NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
596416 | 2n79 | 25797 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 HT1 MET 1 64.406 -18.961 -5.740 2 H2 MET 1 HT2 MET 1 63.765 -17.428 -6.094 3 H3 MET 1 HT3 MET 1 64.138 -17.836 -4.491 4 HA MET 1 HA MET 1 66.496 -17.945 -5.021 5 HB2 MET 1 HB2 MET 1 65.350 -17.353 -7.764 6 HB3 MET 1 HB1 MET 1 67.052 -17.095 -7.386 7 HG2 MET 1 HG2 MET 1 65.526 -19.709 -7.271 8 HG3 MET 1 HG1 MET 1 66.862 -19.302 -8.343 9 HE1 MET 1 HE1 MET 1 66.444 -21.747 -6.749 10 HE2 MET 1 HE2 MET 1 66.056 -21.257 -5.098 11 HE3 MET 1 HE3 MET 1 67.589 -22.056 -5.439 12 H ASP 2 HN ASP 2 64.971 -15.443 -7.074 13 HA ASP 2 HA ASP 2 66.030 -13.355 -5.213 14 HB2 ASP 2 HB2 ASP 2 66.046 -11.955 -7.163 15 HB3 ASP 2 HB1 ASP 2 66.651 -13.523 -7.686 16 H ASP 3 HN ASP 3 63.060 -14.751 -6.371 17 HA ASP 3 HA ASP 3 61.217 -12.618 -6.175 18 HB2 ASP 3 HB2 ASP 3 59.589 -14.477 -5.744 19 HB3 ASP 3 HB1 ASP 3 60.687 -14.822 -7.077 20 H ILE 4 HN ILE 4 62.796 -14.429 -3.588 21 HA ILE 4 HA ILE 4 61.074 -13.897 -1.412 22 HB ILE 4 HB ILE 4 63.199 -14.109 -0.073 23 HG12 ILE 4 HG12 ILE 4 64.526 -14.244 -2.804 24 HG13 ILE 4 HG11 ILE 4 64.631 -12.858 -1.720 25 HG21 ILE 4 HG21 ILE 4 63.547 -16.177 -2.151 26 HG22 ILE 4 HG22 ILE 4 61.892 -15.993 -1.568 27 HG23 ILE 4 HG23 ILE 4 63.193 -16.354 -0.432 28 HD11 ILE 4 HD11 ILE 4 65.404 -15.631 -0.808 29 HD12 ILE 4 HD12 ILE 4 65.835 -14.082 -0.086 30 HD13 ILE 4 HD13 ILE 4 66.556 -14.570 -1.619 31 H TYR 5 HN TYR 5 63.430 -11.757 -3.004 32 HA TYR 5 HA TYR 5 63.177 -9.605 -1.035 33 HB2 TYR 5 HB2 TYR 5 64.234 -9.692 -3.889 34 HB3 TYR 5 HB1 TYR 5 64.480 -8.360 -2.763 35 HD1 TYR 5 HD1 TYR 5 65.167 -9.450 -0.257 36 HD2 TYR 5 HD2 TYR 5 66.154 -10.988 -4.142 37 HE1 TYR 5 HE1 TYR 5 67.118 -10.633 0.707 38 HE2 TYR 5 HE2 TYR 5 68.112 -12.173 -3.170 39 HH TYR 5 HH TYR 5 68.552 -13.035 -0.421 40 H LYS 6 HN LYS 6 61.967 -10.163 -4.359 41 HA LYS 6 HA LYS 6 60.409 -7.801 -4.678 42 HB2 LYS 6 HB2 LYS 6 61.074 -9.637 -6.347 43 HB3 LYS 6 HB1 LYS 6 59.723 -10.574 -5.703 44 HG2 LYS 6 HG2 LYS 6 58.759 -7.945 -6.224 45 HG3 LYS 6 HG1 LYS 6 59.665 -8.463 -7.644 46 HD2 LYS 6 HD2 LYS 6 57.972 -9.801 -8.259 47 HD3 LYS 6 HD1 LYS 6 58.089 -10.676 -6.731 48 HE2 LYS 6 HE2 LYS 6 56.418 -9.401 -5.716 49 HE3 LYS 6 HE1 LYS 6 56.720 -7.998 -6.759 50 HZ1 LYS 6 HZ1 LYS 6 55.631 -10.600 -7.698 51 HZ2 LYS 6 HZ2 LYS 6 55.850 -9.197 -8.634 52 HZ3 LYS 6 HZ3 LYS 6 54.692 -9.219 -7.389 53 H ALA 7 HN ALA 7 59.560 -10.970 -3.244 54 HA ALA 7 HA ALA 7 56.781 -10.368 -2.772 55 HB1 ALA 7 HB1 ALA 7 56.983 -12.349 -1.239 56 HB2 ALA 7 HB2 ALA 7 58.731 -12.306 -1.472 57 HB3 ALA 7 HB3 ALA 7 57.667 -12.642 -2.837 58 H ALA 8 HN ALA 8 59.720 -9.960 -0.772 59 HA ALA 8 HA ALA 8 58.484 -9.201 1.691 60 HB1 ALA 8 HB1 ALA 8 61.049 -8.106 0.475 61 HB2 ALA 8 HB2 ALA 8 60.928 -9.710 1.203 62 HB3 ALA 8 HB3 ALA 8 60.670 -8.272 2.191 63 H VAL 9 HN VAL 9 59.563 -7.145 -1.043 64 HA VAL 9 HA VAL 9 58.655 -4.651 0.038 65 HB VAL 9 HB VAL 9 59.332 -5.794 -2.655 66 HG11 VAL 9 HG11 VAL 9 57.504 -4.342 -3.249 67 HG12 VAL 9 HG12 VAL 9 58.999 -3.480 -3.611 68 HG13 VAL 9 HG13 VAL 9 58.080 -3.080 -2.157 69 HG21 VAL 9 HG21 VAL 9 61.108 -5.065 -1.112 70 HG22 VAL 9 HG22 VAL 9 60.376 -3.464 -1.014 71 HG23 VAL 9 HG23 VAL 9 61.061 -4.030 -2.540 72 H GLU 10 HN GLU 10 57.007 -7.127 -1.918 73 HA GLU 10 HA GLU 10 54.572 -5.613 -2.349 74 HB2 GLU 10 HB2 GLU 10 55.455 -8.499 -2.512 75 HB3 GLU 10 HB1 GLU 10 53.763 -8.072 -2.767 76 HG2 GLU 10 HG2 GLU 10 55.486 -6.274 -4.254 77 HG3 GLU 10 HG1 GLU 10 55.848 -7.949 -4.667 78 H GLN 11 HN GLN 11 55.622 -8.033 0.053 79 HA GLN 11 HA GLN 11 53.132 -8.190 1.509 80 HB2 GLN 11 HB2 GLN 11 56.010 -8.930 1.900 81 HB3 GLN 11 HB1 GLN 11 54.974 -8.914 3.328 82 HG2 GLN 11 HG2 GLN 11 53.656 -10.651 2.565 83 HG3 GLN 11 HG1 GLN 11 53.955 -10.273 0.868 84 HE21 GLN 11 HE21 GLN 11 55.776 -11.451 3.770 85 HE22 GLN 11 HE22 GLN 11 56.781 -12.490 2.884 86 H LEU 12 HN LEU 12 55.899 -5.989 1.644 87 HA LEU 12 HA LEU 12 55.462 -4.798 4.198 88 HB2 LEU 12 HB2 LEU 12 56.679 -3.946 1.575 89 HB3 LEU 12 HB1 LEU 12 56.587 -2.802 2.912 90 HG LEU 12 HG LEU 12 57.896 -5.545 3.028 91 HD11 LEU 12 HD11 LEU 12 59.456 -4.304 1.861 92 HD12 LEU 12 HD12 LEU 12 59.899 -3.846 3.506 93 HD13 LEU 12 HD13 LEU 12 58.900 -2.770 2.528 94 HD21 LEU 12 HD21 LEU 12 57.255 -3.447 5.066 95 HD22 LEU 12 HD22 LEU 12 58.812 -4.266 5.202 96 HD23 LEU 12 HD23 LEU 12 57.319 -5.202 5.241 97 H THR 13 HN THR 13 54.017 -3.239 4.897 98 HA THR 13 HA THR 13 51.668 -2.680 3.265 99 HB THR 13 HB THR 13 51.116 -1.278 5.339 100 HG1 THR 13 HG1 THR 13 52.508 -1.443 7.038 101 HG21 THR 13 HG21 THR 13 51.927 -4.098 6.020 102 HG22 THR 13 HG22 THR 13 50.600 -3.771 4.904 103 HG23 THR 13 HG23 THR 13 50.515 -3.194 6.570 104 H GLU 14 HN GLU 14 50.848 -0.380 3.034 105 HA GLU 14 HA GLU 14 52.592 1.227 1.468 106 HB2 GLU 14 HB2 GLU 14 49.894 1.298 2.621 107 HB3 GLU 14 HB1 GLU 14 50.586 2.900 2.381 108 HG2 GLU 14 HG2 GLU 14 49.531 2.419 0.319 109 HG3 GLU 14 HG1 GLU 14 51.231 2.058 0.022 110 H GLU 15 HN GLU 15 51.627 1.614 4.914 111 HA GLU 15 HA GLU 15 52.932 4.076 5.442 112 HB2 GLU 15 HB2 GLU 15 53.058 3.118 7.816 113 HB3 GLU 15 HB1 GLU 15 51.462 3.129 7.072 114 HG2 GLU 15 HG2 GLU 15 52.895 0.658 6.471 115 HG3 GLU 15 HG1 GLU 15 52.744 0.913 8.206 116 H GLN 16 HN GLN 16 54.268 0.778 5.361 117 HA GLN 16 HA GLN 16 56.927 1.539 6.281 118 HB2 GLN 16 HB2 GLN 16 55.826 -0.865 4.786 119 HB3 GLN 16 HB1 GLN 16 57.433 -0.790 5.506 120 HG2 GLN 16 HG2 GLN 16 55.429 0.031 7.427 121 HG3 GLN 16 HG1 GLN 16 55.037 -1.558 6.775 122 HE21 GLN 16 HE21 GLN 16 57.926 0.219 8.031 123 HE22 GLN 16 HE22 GLN 16 58.589 -1.134 8.812 124 H LYS 17 HN LYS 17 55.370 1.018 3.127 125 HA LYS 17 HA LYS 17 57.679 1.254 1.442 126 HB2 LYS 17 HB2 LYS 17 54.715 1.764 1.151 127 HB3 LYS 17 HB1 LYS 17 55.811 2.059 -0.198 128 HG2 LYS 17 HG2 LYS 17 56.674 -0.326 0.184 129 HG3 LYS 17 HG1 LYS 17 55.256 -0.557 1.209 130 HD2 LYS 17 HD2 LYS 17 53.839 0.259 -0.731 131 HD3 LYS 17 HD1 LYS 17 55.293 0.191 -1.728 132 HE2 LYS 17 HE2 LYS 17 54.582 -1.951 -2.145 133 HE3 LYS 17 HE1 LYS 17 55.350 -2.296 -0.584 134 HZ1 LYS 17 HZ1 LYS 17 52.590 -1.240 -0.653 135 HZ2 LYS 17 HZ2 LYS 17 53.348 -2.195 0.534 136 HZ3 LYS 17 HZ3 LYS 17 52.856 -2.890 -0.936 137 H ASN 18 HN ASN 18 55.591 3.707 2.939 138 HA ASN 18 HA ASN 18 56.725 5.934 1.425 139 HB2 ASN 18 HB2 ASN 18 54.815 6.845 2.210 140 HB3 ASN 18 HB1 ASN 18 54.514 5.385 3.141 141 HD21 ASN 18 HD21 ASN 18 55.182 5.384 5.434 142 HD22 ASN 18 HD22 ASN 18 55.521 6.840 6.234 143 H GLU 19 HN GLU 19 57.454 4.339 4.493 144 HA GLU 19 HA GLU 19 58.980 6.315 5.820 145 HB2 GLU 19 HB2 GLU 19 59.032 3.310 5.626 146 HB3 GLU 19 HB1 GLU 19 60.252 4.145 6.590 147 HG2 GLU 19 HG2 GLU 19 58.328 5.376 7.726 148 HG3 GLU 19 HG1 GLU 19 57.246 4.227 6.943 149 H PHE 20 HN PHE 20 60.041 3.970 3.330 150 HA PHE 20 HA PHE 20 62.807 4.691 3.293 151 HB2 PHE 20 HB2 PHE 20 60.934 3.652 1.134 152 HB3 PHE 20 HB1 PHE 20 62.690 3.644 1.008 153 HD1 PHE 20 HD1 PHE 20 63.407 2.918 3.849 154 HD2 PHE 20 HD2 PHE 20 60.405 1.355 1.206 155 HE1 PHE 20 HE1 PHE 20 63.474 0.749 5.053 156 HE2 PHE 20 HE2 PHE 20 60.471 -0.810 2.408 157 HZ PHE 20 HZ PHE 20 62.004 -1.114 4.333 158 H LYS 21 HN LYS 21 60.003 6.063 1.555 159 HA LYS 21 HA LYS 21 61.403 7.835 -0.206 160 HB2 LYS 21 HB2 LYS 21 59.038 7.242 -0.418 161 HB3 LYS 21 HB1 LYS 21 58.681 7.987 1.137 162 HG2 LYS 21 HG2 LYS 21 58.028 9.485 -0.697 163 HG3 LYS 21 HG1 LYS 21 59.350 10.193 0.228 164 HD2 LYS 21 HD2 LYS 21 60.963 9.443 -1.459 165 HD3 LYS 21 HD1 LYS 21 59.672 8.657 -2.369 166 HE2 LYS 21 HE2 LYS 21 59.199 11.528 -1.738 167 HE3 LYS 21 HE1 LYS 21 60.501 11.203 -2.901 168 HZ1 LYS 21 HZ1 LYS 21 57.825 9.918 -3.041 169 HZ2 LYS 21 HZ2 LYS 21 59.051 9.883 -4.219 170 HZ3 LYS 21 HZ3 LYS 21 58.216 11.326 -3.898 171 H ALA 22 HN ALA 22 60.079 8.415 3.090 172 HA ALA 22 HA ALA 22 60.784 11.153 3.346 173 HB1 ALA 22 HB1 ALA 22 60.628 8.905 5.381 174 HB2 ALA 22 HB2 ALA 22 59.310 9.967 4.882 175 HB3 ALA 22 HB3 ALA 22 60.670 10.619 5.796 176 H ALA 23 HN ALA 23 62.719 8.243 4.210 177 HA ALA 23 HA ALA 23 64.990 9.749 5.194 178 HB1 ALA 23 HB1 ALA 23 64.643 6.916 4.148 179 HB2 ALA 23 HB2 ALA 23 64.573 7.440 5.833 180 HB3 ALA 23 HB3 ALA 23 66.099 7.496 4.955 181 H PHE 24 HN PHE 24 64.283 8.200 2.046 182 HA PHE 24 HA PHE 24 66.780 8.834 0.778 183 HB2 PHE 24 HB2 PHE 24 64.501 7.358 0.258 184 HB3 PHE 24 HB1 PHE 24 64.384 8.657 -0.930 185 HD1 PHE 24 HD2 PHE 24 66.909 6.262 0.495 186 HD2 PHE 24 HD1 PHE 24 65.511 8.422 -2.948 187 HE1 PHE 24 HE2 PHE 24 68.627 5.153 -0.902 188 HE2 PHE 24 HE1 PHE 24 67.228 7.309 -4.346 189 HZ PHE 24 HZ PHE 24 68.790 5.678 -3.315 190 H ASP 25 HN ASP 25 63.793 10.719 1.177 191 HA ASP 25 HA ASP 25 64.144 12.673 -0.847 192 HB2 ASP 25 HB2 ASP 25 62.578 12.196 1.487 193 HB3 ASP 25 HB1 ASP 25 63.164 13.855 1.581 194 H ILE 26 HN ILE 26 65.765 12.358 2.291 195 HA ILE 26 HA ILE 26 66.866 14.940 2.606 196 HB ILE 26 HB ILE 26 67.757 12.134 3.285 197 HG12 ILE 26 HG12 ILE 26 67.226 14.240 5.329 198 HG13 ILE 26 HG11 ILE 26 65.844 13.739 4.358 199 HG21 ILE 26 HG21 ILE 26 69.213 14.735 3.842 200 HG22 ILE 26 HG22 ILE 26 69.858 13.274 3.100 201 HG23 ILE 26 HG23 ILE 26 69.461 13.286 4.817 202 HD11 ILE 26 HD11 ILE 26 67.571 11.575 5.462 203 HD12 ILE 26 HD12 ILE 26 65.824 11.613 5.222 204 HD13 ILE 26 HD13 ILE 26 66.541 12.450 6.598 205 H PHE 27 HN PHE 27 68.068 12.213 0.611 206 HA PHE 27 HA PHE 27 70.237 13.985 -0.422 207 HB2 PHE 27 HB2 PHE 27 70.299 11.344 -1.574 208 HB3 PHE 27 HB1 PHE 27 71.466 12.101 -0.505 209 HD1 PHE 27 HD1 PHE 27 70.877 12.094 2.054 210 HD2 PHE 27 HD2 PHE 27 69.080 9.476 -0.838 211 HE1 PHE 27 HE1 PHE 27 70.208 10.542 3.874 212 HE2 PHE 27 HE2 PHE 27 68.419 7.930 0.976 213 HZ PHE 27 HZ PHE 27 68.973 8.461 3.331 214 H VAL 28 HN VAL 28 67.234 12.441 -1.423 215 HA VAL 28 HA VAL 28 67.587 12.718 -4.270 216 HB VAL 28 HB VAL 28 65.192 12.534 -2.418 217 HG11 VAL 28 HG11 VAL 28 65.326 12.799 -5.418 218 HG12 VAL 28 HG12 VAL 28 64.220 13.581 -4.290 219 HG13 VAL 28 HG13 VAL 28 64.030 11.870 -4.667 220 HG21 VAL 28 HG21 VAL 28 66.702 10.554 -2.644 221 HG22 VAL 28 HG22 VAL 28 66.412 10.568 -4.382 222 HG23 VAL 28 HG23 VAL 28 65.084 10.242 -3.272 223 H GLN 29 HN GLN 29 66.227 14.900 -1.779 224 HA GLN 29 HA GLN 29 65.177 16.931 -3.472 225 HB2 GLN 29 HB2 GLN 29 66.174 16.661 -0.680 226 HB3 GLN 29 HB1 GLN 29 66.002 18.304 -1.298 227 HG2 GLN 29 HG2 GLN 29 63.679 17.901 -1.880 228 HG3 GLN 29 HG1 GLN 29 63.823 16.202 -1.430 229 HE21 GLN 29 HE21 GLN 29 64.089 15.708 0.898 230 HE22 GLN 29 HE22 GLN 29 63.619 16.843 2.067 231 H GLY 30 HN GLY 30 68.499 16.391 -2.320 232 HA2 GLY 30 HA2 GLY 30 69.399 18.785 -3.841 233 HA3 GLY 30 HA1 GLY 30 70.371 17.900 -2.668 234 H ALA 31 HN ALA 31 68.464 16.510 -5.313 235 HA ALA 31 HA ALA 31 70.936 15.846 -6.833 236 HB1 ALA 31 HB1 ALA 31 70.862 13.849 -5.695 237 HB2 ALA 31 HB2 ALA 31 69.625 13.469 -6.894 238 HB3 ALA 31 HB3 ALA 31 69.156 14.028 -5.287 239 H GLU 32 HN GLU 32 70.224 14.687 -8.949 240 HA GLU 32 HA GLU 32 68.020 16.260 -10.148 241 HB2 GLU 32 HB2 GLU 32 70.510 15.503 -10.965 242 HB3 GLU 32 HB1 GLU 32 69.535 14.232 -11.703 243 HG2 GLU 32 HG2 GLU 32 68.094 16.577 -12.194 244 HG3 GLU 32 HG1 GLU 32 69.778 17.029 -12.462 245 H ASP 33 HN ASP 33 68.971 12.801 -10.178 246 HA ASP 33 HA ASP 33 66.109 12.073 -10.633 247 HB2 ASP 33 HB2 ASP 33 68.619 11.281 -11.729 248 HB3 ASP 33 HB1 ASP 33 67.949 9.885 -10.887 249 H GLY 34 HN GLY 34 68.809 11.652 -8.383 250 HA2 GLY 34 HA2 GLY 34 68.342 11.194 -6.019 251 HA3 GLY 34 HA1 GLY 34 66.944 10.244 -6.521 252 H SER 35 HN SER 35 70.424 10.225 -7.389 253 HA SER 35 HA SER 35 70.470 7.289 -6.750 254 HB2 SER 35 HB2 SER 35 71.620 8.906 -9.039 255 HB3 SER 35 HB1 SER 35 72.244 7.305 -8.645 256 HG SER 35 HG SER 35 70.229 6.439 -9.060 257 H ILE 36 HN ILE 36 72.070 6.768 -5.250 258 HA ILE 36 HA ILE 36 74.134 8.876 -4.667 259 HB ILE 36 HB ILE 36 72.837 6.779 -2.899 260 HG12 ILE 36 HG12 ILE 36 72.464 9.495 -2.045 261 HG13 ILE 36 HG11 ILE 36 71.974 9.362 -3.736 262 HG21 ILE 36 HG21 ILE 36 73.990 8.202 -1.097 263 HG22 ILE 36 HG22 ILE 36 74.960 8.866 -2.412 264 HG23 ILE 36 HG23 ILE 36 75.028 7.141 -2.047 265 HD11 ILE 36 HD11 ILE 36 70.669 7.286 -3.072 266 HD12 ILE 36 HD12 ILE 36 70.045 8.807 -2.433 267 HD13 ILE 36 HD13 ILE 36 70.978 7.731 -1.393 268 H SER 37 HN SER 37 76.283 8.217 -4.332 269 HA SER 37 HA SER 37 77.065 5.660 -5.585 270 HB2 SER 37 HB2 SER 37 78.082 8.207 -5.514 271 HB3 SER 37 HB1 SER 37 79.081 7.408 -4.302 272 HG SER 37 HG SER 37 79.674 7.320 -6.679 273 H THR 38 HN THR 38 78.709 4.275 -4.442 274 HA THR 38 HA THR 38 77.793 3.282 -1.943 275 HB THR 38 HB THR 38 80.060 2.126 -1.989 276 HG1 THR 38 HG1 THR 38 81.386 2.597 -3.705 277 HG21 THR 38 HG21 THR 38 78.069 2.171 -4.220 278 HG22 THR 38 HG22 THR 38 78.472 0.866 -3.102 279 HG23 THR 38 HG23 THR 38 79.544 1.239 -4.456 280 H LYS 39 HN LYS 39 80.411 5.601 -2.645 281 HA LYS 39 HA LYS 39 81.554 5.810 -0.045 282 HB2 LYS 39 HB2 LYS 39 81.979 6.891 -2.518 283 HB3 LYS 39 HB1 LYS 39 81.296 8.280 -1.670 284 HG2 LYS 39 HG2 LYS 39 83.362 8.629 -0.826 285 HG3 LYS 39 HG1 LYS 39 83.083 7.199 0.173 286 HD2 LYS 39 HD2 LYS 39 84.061 6.834 -2.645 287 HD3 LYS 39 HD1 LYS 39 85.213 7.319 -1.398 288 HE2 LYS 39 HE2 LYS 39 83.401 5.059 -0.692 289 HE3 LYS 39 HE1 LYS 39 84.649 4.725 -1.909 290 HZ1 LYS 39 HZ1 LYS 39 86.286 5.760 -0.417 291 HZ2 LYS 39 HZ2 LYS 39 85.558 4.396 0.290 292 HZ3 LYS 39 HZ3 LYS 39 85.085 5.958 0.761 293 H GLU 40 HN GLU 40 78.792 7.548 -1.495 294 HA GLU 40 HA GLU 40 78.323 9.112 0.960 295 HB2 GLU 40 HB2 GLU 40 77.758 9.267 -1.815 296 HB3 GLU 40 HB1 GLU 40 76.200 9.149 -1.000 297 HG2 GLU 40 HG2 GLU 40 78.283 11.023 0.081 298 HG3 GLU 40 HG1 GLU 40 77.318 11.507 -1.314 299 H LEU 41 HN LEU 41 77.197 6.147 -0.519 300 HA LEU 41 HA LEU 41 74.636 5.864 0.681 301 HB2 LEU 41 HB2 LEU 41 76.237 4.464 -1.030 302 HB3 LEU 41 HB1 LEU 41 76.314 3.446 0.404 303 HG LEU 41 HG LEU 41 74.437 2.740 -0.995 304 HD11 LEU 41 HD11 LEU 41 74.213 2.784 1.535 305 HD12 LEU 41 HD12 LEU 41 72.687 2.809 0.649 306 HD13 LEU 41 HD13 LEU 41 73.322 4.297 1.349 307 HD21 LEU 41 HD21 LEU 41 72.868 5.206 -0.608 308 HD22 LEU 41 HD22 LEU 41 73.024 4.182 -2.036 309 HD23 LEU 41 HD23 LEU 41 74.254 5.396 -1.681 310 H GLY 42 HN GLY 42 77.884 5.276 2.000 311 HA2 GLY 42 HA2 GLY 42 77.138 3.779 4.310 312 HA3 GLY 42 HA1 GLY 42 78.563 4.817 4.211 313 H LYS 43 HN LYS 43 77.145 7.278 3.680 314 HA LYS 43 HA LYS 43 76.500 8.120 6.371 315 HB2 LYS 43 HB2 LYS 43 77.252 9.306 4.028 316 HB3 LYS 43 HB1 LYS 43 75.529 9.684 4.028 317 HG2 LYS 43 HG2 LYS 43 76.252 10.210 6.647 318 HG3 LYS 43 HG1 LYS 43 77.675 10.735 5.745 319 HD2 LYS 43 HD2 LYS 43 75.252 11.584 4.394 320 HD3 LYS 43 HD1 LYS 43 75.254 12.148 6.062 321 HE2 LYS 43 HE2 LYS 43 76.865 13.681 5.621 322 HE3 LYS 43 HE1 LYS 43 77.873 12.480 4.789 323 HZ1 LYS 43 HZ1 LYS 43 75.430 13.736 3.642 324 HZ2 LYS 43 HZ2 LYS 43 76.463 12.643 2.850 325 HZ3 LYS 43 HZ3 LYS 43 77.019 14.197 3.260 326 H VAL 44 HN VAL 44 74.549 7.307 3.499 327 HA VAL 44 HA VAL 44 71.956 7.960 4.499 328 HB VAL 44 HB VAL 44 73.053 5.901 2.568 329 HG11 VAL 44 HG11 VAL 44 70.588 5.907 1.738 330 HG12 VAL 44 HG12 VAL 44 70.202 6.504 3.352 331 HG13 VAL 44 HG13 VAL 44 70.982 4.933 3.154 332 HG21 VAL 44 HG21 VAL 44 73.080 7.635 1.141 333 HG22 VAL 44 HG22 VAL 44 72.592 8.699 2.461 334 HG23 VAL 44 HG23 VAL 44 71.370 7.939 1.440 335 H MET 45 HN MET 45 73.841 4.939 4.673 336 HA MET 45 HA MET 45 71.881 3.394 6.108 337 HB2 MET 45 HB2 MET 45 74.910 3.172 6.015 338 HB3 MET 45 HB1 MET 45 73.787 1.877 6.436 339 HG2 MET 45 HG2 MET 45 72.932 2.945 3.944 340 HG3 MET 45 HG1 MET 45 74.673 2.687 3.828 341 HE1 MET 45 HE1 MET 45 71.518 0.713 5.526 342 HE2 MET 45 HE2 MET 45 71.257 -0.189 4.036 343 HE3 MET 45 HE3 MET 45 71.302 1.572 3.995 344 H ARG 46 HN ARG 46 74.815 5.120 7.243 345 HA ARG 46 HA ARG 46 74.526 4.638 10.029 346 HB2 ARG 46 HB2 ARG 46 75.994 6.394 8.211 347 HB3 ARG 46 HB1 ARG 46 75.612 7.210 9.725 348 HG2 ARG 46 HG2 ARG 46 76.714 5.531 11.017 349 HG3 ARG 46 HG1 ARG 46 76.818 4.439 9.638 350 HD2 ARG 46 HD2 ARG 46 78.495 5.752 8.578 351 HD3 ARG 46 HD1 ARG 46 78.163 7.153 9.617 352 HE ARG 46 HE ARG 46 78.882 4.868 11.230 353 HH11 ARG 46 HH11 ARG 46 79.814 7.877 11.137 354 HH12 ARG 46 HH12 ARG 46 81.518 7.645 10.951 355 HH21 ARG 46 HH21 ARG 46 81.244 4.276 10.192 356 HH22 ARG 46 HH22 ARG 46 82.329 5.600 10.451 357 H MET 47 HN MET 47 73.123 7.196 7.976 358 HA MET 47 HA MET 47 71.905 8.718 10.102 359 HB2 MET 47 HB2 MET 47 72.409 9.431 7.734 360 HB3 MET 47 HB1 MET 47 71.069 8.418 7.202 361 HG2 MET 47 HG2 MET 47 69.715 9.781 9.021 362 HG3 MET 47 HG1 MET 47 71.005 10.961 8.796 363 HE1 MET 47 HE1 MET 47 69.092 8.404 7.054 364 HE2 MET 47 HE2 MET 47 68.664 9.021 5.460 365 HE3 MET 47 HE3 MET 47 67.660 9.426 6.849 366 H LEU 48 HN LEU 48 70.684 6.094 7.992 367 HA LEU 48 HA LEU 48 67.973 6.132 9.045 368 HB2 LEU 48 HB2 LEU 48 69.639 4.616 7.145 369 HB3 LEU 48 HB1 LEU 48 68.410 3.638 7.935 370 HG LEU 48 HG LEU 48 67.233 6.144 7.190 371 HD11 LEU 48 HD11 LEU 48 67.491 5.986 4.738 372 HD12 LEU 48 HD12 LEU 48 68.635 4.661 4.944 373 HD13 LEU 48 HD13 LEU 48 69.046 6.279 5.515 374 HD21 LEU 48 HD21 LEU 48 65.608 4.733 6.217 375 HD22 LEU 48 HD22 LEU 48 66.291 3.734 7.500 376 HD23 LEU 48 HD23 LEU 48 66.794 3.487 5.828 377 H GLY 49 HN GLY 49 70.960 4.722 10.148 378 HA2 GLY 49 HA2 GLY 49 71.053 3.915 12.487 379 HA3 GLY 49 HA1 GLY 49 69.449 3.228 12.251 380 H GLN 50 HN GLN 50 72.213 3.031 10.013 381 HA GLN 50 HA GLN 50 72.097 0.043 10.298 382 HB2 GLN 50 HB2 GLN 50 73.073 1.745 7.984 383 HB3 GLN 50 HB1 GLN 50 72.812 0.006 7.964 384 HG2 GLN 50 HG2 GLN 50 70.514 1.806 8.673 385 HG3 GLN 50 HG1 GLN 50 70.987 1.644 6.980 386 HE21 GLN 50 HE21 GLN 50 70.025 -0.329 9.841 387 HE22 GLN 50 HE22 GLN 50 69.401 -1.615 8.924 388 H ASN 51 HN ASN 51 74.100 -1.069 10.457 389 HA ASN 51 HA ASN 51 76.571 0.604 10.758 390 HB2 ASN 51 HB2 ASN 51 75.060 -0.459 12.807 391 HB3 ASN 51 HB1 ASN 51 76.261 -1.724 12.551 392 HD21 ASN 51 HD21 ASN 51 76.079 1.867 12.991 393 HD22 ASN 51 HD22 ASN 51 77.547 1.972 13.834 394 HA PRO 52 HA PRO 52 77.091 -3.419 8.304 395 HB2 PRO 52 HB2 PRO 52 77.140 -2.438 5.761 396 HB3 PRO 52 HB1 PRO 52 75.634 -2.936 6.561 397 HG2 PRO 52 HG2 PRO 52 76.720 -0.215 6.103 398 HG3 PRO 52 HG1 PRO 52 75.043 -0.778 6.095 399 HD2 PRO 52 HD2 PRO 52 76.256 0.580 8.169 400 HD3 PRO 52 HD1 PRO 52 74.804 -0.433 8.319 401 H THR 53 HN THR 53 79.198 -4.048 7.672 402 HA THR 53 HA THR 53 81.369 -2.157 8.075 403 HB THR 53 HB THR 53 82.567 -4.325 7.008 404 HG1 THR 53 HG1 THR 53 81.338 -6.063 7.046 405 HG21 THR 53 HG21 THR 53 82.339 -5.341 9.372 406 HG22 THR 53 HG22 THR 53 81.356 -3.923 9.735 407 HG23 THR 53 HG23 THR 53 83.037 -3.725 9.237 408 HA PRO 54 HA PRO 54 82.032 -0.676 4.015 409 HB2 PRO 54 HB2 PRO 54 84.758 -0.813 3.744 410 HB3 PRO 54 HB1 PRO 54 83.930 0.378 4.767 411 HG2 PRO 54 HG2 PRO 54 85.251 -2.183 5.541 412 HG3 PRO 54 HG1 PRO 54 85.285 -0.610 6.350 413 HD2 PRO 54 HD2 PRO 54 83.712 -2.650 7.184 414 HD3 PRO 54 HD1 PRO 54 83.250 -0.943 7.373 415 H GLU 55 HN GLU 55 84.029 -3.642 4.558 416 HA GLU 55 HA GLU 55 84.188 -4.355 1.778 417 HB2 GLU 55 HB2 GLU 55 85.268 -6.261 2.592 418 HB3 GLU 55 HB1 GLU 55 85.477 -5.153 3.941 419 HG2 GLU 55 HG2 GLU 55 83.060 -6.943 3.865 420 HG3 GLU 55 HG1 GLU 55 84.610 -7.604 4.369 421 H GLU 56 HN GLU 56 81.698 -4.886 4.220 422 HA GLU 56 HA GLU 56 80.194 -6.790 2.529 423 HB2 GLU 56 HB2 GLU 56 80.049 -5.603 5.271 424 HB3 GLU 56 HB1 GLU 56 78.556 -6.234 4.580 425 HG2 GLU 56 HG2 GLU 56 80.271 -8.258 3.960 426 HG3 GLU 56 HG1 GLU 56 80.988 -7.690 5.466 427 H LEU 57 HN LEU 57 80.096 -3.354 3.436 428 HA LEU 57 HA LEU 57 77.486 -2.689 2.495 429 HB2 LEU 57 HB2 LEU 57 79.001 -1.258 3.873 430 HB3 LEU 57 HB1 LEU 57 80.035 -1.031 2.462 431 HG LEU 57 HG LEU 57 77.901 -0.198 1.268 432 HD11 LEU 57 HD11 LEU 57 76.489 -1.085 3.269 433 HD12 LEU 57 HD12 LEU 57 76.060 0.478 2.574 434 HD13 LEU 57 HD13 LEU 57 76.983 0.405 4.076 435 HD21 LEU 57 HD21 LEU 57 78.486 1.988 1.790 436 HD22 LEU 57 HD22 LEU 57 79.909 1.133 2.384 437 HD23 LEU 57 HD23 LEU 57 78.652 1.641 3.511 438 H GLN 58 HN GLN 58 80.602 -2.929 0.754 439 HA GLN 58 HA GLN 58 79.824 -1.828 -1.737 440 HB2 GLN 58 HB2 GLN 58 82.112 -2.576 -0.927 441 HB3 GLN 58 HB1 GLN 58 81.612 -4.234 -1.257 442 HG2 GLN 58 HG2 GLN 58 82.688 -3.622 -3.245 443 HG3 GLN 58 HG1 GLN 58 80.993 -3.327 -3.617 444 HE21 GLN 58 HE21 GLN 58 80.657 -1.336 -4.593 445 HE22 GLN 58 HE22 GLN 58 81.603 0.051 -4.331 446 H GLU 59 HN GLU 59 79.672 -5.263 -0.662 447 HA GLU 59 HA GLU 59 78.266 -6.257 -2.970 448 HB2 GLU 59 HB2 GLU 59 79.474 -7.663 -1.344 449 HB3 GLU 59 HB1 GLU 59 78.358 -7.176 -0.068 450 HG2 GLU 59 HG2 GLU 59 77.522 -9.272 -0.765 451 HG3 GLU 59 HG1 GLU 59 76.499 -8.114 -1.614 452 H MET 60 HN MET 60 77.151 -5.024 0.192 453 HA MET 60 HA MET 60 74.368 -5.468 0.016 454 HB2 MET 60 HB2 MET 60 76.234 -3.529 1.303 455 HB3 MET 60 HB1 MET 60 74.524 -3.103 1.299 456 HG2 MET 60 HG2 MET 60 74.161 -5.555 2.129 457 HG3 MET 60 HG1 MET 60 75.870 -5.485 2.559 458 HE1 MET 60 HE1 MET 60 73.508 -1.991 3.074 459 HE2 MET 60 HE2 MET 60 72.350 -3.054 3.871 460 HE3 MET 60 HE3 MET 60 72.917 -3.433 2.239 461 H ILE 61 HN ILE 61 76.327 -2.861 -1.437 462 HA ILE 61 HA ILE 61 73.913 -1.590 -2.607 463 HB ILE 61 HB ILE 61 76.829 -0.932 -2.238 464 HG12 ILE 61 HG12 ILE 61 74.436 0.838 -1.739 465 HG13 ILE 61 HG11 ILE 61 74.850 -0.436 -0.597 466 HG21 ILE 61 HG21 ILE 61 76.672 -0.141 -4.426 467 HG22 ILE 61 HG22 ILE 61 76.128 1.264 -3.510 468 HG23 ILE 61 HG23 ILE 61 74.950 0.207 -4.285 469 HD11 ILE 61 HD11 ILE 61 75.933 1.585 0.144 470 HD12 ILE 61 HD12 ILE 61 76.596 1.885 -1.460 471 HD13 ILE 61 HD13 ILE 61 77.183 0.522 -0.503 472 H ASP 62 HN ASP 62 76.843 -3.341 -3.665 473 HA ASP 62 HA ASP 62 76.449 -2.922 -6.497 474 HB2 ASP 62 HB2 ASP 62 78.120 -4.618 -4.694 475 HB3 ASP 62 HB1 ASP 62 78.013 -5.092 -6.389 476 H GLU 63 HN GLU 63 75.482 -5.570 -4.284 477 HA GLU 63 HA GLU 63 74.563 -7.370 -6.331 478 HB2 GLU 63 HB2 GLU 63 74.899 -7.367 -3.573 479 HB3 GLU 63 HB1 GLU 63 73.152 -7.510 -3.768 480 HG2 GLU 63 HG2 GLU 63 73.656 -9.343 -5.495 481 HG3 GLU 63 HG1 GLU 63 75.305 -9.321 -4.875 482 H VAL 64 HN VAL 64 72.927 -4.735 -4.576 483 HA VAL 64 HA VAL 64 70.291 -5.402 -5.670 484 HB VAL 64 HB VAL 64 69.625 -3.306 -4.549 485 HG11 VAL 64 HG11 VAL 64 69.664 -5.007 -2.969 486 HG12 VAL 64 HG12 VAL 64 70.837 -3.898 -2.256 487 HG13 VAL 64 HG13 VAL 64 71.389 -5.296 -3.173 488 HG21 VAL 64 HG21 VAL 64 71.211 -1.800 -3.576 489 HG22 VAL 64 HG22 VAL 64 71.800 -2.103 -5.211 490 HG23 VAL 64 HG23 VAL 64 72.545 -2.923 -3.838 491 H ASP 65 HN ASP 65 73.014 -3.454 -6.704 492 HA ASP 65 HA ASP 65 71.597 -1.735 -8.551 493 HB2 ASP 65 HB2 ASP 65 73.979 -1.644 -7.436 494 HB3 ASP 65 HB1 ASP 65 74.467 -2.615 -8.825 495 H GLU 66 HN GLU 66 70.310 -2.884 -10.027 496 HA GLU 66 HA GLU 66 71.385 -5.250 -11.449 497 HB2 GLU 66 HB2 GLU 66 68.762 -3.745 -11.688 498 HB3 GLU 66 HB1 GLU 66 69.098 -5.340 -12.348 499 HG2 GLU 66 HG2 GLU 66 68.929 -6.373 -10.304 500 HG3 GLU 66 HG1 GLU 66 69.590 -4.993 -9.429 501 H ASP 67 HN ASP 67 70.459 -1.891 -12.164 502 HA ASP 67 HA ASP 67 70.765 -1.988 -15.016 503 HB2 ASP 67 HB2 ASP 67 70.752 0.475 -14.782 504 HB3 ASP 67 HB1 ASP 67 69.525 -0.261 -13.759 505 H GLY 68 HN GLY 68 73.171 -1.813 -12.468 506 HA2 GLY 68 HA2 GLY 68 75.511 -2.076 -12.727 507 HA3 GLY 68 HA1 GLY 68 75.299 -1.978 -14.473 508 H SER 69 HN SER 69 74.517 0.337 -11.842 509 HA SER 69 HA SER 69 76.105 2.391 -13.353 510 HB2 SER 69 HB2 SER 69 74.521 3.989 -12.493 511 HB3 SER 69 HB1 SER 69 73.593 2.625 -13.105 512 HG SER 69 HG SER 69 73.963 3.538 -10.517 513 H GLY 70 HN GLY 70 75.864 0.642 -10.351 514 HA2 GLY 70 HA2 GLY 70 77.388 0.626 -8.544 515 HA3 GLY 70 HA1 GLY 70 78.289 1.916 -9.337 516 H THR 71 HN THR 71 74.943 2.580 -9.029 517 HA THR 71 HA THR 71 75.376 4.114 -6.491 518 HB THR 71 HB THR 71 74.105 5.979 -7.642 519 HG1 THR 71 HG1 THR 71 74.050 5.819 -9.944 520 HG21 THR 71 HG21 THR 71 76.522 5.382 -9.311 521 HG22 THR 71 HG22 THR 71 76.720 5.599 -7.573 522 HG23 THR 71 HG23 THR 71 76.035 6.897 -8.551 523 H VAL 72 HN VAL 72 73.761 3.621 -5.056 524 HA VAL 72 HA VAL 72 71.447 2.024 -5.897 525 HB VAL 72 HB VAL 72 72.658 3.024 -3.340 526 HG11 VAL 72 HG11 VAL 72 70.718 1.735 -2.204 527 HG12 VAL 72 HG12 VAL 72 69.847 1.996 -3.715 528 HG13 VAL 72 HG13 VAL 72 70.392 3.374 -2.761 529 HG21 VAL 72 HG21 VAL 72 71.709 0.242 -3.831 530 HG22 VAL 72 HG22 VAL 72 73.161 0.802 -3.006 531 HG23 VAL 72 HG23 VAL 72 73.093 0.803 -4.768 532 H ASP 73 HN ASP 73 69.466 2.808 -6.382 533 HA ASP 73 HA ASP 73 68.855 5.677 -5.758 534 HB2 ASP 73 HB2 ASP 73 67.122 5.282 -7.611 535 HB3 ASP 73 HB1 ASP 73 68.806 5.225 -8.116 536 H PHE 74 HN PHE 74 66.103 5.597 -5.958 537 HA PHE 74 HA PHE 74 65.236 4.760 -3.392 538 HB2 PHE 74 HB2 PHE 74 64.253 6.461 -5.006 539 HB3 PHE 74 HB1 PHE 74 63.543 5.099 -5.878 540 HD1 PHE 74 HD2 PHE 74 63.946 6.177 -2.314 541 HD2 PHE 74 HD1 PHE 74 61.341 4.601 -5.338 542 HE1 PHE 74 HE2 PHE 74 62.097 6.091 -0.669 543 HE2 PHE 74 HE1 PHE 74 59.484 4.514 -3.693 544 HZ PHE 74 HZ PHE 74 59.861 5.261 -1.360 545 H ASP 75 HN ASP 75 64.745 3.180 -6.570 546 HA ASP 75 HA ASP 75 63.200 0.963 -5.627 547 HB2 ASP 75 HB2 ASP 75 64.135 2.003 -8.026 548 HB3 ASP 75 HB1 ASP 75 64.983 0.463 -7.908 549 H GLU 76 HN GLU 76 66.704 1.200 -6.349 550 HA GLU 76 HA GLU 76 67.417 -1.430 -5.476 551 HB2 GLU 76 HB2 GLU 76 68.686 1.137 -6.170 552 HB3 GLU 76 HB1 GLU 76 69.617 0.189 -5.012 553 HG2 GLU 76 HG2 GLU 76 69.992 -1.527 -6.506 554 HG3 GLU 76 HG1 GLU 76 68.486 -1.246 -7.375 555 H PHE 77 HN PHE 77 67.357 1.698 -3.717 556 HA PHE 77 HA PHE 77 68.406 0.801 -1.223 557 HB2 PHE 77 HB2 PHE 77 68.133 3.148 -1.799 558 HB3 PHE 77 HB1 PHE 77 66.386 2.955 -1.950 559 HD1 PHE 77 HD2 PHE 77 69.147 2.399 0.543 560 HD2 PHE 77 HD1 PHE 77 65.046 3.496 -0.121 561 HE1 PHE 77 HE2 PHE 77 68.880 2.876 2.960 562 HE2 PHE 77 HE1 PHE 77 64.777 3.973 2.299 563 HZ PHE 77 HZ PHE 77 66.698 3.658 3.840 564 H LEU 78 HN LEU 78 65.053 0.749 -2.461 565 HA LEU 78 HA LEU 78 63.757 -0.124 -0.067 566 HB2 LEU 78 HB2 LEU 78 63.239 0.166 -2.914 567 HB3 LEU 78 HB1 LEU 78 62.477 -1.296 -2.295 568 HG LEU 78 HG LEU 78 62.132 0.918 -0.440 569 HD11 LEU 78 HD11 LEU 78 60.323 1.880 -2.183 570 HD12 LEU 78 HD12 LEU 78 61.563 1.384 -3.332 571 HD13 LEU 78 HD13 LEU 78 61.954 2.544 -2.063 572 HD21 LEU 78 HD21 LEU 78 60.378 -1.011 -1.965 573 HD22 LEU 78 HD22 LEU 78 59.683 0.263 -0.961 574 HD23 LEU 78 HD23 LEU 78 60.716 -0.967 -0.235 575 H VAL 79 HN VAL 79 65.256 -1.987 -2.735 576 HA VAL 79 HA VAL 79 64.692 -4.609 -1.623 577 HB VAL 79 HB VAL 79 66.682 -3.548 -3.658 578 HG11 VAL 79 HG11 VAL 79 66.915 -5.918 -4.365 579 HG12 VAL 79 HG12 VAL 79 65.926 -6.412 -2.992 580 HG13 VAL 79 HG13 VAL 79 67.502 -5.668 -2.722 581 HG21 VAL 79 HG21 VAL 79 65.086 -4.501 -5.277 582 HG22 VAL 79 HG22 VAL 79 64.274 -3.334 -4.235 583 HG23 VAL 79 HG23 VAL 79 64.063 -5.061 -3.954 584 H MET 80 HN MET 80 67.364 -2.305 -1.277 585 HA MET 80 HA MET 80 69.172 -4.164 0.069 586 HB2 MET 80 HB2 MET 80 69.964 -2.233 -1.197 587 HB3 MET 80 HB1 MET 80 69.026 -1.140 -0.182 588 HG2 MET 80 HG2 MET 80 70.424 -1.461 1.678 589 HG3 MET 80 HG1 MET 80 71.089 -2.965 1.038 590 HE1 MET 80 HE1 MET 80 72.142 -0.162 2.252 591 HE2 MET 80 HE2 MET 80 71.465 0.995 1.111 592 HE3 MET 80 HE3 MET 80 73.209 0.748 1.175 593 H MET 81 HN MET 81 66.689 -1.854 1.098 594 HA MET 81 HA MET 81 67.355 -1.721 3.894 595 HB2 MET 81 HB2 MET 81 65.118 -1.041 2.072 596 HB3 MET 81 HB1 MET 81 64.661 -1.275 3.760 597 HG2 MET 81 HG2 MET 81 66.991 0.475 2.956 598 HG3 MET 81 HG1 MET 81 65.351 1.103 3.105 599 HE1 MET 81 HE1 MET 81 68.609 0.058 5.074 600 HE2 MET 81 HE2 MET 81 68.252 1.387 6.169 601 HE3 MET 81 HE3 MET 81 68.179 1.648 4.429 602 H VAL 82 HN VAL 82 65.006 -3.807 2.145 603 HA VAL 82 HA VAL 82 64.046 -5.204 4.463 604 HB VAL 82 HB VAL 82 63.279 -6.879 2.755 605 HG11 VAL 82 HG11 VAL 82 62.868 -3.927 2.384 606 HG12 VAL 82 HG12 VAL 82 61.742 -5.142 2.988 607 HG13 VAL 82 HG13 VAL 82 62.111 -5.058 1.265 608 HG21 VAL 82 HG21 VAL 82 65.402 -6.509 1.318 609 HG22 VAL 82 HG22 VAL 82 64.556 -5.099 0.678 610 HG23 VAL 82 HG23 VAL 82 63.872 -6.707 0.472 611 H ARG 83 HN ARG 83 66.896 -5.710 2.434 612 HA ARG 83 HA ARG 83 67.557 -8.356 3.454 613 HB2 ARG 83 HB2 ARG 83 68.799 -6.188 1.796 614 HB3 ARG 83 HB1 ARG 83 69.853 -7.454 2.425 615 HG2 ARG 83 HG2 ARG 83 68.726 -9.155 1.244 616 HG3 ARG 83 HG1 ARG 83 67.284 -8.161 1.009 617 HD2 ARG 83 HD2 ARG 83 68.333 -8.094 -1.117 618 HD3 ARG 83 HD1 ARG 83 68.906 -6.596 -0.351 619 HE ARG 83 HE ARG 83 70.906 -8.022 0.434 620 HH11 ARG 83 HH11 ARG 83 70.984 -7.233 -2.522 621 HH12 ARG 83 HH12 ARG 83 71.437 -8.740 -3.244 622 HH21 ARG 83 HH21 ARG 83 70.685 -10.611 -0.436 623 HH22 ARG 83 HH22 ARG 83 71.280 -10.646 -2.062 624 H SER 84 HN SER 84 68.404 -5.023 4.336 625 HA SER 84 HA SER 84 70.519 -5.581 6.193 626 HB2 SER 84 HB2 SER 84 68.549 -3.361 5.689 627 HB3 SER 84 HB1 SER 84 69.633 -3.272 7.072 628 HG SER 84 HG SER 84 70.150 -3.044 4.373 629 H MET 85 HN MET 85 67.025 -5.888 6.458 630 HA MET 85 HA MET 85 66.903 -5.829 9.372 631 HB2 MET 85 HB2 MET 85 65.112 -6.528 7.065 632 HB3 MET 85 HB1 MET 85 64.640 -7.049 8.683 633 HG2 MET 85 HG2 MET 85 64.969 -4.666 9.455 634 HG3 MET 85 HG1 MET 85 65.181 -4.214 7.762 635 HE1 MET 85 HE1 MET 85 62.207 -3.105 6.777 636 HE2 MET 85 HE2 MET 85 62.552 -4.578 5.873 637 HE3 MET 85 HE3 MET 85 63.880 -3.573 6.454 638 H LYS 86 HN LYS 86 66.728 -8.448 6.936 639 HA LYS 86 HA LYS 86 67.270 -10.733 7.055 640 HB2 LYS 86 HB2 LYS 86 69.382 -9.699 7.963 641 HB3 LYS 86 HB1 LYS 86 68.726 -9.904 9.584 642 HG2 LYS 86 HG2 LYS 86 69.553 -11.996 9.590 643 HG3 LYS 86 HG1 LYS 86 68.397 -12.402 8.326 644 HD2 LYS 86 HD2 LYS 86 70.263 -12.874 7.109 645 HD3 LYS 86 HD1 LYS 86 70.309 -11.129 6.863 646 HE2 LYS 86 HE2 LYS 86 72.209 -10.919 8.100 647 HE3 LYS 86 HE1 LYS 86 71.542 -11.910 9.410 648 HZ1 LYS 86 HZ1 LYS 86 72.321 -13.822 8.502 649 HZ2 LYS 86 HZ2 LYS 86 73.497 -12.777 7.867 650 HZ3 LYS 86 HZ3 LYS 86 72.190 -13.272 6.901 651 H ASP 87 HN ASP 87 67.096 -10.038 10.573 652 HA ASP 87 HA ASP 87 64.923 -12.080 10.765 653 HB2 ASP 87 HB2 ASP 87 65.737 -12.317 13.085 654 HB3 ASP 87 HB1 ASP 87 67.054 -12.507 11.931 655 H ASP 88 HN ASP 88 63.836 -11.477 13.208 656 HA ASP 88 HA ASP 88 62.052 -9.262 12.613 657 HB2 ASP 88 HB2 ASP 88 61.961 -11.567 14.052 658 HB3 ASP 88 HB1 ASP 88 62.228 -10.407 15.350 659 H SER 89 HN SER 89 61.638 -7.543 14.370 660 HA SER 89 HA SER 89 64.241 -6.543 15.489 661 HB2 SER 89 HB2 SER 89 61.902 -5.022 14.285 662 HB3 SER 89 HB1 SER 89 63.341 -4.278 14.977 663 HG SER 89 HG SER 89 64.571 -5.226 13.369 Start of MODEL 2 1 H1 MET 1 HT1 MET 1 64.853 -18.301 -1.793 2 H2 MET 1 HT2 MET 1 65.770 -19.684 -2.158 3 H3 MET 1 HT3 MET 1 64.548 -19.159 -3.217 4 HA MET 1 HA MET 1 67.262 -18.093 -2.812 5 HB2 MET 1 HB2 MET 1 65.355 -18.876 -5.005 6 HB3 MET 1 HB1 MET 1 66.691 -17.784 -5.376 7 HG2 MET 1 HG2 MET 1 68.323 -19.380 -4.834 8 HG3 MET 1 HG1 MET 1 67.207 -20.330 -3.853 9 HE1 MET 1 HE1 MET 1 65.835 -22.844 -5.658 10 HE2 MET 1 HE2 MET 1 64.673 -21.530 -5.814 11 HE3 MET 1 HE3 MET 1 65.656 -21.661 -4.356 12 H ASP 2 HN ASP 2 64.030 -16.995 -3.929 13 HA ASP 2 HA ASP 2 64.767 -14.215 -3.103 14 HB2 ASP 2 HB2 ASP 2 63.509 -13.564 -5.286 15 HB3 ASP 2 HB1 ASP 2 65.136 -14.219 -5.449 16 H ASP 3 HN ASP 3 63.124 -16.220 -1.749 17 HA ASP 3 HA ASP 3 60.305 -15.738 -2.209 18 HB2 ASP 3 HB2 ASP 3 61.867 -16.813 0.168 19 HB3 ASP 3 HB1 ASP 3 60.119 -16.946 -0.028 20 H ILE 4 HN ILE 4 62.511 -14.646 0.432 21 HA ILE 4 HA ILE 4 60.601 -12.867 1.649 22 HB ILE 4 HB ILE 4 62.658 -11.946 2.775 23 HG12 ILE 4 HG12 ILE 4 64.409 -14.027 1.648 24 HG13 ILE 4 HG11 ILE 4 63.971 -12.778 0.484 25 HG21 ILE 4 HG21 ILE 4 62.631 -14.971 2.642 26 HG22 ILE 4 HG22 ILE 4 61.434 -14.019 3.522 27 HG23 ILE 4 HG23 ILE 4 63.130 -13.961 4.000 28 HD11 ILE 4 HD11 ILE 4 66.025 -12.169 1.716 29 HD12 ILE 4 HD12 ILE 4 65.141 -12.276 3.237 30 HD13 ILE 4 HD13 ILE 4 64.719 -11.034 2.058 31 H TYR 5 HN TYR 5 62.682 -12.463 -1.146 32 HA TYR 5 HA TYR 5 62.827 -9.589 -1.157 33 HB2 TYR 5 HB2 TYR 5 62.873 -11.671 -3.368 34 HB3 TYR 5 HB1 TYR 5 63.310 -9.980 -3.596 35 HD1 TYR 5 HD1 TYR 5 64.517 -9.933 -0.591 36 HD2 TYR 5 HD2 TYR 5 65.180 -12.307 -4.112 37 HE1 TYR 5 HE1 TYR 5 66.821 -10.425 0.170 38 HE2 TYR 5 HE2 TYR 5 67.485 -12.796 -3.343 39 HH TYR 5 HH TYR 5 68.658 -12.866 -0.992 40 H LYS 6 HN LYS 6 60.664 -11.770 -3.020 41 HA LYS 6 HA LYS 6 58.927 -9.647 -3.939 42 HB2 LYS 6 HB2 LYS 6 59.270 -11.852 -5.028 43 HB3 LYS 6 HB1 LYS 6 58.496 -12.641 -3.652 44 HG2 LYS 6 HG2 LYS 6 56.974 -10.441 -4.967 45 HG3 LYS 6 HG1 LYS 6 57.135 -11.948 -5.868 46 HD2 LYS 6 HD2 LYS 6 56.493 -12.966 -3.460 47 HD3 LYS 6 HD1 LYS 6 55.679 -11.408 -3.329 48 HE2 LYS 6 HE2 LYS 6 54.486 -11.838 -5.450 49 HE3 LYS 6 HE1 LYS 6 55.305 -13.408 -5.588 50 HZ1 LYS 6 HZ1 LYS 6 53.613 -12.539 -3.295 51 HZ2 LYS 6 HZ2 LYS 6 54.405 -14.038 -3.435 52 HZ3 LYS 6 HZ3 LYS 6 53.142 -13.638 -4.499 53 H ALA 7 HN ALA 7 58.760 -11.913 -1.168 54 HA ALA 7 HA ALA 7 56.109 -11.387 -0.300 55 HB1 ALA 7 HB1 ALA 7 56.914 -12.257 1.824 56 HB2 ALA 7 HB2 ALA 7 58.577 -11.849 1.398 57 HB3 ALA 7 HB3 ALA 7 57.728 -13.124 0.522 58 H ALA 8 HN ALA 8 59.133 -9.688 0.642 59 HA ALA 8 HA ALA 8 57.978 -7.788 2.438 60 HB1 ALA 8 HB1 ALA 8 60.359 -7.549 0.561 61 HB2 ALA 8 HB2 ALA 8 60.388 -8.317 2.146 62 HB3 ALA 8 HB3 ALA 8 60.089 -6.584 2.014 63 H VAL 9 HN VAL 9 58.805 -7.341 -1.040 64 HA VAL 9 HA VAL 9 57.654 -4.736 -1.313 65 HB VAL 9 HB VAL 9 58.150 -7.029 -3.241 66 HG11 VAL 9 HG11 VAL 9 56.623 -5.709 -4.441 67 HG12 VAL 9 HG12 VAL 9 58.180 -5.032 -4.920 68 HG13 VAL 9 HG13 VAL 9 57.197 -4.208 -3.711 69 HG21 VAL 9 HG21 VAL 9 59.686 -4.544 -2.435 70 HG22 VAL 9 HG22 VAL 9 60.085 -5.492 -3.869 71 HG23 VAL 9 HG23 VAL 9 60.192 -6.225 -2.270 72 H GLU 10 HN GLU 10 56.241 -7.979 -1.701 73 HA GLU 10 HA GLU 10 53.683 -7.107 -2.752 74 HB2 GLU 10 HB2 GLU 10 54.714 -9.371 -2.976 75 HB3 GLU 10 HB1 GLU 10 54.486 -9.618 -1.245 76 HG2 GLU 10 HG2 GLU 10 51.973 -8.779 -2.154 77 HG3 GLU 10 HG1 GLU 10 52.547 -9.878 -3.408 78 H GLN 11 HN GLN 11 54.947 -7.620 0.524 79 HA GLN 11 HA GLN 11 52.257 -6.967 1.659 80 HB2 GLN 11 HB2 GLN 11 54.731 -8.386 2.631 81 HB3 GLN 11 HB1 GLN 11 53.474 -7.873 3.757 82 HG2 GLN 11 HG2 GLN 11 51.865 -9.295 2.810 83 HG3 GLN 11 HG1 GLN 11 52.748 -9.439 1.290 84 HE21 GLN 11 HE21 GLN 11 54.050 -11.272 1.069 85 HE22 GLN 11 HE22 GLN 11 54.504 -12.293 2.348 86 H LEU 12 HN LEU 12 54.456 -4.985 0.630 87 HA LEU 12 HA LEU 12 55.394 -3.626 3.040 88 HB2 LEU 12 HB2 LEU 12 55.620 -3.443 0.131 89 HB3 LEU 12 HB1 LEU 12 55.485 -1.850 0.879 90 HG LEU 12 HG LEU 12 57.447 -4.001 1.757 91 HD11 LEU 12 HD11 LEU 12 57.972 -1.437 0.221 92 HD12 LEU 12 HD12 LEU 12 57.883 -3.029 -0.532 93 HD13 LEU 12 HD13 LEU 12 59.153 -2.680 0.640 94 HD21 LEU 12 HD21 LEU 12 57.476 -1.053 2.418 95 HD22 LEU 12 HD22 LEU 12 58.350 -2.362 3.212 96 HD23 LEU 12 HD23 LEU 12 56.607 -2.213 3.422 97 H THR 13 HN THR 13 54.564 -1.602 3.872 98 HA THR 13 HA THR 13 51.650 -1.241 3.397 99 HB THR 13 HB THR 13 52.141 0.349 5.465 100 HG1 THR 13 HG1 THR 13 53.973 -0.077 6.492 101 HG21 THR 13 HG21 THR 13 51.610 -1.462 6.903 102 HG22 THR 13 HG22 THR 13 52.417 -2.631 5.859 103 HG23 THR 13 HG23 THR 13 50.898 -1.889 5.349 104 H GLU 14 HN GLU 14 50.833 1.063 3.464 105 HA GLU 14 HA GLU 14 52.077 2.641 1.355 106 HB2 GLU 14 HB2 GLU 14 49.613 2.611 3.007 107 HB3 GLU 14 HB1 GLU 14 50.099 4.197 2.411 108 HG2 GLU 14 HG2 GLU 14 50.137 1.896 0.494 109 HG3 GLU 14 HG1 GLU 14 48.577 2.592 0.929 110 H GLU 15 HN GLU 15 51.476 3.292 4.863 111 HA GLU 15 HA GLU 15 52.779 5.828 4.933 112 HB2 GLU 15 HB2 GLU 15 52.349 5.701 7.192 113 HB3 GLU 15 HB1 GLU 15 51.287 4.415 6.636 114 HG2 GLU 15 HG2 GLU 15 54.137 3.878 7.494 115 HG3 GLU 15 HG1 GLU 15 52.806 3.891 8.639 116 H GLN 16 HN GLN 16 54.154 2.543 5.161 117 HA GLN 16 HA GLN 16 56.811 3.478 5.940 118 HB2 GLN 16 HB2 GLN 16 56.391 1.266 6.545 119 HB3 GLN 16 HB1 GLN 16 55.459 0.934 5.083 120 HG2 GLN 16 HG2 GLN 16 57.292 0.335 3.897 121 HG3 GLN 16 HG1 GLN 16 58.288 1.606 4.599 122 HE21 GLN 16 HE21 GLN 16 59.112 1.179 6.883 123 HE22 GLN 16 HE22 GLN 16 59.391 -0.427 7.348 124 H LYS 17 HN LYS 17 55.095 2.763 2.908 125 HA LYS 17 HA LYS 17 57.314 2.846 1.095 126 HB2 LYS 17 HB2 LYS 17 55.033 2.024 0.583 127 HB3 LYS 17 HB1 LYS 17 54.399 3.659 0.779 128 HG2 LYS 17 HG2 LYS 17 55.196 4.357 -1.240 129 HG3 LYS 17 HG1 LYS 17 56.671 3.397 -1.103 130 HD2 LYS 17 HD2 LYS 17 55.282 2.499 -2.911 131 HD3 LYS 17 HD1 LYS 17 55.343 1.342 -1.578 132 HE2 LYS 17 HE2 LYS 17 53.033 1.440 -2.181 133 HE3 LYS 17 HE1 LYS 17 53.156 2.485 -0.750 134 HZ1 LYS 17 HZ1 LYS 17 53.523 3.516 -3.507 135 HZ2 LYS 17 HZ2 LYS 17 53.262 4.404 -2.082 136 HZ3 LYS 17 HZ3 LYS 17 52.005 3.480 -2.752 137 H ASN 18 HN ASN 18 55.096 5.392 2.285 138 HA ASN 18 HA ASN 18 56.431 7.551 0.856 139 HB2 ASN 18 HB2 ASN 18 54.515 8.588 1.503 140 HB3 ASN 18 HB1 ASN 18 54.040 7.080 2.274 141 HD21 ASN 18 HD21 ASN 18 55.896 10.100 2.949 142 HD22 ASN 18 HD22 ASN 18 55.546 10.107 4.609 143 H GLU 19 HN GLU 19 56.683 6.073 4.050 144 HA GLU 19 HA GLU 19 58.286 7.975 5.423 145 HB2 GLU 19 HB2 GLU 19 57.161 6.008 6.404 146 HB3 GLU 19 HB1 GLU 19 58.216 4.938 5.486 147 HG2 GLU 19 HG2 GLU 19 59.103 5.061 7.709 148 HG3 GLU 19 HG1 GLU 19 60.177 6.006 6.677 149 H PHE 20 HN PHE 20 59.211 5.262 3.284 150 HA PHE 20 HA PHE 20 62.065 5.583 3.490 151 HB2 PHE 20 HB2 PHE 20 60.179 4.408 1.427 152 HB3 PHE 20 HB1 PHE 20 61.928 4.301 1.262 153 HD1 PHE 20 HD2 PHE 20 61.667 4.275 4.649 154 HD2 PHE 20 HD1 PHE 20 60.579 1.799 1.310 155 HE1 PHE 20 HE2 PHE 20 61.680 2.284 6.120 156 HE2 PHE 20 HE1 PHE 20 60.592 -0.191 2.782 157 HZ PHE 20 HZ PHE 20 61.141 0.050 5.185 158 H LYS 21 HN LYS 21 59.623 6.899 1.265 159 HA LYS 21 HA LYS 21 61.374 8.250 -0.549 160 HB2 LYS 21 HB2 LYS 21 59.102 7.870 -1.149 161 HB3 LYS 21 HB1 LYS 21 58.513 8.552 0.364 162 HG2 LYS 21 HG2 LYS 21 58.098 10.214 -1.299 163 HG3 LYS 21 HG1 LYS 21 59.503 10.779 -0.399 164 HD2 LYS 21 HD2 LYS 21 60.981 10.312 -2.133 165 HD3 LYS 21 HD1 LYS 21 59.926 9.080 -2.840 166 HE2 LYS 21 HE2 LYS 21 58.726 10.624 -4.049 167 HE3 LYS 21 HE1 LYS 21 58.810 11.842 -2.764 168 HZ1 LYS 21 HZ1 LYS 21 61.192 12.107 -3.264 169 HZ2 LYS 21 HZ2 LYS 21 60.209 12.512 -4.592 170 HZ3 LYS 21 HZ3 LYS 21 61.032 11.027 -4.566 171 H ALA 22 HN ALA 22 59.784 9.337 2.468 172 HA ALA 22 HA ALA 22 60.508 12.074 2.403 173 HB1 ALA 22 HB1 ALA 22 59.027 11.520 4.100 174 HB2 ALA 22 HB2 ALA 22 60.526 11.553 5.029 175 HB3 ALA 22 HB3 ALA 22 59.865 10.015 4.476 176 H ALA 23 HN ALA 23 62.277 9.314 3.856 177 HA ALA 23 HA ALA 23 64.577 10.843 4.685 178 HB1 ALA 23 HB1 ALA 23 64.290 8.759 5.723 179 HB2 ALA 23 HB2 ALA 23 65.559 8.396 4.551 180 HB3 ALA 23 HB3 ALA 23 63.886 7.955 4.204 181 H PHE 24 HN PHE 24 63.845 8.951 1.752 182 HA PHE 24 HA PHE 24 66.361 9.057 0.467 183 HB2 PHE 24 HB2 PHE 24 63.814 8.123 -0.043 184 HB3 PHE 24 HB1 PHE 24 63.986 9.395 -1.255 185 HD1 PHE 24 HD2 PHE 24 65.916 6.553 0.238 186 HD2 PHE 24 HD1 PHE 24 65.060 8.884 -3.260 187 HE1 PHE 24 HE2 PHE 24 67.367 5.062 -1.101 188 HE2 PHE 24 HE1 PHE 24 66.513 7.390 -4.609 189 HZ PHE 24 HZ PHE 24 67.668 5.479 -3.527 190 H ASP 25 HN ASP 25 63.710 11.458 0.432 191 HA ASP 25 HA ASP 25 64.740 13.232 -1.526 192 HB2 ASP 25 HB2 ASP 25 62.802 13.209 0.689 193 HB3 ASP 25 HB1 ASP 25 63.420 14.817 0.304 194 H ILE 26 HN ILE 26 65.697 12.810 1.850 195 HA ILE 26 HA ILE 26 66.997 15.307 2.309 196 HB ILE 26 HB ILE 26 67.498 12.490 3.317 197 HG12 ILE 26 HG12 ILE 26 66.191 14.801 4.758 198 HG13 ILE 26 HG11 ILE 26 65.261 13.758 3.683 199 HG21 ILE 26 HG21 ILE 26 68.737 13.514 5.156 200 HG22 ILE 26 HG22 ILE 26 68.476 15.119 4.475 201 HG23 ILE 26 HG23 ILE 26 69.496 13.958 3.626 202 HD11 ILE 26 HD11 ILE 26 66.752 12.967 6.192 203 HD12 ILE 26 HD12 ILE 26 66.171 11.787 5.019 204 HD13 ILE 26 HD13 ILE 26 65.025 12.822 5.870 205 H PHE 27 HN PHE 27 68.375 12.230 1.038 206 HA PHE 27 HA PHE 27 70.935 13.608 0.462 207 HB2 PHE 27 HB2 PHE 27 70.852 10.933 -0.594 208 HB3 PHE 27 HB1 PHE 27 71.812 11.556 0.736 209 HD1 PHE 27 HD2 PHE 27 70.668 11.735 3.050 210 HD2 PHE 27 HD1 PHE 27 69.114 9.388 -0.194 211 HE1 PHE 27 HE2 PHE 27 69.335 10.399 4.654 212 HE2 PHE 27 HE1 PHE 27 67.782 8.049 1.417 213 HZ PHE 27 HZ PHE 27 67.896 8.556 3.841 214 H VAL 28 HN VAL 28 68.061 12.656 -1.280 215 HA VAL 28 HA VAL 28 69.153 12.537 -3.938 216 HB VAL 28 HB VAL 28 66.452 13.110 -2.703 217 HG11 VAL 28 HG11 VAL 28 65.574 12.860 -5.103 218 HG12 VAL 28 HG12 VAL 28 67.225 13.191 -5.628 219 HG13 VAL 28 HG13 VAL 28 66.333 14.402 -4.707 220 HG21 VAL 28 HG21 VAL 28 66.945 10.903 -4.638 221 HG22 VAL 28 HG22 VAL 28 66.001 10.904 -3.150 222 HG23 VAL 28 HG23 VAL 28 67.757 10.767 -3.079 223 H GLN 29 HN GLN 29 68.362 15.225 -1.799 224 HA GLN 29 HA GLN 29 68.008 17.374 -3.604 225 HB2 GLN 29 HB2 GLN 29 69.120 17.007 -0.837 226 HB3 GLN 29 HB1 GLN 29 69.326 18.578 -1.613 227 HG2 GLN 29 HG2 GLN 29 66.986 18.905 -1.835 228 HG3 GLN 29 HG1 GLN 29 66.639 17.204 -1.531 229 HE21 GLN 29 HE21 GLN 29 66.161 16.644 0.615 230 HE22 GLN 29 HE22 GLN 29 66.420 17.654 1.953 231 H GLY 30 HN GLY 30 71.051 15.935 -2.396 232 HA2 GLY 30 HA2 GLY 30 72.582 17.647 -4.302 233 HA3 GLY 30 HA1 GLY 30 73.279 16.767 -2.941 234 H ALA 31 HN ALA 31 71.070 15.651 -5.528 235 HA ALA 31 HA ALA 31 73.216 13.831 -6.532 236 HB1 ALA 31 HB1 ALA 31 70.479 13.104 -5.452 237 HB2 ALA 31 HB2 ALA 31 72.048 12.510 -4.905 238 HB3 ALA 31 HB3 ALA 31 71.411 12.006 -6.468 239 H GLU 32 HN GLU 32 73.315 14.409 -8.675 240 HA GLU 32 HA GLU 32 71.192 15.645 -10.163 241 HB2 GLU 32 HB2 GLU 32 72.701 15.217 -12.083 242 HB3 GLU 32 HB1 GLU 32 73.579 15.861 -10.696 243 HG2 GLU 32 HG2 GLU 32 73.436 12.936 -10.663 244 HG3 GLU 32 HG1 GLU 32 74.230 13.554 -12.106 245 H ASP 33 HN ASP 33 71.993 12.272 -9.608 246 HA ASP 33 HA ASP 33 70.168 11.332 -11.750 247 HB2 ASP 33 HB2 ASP 33 72.241 10.200 -9.903 248 HB3 ASP 33 HB1 ASP 33 71.055 9.104 -10.607 249 H GLY 34 HN GLY 34 70.105 11.952 -8.321 250 HA2 GLY 34 HA2 GLY 34 68.182 11.892 -6.922 251 HA3 GLY 34 HA1 GLY 34 67.333 10.975 -8.167 252 H SER 35 HN SER 35 70.522 9.940 -7.199 253 HA SER 35 HA SER 35 69.315 7.754 -5.546 254 HB2 SER 35 HB2 SER 35 71.221 6.380 -6.731 255 HB3 SER 35 HB1 SER 35 69.718 6.690 -7.591 256 HG SER 35 HG SER 35 70.746 7.978 -8.919 257 H ILE 36 HN ILE 36 70.881 6.788 -4.019 258 HA ILE 36 HA ILE 36 72.784 8.820 -2.985 259 HB ILE 36 HB ILE 36 71.811 6.144 -1.918 260 HG12 ILE 36 HG12 ILE 36 71.035 8.698 -0.635 261 HG13 ILE 36 HG11 ILE 36 70.334 8.419 -2.229 262 HG21 ILE 36 HG21 ILE 36 72.817 6.731 0.165 263 HG22 ILE 36 HG22 ILE 36 73.149 8.375 -0.379 264 HG23 ILE 36 HG23 ILE 36 74.057 7.024 -1.055 265 HD11 ILE 36 HD11 ILE 36 70.064 6.750 0.263 266 HD12 ILE 36 HD12 ILE 36 69.783 6.045 -1.329 267 HD13 ILE 36 HD13 ILE 36 68.794 7.395 -0.775 268 H SER 37 HN SER 37 75.016 8.489 -2.869 269 HA SER 37 HA SER 37 76.159 6.449 -4.654 270 HB2 SER 37 HB2 SER 37 76.887 8.892 -4.291 271 HB3 SER 37 HB1 SER 37 77.600 8.336 -2.778 272 HG SER 37 HG SER 37 79.154 8.189 -4.369 273 H THR 38 HN THR 38 78.155 5.206 -3.717 274 HA THR 38 HA THR 38 77.249 3.422 -1.658 275 HB THR 38 HB THR 38 79.605 2.560 -1.842 276 HG1 THR 38 HG1 THR 38 80.904 3.664 -3.423 277 HG21 THR 38 HG21 THR 38 77.639 2.252 -3.582 278 HG22 THR 38 HG22 THR 38 79.259 1.664 -3.950 279 HG23 THR 38 HG23 THR 38 78.696 3.194 -4.628 280 H LYS 39 HN LYS 39 79.595 6.129 -1.558 281 HA LYS 39 HA LYS 39 80.400 5.758 1.179 282 HB2 LYS 39 HB2 LYS 39 81.407 7.134 -0.767 283 HB3 LYS 39 HB1 LYS 39 80.259 8.387 -0.306 284 HG2 LYS 39 HG2 LYS 39 81.480 7.503 2.094 285 HG3 LYS 39 HG1 LYS 39 82.781 7.712 0.920 286 HD2 LYS 39 HD2 LYS 39 82.650 9.906 1.526 287 HD3 LYS 39 HD1 LYS 39 81.281 9.933 0.417 288 HE2 LYS 39 HE2 LYS 39 79.872 10.391 2.128 289 HE3 LYS 39 HE1 LYS 39 80.407 8.928 2.982 290 HZ1 LYS 39 HZ1 LYS 39 81.707 11.599 3.000 291 HZ2 LYS 39 HZ2 LYS 39 82.458 10.198 3.596 292 HZ3 LYS 39 HZ3 LYS 39 81.032 10.777 4.322 293 H GLU 40 HN GLU 40 77.583 7.295 -0.274 294 HA GLU 40 HA GLU 40 76.773 8.603 2.257 295 HB2 GLU 40 HB2 GLU 40 75.535 8.369 -0.509 296 HB3 GLU 40 HB1 GLU 40 74.835 9.309 0.807 297 HG2 GLU 40 HG2 GLU 40 76.736 10.785 0.870 298 HG3 GLU 40 HG1 GLU 40 77.642 9.753 -0.236 299 H LEU 41 HN LEU 41 76.027 5.728 0.333 300 HA LEU 41 HA LEU 41 73.505 5.005 1.405 301 HB2 LEU 41 HB2 LEU 41 75.346 3.964 -0.355 302 HB3 LEU 41 HB1 LEU 41 75.409 2.802 0.972 303 HG LEU 41 HG LEU 41 73.701 2.098 -0.618 304 HD11 LEU 41 HD11 LEU 41 72.288 3.345 1.754 305 HD12 LEU 41 HD12 LEU 41 73.309 1.910 1.889 306 HD13 LEU 41 HD13 LEU 41 71.856 1.867 0.893 307 HD21 LEU 41 HD21 LEU 41 72.012 3.498 -1.434 308 HD22 LEU 41 HD22 LEU 41 73.381 4.606 -1.336 309 HD23 LEU 41 HD23 LEU 41 72.145 4.619 -0.079 310 H GLY 42 HN GLY 42 76.775 4.379 2.687 311 HA2 GLY 42 HA2 GLY 42 76.120 2.607 4.782 312 HA3 GLY 42 HA1 GLY 42 77.467 3.741 4.845 313 H LYS 43 HN LYS 43 76.123 6.184 4.859 314 HA LYS 43 HA LYS 43 75.200 6.368 7.608 315 HB2 LYS 43 HB2 LYS 43 76.369 8.054 5.918 316 HB3 LYS 43 HB1 LYS 43 74.699 8.471 5.531 317 HG2 LYS 43 HG2 LYS 43 74.962 9.914 7.286 318 HG3 LYS 43 HG1 LYS 43 74.547 8.484 8.228 319 HD2 LYS 43 HD2 LYS 43 77.396 8.593 7.546 320 HD3 LYS 43 HD1 LYS 43 76.873 9.978 8.506 321 HE2 LYS 43 HE2 LYS 43 76.064 7.182 9.302 322 HE3 LYS 43 HE1 LYS 43 77.637 7.845 9.787 323 HZ1 LYS 43 HZ1 LYS 43 74.951 9.004 10.310 324 HZ2 LYS 43 HZ2 LYS 43 76.398 9.863 10.554 325 HZ3 LYS 43 HZ3 LYS 43 76.071 8.461 11.457 326 H VAL 44 HN VAL 44 73.601 6.391 4.427 327 HA VAL 44 HA VAL 44 70.964 7.081 5.200 328 HB VAL 44 HB VAL 44 72.210 5.385 3.033 329 HG11 VAL 44 HG11 VAL 44 70.001 5.284 1.925 330 HG12 VAL 44 HG12 VAL 44 69.257 6.005 3.353 331 HG13 VAL 44 HG13 VAL 44 69.990 4.403 3.455 332 HG21 VAL 44 HG21 VAL 44 72.541 7.613 2.489 333 HG22 VAL 44 HG22 VAL 44 71.088 8.144 3.335 334 HG23 VAL 44 HG23 VAL 44 70.957 7.364 1.758 335 H MET 45 HN MET 45 72.517 3.863 5.075 336 HA MET 45 HA MET 45 70.241 2.336 5.940 337 HB2 MET 45 HB2 MET 45 73.222 1.842 6.237 338 HB3 MET 45 HB1 MET 45 71.966 0.608 6.316 339 HG2 MET 45 HG2 MET 45 71.586 2.144 3.931 340 HG3 MET 45 HG1 MET 45 73.265 1.613 3.994 341 HE1 MET 45 HE1 MET 45 69.471 -0.882 4.227 342 HE2 MET 45 HE2 MET 45 69.599 0.478 3.114 343 HE3 MET 45 HE3 MET 45 69.793 0.749 4.842 344 H ARG 46 HN ARG 46 73.028 3.649 7.795 345 HA ARG 46 HA ARG 46 72.180 2.699 10.372 346 HB2 ARG 46 HB2 ARG 46 74.113 4.610 9.205 347 HB3 ARG 46 HB1 ARG 46 73.609 5.012 10.843 348 HG2 ARG 46 HG2 ARG 46 75.339 3.576 11.354 349 HG3 ARG 46 HG1 ARG 46 74.044 2.389 11.204 350 HD2 ARG 46 HD2 ARG 46 75.156 1.398 9.497 351 HD3 ARG 46 HD1 ARG 46 75.089 2.909 8.579 352 HE ARG 46 HE ARG 46 77.141 3.584 10.032 353 HH11 ARG 46 HH21 ARG 46 77.097 0.877 11.412 354 HH12 ARG 46 HH22 ARG 46 78.335 0.030 10.550 355 HH21 ARG 46 HH11 ARG 46 78.462 2.334 7.963 356 HH22 ARG 46 HH12 ARG 46 79.111 0.859 8.588 357 H MET 47 HN MET 47 71.299 5.575 8.491 358 HA MET 47 HA MET 47 69.987 6.990 10.656 359 HB2 MET 47 HB2 MET 47 70.892 7.875 8.430 360 HB3 MET 47 HB1 MET 47 69.437 7.201 7.683 361 HG2 MET 47 HG2 MET 47 68.032 8.554 9.190 362 HG3 MET 47 HG1 MET 47 69.479 9.224 9.944 363 HE1 MET 47 HE1 MET 47 66.764 9.885 7.827 364 HE2 MET 47 HE2 MET 47 67.457 8.876 6.558 365 HE3 MET 47 HE3 MET 47 67.293 10.613 6.307 366 H LEU 48 HN LEU 48 68.932 4.551 8.315 367 HA LEU 48 HA LEU 48 66.081 4.877 9.009 368 HB2 LEU 48 HB2 LEU 48 67.772 3.508 7.026 369 HB3 LEU 48 HB1 LEU 48 66.363 2.569 7.524 370 HG LEU 48 HG LEU 48 65.797 5.420 7.041 371 HD11 LEU 48 HD11 LEU 48 66.080 5.440 4.700 372 HD12 LEU 48 HD12 LEU 48 66.303 3.692 4.625 373 HD13 LEU 48 HD13 LEU 48 67.574 4.715 5.293 374 HD21 LEU 48 HD21 LEU 48 63.921 4.338 5.738 375 HD22 LEU 48 HD22 LEU 48 64.005 3.846 7.429 376 HD23 LEU 48 HD23 LEU 48 64.608 2.773 6.169 377 H GLY 49 HN GLY 49 68.669 2.483 9.581 378 HA2 GLY 49 HA2 GLY 49 68.269 1.627 12.077 379 HA3 GLY 49 HA1 GLY 49 66.842 0.914 11.325 380 H GLN 50 HN GLN 50 70.077 1.231 9.875 381 HA GLN 50 HA GLN 50 70.308 -1.759 9.911 382 HB2 GLN 50 HB2 GLN 50 71.426 -0.161 7.644 383 HB3 GLN 50 HB1 GLN 50 70.728 -1.776 7.629 384 HG2 GLN 50 HG2 GLN 50 68.957 0.602 8.167 385 HG3 GLN 50 HG1 GLN 50 69.418 0.205 6.515 386 HE21 GLN 50 HE21 GLN 50 69.160 -2.340 6.080 387 HE22 GLN 50 HE22 GLN 50 67.698 -3.006 6.627 388 H ASN 51 HN ASN 51 72.638 -2.466 9.546 389 HA ASN 51 HA ASN 51 74.634 -0.402 10.386 390 HB2 ASN 51 HB2 ASN 51 73.594 -1.905 12.264 391 HB3 ASN 51 HB1 ASN 51 74.625 -3.170 11.593 392 HD21 ASN 51 HD21 ASN 51 76.272 -3.278 13.183 393 HD22 ASN 51 HD22 ASN 51 77.238 -1.954 13.625 394 HA PRO 52 HA PRO 52 76.076 -3.496 7.097 395 HB2 PRO 52 HB2 PRO 52 76.058 -1.859 4.907 396 HB3 PRO 52 HB1 PRO 52 74.672 -2.860 5.378 397 HG2 PRO 52 HG2 PRO 52 75.133 0.050 5.793 398 HG3 PRO 52 HG1 PRO 52 73.639 -0.813 5.396 399 HD2 PRO 52 HD2 PRO 52 74.259 0.091 7.899 400 HD3 PRO 52 HD1 PRO 52 73.178 -1.284 7.573 401 H THR 53 HN THR 53 78.310 -3.574 6.670 402 HA THR 53 HA THR 53 79.983 -1.377 7.653 403 HB THR 53 HB THR 53 81.707 -3.174 6.577 404 HG1 THR 53 HG1 THR 53 80.829 -5.145 6.449 405 HG21 THR 53 HG21 THR 53 81.173 -4.480 8.857 406 HG22 THR 53 HG22 THR 53 80.238 -3.014 9.160 407 HG23 THR 53 HG23 THR 53 81.968 -2.906 8.841 408 HA PRO 54 HA PRO 54 80.677 0.669 3.843 409 HB2 PRO 54 HB2 PRO 54 83.301 1.427 4.091 410 HB3 PRO 54 HB1 PRO 54 81.968 2.198 4.972 411 HG2 PRO 54 HG2 PRO 54 83.910 0.139 5.903 412 HG3 PRO 54 HG1 PRO 54 83.265 1.549 6.757 413 HD2 PRO 54 HD2 PRO 54 82.361 -0.977 7.188 414 HD3 PRO 54 HD1 PRO 54 81.330 0.463 7.366 415 H GLU 55 HN GLU 55 83.407 -1.555 4.640 416 HA GLU 55 HA GLU 55 84.267 -1.885 1.914 417 HB2 GLU 55 HB2 GLU 55 85.777 -3.410 2.838 418 HB3 GLU 55 HB1 GLU 55 85.398 -2.396 4.223 419 HG2 GLU 55 HG2 GLU 55 83.769 -4.881 3.707 420 HG3 GLU 55 HG1 GLU 55 85.343 -5.017 4.475 421 H GLU 56 HN GLU 56 81.769 -3.503 3.825 422 HA GLU 56 HA GLU 56 81.344 -5.607 1.789 423 HB2 GLU 56 HB2 GLU 56 80.281 -4.839 4.486 424 HB3 GLU 56 HB1 GLU 56 79.291 -5.884 3.473 425 HG2 GLU 56 HG2 GLU 56 82.193 -6.547 3.768 426 HG3 GLU 56 HG1 GLU 56 81.114 -6.912 5.114 427 H LEU 57 HN LEU 57 80.124 -2.425 2.568 428 HA LEU 57 HA LEU 57 77.560 -2.619 1.235 429 HB2 LEU 57 HB2 LEU 57 78.148 -0.980 2.992 430 HB3 LEU 57 HB1 LEU 57 79.345 -0.254 1.917 431 HG LEU 57 HG LEU 57 77.378 0.043 0.260 432 HD11 LEU 57 HD11 LEU 57 75.174 0.263 1.395 433 HD12 LEU 57 HD12 LEU 57 75.889 -0.389 2.867 434 HD13 LEU 57 HD13 LEU 57 75.771 -1.395 1.421 435 HD21 LEU 57 HD21 LEU 57 77.137 2.214 1.019 436 HD22 LEU 57 HD22 LEU 57 78.561 1.735 1.941 437 HD23 LEU 57 HD23 LEU 57 76.972 1.717 2.702 438 H GLN 58 HN GLN 58 80.835 -1.689 0.175 439 HA GLN 58 HA GLN 58 80.290 -0.451 -2.297 440 HB2 GLN 58 HB2 GLN 58 82.504 -0.902 -1.061 441 HB3 GLN 58 HB1 GLN 58 82.484 -2.486 -1.835 442 HG2 GLN 58 HG2 GLN 58 82.010 -0.130 -3.599 443 HG3 GLN 58 HG1 GLN 58 83.647 -0.341 -2.978 444 HE21 GLN 58 HE21 GLN 58 81.543 -1.309 -5.460 445 HE22 GLN 58 HE22 GLN 58 82.403 -2.674 -5.986 446 H GLU 59 HN GLU 59 80.924 -3.968 -1.815 447 HA GLU 59 HA GLU 59 80.112 -4.675 -4.505 448 HB2 GLU 59 HB2 GLU 59 80.424 -6.941 -3.679 449 HB3 GLU 59 HB1 GLU 59 81.673 -5.927 -2.960 450 HG2 GLU 59 HG2 GLU 59 79.877 -5.638 -1.032 451 HG3 GLU 59 HG1 GLU 59 79.263 -7.162 -1.672 452 H MET 60 HN MET 60 78.408 -4.470 -1.392 453 HA MET 60 HA MET 60 76.019 -5.884 -2.066 454 HB2 MET 60 HB2 MET 60 77.032 -4.037 -0.034 455 HB3 MET 60 HB1 MET 60 75.320 -3.787 -0.355 456 HG2 MET 60 HG2 MET 60 75.288 -6.462 -0.228 457 HG3 MET 60 HG1 MET 60 76.707 -6.179 0.781 458 HE1 MET 60 HE1 MET 60 73.583 -3.378 0.885 459 HE2 MET 60 HE2 MET 60 72.472 -4.706 1.205 460 HE3 MET 60 HE3 MET 60 73.510 -4.760 -0.222 461 H ILE 61 HN ILE 61 76.736 -2.364 -2.293 462 HA ILE 61 HA ILE 61 74.225 -1.671 -3.532 463 HB ILE 61 HB ILE 61 76.933 -0.381 -3.196 464 HG12 ILE 61 HG12 ILE 61 74.173 0.519 -2.328 465 HG13 ILE 61 HG11 ILE 61 75.162 -0.576 -1.363 466 HG21 ILE 61 HG21 ILE 61 76.316 0.526 -5.309 467 HG22 ILE 61 HG22 ILE 61 75.736 1.714 -4.145 468 HG23 ILE 61 HG23 ILE 61 74.608 0.575 -4.879 469 HD11 ILE 61 HD11 ILE 61 77.007 1.166 -1.491 470 HD12 ILE 61 HD12 ILE 61 75.601 1.620 -0.530 471 HD13 ILE 61 HD13 ILE 61 75.802 2.268 -2.158 472 H ASP 62 HN ASP 62 77.420 -2.545 -4.877 473 HA ASP 62 HA ASP 62 76.782 -1.955 -7.628 474 HB2 ASP 62 HB2 ASP 62 78.869 -3.298 -6.037 475 HB3 ASP 62 HB1 ASP 62 78.676 -3.971 -7.656 476 H GLU 63 HN GLU 63 76.450 -4.913 -5.649 477 HA GLU 63 HA GLU 63 75.611 -6.656 -7.781 478 HB2 GLU 63 HB2 GLU 63 75.741 -6.597 -4.836 479 HB3 GLU 63 HB1 GLU 63 74.423 -7.591 -5.461 480 HG2 GLU 63 HG2 GLU 63 77.191 -7.835 -6.619 481 HG3 GLU 63 HG1 GLU 63 76.770 -8.683 -5.133 482 H VAL 64 HN VAL 64 73.681 -4.820 -5.351 483 HA VAL 64 HA VAL 64 71.131 -5.526 -6.498 484 HB VAL 64 HB VAL 64 71.536 -4.735 -4.165 485 HG11 VAL 64 HG11 VAL 64 72.049 -2.099 -5.563 486 HG12 VAL 64 HG12 VAL 64 73.148 -2.983 -4.502 487 HG13 VAL 64 HG13 VAL 64 71.691 -2.241 -3.842 488 HG21 VAL 64 HG21 VAL 64 69.582 -3.226 -5.918 489 HG22 VAL 64 HG22 VAL 64 69.583 -3.062 -4.162 490 HG23 VAL 64 HG23 VAL 64 69.266 -4.632 -4.900 491 H ASP 65 HN ASP 65 73.502 -3.066 -7.350 492 HA ASP 65 HA ASP 65 71.685 -1.385 -8.882 493 HB2 ASP 65 HB2 ASP 65 74.006 -0.872 -7.830 494 HB3 ASP 65 HB1 ASP 65 74.673 -1.654 -9.262 495 H GLU 66 HN GLU 66 70.665 -2.271 -10.637 496 HA GLU 66 HA GLU 66 71.939 -4.409 -12.226 497 HB2 GLU 66 HB2 GLU 66 69.281 -3.184 -11.797 498 HB3 GLU 66 HB1 GLU 66 69.562 -3.801 -13.426 499 HG2 GLU 66 HG2 GLU 66 70.124 -5.991 -12.576 500 HG3 GLU 66 HG1 GLU 66 70.108 -5.403 -10.910 501 H ASP 67 HN ASP 67 70.875 -1.022 -12.718 502 HA ASP 67 HA ASP 67 71.575 -0.904 -15.518 503 HB2 ASP 67 HB2 ASP 67 71.393 1.573 -15.097 504 HB3 ASP 67 HB1 ASP 67 70.011 0.659 -14.498 505 H GLY 68 HN GLY 68 73.490 -0.690 -12.596 506 HA2 GLY 68 HA2 GLY 68 75.836 -0.682 -12.394 507 HA3 GLY 68 HA1 GLY 68 75.948 -0.637 -14.149 508 H SER 69 HN SER 69 74.694 1.573 -11.606 509 HA SER 69 HA SER 69 76.119 3.808 -13.018 510 HB2 SER 69 HB2 SER 69 74.398 5.249 -12.133 511 HB3 SER 69 HB1 SER 69 73.602 3.848 -12.835 512 HG SER 69 HG SER 69 73.674 4.727 -10.251 513 H GLY 70 HN GLY 70 75.964 2.001 -10.051 514 HA2 GLY 70 HA2 GLY 70 77.637 2.099 -8.340 515 HA3 GLY 70 HA1 GLY 70 78.117 3.692 -8.928 516 H THR 71 HN THR 71 75.072 4.353 -8.955 517 HA THR 71 HA THR 71 74.943 5.125 -6.075 518 HB THR 71 HB THR 71 73.409 6.900 -6.981 519 HG1 THR 71 HG1 THR 71 72.929 6.942 -9.057 520 HG21 THR 71 HG21 THR 71 76.061 6.771 -8.445 521 HG22 THR 71 HG22 THR 71 75.888 7.243 -6.755 522 HG23 THR 71 HG23 THR 71 75.150 8.222 -8.021 523 H VAL 72 HN VAL 72 73.164 4.531 -4.848 524 HA VAL 72 HA VAL 72 71.321 2.521 -5.994 525 HB VAL 72 HB VAL 72 72.057 3.556 -3.258 526 HG11 VAL 72 HG11 VAL 72 69.629 1.947 -4.041 527 HG12 VAL 72 HG12 VAL 72 69.747 3.290 -2.904 528 HG13 VAL 72 HG13 VAL 72 70.391 1.706 -2.469 529 HG21 VAL 72 HG21 VAL 72 72.108 0.800 -3.248 530 HG22 VAL 72 HG22 VAL 72 73.499 1.828 -3.589 531 HG23 VAL 72 HG23 VAL 72 72.547 1.166 -4.917 532 H ASP 73 HN ASP 73 69.317 3.055 -6.692 533 HA ASP 73 HA ASP 73 68.185 5.733 -5.979 534 HB2 ASP 73 HB2 ASP 73 66.679 5.126 -7.993 535 HB3 ASP 73 HB1 ASP 73 68.382 5.425 -8.335 536 H PHE 74 HN PHE 74 65.518 5.421 -6.241 537 HA PHE 74 HA PHE 74 64.626 4.238 -3.832 538 HB2 PHE 74 HB2 PHE 74 63.580 5.861 -5.727 539 HB3 PHE 74 HB1 PHE 74 62.742 4.367 -6.140 540 HD1 PHE 74 HD2 PHE 74 63.728 6.263 -3.047 541 HD2 PHE 74 HD1 PHE 74 60.708 3.991 -5.086 542 HE1 PHE 74 HE2 PHE 74 62.189 6.600 -1.135 543 HE2 PHE 74 HE1 PHE 74 59.166 4.328 -3.172 544 HZ PHE 74 HZ PHE 74 59.907 5.629 -1.196 545 H ASP 75 HN ASP 75 64.336 2.894 -7.154 546 HA ASP 75 HA ASP 75 63.108 0.419 -6.466 547 HB2 ASP 75 HB2 ASP 75 64.840 1.449 -8.701 548 HB3 ASP 75 HB1 ASP 75 64.385 -0.252 -8.670 549 H GLU 76 HN GLU 76 66.572 1.280 -6.707 550 HA GLU 76 HA GLU 76 67.577 -1.376 -6.145 551 HB2 GLU 76 HB2 GLU 76 68.529 1.266 -6.747 552 HB3 GLU 76 HB1 GLU 76 69.422 0.654 -5.356 553 HG2 GLU 76 HG2 GLU 76 70.360 -1.094 -6.549 554 HG3 GLU 76 HG1 GLU 76 68.991 -1.206 -7.654 555 H PHE 77 HN PHE 77 67.119 1.529 -4.091 556 HA PHE 77 HA PHE 77 68.121 0.428 -1.656 557 HB2 PHE 77 HB2 PHE 77 67.418 2.843 -2.362 558 HB3 PHE 77 HB1 PHE 77 65.810 2.359 -1.822 559 HD1 PHE 77 HD1 PHE 77 69.386 2.272 -0.666 560 HD2 PHE 77 HD2 PHE 77 65.244 2.607 0.417 561 HE1 PHE 77 HE1 PHE 77 70.032 2.667 1.692 562 HE2 PHE 77 HE2 PHE 77 65.888 3.000 2.778 563 HZ PHE 77 HZ PHE 77 68.285 3.035 3.413 564 H LEU 78 HN LEU 78 64.882 0.252 -3.138 565 HA LEU 78 HA LEU 78 63.474 -0.859 -0.911 566 HB2 LEU 78 HB2 LEU 78 63.132 -0.438 -3.775 567 HB3 LEU 78 HB1 LEU 78 62.433 -1.977 -3.284 568 HG LEU 78 HG LEU 78 60.763 -0.184 -3.090 569 HD11 LEU 78 HD11 LEU 78 61.608 -0.850 -0.275 570 HD12 LEU 78 HD12 LEU 78 61.021 -2.108 -1.360 571 HD13 LEU 78 HD13 LEU 78 59.978 -0.749 -0.941 572 HD21 LEU 78 HD21 LEU 78 62.360 1.077 -0.884 573 HD22 LEU 78 HD22 LEU 78 61.103 1.788 -1.895 574 HD23 LEU 78 HD23 LEU 78 62.716 1.515 -2.554 575 H VAL 79 HN VAL 79 65.128 -2.509 -3.639 576 HA VAL 79 HA VAL 79 64.699 -5.174 -2.550 577 HB VAL 79 HB VAL 79 66.628 -4.072 -4.629 578 HG11 VAL 79 HG11 VAL 79 67.500 -6.185 -4.223 579 HG12 VAL 79 HG12 VAL 79 66.265 -6.580 -5.420 580 HG13 VAL 79 HG13 VAL 79 65.947 -6.842 -3.707 581 HG21 VAL 79 HG21 VAL 79 64.713 -5.343 -6.034 582 HG22 VAL 79 HG22 VAL 79 64.577 -3.642 -5.593 583 HG23 VAL 79 HG23 VAL 79 63.752 -4.869 -4.633 584 H MET 80 HN MET 80 67.123 -2.689 -2.094 585 HA MET 80 HA MET 80 69.168 -4.435 -0.953 586 HB2 MET 80 HB2 MET 80 69.722 -2.357 -2.089 587 HB3 MET 80 HB1 MET 80 68.663 -1.441 -1.018 588 HG2 MET 80 HG2 MET 80 70.089 -1.884 0.883 589 HG3 MET 80 HG1 MET 80 71.075 -3.003 -0.059 590 HE1 MET 80 HE1 MET 80 73.705 -0.658 0.330 591 HE2 MET 80 HE2 MET 80 72.638 -1.748 1.212 592 HE3 MET 80 HE3 MET 80 72.479 -0.008 1.428 593 H MET 81 HN MET 81 66.488 -2.445 0.278 594 HA MET 81 HA MET 81 67.222 -2.496 3.071 595 HB2 MET 81 HB2 MET 81 64.815 -1.873 1.393 596 HB3 MET 81 HB1 MET 81 64.584 -2.068 3.132 597 HG2 MET 81 HG2 MET 81 66.917 -0.451 2.690 598 HG3 MET 81 HG1 MET 81 65.582 0.209 1.747 599 HE1 MET 81 HE1 MET 81 67.272 -0.341 4.927 600 HE2 MET 81 HE2 MET 81 66.424 0.713 6.060 601 HE3 MET 81 HE3 MET 81 67.161 1.397 4.614 602 H VAL 82 HN VAL 82 64.891 -4.487 1.174 603 HA VAL 82 HA VAL 82 63.965 -6.128 3.302 604 HB VAL 82 HB VAL 82 63.347 -7.695 1.490 605 HG11 VAL 82 HG11 VAL 82 62.257 -5.341 1.871 606 HG12 VAL 82 HG12 VAL 82 61.844 -6.257 0.423 607 HG13 VAL 82 HG13 VAL 82 63.013 -4.940 0.329 608 HG21 VAL 82 HG21 VAL 82 65.083 -7.857 -0.022 609 HG22 VAL 82 HG22 VAL 82 65.451 -6.135 0.056 610 HG23 VAL 82 HG23 VAL 82 64.066 -6.700 -0.879 611 H ARG 83 HN ARG 83 66.957 -6.374 1.391 612 HA ARG 83 HA ARG 83 67.719 -9.021 2.286 613 HB2 ARG 83 HB2 ARG 83 69.110 -6.633 1.064 614 HB3 ARG 83 HB1 ARG 83 70.014 -8.082 1.505 615 HG2 ARG 83 HG2 ARG 83 68.391 -9.421 0.131 616 HG3 ARG 83 HG1 ARG 83 67.689 -7.901 -0.424 617 HD2 ARG 83 HD2 ARG 83 70.500 -7.641 -0.752 618 HD3 ARG 83 HD1 ARG 83 70.052 -9.232 -1.402 619 HE ARG 83 HE ARG 83 68.555 -6.751 -2.167 620 HH11 ARG 83 HH11 ARG 83 67.439 -9.282 -3.125 621 HH12 ARG 83 HH12 ARG 83 68.192 -9.491 -4.670 622 HH21 ARG 83 HH21 ARG 83 70.704 -7.184 -4.030 623 HH22 ARG 83 HH22 ARG 83 70.058 -8.303 -5.184 624 H SER 84 HN SER 84 68.555 -5.728 3.410 625 HA SER 84 HA SER 84 70.213 -6.747 5.623 626 HB2 SER 84 HB2 SER 84 70.800 -4.728 4.385 627 HB3 SER 84 HB1 SER 84 69.245 -3.999 4.784 628 HG SER 84 HG SER 84 71.340 -4.724 6.561 629 H MET 85 HN MET 85 66.860 -6.128 5.196 630 HA MET 85 HA MET 85 66.127 -5.125 7.795 631 HB2 MET 85 HB2 MET 85 64.874 -6.277 5.379 632 HB3 MET 85 HB1 MET 85 63.951 -6.516 6.865 633 HG2 MET 85 HG2 MET 85 64.569 -3.952 7.235 634 HG3 MET 85 HG1 MET 85 64.679 -3.973 5.475 635 HE1 MET 85 HE1 MET 85 62.784 -3.168 4.208 636 HE2 MET 85 HE2 MET 85 62.826 -2.127 5.630 637 HE3 MET 85 HE3 MET 85 61.280 -2.706 5.021 638 H LYS 86 HN LYS 86 66.946 -8.370 6.691 639 HA LYS 86 HA LYS 86 65.649 -9.714 8.962 640 HB2 LYS 86 HB2 LYS 86 66.051 -10.568 6.563 641 HB3 LYS 86 HB1 LYS 86 67.722 -10.826 7.065 642 HG2 LYS 86 HG2 LYS 86 65.969 -11.880 9.087 643 HG3 LYS 86 HG1 LYS 86 65.501 -12.537 7.515 644 HD2 LYS 86 HD2 LYS 86 67.582 -13.536 7.165 645 HD3 LYS 86 HD1 LYS 86 68.404 -12.446 8.283 646 HE2 LYS 86 HE2 LYS 86 67.017 -13.534 10.147 647 HE3 LYS 86 HE1 LYS 86 66.599 -14.785 8.958 648 HZ1 LYS 86 HZ1 LYS 86 69.350 -14.253 8.755 649 HZ2 LYS 86 HZ2 LYS 86 68.596 -15.690 9.252 650 HZ3 LYS 86 HZ3 LYS 86 68.999 -14.499 10.395 651 H ASP 87 HN ASP 87 66.564 -9.458 10.963 652 HA ASP 87 HA ASP 87 69.550 -9.384 11.179 653 HB2 ASP 87 HB2 ASP 87 69.141 -8.158 13.245 654 HB3 ASP 87 HB1 ASP 87 68.179 -7.430 11.963 655 H ASP 88 HN ASP 88 69.892 -10.110 13.804 656 HA ASP 88 HA ASP 88 68.436 -12.624 14.359 657 HB2 ASP 88 HB2 ASP 88 70.810 -12.517 12.793 658 HB3 ASP 88 HB1 ASP 88 71.252 -13.214 14.350 659 H SER 89 HN SER 89 69.796 -13.749 16.302 660 HA SER 89 HA SER 89 70.616 -11.586 18.224 661 HB2 SER 89 HB2 SER 89 68.337 -13.101 18.306 662 HB3 SER 89 HB1 SER 89 69.429 -14.105 19.255 663 HG SER 89 HG SER 89 69.406 -12.652 20.786 Start of MODEL 3 1 H1 MET 1 HT1 MET 1 62.009 -17.598 -5.299 2 H2 MET 1 HT2 MET 1 62.624 -17.492 -3.720 3 H3 MET 1 HT3 MET 1 62.982 -18.846 -4.676 4 HA MET 1 HA MET 1 64.882 -17.309 -4.551 5 HB2 MET 1 HB2 MET 1 63.402 -18.231 -6.936 6 HB3 MET 1 HB1 MET 1 64.630 -17.010 -7.275 7 HG2 MET 1 HG2 MET 1 65.253 -19.393 -5.529 8 HG3 MET 1 HG1 MET 1 65.352 -19.509 -7.285 9 HE1 MET 1 HE1 MET 1 66.755 -18.885 -4.174 10 HE2 MET 1 HE2 MET 1 68.361 -18.198 -4.421 11 HE3 MET 1 HE3 MET 1 67.977 -19.792 -5.070 12 H ASP 2 HN ASP 2 62.549 -15.860 -6.874 13 HA ASP 2 HA ASP 2 63.487 -13.140 -6.108 14 HB2 ASP 2 HB2 ASP 2 63.322 -13.808 -8.480 15 HB3 ASP 2 HB1 ASP 2 61.617 -14.200 -8.265 16 H ASP 3 HN ASP 3 60.537 -15.124 -6.156 17 HA ASP 3 HA ASP 3 58.610 -13.230 -5.346 18 HB2 ASP 3 HB2 ASP 3 57.348 -15.214 -4.670 19 HB3 ASP 3 HB1 ASP 3 58.251 -15.580 -6.137 20 H ILE 4 HN ILE 4 60.943 -15.052 -3.347 21 HA ILE 4 HA ILE 4 59.823 -14.351 -0.791 22 HB ILE 4 HB ILE 4 62.095 -14.992 0.032 23 HG12 ILE 4 HG12 ILE 4 63.314 -15.968 -2.303 24 HG13 ILE 4 HG11 ILE 4 62.794 -14.341 -2.717 25 HG21 ILE 4 HG21 ILE 4 62.090 -17.298 -1.029 26 HG22 ILE 4 HG22 ILE 4 60.801 -16.723 -2.085 27 HG23 ILE 4 HG23 ILE 4 60.552 -16.783 -0.339 28 HD11 ILE 4 HD11 ILE 4 64.171 -14.820 -0.094 29 HD12 ILE 4 HD12 ILE 4 64.123 -13.354 -1.071 30 HD13 ILE 4 HD13 ILE 4 65.132 -14.711 -1.570 31 H TYR 5 HN TYR 5 62.047 -12.668 -2.967 32 HA TYR 5 HA TYR 5 62.826 -10.606 -1.061 33 HB2 TYR 5 HB2 TYR 5 63.163 -11.285 -3.938 34 HB3 TYR 5 HB1 TYR 5 63.303 -9.574 -3.539 35 HD1 TYR 5 HD1 TYR 5 64.844 -8.968 -1.522 36 HD2 TYR 5 HD2 TYR 5 64.994 -12.710 -3.625 37 HE1 TYR 5 HE1 TYR 5 67.148 -9.343 -0.686 38 HE2 TYR 5 HE2 TYR 5 67.297 -13.085 -2.788 39 HH TYR 5 HH TYR 5 68.599 -12.007 -0.441 40 H LYS 6 HN LYS 6 60.539 -10.738 -3.821 41 HA LYS 6 HA LYS 6 59.552 -8.056 -3.562 42 HB2 LYS 6 HB2 LYS 6 58.476 -10.635 -4.728 43 HB3 LYS 6 HB1 LYS 6 57.608 -9.107 -4.876 44 HG2 LYS 6 HG2 LYS 6 59.975 -8.237 -5.715 45 HG3 LYS 6 HG1 LYS 6 60.206 -9.941 -6.115 46 HD2 LYS 6 HD2 LYS 6 58.287 -9.956 -7.548 47 HD3 LYS 6 HD1 LYS 6 57.758 -8.377 -6.964 48 HE2 LYS 6 HE2 LYS 6 58.842 -7.577 -8.817 49 HE3 LYS 6 HE1 LYS 6 60.316 -7.832 -7.858 50 HZ1 LYS 6 HZ1 LYS 6 60.508 -9.030 -9.928 51 HZ2 LYS 6 HZ2 LYS 6 59.020 -9.805 -9.668 52 HZ3 LYS 6 HZ3 LYS 6 60.345 -10.150 -8.660 53 H ALA 7 HN ALA 7 58.550 -11.121 -2.041 54 HA ALA 7 HA ALA 7 56.084 -10.354 -0.890 55 HB1 ALA 7 HB1 ALA 7 57.856 -12.501 -0.800 56 HB2 ALA 7 HB2 ALA 7 56.319 -12.407 0.058 57 HB3 ALA 7 HB3 ALA 7 57.812 -11.940 0.870 58 H ALA 8 HN ALA 8 59.404 -9.822 0.345 59 HA ALA 8 HA ALA 8 58.687 -8.604 2.850 60 HB1 ALA 8 HB1 ALA 8 61.026 -7.779 2.745 61 HB2 ALA 8 HB2 ALA 8 61.096 -8.192 1.033 62 HB3 ALA 8 HB3 ALA 8 60.935 -9.466 2.242 63 H VAL 9 HN VAL 9 59.702 -7.054 -0.227 64 HA VAL 9 HA VAL 9 59.228 -4.353 0.464 65 HB VAL 9 HB VAL 9 58.939 -5.862 -2.160 66 HG11 VAL 9 HG11 VAL 9 59.174 -2.880 -1.662 67 HG12 VAL 9 HG12 VAL 9 57.776 -3.715 -2.341 68 HG13 VAL 9 HG13 VAL 9 59.292 -3.657 -3.239 69 HG21 VAL 9 HG21 VAL 9 61.221 -4.226 -2.156 70 HG22 VAL 9 HG22 VAL 9 61.192 -5.979 -1.979 71 HG23 VAL 9 HG23 VAL 9 61.188 -4.949 -0.548 72 H GLU 10 HN GLU 10 56.928 -6.728 -0.933 73 HA GLU 10 HA GLU 10 54.697 -4.901 -1.085 74 HB2 GLU 10 HB2 GLU 10 55.046 -7.082 -2.324 75 HB3 GLU 10 HB1 GLU 10 54.684 -7.925 -0.816 76 HG2 GLU 10 HG2 GLU 10 52.579 -6.157 -0.995 77 HG3 GLU 10 HG1 GLU 10 52.858 -6.561 -2.687 78 H GLN 11 HN GLN 11 55.655 -7.316 1.404 79 HA GLN 11 HA GLN 11 53.322 -6.730 3.074 80 HB2 GLN 11 HB2 GLN 11 55.520 -8.625 2.916 81 HB3 GLN 11 HB1 GLN 11 55.257 -8.096 4.576 82 HG2 GLN 11 HG2 GLN 11 53.002 -8.820 4.574 83 HG3 GLN 11 HG1 GLN 11 52.952 -8.930 2.814 84 HE21 GLN 11 HE21 GLN 11 54.617 -10.607 1.883 85 HE22 GLN 11 HE22 GLN 11 54.789 -12.053 2.757 86 H LEU 12 HN LEU 12 56.327 -5.131 2.654 87 HA LEU 12 HA LEU 12 57.104 -4.342 5.240 88 HB2 LEU 12 HB2 LEU 12 57.255 -3.273 2.466 89 HB3 LEU 12 HB1 LEU 12 57.587 -2.114 3.755 90 HG LEU 12 HG LEU 12 58.917 -4.834 3.566 91 HD11 LEU 12 HD11 LEU 12 59.330 -2.547 1.934 92 HD12 LEU 12 HD12 LEU 12 60.346 -3.986 2.039 93 HD13 LEU 12 HD13 LEU 12 60.672 -2.598 3.076 94 HD21 LEU 12 HD21 LEU 12 60.546 -3.120 4.984 95 HD22 LEU 12 HD22 LEU 12 59.412 -4.253 5.717 96 HD23 LEU 12 HD23 LEU 12 58.942 -2.572 5.469 97 H THR 13 HN THR 13 56.092 -3.131 6.813 98 HA THR 13 HA THR 13 53.387 -2.225 6.564 99 HB THR 13 HB THR 13 53.895 -1.129 8.776 100 HG1 THR 13 HG1 THR 13 55.891 -0.898 9.396 101 HG21 THR 13 HG21 THR 13 53.205 -3.339 9.038 102 HG22 THR 13 HG22 THR 13 54.786 -3.363 9.817 103 HG23 THR 13 HG23 THR 13 54.606 -3.982 8.177 104 H GLU 14 HN GLU 14 52.597 -0.008 6.827 105 HA GLU 14 HA GLU 14 53.505 1.823 4.855 106 HB2 GLU 14 HB2 GLU 14 51.247 1.581 6.041 107 HB3 GLU 14 HB1 GLU 14 51.951 2.510 7.365 108 HG2 GLU 14 HG2 GLU 14 52.547 4.297 5.676 109 HG3 GLU 14 HG1 GLU 14 51.611 3.396 4.486 110 H GLU 15 HN GLU 15 54.265 1.672 8.346 111 HA GLU 15 HA GLU 15 55.575 4.159 8.716 112 HB2 GLU 15 HB2 GLU 15 56.284 1.415 9.823 113 HB3 GLU 15 HB1 GLU 15 56.752 2.957 10.535 114 HG2 GLU 15 HG2 GLU 15 54.832 2.818 11.732 115 HG3 GLU 15 HG1 GLU 15 54.005 3.215 10.227 116 H GLN 16 HN GLN 16 57.040 1.036 7.722 117 HA GLN 16 HA GLN 16 59.671 2.108 7.182 118 HB2 GLN 16 HB2 GLN 16 58.229 -0.358 6.135 119 HB3 GLN 16 HB1 GLN 16 59.972 -0.097 6.081 120 HG2 GLN 16 HG2 GLN 16 59.871 0.167 8.625 121 HG3 GLN 16 HG1 GLN 16 58.228 -0.468 8.526 122 HE21 GLN 16 HE21 GLN 16 58.044 -2.732 8.529 123 HE22 GLN 16 HE22 GLN 16 59.327 -3.798 8.221 124 H LYS 17 HN LYS 17 56.819 1.451 5.155 125 HA LYS 17 HA LYS 17 57.897 2.025 2.589 126 HB2 LYS 17 HB2 LYS 17 55.383 1.528 3.821 127 HB3 LYS 17 HB1 LYS 17 55.197 3.015 2.893 128 HG2 LYS 17 HG2 LYS 17 54.810 1.565 1.171 129 HG3 LYS 17 HG1 LYS 17 56.571 1.523 1.096 130 HD2 LYS 17 HD2 LYS 17 56.699 -0.586 2.003 131 HD3 LYS 17 HD1 LYS 17 55.268 -0.351 3.014 132 HE2 LYS 17 HE2 LYS 17 53.840 -0.495 0.961 133 HE3 LYS 17 HE1 LYS 17 55.299 -0.870 0.021 134 HZ1 LYS 17 HZ1 LYS 17 54.001 -2.836 0.962 135 HZ2 LYS 17 HZ2 LYS 17 54.613 -2.375 2.481 136 HZ3 LYS 17 HZ3 LYS 17 55.676 -2.817 1.229 137 H ASN 18 HN ASN 18 56.312 4.245 4.929 138 HA ASN 18 HA ASN 18 56.655 6.624 3.339 139 HB2 ASN 18 HB2 ASN 18 55.289 7.341 4.996 140 HB3 ASN 18 HB1 ASN 18 55.516 5.804 5.826 141 HD21 ASN 18 HD21 ASN 18 57.048 9.044 5.470 142 HD22 ASN 18 HD22 ASN 18 57.722 9.057 7.027 143 H GLU 19 HN GLU 19 58.643 5.125 5.895 144 HA GLU 19 HA GLU 19 60.617 7.203 6.098 145 HB2 GLU 19 HB2 GLU 19 60.567 4.220 6.605 146 HB3 GLU 19 HB1 GLU 19 61.980 5.208 6.980 147 HG2 GLU 19 HG2 GLU 19 59.454 6.342 7.969 148 HG3 GLU 19 HG1 GLU 19 59.852 4.778 8.679 149 H PHE 20 HN PHE 20 60.338 4.367 3.977 150 HA PHE 20 HA PHE 20 62.954 4.498 2.797 151 HB2 PHE 20 HB2 PHE 20 60.252 3.364 2.065 152 HB3 PHE 20 HB1 PHE 20 61.608 3.212 0.953 153 HD1 PHE 20 HD1 PHE 20 62.256 3.265 4.578 154 HD2 PHE 20 HD2 PHE 20 61.538 0.752 1.165 155 HE1 PHE 20 HE1 PHE 20 63.057 1.299 5.854 156 HE2 PHE 20 HE2 PHE 20 62.344 -1.209 2.442 157 HZ PHE 20 HZ PHE 20 63.104 -0.938 4.788 158 H LYS 21 HN LYS 21 59.856 6.062 1.933 159 HA LYS 21 HA LYS 21 60.964 7.279 -0.512 160 HB2 LYS 21 HB2 LYS 21 58.632 6.581 -0.389 161 HB3 LYS 21 HB1 LYS 21 58.370 7.580 1.038 162 HG2 LYS 21 HG2 LYS 21 57.514 8.679 -1.012 163 HG3 LYS 21 HG1 LYS 21 58.822 9.608 -0.274 164 HD2 LYS 21 HD2 LYS 21 60.340 9.066 -1.949 165 HD3 LYS 21 HD1 LYS 21 59.503 7.573 -2.370 166 HE2 LYS 21 HE2 LYS 21 58.223 8.629 -3.920 167 HE3 LYS 21 HE1 LYS 21 57.820 9.938 -2.792 168 HZ1 LYS 21 HZ1 LYS 21 60.108 10.799 -3.133 169 HZ2 LYS 21 HZ2 LYS 21 59.158 10.848 -4.541 170 HZ3 LYS 21 HZ3 LYS 21 60.335 9.638 -4.350 171 H ALA 22 HN ALA 22 59.850 8.455 2.690 172 HA ALA 22 HA ALA 22 60.447 11.209 2.354 173 HB1 ALA 22 HB1 ALA 22 59.139 10.293 4.209 174 HB2 ALA 22 HB2 ALA 22 60.527 11.170 4.858 175 HB3 ALA 22 HB3 ALA 22 60.548 9.408 4.792 176 H ALA 23 HN ALA 23 62.536 8.582 3.668 177 HA ALA 23 HA ALA 23 64.830 10.255 4.144 178 HB1 ALA 23 HB1 ALA 23 64.716 7.303 3.458 179 HB2 ALA 23 HB2 ALA 23 64.381 7.958 5.061 180 HB3 ALA 23 HB3 ALA 23 65.989 8.126 4.357 181 H PHE 24 HN PHE 24 63.925 8.207 1.343 182 HA PHE 24 HA PHE 24 66.206 8.573 -0.277 183 HB2 PHE 24 HB2 PHE 24 63.914 7.238 -0.479 184 HB3 PHE 24 HB1 PHE 24 63.452 8.623 -1.465 185 HD1 PHE 24 HD1 PHE 24 66.076 6.021 -1.032 186 HD2 PHE 24 HD2 PHE 24 64.219 8.831 -3.690 187 HE1 PHE 24 HE1 PHE 24 67.367 5.078 -2.923 188 HE2 PHE 24 HE2 PHE 24 65.512 7.890 -5.589 189 HZ PHE 24 HZ PHE 24 67.086 6.017 -5.204 190 H ASP 25 HN ASP 25 63.295 10.659 -0.057 191 HA ASP 25 HA ASP 25 64.019 12.543 -2.076 192 HB2 ASP 25 HB2 ASP 25 62.198 12.374 0.275 193 HB3 ASP 25 HB1 ASP 25 62.505 13.987 -0.367 194 H ILE 26 HN ILE 26 65.145 12.236 1.262 195 HA ILE 26 HA ILE 26 66.069 14.902 1.717 196 HB ILE 26 HB ILE 26 66.987 12.172 2.673 197 HG12 ILE 26 HG12 ILE 26 65.470 14.346 4.133 198 HG13 ILE 26 HG11 ILE 26 64.666 13.071 3.223 199 HG21 ILE 26 HG21 ILE 26 68.819 13.186 3.516 200 HG22 ILE 26 HG22 ILE 26 67.732 14.085 4.576 201 HG23 ILE 26 HG23 ILE 26 68.238 14.781 3.040 202 HD11 ILE 26 HD11 ILE 26 66.384 11.573 4.693 203 HD12 ILE 26 HD12 ILE 26 64.753 11.967 5.231 204 HD13 ILE 26 HD13 ILE 26 66.125 12.915 5.806 205 H PHE 27 HN PHE 27 67.711 12.112 0.177 206 HA PHE 27 HA PHE 27 70.033 13.862 -0.430 207 HB2 PHE 27 HB2 PHE 27 70.275 11.221 -1.562 208 HB3 PHE 27 HB1 PHE 27 71.226 11.967 -0.294 209 HD1 PHE 27 HD2 PHE 27 70.008 12.060 2.088 210 HD2 PHE 27 HD1 PHE 27 69.074 9.275 -1.047 211 HE1 PHE 27 HE2 PHE 27 69.042 10.507 3.761 212 HE2 PHE 27 HE1 PHE 27 68.108 7.720 0.627 213 HZ PHE 27 HZ PHE 27 68.093 8.335 3.029 214 H VAL 28 HN VAL 28 67.298 12.366 -2.054 215 HA VAL 28 HA VAL 28 68.205 12.653 -4.761 216 HB VAL 28 HB VAL 28 65.504 12.574 -3.394 217 HG11 VAL 28 HG11 VAL 28 64.964 11.864 -5.958 218 HG12 VAL 28 HG12 VAL 28 66.207 13.083 -6.236 219 HG13 VAL 28 HG13 VAL 28 64.744 13.504 -5.345 220 HG21 VAL 28 HG21 VAL 28 67.465 10.655 -3.971 221 HG22 VAL 28 HG22 VAL 28 66.232 10.421 -5.209 222 HG23 VAL 28 HG23 VAL 28 65.794 10.341 -3.503 223 H GLN 29 HN GLN 29 66.854 14.957 -2.450 224 HA GLN 29 HA GLN 29 66.000 17.036 -4.188 225 HB2 GLN 29 HB2 GLN 29 67.028 16.772 -1.394 226 HB3 GLN 29 HB1 GLN 29 66.992 18.395 -2.076 227 HG2 GLN 29 HG2 GLN 29 64.591 16.574 -2.235 228 HG3 GLN 29 HG1 GLN 29 64.878 17.596 -0.827 229 HE21 GLN 29 HE21 GLN 29 63.490 17.555 -3.944 230 HE22 GLN 29 HE22 GLN 29 63.307 19.231 -4.141 231 H GLY 30 HN GLY 30 69.259 16.296 -2.913 232 HA2 GLY 30 HA2 GLY 30 70.419 18.455 -4.592 233 HA3 GLY 30 HA1 GLY 30 71.275 17.555 -3.341 234 H ALA 31 HN ALA 31 69.338 16.336 -6.094 235 HA ALA 31 HA ALA 31 71.826 15.135 -7.241 236 HB1 ALA 31 HB1 ALA 31 69.309 13.805 -6.256 237 HB2 ALA 31 HB2 ALA 31 70.986 13.368 -5.927 238 HB3 ALA 31 HB3 ALA 31 70.283 13.046 -7.513 239 H GLU 32 HN GLU 32 71.768 14.950 -9.489 240 HA GLU 32 HA GLU 32 69.749 16.505 -10.916 241 HB2 GLU 32 HB2 GLU 32 72.293 15.042 -11.496 242 HB3 GLU 32 HB1 GLU 32 71.232 15.405 -12.857 243 HG2 GLU 32 HG2 GLU 32 72.349 17.401 -12.842 244 HG3 GLU 32 HG1 GLU 32 71.184 17.799 -11.579 245 H ASP 33 HN ASP 33 70.567 13.035 -10.680 246 HA ASP 33 HA ASP 33 68.176 12.360 -12.343 247 HB2 ASP 33 HB2 ASP 33 70.812 11.150 -11.655 248 HB3 ASP 33 HB1 ASP 33 69.478 10.024 -11.911 249 H GLY 34 HN GLY 34 69.579 11.939 -9.110 250 HA2 GLY 34 HA2 GLY 34 68.107 11.709 -7.162 251 HA3 GLY 34 HA1 GLY 34 66.957 10.852 -8.186 252 H SER 35 HN SER 35 70.477 10.409 -7.649 253 HA SER 35 HA SER 35 69.889 7.604 -6.750 254 HB2 SER 35 HB2 SER 35 71.497 8.668 -9.010 255 HB3 SER 35 HB1 SER 35 72.250 7.370 -8.092 256 HG SER 35 HG SER 35 71.019 6.253 -9.450 257 H ILE 36 HN ILE 36 71.167 6.907 -5.008 258 HA ILE 36 HA ILE 36 72.849 8.968 -3.691 259 HB ILE 36 HB ILE 36 72.015 6.179 -2.806 260 HG12 ILE 36 HG12 ILE 36 70.748 8.599 -1.640 261 HG13 ILE 36 HG11 ILE 36 70.295 8.227 -3.303 262 HG21 ILE 36 HG21 ILE 36 72.442 7.172 -0.522 263 HG22 ILE 36 HG22 ILE 36 73.161 8.565 -1.328 264 HG23 ILE 36 HG23 ILE 36 73.893 6.970 -1.506 265 HD11 ILE 36 HD11 ILE 36 68.859 7.136 -1.501 266 HD12 ILE 36 HD12 ILE 36 70.267 6.145 -1.111 267 HD13 ILE 36 HD13 ILE 36 69.531 6.042 -2.709 268 H SER 37 HN SER 37 75.093 8.751 -3.374 269 HA SER 37 HA SER 37 76.489 6.760 -5.067 270 HB2 SER 37 HB2 SER 37 77.151 9.155 -5.012 271 HB3 SER 37 HB1 SER 37 77.501 9.012 -3.290 272 HG SER 37 HG SER 37 79.390 8.732 -4.532 273 H THR 38 HN THR 38 78.421 5.602 -4.079 274 HA THR 38 HA THR 38 77.665 3.960 -1.867 275 HB THR 38 HB THR 38 80.120 3.323 -1.949 276 HG1 THR 38 HG1 THR 38 81.420 4.685 -2.840 277 HG21 THR 38 HG21 THR 38 79.991 2.662 -4.445 278 HG22 THR 38 HG22 THR 38 78.415 3.453 -4.431 279 HG23 THR 38 HG23 THR 38 78.718 2.073 -3.376 280 H LYS 39 HN LYS 39 79.671 6.896 -2.033 281 HA LYS 39 HA LYS 39 80.586 6.878 0.697 282 HB2 LYS 39 HB2 LYS 39 81.390 8.215 -1.351 283 HB3 LYS 39 HB1 LYS 39 80.045 9.311 -1.027 284 HG2 LYS 39 HG2 LYS 39 81.722 8.627 1.322 285 HG3 LYS 39 HG1 LYS 39 82.519 9.593 0.082 286 HD2 LYS 39 HD2 LYS 39 79.763 10.381 0.968 287 HD3 LYS 39 HD1 LYS 39 81.129 10.759 2.015 288 HE2 LYS 39 HE2 LYS 39 82.194 12.077 0.299 289 HE3 LYS 39 HE1 LYS 39 81.038 11.517 -0.926 290 HZ1 LYS 39 HZ1 LYS 39 79.284 12.398 0.734 291 HZ2 LYS 39 HZ2 LYS 39 80.113 13.518 -0.240 292 HZ3 LYS 39 HZ3 LYS 39 80.566 13.301 1.382 293 H GLU 40 HN GLU 40 77.604 8.014 -0.825 294 HA GLU 40 HA GLU 40 76.657 9.387 1.610 295 HB2 GLU 40 HB2 GLU 40 75.442 8.764 -1.103 296 HB3 GLU 40 HB1 GLU 40 74.633 9.716 0.141 297 HG2 GLU 40 HG2 GLU 40 77.321 10.403 -1.088 298 HG3 GLU 40 HG1 GLU 40 75.789 11.153 -1.527 299 H LEU 41 HN LEU 41 76.297 6.268 0.007 300 HA LEU 41 HA LEU 41 73.864 5.377 1.133 301 HB2 LEU 41 HB2 LEU 41 75.889 4.377 -0.473 302 HB3 LEU 41 HB1 LEU 41 75.946 3.325 0.943 303 HG LEU 41 HG LEU 41 74.368 2.467 -0.774 304 HD11 LEU 41 HD11 LEU 41 73.332 1.624 1.035 305 HD12 LEU 41 HD12 LEU 41 72.280 3.040 1.035 306 HD13 LEU 41 HD13 LEU 41 73.761 3.040 1.994 307 HD21 LEU 41 HD21 LEU 41 72.659 3.730 -1.662 308 HD22 LEU 41 HD22 LEU 41 73.792 5.036 -1.318 309 HD23 LEU 41 HD23 LEU 41 72.469 4.698 -0.201 310 H GLY 42 HN GLY 42 77.141 5.367 2.534 311 HA2 GLY 42 HA2 GLY 42 76.617 3.760 4.813 312 HA3 GLY 42 HA1 GLY 42 77.820 5.052 4.770 313 H LYS 43 HN LYS 43 76.241 7.301 4.407 314 HA LYS 43 HA LYS 43 75.183 7.801 7.046 315 HB2 LYS 43 HB2 LYS 43 75.594 9.188 4.492 316 HB3 LYS 43 HB1 LYS 43 74.147 9.741 5.338 317 HG2 LYS 43 HG2 LYS 43 75.672 9.834 7.439 318 HG3 LYS 43 HG1 LYS 43 77.006 9.774 6.291 319 HD2 LYS 43 HD2 LYS 43 76.017 11.747 5.114 320 HD3 LYS 43 HD1 LYS 43 74.801 11.850 6.391 321 HE2 LYS 43 HE2 LYS 43 76.645 12.085 8.086 322 HE3 LYS 43 HE1 LYS 43 77.814 12.106 6.749 323 HZ1 LYS 43 HZ1 LYS 43 76.628 13.974 5.780 324 HZ2 LYS 43 HZ2 LYS 43 77.152 14.352 7.349 325 HZ3 LYS 43 HZ3 LYS 43 75.520 13.972 7.067 326 H VAL 44 HN VAL 44 73.634 7.078 3.909 327 HA VAL 44 HA VAL 44 70.907 7.429 4.636 328 HB VAL 44 HB VAL 44 72.413 5.637 2.715 329 HG11 VAL 44 HG11 VAL 44 69.561 5.534 3.477 330 HG12 VAL 44 HG12 VAL 44 70.558 4.319 2.674 331 HG13 VAL 44 HG13 VAL 44 69.856 5.645 1.742 332 HG21 VAL 44 HG21 VAL 44 71.070 7.234 1.122 333 HG22 VAL 44 HG22 VAL 44 72.498 7.850 1.950 334 HG23 VAL 44 HG23 VAL 44 70.890 8.230 2.566 335 H MET 45 HN MET 45 73.009 4.541 4.907 336 HA MET 45 HA MET 45 70.990 2.825 6.078 337 HB2 MET 45 HB2 MET 45 74.030 2.724 6.164 338 HB3 MET 45 HB1 MET 45 72.949 1.376 6.519 339 HG2 MET 45 HG2 MET 45 72.196 2.487 3.993 340 HG3 MET 45 HG1 MET 45 73.937 2.194 3.973 341 HE1 MET 45 HE1 MET 45 70.567 1.226 4.524 342 HE2 MET 45 HE2 MET 45 70.762 -0.131 5.633 343 HE3 MET 45 HE3 MET 45 70.392 -0.431 3.933 344 H ARG 46 HN ARG 46 73.796 4.569 7.504 345 HA ARG 46 HA ARG 46 73.329 3.904 10.226 346 HB2 ARG 46 HB2 ARG 46 74.742 5.992 8.648 347 HB3 ARG 46 HB1 ARG 46 74.446 6.376 10.344 348 HG2 ARG 46 HG2 ARG 46 75.539 3.670 9.632 349 HG3 ARG 46 HG1 ARG 46 76.626 5.058 9.661 350 HD2 ARG 46 HD2 ARG 46 76.774 4.359 11.885 351 HD3 ARG 46 HD1 ARG 46 75.429 5.510 12.006 352 HE ARG 46 HE ARG 46 74.724 2.706 11.351 353 HH11 ARG 46 HH11 ARG 46 72.763 4.734 12.378 354 HH12 ARG 46 HH12 ARG 46 72.585 4.247 14.027 355 HH21 ARG 46 HH21 ARG 46 75.509 2.368 14.040 356 HH22 ARG 46 HH22 ARG 46 74.164 2.912 14.981 357 H MET 47 HN MET 47 71.788 6.316 8.163 358 HA MET 47 HA MET 47 70.471 7.769 10.327 359 HB2 MET 47 HB2 MET 47 71.096 8.688 8.092 360 HB3 MET 47 HB1 MET 47 69.912 7.615 7.343 361 HG2 MET 47 HG2 MET 47 68.108 8.816 8.159 362 HG3 MET 47 HG1 MET 47 69.001 9.396 9.567 363 HE1 MET 47 HE1 MET 47 67.213 10.833 6.791 364 HE2 MET 47 HE2 MET 47 68.169 9.628 5.935 365 HE3 MET 47 HE3 MET 47 68.385 11.338 5.567 366 H LEU 48 HN LEU 48 69.599 5.076 8.149 367 HA LEU 48 HA LEU 48 66.803 5.039 9.099 368 HB2 LEU 48 HB2 LEU 48 68.411 3.970 6.922 369 HB3 LEU 48 HB1 LEU 48 67.381 2.720 7.625 370 HG LEU 48 HG LEU 48 65.537 4.603 7.538 371 HD11 LEU 48 HD11 LEU 48 65.836 6.333 6.045 372 HD12 LEU 48 HD12 LEU 48 67.004 5.435 5.074 373 HD13 LEU 48 HD13 LEU 48 67.498 6.152 6.606 374 HD21 LEU 48 HD21 LEU 48 66.565 2.981 5.205 375 HD22 LEU 48 HD22 LEU 48 65.036 3.857 5.155 376 HD23 LEU 48 HD23 LEU 48 65.272 2.559 6.327 377 H GLY 49 HN GLY 49 69.418 4.213 10.792 378 HA2 GLY 49 HA2 GLY 49 69.511 2.881 12.757 379 HA3 GLY 49 HA1 GLY 49 67.995 2.123 12.286 380 H GLN 50 HN GLN 50 70.920 2.345 10.281 381 HA GLN 50 HA GLN 50 71.060 -0.657 10.306 382 HB2 GLN 50 HB2 GLN 50 72.216 1.193 8.206 383 HB3 GLN 50 HB1 GLN 50 71.795 -0.509 8.045 384 HG2 GLN 50 HG2 GLN 50 69.736 1.654 8.561 385 HG3 GLN 50 HG1 GLN 50 70.175 1.111 6.942 386 HE21 GLN 50 HE21 GLN 50 67.952 0.573 9.410 387 HE22 GLN 50 HE22 GLN 50 67.483 -1.007 9.002 388 H ASN 51 HN ASN 51 73.127 -1.606 10.667 389 HA ASN 51 HA ASN 51 75.316 0.313 11.408 390 HB2 ASN 51 HB2 ASN 51 75.907 -1.475 13.125 391 HB3 ASN 51 HB1 ASN 51 74.389 -0.633 13.416 392 HD21 ASN 51 HD21 ASN 51 75.788 -3.743 12.399 393 HD22 ASN 51 HD22 ASN 51 74.340 -4.621 12.517 394 HA PRO 52 HA PRO 52 76.760 -3.036 8.420 395 HB2 PRO 52 HB2 PRO 52 76.927 -1.588 6.108 396 HB3 PRO 52 HB1 PRO 52 75.468 -2.475 6.580 397 HG2 PRO 52 HG2 PRO 52 76.049 0.426 6.742 398 HG3 PRO 52 HG1 PRO 52 74.525 -0.406 6.410 399 HD2 PRO 52 HD2 PRO 52 75.221 0.721 8.832 400 HD3 PRO 52 HD1 PRO 52 73.987 -0.538 8.608 401 H THR 53 HN THR 53 78.971 -3.112 7.618 402 HA THR 53 HA THR 53 80.703 -0.996 8.750 403 HB THR 53 HB THR 53 82.475 -2.716 8.197 404 HG1 THR 53 HG1 THR 53 81.943 -4.458 7.129 405 HG21 THR 53 HG21 THR 53 80.077 -3.706 9.768 406 HG22 THR 53 HG22 THR 53 81.365 -2.677 10.394 407 HG23 THR 53 HG23 THR 53 81.721 -4.333 9.901 408 HA PRO 54 HA PRO 54 81.570 0.966 4.932 409 HB2 PRO 54 HB2 PRO 54 84.251 1.518 5.187 410 HB3 PRO 54 HB1 PRO 54 82.981 2.402 6.061 411 HG2 PRO 54 HG2 PRO 54 84.726 0.173 7.004 412 HG3 PRO 54 HG1 PRO 54 84.238 1.652 7.847 413 HD2 PRO 54 HD2 PRO 54 83.077 -0.734 8.339 414 HD3 PRO 54 HD1 PRO 54 82.173 0.796 8.433 415 H GLU 55 HN GLU 55 83.935 -1.580 5.822 416 HA GLU 55 HA GLU 55 84.936 -1.979 3.144 417 HB2 GLU 55 HB2 GLU 55 85.891 -4.024 4.129 418 HB3 GLU 55 HB1 GLU 55 86.091 -2.658 5.221 419 HG2 GLU 55 HG2 GLU 55 83.564 -3.969 5.736 420 HG3 GLU 55 HG1 GLU 55 84.879 -5.138 5.804 421 H GLU 56 HN GLU 56 82.089 -3.206 4.825 422 HA GLU 56 HA GLU 56 81.553 -5.233 2.728 423 HB2 GLU 56 HB2 GLU 56 80.437 -4.407 5.381 424 HB3 GLU 56 HB1 GLU 56 79.379 -5.281 4.280 425 HG2 GLU 56 HG2 GLU 56 82.108 -6.404 4.575 426 HG3 GLU 56 HG1 GLU 56 81.081 -6.516 6.004 427 H LEU 57 HN LEU 57 80.493 -1.987 3.679 428 HA LEU 57 HA LEU 57 78.050 -1.773 2.273 429 HB2 LEU 57 HB2 LEU 57 79.155 -0.119 3.834 430 HB3 LEU 57 HB1 LEU 57 80.212 0.342 2.498 431 HG LEU 57 HG LEU 57 78.049 0.711 1.147 432 HD11 LEU 57 HD11 LEU 57 76.114 1.342 2.691 433 HD12 LEU 57 HD12 LEU 57 76.980 0.480 3.964 434 HD13 LEU 57 HD13 LEU 57 76.444 -0.383 2.524 435 HD21 LEU 57 HD21 LEU 57 79.162 2.391 3.343 436 HD22 LEU 57 HD22 LEU 57 77.634 2.910 2.628 437 HD23 LEU 57 HD23 LEU 57 79.061 2.718 1.612 438 H GLN 58 HN GLN 58 81.376 -1.643 1.022 439 HA GLN 58 HA GLN 58 80.868 -0.576 -1.565 440 HB2 GLN 58 HB2 GLN 58 83.066 -1.175 -0.318 441 HB3 GLN 58 HB1 GLN 58 82.832 -2.799 -0.966 442 HG2 GLN 58 HG2 GLN 58 82.560 -0.558 -2.904 443 HG3 GLN 58 HG1 GLN 58 84.186 -0.877 -2.300 444 HE21 GLN 58 HE21 GLN 58 81.628 -2.101 -4.355 445 HE22 GLN 58 HE22 GLN 58 82.460 -3.477 -4.896 446 H GLU 59 HN GLU 59 81.192 -4.078 -0.724 447 HA GLU 59 HA GLU 59 80.077 -4.966 -3.241 448 HB2 GLU 59 HB2 GLU 59 80.292 -7.143 -2.272 449 HB3 GLU 59 HB1 GLU 59 81.614 -6.199 -1.598 450 HG2 GLU 59 HG2 GLU 59 80.853 -6.935 0.413 451 HG3 GLU 59 HG1 GLU 59 79.601 -5.716 0.218 452 H MET 60 HN MET 60 78.670 -4.064 -0.147 453 HA MET 60 HA MET 60 76.116 -5.326 -0.333 454 HB2 MET 60 HB2 MET 60 77.407 -3.045 1.055 455 HB3 MET 60 HB1 MET 60 75.650 -2.972 0.964 456 HG2 MET 60 HG2 MET 60 75.828 -5.509 1.718 457 HG3 MET 60 HG1 MET 60 77.397 -4.992 2.334 458 HE1 MET 60 HE1 MET 60 73.243 -3.504 3.291 459 HE2 MET 60 HE2 MET 60 73.970 -3.906 1.734 460 HE3 MET 60 HE3 MET 60 74.197 -2.295 2.420 461 H ILE 61 HN ILE 61 77.259 -2.167 -1.548 462 HA ILE 61 HA ILE 61 74.680 -1.486 -2.762 463 HB ILE 61 HB ILE 61 77.457 -0.340 -2.566 464 HG12 ILE 61 HG12 ILE 61 74.813 1.029 -2.065 465 HG13 ILE 61 HG11 ILE 61 75.484 -0.084 -0.877 466 HG21 ILE 61 HG21 ILE 61 77.185 0.426 -4.715 467 HG22 ILE 61 HG22 ILE 61 76.199 1.640 -3.903 468 HG23 ILE 61 HG23 ILE 61 75.430 0.249 -4.670 469 HD11 ILE 61 HD11 ILE 61 76.333 2.638 -1.576 470 HD12 ILE 61 HD12 ILE 61 77.666 1.485 -1.516 471 HD13 ILE 61 HD13 ILE 61 76.631 1.710 -0.104 472 H ASP 62 HN ASP 62 77.933 -2.318 -4.056 473 HA ASP 62 HA ASP 62 77.269 -2.341 -6.819 474 HB2 ASP 62 HB2 ASP 62 79.323 -3.609 -5.038 475 HB3 ASP 62 HB1 ASP 62 79.254 -4.104 -6.730 476 H GLU 63 HN GLU 63 76.913 -4.923 -4.373 477 HA GLU 63 HA GLU 63 76.324 -7.101 -6.117 478 HB2 GLU 63 HB2 GLU 63 76.815 -7.339 -3.736 479 HB3 GLU 63 HB1 GLU 63 75.372 -6.417 -3.314 480 HG2 GLU 63 HG2 GLU 63 74.495 -8.532 -3.088 481 HG3 GLU 63 HG1 GLU 63 74.209 -8.326 -4.814 482 H VAL 64 HN VAL 64 74.078 -4.776 -4.536 483 HA VAL 64 HA VAL 64 71.721 -5.876 -5.865 484 HB VAL 64 HB VAL 64 72.169 -3.214 -4.457 485 HG11 VAL 64 HG11 VAL 64 69.554 -4.629 -4.420 486 HG12 VAL 64 HG12 VAL 64 70.019 -3.895 -5.954 487 HG13 VAL 64 HG13 VAL 64 69.901 -2.902 -4.502 488 HG21 VAL 64 HG21 VAL 64 72.236 -5.879 -3.433 489 HG22 VAL 64 HG22 VAL 64 70.720 -5.151 -2.904 490 HG23 VAL 64 HG23 VAL 64 72.253 -4.371 -2.521 491 H ASP 65 HN ASP 65 74.086 -3.377 -6.643 492 HA ASP 65 HA ASP 65 72.551 -1.924 -8.591 493 HB2 ASP 65 HB2 ASP 65 74.913 -1.591 -7.362 494 HB3 ASP 65 HB1 ASP 65 75.508 -2.284 -8.871 495 H GLU 66 HN GLU 66 71.488 -3.355 -10.028 496 HA GLU 66 HA GLU 66 73.021 -5.438 -11.456 497 HB2 GLU 66 HB2 GLU 66 70.143 -4.488 -11.487 498 HB3 GLU 66 HB1 GLU 66 70.728 -5.849 -12.440 499 HG2 GLU 66 HG2 GLU 66 71.657 -6.202 -9.757 500 HG3 GLU 66 HG1 GLU 66 69.936 -5.831 -9.688 501 H ASP 67 HN ASP 67 71.504 -2.291 -12.199 502 HA ASP 67 HA ASP 67 71.884 -2.421 -15.055 503 HB2 ASP 67 HB2 ASP 67 71.595 0.109 -14.812 504 HB3 ASP 67 HB1 ASP 67 70.300 -0.877 -14.139 505 H GLY 68 HN GLY 68 74.091 -1.707 -12.429 506 HA2 GLY 68 HA2 GLY 68 76.450 -1.554 -12.581 507 HA3 GLY 68 HA1 GLY 68 76.310 -1.527 -14.337 508 H SER 69 HN SER 69 74.876 0.643 -11.870 509 HA SER 69 HA SER 69 76.041 2.945 -13.385 510 HB2 SER 69 HB2 SER 69 74.251 4.221 -12.433 511 HB3 SER 69 HB1 SER 69 73.544 2.691 -12.933 512 HG SER 69 HG SER 69 73.695 3.802 -10.484 513 H GLY 70 HN GLY 70 76.063 1.343 -10.239 514 HA2 GLY 70 HA2 GLY 70 77.936 1.567 -8.718 515 HA3 GLY 70 HA1 GLY 70 78.280 3.150 -9.417 516 H THR 71 HN THR 71 75.297 3.789 -9.262 517 HA THR 71 HA THR 71 75.309 4.568 -6.378 518 HB THR 71 HB THR 71 73.779 6.372 -7.205 519 HG1 THR 71 HG1 THR 71 72.879 5.510 -9.004 520 HG21 THR 71 HG21 THR 71 76.577 5.975 -7.851 521 HG22 THR 71 HG22 THR 71 75.752 7.439 -7.318 522 HG23 THR 71 HG23 THR 71 75.798 7.032 -9.031 523 H VAL 72 HN VAL 72 73.501 4.126 -5.096 524 HA VAL 72 HA VAL 72 71.715 2.000 -6.066 525 HB VAL 72 HB VAL 72 72.150 3.407 -3.421 526 HG11 VAL 72 HG11 VAL 72 69.858 1.924 -4.258 527 HG12 VAL 72 HG12 VAL 72 70.233 2.523 -2.644 528 HG13 VAL 72 HG13 VAL 72 70.767 0.916 -3.133 529 HG21 VAL 72 HG21 VAL 72 72.826 0.874 -2.967 530 HG22 VAL 72 HG22 VAL 72 73.966 2.003 -3.699 531 HG23 VAL 72 HG23 VAL 72 73.071 0.870 -4.713 532 H ASP 73 HN ASP 73 69.495 2.189 -6.362 533 HA ASP 73 HA ASP 73 68.330 4.955 -6.251 534 HB2 ASP 73 HB2 ASP 73 66.896 4.071 -8.164 535 HB3 ASP 73 HB1 ASP 73 68.613 4.211 -8.532 536 H PHE 74 HN PHE 74 65.618 4.140 -6.664 537 HA PHE 74 HA PHE 74 64.850 3.416 -3.978 538 HB2 PHE 74 HB2 PHE 74 63.663 4.688 -6.021 539 HB3 PHE 74 HB1 PHE 74 62.970 3.087 -6.282 540 HD1 PHE 74 HD2 PHE 74 63.435 5.764 -3.730 541 HD2 PHE 74 HD1 PHE 74 61.247 2.247 -4.871 542 HE1 PHE 74 HE2 PHE 74 61.848 6.146 -1.866 543 HE2 PHE 74 HE1 PHE 74 59.658 2.631 -3.004 544 HZ PHE 74 HZ PHE 74 59.959 4.581 -1.503 545 H ASP 75 HN ASP 75 64.489 1.567 -7.050 546 HA ASP 75 HA ASP 75 63.470 -0.832 -5.929 547 HB2 ASP 75 HB2 ASP 75 65.087 -0.092 -8.363 548 HB3 ASP 75 HB1 ASP 75 64.688 -1.781 -8.053 549 H GLU 76 HN GLU 76 66.861 0.125 -6.519 550 HA GLU 76 HA GLU 76 68.087 -2.302 -5.599 551 HB2 GLU 76 HB2 GLU 76 68.782 0.321 -6.533 552 HB3 GLU 76 HB1 GLU 76 69.738 -0.030 -5.092 553 HG2 GLU 76 HG2 GLU 76 70.808 -1.838 -6.074 554 HG3 GLU 76 HG1 GLU 76 69.474 -2.162 -7.180 555 H PHE 77 HN PHE 77 67.485 0.802 -3.899 556 HA PHE 77 HA PHE 77 68.553 0.055 -1.356 557 HB2 PHE 77 HB2 PHE 77 68.081 2.347 -1.930 558 HB3 PHE 77 HB1 PHE 77 66.396 1.974 -2.279 559 HD1 PHE 77 HD1 PHE 77 68.886 1.820 0.527 560 HD2 PHE 77 HD2 PHE 77 64.778 2.305 -0.636 561 HE1 PHE 77 HE1 PHE 77 68.270 2.307 2.880 562 HE2 PHE 77 HE2 PHE 77 64.167 2.792 1.717 563 HZ PHE 77 HZ PHE 77 65.911 2.792 3.471 564 H LEU 78 HN LEU 78 65.274 -0.338 -2.718 565 HA LEU 78 HA LEU 78 63.933 -1.262 -0.376 566 HB2 LEU 78 HB2 LEU 78 63.508 -1.038 -3.223 567 HB3 LEU 78 HB1 LEU 78 62.913 -2.601 -2.674 568 HG LEU 78 HG LEU 78 61.110 -0.988 -2.504 569 HD11 LEU 78 HD11 LEU 78 60.423 -1.537 -0.373 570 HD12 LEU 78 HD12 LEU 78 61.984 -1.147 0.348 571 HD13 LEU 78 HD13 LEU 78 61.773 -2.658 -0.534 572 HD21 LEU 78 HD21 LEU 78 62.904 0.628 -0.673 573 HD22 LEU 78 HD22 LEU 78 61.296 1.065 -1.253 574 HD23 LEU 78 HD23 LEU 78 62.653 1.009 -2.375 575 H VAL 79 HN VAL 79 65.445 -3.181 -3.007 576 HA VAL 79 HA VAL 79 65.094 -5.747 -1.720 577 HB VAL 79 HB VAL 79 67.050 -4.767 -3.843 578 HG11 VAL 79 HG11 VAL 79 66.637 -7.368 -4.439 579 HG12 VAL 79 HG12 VAL 79 66.458 -7.451 -2.687 580 HG13 VAL 79 HG13 VAL 79 67.953 -6.840 -3.391 581 HG21 VAL 79 HG21 VAL 79 64.387 -4.673 -4.067 582 HG22 VAL 79 HG22 VAL 79 64.605 -6.382 -4.438 583 HG23 VAL 79 HG23 VAL 79 65.406 -5.158 -5.423 584 H MET 80 HN MET 80 67.736 -3.378 -1.804 585 HA MET 80 HA MET 80 69.741 -4.889 -0.443 586 HB2 MET 80 HB2 MET 80 70.100 -2.813 -1.713 587 HB3 MET 80 HB1 MET 80 69.128 -1.915 -0.551 588 HG2 MET 80 HG2 MET 80 70.747 -2.449 1.226 589 HG3 MET 80 HG1 MET 80 71.720 -3.359 0.068 590 HE1 MET 80 HE1 MET 80 70.300 -0.313 1.357 591 HE2 MET 80 HE2 MET 80 71.187 1.061 0.708 592 HE3 MET 80 HE3 MET 80 71.972 -0.017 1.861 593 H MET 81 HN MET 81 67.094 -2.824 0.790 594 HA MET 81 HA MET 81 67.836 -2.803 3.559 595 HB2 MET 81 HB2 MET 81 65.345 -2.419 1.934 596 HB3 MET 81 HB1 MET 81 65.187 -2.556 3.684 597 HG2 MET 81 HG2 MET 81 67.363 -0.770 2.826 598 HG3 MET 81 HG1 MET 81 65.758 -0.224 2.342 599 HE1 MET 81 HE1 MET 81 67.527 1.325 5.586 600 HE2 MET 81 HE2 MET 81 68.173 0.496 4.173 601 HE3 MET 81 HE3 MET 81 68.158 -0.322 5.732 602 H VAL 82 HN VAL 82 65.650 -5.006 1.761 603 HA VAL 82 HA VAL 82 64.879 -6.659 3.955 604 HB VAL 82 HB VAL 82 65.238 -7.282 1.002 605 HG11 VAL 82 HG11 VAL 82 63.515 -8.677 3.065 606 HG12 VAL 82 HG12 VAL 82 65.059 -9.297 2.477 607 HG13 VAL 82 HG13 VAL 82 63.702 -9.122 1.367 608 HG21 VAL 82 HG21 VAL 82 62.752 -6.480 2.538 609 HG22 VAL 82 HG22 VAL 82 62.899 -6.698 0.796 610 HG23 VAL 82 HG23 VAL 82 63.723 -5.355 1.587 611 H ARG 83 HN ARG 83 67.641 -6.930 1.713 612 HA ARG 83 HA ARG 83 68.662 -9.435 2.660 613 HB2 ARG 83 HB2 ARG 83 69.467 -7.162 0.985 614 HB3 ARG 83 HB1 ARG 83 70.833 -7.922 1.802 615 HG2 ARG 83 HG2 ARG 83 70.114 -10.126 0.954 616 HG3 ARG 83 HG1 ARG 83 68.763 -9.357 0.118 617 HD2 ARG 83 HD2 ARG 83 70.259 -9.290 -1.636 618 HD3 ARG 83 HD1 ARG 83 70.845 -7.837 -0.798 619 HE ARG 83 HE ARG 83 72.480 -9.341 0.392 620 HH11 ARG 83 HH11 ARG 83 70.732 -11.585 -1.166 621 HH12 ARG 83 HH12 ARG 83 72.005 -12.236 -2.140 622 HH21 ARG 83 HH21 ARG 83 74.222 -9.677 -1.417 623 HH22 ARG 83 HH22 ARG 83 73.987 -11.163 -2.269 624 H SER 84 HN SER 84 69.127 -6.101 3.791 625 HA SER 84 HA SER 84 71.224 -6.810 5.724 626 HB2 SER 84 HB2 SER 84 70.049 -4.480 4.511 627 HB3 SER 84 HB1 SER 84 70.022 -4.281 6.262 628 HG SER 84 HG SER 84 72.210 -4.717 4.531 629 H MET 85 HN MET 85 67.709 -6.349 5.779 630 HA MET 85 HA MET 85 67.483 -6.218 8.681 631 HB2 MET 85 HB2 MET 85 65.780 -6.200 6.284 632 HB3 MET 85 HB1 MET 85 65.036 -7.024 7.651 633 HG2 MET 85 HG2 MET 85 64.594 -5.051 8.633 634 HG3 MET 85 HG1 MET 85 66.307 -4.633 8.610 635 HE1 MET 85 HE1 MET 85 63.032 -3.215 7.715 636 HE2 MET 85 HE2 MET 85 62.977 -4.738 6.831 637 HE3 MET 85 HE3 MET 85 62.939 -3.213 5.951 638 H LYS 86 HN LYS 86 66.715 -8.783 6.285 639 HA LYS 86 HA LYS 86 66.756 -11.133 6.491 640 HB2 LYS 86 HB2 LYS 86 68.867 -10.394 7.849 641 HB3 LYS 86 HB1 LYS 86 67.885 -10.804 9.257 642 HG2 LYS 86 HG2 LYS 86 67.472 -12.960 7.569 643 HG3 LYS 86 HG1 LYS 86 69.175 -12.580 7.315 644 HD2 LYS 86 HD2 LYS 86 69.368 -13.953 9.159 645 HD3 LYS 86 HD1 LYS 86 69.152 -12.405 9.980 646 HE2 LYS 86 HE2 LYS 86 67.056 -12.956 10.733 647 HE3 LYS 86 HE1 LYS 86 66.640 -13.818 9.238 648 HZ1 LYS 86 HZ1 LYS 86 68.330 -14.771 11.482 649 HZ2 LYS 86 HZ2 LYS 86 68.358 -15.510 9.953 650 HZ3 LYS 86 HZ3 LYS 86 66.923 -15.481 10.862 651 H ASP 87 HN ASP 87 64.910 -9.111 8.486 652 HA ASP 87 HA ASP 87 63.614 -11.352 9.956 653 HB2 ASP 87 HB2 ASP 87 62.752 -9.646 11.344 654 HB3 ASP 87 HB1 ASP 87 64.339 -9.029 10.892 655 H ASP 88 HN ASP 88 61.024 -10.794 10.067 656 HA ASP 88 HA ASP 88 60.077 -11.172 7.300 657 HB2 ASP 88 HB2 ASP 88 59.440 -12.387 9.537 658 HB3 ASP 88 HB1 ASP 88 58.362 -11.010 9.765 659 H SER 89 HN SER 89 60.804 -8.780 6.891 660 HA SER 89 HA SER 89 58.604 -6.883 7.652 661 HB2 SER 89 HB2 SER 89 61.530 -6.767 7.530 662 HB3 SER 89 HB1 SER 89 60.766 -5.421 6.690 663 HG SER 89 HG SER 89 60.703 -6.150 9.391 Start of MODEL 4 1 H1 MET 1 HT1 MET 1 66.099 -13.907 -10.482 2 H2 MET 1 HT2 MET 1 65.243 -12.608 -9.797 3 H3 MET 1 HT3 MET 1 64.763 -14.205 -9.483 4 HA MET 1 HA MET 1 66.615 -14.633 -8.115 5 HB2 MET 1 HB2 MET 1 68.535 -13.101 -8.116 6 HB3 MET 1 HB1 MET 1 68.166 -13.590 -9.768 7 HG2 MET 1 HG2 MET 1 66.912 -11.479 -10.109 8 HG3 MET 1 HG1 MET 1 67.303 -10.987 -8.463 9 HE1 MET 1 HE1 MET 1 68.466 -8.931 -11.021 10 HE2 MET 1 HE2 MET 1 67.652 -10.372 -11.623 11 HE3 MET 1 HE3 MET 1 69.307 -10.030 -12.118 12 H ASP 2 HN ASP 2 66.853 -13.814 -5.922 13 HA ASP 2 HA ASP 2 66.023 -12.755 -3.992 14 HB2 ASP 2 HB2 ASP 2 66.112 -10.522 -6.042 15 HB3 ASP 2 HB1 ASP 2 65.840 -10.247 -4.322 16 H ASP 3 HN ASP 3 64.023 -14.119 -5.652 17 HA ASP 3 HA ASP 3 61.669 -12.577 -6.115 18 HB2 ASP 3 HB2 ASP 3 62.476 -15.404 -5.801 19 HB3 ASP 3 HB1 ASP 3 60.779 -15.089 -5.434 20 H ILE 4 HN ILE 4 62.654 -14.439 -3.213 21 HA ILE 4 HA ILE 4 60.319 -13.599 -1.673 22 HB ILE 4 HB ILE 4 61.603 -14.660 0.203 23 HG12 ILE 4 HG12 ILE 4 63.709 -15.845 -1.330 24 HG13 ILE 4 HG11 ILE 4 63.814 -14.098 -1.528 25 HG21 ILE 4 HG21 ILE 4 61.753 -16.935 -0.871 26 HG22 ILE 4 HG22 ILE 4 61.464 -16.159 -2.428 27 HG23 ILE 4 HG23 ILE 4 60.230 -16.099 -1.168 28 HD11 ILE 4 HD11 ILE 4 65.078 -14.555 0.426 29 HD12 ILE 4 HD12 ILE 4 63.873 -15.690 1.035 30 HD13 ILE 4 HD13 ILE 4 63.532 -13.959 1.026 31 H TYR 5 HN TYR 5 63.595 -12.323 -2.116 32 HA TYR 5 HA TYR 5 63.590 -10.528 0.155 33 HB2 TYR 5 HB2 TYR 5 65.116 -10.915 -2.397 34 HB3 TYR 5 HB1 TYR 5 65.353 -9.414 -1.506 35 HD1 TYR 5 HD2 TYR 5 65.759 -9.685 1.088 36 HD2 TYR 5 HD1 TYR 5 66.352 -12.813 -1.799 37 HE1 TYR 5 HE2 TYR 5 67.249 -10.869 2.674 38 HE2 TYR 5 HE1 TYR 5 67.847 -13.997 -0.206 39 HH TYR 5 HH TYR 5 67.929 -13.676 2.818 40 H LYS 6 HN LYS 6 62.753 -10.089 -3.291 41 HA LYS 6 HA LYS 6 62.030 -7.283 -3.014 42 HB2 LYS 6 HB2 LYS 6 61.585 -9.460 -5.067 43 HB3 LYS 6 HB1 LYS 6 60.990 -7.818 -5.306 44 HG2 LYS 6 HG2 LYS 6 63.431 -7.087 -4.763 45 HG3 LYS 6 HG1 LYS 6 63.847 -8.771 -5.091 46 HD2 LYS 6 HD2 LYS 6 62.166 -7.234 -7.055 47 HD3 LYS 6 HD1 LYS 6 63.918 -7.037 -7.054 48 HE2 LYS 6 HE2 LYS 6 62.804 -9.831 -7.039 49 HE3 LYS 6 HE1 LYS 6 62.808 -8.916 -8.559 50 HZ1 LYS 6 HZ1 LYS 6 65.214 -8.842 -6.874 51 HZ2 LYS 6 HZ2 LYS 6 65.072 -8.721 -8.562 52 HZ3 LYS 6 HZ3 LYS 6 64.929 -10.234 -7.800 53 H ALA 7 HN ALA 7 60.251 -10.370 -2.817 54 HA ALA 7 HA ALA 7 57.568 -9.464 -2.913 55 HB1 ALA 7 HB1 ALA 7 58.668 -11.548 -0.999 56 HB2 ALA 7 HB2 ALA 7 58.524 -11.837 -2.732 57 HB3 ALA 7 HB3 ALA 7 57.080 -11.524 -1.766 58 H ALA 8 HN ALA 8 59.891 -9.431 -0.210 59 HA ALA 8 HA ALA 8 58.111 -8.595 1.870 60 HB1 ALA 8 HB1 ALA 8 60.212 -9.358 2.579 61 HB2 ALA 8 HB2 ALA 8 60.431 -7.615 2.708 62 HB3 ALA 8 HB3 ALA 8 61.067 -8.480 1.309 63 H VAL 9 HN VAL 9 60.136 -6.687 -0.394 64 HA VAL 9 HA VAL 9 59.576 -4.089 0.615 65 HB VAL 9 HB VAL 9 60.097 -5.084 -2.213 66 HG11 VAL 9 HG11 VAL 9 60.649 -2.864 -2.825 67 HG12 VAL 9 HG12 VAL 9 60.681 -2.316 -1.151 68 HG13 VAL 9 HG13 VAL 9 59.142 -2.700 -1.923 69 HG21 VAL 9 HG21 VAL 9 61.734 -4.758 0.195 70 HG22 VAL 9 HG22 VAL 9 62.380 -3.848 -1.167 71 HG23 VAL 9 HG23 VAL 9 62.121 -5.588 -1.311 72 H GLU 10 HN GLU 10 57.851 -5.933 -1.937 73 HA GLU 10 HA GLU 10 55.807 -3.920 -2.344 74 HB2 GLU 10 HB2 GLU 10 56.001 -6.890 -2.938 75 HB3 GLU 10 HB1 GLU 10 54.711 -5.855 -3.552 76 HG2 GLU 10 HG2 GLU 10 57.672 -5.385 -4.041 77 HG3 GLU 10 HG1 GLU 10 56.585 -6.160 -5.189 78 H GLN 11 HN GLN 11 55.956 -6.878 -0.301 79 HA GLN 11 HA GLN 11 53.194 -6.388 0.687 80 HB2 GLN 11 HB2 GLN 11 55.262 -8.570 0.937 81 HB3 GLN 11 HB1 GLN 11 53.867 -8.539 2.014 82 HG2 GLN 11 HG2 GLN 11 53.354 -8.190 -0.907 83 HG3 GLN 11 HG1 GLN 11 53.783 -9.806 -0.345 84 HE21 GLN 11 HE21 GLN 11 52.252 -10.938 1.018 85 HE22 GLN 11 HE22 GLN 11 50.689 -10.339 1.306 86 H LEU 12 HN LEU 12 55.666 -4.624 1.406 87 HA LEU 12 HA LEU 12 56.078 -5.075 4.264 88 HB2 LEU 12 HB2 LEU 12 57.057 -3.360 2.104 89 HB3 LEU 12 HB1 LEU 12 56.845 -2.467 3.612 90 HG LEU 12 HG LEU 12 58.284 -5.128 3.492 91 HD11 LEU 12 HD11 LEU 12 60.279 -4.109 3.003 92 HD12 LEU 12 HD12 LEU 12 59.821 -2.596 3.780 93 HD13 LEU 12 HD13 LEU 12 59.226 -2.972 2.163 94 HD21 LEU 12 HD21 LEU 12 59.215 -4.328 5.647 95 HD22 LEU 12 HD22 LEU 12 57.455 -4.399 5.703 96 HD23 LEU 12 HD23 LEU 12 58.269 -2.847 5.501 97 H THR 13 HN THR 13 55.570 -3.230 5.828 98 HA THR 13 HA THR 13 52.726 -2.635 5.791 99 HB THR 13 HB THR 13 53.561 -1.193 7.828 100 HG1 THR 13 HG1 THR 13 55.619 -1.610 8.443 101 HG21 THR 13 HG21 THR 13 53.358 -3.077 9.181 102 HG22 THR 13 HG22 THR 13 54.247 -4.104 8.059 103 HG23 THR 13 HG23 THR 13 52.585 -3.634 7.696 104 H GLU 14 HN GLU 14 51.744 -0.578 5.623 105 HA GLU 14 HA GLU 14 52.642 1.158 3.570 106 HB2 GLU 14 HB2 GLU 14 50.703 1.408 5.885 107 HB3 GLU 14 HB1 GLU 14 50.859 2.666 4.660 108 HG2 GLU 14 HG2 GLU 14 50.202 -0.244 4.106 109 HG3 GLU 14 HG1 GLU 14 49.036 1.079 4.110 110 H GLU 15 HN GLU 15 53.062 1.332 7.092 111 HA GLU 15 HA GLU 15 54.108 3.956 7.361 112 HB2 GLU 15 HB2 GLU 15 54.698 1.347 8.811 113 HB3 GLU 15 HB1 GLU 15 55.227 2.927 9.391 114 HG2 GLU 15 HG2 GLU 15 53.230 3.058 10.448 115 HG3 GLU 15 HG1 GLU 15 52.522 3.322 8.854 116 H GLN 16 HN GLN 16 55.808 0.897 6.601 117 HA GLN 16 HA GLN 16 58.471 1.987 6.503 118 HB2 GLN 16 HB2 GLN 16 57.087 -0.392 5.229 119 HB3 GLN 16 HB1 GLN 16 58.822 -0.116 5.091 120 HG2 GLN 16 HG2 GLN 16 57.692 0.044 7.828 121 HG3 GLN 16 HG1 GLN 16 57.719 -1.555 7.088 122 HE21 GLN 16 HE21 GLN 16 59.785 1.115 8.182 123 HE22 GLN 16 HE22 GLN 16 61.241 0.248 8.111 124 H LYS 17 HN LYS 17 56.097 1.321 3.931 125 HA LYS 17 HA LYS 17 57.618 2.266 1.714 126 HB2 LYS 17 HB2 LYS 17 54.672 2.046 2.366 127 HB3 LYS 17 HB1 LYS 17 55.224 2.607 0.786 128 HG2 LYS 17 HG2 LYS 17 56.004 0.546 0.166 129 HG3 LYS 17 HG1 LYS 17 56.489 0.114 1.807 130 HD2 LYS 17 HD2 LYS 17 54.311 -0.551 2.411 131 HD3 LYS 17 HD1 LYS 17 53.568 0.367 1.102 132 HE2 LYS 17 HE2 LYS 17 54.401 -1.190 -0.561 133 HE3 LYS 17 HE1 LYS 17 55.360 -2.050 0.664 134 HZ1 LYS 17 HZ1 LYS 17 52.398 -1.743 0.672 135 HZ2 LYS 17 HZ2 LYS 17 53.307 -2.531 1.873 136 HZ3 LYS 17 HZ3 LYS 17 53.243 -3.168 0.299 137 H ASN 18 HN ASN 18 55.692 4.048 4.104 138 HA ASN 18 HA ASN 18 55.823 6.564 2.582 139 HB2 ASN 18 HB2 ASN 18 53.997 6.923 3.864 140 HB3 ASN 18 HB1 ASN 18 54.281 5.388 4.678 141 HD21 ASN 18 HD21 ASN 18 55.094 8.879 4.846 142 HD22 ASN 18 HD22 ASN 18 55.418 8.875 6.509 143 H GLU 19 HN GLU 19 57.320 5.269 5.608 144 HA GLU 19 HA GLU 19 58.878 7.637 6.149 145 HB2 GLU 19 HB2 GLU 19 60.020 6.209 7.748 146 HB3 GLU 19 HB1 GLU 19 58.311 5.791 7.755 147 HG2 GLU 19 HG2 GLU 19 58.713 3.825 6.412 148 HG3 GLU 19 HG1 GLU 19 60.376 4.303 6.114 149 H PHE 20 HN PHE 20 59.528 4.745 4.174 150 HA PHE 20 HA PHE 20 62.332 5.145 3.747 151 HB2 PHE 20 HB2 PHE 20 60.051 3.786 2.338 152 HB3 PHE 20 HB1 PHE 20 61.594 3.923 1.501 153 HD1 PHE 20 HD1 PHE 20 61.497 3.717 5.164 154 HD2 PHE 20 HD2 PHE 20 61.931 1.481 1.528 155 HE1 PHE 20 HE1 PHE 20 62.359 1.794 6.456 156 HE2 PHE 20 HE2 PHE 20 62.801 -0.448 2.821 157 HZ PHE 20 HZ PHE 20 63.012 -0.291 5.285 158 H LYS 21 HN LYS 21 59.490 6.332 1.933 159 HA LYS 21 HA LYS 21 60.884 7.650 -0.179 160 HB2 LYS 21 HB2 LYS 21 58.354 7.089 0.334 161 HB3 LYS 21 HB1 LYS 21 58.344 8.712 1.027 162 HG2 LYS 21 HG2 LYS 21 59.531 8.283 -1.697 163 HG3 LYS 21 HG1 LYS 21 57.779 8.370 -1.522 164 HD2 LYS 21 HD2 LYS 21 58.376 10.511 -0.067 165 HD3 LYS 21 HD1 LYS 21 59.844 10.478 -1.042 166 HE2 LYS 21 HE2 LYS 21 58.277 10.266 -3.081 167 HE3 LYS 21 HE1 LYS 21 56.986 10.781 -1.977 168 HZ1 LYS 21 HZ1 LYS 21 59.573 12.220 -2.130 169 HZ2 LYS 21 HZ2 LYS 21 58.097 12.759 -1.482 170 HZ3 LYS 21 HZ3 LYS 21 58.279 12.610 -3.162 171 H ALA 22 HN ALA 22 59.795 8.904 3.005 172 HA ALA 22 HA ALA 22 60.657 11.609 2.645 173 HB1 ALA 22 HB1 ALA 22 59.134 10.696 4.416 174 HB2 ALA 22 HB2 ALA 22 60.418 11.710 5.072 175 HB3 ALA 22 HB3 ALA 22 60.535 9.954 5.189 176 H ALA 23 HN ALA 23 62.396 8.768 4.005 177 HA ALA 23 HA ALA 23 64.783 10.208 4.737 178 HB1 ALA 23 HB1 ALA 23 65.598 7.643 4.300 179 HB2 ALA 23 HB2 ALA 23 63.857 7.409 4.442 180 HB3 ALA 23 HB3 ALA 23 64.755 8.163 5.760 181 H PHE 24 HN PHE 24 63.995 8.238 1.837 182 HA PHE 24 HA PHE 24 66.462 8.504 0.467 183 HB2 PHE 24 HB2 PHE 24 64.311 7.107 0.019 184 HB3 PHE 24 HB1 PHE 24 63.777 8.520 -0.894 185 HD1 PHE 24 HD2 PHE 24 66.852 6.403 -0.488 186 HD2 PHE 24 HD1 PHE 24 64.310 8.612 -3.151 187 HE1 PHE 24 HE2 PHE 24 68.258 5.710 -2.411 188 HE2 PHE 24 HE1 PHE 24 65.713 7.921 -5.073 189 HZ PHE 24 HZ PHE 24 67.693 6.472 -4.703 190 H ASP 25 HN ASP 25 63.643 10.694 0.503 191 HA ASP 25 HA ASP 25 64.440 12.458 -1.573 192 HB2 ASP 25 HB2 ASP 25 62.510 12.280 0.565 193 HB3 ASP 25 HB1 ASP 25 63.118 13.930 0.449 194 H ILE 26 HN ILE 26 65.500 12.306 1.808 195 HA ILE 26 HA ILE 26 66.643 14.839 2.218 196 HB ILE 26 HB ILE 26 67.495 12.044 3.015 197 HG12 ILE 26 HG12 ILE 26 66.265 14.252 4.679 198 HG13 ILE 26 HG11 ILE 26 65.280 13.109 3.759 199 HG21 ILE 26 HG21 ILE 26 68.707 14.714 3.697 200 HG22 ILE 26 HG22 ILE 26 69.511 13.180 3.365 201 HG23 ILE 26 HG23 ILE 26 68.691 13.430 4.905 202 HD11 ILE 26 HD11 ILE 26 66.524 11.242 4.940 203 HD12 ILE 26 HD12 ILE 26 65.488 12.218 5.984 204 HD13 ILE 26 HD13 ILE 26 67.227 12.474 5.991 205 H PHE 27 HN PHE 27 68.068 12.071 0.469 206 HA PHE 27 HA PHE 27 70.393 13.778 -0.284 207 HB2 PHE 27 HB2 PHE 27 70.527 11.119 -1.382 208 HB3 PHE 27 HB1 PHE 27 71.562 11.865 -0.173 209 HD1 PHE 27 HD1 PHE 27 70.733 11.866 2.277 210 HD2 PHE 27 HD2 PHE 27 69.044 9.380 -0.791 211 HE1 PHE 27 HE1 PHE 27 69.795 10.364 4.013 212 HE2 PHE 27 HE2 PHE 27 68.110 7.878 0.947 213 HZ PHE 27 HZ PHE 27 68.481 8.373 3.349 214 H VAL 28 HN VAL 28 67.460 12.439 -1.669 215 HA VAL 28 HA VAL 28 68.219 12.590 -4.453 216 HB VAL 28 HB VAL 28 65.561 12.767 -2.989 217 HG11 VAL 28 HG11 VAL 28 64.525 13.175 -4.949 218 HG12 VAL 28 HG12 VAL 28 65.373 11.836 -5.720 219 HG13 VAL 28 HG13 VAL 28 66.108 13.438 -5.684 220 HG21 VAL 28 HG21 VAL 28 66.165 10.428 -4.661 221 HG22 VAL 28 HG22 VAL 28 65.569 10.500 -3.005 222 HG23 VAL 28 HG23 VAL 28 67.297 10.632 -3.322 223 H GLN 29 HN GLN 29 67.192 14.988 -2.086 224 HA GLN 29 HA GLN 29 66.289 17.108 -3.736 225 HB2 GLN 29 HB2 GLN 29 67.783 16.914 -1.115 226 HB3 GLN 29 HB1 GLN 29 67.345 18.483 -1.790 227 HG2 GLN 29 HG2 GLN 29 65.002 17.938 -1.759 228 HG3 GLN 29 HG1 GLN 29 65.344 16.253 -1.369 229 HE21 GLN 29 HE21 GLN 29 64.798 19.393 -0.001 230 HE22 GLN 29 HE22 GLN 29 65.102 18.969 1.611 231 H GLY 30 HN GLY 30 69.609 16.114 -2.923 232 HA2 GLY 30 HA2 GLY 30 70.748 18.334 -4.519 233 HA3 GLY 30 HA1 GLY 30 71.664 17.167 -3.564 234 H ALA 31 HN ALA 31 70.016 14.914 -4.865 235 HA ALA 31 HA ALA 31 71.812 14.564 -7.183 236 HB1 ALA 31 HB1 ALA 31 69.587 12.736 -6.269 237 HB2 ALA 31 HB2 ALA 31 71.099 12.860 -5.368 238 HB3 ALA 31 HB3 ALA 31 71.114 12.302 -7.039 239 H GLU 32 HN GLU 32 71.185 15.509 -9.113 240 HA GLU 32 HA GLU 32 68.567 16.413 -9.775 241 HB2 GLU 32 HB2 GLU 32 70.873 16.935 -10.806 242 HB3 GLU 32 HB1 GLU 32 70.642 15.476 -11.769 243 HG2 GLU 32 HG2 GLU 32 69.301 16.597 -13.195 244 HG3 GLU 32 HG1 GLU 32 68.231 17.048 -11.869 245 H ASP 33 HN ASP 33 70.220 13.413 -10.818 246 HA ASP 33 HA ASP 33 67.869 12.352 -12.177 247 HB2 ASP 33 HB2 ASP 33 70.641 11.439 -11.440 248 HB3 ASP 33 HB1 ASP 33 69.474 10.253 -12.027 249 H GLY 34 HN GLY 34 69.165 12.166 -8.908 250 HA2 GLY 34 HA2 GLY 34 67.881 11.469 -6.993 251 HA3 GLY 34 HA1 GLY 34 66.779 10.615 -8.072 252 H SER 35 HN SER 35 70.311 10.371 -8.079 253 HA SER 35 HA SER 35 70.062 7.517 -7.197 254 HB2 SER 35 HB2 SER 35 71.944 7.140 -8.843 255 HB3 SER 35 HB1 SER 35 70.425 7.623 -9.587 256 HG SER 35 HG SER 35 72.746 9.174 -9.091 257 H ILE 36 HN ILE 36 71.678 6.806 -5.790 258 HA ILE 36 HA ILE 36 73.621 8.890 -4.840 259 HB ILE 36 HB ILE 36 72.253 6.604 -3.375 260 HG12 ILE 36 HG12 ILE 36 71.809 9.484 -2.712 261 HG13 ILE 36 HG11 ILE 36 71.010 8.853 -4.149 262 HG21 ILE 36 HG21 ILE 36 74.240 8.717 -2.547 263 HG22 ILE 36 HG22 ILE 36 74.316 6.975 -2.280 264 HG23 ILE 36 HG23 ILE 36 73.168 7.958 -1.369 265 HD11 ILE 36 HD11 ILE 36 70.675 8.007 -1.283 266 HD12 ILE 36 HD12 ILE 36 70.283 6.890 -2.589 267 HD13 ILE 36 HD13 ILE 36 69.438 8.434 -2.461 268 H SER 37 HN SER 37 75.779 8.177 -4.506 269 HA SER 37 HA SER 37 76.494 5.643 -5.872 270 HB2 SER 37 HB2 SER 37 77.545 8.144 -5.908 271 HB3 SER 37 HB1 SER 37 78.542 7.422 -4.647 272 HG SER 37 HG SER 37 78.488 6.957 -7.351 273 H THR 38 HN THR 38 78.392 4.410 -4.753 274 HA THR 38 HA THR 38 77.475 3.281 -2.287 275 HB THR 38 HB THR 38 79.736 2.176 -2.352 276 HG1 THR 38 HG1 THR 38 81.148 2.781 -3.954 277 HG21 THR 38 HG21 THR 38 79.220 0.883 -4.244 278 HG22 THR 38 HG22 THR 38 78.620 2.274 -5.147 279 HG23 THR 38 HG23 THR 38 77.662 1.597 -3.831 280 H LYS 39 HN LYS 39 79.931 5.755 -2.957 281 HA LYS 39 HA LYS 39 81.030 6.017 -0.331 282 HB2 LYS 39 HB2 LYS 39 80.631 7.905 -2.670 283 HB3 LYS 39 HB1 LYS 39 81.554 8.357 -1.239 284 HG2 LYS 39 HG2 LYS 39 83.343 7.113 -1.870 285 HG3 LYS 39 HG1 LYS 39 82.333 5.740 -2.320 286 HD2 LYS 39 HD2 LYS 39 83.376 6.494 -4.340 287 HD3 LYS 39 HD1 LYS 39 81.700 7.040 -4.420 288 HE2 LYS 39 HE2 LYS 39 83.392 9.001 -3.072 289 HE3 LYS 39 HE1 LYS 39 83.966 8.656 -4.715 290 HZ1 LYS 39 HZ1 LYS 39 82.228 10.347 -4.758 291 HZ2 LYS 39 HZ2 LYS 39 81.156 9.302 -3.955 292 HZ3 LYS 39 HZ3 LYS 39 81.692 8.934 -5.526 293 H GLU 40 HN GLU 40 78.088 7.379 -1.797 294 HA GLU 40 HA GLU 40 77.563 9.091 0.563 295 HB2 GLU 40 HB2 GLU 40 76.153 8.550 -2.066 296 HB3 GLU 40 HB1 GLU 40 75.562 9.696 -0.864 297 HG2 GLU 40 HG2 GLU 40 76.886 11.240 -1.846 298 HG3 GLU 40 HG1 GLU 40 78.258 10.363 -1.173 299 H LEU 41 HN LEU 41 76.654 5.931 -0.629 300 HA LEU 41 HA LEU 41 74.094 5.634 0.588 301 HB2 LEU 41 HB2 LEU 41 75.782 4.158 -0.986 302 HB3 LEU 41 HB1 LEU 41 75.845 3.268 0.534 303 HG LEU 41 HG LEU 41 74.026 2.402 -0.856 304 HD11 LEU 41 HD11 LEU 41 73.811 2.975 1.754 305 HD12 LEU 41 HD12 LEU 41 72.483 2.265 0.840 306 HD13 LEU 41 HD13 LEU 41 72.511 4.002 1.152 307 HD21 LEU 41 HD21 LEU 41 72.271 3.762 -1.705 308 HD22 LEU 41 HD22 LEU 41 73.746 4.661 -2.053 309 HD23 LEU 41 HD23 LEU 41 72.731 5.130 -0.690 310 H GLY 42 HN GLY 42 77.348 5.330 1.978 311 HA2 GLY 42 HA2 GLY 42 76.746 3.899 4.336 312 HA3 GLY 42 HA1 GLY 42 78.022 5.107 4.225 313 H LYS 43 HN LYS 43 76.519 7.430 3.778 314 HA LYS 43 HA LYS 43 75.603 8.064 6.441 315 HB2 LYS 43 HB2 LYS 43 76.595 9.656 4.794 316 HB3 LYS 43 HB1 LYS 43 75.153 9.494 3.792 317 HG2 LYS 43 HG2 LYS 43 74.539 10.133 6.592 318 HG3 LYS 43 HG1 LYS 43 75.509 11.371 5.803 319 HD2 LYS 43 HD2 LYS 43 73.714 10.873 3.835 320 HD3 LYS 43 HD1 LYS 43 72.718 10.516 5.246 321 HE2 LYS 43 HE2 LYS 43 73.258 12.745 6.196 322 HE3 LYS 43 HE1 LYS 43 74.256 13.102 4.774 323 HZ1 LYS 43 HZ1 LYS 43 72.395 12.911 3.352 324 HZ2 LYS 43 HZ2 LYS 43 71.880 13.885 4.644 325 HZ3 LYS 43 HZ3 LYS 43 71.418 12.250 4.569 326 H VAL 44 HN VAL 44 73.901 7.292 3.393 327 HA VAL 44 HA VAL 44 71.225 7.822 4.152 328 HB VAL 44 HB VAL 44 72.528 5.745 2.365 329 HG11 VAL 44 HG11 VAL 44 70.121 5.706 1.335 330 HG12 VAL 44 HG12 VAL 44 69.611 6.274 2.924 331 HG13 VAL 44 HG13 VAL 44 70.445 4.725 2.767 332 HG21 VAL 44 HG21 VAL 44 72.832 7.678 1.196 333 HG22 VAL 44 HG22 VAL 44 71.595 8.540 2.112 334 HG23 VAL 44 HG23 VAL 44 71.129 7.482 0.783 335 H MET 45 HN MET 45 73.064 4.759 4.478 336 HA MET 45 HA MET 45 70.979 3.314 5.834 337 HB2 MET 45 HB2 MET 45 73.997 2.971 5.911 338 HB3 MET 45 HB1 MET 45 72.803 1.741 6.334 339 HG2 MET 45 HG2 MET 45 72.160 2.771 3.740 340 HG3 MET 45 HG1 MET 45 73.863 2.317 3.757 341 HE1 MET 45 HE1 MET 45 70.180 0.720 3.401 342 HE2 MET 45 HE2 MET 45 70.513 1.645 4.863 343 HE3 MET 45 HE3 MET 45 70.259 -0.097 4.965 344 H ARG 46 HN ARG 46 73.955 4.847 7.169 345 HA ARG 46 HA ARG 46 73.419 4.338 9.915 346 HB2 ARG 46 HB2 ARG 46 75.409 5.476 8.440 347 HB3 ARG 46 HB1 ARG 46 74.714 6.912 9.187 348 HG2 ARG 46 HG2 ARG 46 75.407 6.328 11.277 349 HG3 ARG 46 HG1 ARG 46 75.117 4.609 11.009 350 HD2 ARG 46 HD2 ARG 46 77.231 5.349 9.251 351 HD3 ARG 46 HD1 ARG 46 77.617 6.037 10.842 352 HE ARG 46 HE ARG 46 77.303 3.762 11.806 353 HH11 ARG 46 HH21 ARG 46 79.535 3.589 9.787 354 HH12 ARG 46 HH22 ARG 46 79.093 2.179 8.887 355 HH21 ARG 46 HH11 ARG 46 75.828 2.157 10.059 356 HH22 ARG 46 HH12 ARG 46 76.987 1.360 9.047 357 H MET 47 HN MET 47 72.434 7.094 7.882 358 HA MET 47 HA MET 47 71.212 8.647 9.980 359 HB2 MET 47 HB2 MET 47 71.978 9.426 7.732 360 HB3 MET 47 HB1 MET 47 70.642 8.544 6.997 361 HG2 MET 47 HG2 MET 47 69.293 9.984 8.864 362 HG3 MET 47 HG1 MET 47 70.621 11.092 8.509 363 HE1 MET 47 HE1 MET 47 67.551 9.355 5.576 364 HE2 MET 47 HE2 MET 47 67.258 9.580 7.300 365 HE3 MET 47 HE3 MET 47 68.501 8.455 6.769 366 H LEU 48 HN LEU 48 69.949 6.084 7.859 367 HA LEU 48 HA LEU 48 67.162 6.451 8.697 368 HB2 LEU 48 HB2 LEU 48 68.771 4.830 6.842 369 HB3 LEU 48 HB1 LEU 48 67.423 3.940 7.550 370 HG LEU 48 HG LEU 48 66.760 6.682 6.678 371 HD11 LEU 48 HD11 LEU 48 67.213 6.516 4.461 372 HD12 LEU 48 HD12 LEU 48 66.778 4.811 4.414 373 HD13 LEU 48 HD13 LEU 48 68.388 5.289 4.939 374 HD21 LEU 48 HD21 LEU 48 65.183 4.854 7.504 375 HD22 LEU 48 HD22 LEU 48 65.493 4.027 5.976 376 HD23 LEU 48 HD23 LEU 48 64.733 5.616 5.978 377 H GLY 49 HN GLY 49 69.928 4.626 9.850 378 HA2 GLY 49 HA2 GLY 49 69.750 3.870 12.239 379 HA3 GLY 49 HA1 GLY 49 68.152 3.257 11.832 380 H GLN 50 HN GLN 50 71.158 2.945 9.923 381 HA GLN 50 HA GLN 50 70.881 -0.042 10.182 382 HB2 GLN 50 HB2 GLN 50 72.154 1.544 7.932 383 HB3 GLN 50 HB1 GLN 50 71.696 -0.153 7.912 384 HG2 GLN 50 HG2 GLN 50 69.647 2.028 8.331 385 HG3 GLN 50 HG1 GLN 50 70.124 1.502 6.714 386 HE21 GLN 50 HE21 GLN 50 67.955 0.862 9.236 387 HE22 GLN 50 HE22 GLN 50 67.485 -0.699 8.761 388 H ASN 51 HN ASN 51 72.988 -1.220 10.102 389 HA ASN 51 HA ASN 51 75.282 0.453 11.081 390 HB2 ASN 51 HB2 ASN 51 74.131 -2.187 11.977 391 HB3 ASN 51 HB1 ASN 51 75.785 -1.732 12.383 392 HD21 ASN 51 HD21 ASN 51 72.491 -1.338 13.311 393 HD22 ASN 51 HD22 ASN 51 72.733 -0.111 14.458 394 HA PRO 52 HA PRO 52 76.438 -2.490 7.498 395 HB2 PRO 52 HB2 PRO 52 76.597 -0.709 5.440 396 HB3 PRO 52 HB1 PRO 52 75.096 -1.570 5.835 397 HG2 PRO 52 HG2 PRO 52 75.920 1.210 6.537 398 HG3 PRO 52 HG1 PRO 52 74.350 0.607 5.984 399 HD2 PRO 52 HD2 PRO 52 74.879 1.150 8.580 400 HD3 PRO 52 HD1 PRO 52 73.741 -0.113 8.069 401 H THR 53 HN THR 53 78.660 -2.721 7.133 402 HA THR 53 HA THR 53 80.520 -0.797 8.285 403 HB THR 53 HB THR 53 81.930 -2.638 6.697 404 HG1 THR 53 HG1 THR 53 80.819 -4.598 7.228 405 HG21 THR 53 HG21 THR 53 82.175 -1.942 9.168 406 HG22 THR 53 HG22 THR 53 82.547 -3.618 8.761 407 HG23 THR 53 HG23 THR 53 81.001 -3.215 9.503 408 HA PRO 54 HA PRO 54 81.144 1.729 4.719 409 HB2 PRO 54 HB2 PRO 54 83.738 2.516 5.150 410 HB3 PRO 54 HB1 PRO 54 82.351 3.163 6.051 411 HG2 PRO 54 HG2 PRO 54 84.289 1.029 6.841 412 HG3 PRO 54 HG1 PRO 54 83.621 2.355 7.808 413 HD2 PRO 54 HD2 PRO 54 82.686 -0.170 8.004 414 HD3 PRO 54 HD1 PRO 54 81.629 1.249 8.196 415 H GLU 55 HN GLU 55 83.943 -0.440 5.394 416 HA GLU 55 HA GLU 55 84.764 -0.500 2.607 417 HB2 GLU 55 HB2 GLU 55 86.405 -2.087 3.380 418 HB3 GLU 55 HB1 GLU 55 86.203 -0.895 4.662 419 HG2 GLU 55 HG2 GLU 55 84.430 -3.282 4.804 420 HG3 GLU 55 HG1 GLU 55 86.144 -3.563 5.107 421 H GLU 56 HN GLU 56 82.529 -2.420 4.533 422 HA GLU 56 HA GLU 56 82.293 -4.504 2.446 423 HB2 GLU 56 HB2 GLU 56 81.294 -3.973 5.213 424 HB3 GLU 56 HB1 GLU 56 80.342 -5.061 4.203 425 HG2 GLU 56 HG2 GLU 56 82.042 -6.642 4.059 426 HG3 GLU 56 HG1 GLU 56 83.311 -5.446 4.328 427 H LEU 57 HN LEU 57 80.921 -1.419 3.103 428 HA LEU 57 HA LEU 57 78.226 -1.748 2.219 429 HB2 LEU 57 HB2 LEU 57 79.387 0.233 3.351 430 HB3 LEU 57 HB1 LEU 57 80.028 0.646 1.765 431 HG LEU 57 HG LEU 57 77.624 0.637 0.922 432 HD11 LEU 57 HD11 LEU 57 76.946 0.846 3.864 433 HD12 LEU 57 HD12 LEU 57 76.818 -0.674 2.974 434 HD13 LEU 57 HD13 LEU 57 75.833 0.708 2.502 435 HD21 LEU 57 HD21 LEU 57 77.137 2.877 2.036 436 HD22 LEU 57 HD22 LEU 57 78.726 2.743 1.284 437 HD23 LEU 57 HD23 LEU 57 78.564 2.598 3.034 438 H GLN 58 HN GLN 58 81.267 -1.343 0.403 439 HA GLN 58 HA GLN 58 80.211 -0.725 -2.159 440 HB2 GLN 58 HB2 GLN 58 82.591 -0.661 -1.492 441 HB3 GLN 58 HB1 GLN 58 82.603 -2.422 -1.360 442 HG2 GLN 58 HG2 GLN 58 83.529 -1.731 -3.525 443 HG3 GLN 58 HG1 GLN 58 82.016 -2.596 -3.757 444 HE21 GLN 58 HE21 GLN 58 80.766 -1.576 -5.347 445 HE22 GLN 58 HE22 GLN 58 80.663 0.104 -5.570 446 H GLU 59 HN GLU 59 81.120 -3.987 -0.912 447 HA GLU 59 HA GLU 59 79.903 -5.406 -3.115 448 HB2 GLU 59 HB2 GLU 59 80.434 -7.362 -1.776 449 HB3 GLU 59 HB1 GLU 59 81.745 -6.203 -1.583 450 HG2 GLU 59 HG2 GLU 59 81.434 -6.271 0.652 451 HG3 GLU 59 HG1 GLU 59 79.814 -5.615 0.425 452 H MET 60 HN MET 60 78.665 -4.178 -0.071 453 HA MET 60 HA MET 60 76.278 -5.767 0.142 454 HB2 MET 60 HB2 MET 60 77.467 -3.287 1.229 455 HB3 MET 60 HB1 MET 60 75.707 -3.358 1.300 456 HG2 MET 60 HG2 MET 60 76.124 -5.795 2.200 457 HG3 MET 60 HG1 MET 60 77.727 -5.172 2.590 458 HE1 MET 60 HE1 MET 60 73.627 -3.955 3.869 459 HE2 MET 60 HE2 MET 60 74.278 -4.190 2.248 460 HE3 MET 60 HE3 MET 60 74.377 -2.601 3.006 461 H ILE 61 HN ILE 61 76.886 -2.554 -1.315 462 HA ILE 61 HA ILE 61 74.183 -2.161 -2.265 463 HB ILE 61 HB ILE 61 76.916 -0.975 -2.714 464 HG12 ILE 61 HG12 ILE 61 74.282 0.263 -1.850 465 HG13 ILE 61 HG11 ILE 61 75.452 -0.436 -0.731 466 HG21 ILE 61 HG21 ILE 61 74.497 -0.615 -4.447 467 HG22 ILE 61 HG22 ILE 61 76.203 -0.646 -4.898 468 HG23 ILE 61 HG23 ILE 61 75.525 0.781 -4.120 469 HD11 ILE 61 HD11 ILE 61 77.132 1.173 -2.027 470 HD12 ILE 61 HD12 ILE 61 76.143 1.775 -0.692 471 HD13 ILE 61 HD13 ILE 61 75.649 2.066 -2.357 472 H ASP 62 HN ASP 62 77.143 -3.511 -3.725 473 HA ASP 62 HA ASP 62 76.228 -3.823 -6.410 474 HB2 ASP 62 HB2 ASP 62 78.314 -4.953 -4.615 475 HB3 ASP 62 HB1 ASP 62 77.936 -5.907 -6.050 476 H GLU 63 HN GLU 63 75.636 -5.764 -3.519 477 HA GLU 63 HA GLU 63 74.601 -8.118 -4.821 478 HB2 GLU 63 HB2 GLU 63 75.391 -7.574 -2.372 479 HB3 GLU 63 HB1 GLU 63 73.709 -7.094 -2.135 480 HG2 GLU 63 HG2 GLU 63 73.364 -9.296 -1.687 481 HG3 GLU 63 HG1 GLU 63 73.414 -9.492 -3.440 482 H VAL 64 HN VAL 64 73.051 -5.126 -3.620 483 HA VAL 64 HA VAL 64 70.375 -6.073 -4.424 484 HB VAL 64 HB VAL 64 69.662 -3.899 -3.508 485 HG11 VAL 64 HG11 VAL 64 71.722 -4.699 -1.528 486 HG12 VAL 64 HG12 VAL 64 70.651 -5.980 -2.097 487 HG13 VAL 64 HG13 VAL 64 69.975 -4.537 -1.341 488 HG21 VAL 64 HG21 VAL 64 71.714 -2.665 -4.382 489 HG22 VAL 64 HG22 VAL 64 72.590 -3.321 -2.998 490 HG23 VAL 64 HG23 VAL 64 71.218 -2.246 -2.742 491 H ASP 65 HN ASP 65 72.993 -4.365 -5.897 492 HA ASP 65 HA ASP 65 71.450 -2.770 -7.767 493 HB2 ASP 65 HB2 ASP 65 74.006 -2.819 -6.882 494 HB3 ASP 65 HB1 ASP 65 74.213 -3.703 -8.394 495 H GLU 66 HN GLU 66 69.950 -4.127 -8.888 496 HA GLU 66 HA GLU 66 70.864 -6.634 -10.132 497 HB2 GLU 66 HB2 GLU 66 68.291 -5.105 -9.832 498 HB3 GLU 66 HB1 GLU 66 68.385 -6.429 -10.995 499 HG2 GLU 66 HG2 GLU 66 69.171 -7.945 -9.206 500 HG3 GLU 66 HG1 GLU 66 69.060 -6.626 -8.042 501 H ASP 67 HN ASP 67 70.095 -3.325 -11.209 502 HA ASP 67 HA ASP 67 70.153 -3.979 -14.036 503 HB2 ASP 67 HB2 ASP 67 70.325 -1.471 -14.244 504 HB3 ASP 67 HB1 ASP 67 68.987 -2.027 -13.248 505 H GLY 68 HN GLY 68 72.656 -3.397 -11.676 506 HA2 GLY 68 HA2 GLY 68 74.978 -3.729 -11.937 507 HA3 GLY 68 HA1 GLY 68 74.708 -4.010 -13.655 508 H SER 69 HN SER 69 74.048 -1.159 -11.557 509 HA SER 69 HA SER 69 75.526 0.476 -13.592 510 HB2 SER 69 HB2 SER 69 74.010 2.208 -13.122 511 HB3 SER 69 HB1 SER 69 73.007 0.769 -13.017 512 HG SER 69 HG SER 69 73.573 2.600 -11.130 513 H GLY 70 HN GLY 70 75.309 -0.278 -10.136 514 HA2 GLY 70 HA2 GLY 70 77.286 -0.106 -8.717 515 HA3 GLY 70 HA1 GLY 70 77.882 1.185 -9.760 516 H THR 71 HN THR 71 74.954 2.270 -9.666 517 HA THR 71 HA THR 71 75.320 3.765 -7.101 518 HB THR 71 HB THR 71 73.870 5.454 -8.284 519 HG1 THR 71 HG1 THR 71 73.002 4.948 -10.132 520 HG21 THR 71 HG21 THR 71 75.593 6.166 -9.880 521 HG22 THR 71 HG22 THR 71 76.316 4.555 -9.836 522 HG23 THR 71 HG23 THR 71 76.341 5.580 -8.400 523 H VAL 72 HN VAL 72 73.553 3.968 -5.682 524 HA VAL 72 HA VAL 72 71.421 1.915 -5.962 525 HB VAL 72 HB VAL 72 72.447 3.693 -3.728 526 HG11 VAL 72 HG11 VAL 72 70.752 1.567 -2.789 527 HG12 VAL 72 HG12 VAL 72 69.856 2.536 -3.957 528 HG13 VAL 72 HG13 VAL 72 70.574 3.302 -2.541 529 HG21 VAL 72 HG21 VAL 72 72.532 0.956 -3.063 530 HG22 VAL 72 HG22 VAL 72 73.899 1.993 -3.472 531 HG23 VAL 72 HG23 VAL 72 73.096 1.054 -4.731 532 H ASP 73 HN ASP 73 69.307 2.462 -6.350 533 HA ASP 73 HA ASP 73 68.559 5.369 -6.335 534 HB2 ASP 73 HB2 ASP 73 67.335 4.955 -8.312 535 HB3 ASP 73 HB1 ASP 73 68.766 3.951 -8.523 536 H PHE 74 HN PHE 74 65.798 5.080 -6.539 537 HA PHE 74 HA PHE 74 64.970 4.593 -3.852 538 HB2 PHE 74 HB2 PHE 74 63.869 5.974 -5.674 539 HB3 PHE 74 HB1 PHE 74 63.284 4.463 -6.372 540 HD1 PHE 74 HD1 PHE 74 63.379 6.274 -3.078 541 HD2 PHE 74 HD2 PHE 74 61.213 3.647 -5.693 542 HE1 PHE 74 HE1 PHE 74 61.463 6.284 -1.502 543 HE2 PHE 74 HE2 PHE 74 59.301 3.655 -4.120 544 HZ PHE 74 HZ PHE 74 59.425 4.974 -2.020 545 H ASP 75 HN ASP 75 64.720 2.520 -6.754 546 HA ASP 75 HA ASP 75 63.293 0.343 -5.562 547 HB2 ASP 75 HB2 ASP 75 63.604 0.726 -7.985 548 HB3 ASP 75 HB1 ASP 75 65.335 0.433 -7.815 549 H GLU 76 HN GLU 76 66.817 0.571 -6.253 550 HA GLU 76 HA GLU 76 67.649 -1.753 -4.868 551 HB2 GLU 76 HB2 GLU 76 68.781 0.735 -5.931 552 HB3 GLU 76 HB1 GLU 76 69.699 0.105 -4.563 553 HG2 GLU 76 HG2 GLU 76 70.510 -1.618 -5.783 554 HG3 GLU 76 HG1 GLU 76 68.917 -2.011 -6.421 555 H PHE 77 HN PHE 77 67.422 1.611 -3.621 556 HA PHE 77 HA PHE 77 68.348 1.180 -0.986 557 HB2 PHE 77 HB2 PHE 77 67.984 3.405 -1.698 558 HB3 PHE 77 HB1 PHE 77 66.366 3.049 -2.298 559 HD1 PHE 77 HD1 PHE 77 68.268 2.847 0.942 560 HD2 PHE 77 HD2 PHE 77 64.594 3.839 -1.041 561 HE1 PHE 77 HE1 PHE 77 67.303 3.575 3.104 562 HE2 PHE 77 HE2 PHE 77 63.622 4.567 1.121 563 HZ PHE 77 HZ PHE 77 64.975 4.432 3.195 564 H LEU 78 HN LEU 78 65.014 0.810 -2.263 565 HA LEU 78 HA LEU 78 63.775 0.073 0.228 566 HB2 LEU 78 HB2 LEU 78 63.182 0.154 -2.649 567 HB3 LEU 78 HB1 LEU 78 62.339 -1.150 -1.815 568 HG LEU 78 HG LEU 78 62.353 1.508 -0.472 569 HD11 LEU 78 HD11 LEU 78 61.831 2.343 -2.617 570 HD12 LEU 78 HD12 LEU 78 60.252 2.042 -1.893 571 HD13 LEU 78 HD13 LEU 78 60.921 0.899 -3.057 572 HD21 LEU 78 HD21 LEU 78 61.218 -0.753 0.224 573 HD22 LEU 78 HD22 LEU 78 60.000 -0.305 -0.971 574 HD23 LEU 78 HD23 LEU 78 60.314 0.750 0.407 575 H VAL 79 HN VAL 79 65.238 -1.888 -2.375 576 HA VAL 79 HA VAL 79 64.610 -4.467 -1.179 577 HB VAL 79 HB VAL 79 66.688 -3.599 -3.222 578 HG11 VAL 79 HG11 VAL 79 66.101 -6.095 -3.948 579 HG12 VAL 79 HG12 VAL 79 65.752 -6.256 -2.225 580 HG13 VAL 79 HG13 VAL 79 67.359 -5.755 -2.757 581 HG21 VAL 79 HG21 VAL 79 65.033 -3.524 -4.778 582 HG22 VAL 79 HG22 VAL 79 63.927 -3.416 -3.408 583 HG23 VAL 79 HG23 VAL 79 64.264 -4.981 -4.150 584 H MET 80 HN MET 80 67.220 -2.146 -0.841 585 HA MET 80 HA MET 80 69.149 -3.936 0.401 586 HB2 MET 80 HB2 MET 80 69.700 -1.842 -0.793 587 HB3 MET 80 HB1 MET 80 68.802 -0.921 0.412 588 HG2 MET 80 HG2 MET 80 70.618 -0.844 1.731 589 HG3 MET 80 HG1 MET 80 70.675 -2.605 1.782 590 HE1 MET 80 HE1 MET 80 72.411 -0.010 1.749 591 HE2 MET 80 HE2 MET 80 73.193 0.419 0.227 592 HE3 MET 80 HE3 MET 80 73.951 -0.751 1.301 593 H MET 81 HN MET 81 66.676 -1.673 1.603 594 HA MET 81 HA MET 81 67.328 -1.720 4.376 595 HB2 MET 81 HB2 MET 81 65.258 -0.808 2.588 596 HB3 MET 81 HB1 MET 81 64.517 -1.497 4.032 597 HG2 MET 81 HG2 MET 81 65.067 0.960 4.208 598 HG3 MET 81 HG1 MET 81 65.792 -0.039 5.467 599 HE1 MET 81 HE1 MET 81 68.040 1.599 6.066 600 HE2 MET 81 HE2 MET 81 66.626 2.421 5.421 601 HE3 MET 81 HE3 MET 81 68.224 2.832 4.808 602 H VAL 82 HN VAL 82 64.920 -3.743 2.604 603 HA VAL 82 HA VAL 82 64.157 -5.335 4.868 604 HB VAL 82 HB VAL 82 63.262 -6.880 3.150 605 HG11 VAL 82 HG11 VAL 82 61.691 -5.386 2.247 606 HG12 VAL 82 HG12 VAL 82 62.864 -4.078 2.122 607 HG13 VAL 82 HG13 VAL 82 62.251 -4.567 3.703 608 HG21 VAL 82 HG21 VAL 82 65.043 -5.251 1.338 609 HG22 VAL 82 HG22 VAL 82 63.624 -6.083 0.708 610 HG23 VAL 82 HG23 VAL 82 64.920 -7.003 1.474 611 H ARG 83 HN ARG 83 66.801 -5.688 2.522 612 HA ARG 83 HA ARG 83 67.665 -8.329 3.259 613 HB2 ARG 83 HB2 ARG 83 68.664 -5.940 1.804 614 HB3 ARG 83 HB1 ARG 83 69.916 -7.029 2.399 615 HG2 ARG 83 HG2 ARG 83 69.125 -8.835 1.118 616 HG3 ARG 83 HG1 ARG 83 67.531 -8.112 0.909 617 HD2 ARG 83 HD2 ARG 83 68.216 -7.184 -1.040 618 HD3 ARG 83 HD1 ARG 83 69.485 -6.301 -0.174 619 HE ARG 83 HE ARG 83 71.005 -8.152 -0.586 620 HH11 ARG 83 HH11 ARG 83 68.615 -10.152 -0.544 621 HH12 ARG 83 HH12 ARG 83 68.687 -10.738 -2.174 622 HH21 ARG 83 HH21 ARG 83 70.804 -8.215 -3.254 623 HH22 ARG 83 HH22 ARG 83 69.921 -9.632 -3.713 624 H SER 84 HN SER 84 68.436 -5.096 4.547 625 HA SER 84 HA SER 84 70.477 -6.000 6.416 626 HB2 SER 84 HB2 SER 84 70.223 -3.695 5.439 627 HB3 SER 84 HB1 SER 84 68.765 -3.490 6.404 628 HG SER 84 HG SER 84 70.380 -2.662 7.619 629 H MET 85 HN MET 85 66.972 -5.390 6.626 630 HA MET 85 HA MET 85 66.795 -5.741 9.507 631 HB2 MET 85 HB2 MET 85 64.951 -5.563 7.148 632 HB3 MET 85 HB1 MET 85 64.297 -6.135 8.684 633 HG2 MET 85 HG2 MET 85 65.389 -4.075 9.744 634 HG3 MET 85 HG1 MET 85 65.607 -3.477 8.099 635 HE1 MET 85 HE1 MET 85 62.296 -2.807 6.667 636 HE2 MET 85 HE2 MET 85 63.921 -3.437 6.402 637 HE3 MET 85 HE3 MET 85 63.704 -1.830 7.093 638 H LYS 86 HN LYS 86 65.994 -7.839 6.721 639 HA LYS 86 HA LYS 86 65.919 -10.170 6.498 640 HB2 LYS 86 HB2 LYS 86 68.058 -9.639 8.094 641 HB3 LYS 86 HB1 LYS 86 67.108 -10.663 9.177 642 HG2 LYS 86 HG2 LYS 86 67.650 -11.439 6.305 643 HG3 LYS 86 HG1 LYS 86 68.750 -11.876 7.613 644 HD2 LYS 86 HD2 LYS 86 65.903 -12.453 8.151 645 HD3 LYS 86 HD1 LYS 86 66.603 -13.387 6.831 646 HE2 LYS 86 HE2 LYS 86 67.550 -14.749 8.376 647 HE3 LYS 86 HE1 LYS 86 68.532 -13.378 8.923 648 HZ1 LYS 86 HZ1 LYS 86 66.833 -12.691 10.400 649 HZ2 LYS 86 HZ2 LYS 86 67.036 -14.357 10.658 650 HZ3 LYS 86 HZ3 LYS 86 65.712 -13.794 9.757 651 H ASP 87 HN ASP 87 65.543 -9.903 10.068 652 HA ASP 87 HA ASP 87 63.740 -10.528 11.460 653 HB2 ASP 87 HB2 ASP 87 62.738 -9.010 9.420 654 HB3 ASP 87 HB1 ASP 87 61.805 -10.490 9.209 655 H ASP 88 HN ASP 88 61.570 -12.175 11.113 656 HA ASP 88 HA ASP 88 61.001 -14.465 10.976 657 HB2 ASP 88 HB2 ASP 88 61.382 -13.470 8.529 658 HB3 ASP 88 HB1 ASP 88 62.707 -14.637 8.520 659 H SER 89 HN SER 89 62.807 -16.509 9.665 660 HA SER 89 HA SER 89 64.552 -17.009 11.995 661 HB2 SER 89 HB2 SER 89 64.949 -19.165 10.690 662 HB3 SER 89 HB1 SER 89 63.273 -18.854 11.114 663 HG SER 89 HG SER 89 64.466 -18.122 8.639 Start of MODEL 5 1 H1 MET 1 HT1 MET 1 60.131 -19.710 -6.276 2 H2 MET 1 HT2 MET 1 61.624 -20.503 -6.484 3 H3 MET 1 HT3 MET 1 60.458 -20.539 -7.715 4 HA MET 1 HA MET 1 62.377 -18.946 -8.065 5 HB2 MET 1 HB2 MET 1 60.855 -17.407 -9.139 6 HB3 MET 1 HB1 MET 1 60.089 -18.993 -9.178 7 HG2 MET 1 HG2 MET 1 58.842 -18.346 -7.076 8 HG3 MET 1 HG1 MET 1 59.489 -16.717 -7.268 9 HE1 MET 1 HE1 MET 1 56.132 -16.363 -7.606 10 HE2 MET 1 HE2 MET 1 56.824 -17.829 -6.916 11 HE3 MET 1 HE3 MET 1 55.713 -17.947 -8.275 12 H ASP 2 HN ASP 2 62.769 -16.520 -7.664 13 HA ASP 2 HA ASP 2 62.791 -16.013 -4.740 14 HB2 ASP 2 HB2 ASP 2 64.799 -15.785 -6.238 15 HB3 ASP 2 HB1 ASP 2 63.977 -14.473 -7.078 16 H ASP 3 HN ASP 3 60.203 -15.849 -5.357 17 HA ASP 3 HA ASP 3 59.508 -13.092 -6.197 18 HB2 ASP 3 HB2 ASP 3 57.279 -13.993 -6.362 19 HB3 ASP 3 HB1 ASP 3 58.372 -15.214 -7.006 20 H ILE 4 HN ILE 4 59.614 -15.096 -3.293 21 HA ILE 4 HA ILE 4 57.952 -13.616 -1.541 22 HB ILE 4 HB ILE 4 59.448 -14.592 0.230 23 HG12 ILE 4 HG12 ILE 4 61.069 -16.306 -1.291 24 HG13 ILE 4 HG11 ILE 4 61.276 -14.720 -2.024 25 HG21 ILE 4 HG21 ILE 4 59.064 -16.972 -0.436 26 HG22 ILE 4 HG22 ILE 4 58.626 -16.416 -2.048 27 HG23 ILE 4 HG23 ILE 4 57.643 -15.949 -0.661 28 HD11 ILE 4 HD11 ILE 4 61.690 -13.786 0.274 29 HD12 ILE 4 HD12 ILE 4 62.909 -14.950 -0.253 30 HD13 ILE 4 HD13 ILE 4 61.663 -15.436 0.894 31 H TYR 5 HN TYR 5 61.296 -12.946 -2.577 32 HA TYR 5 HA TYR 5 61.814 -10.842 -0.648 33 HB2 TYR 5 HB2 TYR 5 63.057 -12.145 -2.937 34 HB3 TYR 5 HB1 TYR 5 63.327 -10.405 -2.988 35 HD1 TYR 5 HD1 TYR 5 63.915 -9.339 -0.581 36 HD2 TYR 5 HD2 TYR 5 64.567 -13.427 -1.725 37 HE1 TYR 5 HE1 TYR 5 65.646 -9.559 1.178 38 HE2 TYR 5 HE2 TYR 5 66.300 -13.645 0.036 39 HH TYR 5 HH TYR 5 66.820 -12.479 2.262 40 H LYS 6 HN LYS 6 60.697 -10.847 -4.042 41 HA LYS 6 HA LYS 6 60.410 -7.976 -4.277 42 HB2 LYS 6 HB2 LYS 6 59.382 -10.423 -5.723 43 HB3 LYS 6 HB1 LYS 6 58.871 -8.806 -6.206 44 HG2 LYS 6 HG2 LYS 6 60.729 -8.862 -7.513 45 HG3 LYS 6 HG1 LYS 6 61.571 -8.447 -6.021 46 HD2 LYS 6 HD2 LYS 6 62.218 -10.691 -5.628 47 HD3 LYS 6 HD1 LYS 6 61.018 -11.323 -6.757 48 HE2 LYS 6 HE2 LYS 6 62.271 -10.200 -8.630 49 HE3 LYS 6 HE1 LYS 6 63.542 -9.784 -7.460 50 HZ1 LYS 6 HZ1 LYS 6 64.261 -11.836 -8.159 51 HZ2 LYS 6 HZ2 LYS 6 62.690 -12.436 -8.416 52 HZ3 LYS 6 HZ3 LYS 6 63.301 -12.300 -6.839 53 H ALA 7 HN ALA 7 58.228 -10.624 -3.338 54 HA ALA 7 HA ALA 7 55.775 -9.187 -3.222 55 HB1 ALA 7 HB1 ALA 7 55.379 -11.040 -1.382 56 HB2 ALA 7 HB2 ALA 7 56.961 -11.617 -1.908 57 HB3 ALA 7 HB3 ALA 7 55.630 -11.517 -3.061 58 H ALA 8 HN ALA 8 58.377 -9.551 -0.802 59 HA ALA 8 HA ALA 8 57.067 -8.293 1.405 60 HB1 ALA 8 HB1 ALA 8 59.393 -7.985 2.203 61 HB2 ALA 8 HB2 ALA 8 59.989 -8.347 0.583 62 HB3 ALA 8 HB3 ALA 8 59.161 -9.594 1.516 63 H VAL 9 HN VAL 9 59.268 -6.877 -1.063 64 HA VAL 9 HA VAL 9 59.124 -4.165 -0.165 65 HB VAL 9 HB VAL 9 59.586 -5.448 -2.881 66 HG11 VAL 9 HG11 VAL 9 59.603 -2.570 -2.021 67 HG12 VAL 9 HG12 VAL 9 59.040 -3.275 -3.534 68 HG13 VAL 9 HG13 VAL 9 60.770 -3.112 -3.229 69 HG21 VAL 9 HG21 VAL 9 61.947 -4.914 -2.376 70 HG22 VAL 9 HG22 VAL 9 61.254 -5.962 -1.139 71 HG23 VAL 9 HG23 VAL 9 61.459 -4.240 -0.821 72 H GLU 10 HN GLU 10 57.064 -5.982 -2.445 73 HA GLU 10 HA GLU 10 55.437 -3.662 -3.155 74 HB2 GLU 10 HB2 GLU 10 55.410 -6.634 -3.633 75 HB3 GLU 10 HB1 GLU 10 54.011 -5.659 -4.089 76 HG2 GLU 10 HG2 GLU 10 56.843 -5.016 -4.946 77 HG3 GLU 10 HG1 GLU 10 55.716 -5.945 -5.932 78 H GLN 11 HN GLN 11 55.030 -6.449 -0.938 79 HA GLN 11 HA GLN 11 52.363 -5.437 -0.104 80 HB2 GLN 11 HB2 GLN 11 53.965 -7.896 0.690 81 HB3 GLN 11 HB1 GLN 11 52.274 -7.599 1.093 82 HG2 GLN 11 HG2 GLN 11 53.443 -7.973 -1.681 83 HG3 GLN 11 HG1 GLN 11 52.334 -9.056 -0.842 84 HE21 GLN 11 HE21 GLN 11 52.330 -6.837 -3.271 85 HE22 GLN 11 HE22 GLN 11 50.755 -6.225 -3.116 86 H LEU 12 HN LEU 12 55.151 -4.188 0.660 87 HA LEU 12 HA LEU 12 55.481 -4.547 3.505 88 HB2 LEU 12 HB2 LEU 12 56.533 -2.940 1.306 89 HB3 LEU 12 HB1 LEU 12 56.412 -1.999 2.792 90 HG LEU 12 HG LEU 12 57.650 -4.756 2.750 91 HD11 LEU 12 HD11 LEU 12 59.579 -3.965 1.886 92 HD12 LEU 12 HD12 LEU 12 59.524 -2.528 2.906 93 HD13 LEU 12 HD13 LEU 12 58.656 -2.553 1.370 94 HD21 LEU 12 HD21 LEU 12 58.475 -2.570 4.592 95 HD22 LEU 12 HD22 LEU 12 58.278 -4.294 4.911 96 HD23 LEU 12 HD23 LEU 12 56.865 -3.243 4.842 97 H THR 13 HN THR 13 54.820 -3.076 5.206 98 HA THR 13 HA THR 13 52.122 -2.056 4.963 99 HB THR 13 HB THR 13 52.722 -1.160 7.292 100 HG1 THR 13 HG1 THR 13 54.724 -1.873 8.072 101 HG21 THR 13 HG21 THR 13 52.884 -3.999 6.384 102 HG22 THR 13 HG22 THR 13 51.692 -3.222 7.426 103 HG23 THR 13 HG23 THR 13 53.282 -3.643 8.064 104 H GLU 14 HN GLU 14 51.429 0.147 5.155 105 HA GLU 14 HA GLU 14 52.635 2.049 3.457 106 HB2 GLU 14 HB2 GLU 14 50.681 2.127 5.742 107 HB3 GLU 14 HB1 GLU 14 51.148 3.622 4.932 108 HG2 GLU 14 HG2 GLU 14 49.572 3.153 3.384 109 HG3 GLU 14 HG1 GLU 14 50.613 1.834 2.844 110 H GLU 15 HN GLU 15 52.863 1.810 7.030 111 HA GLU 15 HA GLU 15 54.386 4.129 7.555 112 HB2 GLU 15 HB2 GLU 15 53.830 1.504 8.804 113 HB3 GLU 15 HB1 GLU 15 55.301 2.292 9.376 114 HG2 GLU 15 HG2 GLU 15 54.148 4.133 10.226 115 HG3 GLU 15 HG1 GLU 15 52.779 3.908 9.140 116 H GLN 16 HN GLN 16 55.527 0.867 6.597 117 HA GLN 16 HA GLN 16 58.355 1.485 6.744 118 HB2 GLN 16 HB2 GLN 16 56.677 -0.599 5.309 119 HB3 GLN 16 HB1 GLN 16 58.437 -0.612 5.271 120 HG2 GLN 16 HG2 GLN 16 57.399 -0.277 7.978 121 HG3 GLN 16 HG1 GLN 16 56.840 -1.772 7.224 122 HE21 GLN 16 HE21 GLN 16 59.798 0.029 8.118 123 HE22 GLN 16 HE22 GLN 16 60.824 -1.324 8.055 124 H LYS 17 HN LYS 17 56.109 1.201 3.983 125 HA LYS 17 HA LYS 17 57.839 2.003 1.889 126 HB2 LYS 17 HB2 LYS 17 54.955 1.825 2.474 127 HB3 LYS 17 HB1 LYS 17 55.350 2.991 1.212 128 HG2 LYS 17 HG2 LYS 17 55.734 1.335 -0.264 129 HG3 LYS 17 HG1 LYS 17 56.897 0.583 0.824 130 HD2 LYS 17 HD2 LYS 17 55.419 -1.091 1.110 131 HD3 LYS 17 HD1 LYS 17 54.403 0.052 1.983 132 HE2 LYS 17 HE2 LYS 17 53.056 0.489 0.109 133 HE3 LYS 17 HE1 LYS 17 54.297 -0.076 -1.030 134 HZ1 LYS 17 HZ1 LYS 17 53.097 -1.851 1.018 135 HZ2 LYS 17 HZ2 LYS 17 54.006 -2.292 -0.348 136 HZ3 LYS 17 HZ3 LYS 17 52.430 -1.692 -0.537 137 H ASN 18 HN ASN 18 55.993 4.027 4.182 138 HA ASN 18 HA ASN 18 56.571 6.535 2.830 139 HB2 ASN 18 HB2 ASN 18 54.908 7.137 4.236 140 HB3 ASN 18 HB1 ASN 18 54.970 5.545 4.975 141 HD21 ASN 18 HD21 ASN 18 56.390 8.831 5.212 142 HD22 ASN 18 HD22 ASN 18 56.815 8.696 6.848 143 H GLU 19 HN GLU 19 58.082 4.752 5.525 144 HA GLU 19 HA GLU 19 59.923 6.830 6.290 145 HB2 GLU 19 HB2 GLU 19 60.518 5.278 7.875 146 HB3 GLU 19 HB1 GLU 19 59.078 4.445 7.298 147 HG2 GLU 19 HG2 GLU 19 60.430 3.070 5.793 148 HG3 GLU 19 HG1 GLU 19 61.883 3.957 6.243 149 H PHE 20 HN PHE 20 60.115 4.167 3.953 150 HA PHE 20 HA PHE 20 62.918 4.494 3.298 151 HB2 PHE 20 HB2 PHE 20 60.548 3.327 1.804 152 HB3 PHE 20 HB1 PHE 20 62.229 3.100 1.326 153 HD1 PHE 20 HD1 PHE 20 63.375 2.904 4.175 154 HD2 PHE 20 HD2 PHE 20 60.004 1.052 2.271 155 HE1 PHE 20 HE1 PHE 20 63.539 0.988 5.742 156 HE2 PHE 20 HE2 PHE 20 60.169 -0.858 3.833 157 HZ PHE 20 HZ PHE 20 61.936 -0.896 5.570 158 H LYS 21 HN LYS 21 59.886 5.654 1.796 159 HA LYS 21 HA LYS 21 61.129 7.051 -0.400 160 HB2 LYS 21 HB2 LYS 21 58.761 6.282 -0.240 161 HB3 LYS 21 HB1 LYS 21 58.466 7.498 0.997 162 HG2 LYS 21 HG2 LYS 21 59.699 8.506 -1.507 163 HG3 LYS 21 HG1 LYS 21 58.044 7.915 -1.663 164 HD2 LYS 21 HD2 LYS 21 57.174 9.579 -0.343 165 HD3 LYS 21 HD1 LYS 21 58.611 9.674 0.674 166 HE2 LYS 21 HE2 LYS 21 59.149 10.478 -2.101 167 HE3 LYS 21 HE1 LYS 21 57.941 11.503 -1.306 168 HZ1 LYS 21 HZ1 LYS 21 59.464 11.587 0.644 169 HZ2 LYS 21 HZ2 LYS 21 60.091 12.338 -0.744 170 HZ3 LYS 21 HZ3 LYS 21 60.644 10.797 -0.289 171 H ALA 22 HN ALA 22 59.951 8.181 2.793 172 HA ALA 22 HA ALA 22 60.528 10.956 2.429 173 HB1 ALA 22 HB1 ALA 22 60.621 9.301 4.971 174 HB2 ALA 22 HB2 ALA 22 59.132 9.866 4.210 175 HB3 ALA 22 HB3 ALA 22 60.288 11.030 4.853 176 H ALA 23 HN ALA 23 62.516 8.362 3.896 177 HA ALA 23 HA ALA 23 64.784 10.074 4.465 178 HB1 ALA 23 HB1 ALA 23 65.795 8.008 5.129 179 HB2 ALA 23 HB2 ALA 23 64.744 7.072 4.065 180 HB3 ALA 23 HB3 ALA 23 64.079 7.842 5.504 181 H PHE 24 HN PHE 24 64.194 7.634 1.901 182 HA PHE 24 HA PHE 24 66.625 7.801 0.496 183 HB2 PHE 24 HB2 PHE 24 64.806 6.179 0.133 184 HB3 PHE 24 HB1 PHE 24 63.788 7.454 -0.532 185 HD1 PHE 24 HD1 PHE 24 66.916 5.514 -1.066 186 HD2 PHE 24 HD2 PHE 24 64.053 8.225 -2.787 187 HE1 PHE 24 HE1 PHE 24 67.918 5.158 -3.309 188 HE2 PHE 24 HE2 PHE 24 65.055 7.865 -5.027 189 HZ PHE 24 HZ PHE 24 66.987 6.334 -5.287 190 H ASP 25 HN ASP 25 63.753 9.909 0.148 191 HA ASP 25 HA ASP 25 64.776 11.392 -2.118 192 HB2 ASP 25 HB2 ASP 25 62.538 11.564 -0.146 193 HB3 ASP 25 HB1 ASP 25 62.916 13.014 -1.074 194 H ILE 26 HN ILE 26 65.353 11.694 1.341 195 HA ILE 26 HA ILE 26 65.945 14.439 1.630 196 HB ILE 26 HB ILE 26 67.229 11.956 2.822 197 HG12 ILE 26 HG12 ILE 26 65.260 13.947 4.004 198 HG13 ILE 26 HG11 ILE 26 64.789 12.419 3.272 199 HG21 ILE 26 HG21 ILE 26 67.555 14.874 3.595 200 HG22 ILE 26 HG22 ILE 26 68.827 13.778 3.053 201 HG23 ILE 26 HG23 ILE 26 68.046 13.520 4.613 202 HD11 ILE 26 HD11 ILE 26 66.518 12.818 5.725 203 HD12 ILE 26 HD12 ILE 26 66.362 11.272 4.897 204 HD13 ILE 26 HD13 ILE 26 64.946 12.022 5.634 205 H PHE 27 HN PHE 27 68.068 11.853 0.398 206 HA PHE 27 HA PHE 27 70.121 13.908 -0.284 207 HB2 PHE 27 HB2 PHE 27 70.927 11.224 -0.951 208 HB3 PHE 27 HB1 PHE 27 71.587 12.283 0.291 209 HD1 PHE 27 HD2 PHE 27 70.363 12.355 2.579 210 HD2 PHE 27 HD1 PHE 27 69.694 9.329 -0.385 211 HE1 PHE 27 HE2 PHE 27 69.385 10.879 4.312 212 HE2 PHE 27 HE1 PHE 27 68.715 7.846 1.348 213 HZ PHE 27 HZ PHE 27 68.560 8.621 3.699 214 H VAL 28 HN VAL 28 68.071 11.417 -1.793 215 HA VAL 28 HA VAL 28 69.101 11.593 -4.453 216 HB VAL 28 HB VAL 28 66.492 10.817 -3.163 217 HG11 VAL 28 HG11 VAL 28 65.983 9.845 -5.520 218 HG12 VAL 28 HG12 VAL 28 67.092 11.086 -6.100 219 HG13 VAL 28 HG13 VAL 28 65.633 11.549 -5.225 220 HG21 VAL 28 HG21 VAL 28 68.907 9.547 -3.508 221 HG22 VAL 28 HG22 VAL 28 67.989 8.965 -4.895 222 HG23 VAL 28 HG23 VAL 28 67.367 8.723 -3.262 223 H GLN 29 HN GLN 29 66.711 13.619 -2.765 224 HA GLN 29 HA GLN 29 65.669 15.027 -5.023 225 HB2 GLN 29 HB2 GLN 29 64.657 15.062 -2.810 226 HB3 GLN 29 HB1 GLN 29 66.106 15.786 -2.118 227 HG2 GLN 29 HG2 GLN 29 64.430 17.524 -2.440 228 HG3 GLN 29 HG1 GLN 29 65.748 17.788 -3.579 229 HE21 GLN 29 HE21 GLN 29 65.336 17.269 -5.873 230 HE22 GLN 29 HE22 GLN 29 63.750 17.107 -6.450 231 H GLY 30 HN GLY 30 68.547 15.637 -3.000 232 HA2 GLY 30 HA2 GLY 30 69.270 17.927 -4.765 233 HA3 GLY 30 HA1 GLY 30 69.993 17.591 -3.193 234 H ALA 31 HN ALA 31 69.482 15.302 -5.891 235 HA ALA 31 HA ALA 31 72.446 14.842 -5.914 236 HB1 ALA 31 HB1 ALA 31 70.483 13.129 -5.278 237 HB2 ALA 31 HB2 ALA 31 71.953 12.595 -6.091 238 HB3 ALA 31 HB3 ALA 31 70.486 12.889 -7.027 239 H GLU 32 HN GLU 32 73.090 13.796 -8.176 240 HA GLU 32 HA GLU 32 72.411 15.797 -10.229 241 HB2 GLU 32 HB2 GLU 32 74.249 13.369 -10.270 242 HB3 GLU 32 HB1 GLU 32 74.222 14.658 -11.472 243 HG2 GLU 32 HG2 GLU 32 75.792 15.680 -10.198 244 HG3 GLU 32 HG1 GLU 32 74.477 16.049 -9.083 245 H ASP 33 HN ASP 33 72.255 12.216 -10.009 246 HA ASP 33 HA ASP 33 70.248 12.244 -12.244 247 HB2 ASP 33 HB2 ASP 33 72.159 10.168 -11.132 248 HB3 ASP 33 HB1 ASP 33 70.946 9.799 -12.358 249 H GLY 34 HN GLY 34 70.131 12.332 -8.976 250 HA2 GLY 34 HA2 GLY 34 68.329 11.843 -7.526 251 HA3 GLY 34 HA1 GLY 34 67.532 11.005 -8.856 252 H SER 35 HN SER 35 70.825 10.261 -7.795 253 HA SER 35 HA SER 35 69.815 7.697 -6.610 254 HB2 SER 35 HB2 SER 35 71.270 8.166 -9.040 255 HB3 SER 35 HB1 SER 35 72.304 7.275 -7.927 256 HG SER 35 HG SER 35 70.791 5.680 -7.807 257 H ILE 36 HN ILE 36 71.412 6.682 -5.127 258 HA ILE 36 HA ILE 36 73.176 8.732 -3.816 259 HB ILE 36 HB ILE 36 72.014 6.140 -2.741 260 HG12 ILE 36 HG12 ILE 36 71.011 8.877 -1.991 261 HG13 ILE 36 HG11 ILE 36 70.392 8.099 -3.447 262 HG21 ILE 36 HG21 ILE 36 73.925 6.822 -1.452 263 HG22 ILE 36 HG22 ILE 36 72.496 7.300 -0.536 264 HG23 ILE 36 HG23 ILE 36 73.399 8.506 -1.451 265 HD11 ILE 36 HD11 ILE 36 69.332 7.695 -0.982 266 HD12 ILE 36 HD12 ILE 36 70.513 6.392 -1.028 267 HD13 ILE 36 HD13 ILE 36 69.265 6.497 -2.271 268 H SER 37 HN SER 37 75.372 8.241 -3.525 269 HA SER 37 HA SER 37 76.410 5.823 -4.935 270 HB2 SER 37 HB2 SER 37 77.313 8.059 -5.462 271 HB3 SER 37 HB1 SER 37 77.728 8.301 -3.766 272 HG SER 37 HG SER 37 79.455 7.514 -5.194 273 H THR 38 HN THR 38 78.156 4.563 -3.803 274 HA THR 38 HA THR 38 77.401 3.594 -1.249 275 HB THR 38 HB THR 38 79.704 2.587 -1.283 276 HG1 THR 38 HG1 THR 38 81.167 3.544 -2.410 277 HG21 THR 38 HG21 THR 38 78.630 1.090 -2.572 278 HG22 THR 38 HG22 THR 38 79.212 1.977 -3.983 279 HG23 THR 38 HG23 THR 38 77.633 2.353 -3.296 280 H LYS 39 HN LYS 39 79.459 6.326 -2.079 281 HA LYS 39 HA LYS 39 80.773 6.672 0.454 282 HB2 LYS 39 HB2 LYS 39 79.995 8.639 -1.726 283 HB3 LYS 39 HB1 LYS 39 81.189 8.944 -0.466 284 HG2 LYS 39 HG2 LYS 39 81.424 6.571 -2.324 285 HG3 LYS 39 HG1 LYS 39 82.073 8.154 -2.753 286 HD2 LYS 39 HD2 LYS 39 83.393 8.150 -0.636 287 HD3 LYS 39 HD1 LYS 39 82.811 6.518 -0.307 288 HE2 LYS 39 HE2 LYS 39 84.042 6.997 -2.994 289 HE3 LYS 39 HE1 LYS 39 85.131 6.928 -1.598 290 HZ1 LYS 39 HZ1 LYS 39 84.661 4.711 -2.561 291 HZ2 LYS 39 HZ2 LYS 39 83.021 4.913 -2.185 292 HZ3 LYS 39 HZ3 LYS 39 84.175 4.838 -0.942 293 H GLU 40 HN GLU 40 77.650 7.812 -0.810 294 HA GLU 40 HA GLU 40 77.132 9.389 1.653 295 HB2 GLU 40 HB2 GLU 40 75.877 9.055 -1.069 296 HB3 GLU 40 HB1 GLU 40 75.006 9.879 0.221 297 HG2 GLU 40 HG2 GLU 40 77.460 11.065 0.409 298 HG3 GLU 40 HG1 GLU 40 77.365 10.762 -1.328 299 H LEU 41 HN LEU 41 76.005 6.476 -0.025 300 HA LEU 41 HA LEU 41 73.647 6.035 1.547 301 HB2 LEU 41 HB2 LEU 41 74.695 5.042 -0.711 302 HB3 LEU 41 HB1 LEU 41 75.164 3.763 0.409 303 HG LEU 41 HG LEU 41 72.401 4.678 0.797 304 HD11 LEU 41 HD11 LEU 41 72.919 4.807 -1.776 305 HD12 LEU 41 HD12 LEU 41 71.454 3.993 -1.228 306 HD13 LEU 41 HD13 LEU 41 72.868 3.048 -1.685 307 HD21 LEU 41 HD21 LEU 41 73.456 2.662 1.828 308 HD22 LEU 41 HD22 LEU 41 73.606 1.953 0.217 309 HD23 LEU 41 HD23 LEU 41 72.011 2.268 0.894 310 H GLY 42 HN GLY 42 77.037 5.349 2.180 311 HA2 GLY 42 HA2 GLY 42 76.802 3.237 4.049 312 HA3 GLY 42 HA1 GLY 42 78.082 4.449 4.079 313 H LYS 43 HN LYS 43 76.638 6.764 4.618 314 HA LYS 43 HA LYS 43 76.097 6.451 7.472 315 HB2 LYS 43 HB2 LYS 43 76.201 8.674 5.439 316 HB3 LYS 43 HB1 LYS 43 75.558 8.993 7.048 317 HG2 LYS 43 HG2 LYS 43 77.602 8.747 8.064 318 HG3 LYS 43 HG1 LYS 43 78.125 7.495 6.933 319 HD2 LYS 43 HD2 LYS 43 79.458 9.176 6.145 320 HD3 LYS 43 HD1 LYS 43 78.005 9.593 5.241 321 HE2 LYS 43 HE2 LYS 43 77.573 11.459 6.537 322 HE3 LYS 43 HE1 LYS 43 78.250 10.725 8.003 323 HZ1 LYS 43 HZ1 LYS 43 79.686 12.474 6.989 324 HZ2 LYS 43 HZ2 LYS 43 79.876 11.471 5.631 325 HZ3 LYS 43 HZ3 LYS 43 80.446 10.965 7.148 326 H VAL 44 HN VAL 44 74.152 6.959 4.530 327 HA VAL 44 HA VAL 44 71.651 7.716 5.500 328 HB VAL 44 HB VAL 44 72.614 5.892 3.307 329 HG11 VAL 44 HG11 VAL 44 69.808 6.173 4.295 330 HG12 VAL 44 HG12 VAL 44 70.576 4.817 3.469 331 HG13 VAL 44 HG13 VAL 44 70.056 6.229 2.549 332 HG21 VAL 44 HG21 VAL 44 72.901 8.241 2.935 333 HG22 VAL 44 HG22 VAL 44 71.268 8.593 3.499 334 HG23 VAL 44 HG23 VAL 44 71.509 7.752 1.969 335 H MET 45 HN MET 45 72.950 4.366 5.435 336 HA MET 45 HA MET 45 70.624 3.071 6.450 337 HB2 MET 45 HB2 MET 45 73.571 2.404 6.805 338 HB3 MET 45 HB1 MET 45 72.231 1.271 7.003 339 HG2 MET 45 HG2 MET 45 71.894 2.564 4.489 340 HG3 MET 45 HG1 MET 45 73.567 2.009 4.578 341 HE1 MET 45 HE1 MET 45 69.976 0.842 5.727 342 HE2 MET 45 HE2 MET 45 69.688 -0.322 4.435 343 HE3 MET 45 HE3 MET 45 70.022 1.366 4.038 344 H ARG 46 HN ARG 46 73.467 4.387 8.216 345 HA ARG 46 HA ARG 46 72.657 3.681 10.846 346 HB2 ARG 46 HB2 ARG 46 74.720 5.075 9.600 347 HB3 ARG 46 HB1 ARG 46 73.950 6.310 10.597 348 HG2 ARG 46 HG2 ARG 46 74.688 5.364 12.523 349 HG3 ARG 46 HG1 ARG 46 74.241 3.745 11.992 350 HD2 ARG 46 HD2 ARG 46 76.752 5.223 11.099 351 HD3 ARG 46 HD1 ARG 46 76.697 3.918 12.303 352 HE ARG 46 HE ARG 46 75.382 2.765 10.215 353 HH11 ARG 46 HH11 ARG 46 77.072 4.896 8.635 354 HH12 ARG 46 HH12 ARG 46 78.365 3.880 8.097 355 HH21 ARG 46 HH21 ARG 46 77.580 1.293 10.275 356 HH22 ARG 46 HH22 ARG 46 78.639 1.825 9.015 357 H MET 47 HN MET 47 71.634 6.394 8.779 358 HA MET 47 HA MET 47 70.166 7.806 10.875 359 HB2 MET 47 HB2 MET 47 69.938 7.950 7.842 360 HB3 MET 47 HB1 MET 47 69.414 9.181 8.998 361 HG2 MET 47 HG2 MET 47 71.924 9.058 9.801 362 HG3 MET 47 HG1 MET 47 72.195 8.410 8.183 363 HE1 MET 47 HE1 MET 47 70.864 9.219 6.313 364 HE2 MET 47 HE2 MET 47 71.145 10.858 5.733 365 HE3 MET 47 HE3 MET 47 69.638 10.470 6.560 366 H LEU 48 HN LEU 48 69.400 5.187 8.636 367 HA LEU 48 HA LEU 48 66.480 5.470 9.190 368 HB2 LEU 48 HB2 LEU 48 68.202 4.486 7.079 369 HB3 LEU 48 HB1 LEU 48 67.036 3.247 7.542 370 HG LEU 48 HG LEU 48 66.046 6.048 7.172 371 HD11 LEU 48 HD11 LEU 48 65.626 5.229 4.709 372 HD12 LEU 48 HD12 LEU 48 67.035 4.213 5.011 373 HD13 LEU 48 HD13 LEU 48 67.171 5.967 5.132 374 HD21 LEU 48 HD21 LEU 48 64.938 3.270 6.623 375 HD22 LEU 48 HD22 LEU 48 64.072 4.767 6.284 376 HD23 LEU 48 HD23 LEU 48 64.478 4.343 7.946 377 H GLY 49 HN GLY 49 68.523 4.417 11.247 378 HA2 GLY 49 HA2 GLY 49 68.399 2.794 12.947 379 HA3 GLY 49 HA1 GLY 49 66.879 2.259 12.234 380 H GLN 50 HN GLN 50 70.238 2.303 10.953 381 HA GLN 50 HA GLN 50 70.024 -0.675 10.570 382 HB2 GLN 50 HB2 GLN 50 71.424 1.211 8.663 383 HB3 GLN 50 HB1 GLN 50 70.898 -0.438 8.362 384 HG2 GLN 50 HG2 GLN 50 68.879 1.719 8.973 385 HG3 GLN 50 HG1 GLN 50 69.518 1.521 7.342 386 HE21 GLN 50 HE21 GLN 50 66.889 0.677 9.089 387 HE22 GLN 50 HE22 GLN 50 66.541 -0.831 8.403 388 H ASN 51 HN ASN 51 72.119 -1.791 10.689 389 HA ASN 51 HA ASN 51 74.363 -0.086 11.710 390 HB2 ASN 51 HB2 ASN 51 74.821 -2.002 13.322 391 HB3 ASN 51 HB1 ASN 51 73.338 -1.105 13.636 392 HD21 ASN 51 HD21 ASN 51 74.644 -4.210 12.616 393 HD22 ASN 51 HD22 ASN 51 73.160 -5.030 12.570 394 HA PRO 52 HA PRO 52 75.787 -3.338 8.571 395 HB2 PRO 52 HB2 PRO 52 75.895 -1.849 6.292 396 HB3 PRO 52 HB1 PRO 52 74.450 -2.766 6.764 397 HG2 PRO 52 HG2 PRO 52 74.999 0.146 6.996 398 HG3 PRO 52 HG1 PRO 52 73.487 -0.692 6.622 399 HD2 PRO 52 HD2 PRO 52 74.118 0.377 9.071 400 HD3 PRO 52 HD1 PRO 52 72.937 -0.924 8.804 401 H THR 53 HN THR 53 78.002 -3.269 7.631 402 HA THR 53 HA THR 53 79.680 -1.119 8.810 403 HB THR 53 HB THR 53 81.486 -2.765 7.908 404 HG1 THR 53 HG1 THR 53 80.793 -4.552 7.036 405 HG21 THR 53 HG21 THR 53 79.588 -3.080 10.159 406 HG22 THR 53 HG22 THR 53 81.350 -2.999 10.172 407 HG23 THR 53 HG23 THR 53 80.542 -4.510 9.760 408 HA PRO 54 HA PRO 54 79.993 0.971 4.957 409 HB2 PRO 54 HB2 PRO 54 82.395 2.219 5.279 410 HB3 PRO 54 HB1 PRO 54 80.908 2.720 6.113 411 HG2 PRO 54 HG2 PRO 54 83.168 1.050 7.127 412 HG3 PRO 54 HG1 PRO 54 82.287 2.354 7.937 413 HD2 PRO 54 HD2 PRO 54 81.788 -0.259 8.427 414 HD3 PRO 54 HD1 PRO 54 80.517 0.984 8.498 415 H GLU 55 HN GLU 55 82.239 -1.522 5.810 416 HA GLU 55 HA GLU 55 83.683 -1.291 3.231 417 HB2 GLU 55 HB2 GLU 55 84.317 -3.738 4.600 418 HB3 GLU 55 HB1 GLU 55 85.341 -2.337 4.336 419 HG2 GLU 55 HG2 GLU 55 85.379 -2.358 6.625 420 HG3 GLU 55 HG1 GLU 55 83.923 -1.399 6.421 421 H GLU 56 HN GLU 56 81.448 -3.537 4.880 422 HA GLU 56 HA GLU 56 81.189 -5.268 2.531 423 HB2 GLU 56 HB2 GLU 56 79.816 -4.945 5.204 424 HB3 GLU 56 HB1 GLU 56 79.180 -6.060 3.993 425 HG2 GLU 56 HG2 GLU 56 82.073 -6.120 4.864 426 HG3 GLU 56 HG1 GLU 56 80.824 -7.058 5.684 427 H LEU 57 HN LEU 57 79.427 -2.548 3.968 428 HA LEU 57 HA LEU 57 77.061 -2.588 2.377 429 HB2 LEU 57 HB2 LEU 57 77.475 -1.240 4.414 430 HB3 LEU 57 HB1 LEU 57 78.681 -0.293 3.549 431 HG LEU 57 HG LEU 57 76.227 0.618 3.835 432 HD11 LEU 57 HD11 LEU 57 78.329 1.121 2.080 433 HD12 LEU 57 HD12 LEU 57 76.927 2.154 2.352 434 HD13 LEU 57 HD13 LEU 57 76.917 0.989 1.028 435 HD21 LEU 57 HD21 LEU 57 75.847 -0.813 1.213 436 HD22 LEU 57 HD22 LEU 57 74.638 -0.062 2.255 437 HD23 LEU 57 HD23 LEU 57 75.377 -1.592 2.724 438 H GLN 58 HN GLN 58 80.274 -1.115 1.772 439 HA GLN 58 HA GLN 58 79.741 0.285 -0.626 440 HB2 GLN 58 HB2 GLN 58 81.849 0.498 0.474 441 HB3 GLN 58 HB1 GLN 58 82.114 -1.244 0.463 442 HG2 GLN 58 HG2 GLN 58 83.531 -0.280 -1.234 443 HG3 GLN 58 HG1 GLN 58 82.229 -1.139 -2.058 444 HE21 GLN 58 HE21 GLN 58 81.408 0.055 -3.762 445 HE22 GLN 58 HE22 GLN 58 81.310 1.750 -3.819 446 H GLU 59 HN GLU 59 80.751 -3.136 -0.218 447 HA GLU 59 HA GLU 59 80.486 -3.780 -3.040 448 HB2 GLU 59 HB2 GLU 59 81.966 -5.013 -1.514 449 HB3 GLU 59 HB1 GLU 59 80.590 -5.476 -0.515 450 HG2 GLU 59 HG2 GLU 59 79.679 -6.448 -2.818 451 HG3 GLU 59 HG1 GLU 59 81.399 -6.484 -3.216 452 H MET 60 HN MET 60 78.421 -4.168 -0.160 453 HA MET 60 HA MET 60 76.276 -5.669 -1.179 454 HB2 MET 60 HB2 MET 60 76.869 -3.837 0.983 455 HB3 MET 60 HB1 MET 60 75.215 -3.598 0.429 456 HG2 MET 60 HG2 MET 60 75.282 -6.299 0.462 457 HG3 MET 60 HG1 MET 60 76.455 -5.964 1.735 458 HE1 MET 60 HE1 MET 60 73.232 -3.431 1.090 459 HE2 MET 60 HE2 MET 60 72.113 -4.762 1.375 460 HE3 MET 60 HE3 MET 60 73.358 -4.914 0.134 461 H ILE 61 HN ILE 61 76.625 -2.086 -1.290 462 HA ILE 61 HA ILE 61 74.234 -1.554 -2.752 463 HB ILE 61 HB ILE 61 76.877 -0.180 -2.314 464 HG12 ILE 61 HG12 ILE 61 74.019 0.691 -1.779 465 HG13 ILE 61 HG11 ILE 61 75.006 -0.187 -0.613 466 HG21 ILE 61 HG21 ILE 61 76.642 0.801 -4.361 467 HG22 ILE 61 HG22 ILE 61 75.441 1.781 -3.524 468 HG23 ILE 61 HG23 ILE 61 74.931 0.389 -4.479 469 HD11 ILE 61 HD11 ILE 61 75.209 2.643 -1.517 470 HD12 ILE 61 HD12 ILE 61 76.732 1.794 -1.238 471 HD13 ILE 61 HD13 ILE 61 75.551 1.939 0.062 472 H ASP 62 HN ASP 62 77.584 -2.059 -3.985 473 HA ASP 62 HA ASP 62 76.910 -1.786 -6.760 474 HB2 ASP 62 HB2 ASP 62 79.142 -3.045 -5.175 475 HB3 ASP 62 HB1 ASP 62 79.100 -3.210 -6.932 476 H GLU 63 HN GLU 63 76.984 -4.642 -4.614 477 HA GLU 63 HA GLU 63 76.465 -6.615 -6.642 478 HB2 GLU 63 HB2 GLU 63 77.146 -6.684 -4.056 479 HB3 GLU 63 HB1 GLU 63 75.406 -6.875 -3.845 480 HG2 GLU 63 HG2 GLU 63 76.297 -9.088 -4.030 481 HG3 GLU 63 HG1 GLU 63 75.531 -8.742 -5.579 482 H VAL 64 HN VAL 64 74.274 -4.668 -4.574 483 HA VAL 64 HA VAL 64 71.820 -5.840 -5.600 484 HB VAL 64 HB VAL 64 72.478 -3.216 -4.205 485 HG11 VAL 64 HG11 VAL 64 69.774 -4.113 -3.797 486 HG12 VAL 64 HG12 VAL 64 70.073 -3.965 -5.528 487 HG13 VAL 64 HG13 VAL 64 70.335 -2.581 -4.469 488 HG21 VAL 64 HG21 VAL 64 71.036 -4.810 -2.478 489 HG22 VAL 64 HG22 VAL 64 72.794 -4.677 -2.489 490 HG23 VAL 64 HG23 VAL 64 72.007 -5.999 -3.349 491 H ASP 65 HN ASP 65 73.971 -3.287 -6.693 492 HA ASP 65 HA ASP 65 72.221 -1.872 -8.464 493 HB2 ASP 65 HB2 ASP 65 74.682 -1.515 -7.511 494 HB3 ASP 65 HB1 ASP 65 75.140 -2.291 -9.025 495 H GLU 66 HN GLU 66 71.010 -3.203 -9.854 496 HA GLU 66 HA GLU 66 72.335 -5.373 -11.362 497 HB2 GLU 66 HB2 GLU 66 69.594 -4.493 -10.678 498 HB3 GLU 66 HB1 GLU 66 69.758 -5.257 -12.261 499 HG2 GLU 66 HG2 GLU 66 70.936 -7.169 -11.199 500 HG3 GLU 66 HG1 GLU 66 70.699 -6.425 -9.620 501 H ASP 67 HN ASP 67 71.158 -2.090 -11.999 502 HA ASP 67 HA ASP 67 71.208 -2.377 -14.902 503 HB2 ASP 67 HB2 ASP 67 71.091 0.175 -14.752 504 HB3 ASP 67 HB1 ASP 67 69.793 -0.701 -13.946 505 H GLY 68 HN GLY 68 73.629 -1.722 -12.476 506 HA2 GLY 68 HA2 GLY 68 75.978 -1.784 -12.819 507 HA3 GLY 68 HA1 GLY 68 75.701 -1.688 -14.554 508 H SER 69 HN SER 69 74.515 0.527 -12.013 509 HA SER 69 HA SER 69 75.885 2.748 -13.487 510 HB2 SER 69 HB2 SER 69 74.172 4.151 -12.604 511 HB3 SER 69 HB1 SER 69 73.350 2.664 -13.060 512 HG SER 69 HG SER 69 73.657 3.821 -10.618 513 H GLY 70 HN GLY 70 75.778 1.053 -10.416 514 HA2 GLY 70 HA2 GLY 70 77.566 1.107 -8.809 515 HA3 GLY 70 HA1 GLY 70 78.106 2.639 -9.497 516 H THR 71 HN THR 71 75.150 3.537 -9.399 517 HA THR 71 HA THR 71 75.205 4.393 -6.538 518 HB THR 71 HB THR 71 73.758 6.246 -7.459 519 HG1 THR 71 HG1 THR 71 73.232 6.238 -9.529 520 HG21 THR 71 HG21 THR 71 76.306 6.005 -9.053 521 HG22 THR 71 HG22 THR 71 76.329 6.279 -7.311 522 HG23 THR 71 HG23 THR 71 75.567 7.457 -8.381 523 H VAL 72 HN VAL 72 73.380 4.060 -5.238 524 HA VAL 72 HA VAL 72 71.454 2.020 -6.088 525 HB VAL 72 HB VAL 72 71.918 3.670 -3.595 526 HG11 VAL 72 HG11 VAL 72 69.816 1.588 -4.193 527 HG12 VAL 72 HG12 VAL 72 69.601 3.191 -3.491 528 HG13 VAL 72 HG13 VAL 72 70.367 1.912 -2.548 529 HG21 VAL 72 HG21 VAL 72 72.960 1.189 -4.680 530 HG22 VAL 72 HG22 VAL 72 72.187 0.914 -3.117 531 HG23 VAL 72 HG23 VAL 72 73.488 2.093 -3.263 532 H ASP 73 HN ASP 73 69.297 2.336 -6.579 533 HA ASP 73 HA ASP 73 68.300 5.163 -6.664 534 HB2 ASP 73 HB2 ASP 73 66.786 4.085 -8.508 535 HB3 ASP 73 HB1 ASP 73 68.469 4.429 -8.895 536 H PHE 74 HN PHE 74 65.607 4.692 -7.030 537 HA PHE 74 HA PHE 74 64.659 4.110 -4.396 538 HB2 PHE 74 HB2 PHE 74 63.697 5.178 -6.801 539 HB3 PHE 74 HB1 PHE 74 62.688 3.760 -6.524 540 HD1 PHE 74 HD2 PHE 74 62.235 3.516 -3.761 541 HD2 PHE 74 HD1 PHE 74 62.724 7.135 -6.018 542 HE1 PHE 74 HE2 PHE 74 60.971 4.768 -2.032 543 HE2 PHE 74 HE1 PHE 74 61.458 8.381 -4.290 544 HZ PHE 74 HZ PHE 74 60.578 7.201 -2.304 545 H ASP 75 HN ASP 75 64.956 2.059 -7.280 546 HA ASP 75 HA ASP 75 63.397 -0.144 -6.190 547 HB2 ASP 75 HB2 ASP 75 64.892 0.573 -8.609 548 HB3 ASP 75 HB1 ASP 75 65.051 -1.136 -8.196 549 H GLU 76 HN GLU 76 66.907 0.328 -6.744 550 HA GLU 76 HA GLU 76 67.829 -2.071 -5.535 551 HB2 GLU 76 HB2 GLU 76 68.851 0.563 -6.345 552 HB3 GLU 76 HB1 GLU 76 69.762 -0.146 -5.014 553 HG2 GLU 76 HG2 GLU 76 70.499 -1.928 -6.283 554 HG3 GLU 76 HG1 GLU 76 69.060 -1.929 -7.304 555 H PHE 77 HN PHE 77 67.173 1.122 -4.049 556 HA PHE 77 HA PHE 77 68.096 0.488 -1.411 557 HB2 PHE 77 HB2 PHE 77 67.598 2.749 -2.370 558 HB3 PHE 77 HB1 PHE 77 65.882 2.363 -2.319 559 HD1 PHE 77 HD1 PHE 77 68.695 1.763 0.116 560 HD2 PHE 77 HD2 PHE 77 64.865 3.578 -0.609 561 HE1 PHE 77 HE1 PHE 77 68.586 2.491 2.484 562 HE2 PHE 77 HE2 PHE 77 64.760 4.301 1.755 563 HZ PHE 77 HZ PHE 77 66.622 3.761 3.300 564 H LEU 78 HN LEU 78 64.789 0.321 -2.832 565 HA LEU 78 HA LEU 78 63.435 -0.643 -0.507 566 HB2 LEU 78 HB2 LEU 78 63.016 -0.462 -3.431 567 HB3 LEU 78 HB1 LEU 78 62.089 -1.740 -2.642 568 HG LEU 78 HG LEU 78 62.155 1.096 -1.587 569 HD11 LEU 78 HD11 LEU 78 61.195 1.321 -3.764 570 HD12 LEU 78 HD12 LEU 78 59.830 1.211 -2.658 571 HD13 LEU 78 HD13 LEU 78 60.307 -0.197 -3.609 572 HD21 LEU 78 HD21 LEU 78 60.874 -1.457 -0.859 573 HD22 LEU 78 HD22 LEU 78 59.756 -0.094 -0.923 574 HD23 LEU 78 HD23 LEU 78 61.169 -0.027 0.130 575 H VAL 79 HN VAL 79 65.070 -2.412 -3.150 576 HA VAL 79 HA VAL 79 64.438 -5.053 -2.099 577 HB VAL 79 HB VAL 79 66.419 -3.943 -4.114 578 HG11 VAL 79 HG11 VAL 79 66.205 -6.581 -4.750 579 HG12 VAL 79 HG12 VAL 79 66.117 -6.676 -2.992 580 HG13 VAL 79 HG13 VAL 79 67.513 -5.926 -3.767 581 HG21 VAL 79 HG21 VAL 79 64.853 -4.624 -5.744 582 HG22 VAL 79 HG22 VAL 79 63.840 -3.963 -4.461 583 HG23 VAL 79 HG23 VAL 79 64.028 -5.709 -4.625 584 H MET 80 HN MET 80 66.911 -2.665 -1.435 585 HA MET 80 HA MET 80 68.776 -4.565 -0.173 586 HB2 MET 80 HB2 MET 80 69.685 -2.673 -1.337 587 HB3 MET 80 HB1 MET 80 68.605 -1.554 -0.503 588 HG2 MET 80 HG2 MET 80 69.761 -1.810 1.559 589 HG3 MET 80 HG1 MET 80 70.621 -3.239 0.989 590 HE1 MET 80 HE1 MET 80 71.176 0.504 1.697 591 HE2 MET 80 HE2 MET 80 72.873 0.043 1.643 592 HE3 MET 80 HE3 MET 80 71.715 -0.996 2.470 593 H MET 81 HN MET 81 66.422 -2.078 0.878 594 HA MET 81 HA MET 81 67.009 -2.119 3.667 595 HB2 MET 81 HB2 MET 81 64.541 -1.549 2.011 596 HB3 MET 81 HB1 MET 81 64.514 -1.400 3.765 597 HG2 MET 81 HG2 MET 81 66.185 0.159 1.787 598 HG3 MET 81 HG1 MET 81 65.045 0.782 2.974 599 HE1 MET 81 HE1 MET 81 66.832 1.324 6.070 600 HE2 MET 81 HE2 MET 81 65.290 0.973 5.300 601 HE3 MET 81 HE3 MET 81 66.282 2.302 4.704 602 H VAL 82 HN VAL 82 64.725 -4.158 1.777 603 HA VAL 82 HA VAL 82 63.674 -5.614 4.018 604 HB VAL 82 HB VAL 82 63.108 -7.314 2.247 605 HG11 VAL 82 HG11 VAL 82 61.432 -5.730 2.423 606 HG12 VAL 82 HG12 VAL 82 61.919 -5.484 0.746 607 HG13 VAL 82 HG13 VAL 82 62.501 -4.394 2.003 608 HG21 VAL 82 HG21 VAL 82 63.925 -7.201 0.090 609 HG22 VAL 82 HG22 VAL 82 65.317 -6.533 0.941 610 HG23 VAL 82 HG23 VAL 82 64.164 -5.456 0.156 611 H ARG 83 HN ARG 83 66.710 -5.889 2.270 612 HA ARG 83 HA ARG 83 67.357 -8.548 3.370 613 HB2 ARG 83 HB2 ARG 83 68.396 -6.624 1.401 614 HB3 ARG 83 HB1 ARG 83 69.661 -7.452 2.302 615 HG2 ARG 83 HG2 ARG 83 68.885 -9.602 1.618 616 HG3 ARG 83 HG1 ARG 83 67.367 -8.942 1.013 617 HD2 ARG 83 HD2 ARG 83 68.554 -7.756 -0.782 618 HD3 ARG 83 HD1 ARG 83 70.113 -8.323 -0.149 619 HE ARG 83 HE ARG 83 68.090 -10.001 -1.515 620 HH11 ARG 83 HH11 ARG 83 71.117 -9.876 -2.026 621 HH12 ARG 83 HH12 ARG 83 71.611 -11.408 -1.385 622 HH21 ARG 83 HH21 ARG 83 68.651 -11.936 0.334 623 HH22 ARG 83 HH22 ARG 83 70.215 -12.570 -0.042 624 H SER 84 HN SER 84 67.970 -5.172 4.175 625 HA SER 84 HA SER 84 70.076 -5.876 6.133 626 HB2 SER 84 HB2 SER 84 70.271 -3.439 6.316 627 HB3 SER 84 HB1 SER 84 70.227 -3.908 4.620 628 HG SER 84 HG SER 84 68.532 -2.339 6.027 629 H MET 85 HN MET 85 66.660 -4.873 6.099 630 HA MET 85 HA MET 85 66.460 -4.162 8.872 631 HB2 MET 85 HB2 MET 85 64.085 -4.248 8.447 632 HB3 MET 85 HB1 MET 85 64.858 -3.649 6.984 633 HG2 MET 85 HG2 MET 85 64.619 -5.756 5.880 634 HG3 MET 85 HG1 MET 85 64.211 -6.578 7.384 635 HE1 MET 85 HE1 MET 85 62.374 -4.198 4.422 636 HE2 MET 85 HE2 MET 85 63.577 -3.523 5.518 637 HE3 MET 85 HE3 MET 85 61.877 -3.108 5.723 638 H LYS 86 HN LYS 86 66.449 -7.302 7.249 639 HA LYS 86 HA LYS 86 66.087 -8.598 9.930 640 HB2 LYS 86 HB2 LYS 86 64.830 -10.380 8.701 641 HB3 LYS 86 HB1 LYS 86 64.049 -8.805 8.597 642 HG2 LYS 86 HG2 LYS 86 64.478 -8.589 6.348 643 HG3 LYS 86 HG1 LYS 86 66.004 -9.464 6.447 644 HD2 LYS 86 HD2 LYS 86 64.410 -11.504 7.028 645 HD3 LYS 86 HD1 LYS 86 63.218 -10.532 6.170 646 HE2 LYS 86 HE2 LYS 86 65.618 -10.470 4.620 647 HE3 LYS 86 HE1 LYS 86 65.303 -12.160 5.048 648 HZ1 LYS 86 HZ1 LYS 86 63.058 -11.959 4.284 649 HZ2 LYS 86 HZ2 LYS 86 64.074 -11.404 3.044 650 HZ3 LYS 86 HZ3 LYS 86 63.233 -10.290 4.012 651 H ASP 87 HN ASP 87 68.638 -8.153 9.321 652 HA ASP 87 HA ASP 87 69.747 -10.384 7.714 653 HB2 ASP 87 HB2 ASP 87 70.603 -8.078 7.502 654 HB3 ASP 87 HB1 ASP 87 71.006 -8.065 9.219 655 H ASP 88 HN ASP 88 70.935 -9.087 10.832 656 HA ASP 88 HA ASP 88 70.513 -11.692 12.173 657 HB2 ASP 88 HB2 ASP 88 72.762 -11.313 10.665 658 HB3 ASP 88 HB1 ASP 88 73.315 -10.724 12.232 659 H SER 89 HN SER 89 71.609 -11.536 14.468 660 HA SER 89 HA SER 89 71.355 -8.732 15.505 661 HB2 SER 89 HB2 SER 89 69.617 -10.842 15.892 662 HB3 SER 89 HB1 SER 89 70.642 -10.935 17.322 663 HG SER 89 HG SER 89 68.679 -9.441 17.239 Start of MODEL 6 1 H1 MET 1 HT1 MET 1 57.116 -18.098 -9.593 2 H2 MET 1 HT2 MET 1 56.183 -16.960 -8.751 3 H3 MET 1 HT3 MET 1 57.674 -17.468 -8.115 4 HA MET 1 HA MET 1 58.852 -16.428 -9.964 5 HB2 MET 1 HB2 MET 1 56.052 -16.382 -10.891 6 HB3 MET 1 HB1 MET 1 56.911 -14.869 -11.180 7 HG2 MET 1 HG2 MET 1 57.726 -15.886 -13.032 8 HG3 MET 1 HG1 MET 1 58.780 -16.763 -11.923 9 HE1 MET 1 HE1 MET 1 59.280 -18.562 -12.590 10 HE2 MET 1 HE2 MET 1 58.389 -19.854 -13.393 11 HE3 MET 1 HE3 MET 1 58.371 -19.739 -11.633 12 H ASP 2 HN ASP 2 59.768 -15.056 -8.449 13 HA ASP 2 HA ASP 2 60.029 -13.200 -7.020 14 HB2 ASP 2 HB2 ASP 2 57.817 -12.189 -8.836 15 HB3 ASP 2 HB1 ASP 2 58.905 -11.182 -7.881 16 H ASP 3 HN ASP 3 58.067 -15.285 -6.198 17 HA ASP 3 HA ASP 3 55.891 -13.765 -4.884 18 HB2 ASP 3 HB2 ASP 3 55.197 -16.086 -4.202 19 HB3 ASP 3 HB1 ASP 3 55.376 -15.899 -5.945 20 H ILE 4 HN ILE 4 58.808 -15.626 -3.986 21 HA ILE 4 HA ILE 4 58.476 -15.537 -1.157 22 HB ILE 4 HB ILE 4 60.034 -16.991 -2.411 23 HG12 ILE 4 HG12 ILE 4 62.096 -16.510 -0.983 24 HG13 ILE 4 HG11 ILE 4 61.211 -15.122 -0.357 25 HG21 ILE 4 HG21 ILE 4 61.793 -14.557 -2.788 26 HG22 ILE 4 HG22 ILE 4 60.709 -15.143 -4.050 27 HG23 ILE 4 HG23 ILE 4 62.013 -16.171 -3.462 28 HD11 ILE 4 HD11 ILE 4 61.022 -17.311 0.978 29 HD12 ILE 4 HD12 ILE 4 60.025 -17.899 -0.349 30 HD13 ILE 4 HD13 ILE 4 59.512 -16.491 0.583 31 H TYR 5 HN TYR 5 59.773 -13.160 -3.435 32 HA TYR 5 HA TYR 5 60.706 -11.384 -1.267 33 HB2 TYR 5 HB2 TYR 5 61.168 -11.805 -4.079 34 HB3 TYR 5 HB1 TYR 5 60.715 -10.121 -3.820 35 HD1 TYR 5 HD1 TYR 5 62.664 -12.633 -1.813 36 HD2 TYR 5 HD2 TYR 5 62.598 -8.762 -3.671 37 HE1 TYR 5 HE1 TYR 5 64.926 -12.163 -0.908 38 HE2 TYR 5 HE2 TYR 5 64.860 -8.291 -2.768 39 HH TYR 5 HH TYR 5 66.945 -10.171 -1.940 40 H LYS 6 HN LYS 6 58.128 -11.441 -3.753 41 HA LYS 6 HA LYS 6 57.000 -8.868 -3.208 42 HB2 LYS 6 HB2 LYS 6 56.600 -10.394 -5.178 43 HB3 LYS 6 HB1 LYS 6 55.597 -11.398 -4.131 44 HG2 LYS 6 HG2 LYS 6 54.539 -8.927 -3.640 45 HG3 LYS 6 HG1 LYS 6 55.026 -8.747 -5.326 46 HD2 LYS 6 HD2 LYS 6 52.878 -9.629 -5.554 47 HD3 LYS 6 HD1 LYS 6 53.864 -11.092 -5.612 48 HE2 LYS 6 HE2 LYS 6 53.364 -11.655 -3.347 49 HE3 LYS 6 HE1 LYS 6 52.715 -10.040 -3.007 50 HZ1 LYS 6 HZ1 LYS 6 50.813 -10.448 -4.157 51 HZ2 LYS 6 HZ2 LYS 6 51.143 -12.038 -3.656 52 HZ3 LYS 6 HZ3 LYS 6 51.541 -11.543 -5.229 53 H ALA 7 HN ALA 7 56.623 -11.976 -1.570 54 HA ALA 7 HA ALA 7 54.240 -11.610 -0.110 55 HB1 ALA 7 HB1 ALA 7 55.258 -13.689 0.104 56 HB2 ALA 7 HB2 ALA 7 55.727 -12.959 1.641 57 HB3 ALA 7 HB3 ALA 7 56.866 -12.992 0.296 58 H ALA 8 HN ALA 8 57.458 -10.223 0.495 59 HA ALA 8 HA ALA 8 56.511 -8.943 3.012 60 HB1 ALA 8 HB1 ALA 8 59.223 -8.721 1.680 61 HB2 ALA 8 HB2 ALA 8 58.769 -10.147 2.614 62 HB3 ALA 8 HB3 ALA 8 58.836 -8.566 3.395 63 H VAL 9 HN VAL 9 58.039 -7.965 -0.077 64 HA VAL 9 HA VAL 9 57.883 -5.157 0.207 65 HB VAL 9 HB VAL 9 57.616 -6.944 -2.233 66 HG11 VAL 9 HG11 VAL 9 58.380 -5.012 -3.518 67 HG12 VAL 9 HG12 VAL 9 58.478 -4.043 -2.048 68 HG13 VAL 9 HG13 VAL 9 56.909 -4.578 -2.642 69 HG21 VAL 9 HG21 VAL 9 60.042 -5.542 -1.080 70 HG22 VAL 9 HG22 VAL 9 60.015 -6.717 -2.396 71 HG23 VAL 9 HG23 VAL 9 59.644 -7.230 -0.750 72 H GLU 10 HN GLU 10 55.432 -7.348 -1.227 73 HA GLU 10 HA GLU 10 53.529 -5.248 -1.834 74 HB2 GLU 10 HB2 GLU 10 53.747 -7.514 -2.902 75 HB3 GLU 10 HB1 GLU 10 53.124 -8.222 -1.411 76 HG2 GLU 10 HG2 GLU 10 51.338 -6.139 -2.083 77 HG3 GLU 10 HG1 GLU 10 51.655 -7.013 -3.582 78 H GLN 11 HN GLN 11 53.844 -7.550 0.882 79 HA GLN 11 HA GLN 11 51.383 -6.659 2.171 80 HB2 GLN 11 HB2 GLN 11 53.676 -8.500 2.775 81 HB3 GLN 11 HB1 GLN 11 52.502 -8.122 4.036 82 HG2 GLN 11 HG2 GLN 11 51.296 -8.786 1.427 83 HG3 GLN 11 HG1 GLN 11 52.180 -10.120 2.163 84 HE21 GLN 11 HE21 GLN 11 49.549 -7.777 2.771 85 HE22 GLN 11 HE22 GLN 11 48.781 -8.702 3.968 86 H LEU 12 HN LEU 12 54.552 -5.347 2.062 87 HA LEU 12 HA LEU 12 55.011 -4.363 4.666 88 HB2 LEU 12 HB2 LEU 12 55.703 -3.700 1.867 89 HB3 LEU 12 HB1 LEU 12 55.897 -2.368 3.003 90 HG LEU 12 HG LEU 12 57.082 -5.144 3.336 91 HD11 LEU 12 HD11 LEU 12 59.215 -3.530 3.158 92 HD12 LEU 12 HD12 LEU 12 58.096 -2.581 2.179 93 HD13 LEU 12 HD13 LEU 12 58.471 -4.245 1.727 94 HD21 LEU 12 HD21 LEU 12 58.434 -3.540 5.049 95 HD22 LEU 12 HD22 LEU 12 57.000 -4.453 5.515 96 HD23 LEU 12 HD23 LEU 12 56.858 -2.749 5.085 97 H THR 13 HN THR 13 54.086 -2.690 5.872 98 HA THR 13 HA THR 13 51.498 -1.654 5.130 99 HB THR 13 HB THR 13 51.935 -0.216 7.210 100 HG1 THR 13 HG1 THR 13 53.800 -0.578 8.288 101 HG21 THR 13 HG21 THR 13 50.758 -2.154 7.684 102 HG22 THR 13 HG22 THR 13 52.217 -2.421 8.639 103 HG23 THR 13 HG23 THR 13 52.031 -3.205 7.069 104 H GLU 14 HN GLU 14 50.886 0.421 4.473 105 HA GLU 14 HA GLU 14 52.516 1.878 2.664 106 HB2 GLU 14 HB2 GLU 14 50.099 1.983 2.671 107 HB3 GLU 14 HB1 GLU 14 50.078 2.613 4.316 108 HG2 GLU 14 HG2 GLU 14 51.705 4.412 2.919 109 HG3 GLU 14 HG1 GLU 14 50.403 4.041 1.790 110 H GLU 15 HN GLU 15 51.954 2.418 6.155 111 HA GLU 15 HA GLU 15 53.246 4.921 6.461 112 HB2 GLU 15 HB2 GLU 15 53.531 4.176 8.804 113 HB3 GLU 15 HB1 GLU 15 51.942 3.719 8.196 114 HG2 GLU 15 HG2 GLU 15 52.941 1.449 7.622 115 HG3 GLU 15 HG1 GLU 15 54.373 1.942 8.522 116 H GLN 16 HN GLN 16 54.663 1.642 6.289 117 HA GLN 16 HA GLN 16 57.397 2.586 6.786 118 HB2 GLN 16 HB2 GLN 16 56.198 -0.011 5.760 119 HB3 GLN 16 HB1 GLN 16 57.910 0.206 6.136 120 HG2 GLN 16 HG2 GLN 16 56.171 1.124 8.301 121 HG3 GLN 16 HG1 GLN 16 55.945 -0.583 7.934 122 HE21 GLN 16 HE21 GLN 16 58.590 1.791 8.584 123 HE22 GLN 16 HE22 GLN 16 59.621 0.656 9.309 124 H LYS 17 HN LYS 17 55.453 1.617 3.957 125 HA LYS 17 HA LYS 17 57.514 1.760 1.973 126 HB2 LYS 17 HB2 LYS 17 54.527 1.895 2.082 127 HB3 LYS 17 HB1 LYS 17 55.293 2.463 0.596 128 HG2 LYS 17 HG2 LYS 17 56.335 0.370 0.192 129 HG3 LYS 17 HG1 LYS 17 56.037 -0.189 1.837 130 HD2 LYS 17 HD2 LYS 17 53.665 -0.374 1.427 131 HD3 LYS 17 HD1 LYS 17 53.821 0.429 -0.136 132 HE2 LYS 17 HE2 LYS 17 54.518 -1.482 -1.181 133 HE3 LYS 17 HE1 LYS 17 55.541 -1.961 0.189 134 HZ1 LYS 17 HZ1 LYS 17 53.808 -3.473 0.307 135 HZ2 LYS 17 HZ2 LYS 17 52.635 -2.344 -0.168 136 HZ3 LYS 17 HZ3 LYS 17 53.300 -2.277 1.396 137 H ASN 18 HN ASN 18 55.345 4.277 3.297 138 HA ASN 18 HA ASN 18 56.197 6.395 1.548 139 HB2 ASN 18 HB2 ASN 18 54.458 7.336 2.635 140 HB3 ASN 18 HB1 ASN 18 54.402 5.957 3.724 141 HD21 ASN 18 HD21 ASN 18 55.330 6.226 5.867 142 HD22 ASN 18 HD22 ASN 18 55.859 7.734 6.433 143 H GLU 19 HN GLU 19 57.460 5.179 4.645 144 HA GLU 19 HA GLU 19 59.295 7.288 5.227 145 HB2 GLU 19 HB2 GLU 19 59.179 4.319 5.792 146 HB3 GLU 19 HB1 GLU 19 60.502 5.316 6.401 147 HG2 GLU 19 HG2 GLU 19 58.800 6.834 7.451 148 HG3 GLU 19 HG1 GLU 19 57.543 5.699 6.961 149 H PHE 20 HN PHE 20 59.672 4.351 3.190 150 HA PHE 20 HA PHE 20 62.433 4.583 2.562 151 HB2 PHE 20 HB2 PHE 20 59.989 3.525 1.144 152 HB3 PHE 20 HB1 PHE 20 61.556 3.499 0.339 153 HD1 PHE 20 HD2 PHE 20 63.522 2.780 2.174 154 HD2 PHE 20 HD1 PHE 20 59.426 1.500 2.117 155 HE1 PHE 20 HE2 PHE 20 64.145 0.739 3.439 156 HE2 PHE 20 HE1 PHE 20 60.041 -0.542 3.379 157 HZ PHE 20 HZ PHE 20 62.404 -0.926 4.043 158 H LYS 21 HN LYS 21 59.607 6.202 1.098 159 HA LYS 21 HA LYS 21 61.242 7.606 -0.896 160 HB2 LYS 21 HB2 LYS 21 58.818 6.803 -1.098 161 HB3 LYS 21 HB1 LYS 21 58.388 8.137 -0.029 162 HG2 LYS 21 HG2 LYS 21 60.113 8.842 -2.340 163 HG3 LYS 21 HG1 LYS 21 58.459 8.370 -2.732 164 HD2 LYS 21 HD2 LYS 21 57.745 9.998 -0.868 165 HD3 LYS 21 HD1 LYS 21 59.388 10.631 -0.963 166 HE2 LYS 21 HE2 LYS 21 57.786 10.322 -3.497 167 HE3 LYS 21 HE1 LYS 21 57.523 11.733 -2.455 168 HZ1 LYS 21 HZ1 LYS 21 59.979 12.032 -2.423 169 HZ2 LYS 21 HZ2 LYS 21 59.291 12.261 -3.961 170 HZ3 LYS 21 HZ3 LYS 21 60.112 10.818 -3.602 171 H ALA 22 HN ALA 22 59.636 8.385 2.180 172 HA ALA 22 HA ALA 22 60.070 11.193 2.243 173 HB1 ALA 22 HB1 ALA 22 60.146 9.228 4.555 174 HB2 ALA 22 HB2 ALA 22 58.660 9.731 3.751 175 HB3 ALA 22 HB3 ALA 22 59.638 10.918 4.616 176 H ALA 23 HN ALA 23 62.240 8.501 3.087 177 HA ALA 23 HA ALA 23 64.329 10.297 4.123 178 HB1 ALA 23 HB1 ALA 23 64.698 8.322 5.170 179 HB2 ALA 23 HB2 ALA 23 65.381 7.743 3.652 180 HB3 ALA 23 HB3 ALA 23 63.679 7.456 4.018 181 H PHE 24 HN PHE 24 63.654 8.523 1.107 182 HA PHE 24 HA PHE 24 66.188 8.784 -0.146 183 HB2 PHE 24 HB2 PHE 24 63.605 7.847 -0.758 184 HB3 PHE 24 HB1 PHE 24 63.968 9.047 -2.000 185 HD1 PHE 24 HD1 PHE 24 65.930 8.800 -3.464 186 HD2 PHE 24 HD2 PHE 24 64.917 5.809 -0.558 187 HE1 PHE 24 HE1 PHE 24 67.493 7.213 -4.552 188 HE2 PHE 24 HE2 PHE 24 66.478 4.220 -1.648 189 HZ PHE 24 HZ PHE 24 67.767 4.923 -3.645 190 H ASP 25 HN ASP 25 63.434 11.054 -0.095 191 HA ASP 25 HA ASP 25 64.275 12.980 -1.958 192 HB2 ASP 25 HB2 ASP 25 62.748 12.995 0.629 193 HB3 ASP 25 HB1 ASP 25 63.094 14.529 -0.167 194 H ILE 26 HN ILE 26 65.498 12.496 1.368 195 HA ILE 26 HA ILE 26 66.851 14.955 1.744 196 HB ILE 26 HB ILE 26 67.330 12.113 2.660 197 HG12 ILE 26 HG12 ILE 26 66.715 14.419 4.453 198 HG13 ILE 26 HG11 ILE 26 65.433 13.884 3.371 199 HG21 ILE 26 HG21 ILE 26 69.529 13.264 2.631 200 HG22 ILE 26 HG22 ILE 26 68.972 12.978 4.278 201 HG23 ILE 26 HG23 ILE 26 68.842 14.589 3.570 202 HD11 ILE 26 HD11 ILE 26 66.895 12.228 5.443 203 HD12 ILE 26 HD12 ILE 26 65.829 11.530 4.223 204 HD13 ILE 26 HD13 ILE 26 65.184 12.651 5.422 205 H PHE 27 HN PHE 27 67.990 12.025 0.027 206 HA PHE 27 HA PHE 27 70.484 13.486 -0.716 207 HB2 PHE 27 HB2 PHE 27 70.346 10.799 -1.778 208 HB3 PHE 27 HB1 PHE 27 71.465 11.461 -0.594 209 HD1 PHE 27 HD1 PHE 27 70.495 11.724 1.858 210 HD2 PHE 27 HD2 PHE 27 68.862 9.102 -1.126 211 HE1 PHE 27 HE1 PHE 27 69.405 10.377 3.635 212 HE2 PHE 27 HE2 PHE 27 67.774 7.757 0.650 213 HZ PHE 27 HZ PHE 27 68.048 8.398 3.031 214 H VAL 28 HN VAL 28 67.450 12.477 -2.086 215 HA VAL 28 HA VAL 28 68.176 12.394 -4.860 216 HB VAL 28 HB VAL 28 65.662 12.965 -3.282 217 HG11 VAL 28 HG11 VAL 28 65.169 14.182 -5.235 218 HG12 VAL 28 HG12 VAL 28 64.559 12.573 -5.621 219 HG13 VAL 28 HG13 VAL 28 66.116 13.103 -6.259 220 HG21 VAL 28 HG21 VAL 28 65.073 10.753 -3.913 221 HG22 VAL 28 HG22 VAL 28 66.788 10.656 -3.508 222 HG23 VAL 28 HG23 VAL 28 66.280 10.712 -5.195 223 H GLN 29 HN GLN 29 67.370 15.094 -2.683 224 HA GLN 29 HA GLN 29 66.988 17.174 -4.591 225 HB2 GLN 29 HB2 GLN 29 68.027 17.012 -1.761 226 HB3 GLN 29 HB1 GLN 29 67.950 18.561 -2.597 227 HG2 GLN 29 HG2 GLN 29 65.470 17.751 -3.143 228 HG3 GLN 29 HG1 GLN 29 65.722 16.784 -1.689 229 HE21 GLN 29 HE21 GLN 29 65.161 20.029 -2.859 230 HE22 GLN 29 HE22 GLN 29 65.177 20.786 -1.342 231 H GLY 30 HN GLY 30 69.979 15.796 -3.236 232 HA2 GLY 30 HA2 GLY 30 71.594 17.659 -4.906 233 HA3 GLY 30 HA1 GLY 30 72.221 16.677 -3.582 234 H ALA 31 HN ALA 31 70.086 15.451 -6.137 235 HA ALA 31 HA ALA 31 72.389 13.965 -7.346 236 HB1 ALA 31 HB1 ALA 31 70.909 11.941 -7.262 237 HB2 ALA 31 HB2 ALA 31 69.738 12.886 -6.339 238 HB3 ALA 31 HB3 ALA 31 71.330 12.553 -5.661 239 H GLU 32 HN GLU 32 72.349 14.508 -9.496 240 HA GLU 32 HA GLU 32 70.165 15.720 -10.876 241 HB2 GLU 32 HB2 GLU 32 71.607 15.601 -12.745 242 HB3 GLU 32 HB1 GLU 32 72.707 15.622 -11.373 243 HG2 GLU 32 HG2 GLU 32 71.760 13.007 -12.545 244 HG3 GLU 32 HG1 GLU 32 73.107 13.881 -13.262 245 H ASP 33 HN ASP 33 70.984 12.295 -10.434 246 HA ASP 33 HA ASP 33 68.756 11.514 -12.273 247 HB2 ASP 33 HB2 ASP 33 71.386 10.552 -11.628 248 HB3 ASP 33 HB1 ASP 33 70.213 9.290 -11.252 249 H GLY 34 HN GLY 34 69.760 11.458 -8.892 250 HA2 GLY 34 HA2 GLY 34 68.117 11.300 -7.095 251 HA3 GLY 34 HA1 GLY 34 67.094 10.329 -8.158 252 H SER 35 HN SER 35 70.557 10.023 -7.360 253 HA SER 35 HA SER 35 69.974 7.325 -6.195 254 HB2 SER 35 HB2 SER 35 70.872 7.594 -8.665 255 HB3 SER 35 HB1 SER 35 72.415 7.871 -7.861 256 HG SER 35 HG SER 35 70.815 5.580 -7.983 257 H ILE 36 HN ILE 36 71.725 6.567 -4.744 258 HA ILE 36 HA ILE 36 73.141 8.870 -3.432 259 HB ILE 36 HB ILE 36 72.340 6.186 -2.266 260 HG12 ILE 36 HG12 ILE 36 70.805 8.687 -1.666 261 HG13 ILE 36 HG11 ILE 36 70.468 7.871 -3.190 262 HG21 ILE 36 HG21 ILE 36 73.742 7.015 -0.667 263 HG22 ILE 36 HG22 ILE 36 72.356 8.019 -0.239 264 HG23 ILE 36 HG23 ILE 36 73.626 8.662 -1.283 265 HD11 ILE 36 HD11 ILE 36 68.991 7.040 -1.393 266 HD12 ILE 36 HD12 ILE 36 70.407 6.565 -0.455 267 HD13 ILE 36 HD13 ILE 36 70.053 5.768 -1.986 268 H SER 37 HN SER 37 75.373 8.750 -3.290 269 HA SER 37 HA SER 37 76.792 6.579 -4.640 270 HB2 SER 37 HB2 SER 37 77.366 9.081 -4.506 271 HB3 SER 37 HB1 SER 37 77.942 8.751 -2.875 272 HG SER 37 HG SER 37 79.672 8.491 -4.231 273 H THR 38 HN THR 38 78.610 5.393 -3.494 274 HA THR 38 HA THR 38 77.679 3.911 -1.238 275 HB THR 38 HB THR 38 80.020 3.063 -1.207 276 HG1 THR 38 HG1 THR 38 81.422 4.562 -1.661 277 HG21 THR 38 HG21 THR 38 78.264 2.518 -3.059 278 HG22 THR 38 HG22 THR 38 79.946 2.057 -3.330 279 HG23 THR 38 HG23 THR 38 79.294 3.506 -4.097 280 H LYS 39 HN LYS 39 79.826 6.756 -1.424 281 HA LYS 39 HA LYS 39 80.612 6.846 1.331 282 HB2 LYS 39 HB2 LYS 39 81.290 8.161 -0.880 283 HB3 LYS 39 HB1 LYS 39 80.107 9.321 -0.284 284 HG2 LYS 39 HG2 LYS 39 81.549 8.789 1.996 285 HG3 LYS 39 HG1 LYS 39 82.792 8.679 0.748 286 HD2 LYS 39 HD2 LYS 39 80.863 10.968 0.665 287 HD3 LYS 39 HD1 LYS 39 82.197 11.020 1.822 288 HE2 LYS 39 HE2 LYS 39 83.828 11.048 0.133 289 HE3 LYS 39 HE1 LYS 39 82.731 10.340 -1.069 290 HZ1 LYS 39 HZ1 LYS 39 82.777 12.629 -1.548 291 HZ2 LYS 39 HZ2 LYS 39 82.654 13.070 0.086 292 HZ3 LYS 39 HZ3 LYS 39 81.319 12.391 -0.718 293 H GLU 40 HN GLU 40 77.696 8.052 -0.340 294 HA GLU 40 HA GLU 40 76.669 9.397 2.081 295 HB2 GLU 40 HB2 GLU 40 75.583 8.819 -0.696 296 HB3 GLU 40 HB1 GLU 40 74.656 9.675 0.531 297 HG2 GLU 40 HG2 GLU 40 75.713 11.597 0.026 298 HG3 GLU 40 HG1 GLU 40 77.274 10.851 0.368 299 H LEU 41 HN LEU 41 76.325 6.295 0.432 300 HA LEU 41 HA LEU 41 73.856 5.424 1.510 301 HB2 LEU 41 HB2 LEU 41 75.822 4.429 -0.136 302 HB3 LEU 41 HB1 LEU 41 75.946 3.373 1.270 303 HG LEU 41 HG LEU 41 74.318 2.455 -0.326 304 HD11 LEU 41 HD11 LEU 41 72.878 3.648 2.058 305 HD12 LEU 41 HD12 LEU 41 73.946 2.250 2.159 306 HD13 LEU 41 HD13 LEU 41 72.466 2.162 1.203 307 HD21 LEU 41 HD21 LEU 41 73.654 5.182 -0.678 308 HD22 LEU 41 HD22 LEU 41 72.222 4.423 0.014 309 HD23 LEU 41 HD23 LEU 41 72.920 3.797 -1.480 310 H GLY 42 HN GLY 42 77.117 5.304 2.918 311 HA2 GLY 42 HA2 GLY 42 76.607 3.647 5.149 312 HA3 GLY 42 HA1 GLY 42 77.802 4.949 5.141 313 H LYS 43 HN LYS 43 76.109 7.187 4.809 314 HA LYS 43 HA LYS 43 75.076 7.525 7.513 315 HB2 LYS 43 HB2 LYS 43 75.638 9.109 5.121 316 HB3 LYS 43 HB1 LYS 43 74.122 9.602 5.874 317 HG2 LYS 43 HG2 LYS 43 75.144 10.247 7.854 318 HG3 LYS 43 HG1 LYS 43 76.496 9.140 7.640 319 HD2 LYS 43 HD2 LYS 43 77.447 10.556 5.901 320 HD3 LYS 43 HD1 LYS 43 76.041 11.620 5.949 321 HE2 LYS 43 HE2 LYS 43 77.475 11.150 8.534 322 HE3 LYS 43 HE1 LYS 43 78.260 12.201 7.343 323 HZ1 LYS 43 HZ1 LYS 43 76.574 13.273 8.914 324 HZ2 LYS 43 HZ2 LYS 43 75.385 12.485 7.992 325 HZ3 LYS 43 HZ3 LYS 43 76.421 13.613 7.260 326 H VAL 44 HN VAL 44 73.605 6.963 4.315 327 HA VAL 44 HA VAL 44 70.858 7.393 4.937 328 HB VAL 44 HB VAL 44 72.404 5.663 3.000 329 HG11 VAL 44 HG11 VAL 44 70.082 5.382 1.864 330 HG12 VAL 44 HG12 VAL 44 69.423 5.714 3.466 331 HG13 VAL 44 HG13 VAL 44 70.473 4.315 3.217 332 HG21 VAL 44 HG21 VAL 44 70.712 7.392 1.641 333 HG22 VAL 44 HG22 VAL 44 72.418 7.686 1.990 334 HG23 VAL 44 HG23 VAL 44 71.174 8.323 3.065 335 H MET 45 HN MET 45 72.727 4.347 5.033 336 HA MET 45 HA MET 45 70.642 2.660 5.992 337 HB2 MET 45 HB2 MET 45 73.658 2.553 6.371 338 HB3 MET 45 HB1 MET 45 72.563 1.191 6.593 339 HG2 MET 45 HG2 MET 45 71.914 2.238 4.072 340 HG3 MET 45 HG1 MET 45 73.678 2.231 4.135 341 HE1 MET 45 HE1 MET 45 70.499 0.752 4.118 342 HE2 MET 45 HE2 MET 45 70.710 -0.430 5.413 343 HE3 MET 45 HE3 MET 45 70.671 -0.975 3.739 344 H ARG 46 HN ARG 46 73.170 4.441 7.827 345 HA ARG 46 HA ARG 46 72.344 3.537 10.428 346 HB2 ARG 46 HB2 ARG 46 74.044 5.672 9.232 347 HB3 ARG 46 HB1 ARG 46 73.526 5.930 10.900 348 HG2 ARG 46 HG2 ARG 46 74.470 3.823 11.600 349 HG3 ARG 46 HG1 ARG 46 74.793 3.357 9.931 350 HD2 ARG 46 HD2 ARG 46 76.017 5.937 10.725 351 HD3 ARG 46 HD1 ARG 46 76.666 4.515 11.562 352 HE ARG 46 HE ARG 46 76.615 4.870 8.595 353 HH11 ARG 46 HH11 ARG 46 76.376 2.036 9.756 354 HH12 ARG 46 HH12 ARG 46 78.030 1.527 9.723 355 HH21 ARG 46 HH21 ARG 46 79.262 4.739 9.242 356 HH22 ARG 46 HH22 ARG 46 79.672 3.064 9.393 357 H MET 47 HN MET 47 71.214 6.189 8.366 358 HA MET 47 HA MET 47 69.697 7.586 10.393 359 HB2 MET 47 HB2 MET 47 70.539 8.364 8.091 360 HB3 MET 47 HB1 MET 47 69.167 7.490 7.413 361 HG2 MET 47 HG2 MET 47 67.615 8.845 8.756 362 HG3 MET 47 HG1 MET 47 68.975 9.694 9.493 363 HE1 MET 47 HE1 MET 47 66.373 9.977 6.568 364 HE2 MET 47 HE2 MET 47 67.365 8.538 6.337 365 HE3 MET 47 HE3 MET 47 67.469 9.865 5.184 366 H LEU 48 HN LEU 48 68.927 4.911 8.160 367 HA LEU 48 HA LEU 48 66.062 4.910 8.853 368 HB2 LEU 48 HB2 LEU 48 67.955 3.390 7.097 369 HB3 LEU 48 HB1 LEU 48 66.439 2.606 7.533 370 HG LEU 48 HG LEU 48 65.620 5.164 6.867 371 HD11 LEU 48 HD11 LEU 48 67.996 4.343 5.204 372 HD12 LEU 48 HD12 LEU 48 67.640 5.917 5.916 373 HD13 LEU 48 HD13 LEU 48 66.719 5.348 4.522 374 HD21 LEU 48 HD21 LEU 48 64.353 3.326 6.120 375 HD22 LEU 48 HD22 LEU 48 65.753 2.540 5.388 376 HD23 LEU 48 HD23 LEU 48 65.037 3.956 4.620 377 H GLY 49 HN GLY 49 68.928 2.913 9.566 378 HA2 GLY 49 HA2 GLY 49 68.707 2.209 12.122 379 HA3 GLY 49 HA1 GLY 49 67.350 1.280 11.484 380 H GLN 50 HN GLN 50 70.616 1.896 10.154 381 HA GLN 50 HA GLN 50 71.109 -1.067 10.206 382 HB2 GLN 50 HB2 GLN 50 71.889 0.790 7.951 383 HB3 GLN 50 HB1 GLN 50 71.865 -0.968 7.928 384 HG2 GLN 50 HG2 GLN 50 69.299 0.493 8.448 385 HG3 GLN 50 HG1 GLN 50 69.923 0.438 6.799 386 HE21 GLN 50 HE21 GLN 50 68.108 -1.311 9.105 387 HE22 GLN 50 HE22 GLN 50 68.123 -2.816 8.323 388 H ASN 51 HN ASN 51 73.382 -1.608 10.387 389 HA ASN 51 HA ASN 51 75.216 0.701 10.938 390 HB2 ASN 51 HB2 ASN 51 74.087 -0.567 12.936 391 HB3 ASN 51 HB1 ASN 51 75.244 -1.842 12.553 392 HD21 ASN 51 HD21 ASN 51 77.532 -1.403 12.930 393 HD22 ASN 51 HD22 ASN 51 78.038 -0.049 13.817 394 HA PRO 52 HA PRO 52 77.061 -2.715 8.250 395 HB2 PRO 52 HB2 PRO 52 77.178 -1.362 5.871 396 HB3 PRO 52 HB1 PRO 52 75.787 -2.351 6.356 397 HG2 PRO 52 HG2 PRO 52 76.120 0.595 6.393 398 HG3 PRO 52 HG1 PRO 52 74.680 -0.375 6.063 399 HD2 PRO 52 HD2 PRO 52 75.186 0.912 8.445 400 HD3 PRO 52 HD1 PRO 52 74.099 -0.481 8.255 401 H THR 53 HN THR 53 79.284 -2.699 7.480 402 HA THR 53 HA THR 53 80.942 -0.582 8.641 403 HB THR 53 HB THR 53 82.584 -2.277 7.170 404 HG1 THR 53 HG1 THR 53 81.603 -4.358 7.797 405 HG21 THR 53 HG21 THR 53 82.347 -3.576 9.563 406 HG22 THR 53 HG22 THR 53 81.670 -1.996 9.955 407 HG23 THR 53 HG23 THR 53 83.307 -2.119 9.314 408 HA PRO 54 HA PRO 54 81.134 1.917 5.020 409 HB2 PRO 54 HB2 PRO 54 83.504 3.204 5.521 410 HB3 PRO 54 HB1 PRO 54 81.991 3.575 6.367 411 HG2 PRO 54 HG2 PRO 54 84.277 1.865 7.250 412 HG3 PRO 54 HG1 PRO 54 83.345 3.059 8.173 413 HD2 PRO 54 HD2 PRO 54 82.896 0.412 8.400 414 HD3 PRO 54 HD1 PRO 54 81.586 1.604 8.533 415 H GLU 55 HN GLU 55 84.097 0.083 5.876 416 HA GLU 55 HA GLU 55 85.227 0.266 3.204 417 HB2 GLU 55 HB2 GLU 55 86.894 -1.257 4.111 418 HB3 GLU 55 HB1 GLU 55 86.482 -0.082 5.358 419 HG2 GLU 55 HG2 GLU 55 84.750 -2.437 5.441 420 HG3 GLU 55 HG1 GLU 55 86.444 -2.849 5.650 421 H GLU 56 HN GLU 56 82.997 -1.982 4.772 422 HA GLU 56 HA GLU 56 83.200 -3.905 2.523 423 HB2 GLU 56 HB2 GLU 56 81.782 -3.755 5.183 424 HB3 GLU 56 HB1 GLU 56 81.349 -4.993 4.000 425 HG2 GLU 56 HG2 GLU 56 83.364 -6.098 4.207 426 HG3 GLU 56 HG1 GLU 56 84.253 -4.621 4.572 427 H LEU 57 HN LEU 57 81.289 -1.163 3.484 428 HA LEU 57 HA LEU 57 78.786 -1.758 2.256 429 HB2 LEU 57 HB2 LEU 57 79.470 0.156 3.817 430 HB3 LEU 57 HB1 LEU 57 80.124 0.955 2.386 431 HG LEU 57 HG LEU 57 77.743 0.406 1.374 432 HD11 LEU 57 HD11 LEU 57 77.439 -0.602 3.957 433 HD12 LEU 57 HD12 LEU 57 76.140 -0.262 2.815 434 HD13 LEU 57 HD13 LEU 57 76.609 0.953 4.006 435 HD21 LEU 57 HD21 LEU 57 78.580 2.610 3.233 436 HD22 LEU 57 HD22 LEU 57 76.939 2.594 2.591 437 HD23 LEU 57 HD23 LEU 57 78.315 2.661 1.491 438 H GLN 58 HN GLN 58 81.845 -0.582 0.880 439 HA GLN 58 HA GLN 58 80.975 0.338 -1.647 440 HB2 GLN 58 HB2 GLN 58 83.279 0.419 -0.638 441 HB3 GLN 58 HB1 GLN 58 83.448 -1.301 -0.990 442 HG2 GLN 58 HG2 GLN 58 84.321 -0.560 -2.964 443 HG3 GLN 58 HG1 GLN 58 82.627 -0.363 -3.416 444 HE21 GLN 58 HE21 GLN 58 82.015 1.725 -4.016 445 HE22 GLN 58 HE22 GLN 58 82.882 3.132 -3.641 446 H GLU 59 HN GLU 59 81.992 -2.994 -0.756 447 HA GLU 59 HA GLU 59 81.230 -4.169 -3.294 448 HB2 GLU 59 HB2 GLU 59 82.897 -5.098 -1.708 449 HB3 GLU 59 HB1 GLU 59 81.615 -5.367 -0.526 450 HG2 GLU 59 HG2 GLU 59 80.809 -7.200 -1.612 451 HG3 GLU 59 HG1 GLU 59 81.101 -6.508 -3.208 452 H MET 60 HN MET 60 79.627 -3.836 -0.133 453 HA MET 60 HA MET 60 77.337 -5.453 -0.527 454 HB2 MET 60 HB2 MET 60 78.309 -3.403 1.237 455 HB3 MET 60 HB1 MET 60 76.617 -3.077 0.872 456 HG2 MET 60 HG2 MET 60 76.481 -5.750 1.277 457 HG3 MET 60 HG1 MET 60 77.832 -5.358 2.341 458 HE1 MET 60 HE1 MET 60 73.570 -3.881 2.312 459 HE2 MET 60 HE2 MET 60 74.668 -4.195 0.968 460 HE3 MET 60 HE3 MET 60 74.698 -2.628 1.780 461 H ILE 61 HN ILE 61 77.805 -2.009 -1.382 462 HA ILE 61 HA ILE 61 75.166 -1.719 -2.572 463 HB ILE 61 HB ILE 61 77.735 -0.158 -2.396 464 HG12 ILE 61 HG12 ILE 61 74.903 0.623 -1.663 465 HG13 ILE 61 HG11 ILE 61 75.945 -0.281 -0.567 466 HG21 ILE 61 HG21 ILE 61 75.376 0.421 -4.196 467 HG22 ILE 61 HG22 ILE 61 77.093 0.423 -4.607 468 HG23 ILE 61 HG23 ILE 61 76.428 1.704 -3.596 469 HD11 ILE 61 HD11 ILE 61 76.643 1.772 0.123 470 HD12 ILE 61 HD12 ILE 61 76.043 2.565 -1.332 471 HD13 ILE 61 HD13 ILE 61 77.609 1.757 -1.352 472 H ASP 62 HN ASP 62 78.463 -2.226 -3.884 473 HA ASP 62 HA ASP 62 77.831 -2.084 -6.661 474 HB2 ASP 62 HB2 ASP 62 79.991 -3.021 -4.908 475 HB3 ASP 62 HB1 ASP 62 79.870 -3.963 -6.391 476 H GLU 63 HN GLU 63 77.663 -4.811 -4.367 477 HA GLU 63 HA GLU 63 77.099 -6.916 -6.215 478 HB2 GLU 63 HB2 GLU 63 77.577 -6.772 -3.603 479 HB3 GLU 63 HB1 GLU 63 75.816 -6.748 -3.498 480 HG2 GLU 63 HG2 GLU 63 77.269 -8.833 -5.131 481 HG3 GLU 63 HG1 GLU 63 76.977 -9.056 -3.409 482 H VAL 64 HN VAL 64 74.909 -4.659 -4.503 483 HA VAL 64 HA VAL 64 72.482 -5.768 -5.698 484 HB VAL 64 HB VAL 64 73.044 -3.134 -4.279 485 HG11 VAL 64 HG11 VAL 64 70.704 -2.930 -3.967 486 HG12 VAL 64 HG12 VAL 64 70.409 -4.605 -4.436 487 HG13 VAL 64 HG13 VAL 64 70.869 -3.418 -5.653 488 HG21 VAL 64 HG21 VAL 64 72.148 -4.358 -2.284 489 HG22 VAL 64 HG22 VAL 64 73.657 -5.051 -2.882 490 HG23 VAL 64 HG23 VAL 64 72.122 -5.838 -3.242 491 H ASP 65 HN ASP 65 74.655 -3.036 -6.408 492 HA ASP 65 HA ASP 65 72.988 -1.857 -8.462 493 HB2 ASP 65 HB2 ASP 65 74.939 -0.872 -7.067 494 HB3 ASP 65 HB1 ASP 65 75.999 -1.658 -8.234 495 H GLU 66 HN GLU 66 72.401 -3.316 -10.085 496 HA GLU 66 HA GLU 66 74.432 -5.079 -11.316 497 HB2 GLU 66 HB2 GLU 66 71.692 -5.185 -10.806 498 HB3 GLU 66 HB1 GLU 66 71.787 -4.964 -12.556 499 HG2 GLU 66 HG2 GLU 66 73.511 -6.826 -12.596 500 HG3 GLU 66 HG1 GLU 66 73.117 -7.131 -10.906 501 H ASP 67 HN ASP 67 72.623 -2.134 -12.122 502 HA ASP 67 HA ASP 67 73.282 -2.094 -14.940 503 HB2 ASP 67 HB2 ASP 67 72.640 0.359 -14.654 504 HB3 ASP 67 HB1 ASP 67 71.430 -0.805 -14.123 505 H GLY 68 HN GLY 68 75.106 -1.277 -12.079 506 HA2 GLY 68 HA2 GLY 68 77.411 -0.812 -11.932 507 HA3 GLY 68 HA1 GLY 68 77.485 -0.797 -13.691 508 H SER 69 HN SER 69 75.268 1.257 -11.812 509 HA SER 69 HA SER 69 76.398 3.636 -13.122 510 HB2 SER 69 HB2 SER 69 74.519 4.762 -12.068 511 HB3 SER 69 HB1 SER 69 73.956 3.223 -12.707 512 HG SER 69 HG SER 69 73.897 4.122 -10.193 513 H GLY 70 HN GLY 70 76.625 2.059 -9.976 514 HA2 GLY 70 HA2 GLY 70 78.549 2.463 -8.541 515 HA3 GLY 70 HA1 GLY 70 78.644 4.103 -9.182 516 H THR 71 HN THR 71 75.636 4.371 -8.897 517 HA THR 71 HA THR 71 75.637 4.927 -5.956 518 HB THR 71 HB THR 71 73.825 6.583 -6.691 519 HG1 THR 71 HG1 THR 71 73.260 5.857 -8.666 520 HG21 THR 71 HG21 THR 71 75.805 7.674 -6.257 521 HG22 THR 71 HG22 THR 71 75.688 7.984 -7.990 522 HG23 THR 71 HG23 THR 71 76.723 6.687 -7.394 523 H VAL 72 HN VAL 72 73.698 4.513 -4.774 524 HA VAL 72 HA VAL 72 72.158 2.171 -5.718 525 HB VAL 72 HB VAL 72 72.384 3.754 -3.143 526 HG11 VAL 72 HG11 VAL 72 70.394 1.697 -3.974 527 HG12 VAL 72 HG12 VAL 72 70.236 3.008 -2.802 528 HG13 VAL 72 HG13 VAL 72 71.088 1.529 -2.361 529 HG21 VAL 72 HG21 VAL 72 73.362 1.089 -4.158 530 HG22 VAL 72 HG22 VAL 72 73.196 1.375 -2.426 531 HG23 VAL 72 HG23 VAL 72 74.284 2.377 -3.385 532 H ASP 73 HN ASP 73 70.091 2.326 -6.513 533 HA ASP 73 HA ASP 73 68.755 5.004 -6.422 534 HB2 ASP 73 HB2 ASP 73 67.516 3.172 -8.264 535 HB3 ASP 73 HB1 ASP 73 68.381 4.660 -8.621 536 H PHE 74 HN PHE 74 66.215 4.636 -6.663 537 HA PHE 74 HA PHE 74 65.144 3.782 -4.221 538 HB2 PHE 74 HB2 PHE 74 64.276 4.699 -6.783 539 HB3 PHE 74 HB1 PHE 74 63.255 3.333 -6.337 540 HD1 PHE 74 HD1 PHE 74 62.092 3.336 -4.093 541 HD2 PHE 74 HD2 PHE 74 64.067 6.800 -5.688 542 HE1 PHE 74 HE1 PHE 74 60.837 4.784 -2.514 543 HE2 PHE 74 HE2 PHE 74 62.816 8.243 -4.112 544 HZ PHE 74 HZ PHE 74 61.204 7.230 -2.522 545 H ASP 75 HN ASP 75 65.040 1.916 -7.288 546 HA ASP 75 HA ASP 75 63.878 -0.464 -6.271 547 HB2 ASP 75 HB2 ASP 75 64.622 0.500 -8.680 548 HB3 ASP 75 HB1 ASP 75 65.956 -0.618 -8.406 549 H GLU 76 HN GLU 76 67.340 0.391 -6.617 550 HA GLU 76 HA GLU 76 68.432 -2.068 -5.651 551 HB2 GLU 76 HB2 GLU 76 69.275 0.572 -6.433 552 HB3 GLU 76 HB1 GLU 76 70.109 0.126 -4.944 553 HG2 GLU 76 HG2 GLU 76 71.227 -1.630 -5.931 554 HG3 GLU 76 HG1 GLU 76 69.923 -1.957 -7.074 555 H PHE 77 HN PHE 77 67.665 0.975 -3.906 556 HA PHE 77 HA PHE 77 68.565 0.098 -1.325 557 HB2 PHE 77 HB2 PHE 77 68.103 2.444 -2.111 558 HB3 PHE 77 HB1 PHE 77 66.380 2.088 -2.029 559 HD1 PHE 77 HD1 PHE 77 69.347 1.413 0.195 560 HD2 PHE 77 HD2 PHE 77 65.365 2.987 -0.152 561 HE1 PHE 77 HE1 PHE 77 69.337 1.928 2.621 562 HE2 PHE 77 HE2 PHE 77 65.358 3.503 2.270 563 HZ PHE 77 HZ PHE 77 67.346 2.974 3.659 564 H LEU 78 HN LEU 78 65.281 -0.003 -2.818 565 HA LEU 78 HA LEU 78 63.882 -1.083 -0.574 566 HB2 LEU 78 HB2 LEU 78 63.502 -0.661 -3.427 567 HB3 LEU 78 HB1 LEU 78 62.755 -2.173 -2.912 568 HG LEU 78 HG LEU 78 62.346 0.374 -1.335 569 HD11 LEU 78 HD11 LEU 78 61.668 0.815 -3.681 570 HD12 LEU 78 HD12 LEU 78 60.269 0.741 -2.613 571 HD13 LEU 78 HD13 LEU 78 60.655 -0.630 -3.649 572 HD21 LEU 78 HD21 LEU 78 61.663 -1.656 -0.207 573 HD22 LEU 78 HD22 LEU 78 60.846 -2.247 -1.652 574 HD23 LEU 78 HD23 LEU 78 60.195 -0.860 -0.779 575 H VAL 79 HN VAL 79 65.489 -2.798 -3.296 576 HA VAL 79 HA VAL 79 64.944 -5.467 -2.306 577 HB VAL 79 HB VAL 79 66.957 -4.258 -4.235 578 HG11 VAL 79 HG11 VAL 79 66.935 -6.838 -4.978 579 HG12 VAL 79 HG12 VAL 79 66.639 -7.063 -3.254 580 HG13 VAL 79 HG13 VAL 79 68.091 -6.222 -3.796 581 HG21 VAL 79 HG21 VAL 79 64.423 -4.310 -4.716 582 HG22 VAL 79 HG22 VAL 79 64.609 -6.058 -4.845 583 HG23 VAL 79 HG23 VAL 79 65.488 -4.996 -5.941 584 H MET 80 HN MET 80 67.629 -3.173 -1.878 585 HA MET 80 HA MET 80 69.417 -4.999 -0.510 586 HB2 MET 80 HB2 MET 80 70.198 -2.998 -1.650 587 HB3 MET 80 HB1 MET 80 69.174 -1.975 -0.645 588 HG2 MET 80 HG2 MET 80 70.468 -2.486 1.321 589 HG3 MET 80 HG1 MET 80 71.378 -3.731 0.464 590 HE1 MET 80 HE1 MET 80 72.726 0.201 1.356 591 HE2 MET 80 HE2 MET 80 71.522 -0.874 2.061 592 HE3 MET 80 HE3 MET 80 71.028 0.342 0.890 593 H MET 81 HN MET 81 66.818 -2.856 0.537 594 HA MET 81 HA MET 81 67.431 -2.902 3.369 595 HB2 MET 81 HB2 MET 81 65.289 -2.007 1.516 596 HB3 MET 81 HB1 MET 81 64.785 -2.290 3.183 597 HG2 MET 81 HG2 MET 81 67.307 -0.750 2.698 598 HG3 MET 81 HG1 MET 81 65.763 0.064 2.445 599 HE1 MET 81 HE1 MET 81 68.137 -0.121 5.879 600 HE2 MET 81 HE2 MET 81 67.437 1.367 5.255 601 HE3 MET 81 HE3 MET 81 68.256 0.259 4.156 602 H VAL 82 HN VAL 82 64.975 -4.668 1.408 603 HA VAL 82 HA VAL 82 63.956 -6.221 3.605 604 HB VAL 82 HB VAL 82 62.924 -7.575 1.806 605 HG11 VAL 82 HG11 VAL 82 61.446 -5.901 1.596 606 HG12 VAL 82 HG12 VAL 82 62.524 -5.047 0.493 607 HG13 VAL 82 HG13 VAL 82 62.654 -4.785 2.232 608 HG21 VAL 82 HG21 VAL 82 64.845 -7.671 0.268 609 HG22 VAL 82 HG22 VAL 82 64.708 -5.937 -0.029 610 HG23 VAL 82 HG23 VAL 82 63.426 -7.024 -0.557 611 H ARG 83 HN ARG 83 66.604 -6.892 1.291 612 HA ARG 83 HA ARG 83 66.980 -9.636 2.188 613 HB2 ARG 83 HB2 ARG 83 68.788 -9.622 0.642 614 HB3 ARG 83 HB1 ARG 83 67.616 -8.502 -0.046 615 HG2 ARG 83 HG2 ARG 83 68.858 -6.618 1.030 616 HG3 ARG 83 HG1 ARG 83 70.078 -7.771 1.565 617 HD2 ARG 83 HD2 ARG 83 69.344 -7.733 -1.349 618 HD3 ARG 83 HD1 ARG 83 70.416 -6.467 -0.715 619 HE ARG 83 HE ARG 83 71.234 -9.052 0.275 620 HH11 ARG 83 HH21 ARG 83 71.013 -9.669 -2.632 621 HH12 ARG 83 HH22 ARG 83 72.556 -9.167 -3.235 622 HH21 ARG 83 HH11 ARG 83 73.357 -7.296 -0.460 623 HH22 ARG 83 HH12 ARG 83 73.868 -7.850 -2.019 624 H SER 84 HN SER 84 68.256 -6.497 3.220 625 HA SER 84 HA SER 84 70.259 -7.786 4.990 626 HB2 SER 84 HB2 SER 84 70.389 -5.575 3.534 627 HB3 SER 84 HB1 SER 84 69.637 -4.853 4.952 628 HG SER 84 HG SER 84 71.380 -5.335 6.141 629 H MET 85 HN MET 85 66.965 -6.863 5.199 630 HA MET 85 HA MET 85 66.872 -5.907 7.931 631 HB2 MET 85 HB2 MET 85 65.071 -6.656 5.744 632 HB3 MET 85 HB1 MET 85 64.425 -7.099 7.325 633 HG2 MET 85 HG2 MET 85 65.140 -4.700 8.038 634 HG3 MET 85 HG1 MET 85 65.194 -4.374 6.306 635 HE1 MET 85 HE1 MET 85 63.765 -3.081 5.603 636 HE2 MET 85 HE2 MET 85 62.962 -2.413 7.024 637 HE3 MET 85 HE3 MET 85 62.001 -3.079 5.703 638 H LYS 86 HN LYS 86 66.795 -9.147 6.480 639 HA LYS 86 HA LYS 86 65.983 -10.468 8.975 640 HB2 LYS 86 HB2 LYS 86 65.672 -11.042 6.393 641 HB3 LYS 86 HB1 LYS 86 67.205 -11.883 6.633 642 HG2 LYS 86 HG2 LYS 86 65.532 -12.487 8.863 643 HG3 LYS 86 HG1 LYS 86 64.575 -12.725 7.403 644 HD2 LYS 86 HD2 LYS 86 65.620 -14.693 7.091 645 HD3 LYS 86 HD1 LYS 86 67.129 -13.809 6.845 646 HE2 LYS 86 HE2 LYS 86 66.468 -13.993 9.685 647 HE3 LYS 86 HE1 LYS 86 66.607 -15.595 8.935 648 HZ1 LYS 86 HZ1 LYS 86 68.784 -14.734 9.617 649 HZ2 LYS 86 HZ2 LYS 86 68.571 -13.378 8.611 650 HZ3 LYS 86 HZ3 LYS 86 68.693 -14.937 7.939 651 H ASP 87 HN ASP 87 67.861 -9.442 10.208 652 HA ASP 87 HA ASP 87 70.330 -11.133 9.964 653 HB2 ASP 87 HB2 ASP 87 70.721 -8.838 9.203 654 HB3 ASP 87 HB1 ASP 87 69.988 -8.195 10.670 655 H ASP 88 HN ASP 88 69.475 -8.724 12.432 656 HA ASP 88 HA ASP 88 69.278 -8.890 14.763 657 HB2 ASP 88 HB2 ASP 88 67.844 -11.296 13.643 658 HB3 ASP 88 HB1 ASP 88 67.908 -11.032 15.385 659 H SER 89 HN SER 89 69.495 -11.042 16.524 660 HA SER 89 HA SER 89 71.888 -12.643 15.897 661 HB2 SER 89 HB2 SER 89 72.545 -10.199 16.482 662 HB3 SER 89 HB1 SER 89 72.050 -10.598 18.123 663 HG SER 89 HG SER 89 73.547 -12.344 18.042 Start of MODEL 7 1 H1 MET 1 HT1 MET 1 61.835 -10.821 -13.069 2 H2 MET 1 HT2 MET 1 60.167 -11.058 -12.836 3 H3 MET 1 HT3 MET 1 60.908 -11.565 -14.276 4 HA MET 1 HA MET 1 60.431 -13.422 -12.701 5 HB2 MET 1 HB2 MET 1 62.934 -12.617 -14.029 6 HB3 MET 1 HB1 MET 1 63.166 -13.861 -12.802 7 HG2 MET 1 HG2 MET 1 61.060 -14.960 -13.961 8 HG3 MET 1 HG1 MET 1 61.569 -13.971 -15.332 9 HE1 MET 1 HE1 MET 1 62.806 -17.996 -14.515 10 HE2 MET 1 HE2 MET 1 61.347 -17.056 -14.215 11 HE3 MET 1 HE3 MET 1 62.619 -17.110 -12.996 12 H ASP 2 HN ASP 2 61.830 -14.609 -10.923 13 HA ASP 2 HA ASP 2 62.543 -14.698 -8.685 14 HB2 ASP 2 HB2 ASP 2 64.309 -13.246 -9.911 15 HB3 ASP 2 HB1 ASP 2 63.544 -11.882 -9.100 16 H ASP 3 HN ASP 3 60.321 -14.663 -7.948 17 HA ASP 3 HA ASP 3 59.032 -12.119 -7.228 18 HB2 ASP 3 HB2 ASP 3 57.775 -14.061 -8.060 19 HB3 ASP 3 HB1 ASP 3 58.373 -15.047 -6.727 20 H ILE 4 HN ILE 4 60.878 -14.667 -5.594 21 HA ILE 4 HA ILE 4 60.252 -14.270 -2.904 22 HB ILE 4 HB ILE 4 62.685 -14.927 -2.529 23 HG12 ILE 4 HG12 ILE 4 63.094 -15.566 -5.357 24 HG13 ILE 4 HG11 ILE 4 63.033 -13.828 -5.074 25 HG21 ILE 4 HG21 ILE 4 61.316 -16.780 -2.632 26 HG22 ILE 4 HG22 ILE 4 62.320 -17.079 -4.052 27 HG23 ILE 4 HG23 ILE 4 60.710 -16.383 -4.239 28 HD11 ILE 4 HD11 ILE 4 64.787 -13.949 -3.445 29 HD12 ILE 4 HD12 ILE 4 65.330 -14.866 -4.852 30 HD13 ILE 4 HD13 ILE 4 64.725 -15.711 -3.423 31 H TYR 5 HN TYR 5 62.219 -12.110 -4.948 32 HA TYR 5 HA TYR 5 62.918 -10.467 -2.568 33 HB2 TYR 5 HB2 TYR 5 63.871 -10.858 -5.343 34 HB3 TYR 5 HB1 TYR 5 63.981 -9.205 -4.746 35 HD1 TYR 5 HD2 TYR 5 64.893 -8.983 -2.264 36 HD2 TYR 5 HD1 TYR 5 65.616 -12.323 -4.859 37 HE1 TYR 5 HE2 TYR 5 66.875 -9.601 -0.910 38 HE2 TYR 5 HE1 TYR 5 67.597 -12.947 -3.511 39 HH TYR 5 HH TYR 5 68.253 -12.456 -0.873 40 H LYS 6 HN LYS 6 61.277 -10.039 -5.737 41 HA LYS 6 HA LYS 6 60.479 -7.320 -5.266 42 HB2 LYS 6 HB2 LYS 6 60.394 -9.218 -7.312 43 HB3 LYS 6 HB1 LYS 6 58.694 -8.876 -6.979 44 HG2 LYS 6 HG2 LYS 6 59.168 -7.169 -8.475 45 HG3 LYS 6 HG1 LYS 6 59.562 -6.359 -6.954 46 HD2 LYS 6 HD2 LYS 6 61.935 -7.028 -7.229 47 HD3 LYS 6 HD1 LYS 6 61.529 -7.799 -8.757 48 HE2 LYS 6 HE2 LYS 6 62.208 -5.739 -9.571 49 HE3 LYS 6 HE1 LYS 6 60.509 -5.348 -9.256 50 HZ1 LYS 6 HZ1 LYS 6 61.025 -4.141 -7.442 51 HZ2 LYS 6 HZ2 LYS 6 62.553 -4.008 -8.171 52 HZ3 LYS 6 HZ3 LYS 6 62.285 -5.169 -6.961 53 H ALA 7 HN ALA 7 58.794 -10.415 -4.626 54 HA ALA 7 HA ALA 7 56.225 -9.481 -3.958 55 HB1 ALA 7 HB1 ALA 7 56.129 -11.527 -2.569 56 HB2 ALA 7 HB2 ALA 7 57.887 -11.659 -2.644 57 HB3 ALA 7 HB3 ALA 7 56.923 -11.842 -4.111 58 H ALA 8 HN ALA 8 59.214 -9.255 -2.064 59 HA ALA 8 HA ALA 8 58.149 -8.698 0.509 60 HB1 ALA 8 HB1 ALA 8 60.337 -7.860 0.959 61 HB2 ALA 8 HB2 ALA 8 60.570 -7.357 -0.716 62 HB3 ALA 8 HB3 ALA 8 60.570 -9.072 -0.301 63 H VAL 9 HN VAL 9 58.877 -6.441 -2.184 64 HA VAL 9 HA VAL 9 58.232 -3.989 -0.933 65 HB VAL 9 HB VAL 9 57.820 -4.991 -3.769 66 HG11 VAL 9 HG11 VAL 9 56.506 -3.053 -3.747 67 HG12 VAL 9 HG12 VAL 9 58.089 -2.423 -4.208 68 HG13 VAL 9 HG13 VAL 9 57.525 -2.257 -2.545 69 HG21 VAL 9 HG21 VAL 9 60.151 -4.979 -2.713 70 HG22 VAL 9 HG22 VAL 9 60.009 -3.223 -2.652 71 HG23 VAL 9 HG23 VAL 9 59.975 -4.056 -4.205 72 H GLU 10 HN GLU 10 56.023 -6.271 -2.598 73 HA GLU 10 HA GLU 10 53.629 -4.701 -2.203 74 HB2 GLU 10 HB2 GLU 10 54.277 -7.584 -2.824 75 HB3 GLU 10 HB1 GLU 10 52.606 -7.040 -2.663 76 HG2 GLU 10 HG2 GLU 10 52.728 -6.455 -4.839 77 HG3 GLU 10 HG1 GLU 10 53.770 -5.129 -4.326 78 H GLN 11 HN GLN 11 55.226 -7.238 -0.285 79 HA GLN 11 HA GLN 11 53.036 -7.468 1.650 80 HB2 GLN 11 HB2 GLN 11 55.698 -8.646 1.084 81 HB3 GLN 11 HB1 GLN 11 55.211 -8.666 2.775 82 HG2 GLN 11 HG2 GLN 11 54.099 -10.569 2.211 83 HG3 GLN 11 HG1 GLN 11 52.895 -9.467 1.546 84 HE21 GLN 11 HE21 GLN 11 53.054 -9.007 -0.843 85 HE22 GLN 11 HE22 GLN 11 53.804 -10.140 -1.860 86 H LEU 12 HN LEU 12 55.889 -5.456 1.334 87 HA LEU 12 HA LEU 12 56.459 -4.833 4.044 88 HB2 LEU 12 HB2 LEU 12 56.655 -3.392 1.403 89 HB3 LEU 12 HB1 LEU 12 57.144 -2.584 2.891 90 HG LEU 12 HG LEU 12 58.192 -5.315 2.129 91 HD11 LEU 12 HD11 LEU 12 60.055 -3.115 1.765 92 HD12 LEU 12 HD12 LEU 12 58.658 -2.962 0.698 93 HD13 LEU 12 HD13 LEU 12 59.642 -4.425 0.658 94 HD21 LEU 12 HD21 LEU 12 58.652 -4.911 4.398 95 HD22 LEU 12 HD22 LEU 12 58.888 -3.184 4.135 96 HD23 LEU 12 HD23 LEU 12 60.112 -4.332 3.600 97 H THR 13 HN THR 13 55.478 -3.453 5.540 98 HA THR 13 HA THR 13 52.733 -2.558 5.011 99 HB THR 13 HB THR 13 53.078 -1.692 7.440 100 HG1 THR 13 HG1 THR 13 54.900 -2.498 8.445 101 HG21 THR 13 HG21 THR 13 53.475 -4.620 6.757 102 HG22 THR 13 HG22 THR 13 51.928 -3.786 6.915 103 HG23 THR 13 HG23 THR 13 52.957 -4.006 8.329 104 H GLU 14 HN GLU 14 52.055 -0.286 5.404 105 HA GLU 14 HA GLU 14 53.601 1.617 3.894 106 HB2 GLU 14 HB2 GLU 14 51.009 1.294 4.848 107 HB3 GLU 14 HB1 GLU 14 51.592 2.702 5.733 108 HG2 GLU 14 HG2 GLU 14 51.686 2.346 2.722 109 HG3 GLU 14 HG1 GLU 14 50.557 3.377 3.600 110 H GLU 15 HN GLU 15 53.301 1.017 7.389 111 HA GLU 15 HA GLU 15 54.377 3.376 8.471 112 HB2 GLU 15 HB2 GLU 15 54.907 1.953 10.378 113 HB3 GLU 15 HB1 GLU 15 53.403 1.397 9.651 114 HG2 GLU 15 HG2 GLU 15 54.754 -0.301 8.351 115 HG3 GLU 15 HG1 GLU 15 56.154 0.164 9.316 116 H GLN 16 HN GLN 16 56.193 0.600 7.073 117 HA GLN 16 HA GLN 16 58.757 1.992 7.612 118 HB2 GLN 16 HB2 GLN 16 59.748 -0.096 6.983 119 HB3 GLN 16 HB1 GLN 16 58.329 -0.490 7.943 120 HG2 GLN 16 HG2 GLN 16 57.104 -0.606 5.630 121 HG3 GLN 16 HG1 GLN 16 58.729 -0.756 4.970 122 HE21 GLN 16 HE21 GLN 16 59.883 -2.274 7.165 123 HE22 GLN 16 HE22 GLN 16 59.159 -3.807 7.162 124 H LYS 17 HN LYS 17 56.547 1.380 4.940 125 HA LYS 17 HA LYS 17 58.395 2.041 2.798 126 HB2 LYS 17 HB2 LYS 17 55.477 1.616 3.217 127 HB3 LYS 17 HB1 LYS 17 55.925 2.561 1.799 128 HG2 LYS 17 HG2 LYS 17 56.912 0.782 0.758 129 HG3 LYS 17 HG1 LYS 17 57.515 0.102 2.270 130 HD2 LYS 17 HD2 LYS 17 55.845 -1.405 2.150 131 HD3 LYS 17 HD1 LYS 17 54.727 -0.081 2.478 132 HE2 LYS 17 HE2 LYS 17 54.223 0.232 0.198 133 HE3 LYS 17 HE1 LYS 17 55.702 -0.591 -0.337 134 HZ1 LYS 17 HZ1 LYS 17 53.745 -2.052 1.315 135 HZ2 LYS 17 HZ2 LYS 17 54.857 -2.657 0.178 136 HZ3 LYS 17 HZ3 LYS 17 53.449 -1.870 -0.345 137 H ASN 18 HN ASN 18 56.276 3.921 4.931 138 HA ASN 18 HA ASN 18 56.379 6.390 3.428 139 HB2 ASN 18 HB2 ASN 18 54.884 6.973 5.032 140 HB3 ASN 18 HB1 ASN 18 55.066 5.343 5.673 141 HD21 ASN 18 HD21 ASN 18 56.319 8.685 6.003 142 HD22 ASN 18 HD22 ASN 18 56.883 8.480 7.591 143 H GLU 19 HN GLU 19 58.360 5.136 6.160 144 HA GLU 19 HA GLU 19 60.007 7.511 6.372 145 HB2 GLU 19 HB2 GLU 19 61.246 6.205 7.943 146 HB3 GLU 19 HB1 GLU 19 59.583 5.634 8.079 147 HG2 GLU 19 HG2 GLU 19 60.094 3.732 6.622 148 HG3 GLU 19 HG1 GLU 19 61.746 4.307 6.413 149 H PHE 20 HN PHE 20 60.244 4.545 4.421 150 HA PHE 20 HA PHE 20 62.966 4.832 3.553 151 HB2 PHE 20 HB2 PHE 20 60.478 3.634 2.291 152 HB3 PHE 20 HB1 PHE 20 62.086 3.448 1.597 153 HD1 PHE 20 HD2 PHE 20 62.976 3.564 4.852 154 HD2 PHE 20 HD1 PHE 20 60.683 1.029 2.249 155 HE1 PHE 20 HE2 PHE 20 63.382 1.648 6.366 156 HE2 PHE 20 HE1 PHE 20 61.091 -0.890 3.766 157 HZ PHE 20 HZ PHE 20 62.442 -0.574 5.824 158 H LYS 21 HN LYS 21 59.896 5.957 2.116 159 HA LYS 21 HA LYS 21 61.073 7.337 -0.121 160 HB2 LYS 21 HB2 LYS 21 58.761 6.679 -0.160 161 HB3 LYS 21 HB1 LYS 21 58.440 7.486 1.374 162 HG2 LYS 21 HG2 LYS 21 57.557 8.821 -0.492 163 HG3 LYS 21 HG1 LYS 21 58.873 9.679 0.307 164 HD2 LYS 21 HD2 LYS 21 60.366 9.303 -1.457 165 HD3 LYS 21 HD1 LYS 21 59.468 7.905 -2.049 166 HE2 LYS 21 HE2 LYS 21 57.952 9.203 -3.224 167 HE3 LYS 21 HE1 LYS 21 58.064 10.554 -2.072 168 HZ1 LYS 21 HZ1 LYS 21 60.165 9.705 -4.000 169 HZ2 LYS 21 HZ2 LYS 21 60.363 10.917 -2.824 170 HZ3 LYS 21 HZ3 LYS 21 59.242 11.126 -4.085 171 H ALA 22 HN ALA 22 59.936 8.476 3.089 172 HA ALA 22 HA ALA 22 60.542 11.242 2.769 173 HB1 ALA 22 HB1 ALA 22 60.714 11.036 5.357 174 HB2 ALA 22 HB2 ALA 22 60.352 9.330 5.099 175 HB3 ALA 22 HB3 ALA 22 59.194 10.561 4.595 176 H ALA 23 HN ALA 23 62.561 8.569 4.042 177 HA ALA 23 HA ALA 23 64.873 10.166 4.675 178 HB1 ALA 23 HB1 ALA 23 64.451 7.237 3.989 179 HB2 ALA 23 HB2 ALA 23 64.499 7.955 5.601 180 HB3 ALA 23 HB3 ALA 23 65.966 7.882 4.625 181 H PHE 24 HN PHE 24 64.070 8.185 1.793 182 HA PHE 24 HA PHE 24 66.435 8.682 0.278 183 HB2 PHE 24 HB2 PHE 24 64.170 7.217 -0.001 184 HB3 PHE 24 HB1 PHE 24 63.804 8.535 -1.109 185 HD1 PHE 24 HD1 PHE 24 66.374 9.257 -2.245 186 HD2 PHE 24 HD2 PHE 24 64.830 5.373 -1.273 187 HE1 PHE 24 HE1 PHE 24 67.872 8.244 -3.930 188 HE2 PHE 24 HE2 PHE 24 66.334 4.354 -2.963 189 HZ PHE 24 HZ PHE 24 67.853 5.792 -4.296 190 H ASP 25 HN ASP 25 63.410 10.549 0.528 191 HA ASP 25 HA ASP 25 63.852 12.442 -1.538 192 HB2 ASP 25 HB2 ASP 25 62.220 12.104 0.886 193 HB3 ASP 25 HB1 ASP 25 62.481 13.787 0.441 194 H ILE 26 HN ILE 26 65.265 12.251 1.690 195 HA ILE 26 HA ILE 26 66.135 14.924 2.080 196 HB ILE 26 HB ILE 26 67.356 12.240 2.816 197 HG12 ILE 26 HG12 ILE 26 65.757 14.183 4.505 198 HG13 ILE 26 HG11 ILE 26 65.016 12.843 3.627 199 HG21 ILE 26 HG21 ILE 26 67.991 15.033 3.820 200 HG22 ILE 26 HG22 ILE 26 69.100 13.918 3.019 201 HG23 ILE 26 HG23 ILE 26 68.497 13.554 4.635 202 HD11 ILE 26 HD11 ILE 26 65.417 12.011 5.812 203 HD12 ILE 26 HD12 ILE 26 67.036 12.709 5.864 204 HD13 ILE 26 HD13 ILE 26 66.700 11.332 4.814 205 H PHE 27 HN PHE 27 67.622 12.293 0.165 206 HA PHE 27 HA PHE 27 69.757 14.197 -0.700 207 HB2 PHE 27 HB2 PHE 27 70.114 11.548 -1.785 208 HB3 PHE 27 HB1 PHE 27 71.126 12.410 -0.636 209 HD1 PHE 27 HD1 PHE 27 70.227 12.459 1.856 210 HD2 PHE 27 HD2 PHE 27 69.071 9.566 -1.110 211 HE1 PHE 27 HE1 PHE 27 69.515 10.903 3.649 212 HE2 PHE 27 HE2 PHE 27 68.353 8.015 0.686 213 HZ PHE 27 HZ PHE 27 68.576 8.677 3.063 214 H VAL 28 HN VAL 28 66.784 12.883 -1.787 215 HA VAL 28 HA VAL 28 67.414 12.972 -4.658 216 HB VAL 28 HB VAL 28 64.909 12.627 -2.985 217 HG11 VAL 28 HG11 VAL 28 63.737 12.148 -5.139 218 HG12 VAL 28 HG12 VAL 28 65.155 12.737 -6.004 219 HG13 VAL 28 HG13 VAL 28 64.220 13.837 -4.990 220 HG21 VAL 28 HG21 VAL 28 65.731 10.657 -5.033 221 HG22 VAL 28 HG22 VAL 28 65.191 10.393 -3.376 222 HG23 VAL 28 HG23 VAL 28 66.866 10.847 -3.698 223 H GLN 29 HN GLN 29 66.394 15.259 -2.227 224 HA GLN 29 HA GLN 29 64.904 17.133 -3.729 225 HB2 GLN 29 HB2 GLN 29 65.444 18.619 -1.908 226 HB3 GLN 29 HB1 GLN 29 65.342 16.992 -1.239 227 HG2 GLN 29 HG2 GLN 29 67.745 16.769 -1.212 228 HG3 GLN 29 HG1 GLN 29 67.950 18.275 -2.105 229 HE21 GLN 29 HE21 GLN 29 67.812 16.957 1.043 230 HE22 GLN 29 HE22 GLN 29 67.642 18.413 1.898 231 H GLY 30 HN GLY 30 68.423 16.630 -3.648 232 HA2 GLY 30 HA2 GLY 30 68.714 18.861 -5.633 233 HA3 GLY 30 HA1 GLY 30 69.996 18.389 -4.513 234 H ALA 31 HN ALA 31 67.842 16.421 -6.575 235 HA ALA 31 HA ALA 31 70.187 15.477 -8.161 236 HB1 ALA 31 HB1 ALA 31 69.673 13.161 -7.599 237 HB2 ALA 31 HB2 ALA 31 68.228 13.659 -6.719 238 HB3 ALA 31 HB3 ALA 31 69.823 14.064 -6.089 239 H GLU 32 HN GLU 32 69.455 14.201 -10.083 240 HA GLU 32 HA GLU 32 66.960 15.308 -11.224 241 HB2 GLU 32 HB2 GLU 32 69.153 15.268 -12.424 242 HB3 GLU 32 HB1 GLU 32 69.108 13.502 -12.388 243 HG2 GLU 32 HG2 GLU 32 68.203 13.968 -14.498 244 HG3 GLU 32 HG1 GLU 32 66.759 13.796 -13.503 245 H ASP 33 HN ASP 33 68.390 12.040 -10.751 246 HA ASP 33 HA ASP 33 65.669 10.862 -11.148 247 HB2 ASP 33 HB2 ASP 33 68.449 9.646 -11.199 248 HB3 ASP 33 HB1 ASP 33 66.957 8.810 -11.631 249 H GLY 34 HN GLY 34 68.347 11.067 -8.839 250 HA2 GLY 34 HA2 GLY 34 67.897 10.936 -6.444 251 HA3 GLY 34 HA1 GLY 34 66.568 9.829 -6.792 252 H SER 35 HN SER 35 70.060 9.914 -7.631 253 HA SER 35 HA SER 35 70.225 7.056 -6.728 254 HB2 SER 35 HB2 SER 35 72.121 6.995 -8.425 255 HB3 SER 35 HB1 SER 35 70.518 7.256 -9.110 256 HG SER 35 HG SER 35 71.569 8.891 -9.995 257 H ILE 36 HN ILE 36 71.991 6.494 -5.386 258 HA ILE 36 HA ILE 36 73.738 8.764 -4.472 259 HB ILE 36 HB ILE 36 72.631 6.478 -2.810 260 HG12 ILE 36 HG12 ILE 36 71.701 9.268 -2.367 261 HG13 ILE 36 HG11 ILE 36 71.083 8.466 -3.812 262 HG21 ILE 36 HG21 ILE 36 74.732 7.477 -1.984 263 HG22 ILE 36 HG22 ILE 36 73.383 7.876 -0.919 264 HG23 ILE 36 HG23 ILE 36 73.998 9.079 -2.053 265 HD11 ILE 36 HD11 ILE 36 70.735 6.455 -2.078 266 HD12 ILE 36 HD12 ILE 36 69.519 7.711 -2.305 267 HD13 ILE 36 HD13 ILE 36 70.633 7.800 -0.942 268 H SER 37 HN SER 37 75.898 8.188 -3.965 269 HA SER 37 HA SER 37 76.893 5.750 -5.293 270 HB2 SER 37 HB2 SER 37 78.026 7.903 -5.570 271 HB3 SER 37 HB1 SER 37 78.209 8.057 -3.825 272 HG SER 37 HG SER 37 80.074 7.139 -4.315 273 H THR 38 HN THR 38 78.474 4.353 -4.091 274 HA THR 38 HA THR 38 77.382 3.245 -1.693 275 HB THR 38 HB THR 38 79.588 2.035 -1.652 276 HG1 THR 38 HG1 THR 38 81.193 2.951 -2.613 277 HG21 THR 38 HG21 THR 38 79.356 1.243 -4.138 278 HG22 THR 38 HG22 THR 38 77.953 2.304 -4.164 279 HG23 THR 38 HG23 THR 38 78.023 0.964 -3.019 280 H LYS 39 HN LYS 39 79.891 5.707 -2.199 281 HA LYS 39 HA LYS 39 80.946 5.814 0.464 282 HB2 LYS 39 HB2 LYS 39 81.683 6.884 -1.808 283 HB3 LYS 39 HB1 LYS 39 80.610 8.207 -1.342 284 HG2 LYS 39 HG2 LYS 39 82.294 9.025 -0.085 285 HG3 LYS 39 HG1 LYS 39 82.102 7.622 0.969 286 HD2 LYS 39 HD2 LYS 39 84.409 7.677 0.252 287 HD3 LYS 39 HD1 LYS 39 83.617 6.342 -0.587 288 HE2 LYS 39 HE2 LYS 39 84.145 7.258 -2.589 289 HE3 LYS 39 HE1 LYS 39 83.297 8.752 -2.151 290 HZ1 LYS 39 HZ1 LYS 39 85.201 9.562 -1.032 291 HZ2 LYS 39 HZ2 LYS 39 85.755 8.991 -2.531 292 HZ3 LYS 39 HZ3 LYS 39 85.998 8.067 -1.127 293 H GLU 40 HN GLU 40 78.121 7.390 -1.027 294 HA GLU 40 HA GLU 40 77.529 8.927 1.430 295 HB2 GLU 40 HB2 GLU 40 76.428 8.646 -1.359 296 HB3 GLU 40 HB1 GLU 40 75.486 9.479 -0.121 297 HG2 GLU 40 HG2 GLU 40 77.844 10.684 0.300 298 HG3 GLU 40 HG1 GLU 40 78.058 10.281 -1.404 299 H LEU 41 HN LEU 41 76.664 5.865 0.009 300 HA LEU 41 HA LEU 41 74.055 5.515 1.101 301 HB2 LEU 41 HB2 LEU 41 75.832 4.098 -0.471 302 HB3 LEU 41 HB1 LEU 41 75.727 3.119 0.992 303 HG LEU 41 HG LEU 41 73.983 2.444 -0.605 304 HD11 LEU 41 HD11 LEU 41 73.646 2.829 2.039 305 HD12 LEU 41 HD12 LEU 41 72.358 2.213 1.002 306 HD13 LEU 41 HD13 LEU 41 72.395 3.921 1.440 307 HD21 LEU 41 HD21 LEU 41 72.782 5.211 -0.295 308 HD22 LEU 41 HD22 LEU 41 72.330 3.950 -1.442 309 HD23 LEU 41 HD23 LEU 41 73.860 4.805 -1.633 310 H GLY 42 HN GLY 42 77.266 5.099 2.567 311 HA2 GLY 42 HA2 GLY 42 76.530 3.614 4.864 312 HA3 GLY 42 HA1 GLY 42 77.858 4.776 4.820 313 H LYS 43 HN LYS 43 76.533 7.164 4.366 314 HA LYS 43 HA LYS 43 75.534 7.908 6.948 315 HB2 LYS 43 HB2 LYS 43 76.567 9.473 5.396 316 HB3 LYS 43 HB1 LYS 43 75.328 9.149 4.182 317 HG2 LYS 43 HG2 LYS 43 74.323 10.035 6.833 318 HG3 LYS 43 HG1 LYS 43 75.209 11.246 5.907 319 HD2 LYS 43 HD2 LYS 43 73.554 10.002 4.025 320 HD3 LYS 43 HD1 LYS 43 72.536 10.173 5.452 321 HE2 LYS 43 HE2 LYS 43 72.195 12.272 4.512 322 HE3 LYS 43 HE1 LYS 43 73.663 12.637 5.441 323 HZ1 LYS 43 HZ1 LYS 43 73.717 11.566 2.669 324 HZ2 LYS 43 HZ2 LYS 43 75.016 12.201 3.559 325 HZ3 LYS 43 HZ3 LYS 43 73.776 13.226 3.017 326 H VAL 44 HN VAL 44 73.872 7.069 3.907 327 HA VAL 44 HA VAL 44 71.188 7.694 4.596 328 HB VAL 44 HB VAL 44 72.608 5.766 2.779 329 HG11 VAL 44 HG11 VAL 44 69.619 5.797 3.298 330 HG12 VAL 44 HG12 VAL 44 70.711 4.415 3.397 331 HG13 VAL 44 HG13 VAL 44 70.336 5.136 1.829 332 HG21 VAL 44 HG21 VAL 44 71.596 8.406 2.628 333 HG22 VAL 44 HG22 VAL 44 70.565 7.416 1.592 334 HG23 VAL 44 HG23 VAL 44 72.308 7.452 1.327 335 H MET 45 HN MET 45 72.929 4.602 4.968 336 HA MET 45 HA MET 45 70.820 3.156 6.255 337 HB2 MET 45 HB2 MET 45 73.841 2.898 6.446 338 HB3 MET 45 HB1 MET 45 72.680 1.636 6.848 339 HG2 MET 45 HG2 MET 45 71.990 2.554 4.264 340 HG3 MET 45 HG1 MET 45 73.742 2.332 4.265 341 HE1 MET 45 HE1 MET 45 70.369 0.885 3.995 342 HE2 MET 45 HE2 MET 45 70.510 0.731 5.744 343 HE3 MET 45 HE3 MET 45 70.412 -0.721 4.752 344 H ARG 46 HN ARG 46 73.692 4.768 7.681 345 HA ARG 46 HA ARG 46 73.065 4.359 10.416 346 HB2 ARG 46 HB2 ARG 46 74.501 6.574 8.914 347 HB3 ARG 46 HB1 ARG 46 74.518 6.446 10.673 348 HG2 ARG 46 HG2 ARG 46 75.157 3.920 9.302 349 HG3 ARG 46 HG1 ARG 46 76.312 5.208 8.976 350 HD2 ARG 46 HD2 ARG 46 77.244 4.896 11.017 351 HD3 ARG 46 HD1 ARG 46 75.683 5.235 11.789 352 HE ARG 46 HE ARG 46 75.151 2.858 11.677 353 HH11 ARG 46 HH11 ARG 46 76.773 2.228 9.189 354 HH12 ARG 46 HH12 ARG 46 78.044 1.258 9.851 355 HH21 ARG 46 HH21 ARG 46 77.448 2.256 13.119 356 HH22 ARG 46 HH22 ARG 46 78.427 1.274 12.083 357 H MET 47 HN MET 47 72.056 6.987 8.218 358 HA MET 47 HA MET 47 70.616 8.570 10.139 359 HB2 MET 47 HB2 MET 47 71.419 9.243 7.876 360 HB3 MET 47 HB1 MET 47 70.198 8.196 7.156 361 HG2 MET 47 HG2 MET 47 68.515 9.561 8.621 362 HG3 MET 47 HG1 MET 47 69.819 10.748 8.711 363 HE1 MET 47 HE1 MET 47 67.203 9.561 5.181 364 HE2 MET 47 HE2 MET 47 66.972 9.291 6.908 365 HE3 MET 47 HE3 MET 47 68.158 8.335 6.025 366 H LEU 48 HN LEU 48 69.672 5.713 8.241 367 HA LEU 48 HA LEU 48 66.831 5.994 9.038 368 HB2 LEU 48 HB2 LEU 48 68.478 4.365 7.164 369 HB3 LEU 48 HB1 LEU 48 67.006 3.606 7.772 370 HG LEU 48 HG LEU 48 66.606 6.404 6.978 371 HD11 LEU 48 HD11 LEU 48 68.332 5.694 5.312 372 HD12 LEU 48 HD12 LEU 48 66.763 6.031 4.581 373 HD13 LEU 48 HD13 LEU 48 67.277 4.365 4.839 374 HD21 LEU 48 HD21 LEU 48 65.313 3.773 6.184 375 HD22 LEU 48 HD22 LEU 48 64.676 5.375 5.809 376 HD23 LEU 48 HD23 LEU 48 64.773 4.839 7.485 377 H GLY 49 HN GLY 49 69.562 4.868 10.594 378 HA2 GLY 49 HA2 GLY 49 69.510 3.854 12.763 379 HA3 GLY 49 HA1 GLY 49 67.933 3.164 12.387 380 H GLN 50 HN GLN 50 70.965 3.019 10.513 381 HA GLN 50 HA GLN 50 70.860 0.023 10.776 382 HB2 GLN 50 HB2 GLN 50 71.959 1.669 8.478 383 HB3 GLN 50 HB1 GLN 50 71.680 -0.069 8.495 384 HG2 GLN 50 HG2 GLN 50 69.413 1.868 8.955 385 HG3 GLN 50 HG1 GLN 50 69.920 1.429 7.320 386 HE21 GLN 50 HE21 GLN 50 68.220 0.285 10.176 387 HE22 GLN 50 HE22 GLN 50 67.818 -1.244 9.559 388 H ASN 51 HN ASN 51 72.945 -1.038 10.915 389 HA ASN 51 HA ASN 51 75.259 0.782 11.486 390 HB2 ASN 51 HB2 ASN 51 73.845 -0.268 13.448 391 HB3 ASN 51 HB1 ASN 51 74.743 -1.732 13.056 392 HD21 ASN 51 HD21 ASN 51 77.166 -1.584 13.205 393 HD22 ASN 51 HD22 ASN 51 77.861 -0.433 14.243 394 HA PRO 52 HA PRO 52 76.253 -2.987 8.777 395 HB2 PRO 52 HB2 PRO 52 76.594 -1.723 6.377 396 HB3 PRO 52 HB1 PRO 52 75.036 -2.389 6.902 397 HG2 PRO 52 HG2 PRO 52 75.996 0.426 6.927 398 HG3 PRO 52 HG1 PRO 52 74.386 -0.214 6.569 399 HD2 PRO 52 HD2 PRO 52 75.058 0.933 8.955 400 HD3 PRO 52 HD1 PRO 52 73.776 -0.282 8.761 401 H THR 53 HN THR 53 78.399 -3.393 7.856 402 HA THR 53 HA THR 53 80.485 -1.589 8.913 403 HB THR 53 HB THR 53 81.743 -3.687 7.629 404 HG1 THR 53 HG1 THR 53 80.461 -5.506 8.085 405 HG21 THR 53 HG21 THR 53 80.791 -3.108 10.375 406 HG22 THR 53 HG22 THR 53 82.423 -3.437 9.795 407 HG23 THR 53 HG23 THR 53 81.296 -4.769 10.064 408 HA PRO 54 HA PRO 54 81.097 0.431 5.063 409 HB2 PRO 54 HB2 PRO 54 83.746 1.117 5.321 410 HB3 PRO 54 HB1 PRO 54 82.429 1.951 6.172 411 HG2 PRO 54 HG2 PRO 54 84.268 -0.183 7.164 412 HG3 PRO 54 HG1 PRO 54 83.716 1.296 7.975 413 HD2 PRO 54 HD2 PRO 54 82.643 -1.115 8.520 414 HD3 PRO 54 HD1 PRO 54 81.674 0.376 8.552 415 H GLU 55 HN GLU 55 83.631 -1.942 5.986 416 HA GLU 55 HA GLU 55 84.532 -2.350 3.259 417 HB2 GLU 55 HB2 GLU 55 85.785 -4.217 4.272 418 HB3 GLU 55 HB1 GLU 55 85.922 -2.753 5.238 419 HG2 GLU 55 HG2 GLU 55 83.622 -4.372 6.039 420 HG3 GLU 55 HG1 GLU 55 85.137 -5.265 6.161 421 H GLU 56 HN GLU 56 81.945 -3.813 5.162 422 HA GLU 56 HA GLU 56 81.563 -5.978 3.159 423 HB2 GLU 56 HB2 GLU 56 80.551 -5.270 5.896 424 HB3 GLU 56 HB1 GLU 56 79.601 -6.377 4.903 425 HG2 GLU 56 HG2 GLU 56 81.071 -8.061 5.211 426 HG3 GLU 56 HG1 GLU 56 82.441 -7.020 4.830 427 H LEU 57 HN LEU 57 80.296 -2.827 3.977 428 HA LEU 57 HA LEU 57 77.663 -3.004 2.873 429 HB2 LEU 57 HB2 LEU 57 78.560 -1.186 4.309 430 HB3 LEU 57 HB1 LEU 57 79.615 -0.681 2.991 431 HG LEU 57 HG LEU 57 77.435 -0.502 1.594 432 HD11 LEU 57 HD11 LEU 57 75.821 -1.557 2.954 433 HD12 LEU 57 HD12 LEU 57 75.510 0.162 3.205 434 HD13 LEU 57 HD13 LEU 57 76.405 -0.757 4.415 435 HD21 LEU 57 HD21 LEU 57 78.683 1.289 3.532 436 HD22 LEU 57 HD22 LEU 57 76.987 1.691 3.258 437 HD23 LEU 57 HD23 LEU 57 78.109 1.631 1.899 438 H GLN 58 HN GLN 58 80.835 -2.405 1.346 439 HA GLN 58 HA GLN 58 80.042 -1.473 -1.189 440 HB2 GLN 58 HB2 GLN 58 82.368 -1.845 -0.205 441 HB3 GLN 58 HB1 GLN 58 82.186 -3.545 -0.639 442 HG2 GLN 58 HG2 GLN 58 83.325 -2.556 -2.476 443 HG3 GLN 58 HG1 GLN 58 81.652 -2.726 -3.009 444 HE21 GLN 58 HE21 GLN 58 80.790 -0.836 -3.925 445 HE22 GLN 58 HE22 GLN 58 81.334 0.734 -3.585 446 H GLU 59 HN GLU 59 80.501 -4.909 -0.206 447 HA GLU 59 HA GLU 59 79.433 -6.068 -2.613 448 HB2 GLU 59 HB2 GLU 59 80.800 -7.347 -1.083 449 HB3 GLU 59 HB1 GLU 59 79.704 -7.020 0.258 450 HG2 GLU 59 HG2 GLU 59 78.142 -8.189 -1.813 451 HG3 GLU 59 HG1 GLU 59 79.599 -9.168 -1.658 452 H MET 60 HN MET 60 77.942 -5.235 0.522 453 HA MET 60 HA MET 60 75.324 -6.228 0.140 454 HB2 MET 60 HB2 MET 60 76.757 -4.280 1.776 455 HB3 MET 60 HB1 MET 60 75.095 -3.776 1.480 456 HG2 MET 60 HG2 MET 60 75.840 -6.553 2.432 457 HG3 MET 60 HG1 MET 60 75.411 -5.239 3.527 458 HE1 MET 60 HE1 MET 60 71.924 -4.211 2.475 459 HE2 MET 60 HE2 MET 60 73.051 -3.919 1.150 460 HE3 MET 60 HE3 MET 60 73.573 -3.654 2.815 461 H ILE 61 HN ILE 61 76.783 -3.197 -1.044 462 HA ILE 61 HA ILE 61 74.236 -2.315 -2.253 463 HB ILE 61 HB ILE 61 77.042 -1.234 -1.934 464 HG12 ILE 61 HG12 ILE 61 74.291 -0.173 -1.209 465 HG13 ILE 61 HG11 ILE 61 75.372 -1.012 -0.103 466 HG21 ILE 61 HG21 ILE 61 75.852 0.865 -3.084 467 HG22 ILE 61 HG22 ILE 61 74.954 -0.405 -3.914 468 HG23 ILE 61 HG23 ILE 61 76.712 -0.337 -4.045 469 HD11 ILE 61 HD11 ILE 61 77.101 0.826 -0.752 470 HD12 ILE 61 HD12 ILE 61 75.800 1.260 0.353 471 HD13 ILE 61 HD13 ILE 61 75.702 1.717 -1.348 472 H ASP 62 HN ASP 62 77.486 -3.345 -3.382 473 HA ASP 62 HA ASP 62 76.964 -3.147 -6.190 474 HB2 ASP 62 HB2 ASP 62 78.916 -4.458 -4.361 475 HB3 ASP 62 HB1 ASP 62 78.860 -5.067 -6.014 476 H GLU 63 HN GLU 63 76.509 -5.906 -3.942 477 HA GLU 63 HA GLU 63 75.820 -7.865 -5.915 478 HB2 GLU 63 HB2 GLU 63 76.286 -7.900 -3.280 479 HB3 GLU 63 HB1 GLU 63 74.521 -7.865 -3.220 480 HG2 GLU 63 HG2 GLU 63 75.471 -9.740 -5.233 481 HG3 GLU 63 HG1 GLU 63 76.133 -10.123 -3.647 482 H VAL 64 HN VAL 64 73.759 -5.596 -4.066 483 HA VAL 64 HA VAL 64 71.281 -6.510 -5.284 484 HB VAL 64 HB VAL 64 72.060 -3.942 -3.854 485 HG11 VAL 64 HG11 VAL 64 70.032 -3.456 -4.974 486 HG12 VAL 64 HG12 VAL 64 69.524 -3.965 -3.365 487 HG13 VAL 64 HG13 VAL 64 69.402 -5.084 -4.723 488 HG21 VAL 64 HG21 VAL 64 72.366 -5.688 -2.303 489 HG22 VAL 64 HG22 VAL 64 71.037 -6.638 -2.969 490 HG23 VAL 64 HG23 VAL 64 70.695 -5.197 -2.011 491 H ASP 65 HN ASP 65 73.808 -4.265 -6.232 492 HA ASP 65 HA ASP 65 72.308 -2.691 -8.131 493 HB2 ASP 65 HB2 ASP 65 74.679 -2.409 -7.021 494 HB3 ASP 65 HB1 ASP 65 75.234 -3.384 -8.379 495 H GLU 66 HN GLU 66 71.074 -4.064 -9.488 496 HA GLU 66 HA GLU 66 72.273 -6.359 -10.867 497 HB2 GLU 66 HB2 GLU 66 69.628 -5.012 -10.599 498 HB3 GLU 66 HB1 GLU 66 69.878 -5.972 -12.059 499 HG2 GLU 66 HG2 GLU 66 70.658 -7.141 -9.402 500 HG3 GLU 66 HG1 GLU 66 68.955 -7.126 -9.863 501 H ASP 67 HN ASP 67 71.437 -3.000 -11.706 502 HA ASP 67 HA ASP 67 71.883 -3.306 -14.549 503 HB2 ASP 67 HB2 ASP 67 71.897 -0.784 -14.447 504 HB3 ASP 67 HB1 ASP 67 70.502 -1.529 -13.676 505 H GLY 68 HN GLY 68 74.067 -2.942 -11.857 506 HA2 GLY 68 HA2 GLY 68 76.417 -3.061 -11.845 507 HA3 GLY 68 HA1 GLY 68 76.366 -3.270 -13.593 508 H SER 69 HN SER 69 75.525 -0.630 -11.306 509 HA SER 69 HA SER 69 77.039 1.231 -13.117 510 HB2 SER 69 HB2 SER 69 75.411 2.904 -12.515 511 HB3 SER 69 HB1 SER 69 74.526 1.443 -12.946 512 HG SER 69 HG SER 69 74.800 2.731 -10.513 513 H GLY 70 HN GLY 70 76.551 0.176 -9.781 514 HA2 GLY 70 HA2 GLY 70 78.173 0.400 -8.032 515 HA3 GLY 70 HA1 GLY 70 78.994 1.638 -8.981 516 H THR 71 HN THR 71 75.564 1.947 -8.716 517 HA THR 71 HA THR 71 75.804 3.915 -6.478 518 HB THR 71 HB THR 71 74.409 5.460 -7.928 519 HG1 THR 71 HG1 THR 71 73.836 4.819 -9.846 520 HG21 THR 71 HG21 THR 71 76.943 5.571 -7.699 521 HG22 THR 71 HG22 THR 71 76.279 6.308 -9.158 522 HG23 THR 71 HG23 THR 71 77.034 4.717 -9.238 523 H VAL 72 HN VAL 72 74.016 3.835 -5.107 524 HA VAL 72 HA VAL 72 71.961 1.783 -5.604 525 HB VAL 72 HB VAL 72 72.448 3.757 -3.348 526 HG11 VAL 72 HG11 VAL 72 70.409 1.594 -3.768 527 HG12 VAL 72 HG12 VAL 72 70.219 3.174 -3.012 528 HG13 VAL 72 HG13 VAL 72 71.034 1.873 -2.144 529 HG21 VAL 72 HG21 VAL 72 74.270 2.167 -3.549 530 HG22 VAL 72 HG22 VAL 72 73.137 0.824 -3.728 531 HG23 VAL 72 HG23 VAL 72 73.267 1.672 -2.186 532 H ASP 73 HN ASP 73 69.911 2.181 -6.322 533 HA ASP 73 HA ASP 73 69.019 5.035 -6.570 534 HB2 ASP 73 HB2 ASP 73 67.671 4.035 -8.534 535 HB3 ASP 73 HB1 ASP 73 69.414 4.170 -8.754 536 H PHE 74 HN PHE 74 66.364 4.674 -7.143 537 HA PHE 74 HA PHE 74 65.166 4.149 -4.609 538 HB2 PHE 74 HB2 PHE 74 64.448 5.359 -6.933 539 HB3 PHE 74 HB1 PHE 74 63.510 3.867 -7.058 540 HD1 PHE 74 HD2 PHE 74 64.228 6.780 -4.855 541 HD2 PHE 74 HD1 PHE 74 61.605 3.483 -5.681 542 HE1 PHE 74 HE2 PHE 74 62.607 7.650 -3.192 543 HE2 PHE 74 HE1 PHE 74 59.984 4.351 -4.017 544 HZ PHE 74 HZ PHE 74 60.488 6.437 -2.770 545 H ASP 75 HN ASP 75 65.359 2.084 -7.537 546 HA ASP 75 HA ASP 75 63.777 -0.077 -6.454 547 HB2 ASP 75 HB2 ASP 75 64.976 0.646 -8.868 548 HB3 ASP 75 HB1 ASP 75 65.834 -0.820 -8.395 549 H GLU 76 HN GLU 76 67.317 0.483 -6.593 550 HA GLU 76 HA GLU 76 68.110 -2.017 -5.439 551 HB2 GLU 76 HB2 GLU 76 69.257 0.449 -6.314 552 HB3 GLU 76 HB1 GLU 76 69.912 0.090 -4.718 553 HG2 GLU 76 HG2 GLU 76 71.024 -1.767 -5.443 554 HG3 GLU 76 HG1 GLU 76 69.743 -2.215 -6.573 555 H PHE 77 HN PHE 77 67.471 1.164 -3.871 556 HA PHE 77 HA PHE 77 68.152 0.424 -1.201 557 HB2 PHE 77 HB2 PHE 77 67.701 2.727 -2.080 558 HB3 PHE 77 HB1 PHE 77 65.987 2.329 -2.170 559 HD1 PHE 77 HD1 PHE 77 68.757 1.963 0.380 560 HD2 PHE 77 HD2 PHE 77 64.702 3.140 -0.431 561 HE1 PHE 77 HE1 PHE 77 68.470 2.622 2.749 562 HE2 PHE 77 HE2 PHE 77 64.418 3.792 1.946 563 HZ PHE 77 HZ PHE 77 66.300 3.534 3.532 564 H LEU 78 HN LEU 78 65.024 0.121 -2.937 565 HA LEU 78 HA LEU 78 63.474 -0.837 -0.727 566 HB2 LEU 78 HB2 LEU 78 63.385 -0.924 -3.715 567 HB3 LEU 78 HB1 LEU 78 62.306 -2.015 -2.842 568 HG LEU 78 HG LEU 78 62.473 0.864 -2.002 569 HD11 LEU 78 HD11 LEU 78 60.317 0.940 -3.608 570 HD12 LEU 78 HD12 LEU 78 61.287 -0.220 -4.514 571 HD13 LEU 78 HD13 LEU 78 61.927 1.388 -4.176 572 HD21 LEU 78 HD21 LEU 78 60.296 0.454 -1.142 573 HD22 LEU 78 HD22 LEU 78 61.202 -1.013 -0.772 574 HD23 LEU 78 HD23 LEU 78 60.084 -0.986 -2.136 575 H VAL 79 HN VAL 79 65.381 -2.615 -3.180 576 HA VAL 79 HA VAL 79 64.836 -5.238 -2.019 577 HB VAL 79 HB VAL 79 66.894 -4.184 -3.997 578 HG11 VAL 79 HG11 VAL 79 66.116 -7.025 -3.268 579 HG12 VAL 79 HG12 VAL 79 67.704 -6.284 -3.076 580 HG13 VAL 79 HG13 VAL 79 67.064 -6.592 -4.689 581 HG21 VAL 79 HG21 VAL 79 65.187 -4.205 -5.468 582 HG22 VAL 79 HG22 VAL 79 64.083 -4.658 -4.172 583 HG23 VAL 79 HG23 VAL 79 64.892 -5.908 -5.116 584 H MET 80 HN MET 80 67.289 -2.744 -1.570 585 HA MET 80 HA MET 80 69.180 -4.435 -0.124 586 HB2 MET 80 HB2 MET 80 69.827 -2.438 -1.410 587 HB3 MET 80 HB1 MET 80 68.821 -1.431 -0.372 588 HG2 MET 80 HG2 MET 80 70.224 -1.834 1.532 589 HG3 MET 80 HG1 MET 80 71.094 -3.122 0.697 590 HE1 MET 80 HE1 MET 80 72.541 -1.455 2.157 591 HE2 MET 80 HE2 MET 80 72.188 0.262 1.967 592 HE3 MET 80 HE3 MET 80 73.679 -0.405 1.304 593 H MET 81 HN MET 81 66.505 -2.250 0.765 594 HA MET 81 HA MET 81 67.058 -2.070 3.578 595 HB2 MET 81 HB2 MET 81 64.917 -1.433 1.678 596 HB3 MET 81 HB1 MET 81 64.295 -1.895 3.264 597 HG2 MET 81 HG2 MET 81 66.516 0.128 2.908 598 HG3 MET 81 HG1 MET 81 64.814 0.582 2.976 599 HE1 MET 81 HE1 MET 81 67.921 0.306 4.840 600 HE2 MET 81 HE2 MET 81 67.282 0.892 6.376 601 HE3 MET 81 HE3 MET 81 66.920 1.763 4.887 602 H VAL 82 HN VAL 82 64.788 -4.235 1.801 603 HA VAL 82 HA VAL 82 63.854 -5.729 4.021 604 HB VAL 82 HB VAL 82 63.385 -7.500 2.313 605 HG11 VAL 82 HG11 VAL 82 62.081 -5.266 2.615 606 HG12 VAL 82 HG12 VAL 82 61.766 -6.253 1.187 607 HG13 VAL 82 HG13 VAL 82 62.799 -4.830 1.066 608 HG21 VAL 82 HG21 VAL 82 65.481 -7.204 0.998 609 HG22 VAL 82 HG22 VAL 82 64.884 -5.640 0.438 610 HG23 VAL 82 HG23 VAL 82 64.041 -7.121 -0.012 611 H ARG 83 HN ARG 83 66.887 -6.083 2.203 612 HA ARG 83 HA ARG 83 67.674 -8.628 3.307 613 HB2 ARG 83 HB2 ARG 83 68.770 -6.439 1.704 614 HB3 ARG 83 HB1 ARG 83 69.983 -7.137 2.777 615 HG2 ARG 83 HG2 ARG 83 69.865 -9.227 1.775 616 HG3 ARG 83 HG1 ARG 83 68.209 -8.985 1.224 617 HD2 ARG 83 HD2 ARG 83 68.992 -7.362 -0.464 618 HD3 ARG 83 HD1 ARG 83 70.664 -7.591 0.094 619 HE ARG 83 HE ARG 83 69.080 -9.961 -0.799 620 HH11 ARG 83 HH11 ARG 83 71.971 -10.084 0.005 621 HH12 ARG 83 HH12 ARG 83 72.771 -10.077 -1.532 622 HH21 ARG 83 HH21 ARG 83 69.977 -8.987 -3.263 623 HH22 ARG 83 HH22 ARG 83 71.638 -9.466 -3.386 624 H SER 84 HN SER 84 68.293 -5.251 4.321 625 HA SER 84 HA SER 84 69.915 -5.929 6.631 626 HB2 SER 84 HB2 SER 84 69.419 -3.706 5.164 627 HB3 SER 84 HB1 SER 84 68.347 -3.402 6.527 628 HG SER 84 HG SER 84 70.181 -2.670 7.326 629 H MET 85 HN MET 85 66.442 -5.471 6.099 630 HA MET 85 HA MET 85 65.607 -5.194 8.827 631 HB2 MET 85 HB2 MET 85 64.439 -4.941 6.451 632 HB3 MET 85 HB1 MET 85 63.954 -6.608 6.761 633 HG2 MET 85 HG2 MET 85 62.865 -5.977 8.828 634 HG3 MET 85 HG1 MET 85 63.502 -4.335 8.716 635 HE1 MET 85 HE1 MET 85 62.163 -2.352 7.372 636 HE2 MET 85 HE2 MET 85 61.899 -2.805 5.693 637 HE3 MET 85 HE3 MET 85 63.436 -3.177 6.468 638 H LYS 86 HN LYS 86 66.577 -8.044 6.981 639 HA LYS 86 HA LYS 86 65.337 -9.955 8.841 640 HB2 LYS 86 HB2 LYS 86 66.133 -10.012 6.240 641 HB3 LYS 86 HB1 LYS 86 67.529 -10.772 7.001 642 HG2 LYS 86 HG2 LYS 86 64.700 -11.643 7.620 643 HG3 LYS 86 HG1 LYS 86 65.619 -12.332 6.279 644 HD2 LYS 86 HD2 LYS 86 67.477 -12.733 8.064 645 HD3 LYS 86 HD1 LYS 86 66.174 -12.517 9.235 646 HE2 LYS 86 HE2 LYS 86 64.975 -14.393 8.424 647 HE3 LYS 86 HE1 LYS 86 65.897 -14.427 6.906 648 HZ1 LYS 86 HZ1 LYS 86 67.791 -15.186 7.965 649 HZ2 LYS 86 HZ2 LYS 86 66.576 -16.034 8.796 650 HZ3 LYS 86 HZ3 LYS 86 67.291 -14.662 9.499 651 H ASP 87 HN ASP 87 66.711 -8.446 10.559 652 HA ASP 87 HA ASP 87 68.796 -10.211 11.608 653 HB2 ASP 87 HB2 ASP 87 69.899 -8.860 9.777 654 HB3 ASP 87 HB1 ASP 87 69.549 -7.409 10.714 655 H ASP 88 HN ASP 88 69.172 -9.781 13.815 656 HA ASP 88 HA ASP 88 67.601 -7.516 15.007 657 HB2 ASP 88 HB2 ASP 88 66.955 -10.097 15.199 658 HB3 ASP 88 HB1 ASP 88 68.172 -10.069 16.476 659 H SER 89 HN SER 89 69.860 -6.479 14.638 660 HA SER 89 HA SER 89 71.584 -7.021 17.038 661 HB2 SER 89 HB2 SER 89 72.311 -6.317 14.178 662 HB3 SER 89 HB1 SER 89 73.467 -6.277 15.507 663 HG SER 89 HG SER 89 72.222 -8.439 14.254 Start of MODEL 8 1 H1 MET 1 HT1 MET 1 65.452 -13.242 -10.017 2 H2 MET 1 HT2 MET 1 65.690 -14.547 -11.072 3 H3 MET 1 HT3 MET 1 66.491 -14.501 -9.569 4 HA MET 1 HA MET 1 63.559 -14.800 -10.005 5 HB2 MET 1 HB2 MET 1 65.451 -16.655 -10.357 6 HB3 MET 1 HB1 MET 1 65.346 -16.751 -8.598 7 HG2 MET 1 HG2 MET 1 62.845 -16.810 -10.282 8 HG3 MET 1 HG1 MET 1 63.784 -18.279 -10.014 9 HE1 MET 1 HE1 MET 1 61.262 -18.490 -9.542 10 HE2 MET 1 HE2 MET 1 60.540 -18.321 -7.941 11 HE3 MET 1 HE3 MET 1 61.701 -19.611 -8.246 12 H ASP 2 HN ASP 2 62.467 -13.805 -8.376 13 HA ASP 2 HA ASP 2 63.386 -14.061 -5.575 14 HB2 ASP 2 HB2 ASP 2 63.143 -11.472 -5.420 15 HB3 ASP 2 HB1 ASP 2 64.606 -12.108 -6.167 16 H ASP 3 HN ASP 3 61.058 -15.074 -6.960 17 HA ASP 3 HA ASP 3 58.720 -13.458 -6.748 18 HB2 ASP 3 HB2 ASP 3 59.476 -16.277 -7.087 19 HB3 ASP 3 HB1 ASP 3 57.910 -16.071 -6.297 20 H ILE 4 HN ILE 4 60.108 -15.764 -4.372 21 HA ILE 4 HA ILE 4 58.113 -15.284 -2.351 22 HB ILE 4 HB ILE 4 59.596 -17.276 -2.567 23 HG12 ILE 4 HG12 ILE 4 60.504 -16.953 -0.023 24 HG13 ILE 4 HG11 ILE 4 59.287 -15.680 -0.097 25 HG21 ILE 4 HG21 ILE 4 61.956 -16.990 -1.638 26 HG22 ILE 4 HG22 ILE 4 61.731 -15.256 -1.851 27 HG23 ILE 4 HG23 ILE 4 61.679 -16.330 -3.248 28 HD11 ILE 4 HD11 ILE 4 58.796 -18.390 0.360 29 HD12 ILE 4 HD12 ILE 4 58.348 -18.152 -1.329 30 HD13 ILE 4 HD13 ILE 4 57.591 -17.175 -0.072 31 H TYR 5 HN TYR 5 61.231 -13.756 -3.148 32 HA TYR 5 HA TYR 5 61.375 -12.107 -0.754 33 HB2 TYR 5 HB2 TYR 5 63.260 -12.830 -2.324 34 HB3 TYR 5 HB1 TYR 5 62.649 -11.638 -3.469 35 HD1 TYR 5 HD1 TYR 5 63.071 -11.605 0.268 36 HD2 TYR 5 HD2 TYR 5 64.040 -9.773 -3.494 37 HE1 TYR 5 HE1 TYR 5 64.299 -9.811 1.459 38 HE2 TYR 5 HE2 TYR 5 65.267 -7.980 -2.302 39 HH TYR 5 HH TYR 5 64.941 -7.060 0.485 40 H LYS 6 HN LYS 6 60.072 -11.693 -4.038 41 HA LYS 6 HA LYS 6 59.538 -8.911 -4.049 42 HB2 LYS 6 HB2 LYS 6 59.225 -10.961 -5.758 43 HB3 LYS 6 HB1 LYS 6 57.558 -10.845 -5.192 44 HG2 LYS 6 HG2 LYS 6 57.264 -8.703 -6.053 45 HG3 LYS 6 HG1 LYS 6 58.987 -8.332 -6.001 46 HD2 LYS 6 HD2 LYS 6 58.253 -8.638 -8.321 47 HD3 LYS 6 HD1 LYS 6 59.370 -9.923 -7.866 48 HE2 LYS 6 HE2 LYS 6 56.975 -11.049 -7.136 49 HE3 LYS 6 HE1 LYS 6 56.492 -10.098 -8.552 50 HZ1 LYS 6 HZ1 LYS 6 58.546 -11.009 -9.651 51 HZ2 LYS 6 HZ2 LYS 6 57.291 -12.125 -9.394 52 HZ3 LYS 6 HZ3 LYS 6 58.646 -12.120 -8.371 53 H ALA 7 HN ALA 7 57.741 -11.579 -2.546 54 HA ALA 7 HA ALA 7 55.288 -10.320 -1.918 55 HB1 ALA 7 HB1 ALA 7 55.158 -12.055 -0.199 56 HB2 ALA 7 HB2 ALA 7 56.907 -12.271 -0.248 57 HB3 ALA 7 HB3 ALA 7 55.923 -12.722 -1.639 58 H ALA 8 HN ALA 8 58.454 -9.992 -0.321 59 HA ALA 8 HA ALA 8 57.706 -8.817 2.141 60 HB1 ALA 8 HB1 ALA 8 59.992 -9.421 1.664 61 HB2 ALA 8 HB2 ALA 8 59.982 -7.671 1.881 62 HB3 ALA 8 HB3 ALA 8 60.045 -8.356 0.258 63 H VAL 9 HN VAL 9 58.465 -7.089 -0.926 64 HA VAL 9 HA VAL 9 57.740 -4.474 0.007 65 HB VAL 9 HB VAL 9 57.832 -5.765 -2.742 66 HG11 VAL 9 HG11 VAL 9 56.406 -3.702 -2.685 67 HG12 VAL 9 HG12 VAL 9 57.856 -3.506 -3.669 68 HG13 VAL 9 HG13 VAL 9 57.788 -2.808 -2.050 69 HG21 VAL 9 HG21 VAL 9 60.059 -5.310 -2.738 70 HG22 VAL 9 HG22 VAL 9 59.877 -5.255 -0.984 71 HG23 VAL 9 HG23 VAL 9 59.841 -3.763 -1.927 72 H GLU 10 HN GLU 10 55.866 -6.990 -1.706 73 HA GLU 10 HA GLU 10 53.467 -5.455 -2.077 74 HB2 GLU 10 HB2 GLU 10 54.343 -8.305 -2.139 75 HB3 GLU 10 HB1 GLU 10 52.606 -8.015 -2.016 76 HG2 GLU 10 HG2 GLU 10 54.167 -6.435 -4.024 77 HG3 GLU 10 HG1 GLU 10 53.801 -8.122 -4.388 78 H GLN 11 HN GLN 11 54.562 -7.581 0.566 79 HA GLN 11 HA GLN 11 52.058 -7.342 2.067 80 HB2 GLN 11 HB2 GLN 11 54.691 -8.687 2.239 81 HB3 GLN 11 HB1 GLN 11 53.937 -8.323 3.790 82 HG2 GLN 11 HG2 GLN 11 52.546 -10.070 3.519 83 HG3 GLN 11 HG1 GLN 11 51.905 -9.328 2.053 84 HE21 GLN 11 HE21 GLN 11 54.578 -11.420 3.215 85 HE22 GLN 11 HE22 GLN 11 54.808 -12.211 1.731 86 H LEU 12 HN LEU 12 55.043 -5.522 1.861 87 HA LEU 12 HA LEU 12 55.175 -4.325 4.438 88 HB2 LEU 12 HB2 LEU 12 56.025 -3.677 1.644 89 HB3 LEU 12 HB1 LEU 12 56.136 -2.391 2.843 90 HG LEU 12 HG LEU 12 57.343 -5.152 3.182 91 HD11 LEU 12 HD11 LEU 12 58.226 -2.932 1.617 92 HD12 LEU 12 HD12 LEU 12 59.084 -4.434 1.951 93 HD13 LEU 12 HD13 LEU 12 59.282 -3.048 3.025 94 HD21 LEU 12 HD21 LEU 12 57.060 -2.745 4.893 95 HD22 LEU 12 HD22 LEU 12 58.664 -3.475 4.874 96 HD23 LEU 12 HD23 LEU 12 57.262 -4.438 5.353 97 H THR 13 HN THR 13 53.977 -2.668 5.397 98 HA THR 13 HA THR 13 51.444 -1.863 4.232 99 HB THR 13 HB THR 13 51.477 -0.339 6.295 100 HG1 THR 13 HG1 THR 13 53.193 -0.936 7.761 101 HG21 THR 13 HG21 THR 13 52.171 -3.042 7.268 102 HG22 THR 13 HG22 THR 13 50.925 -2.985 6.021 103 HG23 THR 13 HG23 THR 13 50.708 -2.092 7.525 104 H GLU 14 HN GLU 14 50.815 0.296 3.633 105 HA GLU 14 HA GLU 14 52.518 1.713 1.871 106 HB2 GLU 14 HB2 GLU 14 49.884 1.702 2.595 107 HB3 GLU 14 HB1 GLU 14 50.402 3.238 3.286 108 HG2 GLU 14 HG2 GLU 14 51.179 2.532 0.469 109 HG3 GLU 14 HG1 GLU 14 49.564 3.157 0.798 110 H GLU 15 HN GLU 15 51.912 2.235 5.342 111 HA GLU 15 HA GLU 15 53.208 4.736 5.671 112 HB2 GLU 15 HB2 GLU 15 52.752 2.303 7.405 113 HB3 GLU 15 HB1 GLU 15 53.571 3.730 8.044 114 HG2 GLU 15 HG2 GLU 15 50.794 3.674 6.809 115 HG3 GLU 15 HG1 GLU 15 51.162 3.857 8.523 116 H GLN 16 HN GLN 16 54.594 1.429 5.822 117 HA GLN 16 HA GLN 16 57.293 2.166 6.442 118 HB2 GLN 16 HB2 GLN 16 56.093 -0.144 4.872 119 HB3 GLN 16 HB1 GLN 16 57.754 -0.112 5.464 120 HG2 GLN 16 HG2 GLN 16 55.339 0.223 7.259 121 HG3 GLN 16 HG1 GLN 16 56.102 -1.336 6.959 122 HE21 GLN 16 HE21 GLN 16 58.505 -1.474 7.593 123 HE22 GLN 16 HE22 GLN 16 59.037 -0.520 8.892 124 H LYS 17 HN LYS 17 55.631 1.701 3.319 125 HA LYS 17 HA LYS 17 57.892 2.216 1.615 126 HB2 LYS 17 HB2 LYS 17 54.899 2.230 1.410 127 HB3 LYS 17 HB1 LYS 17 55.843 2.866 0.059 128 HG2 LYS 17 HG2 LYS 17 56.849 0.805 -0.382 129 HG3 LYS 17 HG1 LYS 17 56.590 0.218 1.262 130 HD2 LYS 17 HD2 LYS 17 54.027 0.573 0.520 131 HD3 LYS 17 HD1 LYS 17 54.737 0.221 -1.058 132 HE2 LYS 17 HE2 LYS 17 55.790 -1.841 -0.069 133 HE3 LYS 17 HE1 LYS 17 54.903 -1.509 1.436 134 HZ1 LYS 17 HZ1 LYS 17 53.655 -2.964 -0.077 135 HZ2 LYS 17 HZ2 LYS 17 53.654 -1.732 -1.248 136 HZ3 LYS 17 HZ3 LYS 17 52.849 -1.505 0.231 137 H ASN 18 HN ASN 18 55.458 4.356 3.093 138 HA ASN 18 HA ASN 18 56.264 6.746 1.668 139 HB2 ASN 18 HB2 ASN 18 54.279 7.348 2.556 140 HB3 ASN 18 HB1 ASN 18 54.250 5.863 3.499 141 HD21 ASN 18 HD21 ASN 18 54.684 6.034 5.778 142 HD22 ASN 18 HD22 ASN 18 55.002 7.515 6.545 143 H GLU 19 HN GLU 19 57.095 5.417 4.905 144 HA GLU 19 HA GLU 19 58.673 7.689 5.715 145 HB2 GLU 19 HB2 GLU 19 59.407 6.230 7.508 146 HB3 GLU 19 HB1 GLU 19 57.701 5.923 7.203 147 HG2 GLU 19 HG2 GLU 19 58.084 3.789 6.533 148 HG3 GLU 19 HG1 GLU 19 59.525 4.228 5.624 149 H PHE 20 HN PHE 20 59.486 4.755 3.874 150 HA PHE 20 HA PHE 20 62.361 5.217 3.879 151 HB2 PHE 20 HB2 PHE 20 60.420 3.591 2.211 152 HB3 PHE 20 HB1 PHE 20 62.159 3.557 1.923 153 HD1 PHE 20 HD1 PHE 20 63.053 3.861 4.827 154 HD2 PHE 20 HD2 PHE 20 60.095 1.349 2.983 155 HE1 PHE 20 HE1 PHE 20 63.304 2.215 6.661 156 HE2 PHE 20 HE2 PHE 20 60.349 -0.294 4.816 157 HZ PHE 20 HZ PHE 20 61.951 0.137 6.658 158 H LYS 21 HN LYS 21 59.671 6.038 1.697 159 HA LYS 21 HA LYS 21 61.240 7.205 -0.417 160 HB2 LYS 21 HB2 LYS 21 58.864 6.496 -0.560 161 HB3 LYS 21 HB1 LYS 21 58.419 7.768 0.575 162 HG2 LYS 21 HG2 LYS 21 59.985 8.765 -1.703 163 HG3 LYS 21 HG1 LYS 21 58.454 8.028 -2.181 164 HD2 LYS 21 HD2 LYS 21 57.524 9.462 -0.137 165 HD3 LYS 21 HD1 LYS 21 58.946 10.446 -0.486 166 HE2 LYS 21 HE2 LYS 21 57.347 9.663 -2.868 167 HE3 LYS 21 HE1 LYS 21 56.561 10.798 -1.754 168 HZ1 LYS 21 HZ1 LYS 21 59.338 11.091 -2.780 169 HZ2 LYS 21 HZ2 LYS 21 58.501 12.193 -1.798 170 HZ3 LYS 21 HZ3 LYS 21 57.997 11.927 -3.396 171 H ALA 22 HN ALA 22 59.607 8.628 2.440 172 HA ALA 22 HA ALA 22 60.275 11.354 2.032 173 HB1 ALA 22 HB1 ALA 22 58.717 10.500 3.733 174 HB2 ALA 22 HB2 ALA 22 59.967 11.478 4.504 175 HB3 ALA 22 HB3 ALA 22 60.049 9.716 4.583 176 H ALA 23 HN ALA 23 62.140 8.777 3.683 177 HA ALA 23 HA ALA 23 64.346 10.419 4.505 178 HB1 ALA 23 HB1 ALA 23 64.638 8.419 5.526 179 HB2 ALA 23 HB2 ALA 23 65.276 7.809 4.001 180 HB3 ALA 23 HB3 ALA 23 63.565 7.619 4.380 181 H PHE 24 HN PHE 24 63.989 8.269 1.643 182 HA PHE 24 HA PHE 24 66.471 8.835 0.392 183 HB2 PHE 24 HB2 PHE 24 64.276 7.287 -0.076 184 HB3 PHE 24 HB1 PHE 24 64.080 8.511 -1.331 185 HD1 PHE 24 HD2 PHE 24 66.462 6.003 0.066 186 HD2 PHE 24 HD1 PHE 24 65.490 8.549 -3.248 187 HE1 PHE 24 HE2 PHE 24 68.216 4.895 -1.303 188 HE2 PHE 24 HE1 PHE 24 67.238 7.447 -4.616 189 HZ PHE 24 HZ PHE 24 68.600 5.615 -3.642 190 H ASP 25 HN ASP 25 63.340 10.559 0.112 191 HA ASP 25 HA ASP 25 64.036 12.418 -1.921 192 HB2 ASP 25 HB2 ASP 25 62.053 12.150 0.268 193 HB3 ASP 25 HB1 ASP 25 62.300 13.790 -0.328 194 H ILE 26 HN ILE 26 64.904 12.421 1.521 195 HA ILE 26 HA ILE 26 65.571 15.196 1.784 196 HB ILE 26 HB ILE 26 66.559 12.678 3.152 197 HG12 ILE 26 HG12 ILE 26 64.765 14.838 4.261 198 HG13 ILE 26 HG11 ILE 26 64.101 13.537 3.274 199 HG21 ILE 26 HG21 ILE 26 67.276 14.312 4.967 200 HG22 ILE 26 HG22 ILE 26 67.072 15.599 3.779 201 HG23 ILE 26 HG23 ILE 26 68.272 14.335 3.513 202 HD11 ILE 26 HD11 ILE 26 63.930 12.497 5.303 203 HD12 ILE 26 HD12 ILE 26 65.234 13.447 6.015 204 HD13 ILE 26 HD13 ILE 26 65.612 12.080 4.969 205 H PHE 27 HN PHE 27 67.518 12.441 0.575 206 HA PHE 27 HA PHE 27 69.785 14.335 0.113 207 HB2 PHE 27 HB2 PHE 27 70.412 11.638 -0.668 208 HB3 PHE 27 HB1 PHE 27 71.106 12.593 0.635 209 HD1 PHE 27 HD2 PHE 27 69.681 12.735 2.837 210 HD2 PHE 27 HD1 PHE 27 69.182 9.704 -0.162 211 HE1 PHE 27 HE2 PHE 27 68.588 11.266 4.508 212 HE2 PHE 27 HE1 PHE 27 68.091 8.232 1.511 213 HZ PHE 27 HZ PHE 27 67.793 9.011 3.844 214 H VAL 28 HN VAL 28 67.221 12.798 -1.607 215 HA VAL 28 HA VAL 28 68.404 12.475 -4.195 216 HB VAL 28 HB VAL 28 65.635 12.990 -3.109 217 HG11 VAL 28 HG11 VAL 28 66.452 12.734 -6.019 218 HG12 VAL 28 HG12 VAL 28 65.574 14.068 -5.273 219 HG13 VAL 28 HG13 VAL 28 64.803 12.493 -5.442 220 HG21 VAL 28 HG21 VAL 28 65.406 10.724 -3.266 221 HG22 VAL 28 HG22 VAL 28 67.169 10.739 -3.251 222 HG23 VAL 28 HG23 VAL 28 66.302 10.638 -4.782 223 H GLN 29 HN GLN 29 67.241 15.335 -2.474 224 HA GLN 29 HA GLN 29 66.897 17.174 -4.599 225 HB2 GLN 29 HB2 GLN 29 67.505 18.864 -2.817 226 HB3 GLN 29 HB1 GLN 29 66.286 17.695 -2.317 227 HG2 GLN 29 HG2 GLN 29 67.597 16.979 -0.635 228 HG3 GLN 29 HG1 GLN 29 68.924 16.659 -1.751 229 HE21 GLN 29 HE21 GLN 29 68.382 18.324 0.995 230 HE22 GLN 29 HE22 GLN 29 69.380 19.675 0.743 231 H GLY 30 HN GLY 30 69.898 15.948 -3.170 232 HA2 GLY 30 HA2 GLY 30 71.476 17.808 -4.898 233 HA3 GLY 30 HA1 GLY 30 72.115 16.936 -3.501 234 H ALA 31 HN ALA 31 70.107 15.626 -6.133 235 HA ALA 31 HA ALA 31 72.433 14.038 -7.131 236 HB1 ALA 31 HB1 ALA 31 71.141 12.837 -5.320 237 HB2 ALA 31 HB2 ALA 31 71.142 11.992 -6.869 238 HB3 ALA 31 HB3 ALA 31 69.723 12.909 -6.361 239 H GLU 32 HN GLU 32 72.452 14.299 -9.321 240 HA GLU 32 HA GLU 32 70.281 15.472 -10.813 241 HB2 GLU 32 HB2 GLU 32 72.954 15.177 -11.141 242 HB3 GLU 32 HB1 GLU 32 72.391 13.880 -12.191 243 HG2 GLU 32 HG2 GLU 32 72.537 15.850 -13.555 244 HG3 GLU 32 HG1 GLU 32 70.824 15.571 -13.256 245 H ASP 33 HN ASP 33 71.328 12.097 -10.324 246 HA ASP 33 HA ASP 33 69.065 11.179 -12.065 247 HB2 ASP 33 HB2 ASP 33 71.822 10.458 -11.729 248 HB3 ASP 33 HB1 ASP 33 70.826 9.072 -11.290 249 H GLY 34 HN GLY 34 69.250 11.918 -8.952 250 HA2 GLY 34 HA2 GLY 34 68.180 11.160 -7.004 251 HA3 GLY 34 HA1 GLY 34 67.201 10.151 -8.069 252 H SER 35 HN SER 35 70.729 9.938 -7.751 253 HA SER 35 HA SER 35 70.391 7.278 -6.395 254 HB2 SER 35 HB2 SER 35 71.811 8.093 -8.905 255 HB3 SER 35 HB1 SER 35 72.471 6.765 -7.958 256 HG SER 35 HG SER 35 69.936 7.011 -9.189 257 H ILE 36 HN ILE 36 71.954 6.826 -4.821 258 HA ILE 36 HA ILE 36 73.847 9.057 -4.173 259 HB ILE 36 HB ILE 36 72.748 6.776 -2.494 260 HG12 ILE 36 HG12 ILE 36 71.982 9.616 -2.011 261 HG13 ILE 36 HG11 ILE 36 71.277 8.842 -3.431 262 HG21 ILE 36 HG21 ILE 36 73.533 8.378 -0.629 263 HG22 ILE 36 HG22 ILE 36 74.479 9.176 -1.885 264 HG23 ILE 36 HG23 ILE 36 74.782 7.482 -1.494 265 HD11 ILE 36 HD11 ILE 36 69.719 8.112 -1.928 266 HD12 ILE 36 HD12 ILE 36 70.811 8.294 -0.558 267 HD13 ILE 36 HD13 ILE 36 70.929 6.873 -1.592 268 H SER 37 HN SER 37 76.040 8.552 -3.689 269 HA SER 37 HA SER 37 77.088 6.160 -5.039 270 HB2 SER 37 HB2 SER 37 78.070 8.492 -5.134 271 HB3 SER 37 HB1 SER 37 78.517 8.309 -3.440 272 HG SER 37 HG SER 37 79.890 7.534 -5.515 273 H THR 38 HN THR 38 78.867 4.903 -3.811 274 HA THR 38 HA THR 38 77.734 3.653 -1.473 275 HB THR 38 HB THR 38 79.906 2.441 -1.461 276 HG1 THR 38 HG1 THR 38 81.586 3.238 -2.461 277 HG21 THR 38 HG21 THR 38 78.041 2.608 -3.614 278 HG22 THR 38 HG22 THR 38 79.031 1.228 -3.135 279 HG23 THR 38 HG23 THR 38 79.649 2.392 -4.306 280 H LYS 39 HN LYS 39 80.395 6.006 -1.893 281 HA LYS 39 HA LYS 39 81.237 6.127 0.839 282 HB2 LYS 39 HB2 LYS 39 82.365 7.039 -1.240 283 HB3 LYS 39 HB1 LYS 39 81.195 8.357 -1.209 284 HG2 LYS 39 HG2 LYS 39 81.927 8.937 1.084 285 HG3 LYS 39 HG1 LYS 39 83.143 7.660 1.004 286 HD2 LYS 39 HD2 LYS 39 83.840 8.907 -1.228 287 HD3 LYS 39 HD1 LYS 39 83.039 10.277 -0.454 288 HE2 LYS 39 HE2 LYS 39 85.086 8.637 1.055 289 HE3 LYS 39 HE1 LYS 39 85.576 9.982 0.005 290 HZ1 LYS 39 HZ1 LYS 39 85.139 10.751 2.268 291 HZ2 LYS 39 HZ2 LYS 39 83.554 10.146 2.186 292 HZ3 LYS 39 HZ3 LYS 39 84.033 11.426 1.175 293 H GLU 40 HN GLU 40 78.598 7.760 -0.891 294 HA GLU 40 HA GLU 40 77.944 9.469 1.427 295 HB2 GLU 40 HB2 GLU 40 77.067 9.112 -1.414 296 HB3 GLU 40 HB1 GLU 40 75.947 9.893 -0.298 297 HG2 GLU 40 HG2 GLU 40 78.832 10.765 -0.472 298 HG3 GLU 40 HG1 GLU 40 77.619 11.408 -1.578 299 H LEU 41 HN LEU 41 77.032 6.358 0.146 300 HA LEU 41 HA LEU 41 74.380 6.108 1.175 301 HB2 LEU 41 HB2 LEU 41 76.170 4.609 -0.289 302 HB3 LEU 41 HB1 LEU 41 76.077 3.705 1.220 303 HG LEU 41 HG LEU 41 74.373 2.957 -0.432 304 HD11 LEU 41 HD11 LEU 41 72.766 2.632 1.180 305 HD12 LEU 41 HD12 LEU 41 72.773 4.323 1.685 306 HD13 LEU 41 HD13 LEU 41 74.057 3.236 2.216 307 HD21 LEU 41 HD21 LEU 41 72.976 4.400 -1.504 308 HD22 LEU 41 HD22 LEU 41 74.155 5.624 -1.043 309 HD23 LEU 41 HD23 LEU 41 72.713 5.373 -0.057 310 H GLY 42 HN GLY 42 77.561 5.626 2.703 311 HA2 GLY 42 HA2 GLY 42 76.754 4.287 5.065 312 HA3 GLY 42 HA1 GLY 42 78.125 5.399 4.977 313 H LYS 43 HN LYS 43 76.782 7.758 4.291 314 HA LYS 43 HA LYS 43 75.877 8.746 6.823 315 HB2 LYS 43 HB2 LYS 43 76.890 9.940 4.784 316 HB3 LYS 43 HB1 LYS 43 75.269 9.882 4.081 317 HG2 LYS 43 HG2 LYS 43 74.350 11.200 5.856 318 HG3 LYS 43 HG1 LYS 43 75.813 11.033 6.825 319 HD2 LYS 43 HD2 LYS 43 76.000 13.191 5.891 320 HD3 LYS 43 HD1 LYS 43 77.024 12.194 4.861 321 HE2 LYS 43 HE2 LYS 43 74.810 11.901 3.438 322 HE3 LYS 43 HE1 LYS 43 74.340 13.409 4.250 323 HZ1 LYS 43 HZ1 LYS 43 76.886 12.935 2.783 324 HZ2 LYS 43 HZ2 LYS 43 76.472 14.368 3.597 325 HZ3 LYS 43 HZ3 LYS 43 75.589 13.879 2.232 326 H VAL 44 HN VAL 44 74.102 7.733 3.886 327 HA VAL 44 HA VAL 44 71.458 8.379 4.811 328 HB VAL 44 HB VAL 44 72.595 6.376 2.827 329 HG11 VAL 44 HG11 VAL 44 69.690 7.197 3.153 330 HG12 VAL 44 HG12 VAL 44 70.348 5.641 3.663 331 HG13 VAL 44 HG13 VAL 44 70.341 6.077 1.954 332 HG21 VAL 44 HG21 VAL 44 71.471 8.094 1.251 333 HG22 VAL 44 HG22 VAL 44 72.968 8.576 2.048 334 HG23 VAL 44 HG23 VAL 44 71.417 9.151 2.661 335 H MET 45 HN MET 45 73.390 5.366 4.997 336 HA MET 45 HA MET 45 71.379 3.744 6.249 337 HB2 MET 45 HB2 MET 45 74.414 3.677 6.211 338 HB3 MET 45 HB1 MET 45 73.437 2.395 6.918 339 HG2 MET 45 HG2 MET 45 72.631 3.188 4.192 340 HG3 MET 45 HG1 MET 45 74.217 2.434 4.309 341 HE1 MET 45 HE1 MET 45 70.127 0.716 5.365 342 HE2 MET 45 HE2 MET 45 70.536 2.321 4.760 343 HE3 MET 45 HE3 MET 45 70.883 1.904 6.437 344 H ARG 46 HN ARG 46 74.082 5.648 7.677 345 HA ARG 46 HA ARG 46 73.636 5.008 10.406 346 HB2 ARG 46 HB2 ARG 46 75.175 6.816 8.847 347 HB3 ARG 46 HB1 ARG 46 74.350 7.782 10.072 348 HG2 ARG 46 HG2 ARG 46 75.774 5.216 10.787 349 HG3 ARG 46 HG1 ARG 46 76.627 6.758 10.730 350 HD2 ARG 46 HD2 ARG 46 75.757 7.400 12.728 351 HD3 ARG 46 HD1 ARG 46 74.111 6.950 12.230 352 HE ARG 46 HE ARG 46 74.503 4.715 13.036 353 HH11 ARG 46 HH11 ARG 46 75.931 6.430 15.161 354 HH12 ARG 46 HH12 ARG 46 77.401 5.538 15.356 355 HH21 ARG 46 HH21 ARG 46 76.956 3.676 12.467 356 HH22 ARG 46 HH22 ARG 46 77.984 3.980 13.823 357 H MET 47 HN MET 47 71.991 7.365 8.321 358 HA MET 47 HA MET 47 70.527 8.717 10.416 359 HB2 MET 47 HB2 MET 47 71.081 9.341 7.929 360 HB3 MET 47 HB1 MET 47 69.611 8.440 7.556 361 HG2 MET 47 HG2 MET 47 68.307 9.868 9.043 362 HG3 MET 47 HG1 MET 47 69.766 10.725 9.542 363 HE1 MET 47 HE1 MET 47 67.146 11.249 5.945 364 HE2 MET 47 HE2 MET 47 66.756 11.649 7.616 365 HE3 MET 47 HE3 MET 47 67.128 9.981 7.181 366 H LEU 48 HN LEU 48 69.994 5.675 8.724 367 HA LEU 48 HA LEU 48 67.176 5.562 9.713 368 HB2 LEU 48 HB2 LEU 48 68.777 4.356 7.521 369 HB3 LEU 48 HB1 LEU 48 67.540 3.318 8.224 370 HG LEU 48 HG LEU 48 66.298 5.820 7.943 371 HD11 LEU 48 HD11 LEU 48 68.016 5.113 5.546 372 HD12 LEU 48 HD12 LEU 48 68.028 6.617 6.466 373 HD13 LEU 48 HD13 LEU 48 66.634 6.207 5.468 374 HD21 LEU 48 HD21 LEU 48 65.423 4.369 5.786 375 HD22 LEU 48 HD22 LEU 48 64.858 4.130 7.438 376 HD23 LEU 48 HD23 LEU 48 66.131 3.101 6.786 377 H GLY 49 HN GLY 49 69.869 5.035 11.284 378 HA2 GLY 49 HA2 GLY 49 70.117 3.758 13.282 379 HA3 GLY 49 HA1 GLY 49 68.795 2.720 12.761 380 H GLN 50 HN GLN 50 70.845 2.992 10.140 381 HA GLN 50 HA GLN 50 71.895 0.279 10.531 382 HB2 GLN 50 HB2 GLN 50 71.307 2.104 8.414 383 HB3 GLN 50 HB1 GLN 50 73.005 1.671 8.281 384 HG2 GLN 50 HG2 GLN 50 70.592 -0.122 8.153 385 HG3 GLN 50 HG1 GLN 50 71.927 0.024 7.010 386 HE21 GLN 50 HE21 GLN 50 70.751 -1.817 9.645 387 HE22 GLN 50 HE22 GLN 50 72.177 -2.673 9.985 388 H ASN 51 HN ASN 51 74.242 -0.215 10.324 389 HA ASN 51 HA ASN 51 76.134 2.019 10.799 390 HB2 ASN 51 HB2 ASN 51 76.988 0.823 12.850 391 HB3 ASN 51 HB1 ASN 51 75.349 1.445 13.025 392 HD21 ASN 51 HD21 ASN 51 77.288 -1.454 12.972 393 HD22 ASN 51 HD22 ASN 51 76.018 -2.549 13.234 394 HA PRO 52 HA PRO 52 77.767 -1.759 8.536 395 HB2 PRO 52 HB2 PRO 52 77.715 -0.827 5.972 396 HB3 PRO 52 HB1 PRO 52 76.363 -1.718 6.701 397 HG2 PRO 52 HG2 PRO 52 76.663 1.186 6.193 398 HG3 PRO 52 HG1 PRO 52 75.207 0.179 6.176 399 HD2 PRO 52 HD2 PRO 52 75.964 1.883 8.229 400 HD3 PRO 52 HD1 PRO 52 74.801 0.549 8.374 401 H THR 53 HN THR 53 80.018 -1.826 8.223 402 HA THR 53 HA THR 53 81.580 0.609 8.531 403 HB THR 53 HB THR 53 83.457 -1.111 8.020 404 HG1 THR 53 HG1 THR 53 82.873 -3.099 7.605 405 HG21 THR 53 HG21 THR 53 81.527 -1.804 10.247 406 HG22 THR 53 HG22 THR 53 82.659 -0.452 10.310 407 HG23 THR 53 HG23 THR 53 83.264 -2.106 10.217 408 HA PRO 54 HA PRO 54 82.133 1.789 4.347 409 HB2 PRO 54 HB2 PRO 54 84.826 2.314 4.191 410 HB3 PRO 54 HB1 PRO 54 83.659 3.383 5.002 411 HG2 PRO 54 HG2 PRO 54 85.494 1.342 6.185 412 HG3 PRO 54 HG1 PRO 54 85.110 2.975 6.754 413 HD2 PRO 54 HD2 PRO 54 83.986 0.786 7.856 414 HD3 PRO 54 HD1 PRO 54 83.101 2.322 7.700 415 H GLU 55 HN GLU 55 84.517 -0.633 5.483 416 HA GLU 55 HA GLU 55 85.192 -1.585 2.825 417 HB2 GLU 55 HB2 GLU 55 86.184 -3.481 4.118 418 HB3 GLU 55 HB1 GLU 55 86.663 -1.912 4.753 419 HG2 GLU 55 HG2 GLU 55 84.212 -2.791 6.016 420 HG3 GLU 55 HG1 GLU 55 85.455 -4.030 6.169 421 H GLU 56 HN GLU 56 82.615 -2.378 5.119 422 HA GLU 56 HA GLU 56 81.801 -4.752 3.546 423 HB2 GLU 56 HB2 GLU 56 80.999 -3.426 6.132 424 HB3 GLU 56 HB1 GLU 56 79.948 -4.641 5.402 425 HG2 GLU 56 HG2 GLU 56 82.686 -5.567 5.358 426 HG3 GLU 56 HG1 GLU 56 82.241 -5.103 7.001 427 H LEU 57 HN LEU 57 80.768 -1.410 4.129 428 HA LEU 57 HA LEU 57 78.154 -1.449 3.044 429 HB2 LEU 57 HB2 LEU 57 79.367 0.407 4.246 430 HB3 LEU 57 HB1 LEU 57 80.268 0.711 2.764 431 HG LEU 57 HG LEU 57 78.066 1.071 1.589 432 HD11 LEU 57 HD11 LEU 57 76.329 1.761 3.585 433 HD12 LEU 57 HD12 LEU 57 77.119 0.354 4.298 434 HD13 LEU 57 HD13 LEU 57 76.299 0.210 2.744 435 HD21 LEU 57 HD21 LEU 57 79.560 2.874 2.637 436 HD22 LEU 57 HD22 LEU 57 78.410 2.899 3.975 437 HD23 LEU 57 HD23 LEU 57 77.879 3.328 2.348 438 H GLN 58 HN GLN 58 81.303 -1.251 1.349 439 HA GLN 58 HA GLN 58 80.396 -0.603 -1.256 440 HB2 GLN 58 HB2 GLN 58 82.757 -0.780 -0.355 441 HB3 GLN 58 HB1 GLN 58 82.611 -2.534 -0.485 442 HG2 GLN 58 HG2 GLN 58 83.682 -1.792 -2.497 443 HG3 GLN 58 HG1 GLN 58 82.021 -2.189 -2.934 444 HE21 GLN 58 HE21 GLN 58 81.051 -0.601 -4.212 445 HE22 GLN 58 HE22 GLN 58 81.437 1.054 -4.168 446 H GLU 59 HN GLU 59 80.915 -3.874 0.158 447 HA GLU 59 HA GLU 59 79.775 -5.329 -2.060 448 HB2 GLU 59 HB2 GLU 59 81.282 -6.280 -0.343 449 HB3 GLU 59 HB1 GLU 59 80.059 -6.001 0.894 450 HG2 GLU 59 HG2 GLU 59 78.526 -7.547 -0.211 451 HG3 GLU 59 HG1 GLU 59 79.660 -7.760 -1.543 452 H MET 60 HN MET 60 78.440 -4.072 0.989 453 HA MET 60 HA MET 60 75.832 -5.173 0.932 454 HB2 MET 60 HB2 MET 60 77.286 -2.902 2.117 455 HB3 MET 60 HB1 MET 60 75.554 -2.622 1.962 456 HG2 MET 60 HG2 MET 60 75.425 -5.091 2.957 457 HG3 MET 60 HG1 MET 60 77.010 -4.662 3.599 458 HE1 MET 60 HE1 MET 60 73.733 -3.375 2.709 459 HE2 MET 60 HE2 MET 60 74.008 -1.723 3.261 460 HE3 MET 60 HE3 MET 60 72.962 -2.789 4.195 461 H ILE 61 HN ILE 61 77.101 -2.256 -0.687 462 HA ILE 61 HA ILE 61 74.493 -1.590 -1.877 463 HB ILE 61 HB ILE 61 77.296 -0.483 -1.845 464 HG12 ILE 61 HG12 ILE 61 74.639 0.867 -1.301 465 HG13 ILE 61 HG11 ILE 61 75.499 -0.051 -0.066 466 HG21 ILE 61 HG21 ILE 61 76.256 1.404 -3.302 467 HG22 ILE 61 HG22 ILE 61 75.089 0.176 -3.792 468 HG23 ILE 61 HG23 ILE 61 76.806 -0.064 -4.113 469 HD11 ILE 61 HD11 ILE 61 76.489 1.961 0.366 470 HD12 ILE 61 HD12 ILE 61 76.142 2.592 -1.240 471 HD13 ILE 61 HD13 ILE 61 77.519 1.515 -0.995 472 H ASP 62 HN ASP 62 77.674 -2.768 -3.054 473 HA ASP 62 HA ASP 62 77.021 -2.940 -5.824 474 HB2 ASP 62 HB2 ASP 62 78.998 -4.129 -3.927 475 HB3 ASP 62 HB1 ASP 62 78.843 -4.899 -5.503 476 H GLU 63 HN GLU 63 76.526 -5.321 -3.185 477 HA GLU 63 HA GLU 63 75.605 -7.451 -4.937 478 HB2 GLU 63 HB2 GLU 63 76.510 -7.294 -2.402 479 HB3 GLU 63 HB1 GLU 63 74.778 -7.299 -2.073 480 HG2 GLU 63 HG2 GLU 63 74.492 -9.390 -3.259 481 HG3 GLU 63 HG1 GLU 63 76.160 -9.348 -3.829 482 H VAL 64 HN VAL 64 73.961 -4.854 -3.125 483 HA VAL 64 HA VAL 64 71.286 -5.907 -3.620 484 HB VAL 64 HB VAL 64 72.382 -3.231 -2.708 485 HG11 VAL 64 HG11 VAL 64 70.175 -2.881 -3.700 486 HG12 VAL 64 HG12 VAL 64 70.041 -2.795 -1.946 487 HG13 VAL 64 HG13 VAL 64 69.525 -4.250 -2.801 488 HG21 VAL 64 HG21 VAL 64 71.705 -4.001 -0.500 489 HG22 VAL 64 HG22 VAL 64 72.725 -5.239 -1.233 490 HG23 VAL 64 HG23 VAL 64 70.974 -5.452 -1.191 491 H ASP 65 HN ASP 65 73.495 -3.832 -5.412 492 HA ASP 65 HA ASP 65 71.555 -2.539 -7.115 493 HB2 ASP 65 HB2 ASP 65 74.110 -2.117 -6.606 494 HB3 ASP 65 HB1 ASP 65 74.357 -3.224 -7.956 495 H GLU 66 HN GLU 66 70.132 -3.870 -8.229 496 HA GLU 66 HA GLU 66 71.077 -6.396 -9.440 497 HB2 GLU 66 HB2 GLU 66 68.414 -4.981 -9.153 498 HB3 GLU 66 HB1 GLU 66 68.590 -6.496 -10.045 499 HG2 GLU 66 HG2 GLU 66 69.010 -7.729 -8.144 500 HG3 GLU 66 HG1 GLU 66 69.788 -6.383 -7.315 501 H ASP 67 HN ASP 67 69.872 -3.211 -10.561 502 HA ASP 67 HA ASP 67 69.833 -3.910 -13.370 503 HB2 ASP 67 HB2 ASP 67 69.714 -1.417 -13.633 504 HB3 ASP 67 HB1 ASP 67 68.559 -2.042 -12.462 505 H GLY 68 HN GLY 68 72.422 -2.983 -11.199 506 HA2 GLY 68 HA2 GLY 68 74.745 -3.130 -11.623 507 HA3 GLY 68 HA1 GLY 68 74.394 -3.408 -13.326 508 H SER 69 HN SER 69 73.861 -0.693 -11.004 509 HA SER 69 HA SER 69 74.858 1.137 -13.165 510 HB2 SER 69 HB2 SER 69 73.418 2.794 -12.233 511 HB3 SER 69 HB1 SER 69 72.482 1.308 -12.239 512 HG SER 69 HG SER 69 73.188 2.853 -10.170 513 H GLY 70 HN GLY 70 75.353 0.143 -9.805 514 HA2 GLY 70 HA2 GLY 70 77.577 0.390 -8.802 515 HA3 GLY 70 HA1 GLY 70 77.791 1.867 -9.743 516 H THR 71 HN THR 71 74.983 2.752 -9.055 517 HA THR 71 HA THR 71 75.547 3.684 -6.257 518 HB THR 71 HB THR 71 74.082 5.638 -7.025 519 HG1 THR 71 HG1 THR 71 73.060 4.889 -8.781 520 HG21 THR 71 HG21 THR 71 76.644 5.056 -8.536 521 HG22 THR 71 HG22 THR 71 76.525 5.814 -6.951 522 HG23 THR 71 HG23 THR 71 75.903 6.651 -8.375 523 H VAL 72 HN VAL 72 73.711 3.904 -4.837 524 HA VAL 72 HA VAL 72 71.650 1.841 -5.228 525 HB VAL 72 HB VAL 72 72.542 3.694 -3.029 526 HG11 VAL 72 HG11 VAL 72 70.722 2.325 -1.690 527 HG12 VAL 72 HG12 VAL 72 69.950 2.197 -3.268 528 HG13 VAL 72 HG13 VAL 72 70.256 3.783 -2.565 529 HG21 VAL 72 HG21 VAL 72 72.708 0.815 -3.729 530 HG22 VAL 72 HG22 VAL 72 72.430 1.166 -2.022 531 HG23 VAL 72 HG23 VAL 72 73.849 1.820 -2.842 532 H ASP 73 HN ASP 73 69.551 2.214 -5.768 533 HA ASP 73 HA ASP 73 68.651 5.057 -6.020 534 HB2 ASP 73 HB2 ASP 73 67.112 3.242 -7.638 535 HB3 ASP 73 HB1 ASP 73 68.126 4.579 -8.162 536 H PHE 74 HN PHE 74 65.998 4.777 -6.348 537 HA PHE 74 HA PHE 74 64.905 4.442 -3.774 538 HB2 PHE 74 HB2 PHE 74 64.047 5.491 -6.046 539 HB3 PHE 74 HB1 PHE 74 63.275 3.916 -6.243 540 HD1 PHE 74 HD1 PHE 74 61.564 3.140 -4.663 541 HD2 PHE 74 HD2 PHE 74 63.360 7.020 -4.281 542 HE1 PHE 74 HE1 PHE 74 59.761 3.823 -3.096 543 HE2 PHE 74 HE2 PHE 74 61.563 7.704 -2.718 544 HZ PHE 74 HZ PHE 74 59.765 6.096 -2.121 545 H ASP 75 HN ASP 75 64.905 2.069 -6.471 546 HA ASP 75 HA ASP 75 63.406 0.057 -5.065 547 HB2 ASP 75 HB2 ASP 75 65.096 0.281 -7.519 548 HB3 ASP 75 HB1 ASP 75 64.676 -1.335 -6.953 549 H GLU 76 HN GLU 76 66.958 0.416 -5.579 550 HA GLU 76 HA GLU 76 67.799 -1.938 -4.239 551 HB2 GLU 76 HB2 GLU 76 68.886 0.618 -5.126 552 HB3 GLU 76 HB1 GLU 76 69.669 0.069 -3.647 553 HG2 GLU 76 HG2 GLU 76 70.801 -1.532 -4.762 554 HG3 GLU 76 HG1 GLU 76 69.321 -2.138 -5.504 555 H PHE 77 HN PHE 77 67.215 1.336 -2.867 556 HA PHE 77 HA PHE 77 67.892 0.756 -0.158 557 HB2 PHE 77 HB2 PHE 77 67.385 2.993 -1.295 558 HB3 PHE 77 HB1 PHE 77 65.676 2.598 -1.122 559 HD1 PHE 77 HD1 PHE 77 68.750 2.388 1.041 560 HD2 PHE 77 HD2 PHE 77 64.638 3.596 0.707 561 HE1 PHE 77 HE1 PHE 77 68.790 3.183 3.385 562 HE2 PHE 77 HE2 PHE 77 64.683 4.390 3.056 563 HZ PHE 77 HZ PHE 77 66.754 4.181 4.393 564 H LEU 78 HN LEU 78 64.788 0.353 -1.899 565 HA LEU 78 HA LEU 78 63.190 -0.455 0.342 566 HB2 LEU 78 HB2 LEU 78 63.078 -0.422 -2.596 567 HB3 LEU 78 HB1 LEU 78 62.196 -1.778 -1.904 568 HG LEU 78 HG LEU 78 60.860 0.379 -2.210 569 HD11 LEU 78 HD11 LEU 78 60.453 -1.585 -0.531 570 HD12 LEU 78 HD12 LEU 78 59.554 -0.083 -0.325 571 HD13 LEU 78 HD13 LEU 78 60.959 -0.415 0.689 572 HD21 LEU 78 HD21 LEU 78 62.861 1.764 -1.286 573 HD22 LEU 78 HD22 LEU 78 62.272 1.282 0.304 574 HD23 LEU 78 HD23 LEU 78 61.235 2.219 -0.772 575 H VAL 79 HN VAL 79 64.982 -2.423 -2.067 576 HA VAL 79 HA VAL 79 64.408 -4.984 -0.868 577 HB VAL 79 HB VAL 79 66.533 -3.875 -2.728 578 HG11 VAL 79 HG11 VAL 79 66.295 -6.631 -1.535 579 HG12 VAL 79 HG12 VAL 79 67.744 -5.660 -1.798 580 HG13 VAL 79 HG13 VAL 79 66.938 -6.430 -3.164 581 HG21 VAL 79 HG21 VAL 79 65.320 -5.293 -4.372 582 HG22 VAL 79 HG22 VAL 79 64.261 -4.094 -3.628 583 HG23 VAL 79 HG23 VAL 79 64.197 -5.777 -3.100 584 H MET 80 HN MET 80 67.211 -2.772 -0.611 585 HA MET 80 HA MET 80 68.806 -4.322 1.163 586 HB2 MET 80 HB2 MET 80 69.598 -2.367 -0.072 587 HB3 MET 80 HB1 MET 80 68.486 -1.320 0.811 588 HG2 MET 80 HG2 MET 80 69.725 -1.435 2.775 589 HG3 MET 80 HG1 MET 80 70.435 -2.995 2.361 590 HE1 MET 80 HE1 MET 80 71.539 0.827 2.604 591 HE2 MET 80 HE2 MET 80 70.009 0.532 1.781 592 HE3 MET 80 HE3 MET 80 71.376 1.162 0.874 593 H MET 81 HN MET 81 66.200 -1.977 1.861 594 HA MET 81 HA MET 81 66.525 -1.922 4.712 595 HB2 MET 81 HB2 MET 81 64.416 -1.276 2.689 596 HB3 MET 81 HB1 MET 81 63.919 -1.373 4.379 597 HG2 MET 81 HG2 MET 81 66.217 0.327 3.358 598 HG3 MET 81 HG1 MET 81 64.601 0.933 3.717 599 HE1 MET 81 HE1 MET 81 67.910 0.474 4.632 600 HE2 MET 81 HE2 MET 81 68.051 0.710 6.370 601 HE3 MET 81 HE3 MET 81 67.447 2.021 5.361 602 H VAL 82 HN VAL 82 64.533 -4.012 2.595 603 HA VAL 82 HA VAL 82 63.217 -5.427 4.736 604 HB VAL 82 HB VAL 82 63.742 -5.998 1.801 605 HG11 VAL 82 HG11 VAL 82 61.816 -7.506 3.580 606 HG12 VAL 82 HG12 VAL 82 63.424 -8.113 3.187 607 HG13 VAL 82 HG13 VAL 82 62.239 -7.857 1.905 608 HG21 VAL 82 HG21 VAL 82 62.229 -4.191 2.043 609 HG22 VAL 82 HG22 VAL 82 61.435 -4.932 3.434 610 HG23 VAL 82 HG23 VAL 82 61.186 -5.596 1.819 611 H ARG 83 HN ARG 83 65.997 -6.424 2.658 612 HA ARG 83 HA ARG 83 66.497 -8.859 4.130 613 HB2 ARG 83 HB2 ARG 83 68.401 -9.029 2.705 614 HB3 ARG 83 HB1 ARG 83 67.162 -8.218 1.755 615 HG2 ARG 83 HG2 ARG 83 68.267 -6.023 2.685 616 HG3 ARG 83 HG1 ARG 83 69.652 -7.069 2.991 617 HD2 ARG 83 HD2 ARG 83 68.278 -6.752 0.293 618 HD3 ARG 83 HD1 ARG 83 69.828 -6.015 0.751 619 HE ARG 83 HE ARG 83 70.533 -8.477 1.261 620 HH11 ARG 83 HH11 ARG 83 67.636 -8.899 -0.103 621 HH12 ARG 83 HH12 ARG 83 68.171 -9.685 -1.549 622 HH21 ARG 83 HH21 ARG 83 71.509 -8.850 -1.070 623 HH22 ARG 83 HH22 ARG 83 70.375 -9.656 -2.101 624 H SER 84 HN SER 84 67.557 -5.529 4.649 625 HA SER 84 HA SER 84 69.725 -6.288 6.498 626 HB2 SER 84 HB2 SER 84 69.657 -4.245 4.994 627 HB3 SER 84 HB1 SER 84 68.398 -3.596 6.041 628 HG SER 84 HG SER 84 70.913 -3.277 6.384 629 H MET 85 HN MET 85 66.303 -5.513 6.717 630 HA MET 85 HA MET 85 66.172 -4.730 9.471 631 HB2 MET 85 HB2 MET 85 64.450 -5.134 7.295 632 HB3 MET 85 HB1 MET 85 63.897 -6.287 8.508 633 HG2 MET 85 HG2 MET 85 64.057 -4.301 10.169 634 HG3 MET 85 HG1 MET 85 64.103 -3.286 8.728 635 HE1 MET 85 HE1 MET 85 61.570 -2.783 7.229 636 HE2 MET 85 HE2 MET 85 61.080 -4.405 6.750 637 HE3 MET 85 HE3 MET 85 62.789 -3.973 6.755 638 H LYS 86 HN LYS 86 65.794 -7.942 7.918 639 HA LYS 86 HA LYS 86 66.132 -9.194 10.626 640 HB2 LYS 86 HB2 LYS 86 63.974 -9.380 9.124 641 HB3 LYS 86 HB1 LYS 86 64.928 -10.559 8.224 642 HG2 LYS 86 HG2 LYS 86 65.422 -11.465 10.702 643 HG3 LYS 86 HG1 LYS 86 63.857 -10.711 11.007 644 HD2 LYS 86 HD2 LYS 86 62.873 -12.538 10.130 645 HD3 LYS 86 HD1 LYS 86 63.562 -12.100 8.570 646 HE2 LYS 86 HE2 LYS 86 64.371 -14.301 8.921 647 HE3 LYS 86 HE1 LYS 86 65.723 -13.294 9.472 648 HZ1 LYS 86 HZ1 LYS 86 63.639 -14.619 11.110 649 HZ2 LYS 86 HZ2 LYS 86 64.563 -13.327 11.717 650 HZ3 LYS 86 HZ3 LYS 86 65.324 -14.765 11.234 651 H ASP 87 HN ASP 87 66.353 -11.734 8.678 652 HA ASP 87 HA ASP 87 69.322 -11.502 8.347 653 HB2 ASP 87 HB2 ASP 87 67.517 -13.914 8.784 654 HB3 ASP 87 HB1 ASP 87 69.277 -13.952 8.704 655 H ASP 88 HN ASP 88 70.087 -11.702 6.260 656 HA ASP 88 HA ASP 88 68.191 -12.750 4.184 657 HB2 ASP 88 HB2 ASP 88 68.552 -10.346 4.041 658 HB3 ASP 88 HB1 ASP 88 70.297 -10.573 4.088 659 H SER 89 HN SER 89 69.077 -14.125 2.583 660 HA SER 89 HA SER 89 71.940 -14.952 2.929 661 HB2 SER 89 HB2 SER 89 69.389 -16.511 3.088 662 HB3 SER 89 HB1 SER 89 70.806 -17.309 2.414 663 HG SER 89 HG SER 89 70.315 -16.366 4.998 Start of MODEL 9 1 H1 MET 1 HT1 MET 1 68.505 -11.095 -10.093 2 H2 MET 1 HT2 MET 1 67.352 -9.964 -9.572 3 H3 MET 1 HT3 MET 1 67.206 -11.598 -9.122 4 HA MET 1 HA MET 1 69.300 -11.421 -7.843 5 HB2 MET 1 HB2 MET 1 69.500 -9.159 -9.500 6 HB3 MET 1 HB1 MET 1 69.285 -8.505 -7.876 7 HG2 MET 1 HG2 MET 1 71.558 -8.803 -7.808 8 HG3 MET 1 HG1 MET 1 71.085 -10.429 -7.316 9 HE1 MET 1 HE1 MET 1 73.684 -9.569 -8.255 10 HE2 MET 1 HE2 MET 1 73.501 -8.638 -9.739 11 HE3 MET 1 HE3 MET 1 74.245 -10.233 -9.797 12 H ASP 2 HN ASP 2 68.807 -11.381 -5.660 13 HA ASP 2 HA ASP 2 67.469 -11.138 -3.722 14 HB2 ASP 2 HB2 ASP 2 67.458 -8.409 -5.038 15 HB3 ASP 2 HB1 ASP 2 66.761 -8.684 -3.442 16 H ASP 3 HN ASP 3 66.072 -12.252 -5.997 17 HA ASP 3 HA ASP 3 63.540 -11.044 -6.547 18 HB2 ASP 3 HB2 ASP 3 64.701 -13.831 -6.598 19 HB3 ASP 3 HB1 ASP 3 63.007 -13.567 -7.006 20 H ILE 4 HN ILE 4 64.611 -13.122 -3.871 21 HA ILE 4 HA ILE 4 61.986 -13.656 -2.778 22 HB ILE 4 HB ILE 4 63.313 -14.316 -0.769 23 HG12 ILE 4 HG12 ILE 4 65.958 -14.136 -1.696 24 HG13 ILE 4 HG11 ILE 4 65.262 -12.549 -2.022 25 HG21 ILE 4 HG21 ILE 4 65.071 -15.564 -2.649 26 HG22 ILE 4 HG22 ILE 4 63.490 -15.388 -3.411 27 HG23 ILE 4 HG23 ILE 4 63.638 -16.241 -1.874 28 HD11 ILE 4 HD11 ILE 4 64.845 -13.895 0.642 29 HD12 ILE 4 HD12 ILE 4 64.715 -12.183 0.241 30 HD13 ILE 4 HD13 ILE 4 66.300 -12.953 0.325 31 H TYR 5 HN TYR 5 64.262 -10.977 -2.432 32 HA TYR 5 HA TYR 5 62.986 -9.792 -0.098 33 HB2 TYR 5 HB2 TYR 5 65.021 -8.984 -2.176 34 HB3 TYR 5 HB1 TYR 5 64.406 -7.788 -1.036 35 HD1 TYR 5 HD1 TYR 5 64.293 -8.719 1.510 36 HD2 TYR 5 HD2 TYR 5 66.952 -10.119 -1.557 37 HE1 TYR 5 HE1 TYR 5 65.847 -9.578 3.245 38 HE2 TYR 5 HE2 TYR 5 68.502 -10.977 0.175 39 HH TYR 5 HH TYR 5 67.683 -11.480 3.294 40 H LYS 6 HN LYS 6 62.529 -9.572 -3.598 41 HA LYS 6 HA LYS 6 61.035 -7.148 -3.771 42 HB2 LYS 6 HB2 LYS 6 61.607 -9.537 -5.355 43 HB3 LYS 6 HB1 LYS 6 59.967 -8.949 -5.639 44 HG2 LYS 6 HG2 LYS 6 60.679 -6.958 -6.543 45 HG3 LYS 6 HG1 LYS 6 62.145 -6.909 -5.567 46 HD2 LYS 6 HD2 LYS 6 61.879 -9.071 -7.633 47 HD3 LYS 6 HD1 LYS 6 62.262 -7.436 -8.172 48 HE2 LYS 6 HE2 LYS 6 64.216 -7.382 -6.640 49 HE3 LYS 6 HE1 LYS 6 63.835 -9.035 -6.118 50 HZ1 LYS 6 HZ1 LYS 6 64.468 -8.154 -8.891 51 HZ2 LYS 6 HZ2 LYS 6 63.943 -9.717 -8.479 52 HZ3 LYS 6 HZ3 LYS 6 65.431 -9.138 -7.898 53 H ALA 7 HN ALA 7 59.992 -10.483 -3.071 54 HA ALA 7 HA ALA 7 57.176 -10.113 -3.042 55 HB1 ALA 7 HB1 ALA 7 58.827 -11.871 -1.203 56 HB2 ALA 7 HB2 ALA 7 58.585 -12.232 -2.914 57 HB3 ALA 7 HB3 ALA 7 57.205 -12.193 -1.817 58 H ALA 8 HN ALA 8 59.603 -9.495 -0.490 59 HA ALA 8 HA ALA 8 57.842 -9.002 1.698 60 HB1 ALA 8 HB1 ALA 8 60.301 -9.288 1.806 61 HB2 ALA 8 HB2 ALA 8 59.798 -7.798 2.603 62 HB3 ALA 8 HB3 ALA 8 60.514 -7.738 0.991 63 H VAL 9 HN VAL 9 58.985 -6.809 -0.890 64 HA VAL 9 HA VAL 9 58.032 -4.338 0.103 65 HB VAL 9 HB VAL 9 58.151 -5.472 -2.711 66 HG11 VAL 9 HG11 VAL 9 57.777 -2.631 -1.726 67 HG12 VAL 9 HG12 VAL 9 56.697 -3.551 -2.771 68 HG13 VAL 9 HG13 VAL 9 58.272 -3.030 -3.371 69 HG21 VAL 9 HG21 VAL 9 60.100 -4.229 -0.835 70 HG22 VAL 9 HG22 VAL 9 60.197 -3.714 -2.519 71 HG23 VAL 9 HG23 VAL 9 60.364 -5.421 -2.107 72 H GLU 10 HN GLU 10 56.260 -6.909 -1.625 73 HA GLU 10 HA GLU 10 53.763 -5.422 -1.835 74 HB2 GLU 10 HB2 GLU 10 54.652 -8.294 -2.137 75 HB3 GLU 10 HB1 GLU 10 52.955 -7.837 -2.319 76 HG2 GLU 10 HG2 GLU 10 53.318 -6.815 -4.324 77 HG3 GLU 10 HG1 GLU 10 54.848 -6.117 -3.796 78 H GLN 11 HN GLN 11 55.169 -7.654 0.514 79 HA GLN 11 HA GLN 11 52.705 -7.977 2.059 80 HB2 GLN 11 HB2 GLN 11 55.369 -9.060 1.875 81 HB3 GLN 11 HB1 GLN 11 55.033 -8.627 3.552 82 HG2 GLN 11 HG2 GLN 11 52.768 -9.942 2.225 83 HG3 GLN 11 HG1 GLN 11 54.208 -10.958 2.320 84 HE21 GLN 11 HE21 GLN 11 52.416 -8.663 4.466 85 HE22 GLN 11 HE22 GLN 11 52.572 -9.624 5.856 86 H LEU 12 HN LEU 12 55.419 -5.748 2.022 87 HA LEU 12 HA LEU 12 55.288 -4.744 4.697 88 HB2 LEU 12 HB2 LEU 12 56.155 -3.635 2.021 89 HB3 LEU 12 HB1 LEU 12 56.314 -2.691 3.501 90 HG LEU 12 HG LEU 12 57.448 -5.483 3.182 91 HD11 LEU 12 HD11 LEU 12 58.317 -3.245 1.812 92 HD12 LEU 12 HD12 LEU 12 59.303 -4.655 2.195 93 HD13 LEU 12 HD13 LEU 12 59.336 -3.242 3.250 94 HD21 LEU 12 HD21 LEU 12 57.780 -3.257 5.211 95 HD22 LEU 12 HD22 LEU 12 58.869 -4.639 5.119 96 HD23 LEU 12 HD23 LEU 12 57.163 -4.885 5.491 97 H THR 13 HN THR 13 54.190 -2.845 5.509 98 HA THR 13 HA THR 13 51.526 -2.404 4.348 99 HB THR 13 HB THR 13 51.419 -0.811 6.367 100 HG1 THR 13 HG1 THR 13 53.098 -0.949 7.792 101 HG21 THR 13 HG21 THR 13 51.728 -2.894 7.972 102 HG22 THR 13 HG22 THR 13 51.853 -3.763 6.442 103 HG23 THR 13 HG23 THR 13 50.402 -2.834 6.807 104 H GLU 14 HN GLU 14 50.709 -0.200 3.947 105 HA GLU 14 HA GLU 14 52.269 1.250 2.044 106 HB2 GLU 14 HB2 GLU 14 50.343 2.686 1.970 107 HB3 GLU 14 HB1 GLU 14 49.750 1.064 2.308 108 HG2 GLU 14 HG2 GLU 14 50.377 2.777 4.672 109 HG3 GLU 14 HG1 GLU 14 48.960 3.211 3.726 110 H GLU 15 HN GLU 15 51.849 1.762 5.535 111 HA GLU 15 HA GLU 15 52.933 4.427 5.642 112 HB2 GLU 15 HB2 GLU 15 53.066 3.948 8.048 113 HB3 GLU 15 HB1 GLU 15 51.554 3.321 7.388 114 HG2 GLU 15 HG2 GLU 15 53.205 1.164 7.053 115 HG3 GLU 15 HG1 GLU 15 53.863 1.868 8.529 116 H GLN 16 HN GLN 16 54.466 1.244 5.559 117 HA GLN 16 HA GLN 16 57.108 2.149 6.401 118 HB2 GLN 16 HB2 GLN 16 56.092 -0.258 4.852 119 HB3 GLN 16 HB1 GLN 16 57.737 -0.105 5.478 120 HG2 GLN 16 HG2 GLN 16 56.744 0.219 7.773 121 HG3 GLN 16 HG1 GLN 16 55.170 -0.173 7.081 122 HE21 GLN 16 HE21 GLN 16 58.098 -1.539 8.316 123 HE22 GLN 16 HE22 GLN 16 57.760 -3.156 7.928 124 H LYS 17 HN LYS 17 55.661 1.311 3.242 125 HA LYS 17 HA LYS 17 57.860 1.963 1.566 126 HB2 LYS 17 HB2 LYS 17 54.883 1.766 1.337 127 HB3 LYS 17 HB1 LYS 17 55.766 2.480 -0.017 128 HG2 LYS 17 HG2 LYS 17 57.030 0.519 -0.382 129 HG3 LYS 17 HG1 LYS 17 56.650 -0.128 1.212 130 HD2 LYS 17 HD2 LYS 17 54.392 0.396 -0.686 131 HD3 LYS 17 HD1 LYS 17 55.399 -1.028 -0.947 132 HE2 LYS 17 HE2 LYS 17 55.010 -1.390 1.657 133 HE3 LYS 17 HE1 LYS 17 53.565 -0.405 1.342 134 HZ1 LYS 17 HZ1 LYS 17 52.915 -1.867 -0.411 135 HZ2 LYS 17 HZ2 LYS 17 53.229 -2.825 0.954 136 HZ3 LYS 17 HZ3 LYS 17 54.366 -2.747 -0.307 137 H ASN 18 HN ASN 18 55.335 4.051 2.952 138 HA ASN 18 HA ASN 18 56.043 6.433 1.462 139 HB2 ASN 18 HB2 ASN 18 54.065 6.993 2.406 140 HB3 ASN 18 HB1 ASN 18 54.109 5.525 3.372 141 HD21 ASN 18 HD21 ASN 18 55.143 8.963 3.396 142 HD22 ASN 18 HD22 ASN 18 55.220 9.083 5.086 143 H GLU 19 HN GLU 19 57.052 5.058 4.584 144 HA GLU 19 HA GLU 19 58.600 7.318 5.479 145 HB2 GLU 19 HB2 GLU 19 58.543 4.350 6.059 146 HB3 GLU 19 HB1 GLU 19 59.660 5.432 6.887 147 HG2 GLU 19 HG2 GLU 19 56.699 6.018 6.793 148 HG3 GLU 19 HG1 GLU 19 57.392 4.976 8.035 149 H PHE 20 HN PHE 20 59.401 4.404 3.567 150 HA PHE 20 HA PHE 20 62.238 4.791 3.455 151 HB2 PHE 20 HB2 PHE 20 60.255 3.499 1.559 152 HB3 PHE 20 HB1 PHE 20 62.003 3.352 1.391 153 HD1 PHE 20 HD1 PHE 20 62.873 3.160 4.204 154 HD2 PHE 20 HD2 PHE 20 59.532 1.348 2.205 155 HE1 PHE 20 HE1 PHE 20 62.878 1.318 5.860 156 HE2 PHE 20 HE2 PHE 20 59.538 -0.492 3.861 157 HZ PHE 20 HZ PHE 20 61.211 -0.507 5.691 158 H LYS 21 HN LYS 21 59.622 5.932 1.301 159 HA LYS 21 HA LYS 21 61.308 7.193 -0.645 160 HB2 LYS 21 HB2 LYS 21 58.647 6.686 -0.317 161 HB3 LYS 21 HB1 LYS 21 58.687 8.418 0.009 162 HG2 LYS 21 HG2 LYS 21 60.344 7.807 -2.282 163 HG3 LYS 21 HG1 LYS 21 58.719 7.159 -2.519 164 HD2 LYS 21 HD2 LYS 21 57.713 9.251 -2.390 165 HD3 LYS 21 HD1 LYS 21 59.040 9.947 -1.458 166 HE2 LYS 21 HE2 LYS 21 60.496 9.712 -3.522 167 HE3 LYS 21 HE1 LYS 21 59.025 9.285 -4.420 168 HZ1 LYS 21 HZ1 LYS 21 59.179 11.608 -4.596 169 HZ2 LYS 21 HZ2 LYS 21 59.620 11.798 -2.967 170 HZ3 LYS 21 HZ3 LYS 21 58.030 11.354 -3.378 171 H ALA 22 HN ALA 22 59.897 8.347 2.418 172 HA ALA 22 HA ALA 22 60.609 11.104 2.222 173 HB1 ALA 22 HB1 ALA 22 60.479 10.948 4.743 174 HB2 ALA 22 HB2 ALA 22 60.358 9.199 4.571 175 HB3 ALA 22 HB3 ALA 22 59.093 10.241 3.914 176 H ALA 23 HN ALA 23 62.421 8.315 3.547 177 HA ALA 23 HA ALA 23 64.764 9.825 4.331 178 HB1 ALA 23 HB1 ALA 23 65.718 7.596 4.602 179 HB2 ALA 23 HB2 ALA 23 64.447 6.897 3.597 180 HB3 ALA 23 HB3 ALA 23 64.054 7.578 5.178 181 H PHE 24 HN PHE 24 63.946 7.861 1.462 182 HA PHE 24 HA PHE 24 66.426 8.075 0.067 183 HB2 PHE 24 HB2 PHE 24 64.641 6.509 -0.489 184 HB3 PHE 24 HB1 PHE 24 63.540 7.839 -0.847 185 HD1 PHE 24 HD2 PHE 24 66.935 6.582 -1.853 186 HD2 PHE 24 HD1 PHE 24 63.293 8.503 -3.069 187 HE1 PHE 24 HE2 PHE 24 67.730 6.604 -4.202 188 HE2 PHE 24 HE1 PHE 24 64.086 8.525 -5.419 189 HZ PHE 24 HZ PHE 24 66.305 7.569 -5.981 190 H ASP 25 HN ASP 25 63.577 10.213 0.117 191 HA ASP 25 HA ASP 25 64.420 12.012 -1.956 192 HB2 ASP 25 HB2 ASP 25 62.478 11.978 0.327 193 HB3 ASP 25 HB1 ASP 25 62.767 13.506 -0.497 194 H ILE 26 HN ILE 26 65.327 11.792 1.454 195 HA ILE 26 HA ILE 26 66.133 14.411 2.070 196 HB ILE 26 HB ILE 26 67.324 11.707 2.745 197 HG12 ILE 26 HG12 ILE 26 65.676 13.635 4.408 198 HG13 ILE 26 HG11 ILE 26 64.975 12.305 3.492 199 HG21 ILE 26 HG21 ILE 26 68.357 13.006 4.702 200 HG22 ILE 26 HG22 ILE 26 68.012 14.471 3.782 201 HG23 ILE 26 HG23 ILE 26 69.115 13.258 3.131 202 HD11 ILE 26 HD11 ILE 26 66.826 12.186 5.864 203 HD12 ILE 26 HD12 ILE 26 66.696 10.822 4.759 204 HD13 ILE 26 HD13 ILE 26 65.272 11.387 5.639 205 H PHE 27 HN PHE 27 67.988 11.965 0.235 206 HA PHE 27 HA PHE 27 70.110 14.003 -0.264 207 HB2 PHE 27 HB2 PHE 27 70.671 11.475 -1.521 208 HB3 PHE 27 HB1 PHE 27 71.508 12.225 -0.176 209 HD1 PHE 27 HD1 PHE 27 70.478 11.903 2.192 210 HD2 PHE 27 HD2 PHE 27 69.416 9.504 -1.209 211 HE1 PHE 27 HE1 PHE 27 69.594 10.149 3.707 212 HE2 PHE 27 HE2 PHE 27 68.530 7.757 0.306 213 HZ PHE 27 HZ PHE 27 68.615 8.077 2.764 214 H VAL 28 HN VAL 28 67.471 12.363 -1.874 215 HA VAL 28 HA VAL 28 68.321 12.768 -4.605 216 HB VAL 28 HB VAL 28 65.664 12.347 -3.214 217 HG11 VAL 28 HG11 VAL 28 64.951 13.396 -5.188 218 HG12 VAL 28 HG12 VAL 28 64.971 11.697 -5.656 219 HG13 VAL 28 HG13 VAL 28 66.298 12.761 -6.129 220 HG21 VAL 28 HG21 VAL 28 67.777 10.635 -3.761 221 HG22 VAL 28 HG22 VAL 28 66.682 10.354 -5.116 222 HG23 VAL 28 HG23 VAL 28 66.112 10.138 -3.463 223 H GLN 29 HN GLN 29 66.659 14.825 -2.252 224 HA GLN 29 HA GLN 29 65.518 16.807 -3.909 225 HB2 GLN 29 HB2 GLN 29 66.596 16.569 -1.152 226 HB3 GLN 29 HB1 GLN 29 66.413 18.218 -1.756 227 HG2 GLN 29 HG2 GLN 29 64.094 18.009 -2.010 228 HG3 GLN 29 HG1 GLN 29 64.164 16.244 -2.088 229 HE21 GLN 29 HE21 GLN 29 63.763 15.146 -0.142 230 HE22 GLN 29 HE22 GLN 29 63.758 15.875 1.389 231 H GLY 30 HN GLY 30 68.923 16.481 -2.852 232 HA2 GLY 30 HA2 GLY 30 69.674 18.934 -4.341 233 HA3 GLY 30 HA1 GLY 30 70.744 17.983 -3.310 234 H ALA 31 HN ALA 31 69.843 15.444 -4.630 235 HA ALA 31 HA ALA 31 71.778 15.477 -6.837 236 HB1 ALA 31 HB1 ALA 31 71.747 13.638 -5.270 237 HB2 ALA 31 HB2 ALA 31 71.170 13.011 -6.811 238 HB3 ALA 31 HB3 ALA 31 70.021 13.384 -5.523 239 H GLU 32 HN GLU 32 71.107 16.151 -8.837 240 HA GLU 32 HA GLU 32 68.391 16.446 -9.683 241 HB2 GLU 32 HB2 GLU 32 71.074 16.276 -11.059 242 HB3 GLU 32 HB1 GLU 32 69.591 16.532 -11.979 243 HG2 GLU 32 HG2 GLU 32 69.748 18.283 -9.642 244 HG3 GLU 32 HG1 GLU 32 71.107 18.519 -10.741 245 H ASP 33 HN ASP 33 70.685 13.749 -10.079 246 HA ASP 33 HA ASP 33 68.943 12.236 -11.867 247 HB2 ASP 33 HB2 ASP 33 71.466 11.713 -10.285 248 HB3 ASP 33 HB1 ASP 33 70.685 10.433 -11.209 249 H GLY 34 HN GLY 34 69.455 12.392 -8.359 250 HA2 GLY 34 HA2 GLY 34 67.982 11.613 -6.674 251 HA3 GLY 34 HA1 GLY 34 67.002 10.847 -7.923 252 H SER 35 HN SER 35 70.488 10.360 -7.474 253 HA SER 35 HA SER 35 69.934 7.564 -6.534 254 HB2 SER 35 HB2 SER 35 70.394 7.843 -9.028 255 HB3 SER 35 HB1 SER 35 72.010 8.382 -8.589 256 HG SER 35 HG SER 35 70.777 5.868 -8.145 257 H ILE 36 HN ILE 36 71.685 6.644 -5.259 258 HA ILE 36 HA ILE 36 73.586 8.702 -4.164 259 HB ILE 36 HB ILE 36 72.492 6.217 -2.808 260 HG12 ILE 36 HG12 ILE 36 71.494 8.876 -1.968 261 HG13 ILE 36 HG11 ILE 36 70.912 8.329 -3.539 262 HG21 ILE 36 HG21 ILE 36 73.933 8.698 -1.829 263 HG22 ILE 36 HG22 ILE 36 74.516 7.034 -1.776 264 HG23 ILE 36 HG23 ILE 36 73.168 7.527 -0.753 265 HD11 ILE 36 HD11 ILE 36 69.351 7.231 -2.288 266 HD12 ILE 36 HD12 ILE 36 70.356 7.251 -0.841 267 HD13 ILE 36 HD13 ILE 36 70.640 6.042 -2.094 268 H SER 37 HN SER 37 75.742 7.980 -3.678 269 HA SER 37 HA SER 37 76.613 5.604 -5.260 270 HB2 SER 37 HB2 SER 37 77.582 8.024 -5.377 271 HB3 SER 37 HB1 SER 37 78.369 7.620 -3.852 272 HG SER 37 HG SER 37 79.792 6.626 -5.026 273 H THR 38 HN THR 38 78.431 4.295 -4.184 274 HA THR 38 HA THR 38 77.544 3.146 -1.714 275 HB THR 38 HB THR 38 79.762 1.975 -1.860 276 HG1 THR 38 HG1 THR 38 81.186 2.590 -3.406 277 HG21 THR 38 HG21 THR 38 78.812 0.640 -3.402 278 HG22 THR 38 HG22 THR 38 79.044 1.849 -4.665 279 HG23 THR 38 HG23 THR 38 77.600 1.896 -3.652 280 H LYS 39 HN LYS 39 79.571 5.925 -2.348 281 HA LYS 39 HA LYS 39 81.090 5.980 0.093 282 HB2 LYS 39 HB2 LYS 39 81.009 7.374 -2.248 283 HB3 LYS 39 HB1 LYS 39 80.222 8.527 -1.175 284 HG2 LYS 39 HG2 LYS 39 82.726 7.209 -0.208 285 HG3 LYS 39 HG1 LYS 39 82.873 8.472 -1.432 286 HD2 LYS 39 HD2 LYS 39 82.513 10.077 0.107 287 HD3 LYS 39 HD1 LYS 39 81.009 9.308 0.613 288 HE2 LYS 39 HE2 LYS 39 82.229 9.133 2.599 289 HE3 LYS 39 HE1 LYS 39 82.723 7.619 1.816 290 HZ1 LYS 39 HZ1 LYS 39 84.196 10.152 2.051 291 HZ2 LYS 39 HZ2 LYS 39 84.452 9.195 0.672 292 HZ3 LYS 39 HZ3 LYS 39 84.757 8.560 2.217 293 H GLU 40 HN GLU 40 77.910 7.386 -0.776 294 HA GLU 40 HA GLU 40 77.552 8.419 1.991 295 HB2 GLU 40 HB2 GLU 40 75.845 8.581 -0.515 296 HB3 GLU 40 HB1 GLU 40 75.566 9.484 0.972 297 HG2 GLU 40 HG2 GLU 40 76.942 11.094 0.201 298 HG3 GLU 40 HG1 GLU 40 78.272 9.940 0.282 299 H LEU 41 HN LEU 41 76.443 5.794 -0.074 300 HA LEU 41 HA LEU 41 74.002 5.041 1.096 301 HB2 LEU 41 HB2 LEU 41 75.831 4.026 -0.721 302 HB3 LEU 41 HB1 LEU 41 75.798 2.804 0.550 303 HG LEU 41 HG LEU 41 74.069 2.208 -0.999 304 HD11 LEU 41 HD11 LEU 41 72.411 3.663 1.016 305 HD12 LEU 41 HD12 LEU 41 73.582 2.482 1.608 306 HD13 LEU 41 HD13 LEU 41 72.315 1.985 0.485 307 HD21 LEU 41 HD21 LEU 41 72.197 4.222 -1.100 308 HD22 LEU 41 HD22 LEU 41 73.408 3.918 -2.348 309 HD23 LEU 41 HD23 LEU 41 73.704 5.135 -1.108 310 H GLY 42 HN GLY 42 77.300 4.282 2.289 311 HA2 GLY 42 HA2 GLY 42 76.540 2.514 4.399 312 HA3 GLY 42 HA1 GLY 42 78.013 3.486 4.395 313 H LYS 43 HN LYS 43 76.868 6.063 4.349 314 HA LYS 43 HA LYS 43 76.193 6.457 7.137 315 HB2 LYS 43 HB2 LYS 43 76.152 8.150 4.629 316 HB3 LYS 43 HB1 LYS 43 75.705 8.806 6.206 317 HG2 LYS 43 HG2 LYS 43 77.853 8.693 7.025 318 HG3 LYS 43 HG1 LYS 43 78.265 7.278 6.047 319 HD2 LYS 43 HD2 LYS 43 78.302 8.706 4.016 320 HD3 LYS 43 HD1 LYS 43 77.942 10.114 5.017 321 HE2 LYS 43 HE2 LYS 43 80.174 8.772 6.209 322 HE3 LYS 43 HE1 LYS 43 80.509 8.970 4.475 323 HZ1 LYS 43 HZ1 LYS 43 81.085 10.966 5.799 324 HZ2 LYS 43 HZ2 LYS 43 79.453 11.121 6.240 325 HZ3 LYS 43 HZ3 LYS 43 79.916 11.284 4.613 326 H VAL 44 HN VAL 44 74.316 6.316 4.117 327 HA VAL 44 HA VAL 44 71.768 7.171 5.050 328 HB VAL 44 HB VAL 44 72.727 5.215 2.944 329 HG11 VAL 44 HG11 VAL 44 70.485 4.482 3.506 330 HG12 VAL 44 HG12 VAL 44 70.406 5.385 1.993 331 HG13 VAL 44 HG13 VAL 44 69.897 6.145 3.499 332 HG21 VAL 44 HG21 VAL 44 71.588 8.024 2.862 333 HG22 VAL 44 HG22 VAL 44 71.954 7.057 1.435 334 HG23 VAL 44 HG23 VAL 44 73.253 7.554 2.521 335 H MET 45 HN MET 45 73.065 3.828 4.862 336 HA MET 45 HA MET 45 70.831 2.509 6.059 337 HB2 MET 45 HB2 MET 45 73.783 1.786 6.121 338 HB3 MET 45 HB1 MET 45 72.437 0.670 6.355 339 HG2 MET 45 HG2 MET 45 71.959 2.098 3.928 340 HG3 MET 45 HG1 MET 45 73.621 1.506 3.889 341 HE1 MET 45 HE1 MET 45 70.078 1.080 4.025 342 HE2 MET 45 HE2 MET 45 70.081 -0.110 5.327 343 HE3 MET 45 HE3 MET 45 69.699 -0.612 3.682 344 H ARG 46 HN ARG 46 73.917 3.482 7.652 345 HA ARG 46 HA ARG 46 73.144 2.776 10.314 346 HB2 ARG 46 HB2 ARG 46 75.197 4.349 8.914 347 HB3 ARG 46 HB1 ARG 46 74.862 4.932 10.547 348 HG2 ARG 46 HG2 ARG 46 75.776 3.101 11.517 349 HG3 ARG 46 HG1 ARG 46 75.042 2.002 10.349 350 HD2 ARG 46 HD2 ARG 46 76.918 3.387 8.821 351 HD3 ARG 46 HD1 ARG 46 77.744 3.126 10.372 352 HE ARG 46 HE ARG 46 76.532 0.944 8.719 353 HH11 ARG 46 HH11 ARG 46 76.603 0.118 11.494 354 HH12 ARG 46 HH12 ARG 46 78.196 -0.521 11.701 355 HH21 ARG 46 HH21 ARG 46 79.431 0.960 8.817 356 HH22 ARG 46 HH22 ARG 46 79.807 -0.044 10.176 357 H MET 47 HN MET 47 72.731 5.844 8.518 358 HA MET 47 HA MET 47 71.672 7.408 10.672 359 HB2 MET 47 HB2 MET 47 72.446 8.383 8.591 360 HB3 MET 47 HB1 MET 47 71.260 7.463 7.667 361 HG2 MET 47 HG2 MET 47 70.092 9.108 9.823 362 HG3 MET 47 HG1 MET 47 70.875 10.039 8.544 363 HE1 MET 47 HE1 MET 47 69.684 10.364 6.034 364 HE2 MET 47 HE2 MET 47 69.306 8.790 5.337 365 HE3 MET 47 HE3 MET 47 70.831 9.025 6.187 366 H LEU 48 HN LEU 48 70.062 5.243 8.323 367 HA LEU 48 HA LEU 48 67.361 5.852 9.235 368 HB2 LEU 48 HB2 LEU 48 68.731 3.881 7.431 369 HB3 LEU 48 HB1 LEU 48 67.063 3.567 7.908 370 HG LEU 48 HG LEU 48 67.724 6.324 6.973 371 HD11 LEU 48 HD11 LEU 48 67.696 5.766 4.668 372 HD12 LEU 48 HD12 LEU 48 67.181 4.110 4.990 373 HD13 LEU 48 HD13 LEU 48 68.822 4.617 5.388 374 HD21 LEU 48 HD21 LEU 48 65.428 5.904 5.881 375 HD22 LEU 48 HD22 LEU 48 65.466 5.956 7.642 376 HD23 LEU 48 HD23 LEU 48 65.389 4.404 6.808 377 H GLY 49 HN GLY 49 69.768 3.357 9.969 378 HA2 GLY 49 HA2 GLY 49 69.570 2.623 12.430 379 HA3 GLY 49 HA1 GLY 49 67.908 2.206 12.005 380 H GLN 50 HN GLN 50 70.875 1.742 10.093 381 HA GLN 50 HA GLN 50 70.365 -1.225 10.160 382 HB2 GLN 50 HB2 GLN 50 71.767 0.335 7.967 383 HB3 GLN 50 HB1 GLN 50 71.099 -1.292 7.872 384 HG2 GLN 50 HG2 GLN 50 69.220 0.956 8.500 385 HG3 GLN 50 HG1 GLN 50 69.810 0.806 6.846 386 HE21 GLN 50 HE21 GLN 50 68.447 -1.357 9.426 387 HE22 GLN 50 HE22 GLN 50 67.508 -2.270 8.350 388 H ASN 51 HN ASN 51 72.347 -2.534 10.226 389 HA ASN 51 HA ASN 51 74.781 -0.972 11.032 390 HB2 ASN 51 HB2 ASN 51 73.143 -2.469 12.645 391 HB3 ASN 51 HB1 ASN 51 74.376 -3.649 12.209 392 HD21 ASN 51 HD21 ASN 51 73.798 -1.916 14.766 393 HD22 ASN 51 HD22 ASN 51 75.328 -1.291 15.145 394 HA PRO 52 HA PRO 52 75.671 -4.274 7.738 395 HB2 PRO 52 HB2 PRO 52 76.087 -2.643 5.586 396 HB3 PRO 52 HB1 PRO 52 74.493 -3.312 5.987 397 HG2 PRO 52 HG2 PRO 52 75.584 -0.590 6.497 398 HG3 PRO 52 HG1 PRO 52 73.956 -1.080 6.012 399 HD2 PRO 52 HD2 PRO 52 74.640 -0.394 8.565 400 HD3 PRO 52 HD1 PRO 52 73.299 -1.486 8.154 401 H THR 53 HN THR 53 77.869 -4.774 7.315 402 HA THR 53 HA THR 53 79.903 -3.078 8.513 403 HB THR 53 HB THR 53 81.205 -5.006 7.034 404 HG1 THR 53 HG1 THR 53 79.947 -6.775 6.955 405 HG21 THR 53 HG21 THR 53 79.935 -5.788 9.624 406 HG22 THR 53 HG22 THR 53 81.052 -4.422 9.602 407 HG23 THR 53 HG23 THR 53 81.593 -6.018 9.078 408 HA PRO 54 HA PRO 54 80.992 -0.649 5.022 409 HB2 PRO 54 HB2 PRO 54 83.668 -0.273 5.482 410 HB3 PRO 54 HB1 PRO 54 82.389 0.537 6.404 411 HG2 PRO 54 HG2 PRO 54 84.018 -1.857 7.127 412 HG3 PRO 54 HG1 PRO 54 83.498 -0.497 8.139 413 HD2 PRO 54 HD2 PRO 54 82.274 -2.925 8.175 414 HD3 PRO 54 HD1 PRO 54 81.420 -1.403 8.517 415 H GLU 55 HN GLU 55 83.320 -3.338 5.631 416 HA GLU 55 HA GLU 55 84.247 -3.413 2.879 417 HB2 GLU 55 HB2 GLU 55 85.647 -5.080 3.670 418 HB3 GLU 55 HB1 GLU 55 85.225 -4.303 5.192 419 HG2 GLU 55 HG2 GLU 55 83.697 -6.676 4.089 420 HG3 GLU 55 HG1 GLU 55 85.081 -6.848 5.159 421 H GLU 56 HN GLU 56 81.475 -4.791 4.506 422 HA GLU 56 HA GLU 56 80.951 -6.704 2.300 423 HB2 GLU 56 HB2 GLU 56 79.929 -6.108 5.046 424 HB3 GLU 56 HB1 GLU 56 78.812 -6.878 3.925 425 HG2 GLU 56 HG2 GLU 56 81.562 -8.018 4.049 426 HG3 GLU 56 HG1 GLU 56 80.528 -8.289 5.451 427 H LEU 57 HN LEU 57 79.925 -3.540 3.463 428 HA LEU 57 HA LEU 57 77.417 -3.211 2.226 429 HB2 LEU 57 HB2 LEU 57 78.708 -1.666 3.783 430 HB3 LEU 57 HB1 LEU 57 79.621 -1.135 2.369 431 HG LEU 57 HG LEU 57 77.285 -0.707 1.308 432 HD11 LEU 57 HD11 LEU 57 75.695 -1.580 2.737 433 HD12 LEU 57 HD12 LEU 57 75.780 0.065 3.372 434 HD13 LEU 57 HD13 LEU 57 76.656 -1.237 4.176 435 HD21 LEU 57 HD21 LEU 57 78.678 0.895 3.429 436 HD22 LEU 57 HD22 LEU 57 77.176 1.502 2.731 437 HD23 LEU 57 HD23 LEU 57 78.570 1.198 1.694 438 H GLN 58 HN GLN 58 80.673 -2.911 0.756 439 HA GLN 58 HA GLN 58 79.909 -1.783 -1.737 440 HB2 GLN 58 HB2 GLN 58 82.228 -2.074 -0.885 441 HB3 GLN 58 HB1 GLN 58 82.080 -3.820 -1.104 442 HG2 GLN 58 HG2 GLN 58 83.227 -2.875 -3.038 443 HG3 GLN 58 HG1 GLN 58 81.630 -3.432 -3.531 444 HE21 GLN 58 HE21 GLN 58 80.702 -1.936 -4.941 445 HE22 GLN 58 HE22 GLN 58 80.828 -0.251 -4.792 446 H GLU 59 HN GLU 59 80.337 -5.257 -0.900 447 HA GLU 59 HA GLU 59 79.297 -6.287 -3.377 448 HB2 GLU 59 HB2 GLU 59 80.685 -7.547 -1.738 449 HB3 GLU 59 HB1 GLU 59 79.365 -7.477 -0.570 450 HG2 GLU 59 HG2 GLU 59 79.059 -9.591 -1.540 451 HG3 GLU 59 HG1 GLU 59 77.953 -8.586 -2.476 452 H MET 60 HN MET 60 77.781 -5.464 -0.260 453 HA MET 60 HA MET 60 75.164 -6.468 -0.652 454 HB2 MET 60 HB2 MET 60 76.588 -4.545 1.011 455 HB3 MET 60 HB1 MET 60 74.939 -4.012 0.686 456 HG2 MET 60 HG2 MET 60 74.387 -6.563 1.239 457 HG3 MET 60 HG1 MET 60 75.893 -6.438 2.151 458 HE1 MET 60 HE1 MET 60 73.087 -4.508 0.987 459 HE2 MET 60 HE2 MET 60 73.205 -3.091 2.028 460 HE3 MET 60 HE3 MET 60 72.002 -4.333 2.374 461 H ILE 61 HN ILE 61 76.399 -3.185 -1.463 462 HA ILE 61 HA ILE 61 73.974 -2.319 -2.768 463 HB ILE 61 HB ILE 61 76.866 -1.434 -2.698 464 HG12 ILE 61 HG12 ILE 61 74.262 -0.167 -1.784 465 HG13 ILE 61 HG11 ILE 61 75.380 -1.049 -0.746 466 HG21 ILE 61 HG21 ILE 61 75.567 0.701 -3.809 467 HG22 ILE 61 HG22 ILE 61 74.752 -0.635 -4.620 468 HG23 ILE 61 HG23 ILE 61 76.503 -0.467 -4.743 469 HD11 ILE 61 HD11 ILE 61 75.863 1.289 -0.467 470 HD12 ILE 61 HD12 ILE 61 75.904 1.550 -2.210 471 HD13 ILE 61 HD13 ILE 61 77.172 0.601 -1.431 472 H ASP 62 HN ASP 62 77.057 -3.658 -4.034 473 HA ASP 62 HA ASP 62 76.453 -3.501 -6.815 474 HB2 ASP 62 HB2 ASP 62 78.229 -5.060 -5.009 475 HB3 ASP 62 HB1 ASP 62 77.963 -5.747 -6.611 476 H GLU 63 HN GLU 63 75.743 -6.092 -4.452 477 HA GLU 63 HA GLU 63 74.496 -7.882 -6.357 478 HB2 GLU 63 HB2 GLU 63 74.596 -7.543 -3.361 479 HB3 GLU 63 HB1 GLU 63 73.549 -8.769 -4.081 480 HG2 GLU 63 HG2 GLU 63 75.545 -9.641 -5.339 481 HG3 GLU 63 HG1 GLU 63 76.552 -8.515 -4.426 482 H VAL 64 HN VAL 64 73.287 -5.298 -4.229 483 HA VAL 64 HA VAL 64 70.471 -5.813 -4.726 484 HB VAL 64 HB VAL 64 72.125 -3.534 -3.615 485 HG11 VAL 64 HG11 VAL 64 69.664 -2.897 -2.757 486 HG12 VAL 64 HG12 VAL 64 69.222 -3.610 -4.307 487 HG13 VAL 64 HG13 VAL 64 70.330 -2.238 -4.251 488 HG21 VAL 64 HG21 VAL 64 71.602 -5.856 -2.470 489 HG22 VAL 64 HG22 VAL 64 70.033 -5.111 -2.156 490 HG23 VAL 64 HG23 VAL 64 71.505 -4.365 -1.533 491 H ASP 65 HN ASP 65 72.924 -3.704 -6.228 492 HA ASP 65 HA ASP 65 71.176 -2.158 -7.902 493 HB2 ASP 65 HB2 ASP 65 73.646 -1.838 -7.285 494 HB3 ASP 65 HB1 ASP 65 74.008 -3.048 -8.519 495 H GLU 66 HN GLU 66 69.679 -3.324 -9.108 496 HA GLU 66 HA GLU 66 70.446 -5.801 -10.530 497 HB2 GLU 66 HB2 GLU 66 67.950 -4.247 -9.923 498 HB3 GLU 66 HB1 GLU 66 67.912 -5.452 -11.211 499 HG2 GLU 66 HG2 GLU 66 69.151 -6.900 -9.302 500 HG3 GLU 66 HG1 GLU 66 68.203 -5.824 -8.275 501 H ASP 67 HN ASP 67 69.611 -2.437 -11.333 502 HA ASP 67 HA ASP 67 69.386 -2.853 -14.183 503 HB2 ASP 67 HB2 ASP 67 69.314 -0.432 -14.249 504 HB3 ASP 67 HB1 ASP 67 68.433 -0.964 -12.823 505 H GLY 68 HN GLY 68 72.150 -2.523 -12.073 506 HA2 GLY 68 HA2 GLY 68 74.415 -2.904 -12.630 507 HA3 GLY 68 HA1 GLY 68 73.954 -2.987 -14.328 508 H SER 69 HN SER 69 73.496 -0.340 -11.960 509 HA SER 69 HA SER 69 74.918 1.459 -13.887 510 HB2 SER 69 HB2 SER 69 73.570 3.218 -12.949 511 HB3 SER 69 HB1 SER 69 72.500 1.849 -13.226 512 HG SER 69 HG SER 69 72.938 3.134 -10.969 513 H GLY 70 HN GLY 70 74.885 0.419 -10.471 514 HA2 GLY 70 HA2 GLY 70 77.070 0.368 -9.293 515 HA3 GLY 70 HA1 GLY 70 77.504 1.841 -10.157 516 H THR 71 HN THR 71 74.713 2.953 -9.682 517 HA THR 71 HA THR 71 75.176 3.823 -6.848 518 HB THR 71 HB THR 71 73.819 5.812 -7.626 519 HG1 THR 71 HG1 THR 71 72.837 5.583 -9.452 520 HG21 THR 71 HG21 THR 71 76.492 5.006 -8.534 521 HG22 THR 71 HG22 THR 71 75.960 6.521 -7.809 522 HG23 THR 71 HG23 THR 71 75.752 6.254 -9.539 523 H VAL 72 HN VAL 72 73.361 3.892 -5.407 524 HA VAL 72 HA VAL 72 71.214 1.960 -6.042 525 HB VAL 72 HB VAL 72 71.998 3.507 -3.556 526 HG11 VAL 72 HG11 VAL 72 69.968 1.291 -3.967 527 HG12 VAL 72 HG12 VAL 72 69.636 2.941 -3.445 528 HG13 VAL 72 HG13 VAL 72 70.526 1.842 -2.387 529 HG21 VAL 72 HG21 VAL 72 72.519 0.682 -4.523 530 HG22 VAL 72 HG22 VAL 72 72.716 1.163 -2.837 531 HG23 VAL 72 HG23 VAL 72 73.705 1.913 -4.088 532 H ASP 73 HN ASP 73 69.130 2.533 -6.519 533 HA ASP 73 HA ASP 73 68.343 5.402 -6.125 534 HB2 ASP 73 HB2 ASP 73 66.725 4.086 -8.108 535 HB3 ASP 73 HB1 ASP 73 67.828 5.436 -8.328 536 H PHE 74 HN PHE 74 65.616 5.140 -6.560 537 HA PHE 74 HA PHE 74 64.588 4.294 -4.059 538 HB2 PHE 74 HB2 PHE 74 63.630 5.865 -5.812 539 HB3 PHE 74 HB1 PHE 74 63.111 4.430 -6.698 540 HD1 PHE 74 HD2 PHE 74 63.038 5.670 -3.145 541 HD2 PHE 74 HD1 PHE 74 60.927 3.770 -6.366 542 HE1 PHE 74 HE2 PHE 74 61.017 5.495 -1.721 543 HE2 PHE 74 HE1 PHE 74 58.903 3.596 -4.942 544 HZ PHE 74 HZ PHE 74 58.950 4.465 -2.618 545 H ASP 75 HN ASP 75 64.694 2.507 -7.166 546 HA ASP 75 HA ASP 75 63.142 0.242 -6.347 547 HB2 ASP 75 HB2 ASP 75 65.248 0.838 -8.415 548 HB3 ASP 75 HB1 ASP 75 64.715 -0.830 -8.191 549 H GLU 76 HN GLU 76 66.717 0.612 -6.470 550 HA GLU 76 HA GLU 76 67.299 -1.876 -5.169 551 HB2 GLU 76 HB2 GLU 76 68.745 0.685 -5.770 552 HB3 GLU 76 HB1 GLU 76 69.519 -0.514 -4.735 553 HG2 GLU 76 HG2 GLU 76 69.982 -1.856 -6.491 554 HG3 GLU 76 HG1 GLU 76 68.323 -1.770 -7.074 555 H PHE 77 HN PHE 77 66.934 1.440 -3.839 556 HA PHE 77 HA PHE 77 67.756 0.923 -1.175 557 HB2 PHE 77 HB2 PHE 77 67.220 3.132 -2.233 558 HB3 PHE 77 HB1 PHE 77 65.512 2.720 -2.156 559 HD1 PHE 77 HD1 PHE 77 68.252 2.140 0.349 560 HD2 PHE 77 HD2 PHE 77 64.565 4.156 -0.560 561 HE1 PHE 77 HE1 PHE 77 68.146 3.015 2.671 562 HE2 PHE 77 HE2 PHE 77 64.461 5.023 1.759 563 HZ PHE 77 HZ PHE 77 66.250 4.452 3.374 564 H LEU 78 HN LEU 78 64.540 0.401 -2.684 565 HA LEU 78 HA LEU 78 63.086 -0.341 -0.343 566 HB2 LEU 78 HB2 LEU 78 62.906 -0.656 -3.281 567 HB3 LEU 78 HB1 LEU 78 61.999 -1.853 -2.356 568 HG LEU 78 HG LEU 78 61.754 0.995 -1.494 569 HD11 LEU 78 HD11 LEU 78 61.458 1.448 -3.779 570 HD12 LEU 78 HD12 LEU 78 59.815 1.116 -3.234 571 HD13 LEU 78 HD13 LEU 78 60.726 -0.125 -4.093 572 HD21 LEU 78 HD21 LEU 78 60.612 -1.078 -0.465 573 HD22 LEU 78 HD22 LEU 78 59.614 -1.104 -1.918 574 HD23 LEU 78 HD23 LEU 78 59.570 0.293 -0.843 575 H VAL 79 HN VAL 79 65.008 -2.366 -2.594 576 HA VAL 79 HA VAL 79 64.519 -4.827 -1.085 577 HB VAL 79 HB VAL 79 66.382 -3.989 -3.331 578 HG11 VAL 79 HG11 VAL 79 67.641 -5.746 -2.504 579 HG12 VAL 79 HG12 VAL 79 66.511 -6.640 -3.520 580 HG13 VAL 79 HG13 VAL 79 66.249 -6.547 -1.778 581 HG21 VAL 79 HG21 VAL 79 63.904 -5.741 -3.197 582 HG22 VAL 79 HG22 VAL 79 64.886 -5.504 -4.645 583 HG23 VAL 79 HG23 VAL 79 64.022 -4.142 -3.935 584 H MET 80 HN MET 80 67.091 -2.382 -1.267 585 HA MET 80 HA MET 80 69.099 -3.741 0.255 586 HB2 MET 80 HB2 MET 80 69.300 -1.660 -1.161 587 HB3 MET 80 HB1 MET 80 68.489 -0.770 0.128 588 HG2 MET 80 HG2 MET 80 70.381 -0.655 1.351 589 HG3 MET 80 HG1 MET 80 70.680 -2.385 1.169 590 HE1 MET 80 HE1 MET 80 73.549 0.281 0.241 591 HE2 MET 80 HE2 MET 80 73.710 -1.371 0.834 592 HE3 MET 80 HE3 MET 80 72.532 -0.292 1.570 593 H MET 81 HN MET 81 66.348 -1.701 1.248 594 HA MET 81 HA MET 81 66.958 -1.406 4.017 595 HB2 MET 81 HB2 MET 81 64.477 -1.446 2.307 596 HB3 MET 81 HB1 MET 81 64.316 -1.334 4.062 597 HG2 MET 81 HG2 MET 81 66.267 0.483 2.697 598 HG3 MET 81 HG1 MET 81 64.548 0.860 2.579 599 HE1 MET 81 HE1 MET 81 67.301 2.285 4.279 600 HE2 MET 81 HE2 MET 81 67.680 0.592 4.570 601 HE3 MET 81 HE3 MET 81 67.367 1.656 5.935 602 H VAL 82 HN VAL 82 64.797 -3.849 2.478 603 HA VAL 82 HA VAL 82 64.449 -5.434 4.860 604 HB VAL 82 HB VAL 82 63.619 -7.147 3.223 605 HG11 VAL 82 HG11 VAL 82 62.326 -5.043 4.012 606 HG12 VAL 82 HG12 VAL 82 61.702 -5.923 2.618 607 HG13 VAL 82 HG13 VAL 82 62.619 -4.433 2.385 608 HG21 VAL 82 HG21 VAL 82 63.711 -6.755 0.864 609 HG22 VAL 82 HG22 VAL 82 65.349 -6.501 1.459 610 HG23 VAL 82 HG23 VAL 82 64.321 -5.116 1.093 611 H ARG 83 HN ARG 83 66.949 -5.391 2.374 612 HA ARG 83 HA ARG 83 68.126 -7.968 2.927 613 HB2 ARG 83 HB2 ARG 83 68.586 -5.607 1.315 614 HB3 ARG 83 HB1 ARG 83 70.101 -6.112 2.064 615 HG2 ARG 83 HG2 ARG 83 69.151 -8.525 1.293 616 HG3 ARG 83 HG1 ARG 83 68.433 -7.509 0.041 617 HD2 ARG 83 HD2 ARG 83 70.452 -7.109 -0.946 618 HD3 ARG 83 HD1 ARG 83 71.279 -6.916 0.614 619 HE ARG 83 HE ARG 83 70.604 -9.619 0.516 620 HH11 ARG 83 HH11 ARG 83 73.450 -8.772 0.552 621 HH12 ARG 83 HH12 ARG 83 74.038 -9.370 -0.965 622 HH21 ARG 83 HH21 ARG 83 70.865 -9.786 -2.310 623 HH22 ARG 83 HH22 ARG 83 72.565 -9.961 -2.586 624 H SER 84 HN SER 84 68.846 -4.663 4.124 625 HA SER 84 HA SER 84 70.956 -5.525 5.931 626 HB2 SER 84 HB2 SER 84 70.277 -3.202 4.790 627 HB3 SER 84 HB1 SER 84 69.427 -2.991 6.317 628 HG SER 84 HG SER 84 71.972 -2.603 5.852 629 H MET 85 HN MET 85 67.449 -5.141 6.220 630 HA MET 85 HA MET 85 67.029 -4.822 8.951 631 HB2 MET 85 HB2 MET 85 65.684 -6.289 6.731 632 HB3 MET 85 HB1 MET 85 65.108 -6.611 8.364 633 HG2 MET 85 HG2 MET 85 65.206 -3.937 8.510 634 HG3 MET 85 HG1 MET 85 64.975 -4.090 6.769 635 HE1 MET 85 HE1 MET 85 63.100 -4.273 5.672 636 HE2 MET 85 HE2 MET 85 62.471 -2.982 6.687 637 HE3 MET 85 HE3 MET 85 61.449 -4.366 6.309 638 H LYS 86 HN LYS 86 67.320 -8.048 7.385 639 HA LYS 86 HA LYS 86 67.862 -10.161 8.317 640 HB2 LYS 86 HB2 LYS 86 69.959 -8.528 8.192 641 HB3 LYS 86 HB1 LYS 86 69.904 -8.689 9.944 642 HG2 LYS 86 HG2 LYS 86 71.221 -10.519 9.469 643 HG3 LYS 86 HG1 LYS 86 69.637 -11.276 9.317 644 HD2 LYS 86 HD2 LYS 86 70.612 -11.931 7.315 645 HD3 LYS 86 HD1 LYS 86 69.821 -10.435 6.816 646 HE2 LYS 86 HE2 LYS 86 72.468 -9.895 7.910 647 HE3 LYS 86 HE1 LYS 86 72.549 -11.022 6.537 648 HZ1 LYS 86 HZ1 LYS 86 70.959 -9.490 5.371 649 HZ2 LYS 86 HZ2 LYS 86 72.508 -8.838 5.631 650 HZ3 LYS 86 HZ3 LYS 86 71.213 -8.368 6.620 651 H ASP 87 HN ASP 87 65.693 -9.062 9.757 652 HA ASP 87 HA ASP 87 64.508 -9.432 11.754 653 HB2 ASP 87 HB2 ASP 87 65.745 -11.625 11.508 654 HB3 ASP 87 HB1 ASP 87 66.981 -10.977 12.582 655 H ASP 88 HN ASP 88 67.884 -9.261 13.033 656 HA ASP 88 HA ASP 88 67.017 -7.221 14.992 657 HB2 ASP 88 HB2 ASP 88 68.665 -9.276 15.209 658 HB3 ASP 88 HB1 ASP 88 69.849 -8.135 14.570 659 H SER 89 HN SER 89 69.368 -7.425 12.299 660 HA SER 89 HA SER 89 70.190 -5.749 10.859 661 HB2 SER 89 HB2 SER 89 67.736 -4.856 11.526 662 HB3 SER 89 HB1 SER 89 68.699 -3.596 12.288 663 HG SER 89 HG SER 89 69.691 -4.125 9.852 Start of MODEL 10 1 H1 MET 1 HT1 MET 1 65.460 -19.509 -3.317 2 H2 MET 1 HT2 MET 1 65.497 -17.816 -3.452 3 H3 MET 1 HT3 MET 1 65.589 -18.781 -4.844 4 HA MET 1 HA MET 1 63.347 -19.329 -4.805 5 HB2 MET 1 HB2 MET 1 63.957 -19.117 -1.929 6 HB3 MET 1 HB1 MET 1 62.327 -18.580 -2.345 7 HG2 MET 1 HG2 MET 1 63.248 -21.099 -3.628 8 HG3 MET 1 HG1 MET 1 62.936 -21.173 -1.894 9 HE1 MET 1 HE1 MET 1 61.840 -22.770 -3.901 10 HE2 MET 1 HE2 MET 1 60.164 -22.560 -4.408 11 HE3 MET 1 HE3 MET 1 60.528 -23.015 -2.743 12 H ASP 2 HN ASP 2 61.426 -17.875 -4.970 13 HA ASP 2 HA ASP 2 62.240 -14.998 -5.074 14 HB2 ASP 2 HB2 ASP 2 61.503 -15.890 -7.176 15 HB3 ASP 2 HB1 ASP 2 60.110 -16.674 -6.432 16 H ASP 3 HN ASP 3 59.530 -17.087 -3.999 17 HA ASP 3 HA ASP 3 57.835 -15.134 -2.883 18 HB2 ASP 3 HB2 ASP 3 58.481 -17.972 -2.057 19 HB3 ASP 3 HB1 ASP 3 57.112 -17.061 -1.419 20 H ILE 4 HN ILE 4 60.733 -16.631 -1.422 21 HA ILE 4 HA ILE 4 60.402 -15.704 1.247 22 HB ILE 4 HB ILE 4 62.927 -15.891 1.305 23 HG12 ILE 4 HG12 ILE 4 62.658 -16.703 -1.603 24 HG13 ILE 4 HG11 ILE 4 63.207 -15.105 -1.104 25 HG21 ILE 4 HG21 ILE 4 61.501 -17.855 1.670 26 HG22 ILE 4 HG22 ILE 4 62.956 -18.310 0.783 27 HG23 ILE 4 HG23 ILE 4 61.421 -18.138 -0.069 28 HD11 ILE 4 HD11 ILE 4 64.946 -17.065 -1.545 29 HD12 ILE 4 HD12 ILE 4 64.533 -17.497 0.111 30 HD13 ILE 4 HD13 ILE 4 65.207 -15.906 -0.244 31 H TYR 5 HN TYR 5 61.776 -14.038 -1.601 32 HA TYR 5 HA TYR 5 62.452 -11.620 -0.079 33 HB2 TYR 5 HB2 TYR 5 62.683 -12.702 -2.821 34 HB3 TYR 5 HB1 TYR 5 62.438 -10.958 -2.756 35 HD1 TYR 5 HD1 TYR 5 64.020 -9.511 -1.463 36 HD2 TYR 5 HD2 TYR 5 64.748 -13.699 -2.083 37 HE1 TYR 5 HE1 TYR 5 66.399 -9.194 -0.831 38 HE2 TYR 5 HE2 TYR 5 67.124 -13.379 -1.447 39 HH TYR 5 HH TYR 5 68.735 -10.959 -1.569 40 H LYS 6 HN LYS 6 59.832 -12.726 -2.220 41 HA LYS 6 HA LYS 6 58.397 -10.296 -2.572 42 HB2 LYS 6 HB2 LYS 6 58.087 -12.692 -3.544 43 HB3 LYS 6 HB1 LYS 6 57.127 -12.999 -2.096 44 HG2 LYS 6 HG2 LYS 6 55.730 -10.994 -2.669 45 HG3 LYS 6 HG1 LYS 6 56.607 -10.874 -4.195 46 HD2 LYS 6 HD2 LYS 6 55.132 -13.368 -3.299 47 HD3 LYS 6 HD1 LYS 6 54.424 -12.142 -4.351 48 HE2 LYS 6 HE2 LYS 6 55.730 -12.746 -6.161 49 HE3 LYS 6 HE1 LYS 6 57.100 -13.229 -5.138 50 HZ1 LYS 6 HZ1 LYS 6 55.635 -15.075 -4.302 51 HZ2 LYS 6 HZ2 LYS 6 56.117 -15.228 -5.921 52 HZ3 LYS 6 HZ3 LYS 6 54.548 -14.695 -5.550 53 H ALA 7 HN ALA 7 58.501 -12.554 0.160 54 HA ALA 7 HA ALA 7 56.268 -11.701 1.679 55 HB1 ALA 7 HB1 ALA 7 57.707 -13.645 2.168 56 HB2 ALA 7 HB2 ALA 7 57.602 -12.591 3.576 57 HB3 ALA 7 HB3 ALA 7 59.045 -12.567 2.562 58 H ALA 8 HN ALA 8 59.631 -10.422 1.755 59 HA ALA 8 HA ALA 8 59.286 -8.427 3.747 60 HB1 ALA 8 HB1 ALA 8 61.283 -7.436 2.683 61 HB2 ALA 8 HB2 ALA 8 61.012 -8.420 1.245 62 HB3 ALA 8 HB3 ALA 8 61.433 -9.188 2.774 63 H VAL 9 HN VAL 9 59.160 -7.940 0.177 64 HA VAL 9 HA VAL 9 58.320 -5.240 0.156 65 HB VAL 9 HB VAL 9 57.665 -7.558 -1.706 66 HG11 VAL 9 HG11 VAL 9 57.269 -5.853 -3.425 67 HG12 VAL 9 HG12 VAL 9 57.577 -4.570 -2.256 68 HG13 VAL 9 HG13 VAL 9 56.160 -5.607 -2.075 69 HG21 VAL 9 HG21 VAL 9 59.962 -5.646 -1.391 70 HG22 VAL 9 HG22 VAL 9 59.555 -6.236 -3.004 71 HG23 VAL 9 HG23 VAL 9 59.989 -7.375 -1.732 72 H GLU 10 HN GLU 10 56.314 -8.202 0.298 73 HA GLU 10 HA GLU 10 53.760 -6.851 0.272 74 HB2 GLU 10 HB2 GLU 10 54.275 -9.247 -0.277 75 HB3 GLU 10 HB1 GLU 10 54.563 -9.533 1.439 76 HG2 GLU 10 HG2 GLU 10 52.016 -8.183 0.979 77 HG3 GLU 10 HG1 GLU 10 52.105 -9.728 0.134 78 H GLN 11 HN GLN 11 55.883 -8.005 2.890 79 HA GLN 11 HA GLN 11 54.133 -7.401 5.088 80 HB2 GLN 11 HB2 GLN 11 56.870 -8.271 4.547 81 HB3 GLN 11 HB1 GLN 11 56.791 -7.220 5.960 82 HG2 GLN 11 HG2 GLN 11 56.294 -9.224 6.984 83 HG3 GLN 11 HG1 GLN 11 54.662 -8.764 6.496 84 HE21 GLN 11 HE21 GLN 11 53.824 -9.761 4.440 85 HE22 GLN 11 HE22 GLN 11 54.465 -11.241 3.912 86 H LEU 12 HN LEU 12 56.447 -5.422 3.258 87 HA LEU 12 HA LEU 12 56.723 -3.235 5.082 88 HB2 LEU 12 HB2 LEU 12 56.769 -3.464 2.055 89 HB3 LEU 12 HB1 LEU 12 57.224 -1.989 2.908 90 HG LEU 12 HG LEU 12 58.514 -4.680 3.453 91 HD11 LEU 12 HD11 LEU 12 58.773 -3.382 1.080 92 HD12 LEU 12 HD12 LEU 12 60.069 -4.324 1.819 93 HD13 LEU 12 HD13 LEU 12 60.027 -2.572 2.018 94 HD21 LEU 12 HD21 LEU 12 58.938 -1.851 4.353 95 HD22 LEU 12 HD22 LEU 12 60.336 -2.919 4.222 96 HD23 LEU 12 HD23 LEU 12 59.001 -3.341 5.293 97 H THR 13 HN THR 13 55.161 -1.827 5.803 98 HA THR 13 HA THR 13 52.491 -1.800 4.554 99 HB THR 13 HB THR 13 51.980 -0.347 6.513 100 HG1 THR 13 HG1 THR 13 53.569 0.320 7.821 101 HG21 THR 13 HG21 THR 13 52.036 -2.090 8.044 102 HG22 THR 13 HG22 THR 13 53.677 -2.562 7.603 103 HG23 THR 13 HG23 THR 13 52.327 -2.980 6.550 104 H GLU 14 HN GLU 14 51.407 0.266 4.056 105 HA GLU 14 HA GLU 14 52.750 1.864 2.130 106 HB2 GLU 14 HB2 GLU 14 50.230 1.955 3.732 107 HB3 GLU 14 HB1 GLU 14 50.680 3.405 2.835 108 HG2 GLU 14 HG2 GLU 14 49.634 2.382 1.089 109 HG3 GLU 14 HG1 GLU 14 51.129 1.456 0.960 110 H GLU 15 HN GLU 15 52.071 2.560 5.590 111 HA GLU 15 HA GLU 15 53.176 5.198 5.678 112 HB2 GLU 15 HB2 GLU 15 52.348 3.046 7.502 113 HB3 GLU 15 HB1 GLU 15 53.661 4.025 8.155 114 HG2 GLU 15 HG2 GLU 15 51.243 5.330 6.910 115 HG3 GLU 15 HG1 GLU 15 51.226 4.810 8.595 116 H GLN 16 HN GLN 16 54.680 1.983 6.093 117 HA GLN 16 HA GLN 16 57.317 2.990 6.744 118 HB2 GLN 16 HB2 GLN 16 57.058 0.806 7.425 119 HB3 GLN 16 HB1 GLN 16 55.939 0.426 6.119 120 HG2 GLN 16 HG2 GLN 16 57.584 -0.432 4.849 121 HG3 GLN 16 HG1 GLN 16 58.617 0.974 5.104 122 HE21 GLN 16 HE21 GLN 16 60.373 0.726 6.518 123 HE22 GLN 16 HE22 GLN 16 60.627 -0.642 7.491 124 H LYS 17 HN LYS 17 55.637 2.110 3.738 125 HA LYS 17 HA LYS 17 57.973 2.329 2.017 126 HB2 LYS 17 HB2 LYS 17 55.039 1.941 1.813 127 HB3 LYS 17 HB1 LYS 17 55.780 2.707 0.411 128 HG2 LYS 17 HG2 LYS 17 56.733 0.771 -0.250 129 HG3 LYS 17 HG1 LYS 17 57.385 0.471 1.359 130 HD2 LYS 17 HD2 LYS 17 55.437 -0.659 2.071 131 HD3 LYS 17 HD1 LYS 17 54.461 0.018 0.765 132 HE2 LYS 17 HE2 LYS 17 55.822 -1.287 -0.888 133 HE3 LYS 17 HE1 LYS 17 56.676 -2.047 0.471 134 HZ1 LYS 17 HZ1 LYS 17 54.330 -2.521 1.353 135 HZ2 LYS 17 HZ2 LYS 17 54.908 -3.486 0.077 136 HZ3 LYS 17 HZ3 LYS 17 53.812 -2.227 -0.234 137 H ASN 18 HN ASN 18 55.494 4.592 3.181 138 HA ASN 18 HA ASN 18 56.134 6.755 1.359 139 HB2 ASN 18 HB2 ASN 18 54.203 7.464 2.308 140 HB3 ASN 18 HB1 ASN 18 54.283 6.131 3.455 141 HD21 ASN 18 HD21 ASN 18 54.819 6.638 5.630 142 HD22 ASN 18 HD22 ASN 18 55.187 8.206 6.162 143 H GLU 19 HN GLU 19 57.121 6.058 4.756 144 HA GLU 19 HA GLU 19 58.844 8.365 5.011 145 HB2 GLU 19 HB2 GLU 19 59.578 7.269 7.043 146 HB3 GLU 19 HB1 GLU 19 57.862 6.927 6.857 147 HG2 GLU 19 HG2 GLU 19 58.360 4.739 7.035 148 HG3 GLU 19 HG1 GLU 19 59.169 4.856 5.477 149 H PHE 20 HN PHE 20 59.268 5.176 3.625 150 HA PHE 20 HA PHE 20 62.123 5.034 3.459 151 HB2 PHE 20 HB2 PHE 20 59.741 3.724 2.451 152 HB3 PHE 20 HB1 PHE 20 60.926 3.877 1.158 153 HD1 PHE 20 HD1 PHE 20 61.077 3.166 4.856 154 HD2 PHE 20 HD2 PHE 20 62.230 1.982 0.890 155 HE1 PHE 20 HE1 PHE 20 62.337 1.246 5.794 156 HE2 PHE 20 HE2 PHE 20 63.492 0.064 1.828 157 HZ PHE 20 HZ PHE 20 63.540 -0.306 4.279 158 H LYS 21 HN LYS 21 59.656 6.542 1.390 159 HA LYS 21 HA LYS 21 61.552 7.451 -0.649 160 HB2 LYS 21 HB2 LYS 21 58.981 6.872 -0.730 161 HB3 LYS 21 HB1 LYS 21 58.779 8.540 -0.192 162 HG2 LYS 21 HG2 LYS 21 60.714 8.261 -2.382 163 HG3 LYS 21 HG1 LYS 21 59.085 7.737 -2.821 164 HD2 LYS 21 HD2 LYS 21 58.162 9.872 -2.037 165 HD3 LYS 21 HD1 LYS 21 59.772 10.401 -1.546 166 HE2 LYS 21 HE2 LYS 21 60.520 10.116 -3.944 167 HE3 LYS 21 HE1 LYS 21 58.821 9.828 -4.373 168 HZ1 LYS 21 HZ1 LYS 21 59.560 12.211 -4.502 169 HZ2 LYS 21 HZ2 LYS 21 59.730 12.186 -2.816 170 HZ3 LYS 21 HZ3 LYS 21 58.203 11.937 -3.518 171 H ALA 22 HN ALA 22 59.856 8.867 2.145 172 HA ALA 22 HA ALA 22 60.451 11.602 1.837 173 HB1 ALA 22 HB1 ALA 22 59.018 10.510 3.571 174 HB2 ALA 22 HB2 ALA 22 60.165 11.652 4.276 175 HB3 ALA 22 HB3 ALA 22 60.478 9.919 4.367 176 H ALA 23 HN ALA 23 62.470 9.030 3.291 177 HA ALA 23 HA ALA 23 64.695 10.751 3.985 178 HB1 ALA 23 HB1 ALA 23 64.265 8.556 5.019 179 HB2 ALA 23 HB2 ALA 23 65.846 8.547 4.236 180 HB3 ALA 23 HB3 ALA 23 64.475 7.763 3.455 181 H PHE 24 HN PHE 24 63.877 8.761 1.150 182 HA PHE 24 HA PHE 24 66.314 8.931 -0.297 183 HB2 PHE 24 HB2 PHE 24 64.089 7.630 -0.666 184 HB3 PHE 24 HB1 PHE 24 63.575 9.070 -1.543 185 HD1 PHE 24 HD2 PHE 24 66.112 6.361 -1.431 186 HD2 PHE 24 HD1 PHE 24 64.437 9.591 -3.707 187 HE1 PHE 24 HE2 PHE 24 67.374 5.608 -3.427 188 HE2 PHE 24 HE1 PHE 24 65.697 8.839 -5.708 189 HZ PHE 24 HZ PHE 24 67.166 6.848 -5.566 190 H ASP 25 HN ASP 25 63.546 11.199 -0.215 191 HA ASP 25 HA ASP 25 64.494 12.997 -2.230 192 HB2 ASP 25 HB2 ASP 25 62.699 13.323 0.193 193 HB3 ASP 25 HB1 ASP 25 62.910 14.580 -1.025 194 H ILE 26 HN ILE 26 65.359 12.695 1.209 195 HA ILE 26 HA ILE 26 66.475 15.267 1.664 196 HB ILE 26 HB ILE 26 66.638 12.544 2.787 197 HG12 ILE 26 HG12 ILE 26 66.774 15.230 4.168 198 HG13 ILE 26 HG11 ILE 26 65.262 14.568 3.557 199 HG21 ILE 26 HG21 ILE 26 68.788 14.440 3.705 200 HG22 ILE 26 HG22 ILE 26 69.113 13.329 2.378 201 HG23 ILE 26 HG23 ILE 26 68.660 12.702 3.960 202 HD11 ILE 26 HD11 ILE 26 65.740 14.071 6.000 203 HD12 ILE 26 HD12 ILE 26 67.077 13.060 5.455 204 HD13 ILE 26 HD13 ILE 26 65.421 12.654 4.998 205 H PHE 27 HN PHE 27 68.011 12.386 0.156 206 HA PHE 27 HA PHE 27 70.443 14.004 -0.376 207 HB2 PHE 27 HB2 PHE 27 70.538 11.393 -1.593 208 HB3 PHE 27 HB1 PHE 27 71.518 12.036 -0.287 209 HD1 PHE 27 HD2 PHE 27 70.649 11.870 2.099 210 HD2 PHE 27 HD1 PHE 27 68.838 9.775 -1.185 211 HE1 PHE 27 HE2 PHE 27 69.554 10.317 3.692 212 HE2 PHE 27 HE1 PHE 27 67.754 8.220 0.410 213 HZ PHE 27 HZ PHE 27 68.110 8.485 2.846 214 H VAL 28 HN VAL 28 67.530 13.103 -1.999 215 HA VAL 28 HA VAL 28 68.616 13.369 -4.719 216 HB VAL 28 HB VAL 28 65.851 13.137 -3.499 217 HG11 VAL 28 HG11 VAL 28 64.956 12.925 -5.746 218 HG12 VAL 28 HG12 VAL 28 66.569 13.078 -6.445 219 HG13 VAL 28 HG13 VAL 28 65.820 14.457 -5.641 220 HG21 VAL 28 HG21 VAL 28 66.764 11.102 -5.382 221 HG22 VAL 28 HG22 VAL 28 66.151 10.911 -3.742 222 HG23 VAL 28 HG23 VAL 28 67.856 11.269 -4.010 223 H GLN 29 HN GLN 29 66.818 15.377 -2.399 224 HA GLN 29 HA GLN 29 66.102 17.569 -4.048 225 HB2 GLN 29 HB2 GLN 29 65.459 17.048 -1.659 226 HB3 GLN 29 HB1 GLN 29 67.054 17.613 -1.168 227 HG2 GLN 29 HG2 GLN 29 65.481 19.438 -0.909 228 HG3 GLN 29 HG1 GLN 29 66.554 19.815 -2.251 229 HE21 GLN 29 HE21 GLN 29 65.563 20.269 -4.255 230 HE22 GLN 29 HE22 GLN 29 63.917 20.010 -4.580 231 H GLY 30 HN GLY 30 69.107 17.124 -2.117 232 HA2 GLY 30 HA2 GLY 30 70.343 19.463 -3.460 233 HA3 GLY 30 HA1 GLY 30 71.035 18.554 -2.116 234 H ALA 31 HN ALA 31 69.912 17.716 -5.420 235 HA ALA 31 HA ALA 31 72.620 16.734 -6.114 236 HB1 ALA 31 HB1 ALA 31 70.159 14.964 -5.900 237 HB2 ALA 31 HB2 ALA 31 71.576 14.898 -4.854 238 HB3 ALA 31 HB3 ALA 31 71.715 14.449 -6.553 239 H GLU 32 HN GLU 32 72.697 16.034 -8.430 240 HA GLU 32 HA GLU 32 70.965 17.743 -10.107 241 HB2 GLU 32 HB2 GLU 32 73.323 15.923 -10.722 242 HB3 GLU 32 HB1 GLU 32 72.605 17.067 -11.852 243 HG2 GLU 32 HG2 GLU 32 73.850 18.733 -10.996 244 HG3 GLU 32 HG1 GLU 32 73.176 18.440 -9.395 245 H ASP 33 HN ASP 33 71.806 14.269 -9.880 246 HA ASP 33 HA ASP 33 69.548 13.609 -11.715 247 HB2 ASP 33 HB2 ASP 33 71.844 11.975 -10.576 248 HB3 ASP 33 HB1 ASP 33 70.693 11.410 -11.787 249 H GLY 34 HN GLY 34 70.632 13.206 -8.378 250 HA2 GLY 34 HA2 GLY 34 69.171 12.825 -6.527 251 HA3 GLY 34 HA1 GLY 34 67.927 12.266 -7.644 252 H SER 35 HN SER 35 71.307 11.261 -7.029 253 HA SER 35 HA SER 35 70.302 8.490 -6.452 254 HB2 SER 35 HB2 SER 35 71.414 9.198 -8.804 255 HB3 SER 35 HB1 SER 35 72.890 8.895 -7.888 256 HG SER 35 HG SER 35 70.715 7.135 -8.381 257 H ILE 36 HN ILE 36 71.493 7.418 -4.814 258 HA ILE 36 HA ILE 36 73.369 9.148 -3.263 259 HB ILE 36 HB ILE 36 72.047 6.510 -2.548 260 HG12 ILE 36 HG12 ILE 36 71.047 9.096 -1.448 261 HG13 ILE 36 HG11 ILE 36 70.620 8.733 -3.120 262 HG21 ILE 36 HG21 ILE 36 72.419 7.421 -0.206 263 HG22 ILE 36 HG22 ILE 36 73.420 8.678 -0.934 264 HG23 ILE 36 HG23 ILE 36 73.886 6.983 -1.078 265 HD11 ILE 36 HD11 ILE 36 68.882 7.654 -2.053 266 HD12 ILE 36 HD12 ILE 36 69.840 7.318 -0.613 267 HD13 ILE 36 HD13 ILE 36 70.064 6.343 -2.065 268 H SER 37 HN SER 37 75.523 8.661 -3.162 269 HA SER 37 HA SER 37 76.591 6.445 -4.759 270 HB2 SER 37 HB2 SER 37 77.535 8.815 -4.456 271 HB3 SER 37 HB1 SER 37 78.059 8.294 -2.855 272 HG SER 37 HG SER 37 79.208 7.850 -5.229 273 H THR 38 HN THR 38 78.312 4.998 -3.688 274 HA THR 38 HA THR 38 77.156 3.434 -1.592 275 HB THR 38 HB THR 38 79.503 2.433 -1.562 276 HG1 THR 38 HG1 THR 38 81.005 3.299 -2.890 277 HG21 THR 38 HG21 THR 38 77.910 2.852 -4.078 278 HG22 THR 38 HG22 THR 38 78.013 1.412 -3.064 279 HG23 THR 38 HG23 THR 38 79.371 1.868 -4.096 280 H LYS 39 HN LYS 39 79.739 5.911 -1.475 281 HA LYS 39 HA LYS 39 80.346 5.645 1.307 282 HB2 LYS 39 HB2 LYS 39 81.468 7.779 0.977 283 HB3 LYS 39 HB1 LYS 39 81.679 6.801 -0.472 284 HG2 LYS 39 HG2 LYS 39 80.124 8.067 -1.713 285 HG3 LYS 39 HG1 LYS 39 79.391 8.763 -0.268 286 HD2 LYS 39 HD2 LYS 39 82.295 9.289 -0.685 287 HD3 LYS 39 HD1 LYS 39 81.175 10.118 -1.766 288 HE2 LYS 39 HE2 LYS 39 80.277 10.186 1.027 289 HE3 LYS 39 HE1 LYS 39 81.852 10.971 0.795 290 HZ1 LYS 39 HZ1 LYS 39 79.835 12.400 0.335 291 HZ2 LYS 39 HZ2 LYS 39 79.556 11.429 -1.032 292 HZ3 LYS 39 HZ3 LYS 39 80.989 12.334 -0.907 293 H GLU 40 HN GLU 40 77.724 7.325 -0.360 294 HA GLU 40 HA GLU 40 76.882 8.823 2.046 295 HB2 GLU 40 HB2 GLU 40 75.868 8.465 -0.788 296 HB3 GLU 40 HB1 GLU 40 74.950 9.368 0.415 297 HG2 GLU 40 HG2 GLU 40 76.277 11.172 0.180 298 HG3 GLU 40 HG1 GLU 40 77.731 10.201 0.411 299 H LEU 41 HN LEU 41 76.037 5.888 0.279 300 HA LEU 41 HA LEU 41 73.490 5.332 1.393 301 HB2 LEU 41 HB2 LEU 41 75.228 4.229 -0.415 302 HB3 LEU 41 HB1 LEU 41 75.265 3.043 0.893 303 HG LEU 41 HG LEU 41 73.480 2.412 -0.599 304 HD11 LEU 41 HD11 LEU 41 71.996 3.852 1.587 305 HD12 LEU 41 HD12 LEU 41 73.109 2.543 1.990 306 HD13 LEU 41 HD13 LEU 41 71.726 2.234 0.937 307 HD21 LEU 41 HD21 LEU 41 71.853 3.893 -1.449 308 HD22 LEU 41 HD22 LEU 41 73.341 4.836 -1.511 309 HD23 LEU 41 HD23 LEU 41 72.180 5.110 -0.213 310 H GLY 42 HN GLY 42 76.745 4.773 2.707 311 HA2 GLY 42 HA2 GLY 42 76.048 2.958 4.783 312 HA3 GLY 42 HA1 GLY 42 77.416 4.072 4.850 313 H LYS 43 HN LYS 43 76.181 6.558 4.832 314 HA LYS 43 HA LYS 43 75.221 6.843 7.534 315 HB2 LYS 43 HB2 LYS 43 75.338 8.572 5.063 316 HB3 LYS 43 HB1 LYS 43 74.514 9.156 6.507 317 HG2 LYS 43 HG2 LYS 43 76.762 8.319 7.680 318 HG3 LYS 43 HG1 LYS 43 77.419 8.612 6.067 319 HD2 LYS 43 HD2 LYS 43 77.527 10.800 6.560 320 HD3 LYS 43 HD1 LYS 43 75.765 10.829 6.641 321 HE2 LYS 43 HE2 LYS 43 75.731 10.593 8.981 322 HE3 LYS 43 HE1 LYS 43 77.348 9.858 9.023 323 HZ1 LYS 43 HZ1 LYS 43 77.302 12.236 9.713 324 HZ2 LYS 43 HZ2 LYS 43 76.823 12.643 8.134 325 HZ3 LYS 43 HZ3 LYS 43 78.337 11.922 8.406 326 H VAL 44 HN VAL 44 73.577 6.539 4.385 327 HA VAL 44 HA VAL 44 70.902 7.140 5.186 328 HB VAL 44 HB VAL 44 72.252 5.505 3.052 329 HG11 VAL 44 HG11 VAL 44 69.822 5.224 2.116 330 HG12 VAL 44 HG12 VAL 44 69.344 5.385 3.805 331 HG13 VAL 44 HG13 VAL 44 70.414 4.070 3.315 332 HG21 VAL 44 HG21 VAL 44 71.200 8.144 3.330 333 HG22 VAL 44 HG22 VAL 44 70.237 7.303 2.115 334 HG23 VAL 44 HG23 VAL 44 71.985 7.428 1.921 335 H MET 45 HN MET 45 72.583 3.961 5.032 336 HA MET 45 HA MET 45 70.478 2.361 6.077 337 HB2 MET 45 HB2 MET 45 73.484 2.069 6.424 338 HB3 MET 45 HB1 MET 45 72.301 0.769 6.574 339 HG2 MET 45 HG2 MET 45 71.767 1.989 4.102 340 HG3 MET 45 HG1 MET 45 73.522 1.837 4.182 341 HE1 MET 45 HE1 MET 45 70.280 -1.106 3.550 342 HE2 MET 45 HE2 MET 45 70.224 0.584 4.065 343 HE3 MET 45 HE3 MET 45 70.338 -0.700 5.270 344 H ARG 46 HN ARG 46 73.211 3.887 7.842 345 HA ARG 46 HA ARG 46 72.411 3.113 10.480 346 HB2 ARG 46 HB2 ARG 46 74.392 4.665 9.177 347 HB3 ARG 46 HB1 ARG 46 73.663 5.713 10.395 348 HG2 ARG 46 HG2 ARG 46 74.166 2.961 11.326 349 HG3 ARG 46 HG1 ARG 46 75.628 3.858 10.912 350 HD2 ARG 46 HD2 ARG 46 75.380 4.586 13.104 351 HD3 ARG 46 HD1 ARG 46 74.338 5.781 12.309 352 HE ARG 46 HE ARG 46 72.406 4.554 13.045 353 HH11 ARG 46 HH21 ARG 46 73.943 4.292 15.584 354 HH12 ARG 46 HH22 ARG 46 73.857 2.590 15.893 355 HH21 ARG 46 HH11 ARG 46 72.884 1.792 12.665 356 HH22 ARG 46 HH12 ARG 46 73.297 1.171 14.225 357 H MET 47 HN MET 47 71.455 5.857 8.440 358 HA MET 47 HA MET 47 70.030 7.360 10.440 359 HB2 MET 47 HB2 MET 47 70.850 8.139 8.179 360 HB3 MET 47 HB1 MET 47 69.551 7.198 7.446 361 HG2 MET 47 HG2 MET 47 67.865 8.521 8.511 362 HG3 MET 47 HG1 MET 47 69.048 9.295 9.567 363 HE1 MET 47 HE1 MET 47 67.049 9.308 6.555 364 HE2 MET 47 HE2 MET 47 68.414 8.639 5.658 365 HE3 MET 47 HE3 MET 47 67.861 10.278 5.319 366 H LEU 48 HN LEU 48 69.035 4.774 8.191 367 HA LEU 48 HA LEU 48 66.207 4.920 8.927 368 HB2 LEU 48 HB2 LEU 48 68.006 3.301 7.186 369 HB3 LEU 48 HB1 LEU 48 66.499 2.536 7.686 370 HG LEU 48 HG LEU 48 65.650 5.063 7.006 371 HD11 LEU 48 HD11 LEU 48 66.759 5.047 4.554 372 HD12 LEU 48 HD12 LEU 48 68.116 4.394 5.473 373 HD13 LEU 48 HD13 LEU 48 67.441 5.969 5.894 374 HD21 LEU 48 HD21 LEU 48 65.864 2.726 5.085 375 HD22 LEU 48 HD22 LEU 48 64.632 3.990 5.095 376 HD23 LEU 48 HD23 LEU 48 64.693 2.806 6.402 377 H GLY 49 HN GLY 49 68.974 2.847 9.782 378 HA2 GLY 49 HA2 GLY 49 68.692 2.246 12.342 379 HA3 GLY 49 HA1 GLY 49 67.284 1.375 11.741 380 H GLN 50 HN GLN 50 70.482 1.681 10.186 381 HA GLN 50 HA GLN 50 70.780 -1.300 10.447 382 HB2 GLN 50 HB2 GLN 50 71.811 0.379 8.155 383 HB3 GLN 50 HB1 GLN 50 71.510 -1.352 8.181 384 HG2 GLN 50 HG2 GLN 50 69.251 0.623 8.532 385 HG3 GLN 50 HG1 GLN 50 69.817 0.156 6.926 386 HE21 GLN 50 HE21 GLN 50 69.827 -2.290 6.491 387 HE22 GLN 50 HE22 GLN 50 68.630 -3.231 7.241 388 H ASN 51 HN ASN 51 73.128 -1.986 10.214 389 HA ASN 51 HA ASN 51 75.113 0.113 10.947 390 HB2 ASN 51 HB2 ASN 51 73.898 -1.227 12.914 391 HB3 ASN 51 HB1 ASN 51 75.079 -2.466 12.486 392 HD21 ASN 51 HD21 ASN 51 77.396 -1.909 12.740 393 HD22 ASN 51 HD22 ASN 51 77.863 -0.610 13.728 394 HA PRO 52 HA PRO 52 76.573 -3.461 8.181 395 HB2 PRO 52 HB2 PRO 52 76.508 -2.243 5.739 396 HB3 PRO 52 HB1 PRO 52 75.123 -3.139 6.400 397 HG2 PRO 52 HG2 PRO 52 75.595 -0.207 6.289 398 HG3 PRO 52 HG1 PRO 52 74.097 -1.118 6.067 399 HD2 PRO 52 HD2 PRO 52 74.768 0.213 8.364 400 HD3 PRO 52 HD1 PRO 52 73.657 -1.174 8.297 401 H THR 53 HN THR 53 78.738 -3.551 7.399 402 HA THR 53 HA THR 53 80.442 -1.226 8.048 403 HB THR 53 HB THR 53 82.230 -2.959 7.559 404 HG1 THR 53 HG1 THR 53 81.657 -4.866 6.822 405 HG21 THR 53 HG21 THR 53 80.749 -2.632 9.773 406 HG22 THR 53 HG22 THR 53 81.985 -3.886 9.650 407 HG23 THR 53 HG23 THR 53 80.290 -4.289 9.382 408 HA PRO 54 HA PRO 54 80.997 0.184 3.921 409 HB2 PRO 54 HB2 PRO 54 83.705 0.622 3.756 410 HB3 PRO 54 HB1 PRO 54 82.591 1.671 4.660 411 HG2 PRO 54 HG2 PRO 54 84.392 -0.485 5.661 412 HG3 PRO 54 HG1 PRO 54 84.030 1.101 6.364 413 HD2 PRO 54 HD2 PRO 54 82.905 -1.199 7.268 414 HD3 PRO 54 HD1 PRO 54 82.070 0.369 7.335 415 H GLU 55 HN GLU 55 83.482 -2.299 4.751 416 HA GLU 55 HA GLU 55 84.048 -3.093 2.055 417 HB2 GLU 55 HB2 GLU 55 84.962 -5.123 3.156 418 HB3 GLU 55 HB1 GLU 55 85.431 -3.660 4.022 419 HG2 GLU 55 HG2 GLU 55 82.905 -4.572 5.047 420 HG3 GLU 55 HG1 GLU 55 84.039 -5.921 5.052 421 H GLU 56 HN GLU 56 81.361 -3.889 4.188 422 HA GLU 56 HA GLU 56 80.424 -6.074 2.401 423 HB2 GLU 56 HB2 GLU 56 79.872 -5.009 5.132 424 HB3 GLU 56 HB1 GLU 56 78.535 -5.808 4.309 425 HG2 GLU 56 HG2 GLU 56 81.220 -7.148 4.314 426 HG3 GLU 56 HG1 GLU 56 80.239 -7.207 5.776 427 H LEU 57 HN LEU 57 79.479 -2.801 3.476 428 HA LEU 57 HA LEU 57 76.944 -2.581 2.220 429 HB2 LEU 57 HB2 LEU 57 78.220 -1.050 3.847 430 HB3 LEU 57 HB1 LEU 57 79.019 -0.392 2.417 431 HG LEU 57 HG LEU 57 76.534 -0.198 1.522 432 HD11 LEU 57 HD11 LEU 57 76.149 0.070 4.512 433 HD12 LEU 57 HD12 LEU 57 75.680 -1.369 3.601 434 HD13 LEU 57 HD13 LEU 57 74.912 0.184 3.260 435 HD21 LEU 57 HD21 LEU 57 78.178 1.561 3.283 436 HD22 LEU 57 HD22 LEU 57 76.514 2.062 2.985 437 HD23 LEU 57 HD23 LEU 57 77.622 1.832 1.631 438 H GLN 58 HN GLN 58 80.210 -1.904 0.900 439 HA GLN 58 HA GLN 58 79.436 -0.886 -1.639 440 HB2 GLN 58 HB2 GLN 58 81.706 -0.879 -0.626 441 HB3 GLN 58 HB1 GLN 58 81.791 -2.629 -0.834 442 HG2 GLN 58 HG2 GLN 58 82.911 -1.879 -2.736 443 HG3 GLN 58 HG1 GLN 58 81.272 -2.076 -3.350 444 HE21 GLN 58 HE21 GLN 58 81.521 -0.386 -4.962 445 HE22 GLN 58 HE22 GLN 58 81.624 1.250 -4.530 446 H GLU 59 HN GLU 59 80.041 -4.254 -0.576 447 HA GLU 59 HA GLU 59 79.575 -5.588 -3.048 448 HB2 GLU 59 HB2 GLU 59 80.525 -6.691 -1.096 449 HB3 GLU 59 HB1 GLU 59 79.074 -6.365 -0.149 450 HG2 GLU 59 HG2 GLU 59 78.275 -7.727 -2.538 451 HG3 GLU 59 HG1 GLU 59 79.616 -8.623 -1.820 452 H MET 60 HN MET 60 77.291 -4.689 -0.433 453 HA MET 60 HA MET 60 74.926 -5.803 -1.503 454 HB2 MET 60 HB2 MET 60 75.736 -4.021 0.564 455 HB3 MET 60 HB1 MET 60 74.395 -3.255 -0.290 456 HG2 MET 60 HG2 MET 60 72.904 -4.960 0.226 457 HG3 MET 60 HG1 MET 60 74.180 -6.165 0.403 458 HE1 MET 60 HE1 MET 60 76.188 -4.283 2.919 459 HE2 MET 60 HE2 MET 60 76.104 -5.566 1.708 460 HE3 MET 60 HE3 MET 60 75.795 -5.946 3.406 461 H ILE 61 HN ILE 61 76.070 -2.416 -1.855 462 HA ILE 61 HA ILE 61 74.087 -1.643 -3.792 463 HB ILE 61 HB ILE 61 76.849 -0.576 -3.111 464 HG12 ILE 61 HG12 ILE 61 74.069 0.274 -2.212 465 HG13 ILE 61 HG11 ILE 61 75.234 -0.610 -1.230 466 HG21 ILE 61 HG21 ILE 61 75.088 0.129 -5.250 467 HG22 ILE 61 HG22 ILE 61 76.601 0.903 -4.782 468 HG23 ILE 61 HG23 ILE 61 75.078 1.447 -4.078 469 HD11 ILE 61 HD11 ILE 61 75.166 1.921 -0.852 470 HD12 ILE 61 HD12 ILE 61 75.876 2.081 -2.460 471 HD13 ILE 61 HD13 ILE 61 76.753 1.232 -1.188 472 H ASP 62 HN ASP 62 77.490 -2.693 -4.167 473 HA ASP 62 HA ASP 62 77.681 -2.442 -6.996 474 HB2 ASP 62 HB2 ASP 62 79.007 -4.139 -4.882 475 HB3 ASP 62 HB1 ASP 62 79.454 -4.314 -6.573 476 H GLU 63 HN GLU 63 76.420 -5.120 -5.002 477 HA GLU 63 HA GLU 63 76.094 -6.919 -7.290 478 HB2 GLU 63 HB2 GLU 63 75.280 -6.919 -4.379 479 HB3 GLU 63 HB1 GLU 63 74.734 -8.185 -5.479 480 HG2 GLU 63 HG2 GLU 63 77.340 -8.222 -6.109 481 HG3 GLU 63 HG1 GLU 63 77.482 -7.622 -4.458 482 H VAL 64 HN VAL 64 73.872 -4.915 -5.305 483 HA VAL 64 HA VAL 64 71.496 -5.710 -6.769 484 HB VAL 64 HB VAL 64 72.103 -3.305 -5.017 485 HG11 VAL 64 HG11 VAL 64 70.068 -3.134 -6.515 486 HG12 VAL 64 HG12 VAL 64 69.713 -3.066 -4.790 487 HG13 VAL 64 HG13 VAL 64 69.426 -4.555 -5.692 488 HG21 VAL 64 HG21 VAL 64 72.103 -4.805 -3.328 489 HG22 VAL 64 HG22 VAL 64 71.781 -6.120 -4.458 490 HG23 VAL 64 HG23 VAL 64 70.442 -5.224 -3.742 491 H ASP 65 HN ASP 65 73.951 -3.225 -7.288 492 HA ASP 65 HA ASP 65 72.414 -1.574 -9.112 493 HB2 ASP 65 HB2 ASP 65 74.592 -1.118 -7.747 494 HB3 ASP 65 HB1 ASP 65 75.416 -1.901 -9.092 495 H GLU 66 HN GLU 66 71.531 -2.723 -10.852 496 HA GLU 66 HA GLU 66 73.070 -4.774 -12.291 497 HB2 GLU 66 HB2 GLU 66 70.371 -3.435 -12.613 498 HB3 GLU 66 HB1 GLU 66 70.963 -4.639 -13.759 499 HG2 GLU 66 HG2 GLU 66 71.311 -5.528 -11.004 500 HG3 GLU 66 HG1 GLU 66 69.623 -5.165 -11.358 501 H ASP 67 HN ASP 67 71.980 -1.429 -12.935 502 HA ASP 67 HA ASP 67 73.007 -1.283 -15.625 503 HB2 ASP 67 HB2 ASP 67 72.726 1.190 -15.214 504 HB3 ASP 67 HB1 ASP 67 71.304 0.241 -14.794 505 H GLY 68 HN GLY 68 74.570 -1.038 -12.504 506 HA2 GLY 68 HA2 GLY 68 76.873 -0.965 -12.023 507 HA3 GLY 68 HA1 GLY 68 77.191 -0.934 -13.754 508 H SER 69 HN SER 69 75.595 1.311 -11.421 509 HA SER 69 HA SER 69 77.116 3.556 -12.708 510 HB2 SER 69 HB2 SER 69 75.316 4.968 -11.898 511 HB3 SER 69 HB1 SER 69 74.608 3.580 -12.713 512 HG SER 69 HG SER 69 74.395 4.377 -10.127 513 H GLY 70 HN GLY 70 76.939 1.717 -9.789 514 HA2 GLY 70 HA2 GLY 70 78.384 1.900 -7.912 515 HA3 GLY 70 HA1 GLY 70 78.935 3.461 -8.518 516 H THR 71 HN THR 71 75.659 3.685 -8.689 517 HA THR 71 HA THR 71 75.393 4.701 -5.879 518 HB THR 71 HB THR 71 73.923 6.464 -6.947 519 HG1 THR 71 HG1 THR 71 73.607 6.415 -9.025 520 HG21 THR 71 HG21 THR 71 76.050 7.422 -8.318 521 HG22 THR 71 HG22 THR 71 76.847 6.155 -7.387 522 HG23 THR 71 HG23 THR 71 75.959 7.436 -6.559 523 H VAL 72 HN VAL 72 73.253 4.465 -4.971 524 HA VAL 72 HA VAL 72 71.604 2.359 -6.316 525 HB VAL 72 HB VAL 72 72.389 3.069 -3.525 526 HG11 VAL 72 HG11 VAL 72 70.402 1.685 -2.699 527 HG12 VAL 72 HG12 VAL 72 69.674 1.970 -4.278 528 HG13 VAL 72 HG13 VAL 72 70.036 3.332 -3.216 529 HG21 VAL 72 HG21 VAL 72 73.191 0.963 -3.640 530 HG22 VAL 72 HG22 VAL 72 72.687 0.918 -5.329 531 HG23 VAL 72 HG23 VAL 72 71.606 0.328 -4.066 532 H ASP 73 HN ASP 73 69.536 2.856 -6.945 533 HA ASP 73 HA ASP 73 68.488 5.579 -6.311 534 HB2 ASP 73 HB2 ASP 73 67.221 5.309 -8.329 535 HB3 ASP 73 HB1 ASP 73 68.807 4.626 -8.681 536 H PHE 74 HN PHE 74 65.715 4.917 -6.773 537 HA PHE 74 HA PHE 74 64.912 4.072 -4.138 538 HB2 PHE 74 HB2 PHE 74 63.761 5.577 -5.899 539 HB3 PHE 74 HB1 PHE 74 63.191 4.075 -6.626 540 HD1 PHE 74 HD1 PHE 74 63.059 6.230 -3.626 541 HD2 PHE 74 HD2 PHE 74 61.521 2.696 -5.521 542 HE1 PHE 74 HE1 PHE 74 61.241 6.117 -1.940 543 HE2 PHE 74 HE2 PHE 74 59.706 2.585 -3.839 544 HZ PHE 74 HZ PHE 74 59.564 4.291 -2.050 545 H ASP 75 HN ASP 75 64.794 2.388 -7.309 546 HA ASP 75 HA ASP 75 63.599 -0.044 -6.371 547 HB2 ASP 75 HB2 ASP 75 63.883 0.815 -8.748 548 HB3 ASP 75 HB1 ASP 75 65.572 0.319 -8.649 549 H GLU 76 HN GLU 76 67.050 0.690 -7.058 550 HA GLU 76 HA GLU 76 68.171 -1.750 -6.162 551 HB2 GLU 76 HB2 GLU 76 68.995 0.977 -6.804 552 HB3 GLU 76 HB1 GLU 76 70.013 0.261 -5.552 553 HG2 GLU 76 HG2 GLU 76 70.709 -1.489 -6.933 554 HG3 GLU 76 HG1 GLU 76 69.309 -1.338 -7.998 555 H PHE 77 HN PHE 77 67.551 1.238 -4.276 556 HA PHE 77 HA PHE 77 68.682 0.308 -1.807 557 HB2 PHE 77 HB2 PHE 77 68.175 2.656 -2.388 558 HB3 PHE 77 HB1 PHE 77 66.451 2.292 -2.375 559 HD1 PHE 77 HD2 PHE 77 69.275 1.361 -0.047 560 HD2 PHE 77 HD1 PHE 77 65.459 3.282 -0.522 561 HE1 PHE 77 HE2 PHE 77 69.191 1.806 2.392 562 HE2 PHE 77 HE1 PHE 77 65.380 3.725 1.915 563 HZ PHE 77 HZ PHE 77 67.241 2.992 3.369 564 H LEU 78 HN LEU 78 65.378 0.056 -3.138 565 HA LEU 78 HA LEU 78 64.030 -0.962 -0.858 566 HB2 LEU 78 HB2 LEU 78 63.663 -0.747 -3.727 567 HB3 LEU 78 HB1 LEU 78 63.067 -2.303 -3.168 568 HG LEU 78 HG LEU 78 61.279 -0.617 -3.077 569 HD11 LEU 78 HD11 LEU 78 62.217 -2.183 -0.852 570 HD12 LEU 78 HD12 LEU 78 60.558 -1.781 -1.296 571 HD13 LEU 78 HD13 LEU 78 61.474 -0.703 -0.245 572 HD21 LEU 78 HD21 LEU 78 62.581 1.410 -2.805 573 HD22 LEU 78 HD22 LEU 78 63.223 0.848 -1.261 574 HD23 LEU 78 HD23 LEU 78 61.516 1.262 -1.408 575 H VAL 79 HN VAL 79 65.798 -2.749 -3.421 576 HA VAL 79 HA VAL 79 65.454 -5.345 -2.108 577 HB VAL 79 HB VAL 79 67.360 -4.449 -4.303 578 HG11 VAL 79 HG11 VAL 79 68.111 -6.570 -3.741 579 HG12 VAL 79 HG12 VAL 79 66.844 -6.991 -4.895 580 HG13 VAL 79 HG13 VAL 79 66.529 -7.091 -3.162 581 HG21 VAL 79 HG21 VAL 79 65.455 -5.643 -5.691 582 HG22 VAL 79 HG22 VAL 79 65.262 -3.956 -5.220 583 HG23 VAL 79 HG23 VAL 79 64.451 -5.226 -4.302 584 H MET 80 HN MET 80 67.933 -2.829 -2.167 585 HA MET 80 HA MET 80 70.059 -4.336 -0.933 586 HB2 MET 80 HB2 MET 80 70.331 -2.249 -2.238 587 HB3 MET 80 HB1 MET 80 69.429 -1.364 -1.008 588 HG2 MET 80 HG2 MET 80 71.170 -2.176 0.665 589 HG3 MET 80 HG1 MET 80 72.122 -2.700 -0.724 590 HE1 MET 80 HE1 MET 80 72.844 0.289 1.548 591 HE2 MET 80 HE2 MET 80 74.136 0.037 0.376 592 HE3 MET 80 HE3 MET 80 73.321 -1.351 1.093 593 H MET 81 HN MET 81 67.366 -2.393 0.344 594 HA MET 81 HA MET 81 68.236 -2.239 3.078 595 HB2 MET 81 HB2 MET 81 65.860 -1.713 1.446 596 HB3 MET 81 HB1 MET 81 65.434 -2.302 3.054 597 HG2 MET 81 HG2 MET 81 67.559 -0.203 2.846 598 HG3 MET 81 HG1 MET 81 65.879 0.288 2.621 599 HE1 MET 81 HE1 MET 81 67.298 1.176 6.234 600 HE2 MET 81 HE2 MET 81 67.648 1.440 4.526 601 HE3 MET 81 HE3 MET 81 68.505 0.180 5.412 602 H VAL 82 HN VAL 82 65.805 -4.493 1.615 603 HA VAL 82 HA VAL 82 65.505 -6.140 3.928 604 HB VAL 82 HB VAL 82 64.715 -7.852 2.233 605 HG11 VAL 82 HG11 VAL 82 62.842 -6.413 1.392 606 HG12 VAL 82 HG12 VAL 82 63.720 -4.997 1.965 607 HG13 VAL 82 HG13 VAL 82 63.155 -6.207 3.116 608 HG21 VAL 82 HG21 VAL 82 65.199 -5.719 0.146 609 HG22 VAL 82 HG22 VAL 82 64.807 -7.422 -0.089 610 HG23 VAL 82 HG23 VAL 82 66.410 -6.961 0.472 611 H ARG 83 HN ARG 83 67.976 -6.186 1.368 612 HA ARG 83 HA ARG 83 69.156 -8.723 2.060 613 HB2 ARG 83 HB2 ARG 83 69.482 -6.654 0.163 614 HB3 ARG 83 HB1 ARG 83 71.028 -6.760 1.010 615 HG2 ARG 83 HG2 ARG 83 71.054 -9.214 0.600 616 HG3 ARG 83 HG1 ARG 83 69.549 -9.058 -0.303 617 HD2 ARG 83 HD2 ARG 83 70.627 -8.291 -2.158 618 HD3 ARG 83 HD1 ARG 83 71.632 -7.177 -1.210 619 HE ARG 83 HE ARG 83 72.216 -10.099 -1.539 620 HH11 ARG 83 HH21 ARG 83 73.428 -8.887 0.887 621 HH12 ARG 83 HH22 ARG 83 74.967 -8.346 0.303 622 HH21 ARG 83 HH11 ARG 83 74.051 -8.528 -3.032 623 HH22 ARG 83 HH12 ARG 83 75.320 -8.145 -1.919 624 H SER 84 HN SER 84 69.776 -5.378 3.125 625 HA SER 84 HA SER 84 71.999 -6.161 4.868 626 HB2 SER 84 HB2 SER 84 72.085 -3.793 5.333 627 HB3 SER 84 HB1 SER 84 71.706 -3.967 3.622 628 HG SER 84 HG SER 84 69.660 -3.372 3.998 629 H MET 85 HN MET 85 68.514 -5.754 5.209 630 HA MET 85 HA MET 85 68.381 -5.371 8.051 631 HB2 MET 85 HB2 MET 85 66.649 -5.832 5.797 632 HB3 MET 85 HB1 MET 85 66.145 -6.872 7.126 633 HG2 MET 85 HG2 MET 85 65.115 -5.074 8.016 634 HG3 MET 85 HG1 MET 85 66.718 -4.413 8.339 635 HE1 MET 85 HE1 MET 85 63.601 -4.511 6.488 636 HE2 MET 85 HE2 MET 85 64.444 -4.929 4.999 637 HE3 MET 85 HE3 MET 85 63.684 -3.348 5.158 638 H LYS 86 HN LYS 86 67.982 -8.386 6.135 639 HA LYS 86 HA LYS 86 68.415 -10.631 6.667 640 HB2 LYS 86 HB2 LYS 86 70.356 -8.963 8.045 641 HB3 LYS 86 HB1 LYS 86 70.042 -10.438 8.957 642 HG2 LYS 86 HG2 LYS 86 70.604 -10.470 5.984 643 HG3 LYS 86 HG1 LYS 86 71.887 -10.584 7.194 644 HD2 LYS 86 HD2 LYS 86 70.447 -12.488 8.223 645 HD3 LYS 86 HD1 LYS 86 69.635 -12.516 6.660 646 HE2 LYS 86 HE2 LYS 86 71.315 -13.819 5.883 647 HE3 LYS 86 HE1 LYS 86 72.431 -12.458 6.124 648 HZ1 LYS 86 HZ1 LYS 86 73.051 -14.430 7.458 649 HZ2 LYS 86 HZ2 LYS 86 71.560 -14.326 8.271 650 HZ3 LYS 86 HZ3 LYS 86 72.700 -13.080 8.421 651 H ASP 87 HN ASP 87 68.394 -9.141 9.948 652 HA ASP 87 HA ASP 87 67.027 -11.197 11.286 653 HB2 ASP 87 HB2 ASP 87 68.060 -9.460 12.526 654 HB3 ASP 87 HB1 ASP 87 67.203 -8.200 11.637 655 H ASP 88 HN ASP 88 65.503 -8.214 9.946 656 HA ASP 88 HA ASP 88 62.889 -9.681 9.960 657 HB2 ASP 88 HB2 ASP 88 63.684 -7.251 11.064 658 HB3 ASP 88 HB1 ASP 88 62.829 -6.773 9.597 659 H SER 89 HN SER 89 62.679 -10.563 7.918 660 HA SER 89 HA SER 89 62.356 -8.784 5.624 661 HB2 SER 89 HB2 SER 89 64.911 -10.101 6.224 662 HB3 SER 89 HB1 SER 89 64.313 -10.485 4.613 663 HG SER 89 HG SER 89 64.717 -7.909 5.749 Start of MODEL 11 1 H1 MET 1 HT1 MET 1 63.297 -18.623 -7.642 2 H2 MET 1 HT2 MET 1 61.924 -18.573 -6.654 3 H3 MET 1 HT3 MET 1 62.416 -20.044 -7.341 4 HA MET 1 HA MET 1 63.263 -20.326 -5.247 5 HB2 MET 1 HB2 MET 1 64.983 -20.279 -7.136 6 HB3 MET 1 HB1 MET 1 65.421 -18.663 -6.579 7 HG2 MET 1 HG2 MET 1 65.559 -19.905 -4.221 8 HG3 MET 1 HG1 MET 1 65.851 -21.308 -5.250 9 HE1 MET 1 HE1 MET 1 67.729 -17.299 -5.490 10 HE2 MET 1 HE2 MET 1 68.076 -17.932 -3.882 11 HE3 MET 1 HE3 MET 1 66.411 -17.868 -4.454 12 H ASP 2 HN ASP 2 62.901 -19.417 -3.280 13 HA ASP 2 HA ASP 2 62.627 -17.831 -1.567 14 HB2 ASP 2 HB2 ASP 2 65.147 -17.876 -2.254 15 HB3 ASP 2 HB1 ASP 2 64.821 -16.277 -2.925 16 H ASP 3 HN ASP 3 60.506 -17.182 -2.574 17 HA ASP 3 HA ASP 3 60.479 -14.685 -4.160 18 HB2 ASP 3 HB2 ASP 3 58.812 -16.957 -3.742 19 HB3 ASP 3 HB1 ASP 3 57.900 -15.548 -3.207 20 H ILE 4 HN ILE 4 60.691 -15.378 -0.846 21 HA ILE 4 HA ILE 4 58.851 -13.624 0.400 22 HB ILE 4 HB ILE 4 60.527 -13.605 2.252 23 HG12 ILE 4 HG12 ILE 4 62.491 -15.372 1.356 24 HG13 ILE 4 HG11 ILE 4 62.320 -14.225 0.030 25 HG21 ILE 4 HG21 ILE 4 60.609 -16.039 2.582 26 HG22 ILE 4 HG22 ILE 4 60.229 -16.292 0.878 27 HG23 ILE 4 HG23 ILE 4 59.039 -15.551 1.946 28 HD11 ILE 4 HD11 ILE 4 63.965 -13.658 1.981 29 HD12 ILE 4 HD12 ILE 4 62.497 -13.236 2.864 30 HD13 ILE 4 HD13 ILE 4 62.901 -12.391 1.369 31 H TYR 5 HN TYR 5 61.905 -12.854 -1.244 32 HA TYR 5 HA TYR 5 62.227 -10.167 -0.253 33 HB2 TYR 5 HB2 TYR 5 63.180 -11.824 -2.564 34 HB3 TYR 5 HB1 TYR 5 63.449 -10.086 -2.631 35 HD1 TYR 5 HD2 TYR 5 63.899 -9.484 0.282 36 HD2 TYR 5 HD1 TYR 5 65.319 -12.698 -2.191 37 HE1 TYR 5 HE2 TYR 5 65.882 -9.745 1.753 38 HE2 TYR 5 HE1 TYR 5 67.300 -12.953 -0.724 39 HH TYR 5 HH TYR 5 67.561 -12.016 2.194 40 H LYS 6 HN LYS 6 60.754 -11.405 -3.288 41 HA LYS 6 HA LYS 6 59.841 -8.804 -4.197 42 HB2 LYS 6 HB2 LYS 6 60.292 -10.981 -5.497 43 HB3 LYS 6 HB1 LYS 6 58.722 -11.529 -4.915 44 HG2 LYS 6 HG2 LYS 6 58.811 -8.810 -6.134 45 HG3 LYS 6 HG1 LYS 6 59.025 -10.170 -7.235 46 HD2 LYS 6 HD2 LYS 6 56.726 -9.930 -5.269 47 HD3 LYS 6 HD1 LYS 6 56.632 -9.445 -6.959 48 HE2 LYS 6 HE2 LYS 6 56.128 -11.579 -7.507 49 HE3 LYS 6 HE1 LYS 6 57.722 -12.084 -6.910 50 HZ1 LYS 6 HZ1 LYS 6 55.239 -11.745 -5.306 51 HZ2 LYS 6 HZ2 LYS 6 56.772 -12.014 -4.628 52 HZ3 LYS 6 HZ3 LYS 6 56.063 -13.199 -5.615 53 H ALA 7 HN ALA 7 58.346 -11.483 -2.385 54 HA ALA 7 HA ALA 7 55.650 -10.551 -2.316 55 HB1 ALA 7 HB1 ALA 7 57.109 -12.013 -0.100 56 HB2 ALA 7 HB2 ALA 7 56.694 -12.801 -1.623 57 HB3 ALA 7 HB3 ALA 7 55.419 -12.179 -0.575 58 H ALA 8 HN ALA 8 58.466 -9.691 -0.328 59 HA ALA 8 HA ALA 8 57.245 -8.370 1.848 60 HB1 ALA 8 HB1 ALA 8 59.405 -7.264 2.040 61 HB2 ALA 8 HB2 ALA 8 59.744 -7.545 0.333 62 HB3 ALA 8 HB3 ALA 8 59.677 -8.904 1.455 63 H VAL 9 HN VAL 9 58.264 -6.924 -1.272 64 HA VAL 9 HA VAL 9 57.279 -4.285 -0.794 65 HB VAL 9 HB VAL 9 57.653 -5.947 -3.309 66 HG11 VAL 9 HG11 VAL 9 57.867 -3.628 -4.387 67 HG12 VAL 9 HG12 VAL 9 57.090 -2.996 -2.934 68 HG13 VAL 9 HG13 VAL 9 56.238 -4.146 -3.964 69 HG21 VAL 9 HG21 VAL 9 59.414 -4.334 -1.543 70 HG22 VAL 9 HG22 VAL 9 59.653 -4.108 -3.273 71 HG23 VAL 9 HG23 VAL 9 59.808 -5.716 -2.570 72 H GLU 10 HN GLU 10 55.668 -7.186 -2.057 73 HA GLU 10 HA GLU 10 53.201 -5.883 -2.840 74 HB2 GLU 10 HB2 GLU 10 53.909 -8.736 -2.096 75 HB3 GLU 10 HB1 GLU 10 52.425 -8.251 -2.919 76 HG2 GLU 10 HG2 GLU 10 53.972 -7.154 -4.668 77 HG3 GLU 10 HG1 GLU 10 55.266 -8.105 -3.941 78 H GLN 11 HN GLN 11 54.430 -7.182 0.196 79 HA GLN 11 HA GLN 11 51.751 -6.982 1.484 80 HB2 GLN 11 HB2 GLN 11 54.290 -8.442 1.858 81 HB3 GLN 11 HB1 GLN 11 53.550 -7.888 3.361 82 HG2 GLN 11 HG2 GLN 11 52.534 -9.974 3.041 83 HG3 GLN 11 HG1 GLN 11 51.348 -8.869 2.352 84 HE21 GLN 11 HE21 GLN 11 50.976 -8.975 0.054 85 HE22 GLN 11 HE22 GLN 11 51.726 -10.128 -0.941 86 H LEU 12 HN LEU 12 54.410 -4.962 0.980 87 HA LEU 12 HA LEU 12 54.682 -3.728 3.585 88 HB2 LEU 12 HB2 LEU 12 55.473 -3.200 0.745 89 HB3 LEU 12 HB1 LEU 12 55.561 -1.850 1.879 90 HG LEU 12 HG LEU 12 56.873 -4.561 2.272 91 HD11 LEU 12 HD11 LEU 12 58.055 -3.374 0.560 92 HD12 LEU 12 HD12 LEU 12 58.969 -3.137 2.051 93 HD13 LEU 12 HD13 LEU 12 57.928 -1.849 1.441 94 HD21 LEU 12 HD21 LEU 12 56.474 -3.756 4.438 95 HD22 LEU 12 HD22 LEU 12 56.642 -2.071 3.950 96 HD23 LEU 12 HD23 LEU 12 58.070 -3.093 4.089 97 H THR 13 HN THR 13 53.461 -2.100 4.483 98 HA THR 13 HA THR 13 50.929 -1.352 3.202 99 HB THR 13 HB THR 13 50.657 -0.137 5.399 100 HG1 THR 13 HG1 THR 13 52.305 -0.317 6.891 101 HG21 THR 13 HG21 THR 13 51.638 -2.712 6.367 102 HG22 THR 13 HG22 THR 13 50.673 -2.875 4.899 103 HG23 THR 13 HG23 THR 13 49.989 -2.089 6.322 104 H GLU 14 HN GLU 14 50.337 1.115 3.435 105 HA GLU 14 HA GLU 14 51.981 2.664 1.662 106 HB2 GLU 14 HB2 GLU 14 49.498 2.848 2.130 107 HB3 GLU 14 HB1 GLU 14 49.908 3.607 3.670 108 HG2 GLU 14 HG2 GLU 14 51.388 4.866 1.527 109 HG3 GLU 14 HG1 GLU 14 49.664 4.875 1.154 110 H GLU 15 HN GLU 15 51.575 2.753 5.225 111 HA GLU 15 HA GLU 15 53.189 4.976 5.859 112 HB2 GLU 15 HB2 GLU 15 52.389 2.404 7.161 113 HB3 GLU 15 HB1 GLU 15 53.656 3.352 7.939 114 HG2 GLU 15 HG2 GLU 15 51.852 4.381 8.909 115 HG3 GLU 15 HG1 GLU 15 51.915 5.337 7.429 116 H GLN 16 HN GLN 16 54.187 1.604 5.218 117 HA GLN 16 HA GLN 16 56.998 2.012 5.800 118 HB2 GLN 16 HB2 GLN 16 55.505 -0.015 4.093 119 HB3 GLN 16 HB1 GLN 16 57.189 -0.170 4.589 120 HG2 GLN 16 HG2 GLN 16 54.954 0.194 6.595 121 HG3 GLN 16 HG1 GLN 16 55.466 -1.399 6.038 122 HE21 GLN 16 HE21 GLN 16 58.086 -1.571 6.105 123 HE22 GLN 16 HE22 GLN 16 58.781 -1.018 7.551 124 H LYS 17 HN LYS 17 55.121 1.905 2.752 125 HA LYS 17 HA LYS 17 57.298 2.442 0.973 126 HB2 LYS 17 HB2 LYS 17 54.578 1.903 0.838 127 HB3 LYS 17 HB1 LYS 17 54.676 3.554 0.223 128 HG2 LYS 17 HG2 LYS 17 56.417 1.270 -0.765 129 HG3 LYS 17 HG1 LYS 17 54.935 1.798 -1.564 130 HD2 LYS 17 HD2 LYS 17 57.230 3.683 -0.979 131 HD3 LYS 17 HD1 LYS 17 57.093 2.790 -2.494 132 HE2 LYS 17 HE2 LYS 17 54.696 3.785 -2.641 133 HE3 LYS 17 HE1 LYS 17 55.251 4.930 -1.407 134 HZ1 LYS 17 HZ1 LYS 17 56.689 4.377 -3.954 135 HZ2 LYS 17 HZ2 LYS 17 57.104 5.540 -2.787 136 HZ3 LYS 17 HZ3 LYS 17 55.680 5.718 -3.697 137 H ASN 18 HN ASN 18 55.154 4.629 2.797 138 HA ASN 18 HA ASN 18 56.065 7.063 1.533 139 HB2 ASN 18 HB2 ASN 18 54.263 7.761 2.703 140 HB3 ASN 18 HB1 ASN 18 54.165 6.187 3.480 141 HD21 ASN 18 HD21 ASN 18 55.702 9.409 3.797 142 HD22 ASN 18 HD22 ASN 18 55.909 9.312 5.478 143 H GLU 19 HN GLU 19 57.079 5.376 4.558 144 HA GLU 19 HA GLU 19 59.000 7.398 5.312 145 HB2 GLU 19 HB2 GLU 19 59.703 5.758 6.954 146 HB3 GLU 19 HB1 GLU 19 57.954 5.638 6.788 147 HG2 GLU 19 HG2 GLU 19 58.047 3.562 5.824 148 HG3 GLU 19 HG1 GLU 19 59.565 3.892 4.997 149 H PHE 20 HN PHE 20 59.160 4.646 3.101 150 HA PHE 20 HA PHE 20 62.037 4.477 2.880 151 HB2 PHE 20 HB2 PHE 20 59.672 3.736 1.139 152 HB3 PHE 20 HB1 PHE 20 61.325 3.452 0.599 153 HD1 PHE 20 HD2 PHE 20 62.564 2.821 3.295 154 HD2 PHE 20 HD1 PHE 20 58.924 1.487 1.445 155 HE1 PHE 20 HE2 PHE 20 62.640 0.745 4.641 156 HE2 PHE 20 HE1 PHE 20 59.002 -0.590 2.788 157 HZ PHE 20 HZ PHE 20 60.865 -0.960 4.390 158 H LYS 21 HN LYS 21 59.549 6.203 0.995 159 HA LYS 21 HA LYS 21 61.390 7.507 -0.810 160 HB2 LYS 21 HB2 LYS 21 59.145 7.335 -1.514 161 HB3 LYS 21 HB1 LYS 21 58.518 7.825 0.059 162 HG2 LYS 21 HG2 LYS 21 58.211 9.655 -1.525 163 HG3 LYS 21 HG1 LYS 21 59.426 10.121 -0.337 164 HD2 LYS 21 HD2 LYS 21 61.074 10.215 -1.880 165 HD3 LYS 21 HD1 LYS 21 60.538 8.736 -2.679 166 HE2 LYS 21 HE2 LYS 21 60.005 10.266 -4.344 167 HE3 LYS 21 HE1 LYS 21 58.503 10.361 -3.404 168 HZ1 LYS 21 HZ1 LYS 21 59.644 12.100 -2.030 169 HZ2 LYS 21 HZ2 LYS 21 59.309 12.568 -3.628 170 HZ3 LYS 21 HZ3 LYS 21 60.885 12.121 -3.185 171 H ALA 22 HN ALA 22 59.782 8.529 2.224 172 HA ALA 22 HA ALA 22 60.653 11.207 2.374 173 HB1 ALA 22 HB1 ALA 22 60.289 9.093 4.527 174 HB2 ALA 22 HB2 ALA 22 59.047 10.184 3.910 175 HB3 ALA 22 HB3 ALA 22 60.397 10.823 4.847 176 H ALA 23 HN ALA 23 62.399 8.224 3.272 177 HA ALA 23 HA ALA 23 64.707 9.507 4.441 178 HB1 ALA 23 HB1 ALA 23 64.014 7.131 4.752 179 HB2 ALA 23 HB2 ALA 23 65.678 7.249 4.174 180 HB3 ALA 23 HB3 ALA 23 64.383 6.819 3.055 181 H PHE 24 HN PHE 24 64.049 8.224 1.169 182 HA PHE 24 HA PHE 24 66.571 8.808 -0.024 183 HB2 PHE 24 HB2 PHE 24 64.304 7.545 -0.734 184 HB3 PHE 24 HB1 PHE 24 64.037 9.066 -1.584 185 HD1 PHE 24 HD2 PHE 24 66.656 6.434 -1.049 186 HD2 PHE 24 HD1 PHE 24 65.015 9.401 -3.688 187 HE1 PHE 24 HE2 PHE 24 68.198 5.690 -2.852 188 HE2 PHE 24 HE1 PHE 24 66.548 8.659 -5.485 189 HZ PHE 24 HZ PHE 24 68.143 6.800 -5.066 190 H ASP 25 HN ASP 25 63.726 10.891 0.529 191 HA ASP 25 HA ASP 25 64.479 13.070 -1.173 192 HB2 ASP 25 HB2 ASP 25 62.807 12.780 1.332 193 HB3 ASP 25 HB1 ASP 25 62.981 14.335 0.521 194 H ILE 26 HN ILE 26 65.636 12.102 2.016 195 HA ILE 26 HA ILE 26 66.723 14.534 2.993 196 HB ILE 26 HB ILE 26 67.637 11.643 3.200 197 HG12 ILE 26 HG12 ILE 26 66.315 13.285 5.353 198 HG13 ILE 26 HG11 ILE 26 65.335 12.527 4.098 199 HG21 ILE 26 HG21 ILE 26 68.776 12.557 5.335 200 HG22 ILE 26 HG22 ILE 26 68.604 14.146 4.586 201 HG23 ILE 26 HG23 ILE 26 69.560 12.897 3.790 202 HD11 ILE 26 HD11 ILE 26 66.613 10.357 4.677 203 HD12 ILE 26 HD12 ILE 26 65.401 10.918 5.828 204 HD13 ILE 26 HD13 ILE 26 67.116 11.201 6.143 205 H PHE 27 HN PHE 27 68.082 12.209 0.646 206 HA PHE 27 HA PHE 27 70.458 13.982 0.284 207 HB2 PHE 27 HB2 PHE 27 70.525 11.607 -1.356 208 HB3 PHE 27 HB1 PHE 27 71.603 12.067 -0.052 209 HD1 PHE 27 HD2 PHE 27 70.451 11.783 2.394 210 HD2 PHE 27 HD1 PHE 27 69.424 9.560 -1.136 211 HE1 PHE 27 HE2 PHE 27 69.531 9.966 3.802 212 HE2 PHE 27 HE1 PHE 27 68.507 7.748 0.277 213 HZ PHE 27 HZ PHE 27 68.560 7.953 2.745 214 H VAL 28 HN VAL 28 67.502 13.030 -1.292 215 HA VAL 28 HA VAL 28 68.269 13.793 -3.997 216 HB VAL 28 HB VAL 28 65.678 13.265 -2.521 217 HG11 VAL 28 HG11 VAL 28 64.905 13.074 -5.074 218 HG12 VAL 28 HG12 VAL 28 66.140 14.317 -5.274 219 HG13 VAL 28 HG13 VAL 28 64.787 14.588 -4.176 220 HG21 VAL 28 HG21 VAL 28 66.474 11.613 -4.828 221 HG22 VAL 28 HG22 VAL 28 65.928 11.119 -3.226 222 HG23 VAL 28 HG23 VAL 28 67.616 11.555 -3.486 223 H GLN 29 HN GLN 29 67.072 15.505 -1.167 224 HA GLN 29 HA GLN 29 65.840 17.760 -2.318 225 HB2 GLN 29 HB2 GLN 29 66.343 18.825 -0.198 226 HB3 GLN 29 HB1 GLN 29 66.031 17.120 0.114 227 HG2 GLN 29 HG2 GLN 29 68.417 16.656 0.258 228 HG3 GLN 29 HG1 GLN 29 68.804 18.306 -0.228 229 HE21 GLN 29 HE21 GLN 29 67.458 16.371 2.442 230 HE22 GLN 29 HE22 GLN 29 67.634 17.578 3.622 231 H GLY 30 HN GLY 30 69.307 17.022 -2.061 232 HA2 GLY 30 HA2 GLY 30 69.893 19.607 -3.452 233 HA3 GLY 30 HA1 GLY 30 71.053 18.753 -2.435 234 H ALA 31 HN ALA 31 68.923 17.262 -4.855 235 HA ALA 31 HA ALA 31 71.244 16.826 -6.673 236 HB1 ALA 31 HB1 ALA 31 69.483 14.630 -5.529 237 HB2 ALA 31 HB2 ALA 31 71.116 14.988 -4.969 238 HB3 ALA 31 HB3 ALA 31 70.859 14.409 -6.615 239 H GLU 32 HN GLU 32 70.584 16.377 -8.839 240 HA GLU 32 HA GLU 32 67.893 17.291 -9.564 241 HB2 GLU 32 HB2 GLU 32 70.422 16.447 -10.974 242 HB3 GLU 32 HB1 GLU 32 68.934 16.660 -11.896 243 HG2 GLU 32 HG2 GLU 32 69.601 18.838 -12.011 244 HG3 GLU 32 HG1 GLU 32 68.921 18.932 -10.388 245 H ASP 33 HN ASP 33 69.752 14.249 -10.013 246 HA ASP 33 HA ASP 33 67.266 12.843 -10.823 247 HB2 ASP 33 HB2 ASP 33 70.135 12.622 -11.234 248 HB3 ASP 33 HB1 ASP 33 69.459 11.075 -10.726 249 H GLY 34 HN GLY 34 69.489 13.024 -8.091 250 HA2 GLY 34 HA2 GLY 34 69.019 12.318 -5.864 251 HA3 GLY 34 HA1 GLY 34 67.611 11.445 -6.462 252 H SER 35 HN SER 35 71.021 11.228 -7.514 253 HA SER 35 HA SER 35 70.880 8.275 -7.076 254 HB2 SER 35 HB2 SER 35 72.912 8.397 -8.633 255 HB3 SER 35 HB1 SER 35 71.378 8.912 -9.326 256 HG SER 35 HG SER 35 73.487 10.529 -8.316 257 H ILE 36 HN ILE 36 72.024 7.410 -5.376 258 HA ILE 36 HA ILE 36 74.084 9.129 -4.028 259 HB ILE 36 HB ILE 36 72.631 6.657 -3.025 260 HG12 ILE 36 HG12 ILE 36 71.862 9.271 -1.908 261 HG13 ILE 36 HG11 ILE 36 71.427 9.078 -3.607 262 HG21 ILE 36 HG21 ILE 36 74.202 8.845 -1.636 263 HG22 ILE 36 HG22 ILE 36 74.688 7.158 -1.814 264 HG23 ILE 36 HG23 ILE 36 73.302 7.576 -0.806 265 HD11 ILE 36 HD11 ILE 36 69.582 8.173 -2.448 266 HD12 ILE 36 HD12 ILE 36 70.605 7.377 -1.258 267 HD13 ILE 36 HD13 ILE 36 70.525 6.756 -2.908 268 H SER 37 HN SER 37 76.211 8.433 -3.954 269 HA SER 37 HA SER 37 76.916 5.920 -5.382 270 HB2 SER 37 HB2 SER 37 77.972 8.388 -5.436 271 HB3 SER 37 HB1 SER 37 78.923 7.730 -4.107 272 HG SER 37 HG SER 37 79.392 7.395 -6.622 273 H THR 38 HN THR 38 78.951 4.797 -4.250 274 HA THR 38 HA THR 38 78.061 3.523 -1.843 275 HB THR 38 HB THR 38 80.429 2.657 -1.840 276 HG1 THR 38 HG1 THR 38 81.758 3.394 -3.537 277 HG21 THR 38 HG21 THR 38 78.789 1.525 -3.222 278 HG22 THR 38 HG22 THR 38 80.299 1.630 -4.124 279 HG23 THR 38 HG23 THR 38 78.973 2.730 -4.495 280 H LYS 39 HN LYS 39 80.427 6.150 -2.379 281 HA LYS 39 HA LYS 39 81.353 6.404 0.303 282 HB2 LYS 39 HB2 LYS 39 82.357 7.399 -1.749 283 HB3 LYS 39 HB1 LYS 39 81.002 8.527 -1.838 284 HG2 LYS 39 HG2 LYS 39 81.630 9.170 0.588 285 HG3 LYS 39 HG1 LYS 39 83.156 8.351 0.270 286 HD2 LYS 39 HD2 LYS 39 83.749 10.461 -0.431 287 HD3 LYS 39 HD1 LYS 39 83.056 9.867 -1.942 288 HE2 LYS 39 HE2 LYS 39 80.939 10.901 -0.269 289 HE3 LYS 39 HE1 LYS 39 82.207 12.130 -0.452 290 HZ1 LYS 39 HZ1 LYS 39 80.838 12.332 -2.338 291 HZ2 LYS 39 HZ2 LYS 39 80.762 10.652 -2.580 292 HZ3 LYS 39 HZ3 LYS 39 82.209 11.497 -2.882 293 H GLU 40 HN GLU 40 78.440 7.683 -1.266 294 HA GLU 40 HA GLU 40 77.735 9.362 1.066 295 HB2 GLU 40 HB2 GLU 40 76.403 8.675 -1.577 296 HB3 GLU 40 HB1 GLU 40 75.729 9.812 -0.409 297 HG2 GLU 40 HG2 GLU 40 76.978 11.407 -1.419 298 HG3 GLU 40 HG1 GLU 40 78.381 10.630 -0.685 299 H LEU 41 HN LEU 41 76.969 6.216 -0.300 300 HA LEU 41 HA LEU 41 74.507 5.633 0.955 301 HB2 LEU 41 HB2 LEU 41 76.374 4.400 -0.671 302 HB3 LEU 41 HB1 LEU 41 76.381 3.404 0.785 303 HG LEU 41 HG LEU 41 74.688 2.592 -0.802 304 HD11 LEU 41 HD11 LEU 41 74.295 3.153 1.899 305 HD12 LEU 41 HD12 LEU 41 73.306 2.081 0.913 306 HD13 LEU 41 HD13 LEU 41 72.829 3.764 1.125 307 HD21 LEU 41 HD21 LEU 41 73.831 4.250 -2.117 308 HD22 LEU 41 HD22 LEU 41 74.012 5.480 -0.868 309 HD23 LEU 41 HD23 LEU 41 72.628 4.388 -0.835 310 H GLY 42 HN GLY 42 77.810 5.395 2.285 311 HA2 GLY 42 HA2 GLY 42 77.255 3.870 4.596 312 HA3 GLY 42 HA1 GLY 42 78.515 5.102 4.512 313 H LYS 43 HN LYS 43 76.989 7.417 4.155 314 HA LYS 43 HA LYS 43 76.056 7.929 6.853 315 HB2 LYS 43 HB2 LYS 43 76.271 9.384 4.241 316 HB3 LYS 43 HB1 LYS 43 75.232 10.077 5.483 317 HG2 LYS 43 HG2 LYS 43 77.542 9.349 6.873 318 HG3 LYS 43 HG1 LYS 43 78.143 10.005 5.349 319 HD2 LYS 43 HD2 LYS 43 77.259 12.108 5.737 320 HD3 LYS 43 HD1 LYS 43 75.962 11.490 6.761 321 HE2 LYS 43 HE2 LYS 43 78.069 10.787 8.296 322 HE3 LYS 43 HE1 LYS 43 78.762 12.209 7.488 323 HZ1 LYS 43 HZ1 LYS 43 76.541 13.310 7.983 324 HZ2 LYS 43 HZ2 LYS 43 77.583 13.077 9.300 325 HZ3 LYS 43 HZ3 LYS 43 76.261 12.038 9.069 326 H VAL 44 HN VAL 44 74.408 7.360 3.734 327 HA VAL 44 HA VAL 44 71.750 8.013 4.505 328 HB VAL 44 HB VAL 44 72.957 6.054 2.531 329 HG11 VAL 44 HG11 VAL 44 70.809 5.120 2.874 330 HG12 VAL 44 HG12 VAL 44 70.586 6.190 1.488 331 HG13 VAL 44 HG13 VAL 44 70.058 6.702 3.095 332 HG21 VAL 44 HG21 VAL 44 73.254 7.970 1.378 333 HG22 VAL 44 HG22 VAL 44 72.371 8.895 2.592 334 HG23 VAL 44 HG23 VAL 44 71.496 8.111 1.279 335 H MET 45 HN MET 45 73.327 4.778 4.516 336 HA MET 45 HA MET 45 71.149 3.396 5.762 337 HB2 MET 45 HB2 MET 45 74.140 2.921 5.583 338 HB3 MET 45 HB1 MET 45 73.041 1.749 6.307 339 HG2 MET 45 HG2 MET 45 72.207 2.765 3.658 340 HG3 MET 45 HG1 MET 45 73.674 1.792 3.652 341 HE1 MET 45 HE1 MET 45 69.473 0.585 5.013 342 HE2 MET 45 HE2 MET 45 70.022 2.153 4.419 343 HE3 MET 45 HE3 MET 45 70.488 1.613 6.033 344 H ARG 46 HN ARG 46 74.056 4.959 7.145 345 HA ARG 46 HA ARG 46 73.659 4.208 9.867 346 HB2 ARG 46 HB2 ARG 46 75.627 5.362 8.640 347 HB3 ARG 46 HB1 ARG 46 74.754 6.866 8.944 348 HG2 ARG 46 HG2 ARG 46 74.672 5.506 11.388 349 HG3 ARG 46 HG1 ARG 46 76.307 5.234 10.788 350 HD2 ARG 46 HD2 ARG 46 76.530 7.282 11.939 351 HD3 ARG 46 HD1 ARG 46 76.254 7.820 10.271 352 HE ARG 46 HE ARG 46 73.898 8.226 10.851 353 HH11 ARG 46 HH21 ARG 46 75.791 9.504 13.012 354 HH12 ARG 46 HH22 ARG 46 74.857 9.183 14.433 355 HH21 ARG 46 HH11 ARG 46 72.767 6.906 12.856 356 HH22 ARG 46 HH12 ARG 46 73.129 7.724 14.340 357 H MET 47 HN MET 47 72.354 6.957 8.005 358 HA MET 47 HA MET 47 71.098 8.311 10.217 359 HB2 MET 47 HB2 MET 47 71.564 9.393 8.098 360 HB3 MET 47 HB1 MET 47 70.595 8.206 7.224 361 HG2 MET 47 HG2 MET 47 69.248 9.734 9.409 362 HG3 MET 47 HG1 MET 47 69.613 10.604 7.918 363 HE1 MET 47 HE1 MET 47 67.938 8.912 5.151 364 HE2 MET 47 HE2 MET 47 69.104 7.730 5.733 365 HE3 MET 47 HE3 MET 47 69.514 9.439 5.773 366 H LEU 48 HN LEU 48 70.010 5.736 8.017 367 HA LEU 48 HA LEU 48 67.249 5.710 8.965 368 HB2 LEU 48 HB2 LEU 48 69.009 4.291 7.059 369 HB3 LEU 48 HB1 LEU 48 67.692 3.318 7.712 370 HG LEU 48 HG LEU 48 66.965 6.070 6.866 371 HD11 LEU 48 HD11 LEU 48 67.426 3.903 4.802 372 HD12 LEU 48 HD12 LEU 48 68.576 5.212 5.090 373 HD13 LEU 48 HD13 LEU 48 66.945 5.575 4.517 374 HD21 LEU 48 HD21 LEU 48 64.938 4.932 6.168 375 HD22 LEU 48 HD22 LEU 48 65.393 4.300 7.750 376 HD23 LEU 48 HD23 LEU 48 65.724 3.359 6.297 377 H GLY 49 HN GLY 49 70.223 3.986 9.830 378 HA2 GLY 49 HA2 GLY 49 70.215 3.196 12.254 379 HA3 GLY 49 HA1 GLY 49 68.666 2.443 11.874 380 H GLN 50 HN GLN 50 71.540 2.511 9.777 381 HA GLN 50 HA GLN 50 71.580 -0.489 9.861 382 HB2 GLN 50 HB2 GLN 50 71.604 1.546 7.803 383 HB3 GLN 50 HB1 GLN 50 73.048 0.546 7.676 384 HG2 GLN 50 HG2 GLN 50 70.221 -0.526 7.842 385 HG3 GLN 50 HG1 GLN 50 71.156 -0.366 6.353 386 HE21 GLN 50 HE21 GLN 50 70.470 -2.504 8.935 387 HE22 GLN 50 HE22 GLN 50 71.747 -3.593 8.681 388 H ASN 51 HN ASN 51 73.724 2.354 9.532 389 HA ASN 51 HA ASN 51 75.947 2.731 10.218 390 HB2 ASN 51 HB2 ASN 51 74.647 1.835 12.320 391 HB3 ASN 51 HB1 ASN 51 75.608 0.380 12.071 392 HD21 ASN 51 HD21 ASN 51 76.264 1.445 14.395 393 HD22 ASN 51 HD22 ASN 51 77.667 2.395 14.332 394 HA PRO 52 HA PRO 52 77.319 -1.166 7.982 395 HB2 PRO 52 HB2 PRO 52 77.476 -0.215 5.427 396 HB3 PRO 52 HB1 PRO 52 76.003 -0.957 6.080 397 HG2 PRO 52 HG2 PRO 52 76.642 1.899 5.628 398 HG3 PRO 52 HG1 PRO 52 75.091 1.057 5.523 399 HD2 PRO 52 HD2 PRO 52 75.927 2.651 7.637 400 HD3 PRO 52 HD1 PRO 52 74.614 1.455 7.704 401 H THR 53 HN THR 53 79.562 -1.452 7.412 402 HA THR 53 HA THR 53 81.278 0.936 7.850 403 HB THR 53 HB THR 53 83.032 -0.800 8.112 404 HG1 THR 53 HG1 THR 53 82.559 -2.905 7.750 405 HG21 THR 53 HG21 THR 53 80.997 -0.279 9.835 406 HG22 THR 53 HG22 THR 53 82.338 -1.358 10.210 407 HG23 THR 53 HG23 THR 53 80.809 -2.020 9.635 408 HA PRO 54 HA PRO 54 82.433 1.355 3.649 409 HB2 PRO 54 HB2 PRO 54 85.173 1.535 3.710 410 HB3 PRO 54 HB1 PRO 54 84.088 2.842 4.228 411 HG2 PRO 54 HG2 PRO 54 85.545 0.826 5.876 412 HG3 PRO 54 HG1 PRO 54 85.299 2.556 6.169 413 HD2 PRO 54 HD2 PRO 54 83.843 0.656 7.425 414 HD3 PRO 54 HD1 PRO 54 83.172 2.249 7.010 415 H GLU 55 HN GLU 55 84.192 -1.207 5.382 416 HA GLU 55 HA GLU 55 85.006 -2.591 2.930 417 HB2 GLU 55 HB2 GLU 55 85.864 -4.246 4.508 418 HB3 GLU 55 HB1 GLU 55 86.247 -2.634 5.107 419 HG2 GLU 55 HG2 GLU 55 83.646 -3.505 6.081 420 HG3 GLU 55 HG1 GLU 55 84.897 -4.671 6.501 421 H GLU 56 HN GLU 56 82.223 -2.673 5.071 422 HA GLU 56 HA GLU 56 81.208 -5.196 3.863 423 HB2 GLU 56 HB2 GLU 56 80.290 -3.355 6.096 424 HB3 GLU 56 HB1 GLU 56 79.395 -4.790 5.596 425 HG2 GLU 56 HG2 GLU 56 82.278 -5.235 6.093 426 HG3 GLU 56 HG1 GLU 56 81.338 -4.803 7.521 427 H LEU 57 HN LEU 57 80.519 -1.722 4.003 428 HA LEU 57 HA LEU 57 77.974 -1.604 2.785 429 HB2 LEU 57 HB2 LEU 57 79.293 0.244 3.830 430 HB3 LEU 57 HB1 LEU 57 80.361 0.239 2.429 431 HG LEU 57 HG LEU 57 78.184 0.568 1.049 432 HD11 LEU 57 HD11 LEU 57 77.303 1.282 3.851 433 HD12 LEU 57 HD12 LEU 57 76.542 0.141 2.742 434 HD13 LEU 57 HD13 LEU 57 76.484 1.872 2.406 435 HD21 LEU 57 HD21 LEU 57 78.243 3.110 2.016 436 HD22 LEU 57 HD22 LEU 57 79.463 2.454 0.924 437 HD23 LEU 57 HD23 LEU 57 79.763 2.490 2.661 438 H GLN 58 HN GLN 58 81.165 -2.123 1.322 439 HA GLN 58 HA GLN 58 80.617 -1.634 -1.411 440 HB2 GLN 58 HB2 GLN 58 82.783 -2.270 -0.144 441 HB3 GLN 58 HB1 GLN 58 82.260 -3.944 -0.337 442 HG2 GLN 58 HG2 GLN 58 83.389 -3.819 -2.309 443 HG3 GLN 58 HG1 GLN 58 81.928 -3.009 -2.881 444 HE21 GLN 58 HE21 GLN 58 82.075 -0.771 -3.394 445 HE22 GLN 58 HE22 GLN 58 83.504 0.131 -3.238 446 H GLU 59 HN GLU 59 80.442 -4.827 0.257 447 HA GLU 59 HA GLU 59 79.088 -6.187 -1.888 448 HB2 GLU 59 HB2 GLU 59 80.343 -7.276 -0.064 449 HB3 GLU 59 HB1 GLU 59 79.164 -6.685 1.107 450 HG2 GLU 59 HG2 GLU 59 77.885 -8.494 0.720 451 HG3 GLU 59 HG1 GLU 59 77.713 -8.002 -0.964 452 H MET 60 HN MET 60 77.917 -4.506 1.028 453 HA MET 60 HA MET 60 75.157 -5.091 0.957 454 HB2 MET 60 HB2 MET 60 76.918 -2.858 1.852 455 HB3 MET 60 HB1 MET 60 75.188 -2.535 1.795 456 HG2 MET 60 HG2 MET 60 74.988 -4.837 3.039 457 HG3 MET 60 HG1 MET 60 76.677 -4.551 3.454 458 HE1 MET 60 HE1 MET 60 73.969 -1.296 3.295 459 HE2 MET 60 HE2 MET 60 72.945 -2.242 4.374 460 HE3 MET 60 HE3 MET 60 73.486 -2.938 2.846 461 H ILE 61 HN ILE 61 77.000 -2.710 -0.952 462 HA ILE 61 HA ILE 61 74.538 -1.763 -2.317 463 HB ILE 61 HB ILE 61 77.468 -1.002 -2.283 464 HG12 ILE 61 HG12 ILE 61 74.977 0.598 -1.607 465 HG13 ILE 61 HG11 ILE 61 75.887 -0.321 -0.411 466 HG21 ILE 61 HG21 ILE 61 76.418 1.010 -3.699 467 HG22 ILE 61 HG22 ILE 61 75.311 -0.256 -4.223 468 HG23 ILE 61 HG23 ILE 61 77.044 -0.435 -4.494 469 HD11 ILE 61 HD11 ILE 61 76.648 1.985 -0.356 470 HD12 ILE 61 HD12 ILE 61 76.917 1.978 -2.099 471 HD13 ILE 61 HD13 ILE 61 77.930 0.989 -1.046 472 H ASP 62 HN ASP 62 77.659 -3.326 -3.205 473 HA ASP 62 HA ASP 62 77.218 -3.612 -5.991 474 HB2 ASP 62 HB2 ASP 62 78.819 -4.966 -3.863 475 HB3 ASP 62 HB1 ASP 62 78.709 -5.772 -5.425 476 H GLU 63 HN GLU 63 76.240 -5.819 -3.324 477 HA GLU 63 HA GLU 63 75.169 -7.893 -5.013 478 HB2 GLU 63 HB2 GLU 63 75.746 -7.800 -2.454 479 HB3 GLU 63 HB1 GLU 63 74.092 -7.208 -2.282 480 HG2 GLU 63 HG2 GLU 63 73.152 -9.199 -3.002 481 HG3 GLU 63 HG1 GLU 63 74.564 -9.643 -3.958 482 H VAL 64 HN VAL 64 73.715 -4.985 -3.572 483 HA VAL 64 HA VAL 64 71.013 -5.596 -4.496 484 HB VAL 64 HB VAL 64 72.414 -3.177 -3.316 485 HG11 VAL 64 HG11 VAL 64 70.651 -2.082 -4.342 486 HG12 VAL 64 HG12 VAL 64 69.852 -2.602 -2.859 487 HG13 VAL 64 HG13 VAL 64 69.625 -3.515 -4.350 488 HG21 VAL 64 HG21 VAL 64 70.527 -5.298 -2.252 489 HG22 VAL 64 HG22 VAL 64 70.909 -3.821 -1.369 490 HG23 VAL 64 HG23 VAL 64 72.184 -4.979 -1.740 491 H ASP 65 HN ASP 65 73.666 -3.489 -5.624 492 HA ASP 65 HA ASP 65 72.230 -2.173 -7.742 493 HB2 ASP 65 HB2 ASP 65 74.524 -1.733 -6.569 494 HB3 ASP 65 HB1 ASP 65 75.170 -2.864 -7.755 495 H GLU 66 HN GLU 66 71.078 -3.688 -9.055 496 HA GLU 66 HA GLU 66 72.491 -6.021 -10.205 497 HB2 GLU 66 HB2 GLU 66 69.701 -4.951 -10.038 498 HB3 GLU 66 HB1 GLU 66 70.069 -6.086 -11.336 499 HG2 GLU 66 HG2 GLU 66 71.148 -7.533 -9.455 500 HG3 GLU 66 HG1 GLU 66 70.205 -6.525 -8.358 501 H ASP 67 HN ASP 67 71.306 -2.846 -11.259 502 HA ASP 67 HA ASP 67 71.567 -3.273 -14.095 503 HB2 ASP 67 HB2 ASP 67 71.366 -0.831 -14.181 504 HB3 ASP 67 HB1 ASP 67 70.248 -1.485 -12.991 505 H GLY 68 HN GLY 68 73.966 -2.650 -11.614 506 HA2 GLY 68 HA2 GLY 68 76.318 -2.787 -11.859 507 HA3 GLY 68 HA1 GLY 68 76.092 -2.952 -13.598 508 H SER 69 HN SER 69 75.379 -0.408 -11.169 509 HA SER 69 HA SER 69 76.725 1.549 -13.010 510 HB2 SER 69 HB2 SER 69 75.037 3.130 -12.420 511 HB3 SER 69 HB1 SER 69 74.179 1.623 -12.707 512 HG SER 69 HG SER 69 74.313 3.108 -10.481 513 H GLY 70 HN GLY 70 76.317 0.421 -9.677 514 HA2 GLY 70 HA2 GLY 70 78.043 0.639 -8.004 515 HA3 GLY 70 HA1 GLY 70 78.709 2.004 -8.901 516 H THR 71 HN THR 71 75.710 2.942 -9.093 517 HA THR 71 HA THR 71 75.740 4.344 -6.451 518 HB THR 71 HB THR 71 74.238 5.950 -7.744 519 HG1 THR 71 HG1 THR 71 73.871 5.578 -9.810 520 HG21 THR 71 HG21 THR 71 77.031 5.644 -7.768 521 HG22 THR 71 HG22 THR 71 76.121 7.106 -8.151 522 HG23 THR 71 HG23 THR 71 76.586 5.991 -9.438 523 H VAL 72 HN VAL 72 74.018 4.056 -5.054 524 HA VAL 72 HA VAL 72 71.960 2.059 -5.763 525 HB VAL 72 HB VAL 72 72.616 3.624 -3.247 526 HG11 VAL 72 HG11 VAL 72 71.054 2.195 -2.085 527 HG12 VAL 72 HG12 VAL 72 70.780 1.228 -3.535 528 HG13 VAL 72 HG13 VAL 72 70.191 2.889 -3.459 529 HG21 VAL 72 HG21 VAL 72 72.907 0.685 -3.352 530 HG22 VAL 72 HG22 VAL 72 74.008 1.898 -2.704 531 HG23 VAL 72 HG23 VAL 72 73.992 1.556 -4.432 532 H ASP 73 HN ASP 73 69.816 2.512 -6.151 533 HA ASP 73 HA ASP 73 68.934 5.381 -5.992 534 HB2 ASP 73 HB2 ASP 73 67.392 4.607 -7.920 535 HB3 ASP 73 HB1 ASP 73 69.105 4.772 -8.290 536 H PHE 74 HN PHE 74 66.211 5.059 -6.354 537 HA PHE 74 HA PHE 74 65.283 4.184 -3.777 538 HB2 PHE 74 HB2 PHE 74 64.301 5.861 -5.523 539 HB3 PHE 74 HB1 PHE 74 63.549 4.432 -6.236 540 HD1 PHE 74 HD1 PHE 74 64.176 5.641 -2.734 541 HD2 PHE 74 HD2 PHE 74 61.333 4.160 -5.591 542 HE1 PHE 74 HE1 PHE 74 62.412 5.683 -0.997 543 HE2 PHE 74 HE2 PHE 74 59.563 4.204 -3.852 544 HZ PHE 74 HZ PHE 74 60.102 4.966 -1.555 545 H ASP 75 HN ASP 75 65.060 2.658 -7.011 546 HA ASP 75 HA ASP 75 63.543 0.364 -6.301 547 HB2 ASP 75 HB2 ASP 75 64.262 1.256 -8.581 548 HB3 ASP 75 HB1 ASP 75 65.822 0.488 -8.292 549 H GLU 76 HN GLU 76 67.115 0.762 -6.365 550 HA GLU 76 HA GLU 76 67.689 -1.884 -5.341 551 HB2 GLU 76 HB2 GLU 76 69.085 0.684 -5.880 552 HB3 GLU 76 HB1 GLU 76 69.855 -0.359 -4.687 553 HG2 GLU 76 HG2 GLU 76 70.401 -1.948 -6.234 554 HG3 GLU 76 HG1 GLU 76 68.899 -1.736 -7.130 555 H PHE 77 HN PHE 77 67.402 1.329 -3.784 556 HA PHE 77 HA PHE 77 68.083 0.622 -1.119 557 HB2 PHE 77 HB2 PHE 77 67.812 2.910 -1.887 558 HB3 PHE 77 HB1 PHE 77 66.120 2.627 -2.286 559 HD1 PHE 77 HD1 PHE 77 68.440 2.259 0.652 560 HD2 PHE 77 HD2 PHE 77 64.528 3.340 -0.752 561 HE1 PHE 77 HE1 PHE 77 67.791 2.911 2.957 562 HE2 PHE 77 HE2 PHE 77 63.879 3.990 1.548 563 HZ PHE 77 HZ PHE 77 65.515 3.776 3.405 564 H LEU 78 HN LEU 78 64.951 0.393 -2.824 565 HA LEU 78 HA LEU 78 63.269 -0.397 -0.679 566 HB2 LEU 78 HB2 LEU 78 63.329 -0.402 -3.593 567 HB3 LEU 78 HB1 LEU 78 62.466 -1.809 -2.971 568 HG LEU 78 HG LEU 78 61.861 0.785 -1.655 569 HD11 LEU 78 HD11 LEU 78 61.531 1.829 -3.659 570 HD12 LEU 78 HD12 LEU 78 60.078 0.838 -3.736 571 HD13 LEU 78 HD13 LEU 78 61.543 0.312 -4.559 572 HD21 LEU 78 HD21 LEU 78 60.828 -1.579 -1.273 573 HD22 LEU 78 HD22 LEU 78 59.947 -1.266 -2.767 574 HD23 LEU 78 HD23 LEU 78 59.735 -0.201 -1.378 575 H VAL 79 HN VAL 79 65.308 -2.431 -2.818 576 HA VAL 79 HA VAL 79 64.544 -4.943 -1.524 577 HB VAL 79 HB VAL 79 66.888 -4.242 -3.331 578 HG11 VAL 79 HG11 VAL 79 65.564 -6.933 -3.250 579 HG12 VAL 79 HG12 VAL 79 66.684 -6.516 -1.952 580 HG13 VAL 79 HG13 VAL 79 67.236 -6.519 -3.626 581 HG21 VAL 79 HG21 VAL 79 65.438 -4.992 -5.179 582 HG22 VAL 79 HG22 VAL 79 64.692 -3.637 -4.333 583 HG23 VAL 79 HG23 VAL 79 64.120 -5.280 -4.044 584 H MET 80 HN MET 80 67.235 -2.640 -1.249 585 HA MET 80 HA MET 80 68.962 -4.243 0.399 586 HB2 MET 80 HB2 MET 80 69.681 -2.260 -0.839 587 HB3 MET 80 HB1 MET 80 68.573 -1.244 0.083 588 HG2 MET 80 HG2 MET 80 69.880 -1.319 2.000 589 HG3 MET 80 HG1 MET 80 70.588 -2.879 1.579 590 HE1 MET 80 HE1 MET 80 70.045 0.652 0.516 591 HE2 MET 80 HE2 MET 80 71.574 1.244 -0.129 592 HE3 MET 80 HE3 MET 80 71.393 1.009 1.608 593 H MET 81 HN MET 81 66.234 -2.107 1.137 594 HA MET 81 HA MET 81 66.617 -1.943 3.982 595 HB2 MET 81 HB2 MET 81 64.576 -1.340 1.933 596 HB3 MET 81 HB1 MET 81 63.921 -1.646 3.542 597 HG2 MET 81 HG2 MET 81 66.247 0.232 3.102 598 HG3 MET 81 HG1 MET 81 64.573 0.781 3.006 599 HE1 MET 81 HE1 MET 81 67.110 0.715 6.534 600 HE2 MET 81 HE2 MET 81 67.392 0.922 4.807 601 HE3 MET 81 HE3 MET 81 67.391 -0.698 5.500 602 H VAL 82 HN VAL 82 64.370 -4.014 2.059 603 HA VAL 82 HA VAL 82 63.404 -5.533 4.276 604 HB VAL 82 HB VAL 82 62.730 -7.169 2.500 605 HG11 VAL 82 HG11 VAL 82 61.256 -5.642 1.312 606 HG12 VAL 82 HG12 VAL 82 62.303 -4.274 1.696 607 HG13 VAL 82 HG13 VAL 82 61.417 -5.097 2.982 608 HG21 VAL 82 HG21 VAL 82 64.847 -6.784 1.120 609 HG22 VAL 82 HG22 VAL 82 64.094 -5.294 0.553 610 HG23 VAL 82 HG23 VAL 82 63.339 -6.848 0.207 611 H ARG 83 HN ARG 83 66.304 -5.920 2.277 612 HA ARG 83 HA ARG 83 67.087 -8.539 3.174 613 HB2 ARG 83 HB2 ARG 83 68.235 -6.198 1.765 614 HB3 ARG 83 HB1 ARG 83 69.421 -7.210 2.588 615 HG2 ARG 83 HG2 ARG 83 68.517 -9.202 1.438 616 HG3 ARG 83 HG1 ARG 83 67.345 -8.184 0.602 617 HD2 ARG 83 HD2 ARG 83 69.190 -6.927 -0.474 618 HD3 ARG 83 HD1 ARG 83 70.370 -7.956 0.366 619 HE ARG 83 HE ARG 83 68.302 -9.369 -1.212 620 HH11 ARG 83 HH11 ARG 83 70.959 -10.506 -0.315 621 HH12 ARG 83 HH12 ARG 83 71.853 -10.510 -1.795 622 HH21 ARG 83 HH21 ARG 83 69.658 -8.338 -3.399 623 HH22 ARG 83 HH22 ARG 83 71.116 -9.257 -3.557 624 H SER 84 HN SER 84 67.596 -5.279 4.508 625 HA SER 84 HA SER 84 69.323 -6.313 6.689 626 HB2 SER 84 HB2 SER 84 69.828 -4.049 7.015 627 HB3 SER 84 HB1 SER 84 69.470 -4.087 5.292 628 HG SER 84 HG SER 84 67.519 -3.181 5.673 629 H MET 85 HN MET 85 65.969 -5.822 6.146 630 HA MET 85 HA MET 85 65.094 -4.954 8.737 631 HB2 MET 85 HB2 MET 85 64.002 -6.130 6.251 632 HB3 MET 85 HB1 MET 85 63.021 -6.397 7.692 633 HG2 MET 85 HG2 MET 85 63.363 -3.863 8.139 634 HG3 MET 85 HG1 MET 85 63.860 -3.780 6.449 635 HE1 MET 85 HE1 MET 85 60.430 -2.330 5.942 636 HE2 MET 85 HE2 MET 85 62.032 -2.477 5.224 637 HE3 MET 85 HE3 MET 85 61.872 -1.968 6.903 638 H LYS 86 HN LYS 86 65.413 -8.257 7.348 639 HA LYS 86 HA LYS 86 65.134 -9.330 10.146 640 HB2 LYS 86 HB2 LYS 86 64.203 -10.391 7.460 641 HB3 LYS 86 HB1 LYS 86 64.145 -11.339 8.946 642 HG2 LYS 86 HG2 LYS 86 62.575 -9.893 9.951 643 HG3 LYS 86 HG1 LYS 86 62.899 -8.598 8.798 644 HD2 LYS 86 HD2 LYS 86 61.404 -9.415 7.311 645 HD3 LYS 86 HD1 LYS 86 62.019 -11.059 7.485 646 HE2 LYS 86 HE2 LYS 86 59.978 -11.427 8.474 647 HE3 LYS 86 HE1 LYS 86 60.771 -10.726 9.899 648 HZ1 LYS 86 HZ1 LYS 86 59.153 -9.292 7.856 649 HZ2 LYS 86 HZ2 LYS 86 60.115 -8.498 9.008 650 HZ3 LYS 86 HZ3 LYS 86 58.809 -9.458 9.508 651 H ASP 87 HN ASP 87 65.867 -11.964 9.632 652 HA ASP 87 HA ASP 87 68.732 -11.887 9.644 653 HB2 ASP 87 HB2 ASP 87 67.029 -13.607 10.582 654 HB3 ASP 87 HB1 ASP 87 67.038 -14.295 8.958 655 H ASP 88 HN ASP 88 70.201 -12.808 8.047 656 HA ASP 88 HA ASP 88 69.535 -12.062 5.301 657 HB2 ASP 88 HB2 ASP 88 71.882 -12.529 4.921 658 HB3 ASP 88 HB1 ASP 88 71.740 -11.716 6.478 659 H SER 89 HN SER 89 69.561 -15.033 7.158 660 HA SER 89 HA SER 89 69.798 -16.885 4.943 661 HB2 SER 89 HB2 SER 89 69.831 -16.987 7.694 662 HB3 SER 89 HB1 SER 89 68.265 -17.707 7.334 663 HG SER 89 HG SER 89 69.267 -19.404 6.615 Start of MODEL 12 1 H1 MET 1 HT1 MET 1 65.727 -13.809 -11.860 2 H2 MET 1 HT2 MET 1 65.241 -12.382 -11.068 3 H3 MET 1 HT3 MET 1 64.597 -13.881 -10.603 4 HA MET 1 HA MET 1 66.674 -14.604 -9.701 5 HB2 MET 1 HB2 MET 1 67.534 -12.376 -11.459 6 HB3 MET 1 HB1 MET 1 68.431 -12.514 -9.946 7 HG2 MET 1 HG2 MET 1 68.590 -15.048 -10.537 8 HG3 MET 1 HG1 MET 1 68.171 -14.527 -12.171 9 HE1 MET 1 HE1 MET 1 72.051 -15.278 -12.004 10 HE2 MET 1 HE2 MET 1 70.666 -15.479 -13.072 11 HE3 MET 1 HE3 MET 1 70.586 -16.080 -11.418 12 H ASP 2 HN ASP 2 66.999 -14.141 -7.500 13 HA ASP 2 HA ASP 2 66.579 -13.124 -5.407 14 HB2 ASP 2 HB2 ASP 2 68.137 -11.535 -6.830 15 HB3 ASP 2 HB1 ASP 2 66.720 -10.490 -6.861 16 H ASP 3 HN ASP 3 64.248 -13.814 -7.022 17 HA ASP 3 HA ASP 3 62.307 -11.650 -6.985 18 HB2 ASP 3 HB2 ASP 3 62.004 -14.664 -7.202 19 HB3 ASP 3 HB1 ASP 3 60.775 -13.477 -7.631 20 H ILE 4 HN ILE 4 63.319 -14.090 -4.673 21 HA ILE 4 HA ILE 4 61.035 -14.235 -2.990 22 HB ILE 4 HB ILE 4 63.102 -15.656 -2.985 23 HG12 ILE 4 HG12 ILE 4 62.745 -14.460 -0.250 24 HG13 ILE 4 HG11 ILE 4 61.429 -15.342 -1.022 25 HG21 ILE 4 HG21 ILE 4 64.618 -13.554 -3.081 26 HG22 ILE 4 HG22 ILE 4 65.142 -14.897 -2.068 27 HG23 ILE 4 HG23 ILE 4 64.388 -13.482 -1.333 28 HD11 ILE 4 HD11 ILE 4 62.664 -17.350 -1.111 29 HD12 ILE 4 HD12 ILE 4 63.053 -16.691 0.477 30 HD13 ILE 4 HD13 ILE 4 64.197 -16.520 -0.858 31 H TYR 5 HN TYR 5 63.536 -11.749 -3.273 32 HA TYR 5 HA TYR 5 62.759 -10.332 -0.815 33 HB2 TYR 5 HB2 TYR 5 64.652 -9.953 -3.123 34 HB3 TYR 5 HB1 TYR 5 64.358 -8.620 -2.011 35 HD1 TYR 5 HD2 TYR 5 64.408 -9.383 0.594 36 HD2 TYR 5 HD1 TYR 5 66.420 -11.370 -2.641 37 HE1 TYR 5 HE2 TYR 5 66.005 -10.396 2.200 38 HE2 TYR 5 HE1 TYR 5 68.011 -12.380 -1.032 39 HH TYR 5 HH TYR 5 67.678 -12.914 1.769 40 H LYS 6 HN LYS 6 62.285 -9.932 -4.334 41 HA LYS 6 HA LYS 6 61.001 -7.401 -4.356 42 HB2 LYS 6 HB2 LYS 6 60.932 -9.889 -6.062 43 HB3 LYS 6 HB1 LYS 6 59.893 -8.522 -6.462 44 HG2 LYS 6 HG2 LYS 6 61.656 -7.174 -7.060 45 HG3 LYS 6 HG1 LYS 6 62.748 -7.901 -5.874 46 HD2 LYS 6 HD2 LYS 6 62.840 -9.962 -7.287 47 HD3 LYS 6 HD1 LYS 6 61.879 -9.125 -8.510 48 HE2 LYS 6 HE2 LYS 6 63.905 -8.455 -9.344 49 HE3 LYS 6 HE1 LYS 6 63.906 -7.298 -8.002 50 HZ1 LYS 6 HZ1 LYS 6 65.871 -8.502 -7.708 51 HZ2 LYS 6 HZ2 LYS 6 65.151 -9.983 -8.121 52 HZ3 LYS 6 HZ3 LYS 6 64.799 -9.247 -6.627 53 H ALA 7 HN ALA 7 59.657 -10.660 -3.777 54 HA ALA 7 HA ALA 7 56.883 -10.046 -3.760 55 HB1 ALA 7 HB1 ALA 7 58.592 -11.996 -2.178 56 HB2 ALA 7 HB2 ALA 7 57.752 -12.310 -3.696 57 HB3 ALA 7 HB3 ALA 7 56.829 -12.062 -2.213 58 H ALA 8 HN ALA 8 59.294 -9.841 -1.113 59 HA ALA 8 HA ALA 8 57.544 -9.049 1.000 60 HB1 ALA 8 HB1 ALA 8 60.363 -8.016 0.643 61 HB2 ALA 8 HB2 ALA 8 60.068 -9.731 0.936 62 HB3 ALA 8 HB3 ALA 8 59.559 -8.535 2.125 63 H VAL 9 HN VAL 9 59.531 -6.977 -1.172 64 HA VAL 9 HA VAL 9 58.578 -4.464 -0.222 65 HB VAL 9 HB VAL 9 59.747 -5.506 -2.810 66 HG11 VAL 9 HG11 VAL 9 58.690 -2.747 -2.199 67 HG12 VAL 9 HG12 VAL 9 58.511 -3.697 -3.674 68 HG13 VAL 9 HG13 VAL 9 60.063 -2.955 -3.288 69 HG21 VAL 9 HG21 VAL 9 61.563 -3.843 -1.970 70 HG22 VAL 9 HG22 VAL 9 61.374 -5.370 -1.107 71 HG23 VAL 9 HG23 VAL 9 60.686 -3.889 -0.441 72 H GLU 10 HN GLU 10 57.258 -6.664 -2.683 73 HA GLU 10 HA GLU 10 55.193 -4.852 -3.626 74 HB2 GLU 10 HB2 GLU 10 56.349 -7.138 -4.509 75 HB3 GLU 10 HB1 GLU 10 54.874 -7.808 -3.812 76 HG2 GLU 10 HG2 GLU 10 54.738 -5.409 -5.632 77 HG3 GLU 10 HG1 GLU 10 54.844 -7.034 -6.309 78 H GLN 11 HN GLN 11 55.336 -7.419 -1.164 79 HA GLN 11 HA GLN 11 52.463 -7.268 -0.566 80 HB2 GLN 11 HB2 GLN 11 54.823 -8.884 0.134 81 HB3 GLN 11 HB1 GLN 11 53.705 -8.659 1.478 82 HG2 GLN 11 HG2 GLN 11 53.028 -10.648 0.275 83 HG3 GLN 11 HG1 GLN 11 51.835 -9.388 -0.051 84 HE21 GLN 11 HE21 GLN 11 51.829 -8.418 -2.215 85 HE22 GLN 11 HE22 GLN 11 52.649 -9.151 -3.509 86 H LEU 12 HN LEU 12 55.292 -5.542 0.502 87 HA LEU 12 HA LEU 12 54.622 -4.919 3.200 88 HB2 LEU 12 HB2 LEU 12 56.165 -3.633 0.964 89 HB3 LEU 12 HB1 LEU 12 55.897 -2.713 2.443 90 HG LEU 12 HG LEU 12 57.006 -5.530 2.479 91 HD11 LEU 12 HD11 LEU 12 58.276 -3.263 1.395 92 HD12 LEU 12 HD12 LEU 12 59.044 -4.778 1.869 93 HD13 LEU 12 HD13 LEU 12 58.948 -3.441 3.015 94 HD21 LEU 12 HD21 LEU 12 57.981 -4.084 4.627 95 HD22 LEU 12 HD22 LEU 12 56.582 -5.159 4.682 96 HD23 LEU 12 HD23 LEU 12 56.357 -3.428 4.435 97 H THR 13 HN THR 13 53.476 -3.070 4.083 98 HA THR 13 HA THR 13 51.146 -2.227 2.482 99 HB THR 13 HB THR 13 50.395 -1.250 4.581 100 HG1 THR 13 HG1 THR 13 52.882 -1.931 5.725 101 HG21 THR 13 HG21 THR 13 51.124 -3.967 4.254 102 HG22 THR 13 HG22 THR 13 49.884 -3.307 5.318 103 HG23 THR 13 HG23 THR 13 51.528 -3.533 5.916 104 H GLU 14 HN GLU 14 50.563 0.018 2.220 105 HA GLU 14 HA GLU 14 52.457 1.672 0.960 106 HB2 GLU 14 HB2 GLU 14 49.796 2.067 2.317 107 HB3 GLU 14 HB1 GLU 14 50.620 3.433 1.562 108 HG2 GLU 14 HG2 GLU 14 49.917 2.756 -0.471 109 HG3 GLU 14 HG1 GLU 14 50.692 1.190 -0.241 110 H GLU 15 HN GLU 15 51.387 1.740 4.374 111 HA GLU 15 HA GLU 15 52.704 4.118 5.187 112 HB2 GLU 15 HB2 GLU 15 51.015 2.842 6.481 113 HB3 GLU 15 HB1 GLU 15 52.192 1.547 6.723 114 HG2 GLU 15 HG2 GLU 15 53.240 2.668 8.388 115 HG3 GLU 15 HG1 GLU 15 53.247 4.175 7.473 116 H GLN 16 HN GLN 16 53.887 0.744 5.531 117 HA GLN 16 HA GLN 16 56.462 1.279 6.548 118 HB2 GLN 16 HB2 GLN 16 55.479 -0.830 4.594 119 HB3 GLN 16 HB1 GLN 16 56.993 -0.940 5.495 120 HG2 GLN 16 HG2 GLN 16 55.769 -0.879 7.617 121 HG3 GLN 16 HG1 GLN 16 54.247 -0.667 6.755 122 HE21 GLN 16 HE21 GLN 16 56.390 -3.024 8.020 123 HE22 GLN 16 HE22 GLN 16 55.704 -4.381 7.268 124 H LYS 17 HN LYS 17 55.431 1.040 3.141 125 HA LYS 17 HA LYS 17 57.983 1.587 1.945 126 HB2 LYS 17 HB2 LYS 17 55.091 1.666 1.148 127 HB3 LYS 17 HB1 LYS 17 56.271 2.407 0.064 128 HG2 LYS 17 HG2 LYS 17 57.550 0.328 -0.033 129 HG3 LYS 17 HG1 LYS 17 56.463 -0.424 1.135 130 HD2 LYS 17 HD2 LYS 17 55.291 0.742 -1.366 131 HD3 LYS 17 HD1 LYS 17 56.126 -0.805 -1.470 132 HE2 LYS 17 HE2 LYS 17 54.541 -1.121 0.788 133 HE3 LYS 17 HE1 LYS 17 53.502 -0.196 -0.309 134 HZ1 LYS 17 HZ1 LYS 17 53.896 -1.763 -2.050 135 HZ2 LYS 17 HZ2 LYS 17 53.421 -2.644 -0.680 136 HZ3 LYS 17 HZ3 LYS 17 55.058 -2.598 -1.132 137 H ASN 18 HN ASN 18 55.281 3.773 2.828 138 HA ASN 18 HA ASN 18 56.542 6.179 1.839 139 HB2 ASN 18 HB2 ASN 18 54.432 6.863 2.267 140 HB3 ASN 18 HB1 ASN 18 54.102 5.332 3.062 141 HD21 ASN 18 HD21 ASN 18 55.157 8.684 3.645 142 HD22 ASN 18 HD22 ASN 18 54.853 8.665 5.312 143 H GLU 19 HN GLU 19 56.590 4.543 5.010 144 HA GLU 19 HA GLU 19 57.915 6.609 6.495 145 HB2 GLU 19 HB2 GLU 19 57.852 3.581 6.706 146 HB3 GLU 19 HB1 GLU 19 58.625 4.605 7.918 147 HG2 GLU 19 HG2 GLU 19 56.213 5.850 7.681 148 HG3 GLU 19 HG1 GLU 19 55.747 4.180 7.368 149 H PHE 20 HN PHE 20 59.200 3.868 4.589 150 HA PHE 20 HA PHE 20 61.990 4.394 5.084 151 HB2 PHE 20 HB2 PHE 20 60.345 2.868 3.086 152 HB3 PHE 20 HB1 PHE 20 62.053 3.121 2.738 153 HD1 PHE 20 HD1 PHE 20 63.544 2.839 5.065 154 HD2 PHE 20 HD2 PHE 20 59.897 0.807 4.085 155 HE1 PHE 20 HE1 PHE 20 64.148 1.012 6.626 156 HE2 PHE 20 HE2 PHE 20 60.496 -1.025 5.644 157 HZ PHE 20 HZ PHE 20 62.624 -0.922 6.914 158 H LYS 21 HN LYS 21 59.728 5.513 2.577 159 HA LYS 21 HA LYS 21 61.619 6.854 0.889 160 HB2 LYS 21 HB2 LYS 21 59.256 6.235 0.354 161 HB3 LYS 21 HB1 LYS 21 58.707 7.496 1.460 162 HG2 LYS 21 HG2 LYS 21 60.683 8.347 -0.583 163 HG3 LYS 21 HG1 LYS 21 59.085 7.915 -1.191 164 HD2 LYS 21 HD2 LYS 21 58.202 9.416 0.753 165 HD3 LYS 21 HD1 LYS 21 59.841 10.072 0.769 166 HE2 LYS 21 HE2 LYS 21 59.588 10.494 -1.726 167 HE3 LYS 21 HE1 LYS 21 57.867 10.109 -1.531 168 HZ1 LYS 21 HZ1 LYS 21 58.313 12.495 -1.229 169 HZ2 LYS 21 HZ2 LYS 21 59.358 12.135 0.060 170 HZ3 LYS 21 HZ3 LYS 21 57.699 11.787 0.187 171 H ALA 22 HN ALA 22 60.010 7.856 3.881 172 HA ALA 22 HA ALA 22 60.337 10.661 3.799 173 HB1 ALA 22 HB1 ALA 22 60.757 8.861 6.203 174 HB2 ALA 22 HB2 ALA 22 59.172 9.186 5.507 175 HB3 ALA 22 HB3 ALA 22 60.117 10.506 6.196 176 H ALA 23 HN ALA 23 62.782 8.160 4.427 177 HA ALA 23 HA ALA 23 64.804 10.097 5.323 178 HB1 ALA 23 HB1 ALA 23 66.183 7.857 4.921 179 HB2 ALA 23 HB2 ALA 23 64.568 7.152 4.867 180 HB3 ALA 23 HB3 ALA 23 65.102 8.021 6.306 181 H PHE 24 HN PHE 24 63.900 8.478 2.323 182 HA PHE 24 HA PHE 24 66.296 8.854 0.834 183 HB2 PHE 24 HB2 PHE 24 63.767 7.806 0.448 184 HB3 PHE 24 HB1 PHE 24 63.774 9.194 -0.643 185 HD1 PHE 24 HD2 PHE 24 66.426 6.780 0.455 186 HD2 PHE 24 HD1 PHE 24 64.245 8.496 -2.821 187 HE1 PHE 24 HE2 PHE 24 67.837 5.519 -1.142 188 HE2 PHE 24 HE1 PHE 24 65.655 7.234 -4.423 189 HZ PHE 24 HZ PHE 24 67.456 5.747 -3.578 190 H ASP 25 HN ASP 25 63.507 11.052 1.287 191 HA ASP 25 HA ASP 25 64.144 13.076 -0.559 192 HB2 ASP 25 HB2 ASP 25 62.801 12.925 2.113 193 HB3 ASP 25 HB1 ASP 25 63.066 14.513 1.397 194 H ILE 26 HN ILE 26 65.773 12.403 2.519 195 HA ILE 26 HA ILE 26 67.015 14.963 2.901 196 HB ILE 26 HB ILE 26 67.652 12.125 3.731 197 HG12 ILE 26 HG12 ILE 26 67.270 13.754 5.959 198 HG13 ILE 26 HG11 ILE 26 66.113 14.387 4.783 199 HG21 ILE 26 HG21 ILE 26 69.380 13.021 5.227 200 HG22 ILE 26 HG22 ILE 26 69.121 14.641 4.582 201 HG23 ILE 26 HG23 ILE 26 69.788 13.378 3.548 202 HD11 ILE 26 HD11 ILE 26 65.320 12.447 6.282 203 HD12 ILE 26 HD12 ILE 26 66.376 11.429 5.302 204 HD13 ILE 26 HD13 ILE 26 65.037 12.290 4.549 205 H PHE 27 HN PHE 27 68.174 12.052 1.116 206 HA PHE 27 HA PHE 27 70.541 13.629 0.211 207 HB2 PHE 27 HB2 PHE 27 70.492 10.970 -0.893 208 HB3 PHE 27 HB1 PHE 27 71.625 11.658 0.262 209 HD1 PHE 27 HD1 PHE 27 70.983 11.664 2.729 210 HD2 PHE 27 HD2 PHE 27 68.910 9.333 -0.228 211 HE1 PHE 27 HE1 PHE 27 70.069 10.210 4.515 212 HE2 PHE 27 HE2 PHE 27 67.992 7.882 1.563 213 HZ PHE 27 HZ PHE 27 68.569 8.321 3.933 214 H VAL 28 HN VAL 28 67.554 12.267 -1.050 215 HA VAL 28 HA VAL 28 68.157 12.453 -3.860 216 HB VAL 28 HB VAL 28 65.623 12.576 -2.197 217 HG11 VAL 28 HG11 VAL 28 65.911 12.396 -5.212 218 HG12 VAL 28 HG12 VAL 28 65.193 13.734 -4.314 219 HG13 VAL 28 HG13 VAL 28 64.405 12.157 -4.326 220 HG21 VAL 28 HG21 VAL 28 65.761 10.322 -2.232 221 HG22 VAL 28 HG22 VAL 28 67.365 10.487 -2.944 222 HG23 VAL 28 HG23 VAL 28 65.951 10.317 -3.984 223 H GLN 29 HN GLN 29 67.268 14.864 -1.445 224 HA GLN 29 HA GLN 29 66.275 16.941 -3.118 225 HB2 GLN 29 HB2 GLN 29 66.658 16.565 -0.471 226 HB3 GLN 29 HB1 GLN 29 68.043 17.609 -0.806 227 HG2 GLN 29 HG2 GLN 29 66.548 19.272 -1.845 228 HG3 GLN 29 HG1 GLN 29 65.161 18.232 -1.524 229 HE21 GLN 29 HE21 GLN 29 65.238 17.476 1.024 230 HE22 GLN 29 HE22 GLN 29 65.449 18.773 2.102 231 H GLY 30 HN GLY 30 69.641 16.205 -2.139 232 HA2 GLY 30 HA2 GLY 30 70.601 18.218 -4.124 233 HA3 GLY 30 HA1 GLY 30 71.566 17.558 -2.800 234 H ALA 31 HN ALA 31 69.579 15.856 -5.256 235 HA ALA 31 HA ALA 31 72.058 14.365 -6.058 236 HB1 ALA 31 HB1 ALA 31 70.433 12.497 -6.490 237 HB2 ALA 31 HB2 ALA 31 69.152 13.525 -5.846 238 HB3 ALA 31 HB3 ALA 31 70.476 13.006 -4.803 239 H GLU 32 HN GLU 32 72.061 13.597 -8.335 240 HA GLU 32 HA GLU 32 71.043 15.645 -10.185 241 HB2 GLU 32 HB2 GLU 32 72.703 13.123 -10.457 242 HB3 GLU 32 HB1 GLU 32 72.305 14.162 -11.825 243 HG2 GLU 32 HG2 GLU 32 73.410 16.059 -10.764 244 HG3 GLU 32 HG1 GLU 32 73.715 15.107 -9.311 245 H ASP 33 HN ASP 33 70.809 12.055 -10.172 246 HA ASP 33 HA ASP 33 68.177 12.334 -11.586 247 HB2 ASP 33 HB2 ASP 33 70.150 10.024 -11.483 248 HB3 ASP 33 HB1 ASP 33 68.705 10.107 -12.488 249 H GLY 34 HN GLY 34 68.695 12.366 -8.574 250 HA2 GLY 34 HA2 GLY 34 67.584 11.516 -6.682 251 HA3 GLY 34 HA1 GLY 34 66.507 10.667 -7.787 252 H SER 35 HN SER 35 70.032 10.262 -7.649 253 HA SER 35 HA SER 35 69.627 7.487 -6.573 254 HB2 SER 35 HB2 SER 35 69.968 7.768 -9.114 255 HB3 SER 35 HB1 SER 35 71.611 8.259 -8.717 256 HG SER 35 HG SER 35 70.319 5.800 -8.124 257 H ILE 36 HN ILE 36 71.335 6.732 -5.234 258 HA ILE 36 HA ILE 36 73.365 8.817 -4.484 259 HB ILE 36 HB ILE 36 72.181 6.550 -2.834 260 HG12 ILE 36 HG12 ILE 36 71.610 9.265 -1.959 261 HG13 ILE 36 HG11 ILE 36 71.011 8.991 -3.589 262 HG21 ILE 36 HG21 ILE 36 73.752 8.953 -1.869 263 HG22 ILE 36 HG22 ILE 36 74.541 7.437 -2.303 264 HG23 ILE 36 HG23 ILE 36 73.372 7.473 -0.986 265 HD11 ILE 36 HD11 ILE 36 70.215 7.687 -1.030 266 HD12 ILE 36 HD12 ILE 36 70.178 6.702 -2.494 267 HD13 ILE 36 HD13 ILE 36 69.215 8.177 -2.396 268 H SER 37 HN SER 37 75.540 8.125 -4.210 269 HA SER 37 HA SER 37 76.235 5.614 -5.635 270 HB2 SER 37 HB2 SER 37 77.218 8.057 -5.864 271 HB3 SER 37 HB1 SER 37 78.203 7.571 -4.488 272 HG SER 37 HG SER 37 79.201 7.060 -6.483 273 H THR 38 HN THR 38 78.198 4.389 -4.631 274 HA THR 38 HA THR 38 77.469 3.269 -2.100 275 HB THR 38 HB THR 38 79.789 2.270 -2.268 276 HG1 THR 38 HG1 THR 38 81.121 3.460 -3.354 277 HG21 THR 38 HG21 THR 38 79.335 1.302 -4.654 278 HG22 THR 38 HG22 THR 38 77.842 2.236 -4.565 279 HG23 THR 38 HG23 THR 38 78.171 0.980 -3.370 280 H LYS 39 HN LYS 39 79.876 5.772 -2.936 281 HA LYS 39 HA LYS 39 81.114 6.072 -0.394 282 HB2 LYS 39 HB2 LYS 39 81.483 7.131 -2.819 283 HB3 LYS 39 HB1 LYS 39 80.537 8.447 -2.126 284 HG2 LYS 39 HG2 LYS 39 82.103 8.638 -0.261 285 HG3 LYS 39 HG1 LYS 39 83.031 7.271 -0.869 286 HD2 LYS 39 HD2 LYS 39 84.037 8.513 -2.504 287 HD3 LYS 39 HD1 LYS 39 82.583 9.461 -2.816 288 HE2 LYS 39 HE2 LYS 39 84.035 9.857 -0.207 289 HE3 LYS 39 HE1 LYS 39 84.663 10.629 -1.678 290 HZ1 LYS 39 HZ1 LYS 39 81.792 10.760 -0.942 291 HZ2 LYS 39 HZ2 LYS 39 82.641 11.719 -2.059 292 HZ3 LYS 39 HZ3 LYS 39 82.905 11.913 -0.393 293 H GLU 40 HN GLU 40 78.117 7.478 -1.677 294 HA GLU 40 HA GLU 40 77.673 9.087 0.758 295 HB2 GLU 40 HB2 GLU 40 76.088 8.571 -1.783 296 HB3 GLU 40 HB1 GLU 40 75.606 9.716 -0.528 297 HG2 GLU 40 HG2 GLU 40 76.846 11.245 -1.646 298 HG3 GLU 40 HG1 GLU 40 78.260 10.391 -1.037 299 H LEU 41 HN LEU 41 76.638 6.010 -0.632 300 HA LEU 41 HA LEU 41 74.230 5.558 0.780 301 HB2 LEU 41 HB2 LEU 41 75.886 4.190 -0.958 302 HB3 LEU 41 HB1 LEU 41 75.979 3.223 0.510 303 HG LEU 41 HG LEU 41 74.109 2.473 -0.922 304 HD11 LEU 41 HD11 LEU 41 74.034 2.660 1.704 305 HD12 LEU 41 HD12 LEU 41 72.566 2.249 0.812 306 HD13 LEU 41 HD13 LEU 41 72.818 3.898 1.381 307 HD21 LEU 41 HD21 LEU 41 72.622 3.903 -1.877 308 HD22 LEU 41 HD22 LEU 41 73.828 5.138 -1.517 309 HD23 LEU 41 HD23 LEU 41 72.481 4.874 -0.411 310 H GLY 42 HN GLY 42 77.597 5.169 1.878 311 HA2 GLY 42 HA2 GLY 42 77.128 3.670 4.233 312 HA3 GLY 42 HA1 GLY 42 78.446 4.833 4.047 313 H LYS 43 HN LYS 43 77.043 7.201 3.730 314 HA LYS 43 HA LYS 43 76.314 7.894 6.442 315 HB2 LYS 43 HB2 LYS 43 77.322 9.407 4.738 316 HB3 LYS 43 HB1 LYS 43 75.837 9.308 3.789 317 HG2 LYS 43 HG2 LYS 43 75.630 11.323 5.029 318 HG3 LYS 43 HG1 LYS 43 74.628 10.160 5.891 319 HD2 LYS 43 HD2 LYS 43 76.969 9.717 7.150 320 HD3 LYS 43 HD1 LYS 43 77.209 11.406 6.703 321 HE2 LYS 43 HE2 LYS 43 74.756 11.711 7.656 322 HE3 LYS 43 HE1 LYS 43 75.133 10.213 8.533 323 HZ1 LYS 43 HZ1 LYS 43 75.980 11.890 9.902 324 HZ2 LYS 43 HZ2 LYS 43 76.582 12.795 8.594 325 HZ3 LYS 43 HZ3 LYS 43 77.343 11.350 9.051 326 H VAL 44 HN VAL 44 74.455 7.180 3.487 327 HA VAL 44 HA VAL 44 71.844 7.877 4.426 328 HB VAL 44 HB VAL 44 72.880 5.837 2.427 329 HG11 VAL 44 HG11 VAL 44 70.372 6.194 1.604 330 HG12 VAL 44 HG12 VAL 44 70.101 6.498 3.319 331 HG13 VAL 44 HG13 VAL 44 70.767 4.950 2.794 332 HG21 VAL 44 HG21 VAL 44 71.341 8.331 1.777 333 HG22 VAL 44 HG22 VAL 44 72.543 7.481 0.808 334 HG23 VAL 44 HG23 VAL 44 73.053 8.468 2.177 335 H MET 45 HN MET 45 73.608 4.761 4.524 336 HA MET 45 HA MET 45 71.521 3.303 5.875 337 HB2 MET 45 HB2 MET 45 74.505 2.953 5.514 338 HB3 MET 45 HB1 MET 45 73.518 1.764 6.365 339 HG2 MET 45 HG2 MET 45 72.411 2.616 3.771 340 HG3 MET 45 HG1 MET 45 73.942 1.759 3.658 341 HE1 MET 45 HE1 MET 45 70.303 1.812 4.378 342 HE2 MET 45 HE2 MET 45 70.799 1.564 6.052 343 HE3 MET 45 HE3 MET 45 69.921 0.292 5.209 344 H ARG 46 HN ARG 46 74.497 4.913 7.095 345 HA ARG 46 HA ARG 46 74.224 4.337 9.859 346 HB2 ARG 46 HB2 ARG 46 75.720 6.060 8.121 347 HB3 ARG 46 HB1 ARG 46 75.155 7.023 9.485 348 HG2 ARG 46 HG2 ARG 46 76.397 4.313 9.920 349 HG3 ARG 46 HG1 ARG 46 77.402 5.750 9.745 350 HD2 ARG 46 HD2 ARG 46 76.642 6.688 11.740 351 HD3 ARG 46 HD1 ARG 46 75.099 5.811 11.684 352 HE ARG 46 HE ARG 46 76.335 3.749 12.270 353 HH11 ARG 46 HH21 ARG 46 76.952 5.956 14.348 354 HH12 ARG 46 HH22 ARG 46 78.649 5.700 14.572 355 HH21 ARG 46 HH11 ARG 46 78.986 3.724 11.743 356 HH22 ARG 46 HH12 ARG 46 79.806 4.442 13.089 357 H MET 47 HN MET 47 72.660 6.834 7.876 358 HA MET 47 HA MET 47 71.338 8.153 10.128 359 HB2 MET 47 HB2 MET 47 72.072 9.034 7.784 360 HB3 MET 47 HB1 MET 47 70.551 8.338 7.225 361 HG2 MET 47 HG2 MET 47 69.342 9.659 8.952 362 HG3 MET 47 HG1 MET 47 70.871 10.410 9.417 363 HE1 MET 47 HE1 MET 47 67.744 11.083 7.439 364 HE2 MET 47 HE2 MET 47 68.401 9.595 6.765 365 HE3 MET 47 HE3 MET 47 68.278 11.034 5.753 366 H LEU 48 HN LEU 48 70.580 5.429 8.059 367 HA LEU 48 HA LEU 48 67.699 5.518 8.794 368 HB2 LEU 48 HB2 LEU 48 69.429 4.358 6.701 369 HB3 LEU 48 HB1 LEU 48 68.086 3.329 7.198 370 HG LEU 48 HG LEU 48 67.545 6.229 6.698 371 HD11 LEU 48 HD11 LEU 48 68.092 4.120 4.606 372 HD12 LEU 48 HD12 LEU 48 68.766 5.745 4.717 373 HD13 LEU 48 HD13 LEU 48 67.074 5.519 4.273 374 HD21 LEU 48 HD21 LEU 48 66.098 3.643 6.841 375 HD22 LEU 48 HD22 LEU 48 65.531 4.750 5.593 376 HD23 LEU 48 HD23 LEU 48 65.554 5.261 7.283 377 H GLY 49 HN GLY 49 69.935 4.793 10.753 378 HA2 GLY 49 HA2 GLY 49 70.020 3.338 12.600 379 HA3 GLY 49 HA1 GLY 49 68.595 2.517 11.969 380 H GLN 50 HN GLN 50 71.251 2.825 9.769 381 HA GLN 50 HA GLN 50 71.791 -0.096 10.075 382 HB2 GLN 50 HB2 GLN 50 71.302 1.727 7.911 383 HB3 GLN 50 HB1 GLN 50 72.910 1.036 7.717 384 HG2 GLN 50 HG2 GLN 50 70.292 -0.448 7.980 385 HG3 GLN 50 HG1 GLN 50 71.386 -0.423 6.594 386 HE21 GLN 50 HE21 GLN 50 70.529 -2.297 9.275 387 HE22 GLN 50 HE22 GLN 50 71.950 -3.218 9.404 388 H ASN 51 HN ASN 51 73.984 -0.826 10.039 389 HA ASN 51 HA ASN 51 76.109 1.253 10.327 390 HB2 ASN 51 HB2 ASN 51 75.004 0.318 12.508 391 HB3 ASN 51 HB1 ASN 51 75.942 -1.134 12.164 392 HD21 ASN 51 HD21 ASN 51 78.054 -1.125 12.938 393 HD22 ASN 51 HD22 ASN 51 78.912 0.267 13.391 394 HA PRO 52 HA PRO 52 77.283 -2.572 7.873 395 HB2 PRO 52 HB2 PRO 52 77.124 -1.588 5.336 396 HB3 PRO 52 HB1 PRO 52 75.746 -2.337 6.165 397 HG2 PRO 52 HG2 PRO 52 76.305 0.520 5.646 398 HG3 PRO 52 HG1 PRO 52 74.758 -0.328 5.767 399 HD2 PRO 52 HD2 PRO 52 75.916 1.257 7.747 400 HD3 PRO 52 HD1 PRO 52 74.585 0.103 7.970 401 H THR 53 HN THR 53 79.391 -2.855 6.910 402 HA THR 53 HA THR 53 81.241 -0.566 7.309 403 HB THR 53 HB THR 53 82.943 -2.337 7.101 404 HG1 THR 53 HG1 THR 53 82.238 -4.457 6.671 405 HG21 THR 53 HG21 THR 53 81.103 -3.901 8.716 406 HG22 THR 53 HG22 THR 53 80.953 -2.179 9.069 407 HG23 THR 53 HG23 THR 53 82.518 -2.979 9.216 408 HA PRO 54 HA PRO 54 81.724 0.373 3.047 409 HB2 PRO 54 HB2 PRO 54 84.439 0.581 2.715 410 HB3 PRO 54 HB1 PRO 54 83.454 1.800 3.559 411 HG2 PRO 54 HG2 PRO 54 85.131 -0.390 4.688 412 HG3 PRO 54 HG1 PRO 54 84.940 1.282 5.241 413 HD2 PRO 54 HD2 PRO 54 83.690 -0.803 6.433 414 HD3 PRO 54 HD1 PRO 54 82.978 0.824 6.363 415 H GLU 55 HN GLU 55 83.909 -2.281 4.083 416 HA GLU 55 HA GLU 55 84.256 -3.352 1.404 417 HB2 GLU 55 HB2 GLU 55 85.213 -5.283 2.649 418 HB3 GLU 55 HB1 GLU 55 85.838 -3.745 3.237 419 HG2 GLU 55 HG2 GLU 55 83.435 -4.404 4.690 420 HG3 GLU 55 HG1 GLU 55 84.551 -5.767 4.744 421 H GLU 56 HN GLU 56 81.824 -3.783 3.908 422 HA GLU 56 HA GLU 56 80.598 -6.097 2.526 423 HB2 GLU 56 HB2 GLU 56 80.150 -4.568 5.090 424 HB3 GLU 56 HB1 GLU 56 78.984 -5.760 4.534 425 HG2 GLU 56 HG2 GLU 56 80.762 -7.470 4.450 426 HG3 GLU 56 HG1 GLU 56 81.936 -6.277 5.003 427 H LEU 57 HN LEU 57 79.920 -2.663 3.220 428 HA LEU 57 HA LEU 57 77.279 -2.490 2.159 429 HB2 LEU 57 HB2 LEU 57 78.410 -0.761 3.506 430 HB3 LEU 57 HB1 LEU 57 79.557 -0.474 2.200 431 HG LEU 57 HG LEU 57 77.493 0.055 0.743 432 HD11 LEU 57 HD11 LEU 57 75.974 -0.927 2.646 433 HD12 LEU 57 HD12 LEU 57 75.440 0.513 1.784 434 HD13 LEU 57 HD13 LEU 57 76.174 0.663 3.383 435 HD21 LEU 57 HD21 LEU 57 77.479 2.370 1.536 436 HD22 LEU 57 HD22 LEU 57 79.114 1.726 1.656 437 HD23 LEU 57 HD23 LEU 57 78.113 1.864 3.104 438 H GLN 58 HN GLN 58 80.461 -2.354 0.515 439 HA GLN 58 HA GLN 58 79.658 -1.511 -2.071 440 HB2 GLN 58 HB2 GLN 58 81.974 -2.111 -0.987 441 HB3 GLN 58 HB1 GLN 58 81.654 -3.731 -1.605 442 HG2 GLN 58 HG2 GLN 58 82.515 -3.013 -3.562 443 HG3 GLN 58 HG1 GLN 58 81.036 -2.071 -3.757 444 HE21 GLN 58 HE21 GLN 58 81.140 0.142 -2.432 445 HE22 GLN 58 HE22 GLN 58 82.607 0.983 -2.547 446 H GLU 59 HN GLU 59 79.824 -4.869 -0.783 447 HA GLU 59 HA GLU 59 78.571 -6.075 -3.113 448 HB2 GLU 59 HB2 GLU 59 80.059 -7.255 -1.500 449 HB3 GLU 59 HB1 GLU 59 78.851 -7.030 -0.234 450 HG2 GLU 59 HG2 GLU 59 77.228 -8.202 -1.913 451 HG3 GLU 59 HG1 GLU 59 78.702 -8.766 -2.692 452 H MET 60 HN MET 60 77.404 -4.985 0.084 453 HA MET 60 HA MET 60 74.727 -5.900 -0.002 454 HB2 MET 60 HB2 MET 60 76.363 -3.946 1.403 455 HB3 MET 60 HB1 MET 60 74.721 -3.355 1.178 456 HG2 MET 60 HG2 MET 60 74.143 -5.865 1.926 457 HG3 MET 60 HG1 MET 60 75.688 -5.684 2.758 458 HE1 MET 60 HE1 MET 60 71.991 -3.046 3.076 459 HE2 MET 60 HE2 MET 60 72.608 -3.971 1.703 460 HE3 MET 60 HE3 MET 60 73.339 -2.422 2.125 461 H ILE 61 HN ILE 61 76.117 -2.875 -1.302 462 HA ILE 61 HA ILE 61 73.611 -1.866 -2.363 463 HB ILE 61 HB ILE 61 76.543 -1.256 -2.518 464 HG12 ILE 61 HG12 ILE 61 74.160 0.533 -1.988 465 HG13 ILE 61 HG11 ILE 61 74.940 -0.428 -0.728 466 HG21 ILE 61 HG21 ILE 61 74.468 -0.374 -4.504 467 HG22 ILE 61 HG22 ILE 61 76.157 -0.799 -4.777 468 HG23 ILE 61 HG23 ILE 61 75.744 0.749 -4.037 469 HD11 ILE 61 HD11 ILE 61 76.171 1.778 -2.391 470 HD12 ILE 61 HD12 ILE 61 77.127 0.682 -1.395 471 HD13 ILE 61 HD13 ILE 61 75.941 1.751 -0.642 472 H ASP 62 HN ASP 62 76.377 -3.649 -3.774 473 HA ASP 62 HA ASP 62 75.432 -3.657 -6.488 474 HB2 ASP 62 HB2 ASP 62 77.544 -4.788 -4.848 475 HB3 ASP 62 HB1 ASP 62 76.950 -5.984 -5.997 476 H GLU 63 HN GLU 63 74.710 -5.759 -3.704 477 HA GLU 63 HA GLU 63 73.547 -7.969 -5.099 478 HB2 GLU 63 HB2 GLU 63 73.582 -6.813 -2.389 479 HB3 GLU 63 HB1 GLU 63 72.114 -7.720 -2.740 480 HG2 GLU 63 HG2 GLU 63 74.903 -8.803 -3.241 481 HG3 GLU 63 HG1 GLU 63 73.998 -9.102 -1.759 482 H VAL 64 HN VAL 64 71.900 -5.092 -3.686 483 HA VAL 64 HA VAL 64 69.341 -5.762 -4.907 484 HB VAL 64 HB VAL 64 68.653 -3.580 -4.030 485 HG11 VAL 64 HG11 VAL 64 70.630 -4.767 -2.070 486 HG12 VAL 64 HG12 VAL 64 69.095 -5.540 -2.464 487 HG13 VAL 64 HG13 VAL 64 69.110 -3.947 -1.709 488 HG21 VAL 64 HG21 VAL 64 71.631 -3.127 -3.718 489 HG22 VAL 64 HG22 VAL 64 70.415 -2.143 -2.904 490 HG23 VAL 64 HG23 VAL 64 70.491 -2.167 -4.663 491 H ASP 65 HN ASP 65 72.166 -3.980 -5.982 492 HA ASP 65 HA ASP 65 70.898 -2.434 -8.075 493 HB2 ASP 65 HB2 ASP 65 73.243 -2.292 -6.866 494 HB3 ASP 65 HB1 ASP 65 73.753 -3.403 -8.134 495 H GLU 66 HN GLU 66 69.549 -3.945 -9.261 496 HA GLU 66 HA GLU 66 70.643 -6.385 -10.416 497 HB2 GLU 66 HB2 GLU 66 68.121 -4.910 -10.239 498 HB3 GLU 66 HB1 GLU 66 68.334 -5.689 -11.806 499 HG2 GLU 66 HG2 GLU 66 68.329 -7.818 -10.904 500 HG3 GLU 66 HG1 GLU 66 69.009 -7.281 -9.365 501 H ASP 67 HN ASP 67 70.154 -3.056 -11.589 502 HA ASP 67 HA ASP 67 70.774 -3.644 -14.360 503 HB2 ASP 67 HB2 ASP 67 70.967 -1.143 -14.473 504 HB3 ASP 67 HB1 ASP 67 69.485 -1.690 -13.695 505 H GLY 68 HN GLY 68 72.769 -3.111 -11.524 506 HA2 GLY 68 HA2 GLY 68 75.097 -3.400 -11.303 507 HA3 GLY 68 HA1 GLY 68 75.168 -3.792 -13.017 508 H SER 69 HN SER 69 74.467 -0.889 -11.003 509 HA SER 69 HA SER 69 76.206 0.676 -12.904 510 HB2 SER 69 HB2 SER 69 74.704 2.527 -12.559 511 HB3 SER 69 HB1 SER 69 73.701 1.118 -12.877 512 HG SER 69 HG SER 69 73.759 2.705 -10.719 513 H GLY 70 HN GLY 70 75.503 -0.067 -9.528 514 HA2 GLY 70 HA2 GLY 70 77.193 0.172 -7.801 515 HA3 GLY 70 HA1 GLY 70 77.929 1.468 -8.748 516 H THR 71 HN THR 71 74.907 2.355 -9.124 517 HA THR 71 HA THR 71 74.844 4.004 -6.627 518 HB THR 71 HB THR 71 73.544 5.563 -8.054 519 HG1 THR 71 HG1 THR 71 72.641 4.782 -9.761 520 HG21 THR 71 HG21 THR 71 76.140 5.382 -8.048 521 HG22 THR 71 HG22 THR 71 75.366 6.342 -9.311 522 HG23 THR 71 HG23 THR 71 75.931 4.709 -9.664 523 H VAL 72 HN VAL 72 73.047 3.891 -5.322 524 HA VAL 72 HA VAL 72 70.969 1.869 -6.020 525 HB VAL 72 HB VAL 72 71.768 3.250 -3.435 526 HG11 VAL 72 HG11 VAL 72 70.356 0.782 -3.062 527 HG12 VAL 72 HG12 VAL 72 69.397 1.817 -4.120 528 HG13 VAL 72 HG13 VAL 72 69.891 2.398 -2.530 529 HG21 VAL 72 HG21 VAL 72 73.537 1.805 -3.936 530 HG22 VAL 72 HG22 VAL 72 72.492 0.651 -4.762 531 HG23 VAL 72 HG23 VAL 72 72.473 0.754 -3.000 532 H ASP 73 HN ASP 73 68.873 2.464 -6.375 533 HA ASP 73 HA ASP 73 68.143 5.347 -6.026 534 HB2 ASP 73 HB2 ASP 73 66.881 5.109 -7.986 535 HB3 ASP 73 HB1 ASP 73 68.214 4.000 -8.300 536 H PHE 74 HN PHE 74 65.387 5.127 -6.072 537 HA PHE 74 HA PHE 74 64.731 4.396 -3.391 538 HB2 PHE 74 HB2 PHE 74 63.563 6.009 -4.932 539 HB3 PHE 74 HB1 PHE 74 62.891 4.628 -5.794 540 HD1 PHE 74 HD1 PHE 74 63.318 5.744 -2.220 541 HD2 PHE 74 HD2 PHE 74 60.743 3.992 -5.182 542 HE1 PHE 74 HE1 PHE 74 61.507 5.570 -0.538 543 HE2 PHE 74 HE2 PHE 74 58.930 3.823 -3.498 544 HZ PHE 74 HZ PHE 74 59.313 4.606 -1.177 545 H ASP 75 HN ASP 75 64.088 2.638 -6.464 546 HA ASP 75 HA ASP 75 62.709 0.399 -5.370 547 HB2 ASP 75 HB2 ASP 75 63.920 1.256 -7.848 548 HB3 ASP 75 HB1 ASP 75 64.296 -0.442 -7.570 549 H GLU 76 HN GLU 76 66.212 0.723 -6.104 550 HA GLU 76 HA GLU 76 67.017 -1.831 -5.076 551 HB2 GLU 76 HB2 GLU 76 68.238 0.792 -5.782 552 HB3 GLU 76 HB1 GLU 76 69.220 -0.297 -4.798 553 HG2 GLU 76 HG2 GLU 76 69.234 -1.975 -6.444 554 HG3 GLU 76 HG1 GLU 76 67.817 -1.317 -7.263 555 H PHE 77 HN PHE 77 66.718 1.353 -3.497 556 HA PHE 77 HA PHE 77 67.880 0.691 -0.969 557 HB2 PHE 77 HB2 PHE 77 67.478 2.975 -1.644 558 HB3 PHE 77 HB1 PHE 77 65.757 2.661 -1.872 559 HD1 PHE 77 HD1 PHE 77 68.343 2.230 0.836 560 HD2 PHE 77 HD2 PHE 77 64.344 3.417 -0.198 561 HE1 PHE 77 HE1 PHE 77 67.905 2.833 3.197 562 HE2 PHE 77 HE2 PHE 77 63.909 4.019 2.168 563 HZ PHE 77 HZ PHE 77 65.690 3.729 3.867 564 H LEU 78 HN LEU 78 64.505 0.427 -2.141 565 HA LEU 78 HA LEU 78 63.274 -0.418 0.293 566 HB2 LEU 78 HB2 LEU 78 62.756 -0.422 -2.609 567 HB3 LEU 78 HB1 LEU 78 61.935 -1.722 -1.745 568 HG LEU 78 HG LEU 78 61.865 1.123 -0.733 569 HD11 LEU 78 HD11 LEU 78 60.994 0.798 -3.163 570 HD12 LEU 78 HD12 LEU 78 59.932 1.594 -2.000 571 HD13 LEU 78 HD13 LEU 78 59.680 -0.103 -2.407 572 HD21 LEU 78 HD21 LEU 78 61.136 -0.410 0.906 573 HD22 LEU 78 HD22 LEU 78 60.321 -1.425 -0.283 574 HD23 LEU 78 HD23 LEU 78 59.639 0.141 0.153 575 H VAL 79 HN VAL 79 64.836 -2.340 -2.297 576 HA VAL 79 HA VAL 79 64.367 -4.899 -0.970 577 HB VAL 79 HB VAL 79 66.281 -4.066 -3.179 578 HG11 VAL 79 HG11 VAL 79 67.035 -6.183 -2.830 579 HG12 VAL 79 HG12 VAL 79 65.560 -6.655 -3.669 580 HG13 VAL 79 HG13 VAL 79 65.608 -6.645 -1.904 581 HG21 VAL 79 HG21 VAL 79 63.391 -4.969 -3.175 582 HG22 VAL 79 HG22 VAL 79 64.409 -5.119 -4.608 583 HG23 VAL 79 HG23 VAL 79 64.080 -3.529 -3.925 584 H MET 80 HN MET 80 66.764 -2.391 -0.681 585 HA MET 80 HA MET 80 68.914 -4.063 0.372 586 HB2 MET 80 HB2 MET 80 69.149 -1.851 -0.814 587 HB3 MET 80 HB1 MET 80 68.429 -1.071 0.593 588 HG2 MET 80 HG2 MET 80 70.387 -1.122 1.707 589 HG3 MET 80 HG1 MET 80 70.576 -2.848 1.400 590 HE1 MET 80 HE1 MET 80 72.843 0.490 0.219 591 HE2 MET 80 HE2 MET 80 73.626 -0.910 0.942 592 HE3 MET 80 HE3 MET 80 72.170 -0.242 1.680 593 H MET 81 HN MET 81 66.376 -1.988 1.808 594 HA MET 81 HA MET 81 67.337 -2.210 4.524 595 HB2 MET 81 HB2 MET 81 64.681 -1.510 3.244 596 HB3 MET 81 HB1 MET 81 64.950 -1.412 4.984 597 HG2 MET 81 HG2 MET 81 66.369 0.138 2.806 598 HG3 MET 81 HG1 MET 81 65.384 0.780 4.119 599 HE1 MET 81 HE1 MET 81 65.898 0.874 6.440 600 HE2 MET 81 HE2 MET 81 66.808 2.223 5.765 601 HE3 MET 81 HE3 MET 81 67.533 1.218 7.018 602 H VAL 82 HN VAL 82 64.804 -4.006 2.726 603 HA VAL 82 HA VAL 82 63.809 -5.588 4.845 604 HB VAL 82 HB VAL 82 63.234 -7.208 3.001 605 HG11 VAL 82 HG11 VAL 82 62.748 -4.275 2.400 606 HG12 VAL 82 HG12 VAL 82 61.783 -5.281 3.478 607 HG13 VAL 82 HG13 VAL 82 61.815 -5.622 1.748 608 HG21 VAL 82 HG21 VAL 82 65.408 -6.657 1.726 609 HG22 VAL 82 HG22 VAL 82 64.549 -5.235 1.138 610 HG23 VAL 82 HG23 VAL 82 63.937 -6.847 0.773 611 H ARG 83 HN ARG 83 66.835 -5.982 3.032 612 HA ARG 83 HA ARG 83 67.391 -8.679 3.968 613 HB2 ARG 83 HB2 ARG 83 68.840 -6.439 2.591 614 HB3 ARG 83 HB1 ARG 83 69.770 -7.810 3.196 615 HG2 ARG 83 HG2 ARG 83 68.736 -9.324 1.759 616 HG3 ARG 83 HG1 ARG 83 67.290 -8.324 1.588 617 HD2 ARG 83 HD2 ARG 83 68.504 -6.714 0.207 618 HD3 ARG 83 HD1 ARG 83 70.020 -7.606 0.455 619 HE ARG 83 HE ARG 83 67.640 -8.772 -0.952 620 HH11 ARG 83 HH11 ARG 83 70.551 -9.732 0.298 621 HH12 ARG 83 HH12 ARG 83 71.236 -10.288 -1.191 622 HH21 ARG 83 HH21 ARG 83 68.692 -9.002 -3.150 623 HH22 ARG 83 HH22 ARG 83 70.178 -9.894 -3.134 624 H SER 84 HN SER 84 68.194 -5.418 5.131 625 HA SER 84 HA SER 84 69.881 -6.500 7.323 626 HB2 SER 84 HB2 SER 84 70.662 -4.306 7.463 627 HB3 SER 84 HB1 SER 84 70.190 -4.388 5.767 628 HG SER 84 HG SER 84 68.296 -3.333 6.264 629 H MET 85 HN MET 85 66.580 -5.623 6.844 630 HA MET 85 HA MET 85 66.076 -4.760 9.615 631 HB2 MET 85 HB2 MET 85 64.968 -3.960 7.456 632 HB3 MET 85 HB1 MET 85 64.118 -5.505 7.429 633 HG2 MET 85 HG2 MET 85 63.961 -4.243 10.055 634 HG3 MET 85 HG1 MET 85 63.306 -3.201 8.788 635 HE1 MET 85 HE1 MET 85 60.565 -5.173 7.111 636 HE2 MET 85 HE2 MET 85 62.252 -5.192 6.595 637 HE3 MET 85 HE3 MET 85 61.544 -3.705 7.219 638 H LYS 86 HN LYS 86 66.318 -7.838 8.076 639 HA LYS 86 HA LYS 86 64.381 -9.081 9.978 640 HB2 LYS 86 HB2 LYS 86 64.609 -9.435 7.388 641 HB3 LYS 86 HB1 LYS 86 65.924 -10.521 7.837 642 HG2 LYS 86 HG2 LYS 86 63.389 -10.823 9.366 643 HG3 LYS 86 HG1 LYS 86 63.344 -11.324 7.676 644 HD2 LYS 86 HD2 LYS 86 64.692 -13.124 8.041 645 HD3 LYS 86 HD1 LYS 86 65.746 -12.227 9.136 646 HE2 LYS 86 HE2 LYS 86 64.099 -12.464 10.956 647 HE3 LYS 86 HE1 LYS 86 62.999 -13.322 9.863 648 HZ1 LYS 86 HZ1 LYS 86 64.917 -14.870 9.406 649 HZ2 LYS 86 HZ2 LYS 86 64.252 -14.982 10.966 650 HZ3 LYS 86 HZ3 LYS 86 65.717 -14.160 10.726 651 H ASP 87 HN ASP 87 65.017 -10.320 11.663 652 HA ASP 87 HA ASP 87 66.358 -11.509 13.185 653 HB2 ASP 87 HB2 ASP 87 66.974 -12.391 10.690 654 HB3 ASP 87 HB1 ASP 87 68.556 -11.835 11.228 655 H ASP 88 HN ASP 88 67.150 -10.201 14.760 656 HA ASP 88 HA ASP 88 68.516 -8.630 15.881 657 HB2 ASP 88 HB2 ASP 88 69.882 -10.798 14.828 658 HB3 ASP 88 HB1 ASP 88 70.870 -9.433 14.321 659 H SER 89 HN SER 89 70.982 -7.475 14.844 660 HA SER 89 HA SER 89 71.753 -5.567 13.726 661 HB2 SER 89 HB2 SER 89 69.866 -6.921 11.827 662 HB3 SER 89 HB1 SER 89 70.509 -5.340 11.393 663 HG SER 89 HG SER 89 71.698 -7.671 11.177 Start of MODEL 13 1 H1 MET 1 HT1 MET 1 66.987 -11.135 -5.937 2 H2 MET 1 HT2 MET 1 66.377 -11.954 -4.576 3 H3 MET 1 HT3 MET 1 65.404 -11.719 -5.950 4 HA MET 1 HA MET 1 67.323 -13.045 -7.138 5 HB2 MET 1 HB2 MET 1 68.538 -12.897 -4.867 6 HB3 MET 1 HB1 MET 1 67.407 -14.134 -4.314 7 HG2 MET 1 HG2 MET 1 68.809 -14.636 -6.900 8 HG3 MET 1 HG1 MET 1 69.773 -14.757 -5.428 9 HE1 MET 1 HE1 MET 1 67.469 -16.427 -7.826 10 HE2 MET 1 HE2 MET 1 67.705 -18.064 -7.226 11 HE3 MET 1 HE3 MET 1 69.105 -17.048 -7.573 12 H ASP 2 HN ASP 2 65.364 -14.265 -4.350 13 HA ASP 2 HA ASP 2 63.904 -15.983 -6.321 14 HB2 ASP 2 HB2 ASP 2 63.627 -17.532 -4.463 15 HB3 ASP 2 HB1 ASP 2 65.321 -17.062 -4.561 16 H ASP 3 HN ASP 3 61.837 -16.630 -4.264 17 HA ASP 3 HA ASP 3 59.979 -14.478 -4.909 18 HB2 ASP 3 HB2 ASP 3 59.649 -17.048 -4.695 19 HB3 ASP 3 HB1 ASP 3 59.490 -16.729 -2.969 20 H ILE 4 HN ILE 4 61.638 -15.498 -1.887 21 HA ILE 4 HA ILE 4 60.117 -13.900 -0.084 22 HB ILE 4 HB ILE 4 62.022 -14.166 1.415 23 HG12 ILE 4 HG12 ILE 4 63.926 -15.526 -0.181 24 HG13 ILE 4 HG11 ILE 4 63.514 -14.051 -1.050 25 HG21 ILE 4 HG21 ILE 4 62.298 -16.700 -0.086 26 HG22 ILE 4 HG22 ILE 4 60.640 -16.222 0.283 27 HG23 ILE 4 HG23 ILE 4 61.810 -16.424 1.585 28 HD11 ILE 4 HD11 ILE 4 63.827 -13.581 1.813 29 HD12 ILE 4 HD12 ILE 4 64.592 -12.756 0.455 30 HD13 ILE 4 HD13 ILE 4 65.288 -14.249 1.087 31 H TYR 5 HN TYR 5 62.682 -12.943 -2.330 32 HA TYR 5 HA TYR 5 63.224 -10.338 -1.173 33 HB2 TYR 5 HB2 TYR 5 63.716 -11.808 -3.731 34 HB3 TYR 5 HB1 TYR 5 63.929 -10.055 -3.742 35 HD1 TYR 5 HD2 TYR 5 64.967 -13.182 -1.991 36 HD2 TYR 5 HD1 TYR 5 65.853 -9.045 -2.737 37 HE1 TYR 5 HE2 TYR 5 67.166 -13.453 -0.879 38 HE2 TYR 5 HE1 TYR 5 68.055 -9.321 -1.622 39 HH TYR 5 HH TYR 5 69.647 -11.614 -1.254 40 H LYS 6 HN LYS 6 60.998 -11.504 -3.697 41 HA LYS 6 HA LYS 6 59.910 -8.830 -4.252 42 HB2 LYS 6 HB2 LYS 6 59.691 -10.093 -6.149 43 HB3 LYS 6 HB1 LYS 6 59.766 -11.603 -5.262 44 HG2 LYS 6 HG2 LYS 6 57.256 -10.103 -4.840 45 HG3 LYS 6 HG1 LYS 6 57.518 -10.619 -6.506 46 HD2 LYS 6 HD2 LYS 6 57.943 -12.931 -5.721 47 HD3 LYS 6 HD1 LYS 6 57.631 -12.420 -4.065 48 HE2 LYS 6 HE2 LYS 6 55.366 -11.503 -5.266 49 HE3 LYS 6 HE1 LYS 6 55.713 -12.918 -6.278 50 HZ1 LYS 6 HZ1 LYS 6 55.640 -12.897 -3.303 51 HZ2 LYS 6 HZ2 LYS 6 55.991 -14.249 -4.273 52 HZ3 LYS 6 HZ3 LYS 6 54.443 -13.550 -4.308 53 H ALA 7 HN ALA 7 58.957 -11.710 -2.393 54 HA ALA 7 HA ALA 7 56.286 -11.120 -1.725 55 HB1 ALA 7 HB1 ALA 7 58.076 -12.164 0.415 56 HB2 ALA 7 HB2 ALA 7 58.122 -13.025 -1.123 57 HB3 ALA 7 HB3 ALA 7 56.600 -12.861 -0.252 58 H ALA 8 HN ALA 8 59.270 -9.787 -0.319 59 HA ALA 8 HA ALA 8 58.354 -8.506 2.001 60 HB1 ALA 8 HB1 ALA 8 60.361 -7.838 -0.149 61 HB2 ALA 8 HB2 ALA 8 60.655 -8.382 1.502 62 HB3 ALA 8 HB3 ALA 8 60.114 -6.730 1.201 63 H VAL 9 HN VAL 9 58.161 -7.309 -1.365 64 HA VAL 9 HA VAL 9 57.000 -4.767 -0.858 65 HB VAL 9 HB VAL 9 56.808 -6.749 -3.148 66 HG11 VAL 9 HG11 VAL 9 55.813 -3.893 -2.958 67 HG12 VAL 9 HG12 VAL 9 54.889 -5.329 -3.406 68 HG13 VAL 9 HG13 VAL 9 56.127 -4.703 -4.494 69 HG21 VAL 9 HG21 VAL 9 58.448 -5.200 -4.177 70 HG22 VAL 9 HG22 VAL 9 59.046 -5.838 -2.647 71 HG23 VAL 9 HG23 VAL 9 58.405 -4.196 -2.728 72 H GLU 10 HN GLU 10 55.438 -7.952 -1.273 73 HA GLU 10 HA GLU 10 52.713 -7.044 -1.235 74 HB2 GLU 10 HB2 GLU 10 54.197 -9.600 -0.654 75 HB3 GLU 10 HB1 GLU 10 52.450 -9.518 -0.418 76 HG2 GLU 10 HG2 GLU 10 52.070 -9.638 -2.639 77 HG3 GLU 10 HG1 GLU 10 53.217 -8.341 -2.965 78 H GLN 11 HN GLN 11 54.988 -7.911 1.356 79 HA GLN 11 HA GLN 11 52.939 -7.635 3.459 80 HB2 GLN 11 HB2 GLN 11 55.896 -8.250 3.341 81 HB3 GLN 11 HB1 GLN 11 55.054 -8.049 4.876 82 HG2 GLN 11 HG2 GLN 11 54.354 -10.185 4.736 83 HG3 GLN 11 HG1 GLN 11 53.438 -9.759 3.293 84 HE21 GLN 11 HE21 GLN 11 56.973 -10.174 3.966 85 HE22 GLN 11 HE22 GLN 11 57.240 -11.209 2.648 86 H LEU 12 HN LEU 12 55.282 -5.578 1.888 87 HA LEU 12 HA LEU 12 55.826 -3.709 3.987 88 HB2 LEU 12 HB2 LEU 12 55.829 -3.717 0.982 89 HB3 LEU 12 HB1 LEU 12 56.096 -2.197 1.829 90 HG LEU 12 HG LEU 12 57.673 -4.728 2.395 91 HD11 LEU 12 HD11 LEU 12 58.803 -4.336 0.492 92 HD12 LEU 12 HD12 LEU 12 59.322 -2.798 1.181 93 HD13 LEU 12 HD13 LEU 12 57.871 -2.873 0.180 94 HD21 LEU 12 HD21 LEU 12 57.399 -2.665 4.049 95 HD22 LEU 12 HD22 LEU 12 58.583 -1.926 2.971 96 HD23 LEU 12 HD23 LEU 12 58.974 -3.422 3.816 97 H THR 13 HN THR 13 54.557 -2.125 4.878 98 HA THR 13 HA THR 13 51.777 -1.775 3.885 99 HB THR 13 HB THR 13 51.677 -0.467 6.105 100 HG1 THR 13 HG1 THR 13 53.440 -0.361 7.252 101 HG21 THR 13 HG21 THR 13 52.517 -3.378 6.146 102 HG22 THR 13 HG22 THR 13 50.879 -2.788 5.864 103 HG23 THR 13 HG23 THR 13 51.651 -2.545 7.433 104 H GLU 14 HN GLU 14 50.919 0.558 4.082 105 HA GLU 14 HA GLU 14 52.304 2.239 2.196 106 HB2 GLU 14 HB2 GLU 14 49.842 2.255 3.858 107 HB3 GLU 14 HB1 GLU 14 50.405 3.831 3.304 108 HG2 GLU 14 HG2 GLU 14 49.983 1.438 1.484 109 HG3 GLU 14 HG1 GLU 14 48.804 2.728 1.711 110 H GLU 15 HN GLU 15 51.894 2.483 5.753 111 HA GLU 15 HA GLU 15 53.137 5.030 6.107 112 HB2 GLU 15 HB2 GLU 15 53.363 4.273 8.444 113 HB3 GLU 15 HB1 GLU 15 51.789 3.802 7.792 114 HG2 GLU 15 HG2 GLU 15 53.709 1.726 7.228 115 HG3 GLU 15 HG1 GLU 15 53.764 2.113 8.942 116 H GLN 16 HN GLN 16 54.525 1.835 5.569 117 HA GLN 16 HA GLN 16 57.244 2.661 6.355 118 HB2 GLN 16 HB2 GLN 16 56.104 0.191 4.980 119 HB3 GLN 16 HB1 GLN 16 57.766 0.339 5.547 120 HG2 GLN 16 HG2 GLN 16 55.480 0.852 7.435 121 HG3 GLN 16 HG1 GLN 16 55.997 -0.802 7.108 122 HE21 GLN 16 HE21 GLN 16 57.642 -1.540 8.468 123 HE22 GLN 16 HE22 GLN 16 58.748 -0.546 9.287 124 H LYS 17 HN LYS 17 55.421 1.962 3.369 125 HA LYS 17 HA LYS 17 57.501 2.369 1.459 126 HB2 LYS 17 HB2 LYS 17 54.898 1.632 1.416 127 HB3 LYS 17 HB1 LYS 17 54.723 3.302 0.875 128 HG2 LYS 17 HG2 LYS 17 56.151 2.948 -1.000 129 HG3 LYS 17 HG1 LYS 17 56.730 1.412 -0.356 130 HD2 LYS 17 HD2 LYS 17 55.153 0.459 -1.674 131 HD3 LYS 17 HD1 LYS 17 54.001 1.009 -0.461 132 HE2 LYS 17 HE2 LYS 17 54.133 3.281 -1.844 133 HE3 LYS 17 HE1 LYS 17 54.614 2.177 -3.152 134 HZ1 LYS 17 HZ1 LYS 17 52.682 0.766 -2.524 135 HZ2 LYS 17 HZ2 LYS 17 52.228 2.295 -3.110 136 HZ3 LYS 17 HZ3 LYS 17 52.184 1.977 -1.442 137 H ASN 18 HN ASN 18 55.215 4.688 2.956 138 HA ASN 18 HA ASN 18 56.102 7.029 1.524 139 HB2 ASN 18 HB2 ASN 18 54.269 7.762 2.637 140 HB3 ASN 18 HB1 ASN 18 54.242 6.275 3.577 141 HD21 ASN 18 HD21 ASN 18 54.865 6.407 5.782 142 HD22 ASN 18 HD22 ASN 18 55.435 7.829 6.514 143 H GLU 19 HN GLU 19 57.155 5.544 4.608 144 HA GLU 19 HA GLU 19 59.031 7.583 5.388 145 HB2 GLU 19 HB2 GLU 19 58.514 4.684 5.962 146 HB3 GLU 19 HB1 GLU 19 60.029 5.384 6.531 147 HG2 GLU 19 HG2 GLU 19 57.905 7.216 7.131 148 HG3 GLU 19 HG1 GLU 19 57.436 5.610 7.697 149 H PHE 20 HN PHE 20 59.409 4.609 3.438 150 HA PHE 20 HA PHE 20 62.222 4.664 3.031 151 HB2 PHE 20 HB2 PHE 20 59.792 3.523 1.770 152 HB3 PHE 20 HB1 PHE 20 61.182 3.658 0.696 153 HD1 PHE 20 HD2 PHE 20 59.902 2.139 3.814 154 HD2 PHE 20 HD1 PHE 20 63.197 2.362 1.066 155 HE1 PHE 20 HE2 PHE 20 60.915 0.139 4.865 156 HE2 PHE 20 HE1 PHE 20 64.210 0.357 2.118 157 HZ PHE 20 HZ PHE 20 63.070 -0.751 4.023 158 H LYS 21 HN LYS 21 59.598 6.342 1.301 159 HA LYS 21 HA LYS 21 61.358 7.510 -0.717 160 HB2 LYS 21 HB2 LYS 21 58.808 6.921 -0.731 161 HB3 LYS 21 HB1 LYS 21 58.609 8.475 0.068 162 HG2 LYS 21 HG2 LYS 21 60.368 8.538 -2.306 163 HG3 LYS 21 HG1 LYS 21 58.681 8.139 -2.646 164 HD2 LYS 21 HD2 LYS 21 57.945 10.148 -1.423 165 HD3 LYS 21 HD1 LYS 21 59.626 10.550 -1.064 166 HE2 LYS 21 HE2 LYS 21 59.755 11.638 -3.041 167 HE3 LYS 21 HE1 LYS 21 59.437 10.105 -3.884 168 HZ1 LYS 21 HZ1 LYS 21 57.342 11.834 -2.674 169 HZ2 LYS 21 HZ2 LYS 21 57.085 10.420 -3.578 170 HZ3 LYS 21 HZ3 LYS 21 57.722 11.807 -4.327 171 H ALA 22 HN ALA 22 59.696 8.708 2.218 172 HA ALA 22 HA ALA 22 60.529 11.428 2.111 173 HB1 ALA 22 HB1 ALA 22 59.795 11.460 4.383 174 HB2 ALA 22 HB2 ALA 22 60.199 9.757 4.618 175 HB3 ALA 22 HB3 ALA 22 58.828 10.206 3.607 176 H ALA 23 HN ALA 23 62.181 8.568 3.504 177 HA ALA 23 HA ALA 23 64.389 9.982 4.691 178 HB1 ALA 23 HB1 ALA 23 64.359 7.818 5.441 179 HB2 ALA 23 HB2 ALA 23 65.350 7.490 4.021 180 HB3 ALA 23 HB3 ALA 23 63.606 7.218 3.963 181 H PHE 24 HN PHE 24 64.064 8.311 1.539 182 HA PHE 24 HA PHE 24 66.638 8.923 0.484 183 HB2 PHE 24 HB2 PHE 24 64.259 7.638 -0.288 184 HB3 PHE 24 HB1 PHE 24 64.504 8.890 -1.504 185 HD1 PHE 24 HD2 PHE 24 66.311 6.169 0.317 186 HD2 PHE 24 HD1 PHE 24 66.070 8.560 -3.233 187 HE1 PHE 24 HE2 PHE 24 68.103 4.806 -0.720 188 HE2 PHE 24 HE1 PHE 24 67.863 7.200 -4.277 189 HZ PHE 24 HZ PHE 24 68.877 5.321 -3.020 190 H ASP 25 HN ASP 25 63.593 10.788 0.374 191 HA ASP 25 HA ASP 25 64.240 12.829 -1.429 192 HB2 ASP 25 HB2 ASP 25 62.476 12.397 0.884 193 HB3 ASP 25 HB1 ASP 25 62.853 14.096 0.604 194 H ILE 26 HN ILE 26 65.258 12.570 2.000 195 HA ILE 26 HA ILE 26 66.335 15.149 2.384 196 HB ILE 26 HB ILE 26 67.031 12.388 3.383 197 HG12 ILE 26 HG12 ILE 26 66.035 14.752 4.966 198 HG13 ILE 26 HG11 ILE 26 64.916 13.813 3.981 199 HG21 ILE 26 HG21 ILE 26 68.444 14.994 3.936 200 HG22 ILE 26 HG22 ILE 26 69.137 13.395 3.676 201 HG23 ILE 26 HG23 ILE 26 68.327 13.768 5.198 202 HD11 ILE 26 HD11 ILE 26 64.844 12.812 6.137 203 HD12 ILE 26 HD12 ILE 26 66.596 12.860 6.305 204 HD13 ILE 26 HD13 ILE 26 65.848 11.741 5.160 205 H PHE 27 HN PHE 27 67.925 12.312 0.846 206 HA PHE 27 HA PHE 27 70.272 14.035 0.206 207 HB2 PHE 27 HB2 PHE 27 70.502 11.400 -0.922 208 HB3 PHE 27 HB1 PHE 27 71.444 12.120 0.370 209 HD1 PHE 27 HD2 PHE 27 70.235 12.167 2.742 210 HD2 PHE 27 HD1 PHE 27 69.247 9.488 -0.472 211 HE1 PHE 27 HE2 PHE 27 69.219 10.594 4.364 212 HE2 PHE 27 HE1 PHE 27 68.238 7.914 1.154 213 HZ PHE 27 HZ PHE 27 68.227 8.464 3.572 214 H VAL 28 HN VAL 28 67.540 12.473 -1.366 215 HA VAL 28 HA VAL 28 68.376 12.656 -4.086 216 HB VAL 28 HB VAL 28 65.702 12.773 -2.664 217 HG11 VAL 28 HG11 VAL 28 66.290 12.612 -5.634 218 HG12 VAL 28 HG12 VAL 28 65.366 13.862 -4.802 219 HG13 VAL 28 HG13 VAL 28 64.723 12.226 -4.918 220 HG21 VAL 28 HG21 VAL 28 65.703 10.493 -2.858 221 HG22 VAL 28 HG22 VAL 28 67.449 10.714 -2.935 222 HG23 VAL 28 HG23 VAL 28 66.520 10.524 -4.422 223 H GLN 29 HN GLN 29 66.662 15.025 -2.010 224 HA GLN 29 HA GLN 29 66.224 17.075 -3.927 225 HB2 GLN 29 HB2 GLN 29 66.369 16.757 -1.003 226 HB3 GLN 29 HB1 GLN 29 66.811 18.377 -1.544 227 HG2 GLN 29 HG2 GLN 29 64.514 18.622 -1.405 228 HG3 GLN 29 HG1 GLN 29 64.658 18.084 -3.078 229 HE21 GLN 29 HE21 GLN 29 63.249 17.331 -0.032 230 HE22 GLN 29 HE22 GLN 29 62.676 15.786 -0.429 231 H GLY 30 HN GLY 30 69.114 16.385 -1.938 232 HA2 GLY 30 HA2 GLY 30 70.574 18.596 -3.278 233 HA3 GLY 30 HA1 GLY 30 71.142 17.689 -1.877 234 H ALA 31 HN ALA 31 69.860 16.368 -4.932 235 HA ALA 31 HA ALA 31 72.583 15.270 -5.534 236 HB1 ALA 31 HB1 ALA 31 71.546 13.105 -5.970 237 HB2 ALA 31 HB2 ALA 31 69.941 13.778 -5.685 238 HB3 ALA 31 HB3 ALA 31 71.088 13.633 -4.351 239 H GLU 32 HN GLU 32 72.873 14.716 -7.807 240 HA GLU 32 HA GLU 32 71.609 16.597 -9.631 241 HB2 GLU 32 HB2 GLU 32 73.596 14.328 -9.827 242 HB3 GLU 32 HB1 GLU 32 73.043 15.182 -11.268 243 HG2 GLU 32 HG2 GLU 32 73.787 17.030 -9.127 244 HG3 GLU 32 HG1 GLU 32 75.129 15.988 -9.596 245 H ASP 33 HN ASP 33 71.634 12.989 -9.524 246 HA ASP 33 HA ASP 33 69.181 13.003 -11.236 247 HB2 ASP 33 HB2 ASP 33 71.559 11.267 -10.858 248 HB3 ASP 33 HB1 ASP 33 70.047 10.436 -11.202 249 H GLY 34 HN GLY 34 69.961 12.733 -7.968 250 HA2 GLY 34 HA2 GLY 34 68.332 12.286 -6.258 251 HA3 GLY 34 HA1 GLY 34 67.393 11.361 -7.422 252 H SER 35 HN SER 35 70.445 10.242 -7.902 253 HA SER 35 HA SER 35 69.965 7.889 -6.144 254 HB2 SER 35 HB2 SER 35 70.454 7.772 -8.634 255 HB3 SER 35 HB1 SER 35 72.069 8.382 -8.277 256 HG SER 35 HG SER 35 70.892 5.913 -7.678 257 H ILE 36 HN ILE 36 72.221 6.912 -5.376 258 HA ILE 36 HA ILE 36 73.975 9.081 -4.315 259 HB ILE 36 HB ILE 36 73.442 6.954 -2.368 260 HG12 ILE 36 HG12 ILE 36 71.139 8.836 -2.967 261 HG13 ILE 36 HG11 ILE 36 71.169 7.157 -3.508 262 HG21 ILE 36 HG21 ILE 36 74.327 9.569 -2.409 263 HG22 ILE 36 HG22 ILE 36 73.896 8.656 -0.962 264 HG23 ILE 36 HG23 ILE 36 72.709 9.716 -1.723 265 HD11 ILE 36 HD11 ILE 36 71.701 7.774 -0.618 266 HD12 ILE 36 HD12 ILE 36 71.032 6.310 -1.348 267 HD13 ILE 36 HD13 ILE 36 70.040 7.756 -1.212 268 H SER 37 HN SER 37 76.094 8.379 -3.809 269 HA SER 37 HA SER 37 77.034 6.039 -5.311 270 HB2 SER 37 HB2 SER 37 78.100 8.361 -5.099 271 HB3 SER 37 HB1 SER 37 78.560 7.898 -3.464 272 HG SER 37 HG SER 37 79.226 6.511 -5.853 273 H THR 38 HN THR 38 78.941 4.795 -3.945 274 HA THR 38 HA THR 38 77.523 3.358 -1.828 275 HB THR 38 HB THR 38 79.678 2.035 -1.826 276 HG1 THR 38 HG1 THR 38 81.324 2.708 -3.009 277 HG21 THR 38 HG21 THR 38 79.340 1.100 -4.042 278 HG22 THR 38 HG22 THR 38 78.544 2.578 -4.583 279 HG23 THR 38 HG23 THR 38 77.771 1.551 -3.379 280 H LYS 39 HN LYS 39 80.341 5.576 -1.924 281 HA LYS 39 HA LYS 39 81.184 5.307 0.776 282 HB2 LYS 39 HB2 LYS 39 82.195 7.556 0.389 283 HB3 LYS 39 HB1 LYS 39 82.455 6.463 -0.966 284 HG2 LYS 39 HG2 LYS 39 80.444 7.491 -2.087 285 HG3 LYS 39 HG1 LYS 39 80.398 8.680 -0.786 286 HD2 LYS 39 HD2 LYS 39 82.124 9.859 -1.663 287 HD3 LYS 39 HD1 LYS 39 83.066 8.402 -1.971 288 HE2 LYS 39 HE2 LYS 39 82.649 9.156 -4.159 289 HE3 LYS 39 HE1 LYS 39 81.290 8.042 -3.919 290 HZ1 LYS 39 HZ1 LYS 39 81.278 10.987 -3.477 291 HZ2 LYS 39 HZ2 LYS 39 79.999 9.955 -3.043 292 HZ3 LYS 39 HZ3 LYS 39 80.426 10.137 -4.676 293 H GLU 40 HN GLU 40 78.658 7.473 -0.552 294 HA GLU 40 HA GLU 40 78.065 8.585 2.112 295 HB2 GLU 40 HB2 GLU 40 76.253 9.759 0.777 296 HB3 GLU 40 HB1 GLU 40 77.895 10.041 0.203 297 HG2 GLU 40 HG2 GLU 40 76.953 7.712 -1.130 298 HG3 GLU 40 HG1 GLU 40 75.661 8.900 -1.210 299 H LEU 41 HN LEU 41 77.119 5.757 0.396 300 HA LEU 41 HA LEU 41 74.373 5.551 1.167 301 HB2 LEU 41 HB2 LEU 41 76.143 4.126 -0.367 302 HB3 LEU 41 HB1 LEU 41 75.933 3.055 1.015 303 HG LEU 41 HG LEU 41 74.261 2.623 -0.791 304 HD11 LEU 41 HD11 LEU 41 72.394 2.416 0.676 305 HD12 LEU 41 HD12 LEU 41 72.907 3.800 1.641 306 HD13 LEU 41 HD13 LEU 41 73.818 2.290 1.709 307 HD21 LEU 41 HD21 LEU 41 72.793 4.238 -1.561 308 HD22 LEU 41 HD22 LEU 41 74.186 5.261 -1.205 309 HD23 LEU 41 HD23 LEU 41 72.854 5.159 -0.058 310 H GLY 42 HN GLY 42 77.360 4.791 2.942 311 HA2 GLY 42 HA2 GLY 42 76.309 3.147 4.983 312 HA3 GLY 42 HA1 GLY 42 77.674 4.239 5.208 313 H LYS 43 HN LYS 43 76.201 6.704 4.684 314 HA LYS 43 HA LYS 43 75.093 7.160 7.332 315 HB2 LYS 43 HB2 LYS 43 75.360 8.711 4.756 316 HB3 LYS 43 HB1 LYS 43 74.410 9.372 6.088 317 HG2 LYS 43 HG2 LYS 43 77.214 8.343 6.520 318 HG3 LYS 43 HG1 LYS 43 76.917 10.000 5.999 319 HD2 LYS 43 HD2 LYS 43 75.200 9.222 8.238 320 HD3 LYS 43 HD1 LYS 43 76.917 9.092 8.633 321 HE2 LYS 43 HE2 LYS 43 77.203 11.446 7.693 322 HE3 LYS 43 HE1 LYS 43 75.428 11.551 7.661 323 HZ1 LYS 43 HZ1 LYS 43 76.413 12.321 9.793 324 HZ2 LYS 43 HZ2 LYS 43 77.012 10.754 10.051 325 HZ3 LYS 43 HZ3 LYS 43 75.336 11.024 9.984 326 H VAL 44 HN VAL 44 73.656 6.774 4.078 327 HA VAL 44 HA VAL 44 70.928 7.295 4.667 328 HB VAL 44 HB VAL 44 72.450 5.544 2.743 329 HG11 VAL 44 HG11 VAL 44 70.133 5.273 1.588 330 HG12 VAL 44 HG12 VAL 44 69.465 5.605 3.188 331 HG13 VAL 44 HG13 VAL 44 70.515 4.206 2.944 332 HG21 VAL 44 HG21 VAL 44 72.414 7.479 1.590 333 HG22 VAL 44 HG22 VAL 44 71.402 8.230 2.823 334 HG23 VAL 44 HG23 VAL 44 70.660 7.350 1.487 335 H MET 45 HN MET 45 72.813 4.287 4.964 336 HA MET 45 HA MET 45 70.657 2.605 5.876 337 HB2 MET 45 HB2 MET 45 73.667 2.459 6.299 338 HB3 MET 45 HB1 MET 45 72.546 1.121 6.521 339 HG2 MET 45 HG2 MET 45 72.035 2.170 3.944 340 HG3 MET 45 HG1 MET 45 73.787 2.020 4.094 341 HE1 MET 45 HE1 MET 45 70.546 -0.193 5.288 342 HE2 MET 45 HE2 MET 45 70.563 -1.045 3.744 343 HE3 MET 45 HE3 MET 45 70.504 0.720 3.770 344 H ARG 46 HN ARG 46 73.285 4.276 7.668 345 HA ARG 46 HA ARG 46 72.500 3.537 10.300 346 HB2 ARG 46 HB2 ARG 46 74.615 4.694 9.391 347 HB3 ARG 46 HB1 ARG 46 73.700 6.198 9.524 348 HG2 ARG 46 HG2 ARG 46 73.886 6.237 11.778 349 HG3 ARG 46 HG1 ARG 46 73.471 4.529 11.921 350 HD2 ARG 46 HD2 ARG 46 75.712 4.620 12.687 351 HD3 ARG 46 HD1 ARG 46 75.884 4.111 10.995 352 HE ARG 46 HE ARG 46 75.813 7.002 11.197 353 HH11 ARG 46 HH21 ARG 46 77.613 5.190 9.502 354 HH12 ARG 46 HH22 ARG 46 79.169 5.585 10.151 355 HH21 ARG 46 HH11 ARG 46 77.887 7.117 12.977 356 HH22 ARG 46 HH12 ARG 46 79.324 6.673 12.122 357 H MET 47 HN MET 47 71.378 6.221 8.252 358 HA MET 47 HA MET 47 69.942 7.682 10.241 359 HB2 MET 47 HB2 MET 47 70.568 8.153 7.739 360 HB3 MET 47 HB1 MET 47 69.030 7.366 7.382 361 HG2 MET 47 HG2 MET 47 67.862 8.968 8.854 362 HG3 MET 47 HG1 MET 47 69.397 9.754 9.222 363 HE1 MET 47 HE1 MET 47 67.718 8.286 5.951 364 HE2 MET 47 HE2 MET 47 67.035 9.775 5.296 365 HE3 MET 47 HE3 MET 47 66.516 9.193 6.876 366 H LEU 48 HN LEU 48 68.912 4.938 8.164 367 HA LEU 48 HA LEU 48 66.173 4.941 9.212 368 HB2 LEU 48 HB2 LEU 48 67.836 3.485 7.241 369 HB3 LEU 48 HB1 LEU 48 66.584 2.505 8.002 370 HG LEU 48 HG LEU 48 65.053 4.596 7.477 371 HD11 LEU 48 HD11 LEU 48 66.223 5.133 4.985 372 HD12 LEU 48 HD12 LEU 48 67.562 5.204 6.133 373 HD13 LEU 48 HD13 LEU 48 66.146 6.226 6.366 374 HD21 LEU 48 HD21 LEU 48 64.357 3.505 5.449 375 HD22 LEU 48 HD22 LEU 48 64.945 2.236 6.522 376 HD23 LEU 48 HD23 LEU 48 65.957 2.809 5.197 377 H GLY 49 HN GLY 49 69.147 3.079 9.800 378 HA2 GLY 49 HA2 GLY 49 69.146 2.462 12.379 379 HA3 GLY 49 HA1 GLY 49 67.768 1.473 11.894 380 H GLN 50 HN GLN 50 70.806 2.072 10.107 381 HA GLN 50 HA GLN 50 71.332 -0.884 10.239 382 HB2 GLN 50 HB2 GLN 50 72.005 1.036 8.001 383 HB3 GLN 50 HB1 GLN 50 72.062 -0.717 7.941 384 HG2 GLN 50 HG2 GLN 50 69.461 0.695 8.519 385 HG3 GLN 50 HG1 GLN 50 70.039 0.520 6.860 386 HE21 GLN 50 HE21 GLN 50 68.791 -1.259 9.652 387 HE22 GLN 50 HE22 GLN 50 68.613 -2.739 8.848 388 H ASN 51 HN ASN 51 73.667 -1.428 9.974 389 HA ASN 51 HA ASN 51 75.623 0.748 10.436 390 HB2 ASN 51 HB2 ASN 51 74.430 -0.318 12.593 391 HB3 ASN 51 HB1 ASN 51 75.684 -1.536 12.370 392 HD21 ASN 51 HD21 ASN 51 78.009 -0.503 12.041 393 HD22 ASN 51 HD22 ASN 51 78.360 0.833 13.029 394 HA PRO 52 HA PRO 52 77.030 -3.177 8.197 395 HB2 PRO 52 HB2 PRO 52 77.017 -2.263 5.622 396 HB3 PRO 52 HB1 PRO 52 75.608 -3.037 6.380 397 HG2 PRO 52 HG2 PRO 52 76.142 -0.157 5.883 398 HG3 PRO 52 HG1 PRO 52 74.620 -1.057 5.812 399 HD2 PRO 52 HD2 PRO 52 75.379 0.555 7.904 400 HD3 PRO 52 HD1 PRO 52 74.202 -0.769 8.019 401 H THR 53 HN THR 53 79.174 -3.417 7.197 402 HA THR 53 HA THR 53 80.973 -1.138 7.765 403 HB THR 53 HB THR 53 82.671 -3.001 7.074 404 HG1 THR 53 HG1 THR 53 81.858 -4.865 6.582 405 HG21 THR 53 HG21 THR 53 82.600 -3.932 9.286 406 HG22 THR 53 HG22 THR 53 80.886 -3.552 9.456 407 HG23 THR 53 HG23 THR 53 82.081 -2.253 9.412 408 HA PRO 54 HA PRO 54 81.501 0.150 3.605 409 HB2 PRO 54 HB2 PRO 54 84.225 0.432 3.378 410 HB3 PRO 54 HB1 PRO 54 83.190 1.566 4.271 411 HG2 PRO 54 HG2 PRO 54 84.861 -0.685 5.303 412 HG3 PRO 54 HG1 PRO 54 84.648 0.948 5.956 413 HD2 PRO 54 HD2 PRO 54 83.369 -1.183 6.996 414 HD3 PRO 54 HD1 PRO 54 82.623 0.432 6.950 415 H GLU 55 HN GLU 55 83.771 -2.483 4.505 416 HA GLU 55 HA GLU 55 84.294 -3.400 1.831 417 HB2 GLU 55 HB2 GLU 55 85.025 -5.468 3.035 418 HB3 GLU 55 HB1 GLU 55 85.660 -3.999 3.771 419 HG2 GLU 55 HG2 GLU 55 83.088 -4.628 4.926 420 HG3 GLU 55 HG1 GLU 55 84.153 -6.029 5.038 421 H GLU 56 HN GLU 56 81.589 -3.993 4.039 422 HA GLU 56 HA GLU 56 80.468 -6.140 2.330 423 HB2 GLU 56 HB2 GLU 56 80.087 -4.988 5.029 424 HB3 GLU 56 HB1 GLU 56 78.605 -5.545 4.248 425 HG2 GLU 56 HG2 GLU 56 81.096 -7.251 4.339 426 HG3 GLU 56 HG1 GLU 56 79.893 -7.286 5.630 427 H LEU 57 HN LEU 57 79.808 -2.768 3.228 428 HA LEU 57 HA LEU 57 77.271 -2.409 2.010 429 HB2 LEU 57 HB2 LEU 57 78.637 -0.889 3.551 430 HB3 LEU 57 HB1 LEU 57 79.530 -0.390 2.113 431 HG LEU 57 HG LEU 57 77.257 0.149 1.068 432 HD11 LEU 57 HD11 LEU 57 75.514 0.693 2.863 433 HD12 LEU 57 HD12 LEU 57 76.482 -0.288 3.964 434 HD13 LEU 57 HD13 LEU 57 75.764 -1.021 2.529 435 HD21 LEU 57 HD21 LEU 57 78.712 1.928 1.778 436 HD22 LEU 57 HD22 LEU 57 78.338 1.639 3.477 437 HD23 LEU 57 HD23 LEU 57 77.109 2.309 2.403 438 H GLN 58 HN GLN 58 80.530 -2.375 0.585 439 HA GLN 58 HA GLN 58 79.929 -1.268 -1.969 440 HB2 GLN 58 HB2 GLN 58 82.191 -1.746 -1.057 441 HB3 GLN 58 HB1 GLN 58 81.860 -3.474 -1.157 442 HG2 GLN 58 HG2 GLN 58 83.142 -2.870 -3.108 443 HG3 GLN 58 HG1 GLN 58 81.490 -3.188 -3.632 444 HE21 GLN 58 HE21 GLN 58 80.438 -1.510 -4.764 445 HE22 GLN 58 HE22 GLN 58 81.042 0.073 -4.895 446 H GLU 59 HN GLU 59 80.060 -4.731 -1.016 447 HA GLU 59 HA GLU 59 78.894 -5.730 -3.468 448 HB2 GLU 59 HB2 GLU 59 80.251 -7.097 -1.958 449 HB3 GLU 59 HB1 GLU 59 79.107 -6.831 -0.642 450 HG2 GLU 59 HG2 GLU 59 78.516 -8.963 -1.470 451 HG3 GLU 59 HG1 GLU 59 77.345 -7.880 -2.222 452 H MET 60 HN MET 60 77.551 -4.970 -0.249 453 HA MET 60 HA MET 60 74.869 -5.774 -0.578 454 HB2 MET 60 HB2 MET 60 76.420 -3.775 0.983 455 HB3 MET 60 HB1 MET 60 74.675 -3.527 0.928 456 HG2 MET 60 HG2 MET 60 74.566 -6.096 1.468 457 HG3 MET 60 HG1 MET 60 76.216 -5.859 2.038 458 HE1 MET 60 HE1 MET 60 73.050 -4.196 1.658 459 HE2 MET 60 HE2 MET 60 73.358 -2.788 2.674 460 HE3 MET 60 HE3 MET 60 72.320 -4.078 3.268 461 H ILE 61 HN ILE 61 76.474 -2.823 -1.741 462 HA ILE 61 HA ILE 61 73.954 -1.652 -2.738 463 HB ILE 61 HB ILE 61 76.886 -0.919 -2.652 464 HG12 ILE 61 HG12 ILE 61 74.394 0.421 -1.552 465 HG13 ILE 61 HG11 ILE 61 75.445 -0.649 -0.628 466 HG21 ILE 61 HG21 ILE 61 74.800 0.135 -4.457 467 HG22 ILE 61 HG22 ILE 61 76.553 0.257 -4.573 468 HG23 ILE 61 HG23 ILE 61 75.659 1.370 -3.536 469 HD11 ILE 61 HD11 ILE 61 76.285 1.465 -0.066 470 HD12 ILE 61 HD12 ILE 61 76.015 2.111 -1.683 471 HD13 ILE 61 HD13 ILE 61 77.347 0.991 -1.393 472 H ASP 62 HN ASP 62 76.944 -3.065 -4.104 473 HA ASP 62 HA ASP 62 76.231 -2.667 -6.875 474 HB2 ASP 62 HB2 ASP 62 78.297 -4.004 -5.248 475 HB3 ASP 62 HB1 ASP 62 77.993 -4.789 -6.794 476 H GLU 63 HN GLU 63 75.672 -5.341 -4.585 477 HA GLU 63 HA GLU 63 74.822 -7.338 -6.431 478 HB2 GLU 63 HB2 GLU 63 75.282 -7.334 -3.850 479 HB3 GLU 63 HB1 GLU 63 73.569 -6.941 -3.719 480 HG2 GLU 63 HG2 GLU 63 74.302 -9.192 -5.528 481 HG3 GLU 63 HG1 GLU 63 74.462 -9.480 -3.797 482 H VAL 64 HN VAL 64 72.894 -4.840 -4.729 483 HA VAL 64 HA VAL 64 70.407 -5.586 -6.076 484 HB VAL 64 HB VAL 64 69.549 -3.574 -4.917 485 HG11 VAL 64 HG11 VAL 64 69.709 -4.450 -2.768 486 HG12 VAL 64 HG12 VAL 64 71.407 -4.880 -2.952 487 HG13 VAL 64 HG13 VAL 64 70.161 -5.846 -3.746 488 HG21 VAL 64 HG21 VAL 64 71.842 -2.356 -5.311 489 HG22 VAL 64 HG22 VAL 64 72.298 -3.099 -3.779 490 HG23 VAL 64 HG23 VAL 64 70.920 -2.002 -3.851 491 H ASP 65 HN ASP 65 73.120 -3.573 -6.898 492 HA ASP 65 HA ASP 65 71.727 -1.754 -8.704 493 HB2 ASP 65 HB2 ASP 65 74.137 -1.796 -7.457 494 HB3 ASP 65 HB1 ASP 65 74.620 -2.416 -9.034 495 H GLU 66 HN GLU 66 70.491 -3.243 -10.056 496 HA GLU 66 HA GLU 66 71.841 -5.319 -11.626 497 HB2 GLU 66 HB2 GLU 66 69.092 -4.146 -11.331 498 HB3 GLU 66 HB1 GLU 66 69.433 -5.168 -12.725 499 HG2 GLU 66 HG2 GLU 66 69.474 -7.055 -11.470 500 HG3 GLU 66 HG1 GLU 66 70.431 -6.293 -10.199 501 H ASP 67 HN ASP 67 70.791 -1.974 -12.178 502 HA ASP 67 HA ASP 67 71.060 -2.000 -15.059 503 HB2 ASP 67 HB2 ASP 67 70.897 0.461 -14.763 504 HB3 ASP 67 HB1 ASP 67 69.688 -0.388 -13.808 505 H GLY 68 HN GLY 68 73.397 -1.720 -12.477 506 HA2 GLY 68 HA2 GLY 68 75.745 -1.809 -12.671 507 HA3 GLY 68 HA1 GLY 68 75.574 -1.722 -14.419 508 H SER 69 HN SER 69 74.787 0.458 -11.675 509 HA SER 69 HA SER 69 76.171 2.660 -13.190 510 HB2 SER 69 HB2 SER 69 74.492 4.127 -12.387 511 HB3 SER 69 HB1 SER 69 73.612 2.667 -12.807 512 HG SER 69 HG SER 69 73.989 3.871 -10.385 513 H GLY 70 HN GLY 70 75.865 0.958 -10.123 514 HA2 GLY 70 HA2 GLY 70 77.455 0.921 -8.363 515 HA3 GLY 70 HA1 GLY 70 78.321 2.244 -9.142 516 H THR 71 HN THR 71 74.967 2.833 -8.859 517 HA THR 71 HA THR 71 75.330 4.346 -6.300 518 HB THR 71 HB THR 71 74.026 6.185 -7.406 519 HG1 THR 71 HG1 THR 71 73.309 5.937 -9.373 520 HG21 THR 71 HG21 THR 71 75.887 7.143 -8.408 521 HG22 THR 71 HG22 THR 71 76.373 5.635 -9.182 522 HG23 THR 71 HG23 THR 71 76.644 5.862 -7.457 523 H VAL 72 HN VAL 72 73.629 3.975 -4.883 524 HA VAL 72 HA VAL 72 71.454 2.184 -5.734 525 HB VAL 72 HB VAL 72 72.399 3.409 -3.143 526 HG11 VAL 72 HG11 VAL 72 69.958 1.651 -3.569 527 HG12 VAL 72 HG12 VAL 72 69.935 3.338 -3.055 528 HG13 VAL 72 HG13 VAL 72 70.626 2.106 -2.000 529 HG21 VAL 72 HG21 VAL 72 71.985 0.498 -3.496 530 HG22 VAL 72 HG22 VAL 72 73.341 1.366 -2.771 531 HG23 VAL 72 HG23 VAL 72 73.229 1.210 -4.522 532 H ASP 73 HN ASP 73 69.365 2.750 -6.108 533 HA ASP 73 HA ASP 73 68.537 5.592 -5.639 534 HB2 ASP 73 HB2 ASP 73 67.334 5.441 -7.680 535 HB3 ASP 73 HB1 ASP 73 68.818 4.556 -8.017 536 H PHE 74 HN PHE 74 65.742 5.117 -6.035 537 HA PHE 74 HA PHE 74 64.915 4.215 -3.429 538 HB2 PHE 74 HB2 PHE 74 63.770 5.855 -4.958 539 HB3 PHE 74 HB1 PHE 74 63.286 4.499 -5.976 540 HD1 PHE 74 HD2 PHE 74 62.998 5.923 -2.541 541 HD2 PHE 74 HD1 PHE 74 61.427 3.127 -5.398 542 HE1 PHE 74 HE2 PHE 74 61.045 5.517 -1.069 543 HE2 PHE 74 HE1 PHE 74 59.473 2.722 -3.924 544 HZ PHE 74 HZ PHE 74 59.282 3.923 -1.759 545 H ASP 75 HN ASP 75 64.814 2.606 -6.638 546 HA ASP 75 HA ASP 75 63.438 0.229 -5.795 547 HB2 ASP 75 HB2 ASP 75 63.961 1.178 -8.144 548 HB3 ASP 75 HB1 ASP 75 65.537 0.408 -7.966 549 H GLU 76 HN GLU 76 66.947 0.733 -6.399 550 HA GLU 76 HA GLU 76 67.920 -1.752 -5.484 551 HB2 GLU 76 HB2 GLU 76 68.896 1.002 -5.912 552 HB3 GLU 76 HB1 GLU 76 69.876 0.057 -4.790 553 HG2 GLU 76 HG2 GLU 76 70.691 -1.248 -6.450 554 HG3 GLU 76 HG1 GLU 76 69.092 -1.484 -7.150 555 H PHE 77 HN PHE 77 67.192 1.184 -3.576 556 HA PHE 77 HA PHE 77 68.246 0.376 -1.066 557 HB2 PHE 77 HB2 PHE 77 67.223 2.596 -1.913 558 HB3 PHE 77 HB1 PHE 77 65.663 1.904 -1.466 559 HD1 PHE 77 HD1 PHE 77 69.063 1.760 0.122 560 HD2 PHE 77 HD2 PHE 77 64.933 2.856 0.543 561 HE1 PHE 77 HE1 PHE 77 69.463 2.367 2.493 562 HE2 PHE 77 HE2 PHE 77 65.337 3.463 2.914 563 HZ PHE 77 HZ PHE 77 67.601 3.216 3.892 564 H LEU 78 HN LEU 78 65.020 -0.250 -2.479 565 HA LEU 78 HA LEU 78 63.933 -1.658 -0.217 566 HB2 LEU 78 HB2 LEU 78 63.276 -0.999 -2.984 567 HB3 LEU 78 HB1 LEU 78 62.740 -2.628 -2.572 568 HG LEU 78 HG LEU 78 62.037 -1.209 -0.320 569 HD11 LEU 78 HD11 LEU 78 62.694 0.846 -1.788 570 HD12 LEU 78 HD12 LEU 78 61.169 0.894 -0.902 571 HD13 LEU 78 HD13 LEU 78 61.175 0.526 -2.626 572 HD21 LEU 78 HD21 LEU 78 59.723 -1.323 -1.266 573 HD22 LEU 78 HD22 LEU 78 60.610 -2.835 -1.444 574 HD23 LEU 78 HD23 LEU 78 60.417 -1.756 -2.828 575 H VAL 79 HN VAL 79 65.617 -2.777 -3.173 576 HA VAL 79 HA VAL 79 65.471 -5.593 -2.472 577 HB VAL 79 HB VAL 79 67.364 -4.084 -4.309 578 HG11 VAL 79 HG11 VAL 79 66.737 -6.653 -5.296 579 HG12 VAL 79 HG12 VAL 79 67.112 -6.876 -3.588 580 HG13 VAL 79 HG13 VAL 79 68.287 -6.109 -4.657 581 HG21 VAL 79 HG21 VAL 79 65.625 -5.008 -6.029 582 HG22 VAL 79 HG22 VAL 79 65.201 -3.569 -5.102 583 HG23 VAL 79 HG23 VAL 79 64.556 -5.141 -4.632 584 H MET 80 HN MET 80 67.502 -2.981 -1.431 585 HA MET 80 HA MET 80 69.755 -4.666 -0.561 586 HB2 MET 80 HB2 MET 80 70.023 -2.368 -1.436 587 HB3 MET 80 HB1 MET 80 69.011 -1.751 -0.132 588 HG2 MET 80 HG2 MET 80 70.673 -1.918 1.414 589 HG3 MET 80 HG1 MET 80 71.298 -3.418 0.731 590 HE1 MET 80 HE1 MET 80 73.380 0.263 0.823 591 HE2 MET 80 HE2 MET 80 73.656 -1.296 1.591 592 HE3 MET 80 HE3 MET 80 72.117 -0.463 1.824 593 H MET 81 HN MET 81 67.028 -2.894 0.958 594 HA MET 81 HA MET 81 67.777 -3.434 3.685 595 HB2 MET 81 HB2 MET 81 65.860 -1.979 2.259 596 HB3 MET 81 HB1 MET 81 64.918 -3.157 3.177 597 HG2 MET 81 HG2 MET 81 65.261 -2.015 5.076 598 HG3 MET 81 HG1 MET 81 67.006 -2.102 4.846 599 HE1 MET 81 HE1 MET 81 68.184 -0.247 5.153 600 HE2 MET 81 HE2 MET 81 66.905 0.355 6.201 601 HE3 MET 81 HE3 MET 81 67.656 1.438 5.032 602 H VAL 82 HN VAL 82 65.666 -5.201 1.396 603 HA VAL 82 HA VAL 82 64.466 -7.033 3.186 604 HB VAL 82 HB VAL 82 64.357 -8.530 1.166 605 HG11 VAL 82 HG11 VAL 82 63.200 -6.770 -0.297 606 HG12 VAL 82 HG12 VAL 82 63.675 -5.596 0.930 607 HG13 VAL 82 HG13 VAL 82 62.611 -6.933 1.357 608 HG21 VAL 82 HG21 VAL 82 65.229 -7.056 -0.936 609 HG22 VAL 82 HG22 VAL 82 66.197 -8.316 -0.178 610 HG23 VAL 82 HG23 VAL 82 66.454 -6.628 0.257 611 H ARG 83 HN ARG 83 67.731 -7.066 1.836 612 HA ARG 83 HA ARG 83 68.460 -9.743 2.631 613 HB2 ARG 83 HB2 ARG 83 70.077 -7.212 2.175 614 HB3 ARG 83 HB1 ARG 83 70.751 -8.843 2.236 615 HG2 ARG 83 HG2 ARG 83 69.418 -9.511 0.304 616 HG3 ARG 83 HG1 ARG 83 68.626 -7.935 0.272 617 HD2 ARG 83 HD2 ARG 83 70.347 -7.780 -1.377 618 HD3 ARG 83 HD1 ARG 83 71.022 -6.960 0.047 619 HE ARG 83 HE ARG 83 71.541 -9.875 -0.352 620 HH11 ARG 83 HH21 ARG 83 72.843 -8.565 1.919 621 HH12 ARG 83 HH22 ARG 83 74.390 -8.123 1.287 622 HH21 ARG 83 HH11 ARG 83 73.428 -8.473 -2.018 623 HH22 ARG 83 HH12 ARG 83 74.724 -8.076 -0.944 624 H SER 84 HN SER 84 68.764 -6.564 4.203 625 HA SER 84 HA SER 84 70.049 -7.712 6.595 626 HB2 SER 84 HB2 SER 84 70.199 -5.394 7.257 627 HB3 SER 84 HB1 SER 84 70.534 -5.454 5.529 628 HG SER 84 HG SER 84 68.980 -3.821 6.276 629 H MET 85 HN MET 85 66.817 -6.972 5.504 630 HA MET 85 HA MET 85 65.403 -6.380 7.848 631 HB2 MET 85 HB2 MET 85 64.858 -7.856 5.297 632 HB3 MET 85 HB1 MET 85 63.627 -7.896 6.558 633 HG2 MET 85 HG2 MET 85 64.520 -5.213 6.406 634 HG3 MET 85 HG1 MET 85 64.272 -5.752 4.745 635 HE1 MET 85 HE1 MET 85 61.072 -3.714 5.716 636 HE2 MET 85 HE2 MET 85 62.421 -3.863 4.593 637 HE3 MET 85 HE3 MET 85 62.732 -3.467 6.281 638 H LYS 86 HN LYS 86 66.572 -9.578 6.771 639 HA LYS 86 HA LYS 86 65.153 -11.074 8.799 640 HB2 LYS 86 HB2 LYS 86 66.317 -12.911 7.890 641 HB3 LYS 86 HB1 LYS 86 66.192 -11.791 6.540 642 HG2 LYS 86 HG2 LYS 86 68.433 -12.211 6.373 643 HG3 LYS 86 HG1 LYS 86 68.536 -10.950 7.600 644 HD2 LYS 86 HD2 LYS 86 69.263 -12.416 9.162 645 HD3 LYS 86 HD1 LYS 86 67.960 -13.542 8.795 646 HE2 LYS 86 HE2 LYS 86 69.700 -14.858 8.061 647 HE3 LYS 86 HE1 LYS 86 69.525 -13.884 6.590 648 HZ1 LYS 86 HZ1 LYS 86 71.197 -12.424 7.261 649 HZ2 LYS 86 HZ2 LYS 86 71.821 -13.951 7.669 650 HZ3 LYS 86 HZ3 LYS 86 71.162 -12.950 8.875 651 H ASP 87 HN ASP 87 68.201 -9.303 8.840 652 HA ASP 87 HA ASP 87 68.750 -10.373 11.591 653 HB2 ASP 87 HB2 ASP 87 70.311 -10.228 9.216 654 HB3 ASP 87 HB1 ASP 87 71.002 -9.068 10.350 655 H ASP 88 HN ASP 88 69.535 -7.458 9.643 656 HA ASP 88 HA ASP 88 69.582 -5.714 11.986 657 HB2 ASP 88 HB2 ASP 88 70.500 -5.733 9.329 658 HB3 ASP 88 HB1 ASP 88 69.320 -4.425 9.382 659 H SER 89 HN SER 89 67.721 -4.966 12.944 660 HA SER 89 HA SER 89 65.191 -4.901 11.379 661 HB2 SER 89 HB2 SER 89 65.924 -4.757 14.314 662 HB3 SER 89 HB1 SER 89 64.275 -4.507 13.740 663 HG SER 89 HG SER 89 65.912 -6.810 13.423 Start of MODEL 14 1 H1 MET 1 HT1 MET 1 64.861 -19.414 -9.079 2 H2 MET 1 HT2 MET 1 65.358 -17.824 -9.377 3 H3 MET 1 HT3 MET 1 64.590 -18.711 -10.605 4 HA MET 1 HA MET 1 63.038 -17.118 -9.627 5 HB2 MET 1 HB2 MET 1 62.786 -20.093 -9.440 6 HB3 MET 1 HB1 MET 1 61.487 -19.130 -8.733 7 HG2 MET 1 HG2 MET 1 62.494 -18.961 -11.588 8 HG3 MET 1 HG1 MET 1 60.949 -19.629 -11.061 9 HE1 MET 1 HE1 MET 1 58.995 -16.705 -9.673 10 HE2 MET 1 HE2 MET 1 59.649 -18.272 -9.208 11 HE3 MET 1 HE3 MET 1 58.752 -18.115 -10.714 12 H ASP 2 HN ASP 2 62.084 -16.241 -7.740 13 HA ASP 2 HA ASP 2 62.874 -17.377 -5.092 14 HB2 ASP 2 HB2 ASP 2 64.511 -15.633 -6.022 15 HB3 ASP 2 HB1 ASP 2 63.209 -14.460 -5.828 16 H ASP 3 HN ASP 3 61.056 -17.420 -3.810 17 HA ASP 3 HA ASP 3 58.706 -15.768 -4.572 18 HB2 ASP 3 HB2 ASP 3 57.505 -17.332 -3.113 19 HB3 ASP 3 HB1 ASP 3 58.542 -18.228 -4.219 20 H ILE 4 HN ILE 4 60.937 -16.202 -1.806 21 HA ILE 4 HA ILE 4 59.498 -14.610 0.069 22 HB ILE 4 HB ILE 4 61.448 -16.271 0.345 23 HG12 ILE 4 HG12 ILE 4 62.397 -14.662 2.251 24 HG13 ILE 4 HG11 ILE 4 60.969 -13.727 1.811 25 HG21 ILE 4 HG21 ILE 4 63.105 -15.322 -1.107 26 HG22 ILE 4 HG22 ILE 4 63.685 -15.106 0.541 27 HG23 ILE 4 HG23 ILE 4 62.980 -13.745 -0.331 28 HD11 ILE 4 HD11 ILE 4 59.636 -15.883 2.032 29 HD12 ILE 4 HD12 ILE 4 60.280 -15.241 3.544 30 HD13 ILE 4 HD13 ILE 4 61.076 -16.598 2.751 31 H TYR 5 HN TYR 5 61.853 -13.620 -2.446 32 HA TYR 5 HA TYR 5 62.157 -10.918 -1.445 33 HB2 TYR 5 HB2 TYR 5 62.810 -12.478 -3.897 34 HB3 TYR 5 HB1 TYR 5 62.739 -10.725 -4.086 35 HD1 TYR 5 HD2 TYR 5 63.726 -9.607 -1.653 36 HD2 TYR 5 HD1 TYR 5 65.042 -13.161 -3.672 37 HE1 TYR 5 HE2 TYR 5 65.953 -9.389 -0.585 38 HE2 TYR 5 HE1 TYR 5 67.270 -12.943 -2.604 39 HH TYR 5 HH TYR 5 67.943 -11.388 -0.047 40 H LYS 6 HN LYS 6 59.797 -12.483 -3.545 41 HA LYS 6 HA LYS 6 58.614 -9.984 -4.498 42 HB2 LYS 6 HB2 LYS 6 58.663 -12.325 -5.588 43 HB3 LYS 6 HB1 LYS 6 57.371 -12.746 -4.463 44 HG2 LYS 6 HG2 LYS 6 57.024 -10.191 -5.940 45 HG3 LYS 6 HG1 LYS 6 56.904 -11.665 -6.903 46 HD2 LYS 6 HD2 LYS 6 55.447 -12.285 -4.625 47 HD3 LYS 6 HD1 LYS 6 55.049 -10.591 -4.908 48 HE2 LYS 6 HE2 LYS 6 54.991 -12.558 -7.203 49 HE3 LYS 6 HE1 LYS 6 53.598 -12.390 -6.119 50 HZ1 LYS 6 HZ1 LYS 6 53.500 -10.824 -8.001 51 HZ2 LYS 6 HZ2 LYS 6 54.960 -10.127 -7.490 52 HZ3 LYS 6 HZ3 LYS 6 53.575 -10.024 -6.506 53 H ALA 7 HN ALA 7 57.929 -12.333 -1.909 54 HA ALA 7 HA ALA 7 55.365 -11.415 -1.083 55 HB1 ALA 7 HB1 ALA 7 56.271 -13.475 -0.281 56 HB2 ALA 7 HB2 ALA 7 56.185 -12.422 1.132 57 HB3 ALA 7 HB3 ALA 7 57.730 -12.684 0.319 58 H ALA 8 HN ALA 8 58.626 -10.224 -0.226 59 HA ALA 8 HA ALA 8 57.995 -8.465 1.896 60 HB1 ALA 8 HB1 ALA 8 59.952 -8.058 -0.399 61 HB2 ALA 8 HB2 ALA 8 60.263 -9.062 1.020 62 HB3 ALA 8 HB3 ALA 8 60.058 -7.320 1.199 63 H VAL 9 HN VAL 9 58.188 -7.602 -1.592 64 HA VAL 9 HA VAL 9 57.123 -4.960 -1.294 65 HB VAL 9 HB VAL 9 57.146 -6.932 -3.608 66 HG11 VAL 9 HG11 VAL 9 56.267 -4.085 -3.405 67 HG12 VAL 9 HG12 VAL 9 55.676 -5.376 -4.455 68 HG13 VAL 9 HG13 VAL 9 57.190 -4.558 -4.831 69 HG21 VAL 9 HG21 VAL 9 59.001 -4.881 -4.029 70 HG22 VAL 9 HG22 VAL 9 59.370 -6.528 -3.515 71 HG23 VAL 9 HG23 VAL 9 59.156 -5.257 -2.311 72 H GLU 10 HN GLU 10 55.524 -8.105 -1.811 73 HA GLU 10 HA GLU 10 52.881 -7.047 -2.317 74 HB2 GLU 10 HB2 GLU 10 54.127 -9.461 -2.515 75 HB3 GLU 10 HB1 GLU 10 53.198 -9.707 -1.034 76 HG2 GLU 10 HG2 GLU 10 51.741 -10.382 -2.795 77 HG3 GLU 10 HG1 GLU 10 51.186 -8.774 -2.329 78 H GLN 11 HN GLN 11 54.672 -7.786 0.642 79 HA GLN 11 HA GLN 11 52.226 -7.401 2.294 80 HB2 GLN 11 HB2 GLN 11 54.852 -8.717 2.504 81 HB3 GLN 11 HB1 GLN 11 54.340 -7.907 3.982 82 HG2 GLN 11 HG2 GLN 11 53.413 -10.068 4.180 83 HG3 GLN 11 HG1 GLN 11 52.066 -9.091 3.602 84 HE21 GLN 11 HE21 GLN 11 51.281 -9.484 1.434 85 HE22 GLN 11 HE22 GLN 11 51.840 -10.777 0.489 86 H LEU 12 HN LEU 12 54.412 -5.323 0.923 87 HA LEU 12 HA LEU 12 54.992 -3.678 3.295 88 HB2 LEU 12 HB2 LEU 12 55.583 -3.681 0.361 89 HB3 LEU 12 HB1 LEU 12 55.735 -2.153 1.230 90 HG LEU 12 HG LEU 12 57.066 -4.742 2.084 91 HD11 LEU 12 HD11 LEU 12 59.137 -3.748 1.239 92 HD12 LEU 12 HD12 LEU 12 58.255 -2.314 0.712 93 HD13 LEU 12 HD13 LEU 12 57.957 -3.866 -0.066 94 HD21 LEU 12 HD21 LEU 12 57.921 -3.562 3.866 95 HD22 LEU 12 HD22 LEU 12 56.455 -2.606 3.640 96 HD23 LEU 12 HD23 LEU 12 57.987 -2.051 2.965 97 H THR 13 HN THR 13 53.587 -2.143 4.060 98 HA THR 13 HA THR 13 51.188 -1.444 2.455 99 HB THR 13 HB THR 13 50.742 -0.218 4.745 100 HG1 THR 13 HG1 THR 13 51.970 -0.934 6.400 101 HG21 THR 13 HG21 THR 13 49.773 -2.422 3.811 102 HG22 THR 13 HG22 THR 13 49.698 -2.167 5.555 103 HG23 THR 13 HG23 THR 13 50.934 -3.220 4.869 104 H GLU 14 HN GLU 14 50.513 0.910 2.497 105 HA GLU 14 HA GLU 14 52.438 2.596 1.256 106 HB2 GLU 14 HB2 GLU 14 49.706 2.770 2.410 107 HB3 GLU 14 HB1 GLU 14 50.550 4.308 2.197 108 HG2 GLU 14 HG2 GLU 14 50.257 2.222 0.010 109 HG3 GLU 14 HG1 GLU 14 49.198 3.621 0.185 110 H GLU 15 HN GLU 15 51.377 2.420 4.672 111 HA GLU 15 HA GLU 15 52.774 4.723 5.622 112 HB2 GLU 15 HB2 GLU 15 52.457 3.662 7.822 113 HB3 GLU 15 HB1 GLU 15 51.008 3.479 6.838 114 HG2 GLU 15 HG2 GLU 15 51.132 1.241 7.039 115 HG3 GLU 15 HG1 GLU 15 52.738 1.248 6.320 116 H GLN 16 HN GLN 16 53.904 1.408 4.989 117 HA GLN 16 HA GLN 16 56.511 1.787 6.273 118 HB2 GLN 16 HB2 GLN 16 55.493 -0.239 4.239 119 HB3 GLN 16 HB1 GLN 16 56.990 -0.384 5.159 120 HG2 GLN 16 HG2 GLN 16 54.627 0.132 6.827 121 HG3 GLN 16 HG1 GLN 16 54.561 -1.394 5.951 122 HE21 GLN 16 HE21 GLN 16 56.850 0.501 8.014 123 HE22 GLN 16 HE22 GLN 16 57.552 -0.869 8.727 124 H LYS 17 HN LYS 17 55.180 1.923 2.977 125 HA LYS 17 HA LYS 17 57.636 2.377 1.555 126 HB2 LYS 17 HB2 LYS 17 54.792 2.312 1.092 127 HB3 LYS 17 HB1 LYS 17 55.449 3.751 0.320 128 HG2 LYS 17 HG2 LYS 17 57.195 2.318 -0.761 129 HG3 LYS 17 HG1 LYS 17 56.402 0.899 -0.079 130 HD2 LYS 17 HD2 LYS 17 55.323 0.953 -2.122 131 HD3 LYS 17 HD1 LYS 17 54.255 2.029 -1.224 132 HE2 LYS 17 HE2 LYS 17 56.444 3.597 -2.218 133 HE3 LYS 17 HE1 LYS 17 55.780 2.644 -3.562 134 HZ1 LYS 17 HZ1 LYS 17 54.372 4.516 -1.755 135 HZ2 LYS 17 HZ2 LYS 17 53.518 3.304 -2.583 136 HZ3 LYS 17 HZ3 LYS 17 54.374 4.487 -3.450 137 H ASN 18 HN ASN 18 55.320 4.602 3.128 138 HA ASN 18 HA ASN 18 56.444 7.058 2.206 139 HB2 ASN 18 HB2 ASN 18 54.623 7.754 3.340 140 HB3 ASN 18 HB1 ASN 18 54.424 6.131 3.999 141 HD21 ASN 18 HD21 ASN 18 55.035 5.789 6.212 142 HD22 ASN 18 HD22 ASN 18 55.614 7.032 7.209 143 H GLU 19 HN GLU 19 57.272 5.056 5.065 144 HA GLU 19 HA GLU 19 59.174 6.835 6.241 145 HB2 GLU 19 HB2 GLU 19 58.923 3.812 6.152 146 HB3 GLU 19 HB1 GLU 19 60.068 4.654 7.197 147 HG2 GLU 19 HG2 GLU 19 57.064 5.095 7.231 148 HG3 GLU 19 HG1 GLU 19 57.943 4.082 8.373 149 H PHE 20 HN PHE 20 59.577 4.313 3.724 150 HA PHE 20 HA PHE 20 62.437 4.637 3.416 151 HB2 PHE 20 HB2 PHE 20 60.141 3.441 1.887 152 HB3 PHE 20 HB1 PHE 20 61.707 3.584 1.091 153 HD1 PHE 20 HD2 PHE 20 61.934 3.277 4.659 154 HD2 PHE 20 HD1 PHE 20 61.532 1.004 1.039 155 HE1 PHE 20 HE2 PHE 20 62.709 1.251 5.848 156 HE2 PHE 20 HE1 PHE 20 62.307 -1.028 2.231 157 HZ PHE 20 HZ PHE 20 62.898 -0.903 4.636 158 H LYS 21 HN LYS 21 59.631 5.908 1.586 159 HA LYS 21 HA LYS 21 61.125 7.438 -0.304 160 HB2 LYS 21 HB2 LYS 21 58.477 6.819 0.251 161 HB3 LYS 21 HB1 LYS 21 58.544 8.561 0.522 162 HG2 LYS 21 HG2 LYS 21 59.875 7.457 -1.922 163 HG3 LYS 21 HG1 LYS 21 58.115 7.576 -1.910 164 HD2 LYS 21 HD2 LYS 21 58.182 9.814 -2.166 165 HD3 LYS 21 HD1 LYS 21 59.337 9.994 -0.845 166 HE2 LYS 21 HE2 LYS 21 60.298 8.932 -3.497 167 HE3 LYS 21 HE1 LYS 21 60.073 10.681 -3.278 168 HZ1 LYS 21 HZ1 LYS 21 62.231 10.304 -2.502 169 HZ2 LYS 21 HZ2 LYS 21 61.816 8.844 -1.741 170 HZ3 LYS 21 HZ3 LYS 21 61.308 10.324 -1.080 171 H ALA 22 HN ALA 22 59.674 8.422 2.835 172 HA ALA 22 HA ALA 22 60.426 11.162 2.778 173 HB1 ALA 22 HB1 ALA 22 60.062 11.035 5.200 174 HB2 ALA 22 HB2 ALA 22 60.265 9.284 5.161 175 HB3 ALA 22 HB3 ALA 22 58.868 10.027 4.381 176 H ALA 23 HN ALA 23 62.280 8.315 3.916 177 HA ALA 23 HA ALA 23 64.544 9.792 4.925 178 HB1 ALA 23 HB1 ALA 23 64.651 7.638 5.682 179 HB2 ALA 23 HB2 ALA 23 65.494 7.319 4.168 180 HB3 ALA 23 HB3 ALA 23 63.761 7.016 4.293 181 H PHE 24 HN PHE 24 64.001 8.098 1.822 182 HA PHE 24 HA PHE 24 66.457 8.710 0.561 183 HB2 PHE 24 HB2 PHE 24 64.177 7.339 -0.032 184 HB3 PHE 24 HB1 PHE 24 64.005 8.728 -1.105 185 HD1 PHE 24 HD2 PHE 24 66.395 6.039 -0.084 186 HD2 PHE 24 HD1 PHE 24 65.256 8.878 -3.099 187 HE1 PHE 24 HE2 PHE 24 68.050 5.047 -1.641 188 HE2 PHE 24 HE1 PHE 24 66.912 7.884 -4.658 189 HZ PHE 24 HZ PHE 24 68.312 5.976 -3.925 190 H ASP 25 HN ASP 25 63.483 10.671 0.796 191 HA ASP 25 HA ASP 25 64.153 12.736 -1.048 192 HB2 ASP 25 HB2 ASP 25 62.427 12.400 1.374 193 HB3 ASP 25 HB1 ASP 25 62.678 14.038 0.771 194 H ILE 26 HN ILE 26 65.142 12.273 2.342 195 HA ILE 26 HA ILE 26 66.184 14.827 2.943 196 HB ILE 26 HB ILE 26 67.022 12.015 3.705 197 HG12 ILE 26 HG12 ILE 26 65.714 14.043 5.495 198 HG13 ILE 26 HG11 ILE 26 64.732 13.199 4.297 199 HG21 ILE 26 HG21 ILE 26 68.976 13.168 4.259 200 HG22 ILE 26 HG22 ILE 26 68.028 13.390 5.730 201 HG23 ILE 26 HG23 ILE 26 68.119 14.685 4.539 202 HD11 ILE 26 HD11 ILE 26 66.057 12.141 6.738 203 HD12 ILE 26 HD12 ILE 26 66.082 11.094 5.319 204 HD13 ILE 26 HD13 ILE 26 64.544 11.651 5.975 205 H PHE 27 HN PHE 27 67.796 12.125 1.205 206 HA PHE 27 HA PHE 27 70.150 13.889 0.740 207 HB2 PHE 27 HB2 PHE 27 70.415 11.290 -0.490 208 HB3 PHE 27 HB1 PHE 27 71.343 11.986 0.829 209 HD1 PHE 27 HD2 PHE 27 70.232 11.903 3.199 210 HD2 PHE 27 HD1 PHE 27 69.035 9.418 -0.098 211 HE1 PHE 27 HE2 PHE 27 69.184 10.298 4.778 212 HE2 PHE 27 HE1 PHE 27 67.999 7.821 1.479 213 HZ PHE 27 HZ PHE 27 68.067 8.266 3.925 214 H VAL 28 HN VAL 28 67.364 12.649 -0.979 215 HA VAL 28 HA VAL 28 68.436 13.051 -3.665 216 HB VAL 28 HB VAL 28 65.709 12.650 -2.421 217 HG11 VAL 28 HG11 VAL 28 66.350 13.063 -5.362 218 HG12 VAL 28 HG12 VAL 28 65.365 14.124 -4.355 219 HG13 VAL 28 HG13 VAL 28 64.802 12.498 -4.736 220 HG21 VAL 28 HG21 VAL 28 66.181 10.712 -4.339 221 HG22 VAL 28 HG22 VAL 28 66.476 10.522 -2.613 222 HG23 VAL 28 HG23 VAL 28 67.792 11.003 -3.684 223 H GLN 29 HN GLN 29 66.830 15.067 -1.254 224 HA GLN 29 HA GLN 29 65.885 17.218 -2.839 225 HB2 GLN 29 HB2 GLN 29 66.477 16.611 -0.074 226 HB3 GLN 29 HB1 GLN 29 66.996 18.255 -0.440 227 HG2 GLN 29 HG2 GLN 29 64.865 18.998 -0.785 228 HG3 GLN 29 HG1 GLN 29 64.351 17.486 -1.535 229 HE21 GLN 29 HE21 GLN 29 63.412 15.861 -0.172 230 HE22 GLN 29 HE22 GLN 29 63.110 16.113 1.479 231 H GLY 30 HN GLY 30 69.175 16.584 -1.607 232 HA2 GLY 30 HA2 GLY 30 70.154 19.020 -3.028 233 HA3 GLY 30 HA1 GLY 30 71.062 18.114 -1.817 234 H ALA 31 HN ALA 31 69.329 16.459 -4.387 235 HA ALA 31 HA ALA 31 71.893 15.991 -5.853 236 HB1 ALA 31 HB1 ALA 31 70.992 13.516 -5.849 237 HB2 ALA 31 HB2 ALA 31 70.053 14.052 -4.458 238 HB3 ALA 31 HB3 ALA 31 71.816 14.126 -4.414 239 H GLU 32 HN GLU 32 71.263 16.912 -7.828 240 HA GLU 32 HA GLU 32 68.641 16.996 -8.937 241 HB2 GLU 32 HB2 GLU 32 71.440 17.099 -10.068 242 HB3 GLU 32 HB1 GLU 32 70.027 17.297 -11.103 243 HG2 GLU 32 HG2 GLU 32 70.162 19.494 -10.554 244 HG3 GLU 32 HG1 GLU 32 69.463 19.004 -9.011 245 H ASP 33 HN ASP 33 71.197 14.545 -9.274 246 HA ASP 33 HA ASP 33 69.926 12.998 -11.342 247 HB2 ASP 33 HB2 ASP 33 72.087 12.630 -9.287 248 HB3 ASP 33 HB1 ASP 33 71.538 11.231 -10.209 249 H GLY 34 HN GLY 34 69.544 13.075 -7.834 250 HA2 GLY 34 HA2 GLY 34 67.862 12.102 -6.503 251 HA3 GLY 34 HA1 GLY 34 67.124 11.465 -7.972 252 H SER 35 HN SER 35 70.494 10.849 -7.301 253 HA SER 35 HA SER 35 69.865 8.048 -6.439 254 HB2 SER 35 HB2 SER 35 70.421 8.490 -8.942 255 HB3 SER 35 HB1 SER 35 72.062 8.796 -8.382 256 HG SER 35 HG SER 35 70.658 6.438 -8.592 257 H ILE 36 HN ILE 36 71.517 7.131 -5.069 258 HA ILE 36 HA ILE 36 73.418 9.162 -3.942 259 HB ILE 36 HB ILE 36 72.154 6.671 -2.747 260 HG12 ILE 36 HG12 ILE 36 71.626 9.380 -1.652 261 HG13 ILE 36 HG11 ILE 36 70.920 9.044 -3.234 262 HG21 ILE 36 HG21 ILE 36 74.027 6.841 -1.433 263 HG22 ILE 36 HG22 ILE 36 73.054 8.072 -0.626 264 HG23 ILE 36 HG23 ILE 36 74.270 8.545 -1.812 265 HD11 ILE 36 HD11 ILE 36 69.261 8.279 -1.755 266 HD12 ILE 36 HD12 ILE 36 70.441 7.625 -0.623 267 HD13 ILE 36 HD13 ILE 36 70.139 6.803 -2.153 268 H SER 37 HN SER 37 75.615 8.677 -3.958 269 HA SER 37 HA SER 37 76.500 6.281 -5.423 270 HB2 SER 37 HB2 SER 37 77.473 8.592 -5.643 271 HB3 SER 37 HB1 SER 37 78.085 8.441 -3.997 272 HG SER 37 HG SER 37 79.534 7.825 -5.806 273 H THR 38 HN THR 38 78.293 4.937 -4.443 274 HA THR 38 HA THR 38 77.493 3.663 -2.031 275 HB THR 38 HB THR 38 79.789 2.627 -2.220 276 HG1 THR 38 HG1 THR 38 81.177 3.411 -3.681 277 HG21 THR 38 HG21 THR 38 77.741 2.768 -4.352 278 HG22 THR 38 HG22 THR 38 78.440 1.362 -3.550 279 HG23 THR 38 HG23 THR 38 79.310 2.143 -4.867 280 H LYS 39 HN LYS 39 79.861 6.274 -2.578 281 HA LYS 39 HA LYS 39 81.021 6.324 0.037 282 HB2 LYS 39 HB2 LYS 39 81.739 8.578 -0.653 283 HB3 LYS 39 HB1 LYS 39 81.900 7.446 -1.994 284 HG2 LYS 39 HG2 LYS 39 80.788 9.091 -3.140 285 HG3 LYS 39 HG1 LYS 39 79.368 8.316 -2.439 286 HD2 LYS 39 HD2 LYS 39 79.165 10.669 -1.985 287 HD3 LYS 39 HD1 LYS 39 79.615 9.899 -0.465 288 HE2 LYS 39 HE2 LYS 39 82.081 10.452 -1.616 289 HE3 LYS 39 HE1 LYS 39 81.106 11.868 -2.047 290 HZ1 LYS 39 HZ1 LYS 39 80.496 12.207 0.191 291 HZ2 LYS 39 HZ2 LYS 39 82.172 11.929 0.227 292 HZ3 LYS 39 HZ3 LYS 39 81.094 10.698 0.678 293 H GLU 40 HN GLU 40 77.959 7.617 -1.171 294 HA GLU 40 HA GLU 40 77.491 9.137 1.349 295 HB2 GLU 40 HB2 GLU 40 76.551 9.110 -1.439 296 HB3 GLU 40 HB1 GLU 40 75.245 9.316 -0.271 297 HG2 GLU 40 HG2 GLU 40 77.722 10.927 0.154 298 HG3 GLU 40 HG1 GLU 40 76.666 11.401 -1.176 299 H LEU 41 HN LEU 41 76.538 6.182 -0.285 300 HA LEU 41 HA LEU 41 74.111 5.549 1.042 301 HB2 LEU 41 HB2 LEU 41 75.752 4.435 -0.838 302 HB3 LEU 41 HB1 LEU 41 76.000 3.340 0.522 303 HG LEU 41 HG LEU 41 74.132 2.523 -0.807 304 HD11 LEU 41 HD11 LEU 41 72.542 2.258 0.921 305 HD12 LEU 41 HD12 LEU 41 72.865 3.861 1.581 306 HD13 LEU 41 HD13 LEU 41 74.051 2.570 1.780 307 HD21 LEU 41 HD21 LEU 41 72.260 3.843 -1.419 308 HD22 LEU 41 HD22 LEU 41 73.643 4.901 -1.708 309 HD23 LEU 41 HD23 LEU 41 72.663 5.107 -0.256 310 H GLY 42 HN GLY 42 77.484 5.132 2.116 311 HA2 GLY 42 HA2 GLY 42 77.000 3.472 4.388 312 HA3 GLY 42 HA1 GLY 42 78.361 4.583 4.231 313 H LYS 43 HN LYS 43 76.908 7.002 4.001 314 HA LYS 43 HA LYS 43 76.371 7.607 6.789 315 HB2 LYS 43 HB2 LYS 43 76.321 8.967 4.119 316 HB3 LYS 43 HB1 LYS 43 75.454 9.750 5.443 317 HG2 LYS 43 HG2 LYS 43 77.672 10.629 5.518 318 HG3 LYS 43 HG1 LYS 43 77.584 9.450 6.829 319 HD2 LYS 43 HD2 LYS 43 78.970 7.951 5.762 320 HD3 LYS 43 HD1 LYS 43 78.454 8.458 4.152 321 HE2 LYS 43 HE2 LYS 43 80.061 10.091 4.017 322 HE3 LYS 43 HE1 LYS 43 79.895 10.527 5.732 323 HZ1 LYS 43 HZ1 LYS 43 82.006 9.357 5.204 324 HZ2 LYS 43 HZ2 LYS 43 81.102 7.983 4.773 325 HZ3 LYS 43 HZ3 LYS 43 81.064 8.567 6.370 326 H VAL 44 HN VAL 44 74.370 7.036 3.914 327 HA VAL 44 HA VAL 44 71.808 7.689 5.035 328 HB VAL 44 HB VAL 44 72.801 5.891 2.805 329 HG11 VAL 44 HG11 VAL 44 69.909 6.680 3.240 330 HG12 VAL 44 HG12 VAL 44 70.555 5.123 3.762 331 HG13 VAL 44 HG13 VAL 44 70.556 5.549 2.051 332 HG21 VAL 44 HG21 VAL 44 71.149 8.394 2.539 333 HG22 VAL 44 HG22 VAL 44 72.281 7.685 1.388 334 HG23 VAL 44 HG23 VAL 44 72.886 8.511 2.822 335 H MET 45 HN MET 45 73.563 4.566 4.773 336 HA MET 45 HA MET 45 71.579 2.935 6.025 337 HB2 MET 45 HB2 MET 45 74.580 2.789 5.703 338 HB3 MET 45 HB1 MET 45 73.694 1.529 6.558 339 HG2 MET 45 HG2 MET 45 74.034 1.804 3.744 340 HG3 MET 45 HG1 MET 45 73.126 0.573 4.616 341 HE1 MET 45 HE1 MET 45 70.187 0.526 4.266 342 HE2 MET 45 HE2 MET 45 69.826 1.941 5.251 343 HE3 MET 45 HE3 MET 45 71.195 0.906 5.675 344 H ARG 46 HN ARG 46 74.440 4.553 7.458 345 HA ARG 46 HA ARG 46 74.001 3.755 10.156 346 HB2 ARG 46 HB2 ARG 46 75.410 5.933 8.681 347 HB3 ARG 46 HB1 ARG 46 75.168 6.179 10.412 348 HG2 ARG 46 HG2 ARG 46 76.291 3.598 9.301 349 HG3 ARG 46 HG1 ARG 46 77.332 4.958 9.732 350 HD2 ARG 46 HD2 ARG 46 75.308 3.849 11.696 351 HD3 ARG 46 HD1 ARG 46 76.937 3.164 11.565 352 HE ARG 46 HE ARG 46 76.832 6.104 11.823 353 HH11 ARG 46 HH11 ARG 46 75.868 3.994 14.099 354 HH12 ARG 46 HH12 ARG 46 77.205 4.196 15.181 355 HH21 ARG 46 HH21 ARG 46 79.129 5.959 12.910 356 HH22 ARG 46 HH22 ARG 46 79.055 5.284 14.501 357 H MET 47 HN MET 47 72.704 6.508 8.315 358 HA MET 47 HA MET 47 71.253 7.727 10.501 359 HB2 MET 47 HB2 MET 47 71.815 8.982 8.527 360 HB3 MET 47 HB1 MET 47 71.083 7.775 7.473 361 HG2 MET 47 HG2 MET 47 69.247 8.893 9.492 362 HG3 MET 47 HG1 MET 47 69.825 10.062 8.301 363 HE1 MET 47 HE1 MET 47 66.423 9.324 6.816 364 HE2 MET 47 HE2 MET 47 67.735 10.494 6.705 365 HE3 MET 47 HE3 MET 47 67.155 9.979 8.286 366 H LEU 48 HN LEU 48 70.387 5.372 7.967 367 HA LEU 48 HA LEU 48 67.589 5.137 8.600 368 HB2 LEU 48 HB2 LEU 48 69.426 4.204 6.708 369 HB3 LEU 48 HB1 LEU 48 68.883 2.742 7.523 370 HG LEU 48 HG LEU 48 67.428 3.226 5.614 371 HD11 LEU 48 HD11 LEU 48 65.299 3.143 6.746 372 HD12 LEU 48 HD12 LEU 48 65.973 3.922 8.178 373 HD13 LEU 48 HD13 LEU 48 66.468 2.286 7.752 374 HD21 LEU 48 HD21 LEU 48 66.696 5.310 5.100 375 HD22 LEU 48 HD22 LEU 48 67.896 5.872 6.264 376 HD23 LEU 48 HD23 LEU 48 66.221 5.643 6.766 377 H GLY 49 HN GLY 49 70.439 3.824 10.140 378 HA2 GLY 49 HA2 GLY 49 70.155 2.932 12.439 379 HA3 GLY 49 HA1 GLY 49 68.680 2.144 11.882 380 H GLN 50 HN GLN 50 71.652 2.219 9.983 381 HA GLN 50 HA GLN 50 71.968 -0.729 10.471 382 HB2 GLN 50 HB2 GLN 50 72.431 0.870 7.929 383 HB3 GLN 50 HB1 GLN 50 72.575 -0.875 8.093 384 HG2 GLN 50 HG2 GLN 50 70.000 0.545 8.762 385 HG3 GLN 50 HG1 GLN 50 70.374 0.054 7.109 386 HE21 GLN 50 HE21 GLN 50 69.717 -1.186 10.377 387 HE22 GLN 50 HE22 GLN 50 69.452 -2.789 9.899 388 H ASN 51 HN ASN 51 74.157 -1.467 10.598 389 HA ASN 51 HA ASN 51 76.259 0.682 10.632 390 HB2 ASN 51 HB2 ASN 51 75.288 -0.538 12.811 391 HB3 ASN 51 HB1 ASN 51 76.452 -1.775 12.340 392 HD21 ASN 51 HD21 ASN 51 78.705 -1.296 12.604 393 HD22 ASN 51 HD22 ASN 51 79.259 0.144 13.311 394 HA PRO 52 HA PRO 52 77.354 -3.017 7.911 395 HB2 PRO 52 HB2 PRO 52 77.228 -1.822 5.460 396 HB3 PRO 52 HB1 PRO 52 75.843 -2.639 6.205 397 HG2 PRO 52 HG2 PRO 52 76.439 0.265 6.007 398 HG3 PRO 52 HG1 PRO 52 74.888 -0.582 5.920 399 HD2 PRO 52 HD2 PRO 52 75.791 0.760 8.139 400 HD3 PRO 52 HD1 PRO 52 74.605 -0.564 8.171 401 H THR 53 HN THR 53 79.547 -3.257 7.698 402 HA THR 53 HA THR 53 81.381 -1.076 8.061 403 HB THR 53 HB THR 53 82.151 -3.208 8.714 404 HG1 THR 53 HG1 THR 53 83.668 -3.697 6.715 405 HG21 THR 53 HG21 THR 53 80.997 -4.947 7.840 406 HG22 THR 53 HG22 THR 53 82.215 -4.941 6.569 407 HG23 THR 53 HG23 THR 53 80.692 -4.094 6.324 408 HA PRO 54 HA PRO 54 81.638 0.654 4.045 409 HB2 PRO 54 HB2 PRO 54 84.271 1.419 3.987 410 HB3 PRO 54 HB1 PRO 54 83.016 2.271 4.906 411 HG2 PRO 54 HG2 PRO 54 85.016 0.265 5.854 412 HG3 PRO 54 HG1 PRO 54 84.490 1.779 6.612 413 HD2 PRO 54 HD2 PRO 54 83.558 -0.611 7.430 414 HD3 PRO 54 HD1 PRO 54 82.542 0.848 7.441 415 H GLU 55 HN GLU 55 84.416 -1.544 4.761 416 HA GLU 55 HA GLU 55 85.117 -2.023 2.031 417 HB2 GLU 55 HB2 GLU 55 86.763 -3.086 3.149 418 HB3 GLU 55 HB1 GLU 55 85.870 -2.874 4.648 419 HG2 GLU 55 HG2 GLU 55 84.754 -5.080 3.119 420 HG3 GLU 55 HG1 GLU 55 86.480 -5.307 3.367 421 H GLU 56 HN GLU 56 82.674 -3.536 4.119 422 HA GLU 56 HA GLU 56 81.964 -5.540 2.078 423 HB2 GLU 56 HB2 GLU 56 81.258 -4.822 4.874 424 HB3 GLU 56 HB1 GLU 56 79.992 -5.625 3.947 425 HG2 GLU 56 HG2 GLU 56 81.554 -7.439 3.371 426 HG3 GLU 56 HG1 GLU 56 82.831 -6.638 4.287 427 H LEU 57 HN LEU 57 80.794 -2.395 3.215 428 HA LEU 57 HA LEU 57 78.214 -2.251 2.133 429 HB2 LEU 57 HB2 LEU 57 79.544 -0.568 3.506 430 HB3 LEU 57 HB1 LEU 57 80.292 -0.053 1.989 431 HG LEU 57 HG LEU 57 77.850 0.169 1.119 432 HD11 LEU 57 HD11 LEU 57 76.536 0.955 3.361 433 HD12 LEU 57 HD12 LEU 57 77.500 -0.365 4.018 434 HD13 LEU 57 HD13 LEU 57 76.392 -0.663 2.680 435 HD21 LEU 57 HD21 LEU 57 78.986 2.029 3.230 436 HD22 LEU 57 HD22 LEU 57 77.686 2.459 2.117 437 HD23 LEU 57 HD23 LEU 57 79.301 2.102 1.498 438 H GLN 58 HN GLN 58 81.319 -1.939 0.407 439 HA GLN 58 HA GLN 58 80.345 -1.011 -2.112 440 HB2 GLN 58 HB2 GLN 58 82.717 -1.127 -1.390 441 HB3 GLN 58 HB1 GLN 58 82.639 -2.889 -1.418 442 HG2 GLN 58 HG2 GLN 58 83.618 -2.238 -3.506 443 HG3 GLN 58 HG1 GLN 58 81.952 -2.691 -3.865 444 HE21 GLN 58 HE21 GLN 58 80.879 -1.187 -5.153 445 HE22 GLN 58 HE22 GLN 58 81.218 0.476 -5.199 446 H GLU 59 HN GLU 59 81.169 -4.368 -1.161 447 HA GLU 59 HA GLU 59 79.971 -5.689 -3.391 448 HB2 GLU 59 HB2 GLU 59 81.399 -7.033 -2.153 449 HB3 GLU 59 HB1 GLU 59 80.912 -6.313 -0.621 450 HG2 GLU 59 HG2 GLU 59 78.654 -7.716 -1.715 451 HG3 GLU 59 HG1 GLU 59 80.051 -8.789 -1.743 452 H MET 60 HN MET 60 78.649 -4.622 -0.272 453 HA MET 60 HA MET 60 76.093 -5.887 -0.353 454 HB2 MET 60 HB2 MET 60 77.438 -3.590 0.963 455 HB3 MET 60 HB1 MET 60 75.677 -3.532 0.955 456 HG2 MET 60 HG2 MET 60 75.889 -6.053 1.719 457 HG3 MET 60 HG1 MET 60 77.504 -5.554 2.222 458 HE1 MET 60 HE1 MET 60 74.338 -2.787 2.613 459 HE2 MET 60 HE2 MET 60 73.437 -4.073 3.413 460 HE3 MET 60 HE3 MET 60 74.116 -4.349 1.805 461 H ILE 61 HN ILE 61 77.059 -2.616 -1.494 462 HA ILE 61 HA ILE 61 74.454 -2.003 -2.620 463 HB ILE 61 HB ILE 61 77.247 -0.870 -2.745 464 HG12 ILE 61 HG12 ILE 61 74.582 0.310 -1.894 465 HG13 ILE 61 HG11 ILE 61 75.708 -0.485 -0.794 466 HG21 ILE 61 HG21 ILE 61 74.942 -0.245 -4.561 467 HG22 ILE 61 HG22 ILE 61 76.672 -0.274 -4.913 468 HG23 ILE 61 HG23 ILE 61 75.979 1.074 -4.015 469 HD11 ILE 61 HD11 ILE 61 75.893 2.050 -0.873 470 HD12 ILE 61 HD12 ILE 61 76.484 1.877 -2.525 471 HD13 ILE 61 HD13 ILE 61 77.396 1.182 -1.187 472 H ASP 62 HN ASP 62 77.493 -3.293 -4.006 473 HA ASP 62 HA ASP 62 76.703 -3.272 -6.765 474 HB2 ASP 62 HB2 ASP 62 78.692 -4.688 -5.020 475 HB3 ASP 62 HB1 ASP 62 78.430 -5.326 -6.640 476 H GLU 63 HN GLU 63 75.952 -5.456 -4.115 477 HA GLU 63 HA GLU 63 75.074 -7.744 -5.607 478 HB2 GLU 63 HB2 GLU 63 75.291 -6.810 -2.924 479 HB3 GLU 63 HB1 GLU 63 73.629 -7.349 -3.142 480 HG2 GLU 63 HG2 GLU 63 75.662 -9.147 -4.312 481 HG3 GLU 63 HG1 GLU 63 75.720 -9.014 -2.555 482 H VAL 64 HN VAL 64 73.382 -4.783 -4.570 483 HA VAL 64 HA VAL 64 70.811 -5.766 -5.697 484 HB VAL 64 HB VAL 64 69.953 -3.660 -4.679 485 HG11 VAL 64 HG11 VAL 64 70.017 -4.482 -2.515 486 HG12 VAL 64 HG12 VAL 64 71.742 -4.841 -2.589 487 HG13 VAL 64 HG13 VAL 64 70.584 -5.904 -3.392 488 HG21 VAL 64 HG21 VAL 64 72.269 -2.511 -5.097 489 HG22 VAL 64 HG22 VAL 64 72.701 -3.202 -3.537 490 HG23 VAL 64 HG23 VAL 64 71.353 -2.072 -3.657 491 H ASP 65 HN ASP 65 73.515 -3.862 -6.708 492 HA ASP 65 HA ASP 65 72.033 -2.148 -8.566 493 HB2 ASP 65 HB2 ASP 65 74.488 -2.139 -7.306 494 HB3 ASP 65 HB1 ASP 65 74.925 -2.581 -8.954 495 H GLU 66 HN GLU 66 70.893 -3.971 -9.678 496 HA GLU 66 HA GLU 66 72.231 -6.032 -11.162 497 HB2 GLU 66 HB2 GLU 66 69.548 -4.705 -11.090 498 HB3 GLU 66 HB1 GLU 66 69.914 -5.750 -12.463 499 HG2 GLU 66 HG2 GLU 66 70.772 -7.027 -10.020 500 HG3 GLU 66 HG1 GLU 66 69.081 -6.549 -9.881 501 H ASP 67 HN ASP 67 71.384 -2.685 -12.001 502 HA ASP 67 HA ASP 67 71.988 -2.928 -14.834 503 HB2 ASP 67 HB2 ASP 67 71.824 -0.445 -14.719 504 HB3 ASP 67 HB1 ASP 67 70.481 -1.231 -13.894 505 H GLY 68 HN GLY 68 73.930 -2.427 -11.972 506 HA2 GLY 68 HA2 GLY 68 76.262 -2.356 -11.741 507 HA3 GLY 68 HA1 GLY 68 76.386 -2.684 -13.468 508 H SER 69 HN SER 69 75.247 0.026 -11.403 509 HA SER 69 HA SER 69 76.703 1.887 -13.262 510 HB2 SER 69 HB2 SER 69 75.011 3.510 -12.707 511 HB3 SER 69 HB1 SER 69 74.183 2.006 -13.079 512 HG SER 69 HG SER 69 74.255 3.432 -10.770 513 H GLY 70 HN GLY 70 76.280 0.888 -9.901 514 HA2 GLY 70 HA2 GLY 70 78.060 1.198 -8.270 515 HA3 GLY 70 HA1 GLY 70 78.596 2.614 -9.171 516 H THR 71 HN THR 71 75.499 3.241 -9.283 517 HA THR 71 HA THR 71 75.467 4.699 -6.669 518 HB THR 71 HB THR 71 73.864 6.176 -7.981 519 HG1 THR 71 HG1 THR 71 73.627 5.788 -10.117 520 HG21 THR 71 HG21 THR 71 75.695 7.133 -9.417 521 HG22 THR 71 HG22 THR 71 76.675 5.723 -9.011 522 HG23 THR 71 HG23 THR 71 76.177 6.845 -7.746 523 H VAL 72 HN VAL 72 73.632 4.534 -5.324 524 HA VAL 72 HA VAL 72 71.733 2.331 -5.992 525 HB VAL 72 HB VAL 72 72.654 3.724 -3.477 526 HG11 VAL 72 HG11 VAL 72 70.946 2.048 -2.375 527 HG12 VAL 72 HG12 VAL 72 70.114 2.168 -3.926 528 HG13 VAL 72 HG13 VAL 72 70.370 3.616 -2.954 529 HG21 VAL 72 HG21 VAL 72 72.786 0.992 -4.693 530 HG22 VAL 72 HG22 VAL 72 72.750 1.117 -2.932 531 HG23 VAL 72 HG23 VAL 72 74.035 1.902 -3.849 532 H ASP 73 HN ASP 73 69.721 2.834 -6.679 533 HA ASP 73 HA ASP 73 68.660 5.594 -6.251 534 HB2 ASP 73 HB2 ASP 73 67.492 5.235 -8.257 535 HB3 ASP 73 HB1 ASP 73 68.933 4.260 -8.526 536 H PHE 74 HN PHE 74 65.940 5.171 -6.311 537 HA PHE 74 HA PHE 74 65.268 4.306 -3.678 538 HB2 PHE 74 HB2 PHE 74 64.042 5.763 -5.483 539 HB3 PHE 74 HB1 PHE 74 63.353 4.225 -6.005 540 HD1 PHE 74 HD2 PHE 74 63.971 6.183 -2.864 541 HD2 PHE 74 HD1 PHE 74 61.396 3.474 -4.982 542 HE1 PHE 74 HE2 PHE 74 62.340 6.275 -0.999 543 HE2 PHE 74 HE1 PHE 74 59.764 3.566 -3.120 544 HZ PHE 74 HZ PHE 74 60.234 4.967 -1.127 545 H ASP 75 HN ASP 75 65.011 2.568 -6.799 546 HA ASP 75 HA ASP 75 63.773 0.179 -5.852 547 HB2 ASP 75 HB2 ASP 75 64.336 1.119 -8.233 548 HB3 ASP 75 HB1 ASP 75 65.860 0.258 -8.025 549 H GLU 76 HN GLU 76 67.264 0.911 -6.307 550 HA GLU 76 HA GLU 76 68.283 -1.569 -5.309 551 HB2 GLU 76 HB2 GLU 76 69.211 1.161 -5.923 552 HB3 GLU 76 HB1 GLU 76 70.169 0.357 -4.685 553 HG2 GLU 76 HG2 GLU 76 71.182 -0.913 -6.245 554 HG3 GLU 76 HG1 GLU 76 69.623 -1.513 -6.808 555 H PHE 77 HN PHE 77 67.614 1.536 -3.626 556 HA PHE 77 HA PHE 77 68.523 0.800 -1.027 557 HB2 PHE 77 HB2 PHE 77 67.936 3.089 -1.706 558 HB3 PHE 77 HB1 PHE 77 66.255 2.608 -1.932 559 HD1 PHE 77 HD1 PHE 77 68.934 2.527 0.717 560 HD2 PHE 77 HD2 PHE 77 64.754 2.944 -0.189 561 HE1 PHE 77 HE1 PHE 77 68.458 2.969 3.105 562 HE2 PHE 77 HE2 PHE 77 64.282 3.385 2.205 563 HZ PHE 77 HZ PHE 77 66.130 3.399 3.849 564 H LEU 78 HN LEU 78 65.373 0.274 -2.622 565 HA LEU 78 HA LEU 78 63.960 -0.799 -0.373 566 HB2 LEU 78 HB2 LEU 78 63.728 -0.618 -3.295 567 HB3 LEU 78 HB1 LEU 78 62.979 -2.074 -2.638 568 HG LEU 78 HG LEU 78 62.428 0.386 -1.098 569 HD11 LEU 78 HD11 LEU 78 62.283 1.439 -3.233 570 HD12 LEU 78 HD12 LEU 78 60.626 1.012 -2.803 571 HD13 LEU 78 HD13 LEU 78 61.521 0.025 -3.959 572 HD21 LEU 78 HD21 LEU 78 61.384 -1.850 -0.705 573 HD22 LEU 78 HD22 LEU 78 60.646 -1.752 -2.303 574 HD23 LEU 78 HD23 LEU 78 60.193 -0.595 -1.049 575 H VAL 79 HN VAL 79 66.015 -2.366 -2.841 576 HA VAL 79 HA VAL 79 65.586 -5.067 -1.874 577 HB VAL 79 HB VAL 79 67.824 -3.815 -3.517 578 HG11 VAL 79 HG11 VAL 79 68.365 -6.042 -4.237 579 HG12 VAL 79 HG12 VAL 79 66.932 -6.712 -3.455 580 HG13 VAL 79 HG13 VAL 79 68.267 -6.105 -2.476 581 HG21 VAL 79 HG21 VAL 79 65.345 -3.671 -4.308 582 HG22 VAL 79 HG22 VAL 79 65.488 -5.410 -4.565 583 HG23 VAL 79 HG23 VAL 79 66.545 -4.299 -5.440 584 H MET 80 HN MET 80 68.049 -2.556 -1.278 585 HA MET 80 HA MET 80 69.829 -4.108 0.361 586 HB2 MET 80 HB2 MET 80 69.114 -1.163 0.154 587 HB3 MET 80 HB1 MET 80 70.394 -1.745 1.215 588 HG2 MET 80 HG2 MET 80 70.624 -2.874 -1.452 589 HG3 MET 80 HG1 MET 80 70.648 -1.113 -1.494 590 HE1 MET 80 HE1 MET 80 71.592 0.106 0.446 591 HE2 MET 80 HE2 MET 80 73.330 0.040 0.714 592 HE3 MET 80 HE3 MET 80 72.248 -0.815 1.806 593 H MET 81 HN MET 81 67.146 -1.908 1.182 594 HA MET 81 HA MET 81 67.162 -2.158 3.995 595 HB2 MET 81 HB2 MET 81 65.148 -1.538 1.862 596 HB3 MET 81 HB1 MET 81 64.573 -1.750 3.518 597 HG2 MET 81 HG2 MET 81 66.913 0.058 2.911 598 HG3 MET 81 HG1 MET 81 65.252 0.640 2.783 599 HE1 MET 81 HE1 MET 81 68.151 0.051 4.435 600 HE2 MET 81 HE2 MET 81 67.864 -0.717 5.997 601 HE3 MET 81 HE3 MET 81 67.902 1.039 5.879 602 H VAL 82 HN VAL 82 65.182 -4.095 1.668 603 HA VAL 82 HA VAL 82 64.073 -5.835 3.666 604 HB VAL 82 HB VAL 82 63.481 -5.331 1.138 605 HG11 VAL 82 HG11 VAL 82 64.200 -7.087 -0.394 606 HG12 VAL 82 HG12 VAL 82 65.135 -7.862 0.887 607 HG13 VAL 82 HG13 VAL 82 65.619 -6.282 0.271 608 HG21 VAL 82 HG21 VAL 82 63.173 -8.029 2.484 609 HG22 VAL 82 HG22 VAL 82 62.257 -7.526 1.061 610 HG23 VAL 82 HG23 VAL 82 62.065 -6.661 2.585 611 H ARG 83 HN ARG 83 67.141 -5.966 1.892 612 HA ARG 83 HA ARG 83 67.799 -8.722 2.438 613 HB2 ARG 83 HB2 ARG 83 69.195 -6.207 1.606 614 HB3 ARG 83 HB1 ARG 83 70.195 -7.554 2.141 615 HG2 ARG 83 HG2 ARG 83 69.204 -9.016 0.464 616 HG3 ARG 83 HG1 ARG 83 68.075 -7.747 -0.019 617 HD2 ARG 83 HD2 ARG 83 69.657 -6.645 -1.256 618 HD3 ARG 83 HD1 ARG 83 70.931 -6.941 -0.060 619 HE ARG 83 HE ARG 83 71.235 -9.182 -1.009 620 HH11 ARG 83 HH11 ARG 83 68.370 -9.343 -2.089 621 HH12 ARG 83 HH12 ARG 83 68.659 -9.270 -3.792 622 HH21 ARG 83 HH21 ARG 83 71.882 -8.057 -3.444 623 HH22 ARG 83 HH22 ARG 83 70.665 -8.565 -4.561 624 H SER 84 HN SER 84 68.612 -5.687 4.149 625 HA SER 84 HA SER 84 69.934 -7.184 6.338 626 HB2 SER 84 HB2 SER 84 70.512 -4.881 5.163 627 HB3 SER 84 HB1 SER 84 69.368 -4.239 6.336 628 HG SER 84 HG SER 84 70.765 -4.595 7.874 629 H MET 85 HN MET 85 66.746 -6.113 5.621 630 HA MET 85 HA MET 85 65.730 -5.255 8.129 631 HB2 MET 85 HB2 MET 85 64.615 -5.300 5.850 632 HB3 MET 85 HB1 MET 85 64.340 -7.024 6.095 633 HG2 MET 85 HG2 MET 85 63.051 -6.547 8.134 634 HG3 MET 85 HG1 MET 85 63.352 -4.821 7.932 635 HE1 MET 85 HE1 MET 85 61.188 -3.527 7.263 636 HE2 MET 85 HE2 MET 85 61.043 -3.510 5.509 637 HE3 MET 85 HE3 MET 85 62.635 -3.406 6.256 638 H LYS 86 HN LYS 86 66.028 -8.577 6.835 639 HA LYS 86 HA LYS 86 64.847 -9.998 8.999 640 HB2 LYS 86 HB2 LYS 86 66.372 -10.480 6.621 641 HB3 LYS 86 HB1 LYS 86 67.086 -11.432 7.924 642 HG2 LYS 86 HG2 LYS 86 64.739 -12.238 8.473 643 HG3 LYS 86 HG1 LYS 86 64.212 -11.473 6.973 644 HD2 LYS 86 HD2 LYS 86 65.547 -12.918 5.638 645 HD3 LYS 86 HD1 LYS 86 66.486 -13.465 7.028 646 HE2 LYS 86 HE2 LYS 86 64.990 -15.259 6.680 647 HE3 LYS 86 HE1 LYS 86 64.156 -14.305 7.925 648 HZ1 LYS 86 HZ1 LYS 86 63.773 -13.787 5.028 649 HZ2 LYS 86 HZ2 LYS 86 62.811 -13.260 6.326 650 HZ3 LYS 86 HZ3 LYS 86 62.804 -14.897 5.868 651 H ASP 87 HN ASP 87 68.147 -8.738 8.591 652 HA ASP 87 HA ASP 87 69.334 -10.023 10.878 653 HB2 ASP 87 HB2 ASP 87 70.514 -9.009 8.923 654 HB3 ASP 87 HB1 ASP 87 70.018 -7.414 9.482 655 H ASP 88 HN ASP 88 67.645 -6.907 10.465 656 HA ASP 88 HA ASP 88 68.185 -6.018 13.207 657 HB2 ASP 88 HB2 ASP 88 67.820 -4.626 11.085 658 HB3 ASP 88 HB1 ASP 88 66.108 -5.016 11.242 659 H SER 89 HN SER 89 65.175 -6.969 11.465 660 HA SER 89 HA SER 89 64.170 -8.315 13.905 661 HB2 SER 89 HB2 SER 89 63.372 -5.635 12.936 662 HB3 SER 89 HB1 SER 89 62.035 -6.708 13.342 663 HG SER 89 HG SER 89 64.199 -5.863 14.971 Start of MODEL 15 1 H1 MET 1 HT1 MET 1 63.637 -17.005 -6.647 2 H2 MET 1 HT2 MET 1 64.361 -17.766 -7.982 3 H3 MET 1 HT3 MET 1 63.690 -16.214 -8.146 4 HA MET 1 HA MET 1 66.105 -16.943 -6.561 5 HB2 MET 1 HB2 MET 1 65.622 -16.363 -9.289 6 HB3 MET 1 HB1 MET 1 66.332 -14.898 -8.611 7 HG2 MET 1 HG2 MET 1 67.525 -17.619 -8.078 8 HG3 MET 1 HG1 MET 1 67.954 -16.685 -9.510 9 HE1 MET 1 HE1 MET 1 70.288 -16.704 -8.991 10 HE2 MET 1 HE2 MET 1 71.016 -15.312 -8.195 11 HE3 MET 1 HE3 MET 1 69.891 -15.066 -9.528 12 H ASP 2 HN ASP 2 66.434 -15.593 -4.845 13 HA ASP 2 HA ASP 2 66.184 -13.768 -3.369 14 HB2 ASP 2 HB2 ASP 2 67.342 -12.968 -5.614 15 HB3 ASP 2 HB1 ASP 2 65.853 -12.046 -5.808 16 H ASP 3 HN ASP 3 63.690 -15.142 -4.092 17 HA ASP 3 HA ASP 3 61.624 -13.127 -4.590 18 HB2 ASP 3 HB2 ASP 3 61.831 -16.062 -4.016 19 HB3 ASP 3 HB1 ASP 3 60.268 -15.288 -3.771 20 H ILE 4 HN ILE 4 63.106 -14.617 -1.750 21 HA ILE 4 HA ILE 4 61.177 -14.044 0.242 22 HB ILE 4 HB ILE 4 63.327 -15.402 0.350 23 HG12 ILE 4 HG12 ILE 4 63.321 -13.483 2.645 24 HG13 ILE 4 HG11 ILE 4 61.844 -14.383 2.304 25 HG21 ILE 4 HG21 ILE 4 64.625 -12.757 1.033 26 HG22 ILE 4 HG22 ILE 4 64.714 -13.450 -0.584 27 HG23 ILE 4 HG23 ILE 4 65.404 -14.318 0.785 28 HD11 ILE 4 HD11 ILE 4 64.210 -16.091 2.189 29 HD12 ILE 4 HD12 ILE 4 62.716 -16.302 3.106 30 HD13 ILE 4 HD13 ILE 4 64.020 -15.318 3.762 31 H TYR 5 HN TYR 5 63.593 -11.918 -1.263 32 HA TYR 5 HA TYR 5 62.871 -9.676 0.543 33 HB2 TYR 5 HB2 TYR 5 64.883 -10.075 -1.695 34 HB3 TYR 5 HB1 TYR 5 64.698 -8.555 -0.822 35 HD1 TYR 5 HD2 TYR 5 64.369 -9.187 1.930 36 HD2 TYR 5 HD1 TYR 5 66.776 -11.235 -0.983 37 HE1 TYR 5 HE2 TYR 5 65.832 -10.043 3.738 38 HE2 TYR 5 HE1 TYR 5 68.239 -12.089 0.831 39 HH TYR 5 HH TYR 5 68.501 -10.872 3.710 40 H LYS 6 HN LYS 6 62.529 -10.662 -2.871 41 HA LYS 6 HA LYS 6 61.455 -8.247 -3.958 42 HB2 LYS 6 HB2 LYS 6 61.301 -11.190 -4.546 43 HB3 LYS 6 HB1 LYS 6 60.249 -10.097 -5.443 44 HG2 LYS 6 HG2 LYS 6 62.418 -8.715 -5.864 45 HG3 LYS 6 HG1 LYS 6 63.260 -10.193 -5.397 46 HD2 LYS 6 HD2 LYS 6 61.053 -10.540 -7.352 47 HD3 LYS 6 HD1 LYS 6 62.469 -9.673 -7.944 48 HE2 LYS 6 HE2 LYS 6 63.543 -11.651 -8.192 49 HE3 LYS 6 HE1 LYS 6 63.409 -11.922 -6.444 50 HZ1 LYS 6 HZ1 LYS 6 62.247 -13.679 -7.559 51 HZ2 LYS 6 HZ2 LYS 6 61.373 -12.580 -8.513 52 HZ3 LYS 6 HZ3 LYS 6 61.087 -12.672 -6.841 53 H ALA 7 HN ALA 7 59.859 -10.991 -2.320 54 HA ALA 7 HA ALA 7 57.168 -9.923 -2.620 55 HB1 ALA 7 HB1 ALA 7 58.489 -12.083 -0.957 56 HB2 ALA 7 HB2 ALA 7 57.465 -12.281 -2.380 57 HB3 ALA 7 HB3 ALA 7 56.760 -11.749 -0.855 58 H ALA 8 HN ALA 8 59.653 -9.839 -0.061 59 HA ALA 8 HA ALA 8 58.151 -8.750 2.080 60 HB1 ALA 8 HB1 ALA 8 60.353 -7.983 2.864 61 HB2 ALA 8 HB2 ALA 8 61.008 -8.155 1.236 62 HB3 ALA 8 HB3 ALA 8 60.502 -9.583 2.138 63 H VAL 9 HN VAL 9 59.916 -6.997 -0.513 64 HA VAL 9 HA VAL 9 59.313 -4.344 0.308 65 HB VAL 9 HB VAL 9 59.699 -5.624 -2.417 66 HG11 VAL 9 HG11 VAL 9 59.465 -2.729 -1.589 67 HG12 VAL 9 HG12 VAL 9 58.651 -3.561 -2.914 68 HG13 VAL 9 HG13 VAL 9 60.374 -3.203 -3.024 69 HG21 VAL 9 HG21 VAL 9 61.613 -5.808 -0.856 70 HG22 VAL 9 HG22 VAL 9 61.570 -4.065 -0.598 71 HG23 VAL 9 HG23 VAL 9 61.985 -4.709 -2.183 72 H GLU 10 HN GLU 10 57.424 -6.564 -1.774 73 HA GLU 10 HA GLU 10 55.277 -4.650 -2.266 74 HB2 GLU 10 HB2 GLU 10 55.921 -6.531 -3.768 75 HB3 GLU 10 HB1 GLU 10 55.409 -7.677 -2.527 76 HG2 GLU 10 HG2 GLU 10 53.200 -7.372 -2.974 77 HG3 GLU 10 HG1 GLU 10 53.386 -5.635 -3.211 78 H GLN 11 HN GLN 11 55.833 -7.299 0.030 79 HA GLN 11 HA GLN 11 53.167 -7.299 1.175 80 HB2 GLN 11 HB2 GLN 11 55.890 -8.379 1.887 81 HB3 GLN 11 HB1 GLN 11 54.539 -8.550 3.008 82 HG2 GLN 11 HG2 GLN 11 53.644 -9.272 0.372 83 HG3 GLN 11 HG1 GLN 11 55.122 -10.163 0.734 84 HE21 GLN 11 HE21 GLN 11 52.137 -9.184 2.517 85 HE22 GLN 11 HE22 GLN 11 51.927 -10.686 3.277 86 H LEU 12 HN LEU 12 56.038 -5.341 1.715 87 HA LEU 12 HA LEU 12 55.663 -4.521 4.405 88 HB2 LEU 12 HB2 LEU 12 56.841 -3.318 1.912 89 HB3 LEU 12 HB1 LEU 12 56.726 -2.331 3.368 90 HG LEU 12 HG LEU 12 58.019 -5.072 3.279 91 HD11 LEU 12 HD11 LEU 12 59.300 -3.455 1.930 92 HD12 LEU 12 HD12 LEU 12 60.155 -3.827 3.427 93 HD13 LEU 12 HD13 LEU 12 59.277 -2.308 3.272 94 HD21 LEU 12 HD21 LEU 12 57.760 -4.862 5.518 95 HD22 LEU 12 HD22 LEU 12 57.272 -3.174 5.380 96 HD23 LEU 12 HD23 LEU 12 58.981 -3.596 5.431 97 H THR 13 HN THR 13 54.411 -2.886 5.343 98 HA THR 13 HA THR 13 51.923 -2.203 3.975 99 HB THR 13 HB THR 13 51.588 -0.942 6.183 100 HG1 THR 13 HG1 THR 13 53.224 -1.695 7.765 101 HG21 THR 13 HG21 THR 13 51.921 -3.311 7.455 102 HG22 THR 13 HG22 THR 13 52.019 -3.852 5.781 103 HG23 THR 13 HG23 THR 13 50.587 -2.993 6.345 104 H GLU 14 HN GLU 14 51.157 0.123 3.967 105 HA GLU 14 HA GLU 14 52.806 1.801 2.372 106 HB2 GLU 14 HB2 GLU 14 50.190 1.706 3.161 107 HB3 GLU 14 HB1 GLU 14 50.767 3.083 4.102 108 HG2 GLU 14 HG2 GLU 14 51.767 3.997 1.956 109 HG3 GLU 14 HG1 GLU 14 50.886 2.734 1.097 110 H GLU 15 HN GLU 15 52.224 1.831 5.916 111 HA GLU 15 HA GLU 15 53.612 4.191 6.630 112 HB2 GLU 15 HB2 GLU 15 53.143 1.514 7.944 113 HB3 GLU 15 HB1 GLU 15 54.091 2.752 8.768 114 HG2 GLU 15 HG2 GLU 15 51.534 3.696 7.603 115 HG3 GLU 15 HG1 GLU 15 51.377 2.564 8.944 116 H GLN 16 HN GLN 16 54.957 0.871 6.251 117 HA GLN 16 HA GLN 16 57.688 1.638 6.841 118 HB2 GLN 16 HB2 GLN 16 56.501 -0.682 5.270 119 HB3 GLN 16 HB1 GLN 16 58.164 -0.609 5.851 120 HG2 GLN 16 HG2 GLN 16 56.738 -0.035 8.136 121 HG3 GLN 16 HG1 GLN 16 55.687 -1.195 7.329 122 HE21 GLN 16 HE21 GLN 16 56.144 -3.296 7.976 123 HE22 GLN 16 HE22 GLN 16 57.684 -3.887 8.368 124 H LYS 17 HN LYS 17 55.916 1.104 3.774 125 HA LYS 17 HA LYS 17 58.053 1.696 1.981 126 HB2 LYS 17 HB2 LYS 17 55.093 1.527 1.956 127 HB3 LYS 17 HB1 LYS 17 55.790 2.514 0.665 128 HG2 LYS 17 HG2 LYS 17 57.319 0.636 0.096 129 HG3 LYS 17 HG1 LYS 17 56.536 -0.355 1.328 130 HD2 LYS 17 HD2 LYS 17 54.853 0.962 -0.783 131 HD3 LYS 17 HD1 LYS 17 55.749 -0.501 -1.188 132 HE2 LYS 17 HE2 LYS 17 54.382 -0.758 1.385 133 HE3 LYS 17 HE1 LYS 17 53.254 -0.424 0.057 134 HZ1 LYS 17 HZ1 LYS 17 53.647 -2.775 0.112 135 HZ2 LYS 17 HZ2 LYS 17 55.333 -2.555 0.143 136 HZ3 LYS 17 HZ3 LYS 17 54.446 -2.156 -1.250 137 H ASN 18 HN ASN 18 55.690 3.896 3.564 138 HA ASN 18 HA ASN 18 56.553 6.283 2.177 139 HB2 ASN 18 HB2 ASN 18 54.692 7.005 3.244 140 HB3 ASN 18 HB1 ASN 18 54.629 5.497 4.148 141 HD21 ASN 18 HD21 ASN 18 55.849 8.851 4.273 142 HD22 ASN 18 HD22 ASN 18 56.100 8.867 5.949 143 H GLU 19 HN GLU 19 57.628 4.675 5.157 144 HA GLU 19 HA GLU 19 59.277 6.738 6.214 145 HB2 GLU 19 HB2 GLU 19 59.176 3.737 6.318 146 HB3 GLU 19 HB1 GLU 19 60.571 4.559 7.022 147 HG2 GLU 19 HG2 GLU 19 57.822 5.551 7.691 148 HG3 GLU 19 HG1 GLU 19 58.423 4.097 8.490 149 H PHE 20 HN PHE 20 59.972 4.216 3.782 150 HA PHE 20 HA PHE 20 62.754 4.781 3.403 151 HB2 PHE 20 HB2 PHE 20 60.618 3.771 1.482 152 HB3 PHE 20 HB1 PHE 20 62.357 3.631 1.216 153 HD1 PHE 20 HD1 PHE 20 63.275 3.036 3.997 154 HD2 PHE 20 HD2 PHE 20 59.939 1.515 1.758 155 HE1 PHE 20 HE1 PHE 20 63.304 0.972 5.363 156 HE2 PHE 20 HE2 PHE 20 59.970 -0.554 3.126 157 HZ PHE 20 HZ PHE 20 61.654 -0.825 4.927 158 H LYS 21 HN LYS 21 59.835 6.072 1.795 159 HA LYS 21 HA LYS 21 61.208 7.828 -0.032 160 HB2 LYS 21 HB2 LYS 21 58.714 6.936 0.194 161 HB3 LYS 21 HB1 LYS 21 58.495 8.423 1.119 162 HG2 LYS 21 HG2 LYS 21 59.774 8.405 -1.624 163 HG3 LYS 21 HG1 LYS 21 58.032 8.569 -1.400 164 HD2 LYS 21 HD2 LYS 21 60.141 10.401 -0.213 165 HD3 LYS 21 HD1 LYS 21 59.116 10.780 -1.593 166 HE2 LYS 21 HE2 LYS 21 57.134 10.248 0.041 167 HE3 LYS 21 HE1 LYS 21 58.347 10.523 1.307 168 HZ1 LYS 21 HZ1 LYS 21 57.612 12.373 -0.897 169 HZ2 LYS 21 HZ2 LYS 21 58.949 12.615 0.126 170 HZ3 LYS 21 HZ3 LYS 21 57.371 12.624 0.760 171 H ALA 22 HN ALA 22 59.729 8.393 3.195 172 HA ALA 22 HA ALA 22 60.260 11.168 3.446 173 HB1 ALA 22 HB1 ALA 22 60.172 10.622 5.906 174 HB2 ALA 22 HB2 ALA 22 60.216 8.910 5.479 175 HB3 ALA 22 HB3 ALA 22 58.850 9.911 4.982 176 H ALA 23 HN ALA 23 62.349 8.365 4.184 177 HA ALA 23 HA ALA 23 64.562 9.951 5.216 178 HB1 ALA 23 HB1 ALA 23 65.697 7.617 4.601 179 HB2 ALA 23 HB2 ALA 23 64.020 7.112 4.391 180 HB3 ALA 23 HB3 ALA 23 64.566 7.733 5.950 181 H PHE 24 HN PHE 24 63.881 8.306 2.112 182 HA PHE 24 HA PHE 24 66.264 8.941 0.716 183 HB2 PHE 24 HB2 PHE 24 64.074 7.521 0.209 184 HB3 PHE 24 HB1 PHE 24 63.600 8.984 -0.652 185 HD1 PHE 24 HD1 PHE 24 66.390 6.505 -0.330 186 HD2 PHE 24 HD2 PHE 24 64.461 9.442 -2.808 187 HE1 PHE 24 HE1 PHE 24 67.850 5.862 -2.230 188 HE2 PHE 24 HE2 PHE 24 65.923 8.794 -4.702 189 HZ PHE 24 HZ PHE 24 67.616 7.010 -4.416 190 H ASP 25 HN ASP 25 63.399 10.946 1.326 191 HA ASP 25 HA ASP 25 63.775 13.029 -0.536 192 HB2 ASP 25 HB2 ASP 25 62.278 12.474 1.832 193 HB3 ASP 25 HB1 ASP 25 62.972 14.085 2.010 194 H ILE 26 HN ILE 26 65.526 12.424 2.501 195 HA ILE 26 HA ILE 26 66.760 15.001 2.761 196 HB ILE 26 HB ILE 26 67.356 12.200 3.730 197 HG12 ILE 26 HG12 ILE 26 66.972 14.135 5.787 198 HG13 ILE 26 HG11 ILE 26 65.730 14.422 4.571 199 HG21 ILE 26 HG21 ILE 26 68.922 14.744 4.268 200 HG22 ILE 26 HG22 ILE 26 69.542 13.234 3.600 201 HG23 ILE 26 HG23 ILE 26 69.025 13.306 5.283 202 HD11 ILE 26 HD11 ILE 26 66.039 11.576 5.047 203 HD12 ILE 26 HD12 ILE 26 64.599 12.580 5.207 204 HD13 ILE 26 HD13 ILE 26 65.722 12.431 6.557 205 H PHE 27 HN PHE 27 67.871 12.040 1.060 206 HA PHE 27 HA PHE 27 70.286 13.537 0.156 207 HB2 PHE 27 HB2 PHE 27 70.155 10.839 -0.873 208 HB3 PHE 27 HB1 PHE 27 71.316 11.533 0.249 209 HD1 PHE 27 HD1 PHE 27 70.653 11.664 2.730 210 HD2 PHE 27 HD2 PHE 27 68.575 9.244 -0.145 211 HE1 PHE 27 HE1 PHE 27 69.720 10.290 4.570 212 HE2 PHE 27 HE2 PHE 27 67.634 7.871 1.697 213 HZ PHE 27 HZ PHE 27 68.207 8.392 4.051 214 H VAL 28 HN VAL 28 67.281 12.195 -1.121 215 HA VAL 28 HA VAL 28 67.976 12.345 -3.917 216 HB VAL 28 HB VAL 28 66.010 11.193 -2.576 217 HG11 VAL 28 HG11 VAL 28 65.153 13.473 -1.826 218 HG12 VAL 28 HG12 VAL 28 63.948 12.403 -2.547 219 HG13 VAL 28 HG13 VAL 28 64.629 13.726 -3.491 220 HG21 VAL 28 HG21 VAL 28 65.822 12.419 -5.339 221 HG22 VAL 28 HG22 VAL 28 64.616 11.292 -4.720 222 HG23 VAL 28 HG23 VAL 28 66.290 10.771 -4.918 223 H GLN 29 HN GLN 29 66.899 14.770 -1.592 224 HA GLN 29 HA GLN 29 65.995 16.746 -3.494 225 HB2 GLN 29 HB2 GLN 29 66.690 16.544 -0.617 226 HB3 GLN 29 HB1 GLN 29 66.864 18.153 -1.313 227 HG2 GLN 29 HG2 GLN 29 64.558 18.083 -2.140 228 HG3 GLN 29 HG1 GLN 29 64.370 16.438 -1.533 229 HE21 GLN 29 HE21 GLN 29 63.468 16.298 0.534 230 HE22 GLN 29 HE22 GLN 29 63.482 17.546 1.685 231 H GLY 30 HN GLY 30 69.157 15.999 -2.038 232 HA2 GLY 30 HA2 GLY 30 70.478 18.267 -3.341 233 HA3 GLY 30 HA1 GLY 30 71.273 16.995 -2.412 234 H ALA 31 HN ALA 31 70.048 14.796 -3.966 235 HA ALA 31 HA ALA 31 71.906 14.880 -6.271 236 HB1 ALA 31 HB1 ALA 31 70.071 12.653 -5.344 237 HB2 ALA 31 HB2 ALA 31 71.630 12.981 -4.587 238 HB3 ALA 31 HB3 ALA 31 71.558 12.504 -6.283 239 H GLU 32 HN GLU 32 71.005 16.026 -7.956 240 HA GLU 32 HA GLU 32 68.233 16.189 -8.626 241 HB2 GLU 32 HB2 GLU 32 70.414 17.529 -9.323 242 HB3 GLU 32 HB1 GLU 32 70.417 16.404 -10.682 243 HG2 GLU 32 HG2 GLU 32 68.366 17.182 -11.498 244 HG3 GLU 32 HG1 GLU 32 67.883 17.842 -9.935 245 H ASP 33 HN ASP 33 70.740 13.866 -9.605 246 HA ASP 33 HA ASP 33 69.303 12.608 -11.751 247 HB2 ASP 33 HB2 ASP 33 71.586 11.944 -9.913 248 HB3 ASP 33 HB1 ASP 33 70.942 10.681 -10.960 249 H GLY 34 HN GLY 34 69.242 12.117 -8.233 250 HA2 GLY 34 HA2 GLY 34 67.323 11.183 -7.094 251 HA3 GLY 34 HA1 GLY 34 66.866 10.365 -8.583 252 H SER 35 HN SER 35 70.161 9.882 -8.217 253 HA SER 35 HA SER 35 69.705 7.312 -6.722 254 HB2 SER 35 HB2 SER 35 70.062 7.206 -9.242 255 HB3 SER 35 HB1 SER 35 71.680 7.842 -8.961 256 HG SER 35 HG SER 35 70.546 5.389 -8.126 257 H ILE 36 HN ILE 36 71.368 6.693 -5.275 258 HA ILE 36 HA ILE 36 73.355 8.848 -4.649 259 HB ILE 36 HB ILE 36 72.185 6.613 -2.953 260 HG12 ILE 36 HG12 ILE 36 71.666 9.473 -2.347 261 HG13 ILE 36 HG11 ILE 36 70.881 8.847 -3.797 262 HG21 ILE 36 HG21 ILE 36 73.852 9.006 -2.129 263 HG22 ILE 36 HG22 ILE 36 74.487 7.374 -2.308 264 HG23 ILE 36 HG23 ILE 36 73.269 7.714 -1.079 265 HD11 ILE 36 HD11 ILE 36 69.759 7.134 -2.575 266 HD12 ILE 36 HD12 ILE 36 69.559 8.603 -1.622 267 HD13 ILE 36 HD13 ILE 36 70.756 7.400 -1.145 268 H SER 37 HN SER 37 75.531 8.322 -4.613 269 HA SER 37 HA SER 37 76.371 5.790 -5.838 270 HB2 SER 37 HB2 SER 37 77.381 7.989 -6.356 271 HB3 SER 37 HB1 SER 37 77.899 8.150 -4.680 272 HG SER 37 HG SER 37 79.425 7.251 -6.355 273 H THR 38 HN THR 38 78.352 4.664 -4.719 274 HA THR 38 HA THR 38 77.515 3.512 -2.234 275 HB THR 38 HB THR 38 79.860 2.576 -2.273 276 HG1 THR 38 HG1 THR 38 81.275 3.324 -3.684 277 HG21 THR 38 HG21 THR 38 78.079 1.454 -3.504 278 HG22 THR 38 HG22 THR 38 79.573 1.390 -4.438 279 HG23 THR 38 HG23 THR 38 78.309 2.539 -4.876 280 H LYS 39 HN LYS 39 79.860 6.104 -2.941 281 HA LYS 39 HA LYS 39 80.989 6.413 -0.350 282 HB2 LYS 39 HB2 LYS 39 81.730 7.415 -2.530 283 HB3 LYS 39 HB1 LYS 39 80.380 8.544 -2.418 284 HG2 LYS 39 HG2 LYS 39 81.251 9.364 -0.252 285 HG3 LYS 39 HG1 LYS 39 82.620 8.256 -0.393 286 HD2 LYS 39 HD2 LYS 39 83.712 9.652 -1.793 287 HD3 LYS 39 HD1 LYS 39 82.288 9.848 -2.813 288 HE2 LYS 39 HE2 LYS 39 82.225 11.228 -0.161 289 HE3 LYS 39 HE1 LYS 39 83.299 11.906 -1.404 290 HZ1 LYS 39 HZ1 LYS 39 81.114 12.828 -1.696 291 HZ2 LYS 39 HZ2 LYS 39 80.402 11.284 -1.700 292 HZ3 LYS 39 HZ3 LYS 39 81.413 11.765 -2.980 293 H GLU 40 HN GLU 40 77.947 7.692 -1.681 294 HA GLU 40 HA GLU 40 77.450 9.240 0.803 295 HB2 GLU 40 HB2 GLU 40 75.999 8.921 -1.842 296 HB3 GLU 40 HB1 GLU 40 75.426 9.959 -0.536 297 HG2 GLU 40 HG2 GLU 40 77.989 10.223 -2.128 298 HG3 GLU 40 HG1 GLU 40 76.674 11.389 -1.997 299 H LEU 41 HN LEU 41 76.631 6.162 -0.595 300 HA LEU 41 HA LEU 41 74.087 5.677 0.620 301 HB2 LEU 41 HB2 LEU 41 75.858 4.391 -1.062 302 HB3 LEU 41 HB1 LEU 41 75.917 3.391 0.388 303 HG LEU 41 HG LEU 41 74.149 2.605 -1.149 304 HD11 LEU 41 HD11 LEU 41 72.339 3.694 0.832 305 HD12 LEU 41 HD12 LEU 41 73.857 3.204 1.585 306 HD13 LEU 41 HD13 LEU 41 72.924 2.039 0.651 307 HD21 LEU 41 HD21 LEU 41 72.687 5.196 -0.641 308 HD22 LEU 41 HD22 LEU 41 72.356 3.964 -1.859 309 HD23 LEU 41 HD23 LEU 41 73.760 5.015 -2.032 310 H GLY 42 HN GLY 42 77.402 5.325 1.857 311 HA2 GLY 42 HA2 GLY 42 76.876 3.800 4.187 312 HA3 GLY 42 HA1 GLY 42 78.186 4.977 4.048 313 H LYS 43 HN LYS 43 76.584 7.294 3.609 314 HA LYS 43 HA LYS 43 75.895 8.006 6.329 315 HB2 LYS 43 HB2 LYS 43 75.488 9.300 3.611 316 HB3 LYS 43 HB1 LYS 43 75.113 10.112 5.130 317 HG2 LYS 43 HG2 LYS 43 77.412 10.006 5.848 318 HG3 LYS 43 HG1 LYS 43 77.838 8.940 4.507 319 HD2 LYS 43 HD2 LYS 43 76.750 11.044 3.153 320 HD3 LYS 43 HD1 LYS 43 77.469 11.873 4.535 321 HE2 LYS 43 HE2 LYS 43 79.619 10.592 4.060 322 HE3 LYS 43 HE1 LYS 43 78.872 10.076 2.534 323 HZ1 LYS 43 HZ1 LYS 43 78.350 12.503 2.169 324 HZ2 LYS 43 HZ2 LYS 43 79.989 12.074 2.045 325 HZ3 LYS 43 HZ3 LYS 43 79.414 12.847 3.444 326 H VAL 44 HN VAL 44 74.009 7.174 3.425 327 HA VAL 44 HA VAL 44 71.385 7.721 4.425 328 HB VAL 44 HB VAL 44 72.560 5.815 2.386 329 HG11 VAL 44 HG11 VAL 44 70.121 5.636 1.572 330 HG12 VAL 44 HG12 VAL 44 69.665 6.201 3.179 331 HG13 VAL 44 HG13 VAL 44 70.552 4.684 2.998 332 HG21 VAL 44 HG21 VAL 44 71.656 7.410 0.793 333 HG22 VAL 44 HG22 VAL 44 72.584 8.299 2.002 334 HG23 VAL 44 HG23 VAL 44 70.823 8.280 2.081 335 H MET 45 HN MET 45 73.382 4.769 4.549 336 HA MET 45 HA MET 45 71.404 3.120 5.856 337 HB2 MET 45 HB2 MET 45 74.434 2.969 5.754 338 HB3 MET 45 HB1 MET 45 73.362 1.640 6.182 339 HG2 MET 45 HG2 MET 45 72.441 2.709 3.708 340 HG3 MET 45 HG1 MET 45 74.183 2.475 3.573 341 HE1 MET 45 HE1 MET 45 71.210 0.074 5.457 342 HE2 MET 45 HE2 MET 45 70.755 -0.289 3.792 343 HE3 MET 45 HE3 MET 45 70.887 1.391 4.311 344 H ARG 46 HN ARG 46 74.280 4.858 7.100 345 HA ARG 46 HA ARG 46 73.998 4.192 9.844 346 HB2 ARG 46 HB2 ARG 46 75.263 6.316 8.188 347 HB3 ARG 46 HB1 ARG 46 75.095 6.669 9.909 348 HG2 ARG 46 HG2 ARG 46 76.167 4.448 10.399 349 HG3 ARG 46 HG1 ARG 46 76.471 4.270 8.670 350 HD2 ARG 46 HD2 ARG 46 77.489 6.553 10.406 351 HD3 ARG 46 HD1 ARG 46 78.466 5.209 9.780 352 HE ARG 46 HE ARG 46 77.480 6.067 7.465 353 HH11 ARG 46 HH21 ARG 46 80.091 7.175 8.228 354 HH12 ARG 46 HH22 ARG 46 79.818 8.880 8.164 355 HH21 ARG 46 HH11 ARG 46 76.378 8.583 8.373 356 HH22 ARG 46 HH12 ARG 46 77.710 9.681 8.256 357 H MET 47 HN MET 47 72.415 6.744 7.939 358 HA MET 47 HA MET 47 71.212 8.120 10.188 359 HB2 MET 47 HB2 MET 47 71.682 8.962 7.836 360 HB3 MET 47 HB1 MET 47 70.319 7.988 7.289 361 HG2 MET 47 HG2 MET 47 68.769 9.251 8.604 362 HG3 MET 47 HG1 MET 47 70.068 10.043 9.497 363 HE1 MET 47 HE1 MET 47 67.487 11.519 7.410 364 HE2 MET 47 HE2 MET 47 67.733 9.850 6.897 365 HE3 MET 47 HE3 MET 47 67.990 11.166 5.751 366 H LEU 48 HN LEU 48 70.244 5.345 8.195 367 HA LEU 48 HA LEU 48 67.495 5.361 9.297 368 HB2 LEU 48 HB2 LEU 48 68.998 4.104 7.096 369 HB3 LEU 48 HB1 LEU 48 67.809 3.040 7.849 370 HG LEU 48 HG LEU 48 66.415 5.413 7.644 371 HD11 LEU 48 HD11 LEU 48 68.182 5.079 5.201 372 HD12 LEU 48 HD12 LEU 48 68.157 6.460 6.302 373 HD13 LEU 48 HD13 LEU 48 66.762 6.123 5.274 374 HD21 LEU 48 HD21 LEU 48 65.207 3.571 6.991 375 HD22 LEU 48 HD22 LEU 48 66.557 2.861 6.112 376 HD23 LEU 48 HD23 LEU 48 65.627 4.170 5.389 377 H GLY 49 HN GLY 49 70.511 4.085 10.298 378 HA2 GLY 49 HA2 GLY 49 70.638 2.934 12.460 379 HA3 GLY 49 HA1 GLY 49 69.084 2.181 12.103 380 H GLN 50 HN GLN 50 71.950 2.442 10.001 381 HA GLN 50 HA GLN 50 72.176 -0.551 10.062 382 HB2 GLN 50 HB2 GLN 50 72.920 0.970 7.598 383 HB3 GLN 50 HB1 GLN 50 72.187 -0.622 7.741 384 HG2 GLN 50 HG2 GLN 50 70.589 1.812 8.507 385 HG3 GLN 50 HG1 GLN 50 70.769 1.390 6.807 386 HE21 GLN 50 HE21 GLN 50 68.759 0.908 9.428 387 HE22 GLN 50 HE22 GLN 50 68.049 -0.558 8.955 388 H ASN 51 HN ASN 51 74.312 -1.290 10.297 389 HA ASN 51 HA ASN 51 76.475 0.793 10.238 390 HB2 ASN 51 HB2 ASN 51 75.538 -0.071 12.495 391 HB3 ASN 51 HB1 ASN 51 76.380 -1.574 12.119 392 HD21 ASN 51 HD21 ASN 51 78.729 -1.552 12.165 393 HD22 ASN 51 HD22 ASN 51 79.601 -0.227 12.769 394 HA PRO 52 HA PRO 52 77.572 -3.007 7.694 395 HB2 PRO 52 HB2 PRO 52 77.600 -1.847 5.220 396 HB3 PRO 52 HB1 PRO 52 76.148 -2.589 5.918 397 HG2 PRO 52 HG2 PRO 52 76.874 0.275 5.676 398 HG3 PRO 52 HG1 PRO 52 75.289 -0.505 5.576 399 HD2 PRO 52 HD2 PRO 52 76.242 0.857 7.781 400 HD3 PRO 52 HD1 PRO 52 74.949 -0.359 7.813 401 H THR 53 HN THR 53 79.763 -3.366 7.182 402 HA THR 53 HA THR 53 81.697 -1.342 7.859 403 HB THR 53 HB THR 53 83.048 -3.295 6.432 404 HG1 THR 53 HG1 THR 53 81.991 -5.196 6.770 405 HG21 THR 53 HG21 THR 53 82.915 -2.408 9.007 406 HG22 THR 53 HG22 THR 53 83.888 -3.786 8.488 407 HG23 THR 53 HG23 THR 53 82.287 -4.045 9.187 408 HA PRO 54 HA PRO 54 82.040 0.786 4.046 409 HB2 PRO 54 HB2 PRO 54 84.684 1.524 4.144 410 HB3 PRO 54 HB1 PRO 54 83.410 2.300 5.104 411 HG2 PRO 54 HG2 PRO 54 85.375 0.205 5.914 412 HG3 PRO 54 HG1 PRO 54 84.816 1.632 6.805 413 HD2 PRO 54 HD2 PRO 54 83.878 -0.847 7.319 414 HD3 PRO 54 HD1 PRO 54 82.871 0.606 7.496 415 H GLU 55 HN GLU 55 84.582 -1.633 4.728 416 HA GLU 55 HA GLU 55 85.404 -1.955 1.966 417 HB2 GLU 55 HB2 GLU 55 86.588 -3.908 2.876 418 HB3 GLU 55 HB1 GLU 55 86.736 -2.556 3.998 419 HG2 GLU 55 HG2 GLU 55 85.027 -3.462 5.440 420 HG3 GLU 55 HG1 GLU 55 84.610 -4.706 4.264 421 H GLU 56 HN GLU 56 82.921 -3.467 3.998 422 HA GLU 56 HA GLU 56 82.237 -5.439 1.896 423 HB2 GLU 56 HB2 GLU 56 81.472 -4.858 4.741 424 HB3 GLU 56 HB1 GLU 56 80.434 -5.900 3.765 425 HG2 GLU 56 HG2 GLU 56 82.361 -7.352 3.250 426 HG3 GLU 56 HG1 GLU 56 83.408 -6.308 4.208 427 H LEU 57 HN LEU 57 81.283 -2.242 2.810 428 HA LEU 57 HA LEU 57 78.511 -2.335 2.004 429 HB2 LEU 57 HB2 LEU 57 79.571 -0.563 3.405 430 HB3 LEU 57 HB1 LEU 57 80.507 -0.045 2.005 431 HG LEU 57 HG LEU 57 78.260 0.243 0.800 432 HD11 LEU 57 HD11 LEU 57 77.100 -1.098 2.715 433 HD12 LEU 57 HD12 LEU 57 76.271 0.302 2.040 434 HD13 LEU 57 HD13 LEU 57 77.117 0.438 3.581 435 HD21 LEU 57 HD21 LEU 57 78.212 2.472 1.436 436 HD22 LEU 57 HD22 LEU 57 79.790 2.006 2.070 437 HD23 LEU 57 HD23 LEU 57 78.398 2.095 3.149 438 H GLN 58 HN GLN 58 81.573 -1.775 0.259 439 HA GLN 58 HA GLN 58 80.540 -0.804 -2.202 440 HB2 GLN 58 HB2 GLN 58 82.935 -0.933 -1.497 441 HB3 GLN 58 HB1 GLN 58 82.876 -2.686 -1.681 442 HG2 GLN 58 HG2 GLN 58 83.774 -1.971 -3.733 443 HG3 GLN 58 HG1 GLN 58 82.064 -2.179 -4.101 444 HE21 GLN 58 HE21 GLN 58 82.012 -0.537 -5.769 445 HE22 GLN 58 HE22 GLN 58 82.206 1.112 -5.417 446 H GLU 59 HN GLU 59 81.160 -4.190 -1.180 447 HA GLU 59 HA GLU 59 79.943 -5.329 -3.576 448 HB2 GLU 59 HB2 GLU 59 80.328 -7.446 -2.380 449 HB3 GLU 59 HB1 GLU 59 81.744 -6.408 -2.245 450 HG2 GLU 59 HG2 GLU 59 81.249 -5.838 0.005 451 HG3 GLU 59 HG1 GLU 59 79.593 -6.423 -0.125 452 H MET 60 HN MET 60 78.812 -4.438 -0.346 453 HA MET 60 HA MET 60 76.338 -5.886 -0.285 454 HB2 MET 60 HB2 MET 60 77.738 -3.810 1.154 455 HB3 MET 60 HB1 MET 60 76.047 -3.347 0.967 456 HG2 MET 60 HG2 MET 60 75.689 -5.914 1.660 457 HG3 MET 60 HG1 MET 60 77.234 -5.632 2.464 458 HE1 MET 60 HE1 MET 60 73.210 -3.742 2.873 459 HE2 MET 60 HE2 MET 60 74.144 -4.091 1.421 460 HE3 MET 60 HE3 MET 60 74.325 -2.532 2.218 461 H ILE 61 HN ILE 61 77.078 -2.561 -1.408 462 HA ILE 61 HA ILE 61 74.410 -2.050 -2.433 463 HB ILE 61 HB ILE 61 77.157 -0.811 -2.685 464 HG12 ILE 61 HG12 ILE 61 74.526 0.242 -1.599 465 HG13 ILE 61 HG11 ILE 61 75.744 -0.563 -0.613 466 HG21 ILE 61 HG21 ILE 61 76.489 0.003 -4.716 467 HG22 ILE 61 HG22 ILE 61 75.505 1.094 -3.741 468 HG23 ILE 61 HG23 ILE 61 74.791 -0.372 -4.417 469 HD11 ILE 61 HD11 ILE 61 75.840 2.128 -1.919 470 HD12 ILE 61 HD12 ILE 61 77.352 1.243 -1.690 471 HD13 ILE 61 HD13 ILE 61 76.343 1.652 -0.299 472 H ASP 62 HN ASP 62 77.435 -3.309 -3.816 473 HA ASP 62 HA ASP 62 76.739 -3.301 -6.582 474 HB2 ASP 62 HB2 ASP 62 78.758 -4.323 -4.823 475 HB3 ASP 62 HB1 ASP 62 78.260 -5.632 -5.890 476 H GLU 63 HN GLU 63 76.152 -5.747 -4.043 477 HA GLU 63 HA GLU 63 74.971 -7.761 -5.709 478 HB2 GLU 63 HB2 GLU 63 75.867 -7.960 -3.360 479 HB3 GLU 63 HB1 GLU 63 74.433 -7.103 -2.796 480 HG2 GLU 63 HG2 GLU 63 73.645 -9.264 -4.541 481 HG3 GLU 63 HG1 GLU 63 74.693 -9.883 -3.265 482 H VAL 64 HN VAL 64 73.540 -5.058 -3.869 483 HA VAL 64 HA VAL 64 70.788 -5.690 -4.514 484 HB VAL 64 HB VAL 64 72.281 -3.231 -3.546 485 HG11 VAL 64 HG11 VAL 64 70.443 -2.097 -4.306 486 HG12 VAL 64 HG12 VAL 64 69.709 -2.741 -2.840 487 HG13 VAL 64 HG13 VAL 64 69.447 -3.550 -4.385 488 HG21 VAL 64 HG21 VAL 64 70.635 -5.424 -2.286 489 HG22 VAL 64 HG22 VAL 64 70.844 -3.873 -1.470 490 HG23 VAL 64 HG23 VAL 64 72.250 -4.867 -1.845 491 H ASP 65 HN ASP 65 73.253 -3.561 -5.992 492 HA ASP 65 HA ASP 65 71.540 -2.328 -7.958 493 HB2 ASP 65 HB2 ASP 65 73.939 -1.759 -7.073 494 HB3 ASP 65 HB1 ASP 65 74.490 -2.898 -8.297 495 H GLU 66 HN GLU 66 70.363 -3.699 -9.308 496 HA GLU 66 HA GLU 66 71.541 -6.193 -10.347 497 HB2 GLU 66 HB2 GLU 66 68.903 -4.836 -10.224 498 HB3 GLU 66 HB1 GLU 66 69.155 -5.884 -11.618 499 HG2 GLU 66 HG2 GLU 66 69.937 -7.676 -9.989 500 HG3 GLU 66 HG1 GLU 66 69.342 -6.644 -8.690 501 H ASP 67 HN ASP 67 70.659 -2.984 -11.621 502 HA ASP 67 HA ASP 67 71.177 -3.638 -14.403 503 HB2 ASP 67 HB2 ASP 67 71.060 -1.125 -14.620 504 HB3 ASP 67 HB1 ASP 67 69.686 -1.839 -13.781 505 H GLY 68 HN GLY 68 73.247 -2.733 -11.738 506 HA2 GLY 68 HA2 GLY 68 75.605 -2.784 -11.666 507 HA3 GLY 68 HA1 GLY 68 75.615 -3.137 -13.390 508 H SER 69 HN SER 69 74.499 -0.334 -11.411 509 HA SER 69 HA SER 69 75.945 1.420 -13.370 510 HB2 SER 69 HB2 SER 69 74.303 3.102 -12.799 511 HB3 SER 69 HB1 SER 69 73.447 1.597 -13.112 512 HG SER 69 HG SER 69 73.649 3.067 -10.824 513 H GLY 70 HN GLY 70 75.932 0.415 -10.039 514 HA2 GLY 70 HA2 GLY 70 77.658 0.893 -8.462 515 HA3 GLY 70 HA1 GLY 70 78.201 2.222 -9.485 516 H THR 71 HN THR 71 74.913 2.575 -9.267 517 HA THR 71 HA THR 71 75.090 4.276 -6.801 518 HB THR 71 HB THR 71 73.580 5.843 -8.094 519 HG1 THR 71 HG1 THR 71 72.818 5.149 -9.895 520 HG21 THR 71 HG21 THR 71 75.401 6.563 -9.733 521 HG22 THR 71 HG22 THR 71 76.317 5.161 -9.179 522 HG23 THR 71 HG23 THR 71 75.887 6.440 -8.041 523 H VAL 72 HN VAL 72 73.376 3.972 -5.362 524 HA VAL 72 HA VAL 72 71.275 1.996 -6.141 525 HB VAL 72 HB VAL 72 72.461 3.064 -3.584 526 HG11 VAL 72 HG11 VAL 72 69.747 1.798 -3.948 527 HG12 VAL 72 HG12 VAL 72 70.189 3.184 -2.953 528 HG13 VAL 72 HG13 VAL 72 70.655 1.558 -2.456 529 HG21 VAL 72 HG21 VAL 72 71.791 0.214 -3.893 530 HG22 VAL 72 HG22 VAL 72 73.301 0.966 -3.384 531 HG23 VAL 72 HG23 VAL 72 72.924 0.817 -5.099 532 H ASP 73 HN ASP 73 69.143 2.635 -6.408 533 HA ASP 73 HA ASP 73 68.461 5.494 -5.811 534 HB2 ASP 73 HB2 ASP 73 67.023 5.378 -7.698 535 HB3 ASP 73 HB1 ASP 73 68.446 4.465 -8.190 536 H PHE 74 HN PHE 74 65.678 5.293 -5.867 537 HA PHE 74 HA PHE 74 65.016 4.442 -3.220 538 HB2 PHE 74 HB2 PHE 74 63.862 6.129 -4.734 539 HB3 PHE 74 HB1 PHE 74 63.155 4.762 -5.595 540 HD1 PHE 74 HD2 PHE 74 63.594 6.027 -2.092 541 HD2 PHE 74 HD1 PHE 74 61.090 3.956 -4.894 542 HE1 PHE 74 HE2 PHE 74 61.816 5.858 -0.374 543 HE2 PHE 74 HE1 PHE 74 59.306 3.787 -3.181 544 HZ PHE 74 HZ PHE 74 59.670 4.734 -0.918 545 H ASP 75 HN ASP 75 64.531 2.801 -6.381 546 HA ASP 75 HA ASP 75 63.059 0.543 -5.392 547 HB2 ASP 75 HB2 ASP 75 64.878 1.048 -7.752 548 HB3 ASP 75 HB1 ASP 75 64.040 -0.487 -7.535 549 H GLU 76 HN GLU 76 66.582 0.804 -6.156 550 HA GLU 76 HA GLU 76 67.331 -1.768 -5.188 551 HB2 GLU 76 HB2 GLU 76 68.582 0.788 -5.909 552 HB3 GLU 76 HB1 GLU 76 69.482 -0.081 -4.665 553 HG2 GLU 76 HG2 GLU 76 70.006 -1.827 -6.065 554 HG3 GLU 76 HG1 GLU 76 68.491 -1.705 -6.954 555 H PHE 77 HN PHE 77 67.055 1.346 -3.477 556 HA PHE 77 HA PHE 77 68.082 0.502 -0.943 557 HB2 PHE 77 HB2 PHE 77 67.680 2.849 -1.726 558 HB3 PHE 77 HB1 PHE 77 65.944 2.567 -1.600 559 HD1 PHE 77 HD1 PHE 77 69.083 2.303 0.441 560 HD2 PHE 77 HD2 PHE 77 64.852 3.036 0.405 561 HE1 PHE 77 HE1 PHE 77 69.162 2.873 2.845 562 HE2 PHE 77 HE2 PHE 77 64.933 3.603 2.820 563 HZ PHE 77 HZ PHE 77 67.090 3.525 4.035 564 H LEU 78 HN LEU 78 64.728 0.485 -2.253 565 HA LEU 78 HA LEU 78 63.409 -0.465 0.096 566 HB2 LEU 78 HB2 LEU 78 62.877 -0.078 -2.729 567 HB3 LEU 78 HB1 LEU 78 62.170 -1.601 -2.192 568 HG LEU 78 HG LEU 78 61.785 1.006 -0.695 569 HD11 LEU 78 HD11 LEU 78 59.804 1.402 -1.887 570 HD12 LEU 78 HD12 LEU 78 59.700 -0.262 -2.461 571 HD13 LEU 78 HD13 LEU 78 60.892 0.836 -3.153 572 HD21 LEU 78 HD21 LEU 78 59.636 -0.716 -0.270 573 HD22 LEU 78 HD22 LEU 78 60.987 -0.473 0.835 574 HD23 LEU 78 HD23 LEU 78 61.021 -1.804 -0.318 575 H VAL 79 HN VAL 79 64.975 -2.251 -2.584 576 HA VAL 79 HA VAL 79 64.379 -4.892 -1.515 577 HB VAL 79 HB VAL 79 66.480 -3.922 -3.491 578 HG11 VAL 79 HG11 VAL 79 65.512 -6.529 -4.083 579 HG12 VAL 79 HG12 VAL 79 65.923 -6.510 -2.368 580 HG13 VAL 79 HG13 VAL 79 67.138 -6.074 -3.569 581 HG21 VAL 79 HG21 VAL 79 64.876 -4.208 -5.196 582 HG22 VAL 79 HG22 VAL 79 63.960 -3.428 -3.909 583 HG23 VAL 79 HG23 VAL 79 63.815 -5.165 -4.165 584 H MET 80 HN MET 80 66.981 -2.557 -1.069 585 HA MET 80 HA MET 80 68.858 -4.407 0.185 586 HB2 MET 80 HB2 MET 80 69.546 -2.373 -1.000 587 HB3 MET 80 HB1 MET 80 68.600 -1.379 0.107 588 HG2 MET 80 HG2 MET 80 70.034 -1.854 1.931 589 HG3 MET 80 HG1 MET 80 70.788 -3.209 1.092 590 HE1 MET 80 HE1 MET 80 71.103 1.231 0.200 591 HE2 MET 80 HE2 MET 80 71.293 0.680 1.865 592 HE3 MET 80 HE3 MET 80 69.812 0.313 0.986 593 H MET 81 HN MET 81 66.341 -2.167 1.314 594 HA MET 81 HA MET 81 66.962 -2.106 4.087 595 HB2 MET 81 HB2 MET 81 64.589 -1.700 2.320 596 HB3 MET 81 HB1 MET 81 64.282 -1.851 4.051 597 HG2 MET 81 HG2 MET 81 66.336 0.046 2.881 598 HG3 MET 81 HG1 MET 81 64.684 0.520 3.261 599 HE1 MET 81 HE1 MET 81 67.909 1.424 5.620 600 HE2 MET 81 HE2 MET 81 67.771 0.931 3.936 601 HE3 MET 81 HE3 MET 81 68.332 -0.226 5.139 602 H VAL 82 HN VAL 82 64.634 -4.284 2.387 603 HA VAL 82 HA VAL 82 64.053 -5.908 4.681 604 HB VAL 82 HB VAL 82 63.227 -7.532 2.963 605 HG11 VAL 82 HG11 VAL 82 62.567 -4.610 2.499 606 HG12 VAL 82 HG12 VAL 82 61.774 -5.706 3.631 607 HG13 VAL 82 HG13 VAL 82 61.605 -5.957 1.893 608 HG21 VAL 82 HG21 VAL 82 65.118 -6.990 1.317 609 HG22 VAL 82 HG22 VAL 82 64.204 -5.541 0.897 610 HG23 VAL 82 HG23 VAL 82 63.503 -7.137 0.622 611 H ARG 83 HN ARG 83 66.696 -6.018 2.325 612 HA ARG 83 HA ARG 83 67.721 -8.636 2.979 613 HB2 ARG 83 HB2 ARG 83 68.361 -6.331 1.369 614 HB3 ARG 83 HB1 ARG 83 69.812 -6.865 2.214 615 HG2 ARG 83 HG2 ARG 83 69.342 -9.198 1.430 616 HG3 ARG 83 HG1 ARG 83 68.011 -8.557 0.464 617 HD2 ARG 83 HD2 ARG 83 70.621 -7.170 0.120 618 HD3 ARG 83 HD1 ARG 83 70.529 -8.822 -0.520 619 HE ARG 83 HE ARG 83 68.996 -6.518 -1.505 620 HH11 ARG 83 HH11 ARG 83 70.202 -8.719 -3.179 621 HH12 ARG 83 HH12 ARG 83 68.792 -9.603 -3.669 622 HH21 ARG 83 HH21 ARG 83 66.728 -8.097 -1.333 623 HH22 ARG 83 HH22 ARG 83 66.824 -9.257 -2.616 624 H SER 84 HN SER 84 68.641 -5.353 4.070 625 HA SER 84 HA SER 84 70.626 -6.174 5.985 626 HB2 SER 84 HB2 SER 84 70.539 -3.925 5.104 627 HB3 SER 84 HB1 SER 84 68.878 -3.716 5.652 628 HG SER 84 HG SER 84 70.160 -2.750 7.165 629 H MET 85 HN MET 85 67.117 -5.668 6.208 630 HA MET 85 HA MET 85 66.969 -5.915 9.098 631 HB2 MET 85 HB2 MET 85 65.124 -5.868 6.738 632 HB3 MET 85 HB1 MET 85 64.482 -6.459 8.270 633 HG2 MET 85 HG2 MET 85 65.653 -4.268 9.220 634 HG3 MET 85 HG1 MET 85 65.464 -3.720 7.554 635 HE1 MET 85 HE1 MET 85 62.177 -4.306 6.542 636 HE2 MET 85 HE2 MET 85 63.777 -3.609 6.304 637 HE3 MET 85 HE3 MET 85 62.470 -2.602 6.920 638 H LYS 86 HN LYS 86 66.067 -8.159 6.434 639 HA LYS 86 HA LYS 86 66.008 -10.511 6.332 640 HB2 LYS 86 HB2 LYS 86 68.269 -9.782 7.796 641 HB3 LYS 86 HB1 LYS 86 67.484 -10.983 8.819 642 HG2 LYS 86 HG2 LYS 86 68.056 -11.388 5.867 643 HG3 LYS 86 HG1 LYS 86 69.103 -11.966 7.161 644 HD2 LYS 86 HD2 LYS 86 66.176 -12.676 7.168 645 HD3 LYS 86 HD1 LYS 86 67.306 -13.587 6.161 646 HE2 LYS 86 HE2 LYS 86 68.518 -14.385 8.024 647 HE3 LYS 86 HE1 LYS 86 67.888 -13.114 9.094 648 HZ1 LYS 86 HZ1 LYS 86 66.029 -14.982 7.760 649 HZ2 LYS 86 HZ2 LYS 86 65.815 -14.099 9.193 650 HZ3 LYS 86 HZ3 LYS 86 66.826 -15.459 9.179 651 H ASP 87 HN ASP 87 64.021 -11.366 6.797 652 HA ASP 87 HA ASP 87 62.251 -12.300 8.061 653 HB2 ASP 87 HB2 ASP 87 64.644 -12.535 9.589 654 HB3 ASP 87 HB1 ASP 87 63.374 -12.041 10.703 655 H ASP 88 HN ASP 88 60.726 -11.661 9.940 656 HA ASP 88 HA ASP 88 59.395 -10.061 11.040 657 HB2 ASP 88 HB2 ASP 88 62.050 -9.430 11.552 658 HB3 ASP 88 HB1 ASP 88 61.396 -7.909 10.950 659 H SER 89 HN SER 89 61.366 -7.801 9.072 660 HA SER 89 HA SER 89 58.909 -7.195 7.457 661 HB2 SER 89 HB2 SER 89 60.851 -5.408 8.927 662 HB3 SER 89 HB1 SER 89 59.882 -4.788 7.595 663 HG SER 89 HG SER 89 59.168 -5.190 10.131 Start of MODEL 16 1 H1 MET 1 HT1 MET 1 68.623 -15.077 -3.631 2 H2 MET 1 HT2 MET 1 68.107 -14.009 -2.417 3 H3 MET 1 HT3 MET 1 69.295 -13.523 -3.533 4 HA MET 1 HA MET 1 67.265 -12.489 -4.199 5 HB2 MET 1 HB2 MET 1 68.374 -14.831 -5.723 6 HB3 MET 1 HB1 MET 1 66.971 -13.992 -6.383 7 HG2 MET 1 HG2 MET 1 68.633 -12.707 -7.330 8 HG3 MET 1 HG1 MET 1 68.459 -11.846 -5.801 9 HE1 MET 1 HE1 MET 1 71.623 -15.027 -6.813 10 HE2 MET 1 HE2 MET 1 70.811 -14.064 -8.044 11 HE3 MET 1 HE3 MET 1 69.875 -15.163 -7.036 12 H ASP 2 HN ASP 2 66.461 -15.837 -5.117 13 HA ASP 2 HA ASP 2 64.498 -17.100 -4.790 14 HB2 ASP 2 HB2 ASP 2 64.336 -15.505 -2.214 15 HB3 ASP 2 HB1 ASP 2 63.722 -17.132 -2.498 16 H ASP 3 HN ASP 3 62.028 -16.671 -3.932 17 HA ASP 3 HA ASP 3 61.059 -14.398 -5.582 18 HB2 ASP 3 HB2 ASP 3 59.022 -15.652 -5.656 19 HB3 ASP 3 HB1 ASP 3 60.315 -16.842 -5.775 20 H ILE 4 HN ILE 4 61.358 -15.357 -2.238 21 HA ILE 4 HA ILE 4 59.253 -13.854 -1.046 22 HB ILE 4 HB ILE 4 60.679 -14.038 0.985 23 HG12 ILE 4 HG12 ILE 4 62.810 -15.611 -0.163 24 HG13 ILE 4 HG11 ILE 4 62.788 -14.019 -0.918 25 HG21 ILE 4 HG21 ILE 4 59.350 -15.982 0.066 26 HG22 ILE 4 HG22 ILE 4 60.727 -16.440 1.066 27 HG23 ILE 4 HG23 ILE 4 60.835 -16.557 -0.689 28 HD11 ILE 4 HD11 ILE 4 62.493 -14.190 2.058 29 HD12 ILE 4 HD12 ILE 4 63.212 -12.912 1.076 30 HD13 ILE 4 HD13 ILE 4 64.095 -14.413 1.354 31 H TYR 5 HN TYR 5 62.369 -12.817 -2.318 32 HA TYR 5 HA TYR 5 62.560 -10.261 -1.005 33 HB2 TYR 5 HB2 TYR 5 63.739 -11.726 -3.299 34 HB3 TYR 5 HB1 TYR 5 63.820 -9.970 -3.424 35 HD1 TYR 5 HD1 TYR 5 64.586 -12.829 -1.145 36 HD2 TYR 5 HD2 TYR 5 65.394 -8.741 -2.182 37 HE1 TYR 5 HE1 TYR 5 66.479 -12.798 0.454 38 HE2 TYR 5 HE2 TYR 5 67.288 -8.708 -0.582 39 HH TYR 5 HH TYR 5 67.706 -10.632 1.811 40 H LYS 6 HN LYS 6 61.138 -11.279 -4.118 41 HA LYS 6 HA LYS 6 60.233 -8.620 -4.871 42 HB2 LYS 6 HB2 LYS 6 60.726 -10.664 -6.328 43 HB3 LYS 6 HB1 LYS 6 59.199 -11.332 -5.750 44 HG2 LYS 6 HG2 LYS 6 58.337 -8.893 -6.504 45 HG3 LYS 6 HG1 LYS 6 59.692 -9.072 -7.619 46 HD2 LYS 6 HD2 LYS 6 58.532 -10.533 -8.875 47 HD3 LYS 6 HD1 LYS 6 58.227 -11.552 -7.469 48 HE2 LYS 6 HE2 LYS 6 56.619 -9.042 -8.044 49 HE3 LYS 6 HE1 LYS 6 56.127 -10.656 -8.590 50 HZ1 LYS 6 HZ1 LYS 6 55.158 -10.570 -6.515 51 HZ2 LYS 6 HZ2 LYS 6 56.404 -9.636 -5.837 52 HZ3 LYS 6 HZ3 LYS 6 56.642 -11.291 -6.134 53 H ALA 7 HN ALA 7 58.723 -11.475 -3.354 54 HA ALA 7 HA ALA 7 56.044 -10.473 -3.180 55 HB1 ALA 7 HB1 ALA 7 56.210 -12.745 -2.780 56 HB2 ALA 7 HB2 ALA 7 56.213 -12.183 -1.110 57 HB3 ALA 7 HB3 ALA 7 57.734 -12.585 -1.904 58 H ALA 8 HN ALA 8 58.878 -10.061 -1.071 59 HA ALA 8 HA ALA 8 57.674 -9.004 1.264 60 HB1 ALA 8 HB1 ALA 8 60.007 -9.505 1.225 61 HB2 ALA 8 HB2 ALA 8 59.928 -7.749 1.378 62 HB3 ALA 8 HB3 ALA 8 60.281 -8.484 -0.184 63 H VAL 9 HN VAL 9 58.547 -7.331 -1.771 64 HA VAL 9 HA VAL 9 57.988 -4.654 -1.023 65 HB VAL 9 HB VAL 9 57.582 -6.148 -3.633 66 HG11 VAL 9 HG11 VAL 9 57.981 -3.803 -4.598 67 HG12 VAL 9 HG12 VAL 9 57.624 -3.198 -2.979 68 HG13 VAL 9 HG13 VAL 9 56.402 -4.100 -3.873 69 HG21 VAL 9 HG21 VAL 9 59.822 -5.828 -4.044 70 HG22 VAL 9 HG22 VAL 9 59.908 -5.834 -2.284 71 HG23 VAL 9 HG23 VAL 9 59.875 -4.304 -3.160 72 H GLU 10 HN GLU 10 55.758 -7.164 -2.280 73 HA GLU 10 HA GLU 10 53.390 -5.483 -2.245 74 HB2 GLU 10 HB2 GLU 10 53.981 -8.446 -2.363 75 HB3 GLU 10 HB1 GLU 10 52.321 -7.865 -2.271 76 HG2 GLU 10 HG2 GLU 10 52.335 -7.396 -4.464 77 HG3 GLU 10 HG1 GLU 10 53.723 -6.331 -4.251 78 H GLN 11 HN GLN 11 54.897 -7.737 0.059 79 HA GLN 11 HA GLN 11 52.793 -7.719 2.027 80 HB2 GLN 11 HB2 GLN 11 55.495 -8.720 1.653 81 HB3 GLN 11 HB1 GLN 11 55.304 -8.086 3.287 82 HG2 GLN 11 HG2 GLN 11 54.656 -10.408 3.340 83 HG3 GLN 11 HG1 GLN 11 53.183 -9.450 3.472 84 HE21 GLN 11 HE21 GLN 11 55.233 -10.802 0.809 85 HE22 GLN 11 HE22 GLN 11 53.917 -11.317 -0.127 86 H LEU 12 HN LEU 12 55.548 -5.579 1.377 87 HA LEU 12 HA LEU 12 55.505 -4.098 3.836 88 HB2 LEU 12 HB2 LEU 12 56.360 -3.450 0.999 89 HB3 LEU 12 HB1 LEU 12 56.665 -2.373 2.358 90 HG LEU 12 HG LEU 12 57.596 -5.260 2.229 91 HD11 LEU 12 HD11 LEU 12 59.472 -2.936 2.116 92 HD12 LEU 12 HD12 LEU 12 58.594 -3.346 0.643 93 HD13 LEU 12 HD13 LEU 12 59.630 -4.546 1.411 94 HD21 LEU 12 HD21 LEU 12 58.236 -2.971 4.117 95 HD22 LEU 12 HD22 LEU 12 58.982 -4.567 4.164 96 HD23 LEU 12 HD23 LEU 12 57.263 -4.390 4.505 97 H THR 13 HN THR 13 54.067 -2.571 4.534 98 HA THR 13 HA THR 13 51.631 -2.009 3.079 99 HB THR 13 HB THR 13 51.415 -0.311 5.018 100 HG1 THR 13 HG1 THR 13 52.983 -0.390 6.544 101 HG21 THR 13 HG21 THR 13 51.928 -2.732 6.477 102 HG22 THR 13 HG22 THR 13 51.223 -3.141 4.915 103 HG23 THR 13 HG23 THR 13 50.378 -2.040 6.001 104 H GLU 14 HN GLU 14 50.929 -0.010 2.196 105 HA GLU 14 HA GLU 14 52.744 1.428 0.547 106 HB2 GLU 14 HB2 GLU 14 49.967 1.917 1.628 107 HB3 GLU 14 HB1 GLU 14 50.714 3.027 0.477 108 HG2 GLU 14 HG2 GLU 14 50.245 0.059 0.038 109 HG3 GLU 14 HG1 GLU 14 49.326 1.369 -0.700 110 H GLU 15 HN GLU 15 51.449 2.217 3.780 111 HA GLU 15 HA GLU 15 52.453 4.874 4.028 112 HB2 GLU 15 HB2 GLU 15 52.009 2.627 6.019 113 HB3 GLU 15 HB1 GLU 15 52.340 4.288 6.496 114 HG2 GLU 15 HG2 GLU 15 50.173 3.979 4.505 115 HG3 GLU 15 HG1 GLU 15 49.832 3.283 6.089 116 H GLN 16 HN GLN 16 53.996 1.719 4.681 117 HA GLN 16 HA GLN 16 56.478 2.854 5.698 118 HB2 GLN 16 HB2 GLN 16 56.223 0.707 6.453 119 HB3 GLN 16 HB1 GLN 16 55.247 0.231 5.065 120 HG2 GLN 16 HG2 GLN 16 57.077 -0.404 3.818 121 HG3 GLN 16 HG1 GLN 16 58.158 0.743 4.613 122 HE21 GLN 16 HE21 GLN 16 55.998 -1.736 6.083 123 HE22 GLN 16 HE22 GLN 16 57.244 -2.553 6.893 124 H LYS 17 HN LYS 17 55.288 1.756 2.518 125 HA LYS 17 HA LYS 17 57.783 1.869 1.099 126 HB2 LYS 17 HB2 LYS 17 55.020 1.425 0.589 127 HB3 LYS 17 HB1 LYS 17 55.518 2.726 -0.498 128 HG2 LYS 17 HG2 LYS 17 57.096 1.399 -1.585 129 HG3 LYS 17 HG1 LYS 17 57.278 0.312 -0.210 130 HD2 LYS 17 HD2 LYS 17 54.681 0.497 -1.741 131 HD3 LYS 17 HD1 LYS 17 55.981 -0.586 -2.247 132 HE2 LYS 17 HE2 LYS 17 55.910 -1.785 -0.149 133 HE3 LYS 17 HE1 LYS 17 54.792 -0.595 0.551 134 HZ1 LYS 17 HZ1 LYS 17 53.486 -2.398 -0.243 135 HZ2 LYS 17 HZ2 LYS 17 54.289 -2.415 -1.739 136 HZ3 LYS 17 HZ3 LYS 17 53.264 -1.117 -1.337 137 H ASN 18 HN ASN 18 55.223 4.342 1.576 138 HA ASN 18 HA ASN 18 56.643 6.490 0.259 139 HB2 ASN 18 HB2 ASN 18 54.557 7.337 0.539 140 HB3 ASN 18 HB1 ASN 18 54.145 5.978 1.577 141 HD21 ASN 18 HD21 ASN 18 55.639 9.254 1.688 142 HD22 ASN 18 HD22 ASN 18 55.212 9.546 3.305 143 H GLU 19 HN GLU 19 56.613 5.201 3.552 144 HA GLU 19 HA GLU 19 57.948 7.299 4.944 145 HB2 GLU 19 HB2 GLU 19 56.881 5.458 6.084 146 HB3 GLU 19 HB1 GLU 19 57.868 4.279 5.225 147 HG2 GLU 19 HG2 GLU 19 58.897 4.403 7.324 148 HG3 GLU 19 HG1 GLU 19 59.884 5.481 6.336 149 H PHE 20 HN PHE 20 59.220 4.548 3.050 150 HA PHE 20 HA PHE 20 62.006 4.928 3.542 151 HB2 PHE 20 HB2 PHE 20 60.365 3.844 1.240 152 HB3 PHE 20 HB1 PHE 20 62.126 3.790 1.221 153 HD1 PHE 20 HD1 PHE 20 62.837 3.219 3.991 154 HD2 PHE 20 HD2 PHE 20 59.607 1.651 1.634 155 HE1 PHE 20 HE1 PHE 20 62.778 1.191 5.416 156 HE2 PHE 20 HE2 PHE 20 59.551 -0.376 3.059 157 HZ PHE 20 HZ PHE 20 61.137 -0.606 4.951 158 H LYS 21 HN LYS 21 59.796 6.434 1.199 159 HA LYS 21 HA LYS 21 61.717 7.865 -0.364 160 HB2 LYS 21 HB2 LYS 21 59.166 7.437 -0.657 161 HB3 LYS 21 HB1 LYS 21 58.956 8.858 0.364 162 HG2 LYS 21 HG2 LYS 21 60.929 9.388 -1.694 163 HG3 LYS 21 HG1 LYS 21 59.417 8.830 -2.416 164 HD2 LYS 21 HD2 LYS 21 58.158 10.531 -1.208 165 HD3 LYS 21 HD1 LYS 21 59.612 11.047 -0.356 166 HE2 LYS 21 HE2 LYS 21 60.585 11.430 -2.766 167 HE3 LYS 21 HE1 LYS 21 58.878 11.458 -3.248 168 HZ1 LYS 21 HZ1 LYS 21 59.702 13.670 -2.579 169 HZ2 LYS 21 HZ2 LYS 21 60.036 13.066 -1.027 170 HZ3 LYS 21 HZ3 LYS 21 58.435 13.130 -1.594 171 H ALA 22 HN ALA 22 60.041 8.695 2.684 172 HA ALA 22 HA ALA 22 60.841 11.406 2.944 173 HB1 ALA 22 HB1 ALA 22 60.521 10.939 5.381 174 HB2 ALA 22 HB2 ALA 22 60.480 9.214 5.016 175 HB3 ALA 22 HB3 ALA 22 59.216 10.275 4.399 176 H ALA 23 HN ALA 23 62.529 8.426 3.996 177 HA ALA 23 HA ALA 23 64.859 9.807 5.026 178 HB1 ALA 23 HB1 ALA 23 64.221 7.544 5.712 179 HB2 ALA 23 HB2 ALA 23 65.808 7.482 4.941 180 HB3 ALA 23 HB3 ALA 23 64.376 6.971 4.051 181 H PHE 24 HN PHE 24 64.046 8.220 1.945 182 HA PHE 24 HA PHE 24 66.508 8.406 0.576 183 HB2 PHE 24 HB2 PHE 24 64.198 7.368 -0.015 184 HB3 PHE 24 HB1 PHE 24 63.807 8.957 -0.664 185 HD1 PHE 24 HD2 PHE 24 66.759 6.622 -0.754 186 HD2 PHE 24 HD1 PHE 24 64.084 9.160 -2.959 187 HE1 PHE 24 HE2 PHE 24 67.936 6.039 -2.854 188 HE2 PHE 24 HE1 PHE 24 65.262 8.570 -5.063 189 HZ PHE 24 HZ PHE 24 67.187 7.012 -5.009 190 H ASP 25 HN ASP 25 63.936 10.853 0.920 191 HA ASP 25 HA ASP 25 64.933 12.857 -0.816 192 HB2 ASP 25 HB2 ASP 25 63.175 12.652 1.581 193 HB3 ASP 25 HB1 ASP 25 63.723 14.270 1.145 194 H ILE 26 HN ILE 26 65.870 12.106 2.543 195 HA ILE 26 HA ILE 26 67.347 14.432 3.201 196 HB ILE 26 HB ILE 26 67.657 11.493 3.863 197 HG12 ILE 26 HG12 ILE 26 66.675 13.833 5.527 198 HG13 ILE 26 HG11 ILE 26 65.608 12.760 4.619 199 HG21 ILE 26 HG21 ILE 26 68.871 12.974 5.900 200 HG22 ILE 26 HG22 ILE 26 69.488 13.697 4.413 201 HG23 ILE 26 HG23 ILE 26 69.695 11.972 4.708 202 HD11 ILE 26 HD11 ILE 26 67.552 11.859 6.765 203 HD12 ILE 26 HD12 ILE 26 66.411 10.835 5.891 204 HD13 ILE 26 HD13 ILE 26 65.816 12.075 6.995 205 H PHE 27 HN PHE 27 68.393 11.553 1.350 206 HA PHE 27 HA PHE 27 71.013 12.882 0.845 207 HB2 PHE 27 HB2 PHE 27 70.802 10.270 -0.361 208 HB3 PHE 27 HB1 PHE 27 71.859 10.796 0.937 209 HD1 PHE 27 HD2 PHE 27 70.808 10.901 3.330 210 HD2 PHE 27 HD1 PHE 27 69.116 8.692 0.057 211 HE1 PHE 27 HE2 PHE 27 69.539 9.499 4.931 212 HE2 PHE 27 HE1 PHE 27 67.851 7.289 1.662 213 HZ PHE 27 HZ PHE 27 68.058 7.691 4.098 214 H VAL 28 HN VAL 28 67.981 12.542 -0.664 215 HA VAL 28 HA VAL 28 69.062 12.598 -3.425 216 HB VAL 28 HB VAL 28 66.333 12.406 -2.136 217 HG11 VAL 28 HG11 VAL 28 65.925 13.853 -4.010 218 HG12 VAL 28 HG12 VAL 28 65.475 12.228 -4.536 219 HG13 VAL 28 HG13 VAL 28 67.013 12.926 -5.041 220 HG21 VAL 28 HG21 VAL 28 66.565 10.430 -4.003 221 HG22 VAL 28 HG22 VAL 28 67.039 10.244 -2.316 222 HG23 VAL 28 HG23 VAL 28 68.252 10.639 -3.534 223 H GLN 29 HN GLN 29 67.869 14.803 -0.983 224 HA GLN 29 HA GLN 29 66.913 16.991 -2.472 225 HB2 GLN 29 HB2 GLN 29 67.834 16.384 0.163 226 HB3 GLN 29 HB1 GLN 29 68.596 17.897 -0.328 227 HG2 GLN 29 HG2 GLN 29 66.619 19.035 -0.355 228 HG3 GLN 29 HG1 GLN 29 65.724 17.664 -1.009 229 HE21 GLN 29 HE21 GLN 29 64.961 16.010 0.543 230 HE22 GLN 29 HE22 GLN 29 64.847 16.370 2.196 231 H GLY 30 HN GLY 30 70.314 16.110 -1.769 232 HA2 GLY 30 HA2 GLY 30 71.250 18.388 -3.436 233 HA3 GLY 30 HA1 GLY 30 72.269 17.367 -2.422 234 H ALA 31 HN ALA 31 69.949 16.697 -5.081 235 HA ALA 31 HA ALA 31 72.156 15.480 -6.656 236 HB1 ALA 31 HB1 ALA 31 70.165 13.559 -6.793 237 HB2 ALA 31 HB2 ALA 31 70.088 14.073 -5.109 238 HB3 ALA 31 HB3 ALA 31 71.601 13.459 -5.774 239 H GLU 32 HN GLU 32 71.533 15.114 -8.885 240 HA GLU 32 HA GLU 32 69.556 17.048 -9.882 241 HB2 GLU 32 HB2 GLU 32 71.336 15.016 -11.288 242 HB3 GLU 32 HB1 GLU 32 70.508 16.368 -12.062 243 HG2 GLU 32 HG2 GLU 32 71.776 17.911 -10.492 244 HG3 GLU 32 HG1 GLU 32 72.728 16.510 -10.004 245 H ASP 33 HN ASP 33 70.010 13.491 -10.180 246 HA ASP 33 HA ASP 33 67.155 13.236 -11.036 247 HB2 ASP 33 HB2 ASP 33 69.682 11.608 -11.314 248 HB3 ASP 33 HB1 ASP 33 68.106 10.889 -11.638 249 H GLY 34 HN GLY 34 69.351 12.450 -8.411 250 HA2 GLY 34 HA2 GLY 34 68.431 11.906 -6.204 251 HA3 GLY 34 HA1 GLY 34 67.099 11.080 -7.014 252 H SER 35 HN SER 35 70.667 10.858 -7.317 253 HA SER 35 HA SER 35 70.413 7.902 -6.851 254 HB2 SER 35 HB2 SER 35 70.840 8.313 -9.178 255 HB3 SER 35 HB1 SER 35 72.056 9.532 -8.805 256 HG SER 35 HG SER 35 73.434 7.955 -8.811 257 H ILE 36 HN ILE 36 71.888 7.036 -5.381 258 HA ILE 36 HA ILE 36 73.896 8.935 -4.205 259 HB ILE 36 HB ILE 36 72.132 6.773 -3.031 260 HG12 ILE 36 HG12 ILE 36 72.411 9.441 -1.787 261 HG13 ILE 36 HG11 ILE 36 71.719 9.463 -3.405 262 HG21 ILE 36 HG21 ILE 36 73.384 7.714 -0.860 263 HG22 ILE 36 HG22 ILE 36 74.682 7.955 -2.025 264 HG23 ILE 36 HG23 ILE 36 74.025 6.342 -1.768 265 HD11 ILE 36 HD11 ILE 36 70.662 8.216 -0.904 266 HD12 ILE 36 HD12 ILE 36 70.274 7.454 -2.449 267 HD13 ILE 36 HD13 ILE 36 69.805 9.127 -2.149 268 H SER 37 HN SER 37 75.993 8.132 -3.790 269 HA SER 37 HA SER 37 76.749 5.655 -5.247 270 HB2 SER 37 HB2 SER 37 77.813 8.141 -5.114 271 HB3 SER 37 HB1 SER 37 78.720 7.376 -3.815 272 HG SER 37 HG SER 37 78.626 6.764 -6.561 273 H THR 38 HN THR 38 78.583 4.357 -4.069 274 HA THR 38 HA THR 38 77.517 3.168 -1.685 275 HB THR 38 HB THR 38 79.753 2.005 -1.683 276 HG1 THR 38 HG1 THR 38 81.243 2.594 -3.213 277 HG21 THR 38 HG21 THR 38 77.840 2.135 -3.904 278 HG22 THR 38 HG22 THR 38 78.521 0.733 -3.079 279 HG23 THR 38 HG23 THR 38 79.424 1.511 -4.374 280 H LYS 39 HN LYS 39 80.051 5.620 -2.181 281 HA LYS 39 HA LYS 39 81.034 5.695 0.510 282 HB2 LYS 39 HB2 LYS 39 80.968 7.544 -1.865 283 HB3 LYS 39 HB1 LYS 39 81.596 8.129 -0.322 284 HG2 LYS 39 HG2 LYS 39 83.065 6.019 -0.304 285 HG3 LYS 39 HG1 LYS 39 82.640 5.845 -2.008 286 HD2 LYS 39 HD2 LYS 39 83.677 8.470 -0.954 287 HD3 LYS 39 HD1 LYS 39 84.798 7.178 -1.380 288 HE2 LYS 39 HE2 LYS 39 83.130 7.216 -3.582 289 HE3 LYS 39 HE1 LYS 39 83.217 8.936 -3.144 290 HZ1 LYS 39 HZ1 LYS 39 85.593 7.156 -3.318 291 HZ2 LYS 39 HZ2 LYS 39 85.585 8.841 -3.105 292 HZ3 LYS 39 HZ3 LYS 39 85.086 8.169 -4.581 293 H GLU 40 HN GLU 40 78.141 7.076 -0.953 294 HA GLU 40 HA GLU 40 77.648 8.831 1.393 295 HB2 GLU 40 HB2 GLU 40 76.324 8.382 -1.293 296 HB3 GLU 40 HB1 GLU 40 75.691 9.503 -0.088 297 HG2 GLU 40 HG2 GLU 40 77.072 11.040 -1.010 298 HG3 GLU 40 HG1 GLU 40 78.384 10.168 -0.218 299 H LEU 41 HN LEU 41 76.465 5.824 -0.058 300 HA LEU 41 HA LEU 41 74.001 5.662 1.425 301 HB2 LEU 41 HB2 LEU 41 74.874 4.478 -0.719 302 HB3 LEU 41 HB1 LEU 41 75.544 3.304 0.414 303 HG LEU 41 HG LEU 41 72.828 3.927 1.167 304 HD11 LEU 41 HD11 LEU 41 73.363 3.275 -1.727 305 HD12 LEU 41 HD12 LEU 41 72.248 4.465 -1.053 306 HD13 LEU 41 HD13 LEU 41 71.873 2.744 -0.946 307 HD21 LEU 41 HD21 LEU 41 73.804 1.349 -0.050 308 HD22 LEU 41 HD22 LEU 41 72.657 1.582 1.269 309 HD23 LEU 41 HD23 LEU 41 74.377 1.859 1.540 310 H GLY 42 HN GLY 42 77.277 5.122 2.423 311 HA2 GLY 42 HA2 GLY 42 77.001 3.035 4.308 312 HA3 GLY 42 HA1 GLY 42 78.161 4.356 4.457 313 H LYS 43 HN LYS 43 76.637 6.575 4.899 314 HA LYS 43 HA LYS 43 75.643 6.155 7.617 315 HB2 LYS 43 HB2 LYS 43 75.975 8.464 5.710 316 HB3 LYS 43 HB1 LYS 43 75.097 8.688 7.223 317 HG2 LYS 43 HG2 LYS 43 77.094 7.710 8.427 318 HG3 LYS 43 HG1 LYS 43 77.962 7.755 6.896 319 HD2 LYS 43 HD2 LYS 43 76.669 10.304 7.448 320 HD3 LYS 43 HD1 LYS 43 77.754 9.836 8.759 321 HE2 LYS 43 HE2 LYS 43 79.597 9.515 7.159 322 HE3 LYS 43 HE1 LYS 43 78.515 9.935 5.815 323 HZ1 LYS 43 HZ1 LYS 43 79.177 11.667 8.141 324 HZ2 LYS 43 HZ2 LYS 43 78.065 12.059 6.922 325 HZ3 LYS 43 HZ3 LYS 43 79.711 11.890 6.548 326 H VAL 44 HN VAL 44 74.176 6.479 4.429 327 HA VAL 44 HA VAL 44 71.546 7.283 5.056 328 HB VAL 44 HB VAL 44 72.790 5.444 3.012 329 HG11 VAL 44 HG11 VAL 44 69.866 6.091 3.410 330 HG12 VAL 44 HG12 VAL 44 70.613 4.517 3.119 331 HG13 VAL 44 HG13 VAL 44 70.513 5.702 1.815 332 HG21 VAL 44 HG21 VAL 44 72.013 7.373 1.528 333 HG22 VAL 44 HG22 VAL 44 73.278 7.769 2.690 334 HG23 VAL 44 HG23 VAL 44 71.608 8.232 3.014 335 H MET 45 HN MET 45 72.926 3.984 5.100 336 HA MET 45 HA MET 45 70.460 2.720 6.007 337 HB2 MET 45 HB2 MET 45 73.353 1.782 6.032 338 HB3 MET 45 HB1 MET 45 71.931 0.751 6.145 339 HG2 MET 45 HG2 MET 45 71.509 2.337 3.857 340 HG3 MET 45 HG1 MET 45 73.201 1.843 3.778 341 HE1 MET 45 HE1 MET 45 69.393 -0.412 3.312 342 HE2 MET 45 HE2 MET 45 69.694 1.221 3.909 343 HE3 MET 45 HE3 MET 45 69.747 -0.150 5.021 344 H ARG 46 HN ARG 46 73.496 3.752 7.573 345 HA ARG 46 HA ARG 46 73.034 2.685 10.168 346 HB2 ARG 46 HB2 ARG 46 74.735 4.694 8.829 347 HB3 ARG 46 HB1 ARG 46 74.502 4.983 10.555 348 HG2 ARG 46 HG2 ARG 46 74.979 2.161 10.020 349 HG3 ARG 46 HG1 ARG 46 76.296 3.159 9.400 350 HD2 ARG 46 HD2 ARG 46 77.066 3.064 11.552 351 HD3 ARG 46 HD1 ARG 46 75.839 4.308 11.864 352 HE ARG 46 HE ARG 46 75.614 1.452 12.568 353 HH11 ARG 46 HH11 ARG 46 74.661 4.298 13.728 354 HH12 ARG 46 HH12 ARG 46 72.968 3.963 13.850 355 HH21 ARG 46 HH21 ARG 46 73.149 1.036 11.993 356 HH22 ARG 46 HH22 ARG 46 72.113 2.098 12.888 357 H MET 47 HN MET 47 72.082 5.862 8.787 358 HA MET 47 HA MET 47 71.020 6.943 11.239 359 HB2 MET 47 HB2 MET 47 70.349 8.734 9.863 360 HB3 MET 47 HB1 MET 47 71.706 8.050 8.971 361 HG2 MET 47 HG2 MET 47 70.183 8.155 7.249 362 HG3 MET 47 HG1 MET 47 69.732 6.577 7.892 363 HE1 MET 47 HE1 MET 47 67.813 7.582 6.193 364 HE2 MET 47 HE2 MET 47 68.089 9.317 6.321 365 HE3 MET 47 HE3 MET 47 66.514 8.647 6.742 366 H LEU 48 HN LEU 48 69.602 4.833 8.776 367 HA LEU 48 HA LEU 48 66.852 5.186 9.760 368 HB2 LEU 48 HB2 LEU 48 68.320 3.849 7.584 369 HB3 LEU 48 HB1 LEU 48 66.930 2.931 8.162 370 HG LEU 48 HG LEU 48 66.546 5.857 7.719 371 HD11 LEU 48 HD11 LEU 48 67.710 5.358 5.688 372 HD12 LEU 48 HD12 LEU 48 65.993 5.308 5.291 373 HD13 LEU 48 HD13 LEU 48 66.888 3.806 5.521 374 HD21 LEU 48 HD21 LEU 48 64.347 4.900 6.828 375 HD22 LEU 48 HD22 LEU 48 64.665 4.614 8.540 376 HD23 LEU 48 HD23 LEU 48 64.923 3.323 7.368 377 H GLY 49 HN GLY 49 69.491 2.876 10.233 378 HA2 GLY 49 HA2 GLY 49 69.369 1.769 12.539 379 HA3 GLY 49 HA1 GLY 49 67.731 1.307 12.081 380 H GLN 50 HN GLN 50 70.564 1.281 9.944 381 HA GLN 50 HA GLN 50 70.244 -1.693 9.645 382 HB2 GLN 50 HB2 GLN 50 71.602 0.233 7.744 383 HB3 GLN 50 HB1 GLN 50 70.935 -1.354 7.379 384 HG2 GLN 50 HG2 GLN 50 69.126 0.833 8.384 385 HG3 GLN 50 HG1 GLN 50 69.598 0.800 6.688 386 HE21 GLN 50 HE21 GLN 50 67.585 -0.713 9.099 387 HE22 GLN 50 HE22 GLN 50 66.864 -1.849 8.068 388 H ASN 51 HN ASN 51 72.487 -2.735 8.995 389 HA ASN 51 HA ASN 51 74.769 -1.313 10.304 390 HB2 ASN 51 HB2 ASN 51 73.405 -2.963 11.792 391 HB3 ASN 51 HB1 ASN 51 74.189 -4.225 10.844 392 HD21 ASN 51 HD21 ASN 51 76.207 -4.882 11.627 393 HD22 ASN 51 HD22 ASN 51 77.190 -3.966 12.665 394 HA PRO 52 HA PRO 52 75.951 -3.838 6.522 395 HB2 PRO 52 HB2 PRO 52 75.944 -1.935 4.578 396 HB3 PRO 52 HB1 PRO 52 74.504 -2.891 4.978 397 HG2 PRO 52 HG2 PRO 52 75.160 -0.090 5.678 398 HG3 PRO 52 HG1 PRO 52 73.592 -0.832 5.346 399 HD2 PRO 52 HD2 PRO 52 74.618 -0.227 7.855 400 HD3 PRO 52 HD1 PRO 52 73.263 -1.329 7.518 401 H THR 53 HN THR 53 78.186 -4.017 6.670 402 HA THR 53 HA THR 53 79.896 -1.881 7.585 403 HB THR 53 HB THR 53 81.612 -3.683 6.539 404 HG1 THR 53 HG1 THR 53 80.663 -5.663 6.368 405 HG21 THR 53 HG21 THR 53 81.430 -4.913 8.678 406 HG22 THR 53 HG22 THR 53 79.876 -4.139 8.984 407 HG23 THR 53 HG23 THR 53 81.349 -3.170 8.930 408 HA PRO 54 HA PRO 54 80.760 0.290 3.880 409 HB2 PRO 54 HB2 PRO 54 83.407 0.917 4.219 410 HB3 PRO 54 HB1 PRO 54 82.091 1.701 5.116 411 HG2 PRO 54 HG2 PRO 54 83.896 -0.523 5.971 412 HG3 PRO 54 HG1 PRO 54 83.354 0.898 6.880 413 HD2 PRO 54 HD2 PRO 54 82.245 -1.536 7.234 414 HD3 PRO 54 HD1 PRO 54 81.301 -0.036 7.376 415 H GLU 55 HN GLU 55 83.172 -2.224 4.675 416 HA GLU 55 HA GLU 55 84.222 -2.431 1.984 417 HB2 GLU 55 HB2 GLU 55 85.254 -4.500 2.910 418 HB3 GLU 55 HB1 GLU 55 85.445 -3.126 3.997 419 HG2 GLU 55 HG2 GLU 55 82.976 -4.355 4.675 420 HG3 GLU 55 HG1 GLU 55 84.159 -5.652 4.512 421 H GLU 56 HN GLU 56 81.487 -3.932 3.647 422 HA GLU 56 HA GLU 56 81.043 -5.828 1.408 423 HB2 GLU 56 HB2 GLU 56 80.114 -5.410 4.214 424 HB3 GLU 56 HB1 GLU 56 79.021 -6.262 3.123 425 HG2 GLU 56 HG2 GLU 56 80.424 -8.067 2.901 426 HG3 GLU 56 HG1 GLU 56 81.878 -7.078 3.039 427 H LEU 57 HN LEU 57 79.804 -2.785 2.669 428 HA LEU 57 HA LEU 57 77.240 -2.739 1.431 429 HB2 LEU 57 HB2 LEU 57 78.126 -1.156 3.141 430 HB3 LEU 57 HB1 LEU 57 79.201 -0.477 1.921 431 HG LEU 57 HG LEU 57 77.156 0.024 0.523 432 HD11 LEU 57 HD11 LEU 57 75.523 -0.221 3.022 433 HD12 LEU 57 HD12 LEU 57 75.814 -1.682 2.080 434 HD13 LEU 57 HD13 LEU 57 75.006 -0.299 1.339 435 HD21 LEU 57 HD21 LEU 57 77.908 1.273 3.102 436 HD22 LEU 57 HD22 LEU 57 76.353 1.773 2.438 437 HD23 LEU 57 HD23 LEU 57 77.825 1.983 1.490 438 H GLN 58 HN GLN 58 80.486 -2.026 0.119 439 HA GLN 58 HA GLN 58 79.742 -0.781 -2.325 440 HB2 GLN 58 HB2 GLN 58 82.041 -0.919 -1.567 441 HB3 GLN 58 HB1 GLN 58 81.992 -2.680 -1.569 442 HG2 GLN 58 HG2 GLN 58 83.171 -1.818 -3.563 443 HG3 GLN 58 HG1 GLN 58 81.701 -2.679 -4.016 444 HE21 GLN 58 HE21 GLN 58 80.409 -1.574 -5.471 445 HE22 GLN 58 HE22 GLN 58 80.379 0.110 -5.671 446 H GLU 59 HN GLU 59 80.280 -4.290 -1.701 447 HA GLU 59 HA GLU 59 79.272 -5.120 -4.295 448 HB2 GLU 59 HB2 GLU 59 79.918 -7.206 -3.543 449 HB3 GLU 59 HB1 GLU 59 80.766 -6.253 -2.326 450 HG2 GLU 59 HG2 GLU 59 78.766 -6.461 -0.838 451 HG3 GLU 59 HG1 GLU 59 78.026 -7.517 -2.038 452 H MET 60 HN MET 60 77.846 -4.573 -1.106 453 HA MET 60 HA MET 60 75.308 -5.846 -1.458 454 HB2 MET 60 HB2 MET 60 76.590 -3.774 0.230 455 HB3 MET 60 HB1 MET 60 74.832 -3.713 0.178 456 HG2 MET 60 HG2 MET 60 76.312 -6.296 0.669 457 HG3 MET 60 HG1 MET 60 75.923 -5.197 1.990 458 HE1 MET 60 HE1 MET 60 72.816 -4.286 0.211 459 HE2 MET 60 HE2 MET 60 73.678 -3.913 1.700 460 HE3 MET 60 HE3 MET 60 72.148 -4.787 1.773 461 H ILE 61 HN ILE 61 76.329 -2.473 -2.053 462 HA ILE 61 HA ILE 61 73.796 -1.602 -3.150 463 HB ILE 61 HB ILE 61 76.642 -0.616 -3.042 464 HG12 ILE 61 HG12 ILE 61 74.004 0.501 -2.035 465 HG13 ILE 61 HG11 ILE 61 75.134 -0.444 -1.072 466 HG21 ILE 61 HG21 ILE 61 74.468 0.329 -4.854 467 HG22 ILE 61 HG22 ILE 61 76.216 0.391 -5.070 468 HG23 ILE 61 HG23 ILE 61 75.414 1.564 -4.024 469 HD11 ILE 61 HD11 ILE 61 76.565 1.302 -0.805 470 HD12 ILE 61 HD12 ILE 61 75.157 2.286 -1.209 471 HD13 ILE 61 HD13 ILE 61 76.334 1.871 -2.457 472 H ASP 62 HN ASP 62 76.866 -2.728 -4.614 473 HA ASP 62 HA ASP 62 76.027 -2.382 -7.357 474 HB2 ASP 62 HB2 ASP 62 78.257 -3.462 -5.807 475 HB3 ASP 62 HB1 ASP 62 77.949 -4.404 -7.264 476 H GLU 63 HN GLU 63 75.721 -5.082 -5.046 477 HA GLU 63 HA GLU 63 74.956 -7.150 -6.863 478 HB2 GLU 63 HB2 GLU 63 75.562 -7.265 -4.381 479 HB3 GLU 63 HB1 GLU 63 73.922 -6.723 -4.044 480 HG2 GLU 63 HG2 GLU 63 73.950 -9.141 -3.926 481 HG3 GLU 63 HG1 GLU 63 73.071 -8.678 -5.380 482 H VAL 64 HN VAL 64 72.977 -4.723 -5.130 483 HA VAL 64 HA VAL 64 70.472 -5.653 -6.336 484 HB VAL 64 HB VAL 64 71.155 -3.060 -4.905 485 HG11 VAL 64 HG11 VAL 64 68.600 -3.684 -4.218 486 HG12 VAL 64 HG12 VAL 64 68.657 -4.359 -5.846 487 HG13 VAL 64 HG13 VAL 64 69.011 -2.652 -5.588 488 HG21 VAL 64 HG21 VAL 64 71.766 -4.657 -3.320 489 HG22 VAL 64 HG22 VAL 64 70.604 -5.842 -3.913 490 HG23 VAL 64 HG23 VAL 64 70.051 -4.464 -2.959 491 H ASP 65 HN ASP 65 73.062 -3.562 -7.273 492 HA ASP 65 HA ASP 65 71.569 -1.843 -9.095 493 HB2 ASP 65 HB2 ASP 65 73.840 -1.534 -7.840 494 HB3 ASP 65 HB1 ASP 65 74.519 -2.468 -9.169 495 H GLU 66 HN GLU 66 70.436 -3.306 -10.523 496 HA GLU 66 HA GLU 66 71.910 -5.377 -12.001 497 HB2 GLU 66 HB2 GLU 66 69.126 -4.466 -11.592 498 HB3 GLU 66 HB1 GLU 66 69.450 -5.101 -13.204 499 HG2 GLU 66 HG2 GLU 66 69.310 -7.185 -12.360 500 HG3 GLU 66 HG1 GLU 66 70.754 -6.851 -11.405 501 H ASP 67 HN ASP 67 70.846 -2.049 -12.585 502 HA ASP 67 HA ASP 67 71.206 -2.094 -15.462 503 HB2 ASP 67 HB2 ASP 67 71.175 0.417 -15.125 504 HB3 ASP 67 HB1 ASP 67 69.803 -0.438 -14.427 505 H GLY 68 HN GLY 68 73.479 -1.777 -12.799 506 HA2 GLY 68 HA2 GLY 68 75.844 -1.911 -12.962 507 HA3 GLY 68 HA1 GLY 68 75.704 -1.766 -14.710 508 H SER 69 HN SER 69 74.872 0.366 -11.919 509 HA SER 69 HA SER 69 76.261 2.588 -13.392 510 HB2 SER 69 HB2 SER 69 74.607 4.059 -12.444 511 HB3 SER 69 HB1 SER 69 73.747 2.670 -13.099 512 HG SER 69 HG SER 69 74.101 3.499 -10.479 513 H GLY 70 HN GLY 70 75.994 0.891 -10.308 514 HA2 GLY 70 HA2 GLY 70 77.654 0.895 -8.585 515 HA3 GLY 70 HA1 GLY 70 78.404 2.296 -9.348 516 H THR 71 HN THR 71 74.993 2.500 -8.914 517 HA THR 71 HA THR 71 75.265 4.011 -6.350 518 HB THR 71 HB THR 71 73.894 5.827 -7.450 519 HG1 THR 71 HG1 THR 71 73.477 5.695 -9.561 520 HG21 THR 71 HG21 THR 71 76.469 5.300 -8.944 521 HG22 THR 71 HG22 THR 71 76.437 5.837 -7.266 522 HG23 THR 71 HG23 THR 71 75.756 6.859 -8.533 523 H VAL 72 HN VAL 72 73.170 4.247 -5.241 524 HA VAL 72 HA VAL 72 71.174 2.171 -6.086 525 HB VAL 72 HB VAL 72 72.176 3.254 -3.462 526 HG11 VAL 72 HG11 VAL 72 69.441 2.179 -4.055 527 HG12 VAL 72 HG12 VAL 72 69.934 3.389 -2.871 528 HG13 VAL 72 HG13 VAL 72 70.225 1.679 -2.555 529 HG21 VAL 72 HG21 VAL 72 73.175 1.241 -3.469 530 HG22 VAL 72 HG22 VAL 72 72.402 0.843 -5.002 531 HG23 VAL 72 HG23 VAL 72 71.592 0.465 -3.483 532 H ASP 73 HN ASP 73 69.137 2.829 -6.596 533 HA ASP 73 HA ASP 73 68.384 5.680 -6.068 534 HB2 ASP 73 HB2 ASP 73 67.172 5.538 -8.098 535 HB3 ASP 73 HB1 ASP 73 68.606 4.570 -8.424 536 H PHE 74 HN PHE 74 65.585 5.286 -6.472 537 HA PHE 74 HA PHE 74 64.730 4.445 -3.855 538 HB2 PHE 74 HB2 PHE 74 63.687 6.104 -5.521 539 HB3 PHE 74 HB1 PHE 74 63.018 4.691 -6.338 540 HD1 PHE 74 HD1 PHE 74 63.312 6.195 -2.917 541 HD2 PHE 74 HD2 PHE 74 60.965 3.834 -5.632 542 HE1 PHE 74 HE1 PHE 74 61.487 6.083 -1.244 543 HE2 PHE 74 HE2 PHE 74 59.140 3.724 -3.959 544 HZ PHE 74 HZ PHE 74 59.401 4.846 -1.764 545 H ASP 75 HN ASP 75 64.475 2.853 -7.074 546 HA ASP 75 HA ASP 75 63.050 0.520 -6.223 547 HB2 ASP 75 HB2 ASP 75 64.968 1.178 -8.465 548 HB3 ASP 75 HB1 ASP 75 64.253 -0.427 -8.325 549 H GLU 76 HN GLU 76 66.578 1.041 -6.624 550 HA GLU 76 HA GLU 76 67.434 -1.546 -5.757 551 HB2 GLU 76 HB2 GLU 76 68.525 1.112 -6.318 552 HB3 GLU 76 HB1 GLU 76 69.425 0.275 -5.054 553 HG2 GLU 76 HG2 GLU 76 70.268 -1.250 -6.506 554 HG3 GLU 76 HG1 GLU 76 68.718 -1.463 -7.311 555 H PHE 77 HN PHE 77 66.801 1.445 -3.922 556 HA PHE 77 HA PHE 77 67.817 0.741 -1.381 557 HB2 PHE 77 HB2 PHE 77 66.454 2.816 -2.522 558 HB3 PHE 77 HB1 PHE 77 65.203 2.143 -1.484 559 HD1 PHE 77 HD2 PHE 77 66.215 1.389 0.957 560 HD2 PHE 77 HD1 PHE 77 67.755 4.487 -1.594 561 HE1 PHE 77 HE2 PHE 77 67.257 2.487 2.916 562 HE2 PHE 77 HE1 PHE 77 68.796 5.582 0.372 563 HZ PHE 77 HZ PHE 77 68.546 4.581 2.625 564 H LEU 78 HN LEU 78 64.605 -0.025 -2.787 565 HA LEU 78 HA LEU 78 63.436 -1.243 -0.485 566 HB2 LEU 78 HB2 LEU 78 63.057 -1.293 -3.455 567 HB3 LEU 78 HB1 LEU 78 62.196 -2.496 -2.496 568 HG LEU 78 HG LEU 78 62.118 0.373 -1.624 569 HD11 LEU 78 HD11 LEU 78 59.815 -0.102 -3.179 570 HD12 LEU 78 HD12 LEU 78 61.175 -0.614 -4.177 571 HD13 LEU 78 HD13 LEU 78 61.123 1.027 -3.538 572 HD21 LEU 78 HD21 LEU 78 60.041 -1.835 -1.602 573 HD22 LEU 78 HD22 LEU 78 59.977 -0.307 -0.722 574 HD23 LEU 78 HD23 LEU 78 61.164 -1.534 -0.278 575 H VAL 79 HN VAL 79 65.107 -2.815 -3.259 576 HA VAL 79 HA VAL 79 65.042 -5.478 -2.114 577 HB VAL 79 HB VAL 79 66.658 -4.125 -4.293 578 HG11 VAL 79 HG11 VAL 79 68.028 -5.958 -3.834 579 HG12 VAL 79 HG12 VAL 79 66.903 -6.655 -5.001 580 HG13 VAL 79 HG13 VAL 79 66.685 -6.952 -3.275 581 HG21 VAL 79 HG21 VAL 79 65.086 -5.829 -5.589 582 HG22 VAL 79 HG22 VAL 79 64.487 -4.245 -5.097 583 HG23 VAL 79 HG23 VAL 79 64.097 -5.673 -4.138 584 H MET 80 HN MET 80 67.142 -2.740 -1.644 585 HA MET 80 HA MET 80 69.402 -4.335 -0.614 586 HB2 MET 80 HB2 MET 80 69.932 -2.373 -1.852 587 HB3 MET 80 HB1 MET 80 68.720 -1.413 -1.009 588 HG2 MET 80 HG2 MET 80 70.047 -1.651 1.093 589 HG3 MET 80 HG1 MET 80 71.289 -2.508 0.185 590 HE1 MET 80 HE1 MET 80 69.137 0.859 0.147 591 HE2 MET 80 HE2 MET 80 70.497 1.906 0.553 592 HE3 MET 80 HE3 MET 80 70.095 0.553 1.601 593 H MET 81 HN MET 81 66.892 -2.142 0.698 594 HA MET 81 HA MET 81 67.829 -2.150 3.417 595 HB2 MET 81 HB2 MET 81 65.529 -1.254 1.837 596 HB3 MET 81 HB1 MET 81 65.094 -1.703 3.488 597 HG2 MET 81 HG2 MET 81 67.348 -0.311 3.998 598 HG3 MET 81 HG1 MET 81 66.832 0.507 2.524 599 HE1 MET 81 HE1 MET 81 65.937 0.200 6.511 600 HE2 MET 81 HE2 MET 81 66.000 1.946 6.269 601 HE3 MET 81 HE3 MET 81 67.263 0.920 5.591 602 H VAL 82 HN VAL 82 65.361 -4.168 1.782 603 HA VAL 82 HA VAL 82 64.301 -5.560 3.970 604 HB VAL 82 HB VAL 82 63.931 -7.390 2.289 605 HG11 VAL 82 HG11 VAL 82 62.216 -5.929 1.962 606 HG12 VAL 82 HG12 VAL 82 63.078 -5.523 0.479 607 HG13 VAL 82 HG13 VAL 82 63.285 -4.528 1.922 608 HG21 VAL 82 HG21 VAL 82 65.577 -7.618 0.740 609 HG22 VAL 82 HG22 VAL 82 66.155 -5.972 0.987 610 HG23 VAL 82 HG23 VAL 82 64.797 -6.277 -0.094 611 H ARG 83 HN ARG 83 67.482 -5.990 2.490 612 HA ARG 83 HA ARG 83 68.135 -8.508 3.772 613 HB2 ARG 83 HB2 ARG 83 69.737 -6.258 2.523 614 HB3 ARG 83 HB1 ARG 83 70.469 -7.771 3.066 615 HG2 ARG 83 HG2 ARG 83 69.420 -9.030 1.421 616 HG3 ARG 83 HG1 ARG 83 68.082 -7.896 1.257 617 HD2 ARG 83 HD2 ARG 83 69.237 -7.353 -0.677 618 HD3 ARG 83 HD1 ARG 83 70.112 -6.292 0.448 619 HE ARG 83 HE ARG 83 71.871 -7.981 0.598 620 HH11 ARG 83 HH21 ARG 83 69.976 -10.314 -0.021 621 HH12 ARG 83 HH22 ARG 83 70.570 -10.803 -1.569 622 HH21 ARG 83 HH11 ARG 83 72.354 -7.875 -2.094 623 HH22 ARG 83 HH12 ARG 83 71.908 -9.412 -2.754 624 H SER 84 HN SER 84 68.865 -5.083 4.609 625 HA SER 84 HA SER 84 70.148 -5.954 7.146 626 HB2 SER 84 HB2 SER 84 70.651 -3.979 5.325 627 HB3 SER 84 HB1 SER 84 69.743 -3.087 6.545 628 HG SER 84 HG SER 84 72.273 -4.068 6.638 629 H MET 85 HN MET 85 67.009 -5.051 6.112 630 HA MET 85 HA MET 85 66.010 -3.464 8.235 631 HB2 MET 85 HB2 MET 85 64.919 -5.398 6.224 632 HB3 MET 85 HB1 MET 85 63.845 -4.856 7.516 633 HG2 MET 85 HG2 MET 85 65.294 -2.596 6.469 634 HG3 MET 85 HG1 MET 85 64.518 -3.461 5.144 635 HE1 MET 85 HE1 MET 85 61.092 -2.523 5.133 636 HE2 MET 85 HE2 MET 85 61.624 -4.172 5.427 637 HE3 MET 85 HE3 MET 85 62.578 -3.124 4.379 638 H LYS 86 HN LYS 86 66.274 -7.041 8.051 639 HA LYS 86 HA LYS 86 64.815 -7.697 10.391 640 HB2 LYS 86 HB2 LYS 86 66.145 -9.785 10.331 641 HB3 LYS 86 HB1 LYS 86 65.624 -9.316 8.716 642 HG2 LYS 86 HG2 LYS 86 67.768 -8.743 8.040 643 HG3 LYS 86 HG1 LYS 86 68.294 -8.349 9.678 644 HD2 LYS 86 HD2 LYS 86 67.528 -11.130 9.539 645 HD3 LYS 86 HD1 LYS 86 68.720 -10.774 8.288 646 HE2 LYS 86 HE2 LYS 86 70.088 -11.266 10.140 647 HE3 LYS 86 HE1 LYS 86 69.961 -9.500 10.245 648 HZ1 LYS 86 HZ1 LYS 86 67.898 -11.184 11.507 649 HZ2 LYS 86 HZ2 LYS 86 68.391 -9.607 11.902 650 HZ3 LYS 86 HZ3 LYS 86 69.367 -10.936 12.310 651 H ASP 87 HN ASP 87 65.351 -7.823 12.577 652 HA ASP 87 HA ASP 87 67.757 -6.280 13.419 653 HB2 ASP 87 HB2 ASP 87 65.207 -6.022 14.130 654 HB3 ASP 87 HB1 ASP 87 65.629 -7.298 15.272 655 H ASP 88 HN ASP 88 68.919 -7.123 15.394 656 HA ASP 88 HA ASP 88 68.793 -10.013 15.948 657 HB2 ASP 88 HB2 ASP 88 70.101 -9.352 13.710 658 HB3 ASP 88 HB1 ASP 88 71.401 -9.019 14.854 659 H SER 89 HN SER 89 70.586 -10.591 17.586 660 HA SER 89 HA SER 89 70.958 -8.303 19.463 661 HB2 SER 89 HB2 SER 89 71.522 -10.226 21.032 662 HB3 SER 89 HB1 SER 89 69.891 -10.252 20.371 663 HG SER 89 HG SER 89 72.123 -11.662 19.302 Start of MODEL 17 1 H1 MET 1 HT1 MET 1 60.405 -20.510 -1.855 2 H2 MET 1 HT2 MET 1 60.502 -22.157 -2.261 3 H3 MET 1 HT3 MET 1 59.600 -21.083 -3.229 4 HA MET 1 HA MET 1 62.559 -21.192 -2.923 5 HB2 MET 1 HB2 MET 1 61.178 -22.776 -4.418 6 HB3 MET 1 HB1 MET 1 60.800 -21.344 -5.381 7 HG2 MET 1 HG2 MET 1 63.286 -20.920 -5.556 8 HG3 MET 1 HG1 MET 1 63.538 -22.500 -4.813 9 HE1 MET 1 HE1 MET 1 62.929 -20.467 -7.831 10 HE2 MET 1 HE2 MET 1 61.230 -20.838 -7.555 11 HE3 MET 1 HE3 MET 1 62.039 -21.468 -8.987 12 H ASP 2 HN ASP 2 63.312 -19.095 -2.700 13 HA ASP 2 HA ASP 2 63.582 -16.781 -3.069 14 HB2 ASP 2 HB2 ASP 2 63.802 -17.962 -5.378 15 HB3 ASP 2 HB1 ASP 2 62.211 -17.280 -5.712 16 H ASP 3 HN ASP 3 60.961 -17.804 -1.929 17 HA ASP 3 HA ASP 3 58.960 -15.875 -2.936 18 HB2 ASP 3 HB2 ASP 3 57.517 -17.063 -1.279 19 HB3 ASP 3 HB1 ASP 3 58.310 -18.171 -2.392 20 H ILE 4 HN ILE 4 60.915 -16.406 0.003 21 HA ILE 4 HA ILE 4 59.736 -14.364 1.623 22 HB ILE 4 HB ILE 4 61.243 -16.288 2.291 23 HG12 ILE 4 HG12 ILE 4 62.499 -13.765 3.308 24 HG13 ILE 4 HG11 ILE 4 60.778 -14.025 3.588 25 HG21 ILE 4 HG21 ILE 4 63.392 -14.431 1.229 26 HG22 ILE 4 HG22 ILE 4 62.960 -15.999 0.556 27 HG23 ILE 4 HG23 ILE 4 63.688 -15.899 2.157 28 HD11 ILE 4 HD11 ILE 4 62.215 -14.890 5.450 29 HD12 ILE 4 HD12 ILE 4 62.945 -16.019 4.310 30 HD13 ILE 4 HD13 ILE 4 61.229 -16.147 4.702 31 H TYR 5 HN TYR 5 61.882 -14.113 -1.114 32 HA TYR 5 HA TYR 5 62.858 -11.416 -0.348 33 HB2 TYR 5 HB2 TYR 5 63.537 -13.590 -2.220 34 HB3 TYR 5 HB1 TYR 5 63.717 -11.982 -2.918 35 HD1 TYR 5 HD2 TYR 5 64.871 -14.296 -0.302 36 HD2 TYR 5 HD1 TYR 5 65.318 -10.381 -2.008 37 HE1 TYR 5 HE2 TYR 5 66.981 -13.987 0.961 38 HE2 TYR 5 HE1 TYR 5 67.434 -10.072 -0.746 39 HH TYR 5 HH TYR 5 69.225 -11.684 0.267 40 H LYS 6 HN LYS 6 60.851 -12.934 -2.899 41 HA LYS 6 HA LYS 6 60.207 -10.367 -4.173 42 HB2 LYS 6 HB2 LYS 6 58.952 -13.118 -4.482 43 HB3 LYS 6 HB1 LYS 6 58.875 -11.795 -5.645 44 HG2 LYS 6 HG2 LYS 6 61.580 -12.747 -4.772 45 HG3 LYS 6 HG1 LYS 6 60.680 -13.750 -5.904 46 HD2 LYS 6 HD2 LYS 6 60.554 -10.950 -6.672 47 HD3 LYS 6 HD1 LYS 6 62.225 -11.486 -6.517 48 HE2 LYS 6 HE2 LYS 6 60.311 -13.280 -7.969 49 HE3 LYS 6 HE1 LYS 6 60.915 -11.833 -8.801 50 HZ1 LYS 6 HZ1 LYS 6 62.358 -13.874 -8.991 51 HZ2 LYS 6 HZ2 LYS 6 62.709 -13.701 -7.337 52 HZ3 LYS 6 HZ3 LYS 6 63.139 -12.476 -8.440 53 H ALA 7 HN ALA 7 58.437 -12.747 -2.171 54 HA ALA 7 HA ALA 7 55.910 -11.432 -2.107 55 HB1 ALA 7 HB1 ALA 7 55.497 -12.920 -0.256 56 HB2 ALA 7 HB2 ALA 7 57.218 -13.027 0.115 57 HB3 ALA 7 HB3 ALA 7 56.586 -13.772 -1.354 58 H ALA 8 HN ALA 8 58.875 -10.874 -0.235 59 HA ALA 8 HA ALA 8 57.933 -9.370 1.941 60 HB1 ALA 8 HB1 ALA 8 60.388 -8.728 0.286 61 HB2 ALA 8 HB2 ALA 8 60.293 -10.132 1.350 62 HB3 ALA 8 HB3 ALA 8 60.174 -8.506 2.023 63 H VAL 9 HN VAL 9 58.887 -8.060 -1.266 64 HA VAL 9 HA VAL 9 58.179 -5.348 -0.748 65 HB VAL 9 HB VAL 9 58.380 -7.070 -3.232 66 HG11 VAL 9 HG11 VAL 9 57.389 -4.288 -2.937 67 HG12 VAL 9 HG12 VAL 9 57.146 -5.438 -4.255 68 HG13 VAL 9 HG13 VAL 9 58.644 -4.510 -4.158 69 HG21 VAL 9 HG21 VAL 9 60.261 -5.921 -1.501 70 HG22 VAL 9 HG22 VAL 9 60.226 -4.836 -2.893 71 HG23 VAL 9 HG23 VAL 9 60.574 -6.551 -3.121 72 H GLU 10 HN GLU 10 56.234 -8.007 -2.136 73 HA GLU 10 HA GLU 10 53.864 -6.437 -2.653 74 HB2 GLU 10 HB2 GLU 10 54.547 -8.682 -3.612 75 HB3 GLU 10 HB1 GLU 10 54.141 -9.400 -2.055 76 HG2 GLU 10 HG2 GLU 10 52.058 -9.650 -2.920 77 HG3 GLU 10 HG1 GLU 10 51.877 -7.922 -2.622 78 H GLN 11 HN GLN 11 55.045 -8.250 0.167 79 HA GLN 11 HA GLN 11 52.552 -7.981 1.674 80 HB2 GLN 11 HB2 GLN 11 55.236 -9.180 1.957 81 HB3 GLN 11 HB1 GLN 11 54.553 -8.589 3.470 82 HG2 GLN 11 HG2 GLN 11 53.536 -10.633 3.499 83 HG3 GLN 11 HG1 GLN 11 52.375 -9.834 2.439 84 HE21 GLN 11 HE21 GLN 11 52.768 -10.126 0.017 85 HE22 GLN 11 HE22 GLN 11 53.525 -11.552 -0.506 86 H LEU 12 HN LEU 12 55.576 -6.147 1.404 87 HA LEU 12 HA LEU 12 55.425 -4.587 3.779 88 HB2 LEU 12 HB2 LEU 12 56.537 -4.207 0.996 89 HB3 LEU 12 HB1 LEU 12 56.639 -2.894 2.165 90 HG LEU 12 HG LEU 12 57.731 -5.698 2.566 91 HD11 LEU 12 HD11 LEU 12 59.926 -4.580 2.419 92 HD12 LEU 12 HD12 LEU 12 59.122 -3.041 2.111 93 HD13 LEU 12 HD13 LEU 12 59.003 -4.347 0.932 94 HD21 LEU 12 HD21 LEU 12 57.458 -3.280 4.326 95 HD22 LEU 12 HD22 LEU 12 58.881 -4.307 4.515 96 HD23 LEU 12 HD23 LEU 12 57.267 -4.983 4.739 97 H THR 13 HN THR 13 54.031 -2.949 4.380 98 HA THR 13 HA THR 13 51.748 -2.262 2.684 99 HB THR 13 HB THR 13 51.523 -0.598 4.769 100 HG1 THR 13 HG1 THR 13 52.915 -0.958 6.306 101 HG21 THR 13 HG21 THR 13 50.284 -2.282 5.866 102 HG22 THR 13 HG22 THR 13 51.359 -3.560 5.295 103 HG23 THR 13 HG23 THR 13 50.255 -2.763 4.171 104 H GLU 14 HN GLU 14 51.244 -0.051 1.974 105 HA GLU 14 HA GLU 14 53.328 1.315 0.618 106 HB2 GLU 14 HB2 GLU 14 50.494 1.640 1.233 107 HB3 GLU 14 HB1 GLU 14 51.324 3.193 1.156 108 HG2 GLU 14 HG2 GLU 14 50.429 2.429 -1.061 109 HG3 GLU 14 HG1 GLU 14 52.170 2.704 -1.064 110 H GLU 15 HN GLU 15 52.009 1.863 3.887 111 HA GLU 15 HA GLU 15 53.277 4.350 4.437 112 HB2 GLU 15 HB2 GLU 15 52.940 3.668 6.811 113 HB3 GLU 15 HB1 GLU 15 51.514 3.383 5.820 114 HG2 GLU 15 HG2 GLU 15 51.541 1.206 6.368 115 HG3 GLU 15 HG1 GLU 15 53.174 1.040 5.726 116 H GLN 16 HN GLN 16 54.588 1.050 4.429 117 HA GLN 16 HA GLN 16 57.091 1.772 5.770 118 HB2 GLN 16 HB2 GLN 16 56.210 -0.582 4.057 119 HB3 GLN 16 HB1 GLN 16 57.779 -0.494 4.861 120 HG2 GLN 16 HG2 GLN 16 55.825 0.155 6.814 121 HG3 GLN 16 HG1 GLN 16 55.238 -1.268 5.958 122 HE21 GLN 16 HE21 GLN 16 58.219 -0.034 7.580 123 HE22 GLN 16 HE22 GLN 16 58.748 -1.568 8.083 124 H LYS 17 HN LYS 17 56.098 1.107 2.397 125 HA LYS 17 HA LYS 17 58.566 1.670 1.096 126 HB2 LYS 17 HB2 LYS 17 55.646 1.901 0.343 127 HB3 LYS 17 HB1 LYS 17 56.912 2.311 -0.816 128 HG2 LYS 17 HG2 LYS 17 57.209 0.132 -1.277 129 HG3 LYS 17 HG1 LYS 17 57.623 -0.171 0.411 130 HD2 LYS 17 HD2 LYS 17 55.542 -0.970 0.920 131 HD3 LYS 17 HD1 LYS 17 54.730 0.173 -0.150 132 HE2 LYS 17 HE2 LYS 17 55.594 -1.194 -2.108 133 HE3 LYS 17 HE1 LYS 17 56.111 -2.411 -0.923 134 HZ1 LYS 17 HZ1 LYS 17 53.860 -2.881 -1.648 135 HZ2 LYS 17 HZ2 LYS 17 53.357 -1.315 -1.221 136 HZ3 LYS 17 HZ3 LYS 17 53.846 -2.414 -0.018 137 H ASN 18 HN ASN 18 55.958 3.864 2.156 138 HA ASN 18 HA ASN 18 57.148 6.271 1.032 139 HB2 ASN 18 HB2 ASN 18 55.038 6.935 1.502 140 HB3 ASN 18 HB1 ASN 18 54.748 5.415 2.337 141 HD21 ASN 18 HD21 ASN 18 56.020 8.730 2.868 142 HD22 ASN 18 HD22 ASN 18 55.680 8.759 4.530 143 H GLU 19 HN GLU 19 57.349 4.598 4.157 144 HA GLU 19 HA GLU 19 58.592 6.676 5.680 145 HB2 GLU 19 HB2 GLU 19 58.508 5.041 7.263 146 HB3 GLU 19 HB1 GLU 19 57.749 4.031 6.040 147 HG2 GLU 19 HG2 GLU 19 59.920 3.124 5.385 148 HG3 GLU 19 HG1 GLU 19 60.743 4.218 6.496 149 H PHE 20 HN PHE 20 59.931 4.211 3.487 150 HA PHE 20 HA PHE 20 62.717 4.947 3.977 151 HB2 PHE 20 HB2 PHE 20 61.301 3.344 1.817 152 HB3 PHE 20 HB1 PHE 20 63.054 3.417 2.005 153 HD1 PHE 20 HD1 PHE 20 63.548 3.287 4.831 154 HD2 PHE 20 HD2 PHE 20 60.519 1.271 2.550 155 HE1 PHE 20 HE1 PHE 20 63.412 1.525 6.568 156 HE2 PHE 20 HE2 PHE 20 60.386 -0.494 4.288 157 HZ PHE 20 HZ PHE 20 61.834 -0.367 6.297 158 H LYS 21 HN LYS 21 60.276 5.684 1.481 159 HA LYS 21 HA LYS 21 61.954 7.147 -0.313 160 HB2 LYS 21 HB2 LYS 21 59.303 6.362 -0.097 161 HB3 LYS 21 HB1 LYS 21 59.196 8.117 0.036 162 HG2 LYS 21 HG2 LYS 21 60.786 6.739 -2.139 163 HG3 LYS 21 HG1 LYS 21 59.093 7.193 -2.335 164 HD2 LYS 21 HD2 LYS 21 61.058 9.250 -1.363 165 HD3 LYS 21 HD1 LYS 21 60.981 8.870 -3.086 166 HE2 LYS 21 HE2 LYS 21 58.877 9.791 -3.337 167 HE3 LYS 21 HE1 LYS 21 58.371 9.341 -1.698 168 HZ1 LYS 21 HZ1 LYS 21 58.745 11.719 -1.810 169 HZ2 LYS 21 HZ2 LYS 21 60.315 11.482 -2.412 170 HZ3 LYS 21 HZ3 LYS 21 59.933 11.010 -0.828 171 H ALA 22 HN ALA 22 60.139 8.160 2.597 172 HA ALA 22 HA ALA 22 60.543 10.976 2.441 173 HB1 ALA 22 HB1 ALA 22 59.012 10.053 4.027 174 HB2 ALA 22 HB2 ALA 22 60.318 10.733 4.997 175 HB3 ALA 22 HB3 ALA 22 60.243 8.993 4.713 176 H ALA 23 HN ALA 23 62.617 8.412 3.849 177 HA ALA 23 HA ALA 23 64.666 10.225 4.830 178 HB1 ALA 23 HB1 ALA 23 65.924 8.082 5.090 179 HB2 ALA 23 HB2 ALA 23 64.677 7.261 4.154 180 HB3 ALA 23 HB3 ALA 23 64.284 7.962 5.724 181 H PHE 24 HN PHE 24 64.253 8.276 1.880 182 HA PHE 24 HA PHE 24 66.748 8.621 0.619 183 HB2 PHE 24 HB2 PHE 24 64.535 7.343 0.024 184 HB3 PHE 24 HB1 PHE 24 64.122 8.823 -0.838 185 HD1 PHE 24 HD1 PHE 24 66.606 6.080 -0.590 186 HD2 PHE 24 HD2 PHE 24 65.175 9.402 -2.902 187 HE1 PHE 24 HE1 PHE 24 68.026 5.365 -2.485 188 HE2 PHE 24 HE2 PHE 24 66.602 8.689 -4.807 189 HZ PHE 24 HZ PHE 24 68.029 6.676 -4.598 190 H ASP 25 HN ASP 25 63.949 10.830 0.653 191 HA ASP 25 HA ASP 25 64.969 12.768 -1.202 192 HB2 ASP 25 HB2 ASP 25 62.878 12.602 0.939 193 HB3 ASP 25 HB1 ASP 25 63.248 14.181 0.247 194 H ILE 26 HN ILE 26 65.594 12.284 2.255 195 HA ILE 26 HA ILE 26 66.514 14.905 2.938 196 HB ILE 26 HB ILE 26 67.141 12.109 3.921 197 HG12 ILE 26 HG12 ILE 26 65.538 14.395 5.108 198 HG13 ILE 26 HG11 ILE 26 64.838 13.039 4.223 199 HG21 ILE 26 HG21 ILE 26 68.024 13.345 5.987 200 HG22 ILE 26 HG22 ILE 26 68.105 14.783 4.971 201 HG23 ILE 26 HG23 ILE 26 69.075 13.367 4.572 202 HD11 ILE 26 HD11 ILE 26 64.670 12.128 6.318 203 HD12 ILE 26 HD12 ILE 26 65.968 13.127 6.969 204 HD13 ILE 26 HD13 ILE 26 66.350 11.691 6.024 205 H PHE 27 HN PHE 27 68.386 12.069 1.774 206 HA PHE 27 HA PHE 27 70.822 13.718 1.546 207 HB2 PHE 27 HB2 PHE 27 71.078 11.194 0.180 208 HB3 PHE 27 HB1 PHE 27 71.855 11.720 1.663 209 HD1 PHE 27 HD1 PHE 27 70.446 11.539 3.854 210 HD2 PHE 27 HD2 PHE 27 69.517 9.442 0.223 211 HE1 PHE 27 HE1 PHE 27 69.085 9.908 5.137 212 HE2 PHE 27 HE2 PHE 27 68.158 7.819 1.505 213 HZ PHE 27 HZ PHE 27 67.942 8.053 3.967 214 H VAL 28 HN VAL 28 68.304 12.491 -0.615 215 HA VAL 28 HA VAL 28 69.663 13.098 -3.091 216 HB VAL 28 HB VAL 28 66.773 12.751 -2.253 217 HG11 VAL 28 HG11 VAL 28 67.719 12.839 -5.119 218 HG12 VAL 28 HG12 VAL 28 67.125 14.288 -4.309 219 HG13 VAL 28 HG13 VAL 28 66.066 12.892 -4.512 220 HG21 VAL 28 HG21 VAL 28 68.044 10.709 -2.206 221 HG22 VAL 28 HG22 VAL 28 68.816 11.085 -3.743 222 HG23 VAL 28 HG23 VAL 28 67.104 10.672 -3.695 223 H GLN 29 HN GLN 29 67.685 15.020 -0.858 224 HA GLN 29 HA GLN 29 67.205 17.303 -2.512 225 HB2 GLN 29 HB2 GLN 29 66.123 16.838 -0.341 226 HB3 GLN 29 HB1 GLN 29 67.668 17.040 0.482 227 HG2 GLN 29 HG2 GLN 29 66.610 19.134 0.752 228 HG3 GLN 29 HG1 GLN 29 67.710 19.394 -0.604 229 HE21 GLN 29 HE21 GLN 29 64.287 18.822 0.224 230 HE22 GLN 29 HE22 GLN 29 63.670 19.371 -1.259 231 H GLY 30 HN GLY 30 69.948 16.478 -0.370 232 HA2 GLY 30 HA2 GLY 30 71.382 18.961 -0.965 233 HA3 GLY 30 HA1 GLY 30 72.018 17.588 -0.055 234 H ALA 31 HN ALA 31 71.463 15.595 -2.096 235 HA ALA 31 HA ALA 31 73.836 15.951 -3.767 236 HB1 ALA 31 HB1 ALA 31 73.318 13.759 -2.940 237 HB2 ALA 31 HB2 ALA 31 72.939 13.703 -4.660 238 HB3 ALA 31 HB3 ALA 31 71.643 13.877 -3.478 239 H GLU 32 HN GLU 32 73.555 17.532 -5.371 240 HA GLU 32 HA GLU 32 71.169 18.218 -6.736 241 HB2 GLU 32 HB2 GLU 32 73.761 19.064 -6.666 242 HB3 GLU 32 HB1 GLU 32 73.706 18.320 -8.267 243 HG2 GLU 32 HG2 GLU 32 71.887 19.714 -8.956 244 HG3 GLU 32 HG1 GLU 32 71.608 20.278 -7.308 245 H ASP 33 HN ASP 33 73.353 15.513 -7.297 246 HA ASP 33 HA ASP 33 72.645 14.840 -9.979 247 HB2 ASP 33 HB2 ASP 33 73.724 13.449 -7.545 248 HB3 ASP 33 HB1 ASP 33 73.308 12.482 -8.958 249 H GLY 34 HN GLY 34 70.996 14.221 -6.905 250 HA2 GLY 34 HA2 GLY 34 68.695 13.673 -6.622 251 HA3 GLY 34 HA1 GLY 34 68.580 13.355 -8.352 252 H SER 35 HN SER 35 71.295 11.782 -7.137 253 HA SER 35 HA SER 35 69.763 9.285 -6.536 254 HB2 SER 35 HB2 SER 35 71.449 8.104 -7.960 255 HB3 SER 35 HB1 SER 35 70.497 9.271 -8.871 256 HG SER 35 HG SER 35 72.222 10.486 -9.125 257 H ILE 36 HN ILE 36 71.327 7.616 -5.526 258 HA ILE 36 HA ILE 36 73.088 9.044 -3.563 259 HB ILE 36 HB ILE 36 71.861 6.273 -3.433 260 HG12 ILE 36 HG12 ILE 36 70.165 8.160 -3.724 261 HG13 ILE 36 HG11 ILE 36 69.986 7.200 -2.258 262 HG21 ILE 36 HG21 ILE 36 72.963 8.146 -1.310 263 HG22 ILE 36 HG22 ILE 36 73.689 6.632 -1.849 264 HG23 ILE 36 HG23 ILE 36 72.156 6.613 -0.979 265 HD11 ILE 36 HD11 ILE 36 71.397 9.878 -2.452 266 HD12 ILE 36 HD12 ILE 36 71.237 8.910 -0.986 267 HD13 ILE 36 HD13 ILE 36 69.803 9.604 -1.747 268 H SER 37 HN SER 37 75.265 8.551 -3.531 269 HA SER 37 HA SER 37 76.286 6.533 -5.464 270 HB2 SER 37 HB2 SER 37 77.913 8.101 -5.664 271 HB3 SER 37 HB1 SER 37 77.095 9.083 -4.455 272 HG SER 37 HG SER 37 78.673 8.612 -3.156 273 H THR 38 HN THR 38 78.002 4.994 -4.659 274 HA THR 38 HA THR 38 77.134 3.466 -2.405 275 HB THR 38 HB THR 38 79.350 2.314 -2.739 276 HG1 THR 38 HG1 THR 38 80.820 3.179 -4.040 277 HG21 THR 38 HG21 THR 38 78.148 1.244 -4.307 278 HG22 THR 38 HG22 THR 38 78.767 2.396 -5.491 279 HG23 THR 38 HG23 THR 38 77.235 2.706 -4.675 280 H LYS 39 HN LYS 39 79.592 6.008 -2.681 281 HA LYS 39 HA LYS 39 80.773 5.676 -0.070 282 HB2 LYS 39 HB2 LYS 39 81.416 6.987 -2.286 283 HB3 LYS 39 HB1 LYS 39 80.550 8.307 -1.501 284 HG2 LYS 39 HG2 LYS 39 82.341 7.001 0.374 285 HG3 LYS 39 HG1 LYS 39 83.217 7.546 -1.059 286 HD2 LYS 39 HD2 LYS 39 81.289 9.306 0.476 287 HD3 LYS 39 HD1 LYS 39 83.027 9.286 0.770 288 HE2 LYS 39 HE2 LYS 39 82.722 9.524 -2.039 289 HE3 LYS 39 HE1 LYS 39 81.578 10.670 -1.312 290 HZ1 LYS 39 HZ1 LYS 39 83.283 11.618 0.003 291 HZ2 LYS 39 HZ2 LYS 39 83.925 11.508 -1.567 292 HZ3 LYS 39 HZ3 LYS 39 84.382 10.385 -0.376 293 H GLU 40 HN GLU 40 77.900 7.353 -1.242 294 HA GLU 40 HA GLU 40 77.472 8.782 1.308 295 HB2 GLU 40 HB2 GLU 40 76.355 8.699 -1.459 296 HB3 GLU 40 HB1 GLU 40 75.269 9.244 -0.180 297 HG2 GLU 40 HG2 GLU 40 76.493 11.147 -1.186 298 HG3 GLU 40 HG1 GLU 40 76.911 10.941 0.512 299 H LEU 41 HN LEU 41 76.354 5.887 -0.354 300 HA LEU 41 HA LEU 41 73.901 5.340 0.918 301 HB2 LEU 41 HB2 LEU 41 75.532 4.150 -0.891 302 HB3 LEU 41 HB1 LEU 41 75.830 3.111 0.498 303 HG LEU 41 HG LEU 41 73.974 2.252 -0.894 304 HD11 LEU 41 HD11 LEU 41 72.881 1.512 0.936 305 HD12 LEU 41 HD12 LEU 41 72.452 3.140 1.456 306 HD13 LEU 41 HD13 LEU 41 74.042 2.481 1.839 307 HD21 LEU 41 HD21 LEU 41 72.396 4.682 -0.048 308 HD22 LEU 41 HD22 LEU 41 71.971 3.467 -1.254 309 HD23 LEU 41 HD23 LEU 41 73.260 4.623 -1.585 310 H GLY 42 HN GLY 42 77.216 4.807 2.119 311 HA2 GLY 42 HA2 GLY 42 76.674 3.190 4.376 312 HA3 GLY 42 HA1 GLY 42 78.034 4.304 4.255 313 H LYS 43 HN LYS 43 77.059 6.767 4.362 314 HA LYS 43 HA LYS 43 76.237 7.174 7.068 315 HB2 LYS 43 HB2 LYS 43 76.117 8.883 4.566 316 HB3 LYS 43 HB1 LYS 43 75.714 9.513 6.160 317 HG2 LYS 43 HG2 LYS 43 77.907 9.355 6.928 318 HG3 LYS 43 HG1 LYS 43 78.326 8.084 5.778 319 HD2 LYS 43 HD2 LYS 43 77.708 10.951 5.003 320 HD3 LYS 43 HD1 LYS 43 79.340 10.303 5.191 321 HE2 LYS 43 HE2 LYS 43 78.234 8.422 3.536 322 HE3 LYS 43 HE1 LYS 43 77.391 9.888 3.000 323 HZ1 LYS 43 HZ1 LYS 43 80.279 9.317 3.032 324 HZ2 LYS 43 HZ2 LYS 43 79.758 10.925 3.202 325 HZ3 LYS 43 HZ3 LYS 43 79.346 10.038 1.814 326 H VAL 44 HN VAL 44 74.381 6.914 4.048 327 HA VAL 44 HA VAL 44 71.817 7.715 5.048 328 HB VAL 44 HB VAL 44 72.846 6.001 2.788 329 HG11 VAL 44 HG11 VAL 44 70.708 4.989 3.416 330 HG12 VAL 44 HG12 VAL 44 70.502 5.917 1.931 331 HG13 VAL 44 HG13 VAL 44 69.944 6.578 3.465 332 HG21 VAL 44 HG21 VAL 44 71.553 7.938 1.580 333 HG22 VAL 44 HG22 VAL 44 73.126 8.274 2.302 334 HG23 VAL 44 HG23 VAL 44 71.650 8.736 3.149 335 H MET 45 HN MET 45 73.310 4.476 4.752 336 HA MET 45 HA MET 45 71.119 2.973 5.808 337 HB2 MET 45 HB2 MET 45 74.101 2.612 5.560 338 HB3 MET 45 HB1 MET 45 73.118 1.379 6.347 339 HG2 MET 45 HG2 MET 45 72.070 2.352 3.764 340 HG3 MET 45 HG1 MET 45 73.579 1.449 3.672 341 HE1 MET 45 HE1 MET 45 70.463 1.014 6.247 342 HE2 MET 45 HE2 MET 45 69.470 0.129 5.089 343 HE3 MET 45 HE3 MET 45 70.053 1.741 4.679 344 H ARG 46 HN ARG 46 74.009 4.340 7.414 345 HA ARG 46 HA ARG 46 73.543 3.393 10.042 346 HB2 ARG 46 HB2 ARG 46 75.406 4.889 8.762 347 HB3 ARG 46 HB1 ARG 46 74.587 6.152 9.682 348 HG2 ARG 46 HG2 ARG 46 74.923 3.932 11.430 349 HG3 ARG 46 HG1 ARG 46 76.468 4.198 10.622 350 HD2 ARG 46 HD2 ARG 46 76.789 6.240 11.617 351 HD3 ARG 46 HD1 ARG 46 75.060 6.646 11.569 352 HE ARG 46 HE ARG 46 74.725 5.229 13.540 353 HH11 ARG 46 HH21 ARG 46 76.915 7.067 14.420 354 HH12 ARG 46 HH22 ARG 46 78.067 5.962 15.087 355 HH21 ARG 46 HH11 ARG 46 76.664 3.185 13.548 356 HH22 ARG 46 HH12 ARG 46 77.941 3.752 14.568 357 H MET 47 HN MET 47 72.093 6.132 8.328 358 HA MET 47 HA MET 47 70.850 7.374 10.635 359 HB2 MET 47 HB2 MET 47 71.376 8.381 8.368 360 HB3 MET 47 HB1 MET 47 70.029 7.450 7.714 361 HG2 MET 47 HG2 MET 47 68.565 8.537 9.487 362 HG3 MET 47 HG1 MET 47 69.918 9.611 9.831 363 HE1 MET 47 HE1 MET 47 67.513 8.406 6.717 364 HE2 MET 47 HE2 MET 47 66.730 9.981 6.815 365 HE3 MET 47 HE3 MET 47 66.895 8.999 8.267 366 H LEU 48 HN LEU 48 69.902 4.739 8.456 367 HA LEU 48 HA LEU 48 67.122 4.717 9.487 368 HB2 LEU 48 HB2 LEU 48 68.597 3.758 7.183 369 HB3 LEU 48 HB1 LEU 48 67.661 2.446 7.898 370 HG LEU 48 HG LEU 48 66.403 5.148 7.437 371 HD11 LEU 48 HD11 LEU 48 66.977 2.976 5.444 372 HD12 LEU 48 HD12 LEU 48 67.022 4.726 5.232 373 HD13 LEU 48 HD13 LEU 48 65.473 3.887 5.319 374 HD21 LEU 48 HD21 LEU 48 64.375 3.983 7.679 375 HD22 LEU 48 HD22 LEU 48 65.421 3.165 8.838 376 HD23 LEU 48 HD23 LEU 48 65.109 2.436 7.265 377 H GLY 49 HN GLY 49 70.112 3.366 10.453 378 HA2 GLY 49 HA2 GLY 49 70.133 2.125 12.591 379 HA3 GLY 49 HA1 GLY 49 68.655 1.317 12.073 380 H GLN 50 HN GLN 50 71.473 1.877 10.014 381 HA GLN 50 HA GLN 50 71.895 -1.089 9.872 382 HB2 GLN 50 HB2 GLN 50 71.425 1.005 7.919 383 HB3 GLN 50 HB1 GLN 50 72.968 0.225 7.610 384 HG2 GLN 50 HG2 GLN 50 70.280 -1.135 7.881 385 HG3 GLN 50 HG1 GLN 50 71.225 -0.956 6.401 386 HE21 GLN 50 HE21 GLN 50 73.338 -2.172 6.319 387 HE22 GLN 50 HE22 GLN 50 73.530 -3.568 7.265 388 H ASN 51 HN ASN 51 74.199 -1.699 9.439 389 HA ASN 51 HA ASN 51 76.181 0.404 10.190 390 HB2 ASN 51 HB2 ASN 51 75.127 -1.301 12.004 391 HB3 ASN 51 HB1 ASN 51 76.455 -2.298 11.410 392 HD21 ASN 51 HD21 ASN 51 78.485 -1.874 12.306 393 HD22 ASN 51 HD22 ASN 51 78.880 -0.473 13.181 394 HA PRO 52 HA PRO 52 77.673 -2.751 6.983 395 HB2 PRO 52 HB2 PRO 52 77.188 -1.413 4.654 396 HB3 PRO 52 HB1 PRO 52 76.004 -2.510 5.390 397 HG2 PRO 52 HG2 PRO 52 76.097 0.457 5.410 398 HG3 PRO 52 HG1 PRO 52 74.704 -0.626 5.328 399 HD2 PRO 52 HD2 PRO 52 75.550 0.693 7.587 400 HD3 PRO 52 HD1 PRO 52 74.543 -0.771 7.579 401 H THR 53 HN THR 53 79.873 -2.532 6.423 402 HA THR 53 HA THR 53 81.216 0.003 6.953 403 HB THR 53 HB THR 53 83.213 -1.401 6.151 404 HG1 THR 53 HG1 THR 53 82.831 -3.323 5.404 405 HG21 THR 53 HG21 THR 53 82.983 -2.999 8.139 406 HG22 THR 53 HG22 THR 53 81.398 -2.272 8.401 407 HG23 THR 53 HG23 THR 53 82.851 -1.277 8.493 408 HA PRO 54 HA PRO 54 81.229 1.752 2.956 409 HB2 PRO 54 HB2 PRO 54 83.728 2.870 2.822 410 HB3 PRO 54 HB1 PRO 54 82.407 3.516 3.814 411 HG2 PRO 54 HG2 PRO 54 84.721 1.825 4.621 412 HG3 PRO 54 HG1 PRO 54 83.979 3.196 5.459 413 HD2 PRO 54 HD2 PRO 54 83.508 0.613 6.151 414 HD3 PRO 54 HD1 PRO 54 82.313 1.911 6.372 415 H GLU 55 HN GLU 55 84.331 -0.075 3.459 416 HA GLU 55 HA GLU 55 84.820 -0.390 0.631 417 HB2 GLU 55 HB2 GLU 55 86.730 -1.443 1.347 418 HB3 GLU 55 HB1 GLU 55 86.275 -0.711 2.879 419 HG2 GLU 55 HG2 GLU 55 85.125 -3.400 2.265 420 HG3 GLU 55 HG1 GLU 55 86.839 -3.324 2.654 421 H GLU 56 HN GLU 56 82.992 -2.337 2.960 422 HA GLU 56 HA GLU 56 82.588 -4.559 1.074 423 HB2 GLU 56 HB2 GLU 56 81.688 -3.792 3.845 424 HB3 GLU 56 HB1 GLU 56 80.936 -5.157 3.020 425 HG2 GLU 56 HG2 GLU 56 83.928 -4.856 3.411 426 HG3 GLU 56 HG1 GLU 56 82.886 -5.812 4.465 427 H LEU 57 HN LEU 57 80.722 -1.782 2.305 428 HA LEU 57 HA LEU 57 78.173 -2.394 1.237 429 HB2 LEU 57 HB2 LEU 57 78.658 -0.554 2.788 430 HB3 LEU 57 HB1 LEU 57 79.611 0.263 1.551 431 HG LEU 57 HG LEU 57 77.432 0.136 0.123 432 HD11 LEU 57 HD11 LEU 57 76.185 -1.360 1.622 433 HD12 LEU 57 HD12 LEU 57 75.378 0.207 1.523 434 HD13 LEU 57 HD13 LEU 57 76.350 -0.197 2.938 435 HD21 LEU 57 HD21 LEU 57 77.717 2.327 0.571 436 HD22 LEU 57 HD22 LEU 57 78.390 1.976 2.160 437 HD23 LEU 57 HD23 LEU 57 76.645 2.102 1.955 438 H GLN 58 HN GLN 58 81.033 -0.987 -0.362 439 HA GLN 58 HA GLN 58 79.904 -0.085 -2.788 440 HB2 GLN 58 HB2 GLN 58 82.323 -0.043 -1.855 441 HB3 GLN 58 HB1 GLN 58 82.487 -1.643 -2.577 442 HG2 GLN 58 HG2 GLN 58 81.278 0.234 -4.450 443 HG3 GLN 58 HG1 GLN 58 82.845 0.813 -3.882 444 HE21 GLN 58 HE21 GLN 58 81.342 -1.354 -6.087 445 HE22 GLN 58 HE22 GLN 58 82.730 -2.235 -6.513 446 H GLU 59 HN GLU 59 81.153 -3.369 -2.046 447 HA GLU 59 HA GLU 59 80.287 -4.561 -4.531 448 HB2 GLU 59 HB2 GLU 59 82.076 -5.430 -3.048 449 HB3 GLU 59 HB1 GLU 59 80.875 -5.760 -1.799 450 HG2 GLU 59 HG2 GLU 59 81.276 -7.833 -2.979 451 HG3 GLU 59 HG1 GLU 59 79.685 -7.250 -3.465 452 H MET 60 HN MET 60 78.849 -4.373 -1.274 453 HA MET 60 HA MET 60 76.580 -6.052 -1.683 454 HB2 MET 60 HB2 MET 60 77.651 -4.250 0.249 455 HB3 MET 60 HB1 MET 60 75.966 -3.799 -0.006 456 HG2 MET 60 HG2 MET 60 75.697 -6.487 0.106 457 HG3 MET 60 HG1 MET 60 77.105 -6.290 1.152 458 HE1 MET 60 HE1 MET 60 74.061 -3.406 0.942 459 HE2 MET 60 HE2 MET 60 72.922 -4.661 1.425 460 HE3 MET 60 HE3 MET 60 73.955 -4.913 0.016 461 H ILE 61 HN ILE 61 77.046 -2.577 -2.312 462 HA ILE 61 HA ILE 61 74.332 -2.075 -3.207 463 HB ILE 61 HB ILE 61 77.010 -0.692 -3.272 464 HG12 ILE 61 HG12 ILE 61 74.305 0.074 -2.123 465 HG13 ILE 61 HG11 ILE 61 75.608 -0.700 -1.220 466 HG21 ILE 61 HG21 ILE 61 75.624 1.301 -4.234 467 HG22 ILE 61 HG22 ILE 61 74.552 0.039 -4.849 468 HG23 ILE 61 HG23 ILE 61 76.245 0.076 -5.340 469 HD11 ILE 61 HD11 ILE 61 75.538 2.080 -2.391 470 HD12 ILE 61 HD12 ILE 61 77.070 1.284 -2.027 471 HD13 ILE 61 HD13 ILE 61 75.906 1.588 -0.739 472 H ASP 62 HN ASP 62 77.455 -2.502 -4.939 473 HA ASP 62 HA ASP 62 76.480 -2.346 -7.600 474 HB2 ASP 62 HB2 ASP 62 78.821 -3.527 -6.170 475 HB3 ASP 62 HB1 ASP 62 78.560 -4.048 -7.835 476 H GLU 63 HN GLU 63 76.472 -5.084 -5.325 477 HA GLU 63 HA GLU 63 75.831 -7.202 -7.123 478 HB2 GLU 63 HB2 GLU 63 76.468 -7.284 -4.667 479 HB3 GLU 63 HB1 GLU 63 74.818 -6.788 -4.292 480 HG2 GLU 63 HG2 GLU 63 74.476 -8.899 -6.081 481 HG3 GLU 63 HG1 GLU 63 75.833 -9.413 -5.079 482 H VAL 64 HN VAL 64 73.681 -4.952 -5.346 483 HA VAL 64 HA VAL 64 71.255 -6.026 -6.617 484 HB VAL 64 HB VAL 64 71.655 -3.467 -5.021 485 HG11 VAL 64 HG11 VAL 64 69.289 -5.255 -5.638 486 HG12 VAL 64 HG12 VAL 64 69.481 -3.543 -6.016 487 HG13 VAL 64 HG13 VAL 64 69.264 -4.056 -4.344 488 HG21 VAL 64 HG21 VAL 64 71.286 -6.339 -4.123 489 HG22 VAL 64 HG22 VAL 64 70.920 -4.965 -3.077 490 HG23 VAL 64 HG23 VAL 64 72.567 -5.216 -3.657 491 H ASP 65 HN ASP 65 73.631 -3.572 -7.310 492 HA ASP 65 HA ASP 65 72.015 -1.896 -9.048 493 HB2 ASP 65 HB2 ASP 65 74.375 -1.639 -7.797 494 HB3 ASP 65 HB1 ASP 65 74.984 -2.226 -9.342 495 H GLU 66 HN GLU 66 71.000 -3.772 -10.290 496 HA GLU 66 HA GLU 66 72.681 -5.366 -12.077 497 HB2 GLU 66 HB2 GLU 66 69.718 -4.871 -11.717 498 HB3 GLU 66 HB1 GLU 66 70.335 -5.922 -12.994 499 HG2 GLU 66 HG2 GLU 66 71.365 -6.367 -10.223 500 HG3 GLU 66 HG1 GLU 66 69.715 -6.879 -10.571 501 H ASP 67 HN ASP 67 70.944 -2.311 -12.283 502 HA ASP 67 HA ASP 67 70.871 -2.062 -15.155 503 HB2 ASP 67 HB2 ASP 67 70.481 0.351 -14.558 504 HB3 ASP 67 HB1 ASP 67 69.435 -0.772 -13.697 505 H GLY 68 HN GLY 68 73.439 -1.603 -12.823 506 HA2 GLY 68 HA2 GLY 68 75.731 -1.301 -13.269 507 HA3 GLY 68 HA1 GLY 68 75.349 -1.148 -14.981 508 H SER 69 HN SER 69 74.610 0.712 -12.006 509 HA SER 69 HA SER 69 75.497 3.176 -13.480 510 HB2 SER 69 HB2 SER 69 73.683 4.348 -12.521 511 HB3 SER 69 HB1 SER 69 72.985 2.798 -12.972 512 HG SER 69 HG SER 69 73.037 3.921 -10.597 513 H GLY 70 HN GLY 70 75.473 1.389 -10.416 514 HA2 GLY 70 HA2 GLY 70 77.247 1.471 -8.805 515 HA3 GLY 70 HA1 GLY 70 77.799 2.983 -9.523 516 H THR 71 HN THR 71 74.668 3.632 -9.364 517 HA THR 71 HA THR 71 74.864 4.771 -6.605 518 HB THR 71 HB THR 71 73.221 6.415 -7.525 519 HG1 THR 71 HG1 THR 71 72.360 6.097 -9.422 520 HG21 THR 71 HG21 THR 71 75.968 6.056 -8.319 521 HG22 THR 71 HG22 THR 71 75.086 7.553 -8.016 522 HG23 THR 71 HG23 THR 71 75.067 6.827 -9.621 523 H VAL 72 HN VAL 72 73.101 4.478 -5.170 524 HA VAL 72 HA VAL 72 71.305 2.201 -5.809 525 HB VAL 72 HB VAL 72 71.841 3.781 -3.268 526 HG11 VAL 72 HG11 VAL 72 70.742 1.026 -3.157 527 HG12 VAL 72 HG12 VAL 72 69.625 2.250 -3.756 528 HG13 VAL 72 HG13 VAL 72 70.356 2.429 -2.163 529 HG21 VAL 72 HG21 VAL 72 72.824 1.064 -4.214 530 HG22 VAL 72 HG22 VAL 72 73.153 1.774 -2.632 531 HG23 VAL 72 HG23 VAL 72 73.802 2.528 -4.090 532 H ASP 73 HN ASP 73 69.138 2.450 -6.198 533 HA ASP 73 HA ASP 73 67.958 5.183 -5.868 534 HB2 ASP 73 HB2 ASP 73 66.684 4.712 -7.812 535 HB3 ASP 73 HB1 ASP 73 68.266 4.027 -8.168 536 H PHE 74 HN PHE 74 65.254 4.434 -6.086 537 HA PHE 74 HA PHE 74 64.614 3.649 -3.402 538 HB2 PHE 74 HB2 PHE 74 63.257 5.048 -4.985 539 HB3 PHE 74 HB1 PHE 74 62.895 3.586 -5.902 540 HD1 PHE 74 HD2 PHE 74 62.593 5.122 -2.509 541 HD2 PHE 74 HD1 PHE 74 61.159 2.122 -5.231 542 HE1 PHE 74 HE2 PHE 74 60.731 4.601 -0.955 543 HE2 PHE 74 HE1 PHE 74 59.299 1.601 -3.673 544 HZ PHE 74 HZ PHE 74 59.085 2.839 -1.537 545 H ASP 75 HN ASP 75 64.467 1.831 -6.487 546 HA ASP 75 HA ASP 75 63.365 -0.593 -5.450 547 HB2 ASP 75 HB2 ASP 75 63.407 -0.030 -7.807 548 HB3 ASP 75 HB1 ASP 75 65.168 0.043 -7.806 549 H GLU 76 HN GLU 76 66.805 0.223 -6.122 550 HA GLU 76 HA GLU 76 67.991 -2.183 -5.198 551 HB2 GLU 76 HB2 GLU 76 68.721 0.550 -5.882 552 HB3 GLU 76 HB1 GLU 76 69.720 -0.056 -4.561 553 HG2 GLU 76 HG2 GLU 76 70.711 -1.666 -5.865 554 HG3 GLU 76 HG1 GLU 76 69.259 -1.924 -6.829 555 H PHE 77 HN PHE 77 67.198 0.788 -3.373 556 HA PHE 77 HA PHE 77 68.297 0.017 -0.849 557 HB2 PHE 77 HB2 PHE 77 67.066 2.192 -1.957 558 HB3 PHE 77 HB1 PHE 77 65.798 1.613 -0.877 559 HD1 PHE 77 HD1 PHE 77 67.009 0.620 1.468 560 HD2 PHE 77 HD2 PHE 77 68.359 3.877 -0.993 561 HE1 PHE 77 HE1 PHE 77 68.231 1.572 3.397 562 HE2 PHE 77 HE2 PHE 77 69.579 4.823 0.943 563 HZ PHE 77 HZ PHE 77 69.516 3.673 3.139 564 H LEU 78 HN LEU 78 65.093 -0.571 -2.288 565 HA LEU 78 HA LEU 78 63.840 -1.751 0.018 566 HB2 LEU 78 HB2 LEU 78 63.366 -1.299 -2.813 567 HB3 LEU 78 HB1 LEU 78 62.788 -2.896 -2.339 568 HG LEU 78 HG LEU 78 61.701 -1.689 -0.328 569 HD11 LEU 78 HD11 LEU 78 63.112 0.444 -1.142 570 HD12 LEU 78 HD12 LEU 78 61.552 0.615 -0.337 571 HD13 LEU 78 HD13 LEU 78 61.653 0.720 -2.095 572 HD21 LEU 78 HD21 LEU 78 60.495 -2.610 -2.323 573 HD22 LEU 78 HD22 LEU 78 60.692 -1.046 -3.115 574 HD23 LEU 78 HD23 LEU 78 59.720 -1.176 -1.648 575 H VAL 79 HN VAL 79 65.338 -3.307 -2.860 576 HA VAL 79 HA VAL 79 65.210 -5.997 -1.844 577 HB VAL 79 HB VAL 79 66.903 -4.558 -3.903 578 HG11 VAL 79 HG11 VAL 79 67.162 -7.116 -4.653 579 HG12 VAL 79 HG12 VAL 79 67.047 -7.371 -2.912 580 HG13 VAL 79 HG13 VAL 79 68.321 -6.346 -3.570 581 HG21 VAL 79 HG21 VAL 79 64.349 -4.990 -4.123 582 HG22 VAL 79 HG22 VAL 79 64.804 -6.682 -4.342 583 HG23 VAL 79 HG23 VAL 79 65.383 -5.458 -5.474 584 H MET 80 HN MET 80 67.469 -3.358 -1.279 585 HA MET 80 HA MET 80 69.575 -5.048 -0.138 586 HB2 MET 80 HB2 MET 80 70.218 -3.002 -1.192 587 HB3 MET 80 HB1 MET 80 68.990 -2.080 -0.329 588 HG2 MET 80 HG2 MET 80 70.887 -3.490 1.430 589 HG3 MET 80 HG1 MET 80 71.627 -2.250 0.421 590 HE1 MET 80 HE1 MET 80 69.855 0.456 0.344 591 HE2 MET 80 HE2 MET 80 71.494 -0.182 0.416 592 HE3 MET 80 HE3 MET 80 70.919 0.899 1.682 593 H MET 81 HN MET 81 66.819 -3.160 1.071 594 HA MET 81 HA MET 81 67.566 -3.292 3.876 595 HB2 MET 81 HB2 MET 81 65.167 -2.548 2.228 596 HB3 MET 81 HB1 MET 81 64.980 -2.724 3.973 597 HG2 MET 81 HG2 MET 81 67.332 -1.227 3.665 598 HG3 MET 81 HG1 MET 81 66.221 -0.567 2.468 599 HE1 MET 81 HE1 MET 81 67.314 -0.736 6.052 600 HE2 MET 81 HE2 MET 81 66.487 0.723 6.594 601 HE3 MET 81 HE3 MET 81 67.511 0.781 5.161 602 H VAL 82 HN VAL 82 65.444 -5.276 1.789 603 HA VAL 82 HA VAL 82 64.275 -6.874 3.865 604 HB VAL 82 HB VAL 82 63.717 -8.394 2.003 605 HG11 VAL 82 HG11 VAL 82 63.490 -5.420 1.599 606 HG12 VAL 82 HG12 VAL 82 62.242 -6.576 2.062 607 HG13 VAL 82 HG13 VAL 82 62.831 -6.531 0.401 608 HG21 VAL 82 HG21 VAL 82 64.659 -7.247 -0.297 609 HG22 VAL 82 HG22 VAL 82 65.389 -8.653 0.478 610 HG23 VAL 82 HG23 VAL 82 66.041 -7.045 0.775 611 H ARG 83 HN ARG 83 67.393 -7.151 2.188 612 HA ARG 83 HA ARG 83 67.939 -9.793 3.420 613 HB2 ARG 83 HB2 ARG 83 69.789 -9.855 1.923 614 HB3 ARG 83 HB1 ARG 83 68.510 -9.050 1.020 615 HG2 ARG 83 HG2 ARG 83 69.525 -6.847 1.875 616 HG3 ARG 83 HG1 ARG 83 70.925 -7.812 2.343 617 HD2 ARG 83 HD2 ARG 83 70.518 -8.698 -0.222 618 HD3 ARG 83 HD1 ARG 83 70.034 -6.994 -0.354 619 HE ARG 83 HE ARG 83 72.337 -6.785 1.103 620 HH11 ARG 83 HH21 ARG 83 73.169 -9.461 0.047 621 HH12 ARG 83 HH22 ARG 83 74.008 -9.040 -1.408 622 HH21 ARG 83 HH11 ARG 83 72.747 -5.822 -1.520 623 HH22 ARG 83 HH12 ARG 83 73.767 -6.986 -2.292 624 H SER 84 HN SER 84 69.039 -6.405 3.758 625 HA SER 84 HA SER 84 71.061 -7.148 5.780 626 HB2 SER 84 HB2 SER 84 70.201 -4.746 4.254 627 HB3 SER 84 HB1 SER 84 70.938 -4.445 5.822 628 HG SER 84 HG SER 84 72.025 -5.460 3.489 629 H MET 85 HN MET 85 67.977 -5.317 5.714 630 HA MET 85 HA MET 85 67.957 -5.093 8.658 631 HB2 MET 85 HB2 MET 85 66.842 -3.230 8.018 632 HB3 MET 85 HB1 MET 85 66.782 -3.804 6.355 633 HG2 MET 85 HG2 MET 85 64.766 -5.125 6.878 634 HG3 MET 85 HG1 MET 85 64.825 -4.556 8.547 635 HE1 MET 85 HE1 MET 85 62.221 -3.842 8.050 636 HE2 MET 85 HE2 MET 85 62.495 -4.441 6.415 637 HE3 MET 85 HE3 MET 85 61.774 -2.851 6.650 638 H LYS 86 HN LYS 86 66.310 -6.964 6.132 639 HA LYS 86 HA LYS 86 65.005 -8.916 6.250 640 HB2 LYS 86 HB2 LYS 86 66.837 -9.577 7.811 641 HB3 LYS 86 HB1 LYS 86 65.908 -8.900 9.146 642 HG2 LYS 86 HG2 LYS 86 65.311 -11.169 9.218 643 HG3 LYS 86 HG1 LYS 86 63.989 -10.453 8.300 644 HD2 LYS 86 HD2 LYS 86 64.674 -12.424 7.107 645 HD3 LYS 86 HD1 LYS 86 65.273 -11.042 6.190 646 HE2 LYS 86 HE2 LYS 86 67.067 -12.692 6.357 647 HE3 LYS 86 HE1 LYS 86 67.491 -11.313 7.390 648 HZ1 LYS 86 HZ1 LYS 86 65.875 -13.495 8.528 649 HZ2 LYS 86 HZ2 LYS 86 66.968 -12.447 9.295 650 HZ3 LYS 86 HZ3 LYS 86 67.542 -13.731 8.348 651 H ASP 87 HN ASP 87 64.457 -7.682 9.574 652 HA ASP 87 HA ASP 87 61.666 -6.936 8.825 653 HB2 ASP 87 HB2 ASP 87 61.801 -9.357 9.528 654 HB3 ASP 87 HB1 ASP 87 62.411 -8.821 11.093 655 H ASP 88 HN ASP 88 60.630 -5.641 10.551 656 HA ASP 88 HA ASP 88 62.402 -3.693 11.739 657 HB2 ASP 88 HB2 ASP 88 59.517 -4.255 11.467 658 HB3 ASP 88 HB1 ASP 88 59.941 -3.352 12.922 659 H SER 89 HN SER 89 60.746 -6.571 13.014 660 HA SER 89 HA SER 89 60.987 -7.714 15.063 661 HB2 SER 89 HB2 SER 89 63.464 -6.718 14.257 662 HB3 SER 89 HB1 SER 89 63.347 -6.226 15.942 663 HG SER 89 HG SER 89 63.690 -8.699 14.854 Start of MODEL 18 1 H1 MET 1 HT1 MET 1 66.718 -14.238 -11.520 2 H2 MET 1 HT2 MET 1 66.385 -13.516 -10.023 3 H3 MET 1 HT3 MET 1 65.112 -14.082 -10.997 4 HA MET 1 HA MET 1 65.866 -16.371 -10.716 5 HB2 MET 1 HB2 MET 1 68.133 -14.823 -9.583 6 HB3 MET 1 HB1 MET 1 67.724 -16.300 -8.715 7 HG2 MET 1 HG2 MET 1 67.835 -17.561 -10.865 8 HG3 MET 1 HG1 MET 1 68.340 -16.080 -11.679 9 HE1 MET 1 HE1 MET 1 69.943 -17.115 -12.640 10 HE2 MET 1 HE2 MET 1 71.212 -18.143 -11.979 11 HE3 MET 1 HE3 MET 1 71.475 -16.407 -12.119 12 H ASP 2 HN ASP 2 66.417 -14.279 -7.827 13 HA ASP 2 HA ASP 2 64.261 -15.784 -6.421 14 HB2 ASP 2 HB2 ASP 2 66.819 -14.655 -5.759 15 HB3 ASP 2 HB1 ASP 2 65.591 -13.870 -4.766 16 H ASP 3 HN ASP 3 62.241 -14.846 -6.479 17 HA ASP 3 HA ASP 3 61.984 -11.930 -6.982 18 HB2 ASP 3 HB2 ASP 3 60.043 -14.255 -6.867 19 HB3 ASP 3 HB1 ASP 3 59.540 -12.590 -7.162 20 H ILE 4 HN ILE 4 62.244 -13.863 -4.229 21 HA ILE 4 HA ILE 4 60.216 -12.914 -2.485 22 HB ILE 4 HB ILE 4 61.847 -13.525 -0.708 23 HG12 ILE 4 HG12 ILE 4 63.806 -13.965 -2.985 24 HG13 ILE 4 HG11 ILE 4 63.843 -12.555 -1.924 25 HG21 ILE 4 HG21 ILE 4 61.304 -15.660 -1.136 26 HG22 ILE 4 HG22 ILE 4 62.461 -15.730 -2.465 27 HG23 ILE 4 HG23 ILE 4 60.814 -15.176 -2.757 28 HD11 ILE 4 HD11 ILE 4 64.777 -15.267 -1.417 29 HD12 ILE 4 HD12 ILE 4 63.660 -14.717 -0.170 30 HD13 ILE 4 HD13 ILE 4 65.116 -13.785 -0.523 31 H TYR 5 HN TYR 5 63.247 -11.364 -3.507 32 HA TYR 5 HA TYR 5 63.218 -9.245 -1.540 33 HB2 TYR 5 HB2 TYR 5 64.562 -9.891 -4.136 34 HB3 TYR 5 HB1 TYR 5 64.647 -8.224 -3.567 35 HD1 TYR 5 HD2 TYR 5 65.280 -7.906 -1.039 36 HD2 TYR 5 HD1 TYR 5 66.117 -11.449 -3.317 37 HE1 TYR 5 HE2 TYR 5 67.045 -8.535 0.583 38 HE2 TYR 5 HE1 TYR 5 67.883 -12.077 -1.696 39 HH TYR 5 HH TYR 5 68.154 -11.183 1.165 40 H LYS 6 HN LYS 6 61.985 -9.527 -4.868 41 HA LYS 6 HA LYS 6 60.974 -6.810 -5.026 42 HB2 LYS 6 HB2 LYS 6 61.442 -8.975 -6.715 43 HB3 LYS 6 HB1 LYS 6 59.682 -8.863 -6.686 44 HG2 LYS 6 HG2 LYS 6 60.115 -7.348 -8.372 45 HG3 LYS 6 HG1 LYS 6 60.213 -6.263 -6.985 46 HD2 LYS 6 HD2 LYS 6 62.765 -7.130 -7.015 47 HD3 LYS 6 HD1 LYS 6 62.395 -7.300 -8.732 48 HE2 LYS 6 HE2 LYS 6 61.569 -4.922 -8.736 49 HE3 LYS 6 HE1 LYS 6 62.125 -4.780 -7.058 50 HZ1 LYS 6 HZ1 LYS 6 64.321 -5.644 -7.869 51 HZ2 LYS 6 HZ2 LYS 6 63.922 -4.085 -8.410 52 HZ3 LYS 6 HZ3 LYS 6 63.756 -5.417 -9.454 53 H ALA 7 HN ALA 7 59.602 -9.971 -4.108 54 HA ALA 7 HA ALA 7 56.856 -9.163 -3.871 55 HB1 ALA 7 HB1 ALA 7 58.619 -11.355 -2.807 56 HB2 ALA 7 HB2 ALA 7 57.248 -11.469 -3.911 57 HB3 ALA 7 HB3 ALA 7 56.975 -11.198 -2.191 58 H ALA 8 HN ALA 8 59.617 -8.943 -1.655 59 HA ALA 8 HA ALA 8 58.160 -8.291 0.736 60 HB1 ALA 8 HB1 ALA 8 60.943 -8.062 -0.335 61 HB2 ALA 8 HB2 ALA 8 60.373 -8.849 1.139 62 HB3 ALA 8 HB3 ALA 8 60.547 -7.094 1.084 63 H VAL 9 HN VAL 9 59.561 -6.251 -1.856 64 HA VAL 9 HA VAL 9 58.984 -3.697 -0.724 65 HB VAL 9 HB VAL 9 59.112 -4.688 -3.589 66 HG11 VAL 9 HG11 VAL 9 59.874 -2.000 -3.498 67 HG12 VAL 9 HG12 VAL 9 58.418 -2.078 -2.506 68 HG13 VAL 9 HG13 VAL 9 58.380 -2.645 -4.176 69 HG21 VAL 9 HG21 VAL 9 61.290 -4.950 -2.969 70 HG22 VAL 9 HG22 VAL 9 61.094 -3.959 -1.521 71 HG23 VAL 9 HG23 VAL 9 61.361 -3.191 -3.086 72 H GLU 10 HN GLU 10 56.963 -5.765 -2.852 73 HA GLU 10 HA GLU 10 54.753 -3.874 -2.889 74 HB2 GLU 10 HB2 GLU 10 53.715 -5.497 -4.270 75 HB3 GLU 10 HB1 GLU 10 55.433 -5.689 -4.600 76 HG2 GLU 10 HG2 GLU 10 55.164 -7.875 -4.116 77 HG3 GLU 10 HG1 GLU 10 54.967 -7.392 -2.434 78 H GLN 11 HN GLN 11 55.662 -6.580 -0.794 79 HA GLN 11 HA GLN 11 53.010 -6.676 0.511 80 HB2 GLN 11 HB2 GLN 11 55.632 -8.125 0.684 81 HB3 GLN 11 HB1 GLN 11 54.505 -8.253 2.034 82 HG2 GLN 11 HG2 GLN 11 52.723 -8.966 0.433 83 HG3 GLN 11 HG1 GLN 11 53.923 -8.942 -0.861 84 HE21 GLN 11 HE21 GLN 11 55.688 -10.560 -0.752 85 HE22 GLN 11 HE22 GLN 11 55.522 -11.955 0.201 86 H LEU 12 HN LEU 12 55.873 -4.783 0.884 87 HA LEU 12 HA LEU 12 56.046 -4.487 3.715 88 HB2 LEU 12 HB2 LEU 12 56.769 -2.908 1.278 89 HB3 LEU 12 HB1 LEU 12 56.848 -2.083 2.837 90 HG LEU 12 HG LEU 12 58.196 -4.734 2.237 91 HD11 LEU 12 HD11 LEU 12 59.212 -2.939 0.917 92 HD12 LEU 12 HD12 LEU 12 60.291 -3.400 2.233 93 HD13 LEU 12 HD13 LEU 12 59.332 -1.924 2.350 94 HD21 LEU 12 HD21 LEU 12 59.511 -3.751 4.350 95 HD22 LEU 12 HD22 LEU 12 58.050 -4.723 4.538 96 HD23 LEU 12 HD23 LEU 12 57.957 -2.964 4.633 97 H THR 13 HN THR 13 55.204 -2.738 5.075 98 HA THR 13 HA THR 13 52.381 -2.196 4.620 99 HB THR 13 HB THR 13 52.925 -0.760 6.786 100 HG1 THR 13 HG1 THR 13 54.919 -0.886 7.414 101 HG21 THR 13 HG21 THR 13 52.002 -2.576 7.742 102 HG22 THR 13 HG22 THR 13 53.501 -3.480 7.534 103 HG23 THR 13 HG23 THR 13 52.293 -3.468 6.251 104 H GLU 14 HN GLU 14 51.390 -0.069 4.450 105 HA GLU 14 HA GLU 14 52.554 1.705 2.538 106 HB2 GLU 14 HB2 GLU 14 50.094 1.275 3.455 107 HB3 GLU 14 HB1 GLU 14 50.492 2.628 4.514 108 HG2 GLU 14 HG2 GLU 14 49.962 4.017 2.821 109 HG3 GLU 14 HG1 GLU 14 51.365 3.405 1.948 110 H GLU 15 HN GLU 15 52.211 2.046 6.083 111 HA GLU 15 HA GLU 15 53.370 4.601 6.412 112 HB2 GLU 15 HB2 GLU 15 53.972 3.653 8.716 113 HB3 GLU 15 HB1 GLU 15 52.281 3.505 8.246 114 HG2 GLU 15 HG2 GLU 15 52.488 1.302 8.735 115 HG3 GLU 15 HG1 GLU 15 53.417 1.171 7.246 116 H GLN 16 HN GLN 16 54.977 1.424 6.153 117 HA GLN 16 HA GLN 16 57.654 2.190 6.719 118 HB2 GLN 16 HB2 GLN 16 56.258 -0.063 5.954 119 HB3 GLN 16 HB1 GLN 16 57.203 0.271 4.504 120 HG2 GLN 16 HG2 GLN 16 58.843 0.633 6.832 121 HG3 GLN 16 HG1 GLN 16 58.080 -0.950 6.891 122 HE21 GLN 16 HE21 GLN 16 59.065 0.826 3.925 123 HE22 GLN 16 HE22 GLN 16 60.196 -0.334 3.427 124 H LYS 17 HN LYS 17 56.101 1.828 3.544 125 HA LYS 17 HA LYS 17 58.094 2.904 1.879 126 HB2 LYS 17 HB2 LYS 17 55.112 2.674 1.868 127 HB3 LYS 17 HB1 LYS 17 55.861 3.644 0.601 128 HG2 LYS 17 HG2 LYS 17 56.789 1.829 -0.417 129 HG3 LYS 17 HG1 LYS 17 57.168 1.044 1.115 130 HD2 LYS 17 HD2 LYS 17 54.434 0.942 1.145 131 HD3 LYS 17 HD1 LYS 17 54.758 0.786 -0.582 132 HE2 LYS 17 HE2 LYS 17 56.495 -1.005 0.072 133 HE3 LYS 17 HE1 LYS 17 55.723 -0.994 1.667 134 HZ1 LYS 17 HZ1 LYS 17 54.055 -1.165 -0.758 135 HZ2 LYS 17 HZ2 LYS 17 53.723 -1.713 0.814 136 HZ3 LYS 17 HZ3 LYS 17 54.814 -2.564 -0.171 137 H ASN 18 HN ASN 18 55.441 4.680 3.528 138 HA ASN 18 HA ASN 18 56.107 7.289 2.572 139 HB2 ASN 18 HB2 ASN 18 54.187 7.658 3.714 140 HB3 ASN 18 HB1 ASN 18 54.261 6.005 4.311 141 HD21 ASN 18 HD21 ASN 18 55.501 9.301 5.085 142 HD22 ASN 18 HD22 ASN 18 55.547 9.044 6.760 143 H GLU 19 HN GLU 19 57.254 5.463 5.426 144 HA GLU 19 HA GLU 19 58.865 7.606 6.528 145 HB2 GLU 19 HB2 GLU 19 58.935 4.579 6.790 146 HB3 GLU 19 HB1 GLU 19 59.869 5.673 7.807 147 HG2 GLU 19 HG2 GLU 19 56.858 5.843 7.543 148 HG3 GLU 19 HG1 GLU 19 57.656 4.892 8.792 149 H PHE 20 HN PHE 20 59.505 4.914 4.293 150 HA PHE 20 HA PHE 20 62.360 5.234 4.102 151 HB2 PHE 20 HB2 PHE 20 60.136 3.898 2.606 152 HB3 PHE 20 HB1 PHE 20 61.684 4.054 1.783 153 HD1 PHE 20 HD1 PHE 20 61.187 3.615 5.462 154 HD2 PHE 20 HD2 PHE 20 62.398 1.782 1.767 155 HE1 PHE 20 HE1 PHE 20 62.036 1.650 6.711 156 HE2 PHE 20 HE2 PHE 20 63.248 -0.180 3.020 157 HZ PHE 20 HZ PHE 20 63.065 -0.245 5.492 158 H LYS 21 HN LYS 21 59.697 6.393 1.974 159 HA LYS 21 HA LYS 21 61.298 7.784 0.061 160 HB2 LYS 21 HB2 LYS 21 58.774 7.164 0.122 161 HB3 LYS 21 HB1 LYS 21 58.567 8.665 1.030 162 HG2 LYS 21 HG2 LYS 21 60.167 9.436 -1.111 163 HG3 LYS 21 HG1 LYS 21 59.054 8.276 -1.834 164 HD2 LYS 21 HD2 LYS 21 57.176 9.558 -0.638 165 HD3 LYS 21 HD1 LYS 21 58.373 10.816 -0.336 166 HE2 LYS 21 HE2 LYS 21 57.968 9.750 -3.133 167 HE3 LYS 21 HE1 LYS 21 56.917 11.027 -2.490 168 HZ1 LYS 21 HZ1 LYS 21 58.810 12.061 -3.499 169 HZ2 LYS 21 HZ2 LYS 21 59.887 11.066 -2.641 170 HZ3 LYS 21 HZ3 LYS 21 58.965 12.233 -1.820 171 H ALA 22 HN ALA 22 59.818 8.923 3.117 172 HA ALA 22 HA ALA 22 60.515 11.666 2.989 173 HB1 ALA 22 HB1 ALA 22 60.357 11.496 5.475 174 HB2 ALA 22 HB2 ALA 22 60.398 9.737 5.331 175 HB3 ALA 22 HB3 ALA 22 59.040 10.644 4.664 176 H ALA 23 HN ALA 23 62.429 8.889 4.178 177 HA ALA 23 HA ALA 23 64.728 10.504 4.947 178 HB1 ALA 23 HB1 ALA 23 64.342 8.366 5.992 179 HB2 ALA 23 HB2 ALA 23 65.783 8.172 4.997 180 HB3 ALA 23 HB3 ALA 23 64.233 7.555 4.431 181 H PHE 24 HN PHE 24 64.062 8.316 2.183 182 HA PHE 24 HA PHE 24 66.473 8.673 0.741 183 HB2 PHE 24 HB2 PHE 24 64.239 7.210 0.480 184 HB3 PHE 24 HB1 PHE 24 63.866 8.465 -0.703 185 HD1 PHE 24 HD2 PHE 24 66.670 6.204 0.338 186 HD2 PHE 24 HD1 PHE 24 64.708 8.264 -2.877 187 HE1 PHE 24 HE2 PHE 24 68.209 5.132 -1.283 188 HE2 PHE 24 HE1 PHE 24 66.248 7.193 -4.505 189 HZ PHE 24 HZ PHE 24 67.997 5.627 -3.709 190 H ASP 25 HN ASP 25 63.491 10.624 0.678 191 HA ASP 25 HA ASP 25 64.080 12.340 -1.494 192 HB2 ASP 25 HB2 ASP 25 62.389 12.312 0.942 193 HB3 ASP 25 HB1 ASP 25 62.657 13.899 0.229 194 H ILE 26 HN ILE 26 65.326 12.403 1.830 195 HA ILE 26 HA ILE 26 66.253 15.086 1.981 196 HB ILE 26 HB ILE 26 67.259 12.466 3.130 197 HG12 ILE 26 HG12 ILE 26 65.788 14.792 4.407 198 HG13 ILE 26 HG11 ILE 26 64.989 13.358 3.768 199 HG21 ILE 26 HG21 ILE 26 68.177 15.302 3.690 200 HG22 ILE 26 HG22 ILE 26 69.169 13.936 3.181 201 HG23 ILE 26 HG23 ILE 26 68.464 13.959 4.796 202 HD11 ILE 26 HD11 ILE 26 66.441 13.701 6.287 203 HD12 ILE 26 HD12 ILE 26 67.002 12.303 5.370 204 HD13 ILE 26 HD13 ILE 26 65.302 12.441 5.813 205 H PHE 27 HN PHE 27 67.907 12.202 0.621 206 HA PHE 27 HA PHE 27 70.143 13.945 -0.273 207 HB2 PHE 27 HB2 PHE 27 70.403 11.229 -1.197 208 HB3 PHE 27 HB1 PHE 27 71.386 12.082 -0.018 209 HD1 PHE 27 HD1 PHE 27 70.288 12.308 2.396 210 HD2 PHE 27 HD2 PHE 27 69.213 9.333 -0.517 211 HE1 PHE 27 HE1 PHE 27 69.364 10.878 4.191 212 HE2 PHE 27 HE2 PHE 27 68.281 7.912 1.287 213 HZ PHE 27 HZ PHE 27 68.358 8.683 3.638 214 H VAL 28 HN VAL 28 67.285 12.397 -1.584 215 HA VAL 28 HA VAL 28 68.110 12.453 -4.374 216 HB VAL 28 HB VAL 28 65.444 12.322 -2.932 217 HG11 VAL 28 HG11 VAL 28 64.557 11.554 -5.172 218 HG12 VAL 28 HG12 VAL 28 66.069 12.105 -5.892 219 HG13 VAL 28 HG13 VAL 28 64.990 13.263 -5.111 220 HG21 VAL 28 HG21 VAL 28 65.780 10.084 -2.876 221 HG22 VAL 28 HG22 VAL 28 67.460 10.426 -3.286 222 HG23 VAL 28 HG23 VAL 28 66.300 10.046 -4.559 223 H GLN 29 HN GLN 29 66.795 14.831 -2.148 224 HA GLN 29 HA GLN 29 65.634 16.700 -3.953 225 HB2 GLN 29 HB2 GLN 29 65.494 16.690 -1.464 226 HB3 GLN 29 HB1 GLN 29 67.190 17.164 -1.382 227 HG2 GLN 29 HG2 GLN 29 65.970 19.198 -1.172 228 HG3 GLN 29 HG1 GLN 29 66.535 19.175 -2.841 229 HE21 GLN 29 HE21 GLN 29 63.640 18.364 -0.851 230 HE22 GLN 29 HE22 GLN 29 62.526 18.640 -2.102 231 H GLY 30 HN GLY 30 69.041 16.388 -2.847 232 HA2 GLY 30 HA2 GLY 30 69.824 18.500 -4.796 233 HA3 GLY 30 HA1 GLY 30 70.849 17.870 -3.506 234 H ALA 31 HN ALA 31 68.986 16.131 -6.021 235 HA ALA 31 HA ALA 31 71.545 15.159 -7.223 236 HB1 ALA 31 HB1 ALA 31 70.671 12.838 -7.045 237 HB2 ALA 31 HB2 ALA 31 69.241 13.452 -6.213 238 HB3 ALA 31 HB3 ALA 31 70.826 13.578 -5.451 239 H GLU 32 HN GLU 32 71.325 14.643 -9.443 240 HA GLU 32 HA GLU 32 69.048 15.797 -10.856 241 HB2 GLU 32 HB2 GLU 32 71.629 14.401 -11.514 242 HB3 GLU 32 HB1 GLU 32 70.426 14.604 -12.788 243 HG2 GLU 32 HG2 GLU 32 71.487 16.620 -13.062 244 HG3 GLU 32 HG1 GLU 32 70.402 17.103 -11.761 245 H ASP 33 HN ASP 33 70.399 12.469 -10.841 246 HA ASP 33 HA ASP 33 67.918 11.354 -11.955 247 HB2 ASP 33 HB2 ASP 33 70.644 10.384 -11.129 248 HB3 ASP 33 HB1 ASP 33 69.366 9.209 -11.436 249 H GLY 34 HN GLY 34 69.311 11.771 -8.760 250 HA2 GLY 34 HA2 GLY 34 68.203 11.486 -6.679 251 HA3 GLY 34 HA1 GLY 34 66.866 10.706 -7.523 252 H SER 35 HN SER 35 70.282 9.841 -7.777 253 HA SER 35 HA SER 35 69.630 7.139 -6.648 254 HB2 SER 35 HB2 SER 35 70.564 7.856 -9.111 255 HB3 SER 35 HB1 SER 35 72.083 7.606 -8.257 256 HG SER 35 HG SER 35 71.166 5.538 -7.597 257 H ILE 36 HN ILE 36 71.356 6.150 -5.342 258 HA ILE 36 HA ILE 36 72.992 8.196 -3.883 259 HB ILE 36 HB ILE 36 72.366 5.426 -2.882 260 HG12 ILE 36 HG12 ILE 36 70.198 6.499 -3.686 261 HG13 ILE 36 HG11 ILE 36 70.245 6.105 -1.971 262 HG21 ILE 36 HG21 ILE 36 73.314 8.003 -1.804 263 HG22 ILE 36 HG22 ILE 36 73.633 6.360 -1.249 264 HG23 ILE 36 HG23 ILE 36 72.136 7.168 -0.794 265 HD11 ILE 36 HD11 ILE 36 70.728 8.830 -3.196 266 HD12 ILE 36 HD12 ILE 36 70.917 8.448 -1.483 267 HD13 ILE 36 HD13 ILE 36 69.329 8.332 -2.244 268 H SER 37 HN SER 37 75.219 7.740 -3.530 269 HA SER 37 HA SER 37 76.379 5.611 -5.282 270 HB2 SER 37 HB2 SER 37 76.907 8.288 -4.940 271 HB3 SER 37 HB1 SER 37 78.136 7.545 -3.919 272 HG SER 37 HG SER 37 77.792 7.478 -6.670 273 H THR 38 HN THR 38 78.258 4.380 -4.357 274 HA THR 38 HA THR 38 77.672 3.067 -1.913 275 HB THR 38 HB THR 38 80.050 2.257 -2.138 276 HG1 THR 38 HG1 THR 38 81.319 3.132 -3.703 277 HG21 THR 38 HG21 THR 38 77.963 2.182 -4.210 278 HG22 THR 38 HG22 THR 38 78.885 0.858 -3.498 279 HG23 THR 38 HG23 THR 38 79.575 1.804 -4.817 280 H LYS 39 HN LYS 39 79.851 5.829 -2.513 281 HA LYS 39 HA LYS 39 80.938 6.000 0.154 282 HB2 LYS 39 HB2 LYS 39 80.581 7.891 -2.177 283 HB3 LYS 39 HB1 LYS 39 81.378 8.399 -0.689 284 HG2 LYS 39 HG2 LYS 39 83.124 6.796 -0.956 285 HG3 LYS 39 HG1 LYS 39 82.234 5.929 -2.210 286 HD2 LYS 39 HD2 LYS 39 84.031 7.354 -3.173 287 HD3 LYS 39 HD1 LYS 39 82.429 7.853 -3.722 288 HE2 LYS 39 HE2 LYS 39 83.169 9.202 -1.232 289 HE3 LYS 39 HE1 LYS 39 84.333 9.525 -2.533 290 HZ1 LYS 39 HZ1 LYS 39 81.377 9.845 -2.645 291 HZ2 LYS 39 HZ2 LYS 39 82.382 9.914 -4.012 292 HZ3 LYS 39 HZ3 LYS 39 82.547 11.066 -2.777 293 H GLU 40 HN GLU 40 78.027 7.369 -1.352 294 HA GLU 40 HA GLU 40 77.410 9.027 1.016 295 HB2 GLU 40 HB2 GLU 40 76.310 8.571 -1.745 296 HB3 GLU 40 HB1 GLU 40 75.352 9.447 -0.551 297 HG2 GLU 40 HG2 GLU 40 76.546 11.175 -1.593 298 HG3 GLU 40 HG1 GLU 40 77.542 10.830 -0.183 299 H LEU 41 HN LEU 41 76.547 5.879 -0.259 300 HA LEU 41 HA LEU 41 73.961 5.528 0.846 301 HB2 LEU 41 HB2 LEU 41 75.716 4.056 -0.613 302 HB3 LEU 41 HB1 LEU 41 75.847 3.242 0.943 303 HG LEU 41 HG LEU 41 74.085 2.127 -0.223 304 HD11 LEU 41 HD11 LEU 41 73.542 2.652 2.126 305 HD12 LEU 41 HD12 LEU 41 72.089 2.643 1.127 306 HD13 LEU 41 HD13 LEU 41 72.807 4.173 1.616 307 HD21 LEU 41 HD21 LEU 41 72.494 3.147 -1.570 308 HD22 LEU 41 HD22 LEU 41 73.849 4.259 -1.771 309 HD23 LEU 41 HD23 LEU 41 72.538 4.659 -0.658 310 H GLY 42 HN GLY 42 77.174 5.088 2.341 311 HA2 GLY 42 HA2 GLY 42 76.435 3.880 4.770 312 HA3 GLY 42 HA1 GLY 42 77.797 4.987 4.607 313 H LYS 43 HN LYS 43 76.405 7.364 3.938 314 HA LYS 43 HA LYS 43 75.552 8.292 6.529 315 HB2 LYS 43 HB2 LYS 43 75.704 9.299 3.728 316 HB3 LYS 43 HB1 LYS 43 74.601 10.157 4.804 317 HG2 LYS 43 HG2 LYS 43 76.343 11.217 5.759 318 HG3 LYS 43 HG1 LYS 43 77.029 9.664 6.237 319 HD2 LYS 43 HD2 LYS 43 77.345 10.651 3.411 320 HD3 LYS 43 HD1 LYS 43 78.430 11.226 4.678 321 HE2 LYS 43 HE2 LYS 43 78.401 8.498 5.134 322 HE3 LYS 43 HE1 LYS 43 78.338 8.594 3.365 323 HZ1 LYS 43 HZ1 LYS 43 80.352 9.699 5.210 324 HZ2 LYS 43 HZ2 LYS 43 80.103 10.437 3.701 325 HZ3 LYS 43 HZ3 LYS 43 80.585 8.812 3.783 326 H VAL 44 HN VAL 44 73.779 7.297 3.609 327 HA VAL 44 HA VAL 44 71.121 7.923 4.439 328 HB VAL 44 HB VAL 44 72.310 5.786 2.634 329 HG11 VAL 44 HG11 VAL 44 69.981 5.818 1.588 330 HG12 VAL 44 HG12 VAL 44 69.434 6.638 3.051 331 HG13 VAL 44 HG13 VAL 44 70.106 5.009 3.152 332 HG21 VAL 44 HG21 VAL 44 71.470 7.401 0.871 333 HG22 VAL 44 HG22 VAL 44 72.805 8.004 1.853 334 HG23 VAL 44 HG23 VAL 44 71.157 8.548 2.172 335 H MET 45 HN MET 45 73.055 4.934 4.856 336 HA MET 45 HA MET 45 70.954 3.493 6.254 337 HB2 MET 45 HB2 MET 45 73.960 3.026 6.265 338 HB3 MET 45 HB1 MET 45 72.701 1.832 6.578 339 HG2 MET 45 HG2 MET 45 72.035 2.960 4.097 340 HG3 MET 45 HG1 MET 45 73.777 2.690 4.037 341 HE1 MET 45 HE1 MET 45 70.305 0.099 3.720 342 HE2 MET 45 HE2 MET 45 70.438 1.731 4.377 343 HE3 MET 45 HE3 MET 45 70.511 0.339 5.460 344 H ARG 46 HN ARG 46 73.846 5.320 7.357 345 HA ARG 46 HA ARG 46 73.662 4.775 10.148 346 HB2 ARG 46 HB2 ARG 46 75.186 6.340 8.405 347 HB3 ARG 46 HB1 ARG 46 74.438 7.522 9.475 348 HG2 ARG 46 HG2 ARG 46 75.212 5.587 11.264 349 HG3 ARG 46 HG1 ARG 46 76.495 5.487 10.058 350 HD2 ARG 46 HD2 ARG 46 77.247 7.140 11.623 351 HD3 ARG 46 HD1 ARG 46 76.626 8.072 10.248 352 HE ARG 46 HE ARG 46 74.866 8.822 11.632 353 HH11 ARG 46 HH21 ARG 46 76.625 8.195 14.024 354 HH12 ARG 46 HH22 ARG 46 75.546 7.244 14.986 355 HH21 ARG 46 HH11 ARG 46 73.358 6.607 12.374 356 HH22 ARG 46 HH12 ARG 46 73.717 6.310 14.043 357 H MET 47 HN MET 47 71.891 7.093 8.132 358 HA MET 47 HA MET 47 70.675 8.550 10.336 359 HB2 MET 47 HB2 MET 47 71.059 9.385 8.008 360 HB3 MET 47 HB1 MET 47 69.844 8.244 7.433 361 HG2 MET 47 HG2 MET 47 68.152 9.322 8.887 362 HG3 MET 47 HG1 MET 47 69.368 10.480 9.431 363 HE1 MET 47 HE1 MET 47 66.562 10.006 6.626 364 HE2 MET 47 HE2 MET 47 67.780 8.733 6.656 365 HE3 MET 47 HE3 MET 47 67.686 9.824 5.272 366 H LEU 48 HN LEU 48 69.801 5.669 8.470 367 HA LEU 48 HA LEU 48 67.083 5.569 9.672 368 HB2 LEU 48 HB2 LEU 48 68.523 4.549 7.332 369 HB3 LEU 48 HB1 LEU 48 67.513 3.316 8.088 370 HG LEU 48 HG LEU 48 66.267 5.991 7.812 371 HD11 LEU 48 HD11 LEU 48 66.885 4.229 5.424 372 HD12 LEU 48 HD12 LEU 48 67.398 5.899 5.663 373 HD13 LEU 48 HD13 LEU 48 65.694 5.530 5.417 374 HD21 LEU 48 HD21 LEU 48 64.318 4.657 7.373 375 HD22 LEU 48 HD22 LEU 48 65.198 3.862 8.679 376 HD23 LEU 48 HD23 LEU 48 65.302 3.230 7.037 377 H GLY 49 HN GLY 49 69.824 4.965 11.113 378 HA2 GLY 49 HA2 GLY 49 70.421 3.572 12.902 379 HA3 GLY 49 HA1 GLY 49 68.821 2.846 12.799 380 H GLN 50 HN GLN 50 71.422 2.974 10.351 381 HA GLN 50 HA GLN 50 71.403 -0.041 10.306 382 HB2 GLN 50 HB2 GLN 50 72.197 1.852 8.081 383 HB3 GLN 50 HB1 GLN 50 71.854 0.133 7.943 384 HG2 GLN 50 HG2 GLN 50 69.755 2.119 8.839 385 HG3 GLN 50 HG1 GLN 50 70.029 1.744 7.135 386 HE21 GLN 50 HE21 GLN 50 68.584 0.591 10.086 387 HE22 GLN 50 HE22 GLN 50 68.032 -0.892 9.477 388 H ASN 51 HN ASN 51 73.449 2.794 9.565 389 HA ASN 51 HA ASN 51 75.812 2.977 9.434 390 HB2 ASN 51 HB2 ASN 51 76.676 2.717 11.836 391 HB3 ASN 51 HB1 ASN 51 75.311 3.801 11.595 392 HD21 ASN 51 HD21 ASN 51 76.207 0.564 12.815 393 HD22 ASN 51 HD22 ASN 51 74.787 0.348 13.724 394 HA PRO 52 HA PRO 52 76.829 -1.576 9.249 395 HB2 PRO 52 HB2 PRO 52 76.776 -1.932 6.542 396 HB3 PRO 52 HB1 PRO 52 75.347 -2.155 7.570 397 HG2 PRO 52 HG2 PRO 52 76.049 0.085 5.773 398 HG3 PRO 52 HG1 PRO 52 74.462 -0.555 6.213 399 HD2 PRO 52 HD2 PRO 52 75.637 1.752 7.243 400 HD3 PRO 52 HD1 PRO 52 74.256 0.882 7.940 401 H THR 53 HN THR 53 78.884 -2.451 8.316 402 HA THR 53 HA THR 53 81.000 -0.467 8.202 403 HB THR 53 HB THR 53 82.220 -2.740 7.491 404 HG1 THR 53 HG1 THR 53 81.033 -4.485 7.794 405 HG21 THR 53 HG21 THR 53 82.639 -1.715 9.604 406 HG22 THR 53 HG22 THR 53 82.152 -3.372 9.957 407 HG23 THR 53 HG23 THR 53 81.003 -2.050 10.167 408 HA PRO 54 HA PRO 54 81.300 0.306 3.890 409 HB2 PRO 54 HB2 PRO 54 84.013 0.260 3.465 410 HB3 PRO 54 HB1 PRO 54 83.174 1.584 4.299 411 HG2 PRO 54 HG2 PRO 54 84.683 -0.718 5.452 412 HG3 PRO 54 HG1 PRO 54 84.671 0.984 5.945 413 HD2 PRO 54 HD2 PRO 54 83.271 -0.916 7.265 414 HD3 PRO 54 HD1 PRO 54 82.710 0.767 7.136 415 H GLU 55 HN GLU 55 83.362 -2.447 4.921 416 HA GLU 55 HA GLU 55 83.583 -3.686 2.351 417 HB2 GLU 55 HB2 GLU 55 83.911 -5.788 3.855 418 HB3 GLU 55 HB1 GLU 55 85.050 -4.458 4.034 419 HG2 GLU 55 HG2 GLU 55 82.772 -4.056 5.786 420 HG3 GLU 55 HG1 GLU 55 83.482 -5.644 6.061 421 H GLU 56 HN GLU 56 81.284 -4.484 5.015 422 HA GLU 56 HA GLU 56 79.683 -6.308 3.526 423 HB2 GLU 56 HB2 GLU 56 79.492 -4.633 6.004 424 HB3 GLU 56 HB1 GLU 56 78.033 -5.441 5.425 425 HG2 GLU 56 HG2 GLU 56 79.058 -6.984 6.924 426 HG3 GLU 56 HG1 GLU 56 79.417 -7.575 5.307 427 H LEU 57 HN LEU 57 79.451 -2.756 3.951 428 HA LEU 57 HA LEU 57 76.888 -2.293 2.857 429 HB2 LEU 57 HB2 LEU 57 78.439 -0.629 3.922 430 HB3 LEU 57 HB1 LEU 57 79.400 -0.639 2.445 431 HG LEU 57 HG LEU 57 77.288 -0.001 1.192 432 HD11 LEU 57 HD11 LEU 57 75.833 -0.766 3.180 433 HD12 LEU 57 HD12 LEU 57 75.377 0.731 2.365 434 HD13 LEU 57 HD13 LEU 57 76.237 0.794 3.905 435 HD21 LEU 57 HD21 LEU 57 78.618 1.756 3.238 436 HD22 LEU 57 HD22 LEU 57 77.298 2.395 2.261 437 HD23 LEU 57 HD23 LEU 57 78.759 1.793 1.482 438 H GLN 58 HN GLN 58 79.941 -2.961 1.166 439 HA GLN 58 HA GLN 58 79.315 -2.241 -1.482 440 HB2 GLN 58 HB2 GLN 58 81.456 -3.180 -0.442 441 HB3 GLN 58 HB1 GLN 58 80.734 -4.778 -0.624 442 HG2 GLN 58 HG2 GLN 58 80.702 -3.002 -3.017 443 HG3 GLN 58 HG1 GLN 58 82.263 -3.665 -2.543 444 HE21 GLN 58 HE21 GLN 58 80.908 -4.441 -4.983 445 HE22 GLN 58 HE22 GLN 58 80.490 -6.079 -4.848 446 H GLU 59 HN GLU 59 78.480 -5.262 0.250 447 HA GLU 59 HA GLU 59 77.216 -6.588 -1.968 448 HB2 GLU 59 HB2 GLU 59 77.944 -7.796 -0.014 449 HB3 GLU 59 HB1 GLU 59 76.973 -6.782 1.050 450 HG2 GLU 59 HG2 GLU 59 75.196 -7.875 -0.884 451 HG3 GLU 59 HG1 GLU 59 76.205 -9.202 -0.304 452 H MET 60 HN MET 60 75.891 -4.504 0.634 453 HA MET 60 HA MET 60 73.144 -4.772 -0.051 454 HB2 MET 60 HB2 MET 60 74.870 -3.124 1.602 455 HB3 MET 60 HB1 MET 60 73.571 -2.159 0.901 456 HG2 MET 60 HG2 MET 60 71.936 -3.265 2.058 457 HG3 MET 60 HG1 MET 60 72.773 -4.815 1.964 458 HE1 MET 60 HE1 MET 60 75.891 -3.694 3.573 459 HE2 MET 60 HE2 MET 60 75.047 -4.956 2.675 460 HE3 MET 60 HE3 MET 60 75.226 -5.101 4.424 461 H ILE 61 HN ILE 61 75.666 -2.723 -1.466 462 HA ILE 61 HA ILE 61 73.660 -1.317 -3.145 463 HB ILE 61 HB ILE 61 76.540 -0.972 -2.362 464 HG12 ILE 61 HG12 ILE 61 74.754 1.344 -2.607 465 HG13 ILE 61 HG11 ILE 61 74.124 0.098 -1.531 466 HG21 ILE 61 HG21 ILE 61 76.463 1.023 -4.050 467 HG22 ILE 61 HG22 ILE 61 75.218 0.072 -4.860 468 HG23 ILE 61 HG23 ILE 61 76.841 -0.589 -4.659 469 HD11 ILE 61 HD11 ILE 61 75.919 2.009 -0.763 470 HD12 ILE 61 HD12 ILE 61 77.000 0.681 -1.190 471 HD13 ILE 61 HD13 ILE 61 75.742 0.440 0.024 472 H ASP 62 HN ASP 62 76.790 -2.993 -3.731 473 HA ASP 62 HA ASP 62 76.413 -3.190 -6.572 474 HB2 ASP 62 HB2 ASP 62 78.180 -4.664 -4.601 475 HB3 ASP 62 HB1 ASP 62 78.354 -4.783 -6.352 476 H GLU 63 HN GLU 63 75.710 -5.549 -3.948 477 HA GLU 63 HA GLU 63 75.078 -7.689 -5.829 478 HB2 GLU 63 HB2 GLU 63 75.674 -7.513 -3.172 479 HB3 GLU 63 HB1 GLU 63 73.929 -7.738 -3.102 480 HG2 GLU 63 HG2 GLU 63 74.714 -9.586 -5.015 481 HG3 GLU 63 HG1 GLU 63 76.028 -9.649 -3.842 482 H VAL 64 HN VAL 64 73.202 -5.129 -4.253 483 HA VAL 64 HA VAL 64 70.618 -6.269 -5.084 484 HB VAL 64 HB VAL 64 71.553 -3.676 -3.822 485 HG11 VAL 64 HG11 VAL 64 69.549 -2.719 -4.202 486 HG12 VAL 64 HG12 VAL 64 68.717 -4.126 -3.548 487 HG13 VAL 64 HG13 VAL 64 69.135 -4.067 -5.259 488 HG21 VAL 64 HG21 VAL 64 69.699 -5.110 -2.234 489 HG22 VAL 64 HG22 VAL 64 71.434 -4.945 -1.961 490 HG23 VAL 64 HG23 VAL 64 70.815 -6.311 -2.889 491 H ASP 65 HN ASP 65 72.992 -4.007 -6.365 492 HA ASP 65 HA ASP 65 71.313 -2.676 -8.295 493 HB2 ASP 65 HB2 ASP 65 73.709 -2.176 -7.342 494 HB3 ASP 65 HB1 ASP 65 74.259 -3.238 -8.635 495 H GLU 66 HN GLU 66 70.138 -4.060 -9.655 496 HA GLU 66 HA GLU 66 71.382 -6.466 -10.816 497 HB2 GLU 66 HB2 GLU 66 68.696 -5.107 -10.867 498 HB3 GLU 66 HB1 GLU 66 69.043 -6.405 -12.007 499 HG2 GLU 66 HG2 GLU 66 69.815 -6.971 -9.204 500 HG3 GLU 66 HG1 GLU 66 68.078 -6.815 -9.483 501 H ASP 67 HN ASP 67 70.385 -3.230 -11.952 502 HA ASP 67 HA ASP 67 70.931 -3.713 -14.747 503 HB2 ASP 67 HB2 ASP 67 70.895 -1.183 -14.810 504 HB3 ASP 67 HB1 ASP 67 69.486 -1.913 -14.046 505 H GLY 68 HN GLY 68 73.014 -3.000 -12.032 506 HA2 GLY 68 HA2 GLY 68 75.364 -3.059 -11.947 507 HA3 GLY 68 HA1 GLY 68 75.382 -3.370 -13.680 508 H SER 69 HN SER 69 74.145 -0.591 -11.762 509 HA SER 69 HA SER 69 75.605 1.221 -13.637 510 HB2 SER 69 HB2 SER 69 74.086 2.923 -12.772 511 HB3 SER 69 HB1 SER 69 73.158 1.494 -13.205 512 HG SER 69 HG SER 69 73.401 2.715 -10.823 513 H GLY 70 HN GLY 70 75.593 0.152 -10.293 514 HA2 GLY 70 HA2 GLY 70 77.581 0.402 -8.909 515 HA3 GLY 70 HA1 GLY 70 77.978 1.872 -9.794 516 H THR 71 HN THR 71 75.061 2.748 -9.596 517 HA THR 71 HA THR 71 75.217 3.779 -6.787 518 HB THR 71 HB THR 71 73.767 5.594 -7.727 519 HG1 THR 71 HG1 THR 71 72.787 5.066 -9.496 520 HG21 THR 71 HG21 THR 71 75.842 5.779 -9.708 521 HG22 THR 71 HG22 THR 71 76.510 5.104 -8.225 522 HG23 THR 71 HG23 THR 71 75.686 6.662 -8.190 523 H VAL 72 HN VAL 72 73.334 3.756 -5.484 524 HA VAL 72 HA VAL 72 71.344 1.670 -6.184 525 HB VAL 72 HB VAL 72 72.246 3.159 -3.728 526 HG11 VAL 72 HG11 VAL 72 70.040 3.172 -3.088 527 HG12 VAL 72 HG12 VAL 72 70.387 1.485 -2.706 528 HG13 VAL 72 HG13 VAL 72 69.596 1.899 -4.228 529 HG21 VAL 72 HG21 VAL 72 72.752 0.940 -2.941 530 HG22 VAL 72 HG22 VAL 72 73.354 1.039 -4.598 531 HG23 VAL 72 HG23 VAL 72 71.837 0.203 -4.256 532 H ASP 73 HN ASP 73 69.152 2.104 -6.451 533 HA ASP 73 HA ASP 73 68.340 4.992 -6.489 534 HB2 ASP 73 HB2 ASP 73 66.685 4.110 -8.256 535 HB3 ASP 73 HB1 ASP 73 68.381 4.148 -8.721 536 H PHE 74 HN PHE 74 65.652 4.840 -6.588 537 HA PHE 74 HA PHE 74 64.802 4.290 -3.939 538 HB2 PHE 74 HB2 PHE 74 63.778 5.613 -6.021 539 HB3 PHE 74 HB1 PHE 74 62.872 4.115 -6.227 540 HD1 PHE 74 HD2 PHE 74 61.274 3.357 -4.521 541 HD2 PHE 74 HD1 PHE 74 63.464 7.022 -4.049 542 HE1 PHE 74 HE2 PHE 74 59.745 4.042 -2.687 543 HE2 PHE 74 HE1 PHE 74 61.940 7.705 -2.221 544 HZ PHE 74 HZ PHE 74 60.069 6.209 -1.542 545 H ASP 75 HN ASP 75 64.376 2.289 -6.884 546 HA ASP 75 HA ASP 75 62.943 0.144 -5.641 547 HB2 ASP 75 HB2 ASP 75 63.213 0.667 -8.098 548 HB3 ASP 75 HB1 ASP 75 64.863 0.056 -7.992 549 H GLU 76 HN GLU 76 66.456 0.498 -6.341 550 HA GLU 76 HA GLU 76 67.264 -1.999 -5.189 551 HB2 GLU 76 HB2 GLU 76 68.430 0.447 -6.254 552 HB3 GLU 76 HB1 GLU 76 69.377 -0.183 -4.905 553 HG2 GLU 76 HG2 GLU 76 69.911 -2.141 -6.012 554 HG3 GLU 76 HG1 GLU 76 68.421 -2.137 -6.953 555 H PHE 77 HN PHE 77 67.121 1.295 -3.751 556 HA PHE 77 HA PHE 77 68.216 0.696 -1.200 557 HB2 PHE 77 HB2 PHE 77 67.754 2.959 -1.998 558 HB3 PHE 77 HB1 PHE 77 66.025 2.618 -2.060 559 HD1 PHE 77 HD2 PHE 77 68.944 2.842 0.275 560 HD2 PHE 77 HD1 PHE 77 64.668 2.890 -0.146 561 HE1 PHE 77 HE2 PHE 77 68.715 3.528 2.643 562 HE2 PHE 77 HE1 PHE 77 64.443 3.572 2.222 563 HZ PHE 77 HZ PHE 77 66.468 3.890 3.616 564 H LEU 78 HN LEU 78 64.883 0.269 -2.418 565 HA LEU 78 HA LEU 78 63.659 -0.487 0.074 566 HB2 LEU 78 HB2 LEU 78 63.111 -0.699 -2.849 567 HB3 LEU 78 HB1 LEU 78 62.209 -1.794 -1.804 568 HG LEU 78 HG LEU 78 62.381 1.133 -1.122 569 HD11 LEU 78 HD11 LEU 78 60.141 1.298 -2.355 570 HD12 LEU 78 HD12 LEU 78 60.591 -0.202 -3.160 571 HD13 LEU 78 HD13 LEU 78 61.582 1.240 -3.369 572 HD21 LEU 78 HD21 LEU 78 60.103 0.570 -0.181 573 HD22 LEU 78 HD22 LEU 78 61.427 -0.321 0.570 574 HD23 LEU 78 HD23 LEU 78 60.400 -1.109 -0.626 575 H VAL 79 HN VAL 79 65.357 -2.378 -2.436 576 HA VAL 79 HA VAL 79 64.800 -4.966 -1.172 577 HB VAL 79 HB VAL 79 66.717 -4.084 -3.359 578 HG11 VAL 79 HG11 VAL 79 66.768 -6.464 -3.981 579 HG12 VAL 79 HG12 VAL 79 65.716 -6.850 -2.621 580 HG13 VAL 79 HG13 VAL 79 67.348 -6.248 -2.329 581 HG21 VAL 79 HG21 VAL 79 64.670 -3.699 -4.348 582 HG22 VAL 79 HG22 VAL 79 63.824 -4.814 -3.277 583 HG23 VAL 79 HG23 VAL 79 64.762 -5.436 -4.633 584 H MET 80 HN MET 80 67.487 -2.646 -1.216 585 HA MET 80 HA MET 80 69.362 -4.397 0.161 586 HB2 MET 80 HB2 MET 80 70.816 -2.609 -0.146 587 HB3 MET 80 HB1 MET 80 69.627 -2.260 -1.395 588 HG2 MET 80 HG2 MET 80 68.476 -0.692 0.092 589 HG3 MET 80 HG1 MET 80 69.578 -1.093 1.406 590 HE1 MET 80 HE1 MET 80 71.728 -0.830 1.584 591 HE2 MET 80 HE2 MET 80 71.517 0.893 1.872 592 HE3 MET 80 HE3 MET 80 72.793 0.341 0.791 593 H MET 81 HN MET 81 66.691 -2.464 1.188 594 HA MET 81 HA MET 81 67.661 -1.888 3.889 595 HB2 MET 81 HB2 MET 81 65.222 -1.514 2.229 596 HB3 MET 81 HB1 MET 81 64.969 -1.556 3.973 597 HG2 MET 81 HG2 MET 81 67.242 0.100 2.991 598 HG3 MET 81 HG1 MET 81 65.617 0.707 2.668 599 HE1 MET 81 HE1 MET 81 68.323 1.116 4.386 600 HE2 MET 81 HE2 MET 81 68.043 1.454 6.093 601 HE3 MET 81 HE3 MET 81 67.444 2.573 4.870 602 H VAL 82 HN VAL 82 65.191 -4.120 2.541 603 HA VAL 82 HA VAL 82 64.561 -5.431 4.999 604 HB VAL 82 HB VAL 82 63.622 -7.179 3.502 605 HG11 VAL 82 HG11 VAL 82 62.964 -4.443 3.573 606 HG12 VAL 82 HG12 VAL 82 61.917 -5.773 3.080 607 HG13 VAL 82 HG13 VAL 82 62.864 -4.904 1.873 608 HG21 VAL 82 HG21 VAL 82 65.128 -5.642 1.360 609 HG22 VAL 82 HG22 VAL 82 63.917 -6.880 1.039 610 HG23 VAL 82 HG23 VAL 82 65.420 -7.311 1.856 611 H ARG 83 HN ARG 83 67.180 -6.055 2.665 612 HA ARG 83 HA ARG 83 67.970 -8.577 3.897 613 HB2 ARG 83 HB2 ARG 83 69.676 -8.555 2.253 614 HB3 ARG 83 HB1 ARG 83 68.332 -7.707 1.494 615 HG2 ARG 83 HG2 ARG 83 69.369 -5.537 2.220 616 HG3 ARG 83 HG1 ARG 83 70.765 -6.445 2.798 617 HD2 ARG 83 HD2 ARG 83 69.755 -6.665 -0.053 618 HD3 ARG 83 HD1 ARG 83 71.001 -5.501 0.440 619 HE ARG 83 HE ARG 83 72.141 -7.653 1.447 620 HH11 ARG 83 HH11 ARG 83 72.964 -7.082 -1.279 621 HH12 ARG 83 HH12 ARG 83 72.564 -8.531 -2.138 622 HH21 ARG 83 HH21 ARG 83 70.346 -9.648 0.281 623 HH22 ARG 83 HH22 ARG 83 71.079 -9.993 -1.248 624 H SER 84 HN SER 84 68.974 -5.173 4.254 625 HA SER 84 HA SER 84 71.257 -5.763 5.966 626 HB2 SER 84 HB2 SER 84 71.368 -3.712 4.853 627 HB3 SER 84 HB1 SER 84 69.662 -3.365 5.110 628 HG SER 84 HG SER 84 70.239 -2.325 6.840 629 H MET 85 HN MET 85 67.824 -5.587 6.524 630 HA MET 85 HA MET 85 67.574 -4.675 9.174 631 HB2 MET 85 HB2 MET 85 66.232 -6.809 7.515 632 HB3 MET 85 HB1 MET 85 65.730 -6.548 9.185 633 HG2 MET 85 HG2 MET 85 65.320 -4.159 8.687 634 HG3 MET 85 HG1 MET 85 65.800 -4.432 7.014 635 HE1 MET 85 HE1 MET 85 63.692 -3.026 7.448 636 HE2 MET 85 HE2 MET 85 62.056 -3.655 7.615 637 HE3 MET 85 HE3 MET 85 62.845 -3.701 6.040 638 H LYS 86 HN LYS 86 68.380 -7.971 8.056 639 HA LYS 86 HA LYS 86 69.461 -9.762 9.122 640 HB2 LYS 86 HB2 LYS 86 71.036 -7.732 9.426 641 HB3 LYS 86 HB1 LYS 86 70.455 -7.696 11.089 642 HG2 LYS 86 HG2 LYS 86 71.042 -10.385 10.680 643 HG3 LYS 86 HG1 LYS 86 72.333 -9.551 9.818 644 HD2 LYS 86 HD2 LYS 86 73.308 -9.448 11.872 645 HD3 LYS 86 HD1 LYS 86 72.227 -8.075 12.105 646 HE2 LYS 86 HE2 LYS 86 70.995 -10.711 12.676 647 HE3 LYS 86 HE1 LYS 86 72.301 -10.240 13.781 648 HZ1 LYS 86 HZ1 LYS 86 70.451 -9.188 14.678 649 HZ2 LYS 86 HZ2 LYS 86 69.797 -8.797 13.159 650 HZ3 LYS 86 HZ3 LYS 86 71.153 -7.957 13.755 651 H ASP 87 HN ASP 87 67.489 -10.727 9.887 652 HA ASP 87 HA ASP 87 66.224 -9.978 12.388 653 HB2 ASP 87 HB2 ASP 87 65.357 -11.272 10.298 654 HB3 ASP 87 HB1 ASP 87 66.112 -12.681 11.043 655 H ASP 88 HN ASP 88 66.209 -11.393 14.332 656 HA ASP 88 HA ASP 88 68.880 -12.196 15.155 657 HB2 ASP 88 HB2 ASP 88 66.758 -11.259 16.448 658 HB3 ASP 88 HB1 ASP 88 66.363 -12.973 16.602 659 H SER 89 HN SER 89 69.769 -14.091 14.429 660 HA SER 89 HA SER 89 67.981 -16.490 14.163 661 HB2 SER 89 HB2 SER 89 70.156 -15.310 12.463 662 HB3 SER 89 HB1 SER 89 69.902 -17.051 12.424 663 HG SER 89 HG SER 89 68.087 -14.966 11.792 Start of MODEL 19 1 H1 MET 1 HT1 MET 1 65.539 -13.166 -10.029 2 H2 MET 1 HT2 MET 1 67.041 -13.709 -9.462 3 H3 MET 1 HT3 MET 1 66.653 -12.057 -9.389 4 HA MET 1 HA MET 1 65.175 -14.165 -7.891 5 HB2 MET 1 HB2 MET 1 67.553 -12.410 -7.250 6 HB3 MET 1 HB1 MET 1 66.528 -13.059 -5.974 7 HG2 MET 1 HG2 MET 1 67.757 -14.947 -6.063 8 HG3 MET 1 HG1 MET 1 67.055 -15.249 -7.653 9 HE1 MET 1 HE1 MET 1 70.483 -16.164 -8.662 10 HE2 MET 1 HE2 MET 1 68.924 -16.001 -9.464 11 HE3 MET 1 HE3 MET 1 68.998 -16.667 -7.836 12 H ASP 2 HN ASP 2 63.115 -13.205 -7.945 13 HA ASP 2 HA ASP 2 62.945 -10.388 -6.925 14 HB2 ASP 2 HB2 ASP 2 62.464 -11.272 -9.536 15 HB3 ASP 2 HB1 ASP 2 60.857 -11.104 -8.829 16 H ASP 3 HN ASP 3 61.096 -13.402 -7.536 17 HA ASP 3 HA ASP 3 58.745 -12.921 -6.118 18 HB2 ASP 3 HB2 ASP 3 60.036 -15.061 -7.304 19 HB3 ASP 3 HB1 ASP 3 59.914 -15.568 -5.620 20 H ILE 4 HN ILE 4 61.808 -14.147 -4.681 21 HA ILE 4 HA ILE 4 60.887 -14.416 -2.016 22 HB ILE 4 HB ILE 4 63.032 -15.265 -2.977 23 HG12 ILE 4 HG12 ILE 4 64.154 -13.642 -0.840 24 HG13 ILE 4 HG11 ILE 4 62.555 -14.245 -0.415 25 HG21 ILE 4 HG21 ILE 4 64.839 -13.850 -3.497 26 HG22 ILE 4 HG22 ILE 4 64.158 -12.491 -2.600 27 HG23 ILE 4 HG23 ILE 4 63.457 -12.972 -4.144 28 HD11 ILE 4 HD11 ILE 4 63.321 -16.543 -1.133 29 HD12 ILE 4 HD12 ILE 4 64.164 -15.906 0.280 30 HD13 ILE 4 HD13 ILE 4 64.948 -15.882 -1.298 31 H TYR 5 HN TYR 5 62.120 -11.543 -3.742 32 HA TYR 5 HA TYR 5 61.988 -9.833 -1.356 33 HB2 TYR 5 HB2 TYR 5 62.525 -9.462 -4.305 34 HB3 TYR 5 HB1 TYR 5 62.334 -8.069 -3.244 35 HD1 TYR 5 HD1 TYR 5 63.792 -7.979 -1.114 36 HD2 TYR 5 HD2 TYR 5 64.593 -10.597 -4.424 37 HE1 TYR 5 HE1 TYR 5 66.135 -8.234 -0.347 38 HE2 TYR 5 HE2 TYR 5 66.940 -10.851 -3.653 39 HH TYR 5 HH TYR 5 68.032 -10.456 -0.933 40 H LYS 6 HN LYS 6 59.984 -10.529 -4.200 41 HA LYS 6 HA LYS 6 58.052 -8.452 -3.988 42 HB2 LYS 6 HB2 LYS 6 58.286 -10.045 -5.855 43 HB3 LYS 6 HB1 LYS 6 57.799 -11.366 -4.795 44 HG2 LYS 6 HG2 LYS 6 55.616 -10.126 -4.421 45 HG3 LYS 6 HG1 LYS 6 56.107 -9.027 -5.705 46 HD2 LYS 6 HD2 LYS 6 55.145 -10.503 -7.129 47 HD3 LYS 6 HD1 LYS 6 56.559 -11.513 -6.828 48 HE2 LYS 6 HE2 LYS 6 54.052 -11.617 -5.117 49 HE3 LYS 6 HE1 LYS 6 54.356 -12.712 -6.476 50 HZ1 LYS 6 HZ1 LYS 6 55.222 -13.783 -4.570 51 HZ2 LYS 6 HZ2 LYS 6 55.986 -12.375 -4.014 52 HZ3 LYS 6 HZ3 LYS 6 56.573 -13.175 -5.398 53 H ALA 7 HN ALA 7 58.268 -11.604 -2.324 54 HA ALA 7 HA ALA 7 55.745 -11.541 -0.969 55 HB1 ALA 7 HB1 ALA 7 56.669 -13.344 0.252 56 HB2 ALA 7 HB2 ALA 7 58.299 -12.674 0.178 57 HB3 ALA 7 HB3 ALA 7 57.570 -13.385 -1.262 58 H ALA 8 HN ALA 8 58.945 -10.239 -0.091 59 HA ALA 8 HA ALA 8 58.266 -9.317 2.548 60 HB1 ALA 8 HB1 ALA 8 60.564 -9.524 1.744 61 HB2 ALA 8 HB2 ALA 8 60.262 -7.831 2.133 62 HB3 ALA 8 HB3 ALA 8 60.254 -8.365 0.453 63 H VAL 9 HN VAL 9 58.312 -7.624 -0.613 64 HA VAL 9 HA VAL 9 57.270 -5.125 0.304 65 HB VAL 9 HB VAL 9 57.229 -6.601 -2.346 66 HG11 VAL 9 HG11 VAL 9 56.505 -4.557 -3.421 67 HG12 VAL 9 HG12 VAL 9 56.532 -3.685 -1.889 68 HG13 VAL 9 HG13 VAL 9 55.329 -4.945 -2.163 69 HG21 VAL 9 HG21 VAL 9 58.808 -4.218 -1.329 70 HG22 VAL 9 HG22 VAL 9 59.013 -5.002 -2.895 71 HG23 VAL 9 HG23 VAL 9 59.415 -5.872 -1.414 72 H GLU 10 HN GLU 10 55.631 -8.100 -0.779 73 HA GLU 10 HA GLU 10 52.954 -7.059 -0.863 74 HB2 GLU 10 HB2 GLU 10 54.249 -9.756 -0.519 75 HB3 GLU 10 HB1 GLU 10 52.496 -9.602 -0.419 76 HG2 GLU 10 HG2 GLU 10 52.409 -8.625 -2.649 77 HG3 GLU 10 HG1 GLU 10 54.169 -8.612 -2.746 78 H GLN 11 HN GLN 11 54.858 -8.546 1.768 79 HA GLN 11 HA GLN 11 52.640 -8.229 3.701 80 HB2 GLN 11 HB2 GLN 11 55.447 -9.353 3.747 81 HB3 GLN 11 HB1 GLN 11 54.473 -9.229 5.212 82 HG2 GLN 11 HG2 GLN 11 52.808 -10.706 4.351 83 HG3 GLN 11 HG1 GLN 11 53.472 -10.618 2.717 84 HE21 GLN 11 HE21 GLN 11 56.045 -11.249 2.799 85 HE22 GLN 11 HE22 GLN 11 56.363 -12.683 3.646 86 H LEU 12 HN LEU 12 55.119 -6.217 2.517 87 HA LEU 12 HA LEU 12 55.948 -4.889 4.962 88 HB2 LEU 12 HB2 LEU 12 56.196 -4.564 2.019 89 HB3 LEU 12 HB1 LEU 12 56.352 -3.079 2.959 90 HG LEU 12 HG LEU 12 57.902 -5.603 3.584 91 HD11 LEU 12 HD11 LEU 12 58.285 -3.612 1.486 92 HD12 LEU 12 HD12 LEU 12 59.099 -5.155 1.729 93 HD13 LEU 12 HD13 LEU 12 59.670 -3.712 2.572 94 HD21 LEU 12 HD21 LEU 12 58.953 -2.938 4.295 95 HD22 LEU 12 HD22 LEU 12 58.842 -4.395 5.280 96 HD23 LEU 12 HD23 LEU 12 57.440 -3.343 5.107 97 H THR 13 HN THR 13 54.874 -3.309 6.087 98 HA THR 13 HA THR 13 52.162 -2.537 5.396 99 HB THR 13 HB THR 13 52.576 -0.976 7.391 100 HG1 THR 13 HG1 THR 13 54.638 -0.648 7.648 101 HG21 THR 13 HG21 THR 13 53.135 -3.949 7.605 102 HG22 THR 13 HG22 THR 13 51.575 -3.145 7.758 103 HG23 THR 13 HG23 THR 13 52.807 -2.910 8.996 104 H GLU 14 HN GLU 14 51.433 -0.426 4.811 105 HA GLU 14 HA GLU 14 52.812 0.941 2.757 106 HB2 GLU 14 HB2 GLU 14 50.582 1.624 4.671 107 HB3 GLU 14 HB1 GLU 14 51.078 2.762 3.416 108 HG2 GLU 14 HG2 GLU 14 50.130 -0.090 2.979 109 HG3 GLU 14 HG1 GLU 14 49.225 1.375 2.597 110 H GLU 15 HN GLU 15 52.925 1.448 6.254 111 HA GLU 15 HA GLU 15 54.094 4.035 6.366 112 HB2 GLU 15 HB2 GLU 15 53.179 2.751 8.266 113 HB3 GLU 15 HB1 GLU 15 54.493 1.584 8.113 114 HG2 GLU 15 HG2 GLU 15 55.649 4.199 8.237 115 HG3 GLU 15 HG1 GLU 15 54.492 4.047 9.563 116 H GLN 16 HN GLN 16 55.629 0.837 6.035 117 HA GLN 16 HA GLN 16 58.364 1.681 6.149 118 HB2 GLN 16 HB2 GLN 16 56.949 -0.642 4.800 119 HB3 GLN 16 HB1 GLN 16 58.693 -0.560 5.051 120 HG2 GLN 16 HG2 GLN 16 57.174 0.018 7.487 121 HG3 GLN 16 HG1 GLN 16 56.850 -1.595 6.854 122 HE21 GLN 16 HE21 GLN 16 59.719 0.552 7.383 123 HE22 GLN 16 HE22 GLN 16 60.725 -0.698 7.935 124 H LYS 17 HN LYS 17 56.150 1.157 3.402 125 HA LYS 17 HA LYS 17 58.044 1.853 1.348 126 HB2 LYS 17 HB2 LYS 17 55.042 1.675 1.597 127 HB3 LYS 17 HB1 LYS 17 55.779 2.248 0.100 128 HG2 LYS 17 HG2 LYS 17 56.914 0.200 -0.263 129 HG3 LYS 17 HG1 LYS 17 56.681 -0.318 1.406 130 HD2 LYS 17 HD2 LYS 17 54.099 0.178 0.312 131 HD3 LYS 17 HD1 LYS 17 54.985 -0.807 -0.855 132 HE2 LYS 17 HE2 LYS 17 55.478 -2.486 0.833 133 HE3 LYS 17 HE1 LYS 17 54.801 -1.457 2.110 134 HZ1 LYS 17 HZ1 LYS 17 53.105 -2.961 1.465 135 HZ2 LYS 17 HZ2 LYS 17 53.356 -2.660 -0.189 136 HZ3 LYS 17 HZ3 LYS 17 52.685 -1.453 0.801 137 H ASN 18 HN ASN 18 55.896 3.790 3.412 138 HA ASN 18 HA ASN 18 56.196 6.237 1.846 139 HB2 ASN 18 HB2 ASN 18 54.400 6.721 3.131 140 HB3 ASN 18 HB1 ASN 18 54.650 5.238 4.044 141 HD21 ASN 18 HD21 ASN 18 55.755 5.411 6.127 142 HD22 ASN 18 HD22 ASN 18 56.060 6.914 6.848 143 H GLU 19 HN GLU 19 57.740 4.914 4.804 144 HA GLU 19 HA GLU 19 59.356 7.264 5.316 145 HB2 GLU 19 HB2 GLU 19 60.476 5.796 6.916 146 HB3 GLU 19 HB1 GLU 19 58.744 5.496 6.973 147 HG2 GLU 19 HG2 GLU 19 58.945 3.459 5.781 148 HG3 GLU 19 HG1 GLU 19 60.569 3.846 5.221 149 H PHE 20 HN PHE 20 59.795 4.425 3.250 150 HA PHE 20 HA PHE 20 62.619 4.606 2.811 151 HB2 PHE 20 HB2 PHE 20 60.281 3.678 1.120 152 HB3 PHE 20 HB1 PHE 20 61.956 3.445 0.634 153 HD1 PHE 20 HD2 PHE 20 62.563 3.189 3.889 154 HD2 PHE 20 HD1 PHE 20 60.175 1.132 0.967 155 HE1 PHE 20 HE2 PHE 20 62.656 1.132 5.263 156 HE2 PHE 20 HE1 PHE 20 60.270 -0.927 2.345 157 HZ PHE 20 HZ PHE 20 61.510 -0.925 4.489 158 H LYS 21 HN LYS 21 59.884 6.120 1.060 159 HA LYS 21 HA LYS 21 61.534 7.544 -0.850 160 HB2 LYS 21 HB2 LYS 21 59.042 6.880 -0.915 161 HB3 LYS 21 HB1 LYS 21 58.762 8.288 0.109 162 HG2 LYS 21 HG2 LYS 21 60.461 8.796 -2.260 163 HG3 LYS 21 HG1 LYS 21 58.790 8.366 -2.625 164 HD2 LYS 21 HD2 LYS 21 57.952 10.154 -1.222 165 HD3 LYS 21 HD1 LYS 21 59.577 10.517 -0.640 166 HE2 LYS 21 HE2 LYS 21 60.202 10.982 -3.092 167 HE3 LYS 21 HE1 LYS 21 58.456 10.966 -3.421 168 HZ1 LYS 21 HZ1 LYS 21 59.347 13.195 -2.809 169 HZ2 LYS 21 HZ2 LYS 21 59.719 12.583 -1.271 170 HZ3 LYS 21 HZ3 LYS 21 58.102 12.653 -1.793 171 H ALA 22 HN ALA 22 59.914 8.533 2.194 172 HA ALA 22 HA ALA 22 60.612 11.279 2.206 173 HB1 ALA 22 HB1 ALA 22 60.452 9.385 4.573 174 HB2 ALA 22 HB2 ALA 22 59.041 10.030 3.732 175 HB3 ALA 22 HB3 ALA 22 60.134 11.120 4.583 176 H ALA 23 HN ALA 23 62.436 8.483 3.513 177 HA ALA 23 HA ALA 23 64.666 10.034 4.505 178 HB1 ALA 23 HB1 ALA 23 65.744 7.668 4.317 179 HB2 ALA 23 HB2 ALA 23 64.153 7.146 3.766 180 HB3 ALA 23 HB3 ALA 23 64.343 7.844 5.375 181 H PHE 24 HN PHE 24 64.154 8.146 1.503 182 HA PHE 24 HA PHE 24 66.634 8.501 0.224 183 HB2 PHE 24 HB2 PHE 24 64.140 7.474 -0.359 184 HB3 PHE 24 HB1 PHE 24 64.254 8.817 -1.493 185 HD1 PHE 24 HD2 PHE 24 66.206 5.850 -0.246 186 HD2 PHE 24 HD1 PHE 24 65.465 8.574 -3.488 187 HE1 PHE 24 HE2 PHE 24 67.672 4.498 -1.724 188 HE2 PHE 24 HE1 PHE 24 66.926 7.218 -4.959 189 HZ PHE 24 HZ PHE 24 68.028 5.178 -4.080 190 H ASP 25 HN ASP 25 63.783 10.670 0.092 191 HA ASP 25 HA ASP 25 64.758 12.647 -1.664 192 HB2 ASP 25 HB2 ASP 25 62.792 12.452 0.568 193 HB3 ASP 25 HB1 ASP 25 63.223 14.075 0.037 194 H ILE 26 HN ILE 26 65.451 12.222 1.806 195 HA ILE 26 HA ILE 26 66.592 14.761 2.381 196 HB ILE 26 HB ILE 26 67.248 11.974 3.387 197 HG12 ILE 26 HG12 ILE 26 65.443 14.176 4.443 198 HG13 ILE 26 HG11 ILE 26 64.903 12.670 3.708 199 HG21 ILE 26 HG21 ILE 26 69.088 13.337 4.050 200 HG22 ILE 26 HG22 ILE 26 68.012 13.316 5.445 201 HG23 ILE 26 HG23 ILE 26 68.047 14.720 4.378 202 HD11 ILE 26 HD11 ILE 26 64.801 12.041 5.926 203 HD12 ILE 26 HD12 ILE 26 66.093 13.146 6.404 204 HD13 ILE 26 HD13 ILE 26 66.483 11.627 5.601 205 H PHE 27 HN PHE 27 68.131 11.883 0.898 206 HA PHE 27 HA PHE 27 70.653 13.456 0.584 207 HB2 PHE 27 HB2 PHE 27 70.855 10.775 -0.445 208 HB3 PHE 27 HB1 PHE 27 71.689 11.483 0.927 209 HD1 PHE 27 HD2 PHE 27 70.411 11.558 3.179 210 HD2 PHE 27 HD1 PHE 27 69.231 9.094 -0.135 211 HE1 PHE 27 HE2 PHE 27 69.114 10.112 4.716 212 HE2 PHE 27 HE1 PHE 27 67.939 7.642 1.405 213 HZ PHE 27 HZ PHE 27 67.881 8.152 3.832 214 H VAL 28 HN VAL 28 67.918 12.359 -1.250 215 HA VAL 28 HA VAL 28 69.128 12.230 -3.869 216 HB VAL 28 HB VAL 28 66.365 12.528 -2.712 217 HG11 VAL 28 HG11 VAL 28 67.165 12.934 -5.596 218 HG12 VAL 28 HG12 VAL 28 66.049 13.887 -4.619 219 HG13 VAL 28 HG13 VAL 28 65.579 12.283 -5.174 220 HG21 VAL 28 HG21 VAL 28 66.983 10.287 -2.750 221 HG22 VAL 28 HG22 VAL 28 67.969 10.476 -4.199 222 HG23 VAL 28 HG23 VAL 28 66.211 10.434 -4.328 223 H GLN 29 HN GLN 29 68.006 14.908 -1.878 224 HA GLN 29 HA GLN 29 67.602 16.928 -3.811 225 HB2 GLN 29 HB2 GLN 29 67.266 16.905 -1.268 226 HB3 GLN 29 HB1 GLN 29 68.988 17.265 -1.139 227 HG2 GLN 29 HG2 GLN 29 67.762 19.361 -1.068 228 HG3 GLN 29 HG1 GLN 29 68.619 19.267 -2.605 229 HE21 GLN 29 HE21 GLN 29 67.362 19.215 -4.538 230 HE22 GLN 29 HE22 GLN 29 65.666 19.279 -4.544 231 H GLY 30 HN GLY 30 70.670 15.779 -2.350 232 HA2 GLY 30 HA2 GLY 30 72.165 17.607 -4.176 233 HA3 GLY 30 HA1 GLY 30 72.846 16.840 -2.741 234 H ALA 31 HN ALA 31 71.112 15.639 -5.638 235 HA ALA 31 HA ALA 31 73.439 13.843 -6.193 236 HB1 ALA 31 HB1 ALA 31 70.526 13.177 -5.771 237 HB2 ALA 31 HB2 ALA 31 71.932 12.486 -4.965 238 HB3 ALA 31 HB3 ALA 31 71.597 12.087 -6.651 239 H GLU 32 HN GLU 32 73.711 13.344 -8.411 240 HA GLU 32 HA GLU 32 72.676 15.269 -10.308 241 HB2 GLU 32 HB2 GLU 32 74.825 13.556 -10.110 242 HB3 GLU 32 HB1 GLU 32 73.840 12.752 -11.330 243 HG2 GLU 32 HG2 GLU 32 74.973 14.190 -12.719 244 HG3 GLU 32 HG1 GLU 32 73.661 15.274 -12.256 245 H ASP 33 HN ASP 33 72.158 11.740 -9.926 246 HA ASP 33 HA ASP 33 69.737 11.957 -11.675 247 HB2 ASP 33 HB2 ASP 33 71.661 9.750 -10.914 248 HB3 ASP 33 HB1 ASP 33 70.132 9.406 -11.722 249 H GLY 34 HN GLY 34 70.017 12.473 -8.587 250 HA2 GLY 34 HA2 GLY 34 68.625 12.118 -6.726 251 HA3 GLY 34 HA1 GLY 34 67.480 11.371 -7.836 252 H SER 35 HN SER 35 70.783 10.195 -7.395 253 HA SER 35 HA SER 35 69.675 7.770 -6.008 254 HB2 SER 35 HB2 SER 35 71.167 8.160 -8.513 255 HB3 SER 35 HB1 SER 35 71.910 6.969 -7.455 256 HG SER 35 HG SER 35 70.192 5.705 -7.640 257 H ILE 36 HN ILE 36 71.125 6.807 -4.447 258 HA ILE 36 HA ILE 36 73.153 8.711 -3.369 259 HB ILE 36 HB ILE 36 72.012 6.145 -2.207 260 HG12 ILE 36 HG12 ILE 36 71.096 8.687 -1.069 261 HG13 ILE 36 HG11 ILE 36 70.597 8.472 -2.748 262 HG21 ILE 36 HG21 ILE 36 73.276 8.507 -0.794 263 HG22 ILE 36 HG22 ILE 36 74.180 7.068 -1.265 264 HG23 ILE 36 HG23 ILE 36 72.862 6.938 -0.103 265 HD11 ILE 36 HD11 ILE 36 69.823 6.140 -2.099 266 HD12 ILE 36 HD12 ILE 36 68.889 7.462 -1.398 267 HD13 ILE 36 HD13 ILE 36 70.085 6.609 -0.420 268 H SER 37 HN SER 37 75.330 8.113 -3.076 269 HA SER 37 HA SER 37 76.305 5.869 -4.745 270 HB2 SER 37 HB2 SER 37 77.306 8.181 -4.729 271 HB3 SER 37 HB1 SER 37 77.789 7.915 -3.058 272 HG SER 37 HG SER 37 78.734 6.747 -5.426 273 H THR 38 HN THR 38 78.010 4.401 -3.769 274 HA THR 38 HA THR 38 77.051 2.996 -1.482 275 HB THR 38 HB THR 38 79.270 1.862 -1.627 276 HG1 THR 38 HG1 THR 38 80.855 2.720 -2.801 277 HG21 THR 38 HG21 THR 38 78.354 0.731 -3.341 278 HG22 THR 38 HG22 THR 38 78.881 1.995 -4.454 279 HG23 THR 38 HG23 THR 38 77.302 2.108 -3.682 280 H LYS 39 HN LYS 39 79.545 5.527 -1.764 281 HA LYS 39 HA LYS 39 80.529 5.417 0.924 282 HB2 LYS 39 HB2 LYS 39 81.440 7.615 0.375 283 HB3 LYS 39 HB1 LYS 39 81.556 6.582 -1.048 284 HG2 LYS 39 HG2 LYS 39 79.500 7.592 -1.956 285 HG3 LYS 39 HG1 LYS 39 79.361 8.603 -0.521 286 HD2 LYS 39 HD2 LYS 39 81.888 9.223 -1.244 287 HD3 LYS 39 HD1 LYS 39 81.221 8.845 -2.830 288 HE2 LYS 39 HE2 LYS 39 79.310 10.431 -1.366 289 HE3 LYS 39 HE1 LYS 39 80.887 11.250 -1.367 290 HZ1 LYS 39 HZ1 LYS 39 79.827 11.823 -3.397 291 HZ2 LYS 39 HZ2 LYS 39 79.391 10.210 -3.716 292 HZ3 LYS 39 HZ3 LYS 39 81.017 10.684 -3.792 293 H GLU 40 HN GLU 40 77.657 6.955 -0.469 294 HA GLU 40 HA GLU 40 77.036 8.391 2.055 295 HB2 GLU 40 HB2 GLU 40 75.685 8.157 -0.656 296 HB3 GLU 40 HB1 GLU 40 75.103 9.187 0.647 297 HG2 GLU 40 HG2 GLU 40 77.776 9.395 -0.772 298 HG3 GLU 40 HG1 GLU 40 76.435 10.531 -0.885 299 H LEU 41 HN LEU 41 76.094 5.487 0.293 300 HA LEU 41 HA LEU 41 73.553 4.935 1.422 301 HB2 LEU 41 HB2 LEU 41 75.304 3.772 -0.341 302 HB3 LEU 41 HB1 LEU 41 75.361 2.643 1.011 303 HG LEU 41 HG LEU 41 73.592 1.926 -0.476 304 HD11 LEU 41 HD11 LEU 41 71.819 1.768 1.066 305 HD12 LEU 41 HD12 LEU 41 72.127 3.373 1.725 306 HD13 LEU 41 HD13 LEU 41 73.226 2.044 2.093 307 HD21 LEU 41 HD21 LEU 41 71.603 3.698 -0.639 308 HD22 LEU 41 HD22 LEU 41 72.935 3.714 -1.794 309 HD23 LEU 41 HD23 LEU 41 72.927 4.846 -0.446 310 H GLY 42 HN GLY 42 76.795 4.386 2.794 311 HA2 GLY 42 HA2 GLY 42 76.079 2.624 4.910 312 HA3 GLY 42 HA1 GLY 42 77.428 3.759 4.974 313 H LYS 43 HN LYS 43 76.078 6.187 4.765 314 HA LYS 43 HA LYS 43 75.130 6.629 7.458 315 HB2 LYS 43 HB2 LYS 43 75.149 8.201 4.871 316 HB3 LYS 43 HB1 LYS 43 74.495 8.878 6.364 317 HG2 LYS 43 HG2 LYS 43 76.781 8.104 7.397 318 HG3 LYS 43 HG1 LYS 43 77.329 8.102 5.724 319 HD2 LYS 43 HD2 LYS 43 75.814 10.497 6.671 320 HD3 LYS 43 HD1 LYS 43 77.473 10.302 7.240 321 HE2 LYS 43 HE2 LYS 43 78.046 11.309 5.267 322 HE3 LYS 43 HE1 LYS 43 77.714 9.719 4.545 323 HZ1 LYS 43 HZ1 LYS 43 76.378 11.365 3.436 324 HZ2 LYS 43 HZ2 LYS 43 75.767 11.937 4.915 325 HZ3 LYS 43 HZ3 LYS 43 75.355 10.383 4.366 326 H VAL 44 HN VAL 44 73.490 6.196 4.318 327 HA VAL 44 HA VAL 44 70.817 6.852 5.077 328 HB VAL 44 HB VAL 44 72.062 4.911 3.107 329 HG11 VAL 44 HG11 VAL 44 69.691 5.099 2.037 330 HG12 VAL 44 HG12 VAL 44 69.167 5.511 3.672 331 HG13 VAL 44 HG13 VAL 44 69.936 3.956 3.354 332 HG21 VAL 44 HG21 VAL 44 71.602 6.627 1.493 333 HG22 VAL 44 HG22 VAL 44 72.329 7.437 2.881 334 HG23 VAL 44 HG23 VAL 44 70.588 7.512 2.634 335 H MET 45 HN MET 45 72.676 3.835 5.327 336 HA MET 45 HA MET 45 70.551 2.176 6.345 337 HB2 MET 45 HB2 MET 45 73.572 2.005 6.675 338 HB3 MET 45 HB1 MET 45 72.438 0.673 6.867 339 HG2 MET 45 HG2 MET 45 72.037 1.999 4.315 340 HG3 MET 45 HG1 MET 45 73.704 1.451 4.484 341 HE1 MET 45 HE1 MET 45 69.882 -1.029 4.885 342 HE2 MET 45 HE2 MET 45 69.998 0.379 3.829 343 HE3 MET 45 HE3 MET 45 70.236 0.567 5.561 344 H ARG 46 HN ARG 46 73.214 3.948 7.972 345 HA ARG 46 HA ARG 46 72.626 3.268 10.675 346 HB2 ARG 46 HB2 ARG 46 74.260 5.091 9.143 347 HB3 ARG 46 HB1 ARG 46 73.603 5.930 10.549 348 HG2 ARG 46 HG2 ARG 46 74.599 3.188 11.065 349 HG3 ARG 46 HG1 ARG 46 75.834 4.366 10.627 350 HD2 ARG 46 HD2 ARG 46 75.632 4.471 13.022 351 HD3 ARG 46 HD1 ARG 46 74.788 5.903 12.409 352 HE ARG 46 HE ARG 46 72.668 4.784 12.826 353 HH11 ARG 46 HH11 ARG 46 73.855 4.354 15.480 354 HH12 ARG 46 HH12 ARG 46 73.717 2.641 15.702 355 HH21 ARG 46 HH21 ARG 46 73.149 1.995 12.345 356 HH22 ARG 46 HH22 ARG 46 73.317 1.305 13.921 357 H MET 47 HN MET 47 71.059 5.559 8.519 358 HA MET 47 HA MET 47 69.689 7.044 10.627 359 HB2 MET 47 HB2 MET 47 70.360 7.761 8.242 360 HB3 MET 47 HB1 MET 47 68.943 6.858 7.705 361 HG2 MET 47 HG2 MET 47 67.487 8.221 9.109 362 HG3 MET 47 HG1 MET 47 68.883 9.068 9.781 363 HE1 MET 47 HE1 MET 47 67.095 9.212 5.620 364 HE2 MET 47 HE2 MET 47 66.100 9.628 7.013 365 HE3 MET 47 HE3 MET 47 66.867 8.044 6.929 366 H LEU 48 HN LEU 48 68.953 4.176 8.664 367 HA LEU 48 HA LEU 48 66.123 4.206 9.560 368 HB2 LEU 48 HB2 LEU 48 67.774 2.898 7.481 369 HB3 LEU 48 HB1 LEU 48 66.519 1.870 8.169 370 HG LEU 48 HG LEU 48 64.987 3.987 7.814 371 HD11 LEU 48 HD11 LEU 48 65.868 4.985 5.511 372 HD12 LEU 48 HD12 LEU 48 67.436 4.541 6.180 373 HD13 LEU 48 HD13 LEU 48 66.395 5.664 7.053 374 HD21 LEU 48 HD21 LEU 48 64.391 3.147 5.588 375 HD22 LEU 48 HD22 LEU 48 64.741 1.797 6.666 376 HD23 LEU 48 HD23 LEU 48 65.934 2.305 5.470 377 H GLY 49 HN GLY 49 69.043 2.134 9.940 378 HA2 GLY 49 HA2 GLY 49 68.865 1.459 12.573 379 HA3 GLY 49 HA1 GLY 49 67.626 0.418 11.879 380 H GLN 50 HN GLN 50 70.797 1.305 10.471 381 HA GLN 50 HA GLN 50 71.767 -1.470 10.923 382 HB2 GLN 50 HB2 GLN 50 72.375 -0.758 8.211 383 HB3 GLN 50 HB1 GLN 50 71.417 -2.115 8.783 384 HG2 GLN 50 HG2 GLN 50 70.097 0.571 8.695 385 HG3 GLN 50 HG1 GLN 50 70.399 -0.240 7.167 386 HE21 GLN 50 HE21 GLN 50 69.871 -2.901 7.677 387 HE22 GLN 50 HE22 GLN 50 68.281 -3.099 8.237 388 H ASN 51 HN ASN 51 74.161 -1.593 9.986 389 HA ASN 51 HA ASN 51 75.532 1.045 10.003 390 HB2 ASN 51 HB2 ASN 51 75.089 -0.148 12.366 391 HB3 ASN 51 HB1 ASN 51 76.562 -1.010 11.919 392 HD21 ASN 51 HD21 ASN 51 78.482 0.435 11.301 393 HD22 ASN 51 HD22 ASN 51 78.620 1.936 12.079 394 HA PRO 52 HA PRO 52 77.633 -2.348 7.562 395 HB2 PRO 52 HB2 PRO 52 77.014 -1.536 5.030 396 HB3 PRO 52 HB1 PRO 52 76.001 -2.655 5.959 397 HG2 PRO 52 HG2 PRO 52 75.590 0.208 5.363 398 HG3 PRO 52 HG1 PRO 52 74.405 -1.073 5.634 399 HD2 PRO 52 HD2 PRO 52 75.162 0.881 7.479 400 HD3 PRO 52 HD1 PRO 52 74.264 -0.609 7.836 401 H THR 53 HN THR 53 79.788 -1.953 6.983 402 HA THR 53 HA THR 53 80.822 0.755 7.063 403 HB THR 53 HB THR 53 82.908 -0.666 6.207 404 HG1 THR 53 HG1 THR 53 82.634 -2.775 6.334 405 HG21 THR 53 HG21 THR 53 81.711 -1.260 8.914 406 HG22 THR 53 HG22 THR 53 82.420 0.303 8.507 407 HG23 THR 53 HG23 THR 53 83.418 -1.149 8.486 408 HA PRO 54 HA PRO 54 80.253 1.854 2.865 409 HB2 PRO 54 HB2 PRO 54 82.306 3.648 2.573 410 HB3 PRO 54 HB1 PRO 54 80.799 4.006 3.445 411 HG2 PRO 54 HG2 PRO 54 83.461 3.191 4.527 412 HG3 PRO 54 HG1 PRO 54 82.330 4.421 5.124 413 HD2 PRO 54 HD2 PRO 54 82.526 1.982 6.262 414 HD3 PRO 54 HD1 PRO 54 80.982 2.867 6.175 415 H GLU 55 HN GLU 55 83.547 0.860 3.848 416 HA GLU 55 HA GLU 55 84.451 0.429 1.126 417 HB2 GLU 55 HB2 GLU 55 86.450 -0.054 2.156 418 HB3 GLU 55 HB1 GLU 55 85.652 0.738 3.509 419 HG2 GLU 55 HG2 GLU 55 85.312 -2.228 3.146 420 HG3 GLU 55 HG1 GLU 55 86.802 -1.611 3.848 421 H GLU 56 HN GLU 56 82.799 -1.588 3.523 422 HA GLU 56 HA GLU 56 83.084 -4.032 1.866 423 HB2 GLU 56 HB2 GLU 56 82.107 -3.261 4.576 424 HB3 GLU 56 HB1 GLU 56 81.398 -4.705 3.857 425 HG2 GLU 56 HG2 GLU 56 84.388 -4.300 3.910 426 HG3 GLU 56 HG1 GLU 56 83.539 -5.000 5.289 427 H LEU 57 HN LEU 57 80.612 -1.657 2.794 428 HA LEU 57 HA LEU 57 78.300 -2.944 1.736 429 HB2 LEU 57 HB2 LEU 57 78.376 -0.961 3.234 430 HB3 LEU 57 HB1 LEU 57 79.003 0.003 1.901 431 HG LEU 57 HG LEU 57 76.927 -0.631 0.598 432 HD11 LEU 57 HD11 LEU 57 75.961 -1.515 3.334 433 HD12 LEU 57 HD12 LEU 57 76.394 -2.623 2.032 434 HD13 LEU 57 HD13 LEU 57 75.035 -1.521 1.834 435 HD21 LEU 57 HD21 LEU 57 75.450 0.896 2.057 436 HD22 LEU 57 HD22 LEU 57 76.997 1.555 1.519 437 HD23 LEU 57 HD23 LEU 57 76.820 0.953 3.168 438 H GLN 58 HN GLN 58 80.911 -1.209 0.116 439 HA GLN 58 HA GLN 58 79.742 -0.433 -2.319 440 HB2 GLN 58 HB2 GLN 58 82.140 -0.184 -1.452 441 HB3 GLN 58 HB1 GLN 58 82.424 -1.825 -2.031 442 HG2 GLN 58 HG2 GLN 58 81.134 -0.019 -3.993 443 HG3 GLN 58 HG1 GLN 58 82.787 0.413 -3.560 444 HE21 GLN 58 HE21 GLN 58 80.878 -1.780 -5.442 445 HE22 GLN 58 HE22 GLN 58 82.148 -2.787 -5.943 446 H GLU 59 HN GLU 59 81.106 -3.662 -1.505 447 HA GLU 59 HA GLU 59 80.372 -4.948 -3.977 448 HB2 GLU 59 HB2 GLU 59 82.022 -5.972 -2.617 449 HB3 GLU 59 HB1 GLU 59 81.041 -5.816 -1.160 450 HG2 GLU 59 HG2 GLU 59 79.622 -7.390 -3.128 451 HG3 GLU 59 HG1 GLU 59 81.226 -8.067 -2.864 452 H MET 60 HN MET 60 78.747 -4.710 -0.806 453 HA MET 60 HA MET 60 76.487 -6.357 -1.307 454 HB2 MET 60 HB2 MET 60 77.369 -4.248 0.541 455 HB3 MET 60 HB1 MET 60 75.615 -4.305 0.342 456 HG2 MET 60 HG2 MET 60 76.025 -6.925 0.602 457 HG3 MET 60 HG1 MET 60 77.470 -6.373 1.452 458 HE1 MET 60 HE1 MET 60 74.054 -5.466 0.686 459 HE2 MET 60 HE2 MET 60 73.546 -4.439 2.021 460 HE3 MET 60 HE3 MET 60 73.180 -6.164 2.057 461 H ILE 61 HN ILE 61 76.828 -2.808 -1.751 462 HA ILE 61 HA ILE 61 74.212 -2.393 -2.864 463 HB ILE 61 HB ILE 61 76.838 -0.930 -2.756 464 HG12 ILE 61 HG12 ILE 61 74.039 -0.153 -1.870 465 HG13 ILE 61 HG11 ILE 61 75.176 -1.031 -0.847 466 HG21 ILE 61 HG21 ILE 61 76.288 -0.032 -4.807 467 HG22 ILE 61 HG22 ILE 61 75.271 0.993 -3.795 468 HG23 ILE 61 HG23 ILE 61 74.572 -0.399 -4.624 469 HD11 ILE 61 HD11 ILE 61 75.491 1.227 -0.242 470 HD12 ILE 61 HD12 ILE 61 75.409 1.782 -1.914 471 HD13 ILE 61 HD13 ILE 61 76.822 0.892 -1.346 472 H ASP 62 HN ASP 62 77.411 -2.896 -4.425 473 HA ASP 62 HA ASP 62 76.544 -2.669 -7.137 474 HB2 ASP 62 HB2 ASP 62 78.810 -3.834 -5.609 475 HB3 ASP 62 HB1 ASP 62 78.594 -4.448 -7.249 476 H GLU 63 HN GLU 63 76.435 -5.433 -4.891 477 HA GLU 63 HA GLU 63 75.785 -7.504 -6.760 478 HB2 GLU 63 HB2 GLU 63 76.089 -7.154 -3.988 479 HB3 GLU 63 HB1 GLU 63 74.422 -7.690 -4.176 480 HG2 GLU 63 HG2 GLU 63 75.740 -9.675 -3.961 481 HG3 GLU 63 HG1 GLU 63 75.323 -9.554 -5.670 482 H VAL 64 HN VAL 64 73.730 -5.188 -4.987 483 HA VAL 64 HA VAL 64 71.239 -6.210 -6.152 484 HB VAL 64 HB VAL 64 71.855 -3.638 -4.644 485 HG11 VAL 64 HG11 VAL 64 69.496 -3.589 -4.137 486 HG12 VAL 64 HG12 VAL 64 69.249 -5.171 -4.877 487 HG13 VAL 64 HG13 VAL 64 69.654 -3.781 -5.882 488 HG21 VAL 64 HG21 VAL 64 71.080 -6.409 -3.678 489 HG22 VAL 64 HG22 VAL 64 71.005 -4.968 -2.665 490 HG23 VAL 64 HG23 VAL 64 72.556 -5.525 -3.295 491 H ASP 65 HN ASP 65 73.606 -3.698 -6.880 492 HA ASP 65 HA ASP 65 71.961 -2.219 -8.769 493 HB2 ASP 65 HB2 ASP 65 74.129 -1.607 -7.409 494 HB3 ASP 65 HB1 ASP 65 74.973 -2.337 -8.773 495 H GLU 66 HN GLU 66 71.143 -3.864 -10.217 496 HA GLU 66 HA GLU 66 73.047 -5.530 -11.738 497 HB2 GLU 66 HB2 GLU 66 70.064 -5.212 -11.510 498 HB3 GLU 66 HB1 GLU 66 70.748 -6.141 -12.844 499 HG2 GLU 66 HG2 GLU 66 71.743 -7.718 -11.394 500 HG3 GLU 66 HG1 GLU 66 71.597 -6.656 -9.996 501 H ASP 67 HN ASP 67 71.213 -2.550 -12.193 502 HA ASP 67 HA ASP 67 71.370 -2.421 -15.075 503 HB2 ASP 67 HB2 ASP 67 70.860 0.014 -14.615 504 HB3 ASP 67 HB1 ASP 67 69.767 -1.109 -13.810 505 H GLY 68 HN GLY 68 73.724 -1.783 -12.551 506 HA2 GLY 68 HA2 GLY 68 76.048 -1.430 -12.829 507 HA3 GLY 68 HA1 GLY 68 75.795 -1.307 -14.567 508 H SER 69 HN SER 69 74.703 0.598 -11.709 509 HA SER 69 HA SER 69 75.538 3.053 -13.219 510 HB2 SER 69 HB2 SER 69 73.755 4.190 -12.072 511 HB3 SER 69 HB1 SER 69 73.093 2.674 -12.675 512 HG SER 69 HG SER 69 73.358 3.561 -10.129 513 H GLY 70 HN GLY 70 75.727 1.365 -10.092 514 HA2 GLY 70 HA2 GLY 70 77.695 1.598 -8.672 515 HA3 GLY 70 HA1 GLY 70 77.935 3.216 -9.327 516 H THR 71 HN THR 71 74.977 3.788 -9.018 517 HA THR 71 HA THR 71 75.055 4.387 -6.089 518 HB THR 71 HB THR 71 73.384 6.177 -6.865 519 HG1 THR 71 HG1 THR 71 73.538 6.602 -9.125 520 HG21 THR 71 HG21 THR 71 75.951 6.583 -8.331 521 HG22 THR 71 HG22 THR 71 76.040 6.262 -6.599 522 HG23 THR 71 HG23 THR 71 75.125 7.646 -7.192 523 H VAL 72 HN VAL 72 73.111 4.120 -4.860 524 HA VAL 72 HA VAL 72 71.360 1.919 -5.781 525 HB VAL 72 HB VAL 72 71.671 3.469 -3.188 526 HG11 VAL 72 HG11 VAL 72 70.400 0.980 -2.730 527 HG12 VAL 72 HG12 VAL 72 69.530 1.738 -4.062 528 HG13 VAL 72 HG13 VAL 72 69.708 2.589 -2.528 529 HG21 VAL 72 HG21 VAL 72 73.150 1.344 -4.388 530 HG22 VAL 72 HG22 VAL 72 72.281 0.675 -3.007 531 HG23 VAL 72 HG23 VAL 72 73.365 2.047 -2.787 532 H ASP 73 HN ASP 73 69.220 2.176 -6.327 533 HA ASP 73 HA ASP 73 68.080 4.954 -6.266 534 HB2 ASP 73 HB2 ASP 73 66.615 3.989 -8.130 535 HB3 ASP 73 HB1 ASP 73 68.323 4.152 -8.516 536 H PHE 74 HN PHE 74 65.403 4.398 -6.583 537 HA PHE 74 HA PHE 74 64.497 3.752 -3.964 538 HB2 PHE 74 HB2 PHE 74 63.444 4.999 -6.033 539 HB3 PHE 74 HB1 PHE 74 62.798 3.406 -6.422 540 HD1 PHE 74 HD2 PHE 74 63.177 5.682 -3.453 541 HD2 PHE 74 HD1 PHE 74 60.734 2.814 -5.523 542 HE1 PHE 74 HE2 PHE 74 61.387 5.981 -1.763 543 HE2 PHE 74 HE1 PHE 74 58.947 3.118 -3.831 544 HZ PHE 74 HZ PHE 74 59.272 4.697 -1.952 545 H ASP 75 HN ASP 75 64.420 1.745 -6.943 546 HA ASP 75 HA ASP 75 63.215 -0.559 -5.747 547 HB2 ASP 75 HB2 ASP 75 63.859 0.249 -8.251 548 HB3 ASP 75 HB1 ASP 75 65.168 -0.900 -7.964 549 H GLU 76 HN GLU 76 66.682 0.211 -6.322 550 HA GLU 76 HA GLU 76 67.745 -2.206 -5.206 551 HB2 GLU 76 HB2 GLU 76 68.633 0.413 -6.106 552 HB3 GLU 76 HB1 GLU 76 69.546 -0.110 -4.691 553 HG2 GLU 76 HG2 GLU 76 70.508 -1.882 -5.787 554 HG3 GLU 76 HG1 GLU 76 69.100 -2.148 -6.816 555 H PHE 77 HN PHE 77 67.045 0.969 -3.725 556 HA PHE 77 HA PHE 77 67.996 0.390 -1.091 557 HB2 PHE 77 HB2 PHE 77 67.462 2.637 -1.969 558 HB3 PHE 77 HB1 PHE 77 65.760 2.194 -2.084 559 HD1 PHE 77 HD1 PHE 77 68.338 1.615 0.585 560 HD2 PHE 77 HD2 PHE 77 64.560 3.367 -0.461 561 HE1 PHE 77 HE1 PHE 77 67.999 2.291 2.947 562 HE2 PHE 77 HE2 PHE 77 64.220 4.042 1.898 563 HZ PHE 77 HZ PHE 77 65.936 3.509 3.601 564 H LEU 78 HN LEU 78 64.875 -0.218 -2.681 565 HA LEU 78 HA LEU 78 63.377 -1.033 -0.374 566 HB2 LEU 78 HB2 LEU 78 63.170 -0.980 -3.268 567 HB3 LEU 78 HB1 LEU 78 62.514 -2.494 -2.643 568 HG LEU 78 HG LEU 78 61.785 0.142 -1.376 569 HD11 LEU 78 HD11 LEU 78 61.299 0.255 -3.828 570 HD12 LEU 78 HD12 LEU 78 59.839 0.267 -2.839 571 HD13 LEU 78 HD13 LEU 78 60.331 -1.209 -3.672 572 HD21 LEU 78 HD21 LEU 78 60.662 -2.659 -1.482 573 HD22 LEU 78 HD22 LEU 78 59.668 -1.293 -0.977 574 HD23 LEU 78 HD23 LEU 78 61.118 -1.712 -0.065 575 H VAL 79 HN VAL 79 65.174 -2.987 -2.792 576 HA VAL 79 HA VAL 79 64.790 -5.524 -1.484 577 HB VAL 79 HB VAL 79 66.604 -4.347 -3.579 578 HG11 VAL 79 HG11 VAL 79 68.250 -5.785 -2.877 579 HG12 VAL 79 HG12 VAL 79 67.273 -6.967 -3.746 580 HG13 VAL 79 HG13 VAL 79 67.121 -6.813 -1.996 581 HG21 VAL 79 HG21 VAL 79 65.122 -6.886 -3.955 582 HG22 VAL 79 HG22 VAL 79 65.236 -5.481 -5.016 583 HG23 VAL 79 HG23 VAL 79 64.121 -5.467 -3.649 584 H MET 80 HN MET 80 67.543 -3.212 -1.446 585 HA MET 80 HA MET 80 69.270 -4.620 0.305 586 HB2 MET 80 HB2 MET 80 70.021 -2.670 -0.870 587 HB3 MET 80 HB1 MET 80 68.731 -1.680 -0.196 588 HG2 MET 80 HG2 MET 80 70.225 -1.046 1.382 589 HG3 MET 80 HG1 MET 80 70.045 -2.662 2.060 590 HE1 MET 80 HE1 MET 80 72.711 -0.600 2.130 591 HE2 MET 80 HE2 MET 80 72.157 -0.080 0.537 592 HE3 MET 80 HE3 MET 80 73.759 -0.785 0.718 593 H MET 81 HN MET 81 66.589 -2.374 1.083 594 HA MET 81 HA MET 81 66.935 -2.331 3.913 595 HB2 MET 81 HB2 MET 81 64.974 -1.563 1.897 596 HB3 MET 81 HB1 MET 81 64.196 -2.113 3.380 597 HG2 MET 81 HG2 MET 81 66.484 -0.139 3.427 598 HG3 MET 81 HG1 MET 81 64.810 0.385 3.252 599 HE1 MET 81 HE1 MET 81 67.308 0.604 5.271 600 HE2 MET 81 HE2 MET 81 67.526 -1.059 5.811 601 HE3 MET 81 HE3 MET 81 66.931 0.160 6.938 602 H VAL 82 HN VAL 82 64.930 -4.501 1.870 603 HA VAL 82 HA VAL 82 63.789 -5.993 4.039 604 HB VAL 82 HB VAL 82 64.291 -6.539 1.106 605 HG11 VAL 82 HG11 VAL 82 64.207 -8.732 1.953 606 HG12 VAL 82 HG12 VAL 82 62.532 -8.397 1.523 607 HG13 VAL 82 HG13 VAL 82 63.046 -8.302 3.209 608 HG21 VAL 82 HG21 VAL 82 61.686 -6.142 2.594 609 HG22 VAL 82 HG22 VAL 82 61.979 -6.010 0.858 610 HG23 VAL 82 HG23 VAL 82 62.618 -4.788 1.955 611 H ARG 83 HN ARG 83 66.758 -6.570 2.107 612 HA ARG 83 HA ARG 83 67.346 -9.066 3.541 613 HB2 ARG 83 HB2 ARG 83 69.267 -9.142 2.095 614 HB3 ARG 83 HB1 ARG 83 67.919 -8.543 1.134 615 HG2 ARG 83 HG2 ARG 83 68.813 -6.416 0.969 616 HG3 ARG 83 HG1 ARG 83 69.625 -6.523 2.527 617 HD2 ARG 83 HD2 ARG 83 71.497 -6.793 1.222 618 HD3 ARG 83 HD1 ARG 83 70.948 -8.478 1.159 619 HE ARG 83 HE ARG 83 69.719 -6.717 -0.849 620 HH11 ARG 83 HH11 ARG 83 72.854 -7.072 -0.943 621 HH12 ARG 83 HH12 ARG 83 72.958 -8.272 -2.184 622 HH21 ARG 83 HH21 ARG 83 69.592 -9.100 -2.023 623 HH22 ARG 83 HH22 ARG 83 71.111 -9.430 -2.789 624 H SER 84 HN SER 84 68.211 -5.675 3.936 625 HA SER 84 HA SER 84 70.460 -6.286 5.743 626 HB2 SER 84 HB2 SER 84 70.747 -3.908 5.761 627 HB3 SER 84 HB1 SER 84 70.249 -4.314 4.124 628 HG SER 84 HG SER 84 68.407 -3.324 4.442 629 H MET 85 HN MET 85 67.018 -5.723 6.024 630 HA MET 85 HA MET 85 66.826 -4.699 8.665 631 HB2 MET 85 HB2 MET 85 65.162 -6.193 6.720 632 HB3 MET 85 HB1 MET 85 64.664 -6.371 8.400 633 HG2 MET 85 HG2 MET 85 64.780 -3.832 8.582 634 HG3 MET 85 HG1 MET 85 64.957 -3.799 6.828 635 HE1 MET 85 HE1 MET 85 61.438 -2.634 6.874 636 HE2 MET 85 HE2 MET 85 62.560 -3.072 5.591 637 HE3 MET 85 HE3 MET 85 63.156 -2.215 7.007 638 H LYS 86 HN LYS 86 67.083 -8.092 7.534 639 HA LYS 86 HA LYS 86 67.562 -10.087 8.702 640 HB2 LYS 86 HB2 LYS 86 69.452 -8.110 9.185 641 HB3 LYS 86 HB1 LYS 86 69.073 -8.687 10.804 642 HG2 LYS 86 HG2 LYS 86 69.693 -10.574 8.522 643 HG3 LYS 86 HG1 LYS 86 70.951 -9.918 9.566 644 HD2 LYS 86 HD2 LYS 86 68.764 -10.921 11.173 645 HD3 LYS 86 HD1 LYS 86 69.323 -12.173 10.066 646 HE2 LYS 86 HE2 LYS 86 71.505 -12.165 10.956 647 HE3 LYS 86 HE1 LYS 86 71.307 -10.550 11.664 648 HZ1 LYS 86 HZ1 LYS 86 69.686 -12.911 12.467 649 HZ2 LYS 86 HZ2 LYS 86 69.719 -11.384 13.209 650 HZ3 LYS 86 HZ3 LYS 86 71.075 -12.401 13.296 651 H ASP 87 HN ASP 87 65.117 -9.775 9.373 652 HA ASP 87 HA ASP 87 63.489 -10.189 11.015 653 HB2 ASP 87 HB2 ASP 87 65.300 -11.781 11.755 654 HB3 ASP 87 HB1 ASP 87 65.884 -10.531 12.853 655 H ASP 88 HN ASP 88 65.946 -8.631 13.126 656 HA ASP 88 HA ASP 88 64.027 -6.346 13.444 657 HB2 ASP 88 HB2 ASP 88 64.682 -8.245 15.305 658 HB3 ASP 88 HB1 ASP 88 65.861 -6.984 15.672 659 H SER 89 HN SER 89 64.918 -4.284 13.457 660 HA SER 89 HA SER 89 67.890 -4.065 13.184 661 HB2 SER 89 HB2 SER 89 67.390 -2.391 11.358 662 HB3 SER 89 HB1 SER 89 66.931 -4.044 10.968 663 HG SER 89 HG SER 89 65.257 -1.933 11.887 Start of MODEL 20 1 H1 MET 1 HT1 MET 1 64.988 -16.502 -5.432 2 H2 MET 1 HT2 MET 1 63.715 -16.883 -6.493 3 H3 MET 1 HT3 MET 1 65.330 -17.005 -7.011 4 HA MET 1 HA MET 1 64.593 -19.218 -6.585 5 HB2 MET 1 HB2 MET 1 66.764 -17.923 -5.459 6 HB3 MET 1 HB1 MET 1 66.069 -18.766 -4.075 7 HG2 MET 1 HG2 MET 1 65.952 -20.782 -5.812 8 HG3 MET 1 HG1 MET 1 67.268 -19.884 -6.575 9 HE1 MET 1 HE1 MET 1 66.467 -22.368 -3.472 10 HE2 MET 1 HE2 MET 1 67.989 -23.050 -4.039 11 HE3 MET 1 HE3 MET 1 66.736 -22.624 -5.202 12 H ASP 2 HN ASP 2 64.355 -17.399 -3.485 13 HA ASP 2 HA ASP 2 62.105 -19.205 -2.684 14 HB2 ASP 2 HB2 ASP 2 64.384 -18.938 -1.439 15 HB3 ASP 2 HB1 ASP 2 63.720 -17.407 -0.878 16 H ASP 3 HN ASP 3 60.332 -18.146 -1.448 17 HA ASP 3 HA ASP 3 59.381 -15.729 -2.758 18 HB2 ASP 3 HB2 ASP 3 58.169 -17.850 -1.732 19 HB3 ASP 3 HB1 ASP 3 58.164 -16.878 -0.261 20 H ILE 4 HN ILE 4 61.473 -16.130 -0.081 21 HA ILE 4 HA ILE 4 60.690 -14.238 1.824 22 HB ILE 4 HB ILE 4 63.158 -13.960 2.190 23 HG12 ILE 4 HG12 ILE 4 63.517 -15.857 -0.133 24 HG13 ILE 4 HG11 ILE 4 63.636 -14.111 -0.344 25 HG21 ILE 4 HG21 ILE 4 62.204 -15.828 3.271 26 HG22 ILE 4 HG22 ILE 4 63.584 -16.495 2.397 27 HG23 ILE 4 HG23 ILE 4 61.957 -16.690 1.752 28 HD11 ILE 4 HD11 ILE 4 65.661 -14.024 0.646 29 HD12 ILE 4 HD12 ILE 4 65.701 -15.774 0.453 30 HD13 ILE 4 HD13 ILE 4 65.143 -15.066 1.972 31 H TYR 5 HN TYR 5 62.107 -13.602 -1.382 32 HA TYR 5 HA TYR 5 62.499 -10.748 -0.933 33 HB2 TYR 5 HB2 TYR 5 62.445 -12.602 -3.324 34 HB3 TYR 5 HB1 TYR 5 62.692 -10.867 -3.510 35 HD1 TYR 5 HD2 TYR 5 64.608 -9.762 -2.229 36 HD2 TYR 5 HD1 TYR 5 64.244 -14.022 -2.676 37 HE1 TYR 5 HE2 TYR 5 67.010 -10.027 -1.680 38 HE2 TYR 5 HE1 TYR 5 66.653 -14.284 -2.126 39 HH TYR 5 HH TYR 5 68.758 -12.753 -2.300 40 H LYS 6 HN LYS 6 59.965 -12.766 -2.414 41 HA LYS 6 HA LYS 6 58.322 -10.532 -3.291 42 HB2 LYS 6 HB2 LYS 6 58.467 -12.989 -4.117 43 HB3 LYS 6 HB1 LYS 6 57.413 -13.364 -2.756 44 HG2 LYS 6 HG2 LYS 6 56.015 -11.314 -3.723 45 HG3 LYS 6 HG1 LYS 6 56.838 -11.756 -5.219 46 HD2 LYS 6 HD2 LYS 6 55.304 -13.381 -5.504 47 HD3 LYS 6 HD1 LYS 6 55.978 -14.192 -4.094 48 HE2 LYS 6 HE2 LYS 6 54.043 -11.941 -3.624 49 HE3 LYS 6 HE1 LYS 6 53.406 -13.516 -4.141 50 HZ1 LYS 6 HZ1 LYS 6 55.398 -13.229 -1.959 51 HZ2 LYS 6 HZ2 LYS 6 54.480 -14.602 -2.363 52 HZ3 LYS 6 HZ3 LYS 6 53.727 -13.243 -1.674 53 H ALA 7 HN ALA 7 58.338 -12.699 -0.447 54 HA ALA 7 HA ALA 7 55.879 -11.871 0.719 55 HB1 ALA 7 HB1 ALA 7 58.462 -12.759 2.051 56 HB2 ALA 7 HB2 ALA 7 57.271 -13.845 1.333 57 HB3 ALA 7 HB3 ALA 7 56.842 -12.873 2.740 58 H ALA 8 HN ALA 8 59.172 -10.481 1.039 59 HA ALA 8 HA ALA 8 58.631 -8.612 3.125 60 HB1 ALA 8 HB1 ALA 8 60.509 -7.364 1.610 61 HB2 ALA 8 HB2 ALA 8 60.599 -8.988 0.921 62 HB3 ALA 8 HB3 ALA 8 60.874 -8.743 2.645 63 H VAL 9 HN VAL 9 58.675 -7.965 -0.418 64 HA VAL 9 HA VAL 9 57.551 -5.335 -0.254 65 HB VAL 9 HB VAL 9 57.654 -7.478 -2.404 66 HG11 VAL 9 HG11 VAL 9 56.898 -4.561 -2.766 67 HG12 VAL 9 HG12 VAL 9 55.729 -5.879 -2.744 68 HG13 VAL 9 HG13 VAL 9 56.948 -5.804 -4.016 69 HG21 VAL 9 HG21 VAL 9 59.831 -6.641 -1.911 70 HG22 VAL 9 HG22 VAL 9 59.246 -4.983 -1.768 71 HG23 VAL 9 HG23 VAL 9 59.310 -5.764 -3.350 72 H GLU 10 HN GLU 10 56.037 -8.549 -0.488 73 HA GLU 10 HA GLU 10 53.339 -7.606 -0.945 74 HB2 GLU 10 HB2 GLU 10 54.160 -9.871 -1.493 75 HB3 GLU 10 HB1 GLU 10 54.424 -10.194 0.219 76 HG2 GLU 10 HG2 GLU 10 52.188 -10.475 0.654 77 HG3 GLU 10 HG1 GLU 10 51.699 -9.261 -0.528 78 H GLN 11 HN GLN 11 55.288 -8.053 1.977 79 HA GLN 11 HA GLN 11 52.873 -7.619 3.687 80 HB2 GLN 11 HB2 GLN 11 55.709 -8.548 4.235 81 HB3 GLN 11 HB1 GLN 11 54.494 -8.316 5.495 82 HG2 GLN 11 HG2 GLN 11 53.000 -9.918 4.272 83 HG3 GLN 11 HG1 GLN 11 54.323 -10.231 3.151 84 HE21 GLN 11 HE21 GLN 11 56.506 -10.829 4.408 85 HE22 GLN 11 HE22 GLN 11 56.313 -11.911 5.697 86 H LEU 12 HN LEU 12 54.998 -5.652 2.142 87 HA LEU 12 HA LEU 12 55.864 -3.934 4.336 88 HB2 LEU 12 HB2 LEU 12 55.967 -4.006 1.353 89 HB3 LEU 12 HB1 LEU 12 56.179 -2.436 2.127 90 HG LEU 12 HG LEU 12 57.737 -4.880 2.995 91 HD11 LEU 12 HD11 LEU 12 59.090 -4.710 1.204 92 HD12 LEU 12 HD12 LEU 12 59.296 -2.978 1.475 93 HD13 LEU 12 HD13 LEU 12 57.948 -3.563 0.502 94 HD21 LEU 12 HD21 LEU 12 57.511 -2.106 3.835 95 HD22 LEU 12 HD22 LEU 12 59.168 -2.483 3.368 96 HD23 LEU 12 HD23 LEU 12 58.363 -3.436 4.614 97 H THR 13 HN THR 13 54.667 -2.325 5.263 98 HA THR 13 HA THR 13 51.943 -1.759 4.244 99 HB THR 13 HB THR 13 51.777 -0.581 6.453 100 HG1 THR 13 HG1 THR 13 53.548 -0.711 7.834 101 HG21 THR 13 HG21 THR 13 51.651 -2.558 7.718 102 HG22 THR 13 HG22 THR 13 53.050 -3.269 6.910 103 HG23 THR 13 HG23 THR 13 51.513 -3.144 6.059 104 H GLU 14 HN GLU 14 51.250 0.625 4.392 105 HA GLU 14 HA GLU 14 52.777 2.206 2.546 106 HB2 GLU 14 HB2 GLU 14 50.336 2.393 4.196 107 HB3 GLU 14 HB1 GLU 14 51.077 3.950 3.821 108 HG2 GLU 14 HG2 GLU 14 50.464 1.826 1.740 109 HG3 GLU 14 HG1 GLU 14 49.391 3.175 2.108 110 H GLU 15 HN GLU 15 52.641 2.167 6.104 111 HA GLU 15 HA GLU 15 53.996 4.612 6.649 112 HB2 GLU 15 HB2 GLU 15 53.452 2.016 7.985 113 HB3 GLU 15 HB1 GLU 15 54.790 2.948 8.653 114 HG2 GLU 15 HG2 GLU 15 51.982 4.004 8.193 115 HG3 GLU 15 HG1 GLU 15 52.652 3.534 9.754 116 H GLN 16 HN GLN 16 55.314 1.334 6.087 117 HA GLN 16 HA GLN 16 58.080 1.977 6.457 118 HB2 GLN 16 HB2 GLN 16 56.692 -0.069 4.683 119 HB3 GLN 16 HB1 GLN 16 58.399 -0.119 5.131 120 HG2 GLN 16 HG2 GLN 16 57.444 0.047 7.587 121 HG3 GLN 16 HG1 GLN 16 55.978 -0.581 6.835 122 HE21 GLN 16 HE21 GLN 16 55.888 -2.821 6.928 123 HE22 GLN 16 HE22 GLN 16 57.228 -3.857 6.867 124 H LYS 17 HN LYS 17 55.976 2.091 3.595 125 HA LYS 17 HA LYS 17 57.983 2.818 1.663 126 HB2 LYS 17 HB2 LYS 17 55.069 2.633 1.937 127 HB3 LYS 17 HB1 LYS 17 55.566 3.939 0.856 128 HG2 LYS 17 HG2 LYS 17 56.883 2.409 -0.487 129 HG3 LYS 17 HG1 LYS 17 56.593 1.094 0.655 130 HD2 LYS 17 HD2 LYS 17 54.926 0.588 -0.825 131 HD3 LYS 17 HD1 LYS 17 54.045 1.772 0.144 132 HE2 LYS 17 HE2 LYS 17 55.067 3.525 -1.542 133 HE3 LYS 17 HE1 LYS 17 55.256 2.109 -2.595 134 HZ1 LYS 17 HZ1 LYS 17 52.756 2.909 -1.198 135 HZ2 LYS 17 HZ2 LYS 17 52.946 1.535 -2.183 136 HZ3 LYS 17 HZ3 LYS 17 53.057 3.088 -2.859 137 H ASN 18 HN ASN 18 56.044 4.726 3.945 138 HA ASN 18 HA ASN 18 56.705 7.306 2.779 139 HB2 ASN 18 HB2 ASN 18 54.964 7.805 4.129 140 HB3 ASN 18 HB1 ASN 18 55.005 6.169 4.771 141 HD21 ASN 18 HD21 ASN 18 55.966 5.848 6.881 142 HD22 ASN 18 HD22 ASN 18 56.428 7.151 7.867 143 H GLU 19 HN GLU 19 57.977 5.440 5.563 144 HA GLU 19 HA GLU 19 59.936 7.452 6.305 145 HB2 GLU 19 HB2 GLU 19 60.751 5.671 7.800 146 HB3 GLU 19 HB1 GLU 19 58.993 5.762 7.854 147 HG2 GLU 19 HG2 GLU 19 58.959 3.915 6.106 148 HG3 GLU 19 HG1 GLU 19 60.692 3.734 6.381 149 H PHE 20 HN PHE 20 59.958 4.718 4.060 150 HA PHE 20 HA PHE 20 62.857 4.632 3.780 151 HB2 PHE 20 HB2 PHE 20 60.458 3.501 2.367 152 HB3 PHE 20 HB1 PHE 20 62.050 3.349 1.624 153 HD1 PHE 20 HD2 PHE 20 63.699 3.109 4.187 154 HD2 PHE 20 HD1 PHE 20 60.032 1.229 2.959 155 HE1 PHE 20 HE2 PHE 20 64.184 1.188 5.668 156 HE2 PHE 20 HE1 PHE 20 60.525 -0.700 4.445 157 HZ PHE 20 HZ PHE 20 62.606 -0.719 5.795 158 H LYS 21 HN LYS 21 60.202 6.182 1.972 159 HA LYS 21 HA LYS 21 62.000 7.271 -0.075 160 HB2 LYS 21 HB2 LYS 21 59.466 6.560 -0.132 161 HB3 LYS 21 HB1 LYS 21 59.190 8.193 0.474 162 HG2 LYS 21 HG2 LYS 21 61.085 8.075 -1.776 163 HG3 LYS 21 HG1 LYS 21 59.462 7.520 -2.185 164 HD2 LYS 21 HD2 LYS 21 58.559 9.628 -1.129 165 HD3 LYS 21 HD1 LYS 21 60.226 10.192 -0.984 166 HE2 LYS 21 HE2 LYS 21 60.237 9.479 -3.600 167 HE3 LYS 21 HE1 LYS 21 58.528 9.925 -3.416 168 HZ1 LYS 21 HZ1 LYS 21 59.487 11.924 -2.117 169 HZ2 LYS 21 HZ2 LYS 21 59.525 11.957 -3.812 170 HZ3 LYS 21 HZ3 LYS 21 60.928 11.570 -2.940 171 H ALA 22 HN ALA 22 60.168 8.605 2.712 172 HA ALA 22 HA ALA 22 60.769 11.343 2.419 173 HB1 ALA 22 HB1 ALA 22 60.550 11.314 4.964 174 HB2 ALA 22 HB2 ALA 22 60.450 9.556 4.847 175 HB3 ALA 22 HB3 ALA 22 59.222 10.565 4.079 176 H ALA 23 HN ALA 23 62.753 8.819 4.025 177 HA ALA 23 HA ALA 23 64.870 10.624 4.827 178 HB1 ALA 23 HB1 ALA 23 65.645 7.846 4.303 179 HB2 ALA 23 HB2 ALA 23 64.133 7.947 5.201 180 HB3 ALA 23 HB3 ALA 23 65.590 8.710 5.840 181 H PHE 24 HN PHE 24 64.337 8.538 1.986 182 HA PHE 24 HA PHE 24 66.864 8.901 0.710 183 HB2 PHE 24 HB2 PHE 24 64.621 7.427 0.307 184 HB3 PHE 24 HB1 PHE 24 64.424 8.640 -0.957 185 HD1 PHE 24 HD2 PHE 24 66.811 6.139 0.436 186 HD2 PHE 24 HD1 PHE 24 65.745 8.581 -2.933 187 HE1 PHE 24 HE2 PHE 24 68.513 4.979 -0.947 188 HE2 PHE 24 HE1 PHE 24 67.446 7.421 -4.313 189 HZ PHE 24 HZ PHE 24 68.832 5.620 -3.320 190 H ASP 25 HN ASP 25 63.960 10.941 0.728 191 HA ASP 25 HA ASP 25 64.505 12.579 -1.526 192 HB2 ASP 25 HB2 ASP 25 63.008 12.785 1.050 193 HB3 ASP 25 HB1 ASP 25 63.253 14.273 0.138 194 H ILE 26 HN ILE 26 65.871 12.676 1.748 195 HA ILE 26 HA ILE 26 67.043 15.275 1.681 196 HB ILE 26 HB ILE 26 67.753 12.666 3.046 197 HG12 ILE 26 HG12 ILE 26 66.915 15.010 4.621 198 HG13 ILE 26 HG11 ILE 26 65.697 14.477 3.458 199 HG21 ILE 26 HG21 ILE 26 69.763 13.563 3.559 200 HG22 ILE 26 HG22 ILE 26 68.877 14.735 4.535 201 HG23 ILE 26 HG23 ILE 26 69.318 15.128 2.876 202 HD11 ILE 26 HD11 ILE 26 67.011 12.287 4.933 203 HD12 ILE 26 HD12 ILE 26 65.304 12.537 4.565 204 HD13 ILE 26 HD13 ILE 26 66.039 13.366 5.936 205 H PHE 27 HN PHE 27 68.330 12.142 0.478 206 HA PHE 27 HA PHE 27 70.742 13.589 -0.519 207 HB2 PHE 27 HB2 PHE 27 70.790 10.790 -1.183 208 HB3 PHE 27 HB1 PHE 27 71.823 11.670 -0.070 209 HD1 PHE 27 HD2 PHE 27 70.766 12.167 2.303 210 HD2 PHE 27 HD1 PHE 27 69.422 9.095 -0.375 211 HE1 PHE 27 HE2 PHE 27 69.744 10.954 4.212 212 HE2 PHE 27 HE1 PHE 27 68.404 7.878 1.531 213 HZ PHE 27 HZ PHE 27 68.562 8.809 3.822 214 H VAL 28 HN VAL 28 67.697 12.823 -1.717 215 HA VAL 28 HA VAL 28 68.669 12.370 -4.493 216 HB VAL 28 HB VAL 28 66.063 12.103 -3.007 217 HG11 VAL 28 HG11 VAL 28 65.137 11.402 -5.325 218 HG12 VAL 28 HG12 VAL 28 66.475 12.340 -5.990 219 HG13 VAL 28 HG13 VAL 28 65.260 13.128 -4.984 220 HG21 VAL 28 HG21 VAL 28 66.281 9.847 -4.319 221 HG22 VAL 28 HG22 VAL 28 67.309 10.123 -2.913 222 HG23 VAL 28 HG23 VAL 28 67.961 10.340 -4.537 223 H GLN 29 HN GLN 29 66.795 14.708 -2.542 224 HA GLN 29 HA GLN 29 65.932 16.494 -4.572 225 HB2 GLN 29 HB2 GLN 29 66.781 16.788 -1.685 226 HB3 GLN 29 HB1 GLN 29 66.203 18.177 -2.609 227 HG2 GLN 29 HG2 GLN 29 64.596 15.627 -2.539 228 HG3 GLN 29 HG1 GLN 29 64.480 16.793 -1.222 229 HE21 GLN 29 HE21 GLN 29 63.084 15.993 -4.168 230 HE22 GLN 29 HE22 GLN 29 62.425 17.504 -4.567 231 H GLY 30 HN GLY 30 69.024 16.488 -2.748 232 HA2 GLY 30 HA2 GLY 30 70.088 18.624 -4.515 233 HA3 GLY 30 HA1 GLY 30 70.870 17.993 -3.066 234 H ALA 31 HN ALA 31 69.592 16.250 -5.919 235 HA ALA 31 HA ALA 31 72.341 15.519 -6.752 236 HB1 ALA 31 HB1 ALA 31 71.478 13.045 -6.623 237 HB2 ALA 31 HB2 ALA 31 70.306 13.698 -5.477 238 HB3 ALA 31 HB3 ALA 31 72.034 13.832 -5.145 239 H GLU 32 HN GLU 32 72.312 15.663 -8.954 240 HA GLU 32 HA GLU 32 69.912 15.909 -10.523 241 HB2 GLU 32 HB2 GLU 32 72.817 15.345 -11.188 242 HB3 GLU 32 HB1 GLU 32 71.592 15.678 -12.415 243 HG2 GLU 32 HG2 GLU 32 71.911 17.582 -10.113 244 HG3 GLU 32 HG1 GLU 32 73.056 17.648 -11.451 245 H ASP 33 HN ASP 33 72.141 13.172 -9.977 246 HA ASP 33 HA ASP 33 70.771 11.376 -11.813 247 HB2 ASP 33 HB2 ASP 33 72.966 11.288 -9.781 248 HB3 ASP 33 HB1 ASP 33 72.263 9.753 -10.296 249 H GLY 34 HN GLY 34 70.477 12.138 -8.371 250 HA2 GLY 34 HA2 GLY 34 68.668 11.628 -6.934 251 HA3 GLY 34 HA1 GLY 34 67.945 10.677 -8.230 252 H SER 35 HN SER 35 71.258 9.992 -7.462 253 HA SER 35 HA SER 35 70.421 7.558 -5.917 254 HB2 SER 35 HB2 SER 35 72.276 6.421 -7.161 255 HB3 SER 35 HB1 SER 35 71.004 7.008 -8.229 256 HG SER 35 HG SER 35 72.572 8.028 -9.187 257 H ILE 36 HN ILE 36 72.473 6.622 -4.745 258 HA ILE 36 HA ILE 36 74.121 8.895 -3.664 259 HB ILE 36 HB ILE 36 73.014 6.426 -2.280 260 HG12 ILE 36 HG12 ILE 36 72.281 9.082 -1.266 261 HG13 ILE 36 HG11 ILE 36 71.719 8.804 -2.914 262 HG21 ILE 36 HG21 ILE 36 74.018 7.246 -0.271 263 HG22 ILE 36 HG22 ILE 36 74.419 8.793 -1.017 264 HG23 ILE 36 HG23 ILE 36 75.281 7.334 -1.500 265 HD11 ILE 36 HD11 ILE 36 71.078 6.419 -1.814 266 HD12 ILE 36 HD12 ILE 36 69.972 7.792 -1.838 267 HD13 ILE 36 HD13 ILE 36 70.926 7.453 -0.392 268 H SER 37 HN SER 37 76.333 8.455 -3.329 269 HA SER 37 HA SER 37 77.436 6.166 -4.825 270 HB2 SER 37 HB2 SER 37 78.191 8.726 -4.507 271 HB3 SER 37 HB1 SER 37 79.106 8.019 -3.179 272 HG SER 37 HG SER 37 79.776 8.037 -5.688 273 H THR 38 HN THR 38 79.330 4.949 -3.683 274 HA THR 38 HA THR 38 78.313 3.540 -1.396 275 HB THR 38 HB THR 38 80.552 2.476 -1.434 276 HG1 THR 38 HG1 THR 38 82.116 3.708 -2.051 277 HG21 THR 38 HG21 THR 38 78.725 2.712 -3.663 278 HG22 THR 38 HG22 THR 38 79.634 1.305 -3.113 279 HG23 THR 38 HG23 THR 38 80.368 2.437 -4.245 280 H LYS 39 HN LYS 39 80.412 6.375 -1.652 281 HA LYS 39 HA LYS 39 81.397 6.260 1.099 282 HB2 LYS 39 HB2 LYS 39 82.014 7.589 -1.271 283 HB3 LYS 39 HB1 LYS 39 81.398 8.872 -0.228 284 HG2 LYS 39 HG2 LYS 39 83.478 6.880 0.703 285 HG3 LYS 39 HG1 LYS 39 83.901 8.417 -0.048 286 HD2 LYS 39 HD2 LYS 39 83.659 9.423 1.948 287 HD3 LYS 39 HD1 LYS 39 81.944 9.009 1.912 288 HE2 LYS 39 HE2 LYS 39 82.202 7.271 3.389 289 HE3 LYS 39 HE1 LYS 39 83.782 6.811 2.727 290 HZ1 LYS 39 HZ1 LYS 39 84.793 8.697 3.762 291 HZ2 LYS 39 HZ2 LYS 39 83.913 7.876 4.957 292 HZ3 LYS 39 HZ3 LYS 39 83.295 9.305 4.271 293 H GLU 40 HN GLU 40 78.574 7.726 -0.471 294 HA GLU 40 HA GLU 40 77.947 9.323 1.958 295 HB2 GLU 40 HB2 GLU 40 76.614 9.014 -0.754 296 HB3 GLU 40 HB1 GLU 40 76.088 10.141 0.490 297 HG2 GLU 40 HG2 GLU 40 77.536 11.628 -0.396 298 HG3 GLU 40 HG1 GLU 40 78.835 10.622 0.243 299 H LEU 41 HN LEU 41 76.819 6.424 0.248 300 HA LEU 41 HA LEU 41 74.296 6.125 1.535 301 HB2 LEU 41 HB2 LEU 41 75.477 4.924 -0.481 302 HB3 LEU 41 HB1 LEU 41 75.993 3.786 0.762 303 HG LEU 41 HG LEU 41 73.228 4.384 1.190 304 HD11 LEU 41 HD11 LEU 41 72.589 3.129 -1.076 305 HD12 LEU 41 HD12 LEU 41 74.025 3.970 -1.659 306 HD13 LEU 41 HD13 LEU 41 72.677 4.890 -0.987 307 HD21 LEU 41 HD21 LEU 41 73.012 2.027 1.169 308 HD22 LEU 41 HD22 LEU 41 74.663 2.311 1.727 309 HD23 LEU 41 HD23 LEU 41 74.365 1.826 0.058 310 H GLY 42 HN GLY 42 77.544 5.510 2.744 311 HA2 GLY 42 HA2 GLY 42 76.978 3.598 4.770 312 HA3 GLY 42 HA1 GLY 42 78.264 4.801 4.867 313 H LYS 43 HN LYS 43 76.787 7.168 4.834 314 HA LYS 43 HA LYS 43 75.861 7.380 7.561 315 HB2 LYS 43 HB2 LYS 43 76.861 9.234 6.305 316 HB3 LYS 43 HB1 LYS 43 75.554 9.167 5.122 317 HG2 LYS 43 HG2 LYS 43 74.477 9.386 7.803 318 HG3 LYS 43 HG1 LYS 43 75.620 10.694 7.487 319 HD2 LYS 43 HD2 LYS 43 74.406 11.020 5.257 320 HD3 LYS 43 HD1 LYS 43 73.151 9.967 5.908 321 HE2 LYS 43 HE2 LYS 43 72.778 11.490 7.782 322 HE3 LYS 43 HE1 LYS 43 74.119 12.519 7.246 323 HZ1 LYS 43 HZ1 LYS 43 71.698 11.859 5.648 324 HZ2 LYS 43 HZ2 LYS 43 72.993 12.823 5.123 325 HZ3 LYS 43 HZ3 LYS 43 72.004 13.351 6.399 326 H VAL 44 HN VAL 44 74.178 7.171 4.404 327 HA VAL 44 HA VAL 44 71.488 7.501 5.247 328 HB VAL 44 HB VAL 44 72.813 5.804 3.107 329 HG11 VAL 44 HG11 VAL 44 69.917 6.120 3.828 330 HG12 VAL 44 HG12 VAL 44 70.770 4.696 3.225 331 HG13 VAL 44 HG13 VAL 44 70.354 6.011 2.123 332 HG21 VAL 44 HG21 VAL 44 71.382 8.477 3.116 333 HG22 VAL 44 HG22 VAL 44 71.845 7.627 1.645 334 HG23 VAL 44 HG23 VAL 44 73.086 8.181 2.771 335 H MET 45 HN MET 45 73.430 4.496 5.035 336 HA MET 45 HA MET 45 71.408 2.745 6.082 337 HB2 MET 45 HB2 MET 45 74.443 2.573 6.106 338 HB3 MET 45 HB1 MET 45 73.351 1.220 6.377 339 HG2 MET 45 HG2 MET 45 72.557 2.538 3.967 340 HG3 MET 45 HG1 MET 45 74.291 2.214 3.884 341 HE1 MET 45 HE1 MET 45 70.917 1.319 4.277 342 HE2 MET 45 HE2 MET 45 71.045 -0.061 5.366 343 HE3 MET 45 HE3 MET 45 70.718 -0.325 3.654 344 H ARG 46 HN ARG 46 74.154 4.423 7.670 345 HA ARG 46 HA ARG 46 73.779 3.450 10.314 346 HB2 ARG 46 HB2 ARG 46 74.925 5.889 9.013 347 HB3 ARG 46 HB1 ARG 46 74.738 5.896 10.765 348 HG2 ARG 46 HG2 ARG 46 75.838 3.456 10.461 349 HG3 ARG 46 HG1 ARG 46 76.544 4.257 9.059 350 HD2 ARG 46 HD2 ARG 46 78.071 4.623 10.888 351 HD3 ARG 46 HD1 ARG 46 77.205 6.157 10.666 352 HE ARG 46 HE ARG 46 76.056 5.754 12.712 353 HH11 ARG 46 HH21 ARG 46 78.677 4.004 13.034 354 HH12 ARG 46 HH22 ARG 46 77.988 2.617 13.810 355 HH21 ARG 46 HH11 ARG 46 74.717 3.527 13.096 356 HH22 ARG 46 HH12 ARG 46 75.739 2.352 13.852 357 H MET 47 HN MET 47 72.081 6.001 8.561 358 HA MET 47 HA MET 47 70.647 7.063 10.872 359 HB2 MET 47 HB2 MET 47 71.293 8.223 8.702 360 HB3 MET 47 HB1 MET 47 70.038 7.275 7.910 361 HG2 MET 47 HG2 MET 47 68.308 8.353 9.088 362 HG3 MET 47 HG1 MET 47 69.400 8.924 10.349 363 HE1 MET 47 HE1 MET 47 68.727 8.664 6.822 364 HE2 MET 47 HE2 MET 47 69.478 10.028 5.997 365 HE3 MET 47 HE3 MET 47 67.858 10.197 6.668 366 H LEU 48 HN LEU 48 70.072 4.525 8.472 367 HA LEU 48 HA LEU 48 67.237 4.219 9.311 368 HB2 LEU 48 HB2 LEU 48 69.014 3.377 7.086 369 HB3 LEU 48 HB1 LEU 48 67.711 2.264 7.494 370 HG LEU 48 HG LEU 48 66.457 4.747 7.539 371 HD11 LEU 48 HD11 LEU 48 68.564 5.656 6.476 372 HD12 LEU 48 HD12 LEU 48 67.104 5.894 5.518 373 HD13 LEU 48 HD13 LEU 48 68.243 4.615 5.090 374 HD21 LEU 48 HD21 LEU 48 65.253 3.912 5.661 375 HD22 LEU 48 HD22 LEU 48 65.771 2.476 6.540 376 HD23 LEU 48 HD23 LEU 48 66.633 2.979 5.087 377 H GLY 49 HN GLY 49 69.682 3.468 11.063 378 HA2 GLY 49 HA2 GLY 49 69.928 1.836 12.747 379 HA3 GLY 49 HA1 GLY 49 68.558 0.971 12.059 380 H GLN 50 HN GLN 50 71.515 1.871 10.269 381 HA GLN 50 HA GLN 50 72.142 -1.068 10.078 382 HB2 GLN 50 HB2 GLN 50 72.837 0.917 7.928 383 HB3 GLN 50 HB1 GLN 50 72.573 -0.812 7.781 384 HG2 GLN 50 HG2 GLN 50 70.303 1.002 8.579 385 HG3 GLN 50 HG1 GLN 50 70.754 0.833 6.885 386 HE21 GLN 50 HE21 GLN 50 68.560 -0.364 9.004 387 HE22 GLN 50 HE22 GLN 50 68.393 -1.944 8.418 388 H ASN 51 HN ASN 51 74.540 -1.435 9.536 389 HA ASN 51 HA ASN 51 76.306 0.795 10.413 390 HB2 ASN 51 HB2 ASN 51 75.340 -0.861 12.257 391 HB3 ASN 51 HB1 ASN 51 76.633 -1.907 11.673 392 HD21 ASN 51 HD21 ASN 51 78.884 -0.852 11.648 393 HD22 ASN 51 HD22 ASN 51 79.239 0.274 12.868 394 HA PRO 52 HA PRO 52 78.196 -2.219 7.304 395 HB2 PRO 52 HB2 PRO 52 77.654 -0.971 4.943 396 HB3 PRO 52 HB1 PRO 52 76.562 -2.170 5.661 397 HG2 PRO 52 HG2 PRO 52 76.329 0.785 5.589 398 HG3 PRO 52 HG1 PRO 52 75.067 -0.453 5.562 399 HD2 PRO 52 HD2 PRO 52 75.805 1.057 7.765 400 HD3 PRO 52 HD1 PRO 52 74.877 -0.455 7.801 401 H THR 53 HN THR 53 80.384 -1.774 6.792 402 HA THR 53 HA THR 53 81.390 0.961 7.203 403 HB THR 53 HB THR 53 83.591 -0.254 6.745 404 HG1 THR 53 HG1 THR 53 83.491 -2.448 6.495 405 HG21 THR 53 HG21 THR 53 83.360 -0.236 9.004 406 HG22 THR 53 HG22 THR 53 82.962 -1.943 8.802 407 HG23 THR 53 HG23 THR 53 81.674 -0.745 8.932 408 HA PRO 54 HA PRO 54 81.605 2.221 3.015 409 HB2 PRO 54 HB2 PRO 54 84.119 3.312 2.820 410 HB3 PRO 54 HB1 PRO 54 82.755 4.104 3.643 411 HG2 PRO 54 HG2 PRO 54 85.007 2.523 4.802 412 HG3 PRO 54 HG1 PRO 54 84.268 4.024 5.385 413 HD2 PRO 54 HD2 PRO 54 83.696 1.623 6.475 414 HD3 PRO 54 HD1 PRO 54 82.489 2.925 6.364 415 H GLU 55 HN GLU 55 84.371 0.234 4.074 416 HA GLU 55 HA GLU 55 85.219 -0.449 1.367 417 HB2 GLU 55 HB2 GLU 55 86.654 -2.082 2.596 418 HB3 GLU 55 HB1 GLU 55 86.745 -0.466 3.288 419 HG2 GLU 55 HG2 GLU 55 84.582 -1.944 4.521 420 HG3 GLU 55 HG1 GLU 55 86.082 -2.860 4.634 421 H GLU 56 HN GLU 56 82.918 -1.845 3.657 422 HA GLU 56 HA GLU 56 82.604 -4.263 1.949 423 HB2 GLU 56 HB2 GLU 56 81.792 -3.382 4.711 424 HB3 GLU 56 HB1 GLU 56 81.005 -4.770 3.962 425 HG2 GLU 56 HG2 GLU 56 82.981 -6.024 3.888 426 HG3 GLU 56 HG1 GLU 56 84.010 -4.595 3.963 427 H LEU 57 HN LEU 57 80.934 -1.294 2.833 428 HA LEU 57 HA LEU 57 78.291 -1.930 1.965 429 HB2 LEU 57 HB2 LEU 57 78.986 0.051 3.280 430 HB3 LEU 57 HB1 LEU 57 79.842 0.678 1.873 431 HG LEU 57 HG LEU 57 77.613 0.556 0.626 432 HD11 LEU 57 HD11 LEU 57 76.041 -0.645 1.769 433 HD12 LEU 57 HD12 LEU 57 75.776 0.868 2.637 434 HD13 LEU 57 HD13 LEU 57 76.826 -0.368 3.325 435 HD21 LEU 57 HD21 LEU 57 77.606 2.769 1.042 436 HD22 LEU 57 HD22 LEU 57 78.697 2.491 2.399 437 HD23 LEU 57 HD23 LEU 57 76.951 2.488 2.655 438 H GLN 58 HN GLN 58 81.209 -1.019 0.162 439 HA GLN 58 HA GLN 58 80.129 -0.250 -2.334 440 HB2 GLN 58 HB2 GLN 58 82.584 -0.611 -1.307 441 HB3 GLN 58 HB1 GLN 58 82.469 -2.113 -2.224 442 HG2 GLN 58 HG2 GLN 58 81.506 -0.133 -3.969 443 HG3 GLN 58 HG1 GLN 58 82.912 0.589 -3.191 444 HE21 GLN 58 HE21 GLN 58 81.880 -1.815 -5.491 445 HE22 GLN 58 HE22 GLN 58 83.428 -2.393 -5.882 446 H GLU 59 HN GLU 59 80.863 -3.562 -1.151 447 HA GLU 59 HA GLU 59 79.950 -4.969 -3.477 448 HB2 GLU 59 HB2 GLU 59 81.327 -6.047 -1.810 449 HB3 GLU 59 HB1 GLU 59 80.176 -5.665 -0.530 450 HG2 GLU 59 HG2 GLU 59 78.641 -7.283 -1.245 451 HG3 GLU 59 HG1 GLU 59 79.298 -7.328 -2.879 452 H MET 60 HN MET 60 78.278 -4.056 -0.442 453 HA MET 60 HA MET 60 75.730 -5.214 -0.996 454 HB2 MET 60 HB2 MET 60 76.932 -3.159 0.760 455 HB3 MET 60 HB1 MET 60 75.195 -2.980 0.492 456 HG2 MET 60 HG2 MET 60 75.172 -5.584 0.926 457 HG3 MET 60 HG1 MET 60 76.691 -5.249 1.759 458 HE1 MET 60 HE1 MET 60 72.525 -3.645 2.534 459 HE2 MET 60 HE2 MET 60 73.324 -4.033 1.010 460 HE3 MET 60 HE3 MET 60 73.615 -2.470 1.770 461 H ILE 61 HN ILE 61 76.922 -1.891 -1.661 462 HA ILE 61 HA ILE 61 74.517 -1.030 -3.009 463 HB ILE 61 HB ILE 61 77.343 -0.084 -2.657 464 HG12 ILE 61 HG12 ILE 61 74.640 1.238 -2.236 465 HG13 ILE 61 HG11 ILE 61 75.501 0.327 -0.995 466 HG21 ILE 61 HG21 ILE 61 75.426 0.820 -4.795 467 HG22 ILE 61 HG22 ILE 61 77.173 0.601 -4.894 468 HG23 ILE 61 HG23 ILE 61 76.505 1.992 -4.040 469 HD11 ILE 61 HD11 ILE 61 77.263 1.909 -0.900 470 HD12 ILE 61 HD12 ILE 61 75.796 2.889 -0.993 471 HD13 ILE 61 HD13 ILE 61 76.789 2.652 -2.429 472 H ASP 62 HN ASP 62 77.702 -2.157 -4.305 473 HA ASP 62 HA ASP 62 77.005 -1.962 -7.076 474 HB2 ASP 62 HB2 ASP 62 79.042 -3.370 -5.402 475 HB3 ASP 62 HB1 ASP 62 78.848 -3.921 -7.064 476 H GLU 63 HN GLU 63 76.624 -4.702 -4.773 477 HA GLU 63 HA GLU 63 75.759 -6.669 -6.658 478 HB2 GLU 63 HB2 GLU 63 76.383 -6.840 -4.148 479 HB3 GLU 63 HB1 GLU 63 74.711 -6.379 -3.836 480 HG2 GLU 63 HG2 GLU 63 74.833 -8.802 -3.832 481 HG3 GLU 63 HG1 GLU 63 73.983 -8.306 -5.298 482 H VAL 64 HN VAL 64 73.907 -4.241 -4.813 483 HA VAL 64 HA VAL 64 71.309 -5.071 -5.855 484 HB VAL 64 HB VAL 64 72.287 -2.536 -4.481 485 HG11 VAL 64 HG11 VAL 64 70.172 -1.756 -4.563 486 HG12 VAL 64 HG12 VAL 64 69.520 -3.303 -4.031 487 HG13 VAL 64 HG13 VAL 64 69.830 -3.024 -5.743 488 HG21 VAL 64 HG21 VAL 64 72.399 -4.979 -3.391 489 HG22 VAL 64 HG22 VAL 64 70.687 -4.664 -3.115 490 HG23 VAL 64 HG23 VAL 64 71.902 -3.576 -2.445 491 H ASP 65 HN ASP 65 73.783 -2.713 -6.753 492 HA ASP 65 HA ASP 65 72.292 -1.113 -8.579 493 HB2 ASP 65 HB2 ASP 65 74.611 -0.799 -7.521 494 HB3 ASP 65 HB1 ASP 65 75.219 -1.868 -8.781 495 H GLU 66 HN GLU 66 71.024 -2.298 -10.045 496 HA GLU 66 HA GLU 66 72.228 -4.478 -11.650 497 HB2 GLU 66 HB2 GLU 66 69.566 -3.435 -10.919 498 HB3 GLU 66 HB1 GLU 66 69.671 -4.047 -12.568 499 HG2 GLU 66 HG2 GLU 66 70.968 -5.745 -10.519 500 HG3 GLU 66 HG1 GLU 66 69.213 -5.623 -10.390 501 H ASP 67 HN ASP 67 71.245 -1.105 -12.039 502 HA ASP 67 HA ASP 67 71.285 -1.061 -14.936 503 HB2 ASP 67 HB2 ASP 67 71.124 1.367 -14.571 504 HB3 ASP 67 HB1 ASP 67 70.045 0.508 -13.479 505 H GLY 68 HN GLY 68 73.807 -0.888 -12.522 506 HA2 GLY 68 HA2 GLY 68 76.137 -1.035 -12.921 507 HA3 GLY 68 HA1 GLY 68 75.837 -0.794 -14.639 508 H SER 69 HN SER 69 75.014 1.225 -11.799 509 HA SER 69 HA SER 69 76.414 3.504 -13.158 510 HB2 SER 69 HB2 SER 69 74.762 4.909 -12.156 511 HB3 SER 69 HB1 SER 69 73.886 3.501 -12.736 512 HG SER 69 HG SER 69 74.413 4.361 -10.151 513 H GLY 70 HN GLY 70 76.428 1.494 -10.310 514 HA2 GLY 70 HA2 GLY 70 78.082 1.440 -8.614 515 HA3 GLY 70 HA1 GLY 70 78.802 2.890 -9.308 516 H THR 71 HN THR 71 75.407 3.112 -8.740 517 HA THR 71 HA THR 71 75.797 4.356 -6.050 518 HB THR 71 HB THR 71 74.477 6.330 -6.923 519 HG1 THR 71 HG1 THR 71 74.102 6.476 -9.064 520 HG21 THR 71 HG21 THR 71 76.369 7.405 -7.909 521 HG22 THR 71 HG22 THR 71 77.006 5.879 -8.521 522 HG23 THR 71 HG23 THR 71 77.026 6.215 -6.788 523 H VAL 72 HN VAL 72 74.092 3.781 -4.702 524 HA VAL 72 HA VAL 72 71.905 2.156 -5.790 525 HB VAL 72 HB VAL 72 72.961 2.982 -3.115 526 HG11 VAL 72 HG11 VAL 72 70.774 1.556 -2.351 527 HG12 VAL 72 HG12 VAL 72 70.097 2.450 -3.707 528 HG13 VAL 72 HG13 VAL 72 70.822 3.322 -2.356 529 HG21 VAL 72 HG21 VAL 72 72.003 0.358 -4.298 530 HG22 VAL 72 HG22 VAL 72 72.820 0.546 -2.749 531 HG23 VAL 72 HG23 VAL 72 73.681 0.904 -4.247 532 H ASP 73 HN ASP 73 69.892 2.898 -6.322 533 HA ASP 73 HA ASP 73 69.207 5.727 -5.618 534 HB2 ASP 73 HB2 ASP 73 67.539 4.630 -7.703 535 HB3 ASP 73 HB1 ASP 73 68.674 5.971 -7.801 536 H PHE 74 HN PHE 74 66.479 5.732 -5.970 537 HA PHE 74 HA PHE 74 65.458 4.714 -3.538 538 HB2 PHE 74 HB2 PHE 74 64.499 6.503 -5.044 539 HB3 PHE 74 HB1 PHE 74 63.904 5.217 -6.096 540 HD1 PHE 74 HD1 PHE 74 63.956 5.927 -2.397 541 HD2 PHE 74 HD2 PHE 74 61.676 4.646 -5.802 542 HE1 PHE 74 HE1 PHE 74 61.966 5.630 -0.952 543 HE2 PHE 74 HE2 PHE 74 59.680 4.349 -4.353 544 HZ PHE 74 HZ PHE 74 59.827 4.842 -1.930 545 H ASP 75 HN ASP 75 64.890 3.340 -6.815 546 HA ASP 75 HA ASP 75 63.445 1.037 -5.954 547 HB2 ASP 75 HB2 ASP 75 63.906 0.242 -8.222 548 HB3 ASP 75 HB1 ASP 75 63.588 1.973 -8.268 549 H GLU 76 HN GLU 76 66.944 1.509 -6.448 550 HA GLU 76 HA GLU 76 67.693 -1.241 -5.946 551 HB2 GLU 76 HB2 GLU 76 68.867 1.358 -6.512 552 HB3 GLU 76 HB1 GLU 76 69.816 0.508 -5.290 553 HG2 GLU 76 HG2 GLU 76 70.313 -1.268 -6.728 554 HG3 GLU 76 HG1 GLU 76 68.910 -0.963 -7.749 555 H PHE 77 HN PHE 77 67.465 1.664 -3.875 556 HA PHE 77 HA PHE 77 68.548 0.514 -1.477 557 HB2 PHE 77 HB2 PHE 77 68.116 2.940 -2.062 558 HB3 PHE 77 HB1 PHE 77 66.405 2.639 -1.783 559 HD1 PHE 77 HD1 PHE 77 69.622 1.775 -0.022 560 HD2 PHE 77 HD2 PHE 77 65.641 3.374 0.287 561 HE1 PHE 77 HE1 PHE 77 69.958 2.147 2.405 562 HE2 PHE 77 HE2 PHE 77 65.979 3.740 2.712 563 HZ PHE 77 HZ PHE 77 68.138 3.133 3.772 564 H LEU 78 HN LEU 78 65.248 0.550 -2.829 565 HA LEU 78 HA LEU 78 63.905 -0.511 -0.519 566 HB2 LEU 78 HB2 LEU 78 63.370 0.193 -3.255 567 HB3 LEU 78 HB1 LEU 78 62.660 -1.390 -2.931 568 HG LEU 78 HG LEU 78 62.304 0.941 -1.044 569 HD11 LEU 78 HD11 LEU 78 60.377 1.627 -2.175 570 HD12 LEU 78 HD12 LEU 78 60.218 0.098 -3.038 571 HD13 LEU 78 HD13 LEU 78 61.466 1.253 -3.507 572 HD21 LEU 78 HD21 LEU 78 61.413 -1.855 -1.221 573 HD22 LEU 78 HD22 LEU 78 60.088 -0.718 -0.961 574 HD23 LEU 78 HD23 LEU 78 61.439 -0.769 0.168 575 H VAL 79 HN VAL 79 65.212 -2.135 -3.444 576 HA VAL 79 HA VAL 79 64.614 -4.811 -2.510 577 HB VAL 79 HB VAL 79 64.986 -3.909 -4.889 578 HG11 VAL 79 HG11 VAL 79 67.548 -4.421 -5.474 579 HG12 VAL 79 HG12 VAL 79 67.768 -3.857 -3.820 580 HG13 VAL 79 HG13 VAL 79 66.996 -2.813 -5.011 581 HG21 VAL 79 HG21 VAL 79 65.097 -6.416 -3.892 582 HG22 VAL 79 HG22 VAL 79 66.720 -6.303 -4.571 583 HG23 VAL 79 HG23 VAL 79 65.313 -6.058 -5.606 584 H MET 80 HN MET 80 67.112 -2.558 -1.728 585 HA MET 80 HA MET 80 69.080 -4.583 -0.870 586 HB2 MET 80 HB2 MET 80 69.766 -2.446 -1.871 587 HB3 MET 80 HB1 MET 80 68.894 -1.559 -0.620 588 HG2 MET 80 HG2 MET 80 70.818 -3.535 0.421 589 HG3 MET 80 HG1 MET 80 71.552 -2.208 -0.484 590 HE1 MET 80 HE1 MET 80 72.726 -0.734 1.370 591 HE2 MET 80 HE2 MET 80 71.655 0.629 1.685 592 HE3 MET 80 HE3 MET 80 71.769 -0.036 0.056 593 H MET 81 HN MET 81 66.891 -2.184 0.668 594 HA MET 81 HA MET 81 67.603 -2.677 3.361 595 HB2 MET 81 HB2 MET 81 66.069 -0.917 2.085 596 HB3 MET 81 HB1 MET 81 64.789 -2.032 2.565 597 HG2 MET 81 HG2 MET 81 64.838 -1.173 4.634 598 HG3 MET 81 HG1 MET 81 66.504 -1.719 4.797 599 HE1 MET 81 HE1 MET 81 68.516 1.247 5.080 600 HE2 MET 81 HE2 MET 81 68.506 -0.452 4.616 601 HE3 MET 81 HE3 MET 81 67.714 0.048 6.108 602 H VAL 82 HN VAL 82 65.015 -4.217 1.380 603 HA VAL 82 HA VAL 82 63.829 -5.821 3.376 604 HB VAL 82 HB VAL 82 63.197 -7.298 1.469 605 HG11 VAL 82 HG11 VAL 82 61.672 -5.733 0.943 606 HG12 VAL 82 HG12 VAL 82 62.879 -4.772 0.091 607 HG13 VAL 82 HG13 VAL 82 62.646 -4.560 1.827 608 HG21 VAL 82 HG21 VAL 82 65.191 -5.578 -0.050 609 HG22 VAL 82 HG22 VAL 82 64.025 -6.659 -0.812 610 HG23 VAL 82 HG23 VAL 82 65.293 -7.318 0.217 611 H ARG 83 HN ARG 83 66.837 -6.419 1.566 612 HA ARG 83 HA ARG 83 67.227 -9.114 2.600 613 HB2 ARG 83 HB2 ARG 83 68.929 -7.050 1.188 614 HB3 ARG 83 HB1 ARG 83 69.580 -8.617 1.672 615 HG2 ARG 83 HG2 ARG 83 67.865 -9.767 0.343 616 HG3 ARG 83 HG1 ARG 83 67.158 -8.216 -0.109 617 HD2 ARG 83 HD2 ARG 83 68.537 -8.501 -1.949 618 HD3 ARG 83 HD1 ARG 83 69.723 -7.761 -0.857 619 HE ARG 83 HE ARG 83 69.394 -10.739 -1.005 620 HH11 ARG 83 HH11 ARG 83 71.259 -9.712 1.020 621 HH12 ARG 83 HH12 ARG 83 72.777 -9.719 0.198 622 HH21 ARG 83 HH21 ARG 83 71.358 -9.903 -2.962 623 HH22 ARG 83 HH22 ARG 83 72.837 -9.827 -2.063 624 H SER 84 HN SER 84 68.234 -5.867 3.604 625 HA SER 84 HA SER 84 70.025 -6.904 5.714 626 HB2 SER 84 HB2 SER 84 69.104 -4.085 5.044 627 HB3 SER 84 HB1 SER 84 70.479 -4.517 6.053 628 HG SER 84 HG SER 84 70.372 -4.238 3.402 629 H MET 85 HN MET 85 66.686 -6.010 5.379 630 HA MET 85 HA MET 85 66.255 -5.293 8.193 631 HB2 MET 85 HB2 MET 85 64.649 -5.677 5.683 632 HB3 MET 85 HB1 MET 85 63.795 -5.681 7.223 633 HG2 MET 85 HG2 MET 85 65.734 -3.498 7.032 634 HG3 MET 85 HG1 MET 85 64.507 -3.423 5.771 635 HE1 MET 85 HE1 MET 85 62.201 -3.099 5.963 636 HE2 MET 85 HE2 MET 85 61.215 -2.912 7.412 637 HE3 MET 85 HE3 MET 85 61.803 -4.509 6.953 638 H LYS 86 HN LYS 86 64.837 -7.915 6.195 639 HA LYS 86 HA LYS 86 64.189 -10.113 6.766 640 HB2 LYS 86 HB2 LYS 86 66.616 -9.741 8.562 641 HB3 LYS 86 HB1 LYS 86 65.929 -11.296 8.082 642 HG2 LYS 86 HG2 LYS 86 66.360 -10.742 5.708 643 HG3 LYS 86 HG1 LYS 86 67.074 -9.208 6.204 644 HD2 LYS 86 HD2 LYS 86 69.037 -10.190 6.700 645 HD3 LYS 86 HD1 LYS 86 68.242 -11.427 7.670 646 HE2 LYS 86 HE2 LYS 86 67.601 -12.045 4.982 647 HE3 LYS 86 HE1 LYS 86 69.335 -11.665 5.001 648 HZ1 LYS 86 HZ1 LYS 86 67.962 -13.480 6.917 649 HZ2 LYS 86 HZ2 LYS 86 69.624 -13.129 6.887 650 HZ3 LYS 86 HZ3 LYS 86 68.914 -13.989 5.606 651 H ASP 87 HN ASP 87 62.486 -8.427 8.021 652 HA ASP 87 HA ASP 87 62.561 -8.897 10.944 653 HB2 ASP 87 HB2 ASP 87 60.705 -7.287 10.953 654 HB3 ASP 87 HB1 ASP 87 62.032 -6.677 9.969 655 H ASP 88 HN ASP 88 60.587 -9.896 8.134 656 HA ASP 88 HA ASP 88 59.593 -12.201 9.665 657 HB2 ASP 88 HB2 ASP 88 57.449 -11.467 10.042 658 HB3 ASP 88 HB1 ASP 88 58.229 -9.891 9.996 659 H SER 89 HN SER 89 58.005 -13.501 8.212 660 HA SER 89 HA SER 89 58.298 -13.038 5.304 661 HB2 SER 89 HB2 SER 89 59.257 -15.473 5.202 662 HB3 SER 89 HB1 SER 89 60.346 -14.157 5.633 663 HG SER 89 HG SER 89 58.967 -15.894 7.420
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