU 39 2HB LEU 39 -3.587 -1.138 4.272 319 HG LEU 39 HG LEU 39 -3.276 -0.888 1.753 320 1HD1 LEU 39 1HD1 LEU 39 -1.596 0.824 1.663 321 2HD1 LEU 39 2HD1 LEU 39 -0.830 -0.659 1.093 322 3HD1 LEU 39 3HD1 LEU 39 -0.526 -0.083 2.733 323 1HD2 LEU 39 1HD2 LEU 39 -1.885 -2.864 1.611 324 2HD2 LEU 39 2HD2 LEU 39 -2.845 -2.990 3.085 325 3HD2 LEU 39 3HD2 LEU 39 -1.149 -2.515 3.177 326 H LEU 40 H LEU 40 -5.566 0.422 5.263 327 HA LEU 40 HA LEU 40 -7.533 -0.598 3.444 328 1HB LEU 40 1HB LEU 40 -7.401 -0.467 6.084 329 2HB LEU 40 2HB LEU 40 -8.305 1.031 5.855 330 HG LEU 40 HG LEU 40 -9.200 -1.490 4.479 331 1HD1 LEU 40 1HD1 LEU 40 -9.981 -0.648 7.286 332 2HD1 LEU 40 2HD1 LEU 40 -8.904 -1.994 6.913 333 3HD1 LEU 40 3HD1 LEU 40 -10.591 -2.046 6.401 334 1HD2 LEU 40 1HD2 LEU 40 -11.433 -0.213 5.091 335 2HD2 LEU 40 2HD2 LEU 40 -10.455 0.324 3.726 336 3HD2 LEU 40 3HD2 LEU 40 -10.352 1.168 5.271 337 H ARG 41 H ARG 41 -6.835 2.782 4.439 338 HA ARG 41 HA ARG 41 -9.119 4.045 3.274 339 1HB ARG 41 1HB ARG 41 -6.248 4.934 3.674 340 2HB ARG 41 2HB ARG 41 -7.497 6.027 3.076 341 1HG ARG 41 1HG ARG 41 -8.054 4.440 5.555 342 2HG ARG 41 2HG ARG 41 -6.998 5.849 5.674 343 1HD ARG 41 1HD ARG 41 -8.863 7.109 4.377 344 2HD ARG 41 2HD ARG 41 -9.900 5.746 4.840 345 HE ARG 41 HE ARG 41 -9.527 6.303 7.175 346 1HH1 ARG 41 1HH1 ARG 41 -10.049 8.997 5.715 347 2HH1 ARG 41 2HH1 ARG 41 -8.870 9.997 6.495 348 1HH2 ARG 41 1HH2 ARG 41 -7.114 7.330 7.847 349 2HH2 ARG 41 2HH2 ARG 41 -7.208 9.054 7.703 350 H VAL 42 H VAL 42 -6.025 3.035 1.749 351 HA VAL 42 HA VAL 42 -6.438 4.291 -0.801 352 HB VAL 42 HB VAL 42 -5.051 1.673 -0.094 353 1HG1 VAL 42 1HG1 VAL 42 -4.524 3.472 -2.474 354 2HG1 VAL 42 2HG1 VAL 42 -5.588 2.069 -2.560 355 3HG1 VAL 42 3HG1 VAL 42 -3.880 1.856 -2.178 356 1HG2 VAL 42 1HG2 VAL 42 -4.450 4.185 0.822 357 2HG2 VAL 42 2HG2 VAL 42 -3.495 4.131 -0.659 358 3HG2 VAL 42 3HG2 VAL 42 -3.256 2.909 0.590 359 H GLY 43 H GLY 43 -7.598 1.129 0.458 360 1HA GLY 43 1HA GLY 43 -8.716 0.195 -2.007 361 2HA GLY 43 2HA GLY 43 -9.216 -0.335 -0.400 362 H GLN 44 H GLN 44 -10.224 1.972 0.750 363 HA GLN 44 HA GLN 44 -12.848 2.205 -0.377 364 1HB GLN 44 1HB GLN 44 -11.203 3.803 1.578 365 2HB GLN 44 2HB GLN 44 -12.779 4.413 1.072 366 1HG GLN 44 1HG GLN 44 -13.915 2.517 1.930 367 2HG GLN 44 2HG GLN 44 -12.423 1.585 2.065 368 1HE2 GLN 44 1HE2 GLN 44 -14.521 3.807 3.761 369 2HE2 GLN 44 2HE2 GLN 44 -13.537 3.996 5.130 370 H ILE 45 H ILE 45 -9.924 4.224 -0.883 371 HA ILE 45 HA ILE 45 -11.175 6.348 -2.363 372 HB ILE 45 HB ILE 45 -8.387 5.118 -2.504 373 1HG1 ILE 45 1HG1 ILE 45 -9.091 7.753 -1.245 374 2HG1 ILE 45 2HG1 ILE 45 -9.427 6.264 -0.364 375 1HG2 ILE 45 1HG2 ILE 45 -7.630 7.048 -3.683 376 2HG2 ILE 45 2HG2 ILE 45 -9.154 7.897 -3.427 377 3HG2 ILE 45 3HG2 ILE 45 -9.081 6.530 -4.539 378 1HD1 ILE 45 1HD1 ILE 45 -7.002 7.585 -0.380 379 2HD1 ILE 45 2HD1 ILE 45 -6.748 6.313 -1.574 380 3HD1 ILE 45 3HD1 ILE 45 -7.234 5.897 0.070 381 H LEU 46 H LEU 46 -9.779 3.227 -3.512 382 HA LEU 46 HA LEU 46 -10.603 3.793 -6.281 383 1HB LEU 46 1HB LEU 46 -8.629 2.401 -5.784 384 2HB LEU 46 2HB LEU 46 -9.646 1.243 -4.927 385 HG LEU 46 HG LEU 46 -10.885 0.770 -7.003 386 1HD1 LEU 46 1HD1 LEU 46 -10.065 1.711 -9.153 387 2HD1 LEU 46 2HD1 LEU 46 -8.937 2.732 -8.259 388 3HD1 LEU 46 3HD1 LEU 46 -10.676 2.970 -8.077 389 1HD2 LEU 46 1HD2 LEU 46 -9.058 -0.699 -6.686 390 2HD2 LEU 46 2HD2 LEU 46 -7.875 0.555 -7.058 391 3HD2 LEU 46 3HD2 LEU 46 -8.867 -0.133 -8.344 392 H LYS 47 H LYS 47 -11.994 2.077 -3.477 393 HA LYS 47 HA LYS 47 -14.102 0.768 -5.024 394 1HB LYS 47 1HB LYS 47 -13.220 0.050 -2.753 395 2HB LYS 47 2HB LYS 47 -14.039 1.454 -2.064 396 1HG LYS 47 1HG LYS 47 -16.088 0.421 -3.470 397 2HG LYS 47 2HG LYS 47 -15.191 -1.064 -3.156 398 1HD LYS 47 1HD LYS 47 -15.801 0.909 -0.953 399 2HD LYS 47 2HD LYS 47 -16.938 -0.364 -1.396 400 1HE LYS 47 1HE LYS 47 -15.744 -1.582 0.149 401 2HE LYS 47 2HE LYS 47 -14.617 -1.803 -1.204 402 1HZ LYS 47 1HZ LYS 47 -14.532 0.537 0.619 403 2HZ LYS 47 2HZ LYS 47 -13.373 0.082 -0.536 404 3HZ LYS 47 3HZ LYS 47 -13.596 -0.856 0.863 405 H GLU 48 H GLU 48 -13.683 3.949 -3.450 406 HA GLU 48 HA GLU 48 -16.361 4.785 -3.204 407 1HB GLU 48 1HB GLU 48 -13.735 6.088 -3.752 408 2HB GLU 48 2HB GLU 48 -15.174 7.071 -4.022 409 1HG GLU 48 1HG GLU 48 -15.842 6.018 -1.641 410 2HG GLU 48 2HG GLU 48 -14.086 5.966 -1.479 411 HA PRO 49 HA PRO 49 -17.728 4.667 -7.442 412 1HB PRO 49 1HB PRO 49 -20.014 6.155 -7.210 413 2HB PRO 49 2HB PRO 49 -19.889 4.475 -6.649 414 1HG PRO 49 1HG PRO 49 -19.736 7.005 -5.092 415 2HG PRO 49 2HG PRO 49 -20.509 5.469 -4.675 416 1HD PRO 49 1HD PRO 49 -18.096 6.250 -3.683 417 2HD PRO 49 2HD PRO 49 -18.561 4.547 -3.902 418 H LYS 50 H LYS 50 -17.546 7.816 -5.723 419 HA LYS 50 HA LYS 50 -17.515 9.358 -8.237 420 1HB LYS 50 1HB LYS 50 -18.320 10.125 -5.909 421 2HB LYS 50 2HB LYS 50 -16.612 10.272 -5.490 422 1HG LYS 50 1HG LYS 50 -17.478 11.534 -8.044 423 2HG LYS 50 2HG LYS 50 -18.009 12.311 -6.553 424 1HD LYS 50 1HD LYS 50 -15.871 12.883 -5.922 425 2HD LYS 50 2HD LYS 50 -15.152 11.477 -6.708 426 1HE LYS 50 1HE LYS 50 -14.483 13.372 -8.026 427 2HE LYS 50 2HE LYS 50 -15.796 12.603 -8.939 428 1HZ LYS 50 1HZ LYS 50 -17.372 14.095 -7.931 429 2HZ LYS 50 2HZ LYS 50 -16.140 15.012 -8.657 430 3HZ LYS 50 3HZ LYS 50 -16.162 14.800 -6.972 431 H MET 51 H MET 51 -15.116 8.036 -5.946 432 HA MET 51 HA MET 51 -12.867 9.319 -7.370 433 1HB MET 51 1HB MET 51 -12.918 9.024 -4.906 434 2HB MET 51 2HB MET 51 -12.953 7.276 -5.132 435 1HG MET 51 1HG MET 51 -10.674 7.928 -4.710 436 2HG MET 51 2HG MET 51 -10.802 7.466 -6.404 437 1HE MET 51 1HE MET 51 -8.166 10.201 -6.541 438 2HE MET 51 2HE MET 51 -8.808 8.952 -7.604 439 3HE MET 51 3HE MET 51 -8.476 8.576 -5.915 440 H ALA 52 H ALA 52 -14.501 6.145 -7.332 441 HA ALA 52 HA ALA 52 -12.455 4.507 -8.446 442 1HB ALA 52 1HB ALA 52 -15.447 4.563 -8.478 443 2HB ALA 52 2HB ALA 52 -14.359 3.299 -7.908 444 3HB ALA 52 3HB ALA 52 -14.654 3.494 -9.635 445 H ALA 53 H ALA 53 -14.716 6.755 -10.099 446 HA ALA 53 HA ALA 53 -13.897 6.063 -12.794 447 1HB ALA 53 1HB ALA 53 -15.132 8.545 -11.557 448 2HB ALA 53 2HB ALA 53 -15.961 7.258 -12.434 449 3HB ALA 53 3HB ALA 53 -14.890 8.364 -13.295 450 H SER 54 H SER 54 -12.688 8.495 -10.440 451 HA SER 54 HA SER 54 -10.796 9.689 -12.322 452 1HB SER 54 1HB SER 54 -10.821 9.694 -9.283 453 2HB SER 54 2HB SER 54 -9.936 10.817 -10.311 454 HG SER 54 HG SER 54 -11.865 11.635 -11.045 455 H LEU 55 H LEU 55 -10.549 7.122 -9.820 456 HA LEU 55 HA LEU 55 -7.653 6.824 -10.150 457 1HB LEU 55 1HB LEU 55 -9.526 6.018 -8.295 458 2HB LEU 55 2HB LEU 55 -9.185 4.507 -9.138 459 HG LEU 55 HG LEU 55 -6.732 4.958 -8.801 460 1HD1 LEU 55 1HD1 LEU 55 -5.966 6.811 -7.687 461 2HD1 LEU 55 2HD1 LEU 55 -7.381 6.894 -6.639 462 3HD1 LEU 55 3HD1 LEU 55 -7.470 7.509 -8.290 463 1HD2 LEU 55 1HD2 LEU 55 -8.717 4.439 -6.645 464 2HD2 LEU 55 2HD2 LEU 55 -7.067 4.778 -6.122 465 3HD2 LEU 55 3HD2 LEU 55 -7.386 3.432 -7.215 466 H LEU 56 H LEU 56 -10.490 5.383 -11.759 467 HA LEU 56 HA LEU 56 -8.731 3.414 -13.149 468 1HB LEU 56 1HB LEU 56 -10.882 2.696 -12.156 469 2HB LEU 56 2HB LEU 56 -11.737 3.843 -13.186 470 HG LEU 56 HG LEU 56 -9.891 1.939 -14.541 471 1HD1 LEU 56 1HD1 LEU 56 -11.573 0.151 -14.529 472 2HD1 LEU 56 2HD1 LEU 56 -12.613 1.117 -13.482 473 3HD1 LEU 56 3HD1 LEU 56 -11.067 0.518 -12.880 474 1HD2 LEU 56 1HD2 LEU 56 -12.681 2.346 -15.440 475 2HD2 LEU 56 2HD2 LEU 56 -11.178 2.459 -16.353 476 3HD2 LEU 56 3HD2 LEU 56 -11.713 3.818 -15.366 477 H ASN 57 H ASN 57 -10.234 6.546 -13.783 478 HA ASN 57 HA ASN 57 -10.752 6.473 -16.540 479 1HB ASN 57 1HB ASN 57 -9.884 8.517 -14.576 480 2HB ASN 57 2HB ASN 57 -9.603 8.932 -16.266 481 1HD2 ASN 57 1HD2 ASN 57 -11.371 10.605 -16.076 482 2HD2 ASN 57 2HD2 ASN 57 -12.993 10.104 -16.111 483 HA PRO 58 HA PRO 58 -6.787 5.815 -18.388 484 1HB PRO 58 1HB PRO 58 -7.343 6.597 -20.941 485 2HB PRO 58 2HB PRO 58 -7.925 5.071 -20.250 486 1HG PRO 58 1HG PRO 58 -9.383 7.588 -20.761 487 2HG PRO 58 2HG PRO 58 -9.968 5.919 -20.760 488 1HD PRO 58 1HD PRO 58 -10.319 7.789 -18.713 489 2HD PRO 58 2HD PRO 58 -10.574 6.037 -18.588 490 H TYR 59 H TYR 59 -8.020 8.935 -17.784 491 HA TYR 59 HA TYR 59 -5.970 10.404 -19.327 492 1HB TYR 59 1HB TYR 59 -8.112 11.269 -17.348 493 2HB TYR 59 2HB TYR 59 -7.134 12.370 -18.325 494 HD1 TYR 59 HD1 TYR 59 -9.853 9.884 -18.360 495 HD2 TYR 59 HD2 TYR 59 -7.435 12.509 -20.756 496 HE1 TYR 59 HE1 TYR 59 -11.414 9.589 -20.259 497 HE2 TYR 59 HE2 TYR 59 -9.004 12.217 -22.654 498 HH TYR 59 HH TYR 59 -10.785 10.106 -23.257 499 H VAL 60 H VAL 60 -6.560 9.335 -15.961 500 HA VAL 60 HA VAL 60 -4.739 11.019 -14.572 501 HB VAL 60 HB VAL 60 -5.331 8.062 -14.172 502 1HG1 VAL 60 1HG1 VAL 60 -4.805 8.896 -11.702 503 2HG1 VAL 60 2HG1 VAL 60 -3.814 10.078 -12.555 504 3HG1 VAL 60 3HG1 VAL 60 -3.507 8.354 -12.765 505 1HG2 VAL 60 1HG2 VAL 60 -6.742 10.601 -13.553 506 2HG2 VAL 60 2HG2 VAL 60 -6.707 9.412 -12.252 507 3HG2 VAL 60 3HG2 VAL 60 -7.398 8.986 -13.818 508 H LYS 61 H LYS 61 -3.973 8.315 -16.778 509 HA LYS 61 HA LYS 61 -1.906 7.594 -17.633 510 1HB LYS 61 1HB LYS 61 -1.845 10.337 -17.453 511 2HB LYS 61 2HB LYS 61 -0.417 9.892 -16.519 512 1HG LYS 61 1HG LYS 61 0.677 9.035 -18.345 513 2HG LYS 61 2HG LYS 61 -0.810 8.461 -19.098 514 1HD LYS 61 1HD LYS 61 -1.236 10.483 -20.121 515 2HD LYS 61 2HD LYS 61 -0.441 11.413 -18.849 516 1HE LYS 61 1HE LYS 61 1.720 10.123 -19.771 517 2HE LYS 61 2HE LYS 61 0.750 10.107 -21.258 518 1HZ LYS 61 1HZ LYS 61 1.257 12.505 -19.577 519 2HZ LYS 61 2HZ LYS 61 0.378 12.467 -21.030 520 3HZ LYS 61 3HZ LYS 61 2.050 12.163 -21.037 521 H ARG 62 H ARG 62 0.693 7.667 -16.669 522 HA ARG 62 HA ARG 62 0.398 6.313 -14.009 523 1HB ARG 62 1HB ARG 62 1.248 5.025 -15.976 524 2HB ARG 62 2HB ARG 62 2.593 6.158 -16.104 525 1HG ARG 62 1HG ARG 62 3.628 4.597 -14.777 526 2HG ARG 62 2HG ARG 62 2.824 5.509 -13.498 527 1HD ARG 62 1HD ARG 62 1.990 3.443 -12.927 528 2HD ARG 62 2HD ARG 62 0.829 3.777 -14.228 529 HE ARG 62 HE ARG 62 3.364 2.227 -14.609 530 1HH1 ARG 62 1HH2 ARG 62 2.131 3.485 -17.060 531 2HH1 ARG 62 2HH2 ARG 62 1.136 2.197 -17.654 532 1HH2 ARG 62 1HH1 ARG 62 1.230 0.404 -14.687 533 2HH2 ARG 62 2HH1 ARG 62 0.626 0.452 -16.310 534 H SER 63 H SER 63 2.876 8.287 -15.775 535 HA SER 63 HA SER 63 4.370 9.035 -13.447 536 1HB SER 63 1HB SER 63 5.354 10.715 -14.880 537 2HB SER 63 2HB SER 63 4.978 9.336 -15.910 538 HG SER 63 HG SER 63 4.291 11.523 -16.627 539 H VAL 64 H VAL 64 1.588 10.676 -15.030 540 HA VAL 64 HA VAL 64 1.522 12.938 -13.221 541 HB VAL 64 HB VAL 64 -0.707 11.594 -14.806 542 1HG1 VAL 64 1HG1 VAL 64 -1.398 13.216 -12.970 543 2HG1 VAL 64 2HG1 VAL 64 -1.914 13.661 -14.596 544 3HG1 VAL 64 3HG1 VAL 64 -0.529 14.467 -13.858 545 1HG2 VAL 64 1HG2 VAL 64 1.412 13.627 -15.474 546 2HG2 VAL 64 2HG2 VAL 64 -0.132 13.648 -16.326 547 3HG2 VAL 64 3HG2 VAL 64 0.897 12.218 -16.402 548 H LYS 65 H LYS 65 -0.084 9.723 -13.152 549 HA LYS 65 HA LYS 65 -1.716 10.149 -10.836 550 1HB LYS 65 1HB LYS 65 -1.525 8.148 -12.531 551 2HB LYS 65 2HB LYS 65 -0.334 7.526 -11.388 552 1HG LYS 65 1HG LYS 65 -1.929 7.446 -9.617 553 2HG LYS 65 2HG LYS 65 -3.089 8.418 -10.521 554 1HD LYS 65 1HD LYS 65 -2.948 6.475 -12.275 555 2HD LYS 65 2HD LYS 65 -2.325 5.538 -10.917 556 1HE LYS 65 1HE LYS 65 -4.333 5.992 -9.611 557 2HE LYS 65 2HE LYS 65 -4.946 7.079 -10.873 558 1HZ LYS 65 1HZ LYS 65 -5.057 5.309 -12.414 559 2HZ LYS 65 2HZ LYS 65 -5.784 4.728 -10.993 560 3HZ LYS 65 3HZ LYS 65 -4.203 4.255 -11.395 561 H VAL 66 H VAL 66 1.743 9.209 -11.099 562 HA VAL 66 HA VAL 66 2.173 8.545 -8.342 563 HB VAL 66 HB VAL 66 4.051 9.865 -10.344 564 1HG1 VAL 66 1HG1 VAL 66 5.672 8.387 -8.805 565 2HG1 VAL 66 2HG1 VAL 66 4.423 8.728 -7.608 566 3HG1 VAL 66 3HG1 VAL 66 5.275 10.055 -8.396 567 1HG2 VAL 66 1HG2 VAL 66 3.562 7.872 -11.394 568 2HG2 VAL 66 2HG2 VAL 66 3.095 7.074 -9.892 569 3HG2 VAL 66 3HG2 VAL 66 4.801 7.285 -10.286 570 H LYS 67 H LYS 67 2.288 11.732 -10.007 571 HA LYS 67 HA LYS 67 3.147 13.233 -7.682 572 1HB LYS 67 1HB LYS 67 3.142 13.985 -10.115 573 2HB LYS 67 2HB LYS 67 1.397 14.202 -9.970 574 1HG LYS 67 1HG LYS 67 1.725 15.806 -8.142 575 2HG LYS 67 2HG LYS 67 3.470 15.567 -8.228 576 1HD LYS 67 1HD LYS 67 3.300 16.284 -10.682 577 2HD LYS 67 2HD LYS 67 1.663 16.824 -10.301 578 1HE LYS 67 1HE LYS 67 2.882 18.782 -9.894 579 2HE LYS 67 2HE LYS 67 2.904 18.044 -8.279 580 1HZ LYS 67 1HZ LYS 67 4.974 17.696 -10.385 581 2HZ LYS 67 2HZ LYS 67 4.978 16.929 -8.869 582 3HZ LYS 67 3HZ LYS 67 5.145 18.616 -8.971 583 H SER 68 H SER 68 -0.109 12.378 -8.945 584 HA SER 68 HA SER 68 -1.643 13.916 -7.066 585 1HB SER 68 1HB SER 68 -2.253 11.243 -8.381 586 2HB SER 68 2HB SER 68 -3.448 12.285 -7.615 587 HG SER 68 HG SER 68 -3.079 13.823 -9.162 588 H LEU 69 H LEU 69 -0.221 10.623 -6.798 589 HA LEU 69 HA LEU 69 -1.452 9.934 -4.283 590 1HB LEU 69 1HB LEU 69 1.219 9.141 -5.503 591 2HB LEU 69 2HB LEU 69 0.484 8.337 -4.116 592 HG LEU 69 HG LEU 69 -1.147 8.674 -6.605 593 1HD1 LEU 69 1HD1 LEU 69 1.355 7.559 -6.820 594 2HD1 LEU 69 2HD1 LEU 69 -0.019 7.135 -7.839 595 3HD1 LEU 69 3HD1 LEU 69 0.371 6.148 -6.431 596 1HD2 LEU 69 1HD2 LEU 69 -2.136 6.578 -5.802 597 2HD2 LEU 69 2HD2 LEU 69 -2.106 7.761 -4.495 598 3HD2 LEU 69 3HD2 LEU 69 -0.912 6.463 -4.538 599 H SER 70 H SER 70 1.759 11.441 -4.979 600 HA SER 70 HA SER 70 2.476 11.813 -2.202 601 1HB SER 70 1HB SER 70 4.161 11.968 -3.938 602 2HB SER 70 2HB SER 70 3.273 13.248 -4.759 603 HG SER 70 HG SER 70 4.822 14.257 -3.570 604 H ASP 71 H ASP 71 0.811 13.964 -4.558 605 HA ASP 71 HA ASP 71 0.513 16.160 -2.663 606 1HB ASP 71 1HB ASP 71 0.381 16.196 -5.239 607 2HB ASP 71 2HB ASP 71 -1.264 15.592 -5.050 608 H MET 72 H MET 72 -1.235 13.135 -3.070 609 HA MET 72 HA MET 72 -3.633 14.169 -1.642 610 1HB MET 72 1HB MET 72 -3.712 12.465 -3.537 611 2HB MET 72 2HB MET 72 -2.905 11.328 -2.458 612 1HG MET 72 1HG MET 72 -4.765 11.629 -0.818 613 2HG MET 72 2HG MET 72 -5.591 12.656 -1.991 614 1HE MET 72 1HE MET 72 -3.879 8.685 -2.847 615 2HE MET 72 2HE MET 72 -4.904 8.425 -1.438 616 3HE MET 72 3HE MET 72 -3.674 9.684 -1.402 617 H THR 73 H THR 73 -0.915 11.873 -1.187 618 HA THR 73 HA THR 73 -1.493 11.108 1.517 619 HB THR 73 HB THR 73 0.936 11.247 -0.274 620 HG1 THR 73 HG1 THR 73 -0.413 9.521 -0.535 621 1HG2 THR 73 1HG2 THR 73 2.071 9.893 1.660 622 2HG2 THR 73 2HG2 THR 73 0.958 10.798 2.686 623 3HG2 THR 73 3HG2 THR 73 2.118 11.655 1.673 624 H ALA 74 H ALA 74 0.246 13.967 0.167 625 HA ALA 74 HA ALA 74 1.264 15.009 2.644 626 1HB ALA 74 1HB ALA 74 1.156 17.218 1.384 627 2HB ALA 74 2HB ALA 74 0.323 16.358 0.090 628 3HB ALA 74 3HB ALA 74 1.977 15.920 0.516 629 H LYS 75 H LYS 75 -1.955 15.394 1.093 630 HA LYS 75 HA LYS 75 -2.880 17.123 3.328 631 1HB LYS 75 1HB LYS 75 -3.454 17.330 0.802 632 2HB LYS 75 2HB LYS 75 -4.557 15.985 1.085 633 1HG LYS 75 1HG LYS 75 -6.080 17.492 1.791 634 2HG LYS 75 2HG LYS 75 -5.059 17.764 3.201 635 1HD LYS 75 1HD LYS 75 -4.722 19.220 0.563 636 2HD LYS 75 2HD LYS 75 -5.613 19.867 1.941 637 1HE LYS 75 1HE LYS 75 -3.693 20.211 3.197 638 2HE LYS 75 2HE LYS 75 -2.815 18.888 2.404 639 1HZ LYS 75 1HZ LYS 75 -3.533 21.519 1.230 640 2HZ LYS 75 2HZ LYS 75 -2.923 20.218 0.323 641 3HZ LYS 75 3HZ LYS 75 -1.973 20.930 1.539 642 H GLU 76 H GLU 76 -3.266 13.750 2.189 643 HA GLU 76 HA GLU 76 -5.465 13.092 3.967 644 1HB GLU 76 1HB GLU 76 -4.720 11.840 1.894 645 2HB GLU 76 2HB GLU 76 -3.357 11.232 2.833 646 1HG GLU 76 1HG GLU 76 -5.982 10.926 4.156 647 2HG GLU 76 2HG GLU 76 -5.801 9.994 2.670 648 H LYS 77 H LYS 77 -2.079 13.621 4.674 649 HA LYS 77 HA LYS 77 -0.857 13.302 6.650 650 1HB LYS 77 1HB LYS 77 -3.300 14.190 7.350 651 2HB LYS 77 2HB LYS 77 -3.364 12.604 8.120 652 1HG LYS 77 1HG LYS 77 -0.943 14.349 8.488 653 2HG LYS 77 2HG LYS 77 -2.386 14.627 9.465 654 1HD LYS 77 1HD LYS 77 -2.247 12.002 9.821 655 2HD LYS 77 2HD LYS 77 -0.546 12.265 9.434 656 1HE LYS 77 1HE LYS 77 -1.947 13.988 11.486 657 2HE LYS 77 2HE LYS 77 -1.212 12.434 11.931 658 1HZ LYS 77 1HZ LYS 77 0.192 14.559 10.402 659 2HZ LYS 77 2HZ LYS 77 0.865 13.126 11.018 660 3HZ LYS 77 3HZ LYS 77 0.346 14.348 12.079 661 H PHE 78 H PHE 78 -0.925 11.076 4.959 662 HA PHE 78 HA PHE 78 -1.895 8.632 6.058 663 1HB PHE 78 1HB PHE 78 0.059 9.468 4.031 664 2HB PHE 78 2HB PHE 78 0.519 7.962 4.821 665 HD1 PHE 78 HD1 PHE 78 -1.760 6.486 5.393 666 HD2 PHE 78 HD2 PHE 78 -1.161 9.126 2.055 667 HE1 PHE 78 HE1 PHE 78 -3.523 5.283 4.122 668 HE2 PHE 78 HE2 PHE 78 -2.915 7.916 0.782 669 HZ PHE 78 HZ PHE 78 -4.099 5.998 1.821 670 H SER 79 H SER 79 0.128 6.864 6.617 671 HA SER 79 HA SER 79 1.081 7.863 9.237 672 1HB SER 79 1HB SER 79 0.156 5.356 8.109 673 2HB SER 79 2HB SER 79 1.746 5.131 8.824 674 HG SER 79 HG SER 79 -0.617 6.137 10.018 675 HA PRO 80 HA PRO 80 5.277 7.973 8.027 676 1HB PRO 80 1HB PRO 80 6.662 6.326 9.697 677 2HB PRO 80 2HB PRO 80 5.997 7.891 10.195 678 1HG PRO 80 1HG PRO 80 4.926 5.154 10.651 679 2HG PRO 80 2HG PRO 80 4.968 6.547 11.745 680 1HD PRO 80 1HD PRO 80 2.750 5.799 10.384 681 2HD PRO 80 2HD PRO 80 3.082 7.483 10.841 682 H LEU 81 H LEU 81 3.723 4.826 7.899 683 HA LEU 81 HA LEU 81 5.875 3.913 6.033 684 1HB LEU 81 1HB LEU 81 4.298 2.645 8.213 685 2HB LEU 81 2HB LEU 81 4.538 1.663 6.759 686 HG LEU 81 HG LEU 81 6.778 3.055 8.265 687 1HD1 LEU 81 1HD1 LEU 81 7.062 0.234 8.346 688 2HD1 LEU 81 2HD1 LEU 81 5.396 0.579 8.807 689 3HD1 LEU 81 3HD1 LEU 81 6.726 1.319 9.694 690 1HD2 LEU 81 1HD2 LEU 81 7.987 1.166 6.790 691 2HD2 LEU 81 2HD2 LEU 81 7.661 2.776 6.149 692 3HD2 LEU 81 3HD2 LEU 81 6.582 1.436 5.761 693 H THR 82 H THR 82 3.233 5.546 5.528 694 HA THR 82 HA THR 82 2.053 3.568 3.628 695 HB THR 82 HB THR 82 0.473 5.924 4.587 696 HG1 THR 82 HG1 THR 82 1.046 3.629 6.202 697 1HG2 THR 82 1HG2 THR 82 0.084 3.337 3.323 698 2HG2 THR 82 2HG2 THR 82 -1.068 4.647 3.541 699 3HG2 THR 82 3HG2 THR 82 -0.868 3.435 4.802 700 H SER 83 H SER 83 4.122 6.167 3.481 701 HA SER 83 HA SER 83 2.820 7.211 0.996 702 1HB SER 83 1HB SER 83 3.328 8.828 2.875 703 2HB SER 83 2HB SER 83 5.033 8.418 2.712 704 HG SER 83 HG SER 83 5.059 9.325 0.715 705 H ASN 84 H ASN 84 4.148 4.702 1.075 706 HA ASN 84 HA ASN 84 6.359 5.181 -0.873 707 1HB ASN 84 1HB ASN 84 6.798 4.530 1.807 708 2HB ASN 84 2HB ASN 84 6.822 2.956 1.010 709 1HD2 ASN 84 1HD2 ASN 84 9.020 5.082 2.054 710 2HD2 ASN 84 2HD2 ASN 84 10.151 5.032 0.790 711 H LEU 85 H LEU 85 4.690 2.537 0.932 712 HA LEU 85 HA LEU 85 4.432 0.726 -1.283 713 1HB LEU 85 1HB LEU 85 4.037 0.052 1.053 714 2HB LEU 85 2HB LEU 85 2.704 1.197 1.190 715 HG LEU 85 HG LEU 85 1.487 -0.055 -0.592 716 1HD1 LEU 85 1HD1 LEU 85 2.992 -1.203 -1.909 717 2HD1 LEU 85 2HD1 LEU 85 2.557 -2.504 -0.800 718 3HD1 LEU 85 3HD1 LEU 85 4.046 -1.593 -0.549 719 1HD2 LEU 85 1HD2 LEU 85 2.375 -1.867 1.673 720 2HD2 LEU 85 2HD2 LEU 85 0.834 -1.913 0.818 721 3HD2 LEU 85 3HD2 LEU 85 1.218 -0.552 1.873 722 H ILE 86 H ILE 86 2.605 3.684 -0.352 723 HA ILE 86 HA ILE 86 0.264 3.236 -1.926 724 HB ILE 86 HB ILE 86 0.611 5.077 -0.255 725 1HG1 ILE 86 1HG1 ILE 86 -0.052 6.569 -2.730 726 2HG1 ILE 86 2HG1 ILE 86 -0.960 5.078 -2.481 727 1HG2 ILE 86 1HG2 ILE 86 1.885 7.029 -0.789 728 2HG2 ILE 86 2HG2 ILE 86 2.121 6.505 -2.455 729 3HG2 ILE 86 3HG2 ILE 86 2.936 5.658 -1.141 730 1HD1 ILE 86 1HD1 ILE 86 -0.647 6.873 -0.126 731 2HD1 ILE 86 2HD1 ILE 86 -2.020 5.874 -0.606 732 3HD1 ILE 86 3HD1 ILE 86 -1.729 7.417 -1.409 733 H ASN 87 H ASN 87 3.498 4.476 -2.869 734 HA ASN 87 HA ASN 87 2.740 5.194 -5.581 735 1HB ASN 87 1HB ASN 87 5.295 4.616 -4.100 736 2HB ASN 87 2HB ASN 87 5.343 4.724 -5.861 737 1HD2 ASN 87 1HD2 ASN 87 6.542 6.689 -3.938 738 2HD2 ASN 87 2HD2 ASN 87 5.767 8.166 -4.253 739 H LEU 88 H LEU 88 4.237 2.227 -4.181 740 HA LEU 88 HA LEU 88 4.495 0.674 -6.539 741 1HB LEU 88 1HB LEU 88 4.155 0.162 -3.634 742 2HB LEU 88 2HB LEU 88 3.698 -1.183 -4.677 743 HG LEU 88 HG LEU 88 5.928 -0.860 -5.863 744 1HD1 LEU 88 1HD1 LEU 88 6.473 0.806 -3.386 745 2HD1 LEU 88 2HD1 LEU 88 6.343 1.434 -5.029 746 3HD1 LEU 88 3HD1 LEU 88 7.664 0.346 -4.603 747 1HD2 LEU 88 1HD2 LEU 88 6.543 -1.478 -3.015 748 2HD2 LEU 88 2HD2 LEU 88 6.869 -2.425 -4.466 749 3HD2 LEU 88 3HD2 LEU 88 5.251 -2.418 -3.762 750 H LEU 89 H LEU 89 1.578 1.175 -4.494 751 HA LEU 89 HA LEU 89 -0.133 -0.670 -5.895 752 1HB LEU 89 1HB LEU 89 -0.503 1.763 -4.173 753 2HB LEU 89 2HB LEU 89 -1.905 1.124 -5.032 754 HG LEU 89 HG LEU 89 -0.091 -0.617 -3.350 755 1HD1 LEU 89 1HD1 LEU 89 -2.786 0.186 -2.362 756 2HD1 LEU 89 2HD1 LEU 89 -1.513 1.402 -2.257 757 3HD1 LEU 89 3HD1 LEU 89 -1.312 -0.157 -1.456 758 1HD2 LEU 89 1HD2 LEU 89 -1.891 -1.333 -5.235 759 2HD2 LEU 89 2HD2 LEU 89 -2.971 -1.190 -3.846 760 3HD2 LEU 89 3HD2 LEU 89 -1.597 -2.296 -3.786 761 H ALA 90 H ALA 90 0.641 2.787 -6.498 762 HA ALA 90 HA ALA 90 -0.912 2.606 -9.055 763 1HB ALA 90 1HB ALA 90 0.110 5.233 -8.411 764 2HB ALA 90 2HB ALA 90 -0.679 4.545 -6.991 765 3HB ALA 90 3HB ALA 90 -1.569 4.700 -8.505 766 H GLU 91 H GLU 91 1.882 1.437 -8.599 767 HA GLU 91 HA GLU 91 3.515 3.263 -10.323 768 1HB GLU 91 1HB GLU 91 4.480 2.433 -8.200 769 2HB GLU 91 2HB GLU 91 4.224 0.771 -8.729 770 1HG GLU 91 1HG GLU 91 6.529 1.320 -9.179 771 2HG GLU 91 2HG GLU 91 5.688 1.283 -10.729 772 H ASN 92 H ASN 92 2.502 -0.212 -10.141 773 HA ASN 92 HA ASN 92 3.125 -0.406 -13.072 774 1HB ASN 92 1HB ASN 92 3.354 -2.205 -10.705 775 2HB ASN 92 2HB ASN 92 2.967 -2.961 -12.250 776 1HD2 ASN 92 1HD2 ASN 92 5.429 -0.894 -10.624 777 2HD2 ASN 92 2HD2 ASN 92 6.665 -1.246 -11.734 778 H GLY 93 H GLY 93 0.481 0.562 -11.793 779 1HA GLY 93 1HA GLY 93 -1.746 0.334 -12.526 780 2HA GLY 93 2HA GLY 93 -1.263 -1.087 -13.455 781 H ARG 94 H ARG 94 -1.071 -0.325 -9.926 782 HA ARG 94 HA ARG 94 -2.343 -2.989 -9.454 783 1HB ARG 94 1HB ARG 94 -0.091 -1.594 -8.375 784 2HB ARG 94 2HB ARG 94 -1.272 -1.773 -7.079 785 1HG ARG 94 1HG ARG 94 -0.297 -3.827 -6.851 786 2HG ARG 94 2HG ARG 94 -1.396 -4.255 -8.162 787 1HD ARG 94 1HD ARG 94 0.725 -3.205 -9.563 788 2HD ARG 94 2HD ARG 94 1.544 -3.995 -8.200 789 HE ARG 94 HE ARG 94 -0.427 -5.394 -9.972 790 1HH1 ARG 94 1HH2 ARG 94 1.066 -5.955 -7.102 791 2HH1 ARG 94 2HH2 ARG 94 1.977 -7.339 -7.605 792 1HH2 ARG 94 1HH1 ARG 94 1.284 -6.903 -10.974 793 2HH2 ARG 94 2HH1 ARG 94 2.101 -7.876 -9.797 794 H LEU 95 H LEU 95 -3.931 -0.498 -10.108 795 HA LEU 95 HA LEU 95 -5.322 -0.088 -7.477 796 1HB LEU 95 1HB LEU 95 -5.186 1.479 -10.084 797 2HB LEU 95 2HB LEU 95 -6.346 1.864 -8.811 798 HG LEU 95 HG LEU 95 -3.360 1.688 -8.336 799 1HD1 LEU 95 1HD1 LEU 95 -3.416 3.562 -9.693 800 2HD1 LEU 95 2HD1 LEU 95 -3.815 4.305 -8.144 801 3HD1 LEU 95 3HD1 LEU 95 -5.096 3.927 -9.296 802 1HD2 LEU 95 1HD2 LEU 95 -4.285 1.551 -6.229 803 2HD2 LEU 95 2HD2 LEU 95 -5.780 2.348 -6.720 804 3HD2 LEU 95 3HD2 LEU 95 -4.329 3.304 -6.418 805 H THR 96 H THR 96 -6.332 -2.132 -7.630 806 HA THR 96 HA THR 96 -8.937 -2.155 -8.940 807 HB THR 96 HB THR 96 -8.014 -4.430 -10.134 808 HG1 THR 96 HG1 THR 96 -5.979 -4.063 -10.908 809 1HG2 THR 96 1HG2 THR 96 -8.764 -1.782 -10.935 810 2HG2 THR 96 2HG2 THR 96 -8.887 -3.282 -11.853 811 3HG2 THR 96 3HG2 THR 96 -7.416 -2.314 -11.940 812 H ASN 97 H ASN 97 -6.323 -4.349 -7.766 813 HA ASN 97 HA ASN 97 -8.318 -5.792 -6.081 814 1HB ASN 97 1HB ASN 97 -5.447 -6.286 -6.930 815 2HB ASN 97 2HB ASN 97 -6.266 -7.294 -5.734 816 1HD2 ASN 97 1HD2 ASN 97 -6.073 -6.538 -9.186 817 2HD2 ASN 97 2HD2 ASN 97 -7.176 -7.728 -9.686 818 H THR 98 H THR 98 -7.014 -2.910 -5.591 819 HA THR 98 HA THR 98 -5.165 -2.684 -3.606 820 HB THR 98 HB THR 98 -7.532 -1.212 -2.788 821 HG1 THR 98 HG1 THR 98 -8.472 -1.318 -4.692 822 1HG2 THR 98 1HG2 THR 98 -5.461 -0.171 -2.451 823 2HG2 THR 98 2HG2 THR 98 -6.079 0.654 -3.883 824 3HG2 THR 98 3HG2 THR 98 -4.870 -0.618 -4.052 825 HA PRO 99 HA PRO 99 -8.167 -3.851 -0.011 826 1HB PRO 99 1HB PRO 99 -10.301 -5.459 -0.687 827 2HB PRO 99 2HB PRO 99 -10.405 -3.691 -0.549 828 1HG PRO 99 1HG PRO 99 -10.037 -5.375 -2.992 829 2HG PRO 99 2HG PRO 99 -11.113 -3.988 -2.735 830 1HD PRO 99 1HD PRO 99 -8.819 -3.701 -4.046 831 2HD PRO 99 2HD PRO 99 -9.382 -2.441 -2.930 832 H ALA 100 H ALA 100 -7.865 -6.152 -2.760 833 HA ALA 100 HA ALA 100 -7.480 -8.545 -1.196 834 1HB ALA 100 1HB ALA 100 -5.962 -8.036 -3.747 835 2HB ALA 100 2HB ALA 100 -7.724 -8.105 -3.800 836 3HB ALA 100 3HB ALA 100 -6.805 -9.498 -3.230 837 H VAL 101 H VAL 101 -5.206 -5.951 -2.197 838 HA VAL 101 HA VAL 101 -2.791 -7.261 -1.273 839 HB VAL 101 HB VAL 101 -3.476 -4.300 -1.481 840 1HG1 VAL 101 1HG1 VAL 101 -1.448 -4.103 -0.470 841 2HG1 VAL 101 2HG1 VAL 101 -0.801 -4.558 -2.046 842 3HG1 VAL 101 3HG1 VAL 101 -1.016 -5.781 -0.794 843 1HG2 VAL 101 1HG2 VAL 101 -3.511 -6.130 -3.519 844 2HG2 VAL 101 2HG2 VAL 101 -1.828 -5.607 -3.563 845 3HG2 VAL 101 3HG2 VAL 101 -3.123 -4.423 -3.731 846 H ILE 102 H ILE 102 -5.125 -5.048 0.331 847 HA ILE 102 HA ILE 102 -3.621 -4.895 2.824 848 HB ILE 102 HB ILE 102 -6.570 -4.416 2.242 849 1HG1 ILE 102 1HG1 ILE 102 -4.645 -2.173 2.563 850 2HG1 ILE 102 2HG1 ILE 102 -4.484 -3.115 1.082 851 1HG2 ILE 102 1HG2 ILE 102 -6.028 -2.732 4.239 852 2HG2 ILE 102 2HG2 ILE 102 -4.810 -3.950 4.616 853 3HG2 ILE 102 3HG2 ILE 102 -6.515 -4.397 4.555 854 1HD1 ILE 102 1HD1 ILE 102 -6.182 -1.893 0.241 855 2HD1 ILE 102 2HD1 ILE 102 -6.536 -1.189 1.819 856 3HD1 ILE 102 3HD1 ILE 102 -7.246 -2.739 1.365 857 H SER 103 H SER 103 -6.195 -7.092 1.625 858 HA SER 103 HA SER 103 -6.921 -8.330 4.092 859 1HB SER 103 1HB SER 103 -6.735 -9.322 1.238 860 2HB SER 103 2HB SER 103 -7.309 -10.371 2.530 861 HG SER 103 HG SER 103 -8.923 -9.064 1.338 862 H ALA 104 H ALA 104 -4.208 -9.120 1.864 863 HA ALA 104 HA ALA 104 -3.198 -11.380 3.337 864 1HB ALA 104 1HB ALA 104 -0.950 -10.390 2.254 865 2HB ALA 104 2HB ALA 104 -2.107 -9.385 1.381 866 3HB ALA 104 3HB ALA 104 -2.192 -11.143 1.253 867 H PHE 105 H PHE 105 -2.713 -7.860 3.770 868 HA PHE 105 HA PHE 105 -0.569 -7.896 5.656 869 1HB PHE 105 1HB PHE 105 -1.857 -5.944 4.481 870 2HB PHE 105 2HB PHE 105 -2.965 -6.051 5.845 871 HD1 PHE 105 HD1 PHE 105 -1.681 -6.194 8.239 872 HD2 PHE 105 HD2 PHE 105 -0.124 -4.439 4.651 873 HE1 PHE 105 HE1 PHE 105 -0.139 -4.804 9.580 874 HE2 PHE 105 HE2 PHE 105 1.425 -3.059 5.989 875 HZ PHE 105 HZ PHE 105 1.412 -3.241 8.450 876 H SER 106 H SER 106 -4.121 -8.073 6.237 877 HA SER 106 HA SER 106 -3.893 -8.314 9.111 878 1HB SER 106 1HB SER 106 -5.950 -7.807 7.585 879 2HB SER 106 2HB SER 106 -6.101 -9.558 7.465 880 HG SER 106 HG SER 106 -7.312 -8.686 9.211 881 H THR 107 H THR 107 -3.754 -10.741 6.481 882 HA THR 107 HA THR 107 -3.932 -13.018 8.302 883 HB THR 107 HB THR 107 -2.786 -12.846 5.483 884 HG1 THR 107 HG1 THR 107 -4.820 -12.326 5.129 885 1HG2 THR 107 1HG2 THR 107 -3.296 -15.045 7.385 886 2HG2 THR 107 2HG2 THR 107 -2.225 -14.989 5.986 887 3HG2 THR 107 3HG2 THR 107 -3.945 -15.311 5.767 888 H MET 108 H MET 108 -1.163 -11.308 6.711 889 HA MET 108 HA MET 108 0.764 -13.063 8.080 890 1HB MET 108 1HB MET 108 1.020 -11.633 5.882 891 2HB MET 108 2HB MET 108 1.430 -10.333 7.001 892 1HG MET 108 1HG MET 108 3.542 -11.172 6.922 893 2HG MET 108 2HG MET 108 2.929 -12.420 8.002 894 1HE MET 108 1HE MET 108 1.836 -15.230 5.583 895 2HE MET 108 2HE MET 108 0.829 -13.837 5.972 896 3HE MET 108 3HE MET 108 1.818 -14.576 7.227 897 H MET 109 H MET 109 -0.750 -9.873 8.690 898 HA MET 109 HA MET 109 0.901 -8.995 10.847 899 1HB MET 109 1HB MET 109 -0.913 -7.656 9.794 900 2HB MET 109 2HB MET 109 -2.118 -8.737 10.492 901 1HG MET 109 1HG MET 109 -0.136 -7.523 12.363 902 2HG MET 109 2HG MET 109 -1.375 -6.457 11.704 903 1HE MET 109 1HE MET 109 -4.150 -6.648 12.731 904 2HE MET 109 2HE MET 109 -2.659 -5.790 13.110 905 3HE MET 109 3HE MET 109 -3.564 -6.579 14.398 906 H SER 110 H SER 110 -1.869 -11.330 10.829 907 HA SER 110 HA SER 110 -1.989 -11.696 13.693 908 1HB SER 110 1HB SER 110 -3.247 -13.665 13.177 909 2HB SER 110 2HB SER 110 -3.570 -12.559 11.844 910 HG SER 110 HG SER 110 -2.994 -14.725 11.196 911 H VAL 111 H VAL 111 0.188 -13.133 11.240 912 HA VAL 111 HA VAL 111 1.380 -15.025 13.128 913 HB VAL 111 HB VAL 111 2.422 -13.934 10.487 914 1HG1 VAL 111 1HG1 VAL 111 4.254 -15.038 11.403 915 2HG1 VAL 111 2HG1 VAL 111 3.445 -16.372 10.581 916 3HG1 VAL 111 3HG1 VAL 111 3.249 -16.160 12.321 917 1HG2 VAL 111 1HG2 VAL 111 0.399 -16.008 11.218 918 2HG2 VAL 111 2HG2 VAL 111 1.489 -16.376 9.880 919 3HG2 VAL 111 3HG2 VAL 111 0.459 -14.946 9.811 920 H HIS 112 H HIS 112 1.753 -11.577 12.792 921 HA HIS 112 HA HIS 112 4.553 -11.588 13.675 922 1HB HIS 112 1HB HIS 112 4.503 -9.439 12.911 923 2HB HIS 112 2HB HIS 112 2.966 -9.893 12.193 924 HD1 HIS 112 HD1 HIS 112 0.877 -9.568 14.152 925 HD2 HIS 112 HD2 HIS 112 4.244 -7.190 14.332 926 HE1 HIS 112 HE1 HIS 112 0.256 -7.594 15.592 927 H ARG 113 H ARG 113 1.342 -11.578 15.178 928 HA ARG 113 HA ARG 113 2.289 -10.416 17.708 929 1HB ARG 113 1HB ARG 113 -0.118 -10.533 16.648 930 2HB ARG 113 2HB ARG 113 -0.178 -12.124 17.405 931 1HG ARG 113 1HG ARG 113 -0.951 -10.919 19.193 932 2HG ARG 113 2HG ARG 113 0.773 -10.678 19.482 933 1HD ARG 113 1HD ARG 113 0.530 -8.605 17.923 934 2HD ARG 113 2HD ARG 113 -1.208 -8.767 18.245 935 HE ARG 113 HE ARG 113 0.857 -8.088 20.242 936 1HH1 ARG 113 1HH1 ARG 113 -1.975 -6.904 19.723 937 2HH1 ARG 113 2HH1 ARG 113 -2.783 -7.414 21.168 938 1HH2 ARG 113 1HH2 ARG 113 -0.339 -9.716 22.038 939 2HH2 ARG 113 2HH2 ARG 113 -1.856 -9.006 22.478 940 H GLY 114 H GLY 114 1.783 -13.739 16.421 941 1HA GLY 114 1HA GLY 114 2.807 -14.808 19.015 942 2HA GLY 114 2HA GLY 114 1.915 -15.746 17.816 943 H GLU 115 H GLU 115 4.688 -13.544 17.208 944 HA GLU 115 HA GLU 115 6.512 -15.829 16.787 945 1HB GLU 115 1HB GLU 115 4.928 -15.567 14.779 946 2HB GLU 115 2HB GLU 115 5.778 -14.057 14.449 947 1HG GLU 115 1HG GLU 115 7.930 -15.318 14.397 948 2HG GLU 115 2HG GLU 115 7.024 -16.817 14.613 949 H VAL 116 H VAL 116 6.651 -13.433 18.487 950 HA VAL 116 HA VAL 116 9.064 -12.151 17.264 951 HB VAL 116 HB VAL 116 6.757 -10.815 18.722 952 1HG1 VAL 116 1HG1 VAL 116 9.220 -9.588 17.441 953 2HG1 VAL 116 2HG1 VAL 116 8.989 -9.790 19.178 954 3HG1 VAL 116 3HG1 VAL 116 7.926 -8.718 18.266 955 1HG2 VAL 116 1HG2 VAL 116 7.690 -10.547 15.846 956 2HG2 VAL 116 2HG2 VAL 116 6.290 -9.759 16.572 957 3HG2 VAL 116 3HG2 VAL 116 6.304 -11.509 16.357 958 HA PRO 117 HA PRO 117 10.488 -13.411 21.338 959 1HB PRO 117 1HB PRO 117 13.054 -12.488 21.126 960 2HB PRO 117 2HB PRO 117 12.506 -13.994 20.364 961 1HG PRO 117 1HG PRO 117 12.932 -11.310 19.160 962 2HG PRO 117 2HG PRO 117 13.261 -12.914 18.489 963 1HD PRO 117 1HD PRO 117 11.084 -11.404 17.819 964 2HD PRO 117 2HD PRO 117 11.121 -13.179 17.734 965 H CYS 118 H CYS 118 11.200 -12.247 23.349 966 HA CYS 118 HA CYS 118 11.146 -9.266 23.154 967 1HB CYS 118 1HB CYS 118 8.879 -10.508 23.627 968 2HB CYS 118 2HB CYS 118 9.553 -10.739 25.241 969 HG CYS 118 HG CYS 118 8.203 -8.417 25.033 970 H THR 119 H THR 119 12.404 -8.248 24.822 971 HA THR 119 HA THR 119 13.574 -10.028 26.917 972 HB THR 119 HB THR 119 15.103 -9.990 24.993 973 HG1 THR 119 HG1 THR 119 16.136 -9.975 26.940 974 1HG2 THR 119 1HG2 THR 119 14.933 -8.137 23.691 975 2HG2 THR 119 2HG2 THR 119 16.114 -7.444 24.803 976 3HG2 THR 119 3HG2 THR 119 14.395 -7.128 25.035 977 H VAL 120 H VAL 120 11.514 -7.965 27.203 978 HA VAL 120 HA VAL 120 12.974 -6.149 29.054 979 HB VAL 120 HB VAL 120 12.862 -5.062 26.829 980 1HG1 VAL 120 1HG1 VAL 120 10.729 -4.515 25.807 981 2HG1 VAL 120 2HG1 VAL 120 9.852 -5.229 27.160 982 3HG1 VAL 120 3HG1 VAL 120 10.792 -6.255 26.077 983 1HG2 VAL 120 1HG2 VAL 120 10.805 -3.546 28.346 984 2HG2 VAL 120 2HG2 VAL 120 12.361 -3.009 27.715 985 3HG2 VAL 120 3HG2 VAL 120 12.289 -3.926 29.219 986 1H GLN 1 1H GLN 1 16.253 -10.832 -18.802 987 2H GLN 1 2H GLN 1 16.121 -12.217 -19.778 988 3H GLN 1 3H GLN 1 15.502 -12.226 -18.196 989 HA GLN 1 HA GLN 1 14.461 -10.687 -20.519 990 1HB GLN 1 1HB GLN 1 13.841 -13.177 -19.017 991 2HB GLN 1 2HB GLN 1 12.454 -12.182 -19.462 992 1HG GLN 1 1HG GLN 1 12.626 -13.395 -21.407 993 2HG GLN 1 2HG GLN 1 13.774 -12.116 -21.802 994 1HE2 GLN 1 1HE2 GLN 1 13.849 -15.265 -19.967 995 2HE2 GLN 1 2HE2 GLN 1 15.338 -15.751 -20.619 996 H LYS 2 H LYS 2 13.646 -11.555 -17.090 997 HA LYS 2 HA LYS 2 12.590 -10.272 -15.416 998 1HB LYS 2 1HB LYS 2 14.520 -8.530 -16.873 999 2HB LYS 2 2HB LYS 2 13.405 -7.724 -15.770 1000 1HG LYS 2 1HG LYS 2 14.131 -9.080 -13.917 1001 2HG LYS 2 2HG LYS 2 15.074 -10.124 -14.982 1002 1HD LYS 2 1HD LYS 2 15.637 -7.170 -14.874 1003 2HD LYS 2 2HD LYS 2 16.313 -8.248 -13.652 1004 1HE LYS 2 1HE LYS 2 16.606 -9.140 -16.478 1005 2HE LYS 2 2HE LYS 2 17.588 -7.749 -15.980 1006 1HZ LYS 2 1HZ LYS 2 18.646 -9.918 -15.477 1007 2HZ LYS 2 2HZ LYS 2 17.357 -10.272 -14.429 1008 3HZ LYS 2 3HZ LYS 2 18.389 -8.963 -14.099 1009 H THR 3 H THR 3 10.354 -10.505 -16.161 1010 HA THR 3 HA THR 3 9.291 -8.027 -17.465 1011 HB THR 3 HB THR 3 8.171 -10.736 -18.106 1012 HG1 THR 3 HG1 THR 3 9.723 -11.062 -19.629 1013 1HG2 THR 3 1HG2 THR 3 8.512 -8.130 -19.612 1014 2HG2 THR 3 2HG2 THR 3 7.012 -8.778 -18.949 1015 3HG2 THR 3 3HG2 THR 3 7.801 -9.589 -20.301 1016 H GLY 4 H GLY 4 7.976 -7.164 -15.832 1017 1HA GLY 4 1HA GLY 4 5.634 -7.575 -14.910 1018 2HA GLY 4 2HA GLY 4 6.283 -9.096 -14.295 1019 H THR 5 H THR 5 6.769 -8.991 -12.123 1020 HA THR 5 HA THR 5 7.884 -6.405 -11.079 1021 HB THR 5 HB THR 5 6.554 -7.327 -8.954 1022 HG1 THR 5 HG1 THR 5 4.795 -8.502 -9.538 1023 1HG2 THR 5 1HG2 THR 5 5.471 -5.848 -11.351 1024 2HG2 THR 5 2HG2 THR 5 6.037 -5.182 -9.820 1025 3HG2 THR 5 3HG2 THR 5 4.514 -6.069 -9.886 1026 H ALA 6 H ALA 6 9.042 -6.832 -8.864 1027 HA ALA 6 HA ALA 6 10.180 -9.589 -8.701 1028 1HB ALA 6 1HB ALA 6 12.093 -7.351 -8.403 1029 2HB ALA 6 2HB ALA 6 11.427 -7.539 -10.027 1030 3HB ALA 6 3HB ALA 6 12.279 -8.881 -9.263 1031 H GLU 7 H GLU 7 8.266 -8.304 -6.901 1032 HA GLU 7 HA GLU 7 7.970 -7.842 -4.607 1033 1HB GLU 7 1HB GLU 7 10.496 -9.483 -4.779 1034 2HB GLU 7 2HB GLU 7 9.919 -8.902 -3.217 1035 1HG GLU 7 1HG GLU 7 7.983 -10.261 -5.058 1036 2HG GLU 7 2HG GLU 7 9.121 -11.247 -4.141 1037 H VAL 8 H VAL 8 8.851 -5.623 -6.003 1038 HA VAL 8 HA VAL 8 11.308 -4.424 -5.155 1039 HB VAL 8 HB VAL 8 8.626 -3.119 -5.771 1040 1HG1 VAL 8 1HG1 VAL 8 9.847 -1.097 -6.179 1041 2HG1 VAL 8 2HG1 VAL 8 11.397 -1.926 -6.033 1042 3HG1 VAL 8 3HG1 VAL 8 10.388 -1.685 -4.607 1043 1HG2 VAL 8 1HG2 VAL 8 10.126 -2.776 -7.987 1044 2HG2 VAL 8 2HG2 VAL 8 9.096 -4.190 -7.755 1045 3HG2 VAL 8 3HG2 VAL 8 10.823 -4.291 -7.410 1046 H SER 9 H SER 9 8.066 -4.370 -3.595 1047 HA SER 9 HA SER 9 8.683 -2.605 -1.430 1048 1HB SER 9 1HB SER 9 6.434 -3.653 -2.067 1049 2HB SER 9 2HB SER 9 6.974 -5.111 -1.240 1050 HG SER 9 HG SER 9 6.526 -2.521 -0.188 1051 H SER 10 H SER 10 9.326 -6.114 -1.816 1052 HA SER 10 HA SER 10 10.393 -6.486 0.875 1053 1HB SER 10 1HB SER 10 9.578 -8.331 -0.588 1054 2HB SER 10 2HB SER 10 10.887 -8.002 -1.719 1055 HG SER 10 HG SER 10 12.332 -8.745 -0.276 1056 H ILE 11 H ILE 11 11.877 -5.806 -2.329 1057 HA ILE 11 HA ILE 11 14.619 -5.842 -1.412 1058 HB ILE 11 HB ILE 11 13.296 -4.310 -3.690 1059 1HG1 ILE 11 1HG1 ILE 11 14.897 -6.775 -4.149 1060 2HG1 ILE 11 2HG1 ILE 11 13.331 -7.005 -3.373 1061 1HG2 ILE 11 1HG2 ILE 11 15.682 -4.587 -4.660 1062 2HG2 ILE 11 2HG2 ILE 11 16.178 -4.878 -2.993 1063 3HG2 ILE 11 3HG2 ILE 11 15.437 -3.340 -3.438 1064 1HD1 ILE 11 1HD1 ILE 11 12.160 -6.348 -5.230 1065 2HD1 ILE 11 2HD1 ILE 11 13.624 -6.886 -6.054 1066 3HD1 ILE 11 3HD1 ILE 11 13.383 -5.173 -5.713 1067 H LEU 12 H LEU 12 12.157 -3.225 -1.558 1068 HA LEU 12 HA LEU 12 13.862 -1.035 -0.852 1069 1HB LEU 12 1HB LEU 12 10.937 -1.656 -0.384 1070 2HB LEU 12 2HB LEU 12 11.647 -0.132 0.152 1071 HG LEU 12 HG LEU 12 12.119 -1.039 -2.667 1072 1HD1 LEU 12 1HD1 LEU 12 9.796 -1.245 -2.745 1073 2HD1 LEU 12 2HD1 LEU 12 10.005 0.464 -3.129 1074 3HD1 LEU 12 3HD1 LEU 12 9.546 -0.024 -1.498 1075 1HD2 LEU 12 1HD2 LEU 12 11.477 1.756 -1.834 1076 2HD2 LEU 12 2HD2 LEU 12 12.657 1.179 -3.012 1077 3HD2 LEU 12 3HD2 LEU 12 13.014 1.084 -1.288 1078 H GLU 13 H GLU 13 12.264 -3.492 1.228 1079 HA GLU 13 HA GLU 13 12.767 -2.267 3.768 1080 1HB GLU 13 1HB GLU 13 11.364 -4.295 3.370 1081 2HB GLU 13 2HB GLU 13 12.829 -5.220 3.034 1082 1HG GLU 13 1HG GLU 13 13.487 -4.117 5.436 1083 2HG GLU 13 2HG GLU 13 11.741 -4.279 5.626 1084 H GLU 14 H GLU 14 14.885 -4.374 1.768 1085 HA GLU 14 HA GLU 14 17.037 -4.597 3.669 1086 1HB GLU 14 1HB GLU 14 16.809 -4.748 0.663 1087 2HB GLU 14 2HB GLU 14 18.390 -4.867 1.437 1088 1HG GLU 14 1HG GLU 14 17.618 -6.757 2.791 1089 2HG GLU 14 2HG GLU 14 16.003 -6.616 2.097 1090 H ARG 15 H ARG 15 16.349 -2.111 1.169 1091 HA ARG 15 HA ARG 15 18.784 -0.624 1.421 1092 1HB ARG 15 1HB ARG 15 17.036 -0.309 -0.337 1093 2HB ARG 15 2HB ARG 15 15.979 0.415 0.876 1094 1HG ARG 15 1HG ARG 15 17.354 2.305 1.132 1095 2HG ARG 15 2HG ARG 15 18.755 1.496 0.429 1096 1HD ARG 15 1HD ARG 15 16.425 1.669 -1.387 1097 2HD ARG 15 2HD ARG 15 17.157 3.230 -0.964 1098 HE ARG 15 HE ARG 15 18.575 0.972 -2.285 1099 1HH1 ARG 15 1HH1 ARG 15 19.628 3.206 -0.147 1100 2HH1 ARG 15 2HH1 ARG 15 20.618 4.111 -1.244 1101 1HH2 ARG 15 1HH2 ARG 15 19.374 2.546 -4.077 1102 2HH2 ARG 15 2HH2 ARG 15 20.474 3.737 -3.468 1103 H ILE 16 H ILE 16 15.807 -0.534 3.428 1104 HA ILE 16 HA ILE 16 16.968 1.688 5.048 1105 HB ILE 16 HB ILE 16 14.303 0.229 5.185 1106 1HG1 ILE 16 1HG1 ILE 16 14.565 3.057 4.282 1107 2HG1 ILE 16 2HG1 ILE 16 15.094 1.809 3.155 1108 1HG2 ILE 16 1HG2 ILE 16 14.698 1.207 7.324 1109 2HG2 ILE 16 2HG2 ILE 16 13.671 2.357 6.467 1110 3HG2 ILE 16 3HG2 ILE 16 15.404 2.658 6.611 1111 1HD1 ILE 16 1HD1 ILE 16 12.976 0.986 2.857 1112 2HD1 ILE 16 2HD1 ILE 16 12.529 2.630 3.312 1113 3HD1 ILE 16 3HD1 ILE 16 12.491 1.342 4.515 1114 H LEU 17 H LEU 17 15.985 -1.759 5.421 1115 HA LEU 17 HA LEU 17 17.375 -1.750 8.082 1116 1HB LEU 17 1HB LEU 17 15.165 -3.511 6.967 1117 2HB LEU 17 2HB LEU 17 15.856 -3.648 8.584 1118 HG LEU 17 HG LEU 17 15.203 -0.969 8.467 1119 1HD1 LEU 17 1HD1 LEU 17 14.032 -1.393 6.297 1120 2HD1 LEU 17 2HD1 LEU 17 12.948 -0.812 7.560 1121 3HD1 LEU 17 3HD1 LEU 17 12.968 -2.523 7.132 1122 1HD2 LEU 17 1HD2 LEU 17 13.437 -3.254 9.409 1123 2HD2 LEU 17 2HD2 LEU 17 13.346 -1.582 9.963 1124 3HD2 LEU 17 3HD2 LEU 17 14.771 -2.555 10.328 1125 H GLY 18 H GLY 18 18.673 -3.722 8.568 1126 1HA GLY 18 1HA GLY 18 20.075 -4.714 6.199 1127 2HA GLY 18 2HA GLY 18 20.452 -5.118 7.875 1128 H ALA 19 H ALA 19 20.384 -7.377 7.913 1129 HA ALA 19 HA ALA 19 17.901 -8.661 6.813 1130 1HB ALA 19 1HB ALA 19 19.251 -10.261 5.874 1131 2HB ALA 19 2HB ALA 19 20.381 -10.239 7.226 1132 3HB ALA 19 3HB ALA 19 20.470 -8.991 5.983 1133 H ASP 20 H ASP 20 17.138 -10.582 8.079 1134 HA ASP 20 HA ASP 20 18.062 -10.520 10.936 1135 1HB ASP 20 1HB ASP 20 15.335 -10.595 9.645 1136 2HB ASP 20 2HB ASP 20 15.564 -11.162 11.300 1137 H THR 21 H THR 21 16.082 -12.585 8.705 1138 HA THR 21 HA THR 21 17.496 -14.967 9.868 1139 HB THR 21 HB THR 21 15.347 -16.133 9.247 1140 HG1 THR 21 HG1 THR 21 14.535 -14.820 7.690 1141 1HG2 THR 21 1HG2 THR 21 14.048 -15.182 11.087 1142 2HG2 THR 21 2HG2 THR 21 15.017 -13.709 11.036 1143 3HG2 THR 21 3HG2 THR 21 15.755 -15.233 11.528 1144 H SER 22 H SER 22 18.601 -16.280 8.381 1145 HA SER 22 HA SER 22 17.963 -15.932 5.474 1146 1HB SER 22 1HB SER 22 20.643 -15.830 6.890 1147 2HB SER 22 2HB SER 22 20.478 -15.972 5.142 1148 HG SER 22 HG SER 22 20.667 -13.801 5.726 1149 H VAL 23 H VAL 23 16.888 -18.122 6.694 1150 HA VAL 23 HA VAL 23 18.710 -20.340 5.847 1151 HB VAL 23 HB VAL 23 17.959 -21.574 7.882 1152 1HG1 VAL 23 1HG1 VAL 23 19.982 -19.888 7.718 1153 2HG1 VAL 23 2HG1 VAL 23 19.525 -20.572 9.278 1154 3HG1 VAL 23 3HG1 VAL 23 19.016 -18.939 8.847 1155 1HG2 VAL 23 1HG2 VAL 23 16.433 -20.735 9.375 1156 2HG2 VAL 23 2HG2 VAL 23 15.885 -19.822 7.969 1157 3HG2 VAL 23 3HG2 VAL 23 16.966 -19.070 9.141 1158 H ASP 24 H ASP 24 16.583 -19.259 4.251 1159 HA ASP 24 HA ASP 24 14.724 -21.598 4.231 1160 1HB ASP 24 1HB ASP 24 14.120 -18.674 4.553 1161 2HB ASP 24 2HB ASP 24 12.965 -19.690 3.689 1162 H LEU 25 H LEU 25 13.401 -21.534 2.058 1163 HA LEU 25 HA LEU 25 13.483 -21.583 -0.300 1164 1HB LEU 25 1HB LEU 25 13.422 -19.043 0.549 1165 2HB LEU 25 2HB LEU 25 14.999 -19.006 -0.242 1166 HG LEU 25 HG LEU 25 13.919 -19.979 -2.293 1167 1HD1 LEU 25 1HD1 LEU 25 11.956 -21.028 -1.621 1168 2HD1 LEU 25 2HD1 LEU 25 11.318 -19.498 -2.223 1169 3HD1 LEU 25 3HD1 LEU 25 11.534 -19.742 -0.490 1170 1HD2 LEU 25 1HD2 LEU 25 13.124 -17.885 -3.064 1171 2HD2 LEU 25 2HD2 LEU 25 14.248 -17.462 -1.772 1172 3HD2 LEU 25 3HD2 LEU 25 12.510 -17.436 -1.472 Start of MODEL 28 1 1H PHE 1 1H PHE 1 -12.562 -22.544 26.688 2 2H PHE 1 2H PHE 1 -13.870 -23.600 26.937 3 3H PHE 1 3H PHE 1 -14.105 -21.920 27.016 4 HA PHE 1 HA PHE 1 -13.301 -23.403 24.562 5 1HB PHE 1 1HB PHE 1 -15.587 -23.862 25.575 6 2HB PHE 1 2HB PHE 1 -15.953 -22.153 25.334 7 HD1 PHE 1 HD1 PHE 1 -15.087 -25.321 23.605 8 HD2 PHE 1 HD2 PHE 1 -16.440 -21.268 23.160 9 HE1 PHE 1 HE1 PHE 1 -15.669 -25.776 21.237 10 HE2 PHE 1 HE2 PHE 1 -17.023 -21.723 20.792 11 HZ PHE 1 HZ PHE 1 -16.638 -23.976 19.831 12 H ALA 2 H ALA 2 -12.881 -21.993 22.783 13 HA ALA 2 HA ALA 2 -13.222 -19.057 23.292 14 1HB ALA 2 1HB ALA 2 -10.853 -20.316 21.900 15 2HB ALA 2 2HB ALA 2 -10.883 -20.093 23.648 16 3HB ALA 2 3HB ALA 2 -10.980 -18.693 22.579 17 H LYS 3 H LYS 3 -12.816 -17.852 21.034 18 HA LYS 3 HA LYS 3 -14.147 -19.467 18.878 19 1HB LYS 3 1HB LYS 3 -15.375 -17.558 20.175 20 2HB LYS 3 2HB LYS 3 -14.360 -16.478 19.217 21 1HG LYS 3 1HG LYS 3 -16.214 -16.674 17.827 22 2HG LYS 3 2HG LYS 3 -15.198 -17.976 17.208 23 1HD LYS 3 1HD LYS 3 -16.454 -19.361 19.115 24 2HD LYS 3 2HD LYS 3 -17.689 -18.131 18.848 25 1HE LYS 3 1HE LYS 3 -18.334 -19.653 17.218 26 2HE LYS 3 2HE LYS 3 -17.140 -18.738 16.274 27 1HZ LYS 3 1HZ LYS 3 -16.624 -21.199 17.859 28 2HZ LYS 3 2HZ LYS 3 -15.425 -20.280 17.081 29 3HZ LYS 3 3HZ LYS 3 -16.615 -21.076 16.167 30 H LEU 4 H LEU 4 -11.888 -19.964 18.073 31 HA LEU 4 HA LEU 4 -10.795 -17.656 16.506 32 1HB LEU 4 1HB LEU 4 -9.355 -19.640 18.292 33 2HB LEU 4 2HB LEU 4 -8.519 -18.597 17.140 34 HG LEU 4 HG LEU 4 -10.034 -16.743 18.383 35 1HD1 LEU 4 1HD1 LEU 4 -10.601 -17.245 20.550 36 2HD1 LEU 4 2HD1 LEU 4 -9.248 -18.355 20.757 37 3HD1 LEU 4 3HD1 LEU 4 -10.693 -18.879 19.893 38 1HD2 LEU 4 1HD2 LEU 4 -7.442 -17.813 19.541 39 2HD2 LEU 4 2HD2 LEU 4 -8.043 -16.157 19.641 40 3HD2 LEU 4 3HD2 LEU 4 -7.533 -16.819 18.088 41 H VAL 5 H VAL 5 -9.565 -18.388 14.556 42 HA VAL 5 HA VAL 5 -9.956 -21.259 13.834 43 HB VAL 5 HB VAL 5 -11.889 -19.954 13.028 44 1HG1 VAL 5 1HG1 VAL 5 -9.780 -18.285 11.623 45 2HG1 VAL 5 2HG1 VAL 5 -10.847 -17.744 12.919 46 3HG1 VAL 5 3HG1 VAL 5 -11.516 -18.158 11.341 47 1HG2 VAL 5 1HG2 VAL 5 -11.912 -20.919 10.934 48 2HG2 VAL 5 2HG2 VAL 5 -10.492 -21.735 11.588 49 3HG2 VAL 5 3HG2 VAL 5 -10.297 -20.336 10.533 50 H ARG 6 H ARG 6 -8.243 -22.070 12.528 51 HA ARG 6 HA ARG 6 -6.313 -20.098 11.387 52 1HB ARG 6 1HB ARG 6 -5.901 -21.148 13.825 53 2HB ARG 6 2HB ARG 6 -5.254 -22.473 12.856 54 1HG ARG 6 1HG ARG 6 -3.344 -21.205 12.973 55 2HG ARG 6 2HG ARG 6 -4.084 -20.408 11.584 56 1HD ARG 6 1HD ARG 6 -5.050 -18.685 13.042 57 2HD ARG 6 2HD ARG 6 -4.391 -19.505 14.471 58 HE ARG 6 HE ARG 6 -2.833 -17.979 12.496 59 1HH1 ARG 6 1HH1 ARG 6 -2.599 -18.161 15.588 60 2HH1 ARG 6 2HH1 ARG 6 -1.061 -18.943 15.730 61 1HH2 ARG 6 1HH2 ARG 6 -0.962 -19.938 12.410 62 2HH2 ARG 6 2HH2 ARG 6 -0.134 -19.950 13.931 63 HA PRO 7 HA PRO 7 -7.196 -23.663 8.568 64 1HB PRO 7 1HB PRO 7 -7.373 -22.180 6.276 65 2HB PRO 7 2HB PRO 7 -8.754 -22.452 7.357 66 1HG PRO 7 1HG PRO 7 -6.992 -20.069 7.100 67 2HG PRO 7 2HG PRO 7 -8.737 -20.159 7.383 68 1HD PRO 7 1HD PRO 7 -6.910 -19.651 9.346 69 2HD PRO 7 2HD PRO 7 -8.489 -20.412 9.641 70 HA PRO 8 HA PRO 8 -3.063 -23.922 7.051 71 1HB PRO 8 1HB PRO 8 -3.310 -25.181 4.633 72 2HB PRO 8 2HB PRO 8 -3.540 -26.014 6.183 73 1HG PRO 8 1HG PRO 8 -5.569 -24.980 4.271 74 2HG PRO 8 2HG PRO 8 -5.584 -26.458 5.244 75 1HD PRO 8 1HD PRO 8 -6.981 -24.203 5.894 76 2HD PRO 8 2HD PRO 8 -6.416 -25.392 7.086 77 H VAL 9 H VAL 9 -5.334 -22.827 4.469 78 HA VAL 9 HA VAL 9 -3.381 -21.521 2.822 79 HB VAL 9 HB VAL 9 -5.719 -22.003 2.145 80 1HG1 VAL 9 1HG1 VAL 9 -7.544 -21.219 3.252 81 2HG1 VAL 9 2HG1 VAL 9 -6.830 -19.626 3.500 82 3HG1 VAL 9 3HG1 VAL 9 -6.415 -20.954 4.582 83 1HG2 VAL 9 1HG2 VAL 9 -5.348 -19.006 2.073 84 2HG2 VAL 9 2HG2 VAL 9 -6.025 -20.057 0.830 85 3HG2 VAL 9 3HG2 VAL 9 -4.293 -20.083 1.157 86 H GLN 10 H GLN 10 -2.085 -19.759 3.314 87 HA GLN 10 HA GLN 10 -3.054 -17.880 5.448 88 1HB GLN 10 1HB GLN 10 -0.848 -19.468 5.438 89 2HB GLN 10 2HB GLN 10 -0.184 -18.017 4.686 90 1HG GLN 10 1HG GLN 10 -1.889 -17.514 7.051 91 2HG GLN 10 2HG GLN 10 -0.392 -18.382 7.390 92 1HE2 GLN 10 1HE2 GLN 10 1.468 -17.071 7.625 93 2HE2 GLN 10 2HE2 GLN 10 1.584 -15.474 7.062 94 H ILE 11 H ILE 11 -0.870 -17.907 2.550 95 HA ILE 11 HA ILE 11 -1.956 -15.190 1.893 96 HB ILE 11 HB ILE 11 0.317 -15.198 2.836 97 1HG1 ILE 11 1HG1 ILE 11 1.352 -14.308 0.452 98 2HG1 ILE 11 2HG1 ILE 11 -0.380 -14.257 0.126 99 1HG2 ILE 11 1HG2 ILE 11 1.852 -16.229 0.691 100 2HG2 ILE 11 2HG2 ILE 11 0.628 -17.445 1.048 101 3HG2 ILE 11 3HG2 ILE 11 1.711 -16.886 2.320 102 1HD1 ILE 11 1HD1 ILE 11 1.231 -12.664 2.053 103 2HD1 ILE 11 2HD1 ILE 11 -0.369 -13.170 2.597 104 3HD1 ILE 11 3HD1 ILE 11 -0.200 -12.204 1.130 105 H TYR 12 H TYR 12 -2.406 -14.813 -0.346 106 HA TYR 12 HA TYR 12 -1.854 -16.991 -2.298 107 1HB TYR 12 1HB TYR 12 -4.546 -16.649 -2.700 108 2HB TYR 12 2HB TYR 12 -3.879 -17.917 -1.679 109 HD1 TYR 12 HD1 TYR 12 -3.733 -17.577 0.797 110 HD2 TYR 12 HD2 TYR 12 -5.801 -14.800 -1.744 111 HE1 TYR 12 HE1 TYR 12 -4.769 -16.560 2.781 112 HE2 TYR 12 HE2 TYR 12 -6.883 -13.798 0.252 113 HH TYR 12 HH TYR 12 -7.234 -15.114 3.021 114 H GLY 13 H GLY 13 -0.622 -15.187 -3.373 115 1HA GLY 13 1HA GLY 13 -1.356 -14.026 -5.568 116 2HA GLY 13 2HA GLY 13 -2.401 -13.077 -4.509 117 H ILE 14 H ILE 14 0.616 -13.107 -6.001 118 HA ILE 14 HA ILE 14 2.487 -12.034 -4.208 119 HB ILE 14 HB ILE 14 2.935 -12.483 -6.591 120 1HG1 ILE 14 1HG1 ILE 14 4.303 -10.501 -7.107 121 2HG1 ILE 14 2HG1 ILE 14 3.411 -9.559 -5.915 122 1HG2 ILE 14 1HG2 ILE 14 0.634 -11.337 -7.203 123 2HG2 ILE 14 2HG2 ILE 14 1.971 -11.308 -8.350 124 3HG2 ILE 14 3HG2 ILE 14 1.632 -9.892 -7.356 125 1HD1 ILE 14 1HD1 ILE 14 5.746 -10.964 -5.423 126 2HD1 ILE 14 2HD1 ILE 14 4.498 -12.051 -4.812 127 3HD1 ILE 14 3HD1 ILE 14 4.612 -10.402 -4.194 128 H GLU 15 H GLU 15 -0.348 -10.321 -5.571 129 HA GLU 15 HA GLU 15 0.334 -7.644 -4.887 130 1HB GLU 15 1HB GLU 15 -2.132 -9.201 -5.377 131 2HB GLU 15 2HB GLU 15 -2.373 -7.801 -4.338 132 1HG GLU 15 1HG GLU 15 -0.863 -6.614 -6.186 133 2HG GLU 15 2HG GLU 15 -1.509 -7.909 -7.196 134 H GLY 16 H GLY 16 -0.895 -10.273 -2.777 135 1HA GLY 16 1HA GLY 16 -1.296 -8.581 -0.467 136 2HA GLY 16 2HA GLY 16 -1.115 -10.339 -0.435 137 H ARG 17 H ARG 17 1.473 -10.508 -1.695 138 HA ARG 17 HA ARG 17 3.241 -10.193 0.520 139 1HB ARG 17 1HB ARG 17 3.419 -11.434 -1.838 140 2HB ARG 17 2HB ARG 17 4.290 -9.965 -2.279 141 1HG ARG 17 1HG ARG 17 6.015 -11.313 -1.462 142 2HG ARG 17 2HG ARG 17 5.578 -10.378 -0.031 143 1HD ARG 17 1HD ARG 17 5.658 -12.634 0.738 144 2HD ARG 17 2HD ARG 17 3.929 -12.328 0.479 145 HE ARG 17 HE ARG 17 4.006 -13.713 -1.462 146 1HH1 ARG 17 1HH2 ARG 17 6.425 -14.686 0.420 147 2HH1 ARG 17 2HH2 ARG 17 7.549 -15.117 -0.825 148 1HH2 ARG 17 1HH1 ARG 17 5.758 -13.553 -3.349 149 2HH2 ARG 17 2HH1 ARG 17 7.171 -14.474 -2.959 150 H TYR 18 H TYR 18 2.282 -7.809 -1.955 151 HA TYR 18 HA TYR 18 4.429 -5.943 -1.657 152 1HB TYR 18 1HB TYR 18 1.594 -5.891 -2.539 153 2HB TYR 18 2HB TYR 18 2.210 -4.341 -1.990 154 HD1 TYR 18 HD1 TYR 18 2.619 -3.057 -3.877 155 HD2 TYR 18 HD2 TYR 18 3.911 -7.152 -3.811 156 HE1 TYR 18 HE1 TYR 18 3.739 -2.733 -6.059 157 HE2 TYR 18 HE2 TYR 18 5.039 -6.830 -5.997 158 HH TYR 18 HH TYR 18 6.021 -4.414 -7.219 159 H ALA 19 H ALA 19 1.342 -6.166 0.190 160 HA ALA 19 HA ALA 19 2.119 -4.007 2.018 161 1HB ALA 19 1HB ALA 19 0.166 -5.935 3.058 162 2HB ALA 19 2HB ALA 19 -0.225 -5.409 1.420 163 3HB ALA 19 3HB ALA 19 -0.035 -4.219 2.709 164 H THR 20 H THR 20 2.283 -7.594 2.113 165 HA THR 20 HA THR 20 3.234 -7.724 4.842 166 HB THR 20 HB THR 20 4.187 -9.886 3.133 167 HG1 THR 20 HG1 THR 20 2.153 -10.479 2.343 168 1HG2 THR 20 1HG2 THR 20 1.844 -10.102 4.983 169 2HG2 THR 20 2HG2 THR 20 3.409 -9.674 5.673 170 3HG2 THR 20 3HG2 THR 20 3.221 -11.187 4.787 171 H ALA 21 H ALA 21 4.917 -7.291 1.709 172 HA ALA 21 HA ALA 21 7.568 -7.579 2.962 173 1HB ALA 21 1HB ALA 21 8.342 -7.403 0.793 174 2HB ALA 21 2HB ALA 21 7.224 -6.098 0.395 175 3HB ALA 21 3HB ALA 21 6.659 -7.769 0.416 176 H LEU 22 H LEU 22 5.207 -5.027 2.873 177 HA LEU 22 HA LEU 22 7.298 -2.930 3.298 178 1HB LEU 22 1HB LEU 22 5.402 -2.495 1.736 179 2HB LEU 22 2HB LEU 22 4.268 -2.777 3.056 180 HG LEU 22 HG LEU 22 5.949 -0.916 4.176 181 1HD1 LEU 22 1HD1 LEU 22 7.214 -0.186 2.398 182 2HD1 LEU 22 2HD1 LEU 22 5.807 0.852 2.166 183 3HD1 LEU 22 3HD1 LEU 22 5.987 -0.619 1.208 184 1HD2 LEU 22 1HD2 LEU 22 4.057 0.717 3.245 185 2HD2 LEU 22 2HD2 LEU 22 3.689 -0.506 4.461 186 3HD2 LEU 22 3HD2 LEU 22 3.313 -0.807 2.765 187 H TYR 23 H TYR 23 4.452 -4.426 4.914 188 HA TYR 23 HA TYR 23 4.993 -2.967 7.377 189 1HB TYR 23 1HB TYR 23 2.891 -3.639 7.851 190 2HB TYR 23 2HB TYR 23 2.841 -4.383 6.264 191 HD1 TYR 23 HD1 TYR 23 2.451 -6.645 6.085 192 HD2 TYR 23 HD2 TYR 23 3.952 -5.079 9.765 193 HE1 TYR 23 HE1 TYR 23 2.268 -8.882 7.097 194 HE2 TYR 23 HE2 TYR 23 3.730 -7.302 10.829 195 HH TYR 23 HH TYR 23 3.712 -9.949 9.513 196 H SER 24 H SER 24 6.420 -5.812 5.897 197 HA SER 24 HA SER 24 7.118 -7.425 8.125 198 1HB SER 24 1HB SER 24 7.941 -8.299 6.142 199 2HB SER 24 2HB SER 24 8.358 -6.713 5.500 200 HG SER 24 HG SER 24 9.747 -8.279 7.411 201 H ALA 25 H ALA 25 8.586 -4.353 7.001 202 HA ALA 25 HA ALA 25 10.548 -4.260 9.193 203 1HB ALA 25 1HB ALA 25 9.654 -1.742 7.890 204 2HB ALA 25 2HB ALA 25 10.252 -2.973 6.778 205 3HB ALA 25 3HB ALA 25 11.287 -2.381 8.076 206 H ALA 26 H ALA 26 7.313 -2.859 8.459 207 HA ALA 26 HA ALA 26 6.946 -1.241 10.776 208 1HB ALA 26 1HB ALA 26 4.535 -1.610 10.359 209 2HB ALA 26 2HB ALA 26 4.910 -3.019 9.371 210 3HB ALA 26 3HB ALA 26 5.387 -1.410 8.829 211 H SER 27 H SER 27 6.478 -4.789 10.394 212 HA SER 27 HA SER 27 5.307 -5.356 12.953 213 1HB SER 27 1HB SER 27 5.740 -6.912 10.941 214 2HB SER 27 2HB SER 27 7.379 -7.085 11.562 215 HG SER 27 HG SER 27 6.279 -8.687 12.536 216 H LYS 28 H LYS 28 8.769 -5.066 12.002 217 HA LYS 28 HA LYS 28 9.833 -5.676 14.634 218 1HB LYS 28 1HB LYS 28 11.008 -5.577 12.313 219 2HB LYS 28 2HB LYS 28 11.133 -3.842 12.606 220 1HG LYS 28 1HG LYS 28 12.130 -4.539 14.910 221 2HG LYS 28 2HG LYS 28 12.389 -6.106 14.144 222 1HD LYS 28 1HD LYS 28 13.246 -3.711 12.599 223 2HD LYS 28 2HD LYS 28 14.208 -4.124 14.018 224 1HE LYS 28 1HE LYS 28 14.280 -6.520 13.102 225 2HE LYS 28 2HE LYS 28 13.656 -5.841 11.586 226 1HZ LYS 28 1HZ LYS 28 16.124 -5.040 13.028 227 2HZ LYS 28 2HZ LYS 28 15.466 -4.162 11.731 228 3HZ LYS 28 3HZ LYS 28 16.024 -5.749 11.491 229 H GLN 29 H GLN 29 8.866 -2.610 13.024 230 HA GLN 29 HA GLN 29 9.611 -1.037 15.421 231 1HB GLN 29 1HB GLN 29 8.558 -0.482 12.664 232 2HB GLN 29 2HB GLN 29 8.428 0.769 13.900 233 1HG GLN 29 1HG GLN 29 10.909 0.420 14.348 234 2HG GLN 29 2HG GLN 29 10.947 -0.567 12.886 235 1HE2 GLN 29 1HE2 GLN 29 9.869 0.649 10.864 236 2HE2 GLN 29 2HE2 GLN 29 10.269 2.292 10.722 237 H ASN 30 H ASN 30 6.937 -3.007 14.779 238 HA ASN 30 HA ASN 30 4.843 -3.167 15.813 239 1HB ASN 30 1HB ASN 30 6.482 -2.053 17.665 240 2HB ASN 30 2HB ASN 30 5.320 -0.740 17.474 241 1HD2 ASN 30 1HD2 ASN 30 5.660 -2.678 19.816 242 2HD2 ASN 30 2HD2 ASN 30 4.133 -3.397 19.994 243 H LYS 31 H LYS 31 5.076 -1.716 13.353 244 HA LYS 31 HA LYS 31 3.214 0.591 13.770 245 1HB LYS 31 1HB LYS 31 5.162 -0.207 11.602 246 2HB LYS 31 2HB LYS 31 3.981 1.081 11.369 247 1HG LYS 31 1HG LYS 31 5.596 1.174 13.869 248 2HG LYS 31 2HG LYS 31 6.434 1.549 12.362 249 1HD LYS 31 1HD LYS 31 4.203 3.011 11.984 250 2HD LYS 31 2HD LYS 31 4.266 3.044 13.746 251 1HE LYS 31 1HE LYS 31 6.798 3.590 12.228 252 2HE LYS 31 2HE LYS 31 5.580 4.875 12.350 253 1HZ LYS 31 1HZ LYS 31 7.209 4.760 14.246 254 2HZ LYS 31 2HZ LYS 31 6.486 3.287 14.686 255 3HZ LYS 31 3HZ LYS 31 5.573 4.719 14.692 256 H LEU 32 H LEU 32 2.662 -2.584 13.370 257 HA LEU 32 HA LEU 32 1.293 -3.102 10.965 258 1HB LEU 32 1HB LEU 32 0.967 -3.903 13.848 259 2HB LEU 32 2HB LEU 32 -0.273 -4.402 12.702 260 HG LEU 32 HG LEU 32 1.702 -6.024 13.118 261 1HD1 LEU 32 1HD1 LEU 32 1.350 -6.939 11.024 262 2HD1 LEU 32 2HD1 LEU 32 1.411 -5.372 10.213 263 3HD1 LEU 32 3HD1 LEU 32 -0.015 -5.833 11.137 264 1HD2 LEU 32 1HD2 LEU 32 3.544 -4.423 12.951 265 2HD2 LEU 32 2HD2 LEU 32 3.078 -4.022 11.298 266 3HD2 LEU 32 3HD2 LEU 32 3.684 -5.624 11.684 267 H GLU 33 H GLU 33 0.135 -1.226 13.800 268 HA GLU 33 HA GLU 33 -2.531 -0.784 12.633 269 1HB GLU 33 1HB GLU 33 -1.505 -0.586 15.141 270 2HB GLU 33 2HB GLU 33 -1.392 1.104 14.649 271 1HG GLU 33 1HG GLU 33 -3.800 1.037 13.997 272 2HG GLU 33 2HG GLU 33 -3.891 -0.614 14.610 273 H GLN 34 H GLN 34 0.534 1.076 12.877 274 HA GLN 34 HA GLN 34 -0.372 3.467 11.556 275 1HB GLN 34 1HB GLN 34 2.330 2.116 11.765 276 2HB GLN 34 2HB GLN 34 2.111 3.709 11.041 277 1HG GLN 34 1HG GLN 34 0.718 3.763 13.516 278 2HG GLN 34 2HG GLN 34 2.274 3.001 13.840 279 1HE2 GLN 34 1HE2 GLN 34 0.940 5.900 12.093 280 2HE2 GLN 34 2HE2 GLN 34 2.264 6.893 12.470 281 H VAL 35 H VAL 35 0.633 0.307 10.228 282 HA VAL 35 HA VAL 35 0.498 1.485 7.484 283 HB VAL 35 HB VAL 35 1.263 -1.363 8.121 284 1HG1 VAL 35 1HG1 VAL 35 2.806 -0.946 6.198 285 2HG1 VAL 35 2HG1 VAL 35 2.130 0.677 6.061 286 3HG1 VAL 35 3HG1 VAL 35 1.104 -0.732 5.787 287 1HG2 VAL 35 1HG2 VAL 35 2.875 -0.589 9.559 288 2HG2 VAL 35 2HG2 VAL 35 2.735 1.068 8.971 289 3HG2 VAL 35 3HG2 VAL 35 3.702 -0.105 8.081 290 H GLU 36 H GLU 36 -0.993 -1.142 9.468 291 HA GLU 36 HA GLU 36 -2.698 -2.131 7.342 292 1HB GLU 36 1HB GLU 36 -2.075 -3.219 9.595 293 2HB GLU 36 2HB GLU 36 -3.342 -2.217 10.298 294 1HG GLU 36 1HG GLU 36 -4.137 -3.670 7.849 295 2HG GLU 36 2HG GLU 36 -3.762 -4.703 9.228 296 H LYS 37 H LYS 37 -3.070 0.609 9.598 297 HA LYS 37 HA LYS 37 -5.934 0.910 8.875 298 1HB LYS 37 1HB LYS 37 -4.870 1.342 11.185 299 2HB LYS 37 2HB LYS 37 -4.202 2.813 10.475 300 1HG LYS 37 1HG LYS 37 -7.115 2.296 10.083 301 2HG LYS 37 2HG LYS 37 -6.586 2.804 11.687 302 1HD LYS 37 1HD LYS 37 -5.205 4.578 10.209 303 2HD LYS 37 2HD LYS 37 -6.564 4.310 9.118 304 1HE LYS 37 1HE LYS 37 -7.909 5.592 10.416 305 2HE LYS 37 2HE LYS 37 -7.524 4.613 11.845 306 1HZ LYS 37 1HZ LYS 37 -5.546 5.833 12.207 307 2HZ LYS 37 2HZ LYS 37 -6.763 6.989 11.949 308 3HZ LYS 37 3HZ LYS 37 -5.660 6.623 10.710 309 H GLU 38 H GLU 38 -2.808 2.594 8.309 310 HA GLU 38 HA GLU 38 -4.020 4.719 6.718 311 1HB GLU 38 1HB GLU 38 -1.184 3.635 6.939 312 2HB GLU 38 2HB GLU 38 -1.614 5.138 6.140 313 1HG GLU 38 1HG GLU 38 -2.595 4.739 8.923 314 2HG GLU 38 2HG GLU 38 -0.886 5.101 8.701 315 H LEU 39 H LEU 39 -2.333 1.627 5.951 316 HA LEU 39 HA LEU 39 -2.509 1.853 3.077 317 1HB LEU 39 1HB LEU 39 -1.115 0.189 4.307 318 2HB LEU 39 2HB LEU 39 -2.582 -0.627 4.844 319 HG LEU 39 HG LEU 39 -3.200 -0.983 2.446 320 1HD1 LEU 39 1HD1 LEU 39 -0.424 0.150 1.999 321 2HD1 LEU 39 2HD1 LEU 39 -1.945 0.851 1.446 322 3HD1 LEU 39 3HD1 LEU 39 -1.376 -0.673 0.764 323 1HD2 LEU 39 1HD2 LEU 39 -1.946 -2.683 3.828 324 2HD2 LEU 39 2HD2 LEU 39 -0.450 -2.059 3.134 325 3HD2 LEU 39 3HD2 LEU 39 -1.655 -2.817 2.093 326 H LEU 40 H LEU 40 -4.816 0.579 5.528 327 HA LEU 40 HA LEU 40 -6.758 -0.520 3.737 328 1HB LEU 40 1HB LEU 40 -6.715 -0.699 6.254 329 2HB LEU 40 2HB LEU 40 -7.275 0.971 6.336 330 HG LEU 40 HG LEU 40 -9.155 0.082 4.698 331 1HD1 LEU 40 1HD1 LEU 40 -9.701 -2.315 5.652 332 2HD1 LEU 40 2HD1 LEU 40 -7.963 -2.376 5.943 333 3HD1 LEU 40 3HD1 LEU 40 -8.575 -2.141 4.306 334 1HD2 LEU 40 1HD2 LEU 40 -10.591 -0.189 6.599 335 2HD2 LEU 40 2HD2 LEU 40 -9.354 0.972 7.082 336 3HD2 LEU 40 3HD2 LEU 40 -9.248 -0.705 7.621 337 H ARG 41 H ARG 41 -6.218 2.879 4.760 338 HA ARG 41 HA ARG 41 -8.605 4.052 3.734 339 1HB ARG 41 1HB ARG 41 -6.687 5.118 5.073 340 2HB ARG 41 2HB ARG 41 -5.842 5.286 3.534 341 1HG ARG 41 1HG ARG 41 -6.931 7.303 3.497 342 2HG ARG 41 2HG ARG 41 -8.241 6.320 2.840 343 1HD ARG 41 1HD ARG 41 -9.271 6.109 5.027 344 2HD ARG 41 2HD ARG 41 -7.887 6.905 5.801 345 HE ARG 41 HE ARG 41 -8.469 8.934 4.399 346 1HH1 ARG 41 1HH2 ARG 41 -10.545 8.507 6.533 347 2HH1 ARG 41 2HH2 ARG 41 -12.017 8.626 5.626 348 1HH2 ARG 41 1HH1 ARG 41 -10.469 8.204 2.553 349 2HH2 ARG 41 2HH1 ARG 41 -11.974 8.454 3.373 350 H VAL 42 H VAL 42 -5.563 3.186 2.023 351 HA VAL 42 HA VAL 42 -6.238 4.369 -0.513 352 HB VAL 42 HB VAL 42 -4.578 1.912 0.189 353 1HG1 VAL 42 1HG1 VAL 42 -4.674 3.568 -2.356 354 2HG1 VAL 42 2HG1 VAL 42 -5.166 1.882 -2.193 355 3HG1 VAL 42 3HG1 VAL 42 -3.471 2.327 -2.007 356 1HG2 VAL 42 1HG2 VAL 42 -3.395 4.525 -0.613 357 2HG2 VAL 42 2HG2 VAL 42 -2.817 3.342 0.560 358 3HG2 VAL 42 3HG2 VAL 42 -4.128 4.442 0.989 359 H GLY 43 H GLY 43 -7.009 1.139 0.871 360 1HA GLY 43 1HA GLY 43 -8.247 0.081 -1.488 361 2HA GLY 43 2HA GLY 43 -8.546 -0.481 0.159 362 H GLN 44 H GLN 44 -9.628 1.791 1.372 363 HA GLN 44 HA GLN 44 -12.360 1.749 0.437 364 1HB GLN 44 1HB GLN 44 -11.541 2.308 2.767 365 2HB GLN 44 2HB GLN 44 -11.006 3.870 2.143 366 1HG GLN 44 1HG GLN 44 -13.285 4.436 1.487 367 2HG GLN 44 2HG GLN 44 -13.853 2.839 1.976 368 1HE2 GLN 44 1HE2 GLN 44 -14.634 2.698 4.120 369 2HE2 GLN 44 2HE2 GLN 44 -14.268 3.818 5.343 370 H ILE 45 H ILE 45 -9.708 4.133 -0.035 371 HA ILE 45 HA ILE 45 -11.283 6.082 -1.474 372 HB ILE 45 HB ILE 45 -8.325 5.353 -1.571 373 1HG1 ILE 45 1HG1 ILE 45 -9.637 7.724 -0.225 374 2HG1 ILE 45 2HG1 ILE 45 -9.430 6.179 0.602 375 1HG2 ILE 45 1HG2 ILE 45 -9.737 7.018 -3.374 376 2HG2 ILE 45 2HG2 ILE 45 -7.990 6.917 -3.171 377 3HG2 ILE 45 3HG2 ILE 45 -8.914 8.114 -2.265 378 1HD1 ILE 45 1HD1 ILE 45 -7.000 6.276 0.184 379 2HD1 ILE 45 2HD1 ILE 45 -7.542 7.692 1.085 380 3HD1 ILE 45 3HD1 ILE 45 -7.204 7.822 -0.641 381 H LEU 46 H LEU 46 -9.334 3.282 -2.603 382 HA LEU 46 HA LEU 46 -9.936 3.740 -5.413 383 1HB LEU 46 1HB LEU 46 -9.017 1.274 -3.895 384 2HB LEU 46 2HB LEU 46 -9.022 1.411 -5.654 385 HG LEU 46 HG LEU 46 -7.547 3.311 -3.810 386 1HD1 LEU 46 1HD1 LEU 46 -6.559 1.074 -3.680 387 2HD1 LEU 46 2HD1 LEU 46 -5.508 2.144 -4.608 388 3HD1 LEU 46 3HD1 LEU 46 -6.526 0.968 -5.441 389 1HD2 LEU 46 1HD2 LEU 46 -8.136 4.318 -5.935 390 2HD2 LEU 46 2HD2 LEU 46 -7.569 2.897 -6.811 391 3HD2 LEU 46 3HD2 LEU 46 -6.417 3.928 -5.964 392 H LYS 47 H LYS 47 -11.568 1.884 -2.830 393 HA LYS 47 HA LYS 47 -13.407 0.526 -4.663 394 1HB LYS 47 1HB LYS 47 -13.053 0.855 -1.716 395 2HB LYS 47 2HB LYS 47 -14.691 0.509 -2.264 396 1HG LYS 47 1HG LYS 47 -12.479 -1.119 -3.430 397 2HG LYS 47 2HG LYS 47 -12.948 -1.451 -1.762 398 1HD LYS 47 1HD LYS 47 -14.969 -1.256 -4.001 399 2HD LYS 47 2HD LYS 47 -14.197 -2.778 -3.555 400 1HE LYS 47 1HE LYS 47 -15.373 -1.178 -1.326 401 2HE LYS 47 2HE LYS 47 -16.507 -1.993 -2.422 402 1HZ LYS 47 1HZ LYS 47 -14.132 -3.331 -1.249 403 2HZ LYS 47 2HZ LYS 47 -15.420 -4.055 -2.088 404 3HZ LYS 47 3HZ LYS 47 -15.671 -3.400 -0.540 405 H GLU 48 H GLU 48 -13.389 3.590 -2.820 406 HA GLU 48 HA GLU 48 -16.074 4.370 -2.996 407 1HB GLU 48 1HB GLU 48 -13.427 5.753 -2.998 408 2HB GLU 48 2HB GLU 48 -14.838 6.730 -3.414 409 1HG GLU 48 1HG GLU 48 -14.711 4.973 -0.950 410 2HG GLU 48 2HG GLU 48 -14.270 6.681 -0.941 411 HA PRO 49 HA PRO 49 -16.711 4.666 -7.397 412 1HB PRO 49 1HB PRO 49 -19.019 6.135 -7.406 413 2HB PRO 49 2HB PRO 49 -18.976 4.409 -6.992 414 1HG PRO 49 1HG PRO 49 -19.121 6.780 -5.205 415 2HG PRO 49 2HG PRO 49 -19.923 5.209 -5.063 416 1HD PRO 49 1HD PRO 49 -17.712 5.913 -3.626 417 2HD PRO 49 2HD PRO 49 -18.121 4.236 -4.048 418 H LYS 50 H LYS 50 -17.075 7.636 -5.392 419 HA LYS 50 HA LYS 50 -16.647 9.508 -7.563 420 1HB LYS 50 1HB LYS 50 -16.196 9.720 -4.564 421 2HB LYS 50 2HB LYS 50 -16.151 11.094 -5.668 422 1HG LYS 50 1HG LYS 50 -18.534 9.248 -5.569 423 2HG LYS 50 2HG LYS 50 -18.386 10.610 -4.458 424 1HD LYS 50 1HD LYS 50 -17.878 11.196 -7.329 425 2HD LYS 50 2HD LYS 50 -19.547 10.827 -6.891 426 1HE LYS 50 1HE LYS 50 -19.271 12.540 -4.992 427 2HE LYS 50 2HE LYS 50 -17.795 13.057 -5.832 428 1HZ LYS 50 1HZ LYS 50 -19.037 13.414 -7.829 429 2HZ LYS 50 2HZ LYS 50 -19.814 14.259 -6.578 430 3HZ LYS 50 3HZ LYS 50 -20.451 12.786 -7.134 431 H MET 51 H MET 51 -14.386 7.738 -5.423 432 HA MET 51 HA MET 51 -12.081 9.247 -6.544 433 1HB MET 51 1HB MET 51 -12.666 7.634 -4.177 434 2HB MET 51 2HB MET 51 -11.155 7.145 -4.932 435 1HG MET 51 1HG MET 51 -10.192 8.882 -3.874 436 2HG MET 51 2HG MET 51 -11.034 9.925 -5.014 437 1HE MET 51 1HE MET 51 -11.058 8.043 -1.776 438 2HE MET 51 2HE MET 51 -12.726 7.653 -2.186 439 3HE MET 51 3HE MET 51 -12.387 8.699 -0.810 440 H ALA 52 H ALA 52 -13.529 5.970 -6.716 441 HA ALA 52 HA ALA 52 -11.422 4.600 -8.056 442 1HB ALA 52 1HB ALA 52 -13.530 3.430 -9.187 443 2HB ALA 52 2HB ALA 52 -14.426 4.414 -8.028 444 3HB ALA 52 3HB ALA 52 -13.236 3.243 -7.459 445 H ALA 53 H ALA 53 -13.984 6.710 -9.421 446 HA ALA 53 HA ALA 53 -13.342 6.344 -12.192 447 1HB ALA 53 1HB ALA 53 -14.614 8.509 -10.538 448 2HB ALA 53 2HB ALA 53 -15.331 7.505 -11.799 449 3HB ALA 53 3HB ALA 53 -14.256 8.833 -12.235 450 H SER 54 H SER 54 -11.633 8.206 -9.685 451 HA SER 54 HA SER 54 -9.975 9.557 -11.767 452 1HB SER 54 1HB SER 54 -10.269 9.836 -8.757 453 2HB SER 54 2HB SER 54 -9.082 10.743 -9.693 454 HG SER 54 HG SER 54 -11.909 10.803 -9.871 455 H LEU 55 H LEU 55 -9.525 7.504 -8.825 456 HA LEU 55 HA LEU 55 -6.676 7.179 -9.207 457 1HB LEU 55 1HB LEU 55 -8.723 5.417 -7.815 458 2HB LEU 55 2HB LEU 55 -6.974 5.270 -7.629 459 HG LEU 55 HG LEU 55 -8.078 7.991 -7.215 460 1HD1 LEU 55 1HD1 LEU 55 -9.657 6.177 -6.123 461 2HD1 LEU 55 2HD1 LEU 55 -9.172 7.600 -5.201 462 3HD1 LEU 55 3HD1 LEU 55 -8.355 6.058 -4.939 463 1HD2 LEU 55 1HD2 LEU 55 -5.852 7.941 -6.645 464 2HD2 LEU 55 2HD2 LEU 55 -5.893 6.231 -6.216 465 3HD2 LEU 55 3HD2 LEU 55 -6.511 7.438 -5.088 466 H LEU 56 H LEU 56 -9.480 5.384 -10.530 467 HA LEU 56 HA LEU 56 -7.579 3.503 -11.874 468 1HB LEU 56 1HB LEU 56 -9.439 2.591 -10.522 469 2HB LEU 56 2HB LEU 56 -10.598 3.460 -11.525 470 HG LEU 56 HG LEU 56 -8.740 1.830 -13.110 471 1HD1 LEU 56 1HD1 LEU 56 -9.261 -0.305 -12.364 472 2HD1 LEU 56 2HD1 LEU 56 -10.742 0.222 -11.565 473 3HD1 LEU 56 3HD1 LEU 56 -9.176 0.559 -10.829 474 1HD2 LEU 56 1HD2 LEU 56 -11.081 2.966 -13.616 475 2HD2 LEU 56 2HD2 LEU 56 -11.715 1.449 -12.973 476 3HD2 LEU 56 3HD2 LEU 56 -10.653 1.436 -14.381 477 H ASN 57 H ASN 57 -8.419 6.482 -12.746 478 HA ASN 57 HA ASN 57 -9.793 5.969 -15.290 479 1HB ASN 57 1HB ASN 57 -9.462 8.148 -13.635 480 2HB ASN 57 2HB ASN 57 -8.339 8.516 -14.943 481 1HD2 ASN 57 1HD2 ASN 57 -11.228 9.561 -14.197 482 2HD2 ASN 57 2HD2 ASN 57 -12.045 9.466 -15.682 483 HA PRO 58 HA PRO 58 -5.880 5.134 -17.308 484 1HB PRO 58 1HB PRO 58 -6.863 4.594 -19.794 485 2HB PRO 58 2HB PRO 58 -6.938 3.436 -18.453 486 1HG PRO 58 1HG PRO 58 -9.070 5.109 -19.622 487 2HG PRO 58 2HG PRO 58 -9.172 3.530 -18.835 488 1HD PRO 58 1HD PRO 58 -9.828 5.995 -17.686 489 2HD PRO 58 2HD PRO 58 -9.596 4.462 -16.823 490 H TYR 59 H TYR 59 -7.711 7.930 -17.605 491 HA TYR 59 HA TYR 59 -6.420 8.958 -20.058 492 1HB TYR 59 1HB TYR 59 -8.510 9.942 -18.098 493 2HB TYR 59 2HB TYR 59 -7.893 10.966 -19.401 494 HD1 TYR 59 HD1 TYR 59 -9.532 7.675 -18.707 495 HD2 TYR 59 HD2 TYR 59 -8.696 10.726 -21.619 496 HE1 TYR 59 HE1 TYR 59 -11.064 6.569 -20.306 497 HE2 TYR 59 HE2 TYR 59 -10.236 9.618 -23.217 498 HH TYR 59 HH TYR 59 -11.080 7.046 -23.473 499 H VAL 60 H VAL 60 -6.233 9.354 -16.495 500 HA VAL 60 HA VAL 60 -4.770 11.784 -16.374 501 HB VAL 60 HB VAL 60 -4.630 9.287 -14.643 502 1HG1 VAL 60 1HG1 VAL 60 -3.809 10.953 -12.890 503 2HG1 VAL 60 2HG1 VAL 60 -3.500 12.065 -14.223 504 3HG1 VAL 60 3HG1 VAL 60 -2.641 10.527 -14.141 505 1HG2 VAL 60 1HG2 VAL 60 -6.748 10.901 -15.060 506 2HG2 VAL 60 2HG2 VAL 60 -5.939 11.818 -13.790 507 3HG2 VAL 60 3HG2 VAL 60 -6.422 10.147 -13.499 508 H LYS 61 H LYS 61 -2.856 8.796 -15.685 509 HA LYS 61 HA LYS 61 -1.152 8.816 -17.956 510 1HB LYS 61 1HB LYS 61 -0.795 11.057 -16.119 511 2HB LYS 61 2HB LYS 61 0.688 10.111 -16.248 512 1HG LYS 61 1HG LYS 61 0.964 10.591 -18.487 513 2HG LYS 61 2HG LYS 61 -0.768 10.741 -18.778 514 1HD LYS 61 1HD LYS 61 -0.419 12.820 -17.085 515 2HD LYS 61 2HD LYS 61 1.175 12.782 -17.837 516 1HE LYS 61 1HE LYS 61 -0.367 12.507 -20.052 517 2HE LYS 61 2HE LYS 61 -1.453 13.479 -19.037 518 1HZ LYS 61 1HZ LYS 61 0.407 14.974 -18.571 519 2HZ LYS 61 2HZ LYS 61 0.071 14.913 -20.236 520 3HZ LYS 61 3HZ LYS 61 1.405 14.072 -19.604 521 H ARG 62 H ARG 62 1.311 8.122 -17.070 522 HA ARG 62 HA ARG 62 0.764 5.856 -15.188 523 1HB ARG 62 1HB ARG 62 1.821 5.753 -17.613 524 2HB ARG 62 2HB ARG 62 3.296 6.222 -16.767 525 1HG ARG 62 1HG ARG 62 1.564 3.874 -15.949 526 2HG ARG 62 2HG ARG 62 2.992 3.729 -16.976 527 1HD ARG 62 1HD ARG 62 3.997 5.198 -14.884 528 2HD ARG 62 2HD ARG 62 2.827 4.149 -14.055 529 HE ARG 62 HE ARG 62 4.158 2.283 -14.648 530 1HH1 ARG 62 1HH2 ARG 62 6.467 4.266 -14.723 531 2HH1 ARG 62 2HH2 ARG 62 7.179 3.896 -16.258 532 1HH2 ARG 62 1HH1 ARG 62 4.421 2.138 -17.411 533 2HH2 ARG 62 2HH1 ARG 62 6.021 2.693 -17.780 534 H SER 63 H SER 63 3.214 8.447 -15.794 535 HA SER 63 HA SER 63 4.316 8.011 -13.058 536 1HB SER 63 1HB SER 63 6.154 9.339 -13.838 537 2HB SER 63 2HB SER 63 5.703 8.314 -15.196 538 HG SER 63 HG SER 63 5.977 10.577 -15.713 539 H VAL 64 H VAL 64 2.658 10.558 -14.986 540 HA VAL 64 HA VAL 64 2.770 12.646 -13.014 541 HB VAL 64 HB VAL 64 0.618 12.010 -15.074 542 1HG1 VAL 64 1HG1 VAL 64 1.306 14.621 -13.684 543 2HG1 VAL 64 2HG1 VAL 64 -0.124 13.641 -13.358 544 3HG1 VAL 64 3HG1 VAL 64 0.078 14.408 -14.933 545 1HG2 VAL 64 1HG2 VAL 64 2.000 13.973 -16.207 546 2HG2 VAL 64 2HG2 VAL 64 2.536 12.299 -16.356 547 3HG2 VAL 64 3HG2 VAL 64 3.292 13.365 -15.171 548 H LYS 65 H LYS 65 0.293 10.074 -13.537 549 HA LYS 65 HA LYS 65 -1.533 10.827 -11.484 550 1HB LYS 65 1HB LYS 65 -1.640 8.938 -13.262 551 2HB LYS 65 2HB LYS 65 -0.780 7.957 -12.075 552 1HG LYS 65 1HG LYS 65 -3.143 9.457 -11.076 553 2HG LYS 65 2HG LYS 65 -3.474 8.107 -12.161 554 1HD LYS 65 1HD LYS 65 -2.321 6.561 -10.735 555 2HD LYS 65 2HD LYS 65 -1.660 7.868 -9.751 556 1HE LYS 65 1HE LYS 65 -4.622 7.824 -9.967 557 2HE LYS 65 2HE LYS 65 -3.894 6.494 -9.044 558 1HZ LYS 65 1HZ LYS 65 -4.298 8.572 -7.732 559 2HZ LYS 65 2HZ LYS 65 -3.124 9.338 -8.692 560 3HZ LYS 65 3HZ LYS 65 -2.693 8.021 -7.709 561 H VAL 66 H VAL 66 1.530 8.971 -11.231 562 HA VAL 66 HA VAL 66 1.243 8.176 -8.473 563 HB VAL 66 HB VAL 66 3.756 8.863 -10.051 564 1HG1 VAL 66 1HG1 VAL 66 4.218 8.718 -7.659 565 2HG1 VAL 66 2HG1 VAL 66 4.841 7.272 -8.455 566 3HG1 VAL 66 3HG1 VAL 66 3.328 7.199 -7.549 567 1HG2 VAL 66 1HG2 VAL 66 3.543 6.111 -9.934 568 2HG2 VAL 66 2HG2 VAL 66 3.064 7.100 -11.312 569 3HG2 VAL 66 3HG2 VAL 66 1.861 6.606 -10.123 570 H LYS 67 H LYS 67 2.610 11.156 -9.952 571 HA LYS 67 HA LYS 67 3.583 12.388 -7.562 572 1HB LYS 67 1HB LYS 67 3.578 13.070 -10.158 573 2HB LYS 67 2HB LYS 67 2.215 14.062 -9.639 574 1HG LYS 67 1HG LYS 67 4.619 14.136 -7.895 575 2HG LYS 67 2HG LYS 67 4.787 14.893 -9.479 576 1HD LYS 67 1HD LYS 67 2.309 15.498 -7.935 577 2HD LYS 67 2HD LYS 67 3.811 16.232 -7.373 578 1HE LYS 67 1HE LYS 67 3.324 16.367 -10.307 579 2HE LYS 67 2HE LYS 67 2.284 17.379 -9.286 580 1HZ LYS 67 1HZ LYS 67 4.468 18.409 -9.903 581 2HZ LYS 67 2HZ LYS 67 5.229 17.221 -8.955 582 3HZ LYS 67 3HZ LYS 67 4.163 18.332 -8.236 583 H SER 68 H SER 68 0.266 12.329 -8.936 584 HA SER 68 HA SER 68 -0.955 14.222 -7.177 585 1HB SER 68 1HB SER 68 -1.841 12.792 -9.236 586 2HB SER 68 2HB SER 68 -2.390 11.702 -7.966 587 HG SER 68 HG SER 68 -3.092 14.390 -8.461 588 H LEU 69 H LEU 69 -0.219 10.743 -6.664 589 HA LEU 69 HA LEU 69 -1.665 10.389 -4.214 590 1HB LEU 69 1HB LEU 69 0.708 9.127 -5.541 591 2HB LEU 69 2HB LEU 69 0.413 8.731 -3.848 592 HG LEU 69 HG LEU 69 -1.655 8.490 -6.053 593 1HD1 LEU 69 1HD1 LEU 69 -0.171 6.282 -4.604 594 2HD1 LEU 69 2HD1 LEU 69 0.293 6.878 -6.198 595 3HD1 LEU 69 3HD1 LEU 69 -1.278 6.111 -5.966 596 1HD2 LEU 69 1HD2 LEU 69 -2.879 8.734 -4.080 597 2HD2 LEU 69 2HD2 LEU 69 -1.621 7.996 -3.090 598 3HD2 LEU 69 3HD2 LEU 69 -2.640 6.987 -4.117 599 H SER 70 H SER 70 1.722 11.498 -4.757 600 HA SER 70 HA SER 70 2.422 11.829 -1.989 601 1HB SER 70 1HB SER 70 3.766 12.070 -4.297 602 2HB SER 70 2HB SER 70 3.414 13.777 -4.044 603 HG SER 70 HG SER 70 4.498 13.707 -2.126 604 H ASP 71 H ASP 71 0.844 14.096 -4.292 605 HA ASP 71 HA ASP 71 0.691 16.288 -2.377 606 1HB ASP 71 1HB ASP 71 0.440 16.182 -5.019 607 2HB ASP 71 2HB ASP 71 -1.267 15.957 -4.634 608 H MET 72 H MET 72 -1.289 13.401 -2.895 609 HA MET 72 HA MET 72 -3.558 14.518 -1.333 610 1HB MET 72 1HB MET 72 -3.699 12.846 -3.314 611 2HB MET 72 2HB MET 72 -3.102 11.637 -2.176 612 1HG MET 72 1HG MET 72 -5.008 12.323 -0.635 613 2HG MET 72 2HG MET 72 -5.659 13.245 -1.990 614 1HE MET 72 1HE MET 72 -5.223 9.041 -0.963 615 2HE MET 72 2HE MET 72 -3.939 10.246 -1.004 616 3HE MET 72 3HE MET 72 -4.144 9.143 -2.362 617 H THR 73 H THR 73 -0.964 12.059 -1.055 618 HA THR 73 HA THR 73 -1.474 11.145 1.595 619 HB THR 73 HB THR 73 0.932 11.447 -0.206 620 HG1 THR 73 HG1 THR 73 -0.365 9.725 -0.601 621 1HG2 THR 73 1HG2 THR 73 1.954 9.865 1.735 622 2HG2 THR 73 2HG2 THR 73 1.016 10.993 2.715 623 3HG2 THR 73 3HG2 THR 73 2.262 11.598 1.623 624 H ALA 74 H ALA 74 0.240 14.103 0.441 625 HA ALA 74 HA ALA 74 1.198 14.966 3.030 626 1HB ALA 74 1HB ALA 74 1.455 17.142 1.934 627 2HB ALA 74 2HB ALA 74 0.328 16.668 0.662 628 3HB ALA 74 3HB ALA 74 1.899 15.877 0.788 629 H LYS 75 H LYS 75 -1.894 15.558 1.291 630 HA LYS 75 HA LYS 75 -2.963 17.245 3.457 631 1HB LYS 75 1HB LYS 75 -4.256 15.893 1.059 632 2HB LYS 75 2HB LYS 75 -5.060 17.071 2.096 633 1HG LYS 75 1HG LYS 75 -2.933 18.542 1.550 634 2HG LYS 75 2HG LYS 75 -2.823 17.484 0.143 635 1HD LYS 75 1HD LYS 75 -4.158 19.346 -0.542 636 2HD LYS 75 2HD LYS 75 -5.282 18.012 -0.284 637 1HE LYS 75 1HE LYS 75 -5.278 19.060 2.212 638 2HE LYS 75 2HE LYS 75 -4.963 20.530 1.267 639 1HZ LYS 75 1HZ LYS 75 -7.348 20.071 1.438 640 2HZ LYS 75 2HZ LYS 75 -7.116 18.555 0.707 641 3HZ LYS 75 3HZ LYS 75 -6.816 19.979 -0.169 642 H GLU 76 H GLU 76 -3.232 13.802 2.482 643 HA GLU 76 HA GLU 76 -5.325 13.160 4.406 644 1HB GLU 76 1HB GLU 76 -4.295 11.924 2.243 645 2HB GLU 76 2HB GLU 76 -3.399 11.073 3.503 646 1HG GLU 76 1HG GLU 76 -6.391 11.438 3.673 647 2HG GLU 76 2HG GLU 76 -5.677 10.079 2.804 648 H LYS 77 H LYS 77 -1.931 13.802 4.884 649 HA LYS 77 HA LYS 77 -0.572 13.570 6.777 650 1HB LYS 77 1HB LYS 77 -3.059 14.281 7.617 651 2HB LYS 77 2HB LYS 77 -2.877 12.744 8.464 652 1HG LYS 77 1HG LYS 77 -0.662 13.542 9.325 653 2HG LYS 77 2HG LYS 77 -0.989 15.112 8.589 654 1HD LYS 77 1HD LYS 77 -3.230 14.994 9.928 655 2HD LYS 77 2HD LYS 77 -2.389 13.783 10.896 656 1HE LYS 77 1HE LYS 77 -0.468 15.681 10.840 657 2HE LYS 77 2HE LYS 77 -1.904 16.715 10.712 658 1HZ LYS 77 1HZ LYS 77 -1.402 16.232 13.031 659 2HZ LYS 77 2HZ LYS 77 -1.489 14.564 12.723 660 3HZ LYS 77 3HZ LYS 77 -2.879 15.531 12.584 661 H PHE 78 H PHE 78 -0.702 11.287 5.098 662 HA PHE 78 HA PHE 78 -1.408 8.828 6.378 663 1HB PHE 78 1HB PHE 78 0.381 9.697 4.174 664 2HB PHE 78 2HB PHE 78 0.797 8.147 4.896 665 HD1 PHE 78 HD1 PHE 78 -0.811 9.351 2.193 666 HD2 PHE 78 HD2 PHE 78 -1.692 6.908 5.623 667 HE1 PHE 78 HE1 PHE 78 -2.674 8.282 0.955 668 HE2 PHE 78 HE2 PHE 78 -3.555 5.848 4.380 669 HZ PHE 78 HZ PHE 78 -4.046 6.529 2.049 670 H SER 79 H SER 79 0.725 7.189 6.808 671 HA SER 79 HA SER 79 2.149 8.529 9.058 672 1HB SER 79 1HB SER 79 1.821 6.554 10.223 673 2HB SER 79 2HB SER 79 0.455 6.451 9.123 674 HG SER 79 HG SER 79 1.486 4.556 8.857 675 HA PRO 80 HA PRO 80 5.997 7.462 7.248 676 1HB PRO 80 1HB PRO 80 7.388 5.811 8.905 677 2HB PRO 80 2HB PRO 80 7.102 7.528 9.240 678 1HG PRO 80 1HG PRO 80 5.789 5.138 10.383 679 2HG PRO 80 2HG PRO 80 6.149 6.700 11.131 680 1HD PRO 80 1HD PRO 80 3.679 5.906 10.196 681 2HD PRO 80 2HD PRO 80 4.165 7.588 10.486 682 H LEU 81 H LEU 81 3.818 4.806 7.580 683 HA LEU 81 HA LEU 81 5.591 3.150 5.833 684 1HB LEU 81 1HB LEU 81 3.675 2.578 8.067 685 2HB LEU 81 2HB LEU 81 3.854 1.375 6.781 686 HG LEU 81 HG LEU 81 6.407 2.491 7.785 687 1HD1 LEU 81 1HD1 LEU 81 4.721 2.133 9.794 688 2HD1 LEU 81 2HD1 LEU 81 6.394 1.589 9.916 689 3HD1 LEU 81 3HD1 LEU 81 5.117 0.436 9.535 690 1HD2 LEU 81 1HD2 LEU 81 6.765 0.694 6.384 691 2HD2 LEU 81 2HD2 LEU 81 5.260 -0.102 6.843 692 3HD2 LEU 81 3HD2 LEU 81 6.660 -0.176 7.914 693 H THR 82 H THR 82 3.155 5.320 5.421 694 HA THR 82 HA THR 82 1.697 3.557 3.515 695 HB THR 82 HB THR 82 0.637 6.096 4.784 696 HG1 THR 82 HG1 THR 82 1.019 4.884 6.532 697 1HG2 THR 82 1HG2 THR 82 -0.871 5.474 3.154 698 2HG2 THR 82 2HG2 THR 82 -1.425 4.394 4.428 699 3HG2 THR 82 3HG2 THR 82 -0.359 3.787 3.170 700 H SER 83 H SER 83 4.001 6.069 3.452 701 HA SER 83 HA SER 83 2.835 7.142 0.913 702 1HB SER 83 1HB SER 83 4.054 9.143 1.382 703 2HB SER 83 2HB SER 83 3.458 8.635 2.960 704 HG SER 83 HG SER 83 5.444 7.924 3.491 705 H ASN 84 H ASN 84 4.111 4.565 1.088 706 HA ASN 84 HA ASN 84 6.395 4.987 -0.798 707 1HB ASN 84 1HB ASN 84 6.340 3.682 1.886 708 2HB ASN 84 2HB ASN 84 7.174 2.780 0.620 709 1HD2 ASN 84 1HD2 ASN 84 8.432 4.191 2.972 710 2HD2 ASN 84 2HD2 ASN 84 9.494 5.328 2.293 711 H LEU 85 H LEU 85 4.555 2.375 0.877 712 HA LEU 85 HA LEU 85 4.279 0.657 -1.416 713 1HB LEU 85 1HB LEU 85 3.827 -0.206 0.800 714 2HB LEU 85 2HB LEU 85 2.678 1.082 1.143 715 HG LEU 85 HG LEU 85 1.123 0.167 -0.530 716 1HD1 LEU 85 1HD1 LEU 85 2.342 -0.869 -2.212 717 2HD1 LEU 85 2HD1 LEU 85 1.836 -2.282 -1.285 718 3HD1 LEU 85 3HD1 LEU 85 3.461 -1.626 -1.079 719 1HD2 LEU 85 1HD2 LEU 85 2.009 -2.183 1.133 720 2HD2 LEU 85 2HD2 LEU 85 0.370 -1.644 0.768 721 3HD2 LEU 85 3HD2 LEU 85 1.362 -0.739 1.910 722 H ILE 86 H ILE 86 2.557 3.640 -0.389 723 HA ILE 86 HA ILE 86 0.224 3.343 -2.019 724 HB ILE 86 HB ILE 86 0.603 5.067 -0.230 725 1HG1 ILE 86 1HG1 ILE 86 -0.004 6.786 -2.547 726 2HG1 ILE 86 2HG1 ILE 86 -0.898 5.266 -2.540 727 1HG2 ILE 86 1HG2 ILE 86 2.895 5.724 -0.818 728 2HG2 ILE 86 2HG2 ILE 86 1.835 7.132 -0.839 729 3HG2 ILE 86 3HG2 ILE 86 2.328 6.379 -2.354 730 1HD1 ILE 86 1HD1 ILE 86 -0.711 7.064 -0.115 731 2HD1 ILE 86 2HD1 ILE 86 -1.812 5.709 -0.374 732 3HD1 ILE 86 3HD1 ILE 86 -2.008 7.194 -1.304 733 H ASN 87 H ASN 87 3.511 4.541 -2.822 734 HA ASN 87 HA ASN 87 2.814 5.423 -5.508 735 1HB ASN 87 1HB ASN 87 5.327 4.772 -3.989 736 2HB ASN 87 2HB ASN 87 5.427 4.948 -5.740 737 1HD2 ASN 87 1HD2 ASN 87 6.675 7.006 -5.470 738 2HD2 ASN 87 2HD2 ASN 87 5.869 8.422 -4.995 739 H LEU 88 H LEU 88 4.148 2.360 -4.183 740 HA LEU 88 HA LEU 88 4.509 0.942 -6.633 741 1HB LEU 88 1HB LEU 88 3.937 0.224 -3.776 742 2HB LEU 88 2HB LEU 88 3.803 -1.050 -4.987 743 HG LEU 88 HG LEU 88 6.232 0.730 -4.882 744 1HD1 LEU 88 1HD1 LEU 88 6.482 -0.103 -2.750 745 2HD1 LEU 88 2HD1 LEU 88 7.111 -1.489 -3.641 746 3HD1 LEU 88 3HD1 LEU 88 5.445 -1.496 -3.061 747 1HD2 LEU 88 1HD2 LEU 88 5.643 -2.070 -5.895 748 2HD2 LEU 88 2HD2 LEU 88 7.248 -1.339 -5.889 749 3HD2 LEU 88 3HD2 LEU 88 5.965 -0.638 -6.875 750 H LEU 89 H LEU 89 1.569 1.300 -4.589 751 HA LEU 89 HA LEU 89 -0.125 -0.455 -6.107 752 1HB LEU 89 1HB LEU 89 -0.646 2.007 -4.416 753 2HB LEU 89 2HB LEU 89 -1.959 1.065 -5.124 754 HG LEU 89 HG LEU 89 0.214 -0.180 -3.427 755 1HD1 LEU 89 1HD1 LEU 89 -1.167 1.605 -2.224 756 2HD1 LEU 89 2HD1 LEU 89 -1.229 -0.010 -1.521 757 3HD1 LEU 89 3HD1 LEU 89 -2.571 0.577 -2.502 758 1HD2 LEU 89 1HD2 LEU 89 -2.520 -1.309 -3.622 759 2HD2 LEU 89 2HD2 LEU 89 -0.959 -2.125 -3.672 760 3HD2 LEU 89 3HD2 LEU 89 -1.588 -1.339 -5.119 761 H ALA 90 H ALA 90 0.636 3.028 -6.536 762 HA ALA 90 HA ALA 90 -0.975 2.999 -9.058 763 1HB ALA 90 1HB ALA 90 -0.683 5.494 -8.845 764 2HB ALA 90 2HB ALA 90 0.200 5.212 -7.345 765 3HB ALA 90 3HB ALA 90 -1.500 4.761 -7.465 766 H GLU 91 H GLU 91 1.874 1.793 -8.699 767 HA GLU 91 HA GLU 91 3.407 3.640 -10.492 768 1HB GLU 91 1HB GLU 91 4.043 1.952 -8.294 769 2HB GLU 91 2HB GLU 91 4.793 1.215 -9.705 770 1HG GLU 91 1HG GLU 91 6.006 3.209 -10.224 771 2HG GLU 91 2HG GLU 91 5.071 4.158 -9.068 772 H ASN 92 H ASN 92 2.653 0.111 -10.256 773 HA ASN 92 HA ASN 92 3.140 -0.120 -13.187 774 1HB ASN 92 1HB ASN 92 2.949 -1.966 -10.835 775 2HB ASN 92 2HB ASN 92 2.622 -2.628 -12.438 776 1HD2 ASN 92 1HD2 ASN 92 5.168 -1.732 -10.263 777 2HD2 ASN 92 2HD2 ASN 92 6.447 -1.873 -11.371 778 H GLY 93 H GLY 93 0.468 -0.421 -10.815 779 1HA GLY 93 1HA GLY 93 -1.733 0.318 -11.960 780 2HA GLY 93 2HA GLY 93 -1.389 -1.006 -13.075 781 H ARG 94 H ARG 94 -1.463 -0.525 -9.487 782 HA ARG 94 HA ARG 94 -2.791 -3.213 -9.307 783 1HB ARG 94 1HB ARG 94 -0.985 -1.670 -7.421 784 2HB ARG 94 2HB ARG 94 -1.755 -3.205 -7.013 785 1HG ARG 94 1HG ARG 94 -0.074 -2.920 -9.502 786 2HG ARG 94 2HG ARG 94 0.664 -3.282 -7.940 787 1HD ARG 94 1HD ARG 94 -0.542 -5.338 -7.731 788 2HD ARG 94 2HD ARG 94 -1.634 -4.911 -9.064 789 HE ARG 94 HE ARG 94 1.304 -5.327 -9.485 790 1HH1 ARG 94 1HH2 ARG 94 -1.188 -7.313 -9.821 791 2HH1 ARG 94 2HH2 ARG 94 -1.226 -7.379 -11.552 792 1HH2 ARG 94 1HH1 ARG 94 0.912 -4.681 -11.965 793 2HH2 ARG 94 2HH1 ARG 94 -0.038 -5.888 -12.766 794 H LEU 95 H LEU 95 -4.295 -0.677 -9.751 795 HA LEU 95 HA LEU 95 -5.570 -0.305 -7.061 796 1HB LEU 95 1HB LEU 95 -5.851 1.302 -9.631 797 2HB LEU 95 2HB LEU 95 -6.469 1.761 -8.046 798 HG LEU 95 HG LEU 95 -3.529 1.295 -8.623 799 1HD1 LEU 95 1HD1 LEU 95 -3.258 3.508 -9.165 800 2HD1 LEU 95 2HD1 LEU 95 -4.603 4.030 -8.150 801 3HD1 LEU 95 3HD1 LEU 95 -4.916 3.319 -9.733 802 1HD2 LEU 95 1HD2 LEU 95 -4.813 2.833 -6.354 803 2HD2 LEU 95 2HD2 LEU 95 -3.151 2.259 -6.472 804 3HD2 LEU 95 3HD2 LEU 95 -4.465 1.109 -6.236 805 H THR 96 H THR 96 -6.013 -2.693 -8.842 806 HA THR 96 HA THR 96 -8.927 -2.351 -9.447 807 HB THR 96 HB THR 96 -8.560 -4.289 -10.951 808 HG1 THR 96 HG1 THR 96 -6.603 -5.254 -11.063 809 1HG2 THR 96 1HG2 THR 96 -8.044 -1.904 -11.683 810 2HG2 THR 96 2HG2 THR 96 -7.265 -3.177 -12.624 811 3HG2 THR 96 3HG2 THR 96 -6.344 -2.286 -11.411 812 H ASN 97 H ASN 97 -6.505 -4.774 -8.279 813 HA ASN 97 HA ASN 97 -8.603 -5.930 -6.494 814 1HB ASN 97 1HB ASN 97 -5.865 -6.910 -7.390 815 2HB ASN 97 2HB ASN 97 -6.975 -7.820 -6.363 816 1HD2 ASN 97 1HD2 ASN 97 -6.171 -7.104 -9.667 817 2HD2 ASN 97 2HD2 ASN 97 -7.523 -7.850 -10.372 818 H THR 98 H THR 98 -7.271 -3.301 -5.893 819 HA THR 98 HA THR 98 -5.095 -3.559 -4.117 820 HB THR 98 HB THR 98 -5.951 -1.420 -5.010 821 HG1 THR 98 HG1 THR 98 -4.656 -1.172 -3.284 822 1HG2 THR 98 1HG2 THR 98 -7.895 -0.352 -4.042 823 2HG2 THR 98 2HG2 THR 98 -8.131 -1.700 -2.931 824 3HG2 THR 98 3HG2 THR 98 -8.376 -1.928 -4.662 825 HA PRO 99 HA PRO 99 -8.281 -4.181 -0.497 826 1HB PRO 99 1HB PRO 99 -10.289 -5.965 -1.114 827 2HB PRO 99 2HB PRO 99 -10.501 -4.201 -1.141 828 1HG PRO 99 1HG PRO 99 -9.869 -6.054 -3.408 829 2HG PRO 99 2HG PRO 99 -11.090 -4.768 -3.320 830 1HD PRO 99 1HD PRO 99 -8.826 -4.295 -4.552 831 2HD PRO 99 2HD PRO 99 -9.495 -3.071 -3.469 832 H ALA 100 H ALA 100 -7.728 -6.672 -3.029 833 HA ALA 100 HA ALA 100 -7.299 -8.912 -1.265 834 1HB ALA 100 1HB ALA 100 -7.467 -8.709 -3.892 835 2HB ALA 100 2HB ALA 100 -6.468 -9.980 -3.189 836 3HB ALA 100 3HB ALA 100 -5.717 -8.506 -3.800 837 H VAL 101 H VAL 101 -5.121 -6.263 -2.329 838 HA VAL 101 HA VAL 101 -2.674 -7.395 -1.277 839 HB VAL 101 HB VAL 101 -3.517 -4.488 -1.630 840 1HG1 VAL 101 1HG1 VAL 101 -0.878 -4.426 -2.019 841 2HG1 VAL 101 2HG1 VAL 101 -0.929 -5.823 -0.944 842 3HG1 VAL 101 3HG1 VAL 101 -1.568 -4.271 -0.404 843 1HG2 VAL 101 1HG2 VAL 101 -2.897 -4.638 -3.846 844 2HG2 VAL 101 2HG2 VAL 101 -3.426 -6.302 -3.612 845 3HG2 VAL 101 3HG2 VAL 101 -1.711 -5.904 -3.538 846 H ILE 102 H ILE 102 -5.216 -5.328 0.199 847 HA ILE 102 HA ILE 102 -3.771 -5.046 2.735 848 HB ILE 102 HB ILE 102 -6.696 -4.600 2.030 849 1HG1 ILE 102 1HG1 ILE 102 -4.768 -2.354 2.361 850 2HG1 ILE 102 2HG1 ILE 102 -4.603 -3.317 0.894 851 1HG2 ILE 102 1HG2 ILE 102 -6.729 -3.156 4.009 852 2HG2 ILE 102 2HG2 ILE 102 -5.029 -3.509 4.319 853 3HG2 ILE 102 3HG2 ILE 102 -6.237 -4.786 4.470 854 1HD1 ILE 102 1HD1 ILE 102 -7.221 -3.029 0.769 855 2HD1 ILE 102 2HD1 ILE 102 -6.164 -1.733 0.209 856 3HD1 ILE 102 3HD1 ILE 102 -6.913 -1.634 1.803 857 H SER 103 H SER 103 -6.281 -7.290 1.487 858 HA SER 103 HA SER 103 -7.081 -8.475 3.963 859 1HB SER 103 1HB SER 103 -8.197 -8.963 1.837 860 2HB SER 103 2HB SER 103 -6.729 -9.695 1.197 861 HG SER 103 HG SER 103 -8.447 -10.607 3.246 862 H ALA 104 H ALA 104 -4.345 -9.360 1.792 863 HA ALA 104 HA ALA 104 -3.345 -11.564 3.334 864 1HB ALA 104 1HB ALA 104 -2.429 -11.195 1.162 865 2HB ALA 104 2HB ALA 104 -1.108 -10.809 2.263 866 3HB ALA 104 3HB ALA 104 -2.046 -9.512 1.523 867 H PHE 105 H PHE 105 -2.925 -8.038 3.760 868 HA PHE 105 HA PHE 105 -0.807 -8.005 5.668 869 1HB PHE 105 1HB PHE 105 -2.190 -6.105 4.485 870 2HB PHE 105 2HB PHE 105 -3.262 -6.246 5.875 871 HD1 PHE 105 HD1 PHE 105 -0.404 -4.640 4.605 872 HD2 PHE 105 HD2 PHE 105 -2.025 -6.225 8.244 873 HE1 PHE 105 HE1 PHE 105 1.120 -3.197 5.905 874 HE2 PHE 105 HE2 PHE 105 -0.504 -4.777 9.543 875 HZ PHE 105 HZ PHE 105 1.069 -3.273 8.373 876 H SER 106 H SER 106 -4.351 -8.325 6.215 877 HA SER 106 HA SER 106 -4.124 -8.583 9.095 878 1HB SER 106 1HB SER 106 -6.262 -9.658 7.218 879 2HB SER 106 2HB SER 106 -6.449 -9.380 8.947 880 HG SER 106 HG SER 106 -7.183 -7.674 7.416 881 H THR 107 H THR 107 -3.897 -10.962 6.429 882 HA THR 107 HA THR 107 -4.047 -13.277 8.193 883 HB THR 107 HB THR 107 -2.638 -13.291 5.526 884 HG1 THR 107 HG1 THR 107 -4.528 -13.048 4.480 885 1HG2 THR 107 1HG2 THR 107 -4.326 -15.343 5.445 886 2HG2 THR 107 2HG2 THR 107 -4.283 -15.147 7.196 887 3HG2 THR 107 3HG2 THR 107 -2.793 -15.461 6.307 888 H MET 108 H MET 108 -1.269 -11.490 6.696 889 HA MET 108 HA MET 108 0.639 -13.230 8.117 890 1HB MET 108 1HB MET 108 1.087 -11.977 5.942 891 2HB MET 108 2HB MET 108 1.158 -10.501 6.905 892 1HG MET 108 1HG MET 108 3.381 -11.037 7.097 893 2HG MET 108 2HG MET 108 2.801 -12.100 8.372 894 1HE MET 108 1HE MET 108 5.307 -11.963 6.524 895 2HE MET 108 2HE MET 108 5.660 -13.540 5.823 896 3HE MET 108 3HE MET 108 5.426 -13.390 7.563 897 H MET 109 H MET 109 -0.934 -10.062 8.689 898 HA MET 109 HA MET 109 0.660 -9.154 10.876 899 1HB MET 109 1HB MET 109 -1.149 -7.833 9.810 900 2HB MET 109 2HB MET 109 -2.356 -8.956 10.435 901 1HG MET 109 1HG MET 109 -0.484 -7.735 12.413 902 2HG MET 109 2HG MET 109 -1.719 -6.683 11.721 903 1HE MET 109 1HE MET 109 -3.543 -6.198 13.010 904 2HE MET 109 2HE MET 109 -4.779 -7.355 13.495 905 3HE MET 109 3HE MET 109 -4.335 -7.211 11.796 906 H SER 110 H SER 110 -2.047 -11.568 10.794 907 HA SER 110 HA SER 110 -2.185 -11.940 13.665 908 1HB SER 110 1HB SER 110 -2.654 -13.932 11.410 909 2HB SER 110 2HB SER 110 -3.220 -14.122 13.065 910 HG SER 110 HG SER 110 -4.901 -13.201 12.042 911 H VAL 111 H VAL 111 0.059 -13.258 11.210 912 HA VAL 111 HA VAL 111 1.284 -15.142 13.100 913 HB VAL 111 HB VAL 111 2.258 -14.069 10.428 914 1HG1 VAL 111 1HG1 VAL 111 3.465 -16.332 10.444 915 2HG1 VAL 111 2HG1 VAL 111 3.091 -16.400 12.167 916 3HG1 VAL 111 3HG1 VAL 111 4.102 -15.101 11.534 917 1HG2 VAL 111 1HG2 VAL 111 0.378 -16.273 11.226 918 2HG2 VAL 111 2HG2 VAL 111 1.374 -16.469 9.784 919 3HG2 VAL 111 3HG2 VAL 111 0.241 -15.122 9.897 920 H HIS 112 H HIS 112 1.561 -11.697 12.765 921 HA HIS 112 HA HIS 112 4.381 -11.635 13.594 922 1HB HIS 112 1HB HIS 112 4.281 -9.518 12.751 923 2HB HIS 112 2HB HIS 112 2.729 -10.006 12.091 924 HD1 HIS 112 HD1 HIS 112 0.649 -9.571 13.960 925 HD2 HIS 112 HD2 HIS 112 4.088 -7.311 14.258 926 HE1 HIS 112 HE1 HIS 112 0.055 -7.595 15.405 927 H ARG 113 H ARG 113 1.149 -11.523 15.083 928 HA ARG 113 HA ARG 113 2.313 -10.583 17.662 929 1HB ARG 113 1HB ARG 113 -0.158 -10.310 16.319 930 2HB ARG 113 2HB ARG 113 -0.500 -11.348 17.703 931 1HG ARG 113 1HG ARG 113 0.454 -9.716 19.232 932 2HG ARG 113 2HG ARG 113 0.977 -8.706 17.884 933 1HD ARG 113 1HD ARG 113 -1.060 -7.707 18.634 934 2HD ARG 113 2HD ARG 113 -1.533 -8.655 17.210 935 HE ARG 113 HE ARG 113 -2.592 -10.231 18.649 936 1HH1 ARG 113 1HH1 ARG 113 -3.438 -7.992 20.347 937 2HH1 ARG 113 2HH1 ARG 113 -2.822 -8.422 21.908 938 1HH2 ARG 113 1HH2 ARG 113 -0.598 -10.779 20.675 939 2HH2 ARG 113 2HH2 ARG 113 -1.215 -10.000 22.094 940 H GLY 114 H GLY 114 0.828 -13.526 16.215 941 1HA GLY 114 1HA GLY 114 0.567 -15.047 18.596 942 2HA GLY 114 2HA GLY 114 0.802 -15.732 16.990 943 H GLU 115 H GLU 115 3.418 -14.549 16.473 944 HA GLU 115 HA GLU 115 5.033 -16.323 18.251 945 1HB GLU 115 1HB GLU 115 4.975 -16.027 15.561 946 2HB GLU 115 2HB GLU 115 6.236 -14.856 15.953 947 1HG GLU 115 1HG GLU 115 7.209 -16.772 17.439 948 2HG GLU 115 2HG GLU 115 6.201 -17.824 16.445 949 H VAL 116 H VAL 116 4.903 -12.888 17.166 950 HA VAL 116 HA VAL 116 6.886 -12.245 19.326 951 HB VAL 116 HB VAL 116 6.156 -10.794 16.755 952 1HG1 VAL 116 1HG1 VAL 116 8.112 -10.204 18.981 953 2HG1 VAL 116 2HG1 VAL 116 6.895 -9.136 18.284 954 3HG1 VAL 116 3HG1 VAL 116 8.336 -9.552 17.357 955 1HG2 VAL 116 1HG2 VAL 116 7.412 -12.955 16.482 956 2HG2 VAL 116 2HG2 VAL 116 8.688 -12.290 17.503 957 3HG2 VAL 116 3HG2 VAL 116 8.325 -11.545 15.946 958 HA PRO 117 HA PRO 117 2.801 -10.376 20.514 959 1HB PRO 117 1HB PRO 117 2.912 -11.063 23.160 960 2HB PRO 117 2HB PRO 117 2.247 -12.135 21.912 961 1HG PRO 117 1HG PRO 117 4.912 -12.191 23.231 962 2HG PRO 117 2HG PRO 117 3.866 -13.532 22.741 963 1HD PRO 117 1HD PRO 117 6.058 -12.723 21.325 964 2HD PRO 117 2HD PRO 117 4.656 -13.535 20.596 965 H CYS 118 H CYS 118 5.864 -10.406 22.431 966 HA CYS 118 HA CYS 118 5.472 -7.463 22.890 967 1HB CYS 118 1HB CYS 118 6.439 -9.740 24.603 968 2HB CYS 118 2HB CYS 118 6.989 -8.100 24.943 969 HG CYS 118 HG CYS 118 4.674 -8.720 26.210 970 H THR 119 H THR 119 7.403 -6.141 22.663 971 HA THR 119 HA THR 119 9.770 -7.564 21.483 972 HB THR 119 HB THR 119 8.704 -4.827 20.732 973 HG1 THR 119 HG1 THR 119 7.132 -6.149 20.055 974 1HG2 THR 119 1HG2 THR 119 10.278 -6.556 18.894 975 2HG2 THR 119 2HG2 THR 119 11.146 -5.856 20.261 976 3HG2 THR 119 3HG2 THR 119 10.322 -4.806 19.107 977 H VAL 120 H VAL 120 10.661 -7.444 23.775 978 HA VAL 120 HA VAL 120 11.911 -4.775 24.245 979 HB VAL 120 HB VAL 120 11.280 -4.977 26.648 980 1HG1 VAL 120 1HG1 VAL 120 8.938 -4.391 26.365 981 2HG1 VAL 120 2HG1 VAL 120 8.887 -5.206 24.801 982 3HG1 VAL 120 3HG1 VAL 120 9.850 -3.742 25.002 983 1HG2 VAL 120 1HG2 VAL 120 9.828 -6.699 27.430 984 2HG2 VAL 120 2HG2 VAL 120 11.053 -7.536 26.476 985 3HG2 VAL 120 3HG2 VAL 120 9.455 -7.234 25.792 986 1H GLN 1 1H GLN 1 17.354 -9.080 -23.377 987 2H GLN 1 2H GLN 1 18.712 -8.217 -23.920 988 3H GLN 1 3H GLN 1 17.150 -7.609 -24.196 989 HA GLN 1 HA GLN 1 18.318 -7.990 -21.487 990 1HB GLN 1 1HB GLN 1 18.433 -5.828 -23.551 991 2HB GLN 1 2HB GLN 1 18.289 -5.342 -21.861 992 1HG GLN 1 1HG GLN 1 20.293 -6.541 -21.266 993 2HG GLN 1 2HG GLN 1 20.379 -7.293 -22.859 994 1HE2 GLN 1 1HE2 GLN 1 21.679 -4.741 -21.057 995 2HE2 GLN 1 2HE2 GLN 1 22.167 -3.750 -22.345 996 H LYS 2 H LYS 2 16.135 -8.818 -20.850 997 HA LYS 2 HA LYS 2 14.152 -6.591 -20.605 998 1HB LYS 2 1HB LYS 2 13.933 -8.518 -22.497 999 2HB LYS 2 2HB LYS 2 13.144 -9.337 -21.149 1000 1HG LYS 2 1HG LYS 2 11.436 -7.764 -21.010 1001 2HG LYS 2 2HG LYS 2 12.409 -6.493 -21.752 1002 1HD LYS 2 1HD LYS 2 12.358 -8.099 -23.847 1003 2HD LYS 2 2HD LYS 2 10.915 -8.740 -23.060 1004 1HE LYS 2 1HE LYS 2 9.935 -7.029 -24.287 1005 2HE LYS 2 2HE LYS 2 10.370 -6.107 -22.835 1006 1HZ LYS 2 1HZ LYS 2 12.458 -5.512 -23.830 1007 2HZ LYS 2 2HZ LYS 2 11.211 -5.081 -24.901 1008 3HZ LYS 2 3HZ LYS 2 12.142 -6.472 -25.193 1009 H THR 3 H THR 3 12.662 -6.914 -18.747 1010 HA THR 3 HA THR 3 13.433 -9.119 -16.881 1011 HB THR 3 HB THR 3 14.742 -7.074 -16.392 1012 HG1 THR 3 HG1 THR 3 12.700 -7.538 -14.456 1013 1HG2 THR 3 1HG2 THR 3 13.775 -5.084 -16.798 1014 2HG2 THR 3 2HG2 THR 3 12.851 -5.308 -15.314 1015 3HG2 THR 3 3HG2 THR 3 12.169 -5.808 -16.862 1016 H GLY 4 H GLY 4 11.713 -9.530 -15.224 1017 1HA GLY 4 1HA GLY 4 9.054 -8.460 -16.091 1018 2HA GLY 4 2HA GLY 4 9.286 -10.108 -15.505 1019 H THR 5 H THR 5 8.940 -10.453 -13.316 1020 HA THR 5 HA THR 5 8.856 -8.020 -11.557 1021 HB THR 5 HB THR 5 7.177 -9.411 -10.283 1022 HG1 THR 5 HG1 THR 5 7.732 -11.446 -10.930 1023 1HG2 THR 5 1HG2 THR 5 6.824 -8.528 -13.117 1024 2HG2 THR 5 2HG2 THR 5 6.088 -7.894 -11.646 1025 3HG2 THR 5 3HG2 THR 5 5.502 -9.404 -12.346 1026 H ALA 6 H ALA 6 9.937 -8.173 -9.510 1027 HA ALA 6 HA ALA 6 11.221 -10.776 -8.817 1028 1HB ALA 6 1HB ALA 6 12.537 -8.857 -10.247 1029 2HB ALA 6 2HB ALA 6 13.343 -9.978 -9.151 1030 3HB ALA 6 3HB ALA 6 12.923 -8.356 -8.601 1031 H GLU 7 H GLU 7 8.993 -9.391 -7.501 1032 HA GLU 7 HA GLU 7 8.346 -8.693 -5.341 1033 1HB GLU 7 1HB GLU 7 10.182 -10.687 -5.098 1034 2HB GLU 7 2HB GLU 7 11.009 -9.397 -4.222 1035 1HG GLU 7 1HG GLU 7 9.738 -10.247 -2.496 1036 2HG GLU 7 2HG GLU 7 8.579 -9.089 -3.149 1037 H VAL 8 H VAL 8 9.153 -6.586 -6.905 1038 HA VAL 8 HA VAL 8 11.372 -5.026 -5.978 1039 HB VAL 8 HB VAL 8 8.676 -4.113 -7.055 1040 1HG1 VAL 8 1HG1 VAL 8 10.136 -2.357 -5.927 1041 2HG1 VAL 8 2HG1 VAL 8 9.756 -2.043 -7.621 1042 3HG1 VAL 8 3HG1 VAL 8 11.340 -2.678 -7.175 1043 1HG2 VAL 8 1HG2 VAL 8 11.144 -5.255 -8.269 1044 2HG2 VAL 8 2HG2 VAL 8 10.399 -3.903 -9.123 1045 3HG2 VAL 8 3HG2 VAL 8 9.469 -5.369 -8.811 1046 H SER 9 H SER 9 7.966 -5.116 -4.812 1047 HA SER 9 HA SER 9 8.140 -3.038 -2.857 1048 1HB SER 9 1HB SER 9 6.138 -4.531 -3.620 1049 2HB SER 9 2HB SER 9 6.686 -5.648 -2.374 1050 HG SER 9 HG SER 9 6.283 -4.140 -0.841 1051 H SER 10 H SER 10 9.160 -6.474 -2.673 1052 HA SER 10 HA SER 10 9.927 -6.379 0.140 1053 1HB SER 10 1HB SER 10 10.421 -8.166 -2.228 1054 2HB SER 10 2HB SER 10 11.425 -8.380 -0.796 1055 HG SER 10 HG SER 10 9.695 -9.630 -0.399 1056 H ILE 11 H ILE 11 11.725 -5.937 -2.943 1057 HA ILE 11 HA ILE 11 14.311 -5.506 -1.710 1058 HB ILE 11 HB ILE 11 13.162 -4.508 -4.350 1059 1HG1 ILE 11 1HG1 ILE 11 15.052 -6.802 -4.198 1060 2HG1 ILE 11 2HG1 ILE 11 13.421 -7.098 -3.597 1061 1HG2 ILE 11 1HG2 ILE 11 15.676 -4.636 -4.967 1062 2HG2 ILE 11 2HG2 ILE 11 15.961 -4.607 -3.227 1063 3HG2 ILE 11 3HG2 ILE 11 15.138 -3.257 -4.008 1064 1HD1 ILE 11 1HD1 ILE 11 13.757 -5.692 -6.223 1065 2HD1 ILE 11 2HD1 ILE 11 12.440 -6.728 -5.671 1066 3HD1 ILE 11 3HD1 ILE 11 13.978 -7.439 -6.160 1067 H LEU 12 H LEU 12 11.640 -3.271 -2.604 1068 HA LEU 12 HA LEU 12 13.005 -0.813 -2.022 1069 1HB LEU 12 1HB LEU 12 10.140 -1.733 -2.076 1070 2HB LEU 12 2HB LEU 12 10.509 -0.120 -1.463 1071 HG LEU 12 HG LEU 12 11.735 -0.982 -4.056 1072 1HD1 LEU 12 1HD1 LEU 12 8.983 0.252 -3.934 1073 2HD1 LEU 12 2HD1 LEU 12 9.205 -1.495 -4.020 1074 3HD1 LEU 12 3HD1 LEU 12 9.800 -0.465 -5.322 1075 1HD2 LEU 12 1HD2 LEU 12 11.214 1.515 -4.470 1076 2HD2 LEU 12 2HD2 LEU 12 12.456 1.140 -3.277 1077 3HD2 LEU 12 3HD2 LEU 12 10.835 1.589 -2.750 1078 H GLU 13 H GLU 13 11.232 -3.081 0.136 1079 HA GLU 13 HA GLU 13 11.219 -1.446 2.491 1080 1HB GLU 13 1HB GLU 13 10.018 -3.629 2.171 1081 2HB GLU 13 2HB GLU 13 11.567 -4.462 2.310 1082 1HG GLU 13 1HG GLU 13 10.914 -2.532 4.475 1083 2HG GLU 13 2HG GLU 13 9.955 -4.012 4.433 1084 H GLU 14 H GLU 14 13.760 -3.646 1.217 1085 HA GLU 14 HA GLU 14 15.547 -3.362 3.482 1086 1HB GLU 14 1HB GLU 14 15.501 -4.972 1.346 1087 2HB GLU 14 2HB GLU 14 16.599 -3.751 0.701 1088 1HG GLU 14 1HG GLU 14 17.996 -3.995 2.769 1089 2HG GLU 14 2HG GLU 14 16.951 -5.328 3.265 1090 H ARG 15 H ARG 15 15.185 -1.491 0.437 1091 HA ARG 15 HA ARG 15 17.512 0.179 0.810 1092 1HB ARG 15 1HB ARG 15 14.904 0.480 -0.697 1093 2HB ARG 15 2HB ARG 15 16.140 1.739 -0.734 1094 1HG ARG 15 1HG ARG 15 16.863 -1.122 -1.332 1095 2HG ARG 15 2HG ARG 15 16.182 -0.090 -2.589 1096 1HD ARG 15 1HD ARG 15 18.044 1.302 -2.645 1097 2HD ARG 15 2HD ARG 15 18.471 0.967 -0.956 1098 HE ARG 15 HE ARG 15 19.480 -1.098 -1.650 1099 1HH1 ARG 15 1HH2 ARG 15 20.410 0.632 -3.940 1100 2HH1 ARG 15 2HH2 ARG 15 19.992 -0.344 -5.310 1101 1HH2 ARG 15 1HH1 ARG 15 17.841 -2.396 -3.525 1102 2HH2 ARG 15 2HH1 ARG 15 18.539 -2.058 -5.075 1103 H ILE 16 H ILE 16 14.138 0.496 2.002 1104 HA ILE 16 HA ILE 16 14.711 3.169 3.124 1105 HB ILE 16 HB ILE 16 12.379 3.088 3.868 1106 1HG1 ILE 16 1HG1 ILE 16 12.140 0.293 2.750 1107 2HG1 ILE 16 2HG1 ILE 16 12.547 0.554 4.444 1108 1HG2 ILE 16 1HG2 ILE 16 13.037 3.445 1.412 1109 2HG2 ILE 16 2HG2 ILE 16 11.355 3.021 1.730 1110 3HG2 ILE 16 3HG2 ILE 16 12.476 1.795 1.142 1111 1HD1 ILE 16 1HD1 ILE 16 10.048 1.412 2.981 1112 2HD1 ILE 16 2HD1 ILE 16 10.501 2.091 4.544 1113 3HD1 ILE 16 3HD1 ILE 16 10.175 0.364 4.394 1114 H LEU 17 H LEU 17 14.616 -0.184 4.349 1115 HA LEU 17 HA LEU 17 15.163 0.888 7.097 1116 1HB LEU 17 1HB LEU 17 13.205 -0.771 6.337 1117 2HB LEU 17 2HB LEU 17 14.480 -1.972 6.544 1118 HG LEU 17 HG LEU 17 14.843 -0.559 8.813 1119 1HD1 LEU 17 1HD1 LEU 17 12.965 0.489 9.615 1120 2HD1 LEU 17 2HD1 LEU 17 11.867 -0.598 8.765 1121 3HD1 LEU 17 3HD1 LEU 17 12.655 0.717 7.894 1122 1HD2 LEU 17 1HD2 LEU 17 14.569 -2.807 9.202 1123 2HD2 LEU 17 2HD2 LEU 17 13.216 -2.941 8.079 1124 3HD2 LEU 17 3HD2 LEU 17 12.958 -2.287 9.696 1125 H GLY 18 H GLY 18 17.501 1.191 6.653 1126 1HA GLY 18 1HA GLY 18 18.973 -1.399 6.710 1127 2HA GLY 18 2HA GLY 18 19.459 -0.165 5.546 1128 H ALA 19 H ALA 19 19.638 2.165 6.763 1129 HA ALA 19 HA ALA 19 21.078 1.720 9.358 1130 1HB ALA 19 1HB ALA 19 22.865 1.961 7.900 1131 2HB ALA 19 2HB ALA 19 22.550 3.660 8.251 1132 3HB ALA 19 3HB ALA 19 21.937 2.939 6.764 1133 H ASP 20 H ASP 20 20.728 3.388 10.909 1134 HA ASP 20 HA ASP 20 19.249 5.823 10.005 1135 1HB ASP 20 1HB ASP 20 17.983 3.649 11.047 1136 2HB ASP 20 2HB ASP 20 18.358 4.532 12.526 1137 H THR 21 H THR 21 20.443 4.270 13.061 1138 HA THR 21 HA THR 21 21.963 6.796 13.609 1139 HB THR 21 HB THR 21 21.200 6.499 15.987 1140 HG1 THR 21 HG1 THR 21 19.655 4.989 16.413 1141 1HG2 THR 21 1HG2 THR 21 18.745 6.581 14.267 1142 2HG2 THR 21 2HG2 THR 21 19.974 7.830 14.072 1143 3HG2 THR 21 3HG2 THR 21 19.184 7.606 15.633 1144 H SER 22 H SER 22 23.980 6.450 14.743 1145 HA SER 22 HA SER 22 24.673 3.632 15.444 1146 1HB SER 22 1HB SER 22 25.803 5.392 13.309 1147 2HB SER 22 2HB SER 22 26.925 4.355 14.187 1148 HG SER 22 HG SER 22 25.981 3.355 12.320 1149 H VAL 23 H VAL 23 25.712 3.637 17.449 1150 HA VAL 23 HA VAL 23 27.346 6.030 18.182 1151 HB VAL 23 HB VAL 23 26.226 5.991 20.412 1152 1HG1 VAL 23 1HG1 VAL 23 25.421 7.419 18.488 1153 2HG1 VAL 23 2HG1 VAL 23 24.184 7.049 19.691 1154 3HG1 VAL 23 3HG1 VAL 23 24.212 6.177 18.157 1155 1HG2 VAL 23 1HG2 VAL 23 23.999 4.321 19.365 1156 2HG2 VAL 23 2HG2 VAL 23 24.646 4.436 21.002 1157 3HG2 VAL 23 3HG2 VAL 23 25.473 3.454 19.793 1158 H ASP 24 H ASP 24 28.804 3.945 17.409 1159 HA ASP 24 HA ASP 24 29.501 2.460 19.925 1160 1HB ASP 24 1HB ASP 24 28.350 1.294 17.864 1161 2HB ASP 24 2HB ASP 24 29.960 1.391 17.151 1162 H LEU 25 H LEU 25 31.765 2.337 20.390 1163 HA LEU 25 HA LEU 25 33.552 3.837 18.497 1164 1HB LEU 25 1HB LEU 25 33.084 3.880 21.435 1165 2HB LEU 25 2HB LEU 25 34.760 4.049 20.912 1166 HG LEU 25 HG LEU 25 32.506 5.707 19.760 1167 1HD1 LEU 25 1HD1 LEU 25 34.495 6.731 21.770 1168 2HD1 LEU 25 2HD1 LEU 25 33.020 5.935 22.320 1169 3HD1 LEU 25 3HD1 LEU 25 32.920 7.393 21.331 1170 1HD2 LEU 25 1HD2 LEU 25 34.162 6.870 18.637 1171 2HD2 LEU 25 2HD2 LEU 25 34.922 5.280 18.702 1172 3HD2 LEU 25 3HD2 LEU 25 35.381 6.524 19.865 Start of MODEL 29 1 1H PHE 1 1H PHE 1 -1.012 -11.764 -16.648 2 2H PHE 1 2H PHE 1 -0.634 -11.351 -15.045 3 3H PHE 1 3H PHE 1 -1.685 -10.372 -15.952 4 HA PHE 1 HA PHE 1 -2.843 -11.826 -14.303 5 1HB PHE 1 1HB PHE 1 -3.824 -10.809 -16.365 6 2HB PHE 1 2HB PHE 1 -3.376 -12.259 -17.262 7 HD1 PHE 1 HD1 PHE 1 -4.996 -11.507 -13.953 8 HD2 PHE 1 HD2 PHE 1 -5.132 -13.737 -17.621 9 HE1 PHE 1 HE1 PHE 1 -7.081 -12.618 -13.200 10 HE2 PHE 1 HE2 PHE 1 -7.217 -14.848 -16.868 11 HZ PHE 1 HZ PHE 1 -8.192 -14.289 -14.658 12 H ALA 2 H ALA 2 -3.226 -13.992 -13.596 13 HA ALA 2 HA ALA 2 -1.935 -16.181 -15.183 14 1HB ALA 2 1HB ALA 2 -1.784 -16.110 -12.186 15 2HB ALA 2 2HB ALA 2 -0.681 -15.094 -13.114 16 3HB ALA 2 3HB ALA 2 -0.670 -16.843 -13.339 17 H LYS 3 H LYS 3 -2.561 -18.321 -13.497 18 HA LYS 3 HA LYS 3 -5.516 -18.107 -13.041 19 1HB LYS 3 1HB LYS 3 -4.500 -19.181 -15.272 20 2HB LYS 3 2HB LYS 3 -4.323 -20.586 -14.218 21 1HG LYS 3 1HG LYS 3 -6.595 -20.869 -13.980 22 2HG LYS 3 2HG LYS 3 -6.933 -19.144 -14.138 23 1HD LYS 3 1HD LYS 3 -5.813 -20.530 -16.528 24 2HD LYS 3 2HD LYS 3 -7.489 -20.882 -16.105 25 1HE LYS 3 1HE LYS 3 -6.713 -18.008 -16.048 26 2HE LYS 3 2HE LYS 3 -6.819 -18.769 -17.648 27 1HZ LYS 3 1HZ LYS 3 -8.898 -18.939 -15.530 28 2HZ LYS 3 2HZ LYS 3 -8.990 -19.630 -17.079 29 3HZ LYS 3 3HZ LYS 3 -8.985 -17.941 -16.898 30 H LEU 4 H LEU 4 -5.603 -18.435 -10.787 31 HA LEU 4 HA LEU 4 -3.991 -20.718 -9.685 32 1HB LEU 4 1HB LEU 4 -4.969 -18.110 -8.480 33 2HB LEU 4 2HB LEU 4 -4.173 -19.382 -7.551 34 HG LEU 4 HG LEU 4 -2.369 -19.162 -9.509 35 1HD1 LEU 4 1HD1 LEU 4 -3.870 -16.546 -9.455 36 2HD1 LEU 4 2HD1 LEU 4 -3.360 -17.491 -10.853 37 3HD1 LEU 4 3HD1 LEU 4 -2.166 -16.608 -9.903 38 1HD2 LEU 4 1HD2 LEU 4 -1.933 -18.866 -7.102 39 2HD2 LEU 4 2HD2 LEU 4 -2.623 -17.244 -7.170 40 3HD2 LEU 4 3HD2 LEU 4 -1.128 -17.603 -8.035 41 H VAL 5 H VAL 5 -5.131 -22.272 -8.413 42 HA VAL 5 HA VAL 5 -8.057 -21.776 -7.987 43 HB VAL 5 HB VAL 5 -6.702 -24.265 -9.087 44 1HG1 VAL 5 1HG1 VAL 5 -9.451 -23.679 -8.086 45 2HG1 VAL 5 2HG1 VAL 5 -8.538 -25.187 -8.043 46 3HG1 VAL 5 3HG1 VAL 5 -9.317 -24.670 -9.539 47 1HG2 VAL 5 1HG2 VAL 5 -6.778 -22.755 -10.884 48 2HG2 VAL 5 2HG2 VAL 5 -8.274 -22.012 -10.320 49 3HG2 VAL 5 3HG2 VAL 5 -8.309 -23.615 -11.052 50 H ARG 6 H ARG 6 -7.028 -21.300 -5.722 51 HA ARG 6 HA ARG 6 -6.952 -23.860 -4.183 52 1HB ARG 6 1HB ARG 6 -4.848 -21.775 -4.537 53 2HB ARG 6 2HB ARG 6 -5.039 -22.442 -2.915 54 1HG ARG 6 1HG ARG 6 -4.924 -24.749 -3.960 55 2HG ARG 6 2HG ARG 6 -4.462 -23.961 -5.470 56 1HD ARG 6 1HD ARG 6 -2.530 -22.899 -4.292 57 2HD ARG 6 2HD ARG 6 -2.962 -23.812 -2.831 58 HE ARG 6 HE ARG 6 -2.068 -25.034 -5.403 59 1HH1 ARG 6 1HH1 ARG 6 -0.789 -25.087 -2.538 60 2HH1 ARG 6 2HH1 ARG 6 -1.102 -26.737 -2.115 61 1HH2 ARG 6 1HH2 ARG 6 -3.396 -27.233 -4.667 62 2HH2 ARG 6 2HH2 ARG 6 -2.578 -27.952 -3.321 63 HA PRO 7 HA PRO 7 -9.548 -21.502 -1.498 64 1HB PRO 7 1HB PRO 7 -9.155 -22.801 0.879 65 2HB PRO 7 2HB PRO 7 -10.119 -23.482 -0.448 66 1HG PRO 7 1HG PRO 7 -7.321 -24.087 0.364 67 2HG PRO 7 2HG PRO 7 -8.588 -25.175 -0.224 68 1HD PRO 7 1HD PRO 7 -6.538 -24.261 -1.778 69 2HD PRO 7 2HD PRO 7 -8.124 -24.740 -2.420 70 HA PRO 8 HA PRO 8 -6.616 -18.660 0.302 71 1HB PRO 8 1HB PRO 8 -8.372 -16.940 1.499 72 2HB PRO 8 2HB PRO 8 -8.080 -16.956 -0.251 73 1HG PRO 8 1HG PRO 8 -10.342 -18.096 1.299 74 2HG PRO 8 2HG PRO 8 -10.338 -17.317 -0.289 75 1HD PRO 8 1HD PRO 8 -10.466 -20.029 0.095 76 2HD PRO 8 2HD PRO 8 -9.844 -19.257 -1.379 77 H VAL 9 H VAL 9 -5.509 -19.624 2.059 78 HA VAL 9 HA VAL 9 -7.061 -19.982 4.603 79 HB VAL 9 HB VAL 9 -4.573 -21.366 3.537 80 1HG1 VAL 9 1HG1 VAL 9 -4.634 -21.185 6.020 81 2HG1 VAL 9 2HG1 VAL 9 -4.812 -22.853 5.472 82 3HG1 VAL 9 3HG1 VAL 9 -6.225 -21.948 6.016 83 1HG2 VAL 9 1HG2 VAL 9 -7.099 -21.774 2.672 84 2HG2 VAL 9 2HG2 VAL 9 -7.115 -22.817 4.093 85 3HG2 VAL 9 3HG2 VAL 9 -5.926 -23.082 2.819 86 H GLN 10 H GLN 10 -3.646 -19.403 3.537 87 HA GLN 10 HA GLN 10 -3.344 -17.570 5.896 88 1HB GLN 10 1HB GLN 10 -1.885 -19.583 5.779 89 2HB GLN 10 2HB GLN 10 -1.290 -19.045 4.208 90 1HG GLN 10 1HG GLN 10 -0.578 -16.885 5.349 91 2HG GLN 10 2HG GLN 10 -0.925 -17.681 6.884 92 1HE2 GLN 10 1HE2 GLN 10 0.925 -18.650 7.796 93 2HE2 GLN 10 2HE2 GLN 10 2.216 -19.288 6.897 94 H ILE 11 H ILE 11 -2.149 -17.929 2.494 95 HA ILE 11 HA ILE 11 -2.570 -14.998 2.150 96 HB ILE 11 HB ILE 11 -0.261 -15.453 2.866 97 1HG1 ILE 11 1HG1 ILE 11 0.699 -14.647 0.419 98 2HG1 ILE 11 2HG1 ILE 11 -1.020 -14.271 0.269 99 1HG2 ILE 11 1HG2 ILE 11 1.243 -16.719 1.347 100 2HG2 ILE 11 2HG2 ILE 11 -0.147 -17.128 0.341 101 3HG2 ILE 11 3HG2 ILE 11 -0.048 -17.734 1.994 102 1HD1 ILE 11 1HD1 ILE 11 1.024 -13.098 2.089 103 2HD1 ILE 11 2HD1 ILE 11 -0.595 -13.321 2.755 104 3HD1 ILE 11 3HD1 ILE 11 -0.362 -12.334 1.311 105 H TYR 12 H TYR 12 -3.166 -14.434 -0.008 106 HA TYR 12 HA TYR 12 -3.176 -16.566 -2.087 107 1HB TYR 12 1HB TYR 12 -5.794 -15.748 -2.202 108 2HB TYR 12 2HB TYR 12 -5.267 -17.168 -1.306 109 HD1 TYR 12 HD1 TYR 12 -6.617 -13.774 -1.050 110 HD2 TYR 12 HD2 TYR 12 -4.828 -16.999 1.157 111 HE1 TYR 12 HE1 TYR 12 -7.313 -12.717 1.085 112 HE2 TYR 12 HE2 TYR 12 -5.486 -15.937 3.274 113 HH TYR 12 HH TYR 12 -7.537 -14.208 3.893 114 H GLY 13 H GLY 13 -1.744 -14.935 -3.194 115 1HA GLY 13 1HA GLY 13 -2.444 -13.553 -5.267 116 2HA GLY 13 2HA GLY 13 -3.228 -12.504 -4.088 117 H ILE 14 H ILE 14 -0.368 -12.978 -5.820 118 HA ILE 14 HA ILE 14 1.741 -12.255 -4.087 119 HB ILE 14 HB ILE 14 1.713 -12.819 -6.603 120 1HG1 ILE 14 1HG1 ILE 14 3.766 -12.269 -5.331 121 2HG1 ILE 14 2HG1 ILE 14 3.851 -11.703 -6.995 122 1HG2 ILE 14 1HG2 ILE 14 0.178 -10.951 -7.243 123 2HG2 ILE 14 2HG2 ILE 14 1.668 -10.992 -8.185 124 3HG2 ILE 14 3HG2 ILE 14 1.478 -9.814 -6.886 125 1HD1 ILE 14 1HD1 ILE 14 2.797 -9.500 -5.803 126 2HD1 ILE 14 2HD1 ILE 14 4.529 -9.759 -5.998 127 3HD1 ILE 14 3HD1 ILE 14 3.747 -10.151 -4.468 128 H GLU 15 H GLU 15 -0.832 -10.135 -5.367 129 HA GLU 15 HA GLU 15 0.261 -7.575 -4.797 130 1HB GLU 15 1HB GLU 15 -2.437 -8.783 -5.041 131 2HB GLU 15 2HB GLU 15 -2.385 -7.303 -4.091 132 1HG GLU 15 1HG GLU 15 -2.692 -6.497 -6.272 133 2HG GLU 15 2HG GLU 15 -0.947 -6.370 -6.054 134 H GLY 16 H GLY 16 -1.253 -9.923 -2.540 135 1HA GLY 16 1HA GLY 16 -1.336 -8.192 -0.261 136 2HA GLY 16 2HA GLY 16 -1.254 -9.955 -0.188 137 H ARG 17 H ARG 17 1.292 -10.213 -1.624 138 HA ARG 17 HA ARG 17 3.154 -10.018 0.528 139 1HB ARG 17 1HB ARG 17 3.585 -10.053 -2.481 140 2HB ARG 17 2HB ARG 17 4.867 -10.311 -1.297 141 1HG ARG 17 1HG ARG 17 2.411 -11.962 -0.979 142 2HG ARG 17 2HG ARG 17 3.448 -12.344 -2.354 143 1HD ARG 17 1HD ARG 17 5.320 -12.064 -0.378 144 2HD ARG 17 2HD ARG 17 3.953 -12.736 0.534 145 HE ARG 17 HE ARG 17 5.428 -14.109 -1.590 146 1HH1 ARG 17 1HH2 ARG 17 4.198 -15.298 0.947 147 2HH1 ARG 17 2HH2 ARG 17 2.912 -16.246 0.275 148 1HH2 ARG 17 1HH1 ARG 17 3.020 -14.684 -2.818 149 2HH2 ARG 17 2HH1 ARG 17 2.245 -15.898 -1.857 150 H TYR 18 H TYR 18 2.158 -7.513 -1.812 151 HA TYR 18 HA TYR 18 4.415 -5.757 -1.551 152 1HB TYR 18 1HB TYR 18 1.492 -5.464 -2.173 153 2HB TYR 18 2HB TYR 18 2.396 -4.000 -1.818 154 HD1 TYR 18 HD1 TYR 18 2.641 -2.914 -3.862 155 HD2 TYR 18 HD2 TYR 18 3.502 -7.113 -3.601 156 HE1 TYR 18 HE1 TYR 18 3.496 -2.877 -6.182 157 HE2 TYR 18 HE2 TYR 18 4.365 -7.081 -5.925 158 HH TYR 18 HH TYR 18 5.426 -4.964 -7.461 159 H ALA 19 H ALA 19 1.336 -5.803 0.318 160 HA ALA 19 HA ALA 19 2.289 -3.842 2.259 161 1HB ALA 19 1HB ALA 19 0.169 -4.053 3.139 162 2HB ALA 19 2HB ALA 19 0.192 -5.812 3.028 163 3HB ALA 19 3HB ALA 19 -0.142 -4.846 1.593 164 H THR 20 H THR 20 2.302 -7.422 2.099 165 HA THR 20 HA THR 20 3.194 -7.786 4.831 166 HB THR 20 HB THR 20 3.986 -9.817 2.836 167 HG1 THR 20 HG1 THR 20 1.881 -10.284 2.255 168 1HG2 THR 20 1HG2 THR 20 2.219 -10.994 4.492 169 2HG2 THR 20 2HG2 THR 20 2.659 -9.610 5.496 170 3HG2 THR 20 3HG2 THR 20 3.904 -10.730 4.939 171 H ALA 21 H ALA 21 4.938 -7.322 1.728 172 HA ALA 21 HA ALA 21 7.551 -7.792 3.024 173 1HB ALA 21 1HB ALA 21 8.369 -7.690 0.867 174 2HB ALA 21 2HB ALA 21 7.336 -6.327 0.433 175 3HB ALA 21 3HB ALA 21 6.672 -7.960 0.468 176 H LEU 22 H LEU 22 5.354 -5.146 3.032 177 HA LEU 22 HA LEU 22 7.547 -3.131 3.330 178 1HB LEU 22 1HB LEU 22 5.586 -2.640 1.861 179 2HB LEU 22 2HB LEU 22 4.518 -2.850 3.249 180 HG LEU 22 HG LEU 22 6.361 -1.049 4.227 181 1HD1 LEU 22 1HD1 LEU 22 6.199 0.712 2.253 182 2HD1 LEU 22 2HD1 LEU 22 6.121 -0.740 1.256 183 3HD1 LEU 22 3HD1 LEU 22 7.515 -0.462 2.299 184 1HD2 LEU 22 1HD2 LEU 22 3.628 -0.858 3.026 185 2HD2 LEU 22 2HD2 LEU 22 4.468 0.647 3.400 186 3HD2 LEU 22 3HD2 LEU 22 4.154 -0.528 4.677 187 H TYR 23 H TYR 23 4.823 -4.630 5.132 188 HA TYR 23 HA TYR 23 5.453 -3.085 7.520 189 1HB TYR 23 1HB TYR 23 3.402 -3.813 8.113 190 2HB TYR 23 2HB TYR 23 3.315 -4.636 6.567 191 HD1 TYR 23 HD1 TYR 23 4.552 -5.086 10.057 192 HD2 TYR 23 HD2 TYR 23 3.106 -6.934 6.482 193 HE1 TYR 23 HE1 TYR 23 4.490 -7.258 11.221 194 HE2 TYR 23 HE2 TYR 23 3.066 -9.114 7.607 195 HH TYR 23 HH TYR 23 4.440 -10.117 9.757 196 H SER 24 H SER 24 6.908 -5.911 6.035 197 HA SER 24 HA SER 24 7.783 -7.432 8.264 198 1HB SER 24 1HB SER 24 8.398 -8.204 6.101 199 2HB SER 24 2HB SER 24 9.070 -6.643 5.640 200 HG SER 24 HG SER 24 10.850 -7.054 6.800 201 H ALA 25 H ALA 25 8.997 -4.293 7.042 202 HA ALA 25 HA ALA 25 11.083 -4.103 9.122 203 1HB ALA 25 1HB ALA 25 11.002 -1.636 8.224 204 2HB ALA 25 2HB ALA 25 9.927 -2.292 6.991 205 3HB ALA 25 3HB ALA 25 11.576 -2.899 7.136 206 H ALA 26 H ALA 26 7.750 -2.864 8.528 207 HA ALA 26 HA ALA 26 7.559 -1.164 10.840 208 1HB ALA 26 1HB ALA 26 5.271 -1.110 10.330 209 2HB ALA 26 2HB ALA 26 5.226 -2.816 9.885 210 3HB ALA 26 3HB ALA 26 5.941 -1.637 8.788 211 H SER 27 H SER 27 7.141 -4.714 10.474 212 HA SER 27 HA SER 27 5.961 -5.288 13.005 213 1HB SER 27 1HB SER 27 6.533 -6.830 10.988 214 2HB SER 27 2HB SER 27 8.121 -6.990 11.733 215 HG SER 27 HG SER 27 6.887 -8.613 12.564 216 H LYS 28 H LYS 28 9.421 -4.836 12.128 217 HA LYS 28 HA LYS 28 10.498 -5.445 14.744 218 1HB LYS 28 1HB LYS 28 11.730 -5.178 12.504 219 2HB LYS 28 2HB LYS 28 11.614 -3.437 12.759 220 1HG LYS 28 1HG LYS 28 12.999 -3.492 14.654 221 2HG LYS 28 2HG LYS 28 12.728 -5.215 14.917 222 1HD LYS 28 1HD LYS 28 14.801 -5.367 13.945 223 2HD LYS 28 2HD LYS 28 13.838 -5.332 12.468 224 1HE LYS 28 1HE LYS 28 14.416 -3.134 11.978 225 2HE LYS 28 2HE LYS 28 14.679 -2.717 13.683 226 1HZ LYS 28 1HZ LYS 28 16.564 -4.325 13.655 227 2HZ LYS 28 2HZ LYS 28 16.809 -2.957 12.678 228 3HZ LYS 28 3HZ LYS 28 16.386 -4.443 11.972 229 H GLN 29 H GLN 29 9.315 -2.389 13.267 230 HA GLN 29 HA GLN 29 9.887 -0.861 15.733 231 1HB GLN 29 1HB GLN 29 8.558 -0.228 13.085 232 2HB GLN 29 2HB GLN 29 8.705 0.957 14.383 233 1HG GLN 29 1HG GLN 29 11.093 0.882 14.310 234 2HG GLN 29 2HG GLN 29 11.084 -0.555 13.285 235 1HE2 GLN 29 1HE2 GLN 29 10.123 -0.228 11.002 236 2HE2 GLN 29 2HE2 GLN 29 10.293 1.303 10.291 237 H ASN 30 H ASN 30 7.264 -2.883 14.688 238 HA ASN 30 HA ASN 30 5.224 -3.364 15.720 239 1HB ASN 30 1HB ASN 30 6.752 -2.433 17.762 240 2HB ASN 30 2HB ASN 30 5.506 -1.184 17.731 241 1HD2 ASN 30 1HD2 ASN 30 5.976 -3.502 19.723 242 2HD2 ASN 30 2HD2 ASN 30 4.480 -4.302 19.771 243 H LYS 31 H LYS 31 5.411 -1.579 13.498 244 HA LYS 31 HA LYS 31 3.385 0.519 14.174 245 1HB LYS 31 1HB LYS 31 5.499 0.176 12.053 246 2HB LYS 31 2HB LYS 31 4.184 1.333 11.834 247 1HG LYS 31 1HG LYS 31 4.781 2.443 13.939 248 2HG LYS 31 2HG LYS 31 6.065 1.266 14.212 249 1HD LYS 31 1HD LYS 31 7.048 1.992 11.981 250 2HD LYS 31 2HD LYS 31 5.892 3.324 12.000 251 1HE LYS 31 1HE LYS 31 6.828 4.191 14.071 252 2HE LYS 31 2HE LYS 31 7.893 2.779 14.222 253 1HZ LYS 31 1HZ LYS 31 8.981 3.345 12.196 254 2HZ LYS 31 2HZ LYS 31 8.966 4.744 13.159 255 3HZ LYS 31 3HZ LYS 31 7.875 4.587 11.867 256 H LEU 32 H LEU 32 3.070 -2.607 13.302 257 HA LEU 32 HA LEU 32 1.831 -2.802 10.782 258 1HB LEU 32 1HB LEU 32 1.479 -4.122 13.442 259 2HB LEU 32 2HB LEU 32 0.284 -4.462 12.189 260 HG LEU 32 HG LEU 32 2.988 -4.514 11.104 261 1HD1 LEU 32 1HD1 LEU 32 4.129 -5.805 12.510 262 2HD1 LEU 32 2HD1 LEU 32 2.777 -6.920 12.704 263 3HD1 LEU 32 3HD1 LEU 32 2.885 -5.481 13.717 264 1HD2 LEU 32 1HD2 LEU 32 1.756 -5.811 9.730 265 2HD2 LEU 32 2HD2 LEU 32 0.463 -5.961 10.921 266 3HD2 LEU 32 3HD2 LEU 32 1.830 -7.070 10.960 267 H GLU 33 H GLU 33 0.496 -1.353 13.774 268 HA GLU 33 HA GLU 33 -2.222 -1.074 12.741 269 1HB GLU 33 1HB GLU 33 -1.068 -0.771 15.180 270 2HB GLU 33 2HB GLU 33 -1.120 0.919 14.678 271 1HG GLU 33 1HG GLU 33 -3.550 0.657 14.174 272 2HG GLU 33 2HG GLU 33 -3.472 -0.991 14.796 273 H GLN 34 H GLN 34 0.664 1.072 12.823 274 HA GLN 34 HA GLN 34 -0.537 3.340 11.514 275 1HB GLN 34 1HB GLN 34 2.287 2.279 11.701 276 2HB GLN 34 2HB GLN 34 1.910 3.793 10.876 277 1HG GLN 34 1HG GLN 34 1.180 3.168 13.755 278 2HG GLN 34 2HG GLN 34 2.563 4.144 13.261 279 1HE2 GLN 34 1HE2 GLN 34 2.149 6.338 12.489 280 2HE2 GLN 34 2HE2 GLN 34 0.600 7.029 12.552 281 H VAL 35 H VAL 35 0.538 0.234 10.201 282 HA VAL 35 HA VAL 35 0.342 1.354 7.440 283 HB VAL 35 HB VAL 35 1.206 -1.467 8.005 284 1HG1 VAL 35 1HG1 VAL 35 2.638 -1.089 6.121 285 2HG1 VAL 35 2HG1 VAL 35 2.392 0.654 6.210 286 3HG1 VAL 35 3HG1 VAL 35 1.066 -0.400 5.718 287 1HG2 VAL 35 1HG2 VAL 35 3.623 -0.327 8.203 288 2HG2 VAL 35 2HG2 VAL 35 2.654 -0.653 9.637 289 3HG2 VAL 35 3HG2 VAL 35 2.686 0.969 8.945 290 H GLU 36 H GLU 36 -0.929 -1.360 9.452 291 HA GLU 36 HA GLU 36 -2.645 -2.472 7.426 292 1HB GLU 36 1HB GLU 36 -1.916 -3.265 9.864 293 2HB GLU 36 2HB GLU 36 -3.439 -2.506 10.317 294 1HG GLU 36 1HG GLU 36 -3.386 -4.372 7.969 295 2HG GLU 36 2HG GLU 36 -3.394 -5.045 9.600 296 H LYS 37 H LYS 37 -3.186 0.202 9.758 297 HA LYS 37 HA LYS 37 -6.045 0.376 9.064 298 1HB LYS 37 1HB LYS 37 -4.927 0.950 11.308 299 2HB LYS 37 2HB LYS 37 -4.375 2.433 10.530 300 1HG LYS 37 1HG LYS 37 -7.257 1.772 10.216 301 2HG LYS 37 2HG LYS 37 -6.736 2.267 11.827 302 1HD LYS 37 1HD LYS 37 -6.176 4.398 11.144 303 2HD LYS 37 2HD LYS 37 -5.767 3.879 9.508 304 1HE LYS 37 1HE LYS 37 -7.818 5.136 9.328 305 2HE LYS 37 2HE LYS 37 -8.278 3.427 9.184 306 1HZ LYS 37 1HZ LYS 37 -8.277 5.014 11.698 307 2HZ LYS 37 2HZ LYS 37 -8.692 3.373 11.565 308 3HZ LYS 37 3HZ LYS 37 -9.657 4.560 10.825 309 H GLU 38 H GLU 38 -3.083 2.277 8.243 310 HA GLU 38 HA GLU 38 -4.620 4.237 6.715 311 1HB GLU 38 1HB GLU 38 -1.708 3.462 6.919 312 2HB GLU 38 2HB GLU 38 -2.248 4.674 5.768 313 1HG GLU 38 1HG GLU 38 -2.662 4.768 8.772 314 2HG GLU 38 2HG GLU 38 -1.517 5.744 7.856 315 H LEU 39 H LEU 39 -2.923 1.181 5.901 316 HA LEU 39 HA LEU 39 -3.097 1.335 3.052 317 1HB LEU 39 1HB LEU 39 -2.966 -0.828 5.110 318 2HB LEU 39 2HB LEU 39 -3.484 -1.307 3.495 319 HG LEU 39 HG LEU 39 -0.985 0.310 4.040 320 1HD1 LEU 39 1HD1 LEU 39 0.164 -1.889 3.466 321 2HD1 LEU 39 2HD1 LEU 39 -1.401 -2.669 3.690 322 3HD1 LEU 39 3HD1 LEU 39 -0.626 -1.841 5.041 323 1HD2 LEU 39 1HD2 LEU 39 -0.708 0.355 1.781 324 2HD2 LEU 39 2HD2 LEU 39 -2.428 -0.016 1.707 325 3HD2 LEU 39 3HD2 LEU 39 -1.242 -1.314 1.591 326 H LEU 40 H LEU 40 -5.587 0.410 5.478 327 HA LEU 40 HA LEU 40 -7.575 -0.554 3.642 328 1HB LEU 40 1HB LEU 40 -7.508 -0.555 6.237 329 2HB LEU 40 2HB LEU 40 -8.187 1.069 6.121 330 HG LEU 40 HG LEU 40 -9.846 -0.207 4.426 331 1HD1 LEU 40 1HD1 LEU 40 -8.950 -2.277 6.454 332 2HD1 LEU 40 2HD1 LEU 40 -8.828 -2.397 4.698 333 3HD1 LEU 40 3HD1 LEU 40 -10.412 -2.417 5.476 334 1HD2 LEU 40 1HD2 LEU 40 -10.235 1.105 6.646 335 2HD2 LEU 40 2HD2 LEU 40 -10.310 -0.492 7.391 336 3HD2 LEU 40 3HD2 LEU 40 -11.463 -0.052 6.131 337 H ARG 41 H ARG 41 -6.728 2.797 4.623 338 HA ARG 41 HA ARG 41 -8.982 4.147 3.494 339 1HB ARG 41 1HB ARG 41 -6.083 4.892 3.931 340 2HB ARG 41 2HB ARG 41 -7.211 6.037 3.207 341 1HG ARG 41 1HG ARG 41 -8.099 4.653 5.692 342 2HG ARG 41 2HG ARG 41 -6.850 5.888 5.862 343 1HD ARG 41 1HD ARG 41 -8.290 7.517 4.677 344 2HD ARG 41 2HD ARG 41 -9.552 6.278 4.522 345 HE ARG 41 HE ARG 41 -8.610 7.438 7.106 346 1HH1 ARG 41 1HH1 ARG 41 -11.417 7.805 6.044 347 2HH1 ARG 41 2HH1 ARG 41 -12.289 6.612 6.948 348 1HH2 ARG 41 1HH2 ARG 41 -9.442 4.894 7.934 349 2HH2 ARG 41 2HH2 ARG 41 -11.170 4.963 8.018 350 H VAL 42 H VAL 42 -5.924 3.063 1.932 351 HA VAL 42 HA VAL 42 -6.398 4.282 -0.632 352 HB VAL 42 HB VAL 42 -4.977 1.688 0.098 353 1HG1 VAL 42 1HG1 VAL 42 -3.763 1.982 -2.013 354 2HG1 VAL 42 2HG1 VAL 42 -4.682 3.447 -2.359 355 3HG1 VAL 42 3HG1 VAL 42 -5.494 1.882 -2.331 356 1HG2 VAL 42 1HG2 VAL 42 -4.263 4.582 0.198 357 2HG2 VAL 42 2HG2 VAL 42 -3.010 3.462 -0.336 358 3HG2 VAL 42 3HG2 VAL 42 -3.753 3.262 1.251 359 H GLY 43 H GLY 43 -7.462 1.115 0.702 360 1HA GLY 43 1HA GLY 43 -8.752 0.266 -1.748 361 2HA GLY 43 2HA GLY 43 -9.028 -0.424 -0.145 362 H GLN 44 H GLN 44 -9.889 1.866 1.266 363 HA GLN 44 HA GLN 44 -12.673 2.016 0.600 364 1HB GLN 44 1HB GLN 44 -11.296 2.686 2.755 365 2HB GLN 44 2HB GLN 44 -11.246 4.275 1.992 366 1HG GLN 44 1HG GLN 44 -13.860 3.758 1.667 367 2HG GLN 44 2HG GLN 44 -13.572 2.781 3.107 368 1HE2 GLN 44 1HE2 GLN 44 -13.800 3.939 5.059 369 2HE2 GLN 44 2HE2 GLN 44 -13.577 5.615 5.210 370 H ILE 45 H ILE 45 -9.921 4.081 -0.412 371 HA ILE 45 HA ILE 45 -11.482 6.186 -1.642 372 HB ILE 45 HB ILE 45 -8.702 5.053 -2.177 373 1HG1 ILE 45 1HG1 ILE 45 -9.343 7.689 -0.877 374 2HG1 ILE 45 2HG1 ILE 45 -9.427 6.201 0.065 375 1HG2 ILE 45 1HG2 ILE 45 -10.152 6.791 -3.859 376 2HG2 ILE 45 2HG2 ILE 45 -8.422 6.471 -3.910 377 3HG2 ILE 45 3HG2 ILE 45 -9.039 7.828 -2.970 378 1HD1 ILE 45 1HD1 ILE 45 -6.994 6.433 -1.583 379 2HD1 ILE 45 2HD1 ILE 45 -7.169 5.964 0.108 380 3HD1 ILE 45 3HD1 ILE 45 -7.137 7.671 -0.334 381 H LEU 46 H LEU 46 -9.814 3.382 -3.209 382 HA LEU 46 HA LEU 46 -11.138 3.772 -5.730 383 1HB LEU 46 1HB LEU 46 -9.102 2.381 -5.388 384 2HB LEU 46 2HB LEU 46 -10.082 1.187 -4.535 385 HG LEU 46 HG LEU 46 -11.438 0.813 -6.536 386 1HD1 LEU 46 1HD1 LEU 46 -10.709 1.916 -8.697 387 2HD1 LEU 46 2HD1 LEU 46 -9.695 2.987 -7.731 388 3HD1 LEU 46 3HD1 LEU 46 -11.447 3.018 -7.531 389 1HD2 LEU 46 1HD2 LEU 46 -9.330 -0.463 -6.274 390 2HD2 LEU 46 2HD2 LEU 46 -8.474 0.784 -7.180 391 3HD2 LEU 46 3HD2 LEU 46 -9.713 -0.190 -7.973 392 H LYS 47 H LYS 47 -12.342 2.304 -2.745 393 HA LYS 47 HA LYS 47 -14.425 0.688 -3.931 394 1HB LYS 47 1HB LYS 47 -13.897 1.946 -1.239 395 2HB LYS 47 2HB LYS 47 -15.478 1.231 -1.559 396 1HG LYS 47 1HG LYS 47 -14.305 -0.879 -2.265 397 2HG LYS 47 2HG LYS 47 -12.788 -0.156 -1.732 398 1HD LYS 47 1HD LYS 47 -13.642 0.059 0.543 399 2HD LYS 47 2HD LYS 47 -15.221 -0.542 0.036 400 1HE LYS 47 1HE LYS 47 -12.748 -2.206 -0.437 401 2HE LYS 47 2HE LYS 47 -13.578 -2.243 1.131 402 1HZ LYS 47 1HZ LYS 47 -14.766 -2.783 -1.537 403 2HZ LYS 47 2HZ LYS 47 -15.680 -2.595 -0.118 404 3HZ LYS 47 3HZ LYS 47 -14.584 -3.884 -0.260 405 H GLU 48 H GLU 48 -14.130 4.152 -3.057 406 HA GLU 48 HA GLU 48 -16.927 4.750 -3.482 407 1HB GLU 48 1HB GLU 48 -14.364 6.284 -3.254 408 2HB GLU 48 2HB GLU 48 -15.781 7.129 -3.875 409 1HG GLU 48 1HG GLU 48 -15.902 5.507 -1.331 410 2HG GLU 48 2HG GLU 48 -15.399 7.197 -1.323 411 HA PRO 49 HA PRO 49 -16.894 4.609 -7.915 412 1HB PRO 49 1HB PRO 49 -19.066 6.183 -8.460 413 2HB PRO 49 2HB PRO 49 -19.206 4.522 -7.848 414 1HG PRO 49 1HG PRO 49 -19.430 7.103 -6.384 415 2HG PRO 49 2HG PRO 49 -20.376 5.618 -6.204 416 1HD PRO 49 1HD PRO 49 -18.376 6.325 -4.502 417 2HD PRO 49 2HD PRO 49 -18.819 4.635 -4.837 418 H LYS 50 H LYS 50 -17.379 7.838 -6.387 419 HA LYS 50 HA LYS 50 -16.583 9.457 -8.610 420 1HB LYS 50 1HB LYS 50 -16.585 9.738 -5.620 421 2HB LYS 50 2HB LYS 50 -15.742 10.962 -6.570 422 1HG LYS 50 1HG LYS 50 -17.929 11.820 -6.415 423 2HG LYS 50 2HG LYS 50 -17.918 11.033 -7.993 424 1HD LYS 50 1HD LYS 50 -19.226 9.256 -7.272 425 2HD LYS 50 2HD LYS 50 -18.714 9.426 -5.593 426 1HE LYS 50 1HE LYS 50 -20.003 11.592 -5.485 427 2HE LYS 50 2HE LYS 50 -20.638 11.228 -7.102 428 1HZ LYS 50 1HZ LYS 50 -20.892 9.551 -4.663 429 2HZ LYS 50 2HZ LYS 50 -21.324 9.029 -6.221 430 3HZ LYS 50 3HZ LYS 50 -22.147 10.327 -5.499 431 H MET 51 H MET 51 -14.587 7.802 -6.126 432 HA MET 51 HA MET 51 -12.065 8.950 -7.058 433 1HB MET 51 1HB MET 51 -12.594 6.416 -5.484 434 2HB MET 51 2HB MET 51 -11.065 7.287 -5.556 435 1HG MET 51 1HG MET 51 -13.365 8.953 -4.753 436 2HG MET 51 2HG MET 51 -12.990 7.653 -3.629 437 1HE MET 51 1HE MET 51 -11.344 10.531 -5.779 438 2HE MET 51 2HE MET 51 -10.348 9.092 -5.992 439 3HE MET 51 3HE MET 51 -9.693 10.491 -5.144 440 H ALA 52 H ALA 52 -13.861 5.924 -7.746 441 HA ALA 52 HA ALA 52 -11.906 4.470 -9.185 442 1HB ALA 52 1HB ALA 52 -14.736 4.663 -10.203 443 2HB ALA 52 2HB ALA 52 -14.447 4.014 -8.590 444 3HB ALA 52 3HB ALA 52 -13.728 3.230 -9.998 445 H ALA 53 H ALA 53 -13.906 7.220 -10.311 446 HA ALA 53 HA ALA 53 -13.290 7.090 -13.099 447 1HB ALA 53 1HB ALA 53 -13.586 9.606 -11.422 448 2HB ALA 53 2HB ALA 53 -14.949 8.607 -11.929 449 3HB ALA 53 3HB ALA 53 -13.956 9.424 -13.137 450 H SER 54 H SER 54 -11.318 8.338 -10.380 451 HA SER 54 HA SER 54 -9.244 9.262 -12.331 452 1HB SER 54 1HB SER 54 -9.533 9.608 -9.325 453 2HB SER 54 2HB SER 54 -8.288 10.363 -10.318 454 HG SER 54 HG SER 54 -9.825 11.568 -11.325 455 H LEU 55 H LEU 55 -9.574 7.093 -9.459 456 HA LEU 55 HA LEU 55 -6.875 6.176 -9.363 457 1HB LEU 55 1HB LEU 55 -9.554 5.064 -8.601 458 2HB LEU 55 2HB LEU 55 -8.163 3.979 -8.559 459 HG LEU 55 HG LEU 55 -7.026 5.989 -7.276 460 1HD1 LEU 55 1HD1 LEU 55 -9.990 6.497 -7.030 461 2HD1 LEU 55 2HD1 LEU 55 -8.711 7.647 -7.419 462 3HD1 LEU 55 3HD1 LEU 55 -8.861 7.018 -5.778 463 1HD2 LEU 55 1HD2 LEU 55 -7.625 3.654 -6.435 464 2HD2 LEU 55 2HD2 LEU 55 -9.136 4.349 -5.851 465 3HD2 LEU 55 3HD2 LEU 55 -7.596 4.919 -5.206 466 H LEU 56 H LEU 56 -9.558 5.134 -11.504 467 HA LEU 56 HA LEU 56 -7.614 3.326 -12.902 468 1HB LEU 56 1HB LEU 56 -9.976 2.693 -11.736 469 2HB LEU 56 2HB LEU 56 -10.551 3.126 -13.347 470 HG LEU 56 HG LEU 56 -8.249 1.215 -12.892 471 1HD1 LEU 56 1HD1 LEU 56 -10.577 0.545 -11.918 472 2HD1 LEU 56 2HD1 LEU 56 -9.729 -0.607 -12.950 473 3HD1 LEU 56 3HD1 LEU 56 -11.046 0.363 -13.608 474 1HD2 LEU 56 1HD2 LEU 56 -10.056 1.838 -15.251 475 2HD2 LEU 56 2HD2 LEU 56 -8.873 0.530 -15.226 476 3HD2 LEU 56 3HD2 LEU 56 -8.336 2.208 -15.118 477 H ASN 57 H ASN 57 -7.715 6.223 -13.447 478 HA ASN 57 HA ASN 57 -9.213 6.380 -16.013 479 1HB ASN 57 1HB ASN 57 -8.852 8.133 -13.931 480 2HB ASN 57 2HB ASN 57 -7.626 8.685 -15.070 481 1HD2 ASN 57 1HD2 ASN 57 -10.047 10.228 -14.450 482 2HD2 ASN 57 2HD2 ASN 57 -10.959 10.310 -15.879 483 HA PRO 58 HA PRO 58 -5.168 5.683 -17.881 484 1HB PRO 58 1HB PRO 58 -6.062 5.167 -20.406 485 2HB PRO 58 2HB PRO 58 -6.093 3.959 -19.108 486 1HG PRO 58 1HG PRO 58 -8.301 5.516 -20.282 487 2HG PRO 58 2HG PRO 58 -8.320 3.921 -19.522 488 1HD PRO 58 1HD PRO 58 -9.137 6.341 -18.355 489 2HD PRO 58 2HD PRO 58 -8.878 4.797 -17.520 490 H TYR 59 H TYR 59 -7.131 8.368 -18.058 491 HA TYR 59 HA TYR 59 -5.944 9.588 -20.473 492 1HB TYR 59 1HB TYR 59 -8.077 10.275 -18.446 493 2HB TYR 59 2HB TYR 59 -7.505 11.483 -19.606 494 HD1 TYR 59 HD1 TYR 59 -8.679 7.914 -19.494 495 HD2 TYR 59 HD2 TYR 59 -8.540 11.599 -21.701 496 HE1 TYR 59 HE1 TYR 59 -10.134 6.926 -21.238 497 HE2 TYR 59 HE2 TYR 59 -9.996 10.608 -23.446 498 HH TYR 59 HH TYR 59 -10.420 7.624 -24.008 499 H VAL 60 H VAL 60 -5.292 9.480 -17.014 500 HA VAL 60 HA VAL 60 -3.831 12.081 -17.147 501 HB VAL 60 HB VAL 60 -3.711 11.862 -14.703 502 1HG1 VAL 60 1HG1 VAL 60 -6.286 11.591 -16.168 503 2HG1 VAL 60 2HG1 VAL 60 -5.714 12.886 -15.119 504 3HG1 VAL 60 3HG1 VAL 60 -6.347 11.398 -14.417 505 1HG2 VAL 60 1HG2 VAL 60 -3.559 9.250 -14.891 506 2HG2 VAL 60 2HG2 VAL 60 -5.319 9.317 -14.853 507 3HG2 VAL 60 3HG2 VAL 60 -4.384 9.958 -13.504 508 H LYS 61 H LYS 61 -2.715 9.737 -18.608 509 HA LYS 61 HA LYS 61 -0.668 8.592 -18.841 510 1HB LYS 61 1HB LYS 61 -0.189 11.203 -17.487 511 2HB LYS 61 2HB LYS 61 1.169 10.081 -17.562 512 1HG LYS 61 1HG LYS 61 0.377 9.855 -20.097 513 2HG LYS 61 2HG LYS 61 -0.270 11.466 -19.784 514 1HD LYS 61 1HD LYS 61 2.179 11.766 -18.695 515 2HD LYS 61 2HD LYS 61 2.558 10.553 -19.920 516 1HE LYS 61 1HE LYS 61 2.795 12.448 -21.231 517 2HE LYS 61 2HE LYS 61 1.043 12.232 -21.414 518 1HZ LYS 61 1HZ LYS 61 0.788 13.573 -19.348 519 2HZ LYS 61 2HZ LYS 61 1.411 14.449 -20.663 520 3HZ LYS 61 3HZ LYS 61 2.445 13.927 -19.420 521 H ARG 62 H ARG 62 1.444 7.947 -17.310 522 HA ARG 62 HA ARG 62 0.236 6.657 -14.886 523 1HB ARG 62 1HB ARG 62 1.083 5.159 -16.655 524 2HB ARG 62 2HB ARG 62 2.653 5.960 -16.596 525 1HG ARG 62 1HG ARG 62 2.850 3.954 -15.286 526 2HG ARG 62 2HG ARG 62 2.781 5.299 -14.148 527 1HD ARG 62 1HD ARG 62 1.277 3.579 -13.329 528 2HD ARG 62 2HD ARG 62 0.266 4.880 -13.986 529 HE ARG 62 HE ARG 62 0.997 2.465 -15.602 530 1HH1 ARG 62 1HH1 ARG 62 -1.549 3.522 -13.809 531 2HH1 ARG 62 2HH1 ARG 62 -2.699 3.600 -15.103 532 1HH2 ARG 62 1HH2 ARG 62 -0.325 3.152 -17.592 533 2HH2 ARG 62 2HH2 ARG 62 -2.006 3.391 -17.244 534 H SER 63 H SER 63 3.394 8.035 -16.016 535 HA SER 63 HA SER 63 4.577 8.284 -13.416 536 1HB SER 63 1HB SER 63 5.043 10.307 -15.606 537 2HB SER 63 2HB SER 63 6.215 9.576 -14.513 538 HG SER 63 HG SER 63 6.422 8.605 -16.508 539 H VAL 64 H VAL 64 2.506 10.579 -15.253 540 HA VAL 64 HA VAL 64 2.652 12.738 -13.335 541 HB VAL 64 HB VAL 64 0.425 11.945 -15.259 542 1HG1 VAL 64 1HG1 VAL 64 -0.308 13.578 -13.556 543 2HG1 VAL 64 2HG1 VAL 64 -0.197 14.334 -15.146 544 3HG1 VAL 64 3HG1 VAL 64 1.070 14.608 -13.948 545 1HG2 VAL 64 1HG2 VAL 64 2.270 12.280 -16.644 546 2HG2 VAL 64 2HG2 VAL 64 3.012 13.444 -15.546 547 3HG2 VAL 64 3HG2 VAL 64 1.634 13.922 -16.536 548 H LYS 65 H LYS 65 0.424 9.932 -13.638 549 HA LYS 65 HA LYS 65 -1.397 10.628 -11.546 550 1HB LYS 65 1HB LYS 65 -1.657 8.742 -13.166 551 2HB LYS 65 2HB LYS 65 -0.375 7.870 -12.325 552 1HG LYS 65 1HG LYS 65 -1.709 7.358 -10.536 553 2HG LYS 65 2HG LYS 65 -2.591 8.882 -10.627 554 1HD LYS 65 1HD LYS 65 -3.670 7.984 -12.756 555 2HD LYS 65 2HD LYS 65 -2.983 6.415 -12.332 556 1HE LYS 65 1HE LYS 65 -5.152 6.347 -11.368 557 2HE LYS 65 2HE LYS 65 -4.119 6.820 -10.005 558 1HZ LYS 65 1HZ LYS 65 -5.472 8.734 -11.832 559 2HZ LYS 65 2HZ LYS 65 -4.573 9.120 -10.443 560 3HZ LYS 65 3HZ LYS 65 -6.057 8.304 -10.299 561 H VAL 66 H VAL 66 1.843 9.094 -11.364 562 HA VAL 66 HA VAL 66 1.766 8.275 -8.621 563 HB VAL 66 HB VAL 66 4.087 9.363 -10.264 564 1HG1 VAL 66 1HG1 VAL 66 5.017 9.300 -8.148 565 2HG1 VAL 66 2HG1 VAL 66 5.248 7.615 -8.611 566 3HG1 VAL 66 3HG1 VAL 66 3.893 8.068 -7.577 567 1HG2 VAL 66 1HG2 VAL 66 2.736 6.694 -10.039 568 2HG2 VAL 66 2HG2 VAL 66 4.475 6.744 -10.329 569 3HG2 VAL 66 3HG2 VAL 66 3.367 7.506 -11.471 570 H LYS 67 H LYS 67 2.576 11.472 -10.056 571 HA LYS 67 HA LYS 67 3.377 12.770 -7.620 572 1HB LYS 67 1HB LYS 67 2.403 13.586 -10.315 573 2HB LYS 67 2HB LYS 67 2.222 14.790 -9.040 574 1HG LYS 67 1HG LYS 67 4.390 15.110 -10.071 575 2HG LYS 67 2HG LYS 67 4.641 14.446 -8.457 576 1HD LYS 67 1HD LYS 67 4.683 12.141 -9.567 577 2HD LYS 67 2HD LYS 67 4.803 12.997 -11.105 578 1HE LYS 67 1HE LYS 67 6.772 14.286 -9.888 579 2HE LYS 67 2HE LYS 67 6.807 12.828 -8.876 580 1HZ LYS 67 1HZ LYS 67 6.982 12.959 -11.837 581 2HZ LYS 67 2HZ LYS 67 6.756 11.515 -10.972 582 3HZ LYS 67 3HZ LYS 67 8.180 12.419 -10.765 583 H SER 68 H SER 68 0.118 12.306 -9.059 584 HA SER 68 HA SER 68 -1.375 13.946 -7.259 585 1HB SER 68 1HB SER 68 -2.348 12.910 -9.256 586 2HB SER 68 2HB SER 68 -2.090 11.304 -8.582 587 HG SER 68 HG SER 68 -3.855 13.342 -7.721 588 H LEU 69 H LEU 69 -0.159 10.597 -6.834 589 HA LEU 69 HA LEU 69 -1.583 10.018 -4.394 590 1HB LEU 69 1HB LEU 69 1.026 9.061 -5.602 591 2HB LEU 69 2HB LEU 69 0.447 8.435 -4.059 592 HG LEU 69 HG LEU 69 -1.785 8.342 -5.796 593 1HD1 LEU 69 1HD1 LEU 69 0.519 6.934 -7.132 594 2HD1 LEU 69 2HD1 LEU 69 0.101 8.589 -7.571 595 3HD1 LEU 69 3HD1 LEU 69 -1.080 7.298 -7.780 596 1HD2 LEU 69 1HD2 LEU 69 -1.370 6.716 -4.051 597 2HD2 LEU 69 2HD2 LEU 69 0.138 6.211 -4.814 598 3HD2 LEU 69 3HD2 LEU 69 -1.406 5.856 -5.589 599 H SER 70 H SER 70 1.780 11.259 -4.878 600 HA SER 70 HA SER 70 2.344 11.700 -2.093 601 1HB SER 70 1HB SER 70 3.903 11.788 -4.164 602 2HB SER 70 2HB SER 70 3.353 13.451 -4.350 603 HG SER 70 HG SER 70 4.239 13.962 -2.412 604 H ASP 71 H ASP 71 0.842 13.857 -4.550 605 HA ASP 71 HA ASP 71 0.572 16.114 -2.723 606 1HB ASP 71 1HB ASP 71 0.476 15.962 -5.350 607 2HB ASP 71 2HB ASP 71 -1.239 15.638 -5.084 608 H MET 72 H MET 72 -1.334 13.178 -3.205 609 HA MET 72 HA MET 72 -3.689 14.325 -1.791 610 1HB MET 72 1HB MET 72 -3.784 12.617 -3.716 611 2HB MET 72 2HB MET 72 -3.133 11.439 -2.576 612 1HG MET 72 1HG MET 72 -5.080 12.149 -1.029 613 2HG MET 72 2HG MET 72 -5.783 12.878 -2.473 614 1HE MET 72 1HE MET 72 -3.706 9.861 -1.488 615 2HE MET 72 2HE MET 72 -4.734 8.466 -1.802 616 3HE MET 72 3HE MET 72 -5.143 9.574 -0.495 617 H THR 73 H THR 73 -1.093 11.898 -1.350 618 HA THR 73 HA THR 73 -1.642 11.021 1.286 619 HB THR 73 HB THR 73 0.958 11.589 -0.188 620 HG1 THR 73 HG1 THR 73 -0.547 9.192 0.165 621 1HG2 THR 73 1HG2 THR 73 1.898 11.268 1.833 622 2HG2 THR 73 2HG2 THR 73 1.554 9.568 1.519 623 3HG2 THR 73 3HG2 THR 73 0.450 10.526 2.506 624 H ALA 74 H ALA 74 -0.013 14.034 0.156 625 HA ALA 74 HA ALA 74 0.941 14.975 2.687 626 1HB ALA 74 1HB ALA 74 1.598 16.100 0.668 627 2HB ALA 74 2HB ALA 74 0.627 17.266 1.568 628 3HB ALA 74 3HB ALA 74 -0.079 16.395 0.207 629 H LYS 75 H LYS 75 -2.311 15.276 1.188 630 HA LYS 75 HA LYS 75 -3.341 16.859 3.463 631 1HB LYS 75 1HB LYS 75 -4.037 16.688 0.861 632 2HB LYS 75 2HB LYS 75 -5.157 15.496 1.521 633 1HG LYS 75 1HG LYS 75 -6.464 17.339 1.881 634 2HG LYS 75 2HG LYS 75 -5.477 17.481 3.337 635 1HD LYS 75 1HD LYS 75 -5.145 19.598 2.501 636 2HD LYS 75 2HD LYS 75 -3.859 18.769 1.623 637 1HE LYS 75 1HE LYS 75 -5.547 18.362 -0.246 638 2HE LYS 75 2HE LYS 75 -6.621 19.492 0.602 639 1HZ LYS 75 1HZ LYS 75 -5.111 20.559 -1.059 640 2HZ LYS 75 2HZ LYS 75 -3.798 20.110 -0.076 641 3HZ LYS 75 3HZ LYS 75 -4.977 21.184 0.513 642 H GLU 76 H GLU 76 -3.517 13.457 2.326 643 HA GLU 76 HA GLU 76 -5.455 12.557 4.265 644 1HB GLU 76 1HB GLU 76 -4.533 11.402 2.142 645 2HB GLU 76 2HB GLU 76 -3.196 10.878 3.167 646 1HG GLU 76 1HG GLU 76 -4.601 9.099 3.536 647 2HG GLU 76 2HG GLU 76 -5.244 10.186 4.768 648 H LYS 77 H LYS 77 -2.046 13.386 4.684 649 HA LYS 77 HA LYS 77 -0.673 13.283 6.584 650 1HB LYS 77 1HB LYS 77 -3.039 14.138 7.427 651 2HB LYS 77 2HB LYS 77 -3.091 12.561 8.217 652 1HG LYS 77 1HG LYS 77 -2.108 14.071 9.799 653 2HG LYS 77 2HG LYS 77 -0.786 13.095 9.159 654 1HD LYS 77 1HD LYS 77 0.124 14.849 7.974 655 2HD LYS 77 2HD LYS 77 -1.439 15.626 7.721 656 1HE LYS 77 1HE LYS 77 -1.314 15.897 10.387 657 2HE LYS 77 2HE LYS 77 0.426 15.852 10.043 658 1HZ LYS 77 1HZ LYS 77 -0.374 18.103 9.812 659 2HZ LYS 77 2HZ LYS 77 -1.584 17.605 8.728 660 3HZ LYS 77 3HZ LYS 77 0.053 17.504 8.284 661 H PHE 78 H PHE 78 -0.763 10.926 5.040 662 HA PHE 78 HA PHE 78 -1.463 8.520 6.407 663 1HB PHE 78 1HB PHE 78 0.385 9.318 4.217 664 2HB PHE 78 2HB PHE 78 0.743 7.774 4.989 665 HD1 PHE 78 HD1 PHE 78 -0.920 9.085 2.287 666 HD2 PHE 78 HD2 PHE 78 -1.646 6.500 5.645 667 HE1 PHE 78 HE1 PHE 78 -2.804 8.029 1.065 668 HE2 PHE 78 HE2 PHE 78 -3.533 5.448 4.419 669 HZ PHE 78 HZ PHE 78 -4.110 6.207 2.132 670 H SER 79 H SER 79 0.647 6.909 6.957 671 HA SER 79 HA SER 79 1.972 8.312 9.217 672 1HB SER 79 1HB SER 79 1.944 5.342 8.913 673 2HB SER 79 2HB SER 79 1.741 6.315 10.365 674 HG SER 79 HG SER 79 -0.341 6.737 9.788 675 HA PRO 80 HA PRO 80 5.921 7.472 7.512 676 1HB PRO 80 1HB PRO 80 7.359 5.934 9.235 677 2HB PRO 80 2HB PRO 80 6.965 7.635 9.533 678 1HG PRO 80 1HG PRO 80 5.768 5.191 10.687 679 2HG PRO 80 2HG PRO 80 6.008 6.787 11.412 680 1HD PRO 80 1HD PRO 80 3.622 5.815 10.418 681 2HD PRO 80 2HD PRO 80 3.987 7.530 10.701 682 H LEU 81 H LEU 81 3.900 4.693 7.902 683 HA LEU 81 HA LEU 81 5.768 3.101 6.193 684 1HB LEU 81 1HB LEU 81 3.846 2.482 8.410 685 2HB LEU 81 2HB LEU 81 4.078 1.272 7.137 686 HG LEU 81 HG LEU 81 6.562 2.505 8.204 687 1HD1 LEU 81 1HD1 LEU 81 6.485 0.790 10.119 688 2HD1 LEU 81 2HD1 LEU 81 4.742 0.756 9.855 689 3HD1 LEU 81 3HD1 LEU 81 5.532 2.260 10.322 690 1HD2 LEU 81 1HD2 LEU 81 5.593 -0.211 7.320 691 2HD2 LEU 81 2HD2 LEU 81 7.130 -0.031 8.168 692 3HD2 LEU 81 3HD2 LEU 81 6.875 0.781 6.623 693 H THR 82 H THR 82 3.257 5.163 5.710 694 HA THR 82 HA THR 82 1.935 3.320 3.779 695 HB THR 82 HB THR 82 0.548 5.713 4.959 696 HG1 THR 82 HG1 THR 82 0.170 4.619 6.803 697 1HG2 THR 82 1HG2 THR 82 -1.005 3.361 4.928 698 2HG2 THR 82 2HG2 THR 82 -0.058 3.285 3.450 699 3HG2 THR 82 3HG2 THR 82 -1.082 4.677 3.767 700 H SER 83 H SER 83 4.091 5.884 3.704 701 HA SER 83 HA SER 83 2.785 7.021 1.262 702 1HB SER 83 1HB SER 83 3.909 9.056 1.776 703 2HB SER 83 2HB SER 83 3.451 8.449 3.364 704 HG SER 83 HG SER 83 5.666 9.089 3.230 705 H ASN 84 H ASN 84 4.082 4.511 1.252 706 HA ASN 84 HA ASN 84 6.291 5.013 -0.691 707 1HB ASN 84 1HB ASN 84 6.379 3.393 1.879 708 2HB ASN 84 2HB ASN 84 7.489 3.063 0.548 709 1HD2 ASN 84 1HD2 ASN 84 8.720 5.166 -0.271 710 2HD2 ASN 84 2HD2 ASN 84 9.216 6.244 0.943 711 H LEU 85 H LEU 85 4.629 2.356 1.094 712 HA LEU 85 HA LEU 85 4.341 0.562 -1.125 713 1HB LEU 85 1HB LEU 85 3.953 -0.154 1.182 714 2HB LEU 85 2HB LEU 85 2.685 1.049 1.393 715 HG LEU 85 HG LEU 85 1.374 -0.127 -0.417 716 1HD1 LEU 85 1HD1 LEU 85 3.704 -1.321 -1.075 717 2HD1 LEU 85 2HD1 LEU 85 2.135 -2.040 -1.434 718 3HD1 LEU 85 3HD1 LEU 85 3.040 -2.561 -0.012 719 1HD2 LEU 85 1HD2 LEU 85 1.049 -0.517 2.055 720 2HD2 LEU 85 2HD2 LEU 85 2.126 -1.904 1.922 721 3HD2 LEU 85 3HD2 LEU 85 0.592 -1.895 1.053 722 H ILE 86 H ILE 86 2.532 3.526 -0.175 723 HA ILE 86 HA ILE 86 0.192 3.091 -1.763 724 HB ILE 86 HB ILE 86 0.531 4.892 -0.043 725 1HG1 ILE 86 1HG1 ILE 86 -0.155 6.418 -2.494 726 2HG1 ILE 86 2HG1 ILE 86 -1.062 4.927 -2.239 727 1HG2 ILE 86 1HG2 ILE 86 2.021 6.382 -2.219 728 2HG2 ILE 86 2HG2 ILE 86 2.844 5.524 -0.917 729 3HG2 ILE 86 3HG2 ILE 86 1.776 6.876 -0.544 730 1HD1 ILE 86 1HD1 ILE 86 -1.869 7.216 -1.160 731 2HD1 ILE 86 2HD1 ILE 86 -0.698 6.775 0.084 732 3HD1 ILE 86 3HD1 ILE 86 -2.042 5.692 -0.289 733 H ASN 87 H ASN 87 3.419 4.374 -2.661 734 HA ASN 87 HA ASN 87 2.713 5.228 -5.327 735 1HB ASN 87 1HB ASN 87 4.874 5.624 -3.948 736 2HB ASN 87 2HB ASN 87 5.381 4.037 -4.525 737 1HD2 ASN 87 1HD2 ASN 87 7.149 5.144 -5.794 738 2HD2 ASN 87 2HD2 ASN 87 6.757 5.929 -7.247 739 H LEU 88 H LEU 88 4.096 2.110 -4.155 740 HA LEU 88 HA LEU 88 4.248 0.698 -6.598 741 1HB LEU 88 1HB LEU 88 3.697 -0.048 -3.739 742 2HB LEU 88 2HB LEU 88 3.554 -1.296 -4.977 743 HG LEU 88 HG LEU 88 5.983 0.390 -5.166 744 1HD1 LEU 88 1HD1 LEU 88 7.074 -1.067 -3.361 745 2HD1 LEU 88 2HD1 LEU 88 5.437 -1.443 -2.823 746 3HD1 LEU 88 3HD1 LEU 88 6.017 0.222 -2.788 747 1HD2 LEU 88 1HD2 LEU 88 6.986 -1.711 -5.780 748 2HD2 LEU 88 2HD2 LEU 88 5.405 -1.655 -6.558 749 3HD2 LEU 88 3HD2 LEU 88 5.636 -2.620 -5.100 750 H LEU 89 H LEU 89 1.377 1.109 -4.462 751 HA LEU 89 HA LEU 89 -0.411 -0.545 -5.997 752 1HB LEU 89 1HB LEU 89 -0.868 1.885 -4.234 753 2HB LEU 89 2HB LEU 89 -2.178 0.878 -4.856 754 HG LEU 89 HG LEU 89 0.156 -0.261 -3.306 755 1HD1 LEU 89 1HD1 LEU 89 -1.483 1.510 -2.152 756 2HD1 LEU 89 2HD1 LEU 89 -0.951 0.062 -1.298 757 3HD1 LEU 89 3HD1 LEU 89 -2.542 0.104 -2.059 758 1HD2 LEU 89 1HD2 LEU 89 -1.733 -1.487 -4.871 759 2HD2 LEU 89 2HD2 LEU 89 -2.512 -1.536 -3.289 760 3HD2 LEU 89 3HD2 LEU 89 -0.918 -2.257 -3.511 761 H ALA 90 H ALA 90 0.578 2.872 -6.405 762 HA ALA 90 HA ALA 90 -1.142 2.981 -8.856 763 1HB ALA 90 1HB ALA 90 -0.129 4.958 -6.838 764 2HB ALA 90 2HB ALA 90 -1.752 4.782 -7.506 765 3HB ALA 90 3HB ALA 90 -0.476 5.522 -8.474 766 H GLU 91 H GLU 91 1.644 1.682 -8.598 767 HA GLU 91 HA GLU 91 3.229 3.574 -10.301 768 1HB GLU 91 1HB GLU 91 3.839 1.903 -8.125 769 2HB GLU 91 2HB GLU 91 4.533 1.080 -9.519 770 1HG GLU 91 1HG GLU 91 5.769 3.075 -10.147 771 2HG GLU 91 2HG GLU 91 4.985 4.008 -8.873 772 H ASN 92 H ASN 92 2.226 0.090 -10.225 773 HA ASN 92 HA ASN 92 2.744 0.024 -13.183 774 1HB ASN 92 1HB ASN 92 2.768 -2.061 -10.991 775 2HB ASN 92 2HB ASN 92 2.824 -2.489 -12.701 776 1HD2 ASN 92 1HD2 ASN 92 4.956 -2.489 -10.341 777 2HD2 ASN 92 2HD2 ASN 92 6.300 -1.761 -11.078 778 H GLY 93 H GLY 93 0.151 0.967 -11.831 779 1HA GLY 93 1HA GLY 93 -2.103 0.766 -12.466 780 2HA GLY 93 2HA GLY 93 -1.654 -0.596 -13.496 781 H ARG 94 H ARG 94 -1.189 -0.128 -9.954 782 HA ARG 94 HA ARG 94 -2.531 -2.771 -9.588 783 1HB ARG 94 1HB ARG 94 -0.620 -1.140 -7.893 784 2HB ARG 94 2HB ARG 94 -1.356 -2.645 -7.346 785 1HG ARG 94 1HG ARG 94 0.227 -2.420 -9.916 786 2HG ARG 94 2HG ARG 94 0.952 -2.888 -8.378 787 1HD ARG 94 1HD ARG 94 0.078 -4.989 -8.487 788 2HD ARG 94 2HD ARG 94 -1.505 -4.390 -9.022 789 HE ARG 94 HE ARG 94 -0.507 -4.144 -11.310 790 1HH1 ARG 94 1HH1 ARG 94 -0.171 -6.963 -9.727 791 2HH1 ARG 94 2HH1 ARG 94 1.269 -7.502 -10.525 792 1HH2 ARG 94 1HH2 ARG 94 1.909 -4.438 -12.015 793 2HH2 ARG 94 2HH2 ARG 94 2.446 -6.074 -11.821 794 H LEU 95 H LEU 95 -4.178 -0.377 -10.026 795 HA LEU 95 HA LEU 95 -5.311 0.096 -7.290 796 1HB LEU 95 1HB LEU 95 -5.450 1.536 -9.955 797 2HB LEU 95 2HB LEU 95 -6.578 1.912 -8.652 798 HG LEU 95 HG LEU 95 -3.559 1.981 -8.371 799 1HD1 LEU 95 1HD1 LEU 95 -5.595 4.074 -9.077 800 2HD1 LEU 95 2HD1 LEU 95 -3.979 3.823 -9.739 801 3HD1 LEU 95 3HD1 LEU 95 -4.175 4.528 -8.135 802 1HD2 LEU 95 1HD2 LEU 95 -4.262 3.342 -6.299 803 2HD2 LEU 95 2HD2 LEU 95 -4.530 1.600 -6.230 804 3HD2 LEU 95 3HD2 LEU 95 -5.878 2.687 -6.563 805 H THR 96 H THR 96 -5.771 -2.404 -8.156 806 HA THR 96 HA THR 96 -8.659 -2.409 -8.962 807 HB THR 96 HB THR 96 -7.934 -4.611 -10.164 808 HG1 THR 96 HG1 THR 96 -5.809 -4.792 -10.600 809 1HG2 THR 96 1HG2 THR 96 -7.434 -1.791 -11.019 810 2HG2 THR 96 2HG2 THR 96 -8.587 -2.966 -11.651 811 3HG2 THR 96 3HG2 THR 96 -6.879 -3.090 -12.074 812 H ASN 97 H ASN 97 -5.984 -4.555 -7.790 813 HA ASN 97 HA ASN 97 -7.883 -5.851 -5.893 814 1HB ASN 97 1HB ASN 97 -5.051 -6.408 -6.836 815 2HB ASN 97 2HB ASN 97 -5.835 -7.347 -5.561 816 1HD2 ASN 97 1HD2 ASN 97 -5.878 -6.659 -9.058 817 2HD2 ASN 97 2HD2 ASN 97 -6.954 -7.910 -9.456 818 H THR 98 H THR 98 -6.392 -2.977 -5.718 819 HA THR 98 HA THR 98 -4.504 -2.831 -3.713 820 HB THR 98 HB THR 98 -6.691 -0.902 -3.354 821 HG1 THR 98 HG1 THR 98 -6.757 -0.209 -5.436 822 1HG2 THR 98 1HG2 THR 98 -4.919 0.680 -3.855 823 2HG2 THR 98 2HG2 THR 98 -3.904 -0.614 -4.494 824 3HG2 THR 98 3HG2 THR 98 -4.281 -0.557 -2.772 825 HA PRO 99 HA PRO 99 -7.833 -2.990 -0.232 826 1HB PRO 99 1HB PRO 99 -10.176 -4.300 -0.831 827 2HB PRO 99 2HB PRO 99 -9.979 -2.539 -0.945 828 1HG PRO 99 1HG PRO 99 -9.827 -4.600 -3.099 829 2HG PRO 99 2HG PRO 99 -10.622 -3.016 -3.111 830 1HD PRO 99 1HD PRO 99 -8.254 -3.396 -4.281 831 2HD PRO 99 2HD PRO 99 -8.636 -1.872 -3.459 832 H ALA 100 H ALA 100 -7.839 -5.677 -2.624 833 HA ALA 100 HA ALA 100 -7.936 -7.850 -0.736 834 1HB ALA 100 1HB ALA 100 -6.946 -7.439 -3.538 835 2HB ALA 100 2HB ALA 100 -8.189 -8.540 -2.945 836 3HB ALA 100 3HB ALA 100 -6.484 -8.925 -2.708 837 H VAL 101 H VAL 101 -5.231 -5.757 -1.791 838 HA VAL 101 HA VAL 101 -3.041 -7.315 -0.801 839 HB VAL 101 HB VAL 101 -3.425 -4.294 -0.884 840 1HG1 VAL 101 1HG1 VAL 101 -0.741 -4.818 -1.307 841 2HG1 VAL 101 2HG1 VAL 101 -1.170 -5.989 -0.060 842 3HG1 VAL 101 3HG1 VAL 101 -1.444 -4.269 0.214 843 1HG2 VAL 101 1HG2 VAL 101 -3.473 -6.047 -2.997 844 2HG2 VAL 101 2HG2 VAL 101 -1.758 -5.649 -2.915 845 3HG2 VAL 101 3HG2 VAL 101 -2.953 -4.367 -3.113 846 H ILE 102 H ILE 102 -5.118 -4.903 0.884 847 HA ILE 102 HA ILE 102 -3.734 -4.937 3.395 848 HB ILE 102 HB ILE 102 -6.674 -4.501 2.730 849 1HG1 ILE 102 1HG1 ILE 102 -5.287 -2.111 3.464 850 2HG1 ILE 102 2HG1 ILE 102 -4.280 -2.949 2.285 851 1HG2 ILE 102 1HG2 ILE 102 -6.487 -4.974 5.106 852 2HG2 ILE 102 2HG2 ILE 102 -6.709 -3.235 4.904 853 3HG2 ILE 102 3HG2 ILE 102 -5.107 -3.884 5.256 854 1HD1 ILE 102 1HD1 ILE 102 -6.358 -1.317 1.622 855 2HD1 ILE 102 2HD1 ILE 102 -7.169 -2.883 1.647 856 3HD1 ILE 102 3HD1 ILE 102 -5.776 -2.628 0.597 857 H SER 103 H SER 103 -6.174 -7.214 2.073 858 HA SER 103 HA SER 103 -6.861 -8.576 4.492 859 1HB SER 103 1HB SER 103 -6.533 -9.635 1.660 860 2HB SER 103 2HB SER 103 -7.357 -10.499 2.955 861 HG SER 103 HG SER 103 -8.827 -9.309 1.689 862 H ALA 104 H ALA 104 -4.166 -9.257 2.196 863 HA ALA 104 HA ALA 104 -3.056 -11.489 3.628 864 1HB ALA 104 1HB ALA 104 -2.276 -10.987 1.408 865 2HB ALA 104 2HB ALA 104 -0.898 -10.709 2.473 866 3HB ALA 104 3HB ALA 104 -1.832 -9.342 1.865 867 H PHE 105 H PHE 105 -2.722 -7.970 4.149 868 HA PHE 105 HA PHE 105 -0.516 -7.960 5.964 869 1HB PHE 105 1HB PHE 105 -1.968 -6.049 4.871 870 2HB PHE 105 2HB PHE 105 -2.952 -6.210 6.323 871 HD1 PHE 105 HD1 PHE 105 0.110 -4.943 4.916 872 HD2 PHE 105 HD2 PHE 105 -1.854 -5.902 8.597 873 HE1 PHE 105 HE1 PHE 105 1.732 -3.540 6.134 874 HE2 PHE 105 HE2 PHE 105 -0.226 -4.499 9.824 875 HZ PHE 105 HZ PHE 105 1.575 -3.331 8.591 876 H SER 106 H SER 106 -4.035 -8.334 6.643 877 HA SER 106 HA SER 106 -3.654 -8.598 9.511 878 1HB SER 106 1HB SER 106 -5.912 -9.613 7.746 879 2HB SER 106 2HB SER 106 -5.998 -9.360 9.487 880 HG SER 106 HG SER 106 -5.766 -7.180 9.164 881 H THR 107 H THR 107 -3.570 -10.971 6.837 882 HA THR 107 HA THR 107 -3.653 -13.263 8.662 883 HB THR 107 HB THR 107 -2.456 -13.607 5.967 884 HG1 THR 107 HG1 THR 107 -4.255 -12.985 4.879 885 1HG2 THR 107 1HG2 THR 107 -4.459 -14.887 7.753 886 2HG2 THR 107 2HG2 THR 107 -3.190 -15.623 6.775 887 3HG2 THR 107 3HG2 THR 107 -4.697 -15.105 6.020 888 H MET 108 H MET 108 -1.036 -11.413 7.011 889 HA MET 108 HA MET 108 1.006 -13.239 8.120 890 1HB MET 108 1HB MET 108 1.251 -11.901 5.979 891 2HB MET 108 2HB MET 108 1.375 -10.453 6.981 892 1HG MET 108 1HG MET 108 3.611 -10.927 6.976 893 2HG MET 108 2HG MET 108 3.177 -12.078 8.235 894 1HE MET 108 1HE MET 108 5.499 -11.896 5.488 895 2HE MET 108 2HE MET 108 5.905 -13.590 5.744 896 3HE MET 108 3HE MET 108 5.663 -12.531 7.131 897 H MET 109 H MET 109 -0.459 -10.076 8.974 898 HA MET 109 HA MET 109 1.361 -9.311 11.039 899 1HB MET 109 1HB MET 109 -0.492 -7.890 10.195 900 2HB MET 109 2HB MET 109 -1.674 -8.998 10.890 901 1HG MET 109 1HG MET 109 -0.838 -8.525 13.142 902 2HG MET 109 2HG MET 109 0.415 -7.477 12.479 903 1HE MET 109 1HE MET 109 -3.919 -6.923 13.256 904 2HE MET 109 2HE MET 109 -2.724 -6.675 14.527 905 3HE MET 109 3HE MET 109 -2.759 -8.201 13.646 906 H SER 110 H SER 110 -1.442 -11.615 11.113 907 HA SER 110 HA SER 110 -1.340 -12.125 13.960 908 1HB SER 110 1HB SER 110 -2.155 -13.823 11.576 909 2HB SER 110 2HB SER 110 -2.360 -14.369 13.239 910 HG SER 110 HG SER 110 -3.735 -12.670 13.609 911 H VAL 111 H VAL 111 0.647 -13.390 11.267 912 HA VAL 111 HA VAL 111 1.957 -15.412 12.939 913 HB VAL 111 HB VAL 111 2.748 -14.188 10.270 914 1HG1 VAL 111 1HG1 VAL 111 3.758 -16.675 10.208 915 2HG1 VAL 111 2HG1 VAL 111 3.834 -16.402 11.949 916 3HG1 VAL 111 3HG1 VAL 111 4.675 -15.311 10.848 917 1HG2 VAL 111 1HG2 VAL 111 1.352 -15.691 9.233 918 2HG2 VAL 111 2HG2 VAL 111 0.461 -15.551 10.747 919 3HG2 VAL 111 3HG2 VAL 111 1.556 -16.907 10.492 920 H HIS 112 H HIS 112 2.308 -11.961 12.808 921 HA HIS 112 HA HIS 112 5.185 -12.016 13.421 922 1HB HIS 112 1HB HIS 112 5.084 -9.851 12.718 923 2HB HIS 112 2HB HIS 112 3.481 -10.270 12.138 924 HD1 HIS 112 HD1 HIS 112 1.539 -9.906 14.174 925 HD2 HIS 112 HD2 HIS 112 5.034 -7.717 14.332 926 HE1 HIS 112 HE1 HIS 112 1.086 -7.987 15.746 927 H ARG 113 H ARG 113 2.086 -11.923 15.165 928 HA ARG 113 HA ARG 113 3.451 -11.116 17.687 929 1HB ARG 113 1HB ARG 113 0.931 -10.694 16.574 930 2HB ARG 113 2HB ARG 113 0.623 -11.907 17.816 931 1HG ARG 113 1HG ARG 113 1.469 -10.521 19.543 932 2HG ARG 113 2HG ARG 113 2.270 -9.443 18.398 933 1HD ARG 113 1HD ARG 113 0.399 -8.148 18.770 934 2HD ARG 113 2HD ARG 113 -0.313 -9.221 17.548 935 HE ARG 113 HE ARG 113 -1.102 -10.660 19.451 936 1HH1 ARG 113 1HH2 ARG 113 -1.897 -7.546 19.471 937 2HH1 ARG 113 2HH2 ARG 113 -1.992 -7.327 21.187 938 1HH2 ARG 113 1HH1 ARG 113 -0.441 -10.338 21.925 939 2HH2 ARG 113 2HH1 ARG 113 -1.169 -8.908 22.576 940 H GLY 114 H GLY 114 2.024 -14.034 16.174 941 1HA GLY 114 1HA GLY 114 1.714 -15.676 18.432 942 2HA GLY 114 2HA GLY 114 2.157 -16.274 16.835 943 H GLU 115 H GLU 115 4.590 -16.074 16.280 944 HA GLU 115 HA GLU 115 6.338 -16.070 18.694 945 1HB GLU 115 1HB GLU 115 5.236 -18.377 17.833 946 2HB GLU 115 2HB GLU 115 6.647 -18.329 16.777 947 1HG GLU 115 1HG GLU 115 7.418 -19.471 18.697 948 2HG GLU 115 2HG GLU 115 7.994 -17.819 18.927 949 H VAL 116 H VAL 116 7.154 -14.057 17.564 950 HA VAL 116 HA VAL 116 9.216 -14.777 15.536 951 HB VAL 116 HB VAL 116 7.087 -12.630 15.215 952 1HG1 VAL 116 1HG1 VAL 116 8.257 -12.771 12.804 953 2HG1 VAL 116 2HG1 VAL 116 9.643 -13.231 13.794 954 3HG1 VAL 116 3HG1 VAL 116 8.845 -11.682 14.061 955 1HG2 VAL 116 1HG2 VAL 116 7.543 -15.341 13.963 956 2HG2 VAL 116 2HG2 VAL 116 6.611 -14.095 13.132 957 3HG2 VAL 116 3HG2 VAL 116 6.070 -14.706 14.695 958 HA PRO 117 HA PRO 117 10.618 -11.738 18.753 959 1HB PRO 117 1HB PRO 117 13.007 -12.959 19.291 960 2HB PRO 117 2HB PRO 117 11.495 -13.393 20.113 961 1HG PRO 117 1HG PRO 117 12.892 -14.765 17.874 962 2HG PRO 117 2HG PRO 117 12.031 -15.453 19.260 963 1HD PRO 117 1HD PRO 117 10.973 -15.293 16.749 964 2HD PRO 117 2HD PRO 117 9.995 -15.305 18.232 965 H CYS 118 H CYS 118 12.500 -10.211 18.548 966 HA CYS 118 HA CYS 118 13.982 -10.443 15.957 967 1HB CYS 118 1HB CYS 118 12.325 -8.144 17.033 968 2HB CYS 118 2HB CYS 118 13.466 -7.962 15.700 969 HG CYS 118 HG CYS 118 10.760 -8.799 15.207 970 H THR 119 H THR 119 16.066 -10.728 16.904 971 HA THR 119 HA THR 119 17.041 -8.437 18.558 972 HB THR 119 HB THR 119 16.368 -10.257 20.068 973 HG1 THR 119 HG1 THR 119 18.167 -9.246 20.771 974 1HG2 THR 119 1HG2 THR 119 18.107 -12.343 19.661 975 2HG2 THR 119 2HG2 THR 119 17.706 -11.885 18.006 976 3HG2 THR 119 3HG2 THR 119 16.424 -12.326 19.134 977 H VAL 120 H VAL 120 19.665 -9.172 18.927 978 HA VAL 120 HA VAL 120 20.693 -10.034 16.255 979 HB VAL 120 HB VAL 120 20.508 -7.580 16.297 980 1HG1 VAL 120 1HG1 VAL 120 21.687 -7.970 18.984 981 2HG1 VAL 120 2HG1 VAL 120 20.608 -6.705 18.399 982 3HG1 VAL 120 3HG1 VAL 120 22.338 -6.610 18.070 983 1HG2 VAL 120 1HG2 VAL 120 22.717 -7.087 15.591 984 2HG2 VAL 120 2HG2 VAL 120 22.543 -8.818 15.300 985 3HG2 VAL 120 3HG2 VAL 120 23.424 -8.246 16.717 986 1H GLN 1 1H GLN 1 8.451 -13.941 -23.377 987 2H GLN 1 2H GLN 1 7.250 -15.024 -22.854 988 3H GLN 1 3H GLN 1 8.355 -15.491 -24.058 989 HA GLN 1 HA GLN 1 9.013 -16.516 -21.995 990 1HB GLN 1 1HB GLN 1 10.541 -14.321 -23.321 991 2HB GLN 1 2HB GLN 1 11.238 -15.012 -21.855 992 1HG GLN 1 1HG GLN 1 10.191 -16.903 -23.917 993 2HG GLN 1 2HG GLN 1 11.714 -16.080 -24.255 994 1HE2 GLN 1 1HE2 GLN 1 10.356 -18.774 -22.599 995 2HE2 GLN 1 2HE2 GLN 1 11.706 -19.142 -21.637 996 H LYS 2 H LYS 2 7.462 -15.930 -20.234 997 HA LYS 2 HA LYS 2 8.482 -13.667 -18.544 998 1HB LYS 2 1HB LYS 2 5.648 -14.597 -19.109 999 2HB LYS 2 2HB LYS 2 6.067 -13.365 -17.917 1000 1HG LYS 2 1HG LYS 2 6.968 -13.125 -20.785 1001 2HG LYS 2 2HG LYS 2 5.375 -12.560 -20.279 1002 1HD LYS 2 1HD LYS 2 7.745 -11.726 -18.656 1003 2HD LYS 2 2HD LYS 2 7.485 -10.940 -20.214 1004 1HE LYS 2 1HE LYS 2 5.093 -10.488 -19.475 1005 2HE LYS 2 2HE LYS 2 5.581 -11.026 -17.855 1006 1HZ LYS 2 1HZ LYS 2 6.928 -8.901 -19.438 1007 2HZ LYS 2 2HZ LYS 2 7.374 -9.418 -17.883 1008 3HZ LYS 2 3HZ LYS 2 5.890 -8.629 -18.125 1009 H THR 3 H THR 3 9.492 -14.731 -16.806 1010 HA THR 3 HA THR 3 7.865 -16.754 -15.338 1011 HB THR 3 HB THR 3 9.346 -17.961 -16.888 1012 HG1 THR 3 HG1 THR 3 9.136 -18.997 -14.976 1013 1HG2 THR 3 1HG2 THR 3 11.834 -17.726 -16.575 1014 2HG2 THR 3 2HG2 THR 3 11.519 -16.316 -15.565 1015 3HG2 THR 3 3HG2 THR 3 11.061 -16.300 -17.268 1016 H GLY 4 H GLY 4 8.622 -17.009 -13.050 1017 1HA GLY 4 1HA GLY 4 9.552 -16.220 -11.044 1018 2HA GLY 4 2HA GLY 4 10.754 -15.357 -12.006 1019 H THR 5 H THR 5 9.603 -14.116 -9.731 1020 HA THR 5 HA THR 5 7.767 -12.093 -10.977 1021 HB THR 5 HB THR 5 7.355 -11.808 -8.338 1022 HG1 THR 5 HG1 THR 5 7.623 -13.741 -7.297 1023 1HG2 THR 5 1HG2 THR 5 5.535 -13.552 -8.586 1024 2HG2 THR 5 2HG2 THR 5 6.227 -13.945 -10.159 1025 3HG2 THR 5 3HG2 THR 5 5.574 -12.334 -9.861 1026 H ALA 6 H ALA 6 7.974 -9.929 -9.461 1027 HA ALA 6 HA ALA 6 10.910 -9.314 -9.360 1028 1HB ALA 6 1HB ALA 6 9.860 -7.973 -10.998 1029 2HB ALA 6 2HB ALA 6 9.923 -6.918 -9.585 1030 3HB ALA 6 3HB ALA 6 8.419 -7.739 -10.008 1031 H GLU 7 H GLU 7 7.802 -8.427 -7.700 1032 HA GLU 7 HA GLU 7 7.405 -7.843 -5.450 1033 1HB GLU 7 1HB GLU 7 8.972 -10.088 -5.492 1034 2HB GLU 7 2HB GLU 7 9.982 -8.996 -4.545 1035 1HG GLU 7 1HG GLU 7 8.287 -8.675 -2.909 1036 2HG GLU 7 2HG GLU 7 7.044 -9.369 -3.950 1037 H VAL 8 H VAL 8 8.425 -5.758 -6.928 1038 HA VAL 8 HA VAL 8 10.896 -4.606 -6.053 1039 HB VAL 8 HB VAL 8 8.290 -3.264 -6.872 1040 1HG1 VAL 8 1HG1 VAL 8 9.981 -1.781 -5.701 1041 2HG1 VAL 8 2HG1 VAL 8 9.602 -1.299 -7.355 1042 3HG1 VAL 8 3HG1 VAL 8 11.107 -2.152 -7.006 1043 1HG2 VAL 8 1HG2 VAL 8 10.572 -3.419 -8.748 1044 2HG2 VAL 8 2HG2 VAL 8 8.855 -3.696 -9.039 1045 3HG2 VAL 8 3HG2 VAL 8 9.850 -4.978 -8.349 1046 H SER 9 H SER 9 7.610 -4.413 -4.611 1047 HA SER 9 HA SER 9 8.183 -2.512 -2.549 1048 1HB SER 9 1HB SER 9 6.252 -3.563 -1.395 1049 2HB SER 9 2HB SER 9 5.920 -3.359 -3.113 1050 HG SER 9 HG SER 9 6.585 -5.693 -1.671 1051 H SER 10 H SER 10 8.855 -6.033 -2.718 1052 HA SER 10 HA SER 10 9.632 -6.337 0.058 1053 1HB SER 10 1HB SER 10 9.208 -8.326 -1.174 1054 2HB SER 10 2HB SER 10 10.221 -7.808 -2.520 1055 HG SER 10 HG SER 10 10.979 -8.719 0.049 1056 H ILE 11 H ILE 11 11.686 -5.942 -2.896 1057 HA ILE 11 HA ILE 11 14.145 -5.615 -1.433 1058 HB ILE 11 HB ILE 11 15.026 -4.694 -3.544 1059 1HG1 ILE 11 1HG1 ILE 11 12.164 -4.690 -4.547 1060 2HG1 ILE 11 2HG1 ILE 11 13.006 -3.240 -4.009 1061 1HG2 ILE 11 1HG2 ILE 11 13.418 -7.142 -3.380 1062 2HG2 ILE 11 2HG2 ILE 11 15.036 -6.899 -4.033 1063 3HG2 ILE 11 3HG2 ILE 11 13.624 -6.564 -5.034 1064 1HD1 ILE 11 1HD1 ILE 11 13.530 -3.140 -6.248 1065 2HD1 ILE 11 2HD1 ILE 11 13.445 -4.890 -6.453 1066 3HD1 ILE 11 3HD1 ILE 11 14.862 -4.158 -5.701 1067 H LEU 12 H LEU 12 11.614 -3.252 -2.340 1068 HA LEU 12 HA LEU 12 13.090 -0.868 -1.670 1069 1HB LEU 12 1HB LEU 12 10.708 -1.315 -2.787 1070 2HB LEU 12 2HB LEU 12 10.145 -1.083 -1.132 1071 HG LEU 12 HG LEU 12 11.750 1.028 -1.240 1072 1HD1 LEU 12 1HD1 LEU 12 10.899 0.718 -4.132 1073 2HD1 LEU 12 2HD1 LEU 12 12.530 0.375 -3.552 1074 3HD1 LEU 12 3HD1 LEU 12 11.881 2.011 -3.443 1075 1HD2 LEU 12 1HD2 LEU 12 9.815 2.375 -1.857 1076 2HD2 LEU 12 2HD2 LEU 12 9.266 1.000 -0.899 1077 3HD2 LEU 12 3HD2 LEU 12 9.063 0.991 -2.650 1078 H GLU 13 H GLU 13 11.201 -3.157 0.358 1079 HA GLU 13 HA GLU 13 11.083 -1.612 2.758 1080 1HB GLU 13 1HB GLU 13 9.991 -3.849 2.271 1081 2HB GLU 13 2HB GLU 13 11.558 -4.607 2.554 1082 1HG GLU 13 1HG GLU 13 10.713 -2.728 4.672 1083 2HG GLU 13 2HG GLU 13 9.685 -4.152 4.509 1084 H GLU 14 H GLU 14 13.740 -3.675 1.488 1085 HA GLU 14 HA GLU 14 15.443 -3.521 3.805 1086 1HB GLU 14 1HB GLU 14 15.815 -4.006 0.862 1087 2HB GLU 14 2HB GLU 14 17.249 -3.757 1.860 1088 1HG GLU 14 1HG GLU 14 16.911 -5.696 3.077 1089 2HG GLU 14 2HG GLU 14 15.162 -5.659 2.846 1090 H ARG 15 H ARG 15 15.136 -1.341 0.962 1091 HA ARG 15 HA ARG 15 17.310 0.419 1.636 1092 1HB ARG 15 1HB ARG 15 14.844 0.533 -0.045 1093 2HB ARG 15 2HB ARG 15 15.585 2.078 0.371 1094 1HG ARG 15 1HG ARG 15 16.577 1.330 -1.701 1095 2HG ARG 15 2HG ARG 15 17.788 1.147 -0.431 1096 1HD ARG 15 1HD ARG 15 17.055 -1.271 -0.199 1097 2HD ARG 15 2HD ARG 15 16.078 -1.036 -1.662 1098 HE ARG 15 HE ARG 15 18.077 -0.988 -2.923 1099 1HH1 ARG 15 1HH1 ARG 15 19.492 -2.697 -1.028 1100 2HH1 ARG 15 2HH1 ARG 15 20.849 -1.735 -0.545 1101 1HH2 ARG 15 1HH2 ARG 15 19.478 1.242 -1.679 1102 2HH2 ARG 15 2HH2 ARG 15 20.841 0.496 -0.915 1103 H ILE 16 H ILE 16 13.881 0.408 2.711 1104 HA ILE 16 HA ILE 16 14.118 2.950 4.147 1105 HB ILE 16 HB ILE 16 12.122 0.670 4.435 1106 1HG1 ILE 16 1HG1 ILE 16 11.508 3.196 2.968 1107 2HG1 ILE 16 2HG1 ILE 16 12.549 2.029 2.155 1108 1HG2 ILE 16 1HG2 ILE 16 12.280 2.443 6.289 1109 2HG2 ILE 16 2HG2 ILE 16 10.698 2.220 5.543 1110 3HG2 ILE 16 3HG2 ILE 16 11.706 3.592 5.083 1111 1HD1 ILE 16 1HD1 ILE 16 10.651 0.345 3.055 1112 2HD1 ILE 16 2HD1 ILE 16 10.528 1.162 1.497 1113 3HD1 ILE 16 3HD1 ILE 16 9.677 1.808 2.900 1114 H LEU 17 H LEU 17 14.245 -0.515 5.141 1115 HA LEU 17 HA LEU 17 15.397 0.411 7.756 1116 1HB LEU 17 1HB LEU 17 13.182 -1.364 7.022 1117 2HB LEU 17 2HB LEU 17 14.330 -2.150 8.102 1118 HG LEU 17 HG LEU 17 12.558 -0.993 9.373 1119 1HD1 LEU 17 1HD1 LEU 17 14.295 -0.908 10.825 1120 2HD1 LEU 17 2HD1 LEU 17 14.385 0.800 10.400 1121 3HD1 LEU 17 3HD1 LEU 17 15.425 -0.367 9.586 1122 1HD2 LEU 17 1HD2 LEU 17 12.286 0.804 7.550 1123 2HD2 LEU 17 2HD2 LEU 17 13.665 1.608 8.300 1124 3HD2 LEU 17 3HD2 LEU 17 12.185 1.352 9.224 1125 H GLY 18 H GLY 18 17.574 0.217 6.633 1126 1HA GLY 18 1HA GLY 18 18.356 -2.561 5.938 1127 2HA GLY 18 2HA GLY 18 19.313 -1.113 5.625 1128 H ALA 19 H ALA 19 21.234 -1.774 6.719 1129 HA ALA 19 HA ALA 19 20.934 -2.090 9.689 1130 1HB ALA 19 1HB ALA 19 23.177 -3.383 8.198 1131 2HB ALA 19 2HB ALA 19 21.571 -4.089 8.014 1132 3HB ALA 19 3HB ALA 19 22.298 -3.958 9.615 1133 H ASP 20 H ASP 20 22.542 -0.973 10.944 1134 HA ASP 20 HA ASP 20 24.378 0.799 9.361 1135 1HB ASP 20 1HB ASP 20 22.427 1.818 10.616 1136 2HB ASP 20 2HB ASP 20 23.174 1.247 12.109 1137 H THR 21 H THR 21 26.589 0.752 9.946 1138 HA THR 21 HA THR 21 27.311 -1.023 12.258 1139 HB THR 21 HB THR 21 29.169 -0.433 9.987 1140 HG1 THR 21 HG1 THR 21 28.127 -1.865 8.676 1141 1HG2 THR 21 1HG2 THR 21 28.625 -2.613 11.954 1142 2HG2 THR 21 2HG2 THR 21 30.163 -1.912 11.452 1143 3HG2 THR 21 3HG2 THR 21 29.334 -3.062 10.403 1144 H SER 22 H SER 22 29.745 -0.415 12.973 1145 HA SER 22 HA SER 22 29.869 2.576 13.205 1146 1HB SER 22 1HB SER 22 31.080 0.635 15.156 1147 2HB SER 22 2HB SER 22 30.484 2.268 15.446 1148 HG SER 22 HG SER 22 29.101 0.514 16.195 1149 H VAL 23 H VAL 23 32.339 3.147 13.939 1150 HA VAL 23 HA VAL 23 34.212 1.541 12.238 1151 HB VAL 23 HB VAL 23 33.408 3.532 11.032 1152 1HG1 VAL 23 1HG1 VAL 23 32.764 5.233 12.398 1153 2HG1 VAL 23 2HG1 VAL 23 34.447 5.741 12.266 1154 3HG1 VAL 23 3HG1 VAL 23 33.918 4.794 13.656 1155 1HG2 VAL 23 1HG2 VAL 23 35.495 4.203 10.284 1156 2HG2 VAL 23 2HG2 VAL 23 35.950 2.753 11.178 1157 3HG2 VAL 23 3HG2 VAL 23 36.151 4.342 11.915 1158 H ASP 24 H ASP 24 34.247 0.999 14.919 1159 HA ASP 24 HA ASP 24 36.739 2.363 15.837 1160 1HB ASP 24 1HB ASP 24 34.045 2.216 17.178 1161 2HB ASP 24 2HB ASP 24 35.510 2.345 18.152 1162 H LEU 25 H LEU 25 37.528 0.109 15.078 1163 HA LEU 25 HA LEU 25 37.303 -1.807 17.357 1164 1HB LEU 25 1HB LEU 25 35.769 -2.124 15.191 1165 2HB LEU 25 2HB LEU 25 37.247 -2.841 14.550 1166 HG LEU 25 HG LEU 25 37.322 -4.217 16.722 1167 1HD1 LEU 25 1HD1 LEU 25 35.494 -4.266 18.129 1168 2HD1 LEU 25 2HD1 LEU 25 34.364 -3.826 16.848 1169 3HD1 LEU 25 3HD1 LEU 25 35.382 -2.590 17.589 1170 1HD2 LEU 25 1HD2 LEU 25 36.354 -4.790 14.282 1171 2HD2 LEU 25 2HD2 LEU 25 34.859 -4.950 15.205 1172 3HD2 LEU 25 3HD2 LEU 25 36.260 -5.939 15.617 Start of MODEL 30 1 1H PHE 1 1H PHE 1 -17.738 -39.131 -2.261 2 2H PHE 1 2H PHE 1 -18.967 -37.977 -2.057 3 3H PHE 1 3H PHE 1 -18.969 -38.993 -3.418 4 HA PHE 1 HA PHE 1 -20.606 -39.839 -1.915 5 1HB PHE 1 1HB PHE 1 -18.769 -41.248 -3.154 6 2HB PHE 1 2HB PHE 1 -18.158 -41.550 -1.527 7 HD1 PHE 1 HD1 PHE 1 -20.163 -42.086 0.237 8 HD2 PHE 1 HD2 PHE 1 -20.255 -42.826 -3.993 9 HE1 PHE 1 HE1 PHE 1 -21.912 -43.812 0.577 10 HE2 PHE 1 HE2 PHE 1 -22.003 -44.552 -3.654 11 HZ PHE 1 HZ PHE 1 -22.831 -45.045 -1.369 12 H ALA 2 H ALA 2 -17.374 -39.925 -0.269 13 HA ALA 2 HA ALA 2 -18.747 -39.148 2.268 14 1HB ALA 2 1HB ALA 2 -16.960 -41.038 3.106 15 2HB ALA 2 2HB ALA 2 -17.415 -41.691 1.532 16 3HB ALA 2 3HB ALA 2 -18.653 -41.385 2.751 17 H LYS 3 H LYS 3 -17.040 -37.520 0.539 18 HA LYS 3 HA LYS 3 -14.747 -37.099 2.415 19 1HB LYS 3 1HB LYS 3 -14.780 -37.767 -0.481 20 2HB LYS 3 2HB LYS 3 -13.640 -36.513 0.007 21 1HG LYS 3 1HG LYS 3 -12.881 -38.106 1.852 22 2HG LYS 3 2HG LYS 3 -13.813 -39.356 1.026 23 1HD LYS 3 1HD LYS 3 -11.951 -37.741 -0.646 24 2HD LYS 3 2HD LYS 3 -11.224 -38.901 0.467 25 1HE LYS 3 1HE LYS 3 -13.521 -39.763 -1.284 26 2HE LYS 3 2HE LYS 3 -11.869 -39.726 -1.934 27 1HZ LYS 3 1HZ LYS 3 -11.112 -41.071 -0.115 28 2HZ LYS 3 2HZ LYS 3 -12.426 -41.861 -0.847 29 3HZ LYS 3 3HZ LYS 3 -12.640 -41.034 0.622 30 H LEU 4 H LEU 4 -16.089 -35.239 3.202 31 HA LEU 4 HA LEU 4 -16.209 -32.983 1.223 32 1HB LEU 4 1HB LEU 4 -18.083 -34.148 3.170 33 2HB LEU 4 2HB LEU 4 -17.945 -32.397 3.306 34 HG LEU 4 HG LEU 4 -19.732 -33.019 1.725 35 1HD1 LEU 4 1HD1 LEU 4 -19.217 -31.359 0.227 36 2HD1 LEU 4 2HD1 LEU 4 -17.612 -32.010 -0.106 37 3HD1 LEU 4 3HD1 LEU 4 -17.900 -31.081 1.367 38 1HD2 LEU 4 1HD2 LEU 4 -18.219 -35.138 1.046 39 2HD2 LEU 4 2HD2 LEU 4 -17.759 -34.046 -0.260 40 3HD2 LEU 4 3HD2 LEU 4 -19.452 -34.481 -0.031 41 H VAL 5 H VAL 5 -14.122 -32.054 1.762 42 HA VAL 5 HA VAL 5 -13.995 -30.887 4.517 43 HB VAL 5 HB VAL 5 -11.568 -31.473 4.515 44 1HG1 VAL 5 1HG1 VAL 5 -11.880 -33.760 5.091 45 2HG1 VAL 5 2HG1 VAL 5 -13.216 -33.943 3.955 46 3HG1 VAL 5 3HG1 VAL 5 -13.430 -32.988 5.421 47 1HG2 VAL 5 1HG2 VAL 5 -11.794 -31.704 1.823 48 2HG2 VAL 5 2HG2 VAL 5 -11.957 -33.399 2.279 49 3HG2 VAL 5 3HG2 VAL 5 -10.517 -32.495 2.747 50 H ARG 6 H ARG 6 -12.835 -28.825 4.602 51 HA ARG 6 HA ARG 6 -11.934 -27.698 1.990 52 1HB ARG 6 1HB ARG 6 -14.321 -26.993 3.611 53 2HB ARG 6 2HB ARG 6 -13.380 -25.629 3.005 54 1HG ARG 6 1HG ARG 6 -13.845 -26.105 0.800 55 2HG ARG 6 2HG ARG 6 -13.969 -27.840 1.092 56 1HD ARG 6 1HD ARG 6 -16.201 -27.723 1.633 57 2HD ARG 6 2HD ARG 6 -16.030 -26.135 2.409 58 HE ARG 6 HE ARG 6 -15.960 -26.489 -0.566 59 1HH1 ARG 6 1HH2 ARG 6 -15.231 -23.934 1.118 60 2HH1 ARG 6 2HH2 ARG 6 -16.654 -22.990 0.829 61 1HH2 ARG 6 1HH1 ARG 6 -18.484 -25.651 -0.433 62 2HH2 ARG 6 2HH1 ARG 6 -18.496 -23.962 -0.050 63 HA PRO 7 HA PRO 7 -9.101 -26.482 5.376 64 1HB PRO 7 1HB PRO 7 -6.871 -26.280 3.803 65 2HB PRO 7 2HB PRO 7 -7.435 -27.819 4.485 66 1HG PRO 7 1HG PRO 7 -7.766 -26.733 1.734 67 2HG PRO 7 2HG PRO 7 -7.451 -28.392 2.264 68 1HD PRO 7 1HD PRO 7 -9.909 -27.495 1.489 69 2HD PRO 7 2HD PRO 7 -9.664 -28.833 2.633 70 HA PRO 8 HA PRO 8 -9.340 -22.171 4.398 71 1HB PRO 8 1HB PRO 8 -7.495 -21.152 6.143 72 2HB PRO 8 2HB PRO 8 -9.090 -21.739 6.657 73 1HG PRO 8 1HG PRO 8 -6.437 -23.072 6.830 74 2HG PRO 8 2HG PRO 8 -7.788 -23.089 7.975 75 1HD PRO 8 1HD PRO 8 -7.220 -25.140 6.256 76 2HD PRO 8 2HD PRO 8 -8.842 -24.807 6.901 77 H VAL 9 H VAL 9 -7.811 -20.282 3.683 78 HA VAL 9 HA VAL 9 -5.271 -21.325 2.485 79 HB VAL 9 HB VAL 9 -7.454 -19.696 1.132 80 1HG1 VAL 9 1HG1 VAL 9 -6.004 -20.202 -0.917 81 2HG1 VAL 9 2HG1 VAL 9 -4.734 -20.656 0.218 82 3HG1 VAL 9 3HG1 VAL 9 -5.360 -19.008 0.209 83 1HG2 VAL 9 1HG2 VAL 9 -7.566 -21.770 -0.333 84 2HG2 VAL 9 2HG2 VAL 9 -8.155 -21.993 1.314 85 3HG2 VAL 9 3HG2 VAL 9 -6.553 -22.578 0.864 86 H GLN 10 H GLN 10 -3.557 -19.818 2.630 87 HA GLN 10 HA GLN 10 -4.271 -17.073 3.623 88 1HB GLN 10 1HB GLN 10 -2.982 -19.077 4.968 89 2HB GLN 10 2HB GLN 10 -1.614 -18.234 4.239 90 1HG GLN 10 1HG GLN 10 -1.803 -16.910 6.094 91 2HG GLN 10 2HG GLN 10 -3.045 -16.111 5.130 92 1HE2 GLN 10 1HE2 GLN 10 -2.503 -17.754 8.111 93 2HE2 GLN 10 2HE2 GLN 10 -4.131 -18.004 8.520 94 H ILE 11 H ILE 11 -3.180 -15.328 2.586 95 HA ILE 11 HA ILE 11 -1.965 -14.222 0.909 96 HB ILE 11 HB ILE 11 -0.206 -16.654 1.328 97 1HG1 ILE 11 1HG1 ILE 11 -0.685 -15.400 3.406 98 2HG1 ILE 11 2HG1 ILE 11 0.996 -15.193 2.920 99 1HG2 ILE 11 1HG2 ILE 11 1.443 -14.565 0.695 100 2HG2 ILE 11 2HG2 ILE 11 0.040 -14.216 -0.316 101 3HG2 ILE 11 3HG2 ILE 11 0.871 -15.764 -0.464 102 1HD1 ILE 11 1HD1 ILE 11 0.683 -12.963 2.959 103 2HD1 ILE 11 2HD1 ILE 11 -1.036 -13.176 3.290 104 3HD1 ILE 11 3HD1 ILE 11 -0.459 -13.132 1.625 105 H TYR 12 H TYR 12 -3.023 -14.173 -1.062 106 HA TYR 12 HA TYR 12 -2.625 -16.483 -2.918 107 1HB TYR 12 1HB TYR 12 -5.259 -15.523 -3.376 108 2HB TYR 12 2HB TYR 12 -4.815 -17.074 -2.678 109 HD1 TYR 12 HD1 TYR 12 -4.391 -17.165 -0.143 110 HD2 TYR 12 HD2 TYR 12 -6.403 -13.896 -2.068 111 HE1 TYR 12 HE1 TYR 12 -5.285 -16.448 2.034 112 HE2 TYR 12 HE2 TYR 12 -7.326 -13.185 0.123 113 HH TYR 12 HH TYR 12 -6.159 -14.021 2.966 114 H GLY 13 H GLY 13 -1.044 -14.877 -3.882 115 1HA GLY 13 1HA GLY 13 -1.408 -13.718 -6.173 116 2HA GLY 13 2HA GLY 13 -2.394 -12.593 -5.234 117 H ILE 14 H ILE 14 0.672 -13.017 -6.472 118 HA ILE 14 HA ILE 14 2.549 -12.283 -4.532 119 HB ILE 14 HB ILE 14 2.760 -12.693 -7.080 120 1HG1 ILE 14 1HG1 ILE 14 4.678 -12.265 -5.590 121 2HG1 ILE 14 2HG1 ILE 14 4.921 -11.535 -7.174 122 1HG2 ILE 14 1HG2 ILE 14 2.913 -10.729 -8.507 123 2HG2 ILE 14 2HG2 ILE 14 2.521 -9.674 -7.151 124 3HG2 ILE 14 3HG2 ILE 14 1.310 -10.794 -7.773 125 1HD1 ILE 14 1HD1 ILE 14 5.497 -9.720 -5.893 126 2HD1 ILE 14 2HD1 ILE 14 4.507 -10.236 -4.528 127 3HD1 ILE 14 3HD1 ILE 14 3.755 -9.451 -5.916 128 H GLU 15 H GLU 15 0.087 -10.124 -5.972 129 HA GLU 15 HA GLU 15 1.070 -7.596 -5.089 130 1HB GLU 15 1HB GLU 15 -1.232 -8.526 -6.311 131 2HB GLU 15 2HB GLU 15 -1.841 -8.004 -4.742 132 1HG GLU 15 1HG GLU 15 -0.701 -5.807 -5.082 133 2HG GLU 15 2HG GLU 15 -0.229 -6.338 -6.695 134 H GLY 16 H GLY 16 -0.610 -10.155 -3.216 135 1HA GLY 16 1HA GLY 16 -1.133 -8.624 -0.868 136 2HA GLY 16 2HA GLY 16 -0.886 -10.371 -0.892 137 H ARG 17 H ARG 17 1.840 -10.302 -1.955 138 HA ARG 17 HA ARG 17 3.361 -10.064 0.455 139 1HB ARG 17 1HB ARG 17 4.207 -9.902 -2.462 140 2HB ARG 17 2HB ARG 17 5.327 -10.118 -1.116 141 1HG ARG 17 1HG ARG 17 3.602 -12.095 -0.533 142 2HG ARG 17 2HG ARG 17 3.372 -12.040 -2.282 143 1HD ARG 17 1HD ARG 17 5.195 -13.455 -2.257 144 2HD ARG 17 2HD ARG 17 6.091 -11.927 -2.155 145 HE ARG 17 HE ARG 17 6.172 -12.211 0.291 146 1HH1 ARG 17 1HH2 ARG 17 7.572 -14.633 -0.545 147 2HH1 ARG 17 2HH2 ARG 17 6.695 -15.902 0.244 148 1HH2 ARG 17 1HH1 ARG 17 3.906 -13.941 0.878 149 2HH2 ARG 17 2HH1 ARG 17 4.620 -15.510 1.049 150 H TYR 18 H TYR 18 2.455 -7.536 -1.886 151 HA TYR 18 HA TYR 18 4.477 -5.611 -1.293 152 1HB TYR 18 1HB TYR 18 1.596 -5.505 -2.154 153 2HB TYR 18 2HB TYR 18 2.382 -4.002 -1.697 154 HD1 TYR 18 HD1 TYR 18 2.621 -2.881 -3.746 155 HD2 TYR 18 HD2 TYR 18 3.905 -6.967 -3.413 156 HE1 TYR 18 HE1 TYR 18 3.647 -2.739 -5.994 157 HE2 TYR 18 HE2 TYR 18 4.939 -6.823 -5.662 158 HH TYR 18 HH TYR 18 4.426 -5.247 -7.822 159 H ALA 19 H ALA 19 1.459 -6.393 0.492 160 HA ALA 19 HA ALA 19 1.933 -4.262 2.474 161 1HB ALA 19 1HB ALA 19 0.161 -5.963 3.665 162 2HB ALA 19 2HB ALA 19 -0.069 -6.406 1.974 163 3HB ALA 19 3HB ALA 19 -0.314 -4.737 2.491 164 H THR 20 H THR 20 2.483 -7.811 2.317 165 HA THR 20 HA THR 20 3.469 -7.901 5.062 166 HB THR 20 HB THR 20 4.384 -10.194 3.819 167 HG1 THR 20 HG1 THR 20 2.749 -10.750 2.369 168 1HG2 THR 20 1HG2 THR 20 3.076 -10.155 5.866 169 2HG2 THR 20 2HG2 THR 20 2.245 -11.182 4.697 170 3HG2 THR 20 3HG2 THR 20 1.666 -9.544 5.000 171 H ALA 21 H ALA 21 4.991 -7.328 1.906 172 HA ALA 21 HA ALA 21 7.697 -7.704 3.033 173 1HB ALA 21 1HB ALA 21 6.574 -6.698 0.402 174 2HB ALA 21 2HB ALA 21 7.441 -8.205 0.704 175 3HB ALA 21 3HB ALA 21 8.304 -6.667 0.747 176 H LEU 22 H LEU 22 5.329 -5.123 2.938 177 HA LEU 22 HA LEU 22 7.447 -3.060 3.412 178 1HB LEU 22 1HB LEU 22 5.588 -2.580 1.823 179 2HB LEU 22 2HB LEU 22 4.424 -2.859 3.118 180 HG LEU 22 HG LEU 22 6.170 -1.026 4.256 181 1HD1 LEU 22 1HD1 LEU 22 5.988 0.792 2.336 182 2HD1 LEU 22 2HD1 LEU 22 6.014 -0.629 1.291 183 3HD1 LEU 22 3HD1 LEU 22 7.356 -0.320 2.393 184 1HD2 LEU 22 1HD2 LEU 22 3.947 -0.585 4.663 185 2HD2 LEU 22 2HD2 LEU 22 3.464 -0.938 3.004 186 3HD2 LEU 22 3HD2 LEU 22 4.220 0.606 3.393 187 H TYR 23 H TYR 23 4.573 -4.555 4.980 188 HA TYR 23 HA TYR 23 5.106 -3.106 7.454 189 1HB TYR 23 1HB TYR 23 2.980 -3.710 7.886 190 2HB TYR 23 2HB TYR 23 2.925 -4.448 6.297 191 HD1 TYR 23 HD1 TYR 23 3.979 -5.188 9.809 192 HD2 TYR 23 HD2 TYR 23 2.432 -6.699 6.117 193 HE1 TYR 23 HE1 TYR 23 3.664 -7.398 10.865 194 HE2 TYR 23 HE2 TYR 23 2.155 -8.916 7.128 195 HH TYR 23 HH TYR 23 3.380 -10.153 9.270 196 H SER 24 H SER 24 6.443 -6.004 5.980 197 HA SER 24 HA SER 24 7.067 -7.630 8.224 198 1HB SER 24 1HB SER 24 7.846 -8.536 6.230 199 2HB SER 24 2HB SER 24 8.364 -6.973 5.606 200 HG SER 24 HG SER 24 10.047 -8.536 6.301 201 H ALA 25 H ALA 25 8.645 -4.618 7.085 202 HA ALA 25 HA ALA 25 10.621 -4.587 9.263 203 1HB ALA 25 1HB ALA 25 9.626 -2.650 7.161 204 2HB ALA 25 2HB ALA 25 11.241 -3.338 7.339 205 3HB ALA 25 3HB ALA 25 10.687 -2.085 8.451 206 H ALA 26 H ALA 26 7.430 -3.072 8.562 207 HA ALA 26 HA ALA 26 7.169 -1.445 10.895 208 1HB ALA 26 1HB ALA 26 5.051 -3.087 9.446 209 2HB ALA 26 2HB ALA 26 5.584 -1.472 8.981 210 3HB ALA 26 3HB ALA 26 4.726 -1.713 10.502 211 H SER 27 H SER 27 6.504 -4.957 10.475 212 HA SER 27 HA SER 27 5.327 -5.506 13.030 213 1HB SER 27 1HB SER 27 5.786 -7.756 12.512 214 2HB SER 27 2HB SER 27 5.823 -7.009 10.917 215 HG SER 27 HG SER 27 7.684 -8.150 11.055 216 H LYS 28 H LYS 28 8.794 -5.309 12.075 217 HA LYS 28 HA LYS 28 9.862 -6.025 14.674 218 1HB LYS 28 1HB LYS 28 11.006 -4.308 12.436 219 2HB LYS 28 2HB LYS 28 11.942 -4.968 13.776 220 1HG LYS 28 1HG LYS 28 10.281 -6.886 12.212 221 2HG LYS 28 2HG LYS 28 11.727 -6.248 11.427 222 1HD LYS 28 1HD LYS 28 11.965 -7.215 14.248 223 2HD LYS 28 2HD LYS 28 11.854 -8.416 12.961 224 1HE LYS 28 1HE LYS 28 13.791 -7.460 11.828 225 2HE LYS 28 2HE LYS 28 13.862 -6.136 13.007 226 1HZ LYS 28 1HZ LYS 28 13.960 -9.003 13.764 227 2HZ LYS 28 2HZ LYS 28 14.263 -7.660 14.760 228 3HZ LYS 28 3HZ LYS 28 15.352 -8.064 13.519 229 H GLN 29 H GLN 29 8.945 -2.878 13.192 230 HA GLN 29 HA GLN 29 9.731 -1.428 15.657 231 1HB GLN 29 1HB GLN 29 8.736 -0.725 12.913 232 2HB GLN 29 2HB GLN 29 8.624 0.477 14.199 233 1HG GLN 29 1HG GLN 29 11.008 0.361 14.603 234 2HG GLN 29 2HG GLN 29 11.176 -0.993 13.484 235 1HE2 GLN 29 1HE2 GLN 29 10.999 -0.525 11.137 236 2HE2 GLN 29 2HE2 GLN 29 11.106 1.071 10.569 237 H ASN 30 H ASN 30 7.030 -3.310 14.975 238 HA ASN 30 HA ASN 30 4.916 -3.431 15.973 239 1HB ASN 30 1HB ASN 30 6.457 -2.622 17.925 240 2HB ASN 30 2HB ASN 30 5.702 -1.050 17.656 241 1HD2 ASN 30 1HD2 ASN 30 4.904 -4.487 18.438 242 2HD2 ASN 30 2HD2 ASN 30 3.430 -4.117 19.193 243 H LYS 31 H LYS 31 5.196 -1.938 13.545 244 HA LYS 31 HA LYS 31 3.409 0.420 14.013 245 1HB LYS 31 1HB LYS 31 5.344 -0.390 11.841 246 2HB LYS 31 2HB LYS 31 4.200 0.936 11.621 247 1HG LYS 31 1HG LYS 31 6.018 0.807 14.028 248 2HG LYS 31 2HG LYS 31 6.546 1.540 12.513 249 1HD LYS 31 1HD LYS 31 4.760 3.154 12.582 250 2HD LYS 31 2HD LYS 31 3.999 2.333 13.946 251 1HE LYS 31 1HE LYS 31 6.836 3.260 14.261 252 2HE LYS 31 2HE LYS 31 5.531 4.457 14.372 253 1HZ LYS 31 1HZ LYS 31 4.421 3.113 15.999 254 2HZ LYS 31 2HZ LYS 31 6.018 3.368 16.521 255 3HZ LYS 31 3HZ LYS 31 5.570 1.876 15.843 256 H LEU 32 H LEU 32 2.755 -2.724 13.525 257 HA LEU 32 HA LEU 32 1.378 -3.117 11.100 258 1HB LEU 32 1HB LEU 32 1.027 -4.015 13.951 259 2HB LEU 32 2HB LEU 32 -0.226 -4.437 12.789 260 HG LEU 32 HG LEU 32 1.712 -6.125 13.139 261 1HD1 LEU 32 1HD1 LEU 32 -0.012 -5.788 11.165 262 2HD1 LEU 32 2HD1 LEU 32 1.293 -6.959 11.029 263 3HD1 LEU 32 3HD1 LEU 32 1.440 -5.378 10.258 264 1HD2 LEU 32 1HD2 LEU 32 3.588 -4.551 13.012 265 2HD2 LEU 32 2HD2 LEU 32 3.126 -4.099 11.371 266 3HD2 LEU 32 3HD2 LEU 32 3.698 -5.721 11.715 267 H GLU 33 H GLU 33 0.262 -1.330 14.007 268 HA GLU 33 HA GLU 33 -2.377 -0.736 12.842 269 1HB GLU 33 1HB GLU 33 -0.770 0.314 15.195 270 2HB GLU 33 2HB GLU 33 -2.346 0.986 14.773 271 1HG GLU 33 1HG GLU 33 -2.028 -1.988 15.081 272 2HG GLU 33 2HG GLU 33 -2.216 -0.974 16.513 273 H GLN 34 H GLN 34 0.763 0.975 13.184 274 HA GLN 34 HA GLN 34 -0.020 3.463 11.967 275 1HB GLN 34 1HB GLN 34 2.161 2.677 13.231 276 2HB GLN 34 2HB GLN 34 2.715 2.275 11.605 277 1HG GLN 34 1HG GLN 34 3.410 4.553 12.172 278 2HG GLN 34 2HG GLN 34 2.212 4.596 10.885 279 1HE2 GLN 34 1HE2 GLN 34 2.138 6.982 11.980 280 2HE2 GLN 34 2HE2 GLN 34 0.954 7.154 13.184 281 H VAL 35 H VAL 35 0.864 0.328 10.502 282 HA VAL 35 HA VAL 35 0.795 1.637 7.817 283 HB VAL 35 HB VAL 35 1.501 -1.253 8.315 284 1HG1 VAL 35 1HG1 VAL 35 3.064 -0.785 6.436 285 2HG1 VAL 35 2HG1 VAL 35 2.471 0.876 6.392 286 3HG1 VAL 35 3HG1 VAL 35 1.383 -0.462 6.016 287 1HG2 VAL 35 1HG2 VAL 35 3.108 -0.592 9.812 288 2HG2 VAL 35 2HG2 VAL 35 3.005 1.099 9.321 289 3HG2 VAL 35 3HG2 VAL 35 3.965 -0.039 8.377 290 H GLU 36 H GLU 36 -0.833 -0.981 9.681 291 HA GLU 36 HA GLU 36 -2.483 -1.853 7.449 292 1HB GLU 36 1HB GLU 36 -1.929 -3.050 9.680 293 2HB GLU 36 2HB GLU 36 -3.230 -2.083 10.369 294 1HG GLU 36 1HG GLU 36 -3.742 -3.584 7.826 295 2HG GLU 36 2HG GLU 36 -3.738 -4.472 9.351 296 H LYS 37 H LYS 37 -2.919 0.678 9.946 297 HA LYS 37 HA LYS 37 -5.748 1.071 9.294 298 1HB LYS 37 1HB LYS 37 -4.669 1.598 11.509 299 2HB LYS 37 2HB LYS 37 -3.817 2.930 10.727 300 1HG LYS 37 1HG LYS 37 -5.743 3.936 11.676 301 2HG LYS 37 2HG LYS 37 -6.144 3.738 9.969 302 1HD LYS 37 1HD LYS 37 -7.012 1.361 10.879 303 2HD LYS 37 2HD LYS 37 -7.229 2.314 12.347 304 1HE LYS 37 1HE LYS 37 -8.183 3.529 9.787 305 2HE LYS 37 2HE LYS 37 -9.147 2.210 10.482 306 1HZ LYS 37 1HZ LYS 37 -9.755 4.404 11.396 307 2HZ LYS 37 2HZ LYS 37 -8.175 4.576 11.997 308 3HZ LYS 37 3HZ LYS 37 -9.181 3.341 12.588 309 H GLU 38 H GLU 38 -2.687 2.680 8.287 310 HA GLU 38 HA GLU 38 -4.150 4.739 6.780 311 1HB GLU 38 1HB GLU 38 -1.300 3.840 7.083 312 2HB GLU 38 2HB GLU 38 -1.731 4.895 5.740 313 1HG GLU 38 1HG GLU 38 -1.087 6.313 7.585 314 2HG GLU 38 2HG GLU 38 -2.835 6.437 7.397 315 H LEU 39 H LEU 39 -2.658 1.566 6.012 316 HA LEU 39 HA LEU 39 -2.894 1.665 3.164 317 1HB LEU 39 1HB LEU 39 -2.794 -0.450 5.269 318 2HB LEU 39 2HB LEU 39 -3.404 -0.948 3.691 319 HG LEU 39 HG LEU 39 -0.806 0.563 4.075 320 1HD1 LEU 39 1HD1 LEU 39 -0.760 -1.688 5.158 321 2HD1 LEU 39 2HD1 LEU 39 0.323 -1.580 3.770 322 3HD1 LEU 39 3HD1 LEU 39 -1.226 -2.407 3.616 323 1HD2 LEU 39 1HD2 LEU 39 -1.341 -1.157 1.713 324 2HD2 LEU 39 2HD2 LEU 39 -0.565 0.424 1.802 325 3HD2 LEU 39 3HD2 LEU 39 -2.323 0.303 1.828 326 H LEU 40 H LEU 40 -5.367 0.941 5.677 327 HA LEU 40 HA LEU 40 -7.444 -0.023 3.961 328 1HB LEU 40 1HB LEU 40 -7.253 0.313 6.585 329 2HB LEU 40 2HB LEU 40 -8.049 1.848 6.238 330 HG LEU 40 HG LEU 40 -9.190 -0.600 4.971 331 1HD1 LEU 40 1HD1 LEU 40 -9.650 0.124 7.881 332 2HD1 LEU 40 2HD1 LEU 40 -8.724 -1.271 7.330 333 3HD1 LEU 40 3HD1 LEU 40 -10.451 -1.168 6.987 334 1HD2 LEU 40 1HD2 LEU 40 -10.626 1.625 6.411 335 2HD2 LEU 40 2HD2 LEU 40 -11.190 0.640 5.062 336 3HD2 LEU 40 3HD2 LEU 40 -9.968 1.883 4.795 337 H ARG 41 H ARG 41 -6.375 3.339 4.600 338 HA ARG 41 HA ARG 41 -8.587 4.717 3.416 339 1HB ARG 41 1HB ARG 41 -5.626 5.352 3.613 340 2HB ARG 41 2HB ARG 41 -6.804 6.507 2.987 341 1HG ARG 41 1HG ARG 41 -8.106 6.008 5.194 342 2HG ARG 41 2HG ARG 41 -6.560 5.384 5.770 343 1HD ARG 41 1HD ARG 41 -5.630 7.473 5.907 344 2HD ARG 41 2HD ARG 41 -6.428 8.026 4.420 345 HE ARG 41 HE ARG 41 -8.514 8.290 5.742 346 1HH1 ARG 41 1HH1 ARG 41 -6.489 6.698 7.822 347 2HH1 ARG 41 2HH1 ARG 41 -6.651 7.806 9.143 348 1HH2 ARG 41 1HH2 ARG 41 -8.333 10.197 7.279 349 2HH2 ARG 41 2HH2 ARG 41 -7.695 9.787 8.836 350 H VAL 42 H VAL 42 -5.595 3.408 1.885 351 HA VAL 42 HA VAL 42 -6.125 4.392 -0.766 352 HB VAL 42 HB VAL 42 -4.704 1.863 0.160 353 1HG1 VAL 42 1HG1 VAL 42 -3.774 1.657 -1.966 354 2HG1 VAL 42 2HG1 VAL 42 -4.052 3.351 -2.365 355 3HG1 VAL 42 3HG1 VAL 42 -5.397 2.211 -2.372 356 1HG2 VAL 42 1HG2 VAL 42 -3.447 3.522 1.149 357 2HG2 VAL 42 2HG2 VAL 42 -3.970 4.751 -0.004 358 3HG2 VAL 42 3HG2 VAL 42 -2.735 3.578 -0.464 359 H GLY 43 H GLY 43 -7.216 1.390 0.891 360 1HA GLY 43 1HA GLY 43 -8.460 0.207 -1.403 361 2HA GLY 43 2HA GLY 43 -8.866 -0.156 0.275 362 H GLN 44 H GLN 44 -9.819 2.265 1.234 363 HA GLN 44 HA GLN 44 -12.503 2.373 0.219 364 1HB GLN 44 1HB GLN 44 -10.805 4.240 1.890 365 2HB GLN 44 2HB GLN 44 -12.478 4.635 1.495 366 1HG GLN 44 1HG GLN 44 -12.947 2.186 2.350 367 2HG GLN 44 2HG GLN 44 -11.411 2.401 3.190 368 1HE2 GLN 44 1HE2 GLN 44 -11.334 3.960 4.968 369 2HE2 GLN 44 2HE2 GLN 44 -12.740 4.703 5.559 370 H ILE 45 H ILE 45 -9.625 4.365 -0.582 371 HA ILE 45 HA ILE 45 -10.946 6.346 -2.182 372 HB ILE 45 HB ILE 45 -8.171 5.094 -2.353 373 1HG1 ILE 45 1HG1 ILE 45 -8.832 7.838 -1.319 374 2HG1 ILE 45 2HG1 ILE 45 -9.073 6.433 -0.281 375 1HG2 ILE 45 1HG2 ILE 45 -9.025 7.749 -3.536 376 2HG2 ILE 45 2HG2 ILE 45 -8.910 6.270 -4.488 377 3HG2 ILE 45 3HG2 ILE 45 -7.470 6.938 -3.723 378 1HD1 ILE 45 1HD1 ILE 45 -6.480 6.478 -1.695 379 2HD1 ILE 45 2HD1 ILE 45 -6.839 6.098 -0.011 380 3HD1 ILE 45 3HD1 ILE 45 -6.701 7.778 -0.525 381 H LEU 46 H LEU 46 -9.728 3.084 -3.079 382 HA LEU 46 HA LEU 46 -10.649 3.437 -5.861 383 1HB LEU 46 1HB LEU 46 -8.673 2.057 -5.334 384 2HB LEU 46 2HB LEU 46 -9.667 0.995 -4.339 385 HG LEU 46 HG LEU 46 -10.951 0.281 -6.272 386 1HD1 LEU 46 1HD1 LEU 46 -9.715 1.281 -8.537 387 2HD1 LEU 46 2HD1 LEU 46 -9.754 2.686 -7.472 388 3HD1 LEU 46 3HD1 LEU 46 -11.250 1.854 -7.883 389 1HD2 LEU 46 1HD2 LEU 46 -8.857 -0.404 -7.787 390 2HD2 LEU 46 2HD2 LEU 46 -9.120 -1.122 -6.198 391 3HD2 LEU 46 3HD2 LEU 46 -7.967 0.199 -6.389 392 H LYS 47 H LYS 47 -11.959 2.076 -2.841 393 HA LYS 47 HA LYS 47 -14.130 0.621 -4.145 394 1HB LYS 47 1HB LYS 47 -13.271 0.107 -1.857 395 2HB LYS 47 2HB LYS 47 -13.857 1.676 -1.302 396 1HG LYS 47 1HG LYS 47 -16.119 0.736 -2.442 397 2HG LYS 47 2HG LYS 47 -15.382 -0.791 -1.955 398 1HD LYS 47 1HD LYS 47 -15.579 -0.331 0.284 399 2HD LYS 47 2HD LYS 47 -15.340 1.402 0.056 400 1HE LYS 47 1HE LYS 47 -17.620 1.319 0.605 401 2HE LYS 47 2HE LYS 47 -17.696 1.235 -1.166 402 1HZ LYS 47 1HZ LYS 47 -17.793 -1.121 -1.091 403 2HZ LYS 47 2HZ LYS 47 -18.957 -0.559 0.012 404 3HZ LYS 47 3HZ LYS 47 -17.470 -1.159 0.573 405 H GLU 48 H GLU 48 -13.617 3.967 -2.977 406 HA GLU 48 HA GLU 48 -16.300 4.852 -2.841 407 1HB GLU 48 1HB GLU 48 -13.644 6.065 -3.436 408 2HB GLU 48 2HB GLU 48 -15.057 7.032 -3.857 409 1HG GLU 48 1HG GLU 48 -15.087 5.724 -1.184 410 2HG GLU 48 2HG GLU 48 -13.968 7.072 -1.394 411 HA PRO 49 HA PRO 49 -17.574 4.311 -7.077 412 1HB PRO 49 1HB PRO 49 -19.869 5.801 -7.036 413 2HB PRO 49 2HB PRO 49 -19.750 4.184 -6.313 414 1HG PRO 49 1HG PRO 49 -19.640 6.853 -5.005 415 2HG PRO 49 2HG PRO 49 -20.415 5.358 -4.457 416 1HD PRO 49 1HD PRO 49 -18.027 6.247 -3.497 417 2HD PRO 49 2HD PRO 49 -18.480 4.529 -3.559 418 H LYS 50 H LYS 50 -17.528 7.623 -5.677 419 HA LYS 50 HA LYS 50 -17.416 8.920 -8.315 420 1HB LYS 50 1HB LYS 50 -18.178 9.812 -5.935 421 2HB LYS 50 2HB LYS 50 -16.467 10.205 -5.762 422 1HG LYS 50 1HG LYS 50 -16.864 11.200 -8.225 423 2HG LYS 50 2HG LYS 50 -18.504 11.372 -7.599 424 1HD LYS 50 1HD LYS 50 -17.765 12.724 -5.769 425 2HD LYS 50 2HD LYS 50 -16.072 12.340 -6.083 426 1HE LYS 50 1HE LYS 50 -16.471 13.426 -8.413 427 2HE LYS 50 2HE LYS 50 -17.912 14.140 -7.660 428 1HZ LYS 50 1HZ LYS 50 -16.021 15.582 -7.312 429 2HZ LYS 50 2HZ LYS 50 -15.125 14.307 -6.636 430 3HZ LYS 50 3HZ LYS 50 -16.495 14.908 -5.830 431 H MET 51 H MET 51 -15.064 7.854 -5.851 432 HA MET 51 HA MET 51 -12.771 9.010 -7.301 433 1HB MET 51 1HB MET 51 -12.879 8.838 -4.831 434 2HB MET 51 2HB MET 51 -12.959 7.083 -4.967 435 1HG MET 51 1HG MET 51 -10.695 7.454 -4.585 436 2HG MET 51 2HG MET 51 -10.764 7.331 -6.338 437 1HE MET 51 1HE MET 51 -8.451 8.948 -6.891 438 2HE MET 51 2HE MET 51 -9.343 10.244 -7.683 439 3HE MET 51 3HE MET 51 -9.949 8.592 -7.761 440 H ALA 52 H ALA 52 -14.356 5.807 -7.019 441 HA ALA 52 HA ALA 52 -12.305 4.162 -8.118 442 1HB ALA 52 1HB ALA 52 -14.155 2.968 -7.369 443 2HB ALA 52 2HB ALA 52 -14.487 2.963 -9.100 444 3HB ALA 52 3HB ALA 52 -15.304 4.121 -8.049 445 H ALA 53 H ALA 53 -14.653 6.287 -9.798 446 HA ALA 53 HA ALA 53 -14.178 5.408 -12.476 447 1HB ALA 53 1HB ALA 53 -15.874 7.124 -11.457 448 2HB ALA 53 2HB ALA 53 -15.296 7.383 -13.103 449 3HB ALA 53 3HB ALA 53 -14.605 8.308 -11.771 450 H SER 54 H SER 54 -12.170 7.504 -10.394 451 HA SER 54 HA SER 54 -10.471 8.298 -12.699 452 1HB SER 54 1HB SER 54 -10.289 8.834 -9.713 453 2HB SER 54 2HB SER 54 -9.246 9.567 -10.929 454 HG SER 54 HG SER 54 -10.899 10.982 -10.630 455 H LEU 55 H LEU 55 -10.061 6.371 -9.665 456 HA LEU 55 HA LEU 55 -7.341 5.625 -10.083 457 1HB LEU 55 1HB LEU 55 -9.675 4.548 -8.586 458 2HB LEU 55 2HB LEU 55 -8.357 3.412 -8.876 459 HG LEU 55 HG LEU 55 -6.935 5.594 -8.112 460 1HD1 LEU 55 1HD1 LEU 55 -9.372 5.661 -6.328 461 2HD1 LEU 55 2HD1 LEU 55 -9.193 6.746 -7.706 462 3HD1 LEU 55 3HD1 LEU 55 -8.029 6.803 -6.383 463 1HD2 LEU 55 1HD2 LEU 55 -7.926 3.139 -6.826 464 2HD2 LEU 55 2HD2 LEU 55 -7.500 4.403 -5.673 465 3HD2 LEU 55 3HD2 LEU 55 -6.304 3.828 -6.832 466 H LEU 56 H LEU 56 -10.308 4.290 -11.568 467 HA LEU 56 HA LEU 56 -8.621 2.287 -13.029 468 1HB LEU 56 1HB LEU 56 -10.571 1.489 -11.727 469 2HB LEU 56 2HB LEU 56 -11.626 2.554 -12.652 470 HG LEU 56 HG LEU 56 -9.992 0.874 -14.401 471 1HD1 LEU 56 1HD1 LEU 56 -12.026 -0.603 -12.729 472 2HD1 LEU 56 2HD1 LEU 56 -10.314 -0.594 -12.309 473 3HD1 LEU 56 3HD1 LEU 56 -10.840 -1.271 -13.850 474 1HD2 LEU 56 1HD2 LEU 56 -12.976 0.695 -14.186 475 2HD2 LEU 56 2HD2 LEU 56 -11.959 0.772 -15.626 476 3HD2 LEU 56 3HD2 LEU 56 -12.270 2.233 -14.686 477 H ASN 57 H ASN 57 -8.853 5.303 -13.731 478 HA ASN 57 HA ASN 57 -10.255 5.060 -16.352 479 1HB ASN 57 1HB ASN 57 -10.154 7.024 -14.353 480 2HB ASN 57 2HB ASN 57 -9.173 7.680 -15.660 481 1HD2 ASN 57 1HD2 ASN 57 -10.710 9.232 -16.501 482 2HD2 ASN 57 2HD2 ASN 57 -12.206 8.768 -17.151 483 HA PRO 58 HA PRO 58 -6.194 4.945 -18.200 484 1HB PRO 58 1HB PRO 58 -6.958 5.010 -20.818 485 2HB PRO 58 2HB PRO 58 -7.084 3.552 -19.814 486 1HG PRO 58 1HG PRO 58 -9.193 5.416 -20.707 487 2HG PRO 58 2HG PRO 58 -9.284 3.685 -20.357 488 1HD PRO 58 1HD PRO 58 -10.145 5.748 -18.683 489 2HD PRO 58 2HD PRO 58 -9.886 4.056 -18.211 490 H TYR 59 H TYR 59 -8.273 7.634 -18.110 491 HA TYR 59 HA TYR 59 -6.777 9.310 -20.019 492 1HB TYR 59 1HB TYR 59 -9.045 9.877 -18.074 493 2HB TYR 59 2HB TYR 59 -8.470 10.995 -19.314 494 HD1 TYR 59 HD1 TYR 59 -10.334 7.875 -18.663 495 HD2 TYR 59 HD2 TYR 59 -8.843 10.536 -21.700 496 HE1 TYR 59 HE1 TYR 59 -11.779 6.774 -20.344 497 HE2 TYR 59 HE2 TYR 59 -10.297 9.431 -23.376 498 HH TYR 59 HH TYR 59 -11.377 6.937 -23.512 499 H VAL 60 H VAL 60 -6.492 8.458 -16.634 500 HA VAL 60 HA VAL 60 -5.270 11.054 -15.887 501 HB VAL 60 HB VAL 60 -5.525 8.439 -14.362 502 1HG1 VAL 60 1HG1 VAL 60 -3.904 9.705 -13.222 503 2HG1 VAL 60 2HG1 VAL 60 -5.402 10.167 -12.415 504 3HG1 VAL 60 3HG1 VAL 60 -4.684 11.236 -13.620 505 1HG2 VAL 60 1HG2 VAL 60 -7.744 9.007 -14.573 506 2HG2 VAL 60 2HG2 VAL 60 -7.386 10.704 -14.895 507 3HG2 VAL 60 3HG2 VAL 60 -7.343 10.092 -13.241 508 H LYS 61 H LYS 61 -3.987 8.641 -17.773 509 HA LYS 61 HA LYS 61 -1.802 7.873 -18.180 510 1HB LYS 61 1HB LYS 61 -1.712 10.648 -17.133 511 2HB LYS 61 2HB LYS 61 -0.170 9.794 -17.153 512 1HG LYS 61 1HG LYS 61 -1.845 9.542 -19.596 513 2HG LYS 61 2HG LYS 61 -1.124 11.125 -19.300 514 1HD LYS 61 1HD LYS 61 0.526 8.608 -19.111 515 2HD LYS 61 2HD LYS 61 0.263 9.409 -20.660 516 1HE LYS 61 1HE LYS 61 1.201 11.023 -18.293 517 2HE LYS 61 2HE LYS 61 2.366 10.092 -19.258 518 1HZ LYS 61 1HZ LYS 61 1.952 12.379 -20.114 519 2HZ LYS 61 2HZ LYS 61 0.344 11.928 -20.424 520 3HZ LYS 61 3HZ LYS 61 1.618 11.154 -21.239 521 H ARG 62 H ARG 62 0.544 7.771 -16.842 522 HA ARG 62 HA ARG 62 -0.171 6.438 -14.251 523 1HB ARG 62 1HB ARG 62 0.884 5.072 -16.031 524 2HB ARG 62 2HB ARG 62 2.248 6.188 -16.076 525 1HG ARG 62 1HG ARG 62 2.945 4.366 -14.694 526 2HG ARG 62 2HG ARG 62 2.567 5.689 -13.591 527 1HD ARG 62 1HD ARG 62 1.390 3.962 -12.561 528 2HD ARG 62 2HD ARG 62 0.136 4.551 -13.671 529 HE ARG 62 HE ARG 62 1.722 2.084 -14.015 530 1HH1 ARG 62 1HH1 ARG 62 -1.301 3.110 -14.474 531 2HH1 ARG 62 2HH1 ARG 62 -1.438 2.714 -16.155 532 1HH2 ARG 62 1HH2 ARG 62 1.959 2.151 -16.572 533 2HH2 ARG 62 2HH2 ARG 62 0.407 2.171 -17.342 534 H SER 63 H SER 63 2.478 8.444 -15.697 535 HA SER 63 HA SER 63 3.756 9.095 -13.208 536 1HB SER 63 1HB SER 63 3.585 10.438 -15.911 537 2HB SER 63 2HB SER 63 4.498 11.174 -14.597 538 HG SER 63 HG SER 63 4.885 8.677 -15.868 539 H VAL 64 H VAL 64 1.104 10.753 -14.979 540 HA VAL 64 HA VAL 64 0.881 12.998 -13.165 541 HB VAL 64 HB VAL 64 -1.210 11.633 -14.910 542 1HG1 VAL 64 1HG1 VAL 64 -1.130 14.420 -13.709 543 2HG1 VAL 64 2HG1 VAL 64 -2.231 13.124 -13.240 544 3HG1 VAL 64 3HG1 VAL 64 -2.345 13.840 -14.848 545 1HG2 VAL 64 1HG2 VAL 64 0.061 14.186 -15.725 546 2HG2 VAL 64 2HG2 VAL 64 -0.364 12.779 -16.699 547 3HG2 VAL 64 3HG2 VAL 64 1.120 12.777 -15.747 548 H LYS 65 H LYS 65 -0.691 9.764 -13.218 549 HA LYS 65 HA LYS 65 -2.474 10.182 -11.006 550 1HB LYS 65 1HB LYS 65 -2.279 8.218 -12.694 551 2HB LYS 65 2HB LYS 65 -1.061 7.571 -11.595 552 1HG LYS 65 1HG LYS 65 -2.607 7.320 -9.834 553 2HG LYS 65 2HG LYS 65 -3.766 8.423 -10.576 554 1HD LYS 65 1HD LYS 65 -3.638 6.587 -12.533 555 2HD LYS 65 2HD LYS 65 -3.241 5.551 -11.162 556 1HE LYS 65 1HE LYS 65 -5.359 5.669 -10.311 557 2HE LYS 65 2HE LYS 65 -5.519 7.393 -10.705 558 1HZ LYS 65 1HZ LYS 65 -5.653 6.748 -13.069 559 2HZ LYS 65 2HZ LYS 65 -6.948 6.141 -12.152 560 3HZ LYS 65 3HZ LYS 65 -5.672 5.116 -12.609 561 H VAL 66 H VAL 66 0.962 9.118 -11.077 562 HA VAL 66 HA VAL 66 1.170 8.530 -8.257 563 HB VAL 66 HB VAL 66 3.267 9.524 -10.229 564 1HG1 VAL 66 1HG1 VAL 66 3.469 8.229 -7.500 565 2HG1 VAL 66 2HG1 VAL 66 4.175 9.757 -8.029 566 3HG1 VAL 66 3HG1 VAL 66 4.808 8.231 -8.648 567 1HG2 VAL 66 1HG2 VAL 66 3.430 7.388 -11.023 568 2HG2 VAL 66 2HG2 VAL 66 1.783 7.232 -10.413 569 3HG2 VAL 66 3HG2 VAL 66 3.139 6.671 -9.438 570 H LYS 67 H LYS 67 1.739 11.567 -10.103 571 HA LYS 67 HA LYS 67 2.658 13.148 -7.881 572 1HB LYS 67 1HB LYS 67 1.306 13.728 -10.515 573 2HB LYS 67 2HB LYS 67 1.601 15.040 -9.374 574 1HG LYS 67 1HG LYS 67 4.029 14.121 -9.279 575 2HG LYS 67 2HG LYS 67 3.608 13.278 -10.771 576 1HD LYS 67 1HD LYS 67 3.417 15.231 -11.988 577 2HD LYS 67 2HD LYS 67 2.945 16.185 -10.581 578 1HE LYS 67 1HE LYS 67 5.252 16.120 -9.728 579 2HE LYS 67 2HE LYS 67 5.742 15.114 -11.106 580 1HZ LYS 67 1HZ LYS 67 5.156 16.818 -12.619 581 2HZ LYS 67 2HZ LYS 67 6.087 17.568 -11.412 582 3HZ LYS 67 3HZ LYS 67 4.397 17.739 -11.415 583 H SER 68 H SER 68 -0.664 12.485 -9.086 584 HA SER 68 HA SER 68 -2.057 14.289 -7.341 585 1HB SER 68 1HB SER 68 -3.119 13.133 -9.237 586 2HB SER 68 2HB SER 68 -2.876 11.577 -8.449 587 HG SER 68 HG SER 68 -4.371 12.093 -6.953 588 H LEU 69 H LEU 69 -0.987 10.895 -6.815 589 HA LEU 69 HA LEU 69 -2.242 10.531 -4.252 590 1HB LEU 69 1HB LEU 69 0.020 9.305 -5.769 591 2HB LEU 69 2HB LEU 69 -0.035 8.986 -4.036 592 HG LEU 69 HG LEU 69 -2.422 8.608 -5.858 593 1HD1 LEU 69 1HD1 LEU 69 -0.416 7.136 -6.416 594 2HD1 LEU 69 2HD1 LEU 69 -1.894 6.278 -5.980 595 3HD1 LEU 69 3HD1 LEU 69 -0.591 6.443 -4.804 596 1HD2 LEU 69 1HD2 LEU 69 -2.372 8.857 -3.168 597 2HD2 LEU 69 2HD2 LEU 69 -2.025 7.133 -3.301 598 3HD2 LEU 69 3HD2 LEU 69 -3.504 7.792 -4.001 599 H SER 70 H SER 70 1.035 11.785 -5.086 600 HA SER 70 HA SER 70 1.941 12.177 -2.388 601 1HB SER 70 1HB SER 70 2.633 14.071 -4.632 602 2HB SER 70 2HB SER 70 3.683 13.425 -3.375 603 HG SER 70 HG SER 70 3.764 11.511 -4.420 604 H ASP 71 H ASP 71 0.089 14.352 -4.573 605 HA ASP 71 HA ASP 71 -0.009 16.560 -2.680 606 1HB ASP 71 1HB ASP 71 -1.464 15.773 -5.194 607 2HB ASP 71 2HB ASP 71 -2.077 17.119 -4.233 608 H MET 72 H MET 72 -1.858 13.560 -2.926 609 HA MET 72 HA MET 72 -4.044 14.611 -1.206 610 1HB MET 72 1HB MET 72 -4.325 12.897 -3.099 611 2HB MET 72 2HB MET 72 -3.474 11.750 -2.066 612 1HG MET 72 1HG MET 72 -5.218 12.355 -0.265 613 2HG MET 72 2HG MET 72 -6.140 13.083 -1.582 614 1HE MET 72 1HE MET 72 -4.990 8.764 -0.832 615 2HE MET 72 2HE MET 72 -4.216 10.249 -0.287 616 3HE MET 72 3HE MET 72 -3.874 9.627 -1.900 617 H THR 73 H THR 73 -1.326 12.274 -1.087 618 HA THR 73 HA THR 73 -1.568 11.469 1.644 619 HB THR 73 HB THR 73 0.620 11.669 -0.418 620 HG1 THR 73 HG1 THR 73 -0.635 9.885 -0.510 621 1HG2 THR 73 1HG2 THR 73 1.059 11.234 2.518 622 2HG2 THR 73 2HG2 THR 73 2.020 12.165 1.371 623 3HG2 THR 73 3HG2 THR 73 2.071 10.402 1.337 624 H ALA 74 H ALA 74 -0.057 14.405 0.191 625 HA ALA 74 HA ALA 74 1.229 15.428 2.538 626 1HB ALA 74 1HB ALA 74 0.745 17.685 1.383 627 2HB ALA 74 2HB ALA 74 -0.090 16.744 0.147 628 3HB ALA 74 3HB ALA 74 1.632 16.493 0.433 629 H LYS 75 H LYS 75 -2.188 15.713 1.464 630 HA LYS 75 HA LYS 75 -2.873 17.279 3.900 631 1HB LYS 75 1HB LYS 75 -3.797 17.685 1.547 632 2HB LYS 75 2HB LYS 75 -4.719 16.195 1.752 633 1HG LYS 75 1HG LYS 75 -6.115 17.110 3.337 634 2HG LYS 75 2HG LYS 75 -4.874 18.204 3.949 635 1HD LYS 75 1HD LYS 75 -5.157 19.711 2.121 636 2HD LYS 75 2HD LYS 75 -6.110 18.538 1.210 637 1HE LYS 75 1HE LYS 75 -8.015 18.852 2.543 638 2HE LYS 75 2HE LYS 75 -7.070 19.476 3.911 639 1HZ LYS 75 1HZ LYS 75 -8.239 21.219 2.567 640 2HZ LYS 75 2HZ LYS 75 -7.206 20.830 1.275 641 3HZ LYS 75 3HZ LYS 75 -6.565 21.445 2.723 642 H GLU 76 H GLU 76 -3.279 13.969 2.592 643 HA GLU 76 HA GLU 76 -5.214 13.041 4.509 644 1HB GLU 76 1HB GLU 76 -4.295 11.967 2.322 645 2HB GLU 76 2HB GLU 76 -3.023 11.320 3.357 646 1HG GLU 76 1HG GLU 76 -4.452 9.900 4.460 647 2HG GLU 76 2HG GLU 76 -5.820 11.005 4.326 648 H LYS 77 H LYS 77 -1.782 13.749 4.952 649 HA LYS 77 HA LYS 77 -0.417 13.521 6.849 650 1HB LYS 77 1HB LYS 77 -2.913 14.225 7.711 651 2HB LYS 77 2HB LYS 77 -2.695 12.700 8.568 652 1HG LYS 77 1HG LYS 77 -0.963 13.504 9.848 653 2HG LYS 77 2HG LYS 77 -0.395 14.594 8.582 654 1HD LYS 77 1HD LYS 77 -2.787 15.730 9.081 655 2HD LYS 77 2HD LYS 77 -2.470 15.034 10.670 656 1HE LYS 77 1HE LYS 77 -0.425 16.716 9.187 657 2HE LYS 77 2HE LYS 77 -1.572 17.394 10.361 658 1HZ LYS 77 1HZ LYS 77 0.354 15.183 10.856 659 2HZ LYS 77 2HZ LYS 77 -0.816 15.717 11.967 660 3HZ LYS 77 3HZ LYS 77 0.446 16.752 11.494 661 H PHE 78 H PHE 78 -0.505 11.290 5.170 662 HA PHE 78 HA PHE 78 -1.283 8.803 6.318 663 1HB PHE 78 1HB PHE 78 0.577 9.736 4.222 664 2HB PHE 78 2HB PHE 78 1.028 8.189 4.939 665 HD1 PHE 78 HD1 PHE 78 -1.198 6.702 5.510 666 HD2 PHE 78 HD2 PHE 78 -0.788 9.546 2.318 667 HE1 PHE 78 HE1 PHE 78 -3.033 5.574 4.270 668 HE2 PHE 78 HE2 PHE 78 -2.613 8.413 1.071 669 HZ PHE 78 HZ PHE 78 -3.739 6.427 2.053 670 H SER 79 H SER 79 0.776 7.109 6.797 671 HA SER 79 HA SER 79 1.982 8.242 9.264 672 1HB SER 79 1HB SER 79 1.358 6.244 10.154 673 2HB SER 79 2HB SER 79 0.515 5.924 8.650 674 HG SER 79 HG SER 79 1.901 4.276 8.761 675 HA PRO 80 HA PRO 80 6.059 7.664 7.773 676 1HB PRO 80 1HB PRO 80 7.343 6.009 9.516 677 2HB PRO 80 2HB PRO 80 6.932 7.693 9.888 678 1HG PRO 80 1HG PRO 80 5.547 5.188 10.696 679 2HG PRO 80 2HG PRO 80 5.858 6.659 11.634 680 1HD PRO 80 1HD PRO 80 3.461 6.104 10.506 681 2HD PRO 80 2HD PRO 80 4.049 7.760 10.759 682 H LEU 81 H LEU 81 4.101 4.763 8.110 683 HA LEU 81 HA LEU 81 5.989 3.306 6.302 684 1HB LEU 81 1HB LEU 81 4.040 2.558 8.454 685 2HB LEU 81 2HB LEU 81 4.254 1.429 7.104 686 HG LEU 81 HG LEU 81 6.769 2.534 8.226 687 1HD1 LEU 81 1HD1 LEU 81 5.115 2.039 10.189 688 2HD1 LEU 81 2HD1 LEU 81 6.752 1.388 10.264 689 3HD1 LEU 81 3HD1 LEU 81 5.412 0.350 9.782 690 1HD2 LEU 81 1HD2 LEU 81 7.128 -0.105 8.152 691 2HD2 LEU 81 2HD2 LEU 81 7.158 0.855 6.672 692 3HD2 LEU 81 3HD2 LEU 81 5.702 -0.036 7.114 693 H THR 82 H THR 82 3.810 5.450 5.594 694 HA THR 82 HA THR 82 2.391 3.687 3.661 695 HB THR 82 HB THR 82 0.944 6.065 4.753 696 HG1 THR 82 HG1 THR 82 1.378 3.679 6.275 697 1HG2 THR 82 1HG2 THR 82 -0.653 4.911 3.646 698 2HG2 THR 82 2HG2 THR 82 -0.531 3.648 4.865 699 3HG2 THR 82 3HG2 THR 82 0.426 3.546 3.391 700 H SER 83 H SER 83 4.778 5.747 3.493 701 HA SER 83 HA SER 83 3.589 7.247 1.193 702 1HB SER 83 1HB SER 83 4.687 8.288 3.561 703 2HB SER 83 2HB SER 83 6.008 8.409 2.403 704 HG SER 83 HG SER 83 4.604 10.241 2.382 705 H ASN 84 H ASN 84 4.464 4.747 0.895 706 HA ASN 84 HA ASN 84 6.762 4.985 -0.941 707 1HB ASN 84 1HB ASN 84 6.939 3.941 1.808 708 2HB ASN 84 2HB ASN 84 7.469 2.765 0.606 709 1HD2 ASN 84 1HD2 ASN 84 8.092 6.111 1.789 710 2HD2 ASN 84 2HD2 ASN 84 9.657 6.202 1.141 711 H LEU 85 H LEU 85 4.883 2.559 0.961 712 HA LEU 85 HA LEU 85 4.514 0.660 -1.155 713 1HB LEU 85 1HB LEU 85 4.057 0.154 1.212 714 2HB LEU 85 2HB LEU 85 2.792 1.378 1.262 715 HG LEU 85 HG LEU 85 1.580 0.076 -0.535 716 1HD1 LEU 85 1HD1 LEU 85 2.413 -1.863 -1.397 717 2HD1 LEU 85 2HD1 LEU 85 3.093 -2.375 0.146 718 3HD1 LEU 85 3HD1 LEU 85 3.965 -1.223 -0.862 719 1HD2 LEU 85 1HD2 LEU 85 2.047 -1.725 1.828 720 2HD2 LEU 85 2HD2 LEU 85 0.529 -1.307 1.035 721 3HD2 LEU 85 3HD2 LEU 85 1.332 -0.133 2.077 722 H ILE 86 H ILE 86 2.893 3.801 -0.459 723 HA ILE 86 HA ILE 86 0.581 3.315 -2.136 724 HB ILE 86 HB ILE 86 2.006 5.853 -1.259 725 1HG1 ILE 86 1HG1 ILE 86 -0.521 4.440 -0.334 726 2HG1 ILE 86 2HG1 ILE 86 1.002 4.532 0.550 727 1HG2 ILE 86 1HG2 ILE 86 -0.688 5.546 -2.637 728 2HG2 ILE 86 2HG2 ILE 86 0.746 6.302 -3.333 729 3HG2 ILE 86 3HG2 ILE 86 -0.061 7.048 -1.954 730 1HD1 ILE 86 1HD1 ILE 86 -0.430 6.207 1.497 731 2HD1 ILE 86 2HD1 ILE 86 -0.899 6.798 -0.098 732 3HD1 ILE 86 3HD1 ILE 86 0.740 7.066 0.496 733 H ASN 87 H ASN 87 3.841 4.679 -2.798 734 HA ASN 87 HA ASN 87 3.424 5.471 -5.513 735 1HB ASN 87 1HB ASN 87 5.760 4.542 -3.869 736 2HB ASN 87 2HB ASN 87 5.978 4.692 -5.613 737 1HD2 ASN 87 1HD2 ASN 87 7.435 6.597 -5.273 738 2HD2 ASN 87 2HD2 ASN 87 6.773 8.099 -4.845 739 H LEU 88 H LEU 88 4.564 2.281 -4.257 740 HA LEU 88 HA LEU 88 4.784 0.882 -6.716 741 1HB LEU 88 1HB LEU 88 4.290 0.201 -3.871 742 2HB LEU 88 2HB LEU 88 3.752 -1.021 -5.020 743 HG LEU 88 HG LEU 88 6.069 -0.742 -6.121 744 1HD1 LEU 88 1HD1 LEU 88 7.827 0.145 -4.717 745 2HD1 LEU 88 2HD1 LEU 88 6.701 0.388 -3.381 746 3HD1 LEU 88 3HD1 LEU 88 6.564 1.371 -4.840 747 1HD2 LEU 88 1HD2 LEU 88 7.026 -2.017 -3.885 748 2HD2 LEU 88 2HD2 LEU 88 6.020 -2.787 -5.111 749 3HD2 LEU 88 3HD2 LEU 88 5.284 -2.151 -3.640 750 H LEU 89 H LEU 89 1.846 1.452 -4.725 751 HA LEU 89 HA LEU 89 0.020 -0.114 -6.292 752 1HB LEU 89 1HB LEU 89 -0.328 2.417 -4.648 753 2HB LEU 89 2HB LEU 89 -1.687 1.515 -5.321 754 HG LEU 89 HG LEU 89 0.419 0.308 -3.507 755 1HD1 LEU 89 1HD1 LEU 89 -2.053 1.832 -2.940 756 2HD1 LEU 89 2HD1 LEU 89 -0.682 1.482 -1.889 757 3HD1 LEU 89 3HD1 LEU 89 -1.951 0.279 -2.109 758 1HD2 LEU 89 1HD2 LEU 89 -1.451 -1.452 -3.327 759 2HD2 LEU 89 2HD2 LEU 89 -0.559 -1.392 -4.849 760 3HD2 LEU 89 3HD2 LEU 89 -2.163 -0.669 -4.739 761 H ALA 90 H ALA 90 1.099 3.294 -6.652 762 HA ALA 90 HA ALA 90 -0.365 3.401 -9.264 763 1HB ALA 90 1HB ALA 90 0.901 5.846 -8.229 764 2HB ALA 90 2HB ALA 90 -0.251 5.128 -7.103 765 3HB ALA 90 3HB ALA 90 -0.769 5.576 -8.729 766 H GLU 91 H GLU 91 2.347 2.019 -8.769 767 HA GLU 91 HA GLU 91 4.156 3.830 -10.319 768 1HB GLU 91 1HB GLU 91 4.979 2.739 -8.247 769 2HB GLU 91 2HB GLU 91 4.633 1.158 -8.948 770 1HG GLU 91 1HG GLU 91 6.978 1.576 -9.288 771 2HG GLU 91 2HG GLU 91 6.189 1.780 -10.852 772 H ASN 92 H ASN 92 2.792 0.482 -10.469 773 HA ASN 92 HA ASN 92 3.336 0.553 -13.425 774 1HB ASN 92 1HB ASN 92 3.642 -1.630 -11.351 775 2HB ASN 92 2HB ASN 92 3.612 -1.975 -13.081 776 1HD2 ASN 92 1HD2 ASN 92 5.954 -2.251 -11.170 777 2HD2 ASN 92 2HD2 ASN 92 7.168 -1.260 -11.822 778 H GLY 93 H GLY 93 0.793 1.310 -11.990 779 1HA GLY 93 1HA GLY 93 -1.479 0.984 -12.523 780 2HA GLY 93 2HA GLY 93 -1.013 -0.398 -13.520 781 H ARG 94 H ARG 94 -0.482 0.300 -10.019 782 HA ARG 94 HA ARG 94 -1.647 -2.402 -9.477 783 1HB ARG 94 1HB ARG 94 0.497 -0.697 -8.257 784 2HB ARG 94 2HB ARG 94 -0.312 -1.901 -7.251 785 1HG ARG 94 1HG ARG 94 0.588 -2.797 -9.943 786 2HG ARG 94 2HG ARG 94 1.848 -2.493 -8.746 787 1HD ARG 94 1HD ARG 94 0.731 -4.018 -7.159 788 2HD ARG 94 2HD ARG 94 -0.549 -4.322 -8.351 789 HE ARG 94 HE ARG 94 2.332 -4.950 -8.889 790 1HH1 ARG 94 1HH1 ARG 94 0.503 -5.051 -11.222 791 2HH1 ARG 94 2HH1 ARG 94 -0.002 -6.708 -11.238 792 1HH2 ARG 94 1HH2 ARG 94 1.018 -7.325 -7.981 793 2HH2 ARG 94 2HH2 ARG 94 0.291 -7.996 -9.404 794 H LEU 95 H LEU 95 -3.185 0.318 -9.680 795 HA LEU 95 HA LEU 95 -4.242 0.364 -6.873 796 1HB LEU 95 1HB LEU 95 -3.986 2.336 -9.118 797 2HB LEU 95 2HB LEU 95 -5.337 2.533 -8.001 798 HG LEU 95 HG LEU 95 -2.439 2.266 -7.147 799 1HD1 LEU 95 1HD1 LEU 95 -3.117 4.774 -6.447 800 2HD1 LEU 95 2HD1 LEU 95 -4.134 4.605 -7.879 801 3HD1 LEU 95 3HD1 LEU 95 -2.387 4.397 -8.008 802 1HD2 LEU 95 1HD2 LEU 95 -3.760 1.565 -5.330 803 2HD2 LEU 95 2HD2 LEU 95 -5.058 2.695 -5.717 804 3HD2 LEU 95 3HD2 LEU 95 -3.552 3.289 -5.015 805 H THR 96 H THR 96 -4.909 -1.696 -8.979 806 HA THR 96 HA THR 96 -7.820 -1.106 -9.392 807 HB THR 96 HB THR 96 -6.022 -3.226 -10.634 808 HG1 THR 96 HG1 THR 96 -5.757 -1.848 -12.296 809 1HG2 THR 96 1HG2 THR 96 -7.806 -3.696 -12.095 810 2HG2 THR 96 2HG2 THR 96 -8.631 -2.184 -11.718 811 3HG2 THR 96 3HG2 THR 96 -8.601 -3.491 -10.534 812 H ASN 97 H ASN 97 -5.541 -3.773 -8.521 813 HA ASN 97 HA ASN 97 -7.687 -4.986 -6.831 814 1HB ASN 97 1HB ASN 97 -5.037 -6.017 -7.915 815 2HB ASN 97 2HB ASN 97 -6.148 -6.967 -6.925 816 1HD2 ASN 97 1HD2 ASN 97 -5.752 -5.453 -10.146 817 2HD2 ASN 97 2HD2 ASN 97 -7.043 -6.289 -10.867 818 H THR 98 H THR 98 -6.247 -2.527 -5.973 819 HA THR 98 HA THR 98 -4.080 -3.255 -4.223 820 HB THR 98 HB THR 98 -4.462 -0.992 -5.195 821 HG1 THR 98 HG1 THR 98 -3.711 0.032 -3.395 822 1HG2 THR 98 1HG2 THR 98 -6.726 -0.957 -3.187 823 2HG2 THR 98 2HG2 THR 98 -6.841 -0.727 -4.931 824 3HG2 THR 98 3HG2 THR 98 -6.062 0.497 -3.929 825 HA PRO 99 HA PRO 99 -7.417 -3.118 -0.744 826 1HB PRO 99 1HB PRO 99 -9.796 -4.344 -1.341 827 2HB PRO 99 2HB PRO 99 -9.548 -2.590 -1.446 828 1HG PRO 99 1HG PRO 99 -9.508 -4.639 -3.607 829 2HG PRO 99 2HG PRO 99 -10.211 -3.013 -3.607 830 1HD PRO 99 1HD PRO 99 -7.870 -3.568 -4.786 831 2HD PRO 99 2HD PRO 99 -8.197 -1.998 -4.042 832 H ALA 100 H ALA 100 -7.384 -5.753 -3.185 833 HA ALA 100 HA ALA 100 -7.699 -7.988 -1.424 834 1HB ALA 100 1HB ALA 100 -7.698 -8.305 -3.817 835 2HB ALA 100 2HB ALA 100 -6.286 -9.167 -3.204 836 3HB ALA 100 3HB ALA 100 -6.093 -7.590 -3.972 837 H VAL 101 H VAL 101 -4.764 -6.073 -2.236 838 HA VAL 101 HA VAL 101 -2.893 -7.734 -0.787 839 HB VAL 101 HB VAL 101 -2.841 -4.747 -1.371 840 1HG1 VAL 101 1HG1 VAL 101 -1.140 -5.140 0.232 841 2HG1 VAL 101 2HG1 VAL 101 -0.302 -5.233 -1.318 842 3HG1 VAL 101 3HG1 VAL 101 -0.735 -6.711 -0.458 843 1HG2 VAL 101 1HG2 VAL 101 -1.162 -5.870 -3.166 844 2HG2 VAL 101 2HG2 VAL 101 -2.873 -5.603 -3.501 845 3HG2 VAL 101 3HG2 VAL 101 -2.314 -7.192 -2.981 846 H ILE 102 H ILE 102 -4.862 -4.896 0.208 847 HA ILE 102 HA ILE 102 -3.783 -4.623 2.854 848 HB ILE 102 HB ILE 102 -6.573 -4.070 1.762 849 1HG1 ILE 102 1HG1 ILE 102 -4.550 -1.955 2.362 850 2HG1 ILE 102 2HG1 ILE 102 -4.286 -2.941 0.925 851 1HG2 ILE 102 1HG2 ILE 102 -5.253 -3.411 4.391 852 2HG2 ILE 102 2HG2 ILE 102 -6.885 -4.011 4.094 853 3HG2 ILE 102 3HG2 ILE 102 -6.478 -2.337 3.717 854 1HD1 ILE 102 1HD1 ILE 102 -5.963 -0.714 1.112 855 2HD1 ILE 102 2HD1 ILE 102 -7.070 -2.087 1.144 856 3HD1 ILE 102 3HD1 ILE 102 -5.941 -1.894 -0.198 857 H SER 103 H SER 103 -6.368 -6.786 1.592 858 HA SER 103 HA SER 103 -7.308 -7.772 4.124 859 1HB SER 103 1HB SER 103 -8.383 -8.195 1.905 860 2HB SER 103 2HB SER 103 -7.039 -9.248 1.473 861 HG SER 103 HG SER 103 -7.634 -10.640 3.095 862 H ALA 104 H ALA 104 -4.699 -9.034 1.973 863 HA ALA 104 HA ALA 104 -3.878 -11.227 3.624 864 1HB ALA 104 1HB ALA 104 -1.620 -10.805 2.483 865 2HB ALA 104 2HB ALA 104 -2.364 -9.389 1.742 866 3HB ALA 104 3HB ALA 104 -2.995 -10.999 1.396 867 H PHE 105 H PHE 105 -3.129 -7.735 3.864 868 HA PHE 105 HA PHE 105 -0.988 -7.811 5.746 869 1HB PHE 105 1HB PHE 105 -2.140 -5.830 4.496 870 2HB PHE 105 2HB PHE 105 -3.280 -5.822 5.838 871 HD1 PHE 105 HD1 PHE 105 -2.009 -5.992 8.264 872 HD2 PHE 105 HD2 PHE 105 -0.371 -4.352 4.652 873 HE1 PHE 105 HE1 PHE 105 -0.413 -4.659 9.586 874 HE2 PHE 105 HE2 PHE 105 1.237 -3.029 5.984 875 HZ PHE 105 HZ PHE 105 1.211 -3.190 8.450 876 H SER 106 H SER 106 -4.540 -7.823 6.333 877 HA SER 106 HA SER 106 -4.267 -7.958 9.229 878 1HB SER 106 1HB SER 106 -6.565 -8.837 7.443 879 2HB SER 106 2HB SER 106 -6.671 -8.483 9.164 880 HG SER 106 HG SER 106 -6.291 -6.363 8.752 881 H THR 107 H THR 107 -4.278 -10.444 6.667 882 HA THR 107 HA THR 107 -4.664 -12.636 8.584 883 HB THR 107 HB THR 107 -3.478 -13.039 5.856 884 HG1 THR 107 HG1 THR 107 -5.349 -12.512 4.873 885 1HG2 THR 107 1HG2 THR 107 -5.200 -14.865 5.855 886 2HG2 THR 107 2HG2 THR 107 -5.656 -14.371 7.485 887 3HG2 THR 107 3HG2 THR 107 -4.036 -14.994 7.174 888 H MET 108 H MET 108 -1.822 -11.152 6.911 889 HA MET 108 HA MET 108 -0.034 -13.128 8.183 890 1HB MET 108 1HB MET 108 0.180 -11.483 5.995 891 2HB MET 108 2HB MET 108 1.114 -10.587 7.193 892 1HG MET 108 1HG MET 108 2.810 -11.996 6.555 893 2HG MET 108 2HG MET 108 2.025 -13.109 7.668 894 1HE MET 108 1HE MET 108 2.336 -15.683 6.439 895 2HE MET 108 2HE MET 108 0.663 -15.833 5.909 896 3HE MET 108 3HE MET 108 1.040 -14.918 7.367 897 H MET 109 H MET 109 -1.301 -9.878 8.931 898 HA MET 109 HA MET 109 0.551 -9.105 10.970 899 1HB MET 109 1HB MET 109 -1.232 -7.627 10.133 900 2HB MET 109 2HB MET 109 -2.470 -8.720 10.746 901 1HG MET 109 1HG MET 109 -1.824 -8.270 13.036 902 2HG MET 109 2HG MET 109 -0.423 -7.341 12.509 903 1HE MET 109 1HE MET 109 -3.246 -5.185 14.255 904 2HE MET 109 2HE MET 109 -2.389 -6.702 14.516 905 3HE MET 109 3HE MET 109 -4.036 -6.726 13.893 906 H SER 110 H SER 110 -2.315 -11.325 11.111 907 HA SER 110 HA SER 110 -2.241 -11.774 13.959 908 1HB SER 110 1HB SER 110 -3.030 -13.549 11.623 909 2HB SER 110 2HB SER 110 -3.289 -14.013 13.303 910 HG SER 110 HG SER 110 -5.092 -12.926 12.277 911 H VAL 111 H VAL 111 -0.217 -13.147 11.348 912 HA VAL 111 HA VAL 111 1.027 -15.119 13.137 913 HB VAL 111 HB VAL 111 1.905 -14.062 10.425 914 1HG1 VAL 111 1HG1 VAL 111 3.757 -15.233 11.197 915 2HG1 VAL 111 2HG1 VAL 111 2.837 -16.544 10.457 916 3HG1 VAL 111 3HG1 VAL 111 2.786 -16.308 12.204 917 1HG2 VAL 111 1HG2 VAL 111 0.837 -16.369 9.773 918 2HG2 VAL 111 2HG2 VAL 111 -0.218 -14.976 10.019 919 3HG2 VAL 111 3HG2 VAL 111 -0.045 -16.187 11.290 920 H HIS 112 H HIS 112 1.431 -11.697 12.876 921 HA HIS 112 HA HIS 112 4.305 -11.779 13.502 922 1HB HIS 112 1HB HIS 112 4.259 -9.645 12.695 923 2HB HIS 112 2HB HIS 112 2.661 -10.068 12.104 924 HD1 HIS 112 HD1 HIS 112 0.705 -9.598 14.138 925 HD2 HIS 112 HD2 HIS 112 4.198 -7.393 14.147 926 HE1 HIS 112 HE1 HIS 112 0.251 -7.581 15.585 927 H ARG 113 H ARG 113 1.197 -11.588 15.212 928 HA ARG 113 HA ARG 113 2.472 -10.553 17.682 929 1HB ARG 113 1HB ARG 113 -0.032 -10.368 16.623 930 2HB ARG 113 2HB ARG 113 -0.263 -11.719 17.734 931 1HG ARG 113 1HG ARG 113 0.108 -10.429 19.604 932 2HG ARG 113 2HG ARG 113 1.225 -9.350 18.767 933 1HD ARG 113 1HD ARG 113 -0.458 -7.966 18.028 934 2HD ARG 113 2HD ARG 113 -1.611 -9.303 17.840 935 HE ARG 113 HE ARG 113 -1.796 -9.331 20.347 936 1HH1 ARG 113 1HH2 ARG 113 -2.277 -6.548 18.779 937 2HH1 ARG 113 2HH2 ARG 113 -1.798 -5.472 20.048 938 1HH2 ARG 113 1HH1 ARG 113 -0.377 -7.969 21.989 939 2HH2 ARG 113 2HH1 ARG 113 -0.723 -6.277 21.866 940 H GLY 114 H GLY 114 1.387 -13.713 16.366 941 1HA GLY 114 1HA GLY 114 2.098 -14.979 18.967 942 2HA GLY 114 2HA GLY 114 1.170 -15.747 17.681 943 H GLU 115 H GLU 115 4.254 -13.969 17.220 944 HA GLU 115 HA GLU 115 5.669 -16.557 16.794 945 1HB GLU 115 1HB GLU 115 5.150 -14.368 14.770 946 2HB GLU 115 2HB GLU 115 6.461 -15.529 14.571 947 1HG GLU 115 1HG GLU 115 3.539 -16.266 14.924 948 2HG GLU 115 2HG GLU 115 4.394 -16.239 13.383 949 H VAL 116 H VAL 116 5.993 -14.495 18.883 950 HA VAL 116 HA VAL 116 8.680 -13.400 18.111 951 HB VAL 116 HB VAL 116 6.550 -12.337 20.003 952 1HG1 VAL 116 1HG1 VAL 116 9.142 -11.034 19.123 953 2HG1 VAL 116 2HG1 VAL 116 8.933 -11.851 20.672 954 3HG1 VAL 116 3HG1 VAL 116 7.986 -10.410 20.299 955 1HG2 VAL 116 1HG2 VAL 116 7.418 -11.642 17.199 956 2HG2 VAL 116 2HG2 VAL 116 6.671 -10.425 18.236 957 3HG2 VAL 116 3HG2 VAL 116 5.785 -11.892 17.818 958 HA PRO 117 HA PRO 117 10.137 -15.929 21.455 959 1HB PRO 117 1HB PRO 117 12.532 -14.700 21.954 960 2HB PRO 117 2HB PRO 117 12.257 -15.744 20.545 961 1HG PRO 117 1HG PRO 117 12.283 -12.774 20.725 962 2HG PRO 117 2HG PRO 117 12.904 -13.833 19.450 963 1HD PRO 117 1HD PRO 117 10.540 -12.488 19.269 964 2HD PRO 117 2HD PRO 117 10.866 -14.020 18.430 965 H CYS 118 H CYS 118 10.625 -15.735 23.837 966 HA CYS 118 HA CYS 118 10.099 -13.041 25.008 967 1HB CYS 118 1HB CYS 118 7.988 -14.449 24.637 968 2HB CYS 118 2HB CYS 118 8.632 -15.550 25.856 969 HG CYS 118 HG CYS 118 7.505 -12.735 26.399 970 H THR 119 H THR 119 12.595 -14.552 24.934 971 HA THR 119 HA THR 119 12.870 -15.225 27.847 972 HB THR 119 HB THR 119 14.716 -16.803 26.791 973 HG1 THR 119 HG1 THR 119 14.209 -17.432 24.733 974 1HG2 THR 119 1HG2 THR 119 13.073 -17.954 27.928 975 2HG2 THR 119 2HG2 THR 119 12.678 -18.448 26.283 976 3HG2 THR 119 3HG2 THR 119 11.764 -17.155 27.058 977 H VAL 120 H VAL 120 13.382 -12.593 26.713 978 HA VAL 120 HA VAL 120 16.343 -12.461 27.133 979 HB VAL 120 HB VAL 120 14.719 -11.091 24.957 980 1HG1 VAL 120 1HG1 VAL 120 17.168 -10.599 24.172 981 2HG1 VAL 120 2HG1 VAL 120 17.581 -10.879 25.864 982 3HG1 VAL 120 3HG1 VAL 120 16.456 -9.591 25.431 983 1HG2 VAL 120 1HG2 VAL 120 14.984 -13.272 24.170 984 2HG2 VAL 120 2HG2 VAL 120 16.504 -13.506 25.031 985 3HG2 VAL 120 3HG2 VAL 120 16.461 -12.517 23.573 986 1H GLN 1 1H GLN 1 3.565 -18.767 -20.597 987 2H GLN 1 2H GLN 1 2.741 -19.323 -19.220 988 3H GLN 1 3H GLN 1 3.933 -20.290 -19.948 989 HA GLN 1 HA GLN 1 4.731 -19.195 -17.892 990 1HB GLN 1 1HB GLN 1 5.940 -19.768 -20.219 991 2HB GLN 1 2HB GLN 1 6.205 -18.024 -20.211 992 1HG GLN 1 1HG GLN 1 6.940 -18.476 -17.705 993 2HG GLN 1 2HG GLN 1 7.233 -20.105 -18.317 994 1HE2 GLN 1 1HE2 GLN 1 9.617 -19.800 -18.120 995 2HE2 GLN 1 2HE2 GLN 1 10.442 -18.810 -19.225 996 H LYS 2 H LYS 2 4.717 -17.273 -16.678 997 HA LYS 2 HA LYS 2 3.957 -14.756 -18.131 998 1HB LYS 2 1HB LYS 2 2.982 -16.119 -15.662 999 2HB LYS 2 2HB LYS 2 3.040 -14.356 -15.631 1000 1HG LYS 2 1HG LYS 2 1.802 -14.403 -17.859 1001 2HG LYS 2 2HG LYS 2 1.532 -16.121 -17.571 1002 1HD LYS 2 1HD LYS 2 0.874 -14.370 -15.280 1003 2HD LYS 2 2HD LYS 2 -0.145 -14.142 -16.701 1004 1HE LYS 2 1HE LYS 2 -1.099 -15.877 -15.209 1005 2HE LYS 2 2HE LYS 2 -0.590 -16.598 -16.749 1006 1HZ LYS 2 1HZ LYS 2 1.211 -16.413 -14.401 1007 2HZ LYS 2 2HZ LYS 2 1.417 -17.345 -15.808 1008 3HZ LYS 2 3HZ LYS 2 0.220 -17.761 -14.677 1009 H THR 3 H THR 3 4.615 -12.743 -16.694 1010 HA THR 3 HA THR 3 7.332 -13.269 -15.526 1011 HB THR 3 HB THR 3 6.483 -10.609 -16.609 1012 HG1 THR 3 HG1 THR 3 6.754 -11.276 -18.676 1013 1HG2 THR 3 1HG2 THR 3 8.769 -11.318 -15.561 1014 2HG2 THR 3 2HG2 THR 3 8.772 -10.351 -17.036 1015 3HG2 THR 3 3HG2 THR 3 9.050 -12.090 -17.123 1016 H GLY 4 H GLY 4 4.689 -10.786 -15.398 1017 1HA GLY 4 1HA GLY 4 3.802 -9.632 -13.564 1018 2HA GLY 4 2HA GLY 4 4.290 -11.012 -12.580 1019 H THR 5 H THR 5 5.278 -9.947 -10.821 1020 HA THR 5 HA THR 5 7.526 -8.077 -11.503 1021 HB THR 5 HB THR 5 7.031 -7.123 -9.249 1022 HG1 THR 5 HG1 THR 5 5.388 -7.931 -8.071 1023 1HG2 THR 5 1HG2 THR 5 5.839 -6.457 -11.460 1024 2HG2 THR 5 2HG2 THR 5 5.138 -5.908 -9.937 1025 3HG2 THR 5 3HG2 THR 5 4.443 -7.293 -10.779 1026 H ALA 6 H ALA 6 9.021 -8.062 -9.250 1027 HA ALA 6 HA ALA 6 9.582 -10.940 -8.604 1028 1HB ALA 6 1HB ALA 6 12.027 -9.688 -8.553 1029 2HB ALA 6 2HB ALA 6 11.208 -8.804 -9.842 1030 3HB ALA 6 3HB ALA 6 11.389 -10.555 -9.950 1031 H GLU 7 H GLU 7 8.029 -9.144 -6.918 1032 HA GLU 7 HA GLU 7 7.960 -8.349 -4.698 1033 1HB GLU 7 1HB GLU 7 10.421 -10.128 -4.544 1034 2HB GLU 7 2HB GLU 7 9.469 -9.575 -3.167 1035 1HG GLU 7 1HG GLU 7 7.495 -10.748 -4.025 1036 2HG GLU 7 2HG GLU 7 8.399 -11.260 -5.451 1037 H VAL 8 H VAL 8 9.148 -6.540 -6.504 1038 HA VAL 8 HA VAL 8 11.776 -5.627 -5.813 1039 HB VAL 8 HB VAL 8 9.343 -4.035 -6.719 1040 1HG1 VAL 8 1HG1 VAL 8 11.465 -2.751 -7.787 1041 2HG1 VAL 8 2HG1 VAL 8 12.212 -3.356 -6.308 1042 3HG1 VAL 8 3HG1 VAL 8 10.788 -2.321 -6.216 1043 1HG2 VAL 8 1HG2 VAL 8 10.874 -4.328 -8.920 1044 2HG2 VAL 8 2HG2 VAL 8 9.626 -5.493 -8.478 1045 3HG2 VAL 8 3HG2 VAL 8 11.313 -5.814 -8.075 1046 H SER 9 H SER 9 8.592 -4.842 -4.342 1047 HA SER 9 HA SER 9 9.481 -2.816 -2.525 1048 1HB SER 9 1HB SER 9 7.386 -3.102 -1.535 1049 2HB SER 9 2HB SER 9 7.101 -3.873 -3.093 1050 HG SER 9 HG SER 9 6.559 -5.047 -1.028 1051 H SER 10 H SER 10 9.682 -6.389 -2.295 1052 HA SER 10 HA SER 10 10.507 -6.485 0.481 1053 1HB SER 10 1HB SER 10 9.716 -8.468 -0.718 1054 2HB SER 10 2HB SER 10 11.028 -8.327 -1.885 1055 HG SER 10 HG SER 10 11.279 -9.850 -0.034 1056 H ILE 11 H ILE 11 12.493 -6.725 -2.537 1057 HA ILE 11 HA ILE 11 15.021 -6.549 -1.170 1058 HB ILE 11 HB ILE 11 14.693 -7.319 -3.525 1059 1HG1 ILE 11 1HG1 ILE 11 16.553 -4.932 -3.350 1060 2HG1 ILE 11 2HG1 ILE 11 16.915 -6.519 -2.667 1061 1HG2 ILE 11 1HG2 ILE 11 14.539 -5.537 -5.296 1062 2HG2 ILE 11 2HG2 ILE 11 14.181 -4.374 -4.022 1063 3HG2 ILE 11 3HG2 ILE 11 13.077 -5.712 -4.330 1064 1HD1 ILE 11 1HD1 ILE 11 16.227 -7.271 -5.165 1065 2HD1 ILE 11 2HD1 ILE 11 17.880 -6.839 -4.725 1066 3HD1 ILE 11 3HD1 ILE 11 16.840 -5.654 -5.513 1067 H LEU 12 H LEU 12 12.802 -3.996 -2.348 1068 HA LEU 12 HA LEU 12 14.640 -1.789 -1.958 1069 1HB LEU 12 1HB LEU 12 12.359 -1.900 -3.207 1070 2HB LEU 12 2HB LEU 12 11.638 -1.633 -1.619 1071 HG LEU 12 HG LEU 12 13.492 0.312 -1.561 1072 1HD1 LEU 12 1HD1 LEU 12 12.725 0.063 -4.486 1073 2HD1 LEU 12 2HD1 LEU 12 14.324 -0.289 -3.830 1074 3HD1 LEU 12 3HD1 LEU 12 13.688 1.354 -3.768 1075 1HD2 LEU 12 1HD2 LEU 12 11.161 0.752 -1.177 1076 2HD2 LEU 12 2HD2 LEU 12 10.749 0.359 -2.845 1077 3HD2 LEU 12 3HD2 LEU 12 11.661 1.824 -2.485 1078 H GLU 13 H GLU 13 12.317 -3.447 0.229 1079 HA GLU 13 HA GLU 13 12.439 -1.612 2.422 1080 1HB GLU 13 1HB GLU 13 11.890 -4.538 2.066 1081 2HB GLU 13 2HB GLU 13 12.121 -3.940 3.709 1082 1HG GLU 13 1HG GLU 13 10.392 -2.128 2.265 1083 2HG GLU 13 2HG GLU 13 9.772 -3.770 2.118 1084 H GLU 14 H GLU 14 14.651 -4.305 1.538 1085 HA GLU 14 HA GLU 14 16.273 -4.272 3.902 1086 1HB GLU 14 1HB GLU 14 16.284 -5.899 1.905 1087 2HB GLU 14 2HB GLU 14 17.309 -4.719 1.088 1088 1HG GLU 14 1HG GLU 14 18.895 -4.827 3.019 1089 2HG GLU 14 2HG GLU 14 17.902 -6.106 3.718 1090 H ARG 15 H ARG 15 16.460 -2.248 0.940 1091 HA ARG 15 HA ARG 15 18.938 -0.923 1.614 1092 1HB ARG 15 1HB ARG 15 16.545 -0.105 -0.066 1093 2HB ARG 15 2HB ARG 15 18.040 0.830 0.002 1094 1HG ARG 15 1HG ARG 15 19.068 -1.623 -0.488 1095 2HG ARG 15 2HG ARG 15 17.504 -1.794 -1.286 1096 1HD ARG 15 1HD ARG 15 18.023 -0.261 -2.920 1097 2HD ARG 15 2HD ARG 15 18.981 0.742 -1.813 1098 HE ARG 15 HE ARG 15 19.951 -1.854 -2.952 1099 1HH1 ARG 15 1HH2 ARG 15 20.926 0.793 -4.042 1100 2HH1 ARG 15 2HH2 ARG 15 22.413 0.998 -3.177 1101 1HH2 ARG 15 1HH1 ARG 15 21.655 -1.387 -0.778 1102 2HH2 ARG 15 2HH1 ARG 15 22.826 -0.236 -1.330 1103 H ILE 16 H ILE 16 15.543 -0.213 2.532 1104 HA ILE 16 HA ILE 16 16.437 2.259 3.926 1105 HB ILE 16 HB ILE 16 14.043 2.677 4.221 1106 1HG1 ILE 16 1HG1 ILE 16 13.439 0.076 2.805 1107 2HG1 ILE 16 2HG1 ILE 16 13.524 0.156 4.563 1108 1HG2 ILE 16 1HG2 ILE 16 15.175 3.099 2.002 1109 2HG2 ILE 16 2HG2 ILE 16 13.426 2.893 1.909 1110 3HG2 ILE 16 3HG2 ILE 16 14.497 1.571 1.440 1111 1HD1 ILE 16 1HD1 ILE 16 11.297 0.655 4.323 1112 2HD1 ILE 16 2HD1 ILE 16 11.517 1.332 2.710 1113 3HD1 ILE 16 3HD1 ILE 16 11.944 2.284 4.131 1114 H LEU 17 H LEU 17 15.349 -1.049 4.738 1115 HA LEU 17 HA LEU 17 15.610 -0.325 7.639 1116 1HB LEU 17 1HB LEU 17 13.529 -1.471 6.251 1117 2HB LEU 17 2HB LEU 17 14.370 -2.894 6.863 1118 HG LEU 17 HG LEU 17 12.670 -2.156 8.470 1119 1HD1 LEU 17 1HD1 LEU 17 15.189 -2.867 9.088 1120 2HD1 LEU 17 2HD1 LEU 17 13.986 -2.481 10.319 1121 3HD1 LEU 17 3HD1 LEU 17 15.163 -1.265 9.826 1122 1HD2 LEU 17 1HD2 LEU 17 13.210 0.368 7.630 1123 2HD2 LEU 17 2HD2 LEU 17 14.122 0.344 9.140 1124 3HD2 LEU 17 3HD2 LEU 17 12.389 0.010 9.150 1125 H GLY 18 H GLY 18 17.628 -0.968 8.423 1126 1HA GLY 18 1HA GLY 18 18.871 -3.399 7.219 1127 2HA GLY 18 2HA GLY 18 19.748 -2.142 8.092 1128 H ALA 19 H ALA 19 19.976 -4.917 8.796 1129 HA ALA 19 HA ALA 19 18.480 -4.999 11.399 1130 1HB ALA 19 1HB ALA 19 17.925 -6.761 9.748 1131 2HB ALA 19 2HB ALA 19 18.716 -7.451 11.165 1132 3HB ALA 19 3HB ALA 19 19.626 -7.219 9.671 1133 H ASP 20 H ASP 20 20.170 -3.817 12.587 1134 HA ASP 20 HA ASP 20 22.687 -5.413 12.943 1135 1HB ASP 20 1HB ASP 20 22.746 -3.221 11.547 1136 2HB ASP 20 2HB ASP 20 22.521 -2.402 13.093 1137 H THR 21 H THR 21 22.271 -6.300 15.016 1138 HA THR 21 HA THR 21 22.098 -4.383 17.260 1139 HB THR 21 HB THR 21 19.763 -4.676 16.530 1140 HG1 THR 21 HG1 THR 21 20.012 -4.479 18.714 1141 1HG2 THR 21 1HG2 THR 21 18.884 -6.666 15.909 1142 2HG2 THR 21 2HG2 THR 21 19.545 -7.489 17.320 1143 3HG2 THR 21 3HG2 THR 21 20.546 -7.257 15.887 1144 H SER 22 H SER 22 22.758 -5.369 19.291 1145 HA SER 22 HA SER 22 23.583 -8.247 19.105 1146 1HB SER 22 1HB SER 22 25.641 -7.451 20.385 1147 2HB SER 22 2HB SER 22 25.538 -6.905 18.715 1148 HG SER 22 HG SER 22 25.005 -5.489 21.101 1149 H VAL 23 H VAL 23 22.806 -9.422 20.868 1150 HA VAL 23 HA VAL 23 22.502 -8.063 23.492 1151 HB VAL 23 HB VAL 23 20.128 -8.805 23.633 1152 1HG1 VAL 23 1HG1 VAL 23 20.849 -6.528 22.740 1153 2HG1 VAL 23 2HG1 VAL 23 19.231 -7.055 22.277 1154 3HG1 VAL 23 3HG1 VAL 23 20.560 -7.172 21.124 1155 1HG2 VAL 23 1HG2 VAL 23 19.055 -9.407 21.383 1156 2HG2 VAL 23 2HG2 VAL 23 20.036 -10.662 22.135 1157 3HG2 VAL 23 3HG2 VAL 23 20.688 -9.714 20.800 1158 H ASP 24 H ASP 24 23.477 -9.479 24.936 1159 HA ASP 24 HA ASP 24 22.764 -12.356 24.833 1160 1HB ASP 24 1HB ASP 24 24.889 -11.505 23.381 1161 2HB ASP 24 2HB ASP 24 25.678 -11.778 24.935 1162 H LEU 25 H LEU 25 23.138 -13.410 26.894 1163 HA LEU 25 HA LEU 25 23.340 -13.465 29.243 1164 1HB LEU 25 1HB LEU 25 25.664 -11.925 28.158 1165 2HB LEU 25 2HB LEU 25 25.454 -11.974 29.908 1166 HG LEU 25 HG LEU 25 25.164 -14.566 28.483 1167 1HD1 LEU 25 1HD1 LEU 25 27.640 -12.908 28.435 1168 2HD1 LEU 25 2HD1 LEU 25 27.085 -14.134 27.294 1169 3HD1 LEU 25 3HD1 LEU 25 27.830 -14.619 28.817 1170 1HD2 LEU 25 1HD2 LEU 25 26.503 -13.599 31.027 1171 2HD2 LEU 25 2HD2 LEU 25 26.511 -15.281 30.495 1172 3HD2 LEU 25 3HD2 LEU 25 24.986 -14.490 30.897
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