NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
618284 | 5nca | 34112 | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 HA THR 40 HA THR 40 -37.568 17.940 -4.411 2 HB THR 40 HB THR 40 -35.462 19.223 -4.575 3 HG1 THR 40 HG1 THR 40 -35.494 18.375 -7.018 4 HG21 THR 40 HG21 THR 40 -34.799 16.286 -4.780 5 HG22 THR 40 HG22 THR 40 -35.659 16.950 -3.390 6 HG23 THR 40 HG23 THR 40 -34.030 17.511 -3.771 7 H LYS 41 HN LYS 41 -37.500 17.898 -7.845 8 HA LYS 41 HA LYS 41 -38.613 20.639 -7.928 9 HB2 LYS 41 HB2 LYS 41 -36.929 19.198 -9.989 10 HB3 LYS 41 HB1 LYS 41 -37.755 20.730 -10.275 11 HG2 LYS 41 HG2 LYS 41 -36.505 21.757 -8.411 12 HG3 LYS 41 HG1 LYS 41 -35.674 20.227 -8.128 13 HD2 LYS 41 HD2 LYS 41 -34.706 20.310 -10.384 14 HD3 LYS 41 HD1 LYS 41 -35.565 21.816 -10.708 15 HE2 LYS 41 HE2 LYS 41 -33.250 22.298 -10.060 16 HE3 LYS 41 HE1 LYS 41 -34.357 22.887 -8.819 17 HZ1 LYS 41 HZ1 LYS 41 -33.720 21.294 -7.357 18 HZ2 LYS 41 HZ2 LYS 41 -32.270 21.418 -8.233 19 HZ3 LYS 41 HZ3 LYS 41 -33.358 20.154 -8.559 20 H GLN 42 HN GLN 42 -39.216 17.381 -8.273 21 HA GLN 42 HA GLN 42 -41.610 17.913 -9.924 22 HB2 GLN 42 HB2 GLN 42 -39.730 15.549 -10.072 23 HB3 GLN 42 HB1 GLN 42 -41.326 15.578 -10.821 24 HG2 GLN 42 HG2 GLN 42 -40.715 17.454 -12.214 25 HG3 GLN 42 HG1 GLN 42 -39.184 17.649 -11.361 26 HE21 GLN 42 HE21 GLN 42 -39.612 17.055 -14.272 27 HE22 GLN 42 HE22 GLN 42 -38.795 15.594 -14.559 28 H LYS 43 HN LYS 43 -43.421 16.581 -9.476 29 HA LYS 43 HA LYS 43 -43.340 15.293 -6.808 30 HB2 LYS 43 HB2 LYS 43 -45.583 16.839 -8.126 31 HB3 LYS 43 HB1 LYS 43 -45.744 15.935 -6.619 32 HG2 LYS 43 HG2 LYS 43 -43.963 17.309 -5.602 33 HG3 LYS 43 HG1 LYS 43 -43.808 18.219 -7.104 34 HD2 LYS 43 HD2 LYS 43 -46.141 18.969 -6.909 35 HD3 LYS 43 HD1 LYS 43 -46.327 18.036 -5.423 36 HE2 LYS 43 HE2 LYS 43 -45.870 20.383 -4.882 37 HE3 LYS 43 HE1 LYS 43 -44.514 19.375 -4.379 38 HZ1 LYS 43 HZ1 LYS 43 -43.675 21.285 -5.515 39 HZ2 LYS 43 HZ2 LYS 43 -44.698 21.018 -6.846 40 HZ3 LYS 43 HZ3 LYS 43 -43.431 19.934 -6.511 41 H GLU 44 HN GLU 44 -44.000 13.241 -6.678 42 HA GLU 44 HA GLU 44 -45.829 12.083 -8.595 43 HB2 GLU 44 HB2 GLU 44 -43.587 12.041 -9.757 44 HB3 GLU 44 HB1 GLU 44 -43.016 10.983 -8.469 45 HG2 GLU 44 HG2 GLU 44 -44.730 9.333 -9.013 46 HG3 GLU 44 HG1 GLU 44 -45.403 10.400 -10.241 47 H ALA 45 HN ALA 45 -46.437 9.902 -8.002 48 HA ALA 45 HA ALA 45 -46.581 9.519 -5.163 49 HB1 ALA 45 HB1 ALA 45 -48.228 8.091 -5.717 50 HB2 ALA 45 HB2 ALA 45 -47.129 7.111 -6.687 51 HB3 ALA 45 HB3 ALA 45 -47.932 8.510 -7.403 52 H VAL 46 HN VAL 46 -44.799 8.023 -7.795 53 HA VAL 46 HA VAL 46 -43.455 6.033 -6.306 54 HB VAL 46 HB VAL 46 -42.775 7.396 -8.913 55 HG11 VAL 46 HG11 VAL 46 -40.683 6.586 -8.381 56 HG12 VAL 46 HG12 VAL 46 -41.391 5.108 -9.032 57 HG13 VAL 46 HG13 VAL 46 -41.320 5.358 -7.288 58 HG21 VAL 46 HG21 VAL 46 -43.525 5.184 -9.816 59 HG22 VAL 46 HG22 VAL 46 -44.807 6.044 -8.963 60 HG23 VAL 46 HG23 VAL 46 -43.970 4.705 -8.178 61 H ASN 47 HN ASN 47 -42.537 9.350 -7.175 62 HA ASN 47 HA ASN 47 -39.897 9.297 -6.260 63 HB2 ASN 47 HB2 ASN 47 -41.904 11.543 -6.425 64 HB3 ASN 47 HB1 ASN 47 -40.226 11.796 -5.948 65 HD21 ASN 47 HD21 ASN 47 -41.372 12.908 -8.372 66 HD22 ASN 47 HD22 ASN 47 -40.575 12.190 -9.688 67 H ASP 48 HN ASP 48 -38.909 9.818 -4.359 68 HA ASP 48 HA ASP 48 -40.447 10.445 -1.980 69 HB2 ASP 48 HB2 ASP 48 -40.452 7.879 -2.340 70 HB3 ASP 48 HB1 ASP 48 -38.750 7.961 -1.894 71 H LYS 49 HN LYS 49 -38.967 10.763 -0.081 72 HA LYS 49 HA LYS 49 -36.804 12.426 -0.782 73 HB2 LYS 49 HB2 LYS 49 -37.549 11.100 1.830 74 HB3 LYS 49 HB1 LYS 49 -36.238 12.267 1.675 75 HG2 LYS 49 HG2 LYS 49 -37.821 13.942 0.798 76 HG3 LYS 49 HG1 LYS 49 -39.138 12.777 0.950 77 HD2 LYS 49 HD2 LYS 49 -38.752 12.648 3.382 78 HD3 LYS 49 HD1 LYS 49 -37.430 13.805 3.237 79 HE2 LYS 49 HE2 LYS 49 -38.999 15.497 2.365 80 HE3 LYS 49 HE1 LYS 49 -40.324 14.342 2.504 81 HZ1 LYS 49 HZ1 LYS 49 -38.640 15.294 4.758 82 HZ2 LYS 49 HZ2 LYS 49 -39.955 14.226 4.873 83 HZ3 LYS 49 HZ3 LYS 49 -40.209 15.841 4.411 84 H GLY 50 HN GLY 50 -36.918 9.058 0.303 85 HA2 GLY 50 HA2 GLY 50 -35.408 7.340 -0.095 86 HA3 GLY 50 HA1 GLY 50 -34.412 8.477 -0.997 87 H LYS 51 HN LYS 51 -35.059 9.930 1.880 88 HA LYS 51 HA LYS 51 -32.399 9.668 2.831 89 HB2 LYS 51 HB2 LYS 51 -34.893 10.821 4.081 90 HB3 LYS 51 HB1 LYS 51 -33.307 10.885 4.853 91 HG2 LYS 51 HG2 LYS 51 -32.387 12.051 2.887 92 HG3 LYS 51 HG1 LYS 51 -33.964 11.985 2.103 93 HD2 LYS 51 HD2 LYS 51 -34.934 13.327 3.936 94 HD3 LYS 51 HD1 LYS 51 -33.354 13.394 4.721 95 HE2 LYS 51 HE2 LYS 51 -32.417 14.544 2.751 96 HE3 LYS 51 HE1 LYS 51 -33.990 14.474 1.958 97 HZ1 LYS 51 HZ1 LYS 51 -33.651 15.724 4.614 98 HZ2 LYS 51 HZ2 LYS 51 -34.917 15.930 3.501 99 HZ3 LYS 51 HZ3 LYS 51 -33.388 16.599 3.185 100 H ALA 52 HN ALA 52 -35.339 7.914 3.508 101 HA ALA 52 HA ALA 52 -34.659 6.803 6.001 102 HB1 ALA 52 HB1 ALA 52 -36.551 5.578 5.745 103 HB2 ALA 52 HB2 ALA 52 -36.089 5.022 4.137 104 HB3 ALA 52 HB3 ALA 52 -36.816 6.616 4.344 105 H ALA 53 HN ALA 53 -33.902 5.782 2.698 106 HA ALA 53 HA ALA 53 -32.115 3.692 3.791 107 HB1 ALA 53 HB1 ALA 53 -32.427 3.443 0.969 108 HB2 ALA 53 HB2 ALA 53 -34.030 3.642 1.678 109 HB3 ALA 53 HB3 ALA 53 -32.977 2.340 2.230 110 H VAL 54 HN VAL 54 -29.962 3.698 3.255 111 HA VAL 54 HA VAL 54 -29.013 6.053 1.741 112 HB VAL 54 HB VAL 54 -28.159 6.242 3.919 113 HG11 VAL 54 HG11 VAL 54 -26.838 4.038 4.738 114 HG12 VAL 54 HG12 VAL 54 -28.091 3.273 3.761 115 HG13 VAL 54 HG13 VAL 54 -28.538 4.319 5.108 116 HG21 VAL 54 HG21 VAL 54 -25.919 4.653 2.700 117 HG22 VAL 54 HG22 VAL 54 -25.854 6.195 3.554 118 HG23 VAL 54 HG23 VAL 54 -26.465 6.126 1.901 119 H VAL 55 HN VAL 55 -28.264 5.670 -0.191 120 HA VAL 55 HA VAL 55 -27.815 3.091 -1.268 121 HB VAL 55 HB VAL 55 -27.104 5.850 -2.267 122 HG11 VAL 55 HG11 VAL 55 -25.638 4.645 -3.563 123 HG12 VAL 55 HG12 VAL 55 -27.105 4.329 -4.488 124 HG13 VAL 55 HG13 VAL 55 -26.516 3.133 -3.334 125 HG21 VAL 55 HG21 VAL 55 -29.505 5.377 -2.104 126 HG22 VAL 55 HG22 VAL 55 -29.283 3.857 -2.970 127 HG23 VAL 55 HG23 VAL 55 -29.015 5.392 -3.798 128 H LYS 56 HN LYS 56 -25.629 5.578 -0.038 129 HA LYS 56 HA LYS 56 -23.203 4.513 -0.926 130 HB2 LYS 56 HB2 LYS 56 -23.861 6.149 1.527 131 HB3 LYS 56 HB1 LYS 56 -22.214 5.782 1.011 132 HG2 LYS 56 HG2 LYS 56 -22.655 6.847 -1.170 133 HG3 LYS 56 HG1 LYS 56 -24.301 7.218 -0.657 134 HD2 LYS 56 HD2 LYS 56 -23.421 8.583 1.199 135 HD3 LYS 56 HD1 LYS 56 -21.772 8.214 0.690 136 HE2 LYS 56 HE2 LYS 56 -22.197 9.286 -1.489 137 HE3 LYS 56 HE1 LYS 56 -23.848 9.652 -0.989 138 HZ1 LYS 56 HZ1 LYS 56 -21.918 10.521 0.927 139 HZ2 LYS 56 HZ2 LYS 56 -23.163 11.397 0.175 140 HZ3 LYS 56 HZ3 LYS 56 -21.657 11.229 -0.591 141 H VAL 57 HN VAL 57 -25.292 3.365 1.592 142 HA VAL 57 HA VAL 57 -23.531 2.152 3.349 143 HB VAL 57 HB VAL 57 -26.027 2.190 3.561 144 HG11 VAL 57 HG11 VAL 57 -26.217 1.281 1.110 145 HG12 VAL 57 HG12 VAL 57 -27.393 0.753 2.315 146 HG13 VAL 57 HG13 VAL 57 -26.049 -0.300 1.875 147 HG21 VAL 57 HG21 VAL 57 -24.728 -0.544 3.778 148 HG22 VAL 57 HG22 VAL 57 -26.162 -0.010 4.654 149 HG23 VAL 57 HG23 VAL 57 -24.598 0.738 4.981 150 H VAL 58 HN VAL 58 -24.664 0.951 0.199 151 HA VAL 58 HA VAL 58 -23.262 -1.545 0.429 152 HB VAL 58 HB VAL 58 -25.308 -1.099 -1.022 153 HG11 VAL 58 HG11 VAL 58 -23.954 0.985 -2.010 154 HG12 VAL 58 HG12 VAL 58 -25.133 0.109 -2.981 155 HG13 VAL 58 HG13 VAL 58 -23.414 -0.232 -3.161 156 HG21 VAL 58 HG21 VAL 58 -22.809 -2.365 -2.183 157 HG22 VAL 58 HG22 VAL 58 -24.423 -2.580 -2.861 158 HG23 VAL 58 HG23 VAL 58 -24.062 -3.167 -1.237 159 H GLU 59 HN GLU 59 -22.509 1.636 -0.832 160 HA GLU 59 HA GLU 59 -20.308 0.946 -2.448 161 HB2 GLU 59 HB2 GLU 59 -20.974 3.483 -0.952 162 HB3 GLU 59 HB1 GLU 59 -19.600 3.338 -2.048 163 HG2 GLU 59 HG2 GLU 59 -21.086 2.741 -3.892 164 HG3 GLU 59 HG1 GLU 59 -22.479 2.772 -2.811 165 H SER 60 HN SER 60 -20.513 1.700 1.031 166 HA SER 60 HA SER 60 -17.747 1.774 1.537 167 HB2 SER 60 HB2 SER 60 -19.411 2.582 3.146 168 HB3 SER 60 HB1 SER 60 -20.024 0.944 3.353 169 HG SER 60 HG SER 60 -18.512 0.722 4.785 170 H GLN 61 HN GLN 61 -20.083 -0.885 1.571 171 HA GLN 61 HA GLN 61 -18.359 -2.889 2.553 172 HB2 GLN 61 HB2 GLN 61 -20.818 -3.025 0.801 173 HB3 GLN 61 HB1 GLN 61 -19.994 -4.455 1.426 174 HG2 GLN 61 HG2 GLN 61 -20.384 -3.767 3.708 175 HG3 GLN 61 HG1 GLN 61 -21.009 -2.205 3.180 176 HE21 GLN 61 HE21 GLN 61 -22.437 -4.321 4.754 177 HE22 GLN 61 HE22 GLN 61 -23.807 -4.719 3.834 178 H ALA 62 HN ALA 62 -18.754 -1.481 -0.608 179 HA ALA 62 HA ALA 62 -17.586 -3.507 -2.181 180 HB1 ALA 62 HB1 ALA 62 -18.759 -1.179 -2.778 181 HB2 ALA 62 HB2 ALA 62 -17.658 -1.985 -3.893 182 HB3 ALA 62 HB3 ALA 62 -17.077 -0.660 -2.885 183 H GLU 63 HN GLU 63 -16.184 -0.845 -0.327 184 HA GLU 63 HA GLU 63 -13.539 -1.036 -1.255 185 HB2 GLU 63 HB2 GLU 63 -14.386 0.847 0.100 186 HB3 GLU 63 HB1 GLU 63 -14.526 -0.225 1.493 187 HG2 GLU 63 HG2 GLU 63 -12.441 1.051 1.630 188 HG3 GLU 63 HG1 GLU 63 -12.075 -0.652 1.384 189 H LEU 64 HN LEU 64 -15.188 -2.693 1.430 190 HA LEU 64 HA LEU 64 -12.923 -4.054 2.426 191 HB2 LEU 64 HB2 LEU 64 -15.879 -4.644 2.556 192 HB3 LEU 64 HB1 LEU 64 -14.680 -5.700 3.304 193 HG LEU 64 HG LEU 64 -13.799 -3.762 4.585 194 HD11 LEU 64 HD11 LEU 64 -15.474 -1.758 4.624 195 HD12 LEU 64 HD12 LEU 64 -15.968 -2.359 3.043 196 HD13 LEU 64 HD13 LEU 64 -14.300 -1.856 3.311 197 HD21 LEU 64 HD21 LEU 64 -15.815 -3.492 6.064 198 HD22 LEU 64 HD22 LEU 64 -15.459 -5.170 5.659 199 HD23 LEU 64 HD23 LEU 64 -16.770 -4.322 4.837 200 H TYR 65 HN TYR 65 -15.261 -4.869 -0.098 201 HA TYR 65 HA TYR 65 -14.478 -7.524 -0.554 202 HB2 TYR 65 HB2 TYR 65 -16.497 -6.600 -1.551 203 HB3 TYR 65 HB1 TYR 65 -15.542 -5.458 -2.495 204 HD1 TYR 65 HD1 TYR 65 -16.111 -9.104 -1.922 205 HD2 TYR 65 HD2 TYR 65 -14.627 -6.079 -4.585 206 HE1 TYR 65 HE1 TYR 65 -15.843 -10.806 -3.706 207 HE2 TYR 65 HE2 TYR 65 -14.356 -7.781 -6.368 208 HH TYR 65 HH TYR 65 -15.020 -9.907 -6.993 209 H SER 66 HN SER 66 -13.334 -4.503 -2.062 210 HA SER 66 HA SER 66 -11.427 -5.702 -3.768 211 HB2 SER 66 HB2 SER 66 -11.545 -2.929 -2.565 212 HB3 SER 66 HB1 SER 66 -10.400 -3.418 -3.811 213 HG SER 66 HG SER 66 -12.074 -2.665 -4.955 214 H LEU 67 HN LEU 67 -11.249 -4.491 -0.456 215 HA LEU 67 HA LEU 67 -8.467 -4.705 -0.090 216 HB2 LEU 67 HB2 LEU 67 -9.952 -3.489 1.456 217 HB3 LEU 67 HB1 LEU 67 -10.697 -5.009 1.940 218 HG LEU 67 HG LEU 67 -8.510 -5.809 2.786 219 HD11 LEU 67 HD11 LEU 67 -7.629 -3.225 1.567 220 HD12 LEU 67 HD12 LEU 67 -6.806 -4.782 1.607 221 HD13 LEU 67 HD13 LEU 67 -6.823 -3.757 3.042 222 HD21 LEU 67 HD21 LEU 67 -9.146 -4.888 4.736 223 HD22 LEU 67 HD22 LEU 67 -10.124 -3.717 3.853 224 HD23 LEU 67 HD23 LEU 67 -8.445 -3.347 4.248 225 H GLU 68 HN GLU 68 -11.090 -7.029 0.455 226 HA GLU 68 HA GLU 68 -9.535 -9.087 1.586 227 HB2 GLU 68 HB2 GLU 68 -12.122 -9.139 0.031 228 HB3 GLU 68 HB1 GLU 68 -11.410 -10.579 0.758 229 HG2 GLU 68 HG2 GLU 68 -11.533 -9.614 2.966 230 HG3 GLU 68 HG1 GLU 68 -12.022 -8.053 2.310 231 H LYS 69 HN LYS 69 -10.230 -8.234 -1.765 232 HA LYS 69 HA LYS 69 -8.886 -10.592 -2.804 233 HB2 LYS 69 HB2 LYS 69 -9.892 -8.117 -4.227 234 HB3 LYS 69 HB1 LYS 69 -9.355 -9.603 -5.005 235 HG2 LYS 69 HG2 LYS 69 -11.659 -9.478 -3.039 236 HG3 LYS 69 HG1 LYS 69 -11.865 -9.375 -4.783 237 HD2 LYS 69 HD2 LYS 69 -10.667 -11.608 -4.956 238 HD3 LYS 69 HD1 LYS 69 -10.770 -11.717 -3.199 239 HE2 LYS 69 HE2 LYS 69 -13.217 -11.514 -3.311 240 HE3 LYS 69 HE1 LYS 69 -13.128 -11.412 -5.070 241 HZ1 LYS 69 HZ1 LYS 69 -12.302 -13.703 -3.374 242 HZ2 LYS 69 HZ2 LYS 69 -12.021 -13.604 -5.047 243 HZ3 LYS 69 HZ3 LYS 69 -13.611 -13.653 -4.452 244 H ASN 70 HN ASN 70 -8.052 -7.385 -1.881 245 HA ASN 70 HA ASN 70 -6.100 -6.175 -2.016 246 HB2 ASN 70 HB2 ASN 70 -4.928 -8.957 -2.245 247 HB3 ASN 70 HB1 ASN 70 -4.023 -7.496 -1.856 248 HD21 ASN 70 HD21 ASN 70 -5.156 -10.120 -0.325 249 HD22 ASN 70 HD22 ASN 70 -5.613 -9.446 1.166 250 H GLU 71 HN GLU 71 -7.479 -6.419 -4.478 251 HA GLU 71 HA GLU 71 -5.829 -7.231 -6.626 252 HB2 GLU 71 HB2 GLU 71 -8.069 -5.205 -6.473 253 HB3 GLU 71 HB1 GLU 71 -7.289 -5.681 -7.982 254 HG2 GLU 71 HG2 GLU 71 -8.532 -7.662 -6.065 255 HG3 GLU 71 HG1 GLU 71 -9.403 -6.964 -7.428 256 H ASP 72 HN ASP 72 -6.191 -4.129 -4.952 257 HA ASP 72 HA ASP 72 -3.622 -3.273 -6.107 258 HB2 ASP 72 HB2 ASP 72 -6.207 -1.711 -6.174 259 HB3 ASP 72 HB1 ASP 72 -4.628 -0.952 -6.363 260 H ALA 73 HN ALA 73 -2.302 -2.364 -4.615 261 HA ALA 73 HA ALA 73 -3.500 -1.274 -2.157 262 HB1 ALA 73 HB1 ALA 73 -1.278 -3.324 -2.285 263 HB2 ALA 73 HB2 ALA 73 -2.878 -3.540 -1.574 264 HB3 ALA 73 HB3 ALA 73 -1.724 -2.431 -0.831 265 H SER 74 HN SER 74 -2.402 0.428 -1.261 266 HA SER 74 HA SER 74 -0.565 1.835 -2.954 267 HB2 SER 74 HB2 SER 74 -0.638 3.564 -1.278 268 HB3 SER 74 HB1 SER 74 -2.270 2.934 -1.476 269 HG SER 74 HG SER 74 -0.396 2.155 0.515 270 H LEU 75 HN LEU 75 1.508 2.713 -2.082 271 HA LEU 75 HA LEU 75 3.269 0.599 -1.383 272 HB2 LEU 75 HB2 LEU 75 4.062 2.588 -2.584 273 HB3 LEU 75 HB1 LEU 75 3.698 3.592 -1.185 274 HG LEU 75 HG LEU 75 5.343 2.315 0.155 275 HD11 LEU 75 HD11 LEU 75 5.460 0.720 -2.380 276 HD12 LEU 75 HD12 LEU 75 5.472 0.160 -0.709 277 HD13 LEU 75 HD13 LEU 75 6.924 0.877 -1.410 278 HD21 LEU 75 HD21 LEU 75 5.867 4.116 -1.954 279 HD22 LEU 75 HD22 LEU 75 7.116 2.875 -2.057 280 HD23 LEU 75 HD23 LEU 75 6.894 3.780 -0.560 281 H ARG 76 HN ARG 76 1.958 3.311 0.459 282 HA ARG 76 HA ARG 76 3.161 2.934 2.898 283 HB2 ARG 76 HB2 ARG 76 0.505 3.999 2.067 284 HB3 ARG 76 HB1 ARG 76 0.760 3.684 3.783 285 HG2 ARG 76 HG2 ARG 76 1.389 5.998 3.233 286 HG3 ARG 76 HG1 ARG 76 2.811 5.077 3.726 287 HD2 ARG 76 HD2 ARG 76 3.527 4.805 1.455 288 HD3 ARG 76 HD1 ARG 76 1.995 5.411 0.832 289 HE ARG 76 HE ARG 76 3.072 7.448 2.397 290 HH11 ARG 76 HH11 ARG 76 4.271 9.123 1.440 291 HH12 ARG 76 HH12 ARG 76 5.026 8.872 -0.098 292 HH21 ARG 76 HH21 ARG 76 3.899 5.607 -0.414 293 HH22 ARG 76 HH22 ARG 76 4.816 6.880 -1.147 294 H LYS 77 HN LYS 77 0.100 1.361 1.841 295 HA LYS 77 HA LYS 77 -0.211 -0.171 4.203 296 HB2 LYS 77 HB2 LYS 77 -1.183 -0.629 1.375 297 HB3 LYS 77 HB1 LYS 77 -1.651 -1.643 2.739 298 HG2 LYS 77 HG2 LYS 77 -2.554 0.335 3.906 299 HG3 LYS 77 HG1 LYS 77 -2.085 1.354 2.544 300 HD2 LYS 77 HD2 LYS 77 -3.566 0.062 1.057 301 HD3 LYS 77 HD1 LYS 77 -4.035 -0.967 2.412 302 HE2 LYS 77 HE2 LYS 77 -4.938 0.999 3.597 303 HE3 LYS 77 HE1 LYS 77 -4.470 2.030 2.244 304 HZ1 LYS 77 HZ1 LYS 77 -6.868 0.915 2.466 305 HZ2 LYS 77 HZ2 LYS 77 -6.074 -0.301 1.585 306 HZ3 LYS 77 HZ3 LYS 77 -6.152 1.280 0.973 307 H LEU 78 HN LEU 78 1.179 -0.971 1.064 308 HA LEU 78 HA LEU 78 1.896 -3.576 1.289 309 HB2 LEU 78 HB2 LEU 78 3.014 -1.292 -0.101 310 HB3 LEU 78 HB1 LEU 78 4.273 -2.436 0.349 311 HG LEU 78 HG LEU 78 3.039 -4.255 -0.734 312 HD11 LEU 78 HD11 LEU 78 0.887 -2.296 -0.622 313 HD12 LEU 78 HD12 LEU 78 0.800 -4.042 -0.846 314 HD13 LEU 78 HD13 LEU 78 1.062 -2.986 -2.235 315 HD21 LEU 78 HD21 LEU 78 3.949 -3.690 -2.720 316 HD22 LEU 78 HD22 LEU 78 4.272 -2.101 -2.027 317 HD23 LEU 78 HD23 LEU 78 2.792 -2.378 -2.944 318 H GLN 79 HN GLN 79 4.259 -1.067 2.269 319 HA GLN 79 HA GLN 79 5.892 -2.779 3.743 320 HB2 GLN 79 HB2 GLN 79 6.513 -0.477 3.028 321 HB3 GLN 79 HB1 GLN 79 5.419 0.169 4.250 322 HG2 GLN 79 HG2 GLN 79 6.703 -0.969 6.019 323 HG3 GLN 79 HG1 GLN 79 7.791 -1.638 4.804 324 HE21 GLN 79 HE21 GLN 79 9.707 -0.471 4.744 325 HE22 GLN 79 HE22 GLN 79 9.833 1.209 4.953 326 H ALA 80 HN ALA 80 3.067 -0.914 4.732 327 HA ALA 80 HA ALA 80 3.252 -1.308 7.510 328 HB1 ALA 80 HB1 ALA 80 1.002 -0.634 7.643 329 HB2 ALA 80 HB2 ALA 80 0.611 -1.319 6.066 330 HB3 ALA 80 HB3 ALA 80 1.579 0.151 6.175 331 H ASP 81 HN ASP 81 1.865 -3.330 4.959 332 HA ASP 81 HA ASP 81 1.100 -5.396 6.868 333 HB2 ASP 81 HB2 ASP 81 0.901 -5.184 3.857 334 HB3 ASP 81 HB1 ASP 81 0.421 -6.622 4.759 335 H GLY 82 HN GLY 82 3.821 -4.441 5.151 336 HA2 GLY 82 HA2 GLY 82 5.944 -5.364 5.032 337 HA3 GLY 82 HA1 GLY 82 5.355 -6.716 5.994 338 H ARG 83 HN ARG 83 3.565 -5.933 3.160 339 HA ARG 83 HA ARG 83 3.886 -8.488 2.021 340 HB2 ARG 83 HB2 ARG 83 2.869 -5.874 0.905 341 HB3 ARG 83 HB1 ARG 83 2.861 -7.366 -0.032 342 HG2 ARG 83 HG2 ARG 83 1.677 -7.381 2.724 343 HG3 ARG 83 HG1 ARG 83 0.749 -6.670 1.404 344 HD2 ARG 83 HD2 ARG 83 1.931 -9.464 1.336 345 HD3 ARG 83 HD1 ARG 83 0.264 -9.103 1.765 346 HE ARG 83 HE ARG 83 0.694 -7.888 -0.690 347 HH11 ARG 83 HH11 ARG 83 0.142 -8.941 -2.628 348 HH12 ARG 83 HH12 ARG 83 0.035 -10.669 -2.666 349 HH21 ARG 83 HH21 ARG 83 0.864 -11.061 0.678 350 HH22 ARG 83 HH22 ARG 83 0.443 -11.869 -0.795 351 H ILE 84 HN ILE 84 5.472 -5.392 1.309 352 HA ILE 84 HA ILE 84 6.913 -6.346 -0.950 353 HB ILE 84 HB ILE 84 8.366 -4.321 -0.518 354 HG12 ILE 84 HG12 ILE 84 6.307 -3.809 1.655 355 HG13 ILE 84 HG11 ILE 84 7.958 -4.335 1.974 356 HG21 ILE 84 HG21 ILE 84 6.360 -2.739 -0.900 357 HG22 ILE 84 HG22 ILE 84 5.365 -4.187 -0.768 358 HG23 ILE 84 HG23 ILE 84 6.575 -4.064 -2.042 359 HD11 ILE 84 HD11 ILE 84 7.012 -1.716 0.808 360 HD12 ILE 84 HD12 ILE 84 8.664 -2.278 0.549 361 HD13 ILE 84 HD13 ILE 84 8.081 -1.988 2.185 362 H THR 85 HN THR 85 9.051 -6.972 -1.157 363 HA THR 85 HA THR 85 10.077 -8.505 1.062 364 HB THR 85 HB THR 85 11.715 -9.320 -0.513 365 HG1 THR 85 HG1 THR 85 11.268 -8.182 -2.739 366 HG21 THR 85 HG21 THR 85 9.002 -9.598 -0.813 367 HG22 THR 85 HG22 THR 85 10.209 -10.512 -1.719 368 HG23 THR 85 HG23 THR 85 9.491 -9.061 -2.419 369 H GLU 86 HN GLU 86 12.444 -8.419 1.553 370 HA GLU 86 HA GLU 86 13.148 -5.910 2.622 371 HB2 GLU 86 HB2 GLU 86 14.819 -8.369 2.055 372 HB3 GLU 86 HB1 GLU 86 15.412 -6.964 2.942 373 HG2 GLU 86 HG2 GLU 86 12.930 -8.512 3.727 374 HG3 GLU 86 HG1 GLU 86 14.525 -8.824 4.406 375 H GLU 87 HN GLU 87 14.032 -7.549 -0.377 376 HA GLU 87 HA GLU 87 16.042 -5.767 -1.230 377 HB2 GLU 87 HB2 GLU 87 14.108 -7.479 -2.807 378 HB3 GLU 87 HB1 GLU 87 15.456 -6.603 -3.531 379 HG2 GLU 87 HG2 GLU 87 15.775 -8.592 -1.268 380 HG3 GLU 87 HG1 GLU 87 15.965 -9.013 -2.968 381 H GLN 88 HN GLN 88 12.515 -5.727 -1.650 382 HA GLN 88 HA GLN 88 12.567 -3.320 -3.247 383 HB2 GLN 88 HB2 GLN 88 10.492 -5.141 -2.155 384 HB3 GLN 88 HB1 GLN 88 10.001 -3.470 -2.437 385 HG2 GLN 88 HG2 GLN 88 9.607 -4.842 -4.442 386 HG3 GLN 88 HG1 GLN 88 10.832 -3.617 -4.756 387 HE21 GLN 88 HE21 GLN 88 10.788 -6.982 -3.422 388 HE22 GLN 88 HE22 GLN 88 12.128 -7.502 -4.326 389 H ALA 89 HN ALA 89 12.565 -4.105 0.090 390 HA ALA 89 HA ALA 89 11.382 -1.772 1.168 391 HB1 ALA 89 HB1 ALA 89 13.587 -3.376 2.466 392 HB2 ALA 89 HB2 ALA 89 11.915 -3.933 2.396 393 HB3 ALA 89 HB3 ALA 89 12.313 -2.443 3.252 394 H LYS 90 HN LYS 90 14.376 -2.307 -0.406 395 HA LYS 90 HA LYS 90 16.029 -0.400 0.821 396 HB2 LYS 90 HB2 LYS 90 15.935 -1.218 -2.097 397 HB3 LYS 90 HB1 LYS 90 17.285 -0.423 -1.293 398 HG2 LYS 90 HG2 LYS 90 16.207 -3.010 -0.195 399 HG3 LYS 90 HG1 LYS 90 17.297 -3.040 -1.575 400 HD2 LYS 90 HD2 LYS 90 18.035 -1.464 0.878 401 HD3 LYS 90 HD1 LYS 90 18.282 -3.204 0.845 402 HE2 LYS 90 HE2 LYS 90 19.596 -2.921 -1.275 403 HE3 LYS 90 HE1 LYS 90 19.447 -1.175 -1.089 404 HZ1 LYS 90 HZ1 LYS 90 21.475 -2.521 -0.110 405 HZ2 LYS 90 HZ2 LYS 90 20.418 -2.685 1.209 406 HZ3 LYS 90 HZ3 LYS 90 20.860 -1.140 0.659 407 H ALA 91 HN ALA 91 13.290 -0.054 -1.267 408 HA ALA 91 HA ALA 91 13.794 2.485 -2.367 409 HB1 ALA 91 HB1 ALA 91 11.286 2.526 -2.640 410 HB2 ALA 91 HB2 ALA 91 11.240 0.986 -1.780 411 HB3 ALA 91 HB3 ALA 91 12.087 1.109 -3.322 412 H TYR 92 HN TYR 92 13.136 1.577 0.845 413 HA TYR 92 HA TYR 92 11.481 3.519 1.879 414 HB2 TYR 92 HB2 TYR 92 12.418 3.071 3.964 415 HB3 TYR 92 HB1 TYR 92 12.815 1.615 3.058 416 HD1 TYR 92 HD1 TYR 92 14.122 4.581 4.717 417 HD2 TYR 92 HD2 TYR 92 15.115 1.328 2.097 418 HE1 TYR 92 HE1 TYR 92 16.534 4.986 5.124 419 HE2 TYR 92 HE2 TYR 92 17.526 1.732 2.503 420 HH TYR 92 HH TYR 92 18.625 3.937 4.965 421 H LYS 93 HN LYS 93 14.564 3.927 0.438 422 HA LYS 93 HA LYS 93 15.379 6.352 1.659 423 HB2 LYS 93 HB2 LYS 93 16.033 4.993 -0.941 424 HB3 LYS 93 HB1 LYS 93 16.645 6.611 -0.594 425 HG2 LYS 93 HG2 LYS 93 16.938 4.493 1.499 426 HG3 LYS 93 HG1 LYS 93 18.030 4.459 0.116 427 HD2 LYS 93 HD2 LYS 93 17.602 7.045 1.587 428 HD3 LYS 93 HD1 LYS 93 18.683 5.833 2.271 429 HE2 LYS 93 HE2 LYS 93 19.949 5.788 0.128 430 HE3 LYS 93 HE1 LYS 93 18.905 7.064 -0.497 431 HZ1 LYS 93 HZ1 LYS 93 21.196 7.391 0.977 432 HZ2 LYS 93 HZ2 LYS 93 19.936 7.738 2.063 433 HZ3 LYS 93 HZ3 LYS 93 20.055 8.588 0.596 434 H GLU 94 HN GLU 94 12.792 5.674 -0.374 435 HA GLU 94 HA GLU 94 12.649 8.095 -1.883 436 HB2 GLU 94 HB2 GLU 94 10.565 6.044 -1.113 437 HB3 GLU 94 HB1 GLU 94 10.215 7.440 -2.132 438 HG2 GLU 94 HG2 GLU 94 11.814 6.720 -3.790 439 HG3 GLU 94 HG1 GLU 94 12.401 5.434 -2.741 440 H TYR 95 HN TYR 95 11.864 7.170 1.343 441 HA TYR 95 HA TYR 95 9.997 9.217 1.995 442 HB2 TYR 95 HB2 TYR 95 10.300 7.248 3.427 443 HB3 TYR 95 HB1 TYR 95 11.960 7.738 3.768 444 HD1 TYR 95 HD1 TYR 95 8.402 8.803 4.104 445 HD2 TYR 95 HD2 TYR 95 12.447 9.347 5.445 446 HE1 TYR 95 HE1 TYR 95 7.598 10.264 5.940 447 HE2 TYR 95 HE2 TYR 95 11.642 10.807 7.280 448 HH TYR 95 HH TYR 95 9.194 12.354 7.458 449 H ASN 96 HN ASN 96 13.491 8.924 2.304 450 HA ASN 96 HA ASN 96 14.012 11.433 3.494 451 HB2 ASN 96 HB2 ASN 96 15.637 9.518 3.298 452 HB3 ASN 96 HB1 ASN 96 15.845 9.948 1.602 453 HD21 ASN 96 HD21 ASN 96 18.050 10.673 1.818 454 HD22 ASN 96 HD22 ASN 96 18.463 12.059 2.705 455 H ASP 97 HN ASP 97 13.883 10.430 0.093 456 HA ASP 97 HA ASP 97 14.659 12.898 -1.037 457 HB2 ASP 97 HB2 ASP 97 14.578 10.748 -2.280 458 HB3 ASP 97 HB1 ASP 97 12.818 10.808 -2.220 459 H LYS 98 HN LYS 98 11.502 11.589 -0.132 460 HA LYS 98 HA LYS 98 9.887 13.603 -1.225 461 HB2 LYS 98 HB2 LYS 98 9.011 11.472 -0.384 462 HB3 LYS 98 HB1 LYS 98 9.435 11.932 1.258 463 HG2 LYS 98 HG2 LYS 98 7.042 12.332 0.835 464 HG3 LYS 98 HG1 LYS 98 7.879 13.854 1.126 465 HD2 LYS 98 HD2 LYS 98 7.772 14.491 -1.129 466 HD3 LYS 98 HD1 LYS 98 7.548 12.831 -1.688 467 HE2 LYS 98 HE2 LYS 98 5.441 14.099 -1.845 468 HE3 LYS 98 HE1 LYS 98 5.298 12.800 -0.662 469 HZ1 LYS 98 HZ1 LYS 98 6.168 14.746 0.899 470 HZ2 LYS 98 HZ2 LYS 98 4.517 14.479 0.599 471 HZ3 LYS 98 HZ3 LYS 98 5.356 15.681 -0.258 472 H ASN 99 HN ASN 99 11.432 13.340 1.959 473 HA ASN 99 HA ASN 99 10.313 15.648 3.108 474 HB2 ASN 99 HB2 ASN 99 12.954 14.253 3.572 475 HB3 ASN 99 HB1 ASN 99 12.411 15.624 4.539 476 HD21 ASN 99 HD21 ASN 99 12.803 12.978 5.650 477 HD22 ASN 99 HD22 ASN 99 11.285 12.402 6.148 478 H GLY 100 HN GLY 100 13.042 15.186 0.929 479 HA2 GLY 100 HA2 GLY 100 13.694 16.914 -0.603 480 HA3 GLY 100 HA1 GLY 100 13.165 18.113 0.573 481 H GLY 101 HN GLY 101 14.784 15.613 2.114 482 HA2 GLY 101 HA2 GLY 101 16.930 17.211 2.991 483 HA3 GLY 101 HA1 GLY 101 16.842 15.458 3.137 484 H ALA 102 HN ALA 102 16.665 14.841 0.379 485 HA ALA 102 HA ALA 102 19.384 14.720 -0.341 486 HB1 ALA 102 HB1 ALA 102 16.898 14.373 -2.035 487 HB2 ALA 102 HB2 ALA 102 17.780 13.099 -1.191 488 HB3 ALA 102 HB3 ALA 102 18.530 13.941 -2.547 489 H ASN 103 HN ASN 103 16.786 16.914 -1.263 490 HA ASN 103 HA ASN 103 18.520 18.387 -3.092 491 HB2 ASN 103 HB2 ASN 103 16.082 18.002 -3.567 492 HB3 ASN 103 HB1 ASN 103 15.708 19.057 -2.205 493 HD21 ASN 103 HD21 ASN 103 14.789 20.769 -3.501 494 HD22 ASN 103 HD22 ASN 103 15.733 21.700 -4.561 495 H ARG 104 HN ARG 104 20.060 19.508 -2.018 496 HA ARG 104 HA ARG 104 19.702 20.714 0.526 497 HB2 ARG 104 HB2 ARG 104 21.771 21.115 -1.638 498 HB3 ARG 104 HB1 ARG 104 21.849 21.908 -0.063 499 HG2 ARG 104 HG2 ARG 104 21.744 19.654 1.021 500 HG3 ARG 104 HG1 ARG 104 21.825 18.922 -0.583 501 HD2 ARG 104 HD2 ARG 104 23.905 20.827 0.513 502 HD3 ARG 104 HD1 ARG 104 24.049 19.080 0.572 503 HE ARG 104 HE ARG 104 24.203 19.044 -1.823 504 HH11 ARG 104 HH11 ARG 104 25.119 20.048 -3.622 505 HH12 ARG 104 HH12 ARG 104 25.375 21.762 -3.624 506 HH21 ARG 104 HH21 ARG 104 24.093 22.242 -0.447 507 HH22 ARG 104 HH22 ARG 104 24.797 22.994 -1.835 508 H LYS 105 HN LYS 105 19.465 22.879 1.097 509 HA LYS 105 HA LYS 105 18.080 24.515 -0.916 510 HB2 LYS 105 HB2 LYS 105 18.249 24.779 2.097 511 HB3 LYS 105 HB1 LYS 105 17.311 25.831 1.035 512 HG2 LYS 105 HG2 LYS 105 16.003 23.887 0.259 513 HG3 LYS 105 HG1 LYS 105 16.936 22.835 1.323 514 HD2 LYS 105 HD2 LYS 105 16.152 24.124 3.280 515 HD3 LYS 105 HD1 LYS 105 15.207 25.163 2.213 516 HE2 LYS 105 HE2 LYS 105 13.917 23.206 1.446 517 HE3 LYS 105 HE1 LYS 105 14.857 22.166 2.514 518 HZ1 LYS 105 HZ1 LYS 105 13.211 22.606 3.951 519 HZ2 LYS 105 HZ2 LYS 105 12.723 24.020 3.145 520 HZ3 LYS 105 HZ3 LYS 105 14.045 24.060 4.211 521 H VAL 106 HN VAL 106 18.875 26.442 -1.618 522 HA VAL 106 HA VAL 106 21.617 27.030 -1.318 523 HB VAL 106 HB VAL 106 21.078 29.136 -2.492 524 HG11 VAL 106 HG11 VAL 106 20.235 26.448 -3.366 525 HG12 VAL 106 HG12 VAL 106 21.268 27.623 -4.180 526 HG13 VAL 106 HG13 VAL 106 19.514 27.767 -4.286 527 HG21 VAL 106 HG21 VAL 106 18.605 29.370 -3.168 528 HG22 VAL 106 HG22 VAL 106 19.015 29.805 -1.510 529 HG23 VAL 106 HG23 VAL 106 18.259 28.249 -1.851 530 H ASN 107 HN ASN 107 18.783 28.064 0.448 531 HA ASN 107 HA ASN 107 20.429 29.943 2.024 532 HB2 ASN 107 HB2 ASN 107 17.437 29.684 1.681 533 HB3 ASN 107 HB1 ASN 107 18.189 30.740 2.876 534 HD21 ASN 107 HD21 ASN 107 16.582 31.737 0.676 535 HD22 ASN 107 HD22 ASN 107 17.603 32.646 -0.330 536 H ASP 108 HN ASP 108 20.818 29.582 4.142 537 HA ASP 108 HA ASP 108 20.389 26.983 5.218 538 HB2 ASP 108 HB2 ASP 108 21.441 27.852 7.230 539 HB3 ASP 108 HB1 ASP 108 22.322 28.423 5.813 Start of MODEL 2 1 HA THR 40 HA THR 40 -28.175 -23.496 8.799 2 HB THR 40 HB THR 40 -27.233 -21.140 9.301 3 HG1 THR 40 HG1 THR 40 -27.349 -21.109 6.641 4 HG21 THR 40 HG21 THR 40 -25.918 -23.147 9.670 5 HG22 THR 40 HG22 THR 40 -24.895 -21.939 8.891 6 HG23 THR 40 HG23 THR 40 -25.560 -23.272 7.948 7 H LYS 41 HN LYS 41 -30.238 -23.296 9.427 8 HA LYS 41 HA LYS 41 -32.300 -22.401 9.845 9 HB2 LYS 41 HB2 LYS 41 -31.178 -19.727 9.013 10 HB3 LYS 41 HB1 LYS 41 -32.480 -20.059 10.154 11 HG2 LYS 41 HG2 LYS 41 -30.774 -21.297 11.576 12 HG3 LYS 41 HG1 LYS 41 -29.531 -20.651 10.507 13 HD2 LYS 41 HD2 LYS 41 -29.548 -19.030 12.172 14 HD3 LYS 41 HD1 LYS 41 -30.705 -18.343 11.033 15 HE2 LYS 41 HE2 LYS 41 -32.571 -19.288 12.327 16 HE3 LYS 41 HE1 LYS 41 -31.434 -20.048 13.437 17 HZ1 LYS 41 HZ1 LYS 41 -30.881 -18.072 14.382 18 HZ2 LYS 41 HZ2 LYS 41 -32.490 -17.731 13.960 19 HZ3 LYS 41 HZ3 LYS 41 -31.217 -17.165 12.988 20 H GLN 42 HN GLN 42 -31.128 -20.390 7.119 21 HA GLN 42 HA GLN 42 -32.063 -19.958 5.064 22 HB2 GLN 42 HB2 GLN 42 -32.971 -22.826 5.403 23 HB3 GLN 42 HB1 GLN 42 -33.043 -21.918 3.891 24 HG2 GLN 42 HG2 GLN 42 -30.597 -21.573 3.991 25 HG3 GLN 42 HG1 GLN 42 -30.532 -22.512 5.482 26 HE21 GLN 42 HE21 GLN 42 -29.532 -24.454 4.857 27 HE22 GLN 42 HE22 GLN 42 -30.054 -25.419 3.562 28 H LYS 43 HN LYS 43 -33.489 -18.736 6.896 29 HA LYS 43 HA LYS 43 -36.186 -19.471 7.223 30 HB2 LYS 43 HB2 LYS 43 -34.884 -16.738 7.230 31 HB3 LYS 43 HB1 LYS 43 -36.542 -17.052 7.739 32 HG2 LYS 43 HG2 LYS 43 -35.716 -18.615 9.465 33 HG3 LYS 43 HG1 LYS 43 -34.057 -18.285 8.963 34 HD2 LYS 43 HD2 LYS 43 -34.380 -15.887 9.502 35 HD3 LYS 43 HD1 LYS 43 -36.020 -16.242 10.048 36 HE2 LYS 43 HE2 LYS 43 -33.499 -17.452 11.216 37 HE3 LYS 43 HE1 LYS 43 -34.422 -16.138 11.943 38 HZ1 LYS 43 HZ1 LYS 43 -34.851 -18.847 12.250 39 HZ2 LYS 43 HZ2 LYS 43 -36.127 -18.295 11.270 40 HZ3 LYS 43 HZ3 LYS 43 -35.848 -17.584 12.788 41 H GLU 44 HN GLU 44 -38.073 -18.532 6.266 42 HA GLU 44 HA GLU 44 -37.945 -18.445 3.394 43 HB2 GLU 44 HB2 GLU 44 -40.206 -17.994 5.356 44 HB3 GLU 44 HB1 GLU 44 -40.412 -17.966 3.604 45 HG2 GLU 44 HG2 GLU 44 -39.616 -20.261 3.430 46 HG3 GLU 44 HG1 GLU 44 -39.265 -20.302 5.156 47 H ALA 45 HN ALA 45 -36.945 -16.284 5.497 48 HA ALA 45 HA ALA 45 -38.121 -13.915 4.198 49 HB1 ALA 45 HB1 ALA 45 -38.148 -13.213 6.342 50 HB2 ALA 45 HB2 ALA 45 -36.406 -13.002 6.166 51 HB3 ALA 45 HB3 ALA 45 -37.049 -14.491 6.861 52 H VAL 46 HN VAL 46 -35.571 -15.976 3.814 53 HA VAL 46 HA VAL 46 -33.354 -14.277 3.455 54 HB VAL 46 HB VAL 46 -33.269 -16.768 3.643 55 HG11 VAL 46 HG11 VAL 46 -33.970 -16.835 0.713 56 HG12 VAL 46 HG12 VAL 46 -35.232 -16.964 1.938 57 HG13 VAL 46 HG13 VAL 46 -33.942 -18.165 1.872 58 HG21 VAL 46 HG21 VAL 46 -31.772 -15.033 1.900 59 HG22 VAL 46 HG22 VAL 46 -31.861 -16.638 1.176 60 HG23 VAL 46 HG23 VAL 46 -31.206 -16.438 2.800 61 H ASN 47 HN ASN 47 -36.062 -15.072 1.363 62 HA ASN 47 HA ASN 47 -34.951 -14.252 -1.095 63 HB2 ASN 47 HB2 ASN 47 -37.799 -14.275 -0.086 64 HB3 ASN 47 HB1 ASN 47 -37.367 -13.857 -1.742 65 HD21 ASN 47 HD21 ASN 47 -38.958 -16.191 -1.056 66 HD22 ASN 47 HD22 ASN 47 -38.057 -17.563 -1.489 67 H ASP 48 HN ASP 48 -34.542 -12.298 -1.949 68 HA ASP 48 HA ASP 48 -35.851 -9.913 -0.905 69 HB2 ASP 48 HB2 ASP 48 -33.930 -10.207 0.605 70 HB3 ASP 48 HB1 ASP 48 -32.846 -10.245 -0.783 71 H LYS 49 HN LYS 49 -36.612 -9.168 -2.804 72 HA LYS 49 HA LYS 49 -35.363 -9.500 -5.316 73 HB2 LYS 49 HB2 LYS 49 -37.784 -8.953 -4.913 74 HB3 LYS 49 HB1 LYS 49 -37.292 -7.300 -4.544 75 HG2 LYS 49 HG2 LYS 49 -36.194 -7.168 -6.782 76 HG3 LYS 49 HG1 LYS 49 -36.813 -8.776 -7.151 77 HD2 LYS 49 HD2 LYS 49 -38.631 -6.499 -6.343 78 HD3 LYS 49 HD1 LYS 49 -38.193 -6.801 -8.021 79 HE2 LYS 49 HE2 LYS 49 -39.054 -9.159 -7.733 80 HE3 LYS 49 HE1 LYS 49 -39.669 -8.674 -6.155 81 HZ1 LYS 49 HZ1 LYS 49 -41.467 -8.279 -7.485 82 HZ2 LYS 49 HZ2 LYS 49 -40.529 -7.806 -8.821 83 HZ3 LYS 49 HZ3 LYS 49 -40.726 -6.753 -7.503 84 H GLY 50 HN GLY 50 -35.272 -6.914 -2.918 85 HA2 GLY 50 HA2 GLY 50 -33.441 -5.528 -2.483 86 HA3 GLY 50 HA1 GLY 50 -32.763 -5.957 -4.045 87 H LYS 51 HN LYS 51 -35.898 -5.149 -4.754 88 HA LYS 51 HA LYS 51 -35.134 -2.662 -5.902 89 HB2 LYS 51 HB2 LYS 51 -37.831 -3.934 -5.475 90 HB3 LYS 51 HB1 LYS 51 -37.644 -2.329 -6.179 91 HG2 LYS 51 HG2 LYS 51 -36.155 -3.273 -7.921 92 HG3 LYS 51 HG1 LYS 51 -36.373 -4.875 -7.227 93 HD2 LYS 51 HD2 LYS 51 -37.899 -4.754 -9.058 94 HD3 LYS 51 HD1 LYS 51 -38.883 -4.550 -7.612 95 HE2 LYS 51 HE2 LYS 51 -39.014 -2.164 -7.951 96 HE3 LYS 51 HE1 LYS 51 -37.796 -2.224 -9.225 97 HZ1 LYS 51 HZ1 LYS 51 -40.617 -2.919 -9.298 98 HZ2 LYS 51 HZ2 LYS 51 -39.577 -3.938 -10.174 99 HZ3 LYS 51 HZ3 LYS 51 -39.626 -2.273 -10.513 100 H ALA 52 HN ALA 52 -36.822 -3.508 -2.917 101 HA ALA 52 HA ALA 52 -37.578 -0.901 -2.154 102 HB1 ALA 52 HB1 ALA 52 -37.511 -3.525 -0.950 103 HB2 ALA 52 HB2 ALA 52 -38.535 -2.146 -0.551 104 HB3 ALA 52 HB3 ALA 52 -36.949 -2.313 0.200 105 H ALA 53 HN ALA 53 -34.603 -2.739 -1.681 106 HA ALA 53 HA ALA 53 -33.297 -0.926 0.047 107 HB1 ALA 53 HB1 ALA 53 -32.420 -3.123 -1.788 108 HB2 ALA 53 HB2 ALA 53 -32.236 -2.983 -0.039 109 HB3 ALA 53 HB3 ALA 53 -31.204 -2.039 -1.112 110 H VAL 54 HN VAL 54 -31.867 0.753 -0.356 111 HA VAL 54 HA VAL 54 -31.991 1.883 -3.087 112 HB VAL 54 HB VAL 54 -31.542 3.283 -0.438 113 HG11 VAL 54 HG11 VAL 54 -32.084 5.279 -2.073 114 HG12 VAL 54 HG12 VAL 54 -31.504 4.165 -3.309 115 HG13 VAL 54 HG13 VAL 54 -30.445 4.640 -1.985 116 HG21 VAL 54 HG21 VAL 54 -33.860 2.435 -0.798 117 HG22 VAL 54 HG22 VAL 54 -33.919 3.312 -2.327 118 HG23 VAL 54 HG23 VAL 54 -33.785 4.198 -0.808 119 H VAL 55 HN VAL 55 -30.162 2.086 -4.207 120 HA VAL 55 HA VAL 55 -27.802 0.873 -3.719 121 HB VAL 55 HB VAL 55 -26.730 2.512 -5.240 122 HG11 VAL 55 HG11 VAL 55 -28.187 2.073 -7.143 123 HG12 VAL 55 HG12 VAL 55 -29.552 1.771 -6.067 124 HG13 VAL 55 HG13 VAL 55 -28.181 0.661 -6.085 125 HG21 VAL 55 HG21 VAL 55 -27.478 4.640 -5.162 126 HG22 VAL 55 HG22 VAL 55 -28.905 4.157 -4.243 127 HG23 VAL 55 HG23 VAL 55 -28.928 4.092 -6.005 128 H LYS 56 HN LYS 56 -28.895 3.786 -2.172 129 HA LYS 56 HA LYS 56 -26.414 4.843 -1.346 130 HB2 LYS 56 HB2 LYS 56 -29.155 4.966 -0.070 131 HB3 LYS 56 HB1 LYS 56 -27.767 5.867 0.528 132 HG2 LYS 56 HG2 LYS 56 -28.510 6.078 -2.374 133 HG3 LYS 56 HG1 LYS 56 -29.426 6.996 -1.181 134 HD2 LYS 56 HD2 LYS 56 -27.285 7.975 -0.344 135 HD3 LYS 56 HD1 LYS 56 -26.425 7.126 -1.626 136 HE2 LYS 56 HE2 LYS 56 -26.887 9.420 -2.333 137 HE3 LYS 56 HE1 LYS 56 -27.828 8.295 -3.311 138 HZ1 LYS 56 HZ1 LYS 56 -29.358 8.871 -1.079 139 HZ2 LYS 56 HZ2 LYS 56 -29.633 9.380 -2.676 140 HZ3 LYS 56 HZ3 LYS 56 -28.742 10.358 -1.611 141 H VAL 57 HN VAL 57 -28.536 2.400 0.082 142 HA VAL 57 HA VAL 57 -27.142 2.074 2.514 143 HB VAL 57 HB VAL 57 -28.864 0.169 0.918 144 HG11 VAL 57 HG11 VAL 57 -28.939 -0.807 3.435 145 HG12 VAL 57 HG12 VAL 57 -27.285 -0.195 3.413 146 HG13 VAL 57 HG13 VAL 57 -27.797 -1.390 2.224 147 HG21 VAL 57 HG21 VAL 57 -29.754 2.351 2.022 148 HG22 VAL 57 HG22 VAL 57 -29.490 1.509 3.548 149 HG23 VAL 57 HG23 VAL 57 -30.608 0.845 2.356 150 H VAL 58 HN VAL 58 -26.832 0.433 -0.622 151 HA VAL 58 HA VAL 58 -24.864 -1.429 0.141 152 HB VAL 58 HB VAL 58 -25.493 -0.163 -2.530 153 HG11 VAL 58 HG11 VAL 58 -23.342 -2.032 -1.681 154 HG12 VAL 58 HG12 VAL 58 -23.386 -0.909 -3.040 155 HG13 VAL 58 HG13 VAL 58 -24.214 -2.463 -3.153 156 HG21 VAL 58 HG21 VAL 58 -25.942 -3.026 -2.121 157 HG22 VAL 58 HG22 VAL 58 -27.052 -1.794 -2.722 158 HG23 VAL 58 HG23 VAL 58 -26.857 -2.033 -0.986 159 H GLU 59 HN GLU 59 -24.553 1.817 -1.295 160 HA GLU 59 HA GLU 59 -21.737 1.842 -1.448 161 HB2 GLU 59 HB2 GLU 59 -23.760 4.075 -1.220 162 HB3 GLU 59 HB1 GLU 59 -22.035 4.355 -1.461 163 HG2 GLU 59 HG2 GLU 59 -22.064 3.116 -3.542 164 HG3 GLU 59 HG1 GLU 59 -23.735 2.623 -3.276 165 H SER 60 HN SER 60 -23.967 2.766 1.120 166 HA SER 60 HA SER 60 -22.094 3.982 2.853 167 HB2 SER 60 HB2 SER 60 -24.515 4.166 3.212 168 HB3 SER 60 HB1 SER 60 -24.610 2.439 3.543 169 HG SER 60 HG SER 60 -23.951 2.834 5.494 170 H GLN 61 HN GLN 61 -23.256 0.630 2.656 171 HA GLN 61 HA GLN 61 -21.587 -0.375 4.728 172 HB2 GLN 61 HB2 GLN 61 -23.660 -1.495 3.888 173 HB3 GLN 61 HB1 GLN 61 -22.804 -1.878 2.398 174 HG2 GLN 61 HG2 GLN 61 -22.719 -3.800 3.903 175 HG3 GLN 61 HG1 GLN 61 -21.104 -3.120 3.724 176 HE21 GLN 61 HE21 GLN 61 -20.059 -3.126 5.711 177 HE22 GLN 61 HE22 GLN 61 -20.794 -2.777 7.202 178 H ALA 62 HN ALA 62 -21.275 -0.136 1.236 179 HA ALA 62 HA ALA 62 -18.959 -1.677 0.881 180 HB1 ALA 62 HB1 ALA 62 -20.470 -0.878 -0.940 181 HB2 ALA 62 HB2 ALA 62 -18.760 -0.595 -1.267 182 HB3 ALA 62 HB3 ALA 62 -19.789 0.737 -0.739 183 H GLU 63 HN GLU 63 -19.356 1.542 2.140 184 HA GLU 63 HA GLU 63 -16.822 2.604 1.568 185 HB2 GLU 63 HB2 GLU 63 -18.736 3.892 2.515 186 HB3 GLU 63 HB1 GLU 63 -18.478 3.084 4.059 187 HG2 GLU 63 HG2 GLU 63 -16.229 4.554 2.682 188 HG3 GLU 63 HG1 GLU 63 -17.380 5.411 3.702 189 H LEU 64 HN LEU 64 -17.929 0.583 4.271 190 HA LEU 64 HA LEU 64 -15.510 0.626 5.740 191 HB2 LEU 64 HB2 LEU 64 -17.752 -1.400 5.607 192 HB3 LEU 64 HB1 LEU 64 -16.413 -1.514 6.745 193 HG LEU 64 HG LEU 64 -18.242 0.894 6.507 194 HD11 LEU 64 HD11 LEU 64 -18.463 -1.645 8.032 195 HD12 LEU 64 HD12 LEU 64 -19.729 -0.559 7.461 196 HD13 LEU 64 HD13 LEU 64 -18.822 -0.166 8.922 197 HD21 LEU 64 HD21 LEU 64 -17.192 1.024 8.985 198 HD22 LEU 64 HD22 LEU 64 -16.408 1.765 7.591 199 HD23 LEU 64 HD23 LEU 64 -15.866 0.193 8.175 200 H TYR 65 HN TYR 65 -16.707 -1.497 3.172 201 HA TYR 65 HA TYR 65 -14.521 -3.328 3.285 202 HB2 TYR 65 HB2 TYR 65 -16.648 -2.771 1.225 203 HB3 TYR 65 HB1 TYR 65 -15.370 -3.954 0.951 204 HD1 TYR 65 HD1 TYR 65 -18.325 -3.110 2.987 205 HD2 TYR 65 HD2 TYR 65 -15.250 -6.013 2.245 206 HE1 TYR 65 HE1 TYR 65 -19.570 -4.774 4.342 207 HE2 TYR 65 HE2 TYR 65 -16.496 -7.678 3.599 208 HH TYR 65 HH TYR 65 -19.713 -7.276 4.498 209 H SER 66 HN SER 66 -15.045 -0.275 1.667 210 HA SER 66 HA SER 66 -13.142 -0.470 -0.371 211 HB2 SER 66 HB2 SER 66 -14.729 1.381 -0.248 212 HB3 SER 66 HB1 SER 66 -13.949 1.972 1.216 213 HG SER 66 HG SER 66 -13.279 2.953 -0.841 214 H LEU 67 HN LEU 67 -12.774 0.493 3.022 215 HA LEU 67 HA LEU 67 -10.077 1.299 2.877 216 HB2 LEU 67 HB2 LEU 67 -11.698 0.133 5.149 217 HB3 LEU 67 HB1 LEU 67 -10.061 0.753 5.349 218 HG LEU 67 HG LEU 67 -12.366 2.363 4.210 219 HD11 LEU 67 HD11 LEU 67 -11.692 1.685 6.944 220 HD12 LEU 67 HD12 LEU 67 -13.075 2.591 6.331 221 HD13 LEU 67 HD13 LEU 67 -11.561 3.424 6.684 222 HD21 LEU 67 HD21 LEU 67 -10.564 4.163 5.135 223 HD22 LEU 67 HD22 LEU 67 -10.551 3.561 3.479 224 HD23 LEU 67 HD23 LEU 67 -9.467 2.861 4.679 225 H GLU 68 HN GLU 68 -11.578 -1.866 3.395 226 HA GLU 68 HA GLU 68 -8.987 -3.167 3.666 227 HB2 GLU 68 HB2 GLU 68 -11.783 -4.322 3.548 228 HB3 GLU 68 HB1 GLU 68 -10.316 -5.227 3.920 229 HG2 GLU 68 HG2 GLU 68 -11.289 -2.835 5.506 230 HG3 GLU 68 HG1 GLU 68 -11.577 -4.512 5.964 231 H LYS 69 HN LYS 69 -11.153 -2.308 1.170 232 HA LYS 69 HA LYS 69 -10.549 -4.417 -0.671 233 HB2 LYS 69 HB2 LYS 69 -12.551 -2.854 -0.834 234 HB3 LYS 69 HB1 LYS 69 -11.426 -1.620 -1.395 235 HG2 LYS 69 HG2 LYS 69 -12.139 -2.526 -3.418 236 HG3 LYS 69 HG1 LYS 69 -10.690 -3.481 -3.111 237 HD2 LYS 69 HD2 LYS 69 -12.061 -5.287 -2.156 238 HD3 LYS 69 HD1 LYS 69 -13.516 -4.320 -2.391 239 HE2 LYS 69 HE2 LYS 69 -13.357 -5.863 -4.241 240 HE3 LYS 69 HE1 LYS 69 -12.972 -4.255 -4.854 241 HZ1 LYS 69 HZ1 LYS 69 -10.735 -5.805 -3.835 242 HZ2 LYS 69 HZ2 LYS 69 -10.831 -4.796 -5.199 243 HZ3 LYS 69 HZ3 LYS 69 -11.437 -6.381 -5.267 244 H ASN 70 HN ASN 70 -9.167 -1.281 0.091 245 HA ASN 70 HA ASN 70 -7.226 -0.252 -0.561 246 HB2 ASN 70 HB2 ASN 70 -6.377 -3.072 -1.260 247 HB3 ASN 70 HB1 ASN 70 -5.309 -1.691 -1.019 248 HD21 ASN 70 HD21 ASN 70 -5.959 -0.518 1.271 249 HD22 ASN 70 HD22 ASN 70 -6.043 -1.604 2.573 250 H GLU 71 HN GLU 71 -9.171 0.060 -2.385 251 HA GLU 71 HA GLU 71 -8.690 -0.900 -4.986 252 HB2 GLU 71 HB2 GLU 71 -9.949 1.675 -4.015 253 HB3 GLU 71 HB1 GLU 71 -9.940 1.172 -5.707 254 HG2 GLU 71 HG2 GLU 71 -11.129 -0.888 -5.130 255 HG3 GLU 71 HG1 GLU 71 -11.076 -0.458 -3.422 256 H ASP 72 HN ASP 72 -7.435 1.923 -3.260 257 HA ASP 72 HA ASP 72 -5.166 2.011 -5.079 258 HB2 ASP 72 HB2 ASP 72 -5.437 4.391 -5.602 259 HB3 ASP 72 HB1 ASP 72 -6.806 3.457 -6.205 260 H ALA 73 HN ALA 73 -3.361 2.978 -4.189 261 HA ALA 73 HA ALA 73 -3.494 4.458 -1.716 262 HB1 ALA 73 HB1 ALA 73 -3.630 2.447 -0.559 263 HB2 ALA 73 HB2 ALA 73 -1.884 2.681 -0.647 264 HB3 ALA 73 HB3 ALA 73 -2.683 1.572 -1.762 265 H SER 74 HN SER 74 -1.426 5.340 -1.116 266 HA SER 74 HA SER 74 0.321 5.695 -3.401 267 HB2 SER 74 HB2 SER 74 1.428 7.367 -2.067 268 HB3 SER 74 HB1 SER 74 -0.307 7.569 -1.843 269 HG SER 74 HG SER 74 1.365 6.035 -0.138 270 H LEU 75 HN LEU 75 2.743 5.570 -2.998 271 HA LEU 75 HA LEU 75 3.418 2.908 -2.299 272 HB2 LEU 75 HB2 LEU 75 4.878 5.328 -3.184 273 HB3 LEU 75 HB1 LEU 75 5.822 4.128 -2.301 274 HG LEU 75 HG LEU 75 5.118 2.376 -3.847 275 HD11 LEU 75 HD11 LEU 75 2.997 2.771 -4.635 276 HD12 LEU 75 HD12 LEU 75 3.886 3.478 -5.984 277 HD13 LEU 75 HD13 LEU 75 3.238 4.516 -4.713 278 HD21 LEU 75 HD21 LEU 75 6.429 3.039 -5.687 279 HD22 LEU 75 HD22 LEU 75 7.006 4.090 -4.394 280 HD23 LEU 75 HD23 LEU 75 5.876 4.712 -5.598 281 H ARG 76 HN ARG 76 3.397 5.929 -0.496 282 HA ARG 76 HA ARG 76 5.036 5.013 1.660 283 HB2 ARG 76 HB2 ARG 76 3.042 7.269 1.405 284 HB3 ARG 76 HB1 ARG 76 4.014 6.984 2.850 285 HG2 ARG 76 HG2 ARG 76 6.073 7.225 1.555 286 HG3 ARG 76 HG1 ARG 76 5.143 7.418 0.069 287 HD2 ARG 76 HD2 ARG 76 5.820 9.610 0.884 288 HD3 ARG 76 HD1 ARG 76 4.078 9.447 1.036 289 HE ARG 76 HE ARG 76 6.024 9.317 3.258 290 HH11 ARG 76 HH11 ARG 76 5.159 9.870 5.267 291 HH12 ARG 76 HH12 ARG 76 3.458 10.147 5.433 292 HH21 ARG 76 HH21 ARG 76 2.738 9.526 2.109 293 HH22 ARG 76 HH22 ARG 76 2.101 9.957 3.657 294 H LYS 77 HN LYS 77 1.554 5.104 1.018 295 HA LYS 77 HA LYS 77 0.717 4.258 3.588 296 HB2 LYS 77 HB2 LYS 77 -0.604 4.131 0.878 297 HB3 LYS 77 HB1 LYS 77 -1.414 3.670 2.379 298 HG2 LYS 77 HG2 LYS 77 -1.043 5.890 3.310 299 HG3 LYS 77 HG1 LYS 77 -0.126 6.366 1.885 300 HD2 LYS 77 HD2 LYS 77 -2.146 5.978 0.488 301 HD3 LYS 77 HD1 LYS 77 -3.053 5.597 1.953 302 HE2 LYS 77 HE2 LYS 77 -1.609 8.214 1.474 303 HE3 LYS 77 HE1 LYS 77 -3.333 7.968 1.222 304 HZ1 LYS 77 HZ1 LYS 77 -2.689 6.985 3.750 305 HZ2 LYS 77 HZ2 LYS 77 -3.654 8.330 3.367 306 HZ3 LYS 77 HZ3 LYS 77 -1.985 8.522 3.617 307 H LEU 78 HN LEU 78 2.065 2.531 0.914 308 HA LEU 78 HA LEU 78 1.104 -0.041 1.943 309 HB2 LEU 78 HB2 LEU 78 1.960 0.892 -0.616 310 HB3 LEU 78 HB1 LEU 78 3.091 -0.358 -0.093 311 HG LEU 78 HG LEU 78 1.106 -1.817 0.452 312 HD11 LEU 78 HD11 LEU 78 -0.283 0.617 -0.015 313 HD12 LEU 78 HD12 LEU 78 -0.968 -0.956 0.399 314 HD13 LEU 78 HD13 LEU 78 -0.760 -0.502 -1.293 315 HD21 LEU 78 HD21 LEU 78 2.019 -0.958 -2.212 316 HD22 LEU 78 HD22 LEU 78 0.449 -1.759 -2.217 317 HD23 LEU 78 HD23 LEU 78 1.858 -2.583 -1.548 318 H GLN 79 HN GLN 79 4.201 1.501 1.140 319 HA GLN 79 HA GLN 79 5.935 -0.268 2.322 320 HB2 GLN 79 HB2 GLN 79 6.655 1.698 1.020 321 HB3 GLN 79 HB1 GLN 79 6.164 2.753 2.346 322 HG2 GLN 79 HG2 GLN 79 7.800 1.720 3.829 323 HG3 GLN 79 HG1 GLN 79 8.236 0.551 2.586 324 HE21 GLN 79 HE21 GLN 79 10.358 1.997 3.448 325 HE22 GLN 79 HE22 GLN 79 10.773 3.222 2.350 326 H ALA 80 HN ALA 80 4.071 2.315 3.917 327 HA ALA 80 HA ALA 80 5.262 2.062 6.464 328 HB1 ALA 80 HB1 ALA 80 3.911 3.917 6.428 329 HB2 ALA 80 HB2 ALA 80 2.757 2.777 7.117 330 HB3 ALA 80 HB3 ALA 80 2.706 3.150 5.395 331 H ASP 81 HN ASP 81 2.598 0.371 4.875 332 HA ASP 81 HA ASP 81 1.901 -1.225 7.153 333 HB2 ASP 81 HB2 ASP 81 1.290 -1.500 4.202 334 HB3 ASP 81 HB1 ASP 81 0.685 -2.616 5.423 335 H GLY 82 HN GLY 82 4.249 -1.406 4.610 336 HA2 GLY 82 HA2 GLY 82 6.142 -2.743 4.489 337 HA3 GLY 82 HA1 GLY 82 5.571 -3.631 5.896 338 H ARG 83 HN ARG 83 3.274 -3.288 3.365 339 HA ARG 83 HA ARG 83 3.045 -6.085 2.987 340 HB2 ARG 83 HB2 ARG 83 2.033 -3.748 1.367 341 HB3 ARG 83 HB1 ARG 83 1.629 -5.425 1.000 342 HG2 ARG 83 HG2 ARG 83 0.658 -5.712 3.228 343 HG3 ARG 83 HG1 ARG 83 1.124 -4.069 3.663 344 HD2 ARG 83 HD2 ARG 83 -0.326 -3.178 1.885 345 HD3 ARG 83 HD1 ARG 83 -0.782 -4.817 1.429 346 HE ARG 83 HE ARG 83 -1.343 -4.498 4.162 347 HH11 ARG 83 HH11 ARG 83 -3.470 -4.053 4.816 348 HH12 ARG 83 HH12 ARG 83 -4.592 -3.370 3.689 349 HH21 ARG 83 HH21 ARG 83 -2.311 -3.262 1.079 350 HH22 ARG 83 HH22 ARG 83 -3.936 -2.921 1.573 351 H ILE 84 HN ILE 84 4.626 -3.549 1.061 352 HA ILE 84 HA ILE 84 5.342 -5.146 -1.127 353 HB ILE 84 HB ILE 84 7.164 -3.461 -1.486 354 HG12 ILE 84 HG12 ILE 84 5.993 -2.177 1.005 355 HG13 ILE 84 HG11 ILE 84 7.529 -3.045 0.982 356 HG21 ILE 84 HG21 ILE 84 4.281 -3.043 -1.307 357 HG22 ILE 84 HG22 ILE 84 5.406 -2.556 -2.575 358 HG23 ILE 84 HG23 ILE 84 5.178 -1.533 -1.157 359 HD11 ILE 84 HD11 ILE 84 8.211 -1.465 -0.932 360 HD12 ILE 84 HD12 ILE 84 8.115 -0.758 0.677 361 HD13 ILE 84 HD13 ILE 84 6.810 -0.496 -0.478 362 H THR 85 HN THR 85 7.783 -5.553 -1.652 363 HA THR 85 HA THR 85 8.632 -7.571 0.175 364 HB THR 85 HB THR 85 10.479 -7.922 -1.376 365 HG1 THR 85 HG1 THR 85 11.183 -6.296 -2.463 366 HG21 THR 85 HG21 THR 85 8.598 -7.432 -3.476 367 HG22 THR 85 HG22 THR 85 7.714 -7.960 -2.044 368 HG23 THR 85 HG23 THR 85 9.003 -8.965 -2.705 369 H GLU 86 HN GLU 86 10.685 -7.737 1.162 370 HA GLU 86 HA GLU 86 11.428 -5.413 2.672 371 HB2 GLU 86 HB2 GLU 86 12.711 -8.149 2.418 372 HB3 GLU 86 HB1 GLU 86 13.259 -6.904 3.538 373 HG2 GLU 86 HG2 GLU 86 11.816 -8.173 4.873 374 HG3 GLU 86 HG1 GLU 86 10.770 -6.864 4.338 375 H GLU 87 HN GLU 87 12.818 -7.191 -0.027 376 HA GLU 87 HA GLU 87 15.288 -5.876 -0.184 377 HB2 GLU 87 HB2 GLU 87 14.755 -7.984 -1.345 378 HB3 GLU 87 HB1 GLU 87 13.637 -7.117 -2.397 379 HG2 GLU 87 HG2 GLU 87 15.462 -5.742 -3.250 380 HG3 GLU 87 HG1 GLU 87 16.591 -6.523 -2.148 381 H GLN 88 HN GLN 88 12.178 -5.180 -1.785 382 HA GLN 88 HA GLN 88 13.118 -3.008 -3.331 383 HB2 GLN 88 HB2 GLN 88 10.370 -3.784 -2.362 384 HB3 GLN 88 HB1 GLN 88 10.665 -2.427 -3.451 385 HG2 GLN 88 HG2 GLN 88 11.660 -3.864 -5.099 386 HG3 GLN 88 HG1 GLN 88 11.646 -5.231 -3.989 387 HE21 GLN 88 HE21 GLN 88 10.286 -5.006 -6.656 388 HE22 GLN 88 HE22 GLN 88 8.636 -5.261 -6.345 389 H ALA 89 HN ALA 89 11.674 -3.164 -0.100 390 HA ALA 89 HA ALA 89 11.353 -0.393 0.290 391 HB1 ALA 89 HB1 ALA 89 10.651 -0.998 2.349 392 HB2 ALA 89 HB2 ALA 89 12.130 -1.897 2.685 393 HB3 ALA 89 HB3 ALA 89 10.827 -2.654 1.769 394 H LYS 90 HN LYS 90 14.090 -2.558 0.852 395 HA LYS 90 HA LYS 90 15.756 -0.689 2.165 396 HB2 LYS 90 HB2 LYS 90 16.081 -3.325 0.889 397 HB3 LYS 90 HB1 LYS 90 17.533 -2.327 0.911 398 HG2 LYS 90 HG2 LYS 90 17.261 -3.794 2.946 399 HG3 LYS 90 HG1 LYS 90 17.412 -2.076 3.310 400 HD2 LYS 90 HD2 LYS 90 15.266 -1.915 4.076 401 HD3 LYS 90 HD1 LYS 90 14.646 -3.047 2.879 402 HE2 LYS 90 HE2 LYS 90 14.501 -3.989 5.158 403 HE3 LYS 90 HE1 LYS 90 15.602 -4.928 4.150 404 HZ1 LYS 90 HZ1 LYS 90 17.439 -4.101 5.229 405 HZ2 LYS 90 HZ2 LYS 90 16.329 -4.210 6.508 406 HZ3 LYS 90 HZ3 LYS 90 16.642 -2.709 5.778 407 H ALA 91 HN ALA 91 15.325 -1.447 -1.270 408 HA ALA 91 HA ALA 91 17.463 0.102 -2.258 409 HB1 ALA 91 HB1 ALA 91 14.987 0.023 -3.878 410 HB2 ALA 91 HB2 ALA 91 15.641 -1.543 -3.403 411 HB3 ALA 91 HB3 ALA 91 16.638 -0.412 -4.318 412 H TYR 92 HN TYR 92 14.114 0.918 -1.489 413 HA TYR 92 HA TYR 92 14.084 3.546 -2.490 414 HB2 TYR 92 HB2 TYR 92 12.039 2.397 -1.828 415 HB3 TYR 92 HB1 TYR 92 12.584 2.341 -0.153 416 HD1 TYR 92 HD1 TYR 92 11.710 4.677 -2.926 417 HD2 TYR 92 HD2 TYR 92 12.236 4.175 1.307 418 HE1 TYR 92 HE1 TYR 92 10.751 6.931 -2.540 419 HE2 TYR 92 HE2 TYR 92 11.277 6.427 1.694 420 HH TYR 92 HH TYR 92 11.104 8.728 -0.348 421 H LYS 93 HN LYS 93 14.847 2.315 0.762 422 HA LYS 93 HA LYS 93 15.369 4.807 1.962 423 HB2 LYS 93 HB2 LYS 93 16.370 2.028 2.593 424 HB3 LYS 93 HB1 LYS 93 16.696 3.431 3.612 425 HG2 LYS 93 HG2 LYS 93 14.270 3.822 3.854 426 HG3 LYS 93 HG1 LYS 93 13.944 2.414 2.840 427 HD2 LYS 93 HD2 LYS 93 15.127 0.976 4.475 428 HD3 LYS 93 HD1 LYS 93 15.406 2.384 5.498 429 HE2 LYS 93 HE2 LYS 93 12.678 1.353 4.669 430 HE3 LYS 93 HE1 LYS 93 13.428 1.082 6.242 431 HZ1 LYS 93 HZ1 LYS 93 12.883 3.115 6.912 432 HZ2 LYS 93 HZ2 LYS 93 11.866 3.204 5.554 433 HZ3 LYS 93 HZ3 LYS 93 13.440 3.839 5.484 434 H GLU 94 HN GLU 94 17.488 2.564 0.208 435 HA GLU 94 HA GLU 94 19.922 3.897 0.750 436 HB2 GLU 94 HB2 GLU 94 19.068 2.124 -1.542 437 HB3 GLU 94 HB1 GLU 94 20.718 2.711 -1.328 438 HG2 GLU 94 HG2 GLU 94 19.206 1.226 0.826 439 HG3 GLU 94 HG1 GLU 94 20.256 0.417 -0.337 440 H TYR 95 HN TYR 95 17.480 4.309 -1.767 441 HA TYR 95 HA TYR 95 18.883 6.111 -3.410 442 HB2 TYR 95 HB2 TYR 95 16.785 5.102 -4.139 443 HB3 TYR 95 HB1 TYR 95 15.914 5.913 -2.837 444 HD1 TYR 95 HD1 TYR 95 17.996 6.544 -5.870 445 HD2 TYR 95 HD2 TYR 95 15.121 8.127 -3.098 446 HE1 TYR 95 HE1 TYR 95 17.718 8.550 -7.302 447 HE2 TYR 95 HE2 TYR 95 14.844 10.133 -4.531 448 HH TYR 95 HH TYR 95 16.721 10.512 -7.543 449 H ASN 96 HN ASN 96 16.736 6.625 -0.644 450 HA ASN 96 HA ASN 96 16.850 9.443 -0.602 451 HB2 ASN 96 HB2 ASN 96 15.204 8.119 0.682 452 HB3 ASN 96 HB1 ASN 96 16.501 7.536 1.724 453 HD21 ASN 96 HD21 ASN 96 14.612 8.843 3.127 454 HD22 ASN 96 HD22 ASN 96 15.082 10.429 3.512 455 H ASP 97 HN ASP 97 18.856 6.965 0.990 456 HA ASP 97 HA ASP 97 20.478 8.719 2.480 457 HB2 ASP 97 HB2 ASP 97 20.420 6.270 2.818 458 HB3 ASP 97 HB1 ASP 97 21.232 6.048 1.269 459 H LYS 98 HN LYS 98 20.901 7.377 -0.789 460 HA LYS 98 HA LYS 98 23.394 8.600 -1.327 461 HB2 LYS 98 HB2 LYS 98 21.180 7.645 -3.152 462 HB3 LYS 98 HB1 LYS 98 22.733 8.240 -3.740 463 HG2 LYS 98 HG2 LYS 98 23.899 6.513 -2.419 464 HG3 LYS 98 HG1 LYS 98 22.348 5.915 -1.831 465 HD2 LYS 98 HD2 LYS 98 21.664 5.398 -4.144 466 HD3 LYS 98 HD1 LYS 98 23.213 6.000 -4.737 467 HE2 LYS 98 HE2 LYS 98 24.391 4.277 -3.422 468 HE3 LYS 98 HE1 LYS 98 22.845 3.676 -2.822 469 HZ1 LYS 98 HZ1 LYS 98 23.700 2.404 -4.726 470 HZ2 LYS 98 HZ2 LYS 98 23.610 3.801 -5.688 471 HZ3 LYS 98 HZ3 LYS 98 22.194 3.116 -5.047 472 H ASN 99 HN ASN 99 20.060 9.645 -1.783 473 HA ASN 99 HA ASN 99 20.571 11.993 -3.261 474 HB2 ASN 99 HB2 ASN 99 18.332 10.810 -2.847 475 HB3 ASN 99 HB1 ASN 99 18.298 11.670 -1.310 476 HD21 ASN 99 HD21 ASN 99 16.552 13.104 -1.883 477 HD22 ASN 99 HD22 ASN 99 16.715 14.293 -3.083 478 H GLY 100 HN GLY 100 21.045 11.226 0.065 479 HA2 GLY 100 HA2 GLY 100 21.016 13.995 0.962 480 HA3 GLY 100 HA1 GLY 100 21.376 12.578 1.943 481 H GLY 101 HN GLY 101 23.115 12.290 -0.852 482 HA2 GLY 101 HA2 GLY 101 25.625 12.610 0.377 483 HA3 GLY 101 HA1 GLY 101 25.351 12.488 -1.358 484 H ALA 102 HN ALA 102 23.527 14.876 -1.214 485 HA ALA 102 HA ALA 102 25.358 16.843 -1.996 486 HB1 ALA 102 HB1 ALA 102 22.723 17.659 -0.841 487 HB2 ALA 102 HB2 ALA 102 22.737 16.646 -2.285 488 HB3 ALA 102 HB3 ALA 102 23.530 18.222 -2.305 489 H ASN 103 HN ASN 103 23.797 16.311 1.167 490 HA ASN 103 HA ASN 103 25.944 17.838 2.414 491 HB2 ASN 103 HB2 ASN 103 24.463 19.327 3.631 492 HB3 ASN 103 HB1 ASN 103 24.199 19.531 1.899 493 HD21 ASN 103 HD21 ASN 103 22.039 20.406 3.034 494 HD22 ASN 103 HD22 ASN 103 20.794 19.260 3.168 495 H ARG 104 HN ARG 104 25.803 17.720 4.818 496 HA ARG 104 HA ARG 104 24.678 15.110 5.634 497 HB2 ARG 104 HB2 ARG 104 27.025 16.637 6.789 498 HB3 ARG 104 HB1 ARG 104 26.456 15.063 7.335 499 HG2 ARG 104 HG2 ARG 104 27.186 15.461 4.446 500 HG3 ARG 104 HG1 ARG 104 28.455 15.193 5.639 501 HD2 ARG 104 HD2 ARG 104 26.072 13.357 5.232 502 HD3 ARG 104 HD1 ARG 104 27.675 13.081 4.565 503 HE ARG 104 HE ARG 104 28.021 13.448 7.300 504 HH11 ARG 104 HH11 ARG 104 28.157 11.661 8.694 505 HH12 ARG 104 HH12 ARG 104 27.472 10.143 8.216 506 HH21 ARG 104 HH21 ARG 104 26.349 11.311 5.150 507 HH22 ARG 104 HH22 ARG 104 26.449 9.946 6.211 508 H LYS 105 HN LYS 105 23.433 14.947 7.429 509 HA LYS 105 HA LYS 105 22.107 17.286 8.371 510 HB2 LYS 105 HB2 LYS 105 22.081 14.429 9.345 511 HB3 LYS 105 HB1 LYS 105 21.005 15.688 9.954 512 HG2 LYS 105 HG2 LYS 105 20.255 16.080 7.571 513 HG3 LYS 105 HG1 LYS 105 21.173 14.648 7.112 514 HD2 LYS 105 HD2 LYS 105 19.029 14.606 9.249 515 HD3 LYS 105 HD1 LYS 105 18.695 14.262 7.554 516 HE2 LYS 105 HE2 LYS 105 20.453 12.457 7.650 517 HE3 LYS 105 HE1 LYS 105 20.562 12.730 9.388 518 HZ1 LYS 105 HZ1 LYS 105 19.027 11.036 9.215 519 HZ2 LYS 105 HZ2 LYS 105 18.293 11.686 7.828 520 HZ3 LYS 105 HZ3 LYS 105 18.039 12.408 9.345 521 H VAL 106 HN VAL 106 22.216 18.303 10.349 522 HA VAL 106 HA VAL 106 24.096 17.411 12.374 523 HB VAL 106 HB VAL 106 25.574 18.650 10.869 524 HG11 VAL 106 HG11 VAL 106 25.152 20.976 10.313 525 HG12 VAL 106 HG12 VAL 106 23.702 20.993 11.319 526 HG13 VAL 106 HG13 VAL 106 23.742 20.025 9.843 527 HG21 VAL 106 HG21 VAL 106 26.533 20.063 12.503 528 HG22 VAL 106 HG22 VAL 106 25.628 18.888 13.455 529 HG23 VAL 106 HG23 VAL 106 24.963 20.497 13.177 530 H ASN 107 HN ASN 107 23.466 18.095 14.390 531 HA ASN 107 HA ASN 107 21.030 19.728 14.483 532 HB2 ASN 107 HB2 ASN 107 22.363 18.039 16.612 533 HB3 ASN 107 HB1 ASN 107 20.828 18.888 16.791 534 HD21 ASN 107 HD21 ASN 107 21.686 15.858 16.568 535 HD22 ASN 107 HD22 ASN 107 20.559 15.241 15.459 536 H ASP 108 HN ASP 108 21.409 21.844 14.635 537 HA ASP 108 HA ASP 108 23.119 22.799 16.817 538 HB2 ASP 108 HB2 ASP 108 24.674 22.895 15.021 539 HB3 ASP 108 HB1 ASP 108 23.461 23.526 13.909 Start of MODEL 3 1 HA THR 40 HA THR 40 -43.592 18.660 20.099 2 HB THR 40 HB THR 40 -43.301 20.351 21.630 3 HG1 THR 40 HG1 THR 40 -40.600 19.953 21.757 4 HG21 THR 40 HG21 THR 40 -43.245 19.131 23.648 5 HG22 THR 40 HG22 THR 40 -41.710 20.001 23.642 6 HG23 THR 40 HG23 THR 40 -41.759 18.293 23.202 7 H LYS 41 HN LYS 41 -40.554 18.350 21.821 8 HA LYS 41 HA LYS 41 -39.083 17.677 19.513 9 HB2 LYS 41 HB2 LYS 41 -38.434 17.426 22.454 10 HB3 LYS 41 HB1 LYS 41 -37.268 17.090 21.173 11 HG2 LYS 41 HG2 LYS 41 -37.576 19.375 20.292 12 HG3 LYS 41 HG1 LYS 41 -38.732 19.716 21.580 13 HD2 LYS 41 HD2 LYS 41 -36.975 19.278 23.266 14 HD3 LYS 41 HD1 LYS 41 -35.818 18.970 21.971 15 HE2 LYS 41 HE2 LYS 41 -37.319 21.576 22.374 16 HE3 LYS 41 HE1 LYS 41 -35.639 21.293 22.834 17 HZ1 LYS 41 HZ1 LYS 41 -36.818 21.397 20.131 18 HZ2 LYS 41 HZ2 LYS 41 -35.341 20.603 20.410 19 HZ3 LYS 41 HZ3 LYS 41 -35.497 22.262 20.746 20 H GLN 42 HN GLN 42 -40.463 15.694 22.097 21 HA GLN 42 HA GLN 42 -39.268 13.244 21.367 22 HB2 GLN 42 HB2 GLN 42 -41.858 13.878 22.793 23 HB3 GLN 42 HB1 GLN 42 -41.242 12.237 22.590 24 HG2 GLN 42 HG2 GLN 42 -39.226 12.769 23.808 25 HG3 GLN 42 HG1 GLN 42 -39.649 14.479 23.856 26 HE21 GLN 42 HE21 GLN 42 -39.222 12.624 26.173 27 HE22 GLN 42 HE22 GLN 42 -40.672 12.660 27.054 28 H LYS 43 HN LYS 43 -42.268 14.820 20.327 29 HA LYS 43 HA LYS 43 -43.326 12.694 18.820 30 HB2 LYS 43 HB2 LYS 43 -44.588 14.746 19.409 31 HB3 LYS 43 HB1 LYS 43 -43.581 15.659 18.286 32 HG2 LYS 43 HG2 LYS 43 -44.396 14.414 16.403 33 HG3 LYS 43 HG1 LYS 43 -45.188 13.236 17.447 34 HD2 LYS 43 HD2 LYS 43 -46.912 14.694 16.638 35 HD3 LYS 43 HD1 LYS 43 -46.628 15.140 18.319 36 HE2 LYS 43 HE2 LYS 43 -45.283 17.046 17.647 37 HE3 LYS 43 HE1 LYS 43 -45.344 16.545 15.957 38 HZ1 LYS 43 HZ1 LYS 43 -47.198 18.090 17.416 39 HZ2 LYS 43 HZ2 LYS 43 -47.962 16.677 16.863 40 HZ3 LYS 43 HZ3 LYS 43 -47.194 17.718 15.762 41 H GLU 44 HN GLU 44 -42.745 11.807 16.940 42 HA GLU 44 HA GLU 44 -41.516 11.366 15.049 43 HB2 GLU 44 HB2 GLU 44 -41.915 14.351 14.785 44 HB3 GLU 44 HB1 GLU 44 -41.200 13.353 13.519 45 HG2 GLU 44 HG2 GLU 44 -43.209 12.009 13.360 46 HG3 GLU 44 HG1 GLU 44 -43.917 12.828 14.750 47 H ALA 45 HN ALA 45 -40.114 11.895 17.538 48 HA ALA 45 HA ALA 45 -37.867 13.514 17.339 49 HB1 ALA 45 HB1 ALA 45 -38.209 12.423 19.414 50 HB2 ALA 45 HB2 ALA 45 -36.728 11.711 18.774 51 HB3 ALA 45 HB3 ALA 45 -38.251 10.828 18.662 52 H VAL 46 HN VAL 46 -37.960 10.024 16.521 53 HA VAL 46 HA VAL 46 -35.855 10.542 14.505 54 HB VAL 46 HB VAL 46 -34.993 9.271 16.431 55 HG11 VAL 46 HG11 VAL 46 -36.679 6.917 15.745 56 HG12 VAL 46 HG12 VAL 46 -37.465 8.215 16.645 57 HG13 VAL 46 HG13 VAL 46 -36.036 7.421 17.307 58 HG21 VAL 46 HG21 VAL 46 -34.235 8.810 14.063 59 HG22 VAL 46 HG22 VAL 46 -35.377 7.466 14.025 60 HG23 VAL 46 HG23 VAL 46 -34.031 7.448 15.165 61 H ASN 47 HN ASN 47 -36.037 9.524 12.533 62 HA ASN 47 HA ASN 47 -38.654 8.929 11.619 63 HB2 ASN 47 HB2 ASN 47 -35.979 8.361 10.324 64 HB3 ASN 47 HB1 ASN 47 -37.542 8.310 9.510 65 HD21 ASN 47 HD21 ASN 47 -38.864 10.542 10.142 66 HD22 ASN 47 HD22 ASN 47 -37.954 11.946 9.856 67 H ASP 48 HN ASP 48 -39.585 6.996 10.988 68 HA ASP 48 HA ASP 48 -38.189 4.495 11.627 69 HB2 ASP 48 HB2 ASP 48 -39.426 5.134 13.676 70 HB3 ASP 48 HB1 ASP 48 -40.919 5.188 12.739 71 H LYS 49 HN LYS 49 -39.166 5.937 9.195 72 HA LYS 49 HA LYS 49 -41.473 4.679 8.160 73 HB2 LYS 49 HB2 LYS 49 -39.081 5.936 6.804 74 HB3 LYS 49 HB1 LYS 49 -40.483 5.325 5.928 75 HG2 LYS 49 HG2 LYS 49 -41.957 6.868 7.039 76 HG3 LYS 49 HG1 LYS 49 -40.700 7.336 8.181 77 HD2 LYS 49 HD2 LYS 49 -40.798 9.105 6.587 78 HD3 LYS 49 HD1 LYS 49 -39.369 8.170 6.159 79 HE2 LYS 49 HE2 LYS 49 -40.703 8.740 4.160 80 HE3 LYS 49 HE1 LYS 49 -40.651 6.999 4.402 81 HZ1 LYS 49 HZ1 LYS 49 -42.817 8.215 5.810 82 HZ2 LYS 49 HZ2 LYS 49 -42.840 6.933 4.696 83 HZ3 LYS 49 HZ3 LYS 49 -42.895 8.539 4.147 84 H GLY 50 HN GLY 50 -38.046 3.805 8.079 85 HA2 GLY 50 HA2 GLY 50 -37.114 1.688 7.879 86 HA3 GLY 50 HA1 GLY 50 -38.721 1.033 7.579 87 H LYS 51 HN LYS 51 -38.474 3.627 5.604 88 HA LYS 51 HA LYS 51 -37.531 1.977 3.338 89 HB2 LYS 51 HB2 LYS 51 -39.436 4.333 3.355 90 HB3 LYS 51 HB1 LYS 51 -38.921 3.438 1.926 91 HG2 LYS 51 HG2 LYS 51 -39.918 1.388 2.792 92 HG3 LYS 51 HG1 LYS 51 -40.323 2.191 4.307 93 HD2 LYS 51 HD2 LYS 51 -42.351 2.252 3.119 94 HD3 LYS 51 HD1 LYS 51 -41.666 3.846 2.816 95 HE2 LYS 51 HE2 LYS 51 -42.511 2.867 0.728 96 HE3 LYS 51 HE1 LYS 51 -40.763 3.031 0.649 97 HZ1 LYS 51 HZ1 LYS 51 -40.580 0.857 0.359 98 HZ2 LYS 51 HZ2 LYS 51 -42.273 0.720 0.343 99 HZ3 LYS 51 HZ3 LYS 51 -41.420 0.549 1.801 100 H ALA 52 HN ALA 52 -36.799 4.642 5.282 101 HA ALA 52 HA ALA 52 -35.605 6.423 3.463 102 HB1 ALA 52 HB1 ALA 52 -35.998 6.366 6.189 103 HB2 ALA 52 HB2 ALA 52 -35.076 7.592 5.318 104 HB3 ALA 52 HB3 ALA 52 -34.245 6.219 6.050 105 H ALA 53 HN ALA 53 -34.300 3.599 5.164 106 HA ALA 53 HA ALA 53 -31.605 3.953 4.374 107 HB1 ALA 53 HB1 ALA 53 -32.405 2.420 6.192 108 HB2 ALA 53 HB2 ALA 53 -31.280 1.666 5.063 109 HB3 ALA 53 HB3 ALA 53 -33.007 1.333 4.939 110 H VAL 54 HN VAL 54 -30.533 3.457 2.554 111 HA VAL 54 HA VAL 54 -32.066 2.202 0.358 112 HB VAL 54 HB VAL 54 -29.759 4.153 0.230 113 HG11 VAL 54 HG11 VAL 54 -31.368 2.733 -1.909 114 HG12 VAL 54 HG12 VAL 54 -29.623 2.654 -1.653 115 HG13 VAL 54 HG13 VAL 54 -30.362 4.148 -2.231 116 HG21 VAL 54 HG21 VAL 54 -31.845 5.222 0.909 117 HG22 VAL 54 HG22 VAL 54 -32.715 4.413 -0.396 118 HG23 VAL 54 HG23 VAL 54 -31.503 5.637 -0.772 119 H VAL 55 HN VAL 55 -31.382 0.303 -0.380 120 HA VAL 55 HA VAL 55 -29.260 -1.124 0.800 121 HB VAL 55 HB VAL 55 -30.790 -1.566 -1.769 122 HG11 VAL 55 HG11 VAL 55 -28.519 -3.060 -0.512 123 HG12 VAL 55 HG12 VAL 55 -28.898 -2.827 -2.219 124 HG13 VAL 55 HG13 VAL 55 -29.817 -3.988 -1.261 125 HG21 VAL 55 HG21 VAL 55 -30.948 -3.334 0.628 126 HG22 VAL 55 HG22 VAL 55 -32.215 -2.858 -0.501 127 HG23 VAL 55 HG23 VAL 55 -31.693 -1.742 0.760 128 H LYS 56 HN LYS 56 -29.479 0.642 -2.267 129 HA LYS 56 HA LYS 56 -26.985 -0.086 -3.328 130 HB2 LYS 56 HB2 LYS 56 -28.853 1.125 -4.522 131 HB3 LYS 56 HB1 LYS 56 -28.354 2.588 -3.683 132 HG2 LYS 56 HG2 LYS 56 -27.133 2.804 -5.645 133 HG3 LYS 56 HG1 LYS 56 -25.965 1.949 -4.644 134 HD2 LYS 56 HD2 LYS 56 -25.918 0.651 -6.573 135 HD3 LYS 56 HD1 LYS 56 -27.138 -0.202 -5.634 136 HE2 LYS 56 HE2 LYS 56 -28.927 0.982 -6.822 137 HE3 LYS 56 HE1 LYS 56 -27.733 1.918 -7.719 138 HZ1 LYS 56 HZ1 LYS 56 -26.842 -0.343 -8.437 139 HZ2 LYS 56 HZ2 LYS 56 -28.294 0.190 -9.141 140 HZ3 LYS 56 HZ3 LYS 56 -28.324 -0.968 -7.900 141 H VAL 57 HN VAL 57 -27.890 2.560 -1.143 142 HA VAL 57 HA VAL 57 -25.404 3.881 -1.110 143 HB VAL 57 HB VAL 57 -27.592 3.692 0.965 144 HG11 VAL 57 HG11 VAL 57 -26.307 5.922 1.666 145 HG12 VAL 57 HG12 VAL 57 -24.929 5.053 0.989 146 HG13 VAL 57 HG13 VAL 57 -25.843 4.352 2.326 147 HG21 VAL 57 HG21 VAL 57 -28.191 5.895 0.140 148 HG22 VAL 57 HG22 VAL 57 -28.061 4.813 -1.247 149 HG23 VAL 57 HG23 VAL 57 -26.760 5.946 -0.887 150 H VAL 58 HN VAL 58 -26.685 1.269 0.927 151 HA VAL 58 HA VAL 58 -24.526 1.108 2.724 152 HB VAL 58 HB VAL 58 -26.494 -0.978 1.773 153 HG11 VAL 58 HG11 VAL 58 -24.805 -2.350 2.586 154 HG12 VAL 58 HG12 VAL 58 -25.678 -2.002 4.078 155 HG13 VAL 58 HG13 VAL 58 -24.199 -1.121 3.696 156 HG21 VAL 58 HG21 VAL 58 -26.283 0.480 4.420 157 HG22 VAL 58 HG22 VAL 58 -27.628 -0.501 3.838 158 HG23 VAL 58 HG23 VAL 58 -27.279 1.056 3.084 159 H GLU 59 HN GLU 59 -25.111 -0.559 -0.365 160 HA GLU 59 HA GLU 59 -22.741 -2.140 -0.284 161 HB2 GLU 59 HB2 GLU 59 -24.542 -1.272 -2.550 162 HB3 GLU 59 HB1 GLU 59 -23.167 -2.354 -2.771 163 HG2 GLU 59 HG2 GLU 59 -24.113 -3.967 -1.228 164 HG3 GLU 59 HG1 GLU 59 -25.420 -2.861 -0.809 165 H SER 60 HN SER 60 -23.544 1.018 -1.607 166 HA SER 60 HA SER 60 -21.176 1.480 -3.056 167 HB2 SER 60 HB2 SER 60 -21.833 3.820 -3.035 168 HB3 SER 60 HB1 SER 60 -23.255 2.812 -3.292 169 HG SER 60 HG SER 60 -22.378 3.940 -0.833 170 H GLN 61 HN GLN 61 -21.762 1.492 0.350 171 HA GLN 61 HA GLN 61 -19.846 3.359 1.203 172 HB2 GLN 61 HB2 GLN 61 -21.502 2.302 2.708 173 HB3 GLN 61 HB1 GLN 61 -20.660 0.763 2.541 174 HG2 GLN 61 HG2 GLN 61 -19.986 1.886 4.618 175 HG3 GLN 61 HG1 GLN 61 -18.620 1.782 3.512 176 HE21 GLN 61 HE21 GLN 61 -21.287 4.064 4.365 177 HE22 GLN 61 HE22 GLN 61 -20.349 5.462 4.148 178 H ALA 62 HN ALA 62 -19.530 -0.135 0.545 179 HA ALA 62 HA ALA 62 -16.806 -0.375 1.188 180 HB1 ALA 62 HB1 ALA 62 -18.641 -1.924 -0.632 181 HB2 ALA 62 HB2 ALA 62 -18.010 -2.389 0.949 182 HB3 ALA 62 HB3 ALA 62 -16.940 -2.353 -0.451 183 H GLU 63 HN GLU 63 -18.446 0.590 -1.777 184 HA GLU 63 HA GLU 63 -16.277 0.498 -3.542 185 HB2 GLU 63 HB2 GLU 63 -18.620 0.827 -4.251 186 HB3 GLU 63 HB1 GLU 63 -18.595 2.445 -3.552 187 HG2 GLU 63 HG2 GLU 63 -16.793 3.106 -5.078 188 HG3 GLU 63 HG1 GLU 63 -16.736 1.476 -5.743 189 H LEU 64 HN LEU 64 -17.299 3.039 -1.285 190 HA LEU 64 HA LEU 64 -15.586 5.070 -2.175 191 HB2 LEU 64 HB2 LEU 64 -17.411 5.444 -0.562 192 HB3 LEU 64 HB1 LEU 64 -16.551 4.484 0.639 193 HG LEU 64 HG LEU 64 -14.681 6.105 0.601 194 HD11 LEU 64 HD11 LEU 64 -15.477 8.367 -0.588 195 HD12 LEU 64 HD12 LEU 64 -16.325 7.223 -1.628 196 HD13 LEU 64 HD13 LEU 64 -14.572 7.132 -1.464 197 HD21 LEU 64 HD21 LEU 64 -16.693 8.095 1.029 198 HD22 LEU 64 HD22 LEU 64 -15.816 7.154 2.235 199 HD23 LEU 64 HD23 LEU 64 -17.329 6.541 1.568 200 H TYR 65 HN TYR 65 -15.060 2.518 0.260 201 HA TYR 65 HA TYR 65 -12.383 3.326 0.863 202 HB2 TYR 65 HB2 TYR 65 -13.909 0.764 1.351 203 HB3 TYR 65 HB1 TYR 65 -12.244 1.006 1.883 204 HD1 TYR 65 HD1 TYR 65 -15.747 1.899 2.426 205 HD2 TYR 65 HD2 TYR 65 -11.694 2.755 3.553 206 HE1 TYR 65 HE1 TYR 65 -16.564 3.136 4.413 207 HE2 TYR 65 HE2 TYR 65 -12.509 3.991 5.542 208 HH TYR 65 HH TYR 65 -14.292 4.782 6.609 209 H SER 66 HN SER 66 -13.851 1.202 -1.489 210 HA SER 66 HA SER 66 -11.595 -0.279 -2.278 211 HB2 SER 66 HB2 SER 66 -13.872 -0.868 -2.974 212 HB3 SER 66 HB1 SER 66 -13.970 0.606 -3.932 213 HG SER 66 HG SER 66 -13.051 -1.709 -4.697 214 H LEU 67 HN LEU 67 -12.802 2.880 -3.295 215 HA LEU 67 HA LEU 67 -11.114 3.310 -5.483 216 HB2 LEU 67 HB2 LEU 67 -13.034 4.750 -4.946 217 HB3 LEU 67 HB1 LEU 67 -12.211 5.318 -3.498 218 HG LEU 67 HG LEU 67 -10.401 6.265 -4.895 219 HD11 LEU 67 HD11 LEU 67 -11.973 4.880 -7.031 220 HD12 LEU 67 HD12 LEU 67 -10.227 5.048 -6.855 221 HD13 LEU 67 HD13 LEU 67 -11.187 6.406 -7.440 222 HD21 LEU 67 HD21 LEU 67 -13.163 7.107 -4.841 223 HD22 LEU 67 HD22 LEU 67 -12.412 7.613 -6.354 224 HD23 LEU 67 HD23 LEU 67 -11.705 8.099 -4.812 225 H GLU 68 HN GLU 68 -10.609 3.976 -2.024 226 HA GLU 68 HA GLU 68 -8.108 5.256 -2.270 227 HB2 GLU 68 HB2 GLU 68 -9.453 5.249 -0.190 228 HB3 GLU 68 HB1 GLU 68 -9.118 3.529 0.005 229 HG2 GLU 68 HG2 GLU 68 -6.717 3.982 0.155 230 HG3 GLU 68 HG1 GLU 68 -7.004 5.699 -0.125 231 H LYS 69 HN LYS 69 -9.000 1.853 -1.888 232 HA LYS 69 HA LYS 69 -6.322 0.856 -1.801 233 HB2 LYS 69 HB2 LYS 69 -8.895 -0.561 -2.552 234 HB3 LYS 69 HB1 LYS 69 -7.379 -1.338 -2.104 235 HG2 LYS 69 HG2 LYS 69 -8.942 0.519 -0.283 236 HG3 LYS 69 HG1 LYS 69 -9.046 -1.238 -0.227 237 HD2 LYS 69 HD2 LYS 69 -6.510 -1.238 0.120 238 HD3 LYS 69 HD1 LYS 69 -6.645 0.499 0.396 239 HE2 LYS 69 HE2 LYS 69 -8.185 -1.606 1.934 240 HE3 LYS 69 HE1 LYS 69 -6.733 -0.791 2.516 241 HZ1 LYS 69 HZ1 LYS 69 -7.832 1.286 2.489 242 HZ2 LYS 69 HZ2 LYS 69 -8.884 0.199 3.267 243 HZ3 LYS 69 HZ3 LYS 69 -9.171 0.659 1.656 244 H ASN 70 HN ASN 70 -8.117 2.207 -4.260 245 HA ASN 70 HA ASN 70 -7.896 2.302 -6.538 246 HB2 ASN 70 HB2 ASN 70 -5.145 1.205 -5.901 247 HB3 ASN 70 HB1 ASN 70 -5.629 1.937 -7.430 248 HD21 ASN 70 HD21 ASN 70 -3.727 2.792 -5.064 249 HD22 ASN 70 HD22 ASN 70 -4.171 4.410 -4.805 250 H GLU 71 HN GLU 71 -8.659 -0.314 -5.095 251 HA GLU 71 HA GLU 71 -9.041 -2.531 -5.637 252 HB2 GLU 71 HB2 GLU 71 -9.574 -1.059 -8.220 253 HB3 GLU 71 HB1 GLU 71 -9.995 -2.753 -7.964 254 HG2 GLU 71 HG2 GLU 71 -11.432 -2.185 -6.107 255 HG3 GLU 71 HG1 GLU 71 -10.899 -0.505 -6.147 256 H ASP 72 HN ASP 72 -6.532 -2.608 -5.353 257 HA ASP 72 HA ASP 72 -5.537 -4.298 -7.468 258 HB2 ASP 72 HB2 ASP 72 -5.012 -1.837 -8.108 259 HB3 ASP 72 HB1 ASP 72 -3.825 -1.912 -6.809 260 H ALA 73 HN ALA 73 -3.449 -5.295 -6.862 261 HA ALA 73 HA ALA 73 -3.442 -6.085 -4.137 262 HB1 ALA 73 HB1 ALA 73 -1.270 -6.395 -6.224 263 HB2 ALA 73 HB2 ALA 73 -2.595 -7.525 -5.948 264 HB3 ALA 73 HB3 ALA 73 -1.371 -7.280 -4.701 265 H SER 74 HN SER 74 -2.430 -5.265 -2.402 266 HA SER 74 HA SER 74 -1.001 -2.758 -2.679 267 HB2 SER 74 HB2 SER 74 -1.068 -2.665 -0.275 268 HB3 SER 74 HB1 SER 74 -2.643 -3.217 -0.837 269 HG SER 74 HG SER 74 -0.500 -4.824 0.110 270 H LEU 75 HN LEU 75 1.058 -2.422 -1.495 271 HA LEU 75 HA LEU 75 2.991 -4.423 -2.298 272 HB2 LEU 75 HB2 LEU 75 3.070 -1.632 -1.267 273 HB3 LEU 75 HB1 LEU 75 4.485 -2.641 -0.965 274 HG LEU 75 HG LEU 75 4.651 -3.159 -3.362 275 HD11 LEU 75 HD11 LEU 75 3.132 -1.603 -4.840 276 HD12 LEU 75 HD12 LEU 75 2.085 -1.594 -3.420 277 HD13 LEU 75 HD13 LEU 75 2.477 -3.117 -4.218 278 HD21 LEU 75 HD21 LEU 75 5.535 -1.076 -4.035 279 HD22 LEU 75 HD22 LEU 75 5.596 -0.992 -2.274 280 HD23 LEU 75 HD23 LEU 75 4.306 -0.168 -3.152 281 H ARG 76 HN ARG 76 1.438 -3.340 0.638 282 HA ARG 76 HA ARG 76 3.172 -4.368 2.558 283 HB2 ARG 76 HB2 ARG 76 1.277 -2.872 3.020 284 HB3 ARG 76 HB1 ARG 76 0.158 -4.176 2.627 285 HG2 ARG 76 HG2 ARG 76 0.994 -5.518 4.462 286 HG3 ARG 76 HG1 ARG 76 2.251 -4.328 4.807 287 HD2 ARG 76 HD2 ARG 76 0.408 -3.999 6.343 288 HD3 ARG 76 HD1 ARG 76 0.480 -2.636 5.241 289 HE ARG 76 HE ARG 76 -1.281 -4.632 4.235 290 HH11 ARG 76 HH11 ARG 76 -3.513 -4.225 4.376 291 HH12 ARG 76 HH12 ARG 76 -4.100 -3.024 5.479 292 HH21 ARG 76 HH21 ARG 76 -0.948 -2.187 6.660 293 HH22 ARG 76 HH22 ARG 76 -2.647 -1.871 6.772 294 H LYS 77 HN LYS 77 0.371 -5.953 0.967 295 HA LYS 77 HA LYS 77 0.586 -8.401 2.357 296 HB2 LYS 77 HB2 LYS 77 -0.440 -7.829 -0.435 297 HB3 LYS 77 HB1 LYS 77 -0.718 -9.323 0.463 298 HG2 LYS 77 HG2 LYS 77 -1.857 -8.068 2.236 299 HG3 LYS 77 HG1 LYS 77 -1.548 -6.557 1.384 300 HD2 LYS 77 HD2 LYS 77 -2.880 -7.358 -0.530 301 HD3 LYS 77 HD1 LYS 77 -3.191 -8.873 0.321 302 HE2 LYS 77 HE2 LYS 77 -5.082 -7.336 0.597 303 HE3 LYS 77 HE1 LYS 77 -4.288 -7.609 2.146 304 HZ1 LYS 77 HZ1 LYS 77 -3.143 -5.543 1.942 305 HZ2 LYS 77 HZ2 LYS 77 -4.794 -5.248 1.680 306 HZ3 LYS 77 HZ3 LYS 77 -3.720 -5.305 0.365 307 H LEU 78 HN LEU 78 1.500 -7.737 -1.000 308 HA LEU 78 HA LEU 78 2.899 -9.932 -1.697 309 HB2 LEU 78 HB2 LEU 78 3.185 -7.081 -2.373 310 HB3 LEU 78 HB1 LEU 78 4.635 -8.040 -2.657 311 HG LEU 78 HG LEU 78 3.296 -9.663 -3.968 312 HD11 LEU 78 HD11 LEU 78 1.106 -9.568 -3.167 313 HD12 LEU 78 HD12 LEU 78 0.969 -8.650 -4.667 314 HD13 LEU 78 HD13 LEU 78 1.091 -7.804 -3.125 315 HD21 LEU 78 HD21 LEU 78 2.525 -7.750 -5.715 316 HD22 LEU 78 HD22 LEU 78 4.211 -8.215 -5.484 317 HD23 LEU 78 HD23 LEU 78 3.568 -6.790 -4.667 318 H GLN 79 HN GLN 79 4.765 -7.159 -0.367 319 HA GLN 79 HA GLN 79 7.072 -8.574 0.207 320 HB2 GLN 79 HB2 GLN 79 6.862 -6.103 0.272 321 HB3 GLN 79 HB1 GLN 79 5.927 -6.236 1.759 322 HG2 GLN 79 HG2 GLN 79 7.838 -7.304 2.883 323 HG3 GLN 79 HG1 GLN 79 8.775 -7.213 1.393 324 HE21 GLN 79 HE21 GLN 79 9.598 -5.906 3.842 325 HE22 GLN 79 HE22 GLN 79 9.546 -4.230 3.572 326 H ALA 80 HN ALA 80 4.238 -8.038 2.296 327 HA ALA 80 HA ALA 80 5.287 -9.308 4.593 328 HB1 ALA 80 HB1 ALA 80 2.427 -8.995 3.658 329 HB2 ALA 80 HB2 ALA 80 3.297 -7.928 4.757 330 HB3 ALA 80 HB3 ALA 80 2.895 -9.571 5.256 331 H ASP 81 HN ASP 81 3.905 -10.506 1.638 332 HA ASP 81 HA ASP 81 3.606 -13.220 2.666 333 HB2 ASP 81 HB2 ASP 81 3.095 -11.970 -0.037 334 HB3 ASP 81 HB1 ASP 81 2.909 -13.694 0.283 335 H GLY 82 HN GLY 82 6.127 -11.362 1.571 336 HA2 GLY 82 HA2 GLY 82 8.338 -12.033 1.234 337 HA3 GLY 82 HA1 GLY 82 7.791 -13.702 1.132 338 H ARG 83 HN ARG 83 5.891 -11.764 -0.835 339 HA ARG 83 HA ARG 83 6.771 -12.960 -3.234 340 HB2 ARG 83 HB2 ARG 83 5.125 -10.464 -2.758 341 HB3 ARG 83 HB1 ARG 83 5.344 -11.208 -4.336 342 HG2 ARG 83 HG2 ARG 83 4.217 -12.722 -1.967 343 HG3 ARG 83 HG1 ARG 83 3.198 -11.830 -3.090 344 HD2 ARG 83 HD2 ARG 83 4.141 -13.201 -4.962 345 HD3 ARG 83 HD1 ARG 83 5.023 -14.157 -3.781 346 HE ARG 83 HE ARG 83 2.155 -14.226 -4.256 347 HH11 ARG 83 HH11 ARG 83 1.074 -15.917 -3.200 348 HH12 ARG 83 HH12 ARG 83 1.886 -16.822 -1.967 349 HH21 ARG 83 HH21 ARG 83 4.843 -15.031 -2.221 350 HH22 ARG 83 HH22 ARG 83 4.018 -16.322 -1.413 351 H ILE 84 HN ILE 84 7.523 -9.856 -1.735 352 HA ILE 84 HA ILE 84 9.665 -9.491 -3.744 353 HB ILE 84 HB ILE 84 9.343 -7.057 -3.528 354 HG12 ILE 84 HG12 ILE 84 6.845 -7.755 -1.958 355 HG13 ILE 84 HG11 ILE 84 8.330 -7.175 -1.205 356 HG21 ILE 84 HG21 ILE 84 6.871 -8.648 -4.260 357 HG22 ILE 84 HG22 ILE 84 8.204 -8.224 -5.333 358 HG23 ILE 84 HG23 ILE 84 7.142 -6.964 -4.705 359 HD11 ILE 84 HD11 ILE 84 7.857 -5.047 -1.754 360 HD12 ILE 84 HD12 ILE 84 6.270 -5.601 -2.288 361 HD13 ILE 84 HD13 ILE 84 7.598 -5.488 -3.442 362 H THR 85 HN THR 85 11.510 -8.186 -2.949 363 HA THR 85 HA THR 85 12.352 -9.148 -0.387 364 HB THR 85 HB THR 85 14.404 -7.870 -0.819 365 HG1 THR 85 HG1 THR 85 13.595 -6.045 -1.762 366 HG21 THR 85 HG21 THR 85 14.980 -8.897 -3.029 367 HG22 THR 85 HG22 THR 85 13.282 -9.339 -3.215 368 HG23 THR 85 HG23 THR 85 14.235 -10.028 -1.901 369 H GLU 86 HN GLU 86 12.821 -7.946 1.480 370 HA GLU 86 HA GLU 86 11.090 -5.635 1.854 371 HB2 GLU 86 HB2 GLU 86 11.632 -5.861 4.224 372 HB3 GLU 86 HB1 GLU 86 11.157 -7.426 3.563 373 HG2 GLU 86 HG2 GLU 86 13.574 -7.985 3.262 374 HG3 GLU 86 HG1 GLU 86 13.993 -6.462 4.046 375 H GLU 87 HN GLU 87 14.500 -6.414 1.645 376 HA GLU 87 HA GLU 87 15.538 -3.992 2.662 377 HB2 GLU 87 HB2 GLU 87 16.656 -6.011 0.713 378 HB3 GLU 87 HB1 GLU 87 17.578 -4.631 1.308 379 HG2 GLU 87 HG2 GLU 87 17.344 -5.388 3.600 380 HG3 GLU 87 HG1 GLU 87 16.256 -6.681 3.103 381 H GLN 88 HN GLN 88 14.623 -4.985 -0.627 382 HA GLN 88 HA GLN 88 15.547 -2.644 -1.933 383 HB2 GLN 88 HB2 GLN 88 14.973 -4.761 -3.100 384 HB3 GLN 88 HB1 GLN 88 13.269 -4.465 -2.750 385 HG2 GLN 88 HG2 GLN 88 13.340 -2.375 -4.020 386 HG3 GLN 88 HG1 GLN 88 15.065 -2.584 -4.310 387 HE21 GLN 88 HE21 GLN 88 13.748 -2.380 -6.628 388 HE22 GLN 88 HE22 GLN 88 13.465 -3.888 -7.354 389 H ALA 89 HN ALA 89 12.449 -3.507 -0.476 390 HA ALA 89 HA ALA 89 10.952 -1.288 -1.334 391 HB1 ALA 89 HB1 ALA 89 10.690 -3.403 0.690 392 HB2 ALA 89 HB2 ALA 89 9.487 -2.739 -0.415 393 HB3 ALA 89 HB3 ALA 89 9.853 -1.904 1.095 394 H LYS 90 HN LYS 90 13.035 -1.717 1.506 395 HA LYS 90 HA LYS 90 12.353 0.904 2.560 396 HB2 LYS 90 HB2 LYS 90 14.553 -1.006 3.388 397 HB3 LYS 90 HB1 LYS 90 14.003 0.399 4.295 398 HG2 LYS 90 HG2 LYS 90 12.264 -1.991 3.607 399 HG3 LYS 90 HG1 LYS 90 13.063 -1.754 5.158 400 HD2 LYS 90 HD2 LYS 90 11.813 0.458 5.333 401 HD3 LYS 90 HD1 LYS 90 10.874 -0.057 3.931 402 HE2 LYS 90 HE2 LYS 90 10.180 -2.095 5.130 403 HE3 LYS 90 HE1 LYS 90 11.096 -1.572 6.543 404 HZ1 LYS 90 HZ1 LYS 90 9.709 0.345 6.752 405 HZ2 LYS 90 HZ2 LYS 90 8.704 -1.021 6.645 406 HZ3 LYS 90 HZ3 LYS 90 8.906 -0.001 5.300 407 H ALA 91 HN ALA 91 14.730 -0.518 0.490 408 HA ALA 91 HA ALA 91 16.830 1.288 0.732 409 HB1 ALA 91 HB1 ALA 91 15.943 -0.056 -1.826 410 HB2 ALA 91 HB2 ALA 91 16.872 -0.854 -0.556 411 HB3 ALA 91 HB3 ALA 91 17.564 0.513 -1.430 412 H TYR 92 HN TYR 92 13.872 1.556 -1.272 413 HA TYR 92 HA TYR 92 14.651 3.792 -2.758 414 HB2 TYR 92 HB2 TYR 92 12.666 2.439 -3.277 415 HB3 TYR 92 HB1 TYR 92 11.887 3.014 -1.800 416 HD1 TYR 92 HD1 TYR 92 13.359 4.160 -5.035 417 HD2 TYR 92 HD2 TYR 92 10.756 5.094 -1.748 418 HE1 TYR 92 HE1 TYR 92 12.567 6.179 -6.236 419 HE2 TYR 92 HE2 TYR 92 9.964 7.114 -2.950 420 HH TYR 92 HH TYR 92 11.416 8.597 -5.206 421 H LYS 93 HN LYS 93 13.166 3.540 0.450 422 HA LYS 93 HA LYS 93 12.500 6.223 0.839 423 HB2 LYS 93 HB2 LYS 93 11.825 4.407 2.362 424 HB3 LYS 93 HB1 LYS 93 13.496 4.231 2.892 425 HG2 LYS 93 HG2 LYS 93 13.489 6.534 3.748 426 HG3 LYS 93 HG1 LYS 93 11.837 6.755 3.173 427 HD2 LYS 93 HD2 LYS 93 11.083 4.927 4.659 428 HD3 LYS 93 HD1 LYS 93 12.735 4.734 5.248 429 HE2 LYS 93 HE2 LYS 93 11.123 7.293 5.455 430 HE3 LYS 93 HE1 LYS 93 11.344 6.136 6.769 431 HZ1 LYS 93 HZ1 LYS 93 13.716 6.488 6.658 432 HZ2 LYS 93 HZ2 LYS 93 12.926 7.976 6.882 433 HZ3 LYS 93 HZ3 LYS 93 13.535 7.557 5.353 434 H GLU 94 HN GLU 94 15.573 4.540 1.536 435 HA GLU 94 HA GLU 94 16.978 6.533 2.784 436 HB2 GLU 94 HB2 GLU 94 17.831 4.243 2.349 437 HB3 GLU 94 HB1 GLU 94 18.079 4.681 0.659 438 HG2 GLU 94 HG2 GLU 94 19.642 6.453 1.321 439 HG3 GLU 94 HG1 GLU 94 19.362 6.081 3.023 440 H TYR 95 HN TYR 95 15.990 6.414 -0.550 441 HA TYR 95 HA TYR 95 17.822 8.155 -1.729 442 HB2 TYR 95 HB2 TYR 95 16.144 6.981 -3.051 443 HB3 TYR 95 HB1 TYR 95 14.856 7.896 -2.270 444 HD1 TYR 95 HD1 TYR 95 17.895 8.258 -4.404 445 HD2 TYR 95 HD2 TYR 95 14.234 10.043 -3.040 446 HE1 TYR 95 HE1 TYR 95 18.160 10.075 -6.071 447 HE2 TYR 95 HE2 TYR 95 14.499 11.859 -4.707 448 HH TYR 95 HH TYR 95 16.736 12.895 -5.951 449 H ASN 96 HN ASN 96 14.755 8.963 -0.070 450 HA ASN 96 HA ASN 96 14.730 11.693 -0.397 451 HB2 ASN 96 HB2 ASN 96 13.397 11.816 1.598 452 HB3 ASN 96 HB1 ASN 96 12.996 10.314 0.774 453 HD21 ASN 96 HD21 ASN 96 12.462 10.504 3.523 454 HD22 ASN 96 HD22 ASN 96 13.548 9.519 4.380 455 H ASP 97 HN ASP 97 16.895 9.795 1.521 456 HA ASP 97 HA ASP 97 17.798 11.695 3.374 457 HB2 ASP 97 HB2 ASP 97 18.368 9.227 3.318 458 HB3 ASP 97 HB1 ASP 97 19.531 9.606 2.046 459 H LYS 98 HN LYS 98 18.442 11.317 -0.031 460 HA LYS 98 HA LYS 98 20.830 12.764 -0.278 461 HB2 LYS 98 HB2 LYS 98 19.805 11.467 -2.107 462 HB3 LYS 98 HB1 LYS 98 18.494 12.638 -2.203 463 HG2 LYS 98 HG2 LYS 98 20.094 14.413 -2.784 464 HG3 LYS 98 HG1 LYS 98 21.431 13.270 -2.641 465 HD2 LYS 98 HD2 LYS 98 20.504 11.922 -4.466 466 HD3 LYS 98 HD1 LYS 98 19.116 13.003 -4.583 467 HE2 LYS 98 HE2 LYS 98 20.760 13.576 -6.307 468 HE3 LYS 98 HE1 LYS 98 20.653 14.880 -5.126 469 HZ1 LYS 98 HZ1 LYS 98 22.739 14.544 -4.454 470 HZ2 LYS 98 HZ2 LYS 98 22.936 13.674 -5.900 471 HZ3 LYS 98 HZ3 LYS 98 22.584 12.855 -4.456 472 H ASN 99 HN ASN 99 17.454 13.871 -0.279 473 HA ASN 99 HA ASN 99 18.042 16.615 -0.736 474 HB2 ASN 99 HB2 ASN 99 15.671 15.218 0.515 475 HB3 ASN 99 HB1 ASN 99 15.739 16.964 0.281 476 HD21 ASN 99 HD21 ASN 99 13.810 15.295 -1.074 477 HD22 ASN 99 HD22 ASN 99 14.157 15.345 -2.734 478 H GLY 100 HN GLY 100 17.885 14.586 2.095 479 HA2 GLY 100 HA2 GLY 100 17.852 16.554 4.110 480 HA3 GLY 100 HA1 GLY 100 18.486 14.923 4.298 481 H GLY 101 HN GLY 101 20.544 15.059 2.356 482 HA2 GLY 101 HA2 GLY 101 22.517 16.579 3.875 483 HA3 GLY 101 HA1 GLY 101 22.851 15.402 2.609 484 H ALA 102 HN ALA 102 20.468 17.407 1.509 485 HA ALA 102 HA ALA 102 22.072 18.587 -0.499 486 HB1 ALA 102 HB1 ALA 102 19.366 19.477 0.531 487 HB2 ALA 102 HB2 ALA 102 19.655 18.334 -0.780 488 HB3 ALA 102 HB3 ALA 102 20.114 20.026 -0.969 489 H ASN 103 HN ASN 103 20.678 20.008 2.456 490 HA ASN 103 HA ASN 103 22.653 22.203 2.248 491 HB2 ASN 103 HB2 ASN 103 21.096 23.599 3.465 492 HB3 ASN 103 HB1 ASN 103 20.267 22.895 2.079 493 HD21 ASN 103 HD21 ASN 103 18.478 23.642 3.893 494 HD22 ASN 103 HD22 ASN 103 17.940 22.358 4.864 495 H ARG 104 HN ARG 104 23.933 20.272 3.301 496 HA ARG 104 HA ARG 104 23.491 19.564 5.983 497 HB2 ARG 104 HB2 ARG 104 25.780 18.800 6.003 498 HB3 ARG 104 HB1 ARG 104 25.093 18.436 4.421 499 HG2 ARG 104 HG2 ARG 104 26.103 20.583 3.569 500 HG3 ARG 104 HG1 ARG 104 26.923 20.752 5.121 501 HD2 ARG 104 HD2 ARG 104 28.461 19.694 3.595 502 HD3 ARG 104 HD1 ARG 104 27.935 18.481 4.758 503 HE ARG 104 HE ARG 104 26.855 17.353 3.028 504 HH11 ARG 104 HH11 ARG 104 26.372 17.028 0.833 505 HH12 ARG 104 HH12 ARG 104 26.621 18.311 -0.303 506 HH21 ARG 104 HH21 ARG 104 27.795 20.546 2.075 507 HH22 ARG 104 HH22 ARG 104 27.426 20.303 0.401 508 H LYS 105 HN LYS 105 24.843 22.444 4.557 509 HA LYS 105 HA LYS 105 26.142 23.398 6.923 510 HB2 LYS 105 HB2 LYS 105 25.238 24.810 4.410 511 HB3 LYS 105 HB1 LYS 105 26.203 25.566 5.679 512 HG2 LYS 105 HG2 LYS 105 27.885 23.694 5.380 513 HG3 LYS 105 HG1 LYS 105 26.975 23.195 3.956 514 HD2 LYS 105 HD2 LYS 105 28.074 25.995 4.310 515 HD3 LYS 105 HD1 LYS 105 28.963 24.711 3.496 516 HE2 LYS 105 HE2 LYS 105 27.006 24.443 1.932 517 HE3 LYS 105 HE1 LYS 105 26.283 25.868 2.675 518 HZ1 LYS 105 HZ1 LYS 105 27.445 26.627 0.803 519 HZ2 LYS 105 HZ2 LYS 105 28.823 25.704 1.168 520 HZ3 LYS 105 HZ3 LYS 105 28.413 27.042 2.131 521 H VAL 106 HN VAL 106 25.476 25.141 8.259 522 HA VAL 106 HA VAL 106 22.560 25.642 8.293 523 HB VAL 106 HB VAL 106 22.661 25.608 10.759 524 HG11 VAL 106 HG11 VAL 106 23.764 23.103 9.449 525 HG12 VAL 106 HG12 VAL 106 22.062 23.551 9.531 526 HG13 VAL 106 HG13 VAL 106 22.945 23.168 11.009 527 HG21 VAL 106 HG21 VAL 106 24.916 26.198 11.234 528 HG22 VAL 106 HG22 VAL 106 25.551 24.927 10.190 529 HG23 VAL 106 HG23 VAL 106 24.783 24.508 11.721 530 H ASN 107 HN ASN 107 21.943 27.638 9.371 531 HA ASN 107 HA ASN 107 23.981 29.729 8.970 532 HB2 ASN 107 HB2 ASN 107 21.689 29.734 7.777 533 HB3 ASN 107 HB1 ASN 107 21.038 30.215 9.343 534 HD21 ASN 107 HD21 ASN 107 20.538 32.408 8.760 535 HD22 ASN 107 HD22 ASN 107 21.738 33.542 8.369 536 H ASP 108 HN ASP 108 23.336 27.914 11.417 537 HA ASP 108 HA ASP 108 23.314 30.125 13.380 538 HB2 ASP 108 HB2 ASP 108 21.854 27.486 13.495 539 HB3 ASP 108 HB1 ASP 108 22.156 28.468 14.926 Start of MODEL 4 1 HA THR 40 HA THR 40 -39.915 -22.241 -10.529 2 HB THR 40 HB THR 40 -37.418 -23.238 -10.858 3 HG1 THR 40 HG1 THR 40 -38.079 -23.804 -13.360 4 HG21 THR 40 HG21 THR 40 -38.591 -25.259 -11.859 5 HG22 THR 40 HG22 THR 40 -40.054 -24.274 -11.916 6 HG23 THR 40 HG23 THR 40 -39.295 -24.638 -10.366 7 H LYS 41 HN LYS 41 -39.136 -19.412 -11.435 8 HA LYS 41 HA LYS 41 -37.359 -18.899 -9.165 9 HB2 LYS 41 HB2 LYS 41 -36.810 -17.955 -11.988 10 HB3 LYS 41 HB1 LYS 41 -36.010 -17.310 -10.557 11 HG2 LYS 41 HG2 LYS 41 -35.177 -19.576 -10.007 12 HG3 LYS 41 HG1 LYS 41 -35.955 -20.205 -11.461 13 HD2 LYS 41 HD2 LYS 41 -34.578 -18.727 -12.860 14 HD3 LYS 41 HD1 LYS 41 -33.817 -18.055 -11.418 15 HE2 LYS 41 HE2 LYS 41 -32.371 -19.777 -12.395 16 HE3 LYS 41 HE1 LYS 41 -32.978 -20.319 -10.830 17 HZ1 LYS 41 HZ1 LYS 41 -34.851 -21.093 -12.712 18 HZ2 LYS 41 HZ2 LYS 41 -33.780 -22.094 -11.852 19 HZ3 LYS 41 HZ3 LYS 41 -33.343 -21.489 -13.378 20 H GLN 42 HN GLN 42 -38.122 -17.223 -8.002 21 HA GLN 42 HA GLN 42 -39.590 -15.542 -7.387 22 HB2 GLN 42 HB2 GLN 42 -38.543 -14.514 -10.034 23 HB3 GLN 42 HB1 GLN 42 -39.414 -13.533 -8.854 24 HG2 GLN 42 HG2 GLN 42 -37.691 -14.043 -7.160 25 HG3 GLN 42 HG1 GLN 42 -36.815 -15.008 -8.346 26 HE21 GLN 42 HE21 GLN 42 -34.961 -13.721 -8.695 27 HE22 GLN 42 HE22 GLN 42 -35.020 -12.107 -9.218 28 H LYS 43 HN LYS 43 -41.171 -17.488 -8.119 29 HA LYS 43 HA LYS 43 -42.736 -17.227 -10.415 30 HB2 LYS 43 HB2 LYS 43 -43.419 -18.318 -7.681 31 HB3 LYS 43 HB1 LYS 43 -44.490 -18.453 -9.075 32 HG2 LYS 43 HG2 LYS 43 -42.729 -19.645 -10.322 33 HG3 LYS 43 HG1 LYS 43 -41.649 -19.508 -8.934 34 HD2 LYS 43 HD2 LYS 43 -43.244 -20.794 -7.559 35 HD3 LYS 43 HD1 LYS 43 -44.324 -20.937 -8.945 36 HE2 LYS 43 HE2 LYS 43 -42.574 -22.148 -10.190 37 HE3 LYS 43 HE1 LYS 43 -41.488 -22.000 -8.809 38 HZ1 LYS 43 HZ1 LYS 43 -43.832 -23.036 -7.805 39 HZ2 LYS 43 HZ2 LYS 43 -42.371 -23.869 -8.053 40 HZ3 LYS 43 HZ3 LYS 43 -43.571 -23.877 -9.255 41 H GLU 44 HN GLU 44 -43.157 -15.708 -7.202 42 HA GLU 44 HA GLU 44 -45.463 -14.235 -8.263 43 HB2 GLU 44 HB2 GLU 44 -45.805 -13.522 -5.920 44 HB3 GLU 44 HB1 GLU 44 -45.782 -15.276 -6.085 45 HG2 GLU 44 HG2 GLU 44 -43.331 -15.209 -5.453 46 HG3 GLU 44 HG1 GLU 44 -43.548 -13.501 -5.071 47 H ALA 45 HN ALA 45 -45.220 -12.278 -9.062 48 HA ALA 45 HA ALA 45 -42.774 -10.930 -9.222 49 HB1 ALA 45 HB1 ALA 45 -44.790 -10.604 -10.708 50 HB2 ALA 45 HB2 ALA 45 -43.994 -9.115 -10.196 51 HB3 ALA 45 HB3 ALA 45 -45.492 -9.626 -9.419 52 H VAL 46 HN VAL 46 -45.471 -10.520 -6.951 53 HA VAL 46 HA VAL 46 -44.222 -8.266 -5.645 54 HB VAL 46 HB VAL 46 -46.668 -8.492 -5.700 55 HG11 VAL 46 HG11 VAL 46 -47.750 -10.392 -5.111 56 HG12 VAL 46 HG12 VAL 46 -46.784 -10.587 -3.651 57 HG13 VAL 46 HG13 VAL 46 -46.168 -11.165 -5.199 58 HG21 VAL 46 HG21 VAL 46 -45.286 -7.490 -3.706 59 HG22 VAL 46 HG22 VAL 46 -45.870 -8.904 -2.829 60 HG23 VAL 46 HG23 VAL 46 -47.019 -7.751 -3.507 61 H ASN 47 HN ASN 47 -42.204 -8.958 -4.961 62 HA ASN 47 HA ASN 47 -42.100 -11.198 -3.054 63 HB2 ASN 47 HB2 ASN 47 -39.879 -9.673 -4.436 64 HB3 ASN 47 HB1 ASN 47 -39.652 -11.036 -3.340 65 HD21 ASN 47 HD21 ASN 47 -39.258 -10.621 -6.428 66 HD22 ASN 47 HD22 ASN 47 -40.009 -11.993 -7.088 67 H ASP 48 HN ASP 48 -41.143 -10.949 -1.001 68 HA ASP 48 HA ASP 48 -41.175 -8.170 0.010 69 HB2 ASP 48 HB2 ASP 48 -42.846 -9.707 1.011 70 HB3 ASP 48 HB1 ASP 48 -41.532 -10.753 1.544 71 H LYS 49 HN LYS 49 -38.898 -8.359 -1.081 72 HA LYS 49 HA LYS 49 -36.963 -9.595 0.755 73 HB2 LYS 49 HB2 LYS 49 -36.634 -8.448 -2.023 74 HB3 LYS 49 HB1 LYS 49 -35.311 -9.089 -1.051 75 HG2 LYS 49 HG2 LYS 49 -36.472 -11.270 -0.921 76 HG3 LYS 49 HG1 LYS 49 -37.775 -10.628 -1.921 77 HD2 LYS 49 HD2 LYS 49 -36.195 -10.231 -3.759 78 HD3 LYS 49 HD1 LYS 49 -34.868 -10.826 -2.762 79 HE2 LYS 49 HE2 LYS 49 -35.641 -12.607 -4.254 80 HE3 LYS 49 HE1 LYS 49 -36.023 -13.023 -2.584 81 HZ1 LYS 49 HZ1 LYS 49 -38.046 -11.514 -4.022 82 HZ2 LYS 49 HZ2 LYS 49 -38.221 -12.805 -2.932 83 HZ3 LYS 49 HZ3 LYS 49 -37.800 -13.108 -4.550 84 H GLY 50 HN GLY 50 -38.553 -6.809 0.650 85 HA2 GLY 50 HA2 GLY 50 -38.187 -4.787 1.727 86 HA3 GLY 50 HA1 GLY 50 -36.618 -5.403 2.235 87 H LYS 51 HN LYS 51 -37.750 -5.172 -1.094 88 HA LYS 51 HA LYS 51 -35.386 -3.915 -2.010 89 HB2 LYS 51 HB2 LYS 51 -38.115 -4.208 -3.277 90 HB3 LYS 51 HB1 LYS 51 -36.716 -3.533 -4.114 91 HG2 LYS 51 HG2 LYS 51 -35.465 -5.623 -3.707 92 HG3 LYS 51 HG1 LYS 51 -36.870 -6.298 -2.883 93 HD2 LYS 51 HD2 LYS 51 -38.201 -6.072 -4.944 94 HD3 LYS 51 HD1 LYS 51 -36.803 -5.389 -5.774 95 HE2 LYS 51 HE2 LYS 51 -35.544 -7.474 -5.386 96 HE3 LYS 51 HE1 LYS 51 -36.937 -8.158 -4.549 97 HZ1 LYS 51 HZ1 LYS 51 -36.554 -8.607 -7.073 98 HZ2 LYS 51 HZ2 LYS 51 -37.300 -7.093 -7.256 99 HZ3 LYS 51 HZ3 LYS 51 -38.120 -8.358 -6.474 100 H ALA 52 HN ALA 52 -38.052 -2.653 -0.352 101 HA ALA 52 HA ALA 52 -38.358 -0.109 -1.504 102 HB1 ALA 52 HB1 ALA 52 -39.001 0.537 0.919 103 HB2 ALA 52 HB2 ALA 52 -38.754 -1.171 1.286 104 HB3 ALA 52 HB3 ALA 52 -39.971 -0.690 0.104 105 H ALA 53 HN ALA 53 -36.041 -1.342 0.864 106 HA ALA 53 HA ALA 53 -34.855 1.100 1.602 107 HB1 ALA 53 HB1 ALA 53 -32.975 -0.231 2.353 108 HB2 ALA 53 HB2 ALA 53 -33.480 -1.585 1.344 109 HB3 ALA 53 HB3 ALA 53 -34.462 -1.102 2.727 110 H VAL 54 HN VAL 54 -33.029 2.193 0.818 111 HA VAL 54 HA VAL 54 -32.755 2.231 -2.018 112 HB VAL 54 HB VAL 54 -31.128 3.543 0.169 113 HG11 VAL 54 HG11 VAL 54 -30.796 5.048 -2.099 114 HG12 VAL 54 HG12 VAL 54 -30.789 3.413 -2.759 115 HG13 VAL 54 HG13 VAL 54 -29.629 3.864 -1.509 116 HG21 VAL 54 HG21 VAL 54 -33.676 4.058 -0.371 117 HG22 VAL 54 HG22 VAL 54 -32.979 4.949 -1.722 118 HG23 VAL 54 HG23 VAL 54 -32.541 5.371 -0.067 119 H VAL 55 HN VAL 55 -31.490 1.062 -3.284 120 HA VAL 55 HA VAL 55 -29.835 -1.021 -2.333 121 HB VAL 55 HB VAL 55 -30.063 0.291 -5.047 122 HG11 VAL 55 HG11 VAL 55 -28.231 -1.809 -4.001 123 HG12 VAL 55 HG12 VAL 55 -28.005 -0.684 -5.340 124 HG13 VAL 55 HG13 VAL 55 -28.989 -2.132 -5.561 125 HG21 VAL 55 HG21 VAL 55 -31.286 -1.797 -5.575 126 HG22 VAL 55 HG22 VAL 55 -32.054 -0.928 -4.248 127 HG23 VAL 55 HG23 VAL 55 -31.059 -2.344 -3.914 128 H LYS 56 HN LYS 56 -29.094 2.219 -3.563 129 HA LYS 56 HA LYS 56 -26.318 2.026 -3.698 130 HB2 LYS 56 HB2 LYS 56 -28.273 4.243 -3.382 131 HB3 LYS 56 HB1 LYS 56 -26.595 4.599 -2.979 132 HG2 LYS 56 HG2 LYS 56 -27.013 5.091 -5.345 133 HG3 LYS 56 HG1 LYS 56 -25.894 3.737 -5.203 134 HD2 LYS 56 HD2 LYS 56 -27.733 2.150 -5.565 135 HD3 LYS 56 HD1 LYS 56 -28.886 3.482 -5.638 136 HE2 LYS 56 HE2 LYS 56 -27.720 4.390 -7.613 137 HE3 LYS 56 HE1 LYS 56 -26.561 3.062 -7.541 138 HZ1 LYS 56 HZ1 LYS 56 -28.594 1.568 -7.664 139 HZ2 LYS 56 HZ2 LYS 56 -28.145 2.381 -9.087 140 HZ3 LYS 56 HZ3 LYS 56 -29.449 2.948 -8.157 141 H VAL 57 HN VAL 57 -28.377 2.153 -0.920 142 HA VAL 57 HA VAL 57 -26.719 3.266 1.014 143 HB VAL 57 HB VAL 57 -29.115 2.417 1.283 144 HG11 VAL 57 HG11 VAL 57 -28.243 0.056 0.465 145 HG12 VAL 57 HG12 VAL 57 -29.523 0.160 1.676 146 HG13 VAL 57 HG13 VAL 57 -27.862 -0.158 2.175 147 HG21 VAL 57 HG21 VAL 57 -28.766 1.929 3.682 148 HG22 VAL 57 HG22 VAL 57 -27.755 3.276 3.159 149 HG23 VAL 57 HG23 VAL 57 -27.046 1.676 3.379 150 H VAL 58 HN VAL 58 -26.471 0.225 -0.648 151 HA VAL 58 HA VAL 58 -24.795 -1.149 1.178 152 HB VAL 58 HB VAL 58 -24.211 -2.566 -0.749 153 HG11 VAL 58 HG11 VAL 58 -26.343 -2.953 0.392 154 HG12 VAL 58 HG12 VAL 58 -26.532 -3.239 -1.338 155 HG13 VAL 58 HG13 VAL 58 -27.128 -1.742 -0.622 156 HG21 VAL 58 HG21 VAL 58 -25.768 -1.665 -2.834 157 HG22 VAL 58 HG22 VAL 58 -24.024 -1.438 -2.714 158 HG23 VAL 58 HG23 VAL 58 -25.119 -0.160 -2.187 159 H GLU 59 HN GLU 59 -24.216 1.442 -1.030 160 HA GLU 59 HA GLU 59 -21.484 1.091 -1.568 161 HB2 GLU 59 HB2 GLU 59 -23.171 3.587 -1.333 162 HB3 GLU 59 HB1 GLU 59 -21.489 3.603 -1.866 163 HG2 GLU 59 HG2 GLU 59 -22.008 2.155 -3.739 164 HG3 GLU 59 HG1 GLU 59 -23.659 1.932 -3.161 165 H SER 60 HN SER 60 -23.147 2.560 1.175 166 HA SER 60 HA SER 60 -20.861 3.678 2.429 167 HB2 SER 60 HB2 SER 60 -22.228 3.710 4.465 168 HB3 SER 60 HB1 SER 60 -23.174 4.254 3.084 169 HG SER 60 HG SER 60 -23.343 1.909 4.581 170 H GLN 61 HN GLN 61 -22.394 0.503 2.603 171 HA GLN 61 HA GLN 61 -20.684 -0.564 4.624 172 HB2 GLN 61 HB2 GLN 61 -22.916 -1.507 4.068 173 HB3 GLN 61 HB1 GLN 61 -22.279 -2.031 2.510 174 HG2 GLN 61 HG2 GLN 61 -20.625 -3.447 3.623 175 HG3 GLN 61 HG1 GLN 61 -21.162 -2.871 5.200 176 HE21 GLN 61 HE21 GLN 61 -21.846 -5.033 5.870 177 HE22 GLN 61 HE22 GLN 61 -23.227 -5.763 5.205 178 H ALA 62 HN ALA 62 -20.644 -0.538 1.102 179 HA ALA 62 HA ALA 62 -18.552 -2.355 0.665 180 HB1 ALA 62 HB1 ALA 62 -18.991 0.060 -1.070 181 HB2 ALA 62 HB2 ALA 62 -20.172 -1.250 -1.022 182 HB3 ALA 62 HB3 ALA 62 -18.518 -1.572 -1.542 183 H GLU 63 HN GLU 63 -18.477 1.141 1.295 184 HA GLU 63 HA GLU 63 -15.743 1.541 0.750 185 HB2 GLU 63 HB2 GLU 63 -17.642 2.965 2.622 186 HB3 GLU 63 HB1 GLU 63 -15.990 3.510 2.321 187 HG2 GLU 63 HG2 GLU 63 -16.450 3.767 -0.048 188 HG3 GLU 63 HG1 GLU 63 -18.053 3.060 0.146 189 H LEU 64 HN LEU 64 -17.424 0.585 3.729 190 HA LEU 64 HA LEU 64 -15.123 0.588 5.394 191 HB2 LEU 64 HB2 LEU 64 -17.755 -0.890 5.586 192 HB3 LEU 64 HB1 LEU 64 -16.524 -0.941 6.846 193 HG LEU 64 HG LEU 64 -17.758 1.614 5.771 194 HD11 LEU 64 HD11 LEU 64 -18.517 1.231 8.441 195 HD12 LEU 64 HD12 LEU 64 -18.756 -0.339 7.674 196 HD13 LEU 64 HD13 LEU 64 -19.554 1.092 7.023 197 HD21 LEU 64 HD21 LEU 64 -16.783 2.094 8.309 198 HD22 LEU 64 HD22 LEU 64 -15.941 2.496 6.813 199 HD23 LEU 64 HD23 LEU 64 -15.576 0.990 7.654 200 H TYR 65 HN TYR 65 -16.663 -1.869 3.383 201 HA TYR 65 HA TYR 65 -15.075 -4.067 4.184 202 HB2 TYR 65 HB2 TYR 65 -17.218 -4.241 2.916 203 HB3 TYR 65 HB1 TYR 65 -16.383 -3.622 1.491 204 HD1 TYR 65 HD1 TYR 65 -16.398 -6.382 3.990 205 HD2 TYR 65 HD2 TYR 65 -15.013 -5.040 0.151 206 HE1 TYR 65 HE1 TYR 65 -15.576 -8.667 3.488 207 HE2 TYR 65 HE2 TYR 65 -14.190 -7.326 -0.349 208 HH TYR 65 HH TYR 65 -13.413 -9.401 1.299 209 H SER 66 HN SER 66 -14.682 -1.637 1.645 210 HA SER 66 HA SER 66 -12.502 -2.770 0.297 211 HB2 SER 66 HB2 SER 66 -13.749 -0.864 -0.591 212 HB3 SER 66 HB1 SER 66 -13.182 0.147 0.735 213 HG SER 66 HG SER 66 -11.192 0.155 -0.105 214 H LEU 67 HN LEU 67 -12.568 -0.530 3.067 215 HA LEU 67 HA LEU 67 -9.765 -0.235 3.295 216 HB2 LEU 67 HB2 LEU 67 -11.987 0.014 5.330 217 HB3 LEU 67 HB1 LEU 67 -10.309 0.425 5.677 218 HG LEU 67 HG LEU 67 -11.920 1.626 3.405 219 HD11 LEU 67 HD11 LEU 67 -11.702 2.318 6.274 220 HD12 LEU 67 HD12 LEU 67 -12.976 2.699 5.116 221 HD13 LEU 67 HD13 LEU 67 -11.500 3.665 5.153 222 HD21 LEU 67 HD21 LEU 67 -9.740 2.044 2.772 223 HD22 LEU 67 HD22 LEU 67 -9.122 1.936 4.419 224 HD23 LEU 67 HD23 LEU 67 -9.955 3.394 3.883 225 H GLU 68 HN GLU 68 -12.049 -2.549 4.663 226 HA GLU 68 HA GLU 68 -10.268 -3.853 6.420 227 HB2 GLU 68 HB2 GLU 68 -12.788 -4.782 5.037 228 HB3 GLU 68 HB1 GLU 68 -11.919 -5.760 6.220 229 HG2 GLU 68 HG2 GLU 68 -12.209 -4.069 7.927 230 HG3 GLU 68 HG1 GLU 68 -12.900 -2.946 6.758 231 H LYS 69 HN LYS 69 -11.027 -4.410 2.989 232 HA LYS 69 HA LYS 69 -8.997 -6.548 2.931 233 HB2 LYS 69 HB2 LYS 69 -11.368 -5.897 1.197 234 HB3 LYS 69 HB1 LYS 69 -10.060 -6.914 0.598 235 HG2 LYS 69 HG2 LYS 69 -11.231 -7.519 3.290 236 HG3 LYS 69 HG1 LYS 69 -12.139 -7.987 1.854 237 HD2 LYS 69 HD2 LYS 69 -9.221 -8.679 2.029 238 HD3 LYS 69 HD1 LYS 69 -10.393 -9.660 2.906 239 HE2 LYS 69 HE2 LYS 69 -11.649 -10.017 0.794 240 HE3 LYS 69 HE1 LYS 69 -10.435 -9.083 -0.076 241 HZ1 LYS 69 HZ1 LYS 69 -10.131 -11.692 1.270 242 HZ2 LYS 69 HZ2 LYS 69 -8.783 -10.718 0.917 243 HZ3 LYS 69 HZ3 LYS 69 -9.778 -11.283 -0.339 244 H ASN 70 HN ASN 70 -8.982 -3.371 2.644 245 HA ASN 70 HA ASN 70 -7.804 -1.807 1.424 246 HB2 ASN 70 HB2 ASN 70 -6.055 -3.345 2.505 247 HB3 ASN 70 HB1 ASN 70 -5.862 -4.047 0.900 248 HD21 ASN 70 HD21 ASN 70 -3.804 -3.168 0.362 249 HD22 ASN 70 HD22 ASN 70 -3.509 -1.502 0.243 250 H GLU 71 HN GLU 71 -9.828 -2.891 -0.144 251 HA GLU 71 HA GLU 71 -8.965 -3.984 -2.598 252 HB2 GLU 71 HB2 GLU 71 -11.410 -2.364 -1.873 253 HB3 GLU 71 HB1 GLU 71 -11.160 -3.067 -3.469 254 HG2 GLU 71 HG2 GLU 71 -11.062 -5.299 -2.538 255 HG3 GLU 71 HG1 GLU 71 -11.101 -4.662 -0.895 256 H ASP 72 HN ASP 72 -9.380 -0.636 -1.524 257 HA ASP 72 HA ASP 72 -7.861 0.233 -3.906 258 HB2 ASP 72 HB2 ASP 72 -10.359 1.472 -2.745 259 HB3 ASP 72 HB1 ASP 72 -9.279 2.336 -3.837 260 H ALA 73 HN ALA 73 -6.046 1.279 -3.343 261 HA ALA 73 HA ALA 73 -6.051 3.098 -1.072 262 HB1 ALA 73 HB1 ALA 73 -4.575 0.491 -1.086 263 HB2 ALA 73 HB2 ALA 73 -5.441 1.282 0.232 264 HB3 ALA 73 HB3 ALA 73 -3.868 1.889 -0.276 265 H SER 74 HN SER 74 -4.226 4.483 -1.013 266 HA SER 74 HA SER 74 -3.152 5.091 -3.611 267 HB2 SER 74 HB2 SER 74 -3.738 6.899 -2.096 268 HB3 SER 74 HB1 SER 74 -2.615 6.290 -0.884 269 HG SER 74 HG SER 74 -1.685 6.817 -3.474 270 H LEU 75 HN LEU 75 -0.909 5.252 -4.115 271 HA LEU 75 HA LEU 75 0.610 2.952 -3.421 272 HB2 LEU 75 HB2 LEU 75 1.076 5.395 -5.022 273 HB3 LEU 75 HB1 LEU 75 2.522 4.633 -4.354 274 HG LEU 75 HG LEU 75 1.875 2.483 -5.340 275 HD11 LEU 75 HD11 LEU 75 -0.632 3.997 -5.856 276 HD12 LEU 75 HD12 LEU 75 -0.403 2.282 -5.510 277 HD13 LEU 75 HD13 LEU 75 -0.109 2.900 -7.135 278 HD21 LEU 75 HD21 LEU 75 1.756 4.799 -7.301 279 HD22 LEU 75 HD22 LEU 75 2.097 3.124 -7.734 280 HD23 LEU 75 HD23 LEU 75 3.221 4.015 -6.709 281 H ARG 76 HN ARG 76 0.786 6.324 -2.432 282 HA ARG 76 HA ARG 76 3.035 6.223 -0.807 283 HB2 ARG 76 HB2 ARG 76 0.516 7.875 -0.530 284 HB3 ARG 76 HB1 ARG 76 1.955 8.131 0.458 285 HG2 ARG 76 HG2 ARG 76 3.297 8.527 -1.561 286 HG3 ARG 76 HG1 ARG 76 1.884 8.223 -2.574 287 HD2 ARG 76 HD2 ARG 76 0.720 10.130 -1.519 288 HD3 ARG 76 HD1 ARG 76 2.134 10.437 -0.515 289 HE ARG 76 HE ARG 76 2.955 10.443 -3.205 290 HH11 ARG 76 HH11 ARG 76 3.245 12.433 -4.269 291 HH12 ARG 76 HH12 ARG 76 2.469 13.856 -3.659 292 HH21 ARG 76 HH21 ARG 76 0.952 12.217 -1.008 293 HH22 ARG 76 HH22 ARG 76 1.171 13.733 -1.814 294 H LYS 77 HN LYS 77 -0.363 5.519 0.119 295 HA LYS 77 HA LYS 77 0.251 4.976 2.852 296 HB2 LYS 77 HB2 LYS 77 -2.044 4.097 1.081 297 HB3 LYS 77 HB1 LYS 77 -1.952 3.764 2.811 298 HG2 LYS 77 HG2 LYS 77 -1.943 6.116 3.342 299 HG3 LYS 77 HG1 LYS 77 -1.753 6.552 1.645 300 HD2 LYS 77 HD2 LYS 77 -4.066 6.897 2.195 301 HD3 LYS 77 HD1 LYS 77 -3.987 5.439 1.208 302 HE2 LYS 77 HE2 LYS 77 -4.196 4.024 3.156 303 HE3 LYS 77 HE1 LYS 77 -4.024 5.406 4.238 304 HZ1 LYS 77 HZ1 LYS 77 -6.347 4.671 3.902 305 HZ2 LYS 77 HZ2 LYS 77 -6.214 5.090 2.261 306 HZ3 LYS 77 HZ3 LYS 77 -6.083 6.287 3.459 307 H LEU 78 HN LEU 78 -0.342 2.898 0.076 308 HA LEU 78 HA LEU 78 -0.091 0.386 1.014 309 HB2 LEU 78 HB2 LEU 78 0.578 1.632 -1.516 310 HB3 LEU 78 HB1 LEU 78 1.660 0.285 -1.174 311 HG LEU 78 HG LEU 78 -0.362 -1.128 -0.683 312 HD11 LEU 78 HD11 LEU 78 -1.644 1.377 -0.732 313 HD12 LEU 78 HD12 LEU 78 -2.402 -0.203 -0.538 314 HD13 LEU 78 HD13 LEU 78 -2.237 0.505 -2.146 315 HD21 LEU 78 HD21 LEU 78 0.320 -1.651 -2.793 316 HD22 LEU 78 HD22 LEU 78 0.349 0.036 -3.313 317 HD23 LEU 78 HD23 LEU 78 -1.180 -0.840 -3.247 318 H GLN 79 HN GLN 79 2.895 1.988 -0.175 319 HA GLN 79 HA GLN 79 4.683 0.251 1.018 320 HB2 GLN 79 HB2 GLN 79 5.290 2.021 -0.628 321 HB3 GLN 79 HB1 GLN 79 5.076 3.231 0.635 322 HG2 GLN 79 HG2 GLN 79 6.823 2.128 1.992 323 HG3 GLN 79 HG1 GLN 79 7.038 0.920 0.726 324 HE21 GLN 79 HE21 GLN 79 8.843 1.389 -0.526 325 HE22 GLN 79 HE22 GLN 79 9.365 2.952 -0.939 326 H ALA 80 HN ALA 80 3.044 3.052 2.373 327 HA ALA 80 HA ALA 80 4.451 3.245 4.804 328 HB1 ALA 80 HB1 ALA 80 1.521 3.738 4.845 329 HB2 ALA 80 HB2 ALA 80 2.468 4.694 3.707 330 HB3 ALA 80 HB3 ALA 80 2.841 4.749 5.430 331 H ASP 81 HN ASP 81 1.768 1.192 3.778 332 HA ASP 81 HA ASP 81 1.480 0.005 6.424 333 HB2 ASP 81 HB2 ASP 81 0.169 -0.553 3.757 334 HB3 ASP 81 HB1 ASP 81 -0.164 -1.488 5.215 335 H GLY 82 HN GLY 82 3.483 -0.362 3.767 336 HA2 GLY 82 HA2 GLY 82 5.193 -1.867 3.352 337 HA3 GLY 82 HA1 GLY 82 4.763 -2.688 4.849 338 H ARG 83 HN ARG 83 2.258 -2.185 2.510 339 HA ARG 83 HA ARG 83 1.596 -4.891 2.318 340 HB2 ARG 83 HB2 ARG 83 0.095 -2.923 1.829 341 HB3 ARG 83 HB1 ARG 83 0.948 -2.750 0.291 342 HG2 ARG 83 HG2 ARG 83 0.366 -5.044 -0.311 343 HG3 ARG 83 HG1 ARG 83 -0.453 -5.250 1.233 344 HD2 ARG 83 HD2 ARG 83 -1.995 -3.397 0.629 345 HD3 ARG 83 HD1 ARG 83 -1.216 -3.292 -0.946 346 HE ARG 83 HE ARG 83 -3.070 -5.348 -0.066 347 HH11 ARG 83 HH11 ARG 83 -3.688 -6.826 -1.678 348 HH12 ARG 83 HH12 ARG 83 -2.805 -6.895 -3.166 349 HH21 ARG 83 HH21 ARG 83 -0.577 -4.394 -2.269 350 HH22 ARG 83 HH22 ARG 83 -1.045 -5.519 -3.501 351 H ILE 84 HN ILE 84 3.584 -2.805 0.264 352 HA ILE 84 HA ILE 84 4.001 -4.935 -1.673 353 HB ILE 84 HB ILE 84 5.506 -3.230 -2.749 354 HG12 ILE 84 HG12 ILE 84 4.363 -1.406 -0.606 355 HG13 ILE 84 HG11 ILE 84 6.017 -2.022 -0.597 356 HG21 ILE 84 HG21 ILE 84 2.625 -3.177 -2.375 357 HG22 ILE 84 HG22 ILE 84 3.563 -2.893 -3.840 358 HG23 ILE 84 HG23 ILE 84 3.252 -1.566 -2.722 359 HD11 ILE 84 HD11 ILE 84 6.210 -1.026 -2.973 360 HD12 ILE 84 HD12 ILE 84 6.190 0.109 -1.626 361 HD13 ILE 84 HD13 ILE 84 4.733 -0.144 -2.587 362 H THR 85 HN THR 85 6.346 -5.349 -2.343 363 HA THR 85 HA THR 85 7.670 -6.636 -0.265 364 HB THR 85 HB THR 85 8.283 -7.400 -2.362 365 HG1 THR 85 HG1 THR 85 10.353 -7.288 -2.114 366 HG21 THR 85 HG21 THR 85 9.222 -5.543 -4.035 367 HG22 THR 85 HG22 THR 85 8.179 -4.505 -3.067 368 HG23 THR 85 HG23 THR 85 7.499 -5.893 -3.915 369 H GLU 86 HN GLU 86 8.912 -5.963 1.347 370 HA GLU 86 HA GLU 86 9.542 -3.201 1.704 371 HB2 GLU 86 HB2 GLU 86 10.568 -3.913 3.787 372 HB3 GLU 86 HB1 GLU 86 9.034 -4.756 3.574 373 HG2 GLU 86 HG2 GLU 86 10.290 -6.703 2.626 374 HG3 GLU 86 HG1 GLU 86 11.797 -5.869 3.006 375 H GLU 87 HN GLU 87 11.142 -5.829 0.188 376 HA GLU 87 HA GLU 87 13.834 -5.112 0.566 377 HB2 GLU 87 HB2 GLU 87 12.431 -6.535 -1.704 378 HB3 GLU 87 HB1 GLU 87 14.179 -6.327 -1.641 379 HG2 GLU 87 HG2 GLU 87 13.848 -8.445 -0.667 380 HG3 GLU 87 HG1 GLU 87 14.020 -7.387 0.727 381 H GLN 88 HN GLN 88 11.438 -3.999 -1.806 382 HA GLN 88 HA GLN 88 13.225 -2.481 -3.388 383 HB2 GLN 88 HB2 GLN 88 10.263 -2.210 -2.850 384 HB3 GLN 88 HB1 GLN 88 11.133 -1.217 -4.018 385 HG2 GLN 88 HG2 GLN 88 11.799 -3.160 -5.281 386 HG3 GLN 88 HG1 GLN 88 11.156 -4.236 -4.044 387 HE21 GLN 88 HE21 GLN 88 10.326 -4.058 -6.916 388 HE22 GLN 88 HE22 GLN 88 8.669 -3.692 -6.890 389 H ALA 89 HN ALA 89 11.350 -1.759 -0.494 390 HA ALA 89 HA ALA 89 11.879 1.007 -0.343 391 HB1 ALA 89 HB1 ALA 89 10.533 0.822 1.438 392 HB2 ALA 89 HB2 ALA 89 11.728 -0.168 2.277 393 HB3 ALA 89 HB3 ALA 89 10.540 -0.929 1.221 394 H LYS 90 HN LYS 90 13.651 -1.827 0.801 395 HA LYS 90 HA LYS 90 15.577 -0.469 2.354 396 HB2 LYS 90 HB2 LYS 90 15.299 -3.158 1.167 397 HB3 LYS 90 HB1 LYS 90 16.961 -2.631 1.429 398 HG2 LYS 90 HG2 LYS 90 16.174 -3.788 3.420 399 HG3 LYS 90 HG1 LYS 90 16.366 -2.078 3.799 400 HD2 LYS 90 HD2 LYS 90 13.939 -1.738 3.439 401 HD3 LYS 90 HD1 LYS 90 13.763 -3.455 3.080 402 HE2 LYS 90 HE2 LYS 90 14.588 -4.019 5.335 403 HE3 LYS 90 HE1 LYS 90 14.765 -2.303 5.699 404 HZ1 LYS 90 HZ1 LYS 90 12.448 -1.979 5.533 405 HZ2 LYS 90 HZ2 LYS 90 12.658 -3.365 6.491 406 HZ3 LYS 90 HZ3 LYS 90 12.194 -3.517 4.865 407 H ALA 91 HN ALA 91 15.456 -1.242 -1.095 408 HA ALA 91 HA ALA 91 18.088 -0.502 -1.754 409 HB1 ALA 91 HB1 ALA 91 17.322 -1.292 -3.705 410 HB2 ALA 91 HB2 ALA 91 16.445 0.221 -3.923 411 HB3 ALA 91 HB3 ALA 91 15.653 -1.153 -3.154 412 H TYR 92 HN TYR 92 15.100 1.398 -1.535 413 HA TYR 92 HA TYR 92 16.171 3.833 -2.495 414 HB2 TYR 92 HB2 TYR 92 13.750 3.383 -2.330 415 HB3 TYR 92 HB1 TYR 92 13.877 3.397 -0.571 416 HD1 TYR 92 HD1 TYR 92 14.400 5.467 -3.622 417 HD2 TYR 92 HD2 TYR 92 13.901 5.443 0.643 418 HE1 TYR 92 HE1 TYR 92 14.193 7.937 -3.634 419 HE2 TYR 92 HE2 TYR 92 13.695 7.916 0.633 420 HH TYR 92 HH TYR 92 14.184 9.793 -0.686 421 H LYS 93 HN LYS 93 15.789 2.535 0.793 422 HA LYS 93 HA LYS 93 16.665 4.784 2.209 423 HB2 LYS 93 HB2 LYS 93 15.554 2.862 3.260 424 HB3 LYS 93 HB1 LYS 93 16.967 1.861 2.936 425 HG2 LYS 93 HG2 LYS 93 18.350 3.311 4.361 426 HG3 LYS 93 HG1 LYS 93 16.964 4.364 4.650 427 HD2 LYS 93 HD2 LYS 93 15.759 2.519 5.726 428 HD3 LYS 93 HD1 LYS 93 17.101 1.425 5.387 429 HE2 LYS 93 HE2 LYS 93 17.248 2.224 7.699 430 HE3 LYS 93 HE1 LYS 93 18.593 2.865 6.756 431 HZ1 LYS 93 HZ1 LYS 93 17.351 4.918 6.455 432 HZ2 LYS 93 HZ2 LYS 93 17.577 4.584 8.105 433 HZ3 LYS 93 HZ3 LYS 93 16.069 4.302 7.377 434 H GLU 94 HN GLU 94 18.581 1.981 1.052 435 HA GLU 94 HA GLU 94 21.037 3.024 2.069 436 HB2 GLU 94 HB2 GLU 94 22.108 1.257 0.772 437 HB3 GLU 94 HB1 GLU 94 20.715 0.627 1.651 438 HG2 GLU 94 HG2 GLU 94 19.344 0.915 -0.391 439 HG3 GLU 94 HG1 GLU 94 20.784 1.422 -1.265 440 H TYR 95 HN TYR 95 19.262 3.415 -0.882 441 HA TYR 95 HA TYR 95 21.328 4.385 -2.548 442 HB2 TYR 95 HB2 TYR 95 19.169 3.749 -3.473 443 HB3 TYR 95 HB1 TYR 95 18.368 5.017 -2.544 444 HD1 TYR 95 HD1 TYR 95 20.955 4.438 -5.172 445 HD2 TYR 95 HD2 TYR 95 18.237 7.229 -3.362 446 HE1 TYR 95 HE1 TYR 95 21.424 6.069 -6.980 447 HE2 TYR 95 HE2 TYR 95 18.706 8.859 -5.170 448 HH TYR 95 HH TYR 95 20.089 9.346 -6.891 449 H ASN 96 HN ASN 96 19.021 6.065 -0.442 450 HA ASN 96 HA ASN 96 19.910 8.690 -0.952 451 HB2 ASN 96 HB2 ASN 96 17.770 8.029 0.206 452 HB3 ASN 96 HB1 ASN 96 18.731 7.681 1.642 453 HD21 ASN 96 HD21 ASN 96 17.894 9.439 2.924 454 HD22 ASN 96 HD22 ASN 96 18.194 11.064 2.537 455 H ASP 97 HN ASP 97 20.913 6.288 1.449 456 HA ASP 97 HA ASP 97 22.637 7.949 2.941 457 HB2 ASP 97 HB2 ASP 97 21.859 5.713 3.683 458 HB3 ASP 97 HB1 ASP 97 22.881 4.974 2.452 459 H LYS 98 HN LYS 98 23.212 5.906 0.100 460 HA LYS 98 HA LYS 98 26.002 6.216 -0.042 461 HB2 LYS 98 HB2 LYS 98 24.749 4.539 -1.344 462 HB3 LYS 98 HB1 LYS 98 24.028 5.829 -2.306 463 HG2 LYS 98 HG2 LYS 98 26.254 6.507 -3.102 464 HG3 LYS 98 HG1 LYS 98 27.003 5.263 -2.101 465 HD2 LYS 98 HD2 LYS 98 25.769 3.523 -3.352 466 HD3 LYS 98 HD1 LYS 98 25.043 4.774 -4.362 467 HE2 LYS 98 HE2 LYS 98 28.023 4.273 -4.110 468 HE3 LYS 98 HE1 LYS 98 27.018 3.717 -5.448 469 HZ1 LYS 98 HZ1 LYS 98 28.248 6.176 -5.191 470 HZ2 LYS 98 HZ2 LYS 98 26.590 6.473 -4.965 471 HZ3 LYS 98 HZ3 LYS 98 27.134 5.707 -6.381 472 H ASN 99 HN ASN 99 23.377 8.132 -1.482 473 HA ASN 99 HA ASN 99 25.257 10.003 -2.667 474 HB2 ASN 99 HB2 ASN 99 22.241 9.907 -2.536 475 HB3 ASN 99 HB1 ASN 99 23.133 11.225 -3.295 476 HD21 ASN 99 HD21 ASN 99 21.378 9.457 -4.775 477 HD22 ASN 99 HD22 ASN 99 22.340 8.576 -5.861 478 H GLY 100 HN GLY 100 24.052 9.534 0.390 479 HA2 GLY 100 HA2 GLY 100 24.094 12.416 1.050 480 HA3 GLY 100 HA1 GLY 100 23.306 11.172 2.016 481 H GLY 101 HN GLY 101 25.748 9.414 1.449 482 HA2 GLY 101 HA2 GLY 101 27.273 10.332 3.766 483 HA3 GLY 101 HA1 GLY 101 27.399 8.757 2.990 484 H ALA 102 HN ALA 102 27.396 10.839 0.492 485 HA ALA 102 HA ALA 102 30.282 10.672 0.182 486 HB1 ALA 102 HB1 ALA 102 28.020 10.800 -1.563 487 HB2 ALA 102 HB2 ALA 102 29.707 10.491 -1.972 488 HB3 ALA 102 HB3 ALA 102 29.097 12.146 -1.939 489 H ASN 103 HN ASN 103 28.090 12.886 1.459 490 HA ASN 103 HA ASN 103 29.132 15.361 0.618 491 HB2 ASN 103 HB2 ASN 103 26.999 15.109 1.835 492 HB3 ASN 103 HB1 ASN 103 27.893 14.664 3.289 493 HD21 ASN 103 HD21 ASN 103 26.307 16.903 3.530 494 HD22 ASN 103 HD22 ASN 103 27.255 18.312 3.530 495 H ARG 104 HN ARG 104 29.997 13.294 3.378 496 HA ARG 104 HA ARG 104 31.850 14.996 4.592 497 HB2 ARG 104 HB2 ARG 104 32.719 13.028 5.690 498 HB3 ARG 104 HB1 ARG 104 30.973 12.845 5.545 499 HG2 ARG 104 HG2 ARG 104 31.371 11.531 3.436 500 HG3 ARG 104 HG1 ARG 104 33.094 11.569 3.808 501 HD2 ARG 104 HD2 ARG 104 32.643 10.496 5.987 502 HD3 ARG 104 HD1 ARG 104 30.927 10.425 5.589 503 HE ARG 104 HE ARG 104 32.446 9.207 3.535 504 HH11 ARG 104 HH11 ARG 104 32.469 6.935 3.427 505 HH12 ARG 104 HH12 ARG 104 32.021 6.005 4.818 506 HH21 ARG 104 HH21 ARG 104 31.401 8.781 6.803 507 HH22 ARG 104 HH22 ARG 104 31.417 7.049 6.730 508 H LYS 105 HN LYS 105 33.964 15.474 4.263 509 HA LYS 105 HA LYS 105 35.078 14.913 1.657 510 HB2 LYS 105 HB2 LYS 105 36.176 16.396 4.057 511 HB3 LYS 105 HB1 LYS 105 36.902 16.382 2.447 512 HG2 LYS 105 HG2 LYS 105 34.871 17.365 1.494 513 HG3 LYS 105 HG1 LYS 105 34.096 17.335 3.079 514 HD2 LYS 105 HD2 LYS 105 35.836 18.847 3.957 515 HD3 LYS 105 HD1 LYS 105 36.597 18.890 2.365 516 HE2 LYS 105 HE2 LYS 105 35.150 20.845 2.687 517 HE3 LYS 105 HE1 LYS 105 34.520 19.818 1.402 518 HZ1 LYS 105 HZ1 LYS 105 33.137 20.686 3.576 519 HZ2 LYS 105 HZ2 LYS 105 33.550 19.094 3.999 520 HZ3 LYS 105 HZ3 LYS 105 32.687 19.400 2.567 521 H VAL 106 HN VAL 106 35.139 13.402 4.688 522 HA VAL 106 HA VAL 106 37.610 11.924 3.986 523 HB VAL 106 HB VAL 106 36.474 12.520 6.728 524 HG11 VAL 106 HG11 VAL 106 38.458 10.584 5.716 525 HG12 VAL 106 HG12 VAL 106 37.565 10.589 7.237 526 HG13 VAL 106 HG13 VAL 106 39.023 11.566 7.067 527 HG21 VAL 106 HG21 VAL 106 39.015 13.454 5.354 528 HG22 VAL 106 HG22 VAL 106 38.514 13.865 6.995 529 HG23 VAL 106 HG23 VAL 106 37.580 14.445 5.616 530 H ASN 107 HN ASN 107 37.375 9.822 3.606 531 HA ASN 107 HA ASN 107 34.823 8.556 3.703 532 HB2 ASN 107 HB2 ASN 107 36.024 6.555 2.976 533 HB3 ASN 107 HB1 ASN 107 36.566 7.958 2.057 534 HD21 ASN 107 HD21 ASN 107 38.559 6.477 1.742 535 HD22 ASN 107 HD22 ASN 107 39.764 6.541 2.935 536 H ASP 108 HN ASP 108 37.243 9.057 6.029 537 HA ASP 108 HA ASP 108 36.358 6.774 7.664 538 HB2 ASP 108 HB2 ASP 108 38.788 7.063 7.388 539 HB3 ASP 108 HB1 ASP 108 38.671 8.685 8.068 Start of MODEL 5 1 HA THR 40 HA THR 40 -22.709 6.300 -22.863 2 HB THR 40 HB THR 40 -21.165 6.210 -21.146 3 HG1 THR 40 HG1 THR 40 -21.741 5.935 -19.130 4 HG21 THR 40 HG21 THR 40 -22.450 8.747 -20.182 5 HG22 THR 40 HG22 THR 40 -21.806 8.658 -21.821 6 HG23 THR 40 HG23 THR 40 -20.742 8.394 -20.440 7 H LYS 41 HN LYS 41 -24.947 6.368 -20.109 8 HA LYS 41 HA LYS 41 -25.716 3.598 -20.748 9 HB2 LYS 41 HB2 LYS 41 -25.774 3.031 -18.359 10 HB3 LYS 41 HB1 LYS 41 -24.147 3.493 -18.855 11 HG2 LYS 41 HG2 LYS 41 -24.553 5.786 -17.999 12 HG3 LYS 41 HG1 LYS 41 -26.155 5.285 -17.453 13 HD2 LYS 41 HD2 LYS 41 -25.088 3.544 -16.026 14 HD3 LYS 41 HD1 LYS 41 -23.505 4.151 -16.514 15 HE2 LYS 41 HE2 LYS 41 -25.642 5.793 -15.124 16 HE3 LYS 41 HE1 LYS 41 -24.226 5.100 -14.334 17 HZ1 LYS 41 HZ1 LYS 41 -24.344 7.239 -16.366 18 HZ2 LYS 41 HZ2 LYS 41 -22.917 6.351 -16.113 19 HZ3 LYS 41 HZ3 LYS 41 -23.593 7.261 -14.845 20 H GLN 42 HN GLN 42 -26.922 6.210 -21.299 21 HA GLN 42 HA GLN 42 -29.244 6.297 -19.521 22 HB2 GLN 42 HB2 GLN 42 -28.330 8.065 -21.794 23 HB3 GLN 42 HB1 GLN 42 -29.865 8.283 -20.955 24 HG2 GLN 42 HG2 GLN 42 -28.743 8.635 -18.846 25 HG3 GLN 42 HG1 GLN 42 -27.184 8.204 -19.548 26 HE21 GLN 42 HE21 GLN 42 -27.991 10.809 -18.289 27 HE22 GLN 42 HE22 GLN 42 -27.740 11.985 -19.488 28 H LYS 43 HN LYS 43 -31.370 6.755 -20.729 29 HA LYS 43 HA LYS 43 -33.109 5.933 -21.991 30 HB2 LYS 43 HB2 LYS 43 -31.630 6.805 -23.840 31 HB3 LYS 43 HB1 LYS 43 -30.988 5.172 -24.009 32 HG2 LYS 43 HG2 LYS 43 -33.247 4.311 -24.464 33 HG3 LYS 43 HG1 LYS 43 -33.912 5.933 -24.265 34 HD2 LYS 43 HD2 LYS 43 -32.527 6.732 -26.150 35 HD3 LYS 43 HD1 LYS 43 -31.878 5.105 -26.357 36 HE2 LYS 43 HE2 LYS 43 -34.146 4.250 -26.808 37 HE3 LYS 43 HE1 LYS 43 -34.804 5.873 -26.594 38 HZ1 LYS 43 HZ1 LYS 43 -33.373 4.743 -28.834 39 HZ2 LYS 43 HZ2 LYS 43 -32.853 6.296 -28.384 40 HZ3 LYS 43 HZ3 LYS 43 -34.480 6.025 -28.789 41 H GLU 44 HN GLU 44 -32.985 4.275 -20.159 42 HA GLU 44 HA GLU 44 -32.893 2.086 -19.394 43 HB2 GLU 44 HB2 GLU 44 -34.207 1.737 -22.099 44 HB3 GLU 44 HB1 GLU 44 -34.331 0.623 -20.736 45 HG2 GLU 44 HG2 GLU 44 -35.193 3.527 -20.648 46 HG3 GLU 44 HG1 GLU 44 -36.289 2.172 -20.916 47 H ALA 45 HN ALA 45 -30.478 2.904 -20.908 48 HA ALA 45 HA ALA 45 -29.650 0.846 -22.663 49 HB1 ALA 45 HB1 ALA 45 -28.164 2.551 -22.857 50 HB2 ALA 45 HB2 ALA 45 -27.312 1.698 -21.568 51 HB3 ALA 45 HB3 ALA 45 -28.372 3.053 -21.180 52 H VAL 46 HN VAL 46 -29.296 1.275 -19.165 53 HA VAL 46 HA VAL 46 -28.660 -1.602 -18.942 54 HB VAL 46 HB VAL 46 -27.357 0.653 -17.396 55 HG11 VAL 46 HG11 VAL 46 -25.934 -1.567 -16.801 56 HG12 VAL 46 HG12 VAL 46 -27.530 -2.289 -17.006 57 HG13 VAL 46 HG13 VAL 46 -27.287 -1.009 -15.818 58 HG21 VAL 46 HG21 VAL 46 -25.311 -0.082 -18.532 59 HG22 VAL 46 HG22 VAL 46 -26.535 0.349 -19.729 60 HG23 VAL 46 HG23 VAL 46 -26.209 -1.348 -19.371 61 H ASN 47 HN ASN 47 -29.915 -2.666 -17.516 62 HA ASN 47 HA ASN 47 -31.842 -1.117 -15.958 63 HB2 ASN 47 HB2 ASN 47 -32.596 -3.070 -17.287 64 HB3 ASN 47 HB1 ASN 47 -31.581 -4.113 -16.293 65 HD21 ASN 47 HD21 ASN 47 -34.395 -4.511 -16.356 66 HD22 ASN 47 HD22 ASN 47 -35.038 -4.086 -14.843 67 H ASP 48 HN ASP 48 -31.114 -0.390 -14.058 68 HA ASP 48 HA ASP 48 -30.296 -2.244 -12.025 69 HB2 ASP 48 HB2 ASP 48 -28.084 -1.328 -11.595 70 HB3 ASP 48 HB1 ASP 48 -28.157 -1.946 -13.244 71 H LYS 49 HN LYS 49 -32.273 -0.079 -12.620 72 HA LYS 49 HA LYS 49 -31.730 2.231 -11.112 73 HB2 LYS 49 HB2 LYS 49 -34.332 0.865 -11.809 74 HB3 LYS 49 HB1 LYS 49 -34.247 2.423 -10.988 75 HG2 LYS 49 HG2 LYS 49 -32.940 3.346 -12.868 76 HG3 LYS 49 HG1 LYS 49 -33.032 1.790 -13.694 77 HD2 LYS 49 HD2 LYS 49 -35.500 1.952 -13.718 78 HD3 LYS 49 HD1 LYS 49 -35.400 3.518 -12.916 79 HE2 LYS 49 HE2 LYS 49 -34.160 2.869 -15.606 80 HE3 LYS 49 HE1 LYS 49 -35.672 3.747 -15.377 81 HZ1 LYS 49 HZ1 LYS 49 -32.925 4.597 -14.840 82 HZ2 LYS 49 HZ2 LYS 49 -34.149 5.183 -13.817 83 HZ3 LYS 49 HZ3 LYS 49 -34.223 5.475 -15.489 84 H GLY 50 HN GLY 50 -33.162 -0.882 -10.166 85 HA2 GLY 50 HA2 GLY 50 -33.474 -1.821 -8.083 86 HA3 GLY 50 HA1 GLY 50 -32.278 -0.672 -7.487 87 H LYS 51 HN LYS 51 -35.218 0.311 -9.106 88 HA LYS 51 HA LYS 51 -35.947 2.160 -7.136 89 HB2 LYS 51 HB2 LYS 51 -36.702 2.279 -9.480 90 HB3 LYS 51 HB1 LYS 51 -37.678 0.837 -9.243 91 HG2 LYS 51 HG2 LYS 51 -39.150 2.734 -9.072 92 HG3 LYS 51 HG1 LYS 51 -38.947 2.103 -7.444 93 HD2 LYS 51 HD2 LYS 51 -37.402 3.855 -6.867 94 HD3 LYS 51 HD1 LYS 51 -37.278 4.379 -8.548 95 HE2 LYS 51 HE2 LYS 51 -39.680 4.995 -8.504 96 HE3 LYS 51 HE1 LYS 51 -39.763 4.503 -6.812 97 HZ1 LYS 51 HZ1 LYS 51 -39.145 6.984 -7.681 98 HZ2 LYS 51 HZ2 LYS 51 -37.608 6.320 -7.389 99 HZ3 LYS 51 HZ3 LYS 51 -38.766 6.368 -6.147 100 H ALA 52 HN ALA 52 -37.084 -1.151 -7.727 101 HA ALA 52 HA ALA 52 -39.137 -1.197 -5.808 102 HB1 ALA 52 HB1 ALA 52 -37.764 -3.743 -6.026 103 HB2 ALA 52 HB2 ALA 52 -38.003 -3.007 -7.610 104 HB3 ALA 52 HB3 ALA 52 -39.387 -3.297 -6.555 105 H ALA 53 HN ALA 53 -35.672 -1.900 -5.526 106 HA ALA 53 HA ALA 53 -35.977 -2.437 -2.661 107 HB1 ALA 53 HB1 ALA 53 -33.358 -2.680 -2.991 108 HB2 ALA 53 HB2 ALA 53 -33.820 -2.852 -4.685 109 HB3 ALA 53 HB3 ALA 53 -34.460 -3.968 -3.480 110 H VAL 54 HN VAL 54 -35.038 -1.172 -1.050 111 HA VAL 54 HA VAL 54 -34.865 1.619 -1.588 112 HB VAL 54 HB VAL 54 -33.894 1.612 0.827 113 HG11 VAL 54 HG11 VAL 54 -36.195 1.117 1.728 114 HG12 VAL 54 HG12 VAL 54 -36.646 0.553 0.119 115 HG13 VAL 54 HG13 VAL 54 -36.189 2.238 0.366 116 HG21 VAL 54 HG21 VAL 54 -35.058 -1.173 0.813 117 HG22 VAL 54 HG22 VAL 54 -34.075 -0.401 2.055 118 HG23 VAL 54 HG23 VAL 54 -33.336 -0.908 0.539 119 H VAL 55 HN VAL 55 -33.205 2.713 -2.408 120 HA VAL 55 HA VAL 55 -30.631 1.447 -2.751 121 HB VAL 55 HB VAL 55 -30.031 3.534 -3.923 122 HG11 VAL 55 HG11 VAL 55 -31.073 2.653 -5.715 123 HG12 VAL 55 HG12 VAL 55 -32.633 3.236 -5.137 124 HG13 VAL 55 HG13 VAL 55 -32.035 1.661 -4.621 125 HG21 VAL 55 HG21 VAL 55 -32.732 4.401 -2.863 126 HG22 VAL 55 HG22 VAL 55 -31.945 5.202 -4.223 127 HG23 VAL 55 HG23 VAL 55 -31.175 5.200 -2.637 128 H LYS 56 HN LYS 56 -32.025 3.898 -0.653 129 HA LYS 56 HA LYS 56 -29.647 5.042 0.320 130 HB2 LYS 56 HB2 LYS 56 -31.883 5.998 0.727 131 HB3 LYS 56 HB1 LYS 56 -32.276 4.630 1.768 132 HG2 LYS 56 HG2 LYS 56 -30.439 5.242 3.292 133 HG3 LYS 56 HG1 LYS 56 -30.005 6.588 2.237 134 HD2 LYS 56 HD2 LYS 56 -32.229 7.590 2.599 135 HD3 LYS 56 HD1 LYS 56 -32.666 6.242 3.649 136 HE2 LYS 56 HE2 LYS 56 -30.827 6.830 5.180 137 HE3 LYS 56 HE1 LYS 56 -30.376 8.172 4.129 138 HZ1 LYS 56 HZ1 LYS 56 -31.940 9.430 5.033 139 HZ2 LYS 56 HZ2 LYS 56 -32.233 8.203 6.171 140 HZ3 LYS 56 HZ3 LYS 56 -33.139 8.269 4.736 141 H VAL 57 HN VAL 57 -31.547 2.281 1.506 142 HA VAL 57 HA VAL 57 -29.924 1.699 3.743 143 HB VAL 57 HB VAL 57 -31.761 -0.036 2.085 144 HG11 VAL 57 HG11 VAL 57 -31.618 -1.422 4.326 145 HG12 VAL 57 HG12 VAL 57 -30.041 -0.646 4.468 146 HG13 VAL 57 HG13 VAL 57 -30.404 -1.655 3.069 147 HG21 VAL 57 HG21 VAL 57 -32.889 1.742 3.312 148 HG22 VAL 57 HG22 VAL 57 -31.998 1.342 4.780 149 HG23 VAL 57 HG23 VAL 57 -33.190 0.212 4.138 150 H VAL 58 HN VAL 58 -29.875 0.493 0.406 151 HA VAL 58 HA VAL 58 -27.842 -1.421 0.728 152 HB VAL 58 HB VAL 58 -28.700 0.196 -1.675 153 HG11 VAL 58 HG11 VAL 58 -26.629 -0.440 -2.441 154 HG12 VAL 58 HG12 VAL 58 -27.475 -1.960 -2.733 155 HG13 VAL 58 HG13 VAL 58 -26.492 -1.762 -1.283 156 HG21 VAL 58 HG21 VAL 58 -30.179 -1.600 -0.458 157 HG22 VAL 58 HG22 VAL 58 -29.083 -2.754 -1.220 158 HG23 VAL 58 HG23 VAL 58 -30.035 -1.652 -2.215 159 H GLU 59 HN GLU 59 -27.656 2.018 -0.190 160 HA GLU 59 HA GLU 59 -24.883 2.082 -0.668 161 HB2 GLU 59 HB2 GLU 59 -26.818 4.230 0.207 162 HB3 GLU 59 HB1 GLU 59 -25.127 4.555 -0.173 163 HG2 GLU 59 HG2 GLU 59 -25.406 3.750 -2.430 164 HG3 GLU 59 HG1 GLU 59 -27.034 3.176 -2.077 165 H SER 60 HN SER 60 -26.744 2.620 2.327 166 HA SER 60 HA SER 60 -24.528 3.373 3.925 167 HB2 SER 60 HB2 SER 60 -27.175 2.104 4.660 168 HB3 SER 60 HB1 SER 60 -26.017 2.731 5.831 169 HG SER 60 HG SER 60 -27.580 4.083 3.928 170 H GLN 61 HN GLN 61 -26.055 0.261 3.236 171 HA GLN 61 HA GLN 61 -24.497 -1.299 5.013 172 HB2 GLN 61 HB2 GLN 61 -26.034 -2.003 2.510 173 HB3 GLN 61 HB1 GLN 61 -25.226 -3.205 3.517 174 HG2 GLN 61 HG2 GLN 61 -26.568 -2.604 5.431 175 HG3 GLN 61 HG1 GLN 61 -27.258 -1.227 4.577 176 HE21 GLN 61 HE21 GLN 61 -28.688 -3.612 5.716 177 HE22 GLN 61 HE22 GLN 61 -29.513 -4.309 4.406 178 H ALA 62 HN ALA 62 -24.036 -0.306 1.659 179 HA ALA 62 HA ALA 62 -21.859 -2.000 1.042 180 HB1 ALA 62 HB1 ALA 62 -21.725 0.627 -0.219 181 HB2 ALA 62 HB2 ALA 62 -23.339 -0.081 -0.308 182 HB3 ALA 62 HB3 ALA 62 -21.953 -0.962 -0.951 183 H GLU 63 HN GLU 63 -22.044 1.205 2.512 184 HA GLU 63 HA GLU 63 -19.300 1.809 2.518 185 HB2 GLU 63 HB2 GLU 63 -21.077 3.455 3.013 186 HB3 GLU 63 HB1 GLU 63 -21.405 2.627 4.535 187 HG2 GLU 63 HG2 GLU 63 -19.122 3.088 5.307 188 HG3 GLU 63 HG1 GLU 63 -18.739 3.852 3.766 189 H LEU 64 HN LEU 64 -21.312 0.048 4.851 190 HA LEU 64 HA LEU 64 -19.356 -0.244 6.863 191 HB2 LEU 64 HB2 LEU 64 -21.734 -1.956 6.116 192 HB3 LEU 64 HB1 LEU 64 -20.753 -2.239 7.552 193 HG LEU 64 HG LEU 64 -22.133 0.392 6.925 194 HD11 LEU 64 HD11 LEU 64 -23.816 -0.247 8.551 195 HD12 LEU 64 HD12 LEU 64 -22.964 -1.751 8.902 196 HD13 LEU 64 HD13 LEU 64 -23.718 -1.512 7.327 197 HD21 LEU 64 HD21 LEU 64 -20.523 1.003 8.461 198 HD22 LEU 64 HD22 LEU 64 -20.390 -0.620 9.137 199 HD23 LEU 64 HD23 LEU 64 -21.746 0.412 9.584 200 H TYR 65 HN TYR 65 -20.139 -2.246 4.031 201 HA TYR 65 HA TYR 65 -18.289 -4.324 4.662 202 HB2 TYR 65 HB2 TYR 65 -19.651 -3.510 2.094 203 HB3 TYR 65 HB1 TYR 65 -18.547 -4.880 2.192 204 HD1 TYR 65 HD1 TYR 65 -21.925 -3.923 2.449 205 HD2 TYR 65 HD2 TYR 65 -19.017 -6.517 4.255 206 HE1 TYR 65 HE1 TYR 65 -23.748 -5.336 3.353 207 HE2 TYR 65 HE2 TYR 65 -20.841 -7.933 5.157 208 HH TYR 65 HH TYR 65 -23.094 -7.976 5.587 209 H SER 66 HN SER 66 -18.090 -1.352 2.770 210 HA SER 66 HA SER 66 -15.583 -1.824 1.568 211 HB2 SER 66 HB2 SER 66 -15.525 0.594 1.196 212 HB3 SER 66 HB1 SER 66 -17.130 -0.044 0.849 213 HG SER 66 HG SER 66 -16.234 1.560 2.955 214 H LEU 67 HN LEU 67 -16.471 -0.436 4.702 215 HA LEU 67 HA LEU 67 -13.867 0.462 5.394 216 HB2 LEU 67 HB2 LEU 67 -16.458 0.104 6.755 217 HB3 LEU 67 HB1 LEU 67 -15.051 -0.036 7.806 218 HG LEU 67 HG LEU 67 -15.957 2.310 7.592 219 HD11 LEU 67 HD11 LEU 67 -13.861 2.888 8.152 220 HD12 LEU 67 HD12 LEU 67 -13.388 2.840 6.454 221 HD13 LEU 67 HD13 LEU 67 -13.255 1.391 7.447 222 HD21 LEU 67 HD21 LEU 67 -14.668 2.607 4.938 223 HD22 LEU 67 HD22 LEU 67 -16.117 3.378 5.580 224 HD23 LEU 67 HD23 LEU 67 -16.202 1.737 4.945 225 H GLU 68 HN GLU 68 -15.669 -2.492 6.238 226 HA GLU 68 HA GLU 68 -13.594 -3.688 7.745 227 HB2 GLU 68 HB2 GLU 68 -15.955 -4.416 7.851 228 HB3 GLU 68 HB1 GLU 68 -15.831 -5.025 6.200 229 HG2 GLU 68 HG2 GLU 68 -14.077 -6.597 6.885 230 HG3 GLU 68 HG1 GLU 68 -14.124 -5.957 8.527 231 H LYS 69 HN LYS 69 -14.507 -3.915 4.329 232 HA LYS 69 HA LYS 69 -12.561 -5.857 3.621 233 HB2 LYS 69 HB2 LYS 69 -14.631 -5.273 2.300 234 HB3 LYS 69 HB1 LYS 69 -13.826 -3.782 1.819 235 HG2 LYS 69 HG2 LYS 69 -13.263 -5.168 0.039 236 HG3 LYS 69 HG1 LYS 69 -11.880 -5.431 1.098 237 HD2 LYS 69 HD2 LYS 69 -12.943 -7.461 2.006 238 HD3 LYS 69 HD1 LYS 69 -14.350 -7.188 0.980 239 HE2 LYS 69 HE2 LYS 69 -12.953 -8.804 -0.133 240 HE3 LYS 69 HE1 LYS 69 -12.802 -7.283 -1.015 241 HZ1 LYS 69 HZ1 LYS 69 -10.642 -8.268 -0.646 242 HZ2 LYS 69 HZ2 LYS 69 -10.911 -8.316 1.031 243 HZ3 LYS 69 HZ3 LYS 69 -10.771 -6.823 0.233 244 H ASN 70 HN ASN 70 -12.586 -2.318 3.642 245 HA ASN 70 HA ASN 70 -10.908 -0.779 3.283 246 HB2 ASN 70 HB2 ASN 70 -10.089 -2.138 5.308 247 HB3 ASN 70 HB1 ASN 70 -9.005 -2.942 4.174 248 HD21 ASN 70 HD21 ASN 70 -7.033 -1.989 4.943 249 HD22 ASN 70 HD22 ASN 70 -6.717 -0.325 4.826 250 H GLU 71 HN GLU 71 -11.679 -2.067 0.984 251 HA GLU 71 HA GLU 71 -9.640 -3.334 -0.481 252 HB2 GLU 71 HB2 GLU 71 -10.978 -2.564 -2.494 253 HB3 GLU 71 HB1 GLU 71 -11.869 -3.498 -1.294 254 HG2 GLU 71 HG2 GLU 71 -12.723 -1.395 -0.302 255 HG3 GLU 71 HG1 GLU 71 -11.861 -0.472 -1.528 256 H ASP 72 HN ASP 72 -7.916 -1.784 0.424 257 HA ASP 72 HA ASP 72 -7.095 -0.079 -1.753 258 HB2 ASP 72 HB2 ASP 72 -8.636 1.329 -0.241 259 HB3 ASP 72 HB1 ASP 72 -7.333 1.246 0.942 260 H ALA 73 HN ALA 73 -4.879 0.378 -1.706 261 HA ALA 73 HA ALA 73 -3.295 -0.306 0.621 262 HB1 ALA 73 HB1 ALA 73 -2.356 -2.259 -0.073 263 HB2 ALA 73 HB2 ALA 73 -2.420 -1.803 -1.777 264 HB3 ALA 73 HB3 ALA 73 -3.866 -2.418 -0.972 265 H SER 74 HN SER 74 -1.345 0.721 0.615 266 HA SER 74 HA SER 74 -0.679 2.297 -1.795 267 HB2 SER 74 HB2 SER 74 -1.260 3.706 0.116 268 HB3 SER 74 HB1 SER 74 -0.088 2.862 1.121 269 HG SER 74 HG SER 74 0.648 4.091 -1.314 270 H LEU 75 HN LEU 75 1.607 2.621 -2.210 271 HA LEU 75 HA LEU 75 3.094 0.245 -2.250 272 HB2 LEU 75 HB2 LEU 75 3.549 2.164 -3.741 273 HB3 LEU 75 HB1 LEU 75 4.112 3.103 -2.365 274 HG LEU 75 HG LEU 75 5.919 1.448 -1.979 275 HD11 LEU 75 HD11 LEU 75 4.474 0.062 -4.204 276 HD12 LEU 75 HD12 LEU 75 5.234 -0.617 -2.767 277 HD13 LEU 75 HD13 LEU 75 6.229 -0.094 -4.127 278 HD21 LEU 75 HD21 LEU 75 5.627 3.201 -4.255 279 HD22 LEU 75 HD22 LEU 75 6.652 1.832 -4.685 280 HD23 LEU 75 HD23 LEU 75 7.074 2.850 -3.309 281 H ARG 76 HN ARG 76 3.305 3.021 -0.015 282 HA ARG 76 HA ARG 76 5.429 2.023 1.522 283 HB2 ARG 76 HB2 ARG 76 3.104 3.813 2.263 284 HB3 ARG 76 HB1 ARG 76 4.448 3.467 3.352 285 HG2 ARG 76 HG2 ARG 76 6.038 4.393 1.747 286 HG3 ARG 76 HG1 ARG 76 4.742 4.657 0.579 287 HD2 ARG 76 HD2 ARG 76 5.260 6.748 1.756 288 HD3 ARG 76 HD1 ARG 76 3.637 6.200 2.159 289 HE ARG 76 HE ARG 76 4.352 5.820 4.348 290 HH11 ARG 76 HH11 ARG 76 5.881 5.987 6.018 291 HH12 ARG 76 HH12 ARG 76 7.543 6.289 5.636 292 HH21 ARG 76 HH21 ARG 76 7.015 6.387 2.211 293 HH22 ARG 76 HH22 ARG 76 8.184 6.515 3.482 294 H LYS 77 HN LYS 77 1.911 1.515 1.760 295 HA LYS 77 HA LYS 77 2.005 -0.046 4.132 296 HB2 LYS 77 HB2 LYS 77 0.002 0.091 1.874 297 HB3 LYS 77 HB1 LYS 77 -0.234 -0.900 3.315 298 HG2 LYS 77 HG2 LYS 77 -0.003 1.101 4.736 299 HG3 LYS 77 HG1 LYS 77 0.233 2.095 3.301 300 HD2 LYS 77 HD2 LYS 77 -2.005 1.461 2.485 301 HD3 LYS 77 HD1 LYS 77 -2.243 0.459 3.918 302 HE2 LYS 77 HE2 LYS 77 -2.006 2.448 5.355 303 HE3 LYS 77 HE1 LYS 77 -1.762 3.454 3.927 304 HZ1 LYS 77 HZ1 LYS 77 -4.204 2.090 4.838 305 HZ2 LYS 77 HZ2 LYS 77 -3.997 2.431 3.187 306 HZ3 LYS 77 HZ3 LYS 77 -4.001 3.692 4.324 307 H LEU 78 HN LEU 78 1.942 -0.951 0.674 308 HA LEU 78 HA LEU 78 1.858 -3.657 0.820 309 HB2 LEU 78 HB2 LEU 78 3.521 -1.898 -0.982 310 HB3 LEU 78 HB1 LEU 78 3.451 -3.644 -1.194 311 HG LEU 78 HG LEU 78 0.998 -1.864 -1.092 312 HD11 LEU 78 HD11 LEU 78 2.920 -2.268 -3.214 313 HD12 LEU 78 HD12 LEU 78 1.500 -1.222 -3.186 314 HD13 LEU 78 HD13 LEU 78 1.345 -2.907 -3.684 315 HD21 LEU 78 HD21 LEU 78 1.496 -4.785 -1.466 316 HD22 LEU 78 HD22 LEU 78 0.244 -4.050 -2.465 317 HD23 LEU 78 HD23 LEU 78 0.133 -3.959 -0.709 318 H GLN 79 HN GLN 79 4.880 -1.720 1.133 319 HA GLN 79 HA GLN 79 6.591 -3.896 1.564 320 HB2 GLN 79 HB2 GLN 79 7.354 -1.575 1.169 321 HB3 GLN 79 HB1 GLN 79 6.752 -1.115 2.760 322 HG2 GLN 79 HG2 GLN 79 8.296 -2.739 3.812 323 HG3 GLN 79 HG1 GLN 79 8.902 -3.183 2.218 324 HE21 GLN 79 HE21 GLN 79 10.903 -2.209 1.916 325 HE22 GLN 79 HE22 GLN 79 11.290 -0.619 2.366 326 H ALA 80 HN ALA 80 4.662 -1.988 3.853 327 HA ALA 80 HA ALA 80 5.557 -3.272 6.213 328 HB1 ALA 80 HB1 ALA 80 3.751 -1.209 5.552 329 HB2 ALA 80 HB2 ALA 80 4.252 -1.715 7.166 330 HB3 ALA 80 HB3 ALA 80 2.811 -2.417 6.429 331 H ASP 81 HN ASP 81 3.411 -4.229 3.713 332 HA ASP 81 HA ASP 81 2.078 -6.260 5.335 333 HB2 ASP 81 HB2 ASP 81 1.820 -5.448 2.438 334 HB3 ASP 81 HB1 ASP 81 0.949 -6.811 3.139 335 H GLY 82 HN GLY 82 5.007 -6.018 3.812 336 HA2 GLY 82 HA2 GLY 82 6.630 -7.614 3.412 337 HA3 GLY 82 HA1 GLY 82 5.496 -8.838 3.974 338 H ARG 83 HN ARG 83 4.093 -6.908 1.626 339 HA ARG 83 HA ARG 83 3.821 -9.001 -0.243 340 HB2 ARG 83 HB2 ARG 83 3.334 -6.027 -0.433 341 HB3 ARG 83 HB1 ARG 83 2.967 -7.139 -1.751 342 HG2 ARG 83 HG2 ARG 83 1.939 -7.785 0.988 343 HG3 ARG 83 HG1 ARG 83 1.120 -6.532 0.057 344 HD2 ARG 83 HD2 ARG 83 1.682 -9.320 -1.000 345 HD3 ARG 83 HD1 ARG 83 0.158 -8.834 -0.268 346 HE ARG 83 HE ARG 83 0.685 -6.983 -2.274 347 HH11 ARG 83 HH11 ARG 83 -0.224 -7.224 -4.340 348 HH12 ARG 83 HH12 ARG 83 -0.735 -8.789 -4.878 349 HH21 ARG 83 HH21 ARG 83 0.193 -10.394 -1.948 350 HH22 ARG 83 HH22 ARG 83 -0.499 -10.583 -3.524 351 H ILE 84 HN ILE 84 6.057 -6.265 -0.077 352 HA ILE 84 HA ILE 84 7.491 -7.385 -2.413 353 HB ILE 84 HB ILE 84 8.277 -5.082 -2.856 354 HG12 ILE 84 HG12 ILE 84 6.266 -4.269 -0.732 355 HG13 ILE 84 HG11 ILE 84 8.009 -4.280 -0.477 356 HG21 ILE 84 HG21 ILE 84 5.585 -6.102 -3.111 357 HG22 ILE 84 HG22 ILE 84 6.518 -5.130 -4.249 358 HG23 ILE 84 HG23 ILE 84 5.565 -4.341 -2.991 359 HD11 ILE 84 HD11 ILE 84 8.247 -2.310 -1.535 360 HD12 ILE 84 HD12 ILE 84 6.489 -2.188 -1.569 361 HD13 ILE 84 HD13 ILE 84 7.349 -2.895 -2.935 362 H THR 85 HN THR 85 9.830 -7.018 -2.412 363 HA THR 85 HA THR 85 10.993 -7.807 0.051 364 HB THR 85 HB THR 85 11.914 -8.405 -2.189 365 HG1 THR 85 HG1 THR 85 13.328 -8.608 -0.533 366 HG21 THR 85 HG21 THR 85 12.943 -6.825 -3.580 367 HG22 THR 85 HG22 THR 85 13.106 -5.645 -2.280 368 HG23 THR 85 HG23 THR 85 11.525 -5.954 -2.997 369 H GLU 86 HN GLU 86 12.397 -6.663 1.434 370 HA GLU 86 HA GLU 86 11.856 -3.791 1.529 371 HB2 GLU 86 HB2 GLU 86 13.279 -5.617 3.486 372 HB3 GLU 86 HB1 GLU 86 12.922 -3.913 3.756 373 HG2 GLU 86 HG2 GLU 86 11.085 -4.875 4.787 374 HG3 GLU 86 HG1 GLU 86 10.451 -4.670 3.157 375 H GLU 87 HN GLU 87 14.402 -6.019 0.759 376 HA GLU 87 HA GLU 87 16.654 -4.447 1.168 377 HB2 GLU 87 HB2 GLU 87 16.694 -6.851 0.610 378 HB3 GLU 87 HB1 GLU 87 16.156 -6.471 -1.027 379 HG2 GLU 87 HG2 GLU 87 18.163 -5.130 -1.402 380 HG3 GLU 87 HG1 GLU 87 18.694 -5.431 0.249 381 H GLN 88 HN GLN 88 14.496 -4.617 -1.671 382 HA GLN 88 HA GLN 88 16.021 -2.902 -3.320 383 HB2 GLN 88 HB2 GLN 88 14.170 -4.335 -4.141 384 HB3 GLN 88 HB1 GLN 88 13.018 -3.296 -3.302 385 HG2 GLN 88 HG2 GLN 88 13.762 -1.369 -4.648 386 HG3 GLN 88 HG1 GLN 88 14.934 -2.394 -5.475 387 HE21 GLN 88 HE21 GLN 88 14.166 -2.982 -7.501 388 HE22 GLN 88 HE22 GLN 88 12.545 -3.327 -7.867 389 H ALA 89 HN ALA 89 13.397 -2.241 -1.026 390 HA ALA 89 HA ALA 89 13.157 0.527 -1.521 391 HB1 ALA 89 HB1 ALA 89 12.536 -1.164 0.894 392 HB2 ALA 89 HB2 ALA 89 11.412 -0.588 -0.338 393 HB3 ALA 89 HB3 ALA 89 12.140 0.552 0.795 394 H LYS 90 HN LYS 90 15.169 -1.286 0.733 395 HA LYS 90 HA LYS 90 16.232 1.065 2.017 396 HB2 LYS 90 HB2 LYS 90 17.245 -1.787 2.030 397 HB3 LYS 90 HB1 LYS 90 17.807 -0.501 3.091 398 HG2 LYS 90 HG2 LYS 90 14.925 -1.428 2.967 399 HG3 LYS 90 HG1 LYS 90 16.090 -2.040 4.134 400 HD2 LYS 90 HD2 LYS 90 16.449 0.366 4.868 401 HD3 LYS 90 HD1 LYS 90 15.068 0.795 3.858 402 HE2 LYS 90 HE2 LYS 90 13.640 -0.764 5.101 403 HE3 LYS 90 HE1 LYS 90 15.009 -1.209 6.123 404 HZ1 LYS 90 HZ1 LYS 90 13.682 1.432 5.918 405 HZ2 LYS 90 HZ2 LYS 90 15.181 1.210 6.687 406 HZ3 LYS 90 HZ3 LYS 90 13.793 0.430 7.283 407 H ALA 91 HN ALA 91 17.403 -1.203 -0.423 408 HA ALA 91 HA ALA 91 19.973 -0.237 -0.729 409 HB1 ALA 91 HB1 ALA 91 19.661 -0.963 -3.198 410 HB2 ALA 91 HB2 ALA 91 18.053 -1.475 -2.684 411 HB3 ALA 91 HB3 ALA 91 19.486 -2.183 -1.935 412 H TYR 92 HN TYR 92 17.053 0.911 -2.551 413 HA TYR 92 HA TYR 92 18.379 2.865 -4.013 414 HB2 TYR 92 HB2 TYR 92 16.124 2.210 -4.563 415 HB3 TYR 92 HB1 TYR 92 15.534 2.763 -2.995 416 HD1 TYR 92 HD1 TYR 92 17.167 3.933 -6.147 417 HD2 TYR 92 HD2 TYR 92 14.915 5.022 -2.654 418 HE1 TYR 92 HE1 TYR 92 16.844 6.215 -7.064 419 HE2 TYR 92 HE2 TYR 92 14.593 7.303 -3.573 420 HH TYR 92 HH TYR 92 15.623 8.800 -5.164 421 H LYS 93 HN LYS 93 16.762 3.158 -0.826 422 HA LYS 93 HA LYS 93 17.140 5.918 -0.534 423 HB2 LYS 93 HB2 LYS 93 16.959 3.719 1.528 424 HB3 LYS 93 HB1 LYS 93 16.983 5.435 1.936 425 HG2 LYS 93 HG2 LYS 93 14.999 5.805 0.526 426 HG3 LYS 93 HG1 LYS 93 14.966 4.091 0.116 427 HD2 LYS 93 HD2 LYS 93 14.673 3.523 2.503 428 HD3 LYS 93 HD1 LYS 93 14.693 5.239 2.911 429 HE2 LYS 93 HE2 LYS 93 12.698 5.604 1.507 430 HE3 LYS 93 HE1 LYS 93 12.677 3.890 1.092 431 HZ1 LYS 93 HZ1 LYS 93 11.826 5.206 3.512 432 HZ2 LYS 93 HZ2 LYS 93 12.783 3.828 3.779 433 HZ3 LYS 93 HZ3 LYS 93 11.354 3.710 2.866 434 H GLU 94 HN GLU 94 19.240 3.234 0.654 435 HA GLU 94 HA GLU 94 21.159 4.795 1.870 436 HB2 GLU 94 HB2 GLU 94 21.050 2.325 1.987 437 HB3 GLU 94 HB1 GLU 94 21.602 2.234 0.316 438 HG2 GLU 94 HG2 GLU 94 23.698 3.364 0.924 439 HG3 GLU 94 HG1 GLU 94 23.143 3.518 2.590 440 H TYR 95 HN TYR 95 20.922 3.870 -1.560 441 HA TYR 95 HA TYR 95 23.392 4.914 -2.394 442 HB2 TYR 95 HB2 TYR 95 21.986 3.558 -3.872 443 HB3 TYR 95 HB1 TYR 95 20.757 4.821 -3.891 444 HD1 TYR 95 HD1 TYR 95 24.304 4.089 -4.787 445 HD2 TYR 95 HD2 TYR 95 20.912 6.655 -5.384 446 HE1 TYR 95 HE1 TYR 95 25.472 5.195 -6.675 447 HE2 TYR 95 HE2 TYR 95 22.080 7.760 -7.271 448 HH TYR 95 HH TYR 95 24.793 8.029 -7.850 449 H ASN 96 HN ASN 96 20.169 6.488 -2.359 450 HA ASN 96 HA ASN 96 21.038 9.033 -3.142 451 HB2 ASN 96 HB2 ASN 96 18.658 8.116 -1.530 452 HB3 ASN 96 HB1 ASN 96 18.889 9.790 -2.025 453 HD21 ASN 96 HD21 ASN 96 19.626 9.803 -4.583 454 HD22 ASN 96 HD22 ASN 96 18.587 8.897 -5.575 455 H ASP 97 HN ASP 97 20.900 7.512 0.017 456 HA ASP 97 HA ASP 97 21.134 9.658 1.730 457 HB2 ASP 97 HB2 ASP 97 21.029 7.220 2.379 458 HB3 ASP 97 HB1 ASP 97 22.753 7.124 2.026 459 H LYS 98 HN LYS 98 23.571 8.311 -0.405 460 HA LYS 98 HA LYS 98 25.852 9.570 0.676 461 HB2 LYS 98 HB2 LYS 98 25.174 8.710 -2.145 462 HB3 LYS 98 HB1 LYS 98 26.756 9.336 -1.684 463 HG2 LYS 98 HG2 LYS 98 25.548 7.072 -0.118 464 HG3 LYS 98 HG1 LYS 98 26.324 6.738 -1.665 465 HD2 LYS 98 HD2 LYS 98 28.384 7.878 -0.847 466 HD3 LYS 98 HD1 LYS 98 27.613 8.104 0.722 467 HE2 LYS 98 HE2 LYS 98 27.351 5.662 0.949 468 HE3 LYS 98 HE1 LYS 98 28.127 5.433 -0.618 469 HZ1 LYS 98 HZ1 LYS 98 29.459 5.391 1.663 470 HZ2 LYS 98 HZ2 LYS 98 29.562 7.055 1.330 471 HZ3 LYS 98 HZ3 LYS 98 30.152 5.922 0.209 472 H ASN 99 HN ASN 99 23.398 10.654 -1.584 473 HA ASN 99 HA ASN 99 24.716 13.276 -1.841 474 HB2 ASN 99 HB2 ASN 99 23.760 11.938 -3.833 475 HB3 ASN 99 HB1 ASN 99 22.182 12.456 -3.241 476 HD21 ASN 99 HD21 ASN 99 21.718 13.956 -4.943 477 HD22 ASN 99 HD22 ASN 99 22.633 15.364 -5.196 478 H GLY 100 HN GLY 100 22.755 11.887 0.316 479 HA2 GLY 100 HA2 GLY 100 21.509 12.831 2.034 480 HA3 GLY 100 HA1 GLY 100 21.720 14.405 1.270 481 H GLY 101 HN GLY 101 20.690 12.356 -1.068 482 HA2 GLY 101 HA2 GLY 101 18.183 13.566 -1.427 483 HA3 GLY 101 HA1 GLY 101 18.732 12.103 -2.231 484 H ALA 102 HN ALA 102 19.083 10.555 0.207 485 HA ALA 102 HA ALA 102 16.549 9.394 0.391 486 HB1 ALA 102 HB1 ALA 102 17.448 7.995 2.058 487 HB2 ALA 102 HB2 ALA 102 18.573 9.236 2.613 488 HB3 ALA 102 HB3 ALA 102 18.840 8.432 1.066 489 H ASN 103 HN ASN 103 18.129 11.708 2.625 490 HA ASN 103 HA ASN 103 17.259 12.893 4.401 491 HB2 ASN 103 HB2 ASN 103 14.842 13.011 2.584 492 HB3 ASN 103 HB1 ASN 103 15.243 14.141 3.877 493 HD21 ASN 103 HD21 ASN 103 17.731 14.960 3.560 494 HD22 ASN 103 HD22 ASN 103 18.070 15.498 1.986 495 H ARG 104 HN ARG 104 14.040 12.725 4.358 496 HA ARG 104 HA ARG 104 13.908 10.302 6.055 497 HB2 ARG 104 HB2 ARG 104 12.462 12.933 6.451 498 HB3 ARG 104 HB1 ARG 104 12.267 11.494 7.450 499 HG2 ARG 104 HG2 ARG 104 14.562 11.606 8.188 500 HG3 ARG 104 HG1 ARG 104 14.920 12.895 7.038 501 HD2 ARG 104 HD2 ARG 104 12.916 13.115 9.301 502 HD3 ARG 104 HD1 ARG 104 14.559 13.749 9.353 503 HE ARG 104 HE ARG 104 13.353 14.797 7.061 504 HH11 ARG 104 HH11 ARG 104 12.445 16.876 7.102 505 HH12 ARG 104 HH12 ARG 104 11.965 17.577 8.610 506 HH21 ARG 104 HH21 ARG 104 12.943 14.836 10.497 507 HH22 ARG 104 HH22 ARG 104 12.248 16.422 10.534 508 H LYS 105 HN LYS 105 12.151 12.540 3.977 509 HA LYS 105 HA LYS 105 10.316 12.303 2.631 510 HB2 LYS 105 HB2 LYS 105 11.078 9.378 2.673 511 HB3 LYS 105 HB1 LYS 105 10.117 10.213 1.451 512 HG2 LYS 105 HG2 LYS 105 12.030 11.632 0.876 513 HG3 LYS 105 HG1 LYS 105 12.990 10.881 2.143 514 HD2 LYS 105 HD2 LYS 105 13.679 9.731 0.216 515 HD3 LYS 105 HD1 LYS 105 12.470 8.652 0.910 516 HE2 LYS 105 HE2 LYS 105 10.769 9.532 -0.610 517 HE3 LYS 105 HE1 LYS 105 11.920 10.694 -1.261 518 HZ1 LYS 105 HZ1 LYS 105 11.470 8.210 -2.240 519 HZ2 LYS 105 HZ2 LYS 105 12.874 7.985 -1.308 520 HZ3 LYS 105 HZ3 LYS 105 12.850 9.148 -2.546 521 H VAL 106 HN VAL 106 10.238 11.535 5.699 522 HA VAL 106 HA VAL 106 7.422 10.690 5.576 523 HB VAL 106 HB VAL 106 7.752 9.131 7.451 524 HG11 VAL 106 HG11 VAL 106 7.855 8.313 5.114 525 HG12 VAL 106 HG12 VAL 106 8.898 7.371 6.177 526 HG13 VAL 106 HG13 VAL 106 9.597 8.585 5.105 527 HG21 VAL 106 HG21 VAL 106 10.114 8.473 8.005 528 HG22 VAL 106 HG22 VAL 106 9.711 10.118 8.495 529 HG23 VAL 106 HG23 VAL 106 10.672 9.840 7.044 530 H ASN 107 HN ASN 107 6.159 11.327 7.372 531 HA ASN 107 HA ASN 107 7.198 13.710 8.712 532 HB2 ASN 107 HB2 ASN 107 4.891 14.146 9.295 533 HB3 ASN 107 HB1 ASN 107 4.990 13.752 7.582 534 HD21 ASN 107 HD21 ASN 107 2.537 13.279 8.192 535 HD22 ASN 107 HD22 ASN 107 2.202 11.678 8.648 536 H ASP 108 HN ASP 108 7.367 10.571 9.326 537 HA ASP 108 HA ASP 108 7.668 10.958 12.180 538 HB2 ASP 108 HB2 ASP 108 5.256 10.490 12.014 539 HB3 ASP 108 HB1 ASP 108 5.607 8.997 11.144 Start of MODEL 6 1 HA THR 40 HA THR 40 -49.492 -22.397 9.765 2 HB THR 40 HB THR 40 -50.150 -22.111 6.820 3 HG1 THR 40 HG1 THR 40 -50.179 -24.199 7.227 4 HG21 THR 40 HG21 THR 40 -47.454 -22.516 6.961 5 HG22 THR 40 HG22 THR 40 -47.715 -21.485 8.368 6 HG23 THR 40 HG23 THR 40 -48.205 -20.933 6.766 7 H LYS 41 HN LYS 41 -50.433 -20.525 11.017 8 HA LYS 41 HA LYS 41 -50.529 -17.984 9.577 9 HB2 LYS 41 HB2 LYS 41 -50.844 -18.568 12.533 10 HB3 LYS 41 HB1 LYS 41 -51.200 -17.041 11.733 11 HG2 LYS 41 HG2 LYS 41 -52.580 -19.652 11.048 12 HG3 LYS 41 HG1 LYS 41 -53.227 -18.482 12.195 13 HD2 LYS 41 HD2 LYS 41 -53.132 -16.754 10.341 14 HD3 LYS 41 HD1 LYS 41 -52.741 -18.066 9.230 15 HE2 LYS 41 HE2 LYS 41 -54.815 -19.230 9.844 16 HE3 LYS 41 HE1 LYS 41 -55.222 -17.925 10.957 17 HZ1 LYS 41 HZ1 LYS 41 -54.967 -16.429 8.925 18 HZ2 LYS 41 HZ2 LYS 41 -56.361 -17.397 9.021 19 HZ3 LYS 41 HZ3 LYS 41 -55.075 -17.853 8.009 20 H GLN 42 HN GLN 42 -48.169 -19.918 10.871 21 HA GLN 42 HA GLN 42 -46.517 -18.095 12.257 22 HB2 GLN 42 HB2 GLN 42 -45.885 -20.609 10.702 23 HB3 GLN 42 HB1 GLN 42 -44.678 -19.713 11.625 24 HG2 GLN 42 HG2 GLN 42 -45.901 -20.046 13.679 25 HG3 GLN 42 HG1 GLN 42 -47.268 -20.742 12.810 26 HE21 GLN 42 HE21 GLN 42 -45.565 -22.035 14.918 27 HE22 GLN 42 HE22 GLN 42 -44.922 -23.426 14.187 28 H LYS 43 HN LYS 43 -46.790 -18.933 8.834 29 HA LYS 43 HA LYS 43 -45.861 -18.006 6.945 30 HB2 LYS 43 HB2 LYS 43 -47.308 -16.128 8.019 31 HB3 LYS 43 HB1 LYS 43 -45.758 -15.399 8.439 32 HG2 LYS 43 HG2 LYS 43 -45.080 -15.425 6.078 33 HG3 LYS 43 HG1 LYS 43 -46.597 -16.211 5.637 34 HD2 LYS 43 HD2 LYS 43 -47.816 -14.235 6.619 35 HD3 LYS 43 HD1 LYS 43 -46.254 -13.440 6.811 36 HE2 LYS 43 HE2 LYS 43 -47.372 -14.457 4.183 37 HE3 LYS 43 HE1 LYS 43 -47.377 -12.771 4.699 38 HZ1 LYS 43 HZ1 LYS 43 -44.982 -12.802 4.791 39 HZ2 LYS 43 HZ2 LYS 43 -45.496 -13.300 3.249 40 HZ3 LYS 43 HZ3 LYS 43 -44.945 -14.446 4.376 41 H GLU 44 HN GLU 44 -44.008 -19.150 8.809 42 HA GLU 44 HA GLU 44 -41.760 -19.290 9.215 43 HB2 GLU 44 HB2 GLU 44 -41.755 -17.571 6.732 44 HB3 GLU 44 HB1 GLU 44 -40.283 -18.181 7.483 45 HG2 GLU 44 HG2 GLU 44 -40.997 -20.470 7.182 46 HG3 GLU 44 HG1 GLU 44 -42.586 -19.947 6.622 47 H ALA 45 HN ALA 45 -40.228 -18.336 10.480 48 HA ALA 45 HA ALA 45 -40.855 -15.672 11.484 49 HB1 ALA 45 HB1 ALA 45 -39.239 -16.180 13.235 50 HB2 ALA 45 HB2 ALA 45 -38.724 -17.631 12.374 51 HB3 ALA 45 HB3 ALA 45 -40.350 -17.536 13.048 52 H VAL 46 HN VAL 46 -39.287 -16.659 8.871 53 HA VAL 46 HA VAL 46 -36.732 -15.892 8.686 54 HB VAL 46 HB VAL 46 -37.237 -14.936 6.434 55 HG11 VAL 46 HG11 VAL 46 -38.828 -17.148 5.962 56 HG12 VAL 46 HG12 VAL 46 -38.017 -17.570 7.470 57 HG13 VAL 46 HG13 VAL 46 -37.066 -17.162 6.042 58 HG21 VAL 46 HG21 VAL 46 -39.271 -14.047 6.055 59 HG22 VAL 46 HG22 VAL 46 -39.791 -14.534 7.670 60 HG23 VAL 46 HG23 VAL 46 -40.003 -15.632 6.306 61 H ASN 47 HN ASN 47 -35.588 -13.954 8.168 62 HA ASN 47 HA ASN 47 -36.303 -11.761 9.875 63 HB2 ASN 47 HB2 ASN 47 -34.024 -12.214 7.947 64 HB3 ASN 47 HB1 ASN 47 -34.200 -10.742 8.903 65 HD21 ASN 47 HD21 ASN 47 -31.980 -12.565 9.245 66 HD22 ASN 47 HD22 ASN 47 -32.103 -13.242 10.797 67 H ASP 48 HN ASP 48 -36.055 -9.485 9.008 68 HA ASP 48 HA ASP 48 -38.105 -9.021 7.055 69 HB2 ASP 48 HB2 ASP 48 -36.158 -7.192 8.468 70 HB3 ASP 48 HB1 ASP 48 -37.352 -6.609 7.309 71 H LYS 49 HN LYS 49 -37.898 -8.188 4.954 72 HA LYS 49 HA LYS 49 -35.708 -9.128 3.443 73 HB2 LYS 49 HB2 LYS 49 -37.881 -7.123 2.808 74 HB3 LYS 49 HB1 LYS 49 -36.690 -7.668 1.628 75 HG2 LYS 49 HG2 LYS 49 -37.408 -9.977 1.885 76 HG3 LYS 49 HG1 LYS 49 -38.490 -9.531 3.202 77 HD2 LYS 49 HD2 LYS 49 -39.937 -9.680 1.353 78 HD3 LYS 49 HD1 LYS 49 -39.606 -7.954 1.459 79 HE2 LYS 49 HE2 LYS 49 -39.410 -8.708 -0.865 80 HE3 LYS 49 HE1 LYS 49 -37.832 -8.209 -0.270 81 HZ1 LYS 49 HZ1 LYS 49 -37.044 -10.246 -0.568 82 HZ2 LYS 49 HZ2 LYS 49 -38.490 -10.642 -1.365 83 HZ3 LYS 49 HZ3 LYS 49 -38.321 -10.948 0.297 84 H GLY 50 HN GLY 50 -36.500 -5.930 4.727 85 HA2 GLY 50 HA2 GLY 50 -35.032 -4.219 5.327 86 HA3 GLY 50 HA1 GLY 50 -33.702 -5.171 4.679 87 H LYS 51 HN LYS 51 -36.412 -4.797 2.607 88 HA LYS 51 HA LYS 51 -34.832 -3.241 0.742 89 HB2 LYS 51 HB2 LYS 51 -37.667 -4.292 0.572 90 HB3 LYS 51 HB1 LYS 51 -36.804 -3.505 -0.747 91 HG2 LYS 51 HG2 LYS 51 -35.567 -5.869 0.639 92 HG3 LYS 51 HG1 LYS 51 -36.806 -6.130 -0.586 93 HD2 LYS 51 HD2 LYS 51 -35.454 -4.748 -2.179 94 HD3 LYS 51 HD1 LYS 51 -34.184 -4.647 -0.961 95 HE2 LYS 51 HE2 LYS 51 -35.283 -7.249 -2.051 96 HE3 LYS 51 HE1 LYS 51 -33.809 -6.475 -2.633 97 HZ1 LYS 51 HZ1 LYS 51 -33.434 -6.493 0.028 98 HZ2 LYS 51 HZ2 LYS 51 -32.830 -7.669 -1.038 99 HZ3 LYS 51 HZ3 LYS 51 -34.280 -7.945 -0.196 100 H ALA 52 HN ALA 52 -36.744 -2.493 3.346 101 HA ALA 52 HA ALA 52 -38.284 -0.310 2.462 102 HB1 ALA 52 HB1 ALA 52 -38.795 -1.043 4.623 103 HB2 ALA 52 HB2 ALA 52 -37.920 0.458 4.923 104 HB3 ALA 52 HB3 ALA 52 -37.100 -1.092 5.111 105 H ALA 53 HN ALA 53 -34.920 -0.552 3.512 106 HA ALA 53 HA ALA 53 -34.319 2.195 3.622 107 HB1 ALA 53 HB1 ALA 53 -32.103 0.613 2.625 108 HB2 ALA 53 HB2 ALA 53 -32.919 -0.203 3.959 109 HB3 ALA 53 HB3 ALA 53 -32.284 1.428 4.178 110 H VAL 54 HN VAL 54 -33.350 3.584 2.104 111 HA VAL 54 HA VAL 54 -34.373 3.400 -0.532 112 HB VAL 54 HB VAL 54 -32.215 5.179 0.624 113 HG11 VAL 54 HG11 VAL 54 -31.932 5.179 -1.754 114 HG12 VAL 54 HG12 VAL 54 -32.861 6.629 -1.373 115 HG13 VAL 54 HG13 VAL 54 -33.674 5.208 -2.028 116 HG21 VAL 54 HG21 VAL 54 -34.564 5.296 1.591 117 HG22 VAL 54 HG22 VAL 54 -35.114 5.790 -0.009 118 HG23 VAL 54 HG23 VAL 54 -33.975 6.799 0.882 119 H VAL 55 HN VAL 55 -33.577 2.518 -2.322 120 HA VAL 55 HA VAL 55 -31.389 0.748 -2.280 121 HB VAL 55 HB VAL 55 -32.895 2.020 -4.570 122 HG11 VAL 55 HG11 VAL 55 -30.985 1.411 -5.708 123 HG12 VAL 55 HG12 VAL 55 -31.795 -0.155 -5.684 124 HG13 VAL 55 HG13 VAL 55 -30.530 0.201 -4.507 125 HG21 VAL 55 HG21 VAL 55 -34.248 0.150 -4.498 126 HG22 VAL 55 HG22 VAL 55 -33.806 0.228 -2.793 127 HG23 VAL 55 HG23 VAL 55 -32.963 -0.884 -3.873 128 H LYS 56 HN LYS 56 -31.680 4.071 -3.500 129 HA LYS 56 HA LYS 56 -29.140 4.266 -4.685 130 HB2 LYS 56 HB2 LYS 56 -30.949 5.905 -5.036 131 HB3 LYS 56 HB1 LYS 56 -30.774 6.447 -3.367 132 HG2 LYS 56 HG2 LYS 56 -28.458 7.140 -3.811 133 HG3 LYS 56 HG1 LYS 56 -28.588 6.548 -5.469 134 HD2 LYS 56 HD2 LYS 56 -30.422 8.158 -5.889 135 HD3 LYS 56 HD1 LYS 56 -30.260 8.760 -4.239 136 HE2 LYS 56 HE2 LYS 56 -28.053 8.795 -6.318 137 HE3 LYS 56 HE1 LYS 56 -29.047 10.184 -5.880 138 HZ1 LYS 56 HZ1 LYS 56 -28.195 10.170 -3.698 139 HZ2 LYS 56 HZ2 LYS 56 -26.846 10.010 -4.720 140 HZ3 LYS 56 HZ3 LYS 56 -27.462 8.654 -3.900 141 H VAL 57 HN VAL 57 -30.200 4.882 -1.364 142 HA VAL 57 HA VAL 57 -27.822 6.004 -0.383 143 HB VAL 57 HB VAL 57 -30.006 4.435 0.987 144 HG11 VAL 57 HG11 VAL 57 -28.979 5.588 3.061 145 HG12 VAL 57 HG12 VAL 57 -27.528 5.775 2.075 146 HG13 VAL 57 HG13 VAL 57 -28.150 4.163 2.433 147 HG21 VAL 57 HG21 VAL 57 -30.534 6.675 -0.036 148 HG22 VAL 57 HG22 VAL 57 -29.307 7.388 1.010 149 HG23 VAL 57 HG23 VAL 57 -30.738 6.635 1.716 150 H VAL 58 HN VAL 58 -28.842 2.603 -0.582 151 HA VAL 58 HA VAL 58 -26.968 1.342 0.948 152 HB VAL 58 HB VAL 58 -28.799 0.379 -0.664 153 HG11 VAL 58 HG11 VAL 58 -26.414 -0.281 -2.359 154 HG12 VAL 58 HG12 VAL 58 -27.268 1.230 -2.653 155 HG13 VAL 58 HG13 VAL 58 -28.124 -0.303 -2.784 156 HG21 VAL 58 HG21 VAL 58 -27.399 -1.816 -0.702 157 HG22 VAL 58 HG22 VAL 58 -27.787 -1.099 0.862 158 HG23 VAL 58 HG23 VAL 58 -26.185 -0.872 0.162 159 H GLU 59 HN GLU 59 -26.370 3.232 -1.864 160 HA GLU 59 HA GLU 59 -23.942 2.102 -2.747 161 HB2 GLU 59 HB2 GLU 59 -25.011 4.927 -2.877 162 HB3 GLU 59 HB1 GLU 59 -23.511 4.425 -3.654 163 HG2 GLU 59 HG2 GLU 59 -24.687 2.789 -5.002 164 HG3 GLU 59 HG1 GLU 59 -26.192 3.101 -4.139 165 H SER 60 HN SER 60 -24.652 4.540 -0.276 166 HA SER 60 HA SER 60 -21.969 5.235 0.304 167 HB2 SER 60 HB2 SER 60 -22.862 6.141 2.398 168 HB3 SER 60 HB1 SER 60 -23.910 6.572 1.050 169 HG SER 60 HG SER 60 -25.327 4.978 1.665 170 H GLN 61 HN GLN 61 -24.113 2.714 1.517 171 HA GLN 61 HA GLN 61 -22.358 1.774 3.565 172 HB2 GLN 61 HB2 GLN 61 -24.714 0.511 2.153 173 HB3 GLN 61 HB1 GLN 61 -23.844 -0.268 3.475 174 HG2 GLN 61 HG2 GLN 61 -24.391 1.533 4.988 175 HG3 GLN 61 HG1 GLN 61 -25.073 2.493 3.676 176 HE21 GLN 61 HE21 GLN 61 -26.456 1.486 6.146 177 HE22 GLN 61 HE22 GLN 61 -27.755 0.551 5.583 178 H ALA 62 HN ALA 62 -22.677 1.210 0.154 179 HA ALA 62 HA ALA 62 -21.332 -1.259 -0.065 180 HB1 ALA 62 HB1 ALA 62 -21.292 0.989 -2.086 181 HB2 ALA 62 HB2 ALA 62 -22.652 -0.115 -1.879 182 HB3 ALA 62 HB3 ALA 62 -21.085 -0.736 -2.396 183 H GLU 63 HN GLU 63 -20.150 2.078 0.008 184 HA GLU 63 HA GLU 63 -17.470 1.560 -0.666 185 HB2 GLU 63 HB2 GLU 63 -18.455 3.823 -0.594 186 HB3 GLU 63 HB1 GLU 63 -18.565 3.713 1.162 187 HG2 GLU 63 HG2 GLU 63 -16.131 3.492 1.331 188 HG3 GLU 63 HG1 GLU 63 -15.990 3.509 -0.426 189 H LEU 64 HN LEU 64 -19.093 1.629 2.504 190 HA LEU 64 HA LEU 64 -16.778 1.175 4.059 191 HB2 LEU 64 HB2 LEU 64 -19.716 0.747 4.520 192 HB3 LEU 64 HB1 LEU 64 -18.534 0.201 5.709 193 HG LEU 64 HG LEU 64 -17.609 2.467 5.866 194 HD11 LEU 64 HD11 LEU 64 -19.104 4.279 4.707 195 HD12 LEU 64 HD12 LEU 64 -19.570 2.953 3.640 196 HD13 LEU 64 HD13 LEU 64 -17.880 3.440 3.753 197 HD21 LEU 64 HD21 LEU 64 -20.607 2.755 6.053 198 HD22 LEU 64 HD22 LEU 64 -19.371 3.412 7.125 199 HD23 LEU 64 HD23 LEU 64 -19.729 1.685 7.148 200 H TYR 65 HN TYR 65 -19.086 -1.027 2.533 201 HA TYR 65 HA TYR 65 -18.159 -3.431 3.650 202 HB2 TYR 65 HB2 TYR 65 -20.253 -3.333 2.423 203 HB3 TYR 65 HB1 TYR 65 -19.400 -2.901 0.941 204 HD1 TYR 65 HD1 TYR 65 -19.722 -5.578 3.522 205 HD2 TYR 65 HD2 TYR 65 -18.475 -4.568 -0.463 206 HE1 TYR 65 HE1 TYR 65 -19.371 -7.981 3.024 207 HE2 TYR 65 HE2 TYR 65 -18.124 -6.972 -0.962 208 HH TYR 65 HH TYR 65 -17.761 -9.044 0.148 209 H SER 66 HN SER 66 -17.236 -1.800 0.620 210 HA SER 66 HA SER 66 -15.347 -3.709 -0.227 211 HB2 SER 66 HB2 SER 66 -15.529 -0.740 -0.768 212 HB3 SER 66 HB1 SER 66 -14.422 -1.828 -1.598 213 HG SER 66 HG SER 66 -17.214 -1.646 -1.718 214 H LEU 67 HN LEU 67 -15.003 -0.826 1.823 215 HA LEU 67 HA LEU 67 -12.188 -0.881 2.022 216 HB2 LEU 67 HB2 LEU 67 -14.319 0.190 3.873 217 HB3 LEU 67 HB1 LEU 67 -12.597 0.414 4.167 218 HG LEU 67 HG LEU 67 -13.997 1.231 1.603 219 HD11 LEU 67 HD11 LEU 67 -13.213 2.907 4.005 220 HD12 LEU 67 HD12 LEU 67 -14.860 2.539 3.492 221 HD13 LEU 67 HD13 LEU 67 -13.822 3.542 2.477 222 HD21 LEU 67 HD21 LEU 67 -11.850 1.355 0.889 223 HD22 LEU 67 HD22 LEU 67 -11.202 1.183 2.520 224 HD23 LEU 67 HD23 LEU 67 -11.715 2.765 1.937 225 H GLU 68 HN GLU 68 -14.719 -2.433 3.966 226 HA GLU 68 HA GLU 68 -12.991 -3.498 5.945 227 HB2 GLU 68 HB2 GLU 68 -15.714 -4.383 4.969 228 HB3 GLU 68 HB1 GLU 68 -14.889 -5.106 6.352 229 HG2 GLU 68 HG2 GLU 68 -15.448 -2.139 6.113 230 HG3 GLU 68 HG1 GLU 68 -16.521 -3.262 6.944 231 H LYS 69 HN LYS 69 -14.138 -4.722 2.839 232 HA LYS 69 HA LYS 69 -13.028 -7.321 3.100 233 HB2 LYS 69 HB2 LYS 69 -14.849 -6.623 1.485 234 HB3 LYS 69 HB1 LYS 69 -13.592 -5.858 0.517 235 HG2 LYS 69 HG2 LYS 69 -13.702 -7.963 -0.477 236 HG3 LYS 69 HG1 LYS 69 -12.421 -8.217 0.705 237 HD2 LYS 69 HD2 LYS 69 -14.039 -9.200 2.275 238 HD3 LYS 69 HD1 LYS 69 -15.348 -8.887 1.138 239 HE2 LYS 69 HE2 LYS 69 -12.952 -10.662 0.597 240 HE3 LYS 69 HE1 LYS 69 -14.568 -11.234 1.006 241 HZ1 LYS 69 HZ1 LYS 69 -13.709 -9.769 -1.418 242 HZ2 LYS 69 HZ2 LYS 69 -15.344 -9.903 -0.973 243 HZ3 LYS 69 HZ3 LYS 69 -14.438 -11.298 -1.320 244 H ASN 70 HN ASN 70 -11.777 -4.253 1.920 245 HA ASN 70 HA ASN 70 -9.673 -3.603 1.262 246 HB2 ASN 70 HB2 ASN 70 -8.845 -6.041 2.854 247 HB3 ASN 70 HB1 ASN 70 -7.775 -4.745 2.331 248 HD21 ASN 70 HD21 ASN 70 -9.185 -5.764 5.067 249 HD22 ASN 70 HD22 ASN 70 -9.542 -4.280 5.811 250 H GLU 71 HN GLU 71 -11.004 -4.878 -0.710 251 HA GLU 71 HA GLU 71 -9.798 -7.163 -1.821 252 HB2 GLU 71 HB2 GLU 71 -11.248 -4.845 -3.114 253 HB3 GLU 71 HB1 GLU 71 -10.757 -6.296 -3.987 254 HG2 GLU 71 HG2 GLU 71 -12.092 -7.689 -2.485 255 HG3 GLU 71 HG1 GLU 71 -12.529 -6.270 -1.534 256 H ASP 72 HN ASP 72 -9.055 -3.713 -2.159 257 HA ASP 72 HA ASP 72 -7.042 -4.050 -4.156 258 HB2 ASP 72 HB2 ASP 72 -7.656 -1.825 -2.206 259 HB3 ASP 72 HB1 ASP 72 -6.347 -1.731 -3.382 260 H ALA 73 HN ALA 73 -4.810 -4.160 -3.941 261 HA ALA 73 HA ALA 73 -3.803 -5.551 -1.690 262 HB1 ALA 73 HB1 ALA 73 -1.831 -4.091 -3.318 263 HB2 ALA 73 HB2 ALA 73 -2.922 -5.122 -4.243 264 HB3 ALA 73 HB3 ALA 73 -1.940 -5.813 -2.951 265 H SER 74 HN SER 74 -2.698 -4.885 0.088 266 HA SER 74 HA SER 74 -2.539 -1.961 0.528 267 HB2 SER 74 HB2 SER 74 -2.767 -2.396 2.881 268 HB3 SER 74 HB1 SER 74 -4.037 -3.295 2.053 269 HG SER 74 HG SER 74 -1.517 -4.304 2.899 270 H LEU 75 HN LEU 75 -0.742 -1.245 1.903 271 HA LEU 75 HA LEU 75 1.752 -1.850 0.879 272 HB2 LEU 75 HB2 LEU 75 1.332 0.093 2.348 273 HB3 LEU 75 HB1 LEU 75 1.159 -0.985 3.728 274 HG LEU 75 HG LEU 75 3.492 -1.758 3.415 275 HD11 LEU 75 HD11 LEU 75 4.062 -1.545 1.177 276 HD12 LEU 75 HD12 LEU 75 4.820 -0.091 1.827 277 HD13 LEU 75 HD13 LEU 75 3.259 0.017 1.014 278 HD21 LEU 75 HD21 LEU 75 3.223 1.263 3.515 279 HD22 LEU 75 HD22 LEU 75 4.589 0.326 4.121 280 HD23 LEU 75 HD23 LEU 75 3.008 0.174 4.888 281 H ARG 76 HN ARG 76 0.196 -3.268 3.756 282 HA ARG 76 HA ARG 76 2.293 -4.999 4.460 283 HB2 ARG 76 HB2 ARG 76 -0.697 -5.248 4.832 284 HB3 ARG 76 HB1 ARG 76 0.467 -6.366 5.542 285 HG2 ARG 76 HG2 ARG 76 1.516 -4.585 6.797 286 HG3 ARG 76 HG1 ARG 76 0.542 -3.369 5.969 287 HD2 ARG 76 HD2 ARG 76 -0.617 -5.584 7.679 288 HD3 ARG 76 HD1 ARG 76 -0.305 -3.952 8.262 289 HE ARG 76 HE ARG 76 -1.863 -3.729 5.945 290 HH11 ARG 76 HH11 ARG 76 -4.107 -3.439 6.122 291 HH12 ARG 76 HH12 ARG 76 -4.925 -3.909 7.574 292 HH21 ARG 76 HH21 ARG 76 -2.046 -5.030 9.148 293 HH22 ARG 76 HH22 ARG 76 -3.758 -4.810 9.287 294 H LYS 77 HN LYS 77 -0.421 -5.414 2.190 295 HA LYS 77 HA LYS 77 0.210 -8.139 1.553 296 HB2 LYS 77 HB2 LYS 77 -1.323 -6.065 -0.044 297 HB3 LYS 77 HB1 LYS 77 -1.328 -7.801 -0.344 298 HG2 LYS 77 HG2 LYS 77 -2.114 -6.709 2.352 299 HG3 LYS 77 HG1 LYS 77 -3.285 -6.778 1.038 300 HD2 LYS 77 HD2 LYS 77 -2.788 -9.222 0.794 301 HD3 LYS 77 HD1 LYS 77 -1.752 -9.116 2.215 302 HE2 LYS 77 HE2 LYS 77 -3.662 -8.334 3.560 303 HE3 LYS 77 HE1 LYS 77 -4.703 -8.434 2.140 304 HZ1 LYS 77 HZ1 LYS 77 -4.924 -10.614 2.398 305 HZ2 LYS 77 HZ2 LYS 77 -4.204 -10.440 3.926 306 HZ3 LYS 77 HZ3 LYS 77 -3.254 -10.851 2.578 307 H LEU 78 HN LEU 78 0.657 -5.076 -0.184 308 HA LEU 78 HA LEU 78 1.958 -5.734 -2.419 309 HB2 LEU 78 HB2 LEU 78 2.681 -3.547 -0.465 310 HB3 LEU 78 HB1 LEU 78 3.384 -3.656 -2.073 311 HG LEU 78 HG LEU 78 0.396 -3.550 -1.550 312 HD11 LEU 78 HD11 LEU 78 1.252 -1.171 -2.782 313 HD12 LEU 78 HD12 LEU 78 2.386 -1.450 -1.459 314 HD13 LEU 78 HD13 LEU 78 0.654 -1.357 -1.132 315 HD21 LEU 78 HD21 LEU 78 2.128 -3.575 -3.996 316 HD22 LEU 78 HD22 LEU 78 0.637 -2.643 -4.029 317 HD23 LEU 78 HD23 LEU 78 0.583 -4.372 -3.711 318 H GLN 79 HN GLN 79 3.509 -5.573 0.778 319 HA GLN 79 HA GLN 79 6.085 -6.323 -0.132 320 HB2 GLN 79 HB2 GLN 79 5.570 -5.228 2.077 321 HB3 GLN 79 HB1 GLN 79 4.961 -6.790 2.626 322 HG2 GLN 79 HG2 GLN 79 7.162 -7.813 2.147 323 HG3 GLN 79 HG1 GLN 79 7.768 -6.244 1.610 324 HE21 GLN 79 HE21 GLN 79 9.213 -7.240 3.659 325 HE22 GLN 79 HE22 GLN 79 8.805 -6.509 5.136 326 H ALA 80 HN ALA 80 3.366 -8.192 1.115 327 HA ALA 80 HA ALA 80 4.795 -10.696 0.963 328 HB1 ALA 80 HB1 ALA 80 3.037 -10.453 2.615 329 HB2 ALA 80 HB2 ALA 80 2.557 -11.687 1.449 330 HB3 ALA 80 HB3 ALA 80 1.862 -10.069 1.358 331 H ASP 81 HN ASP 81 3.170 -8.697 -1.242 332 HA ASP 81 HA ASP 81 2.515 -10.896 -3.069 333 HB2 ASP 81 HB2 ASP 81 1.945 -7.935 -3.154 334 HB3 ASP 81 HB1 ASP 81 1.554 -9.034 -4.474 335 H GLY 82 HN GLY 82 5.310 -9.420 -2.377 336 HA2 GLY 82 HA2 GLY 82 7.288 -9.347 -3.539 337 HA3 GLY 82 HA1 GLY 82 6.441 -10.021 -4.925 338 H ARG 83 HN ARG 83 4.734 -7.332 -3.968 339 HA ARG 83 HA ARG 83 5.469 -5.859 -6.277 340 HB2 ARG 83 HB2 ARG 83 3.890 -5.115 -3.815 341 HB3 ARG 83 HB1 ARG 83 4.092 -4.032 -5.192 342 HG2 ARG 83 HG2 ARG 83 3.144 -6.836 -5.681 343 HG3 ARG 83 HG1 ARG 83 1.998 -5.649 -5.062 344 HD2 ARG 83 HD2 ARG 83 2.538 -4.151 -6.955 345 HD3 ARG 83 HD1 ARG 83 3.663 -5.348 -7.584 346 HE ARG 83 HE ARG 83 1.845 -6.631 -8.305 347 HH11 ARG 83 HH11 ARG 83 -0.366 -6.855 -8.783 348 HH12 ARG 83 HH12 ARG 83 -1.517 -5.784 -8.056 349 HH21 ARG 83 HH21 ARG 83 0.867 -4.000 -6.282 350 HH22 ARG 83 HH22 ARG 83 -0.819 -4.167 -6.641 351 H ILE 84 HN ILE 84 6.299 -5.502 -2.855 352 HA ILE 84 HA ILE 84 8.615 -3.875 -3.659 353 HB ILE 84 HB ILE 84 8.249 -2.317 -1.803 354 HG12 ILE 84 HG12 ILE 84 5.598 -2.648 -1.067 355 HG13 ILE 84 HG11 ILE 84 6.204 -4.297 -1.122 356 HG21 ILE 84 HG21 ILE 84 6.905 -2.301 -4.179 357 HG22 ILE 84 HG22 ILE 84 6.824 -0.996 -2.999 358 HG23 ILE 84 HG23 ILE 84 5.563 -2.228 -3.037 359 HD11 ILE 84 HD11 ILE 84 8.069 -3.676 0.360 360 HD12 ILE 84 HD12 ILE 84 6.523 -3.293 1.119 361 HD13 ILE 84 HD13 ILE 84 7.491 -2.010 0.394 362 H THR 85 HN THR 85 10.449 -4.281 -2.430 363 HA THR 85 HA THR 85 10.140 -6.361 -0.341 364 HB THR 85 HB THR 85 12.407 -7.099 -0.894 365 HG1 THR 85 HG1 THR 85 13.581 -5.662 -1.842 366 HG21 THR 85 HG21 THR 85 11.916 -8.032 -3.112 367 HG22 THR 85 HG22 THR 85 10.628 -6.850 -3.333 368 HG23 THR 85 HG23 THR 85 10.482 -8.089 -2.086 369 H GLU 86 HN GLU 86 11.295 -6.173 1.570 370 HA GLU 86 HA GLU 86 11.729 -3.561 2.547 371 HB2 GLU 86 HB2 GLU 86 11.199 -5.497 3.994 372 HB3 GLU 86 HB1 GLU 86 12.781 -6.188 3.632 373 HG2 GLU 86 HG2 GLU 86 13.889 -4.238 4.626 374 HG3 GLU 86 HG1 GLU 86 12.323 -3.487 4.933 375 H GLU 87 HN GLU 87 13.912 -6.050 1.329 376 HA GLU 87 HA GLU 87 16.348 -4.740 1.915 377 HB2 GLU 87 HB2 GLU 87 15.608 -6.737 -0.232 378 HB3 GLU 87 HB1 GLU 87 17.258 -6.174 0.037 379 HG2 GLU 87 HG2 GLU 87 17.238 -7.015 2.310 380 HG3 GLU 87 HG1 GLU 87 15.529 -7.432 2.183 381 H GLN 88 HN GLN 88 14.270 -4.674 -0.979 382 HA GLN 88 HA GLN 88 15.957 -2.887 -2.439 383 HB2 GLN 88 HB2 GLN 88 14.276 -4.375 -3.515 384 HB3 GLN 88 HB1 GLN 88 12.996 -3.386 -2.809 385 HG2 GLN 88 HG2 GLN 88 13.865 -1.405 -3.991 386 HG3 GLN 88 HG1 GLN 88 15.150 -2.386 -4.693 387 HE21 GLN 88 HE21 GLN 88 14.659 -2.969 -6.803 388 HE22 GLN 88 HE22 GLN 88 13.101 -3.316 -7.383 389 H ALA 89 HN ALA 89 13.143 -2.469 -0.330 390 HA ALA 89 HA ALA 89 12.668 0.250 -0.825 391 HB1 ALA 89 HB1 ALA 89 11.297 -1.481 0.556 392 HB2 ALA 89 HB2 ALA 89 11.293 0.205 1.072 393 HB3 ALA 89 HB3 ALA 89 12.314 -0.967 1.903 394 H LYS 90 HN LYS 90 14.711 -1.289 1.674 395 HA LYS 90 HA LYS 90 15.624 1.138 2.806 396 HB2 LYS 90 HB2 LYS 90 16.362 -1.724 2.974 397 HB3 LYS 90 HB1 LYS 90 17.631 -0.573 3.393 398 HG2 LYS 90 HG2 LYS 90 16.254 -1.224 5.367 399 HG3 LYS 90 HG1 LYS 90 16.165 0.503 5.025 400 HD2 LYS 90 HD2 LYS 90 13.977 0.385 4.275 401 HD3 LYS 90 HD1 LYS 90 14.138 -1.292 3.756 402 HE2 LYS 90 HE2 LYS 90 14.060 -0.362 6.641 403 HE3 LYS 90 HE1 LYS 90 12.708 -1.089 5.773 404 HZ1 LYS 90 HZ1 LYS 90 14.837 -2.372 7.075 405 HZ2 LYS 90 HZ2 LYS 90 14.928 -2.736 5.418 406 HZ3 LYS 90 HZ3 LYS 90 13.507 -3.071 6.288 407 H ALA 91 HN ALA 91 16.762 -0.817 0.115 408 HA ALA 91 HA ALA 91 19.314 0.332 -0.197 409 HB1 ALA 91 HB1 ALA 91 18.054 -1.682 -1.427 410 HB2 ALA 91 HB2 ALA 91 19.424 -0.848 -2.161 411 HB3 ALA 91 HB3 ALA 91 17.777 -0.425 -2.632 412 H TYR 92 HN TYR 92 16.143 1.287 -1.464 413 HA TYR 92 HA TYR 92 17.008 3.386 -3.129 414 HB2 TYR 92 HB2 TYR 92 14.736 2.507 -3.251 415 HB3 TYR 92 HB1 TYR 92 14.409 3.066 -1.610 416 HD1 TYR 92 HD1 TYR 92 15.346 4.234 -5.028 417 HD2 TYR 92 HD2 TYR 92 13.729 5.296 -1.193 418 HE1 TYR 92 HE1 TYR 92 14.712 6.462 -5.912 419 HE2 TYR 92 HE2 TYR 92 13.096 7.525 -2.077 420 HH TYR 92 HH TYR 92 14.150 8.622 -5.217 421 H LYS 93 HN LYS 93 15.944 3.392 0.259 422 HA LYS 93 HA LYS 93 16.213 6.153 0.723 423 HB2 LYS 93 HB2 LYS 93 16.353 3.773 2.577 424 HB3 LYS 93 HB1 LYS 93 16.406 5.441 3.148 425 HG2 LYS 93 HG2 LYS 93 14.231 5.910 2.219 426 HG3 LYS 93 HG1 LYS 93 14.198 4.357 1.384 427 HD2 LYS 93 HD2 LYS 93 12.833 4.237 3.419 428 HD3 LYS 93 HD1 LYS 93 14.247 3.194 3.577 429 HE2 LYS 93 HE2 LYS 93 14.405 6.034 4.542 430 HE3 LYS 93 HE1 LYS 93 13.601 4.825 5.541 431 HZ1 LYS 93 HZ1 LYS 93 16.009 3.759 4.562 432 HZ2 LYS 93 HZ2 LYS 93 15.560 4.058 6.172 433 HZ3 LYS 93 HZ3 LYS 93 16.334 5.268 5.265 434 H GLU 94 HN GLU 94 18.549 3.496 0.975 435 HA GLU 94 HA GLU 94 20.615 4.926 2.249 436 HB2 GLU 94 HB2 GLU 94 20.555 2.459 2.037 437 HB3 GLU 94 HB1 GLU 94 20.829 2.616 0.303 438 HG2 GLU 94 HG2 GLU 94 22.978 3.723 0.714 439 HG3 GLU 94 HG1 GLU 94 22.698 3.654 2.453 440 H TYR 95 HN TYR 95 19.680 4.595 -1.134 441 HA TYR 95 HA TYR 95 21.973 5.744 -2.314 442 HB2 TYR 95 HB2 TYR 95 20.333 4.532 -3.645 443 HB3 TYR 95 HB1 TYR 95 19.094 5.723 -3.249 444 HD1 TYR 95 HD1 TYR 95 22.417 5.315 -4.897 445 HD2 TYR 95 HD2 TYR 95 18.884 7.724 -4.496 446 HE1 TYR 95 HE1 TYR 95 23.163 6.724 -6.797 447 HE2 TYR 95 HE2 TYR 95 19.628 9.133 -6.397 448 HH TYR 95 HH TYR 95 22.744 8.528 -8.021 449 H ASN 96 HN ASN 96 18.906 7.155 -1.249 450 HA ASN 96 HA ASN 96 19.414 9.809 -2.050 451 HB2 ASN 96 HB2 ASN 96 17.197 8.883 -1.300 452 HB3 ASN 96 HB1 ASN 96 17.794 8.960 0.357 453 HD21 ASN 96 HD21 ASN 96 16.355 10.660 1.049 454 HD22 ASN 96 HD22 ASN 96 16.462 12.239 0.437 455 H ASP 97 HN ASP 97 20.078 8.134 1.015 456 HA ASP 97 HA ASP 97 21.096 10.362 2.415 457 HB2 ASP 97 HB2 ASP 97 20.462 8.218 3.486 458 HB3 ASP 97 HB1 ASP 97 21.855 7.447 2.730 459 H LYS 98 HN LYS 98 22.691 7.907 0.410 460 HA LYS 98 HA LYS 98 25.345 8.759 0.804 461 HB2 LYS 98 HB2 LYS 98 24.727 6.600 -0.214 462 HB3 LYS 98 HB1 LYS 98 24.122 7.446 -1.635 463 HG2 LYS 98 HG2 LYS 98 26.361 8.362 -2.072 464 HG3 LYS 98 HG1 LYS 98 26.979 7.571 -0.621 465 HD2 LYS 98 HD2 LYS 98 26.380 5.368 -1.578 466 HD3 LYS 98 HD1 LYS 98 25.793 6.170 -3.036 467 HE2 LYS 98 HE2 LYS 98 28.631 6.358 -1.981 468 HE3 LYS 98 HE1 LYS 98 28.115 5.313 -3.306 469 HZ1 LYS 98 HZ1 LYS 98 28.542 8.173 -3.265 470 HZ2 LYS 98 HZ2 LYS 98 27.125 7.683 -4.063 471 HZ3 LYS 98 HZ3 LYS 98 28.633 7.079 -4.559 472 H ASN 99 HN ASN 99 22.926 9.662 -1.622 473 HA ASN 99 HA ASN 99 24.553 11.320 -3.197 474 HB2 ASN 99 HB2 ASN 99 22.267 10.558 -3.829 475 HB3 ASN 99 HB1 ASN 99 21.599 11.664 -2.628 476 HD21 ASN 99 HD21 ASN 99 20.900 13.568 -3.591 477 HD22 ASN 99 HD22 ASN 99 21.647 14.323 -4.913 478 H GLY 100 HN GLY 100 22.853 11.893 -0.176 479 HA2 GLY 100 HA2 GLY 100 24.175 13.639 1.170 480 HA3 GLY 100 HA1 GLY 100 23.776 14.699 -0.178 481 H GLY 101 HN GLY 101 22.993 15.394 2.352 482 HA2 GLY 101 HA2 GLY 101 20.268 14.536 2.841 483 HA3 GLY 101 HA1 GLY 101 21.164 15.747 3.751 484 H ALA 102 HN ALA 102 21.730 16.746 0.774 485 HA ALA 102 HA ALA 102 20.225 19.036 0.846 486 HB1 ALA 102 HB1 ALA 102 20.521 18.032 -1.891 487 HB2 ALA 102 HB2 ALA 102 22.007 17.937 -0.945 488 HB3 ALA 102 HB3 ALA 102 21.186 19.485 -1.144 489 H ASN 103 HN ASN 103 19.313 16.011 -0.883 490 HA ASN 103 HA ASN 103 16.606 17.104 -1.203 491 HB2 ASN 103 HB2 ASN 103 17.803 16.091 -3.165 492 HB3 ASN 103 HB1 ASN 103 17.759 14.542 -2.323 493 HD21 ASN 103 HD21 ASN 103 16.279 13.515 -3.801 494 HD22 ASN 103 HD22 ASN 103 14.663 14.012 -3.954 495 H ARG 104 HN ARG 104 15.396 16.767 0.585 496 HA ARG 104 HA ARG 104 14.706 14.112 1.351 497 HB2 ARG 104 HB2 ARG 104 15.557 14.111 3.633 498 HB3 ARG 104 HB1 ARG 104 16.897 14.273 2.499 499 HG2 ARG 104 HG2 ARG 104 16.754 16.776 2.821 500 HG3 ARG 104 HG1 ARG 104 15.599 16.477 4.120 501 HD2 ARG 104 HD2 ARG 104 18.401 15.328 4.016 502 HD3 ARG 104 HD1 ARG 104 17.937 16.744 4.954 503 HE ARG 104 HE ARG 104 17.273 13.966 5.549 504 HH11 ARG 104 HH11 ARG 104 16.338 13.645 7.594 505 HH12 ARG 104 HH12 ARG 104 15.778 15.005 8.509 506 HH21 ARG 104 HH21 ARG 104 16.689 17.334 6.107 507 HH22 ARG 104 HH22 ARG 104 15.977 17.092 7.667 508 H LYS 105 HN LYS 105 13.061 14.054 3.021 509 HA LYS 105 HA LYS 105 11.134 16.072 2.774 510 HB2 LYS 105 HB2 LYS 105 11.492 13.966 4.920 511 HB3 LYS 105 HB1 LYS 105 10.026 14.920 4.677 512 HG2 LYS 105 HG2 LYS 105 9.816 14.044 2.390 513 HG3 LYS 105 HG1 LYS 105 11.295 13.106 2.608 514 HD2 LYS 105 HD2 LYS 105 10.241 11.864 4.457 515 HD3 LYS 105 HD1 LYS 105 8.761 12.799 4.241 516 HE2 LYS 105 HE2 LYS 105 8.576 10.641 3.094 517 HE3 LYS 105 HE1 LYS 105 8.580 11.955 1.919 518 HZ1 LYS 105 HZ1 LYS 105 10.209 9.804 1.852 519 HZ2 LYS 105 HZ2 LYS 105 11.201 10.972 2.585 520 HZ3 LYS 105 HZ3 LYS 105 10.510 11.275 1.064 521 H VAL 106 HN VAL 106 10.392 17.651 4.249 522 HA VAL 106 HA VAL 106 12.519 18.735 5.959 523 HB VAL 106 HB VAL 106 9.957 19.979 4.935 524 HG11 VAL 106 HG11 VAL 106 10.299 21.330 6.741 525 HG12 VAL 106 HG12 VAL 106 11.574 22.026 5.739 526 HG13 VAL 106 HG13 VAL 106 11.968 20.800 6.945 527 HG21 VAL 106 HG21 VAL 106 12.129 19.427 3.457 528 HG22 VAL 106 HG22 VAL 106 12.694 20.923 4.203 529 HG23 VAL 106 HG23 VAL 106 11.213 20.920 3.243 530 H ASN 107 HN ASN 107 12.377 18.785 8.110 531 HA ASN 107 HA ASN 107 10.537 17.254 9.546 532 HB2 ASN 107 HB2 ASN 107 12.808 18.097 10.321 533 HB3 ASN 107 HB1 ASN 107 12.017 19.633 10.671 534 HD21 ASN 107 HD21 ASN 107 12.162 19.486 12.986 535 HD22 ASN 107 HD22 ASN 107 11.331 18.302 13.876 536 H ASP 108 HN ASP 108 8.628 17.669 10.549 537 HA ASP 108 HA ASP 108 6.964 19.727 9.588 538 HB2 ASP 108 HB2 ASP 108 6.373 18.514 12.242 539 HB3 ASP 108 HB1 ASP 108 5.315 18.758 10.853 Start of MODEL 7 1 HA THR 40 HA THR 40 -51.692 -16.222 4.832 2 HB THR 40 HB THR 40 -54.616 -16.102 4.435 3 HG1 THR 40 HG1 THR 40 -53.795 -17.862 6.416 4 HG21 THR 40 HG21 THR 40 -52.877 -17.536 3.221 5 HG22 THR 40 HG22 THR 40 -54.306 -18.380 3.818 6 HG23 THR 40 HG23 THR 40 -52.784 -18.490 4.702 7 H LYS 41 HN LYS 41 -52.389 -13.184 5.452 8 HA LYS 41 HA LYS 41 -53.348 -12.373 2.810 9 HB2 LYS 41 HB2 LYS 41 -52.650 -10.775 5.283 10 HB3 LYS 41 HB1 LYS 41 -53.242 -10.074 3.777 11 HG2 LYS 41 HG2 LYS 41 -55.291 -11.442 3.946 12 HG3 LYS 41 HG1 LYS 41 -54.702 -12.132 5.460 13 HD2 LYS 41 HD2 LYS 41 -54.659 -9.882 6.471 14 HD3 LYS 41 HD1 LYS 41 -55.250 -9.190 4.959 15 HE2 LYS 41 HE2 LYS 41 -57.302 -10.545 5.134 16 HE3 LYS 41 HE1 LYS 41 -56.714 -11.244 6.644 17 HZ1 LYS 41 HZ1 LYS 41 -57.386 -9.468 7.761 18 HZ2 LYS 41 HZ2 LYS 41 -58.165 -8.927 6.352 19 HZ3 LYS 41 HZ3 LYS 41 -56.587 -8.407 6.707 20 H GLN 42 HN GLN 42 -50.434 -13.173 4.186 21 HA GLN 42 HA GLN 42 -48.919 -12.231 1.977 22 HB2 GLN 42 HB2 GLN 42 -47.399 -10.743 3.459 23 HB3 GLN 42 HB1 GLN 42 -48.914 -10.065 2.871 24 HG2 GLN 42 HG2 GLN 42 -50.009 -10.604 5.004 25 HG3 GLN 42 HG1 GLN 42 -48.514 -11.320 5.604 26 HE21 GLN 42 HE21 GLN 42 -50.295 -8.501 5.731 27 HE22 GLN 42 HE22 GLN 42 -49.043 -7.405 6.066 28 H LYS 43 HN LYS 43 -47.061 -11.944 4.771 29 HA LYS 43 HA LYS 43 -46.454 -14.820 4.872 30 HB2 LYS 43 HB2 LYS 43 -43.975 -14.095 4.981 31 HB3 LYS 43 HB1 LYS 43 -44.758 -14.135 3.402 32 HG2 LYS 43 HG2 LYS 43 -45.199 -11.700 3.569 33 HG3 LYS 43 HG1 LYS 43 -44.378 -11.668 5.129 34 HD2 LYS 43 HD2 LYS 43 -42.321 -12.549 4.010 35 HD3 LYS 43 HD1 LYS 43 -43.152 -12.414 2.460 36 HE2 LYS 43 HE2 LYS 43 -42.662 -10.116 4.380 37 HE3 LYS 43 HE1 LYS 43 -41.731 -10.431 2.915 38 HZ1 LYS 43 HZ1 LYS 43 -43.280 -9.445 1.703 39 HZ2 LYS 43 HZ2 LYS 43 -44.086 -8.998 3.131 40 HZ3 LYS 43 HZ3 LYS 43 -44.497 -10.441 2.338 41 H GLU 44 HN GLU 44 -47.473 -14.870 6.903 42 HA GLU 44 HA GLU 44 -46.686 -13.115 9.033 43 HB2 GLU 44 HB2 GLU 44 -48.094 -14.489 10.434 44 HB3 GLU 44 HB1 GLU 44 -48.919 -14.239 8.896 45 HG2 GLU 44 HG2 GLU 44 -47.931 -16.447 8.130 46 HG3 GLU 44 HG1 GLU 44 -47.408 -16.705 9.793 47 H ALA 45 HN ALA 45 -45.313 -15.839 7.590 48 HA ALA 45 HA ALA 45 -44.093 -17.125 9.792 49 HB1 ALA 45 HB1 ALA 45 -43.125 -16.884 6.933 50 HB2 ALA 45 HB2 ALA 45 -44.180 -18.146 7.567 51 HB3 ALA 45 HB3 ALA 45 -42.511 -18.030 8.126 52 H VAL 46 HN VAL 46 -43.038 -14.444 7.729 53 HA VAL 46 HA VAL 46 -41.327 -13.441 9.834 54 HB VAL 46 HB VAL 46 -39.851 -15.108 8.782 55 HG11 VAL 46 HG11 VAL 46 -39.618 -13.616 6.252 56 HG12 VAL 46 HG12 VAL 46 -41.163 -14.442 6.458 57 HG13 VAL 46 HG13 VAL 46 -39.656 -15.357 6.532 58 HG21 VAL 46 HG21 VAL 46 -37.989 -13.682 8.584 59 HG22 VAL 46 HG22 VAL 46 -39.111 -12.724 9.548 60 HG23 VAL 46 HG23 VAL 46 -38.933 -12.402 7.823 61 H ASN 47 HN ASN 47 -41.089 -11.255 9.679 62 HA ASN 47 HA ASN 47 -42.379 -9.964 7.374 63 HB2 ASN 47 HB2 ASN 47 -43.159 -9.356 9.641 64 HB3 ASN 47 HB1 ASN 47 -41.535 -8.796 10.036 65 HD21 ASN 47 HD21 ASN 47 -41.363 -6.567 9.833 66 HD22 ASN 47 HD22 ASN 47 -42.187 -5.625 8.687 67 H ASP 48 HN ASP 48 -40.991 -9.562 5.757 68 HA ASP 48 HA ASP 48 -38.723 -7.836 6.253 69 HB2 ASP 48 HB2 ASP 48 -37.755 -10.063 6.701 70 HB3 ASP 48 HB1 ASP 48 -38.264 -10.598 5.101 71 H LYS 49 HN LYS 49 -39.472 -6.339 4.819 72 HA LYS 49 HA LYS 49 -40.095 -7.242 2.078 73 HB2 LYS 49 HB2 LYS 49 -40.973 -4.948 3.765 74 HB3 LYS 49 HB1 LYS 49 -40.834 -4.674 2.029 75 HG2 LYS 49 HG2 LYS 49 -42.242 -7.135 3.023 76 HG3 LYS 49 HG1 LYS 49 -43.093 -5.591 3.033 77 HD2 LYS 49 HD2 LYS 49 -41.640 -6.421 0.542 78 HD3 LYS 49 HD1 LYS 49 -43.199 -7.160 0.903 79 HE2 LYS 49 HE2 LYS 49 -44.209 -4.902 1.097 80 HE3 LYS 49 HE1 LYS 49 -42.654 -4.181 0.683 81 HZ1 LYS 49 HZ1 LYS 49 -44.374 -5.896 -1.009 82 HZ2 LYS 49 HZ2 LYS 49 -42.749 -5.573 -1.390 83 HZ3 LYS 49 HZ3 LYS 49 -43.873 -4.302 -1.304 84 H GLY 50 HN GLY 50 -38.329 -4.700 3.842 85 HA2 GLY 50 HA2 GLY 50 -36.164 -3.918 3.371 86 HA3 GLY 50 HA1 GLY 50 -36.209 -4.780 1.836 87 H LYS 51 HN LYS 51 -39.100 -3.251 2.061 88 HA LYS 51 HA LYS 51 -38.565 -1.380 0.018 89 HB2 LYS 51 HB2 LYS 51 -40.817 -2.296 0.477 90 HB3 LYS 51 HB1 LYS 51 -40.859 -1.406 1.998 91 HG2 LYS 51 HG2 LYS 51 -40.660 0.723 0.779 92 HG3 LYS 51 HG1 LYS 51 -40.571 -0.153 -0.751 93 HD2 LYS 51 HD2 LYS 51 -42.819 -1.083 -0.354 94 HD3 LYS 51 HD1 LYS 51 -42.911 -0.211 1.177 95 HE2 LYS 51 HE2 LYS 51 -42.698 1.932 -0.020 96 HE3 LYS 51 HE1 LYS 51 -42.594 1.068 -1.554 97 HZ1 LYS 51 HZ1 LYS 51 -44.896 1.178 0.310 98 HZ2 LYS 51 HZ2 LYS 51 -44.800 0.075 -0.979 99 HZ3 LYS 51 HZ3 LYS 51 -44.827 1.745 -1.287 100 H ALA 52 HN ALA 52 -38.791 -1.072 3.531 101 HA ALA 52 HA ALA 52 -38.604 1.727 3.717 102 HB1 ALA 52 HB1 ALA 52 -38.024 -0.560 5.555 103 HB2 ALA 52 HB2 ALA 52 -39.185 0.756 5.733 104 HB3 ALA 52 HB3 ALA 52 -37.467 1.052 6.007 105 H ALA 53 HN ALA 53 -36.133 -0.785 3.464 106 HA ALA 53 HA ALA 53 -33.855 0.741 4.010 107 HB1 ALA 53 HB1 ALA 53 -32.997 -1.305 3.678 108 HB2 ALA 53 HB2 ALA 53 -33.150 -1.028 1.942 109 HB3 ALA 53 HB3 ALA 53 -34.450 -1.828 2.827 110 H VAL 54 HN VAL 54 -32.355 1.789 2.623 111 HA VAL 54 HA VAL 54 -33.614 2.935 0.207 112 HB VAL 54 HB VAL 54 -31.981 4.807 0.547 113 HG11 VAL 54 HG11 VAL 54 -34.245 4.058 2.270 114 HG12 VAL 54 HG12 VAL 54 -33.922 5.580 1.436 115 HG13 VAL 54 HG13 VAL 54 -33.167 5.252 2.997 116 HG21 VAL 54 HG21 VAL 54 -30.409 3.339 1.936 117 HG22 VAL 54 HG22 VAL 54 -31.546 3.549 3.266 118 HG23 VAL 54 HG23 VAL 54 -30.725 4.950 2.582 119 H VAL 55 HN VAL 55 -32.223 3.446 -1.588 120 HA VAL 55 HA VAL 55 -30.577 1.253 -2.345 121 HB VAL 55 HB VAL 55 -30.175 2.553 -4.394 122 HG11 VAL 55 HG11 VAL 55 -33.056 2.953 -3.588 123 HG12 VAL 55 HG12 VAL 55 -32.391 1.341 -3.848 124 HG13 VAL 55 HG13 VAL 55 -32.412 2.509 -5.168 125 HG21 VAL 55 HG21 VAL 55 -29.909 4.786 -3.728 126 HG22 VAL 55 HG22 VAL 55 -31.330 4.744 -2.682 127 HG23 VAL 55 HG23 VAL 55 -31.527 4.802 -4.433 128 H LYS 56 HN LYS 56 -29.931 4.004 -0.491 129 HA LYS 56 HA LYS 56 -27.307 4.655 -1.277 130 HB2 LYS 56 HB2 LYS 56 -28.703 4.854 1.396 131 HB3 LYS 56 HB1 LYS 56 -27.087 5.489 1.104 132 HG2 LYS 56 HG2 LYS 56 -29.317 6.251 -0.758 133 HG3 LYS 56 HG1 LYS 56 -29.190 7.054 0.806 134 HD2 LYS 56 HD2 LYS 56 -26.826 7.653 0.271 135 HD3 LYS 56 HD1 LYS 56 -27.030 6.935 -1.325 136 HE2 LYS 56 HE2 LYS 56 -28.770 9.167 -0.248 137 HE3 LYS 56 HE1 LYS 56 -27.369 9.424 -1.289 138 HZ1 LYS 56 HZ1 LYS 56 -29.990 8.656 -2.005 139 HZ2 LYS 56 HZ2 LYS 56 -28.898 7.444 -2.480 140 HZ3 LYS 56 HZ3 LYS 56 -28.681 9.043 -3.013 141 H VAL 57 HN VAL 57 -28.566 2.180 0.896 142 HA VAL 57 HA VAL 57 -26.235 1.338 2.139 143 HB VAL 57 HB VAL 57 -27.330 -0.860 2.353 144 HG11 VAL 57 HG11 VAL 57 -28.633 0.064 3.940 145 HG12 VAL 57 HG12 VAL 57 -29.720 0.730 2.722 146 HG13 VAL 57 HG13 VAL 57 -28.296 1.640 3.223 147 HG21 VAL 57 HG21 VAL 57 -28.785 0.169 0.002 148 HG22 VAL 57 HG22 VAL 57 -29.816 -0.582 1.218 149 HG23 VAL 57 HG23 VAL 57 -28.488 -1.495 0.500 150 H VAL 58 HN VAL 58 -27.097 1.112 -1.187 151 HA VAL 58 HA VAL 58 -25.627 -1.161 -1.972 152 HB VAL 58 HB VAL 58 -26.303 1.380 -3.464 153 HG11 VAL 58 HG11 VAL 58 -24.721 -1.027 -4.233 154 HG12 VAL 58 HG12 VAL 58 -24.571 0.640 -4.786 155 HG13 VAL 58 HG13 VAL 58 -25.856 -0.388 -5.423 156 HG21 VAL 58 HG21 VAL 58 -27.867 -0.784 -2.634 157 HG22 VAL 58 HG22 VAL 58 -27.496 -1.141 -4.322 158 HG23 VAL 58 HG23 VAL 58 -28.285 0.378 -3.893 159 H GLU 59 HN GLU 59 -24.693 2.249 -1.654 160 HA GLU 59 HA GLU 59 -22.085 2.047 -2.661 161 HB2 GLU 59 HB2 GLU 59 -23.301 3.895 -0.601 162 HB3 GLU 59 HB1 GLU 59 -21.660 4.084 -1.221 163 HG2 GLU 59 HG2 GLU 59 -22.481 4.350 -3.484 164 HG3 GLU 59 HG1 GLU 59 -24.126 3.970 -2.976 165 H SER 60 HN SER 60 -23.385 1.420 0.563 166 HA SER 60 HA SER 60 -20.942 1.184 1.948 167 HB2 SER 60 HB2 SER 60 -23.110 1.278 3.101 168 HB3 SER 60 HB1 SER 60 -23.553 -0.282 2.415 169 HG SER 60 HG SER 60 -22.254 -1.257 3.780 170 H GLN 61 HN GLN 61 -22.876 -1.196 0.161 171 HA GLN 61 HA GLN 61 -21.260 -3.450 0.705 172 HB2 GLN 61 HB2 GLN 61 -23.558 -3.567 -0.235 173 HB3 GLN 61 HB1 GLN 61 -22.946 -2.909 -1.753 174 HG2 GLN 61 HG2 GLN 61 -21.440 -4.822 -2.009 175 HG3 GLN 61 HG1 GLN 61 -21.963 -5.467 -0.455 176 HE21 GLN 61 HE21 GLN 61 -22.373 -7.224 -2.458 177 HE22 GLN 61 HE22 GLN 61 -23.995 -7.254 -2.958 178 H ALA 62 HN ALA 62 -21.165 -1.004 -1.852 179 HA ALA 62 HA ALA 62 -19.196 -2.176 -3.475 180 HB1 ALA 62 HB1 ALA 62 -20.578 -0.267 -4.185 181 HB2 ALA 62 HB2 ALA 62 -18.860 0.086 -4.366 182 HB3 ALA 62 HB3 ALA 62 -19.760 0.761 -3.008 183 H GLU 63 HN GLU 63 -18.950 -0.106 -0.622 184 HA GLU 63 HA GLU 63 -16.199 0.448 -0.749 185 HB2 GLU 63 HB2 GLU 63 -18.087 0.203 1.598 186 HB3 GLU 63 HB1 GLU 63 -16.414 0.740 1.756 187 HG2 GLU 63 HG2 GLU 63 -16.813 2.618 0.280 188 HG3 GLU 63 HG1 GLU 63 -18.435 2.035 -0.089 189 H LEU 64 HN LEU 64 -17.972 -2.301 0.599 190 HA LEU 64 HA LEU 64 -15.830 -3.560 1.909 191 HB2 LEU 64 HB2 LEU 64 -18.184 -4.218 2.219 192 HB3 LEU 64 HB1 LEU 64 -18.246 -4.793 0.555 193 HG LEU 64 HG LEU 64 -16.491 -6.462 1.063 194 HD11 LEU 64 HD11 LEU 64 -15.150 -5.686 2.777 195 HD12 LEU 64 HD12 LEU 64 -16.231 -6.719 3.711 196 HD13 LEU 64 HD13 LEU 64 -16.505 -4.977 3.656 197 HD21 LEU 64 HD21 LEU 64 -19.160 -6.373 2.145 198 HD22 LEU 64 HD22 LEU 64 -18.116 -7.292 3.230 199 HD23 LEU 64 HD23 LEU 64 -18.264 -7.765 1.536 200 H TYR 65 HN TYR 65 -17.019 -3.829 -1.429 201 HA TYR 65 HA TYR 65 -15.257 -5.848 -2.288 202 HB2 TYR 65 HB2 TYR 65 -17.183 -5.209 -3.622 203 HB3 TYR 65 HB1 TYR 65 -16.531 -3.586 -3.842 204 HD1 TYR 65 HD1 TYR 65 -15.836 -7.192 -4.511 205 HD2 TYR 65 HD2 TYR 65 -14.982 -3.119 -5.570 206 HE1 TYR 65 HE1 TYR 65 -14.545 -7.974 -6.478 207 HE2 TYR 65 HE2 TYR 65 -13.691 -3.901 -7.537 208 HH TYR 65 HH TYR 65 -13.110 -7.351 -8.100 209 H SER 66 HN SER 66 -14.964 -2.302 -2.462 210 HA SER 66 HA SER 66 -12.431 -2.261 -3.718 211 HB2 SER 66 HB2 SER 66 -12.356 0.084 -3.057 212 HB3 SER 66 HB1 SER 66 -13.966 -0.325 -3.639 213 HG SER 66 HG SER 66 -14.525 -0.657 -1.396 214 H LEU 67 HN LEU 67 -13.370 -2.752 -0.405 215 HA LEU 67 HA LEU 67 -10.982 -1.967 0.866 216 HB2 LEU 67 HB2 LEU 67 -13.066 -2.433 2.098 217 HB3 LEU 67 HB1 LEU 67 -12.933 -4.136 1.679 218 HG LEU 67 HG LEU 67 -10.785 -4.274 2.894 219 HD11 LEU 67 HD11 LEU 67 -11.264 -1.333 3.110 220 HD12 LEU 67 HD12 LEU 67 -9.747 -2.211 2.903 221 HD13 LEU 67 HD13 LEU 67 -10.517 -2.140 4.489 222 HD21 LEU 67 HD21 LEU 67 -13.122 -4.525 3.987 223 HD22 LEU 67 HD22 LEU 67 -12.792 -2.952 4.716 224 HD23 LEU 67 HD23 LEU 67 -11.733 -4.322 5.056 225 H GLU 68 HN GLU 68 -11.987 -5.047 -0.573 226 HA GLU 68 HA GLU 68 -9.760 -6.579 0.223 227 HB2 GLU 68 HB2 GLU 68 -11.607 -6.798 -2.159 228 HB3 GLU 68 HB1 GLU 68 -10.365 -7.995 -1.787 229 HG2 GLU 68 HG2 GLU 68 -11.370 -8.455 0.368 230 HG3 GLU 68 HG1 GLU 68 -12.524 -7.139 0.158 231 H LYS 69 HN LYS 69 -10.316 -4.511 -2.603 232 HA LYS 69 HA LYS 69 -7.845 -5.154 -3.883 233 HB2 LYS 69 HB2 LYS 69 -9.719 -2.799 -4.220 234 HB3 LYS 69 HB1 LYS 69 -8.352 -3.147 -5.277 235 HG2 LYS 69 HG2 LYS 69 -10.413 -5.277 -4.760 236 HG3 LYS 69 HG1 LYS 69 -10.750 -4.007 -5.935 237 HD2 LYS 69 HD2 LYS 69 -8.604 -4.578 -7.097 238 HD3 LYS 69 HD1 LYS 69 -8.395 -5.925 -5.978 239 HE2 LYS 69 HE2 LYS 69 -10.830 -5.564 -7.741 240 HE3 LYS 69 HE1 LYS 69 -9.451 -6.581 -8.160 241 HZ1 LYS 69 HZ1 LYS 69 -11.029 -7.980 -7.145 242 HZ2 LYS 69 HZ2 LYS 69 -11.309 -6.891 -5.872 243 HZ3 LYS 69 HZ3 LYS 69 -9.831 -7.721 -5.973 244 H ASN 70 HN ASN 70 -8.636 -3.285 -1.182 245 HA ASN 70 HA ASN 70 -7.485 -1.731 0.073 246 HB2 ASN 70 HB2 ASN 70 -5.131 -3.170 -1.174 247 HB3 ASN 70 HB1 ASN 70 -5.084 -2.178 0.284 248 HD21 ASN 70 HD21 ASN 70 -7.051 -2.954 1.889 249 HD22 ASN 70 HD22 ASN 70 -7.074 -4.631 2.153 250 H GLU 71 HN GLU 71 -8.389 -0.584 -2.265 251 HA GLU 71 HA GLU 71 -6.426 0.615 -3.886 252 HB2 GLU 71 HB2 GLU 71 -9.212 1.508 -3.121 253 HB3 GLU 71 HB1 GLU 71 -8.221 2.350 -4.311 254 HG2 GLU 71 HG2 GLU 71 -8.102 0.372 -5.702 255 HG3 GLU 71 HG1 GLU 71 -8.907 -0.596 -4.468 256 H ASP 72 HN ASP 72 -7.937 1.686 -0.860 257 HA ASP 72 HA ASP 72 -5.926 3.850 -0.685 258 HB2 ASP 72 HB2 ASP 72 -8.259 4.651 -0.748 259 HB3 ASP 72 HB1 ASP 72 -8.632 3.653 0.656 260 H ALA 73 HN ALA 73 -4.262 2.963 0.440 261 HA ALA 73 HA ALA 73 -4.815 2.158 3.195 262 HB1 ALA 73 HB1 ALA 73 -4.844 -0.010 2.357 263 HB2 ALA 73 HB2 ALA 73 -3.142 0.193 2.766 264 HB3 ALA 73 HB3 ALA 73 -3.672 0.353 1.092 265 H SER 74 HN SER 74 -3.034 2.369 4.579 266 HA SER 74 HA SER 74 -1.060 4.287 3.686 267 HB2 SER 74 HB2 SER 74 -0.412 4.409 6.007 268 HB3 SER 74 HB1 SER 74 -2.171 4.394 5.925 269 HG SER 74 HG SER 74 -0.462 2.180 6.433 270 H LEU 75 HN LEU 75 1.239 3.992 4.327 271 HA LEU 75 HA LEU 75 2.280 1.560 3.177 272 HB2 LEU 75 HB2 LEU 75 3.509 4.062 4.286 273 HB3 LEU 75 HB1 LEU 75 4.516 2.650 3.972 274 HG LEU 75 HG LEU 75 2.605 3.662 1.879 275 HD11 LEU 75 HD11 LEU 75 5.228 4.818 2.741 276 HD12 LEU 75 HD12 LEU 75 3.811 5.635 2.080 277 HD13 LEU 75 HD13 LEU 75 4.891 4.739 1.012 278 HD21 LEU 75 HD21 LEU 75 3.651 2.167 0.528 279 HD22 LEU 75 HD22 LEU 75 4.276 1.455 2.014 280 HD23 LEU 75 HD23 LEU 75 5.246 2.624 1.122 281 H ARG 76 HN ARG 76 1.825 2.900 6.358 282 HA ARG 76 HA ARG 76 3.495 1.199 7.837 283 HB2 ARG 76 HB2 ARG 76 0.892 2.555 8.567 284 HB3 ARG 76 HB1 ARG 76 1.894 1.685 9.730 285 HG2 ARG 76 HG2 ARG 76 3.773 3.168 9.292 286 HG3 ARG 76 HG1 ARG 76 2.876 3.983 8.011 287 HD2 ARG 76 HD2 ARG 76 2.781 5.319 10.054 288 HD3 ARG 76 HD1 ARG 76 1.179 4.691 9.679 289 HE ARG 76 HE ARG 76 2.566 2.918 11.429 290 HH11 ARG 76 HH11 ARG 76 1.915 2.879 13.604 291 HH12 ARG 76 HH12 ARG 76 0.992 4.195 14.249 292 HH21 ARG 76 HH21 ARG 76 0.939 5.969 11.270 293 HH22 ARG 76 HH22 ARG 76 0.439 5.943 12.929 294 H LYS 77 HN LYS 77 0.153 0.784 6.707 295 HA LYS 77 HA LYS 77 -0.165 -1.778 8.002 296 HB2 LYS 77 HB2 LYS 77 -1.749 -0.424 5.801 297 HB3 LYS 77 HB1 LYS 77 -2.231 -1.910 6.620 298 HG2 LYS 77 HG2 LYS 77 -2.257 -0.718 8.780 299 HG3 LYS 77 HG1 LYS 77 -1.772 0.769 7.968 300 HD2 LYS 77 HD2 LYS 77 -3.826 0.694 6.599 301 HD3 LYS 77 HD1 LYS 77 -4.318 -0.787 7.423 302 HE2 LYS 77 HE2 LYS 77 -4.349 0.414 9.575 303 HE3 LYS 77 HE1 LYS 77 -3.851 1.895 8.761 304 HZ1 LYS 77 HZ1 LYS 77 -5.863 2.081 7.678 305 HZ2 LYS 77 HZ2 LYS 77 -6.338 1.487 9.197 306 HZ3 LYS 77 HZ3 LYS 77 -6.248 0.441 7.861 307 H LEU 78 HN LEU 78 -0.034 -0.760 4.625 308 HA LEU 78 HA LEU 78 0.123 -3.074 3.249 309 HB2 LEU 78 HB2 LEU 78 1.077 -0.403 2.799 310 HB3 LEU 78 HB1 LEU 78 2.246 -1.553 2.158 311 HG LEU 78 HG LEU 78 0.460 -2.676 0.888 312 HD11 LEU 78 HD11 LEU 78 -1.645 -0.818 0.983 313 HD12 LEU 78 HD12 LEU 78 -1.204 -1.107 2.666 314 HD13 LEU 78 HD13 LEU 78 -1.653 -2.460 1.627 315 HD21 LEU 78 HD21 LEU 78 0.786 -1.205 -0.789 316 HD22 LEU 78 HD22 LEU 78 1.542 -0.139 0.395 317 HD23 LEU 78 HD23 LEU 78 -0.176 0.027 0.030 318 H GLN 79 HN GLN 79 3.232 -1.517 4.161 319 HA GLN 79 HA GLN 79 4.781 -3.799 3.754 320 HB2 GLN 79 HB2 GLN 79 5.677 -1.502 4.035 321 HB3 GLN 79 HB1 GLN 79 5.303 -1.591 5.757 322 HG2 GLN 79 HG2 GLN 79 6.808 -3.505 6.016 323 HG3 GLN 79 HG1 GLN 79 7.137 -3.504 4.283 324 HE21 GLN 79 HE21 GLN 79 9.379 -3.235 5.790 325 HE22 GLN 79 HE22 GLN 79 9.926 -1.628 5.816 326 H ALA 80 HN ALA 80 3.174 -2.706 6.725 327 HA ALA 80 HA ALA 80 4.262 -4.630 8.471 328 HB1 ALA 80 HB1 ALA 80 1.612 -3.187 8.527 329 HB2 ALA 80 HB2 ALA 80 3.080 -2.779 9.416 330 HB3 ALA 80 HB3 ALA 80 2.172 -4.233 9.829 331 H ASP 81 HN ASP 81 1.551 -4.781 6.238 332 HA ASP 81 HA ASP 81 0.743 -7.414 7.172 333 HB2 ASP 81 HB2 ASP 81 -0.228 -5.723 4.861 334 HB3 ASP 81 HB1 ASP 81 -0.930 -7.268 5.341 335 H GLY 82 HN GLY 82 3.158 -6.243 5.223 336 HA2 GLY 82 HA2 GLY 82 4.708 -7.371 3.924 337 HA3 GLY 82 HA1 GLY 82 3.805 -8.854 4.215 338 H ARG 83 HN ARG 83 1.929 -6.257 3.032 339 HA ARG 83 HA ARG 83 1.269 -7.654 0.639 340 HB2 ARG 83 HB2 ARG 83 0.633 -4.872 1.620 341 HB3 ARG 83 HB1 ARG 83 0.026 -5.513 0.092 342 HG2 ARG 83 HG2 ARG 83 -1.046 -7.374 1.270 343 HG3 ARG 83 HG1 ARG 83 -0.386 -6.809 2.803 344 HD2 ARG 83 HD2 ARG 83 -2.711 -6.075 2.572 345 HD3 ARG 83 HD1 ARG 83 -1.632 -4.684 2.541 346 HE ARG 83 HE ARG 83 -2.224 -4.327 0.312 347 HH11 ARG 83 HH11 ARG 83 -3.504 -4.746 -1.518 348 HH12 ARG 83 HH12 ARG 83 -4.392 -6.228 -1.624 349 HH21 ARG 83 HH21 ARG 83 -3.298 -7.416 1.443 350 HH22 ARG 83 HH22 ARG 83 -4.275 -7.740 0.050 351 H ILE 84 HN ILE 84 3.720 -5.363 1.441 352 HA ILE 84 HA ILE 84 4.451 -5.181 -1.420 353 HB ILE 84 HB ILE 84 5.369 -2.932 -0.965 354 HG12 ILE 84 HG12 ILE 84 3.917 -3.130 1.690 355 HG13 ILE 84 HG11 ILE 84 5.659 -3.345 1.534 356 HG21 ILE 84 HG21 ILE 84 3.067 -3.266 -1.842 357 HG22 ILE 84 HG22 ILE 84 3.205 -1.800 -0.871 358 HG23 ILE 84 HG23 ILE 84 2.458 -3.242 -0.188 359 HD11 ILE 84 HD11 ILE 84 4.505 -0.941 2.008 360 HD12 ILE 84 HD12 ILE 84 4.540 -0.917 0.245 361 HD13 ILE 84 HD13 ILE 84 6.036 -1.124 1.155 362 H THR 85 HN THR 85 6.733 -4.912 -1.837 363 HA THR 85 HA THR 85 8.310 -6.667 -0.216 364 HB THR 85 HB THR 85 8.552 -6.534 -2.679 365 HG1 THR 85 HG1 THR 85 10.471 -6.527 -0.840 366 HG21 THR 85 HG21 THR 85 10.014 -3.935 -2.273 367 HG22 THR 85 HG22 THR 85 8.277 -3.947 -2.581 368 HG23 THR 85 HG23 THR 85 9.387 -4.629 -3.770 369 H GLU 86 HN GLU 86 10.109 -6.194 1.041 370 HA GLU 86 HA GLU 86 10.120 -3.522 2.207 371 HB2 GLU 86 HB2 GLU 86 11.598 -4.474 3.888 372 HB3 GLU 86 HB1 GLU 86 10.215 -5.543 3.654 373 HG2 GLU 86 HG2 GLU 86 11.599 -6.918 2.089 374 HG3 GLU 86 HG1 GLU 86 12.986 -5.896 2.469 375 H GLU 87 HN GLU 87 11.874 -5.362 -0.097 376 HA GLU 87 HA GLU 87 14.428 -4.205 0.101 377 HB2 GLU 87 HB2 GLU 87 12.937 -5.391 -2.243 378 HB3 GLU 87 HB1 GLU 87 14.621 -4.869 -2.333 379 HG2 GLU 87 HG2 GLU 87 15.257 -6.423 -0.584 380 HG3 GLU 87 HG1 GLU 87 13.571 -6.856 -0.300 381 H GLN 88 HN GLN 88 11.540 -3.157 -1.680 382 HA GLN 88 HA GLN 88 12.761 -1.064 -3.125 383 HB2 GLN 88 HB2 GLN 88 10.500 -1.945 -3.616 384 HB3 GLN 88 HB1 GLN 88 9.910 -1.228 -2.117 385 HG2 GLN 88 HG2 GLN 88 10.497 1.006 -2.910 386 HG3 GLN 88 HG1 GLN 88 11.204 0.328 -4.375 387 HE21 GLN 88 HE21 GLN 88 9.652 1.435 -5.769 388 HE22 GLN 88 HE22 GLN 88 8.026 0.957 -5.829 389 H ALA 89 HN ALA 89 11.241 -1.154 0.068 390 HA ALA 89 HA ALA 89 11.368 1.602 0.638 391 HB1 ALA 89 HB1 ALA 89 11.512 -0.707 2.588 392 HB2 ALA 89 HB2 ALA 89 10.022 -0.039 1.922 393 HB3 ALA 89 HB3 ALA 89 11.047 0.953 2.959 394 H LYS 90 HN LYS 90 13.709 -1.005 1.129 395 HA LYS 90 HA LYS 90 15.576 0.677 2.555 396 HB2 LYS 90 HB2 LYS 90 15.469 -2.145 1.642 397 HB3 LYS 90 HB1 LYS 90 17.073 -1.436 1.831 398 HG2 LYS 90 HG2 LYS 90 16.280 -2.513 3.925 399 HG3 LYS 90 HG1 LYS 90 16.543 -0.781 4.130 400 HD2 LYS 90 HD2 LYS 90 14.263 -0.306 4.218 401 HD3 LYS 90 HD1 LYS 90 13.823 -1.765 3.329 402 HE2 LYS 90 HE2 LYS 90 14.935 -1.718 6.150 403 HE3 LYS 90 HE1 LYS 90 13.234 -1.939 5.734 404 HZ1 LYS 90 HZ1 LYS 90 14.518 -3.764 4.187 405 HZ2 LYS 90 HZ2 LYS 90 13.718 -4.093 5.649 406 HZ3 LYS 90 HZ3 LYS 90 15.395 -3.819 5.638 407 H ALA 91 HN ALA 91 15.078 -0.362 -0.748 408 HA ALA 91 HA ALA 91 17.543 0.162 -1.866 409 HB1 ALA 91 HB1 ALA 91 14.750 0.211 -2.900 410 HB2 ALA 91 HB2 ALA 91 16.115 -0.794 -3.388 411 HB3 ALA 91 HB3 ALA 91 16.020 0.886 -3.918 412 H TYR 92 HN TYR 92 14.913 2.540 -1.225 413 HA TYR 92 HA TYR 92 16.104 4.702 -2.530 414 HB2 TYR 92 HB2 TYR 92 13.812 4.804 -1.742 415 HB3 TYR 92 HB1 TYR 92 14.344 4.628 -0.069 416 HD1 TYR 92 HD1 TYR 92 14.609 6.845 -3.062 417 HD2 TYR 92 HD2 TYR 92 15.017 6.507 1.201 418 HE1 TYR 92 HE1 TYR 92 14.917 9.301 -2.896 419 HE2 TYR 92 HE2 TYR 92 15.325 8.961 1.366 420 HH TYR 92 HH TYR 92 15.104 11.039 -1.517 421 H LYS 93 HN LYS 93 16.411 3.632 0.868 422 HA LYS 93 HA LYS 93 18.096 5.697 1.739 423 HB2 LYS 93 HB2 LYS 93 17.515 2.909 2.624 424 HB3 LYS 93 HB1 LYS 93 18.946 3.698 3.286 425 HG2 LYS 93 HG2 LYS 93 16.395 5.254 3.223 426 HG3 LYS 93 HG1 LYS 93 16.556 3.983 4.433 427 HD2 LYS 93 HD2 LYS 93 18.809 5.928 4.071 428 HD3 LYS 93 HD1 LYS 93 17.382 6.438 4.970 429 HE2 LYS 93 HE2 LYS 93 17.624 4.476 6.460 430 HE3 LYS 93 HE1 LYS 93 19.068 3.987 5.577 431 HZ1 LYS 93 HZ1 LYS 93 18.876 5.807 7.678 432 HZ2 LYS 93 HZ2 LYS 93 19.319 6.684 6.291 433 HZ3 LYS 93 HZ3 LYS 93 20.259 5.365 6.802 434 H GLU 94 HN GLU 94 19.041 2.407 0.599 435 HA GLU 94 HA GLU 94 21.773 2.815 0.689 436 HB2 GLU 94 HB2 GLU 94 20.685 0.621 0.337 437 HB3 GLU 94 HB1 GLU 94 20.210 1.127 -1.282 438 HG2 GLU 94 HG2 GLU 94 22.243 -0.227 -1.404 439 HG3 GLU 94 HG1 GLU 94 22.612 1.430 -1.867 440 H TYR 95 HN TYR 95 19.442 3.660 -1.849 441 HA TYR 95 HA TYR 95 21.292 4.309 -3.861 442 HB2 TYR 95 HB2 TYR 95 18.882 4.188 -4.297 443 HB3 TYR 95 HB1 TYR 95 18.609 5.581 -3.252 444 HD1 TYR 95 HD1 TYR 95 20.387 4.484 -6.340 445 HD2 TYR 95 HD2 TYR 95 18.831 7.785 -4.077 446 HE1 TYR 95 HE1 TYR 95 20.839 6.002 -8.248 447 HE2 TYR 95 HE2 TYR 95 19.283 9.306 -5.985 448 HH TYR 95 HH TYR 95 19.949 8.210 -9.087 449 H ASN 96 HN ASN 96 19.817 6.367 -1.312 450 HA ASN 96 HA ASN 96 21.245 8.713 -1.942 451 HB2 ASN 96 HB2 ASN 96 19.236 8.505 -0.419 452 HB3 ASN 96 HB1 ASN 96 20.328 7.874 0.812 453 HD21 ASN 96 HD21 ASN 96 20.174 9.710 2.236 454 HD22 ASN 96 HD22 ASN 96 20.774 11.239 1.810 455 H ASP 97 HN ASP 97 22.002 5.964 0.110 456 HA ASP 97 HA ASP 97 24.261 6.960 1.435 457 HB2 ASP 97 HB2 ASP 97 23.167 4.799 1.980 458 HB3 ASP 97 HB1 ASP 97 23.822 4.115 0.493 459 H LYS 98 HN LYS 98 23.957 5.460 -1.761 460 HA LYS 98 HA LYS 98 26.710 5.294 -2.368 461 HB2 LYS 98 HB2 LYS 98 24.279 5.597 -4.140 462 HB3 LYS 98 HB1 LYS 98 25.908 5.354 -4.768 463 HG2 LYS 98 HG2 LYS 98 26.090 3.252 -3.486 464 HG3 LYS 98 HG1 LYS 98 24.456 3.491 -2.865 465 HD2 LYS 98 HD2 LYS 98 23.562 3.426 -5.157 466 HD3 LYS 98 HD1 LYS 98 25.192 3.203 -5.794 467 HE2 LYS 98 HE2 LYS 98 25.400 1.094 -4.534 468 HE3 LYS 98 HE1 LYS 98 23.772 1.313 -3.894 469 HZ1 LYS 98 HZ1 LYS 98 24.563 0.236 -6.379 470 HZ2 LYS 98 HZ2 LYS 98 23.593 1.605 -6.641 471 HZ3 LYS 98 HZ3 LYS 98 23.012 0.317 -5.700 472 H ASN 99 HN ASN 99 24.347 7.883 -2.676 473 HA ASN 99 HA ASN 99 26.346 9.689 -3.834 474 HB2 ASN 99 HB2 ASN 99 23.365 9.921 -3.384 475 HB3 ASN 99 HB1 ASN 99 24.361 11.254 -3.964 476 HD21 ASN 99 HD21 ASN 99 22.249 10.048 -5.547 477 HD22 ASN 99 HD22 ASN 99 22.977 9.315 -6.893 478 H GLY 100 HN GLY 100 26.252 8.645 -0.999 479 HA2 GLY 100 HA2 GLY 100 25.806 11.118 0.531 480 HA3 GLY 100 HA1 GLY 100 26.102 9.521 1.213 481 H GLY 101 HN GLY 101 27.438 12.452 0.979 482 HA2 GLY 101 HA2 GLY 101 30.130 11.862 0.195 483 HA3 GLY 101 HA1 GLY 101 29.578 13.321 1.009 484 H ALA 102 HN ALA 102 28.337 11.274 3.039 485 HA ALA 102 HA ALA 102 30.288 11.587 5.035 486 HB1 ALA 102 HB1 ALA 102 28.928 9.880 6.284 487 HB2 ALA 102 HB2 ALA 102 27.952 9.680 4.829 488 HB3 ALA 102 HB3 ALA 102 27.993 11.237 5.657 489 H ASN 103 HN ASN 103 29.578 8.848 2.894 490 HA ASN 103 HA ASN 103 31.786 7.327 4.083 491 HB2 ASN 103 HB2 ASN 103 29.647 6.171 3.651 492 HB3 ASN 103 HB1 ASN 103 29.807 6.537 1.933 493 HD21 ASN 103 HD21 ASN 103 29.672 3.858 2.550 494 HD22 ASN 103 HD22 ASN 103 31.201 3.132 2.408 495 H ARG 104 HN ARG 104 33.709 8.085 3.337 496 HA ARG 104 HA ARG 104 34.241 9.280 0.915 497 HB2 ARG 104 HB2 ARG 104 35.963 7.642 2.763 498 HB3 ARG 104 HB1 ARG 104 36.624 8.357 1.293 499 HG2 ARG 104 HG2 ARG 104 35.044 10.090 3.165 500 HG3 ARG 104 HG1 ARG 104 36.709 9.685 3.577 501 HD2 ARG 104 HD2 ARG 104 35.804 10.965 0.977 502 HD3 ARG 104 HD1 ARG 104 36.603 11.795 2.306 503 HE ARG 104 HE ARG 104 37.850 10.026 0.373 504 HH11 ARG 104 HH11 ARG 104 40.110 9.861 0.539 505 HH12 ARG 104 HH12 ARG 104 40.916 10.471 1.945 506 HH21 ARG 104 HH21 ARG 104 37.997 11.546 3.478 507 HH22 ARG 104 HH22 ARG 104 39.721 11.426 3.608 508 H LYS 105 HN LYS 105 34.403 5.792 1.678 509 HA LYS 105 HA LYS 105 35.348 5.031 -0.889 510 HB2 LYS 105 HB2 LYS 105 33.816 3.486 1.217 511 HB3 LYS 105 HB1 LYS 105 34.587 2.765 -0.198 512 HG2 LYS 105 HG2 LYS 105 36.769 3.622 0.528 513 HG3 LYS 105 HG1 LYS 105 36.016 4.390 1.925 514 HD2 LYS 105 HD2 LYS 105 35.251 2.159 2.709 515 HD3 LYS 105 HD1 LYS 105 36.091 1.416 1.347 516 HE2 LYS 105 HE2 LYS 105 37.421 3.143 3.453 517 HE3 LYS 105 HE1 LYS 105 37.443 1.382 3.439 518 HZ1 LYS 105 HZ1 LYS 105 38.722 3.263 1.573 519 HZ2 LYS 105 HZ2 LYS 105 38.334 1.691 1.058 520 HZ3 LYS 105 HZ3 LYS 105 39.393 1.923 2.367 521 H VAL 106 HN VAL 106 34.243 4.304 -2.689 522 HA VAL 106 HA VAL 106 31.309 4.702 -2.695 523 HB VAL 106 HB VAL 106 31.518 5.575 -4.991 524 HG11 VAL 106 HG11 VAL 106 31.464 7.179 -3.158 525 HG12 VAL 106 HG12 VAL 106 32.611 7.741 -4.374 526 HG13 VAL 106 HG13 VAL 106 33.196 6.984 -2.893 527 HG21 VAL 106 HG21 VAL 106 34.180 6.324 -5.209 528 HG22 VAL 106 HG22 VAL 106 33.421 4.992 -6.079 529 HG23 VAL 106 HG23 VAL 106 34.281 4.681 -4.573 530 H ASN 107 HN ASN 107 30.187 3.531 -4.411 531 HA ASN 107 HA ASN 107 29.608 1.468 -5.269 532 HB2 ASN 107 HB2 ASN 107 31.188 2.606 -6.983 533 HB3 ASN 107 HB1 ASN 107 32.374 1.416 -6.448 534 HD21 ASN 107 HD21 ASN 107 32.352 0.131 -8.387 535 HD22 ASN 107 HD22 ASN 107 30.984 -0.741 -8.885 536 H ASP 108 HN ASP 108 32.019 -0.372 -5.990 537 HA ASP 108 HA ASP 108 32.022 -1.755 -3.391 538 HB2 ASP 108 HB2 ASP 108 31.243 -3.171 -5.138 539 HB3 ASP 108 HB1 ASP 108 32.551 -2.684 -6.212 Start of MODEL 8 1 HA THR 40 HA THR 40 -53.451 -2.714 18.231 2 HB THR 40 HB THR 40 -52.701 -2.518 20.495 3 HG1 THR 40 HG1 THR 40 -53.363 -5.261 20.771 4 HG21 THR 40 HG21 THR 40 -55.231 -4.076 20.907 5 HG22 THR 40 HG22 THR 40 -55.274 -2.601 19.940 6 HG23 THR 40 HG23 THR 40 -54.739 -2.539 21.620 7 H LYS 41 HN LYS 41 -51.787 -2.889 16.848 8 HA LYS 41 HA LYS 41 -49.507 -4.559 17.630 9 HB2 LYS 41 HB2 LYS 41 -51.009 -5.791 15.954 10 HB3 LYS 41 HB1 LYS 41 -50.503 -4.574 14.783 11 HG2 LYS 41 HG2 LYS 41 -48.867 -6.168 14.414 12 HG3 LYS 41 HG1 LYS 41 -48.083 -5.221 15.677 13 HD2 LYS 41 HD2 LYS 41 -48.914 -6.791 17.387 14 HD3 LYS 41 HD1 LYS 41 -49.713 -7.738 16.131 15 HE2 LYS 41 HE2 LYS 41 -47.610 -8.815 16.607 16 HE3 LYS 41 HE1 LYS 41 -47.450 -8.024 15.039 17 HZ1 LYS 41 HZ1 LYS 41 -46.566 -6.064 16.399 18 HZ2 LYS 41 HZ2 LYS 41 -45.543 -7.400 16.165 19 HZ3 LYS 41 HZ3 LYS 41 -46.348 -7.193 17.646 20 H GLN 42 HN GLN 42 -47.556 -3.649 17.154 21 HA GLN 42 HA GLN 42 -47.605 -0.905 16.168 22 HB2 GLN 42 HB2 GLN 42 -45.334 -2.572 17.284 23 HB3 GLN 42 HB1 GLN 42 -45.254 -0.851 16.911 24 HG2 GLN 42 HG2 GLN 42 -47.133 -2.127 18.923 25 HG3 GLN 42 HG1 GLN 42 -45.667 -1.235 19.321 26 HE21 GLN 42 HE21 GLN 42 -48.951 -0.840 19.206 27 HE22 GLN 42 HE22 GLN 42 -49.026 0.826 18.891 28 H LYS 43 HN LYS 43 -47.409 -3.857 14.748 29 HA LYS 43 HA LYS 43 -46.752 -4.580 12.675 30 HB2 LYS 43 HB2 LYS 43 -47.647 -2.123 12.222 31 HB3 LYS 43 HB1 LYS 43 -45.948 -1.820 11.861 32 HG2 LYS 43 HG2 LYS 43 -46.679 -2.509 9.774 33 HG3 LYS 43 HG1 LYS 43 -46.205 -4.065 10.457 34 HD2 LYS 43 HD2 LYS 43 -48.555 -4.420 11.201 35 HD3 LYS 43 HD1 LYS 43 -49.006 -2.902 10.427 36 HE2 LYS 43 HE2 LYS 43 -47.763 -5.276 9.006 37 HE3 LYS 43 HE1 LYS 43 -49.475 -4.854 8.966 38 HZ1 LYS 43 HZ1 LYS 43 -47.187 -3.338 7.866 39 HZ2 LYS 43 HZ2 LYS 43 -48.697 -2.607 8.138 40 HZ3 LYS 43 HZ3 LYS 43 -48.561 -3.907 7.051 41 H GLU 44 HN GLU 44 -44.547 -1.817 13.195 42 HA GLU 44 HA GLU 44 -42.287 -3.533 12.514 43 HB2 GLU 44 HB2 GLU 44 -42.763 -0.600 12.730 44 HB3 GLU 44 HB1 GLU 44 -41.120 -1.175 13.010 45 HG2 GLU 44 HG2 GLU 44 -41.412 -0.643 10.643 46 HG3 GLU 44 HG1 GLU 44 -41.195 -2.380 10.832 47 H ALA 45 HN ALA 45 -42.152 -4.884 14.328 48 HA ALA 45 HA ALA 45 -42.115 -4.042 17.008 49 HB1 ALA 45 HB1 ALA 45 -42.368 -6.394 16.363 50 HB2 ALA 45 HB2 ALA 45 -41.002 -6.199 17.462 51 HB3 ALA 45 HB3 ALA 45 -40.721 -6.410 15.734 52 H VAL 46 HN VAL 46 -39.523 -4.343 14.618 53 HA VAL 46 HA VAL 46 -37.747 -2.849 16.449 54 HB VAL 46 HB VAL 46 -35.855 -4.134 15.519 55 HG11 VAL 46 HG11 VAL 46 -36.725 -4.957 17.589 56 HG12 VAL 46 HG12 VAL 46 -36.525 -6.372 16.554 57 HG13 VAL 46 HG13 VAL 46 -38.126 -5.674 16.794 58 HG21 VAL 46 HG21 VAL 46 -36.788 -4.726 13.350 59 HG22 VAL 46 HG22 VAL 46 -38.072 -5.660 14.120 60 HG23 VAL 46 HG23 VAL 46 -36.400 -6.210 14.220 61 H ASN 47 HN ASN 47 -36.061 -1.614 15.313 62 HA ASN 47 HA ASN 47 -37.129 -0.021 13.255 63 HB2 ASN 47 HB2 ASN 47 -34.297 -0.393 14.238 64 HB3 ASN 47 HB1 ASN 47 -34.746 0.804 13.024 65 HD21 ASN 47 HD21 ASN 47 -33.700 1.518 15.634 66 HD22 ASN 47 HD22 ASN 47 -34.930 2.338 16.469 67 H ASP 48 HN ASP 48 -37.043 -0.118 11.089 68 HA ASP 48 HA ASP 48 -36.177 -2.584 9.853 69 HB2 ASP 48 HB2 ASP 48 -37.481 -0.079 8.789 70 HB3 ASP 48 HB1 ASP 48 -37.019 -1.431 7.757 71 H LYS 49 HN LYS 49 -34.645 -2.779 8.186 72 HA LYS 49 HA LYS 49 -32.242 -1.373 8.557 73 HB2 LYS 49 HB2 LYS 49 -32.312 -3.630 7.600 74 HB3 LYS 49 HB1 LYS 49 -33.180 -3.026 6.195 75 HG2 LYS 49 HG2 LYS 49 -30.841 -3.301 5.606 76 HG3 LYS 49 HG1 LYS 49 -31.199 -1.581 5.652 77 HD2 LYS 49 HD2 LYS 49 -30.130 -1.341 7.803 78 HD3 LYS 49 HD1 LYS 49 -29.986 -3.090 7.985 79 HE2 LYS 49 HE2 LYS 49 -28.474 -3.161 6.039 80 HE3 LYS 49 HE1 LYS 49 -28.631 -1.413 5.852 81 HZ1 LYS 49 HZ1 LYS 49 -26.730 -1.575 7.095 82 HZ2 LYS 49 HZ2 LYS 49 -27.258 -2.945 7.949 83 HZ3 LYS 49 HZ3 LYS 49 -27.888 -1.413 8.325 84 H GLY 50 HN GLY 50 -34.830 -1.042 6.182 85 HA2 GLY 50 HA2 GLY 50 -35.489 1.086 5.299 86 HA3 GLY 50 HA1 GLY 50 -33.847 1.664 5.554 87 H LYS 51 HN LYS 51 -35.426 -1.018 3.805 88 HA LYS 51 HA LYS 51 -33.466 -1.156 1.758 89 HB2 LYS 51 HB2 LYS 51 -36.328 -2.133 1.881 90 HB3 LYS 51 HB1 LYS 51 -35.230 -2.489 0.547 91 HG2 LYS 51 HG2 LYS 51 -33.647 -3.535 2.124 92 HG3 LYS 51 HG1 LYS 51 -34.744 -3.184 3.460 93 HD2 LYS 51 HD2 LYS 51 -36.485 -4.576 2.403 94 HD3 LYS 51 HD1 LYS 51 -35.391 -4.929 1.064 95 HE2 LYS 51 HE2 LYS 51 -33.803 -5.979 2.629 96 HE3 LYS 51 HE1 LYS 51 -34.887 -5.621 3.973 97 HZ1 LYS 51 HZ1 LYS 51 -36.435 -6.888 2.083 98 HZ2 LYS 51 HZ2 LYS 51 -35.869 -7.545 3.545 99 HZ3 LYS 51 HZ3 LYS 51 -34.983 -7.765 2.113 100 H ALA 52 HN ALA 52 -36.186 0.890 2.297 101 HA ALA 52 HA ALA 52 -36.822 1.662 -0.331 102 HB1 ALA 52 HB1 ALA 52 -38.382 2.540 1.079 103 HB2 ALA 52 HB2 ALA 52 -37.301 3.933 1.061 104 HB3 ALA 52 HB3 ALA 52 -37.222 2.772 2.386 105 H ALA 53 HN ALA 53 -34.344 2.805 1.919 106 HA ALA 53 HA ALA 53 -33.476 5.067 0.513 107 HB1 ALA 53 HB1 ALA 53 -32.741 3.912 2.839 108 HB2 ALA 53 HB2 ALA 53 -31.757 5.120 2.014 109 HB3 ALA 53 HB3 ALA 53 -31.395 3.404 1.819 110 H VAL 54 HN VAL 54 -31.943 5.393 -1.084 111 HA VAL 54 HA VAL 54 -31.775 3.545 -3.161 112 HB VAL 54 HB VAL 54 -30.023 4.988 -4.085 113 HG11 VAL 54 HG11 VAL 54 -32.605 5.691 -3.587 114 HG12 VAL 54 HG12 VAL 54 -31.478 6.701 -4.493 115 HG13 VAL 54 HG13 VAL 54 -31.753 7.005 -2.777 116 HG21 VAL 54 HG21 VAL 54 -28.631 5.434 -2.201 117 HG22 VAL 54 HG22 VAL 54 -29.982 6.061 -1.257 118 HG23 VAL 54 HG23 VAL 54 -29.352 6.987 -2.618 119 H VAL 55 HN VAL 55 -30.400 1.958 -3.719 120 HA VAL 55 HA VAL 55 -28.785 0.732 -1.719 121 HB VAL 55 HB VAL 55 -29.979 -0.461 -3.592 122 HG11 VAL 55 HG11 VAL 55 -27.609 0.176 -5.313 123 HG12 VAL 55 HG12 VAL 55 -28.948 1.321 -5.258 124 HG13 VAL 55 HG13 VAL 55 -29.228 -0.337 -5.788 125 HG21 VAL 55 HG21 VAL 55 -28.236 -2.139 -3.840 126 HG22 VAL 55 HG22 VAL 55 -28.138 -1.471 -2.212 127 HG23 VAL 55 HG23 VAL 55 -26.990 -0.956 -3.447 128 H LYS 56 HN LYS 56 -28.193 3.187 -4.037 129 HA LYS 56 HA LYS 56 -25.470 2.792 -4.598 130 HB2 LYS 56 HB2 LYS 56 -27.128 5.312 -4.425 131 HB3 LYS 56 HB1 LYS 56 -25.458 5.286 -4.992 132 HG2 LYS 56 HG2 LYS 56 -26.076 3.671 -6.751 133 HG3 LYS 56 HG1 LYS 56 -27.747 3.695 -6.189 134 HD2 LYS 56 HD2 LYS 56 -27.862 6.123 -6.662 135 HD3 LYS 56 HD1 LYS 56 -26.202 6.077 -7.257 136 HE2 LYS 56 HE2 LYS 56 -28.502 4.467 -8.404 137 HE3 LYS 56 HE1 LYS 56 -27.853 5.947 -9.110 138 HZ1 LYS 56 HZ1 LYS 56 -26.952 3.845 -10.063 139 HZ2 LYS 56 HZ2 LYS 56 -26.207 3.541 -8.566 140 HZ3 LYS 56 HZ3 LYS 56 -25.772 4.910 -9.472 141 H VAL 57 HN VAL 57 -27.078 4.421 -1.893 142 HA VAL 57 HA VAL 57 -24.779 5.544 -0.709 143 HB VAL 57 HB VAL 57 -27.397 4.618 0.485 144 HG11 VAL 57 HG11 VAL 57 -26.557 6.291 2.337 145 HG12 VAL 57 HG12 VAL 57 -24.960 5.865 1.719 146 HG13 VAL 57 HG13 VAL 57 -26.017 4.611 2.367 147 HG21 VAL 57 HG21 VAL 57 -28.157 6.735 0.057 148 HG22 VAL 57 HG22 VAL 57 -26.906 6.706 -1.187 149 HG23 VAL 57 HG23 VAL 57 -26.583 7.469 0.370 150 H VAL 58 HN VAL 58 -26.371 2.407 -0.250 151 HA VAL 58 HA VAL 58 -24.683 1.436 1.789 152 HB VAL 58 HB VAL 58 -26.325 0.008 -0.309 153 HG11 VAL 58 HG11 VAL 58 -25.999 -1.832 1.630 154 HG12 VAL 58 HG12 VAL 58 -24.450 -1.000 1.776 155 HG13 VAL 58 HG13 VAL 58 -24.920 -1.726 0.240 156 HG21 VAL 58 HG21 VAL 58 -28.038 0.167 1.176 157 HG22 VAL 58 HG22 VAL 58 -27.088 1.462 1.907 158 HG23 VAL 58 HG23 VAL 58 -26.992 -0.178 2.553 159 H GLU 59 HN GLU 59 -24.496 1.185 -1.743 160 HA GLU 59 HA GLU 59 -22.302 -0.558 -1.889 161 HB2 GLU 59 HB2 GLU 59 -23.232 1.613 -3.775 162 HB3 GLU 59 HB1 GLU 59 -21.943 0.473 -4.162 163 HG2 GLU 59 HG2 GLU 59 -24.717 -0.383 -3.303 164 HG3 GLU 59 HG1 GLU 59 -24.237 -0.207 -4.990 165 H SER 60 HN SER 60 -22.401 2.998 -1.625 166 HA SER 60 HA SER 60 -19.615 3.399 -1.951 167 HB2 SER 60 HB2 SER 60 -20.030 5.604 -0.973 168 HB3 SER 60 HB1 SER 60 -21.285 5.211 -2.142 169 HG SER 60 HG SER 60 -22.140 6.023 -0.173 170 H GLN 61 HN GLN 61 -21.652 2.680 0.819 171 HA GLN 61 HA GLN 61 -19.745 3.140 2.854 172 HB2 GLN 61 HB2 GLN 61 -22.186 1.363 2.745 173 HB3 GLN 61 HB1 GLN 61 -21.216 1.586 4.202 174 HG2 GLN 61 HG2 GLN 61 -21.654 3.962 4.212 175 HG3 GLN 61 HG1 GLN 61 -22.444 3.871 2.639 176 HE21 GLN 61 HE21 GLN 61 -23.623 4.768 5.251 177 HE22 GLN 61 HE22 GLN 61 -24.953 3.748 5.517 178 H ALA 62 HN ALA 62 -20.451 0.337 0.840 179 HA ALA 62 HA ALA 62 -18.938 -1.584 2.241 180 HB1 ALA 62 HB1 ALA 62 -18.898 -1.826 -0.687 181 HB2 ALA 62 HB2 ALA 62 -20.508 -1.607 -0.005 182 HB3 ALA 62 HB3 ALA 62 -19.499 -2.951 0.531 183 H GLU 63 HN GLU 63 -18.052 0.770 -0.240 184 HA GLU 63 HA GLU 63 -15.423 -0.122 -0.714 185 HB2 GLU 63 HB2 GLU 63 -16.604 1.512 -2.147 186 HB3 GLU 63 HB1 GLU 63 -16.502 2.705 -0.852 187 HG2 GLU 63 HG2 GLU 63 -14.053 2.619 -0.927 188 HG3 GLU 63 HG1 GLU 63 -14.118 1.365 -2.166 189 H LEU 64 HN LEU 64 -16.756 2.113 1.689 190 HA LEU 64 HA LEU 64 -14.340 3.069 2.739 191 HB2 LEU 64 HB2 LEU 64 -16.531 4.066 3.248 192 HB3 LEU 64 HB1 LEU 64 -16.988 2.617 4.136 193 HG LEU 64 HG LEU 64 -15.133 3.001 5.729 194 HD11 LEU 64 HD11 LEU 64 -13.426 4.147 4.676 195 HD12 LEU 64 HD12 LEU 64 -14.227 5.505 5.468 196 HD13 LEU 64 HD13 LEU 64 -14.535 5.172 3.763 197 HD21 LEU 64 HD21 LEU 64 -16.727 4.130 6.847 198 HD22 LEU 64 HD22 LEU 64 -17.450 4.678 5.335 199 HD23 LEU 64 HD23 LEU 64 -16.154 5.613 6.082 200 H TYR 65 HN TYR 65 -16.293 0.232 3.640 201 HA TYR 65 HA TYR 65 -14.699 -0.563 5.835 202 HB2 TYR 65 HB2 TYR 65 -16.601 -2.063 4.041 203 HB3 TYR 65 HB1 TYR 65 -15.745 -2.852 5.366 204 HD1 TYR 65 HD1 TYR 65 -18.623 -0.953 4.474 205 HD2 TYR 65 HD2 TYR 65 -15.881 -1.673 7.698 206 HE1 TYR 65 HE1 TYR 65 -20.282 -0.059 6.083 207 HE2 TYR 65 HE2 TYR 65 -17.543 -0.781 9.310 208 HH TYR 65 HH TYR 65 -19.796 -0.293 9.543 209 H SER 66 HN SER 66 -14.515 -1.328 2.378 210 HA SER 66 HA SER 66 -12.576 -3.366 2.555 211 HB2 SER 66 HB2 SER 66 -12.144 -2.916 0.190 212 HB3 SER 66 HB1 SER 66 -13.877 -2.895 0.508 213 HG SER 66 HG SER 66 -12.884 -1.093 -0.759 214 H LEU 67 HN LEU 67 -12.301 0.148 2.449 215 HA LEU 67 HA LEU 67 -9.487 0.267 2.092 216 HB2 LEU 67 HB2 LEU 67 -11.645 2.141 2.845 217 HB3 LEU 67 HB1 LEU 67 -10.046 2.558 3.456 218 HG LEU 67 HG LEU 67 -10.575 3.533 1.189 219 HD11 LEU 67 HD11 LEU 67 -8.342 3.561 0.946 220 HD12 LEU 67 HD12 LEU 67 -8.371 1.898 0.359 221 HD13 LEU 67 HD13 LEU 67 -8.206 2.221 2.085 222 HD21 LEU 67 HD21 LEU 67 -10.050 0.904 -0.087 223 HD22 LEU 67 HD22 LEU 67 -11.087 2.226 -0.618 224 HD23 LEU 67 HD23 LEU 67 -11.650 1.110 0.623 225 H GLU 68 HN GLU 68 -11.566 0.046 4.926 226 HA GLU 68 HA GLU 68 -9.612 0.525 6.901 227 HB2 GLU 68 HB2 GLU 68 -12.163 -1.098 6.971 228 HB3 GLU 68 HB1 GLU 68 -11.189 -0.741 8.397 229 HG2 GLU 68 HG2 GLU 68 -12.288 1.390 6.545 230 HG3 GLU 68 HG1 GLU 68 -13.103 0.863 8.017 231 H LYS 69 HN LYS 69 -10.608 -2.421 5.220 232 HA LYS 69 HA LYS 69 -8.734 -4.036 6.769 233 HB2 LYS 69 HB2 LYS 69 -10.596 -4.761 4.496 234 HB3 LYS 69 HB1 LYS 69 -9.617 -5.911 5.405 235 HG2 LYS 69 HG2 LYS 69 -11.489 -4.048 6.849 236 HG3 LYS 69 HG1 LYS 69 -12.113 -5.518 6.105 237 HD2 LYS 69 HD2 LYS 69 -10.407 -6.833 7.392 238 HD3 LYS 69 HD1 LYS 69 -9.942 -5.347 8.219 239 HE2 LYS 69 HE2 LYS 69 -12.755 -6.468 8.200 240 HE3 LYS 69 HE1 LYS 69 -11.596 -6.717 9.506 241 HZ1 LYS 69 HZ1 LYS 69 -12.849 -4.198 8.613 242 HZ2 LYS 69 HZ2 LYS 69 -11.409 -4.191 9.514 243 HZ3 LYS 69 HZ3 LYS 69 -12.820 -4.873 10.168 244 H ASN 70 HN ASN 70 -8.596 -2.043 4.099 245 HA ASN 70 HA ASN 70 -7.068 -1.732 2.412 246 HB2 ASN 70 HB2 ASN 70 -5.393 -3.304 4.374 247 HB3 ASN 70 HB1 ASN 70 -4.742 -2.530 2.930 248 HD21 ASN 70 HD21 ASN 70 -3.998 -1.767 5.640 249 HD22 ASN 70 HD22 ASN 70 -4.528 -0.172 5.878 250 H GLU 71 HN GLU 71 -8.850 -3.747 1.819 251 HA GLU 71 HA GLU 71 -7.711 -6.233 1.127 252 HB2 GLU 71 HB2 GLU 71 -10.049 -4.717 -0.054 253 HB3 GLU 71 HB1 GLU 71 -9.628 -6.371 -0.503 254 HG2 GLU 71 HG2 GLU 71 -10.147 -5.496 2.346 255 HG3 GLU 71 HG1 GLU 71 -11.387 -6.190 1.304 256 H ASP 72 HN ASP 72 -7.938 -3.169 -0.623 257 HA ASP 72 HA ASP 72 -6.577 -4.317 -2.945 258 HB2 ASP 72 HB2 ASP 72 -7.761 -1.595 -2.381 259 HB3 ASP 72 HB1 ASP 72 -6.853 -1.962 -3.846 260 H ALA 73 HN ALA 73 -4.469 -4.009 -3.414 261 HA ALA 73 HA ALA 73 -2.947 -1.919 -2.060 262 HB1 ALA 73 HB1 ALA 73 -2.953 -4.620 -1.127 263 HB2 ALA 73 HB2 ALA 73 -2.008 -3.255 -0.532 264 HB3 ALA 73 HB3 ALA 73 -1.373 -4.272 -1.824 265 H SER 74 HN SER 74 -0.961 -1.446 -3.063 266 HA SER 74 HA SER 74 -0.670 -2.603 -5.769 267 HB2 SER 74 HB2 SER 74 0.332 -0.504 -6.431 268 HB3 SER 74 HB1 SER 74 -1.204 -0.165 -5.641 269 HG SER 74 HG SER 74 1.390 -0.050 -4.484 270 H LEU 75 HN LEU 75 1.611 -2.545 -6.596 271 HA LEU 75 HA LEU 75 3.298 -4.225 -5.296 272 HB2 LEU 75 HB2 LEU 75 3.631 -2.215 -7.392 273 HB3 LEU 75 HB1 LEU 75 5.107 -2.480 -6.463 274 HG LEU 75 HG LEU 75 4.913 -4.912 -6.838 275 HD11 LEU 75 HD11 LEU 75 2.254 -4.125 -7.677 276 HD12 LEU 75 HD12 LEU 75 2.880 -5.740 -7.343 277 HD13 LEU 75 HD13 LEU 75 3.055 -5.041 -8.954 278 HD21 LEU 75 HD21 LEU 75 4.861 -3.077 -9.241 279 HD22 LEU 75 HD22 LEU 75 5.162 -4.808 -9.403 280 HD23 LEU 75 HD23 LEU 75 6.261 -3.806 -8.454 281 H ARG 76 HN ARG 76 3.240 -0.686 -4.896 282 HA ARG 76 HA ARG 76 5.397 -0.505 -3.110 283 HB2 ARG 76 HB2 ARG 76 2.906 1.192 -3.394 284 HB3 ARG 76 HB1 ARG 76 4.256 1.617 -2.345 285 HG2 ARG 76 HG2 ARG 76 4.769 0.981 -5.237 286 HG3 ARG 76 HG1 ARG 76 4.164 2.574 -4.791 287 HD2 ARG 76 HD2 ARG 76 6.066 2.838 -3.219 288 HD3 ARG 76 HD1 ARG 76 6.687 1.272 -3.717 289 HE ARG 76 HE ARG 76 7.383 2.220 -5.739 290 HH11 ARG 76 HH11 ARG 76 7.870 4.035 -7.012 291 HH12 ARG 76 HH12 ARG 76 7.172 5.572 -6.625 292 HH21 ARG 76 HH21 ARG 76 5.410 4.384 -3.887 293 HH22 ARG 76 HH22 ARG 76 5.781 5.768 -4.858 294 H LYS 77 HN LYS 77 1.956 -1.146 -2.573 295 HA LYS 77 HA LYS 77 2.200 -1.207 0.303 296 HB2 LYS 77 HB2 LYS 77 0.024 -2.429 -1.411 297 HB3 LYS 77 HB1 LYS 77 -0.090 -1.963 0.283 298 HG2 LYS 77 HG2 LYS 77 0.403 -0.032 -2.004 299 HG3 LYS 77 HG1 LYS 77 -1.164 -0.309 -1.249 300 HD2 LYS 77 HD2 LYS 77 -0.097 0.356 0.959 301 HD3 LYS 77 HD1 LYS 77 1.314 0.867 0.033 302 HE2 LYS 77 HE2 LYS 77 -0.170 2.777 0.420 303 HE3 LYS 77 HE1 LYS 77 -0.109 2.386 -1.298 304 HZ1 LYS 77 HZ1 LYS 77 -2.192 1.340 -1.192 305 HZ2 LYS 77 HZ2 LYS 77 -2.379 2.786 -0.322 306 HZ3 LYS 77 HZ3 LYS 77 -2.199 1.313 0.504 307 H LEU 78 HN LEU 78 1.635 -3.679 -2.190 308 HA LEU 78 HA LEU 78 1.578 -5.984 -0.886 309 HB2 LEU 78 HB2 LEU 78 1.929 -5.458 -3.445 310 HB3 LEU 78 HB1 LEU 78 3.606 -5.848 -3.079 311 HG LEU 78 HG LEU 78 2.596 -7.962 -1.912 312 HD11 LEU 78 HD11 LEU 78 0.550 -8.752 -3.201 313 HD12 LEU 78 HD12 LEU 78 0.357 -7.098 -3.769 314 HD13 LEU 78 HD13 LEU 78 0.244 -7.457 -2.048 315 HD21 LEU 78 HD21 LEU 78 2.978 -7.438 -4.844 316 HD22 LEU 78 HD22 LEU 78 2.461 -9.036 -4.306 317 HD23 LEU 78 HD23 LEU 78 3.990 -8.367 -3.738 318 H GLN 79 HN GLN 79 4.602 -4.145 -1.355 319 HA GLN 79 HA GLN 79 6.387 -5.992 -0.308 320 HB2 GLN 79 HB2 GLN 79 7.230 -3.971 -1.279 321 HB3 GLN 79 HB1 GLN 79 6.356 -2.978 -0.113 322 HG2 GLN 79 HG2 GLN 79 8.265 -5.023 0.940 323 HG3 GLN 79 HG1 GLN 79 8.931 -3.554 0.233 324 HE21 GLN 79 HE21 GLN 79 7.092 -1.608 1.033 325 HE22 GLN 79 HE22 GLN 79 7.045 -1.521 2.726 326 H ALA 80 HN ALA 80 4.304 -3.702 1.426 327 HA ALA 80 HA ALA 80 5.327 -4.265 4.012 328 HB1 ALA 80 HB1 ALA 80 3.151 -2.740 2.863 329 HB2 ALA 80 HB2 ALA 80 3.973 -2.516 4.408 330 HB3 ALA 80 HB3 ALA 80 2.605 -3.623 4.289 331 H ASP 81 HN ASP 81 3.295 -5.979 1.838 332 HA ASP 81 HA ASP 81 1.948 -7.599 3.789 333 HB2 ASP 81 HB2 ASP 81 1.249 -7.061 1.338 334 HB3 ASP 81 HB1 ASP 81 2.312 -8.402 0.920 335 H GLY 82 HN GLY 82 5.153 -7.560 2.726 336 HA2 GLY 82 HA2 GLY 82 6.866 -8.965 3.311 337 HA3 GLY 82 HA1 GLY 82 5.688 -10.044 4.041 338 H ARG 83 HN ARG 83 4.602 -9.534 0.947 339 HA ARG 83 HA ARG 83 5.275 -12.175 0.142 340 HB2 ARG 83 HB2 ARG 83 4.098 -9.838 -1.362 341 HB3 ARG 83 HB1 ARG 83 4.323 -11.434 -2.083 342 HG2 ARG 83 HG2 ARG 83 2.957 -12.447 -0.304 343 HG3 ARG 83 HG1 ARG 83 2.748 -10.866 0.447 344 HD2 ARG 83 HD2 ARG 83 1.611 -10.049 -1.576 345 HD3 ARG 83 HD1 ARG 83 1.826 -11.620 -2.339 346 HE ARG 83 HE ARG 83 0.505 -12.007 0.114 347 HH11 ARG 83 HH11 ARG 83 -1.743 -12.313 0.120 348 HH12 ARG 83 HH12 ARG 83 -2.688 -11.771 -1.226 349 HH21 ARG 83 HH21 ARG 83 0.031 -10.529 -2.980 350 HH22 ARG 83 HH22 ARG 83 -1.685 -10.761 -2.980 351 H ILE 84 HN ILE 84 6.511 -9.009 -0.884 352 HA ILE 84 HA ILE 84 8.697 -10.400 -2.313 353 HB ILE 84 HB ILE 84 9.024 -8.268 -3.525 354 HG12 ILE 84 HG12 ILE 84 6.482 -7.379 -2.143 355 HG13 ILE 84 HG11 ILE 84 8.086 -6.830 -1.659 356 HG21 ILE 84 HG21 ILE 84 7.626 -9.277 -4.964 357 HG22 ILE 84 HG22 ILE 84 6.293 -8.416 -4.196 358 HG23 ILE 84 HG23 ILE 84 6.738 -10.030 -3.640 359 HD11 ILE 84 HD11 ILE 84 6.953 -6.526 -4.453 360 HD12 ILE 84 HD12 ILE 84 8.472 -5.861 -3.853 361 HD13 ILE 84 HD13 ILE 84 6.938 -5.253 -3.232 362 H THR 85 HN THR 85 10.832 -9.294 -2.292 363 HA THR 85 HA THR 85 11.842 -9.124 0.278 364 HB THR 85 HB THR 85 13.381 -9.539 -1.466 365 HG1 THR 85 HG1 THR 85 14.830 -8.304 -0.620 366 HG21 THR 85 HG21 THR 85 13.772 -7.813 -3.270 367 HG22 THR 85 HG22 THR 85 12.334 -6.977 -2.689 368 HG23 THR 85 HG23 THR 85 12.200 -8.607 -3.342 369 H GLU 86 HN GLU 86 12.000 -7.583 1.770 370 HA GLU 86 HA GLU 86 10.630 -5.062 1.316 371 HB2 GLU 86 HB2 GLU 86 11.976 -6.239 3.760 372 HB3 GLU 86 HB1 GLU 86 11.133 -4.689 3.739 373 HG2 GLU 86 HG2 GLU 86 9.060 -5.812 3.038 374 HG3 GLU 86 HG1 GLU 86 9.896 -7.362 3.020 375 H GLU 87 HN GLU 87 13.880 -6.287 1.625 376 HA GLU 87 HA GLU 87 15.249 -3.904 2.177 377 HB2 GLU 87 HB2 GLU 87 16.108 -6.391 0.691 378 HB3 GLU 87 HB1 GLU 87 17.210 -5.088 1.136 379 HG2 GLU 87 HG2 GLU 87 15.462 -6.551 3.131 380 HG3 GLU 87 HG1 GLU 87 17.131 -7.000 2.787 381 H GLN 88 HN GLN 88 14.233 -5.306 -0.940 382 HA GLN 88 HA GLN 88 15.673 -3.522 -2.578 383 HB2 GLN 88 HB2 GLN 88 14.532 -5.597 -3.374 384 HB3 GLN 88 HB1 GLN 88 12.984 -4.781 -3.167 385 HG2 GLN 88 HG2 GLN 88 13.685 -4.617 -5.501 386 HG3 GLN 88 HG1 GLN 88 13.723 -3.020 -4.761 387 HE21 GLN 88 HE21 GLN 88 15.550 -1.906 -5.446 388 HE22 GLN 88 HE22 GLN 88 17.082 -2.597 -5.685 389 H ALA 89 HN ALA 89 12.417 -3.297 -1.186 390 HA ALA 89 HA ALA 89 11.667 -0.878 -2.434 391 HB1 ALA 89 HB1 ALA 89 10.785 -2.131 0.169 392 HB2 ALA 89 HB2 ALA 89 9.993 -2.262 -1.402 393 HB3 ALA 89 HB3 ALA 89 10.017 -0.717 -0.552 394 H LYS 90 HN LYS 90 13.326 -1.539 0.627 395 HA LYS 90 HA LYS 90 13.302 1.068 1.657 396 HB2 LYS 90 HB2 LYS 90 15.291 -1.179 2.032 397 HB3 LYS 90 HB1 LYS 90 15.293 0.303 2.982 398 HG2 LYS 90 HG2 LYS 90 12.898 -1.539 2.797 399 HG3 LYS 90 HG1 LYS 90 14.115 -1.676 4.058 400 HD2 LYS 90 HD2 LYS 90 13.633 0.761 4.617 401 HD3 LYS 90 HD1 LYS 90 12.244 0.644 3.537 402 HE2 LYS 90 HE2 LYS 90 11.350 -1.227 4.845 403 HE3 LYS 90 HE1 LYS 90 12.731 -1.130 5.938 404 HZ1 LYS 90 HZ1 LYS 90 10.583 0.063 6.592 405 HZ2 LYS 90 HZ2 LYS 90 11.028 1.226 5.435 406 HZ3 LYS 90 HZ3 LYS 90 12.044 0.908 6.759 407 H ALA 91 HN ALA 91 15.604 -0.511 -0.545 408 HA ALA 91 HA ALA 91 17.594 1.441 -0.494 409 HB1 ALA 91 HB1 ALA 91 16.847 0.036 -3.042 410 HB2 ALA 91 HB2 ALA 91 17.519 -0.870 -1.686 411 HB3 ALA 91 HB3 ALA 91 18.450 0.434 -2.422 412 H TYR 92 HN TYR 92 14.634 1.278 -2.469 413 HA TYR 92 HA TYR 92 15.186 3.578 -4.035 414 HB2 TYR 92 HB2 TYR 92 13.463 1.862 -4.598 415 HB3 TYR 92 HB1 TYR 92 12.487 2.449 -3.252 416 HD1 TYR 92 HD1 TYR 92 14.045 3.436 -6.485 417 HD2 TYR 92 HD2 TYR 92 11.183 4.437 -3.442 418 HE1 TYR 92 HE1 TYR 92 13.139 5.236 -7.928 419 HE2 TYR 92 HE2 TYR 92 10.277 6.239 -4.884 420 HH TYR 92 HH TYR 92 10.396 7.249 -6.853 421 H LYS 93 HN LYS 93 13.580 3.050 -0.956 422 HA LYS 93 HA LYS 93 12.583 5.685 -0.600 423 HB2 LYS 93 HB2 LYS 93 13.150 3.454 1.356 424 HB3 LYS 93 HB1 LYS 93 12.357 4.969 1.796 425 HG2 LYS 93 HG2 LYS 93 10.596 4.539 0.126 426 HG3 LYS 93 HG1 LYS 93 11.384 3.023 -0.318 427 HD2 LYS 93 HD2 LYS 93 11.074 2.170 1.962 428 HD3 LYS 93 HD1 LYS 93 10.332 3.695 2.447 429 HE2 LYS 93 HE2 LYS 93 8.591 2.040 1.953 430 HE3 LYS 93 HE1 LYS 93 8.542 3.340 0.762 431 HZ1 LYS 93 HZ1 LYS 93 9.017 0.575 0.366 432 HZ2 LYS 93 HZ2 LYS 93 10.333 1.482 -0.211 433 HZ3 LYS 93 HZ3 LYS 93 8.764 1.793 -0.787 434 H GLU 94 HN GLU 94 15.779 4.558 -0.516 435 HA GLU 94 HA GLU 94 16.836 6.021 1.656 436 HB2 GLU 94 HB2 GLU 94 18.080 5.087 -0.933 437 HB3 GLU 94 HB1 GLU 94 18.995 5.890 0.341 438 HG2 GLU 94 HG2 GLU 94 18.435 4.148 1.926 439 HG3 GLU 94 HG1 GLU 94 17.338 3.394 0.773 440 H TYR 95 HN TYR 95 15.846 6.958 -1.553 441 HA TYR 95 HA TYR 95 17.294 9.364 -1.810 442 HB2 TYR 95 HB2 TYR 95 16.125 8.407 -3.706 443 HB3 TYR 95 HB1 TYR 95 14.576 8.573 -2.880 444 HD1 TYR 95 HD1 TYR 95 17.471 10.528 -4.202 445 HD2 TYR 95 HD2 TYR 95 13.352 10.594 -2.981 446 HE1 TYR 95 HE1 TYR 95 17.249 12.840 -5.072 447 HE2 TYR 95 HE2 TYR 95 13.132 12.906 -3.850 448 HH TYR 95 HH TYR 95 15.887 14.761 -4.854 449 H ASN 96 HN ASN 96 14.037 8.728 -0.521 450 HA ASN 96 HA ASN 96 13.463 11.405 0.203 451 HB2 ASN 96 HB2 ASN 96 12.395 8.759 1.193 452 HB3 ASN 96 HB1 ASN 96 11.777 10.311 1.755 453 HD21 ASN 96 HD21 ASN 96 10.161 8.432 0.261 454 HD22 ASN 96 HD22 ASN 96 9.783 9.151 -1.230 455 H ASP 97 HN ASP 97 14.924 8.708 1.964 456 HA ASP 97 HA ASP 97 15.063 9.938 4.497 457 HB2 ASP 97 HB2 ASP 97 16.732 7.779 3.204 458 HB3 ASP 97 HB1 ASP 97 16.953 8.288 4.876 459 H LYS 98 HN LYS 98 17.284 9.961 1.741 460 HA LYS 98 HA LYS 98 19.458 11.231 2.992 461 HB2 LYS 98 HB2 LYS 98 19.575 10.171 0.770 462 HB3 LYS 98 HB1 LYS 98 18.549 11.440 0.111 463 HG2 LYS 98 HG2 LYS 98 20.234 13.134 0.704 464 HG3 LYS 98 HG1 LYS 98 21.258 11.882 1.405 465 HD2 LYS 98 HD2 LYS 98 21.414 10.773 -0.791 466 HD3 LYS 98 HD1 LYS 98 20.386 12.022 -1.496 467 HE2 LYS 98 HE2 LYS 98 22.051 13.739 -0.902 468 HE3 LYS 98 HE1 LYS 98 23.078 12.498 -0.185 469 HZ1 LYS 98 HZ1 LYS 98 23.213 13.308 -2.744 470 HZ2 LYS 98 HZ2 LYS 98 22.230 11.928 -2.881 471 HZ3 LYS 98 HZ3 LYS 98 23.773 11.810 -2.178 472 H ASN 99 HN ASN 99 16.713 12.584 1.188 473 HA ASN 99 HA ASN 99 17.452 15.288 1.401 474 HB2 ASN 99 HB2 ASN 99 15.619 14.426 -0.059 475 HB3 ASN 99 HB1 ASN 99 14.634 14.178 1.382 476 HD21 ASN 99 HD21 ASN 99 13.828 15.994 -0.688 477 HD22 ASN 99 HD22 ASN 99 13.884 17.572 -0.061 478 H GLY 100 HN GLY 100 15.722 13.144 3.603 479 HA2 GLY 100 HA2 GLY 100 14.942 15.132 5.471 480 HA3 GLY 100 HA1 GLY 100 15.035 13.400 5.779 481 H GLY 101 HN GLY 101 17.986 13.932 4.688 482 HA2 GLY 101 HA2 GLY 101 19.269 13.750 7.186 483 HA3 GLY 101 HA1 GLY 101 20.062 14.132 5.662 484 H ALA 102 HN ALA 102 18.072 16.464 5.446 485 HA ALA 102 HA ALA 102 19.790 18.502 6.367 486 HB1 ALA 102 HB1 ALA 102 17.738 18.451 4.633 487 HB2 ALA 102 HB2 ALA 102 18.328 19.942 5.369 488 HB3 ALA 102 HB3 ALA 102 16.910 19.131 6.034 489 H ASN 103 HN ASN 103 16.893 17.044 7.776 490 HA ASN 103 HA ASN 103 17.676 18.000 10.407 491 HB2 ASN 103 HB2 ASN 103 15.545 19.129 10.866 492 HB3 ASN 103 HB1 ASN 103 16.402 19.916 9.541 493 HD21 ASN 103 HD21 ASN 103 14.161 20.713 8.912 494 HD22 ASN 103 HD22 ASN 103 13.166 19.682 8.004 495 H ARG 104 HN ARG 104 15.937 17.287 12.065 496 HA ARG 104 HA ARG 104 15.082 14.556 11.321 497 HB2 ARG 104 HB2 ARG 104 15.826 15.745 13.997 498 HB3 ARG 104 HB1 ARG 104 15.148 14.132 13.794 499 HG2 ARG 104 HG2 ARG 104 17.027 13.520 12.330 500 HG3 ARG 104 HG1 ARG 104 17.707 15.137 12.530 501 HD2 ARG 104 HD2 ARG 104 17.882 14.765 14.961 502 HD3 ARG 104 HD1 ARG 104 17.207 13.151 14.763 503 HE ARG 104 HE ARG 104 19.433 13.399 13.070 504 HH11 ARG 104 HH11 ARG 104 21.415 12.485 13.715 505 HH12 ARG 104 HH12 ARG 104 21.701 12.146 15.390 506 HH21 ARG 104 HH21 ARG 104 18.601 13.306 16.425 507 HH22 ARG 104 HH22 ARG 104 20.107 12.611 16.924 508 H LYS 105 HN LYS 105 13.004 14.012 11.402 509 HA LYS 105 HA LYS 105 11.082 15.974 12.494 510 HB2 LYS 105 HB2 LYS 105 10.755 13.894 10.326 511 HB3 LYS 105 HB1 LYS 105 9.450 14.912 10.938 512 HG2 LYS 105 HG2 LYS 105 10.856 16.924 10.342 513 HG3 LYS 105 HG1 LYS 105 11.977 15.828 9.540 514 HD2 LYS 105 HD2 LYS 105 9.029 15.949 8.859 515 HD3 LYS 105 HD1 LYS 105 10.244 16.918 8.026 516 HE2 LYS 105 HE2 LYS 105 11.464 14.780 7.479 517 HE3 LYS 105 HE1 LYS 105 10.094 13.893 8.140 518 HZ1 LYS 105 HZ1 LYS 105 10.335 15.285 5.638 519 HZ2 LYS 105 HZ2 LYS 105 8.908 15.651 6.483 520 HZ3 LYS 105 HZ3 LYS 105 9.276 14.038 6.090 521 H VAL 106 HN VAL 106 12.441 14.068 14.118 522 HA VAL 106 HA VAL 106 10.266 12.180 14.810 523 HB VAL 106 HB VAL 106 13.220 12.036 15.457 524 HG11 VAL 106 HG11 VAL 106 10.845 10.677 16.524 525 HG12 VAL 106 HG12 VAL 106 12.484 10.743 17.168 526 HG13 VAL 106 HG13 VAL 106 12.073 9.564 15.923 527 HG21 VAL 106 HG21 VAL 106 12.241 9.795 13.998 528 HG22 VAL 106 HG22 VAL 106 13.398 11.011 13.457 529 HG23 VAL 106 HG23 VAL 106 11.674 11.242 13.166 530 H ASN 107 HN ASN 107 9.171 12.551 16.608 531 HA ASN 107 HA ASN 107 10.070 14.630 18.452 532 HB2 ASN 107 HB2 ASN 107 7.854 14.490 19.406 533 HB3 ASN 107 HB1 ASN 107 7.702 14.527 17.651 534 HD21 ASN 107 HD21 ASN 107 5.502 13.473 18.673 535 HD22 ASN 107 HD22 ASN 107 5.495 11.775 18.649 536 H ASP 108 HN ASP 108 9.449 14.073 20.869 537 HA ASP 108 HA ASP 108 11.049 11.723 21.555 538 HB2 ASP 108 HB2 ASP 108 9.894 13.584 23.593 539 HB3 ASP 108 HB1 ASP 108 11.434 12.727 23.607 Start of MODEL 9 1 HA THR 40 HA THR 40 -40.924 5.156 -22.245 2 HB THR 40 HB THR 40 -38.009 4.889 -21.838 3 HG1 THR 40 HG1 THR 40 -38.184 5.957 -24.192 4 HG21 THR 40 HG21 THR 40 -39.568 3.191 -22.866 5 HG22 THR 40 HG22 THR 40 -38.183 3.612 -23.875 6 HG23 THR 40 HG23 THR 40 -39.771 4.295 -24.227 7 H LYS 41 HN LYS 41 -39.069 3.314 -21.025 8 HA LYS 41 HA LYS 41 -38.905 2.101 -19.080 9 HB2 LYS 41 HB2 LYS 41 -38.664 4.892 -17.932 10 HB3 LYS 41 HB1 LYS 41 -38.269 3.406 -17.067 11 HG2 LYS 41 HG2 LYS 41 -36.588 2.850 -18.791 12 HG3 LYS 41 HG1 LYS 41 -36.973 4.346 -19.642 13 HD2 LYS 41 HD2 LYS 41 -36.286 5.658 -17.676 14 HD3 LYS 41 HD1 LYS 41 -35.918 4.168 -16.804 15 HE2 LYS 41 HE2 LYS 41 -33.860 5.105 -17.743 16 HE3 LYS 41 HE1 LYS 41 -34.247 3.586 -18.552 17 HZ1 LYS 41 HZ1 LYS 41 -35.409 5.953 -19.746 18 HZ2 LYS 41 HZ2 LYS 41 -34.659 4.618 -20.482 19 HZ3 LYS 41 HZ3 LYS 41 -33.717 5.872 -19.831 20 H GLN 42 HN GLN 42 -41.543 2.565 -19.978 21 HA GLN 42 HA GLN 42 -43.262 3.501 -17.926 22 HB2 GLN 42 HB2 GLN 42 -45.046 2.413 -19.191 23 HB3 GLN 42 HB1 GLN 42 -43.957 3.263 -20.288 24 HG2 GLN 42 HG2 GLN 42 -42.754 1.107 -20.690 25 HG3 GLN 42 HG1 GLN 42 -43.958 0.287 -19.698 26 HE21 GLN 42 HE21 GLN 42 -43.228 0.853 -22.872 27 HE22 GLN 42 HE22 GLN 42 -44.790 0.819 -23.534 28 H LYS 43 HN LYS 43 -41.645 0.467 -18.474 29 HA LYS 43 HA LYS 43 -42.500 -0.480 -15.865 30 HB2 LYS 43 HB2 LYS 43 -44.306 -1.279 -17.364 31 HB3 LYS 43 HB1 LYS 43 -43.102 -2.101 -18.354 32 HG2 LYS 43 HG2 LYS 43 -42.434 -3.483 -16.436 33 HG3 LYS 43 HG1 LYS 43 -43.593 -2.637 -15.408 34 HD2 LYS 43 HD2 LYS 43 -45.437 -3.414 -16.869 35 HD3 LYS 43 HD1 LYS 43 -44.271 -4.289 -17.860 36 HE2 LYS 43 HE2 LYS 43 -44.721 -4.760 -14.898 37 HE3 LYS 43 HE1 LYS 43 -45.375 -5.767 -16.191 38 HZ1 LYS 43 HZ1 LYS 43 -42.553 -5.305 -16.431 39 HZ2 LYS 43 HZ2 LYS 43 -43.424 -6.764 -16.492 40 HZ3 LYS 43 HZ3 LYS 43 -42.966 -6.105 -14.994 41 H GLU 44 HN GLU 44 -40.911 -1.653 -14.919 42 HA GLU 44 HA GLU 44 -38.405 -1.939 -16.309 43 HB2 GLU 44 HB2 GLU 44 -39.314 -2.743 -13.539 44 HB3 GLU 44 HB1 GLU 44 -37.670 -2.983 -14.136 45 HG2 GLU 44 HG2 GLU 44 -37.409 -0.590 -14.509 46 HG3 GLU 44 HG1 GLU 44 -39.088 -0.304 -14.058 47 H ALA 45 HN ALA 45 -37.511 -3.728 -17.174 48 HA ALA 45 HA ALA 45 -39.196 -6.114 -17.387 49 HB1 ALA 45 HB1 ALA 45 -36.984 -4.920 -18.957 50 HB2 ALA 45 HB2 ALA 45 -38.432 -5.766 -19.507 51 HB3 ALA 45 HB3 ALA 45 -37.045 -6.683 -18.917 52 H VAL 46 HN VAL 46 -36.930 -5.006 -15.301 53 HA VAL 46 HA VAL 46 -35.993 -7.732 -14.657 54 HB VAL 46 HB VAL 46 -33.860 -6.739 -13.920 55 HG11 VAL 46 HG11 VAL 46 -33.803 -5.643 -16.591 56 HG12 VAL 46 HG12 VAL 46 -34.770 -7.117 -16.568 57 HG13 VAL 46 HG13 VAL 46 -33.102 -7.150 -16.000 58 HG21 VAL 46 HG21 VAL 46 -35.370 -4.284 -14.418 59 HG22 VAL 46 HG22 VAL 46 -33.788 -4.271 -15.197 60 HG23 VAL 46 HG23 VAL 46 -33.912 -4.523 -13.456 61 H ASN 47 HN ASN 47 -35.308 -7.948 -12.367 62 HA ASN 47 HA ASN 47 -37.344 -7.162 -10.604 63 HB2 ASN 47 HB2 ASN 47 -34.544 -8.179 -10.100 64 HB3 ASN 47 HB1 ASN 47 -35.718 -7.914 -8.813 65 HD21 ASN 47 HD21 ASN 47 -34.672 -10.536 -9.476 66 HD22 ASN 47 HD22 ASN 47 -35.964 -11.468 -10.060 67 H ASP 48 HN ASP 48 -37.427 -5.633 -8.960 68 HA ASP 48 HA ASP 48 -36.297 -3.107 -9.514 69 HB2 ASP 48 HB2 ASP 48 -37.614 -4.189 -7.018 70 HB3 ASP 48 HB1 ASP 48 -37.183 -2.496 -7.248 71 H LYS 49 HN LYS 49 -34.612 -1.986 -8.620 72 HA LYS 49 HA LYS 49 -32.564 -3.603 -7.295 73 HB2 LYS 49 HB2 LYS 49 -32.486 -0.823 -8.488 74 HB3 LYS 49 HB1 LYS 49 -31.109 -1.622 -7.733 75 HG2 LYS 49 HG2 LYS 49 -31.282 -3.469 -9.363 76 HG3 LYS 49 HG1 LYS 49 -32.657 -2.666 -10.123 77 HD2 LYS 49 HD2 LYS 49 -31.233 -0.720 -10.649 78 HD3 LYS 49 HD1 LYS 49 -29.856 -1.522 -9.892 79 HE2 LYS 49 HE2 LYS 49 -30.025 -3.363 -11.524 80 HE3 LYS 49 HE1 LYS 49 -31.407 -2.570 -12.280 81 HZ1 LYS 49 HZ1 LYS 49 -29.949 -0.634 -12.686 82 HZ2 LYS 49 HZ2 LYS 49 -29.447 -2.035 -13.508 83 HZ3 LYS 49 HZ3 LYS 49 -28.631 -1.531 -12.105 84 H GLY 50 HN GLY 50 -35.130 -1.900 -6.291 85 HA2 GLY 50 HA2 GLY 50 -35.738 -1.129 -4.193 86 HA3 GLY 50 HA1 GLY 50 -34.147 -1.614 -3.615 87 H LYS 51 HN LYS 51 -34.727 0.604 -6.292 88 HA LYS 51 HA LYS 51 -32.924 2.552 -5.360 89 HB2 LYS 51 HB2 LYS 51 -35.206 2.719 -7.331 90 HB3 LYS 51 HB1 LYS 51 -34.084 4.048 -7.044 91 HG2 LYS 51 HG2 LYS 51 -32.194 2.451 -7.574 92 HG3 LYS 51 HG1 LYS 51 -33.410 1.280 -8.070 93 HD2 LYS 51 HD2 LYS 51 -33.242 4.063 -9.246 94 HD3 LYS 51 HD1 LYS 51 -32.408 2.678 -9.948 95 HE2 LYS 51 HE2 LYS 51 -34.638 1.503 -10.080 96 HE3 LYS 51 HE1 LYS 51 -35.400 3.015 -9.583 97 HZ1 LYS 51 HZ1 LYS 51 -33.613 2.769 -11.934 98 HZ2 LYS 51 HZ2 LYS 51 -34.555 4.111 -11.492 99 HZ3 LYS 51 HZ3 LYS 51 -35.305 2.682 -12.021 100 H ALA 52 HN ALA 52 -36.431 2.232 -4.999 101 HA ALA 52 HA ALA 52 -36.943 4.756 -3.861 102 HB1 ALA 52 HB1 ALA 52 -38.713 2.981 -2.632 103 HB2 ALA 52 HB2 ALA 52 -38.351 2.233 -4.186 104 HB3 ALA 52 HB3 ALA 52 -38.995 3.873 -4.127 105 H ALA 53 HN ALA 53 -35.922 1.685 -2.433 106 HA ALA 53 HA ALA 53 -36.122 2.462 0.281 107 HB1 ALA 53 HB1 ALA 53 -34.842 0.516 0.771 108 HB2 ALA 53 HB2 ALA 53 -34.106 0.508 -0.831 109 HB3 ALA 53 HB3 ALA 53 -35.812 0.105 -0.642 110 H VAL 54 HN VAL 54 -34.594 3.302 1.701 111 HA VAL 54 HA VAL 54 -32.934 5.329 0.837 112 HB VAL 54 HB VAL 54 -33.715 4.782 3.218 113 HG11 VAL 54 HG11 VAL 54 -31.081 3.326 3.381 114 HG12 VAL 54 HG12 VAL 54 -32.578 2.458 3.037 115 HG13 VAL 54 HG13 VAL 54 -32.399 3.348 4.551 116 HG21 VAL 54 HG21 VAL 54 -30.988 5.788 2.436 117 HG22 VAL 54 HG22 VAL 54 -31.444 5.712 4.137 118 HG23 VAL 54 HG23 VAL 54 -32.380 6.700 3.017 119 H VAL 55 HN VAL 55 -31.042 5.418 -0.164 120 HA VAL 55 HA VAL 55 -29.665 3.102 -1.036 121 HB VAL 55 HB VAL 55 -29.682 5.352 -2.176 122 HG11 VAL 55 HG11 VAL 55 -29.141 6.545 0.039 123 HG12 VAL 55 HG12 VAL 55 -28.273 7.097 -1.393 124 HG13 VAL 55 HG13 VAL 55 -27.475 6.036 -0.232 125 HG21 VAL 55 HG21 VAL 55 -26.925 4.236 -1.575 126 HG22 VAL 55 HG22 VAL 55 -27.421 5.104 -3.029 127 HG23 VAL 55 HG23 VAL 55 -28.064 3.495 -2.700 128 H LYS 56 HN LYS 56 -29.539 4.874 1.877 129 HA LYS 56 HA LYS 56 -26.871 4.568 2.645 130 HB2 LYS 56 HB2 LYS 56 -28.432 6.027 3.831 131 HB3 LYS 56 HB1 LYS 56 -29.370 4.632 4.352 132 HG2 LYS 56 HG2 LYS 56 -27.950 5.356 6.189 133 HG3 LYS 56 HG1 LYS 56 -27.361 3.805 5.608 134 HD2 LYS 56 HD2 LYS 56 -25.540 4.857 4.423 135 HD3 LYS 56 HD1 LYS 56 -26.214 6.463 4.708 136 HE2 LYS 56 HE2 LYS 56 -25.882 6.162 7.132 137 HE3 LYS 56 HE1 LYS 56 -25.225 4.552 6.844 138 HZ1 LYS 56 HZ1 LYS 56 -23.286 5.378 6.099 139 HZ2 LYS 56 HZ2 LYS 56 -23.730 6.743 7.008 140 HZ3 LYS 56 HZ3 LYS 56 -24.005 6.708 5.333 141 H VAL 57 HN VAL 57 -29.616 2.349 2.987 142 HA VAL 57 HA VAL 57 -28.403 0.467 4.675 143 HB VAL 57 HB VAL 57 -30.526 0.156 2.549 144 HG11 VAL 57 HG11 VAL 57 -29.799 -2.046 2.739 145 HG12 VAL 57 HG12 VAL 57 -30.969 -1.970 4.057 146 HG13 VAL 57 HG13 VAL 57 -29.245 -1.829 4.399 147 HG21 VAL 57 HG21 VAL 57 -32.048 0.506 4.264 148 HG22 VAL 57 HG22 VAL 57 -30.720 1.518 4.832 149 HG23 VAL 57 HG23 VAL 57 -30.947 -0.096 5.504 150 H VAL 58 HN VAL 58 -28.472 0.596 1.107 151 HA VAL 58 HA VAL 58 -26.811 -1.762 0.879 152 HB VAL 58 HB VAL 58 -26.843 -1.245 -1.545 153 HG11 VAL 58 HG11 VAL 58 -29.279 -1.469 0.149 154 HG12 VAL 58 HG12 VAL 58 -28.682 -2.550 -1.110 155 HG13 VAL 58 HG13 VAL 58 -29.535 -1.071 -1.551 156 HG21 VAL 58 HG21 VAL 58 -26.829 1.202 -1.392 157 HG22 VAL 58 HG22 VAL 58 -28.413 1.178 -0.615 158 HG23 VAL 58 HG23 VAL 58 -28.247 0.669 -2.295 159 H GLU 59 HN GLU 59 -26.284 1.617 1.240 160 HA GLU 59 HA GLU 59 -23.878 1.981 -0.097 161 HB2 GLU 59 HB2 GLU 59 -25.267 3.787 0.856 162 HB3 GLU 59 HB1 GLU 59 -24.821 3.258 2.478 163 HG2 GLU 59 HG2 GLU 59 -22.478 3.684 2.009 164 HG3 GLU 59 HG1 GLU 59 -22.870 4.120 0.349 165 H SER 60 HN SER 60 -24.493 0.874 3.252 166 HA SER 60 HA SER 60 -21.775 0.719 4.016 167 HB2 SER 60 HB2 SER 60 -22.575 -0.718 5.830 168 HB3 SER 60 HB1 SER 60 -23.650 0.662 5.624 169 HG SER 60 HG SER 60 -25.142 -0.801 5.408 170 H GLN 61 HN GLN 61 -23.958 -1.537 2.428 171 HA GLN 61 HA GLN 61 -22.236 -3.797 2.508 172 HB2 GLN 61 HB2 GLN 61 -24.580 -3.079 0.742 173 HB3 GLN 61 HB1 GLN 61 -23.732 -4.624 0.643 174 HG2 GLN 61 HG2 GLN 61 -24.275 -5.144 2.940 175 HG3 GLN 61 HG1 GLN 61 -24.939 -3.532 3.198 176 HE21 GLN 61 HE21 GLN 61 -26.344 -6.178 3.428 177 HE22 GLN 61 HE22 GLN 61 -27.648 -6.090 2.344 178 H ALA 62 HN ALA 62 -22.700 -1.171 0.181 179 HA ALA 62 HA ALA 62 -21.181 -2.260 -1.929 180 HB1 ALA 62 HB1 ALA 62 -21.610 -0.303 -2.976 181 HB2 ALA 62 HB2 ALA 62 -21.065 0.664 -1.605 182 HB3 ALA 62 HB3 ALA 62 -22.691 -0.019 -1.610 183 H GLU 63 HN GLU 63 -20.221 -0.111 0.758 184 HA GLU 63 HA GLU 63 -17.494 0.029 -0.129 185 HB2 GLU 63 HB2 GLU 63 -17.064 1.155 2.003 186 HB3 GLU 63 HB1 GLU 63 -18.495 1.824 1.223 187 HG2 GLU 63 HG2 GLU 63 -19.922 0.385 2.638 188 HG3 GLU 63 HG1 GLU 63 -18.487 -0.234 3.450 189 H LEU 64 HN LEU 64 -19.307 -2.028 2.054 190 HA LEU 64 HA LEU 64 -17.146 -3.219 3.410 191 HB2 LEU 64 HB2 LEU 64 -19.499 -3.466 4.116 192 HB3 LEU 64 HB1 LEU 64 -19.836 -4.397 2.659 193 HG LEU 64 HG LEU 64 -18.207 -6.116 3.377 194 HD11 LEU 64 HD11 LEU 64 -16.582 -5.148 4.702 195 HD12 LEU 64 HD12 LEU 64 -17.632 -5.783 5.969 196 HD13 LEU 64 HD13 LEU 64 -17.731 -4.082 5.513 197 HD21 LEU 64 HD21 LEU 64 -19.633 -7.131 4.929 198 HD22 LEU 64 HD22 LEU 64 -20.704 -5.948 4.177 199 HD23 LEU 64 HD23 LEU 64 -19.982 -5.609 5.750 200 H TYR 65 HN TYR 65 -18.835 -4.064 0.416 201 HA TYR 65 HA TYR 65 -17.456 -6.437 -0.175 202 HB2 TYR 65 HB2 TYR 65 -19.496 -5.826 -1.345 203 HB3 TYR 65 HB1 TYR 65 -18.713 -4.401 -2.028 204 HD1 TYR 65 HD1 TYR 65 -18.553 -8.128 -1.918 205 HD2 TYR 65 HD2 TYR 65 -17.423 -4.549 -4.007 206 HE1 TYR 65 HE1 TYR 65 -17.706 -9.498 -3.803 207 HE2 TYR 65 HE2 TYR 65 -16.575 -5.918 -5.893 208 HH TYR 65 HH TYR 65 -16.193 -9.340 -5.653 209 H SER 66 HN SER 66 -16.815 -3.083 -1.200 210 HA SER 66 HA SER 66 -14.570 -3.637 -2.795 211 HB2 SER 66 HB2 SER 66 -15.312 -1.152 -1.243 212 HB3 SER 66 HB1 SER 66 -13.998 -1.229 -2.412 213 HG SER 66 HG SER 66 -16.213 -0.545 -3.132 214 H LEU 67 HN LEU 67 -14.807 -2.860 0.674 215 HA LEU 67 HA LEU 67 -12.009 -2.760 1.135 216 HB2 LEU 67 HB2 LEU 67 -14.457 -2.875 2.784 217 HB3 LEU 67 HB1 LEU 67 -13.006 -3.529 3.544 218 HG LEU 67 HG LEU 67 -11.800 -1.461 3.161 219 HD11 LEU 67 HD11 LEU 67 -12.403 -0.450 1.202 220 HD12 LEU 67 HD12 LEU 67 -13.500 0.448 2.250 221 HD13 LEU 67 HD13 LEU 67 -14.088 -0.946 1.346 222 HD21 LEU 67 HD21 LEU 67 -13.687 -1.733 5.011 223 HD22 LEU 67 HD22 LEU 67 -14.461 -0.445 4.088 224 HD23 LEU 67 HD23 LEU 67 -12.863 -0.190 4.785 225 H GLU 68 HN GLU 68 -14.393 -5.369 1.605 226 HA GLU 68 HA GLU 68 -12.528 -7.314 2.479 227 HB2 GLU 68 HB2 GLU 68 -14.969 -7.520 2.815 228 HB3 GLU 68 HB1 GLU 68 -15.181 -7.718 1.075 229 HG2 GLU 68 HG2 GLU 68 -13.811 -9.752 1.115 230 HG3 GLU 68 HG1 GLU 68 -13.517 -9.539 2.839 231 H LYS 69 HN LYS 69 -13.835 -6.485 -0.698 232 HA LYS 69 HA LYS 69 -12.371 -8.545 -2.071 233 HB2 LYS 69 HB2 LYS 69 -14.597 -7.436 -2.778 234 HB3 LYS 69 HB1 LYS 69 -13.592 -6.119 -3.368 235 HG2 LYS 69 HG2 LYS 69 -13.783 -7.466 -5.271 236 HG3 LYS 69 HG1 LYS 69 -12.260 -8.022 -4.583 237 HD2 LYS 69 HD2 LYS 69 -13.368 -9.941 -3.556 238 HD3 LYS 69 HD1 LYS 69 -14.945 -9.343 -4.069 239 HE2 LYS 69 HE2 LYS 69 -14.253 -9.559 -6.430 240 HE3 LYS 69 HE1 LYS 69 -12.683 -10.170 -5.910 241 HZ1 LYS 69 HZ1 LYS 69 -13.544 -12.182 -5.698 242 HZ2 LYS 69 HZ2 LYS 69 -15.029 -11.609 -6.293 243 HZ3 LYS 69 HZ3 LYS 69 -14.724 -11.616 -4.621 244 H ASN 70 HN ASN 70 -11.624 -5.442 -0.888 245 HA ASN 70 HA ASN 70 -9.822 -4.042 -1.154 246 HB2 ASN 70 HB2 ASN 70 -8.743 -6.222 -0.453 247 HB3 ASN 70 HB1 ASN 70 -8.395 -6.505 -2.158 248 HD21 ASN 70 HD21 ASN 70 -6.170 -6.283 -0.573 249 HD22 ASN 70 HD22 ASN 70 -5.421 -4.774 -0.782 250 H GLU 71 HN GLU 71 -11.466 -3.619 -3.198 251 HA GLU 71 HA GLU 71 -10.523 -4.138 -5.797 252 HB2 GLU 71 HB2 GLU 71 -12.219 -1.893 -4.696 253 HB3 GLU 71 HB1 GLU 71 -11.893 -2.104 -6.416 254 HG2 GLU 71 HG2 GLU 71 -12.912 -4.304 -6.399 255 HG3 GLU 71 HG1 GLU 71 -13.106 -4.239 -4.648 256 H ASP 72 HN ASP 72 -9.814 -1.493 -3.545 257 HA ASP 72 HA ASP 72 -7.603 -0.671 -5.329 258 HB2 ASP 72 HB2 ASP 72 -9.426 0.973 -5.482 259 HB3 ASP 72 HB1 ASP 72 -9.399 1.165 -3.729 260 H ALA 73 HN ALA 73 -5.834 -1.382 -4.265 261 HA ALA 73 HA ALA 73 -5.705 -1.034 -1.346 262 HB1 ALA 73 HB1 ALA 73 -5.214 -3.278 -2.398 263 HB2 ALA 73 HB2 ALA 73 -3.930 -2.645 -1.367 264 HB3 ALA 73 HB3 ALA 73 -3.785 -2.545 -3.122 265 H SER 74 HN SER 74 -4.557 0.575 -0.505 266 HA SER 74 HA SER 74 -3.075 2.391 -2.144 267 HB2 SER 74 HB2 SER 74 -2.672 3.610 -0.107 268 HB3 SER 74 HB1 SER 74 -4.332 3.023 -0.063 269 HG SER 74 HG SER 74 -2.066 1.812 1.154 270 H LEU 75 HN LEU 75 -0.813 3.021 -1.629 271 HA LEU 75 HA LEU 75 0.959 0.839 -1.964 272 HB2 LEU 75 HB2 LEU 75 1.285 3.363 -2.519 273 HB3 LEU 75 HB1 LEU 75 1.830 3.503 -0.852 274 HG LEU 75 HG LEU 75 2.985 1.528 -2.851 275 HD11 LEU 75 HD11 LEU 75 4.183 4.145 -1.915 276 HD12 LEU 75 HD12 LEU 75 3.356 3.942 -3.460 277 HD13 LEU 75 HD13 LEU 75 4.837 3.045 -3.128 278 HD21 LEU 75 HD21 LEU 75 3.668 0.657 -0.832 279 HD22 LEU 75 HD22 LEU 75 3.506 2.195 0.016 280 HD23 LEU 75 HD23 LEU 75 4.909 1.893 -1.005 281 H ARG 76 HN ARG 76 0.247 2.882 0.852 282 HA ARG 76 HA ARG 76 1.996 1.794 2.677 283 HB2 ARG 76 HB2 ARG 76 0.591 3.789 3.045 284 HB3 ARG 76 HB1 ARG 76 -0.826 2.751 3.185 285 HG2 ARG 76 HG2 ARG 76 0.143 1.631 5.125 286 HG3 ARG 76 HG1 ARG 76 1.618 2.588 4.964 287 HD2 ARG 76 HD2 ARG 76 0.234 3.615 6.641 288 HD3 ARG 76 HD1 ARG 76 0.239 4.657 5.236 289 HE ARG 76 HE ARG 76 -1.998 2.942 6.116 290 HH11 ARG 76 HH11 ARG 76 -4.019 3.656 5.417 291 HH12 ARG 76 HH12 ARG 76 -4.133 4.948 4.268 292 HH21 ARG 76 HH21 ARG 76 -0.715 5.385 3.987 293 HH22 ARG 76 HH22 ARG 76 -2.274 5.921 3.467 294 H LYS 77 HN LYS 77 -1.372 0.690 2.008 295 HA LYS 77 HA LYS 77 -1.303 -1.431 3.889 296 HB2 LYS 77 HB2 LYS 77 -2.911 -1.029 1.358 297 HB3 LYS 77 HB1 LYS 77 -3.146 -2.394 2.453 298 HG2 LYS 77 HG2 LYS 77 -3.726 -0.934 4.279 299 HG3 LYS 77 HG1 LYS 77 -3.245 0.492 3.363 300 HD2 LYS 77 HD2 LYS 77 -5.644 0.391 3.278 301 HD3 LYS 77 HD1 LYS 77 -5.058 -0.094 1.689 302 HE2 LYS 77 HE2 LYS 77 -5.417 -2.430 2.192 303 HE3 LYS 77 HE1 LYS 77 -5.772 -2.062 3.880 304 HZ1 LYS 77 HZ1 LYS 77 -7.682 -0.742 3.089 305 HZ2 LYS 77 HZ2 LYS 77 -7.809 -2.392 2.698 306 HZ3 LYS 77 HZ3 LYS 77 -7.367 -1.265 1.507 307 H LEU 78 HN LEU 78 -0.719 -1.337 0.414 308 HA LEU 78 HA LEU 78 -0.206 -3.891 -0.280 309 HB2 LEU 78 HB2 LEU 78 0.796 -1.338 -1.186 310 HB3 LEU 78 HB1 LEU 78 2.040 -2.577 -1.338 311 HG LEU 78 HG LEU 78 0.411 -4.026 -2.535 312 HD11 LEU 78 HD11 LEU 78 -1.787 -3.575 -2.464 313 HD12 LEU 78 HD12 LEU 78 -1.505 -2.020 -3.248 314 HD13 LEU 78 HD13 LEU 78 -1.449 -2.144 -1.492 315 HD21 LEU 78 HD21 LEU 78 0.061 -2.058 -4.428 316 HD22 LEU 78 HD22 LEU 78 1.530 -3.012 -4.225 317 HD23 LEU 78 HD23 LEU 78 1.401 -1.423 -3.473 318 H GLN 79 HN GLN 79 2.602 -1.903 0.738 319 HA GLN 79 HA GLN 79 4.271 -4.058 1.284 320 HB2 GLN 79 HB2 GLN 79 4.975 -1.662 1.094 321 HB3 GLN 79 HB1 GLN 79 4.309 -1.386 2.703 322 HG2 GLN 79 HG2 GLN 79 6.326 -3.579 2.227 323 HG3 GLN 79 HG1 GLN 79 6.844 -1.918 2.503 324 HE21 GLN 79 HE21 GLN 79 7.179 -4.313 4.299 325 HE22 GLN 79 HE22 GLN 79 6.439 -3.876 5.763 326 H ALA 80 HN ALA 80 1.964 -2.415 3.418 327 HA ALA 80 HA ALA 80 2.718 -3.686 5.820 328 HB1 ALA 80 HB1 ALA 80 0.703 -2.885 6.715 329 HB2 ALA 80 HB2 ALA 80 -0.139 -3.006 5.171 330 HB3 ALA 80 HB3 ALA 80 1.051 -1.731 5.429 331 H ASP 81 HN ASP 81 0.951 -4.752 3.040 332 HA ASP 81 HA ASP 81 -0.014 -7.170 4.387 333 HB2 ASP 81 HB2 ASP 81 -1.453 -5.826 2.792 334 HB3 ASP 81 HB1 ASP 81 -0.394 -6.373 1.500 335 H GLY 82 HN GLY 82 2.813 -6.207 3.129 336 HA2 GLY 82 HA2 GLY 82 4.714 -7.424 2.609 337 HA3 GLY 82 HA1 GLY 82 3.756 -8.894 2.719 338 H ARG 83 HN ARG 83 2.402 -6.537 0.648 339 HA ARG 83 HA ARG 83 2.584 -8.183 -1.633 340 HB2 ARG 83 HB2 ARG 83 1.918 -5.263 -1.287 341 HB3 ARG 83 HB1 ARG 83 1.854 -6.064 -2.856 342 HG2 ARG 83 HG2 ARG 83 0.406 -7.240 -0.494 343 HG3 ARG 83 HG1 ARG 83 -0.329 -5.934 -1.416 344 HD2 ARG 83 HD2 ARG 83 -0.084 -7.286 -3.485 345 HD3 ARG 83 HD1 ARG 83 0.590 -8.603 -2.540 346 HE ARG 83 HE ARG 83 -2.200 -7.778 -2.618 347 HH11 ARG 83 HH11 ARG 83 -3.626 -9.209 -1.582 348 HH12 ARG 83 HH12 ARG 83 -3.000 -10.457 -0.557 349 HH21 ARG 83 HH21 ARG 83 0.313 -9.566 -1.042 350 HH22 ARG 83 HH22 ARG 83 -0.772 -10.658 -0.252 351 H ILE 84 HN ILE 84 4.545 -5.419 -0.598 352 HA ILE 84 HA ILE 84 6.416 -6.043 -2.807 353 HB ILE 84 HB ILE 84 7.121 -3.690 -2.740 354 HG12 ILE 84 HG12 ILE 84 4.782 -3.297 -0.846 355 HG13 ILE 84 HG11 ILE 84 6.467 -3.297 -0.332 356 HG21 ILE 84 HG21 ILE 84 4.388 -3.034 -3.131 357 HG22 ILE 84 HG22 ILE 84 4.585 -4.723 -3.606 358 HG23 ILE 84 HG23 ILE 84 5.578 -3.474 -4.358 359 HD11 ILE 84 HD11 ILE 84 4.929 -1.215 -1.750 360 HD12 ILE 84 HD12 ILE 84 6.540 -1.499 -2.405 361 HD13 ILE 84 HD13 ILE 84 6.342 -1.056 -0.711 362 H THR 85 HN THR 85 8.697 -5.651 -2.340 363 HA THR 85 HA THR 85 9.400 -6.780 0.194 364 HB THR 85 HB THR 85 11.705 -6.617 -0.600 365 HG1 THR 85 HG1 THR 85 12.012 -4.851 -1.708 366 HG21 THR 85 HG21 THR 85 9.830 -7.373 -2.855 367 HG22 THR 85 HG22 THR 85 10.231 -8.414 -1.489 368 HG23 THR 85 HG23 THR 85 11.486 -7.937 -2.635 369 H GLU 86 HN GLU 86 10.803 -5.869 1.760 370 HA GLU 86 HA GLU 86 10.360 -3.000 2.169 371 HB2 GLU 86 HB2 GLU 86 11.410 -5.185 3.985 372 HB3 GLU 86 HB1 GLU 86 11.295 -3.486 4.450 373 HG2 GLU 86 HG2 GLU 86 8.880 -3.513 4.075 374 HG3 GLU 86 HG1 GLU 86 8.963 -5.180 3.508 375 H GLU 87 HN GLU 87 12.841 -5.369 1.575 376 HA GLU 87 HA GLU 87 15.124 -3.861 2.206 377 HB2 GLU 87 HB2 GLU 87 14.679 -6.133 0.270 378 HB3 GLU 87 HB1 GLU 87 16.271 -5.452 0.606 379 HG2 GLU 87 HG2 GLU 87 16.089 -6.014 2.952 380 HG3 GLU 87 HG1 GLU 87 14.410 -6.515 2.748 381 H GLN 88 HN GLN 88 13.265 -4.091 -0.830 382 HA GLN 88 HA GLN 88 15.081 -2.744 -2.470 383 HB2 GLN 88 HB2 GLN 88 13.192 -2.293 -3.925 384 HB3 GLN 88 HB1 GLN 88 13.048 -3.920 -3.273 385 HG2 GLN 88 HG2 GLN 88 11.530 -2.996 -1.494 386 HG3 GLN 88 HG1 GLN 88 11.575 -1.446 -2.334 387 HE21 GLN 88 HE21 GLN 88 9.607 -4.050 -2.014 388 HE22 GLN 88 HE22 GLN 88 8.900 -4.079 -3.556 389 H ALA 89 HN ALA 89 12.569 -1.453 -0.317 390 HA ALA 89 HA ALA 89 12.880 1.268 -1.064 391 HB1 ALA 89 HB1 ALA 89 11.187 1.559 0.379 392 HB2 ALA 89 HB2 ALA 89 12.141 0.923 1.719 393 HB3 ALA 89 HB3 ALA 89 11.239 -0.178 0.677 394 H LYS 90 HN LYS 90 14.364 -0.731 1.418 395 HA LYS 90 HA LYS 90 15.855 1.350 2.671 396 HB2 LYS 90 HB2 LYS 90 15.798 -1.612 2.781 397 HB3 LYS 90 HB1 LYS 90 17.316 -0.851 3.256 398 HG2 LYS 90 HG2 LYS 90 15.873 -1.111 5.216 399 HG3 LYS 90 HG1 LYS 90 16.064 0.602 4.848 400 HD2 LYS 90 HD2 LYS 90 13.892 0.599 3.676 401 HD3 LYS 90 HD1 LYS 90 13.710 -1.122 4.015 402 HE2 LYS 90 HE2 LYS 90 13.753 -0.659 6.435 403 HE3 LYS 90 HE1 LYS 90 13.944 1.063 6.103 404 HZ1 LYS 90 HZ1 LYS 90 11.823 1.148 5.092 405 HZ2 LYS 90 HZ2 LYS 90 11.620 0.322 6.563 406 HZ3 LYS 90 HZ3 LYS 90 11.662 -0.541 5.099 407 H ALA 91 HN ALA 91 16.858 -1.183 0.356 408 HA ALA 91 HA ALA 91 19.500 -0.327 0.049 409 HB1 ALA 91 HB1 ALA 91 17.974 -1.518 -2.242 410 HB2 ALA 91 HB2 ALA 91 18.287 -2.478 -0.795 411 HB3 ALA 91 HB3 ALA 91 19.634 -1.824 -1.728 412 H TYR 92 HN TYR 92 16.560 0.664 -1.683 413 HA TYR 92 HA TYR 92 17.788 2.193 -3.688 414 HB2 TYR 92 HB2 TYR 92 15.410 1.571 -3.733 415 HB3 TYR 92 HB1 TYR 92 15.108 2.623 -2.348 416 HD1 TYR 92 HD1 TYR 92 16.348 2.604 -5.866 417 HD2 TYR 92 HD2 TYR 92 14.761 4.950 -2.636 418 HE1 TYR 92 HE1 TYR 92 16.107 4.542 -7.393 419 HE2 TYR 92 HE2 TYR 92 14.519 6.888 -4.165 420 HH TYR 92 HH TYR 92 14.623 7.579 -6.288 421 H LYS 93 HN LYS 93 16.739 3.047 -0.413 422 HA LYS 93 HA LYS 93 17.167 5.807 -0.528 423 HB2 LYS 93 HB2 LYS 93 16.012 4.671 1.331 424 HB3 LYS 93 HB1 LYS 93 17.540 3.957 1.841 425 HG2 LYS 93 HG2 LYS 93 18.479 6.199 2.230 426 HG3 LYS 93 HG1 LYS 93 16.970 6.934 1.681 427 HD2 LYS 93 HD2 LYS 93 15.756 5.819 3.517 428 HD3 LYS 93 HD1 LYS 93 17.262 5.081 4.066 429 HE2 LYS 93 HE2 LYS 93 18.224 7.317 4.452 430 HE3 LYS 93 HE1 LYS 93 16.726 8.062 3.893 431 HZ1 LYS 93 HZ1 LYS 93 16.273 6.095 5.915 432 HZ2 LYS 93 HZ2 LYS 93 15.761 7.713 5.846 433 HZ3 LYS 93 HZ3 LYS 93 17.300 7.330 6.457 434 H GLU 94 HN GLU 94 19.453 3.175 0.254 435 HA GLU 94 HA GLU 94 21.617 4.624 1.121 436 HB2 GLU 94 HB2 GLU 94 21.521 2.148 0.991 437 HB3 GLU 94 HB1 GLU 94 21.720 2.253 -0.758 438 HG2 GLU 94 HG2 GLU 94 23.886 3.365 -0.475 439 HG3 GLU 94 HG1 GLU 94 23.685 3.346 1.276 440 H TYR 95 HN TYR 95 20.394 4.330 -2.168 441 HA TYR 95 HA TYR 95 22.632 5.273 -3.572 442 HB2 TYR 95 HB2 TYR 95 20.682 4.379 -4.737 443 HB3 TYR 95 HB1 TYR 95 19.689 5.710 -4.144 444 HD1 TYR 95 HD1 TYR 95 22.685 4.922 -6.221 445 HD2 TYR 95 HD2 TYR 95 19.638 7.796 -5.266 446 HE1 TYR 95 HE1 TYR 95 23.399 6.317 -8.143 447 HE2 TYR 95 HE2 TYR 95 20.352 9.191 -7.189 448 HH TYR 95 HH TYR 95 21.718 8.447 -9.590 449 H ASN 96 HN ASN 96 19.909 7.069 -2.135 450 HA ASN 96 HA ASN 96 20.760 9.650 -2.831 451 HB2 ASN 96 HB2 ASN 96 19.072 8.621 -0.548 452 HB3 ASN 96 HB1 ASN 96 19.337 10.336 -0.843 453 HD21 ASN 96 HD21 ASN 96 16.729 9.099 -1.043 454 HD22 ASN 96 HD22 ASN 96 16.238 9.195 -2.665 455 H ASP 97 HN ASP 97 21.562 7.587 -0.087 456 HA ASP 97 HA ASP 97 22.831 9.455 1.560 457 HB2 ASP 97 HB2 ASP 97 22.324 7.103 2.205 458 HB3 ASP 97 HB1 ASP 97 23.644 6.568 1.167 459 H LYS 98 HN LYS 98 24.058 7.684 -1.244 460 HA LYS 98 HA LYS 98 26.782 8.346 -0.984 461 HB2 LYS 98 HB2 LYS 98 25.087 7.792 -3.427 462 HB3 LYS 98 HB1 LYS 98 26.836 8.005 -3.489 463 HG2 LYS 98 HG2 LYS 98 27.126 6.139 -1.901 464 HG3 LYS 98 HG1 LYS 98 25.376 5.923 -1.835 465 HD2 LYS 98 HD2 LYS 98 25.347 5.464 -4.267 466 HD3 LYS 98 HD1 LYS 98 27.100 5.651 -4.316 467 HE2 LYS 98 HE2 LYS 98 25.622 3.605 -2.635 468 HE3 LYS 98 HE1 LYS 98 26.423 3.263 -4.169 469 HZ1 LYS 98 HZ1 LYS 98 28.459 4.299 -3.043 470 HZ2 LYS 98 HZ2 LYS 98 28.010 2.722 -2.596 471 HZ3 LYS 98 HZ3 LYS 98 27.625 4.036 -1.589 472 H ASN 99 HN ASN 99 24.060 10.074 -2.410 473 HA ASN 99 HA ASN 99 25.784 12.302 -3.214 474 HB2 ASN 99 HB2 ASN 99 22.803 11.880 -3.537 475 HB3 ASN 99 HB1 ASN 99 23.719 13.235 -4.195 476 HD21 ASN 99 HD21 ASN 99 25.879 12.255 -5.413 477 HD22 ASN 99 HD22 ASN 99 25.508 11.030 -6.528 478 H GLY 100 HN GLY 100 24.722 11.345 -0.396 479 HA2 GLY 100 HA2 GLY 100 24.402 12.386 1.633 480 HA3 GLY 100 HA1 GLY 100 24.869 13.887 0.842 481 H GLY 101 HN GLY 101 22.172 12.064 -0.407 482 HA2 GLY 101 HA2 GLY 101 20.393 14.243 -0.241 483 HA3 GLY 101 HA1 GLY 101 19.926 12.574 -0.546 484 H ALA 102 HN ALA 102 20.852 11.421 1.861 485 HA ALA 102 HA ALA 102 18.654 11.894 3.579 486 HB1 ALA 102 HB1 ALA 102 20.187 10.575 5.232 487 HB2 ALA 102 HB2 ALA 102 21.231 10.370 3.826 488 HB3 ALA 102 HB3 ALA 102 19.576 9.759 3.792 489 H ASN 103 HN ASN 103 22.007 12.980 3.612 490 HA ASN 103 HA ASN 103 22.049 14.198 6.137 491 HB2 ASN 103 HB2 ASN 103 24.013 13.704 4.598 492 HB3 ASN 103 HB1 ASN 103 23.577 15.172 3.725 493 HD21 ASN 103 HD21 ASN 103 25.507 16.331 4.399 494 HD22 ASN 103 HD22 ASN 103 25.727 16.830 6.006 495 H ARG 104 HN ARG 104 20.838 15.345 3.039 496 HA ARG 104 HA ARG 104 19.505 17.115 2.504 497 HB2 ARG 104 HB2 ARG 104 19.454 17.960 5.391 498 HB3 ARG 104 HB1 ARG 104 18.236 18.208 4.148 499 HG2 ARG 104 HG2 ARG 104 18.244 15.552 4.084 500 HG3 ARG 104 HG1 ARG 104 18.846 15.745 5.730 501 HD2 ARG 104 HD2 ARG 104 16.306 16.989 4.639 502 HD3 ARG 104 HD1 ARG 104 16.382 15.577 5.688 503 HE ARG 104 HE ARG 104 17.767 17.631 6.981 504 HH11 ARG 104 HH11 ARG 104 16.731 18.877 8.571 505 HH12 ARG 104 HH12 ARG 104 15.002 18.976 8.596 506 HH21 ARG 104 HH21 ARG 104 14.579 16.918 5.837 507 HH22 ARG 104 HH22 ARG 104 13.784 17.866 7.049 508 H LYS 105 HN LYS 105 22.400 17.437 4.291 509 HA LYS 105 HA LYS 105 22.667 20.284 3.579 510 HB2 LYS 105 HB2 LYS 105 24.555 18.586 5.224 511 HB3 LYS 105 HB1 LYS 105 24.546 20.340 5.090 512 HG2 LYS 105 HG2 LYS 105 22.255 18.718 6.241 513 HG3 LYS 105 HG1 LYS 105 23.512 19.476 7.215 514 HD2 LYS 105 HD2 LYS 105 22.874 21.687 6.161 515 HD3 LYS 105 HD1 LYS 105 21.493 20.867 5.433 516 HE2 LYS 105 HE2 LYS 105 20.695 20.195 7.661 517 HE3 LYS 105 HE1 LYS 105 22.070 21.012 8.402 518 HZ1 LYS 105 HZ1 LYS 105 20.691 22.752 8.477 519 HZ2 LYS 105 HZ2 LYS 105 19.642 22.118 7.300 520 HZ3 LYS 105 HZ3 LYS 105 21.056 22.936 6.831 521 H VAL 106 HN VAL 106 22.880 19.835 1.306 522 HA VAL 106 HA VAL 106 25.624 19.019 0.609 523 HB VAL 106 HB VAL 106 24.761 17.821 -1.373 524 HG11 VAL 106 HG11 VAL 106 25.211 16.631 0.784 525 HG12 VAL 106 HG12 VAL 106 23.957 15.852 -0.181 526 HG13 VAL 106 HG13 VAL 106 23.513 16.837 1.212 527 HG21 VAL 106 HG21 VAL 106 22.091 17.320 -0.678 528 HG22 VAL 106 HG22 VAL 106 22.655 18.315 -2.022 529 HG23 VAL 106 HG23 VAL 106 22.286 19.061 -0.466 530 H ASN 107 HN ASN 107 26.353 19.881 -1.446 531 HA ASN 107 HA ASN 107 25.412 22.574 -1.870 532 HB2 ASN 107 HB2 ASN 107 27.556 20.906 -3.195 533 HB3 ASN 107 HB1 ASN 107 27.197 22.569 -3.663 534 HD21 ASN 107 HD21 ASN 107 29.737 21.762 -2.515 535 HD22 ASN 107 HD22 ASN 107 29.885 22.533 -1.010 536 H ASP 108 HN ASP 108 24.390 23.404 -3.682 537 HA ASP 108 HA ASP 108 22.956 21.420 -5.305 538 HB2 ASP 108 HB2 ASP 108 21.459 23.241 -5.890 539 HB3 ASP 108 HB1 ASP 108 21.662 23.194 -4.139 Start of MODEL 10 1 HA THR 40 HA THR 40 -45.197 2.311 28.320 2 HB THR 40 HB THR 40 -46.552 -0.008 29.079 3 HG1 THR 40 HG1 THR 40 -48.379 2.044 28.376 4 HG21 THR 40 HG21 THR 40 -46.911 2.836 30.064 5 HG22 THR 40 HG22 THR 40 -45.628 1.733 30.561 6 HG23 THR 40 HG23 THR 40 -47.306 1.378 30.973 7 H LYS 41 HN LYS 41 -43.627 0.671 28.512 8 HA LYS 41 HA LYS 41 -42.323 -1.113 27.854 9 HB2 LYS 41 HB2 LYS 41 -44.762 -2.142 27.537 10 HB3 LYS 41 HB1 LYS 41 -44.314 -2.039 25.834 11 HG2 LYS 41 HG2 LYS 41 -43.466 -4.133 26.350 12 HG3 LYS 41 HG1 LYS 41 -42.057 -3.133 26.705 13 HD2 LYS 41 HD2 LYS 41 -42.733 -3.048 29.090 14 HD3 LYS 41 HD1 LYS 41 -44.115 -4.079 28.723 15 HE2 LYS 41 HE2 LYS 41 -42.369 -5.508 29.568 16 HE3 LYS 41 HE1 LYS 41 -42.481 -5.793 27.832 17 HZ1 LYS 41 HZ1 LYS 41 -40.443 -5.001 27.509 18 HZ2 LYS 41 HZ2 LYS 41 -40.225 -5.134 29.188 19 HZ3 LYS 41 HZ3 LYS 41 -40.700 -3.653 28.504 20 H GLN 42 HN GLN 42 -43.037 1.506 26.209 21 HA GLN 42 HA GLN 42 -42.311 0.971 23.525 22 HB2 GLN 42 HB2 GLN 42 -42.171 3.484 25.197 23 HB3 GLN 42 HB1 GLN 42 -41.784 3.445 23.476 24 HG2 GLN 42 HG2 GLN 42 -44.010 2.688 22.925 25 HG3 GLN 42 HG1 GLN 42 -44.411 2.472 24.627 26 HE21 GLN 42 HE21 GLN 42 -45.737 4.284 22.634 27 HE22 GLN 42 HE22 GLN 42 -45.607 5.844 23.288 28 H LYS 43 HN LYS 43 -40.423 1.865 26.383 29 HA LYS 43 HA LYS 43 -38.155 1.858 26.788 30 HB2 LYS 43 HB2 LYS 43 -38.014 -0.072 24.462 31 HB3 LYS 43 HB1 LYS 43 -36.861 0.089 25.783 32 HG2 LYS 43 HG2 LYS 43 -39.759 -0.728 26.140 33 HG3 LYS 43 HG1 LYS 43 -38.417 -1.865 26.043 34 HD2 LYS 43 HD2 LYS 43 -37.376 -0.620 28.006 35 HD3 LYS 43 HD1 LYS 43 -38.913 0.229 28.174 36 HE2 LYS 43 HE2 LYS 43 -38.880 -1.713 29.661 37 HE3 LYS 43 HE1 LYS 43 -40.079 -1.947 28.389 38 HZ1 LYS 43 HZ1 LYS 43 -37.412 -2.881 27.762 39 HZ2 LYS 43 HZ2 LYS 43 -38.918 -3.616 27.481 40 HZ3 LYS 43 HZ3 LYS 43 -38.187 -3.726 29.010 41 H GLU 44 HN GLU 44 -36.728 1.060 23.932 42 HA GLU 44 HA GLU 44 -36.013 3.843 23.426 43 HB2 GLU 44 HB2 GLU 44 -34.965 1.217 22.357 44 HB3 GLU 44 HB1 GLU 44 -34.389 2.788 21.800 45 HG2 GLU 44 HG2 GLU 44 -33.660 3.379 24.035 46 HG3 GLU 44 HG1 GLU 44 -34.386 1.918 24.701 47 H ALA 45 HN ALA 45 -37.564 4.878 22.297 48 HA ALA 45 HA ALA 45 -38.835 3.572 20.006 49 HB1 ALA 45 HB1 ALA 45 -40.494 5.164 20.165 50 HB2 ALA 45 HB2 ALA 45 -39.391 6.409 20.750 51 HB3 ALA 45 HB3 ALA 45 -39.944 5.140 21.841 52 H VAL 46 HN VAL 46 -36.027 5.190 20.531 53 HA VAL 46 HA VAL 46 -35.971 7.090 18.425 54 HB VAL 46 HB VAL 46 -33.522 7.008 18.720 55 HG11 VAL 46 HG11 VAL 46 -34.933 6.854 21.395 56 HG12 VAL 46 HG12 VAL 46 -35.065 8.240 20.312 57 HG13 VAL 46 HG13 VAL 46 -33.500 7.798 20.992 58 HG21 VAL 46 HG21 VAL 46 -34.219 4.399 19.842 59 HG22 VAL 46 HG22 VAL 46 -33.184 5.334 20.922 60 HG23 VAL 46 HG23 VAL 46 -32.658 4.990 19.273 61 H ASN 47 HN ASN 47 -35.839 3.660 18.428 62 HA ASN 47 HA ASN 47 -34.425 3.497 15.883 63 HB2 ASN 47 HB2 ASN 47 -35.746 1.358 17.569 64 HB3 ASN 47 HB1 ASN 47 -34.784 1.063 16.121 65 HD21 ASN 47 HD21 ASN 47 -34.356 0.522 19.189 66 HD22 ASN 47 HD22 ASN 47 -32.775 1.080 19.447 67 H ASP 48 HN ASP 48 -35.464 3.906 14.060 68 HA ASP 48 HA ASP 48 -38.370 3.616 13.912 69 HB2 ASP 48 HB2 ASP 48 -38.205 4.822 11.823 70 HB3 ASP 48 HB1 ASP 48 -37.243 5.660 13.038 71 H LYS 49 HN LYS 49 -39.062 2.882 11.546 72 HA LYS 49 HA LYS 49 -38.566 0.101 11.392 73 HB2 LYS 49 HB2 LYS 49 -39.809 2.043 9.444 74 HB3 LYS 49 HB1 LYS 49 -39.753 0.304 9.162 75 HG2 LYS 49 HG2 LYS 49 -40.896 -0.006 11.401 76 HG3 LYS 49 HG1 LYS 49 -41.117 1.741 11.458 77 HD2 LYS 49 HD2 LYS 49 -42.095 0.034 9.155 78 HD3 LYS 49 HD1 LYS 49 -43.095 0.416 10.555 79 HE2 LYS 49 HE2 LYS 49 -42.685 2.861 10.082 80 HE3 LYS 49 HE1 LYS 49 -41.893 2.380 8.582 81 HZ1 LYS 49 HZ1 LYS 49 -44.634 2.655 9.083 82 HZ2 LYS 49 HZ2 LYS 49 -44.320 1.022 8.736 83 HZ3 LYS 49 HZ3 LYS 49 -43.863 2.231 7.633 84 H GLY 50 HN GLY 50 -37.272 2.871 9.635 85 HA2 GLY 50 HA2 GLY 50 -35.120 2.997 8.678 86 HA3 GLY 50 HA1 GLY 50 -35.014 1.240 8.735 87 H LYS 51 HN LYS 51 -38.009 1.870 7.598 88 HA LYS 51 HA LYS 51 -37.487 0.986 4.979 89 HB2 LYS 51 HB2 LYS 51 -39.672 0.697 6.053 90 HB3 LYS 51 HB1 LYS 51 -39.900 2.440 6.096 91 HG2 LYS 51 HG2 LYS 51 -41.161 1.538 4.229 92 HG3 LYS 51 HG1 LYS 51 -39.814 2.462 3.584 93 HD2 LYS 51 HD2 LYS 51 -38.573 0.450 3.092 94 HD3 LYS 51 HD1 LYS 51 -39.733 -0.544 3.976 95 HE2 LYS 51 HE2 LYS 51 -41.482 0.071 2.345 96 HE3 LYS 51 HE1 LYS 51 -40.318 1.068 1.473 97 HZ1 LYS 51 HZ1 LYS 51 -40.749 -1.358 0.724 98 HZ2 LYS 51 HZ2 LYS 51 -39.701 -1.758 2.001 99 HZ3 LYS 51 HZ3 LYS 51 -39.164 -0.756 0.738 100 H ALA 52 HN ALA 52 -38.004 4.200 6.339 101 HA ALA 52 HA ALA 52 -38.082 5.663 3.940 102 HB1 ALA 52 HB1 ALA 52 -38.764 6.814 5.878 103 HB2 ALA 52 HB2 ALA 52 -37.220 7.556 5.461 104 HB3 ALA 52 HB3 ALA 52 -37.305 6.369 6.762 105 H ALA 53 HN ALA 53 -35.449 4.167 5.615 106 HA ALA 53 HA ALA 53 -33.283 5.719 4.792 107 HB1 ALA 53 HB1 ALA 53 -33.285 2.701 4.954 108 HB2 ALA 53 HB2 ALA 53 -33.224 3.748 6.372 109 HB3 ALA 53 HB3 ALA 53 -31.917 3.789 5.189 110 H VAL 54 HN VAL 54 -32.032 5.801 2.964 111 HA VAL 54 HA VAL 54 -33.312 5.054 0.498 112 HB VAL 54 HB VAL 54 -30.618 6.305 1.071 113 HG11 VAL 54 HG11 VAL 54 -30.837 6.972 -1.385 114 HG12 VAL 54 HG12 VAL 54 -32.107 5.753 -1.503 115 HG13 VAL 54 HG13 VAL 54 -30.464 5.278 -1.076 116 HG21 VAL 54 HG21 VAL 54 -31.683 8.382 0.580 117 HG22 VAL 54 HG22 VAL 54 -32.789 7.543 1.668 118 HG23 VAL 54 HG23 VAL 54 -33.116 7.579 -0.064 119 H VAL 55 HN VAL 55 -33.043 3.262 -0.638 120 HA VAL 55 HA VAL 55 -31.448 1.099 0.269 121 HB VAL 55 HB VAL 55 -33.566 0.911 -1.074 122 HG11 VAL 55 HG11 VAL 55 -32.566 2.717 -2.732 123 HG12 VAL 55 HG12 VAL 55 -33.636 1.450 -3.331 124 HG13 VAL 55 HG13 VAL 55 -31.890 1.296 -3.529 125 HG21 VAL 55 HG21 VAL 55 -32.797 -1.043 -2.329 126 HG22 VAL 55 HG22 VAL 55 -31.949 -0.972 -0.786 127 HG23 VAL 55 HG23 VAL 55 -31.134 -0.461 -2.263 128 H LYS 56 HN LYS 56 -30.832 3.733 -1.912 129 HA LYS 56 HA LYS 56 -28.803 2.671 -3.509 130 HB2 LYS 56 HB2 LYS 56 -29.949 5.028 -3.532 131 HB3 LYS 56 HB1 LYS 56 -28.616 5.480 -2.471 132 HG2 LYS 56 HG2 LYS 56 -27.631 5.917 -4.513 133 HG3 LYS 56 HG1 LYS 56 -27.181 4.221 -4.330 134 HD2 LYS 56 HD2 LYS 56 -29.194 3.565 -5.631 135 HD3 LYS 56 HD1 LYS 56 -29.582 5.269 -5.858 136 HE2 LYS 56 HE2 LYS 56 -27.050 3.892 -6.798 137 HE3 LYS 56 HE1 LYS 56 -28.394 4.387 -7.823 138 HZ1 LYS 56 HZ1 LYS 56 -28.017 6.687 -7.027 139 HZ2 LYS 56 HZ2 LYS 56 -26.719 6.056 -7.924 140 HZ3 LYS 56 HZ3 LYS 56 -26.619 6.151 -6.232 141 H VAL 57 HN VAL 57 -28.776 3.652 -0.167 142 HA VAL 57 HA VAL 57 -26.119 4.125 0.366 143 HB VAL 57 HB VAL 57 -28.002 4.163 2.028 144 HG11 VAL 57 HG11 VAL 57 -28.557 1.666 1.222 145 HG12 VAL 57 HG12 VAL 57 -28.957 2.230 2.846 146 HG13 VAL 57 HG13 VAL 57 -27.499 1.273 2.580 147 HG21 VAL 57 HG21 VAL 57 -25.615 2.486 2.863 148 HG22 VAL 57 HG22 VAL 57 -26.598 3.510 3.907 149 HG23 VAL 57 HG23 VAL 57 -25.575 4.239 2.669 150 H VAL 58 HN VAL 58 -27.557 1.223 -0.759 151 HA VAL 58 HA VAL 58 -25.851 -0.753 0.214 152 HB VAL 58 HB VAL 58 -26.443 -2.018 -1.830 153 HG11 VAL 58 HG11 VAL 58 -28.371 -0.649 -0.058 154 HG12 VAL 58 HG12 VAL 58 -28.195 -2.367 -0.419 155 HG13 VAL 58 HG13 VAL 58 -29.070 -1.318 -1.535 156 HG21 VAL 58 HG21 VAL 58 -28.082 -0.805 -3.389 157 HG22 VAL 58 HG22 VAL 58 -26.384 -0.352 -3.536 158 HG23 VAL 58 HG23 VAL 58 -27.503 0.692 -2.659 159 H GLU 59 HN GLU 59 -25.175 1.835 -1.934 160 HA GLU 59 HA GLU 59 -23.125 0.739 -3.511 161 HB2 GLU 59 HB2 GLU 59 -23.578 3.547 -2.493 162 HB3 GLU 59 HB1 GLU 59 -22.287 3.127 -3.620 163 HG2 GLU 59 HG2 GLU 59 -23.879 2.343 -5.258 164 HG3 GLU 59 HG1 GLU 59 -25.209 2.512 -4.116 165 H SER 60 HN SER 60 -23.034 2.157 -0.246 166 HA SER 60 HA SER 60 -20.225 2.160 0.055 167 HB2 SER 60 HB2 SER 60 -21.723 3.375 1.579 168 HB3 SER 60 HB1 SER 60 -22.393 1.850 2.149 169 HG SER 60 HG SER 60 -19.977 1.409 2.522 170 H GLN 61 HN GLN 61 -22.704 -0.259 0.728 171 HA GLN 61 HA GLN 61 -21.073 -2.176 1.987 172 HB2 GLN 61 HB2 GLN 61 -23.614 -2.464 0.367 173 HB3 GLN 61 HB1 GLN 61 -22.869 -3.792 1.255 174 HG2 GLN 61 HG2 GLN 61 -23.769 -1.172 2.490 175 HG3 GLN 61 HG1 GLN 61 -24.678 -2.679 2.555 176 HE21 GLN 61 HE21 GLN 61 -22.945 -0.887 4.579 177 HE22 GLN 61 HE22 GLN 61 -22.113 -2.078 5.457 178 H ALA 62 HN ALA 62 -21.763 -1.537 -1.416 179 HA ALA 62 HA ALA 62 -20.623 -3.879 -2.498 180 HB1 ALA 62 HB1 ALA 62 -21.575 -1.316 -3.476 181 HB2 ALA 62 HB2 ALA 62 -21.546 -2.882 -4.287 182 HB3 ALA 62 HB3 ALA 62 -20.127 -1.837 -4.337 183 H GLU 63 HN GLU 63 -19.230 -0.758 -1.593 184 HA GLU 63 HA GLU 63 -16.649 -1.156 -2.658 185 HB2 GLU 63 HB2 GLU 63 -17.635 0.505 -0.334 186 HB3 GLU 63 HB1 GLU 63 -15.969 0.546 -0.914 187 HG2 GLU 63 HG2 GLU 63 -16.688 1.276 -3.110 188 HG3 GLU 63 HG1 GLU 63 -18.382 1.072 -2.669 189 H LEU 64 HN LEU 64 -18.087 -2.021 0.453 190 HA LEU 64 HA LEU 64 -15.757 -2.860 1.772 191 HB2 LEU 64 HB2 LEU 64 -17.924 -2.511 2.905 192 HB3 LEU 64 HB1 LEU 64 -18.592 -3.897 2.048 193 HG LEU 64 HG LEU 64 -16.917 -5.369 3.125 194 HD11 LEU 64 HD11 LEU 64 -15.021 -4.160 3.639 195 HD12 LEU 64 HD12 LEU 64 -15.820 -4.100 5.211 196 HD13 LEU 64 HD13 LEU 64 -15.935 -2.726 4.110 197 HD21 LEU 64 HD21 LEU 64 -19.156 -4.843 4.182 198 HD22 LEU 64 HD22 LEU 64 -18.328 -3.649 5.181 199 HD23 LEU 64 HD23 LEU 64 -17.912 -5.358 5.323 200 H TYR 65 HN TYR 65 -17.994 -4.568 -0.370 201 HA TYR 65 HA TYR 65 -16.970 -7.162 -0.100 202 HB2 TYR 65 HB2 TYR 65 -19.070 -6.727 -1.248 203 HB3 TYR 65 HB1 TYR 65 -18.230 -5.812 -2.499 204 HD1 TYR 65 HD1 TYR 65 -18.476 -9.194 -0.938 205 HD2 TYR 65 HD2 TYR 65 -17.269 -6.903 -4.365 206 HE1 TYR 65 HE1 TYR 65 -18.070 -11.291 -2.198 207 HE2 TYR 65 HE2 TYR 65 -16.862 -8.999 -5.624 208 HH TYR 65 HH TYR 65 -17.415 -12.186 -4.113 209 H SER 66 HN SER 66 -16.097 -4.588 -2.403 210 HA SER 66 HA SER 66 -14.145 -6.033 -3.822 211 HB2 SER 66 HB2 SER 66 -14.409 -3.066 -3.307 212 HB3 SER 66 HB1 SER 66 -13.265 -3.772 -4.445 213 HG SER 66 HG SER 66 -15.265 -4.865 -5.293 214 H LEU 67 HN LEU 67 -13.937 -4.071 -0.883 215 HA LEU 67 HA LEU 67 -11.131 -4.055 -0.626 216 HB2 LEU 67 HB2 LEU 67 -13.338 -3.875 1.429 217 HB3 LEU 67 HB1 LEU 67 -11.636 -3.669 1.830 218 HG LEU 67 HG LEU 67 -13.092 -2.045 -0.280 219 HD11 LEU 67 HD11 LEU 67 -14.040 -0.970 1.463 220 HD12 LEU 67 HD12 LEU 67 -12.425 -0.362 1.826 221 HD13 LEU 67 HD13 LEU 67 -13.021 -1.813 2.631 222 HD21 LEU 67 HD21 LEU 67 -10.914 -0.605 0.628 223 HD22 LEU 67 HD22 LEU 67 -10.952 -1.554 -0.856 224 HD23 LEU 67 HD23 LEU 67 -10.295 -2.254 0.621 225 H GLU 68 HN GLU 68 -13.583 -6.366 0.443 226 HA GLU 68 HA GLU 68 -11.923 -7.990 2.038 227 HB2 GLU 68 HB2 GLU 68 -14.419 -8.631 0.458 228 HB3 GLU 68 HB1 GLU 68 -13.643 -9.771 1.557 229 HG2 GLU 68 HG2 GLU 68 -14.525 -6.998 2.391 230 HG3 GLU 68 HG1 GLU 68 -15.529 -8.434 2.587 231 H LYS 69 HN LYS 69 -12.585 -7.997 -1.437 232 HA LYS 69 HA LYS 69 -10.868 -10.328 -1.828 233 HB2 LYS 69 HB2 LYS 69 -12.396 -8.635 -3.820 234 HB3 LYS 69 HB1 LYS 69 -11.524 -10.119 -4.199 235 HG2 LYS 69 HG2 LYS 69 -13.634 -10.119 -2.053 236 HG3 LYS 69 HG1 LYS 69 -14.102 -10.238 -3.747 237 HD2 LYS 69 HD2 LYS 69 -12.568 -12.198 -3.994 238 HD3 LYS 69 HD1 LYS 69 -12.235 -12.118 -2.265 239 HE2 LYS 69 HE2 LYS 69 -13.983 -13.771 -2.674 240 HE3 LYS 69 HE1 LYS 69 -14.665 -12.393 -1.809 241 HZ1 LYS 69 HZ1 LYS 69 -15.545 -11.530 -3.835 242 HZ2 LYS 69 HZ2 LYS 69 -16.023 -13.155 -3.713 243 HZ3 LYS 69 HZ3 LYS 69 -14.756 -12.714 -4.758 244 H ASN 70 HN ASN 70 -10.383 -7.111 -1.375 245 HA ASN 70 HA ASN 70 -8.687 -5.637 -1.875 246 HB2 ASN 70 HB2 ASN 70 -7.501 -7.632 -0.801 247 HB3 ASN 70 HB1 ASN 70 -7.032 -8.094 -2.436 248 HD21 ASN 70 HD21 ASN 70 -4.772 -7.600 -2.217 249 HD22 ASN 70 HD22 ASN 70 -4.205 -6.018 -1.981 250 H GLU 71 HN GLU 71 -10.347 -5.871 -4.029 251 HA GLU 71 HA GLU 71 -9.145 -6.701 -6.440 252 HB2 GLU 71 HB2 GLU 71 -11.259 -4.617 -5.863 253 HB3 GLU 71 HB1 GLU 71 -10.778 -5.080 -7.497 254 HG2 GLU 71 HG2 GLU 71 -11.435 -7.378 -7.106 255 HG3 GLU 71 HG1 GLU 71 -11.746 -7.042 -5.403 256 H ASP 72 HN ASP 72 -9.111 -3.588 -4.743 257 HA ASP 72 HA ASP 72 -7.005 -2.663 -6.610 258 HB2 ASP 72 HB2 ASP 72 -9.065 -1.327 -6.762 259 HB3 ASP 72 HB1 ASP 72 -8.988 -1.010 -5.030 260 H ALA 73 HN ALA 73 -5.112 -3.042 -5.599 261 HA ALA 73 HA ALA 73 -4.863 -2.218 -2.765 262 HB1 ALA 73 HB1 ALA 73 -3.153 -3.869 -2.494 263 HB2 ALA 73 HB2 ALA 73 -3.091 -4.180 -4.228 264 HB3 ALA 73 HB3 ALA 73 -4.507 -4.666 -3.295 265 H SER 74 HN SER 74 -3.706 -0.449 -2.435 266 HA SER 74 HA SER 74 -2.206 0.802 -4.537 267 HB2 SER 74 HB2 SER 74 -1.786 2.557 -2.943 268 HB3 SER 74 HB1 SER 74 -3.457 2.038 -2.748 269 HG SER 74 HG SER 74 -1.219 1.590 -1.112 270 H LEU 75 HN LEU 75 0.064 1.647 -4.013 271 HA LEU 75 HA LEU 75 1.851 -0.531 -3.881 272 HB2 LEU 75 HB2 LEU 75 2.462 1.626 -4.911 273 HB3 LEU 75 HB1 LEU 75 2.387 2.407 -3.333 274 HG LEU 75 HG LEU 75 4.209 0.940 -2.521 275 HD11 LEU 75 HD11 LEU 75 4.127 -1.056 -3.708 276 HD12 LEU 75 HD12 LEU 75 5.446 -0.241 -4.546 277 HD13 LEU 75 HD13 LEU 75 3.827 -0.250 -5.247 278 HD21 LEU 75 HD21 LEU 75 4.606 3.155 -3.748 279 HD22 LEU 75 HD22 LEU 75 5.030 2.179 -5.156 280 HD23 LEU 75 HD23 LEU 75 5.978 2.049 -3.674 281 H ARG 76 HN ARG 76 1.000 1.924 -1.479 282 HA ARG 76 HA ARG 76 2.570 1.010 0.627 283 HB2 ARG 76 HB2 ARG 76 -0.148 2.340 0.664 284 HB3 ARG 76 HB1 ARG 76 0.815 2.061 2.114 285 HG2 ARG 76 HG2 ARG 76 2.640 3.403 1.215 286 HG3 ARG 76 HG1 ARG 76 1.779 3.603 -0.311 287 HD2 ARG 76 HD2 ARG 76 1.491 5.597 1.092 288 HD3 ARG 76 HD1 ARG 76 -0.049 4.770 0.879 289 HE ARG 76 HE ARG 76 -0.037 4.245 3.152 290 HH11 ARG 76 HH11 ARG 76 0.799 4.448 5.254 291 HH12 ARG 76 HH12 ARG 76 2.405 5.048 5.487 292 HH21 ARG 76 HH21 ARG 76 3.024 5.469 2.101 293 HH22 ARG 76 HH22 ARG 76 3.667 5.627 3.702 294 H LYS 77 HN LYS 77 -0.677 -0.059 -0.393 295 HA LYS 77 HA LYS 77 -1.101 -1.865 1.767 296 HB2 LYS 77 HB2 LYS 77 -2.125 -1.927 -1.091 297 HB3 LYS 77 HB1 LYS 77 -2.744 -2.928 0.223 298 HG2 LYS 77 HG2 LYS 77 -2.639 0.054 0.568 299 HG3 LYS 77 HG1 LYS 77 -3.945 -0.659 -0.376 300 HD2 LYS 77 HD2 LYS 77 -4.499 -2.134 1.541 301 HD3 LYS 77 HD1 LYS 77 -3.239 -1.349 2.492 302 HE2 LYS 77 HE2 LYS 77 -4.378 0.818 2.234 303 HE3 LYS 77 HE1 LYS 77 -5.636 0.046 1.267 304 HZ1 LYS 77 HZ1 LYS 77 -6.572 -0.897 3.066 305 HZ2 LYS 77 HZ2 LYS 77 -5.816 0.380 3.890 306 HZ3 LYS 77 HZ3 LYS 77 -5.094 -1.156 3.856 307 H LEU 78 HN LEU 78 -0.017 -2.354 -1.553 308 HA LEU 78 HA LEU 78 0.533 -4.984 -1.711 309 HB2 LEU 78 HB2 LEU 78 1.843 -2.614 -2.850 310 HB3 LEU 78 HB1 LEU 78 2.879 -4.034 -2.788 311 HG LEU 78 HG LEU 78 1.055 -5.341 -3.922 312 HD11 LEU 78 HD11 LEU 78 -0.777 -3.738 -3.190 313 HD12 LEU 78 HD12 LEU 78 -0.825 -4.188 -4.894 314 HD13 LEU 78 HD13 LEU 78 -0.182 -2.617 -4.414 315 HD21 LEU 78 HD21 LEU 78 2.587 -3.092 -5.077 316 HD22 LEU 78 HD22 LEU 78 1.258 -3.675 -6.079 317 HD23 LEU 78 HD23 LEU 78 2.530 -4.785 -5.568 318 H GLN 79 HN GLN 79 3.091 -2.742 -0.549 319 HA GLN 79 HA GLN 79 4.762 -4.736 0.469 320 HB2 GLN 79 HB2 GLN 79 5.426 -2.364 0.135 321 HB3 GLN 79 HB1 GLN 79 4.432 -1.914 1.520 322 HG2 GLN 79 HG2 GLN 79 6.542 -4.047 1.795 323 HG3 GLN 79 HG1 GLN 79 6.979 -2.343 1.895 324 HE21 GLN 79 HE21 GLN 79 6.915 -4.463 4.076 325 HE22 GLN 79 HE22 GLN 79 5.916 -3.806 5.281 326 H ALA 80 HN ALA 80 2.086 -2.995 1.979 327 HA ALA 80 HA ALA 80 2.412 -3.939 4.611 328 HB1 ALA 80 HB1 ALA 80 0.250 -3.127 5.022 329 HB2 ALA 80 HB2 ALA 80 -0.291 -3.467 3.378 330 HB3 ALA 80 HB3 ALA 80 0.806 -2.121 3.685 331 H ASP 81 HN ASP 81 0.913 -5.327 1.762 332 HA ASP 81 HA ASP 81 -0.085 -7.648 3.233 333 HB2 ASP 81 HB2 ASP 81 -1.338 -6.552 1.320 334 HB3 ASP 81 HB1 ASP 81 -0.102 -7.195 0.248 335 H GLY 82 HN GLY 82 2.845 -6.712 2.267 336 HA2 GLY 82 HA2 GLY 82 4.848 -7.863 2.074 337 HA3 GLY 82 HA1 GLY 82 3.952 -9.357 2.323 338 H ARG 83 HN ARG 83 2.763 -7.355 -0.179 339 HA ARG 83 HA ARG 83 3.165 -9.302 -2.182 340 HB2 ARG 83 HB2 ARG 83 2.373 -6.396 -2.300 341 HB3 ARG 83 HB1 ARG 83 2.490 -7.401 -3.744 342 HG2 ARG 83 HG2 ARG 83 0.926 -8.449 -1.419 343 HG3 ARG 83 HG1 ARG 83 0.197 -7.186 -2.410 344 HD2 ARG 83 HD2 ARG 83 1.349 -9.758 -3.526 345 HD3 ARG 83 HD1 ARG 83 -0.358 -9.513 -3.171 346 HE ARG 83 HE ARG 83 0.417 -7.402 -4.812 347 HH11 ARG 83 HH11 ARG 83 0.068 -7.500 -7.055 348 HH12 ARG 83 HH12 ARG 83 -0.112 -9.038 -7.830 349 HH21 ARG 83 HH21 ARG 83 0.266 -10.859 -4.903 350 HH22 ARG 83 HH22 ARG 83 -0.001 -10.938 -6.613 351 H ILE 84 HN ILE 84 5.072 -6.525 -1.196 352 HA ILE 84 HA ILE 84 7.078 -7.268 -3.240 353 HB ILE 84 HB ILE 84 7.708 -4.882 -3.378 354 HG12 ILE 84 HG12 ILE 84 5.164 -4.365 -1.809 355 HG13 ILE 84 HG11 ILE 84 6.768 -4.301 -1.083 356 HG21 ILE 84 HG21 ILE 84 5.623 -4.161 -4.593 357 HG22 ILE 84 HG22 ILE 84 4.825 -5.602 -3.961 358 HG23 ILE 84 HG23 ILE 84 6.203 -5.763 -5.049 359 HD11 ILE 84 HD11 ILE 84 7.299 -2.332 -2.104 360 HD12 ILE 84 HD12 ILE 84 5.548 -2.149 -2.202 361 HD13 ILE 84 HD13 ILE 84 6.450 -2.755 -3.590 362 H THR 85 HN THR 85 9.292 -6.729 -2.683 363 HA THR 85 HA THR 85 9.926 -7.540 -0.028 364 HB THR 85 HB THR 85 11.351 -8.061 -1.991 365 HG1 THR 85 HG1 THR 85 12.858 -6.418 -0.288 366 HG21 THR 85 HG21 THR 85 12.648 -6.373 -3.074 367 HG22 THR 85 HG22 THR 85 12.194 -5.161 -1.876 368 HG23 THR 85 HG23 THR 85 10.995 -5.758 -3.022 369 H GLU 86 HN GLU 86 10.895 -6.372 1.640 370 HA GLU 86 HA GLU 86 10.214 -3.530 1.667 371 HB2 GLU 86 HB2 GLU 86 11.196 -5.406 3.828 372 HB3 GLU 86 HB1 GLU 86 10.830 -3.700 4.084 373 HG2 GLU 86 HG2 GLU 86 8.516 -4.067 3.351 374 HG3 GLU 86 HG1 GLU 86 8.870 -5.768 3.045 375 H GLU 87 HN GLU 87 12.949 -5.555 1.228 376 HA GLU 87 HA GLU 87 15.003 -3.940 2.241 377 HB2 GLU 87 HB2 GLU 87 15.287 -6.297 1.569 378 HB3 GLU 87 HB1 GLU 87 15.061 -5.836 -0.119 379 HG2 GLU 87 HG2 GLU 87 17.026 -4.402 -0.023 380 HG3 GLU 87 HG1 GLU 87 17.229 -4.751 1.690 381 H GLN 88 HN GLN 88 13.465 -4.026 -0.962 382 HA GLN 88 HA GLN 88 15.171 -2.150 -2.201 383 HB2 GLN 88 HB2 GLN 88 12.329 -2.990 -2.763 384 HB3 GLN 88 HB1 GLN 88 13.239 -1.892 -3.800 385 HG2 GLN 88 HG2 GLN 88 14.939 -3.555 -4.190 386 HG3 GLN 88 HG1 GLN 88 14.220 -4.631 -2.994 387 HE21 GLN 88 HE21 GLN 88 14.641 -5.153 -5.916 388 HE22 GLN 88 HE22 GLN 88 13.100 -5.485 -6.544 389 H ALA 89 HN ALA 89 12.174 -1.780 -0.375 390 HA ALA 89 HA ALA 89 11.709 0.938 -0.905 391 HB1 ALA 89 HB1 ALA 89 10.429 -1.005 0.533 392 HB2 ALA 89 HB2 ALA 89 9.999 0.704 0.555 393 HB3 ALA 89 HB3 ALA 89 11.039 0.040 1.815 394 H LYS 90 HN LYS 90 13.737 -0.660 1.516 395 HA LYS 90 HA LYS 90 14.467 1.867 2.766 396 HB2 LYS 90 HB2 LYS 90 15.674 -0.881 3.162 397 HB3 LYS 90 HB1 LYS 90 15.869 0.516 4.216 398 HG2 LYS 90 HG2 LYS 90 13.251 -0.908 3.650 399 HG3 LYS 90 HG1 LYS 90 14.199 -1.063 5.124 400 HD2 LYS 90 HD2 LYS 90 13.942 1.464 5.398 401 HD3 LYS 90 HD1 LYS 90 12.741 1.386 4.108 402 HE2 LYS 90 HE2 LYS 90 12.616 -0.226 6.665 403 HE3 LYS 90 HE1 LYS 90 11.697 1.244 6.348 404 HZ1 LYS 90 HZ1 LYS 90 11.568 -0.987 4.440 405 HZ2 LYS 90 HZ2 LYS 90 10.418 0.219 4.765 406 HZ3 LYS 90 HZ3 LYS 90 10.647 -1.056 5.863 407 H ALA 91 HN ALA 91 15.698 -0.311 0.356 408 HA ALA 91 HA ALA 91 18.383 0.399 0.308 409 HB1 ALA 91 HB1 ALA 91 17.401 -1.480 -0.964 410 HB2 ALA 91 HB2 ALA 91 18.404 -0.443 -1.977 411 HB3 ALA 91 HB3 ALA 91 16.647 -0.323 -2.061 412 H TYR 92 HN TYR 92 15.619 2.021 -1.291 413 HA TYR 92 HA TYR 92 17.101 3.779 -2.874 414 HB2 TYR 92 HB2 TYR 92 14.693 3.498 -3.139 415 HB3 TYR 92 HB1 TYR 92 14.417 4.185 -1.538 416 HD1 TYR 92 HD1 TYR 92 15.863 4.944 -4.893 417 HD2 TYR 92 HD2 TYR 92 14.285 6.528 -1.225 418 HE1 TYR 92 HE1 TYR 92 15.886 7.223 -5.869 419 HE2 TYR 92 HE2 TYR 92 14.308 8.809 -2.201 420 HH TYR 92 HH TYR 92 15.155 10.064 -3.920 421 H LYS 93 HN LYS 93 15.905 4.162 0.465 422 HA LYS 93 HA LYS 93 16.762 6.796 0.869 423 HB2 LYS 93 HB2 LYS 93 15.273 5.591 2.418 424 HB3 LYS 93 HB1 LYS 93 16.607 4.538 2.883 425 HG2 LYS 93 HG2 LYS 93 17.860 6.479 3.740 426 HG3 LYS 93 HG1 LYS 93 16.548 7.550 3.246 427 HD2 LYS 93 HD2 LYS 93 15.005 6.365 4.759 428 HD3 LYS 93 HD1 LYS 93 16.310 5.284 5.249 429 HE2 LYS 93 HE2 LYS 93 17.585 7.209 6.114 430 HE3 LYS 93 HE1 LYS 93 16.287 8.296 5.618 431 HZ1 LYS 93 HZ1 LYS 93 16.495 7.015 8.022 432 HZ2 LYS 93 HZ2 LYS 93 15.324 6.113 7.185 433 HZ3 LYS 93 HZ3 LYS 93 15.111 7.782 7.414 434 H GLU 94 HN GLU 94 18.492 3.722 1.553 435 HA GLU 94 HA GLU 94 20.806 4.846 2.602 436 HB2 GLU 94 HB2 GLU 94 20.247 2.444 2.712 437 HB3 GLU 94 HB1 GLU 94 20.523 2.306 0.977 438 HG2 GLU 94 HG2 GLU 94 22.508 1.557 2.200 439 HG3 GLU 94 HG1 GLU 94 22.881 3.032 1.314 440 H TYR 95 HN TYR 95 19.898 4.274 -0.784 441 HA TYR 95 HA TYR 95 22.410 4.738 -1.943 442 HB2 TYR 95 HB2 TYR 95 20.527 3.882 -3.245 443 HB3 TYR 95 HB1 TYR 95 19.658 5.400 -3.019 444 HD1 TYR 95 HD1 TYR 95 22.790 3.947 -4.435 445 HD2 TYR 95 HD2 TYR 95 20.034 7.241 -4.456 446 HE1 TYR 95 HE1 TYR 95 23.946 4.901 -6.411 447 HE2 TYR 95 HE2 TYR 95 21.190 8.197 -6.431 448 HH TYR 95 HH TYR 95 24.137 6.706 -7.734 449 H ASN 96 HN ASN 96 19.766 7.028 -1.231 450 HA ASN 96 HA ASN 96 21.131 9.346 -2.108 451 HB2 ASN 96 HB2 ASN 96 18.856 8.931 -0.167 452 HB3 ASN 96 HB1 ASN 96 19.463 10.530 -0.596 453 HD21 ASN 96 HD21 ASN 96 17.429 7.924 -1.641 454 HD22 ASN 96 HD22 ASN 96 17.045 8.559 -3.166 455 H ASP 97 HN ASP 97 20.935 7.707 0.991 456 HA ASP 97 HA ASP 97 22.000 9.489 2.754 457 HB2 ASP 97 HB2 ASP 97 21.397 7.086 3.243 458 HB3 ASP 97 HB1 ASP 97 22.979 6.635 2.612 459 H LYS 98 HN LYS 98 23.678 7.953 0.092 460 HA LYS 98 HA LYS 98 26.332 8.396 0.867 461 HB2 LYS 98 HB2 LYS 98 25.645 7.001 -1.038 462 HB3 LYS 98 HB1 LYS 98 25.093 8.444 -1.887 463 HG2 LYS 98 HG2 LYS 98 27.321 9.337 -1.988 464 HG3 LYS 98 HG1 LYS 98 27.930 8.086 -0.904 465 HD2 LYS 98 HD2 LYS 98 28.550 7.412 -3.099 466 HD3 LYS 98 HD1 LYS 98 27.199 6.387 -2.657 467 HE2 LYS 98 HE2 LYS 98 25.671 7.726 -3.974 468 HE3 LYS 98 HE1 LYS 98 26.918 8.936 -4.274 469 HZ1 LYS 98 HZ1 LYS 98 26.899 6.122 -5.215 470 HZ2 LYS 98 HZ2 LYS 98 28.207 7.188 -5.409 471 HZ3 LYS 98 HZ3 LYS 98 26.723 7.513 -6.169 472 H ASN 99 HN ASN 99 24.075 10.436 -0.975 473 HA ASN 99 HA ASN 99 25.994 12.657 -0.895 474 HB2 ASN 99 HB2 ASN 99 24.470 13.820 -2.394 475 HB3 ASN 99 HB1 ASN 99 24.798 12.204 -3.015 476 HD21 ASN 99 HD21 ASN 99 22.289 14.367 -2.313 477 HD22 ASN 99 HD22 ASN 99 21.010 13.253 -2.270 478 H GLY 100 HN GLY 100 23.945 11.411 1.224 479 HA2 GLY 100 HA2 GLY 100 22.811 13.971 2.151 480 HA3 GLY 100 HA1 GLY 100 22.287 12.371 2.671 481 H GLY 101 HN GLY 101 25.625 12.489 2.450 482 HA2 GLY 101 HA2 GLY 101 25.891 12.490 5.352 483 HA3 GLY 101 HA1 GLY 101 27.133 12.047 4.187 484 H ALA 102 HN ALA 102 25.742 14.905 3.193 485 HA ALA 102 HA ALA 102 28.063 16.440 3.602 486 HB1 ALA 102 HB1 ALA 102 25.501 17.904 3.366 487 HB2 ALA 102 HB2 ALA 102 25.844 16.745 2.083 488 HB3 ALA 102 HB3 ALA 102 26.979 18.053 2.416 489 H ASN 103 HN ASN 103 25.037 16.232 5.437 490 HA ASN 103 HA ASN 103 26.396 17.309 7.778 491 HB2 ASN 103 HB2 ASN 103 25.255 19.186 6.299 492 HB3 ASN 103 HB1 ASN 103 23.794 18.609 7.098 493 HD21 ASN 103 HD21 ASN 103 24.645 21.206 7.685 494 HD22 ASN 103 HD22 ASN 103 25.276 21.262 9.260 495 H ARG 104 HN ARG 104 24.747 17.387 9.668 496 HA ARG 104 HA ARG 104 23.043 14.977 9.489 497 HB2 ARG 104 HB2 ARG 104 25.089 14.859 10.994 498 HB3 ARG 104 HB1 ARG 104 24.319 16.080 11.994 499 HG2 ARG 104 HG2 ARG 104 23.758 13.985 12.977 500 HG3 ARG 104 HG1 ARG 104 22.309 14.540 12.147 501 HD2 ARG 104 HD2 ARG 104 22.549 12.967 10.415 502 HD3 ARG 104 HD1 ARG 104 24.264 12.722 10.743 503 HE ARG 104 HE ARG 104 22.875 11.941 13.022 504 HH11 ARG 104 HH11 ARG 104 22.392 9.743 13.367 505 HH12 ARG 104 HH12 ARG 104 22.339 8.652 12.023 506 HH21 ARG 104 HH21 ARG 104 23.113 11.086 9.677 507 HH22 ARG 104 HH22 ARG 104 22.746 9.412 9.934 508 H LYS 105 HN LYS 105 21.546 16.789 8.646 509 HA LYS 105 HA LYS 105 20.356 18.383 10.790 510 HB2 LYS 105 HB2 LYS 105 19.801 18.266 7.817 511 HB3 LYS 105 HB1 LYS 105 18.992 19.351 8.948 512 HG2 LYS 105 HG2 LYS 105 21.168 20.333 9.572 513 HG3 LYS 105 HG1 LYS 105 21.979 19.254 8.436 514 HD2 LYS 105 HD2 LYS 105 20.695 20.247 6.575 515 HD3 LYS 105 HD1 LYS 105 19.892 21.333 7.711 516 HE2 LYS 105 HE2 LYS 105 22.073 22.300 8.333 517 HE3 LYS 105 HE1 LYS 105 22.879 21.215 7.202 518 HZ1 LYS 105 HZ1 LYS 105 20.763 23.129 6.395 519 HZ2 LYS 105 HZ2 LYS 105 21.795 22.236 5.383 520 HZ3 LYS 105 HZ3 LYS 105 22.418 23.495 6.337 521 H VAL 106 HN VAL 106 20.093 15.295 9.836 522 HA VAL 106 HA VAL 106 17.339 14.848 9.451 523 HB VAL 106 HB VAL 106 19.514 13.090 10.598 524 HG11 VAL 106 HG11 VAL 106 16.592 12.579 10.071 525 HG12 VAL 106 HG12 VAL 106 17.561 12.113 11.469 526 HG13 VAL 106 HG13 VAL 106 17.767 11.272 9.933 527 HG21 VAL 106 HG21 VAL 106 18.087 12.930 7.934 528 HG22 VAL 106 HG22 VAL 106 19.587 12.133 8.410 529 HG23 VAL 106 HG23 VAL 106 19.556 13.880 8.159 530 H ASN 107 HN ASN 107 19.310 14.940 12.405 531 HA ASN 107 HA ASN 107 16.890 15.449 13.962 532 HB2 ASN 107 HB2 ASN 107 17.503 13.752 15.617 533 HB3 ASN 107 HB1 ASN 107 17.202 13.014 14.048 534 HD21 ASN 107 HD21 ASN 107 18.629 11.204 14.901 535 HD22 ASN 107 HD22 ASN 107 20.313 11.387 14.795 536 H ASP 108 HN ASP 108 17.654 15.755 16.382 537 HA ASP 108 HA ASP 108 18.729 17.197 17.815 538 HB2 ASP 108 HB2 ASP 108 20.477 15.659 17.981 539 HB3 ASP 108 HB1 ASP 108 20.961 15.880 16.300 Start of MODEL 11 1 HA THR 40 HA THR 40 -34.177 -20.386 13.440 2 HB THR 40 HB THR 40 -36.715 -19.296 14.252 3 HG1 THR 40 HG1 THR 40 -35.975 -21.777 15.284 4 HG21 THR 40 HG21 THR 40 -36.073 -20.059 11.983 5 HG22 THR 40 HG22 THR 40 -37.537 -20.862 12.551 6 HG23 THR 40 HG23 THR 40 -35.995 -21.717 12.577 7 H LYS 41 HN LYS 41 -32.881 -18.649 13.246 8 HA LYS 41 HA LYS 41 -33.875 -16.074 14.140 9 HB2 LYS 41 HB2 LYS 41 -31.844 -15.445 15.343 10 HB3 LYS 41 HB1 LYS 41 -32.590 -16.850 16.101 11 HG2 LYS 41 HG2 LYS 41 -31.011 -18.330 14.893 12 HG3 LYS 41 HG1 LYS 41 -30.247 -16.914 14.171 13 HD2 LYS 41 HD2 LYS 41 -29.677 -16.069 16.417 14 HD3 LYS 41 HD1 LYS 41 -30.430 -17.489 17.141 15 HE2 LYS 41 HE2 LYS 41 -28.830 -18.947 15.962 16 HE3 LYS 41 HE1 LYS 41 -28.076 -17.531 15.230 17 HZ1 LYS 41 HZ1 LYS 41 -28.294 -17.249 18.052 18 HZ2 LYS 41 HZ2 LYS 41 -26.914 -17.159 17.064 19 HZ3 LYS 41 HZ3 LYS 41 -27.445 -18.660 17.653 20 H GLN 42 HN GLN 42 -32.424 -14.282 13.341 21 HA GLN 42 HA GLN 42 -31.903 -14.666 10.573 22 HB2 GLN 42 HB2 GLN 42 -31.187 -12.401 12.449 23 HB3 GLN 42 HB1 GLN 42 -30.960 -12.348 10.699 24 HG2 GLN 42 HG2 GLN 42 -33.372 -12.746 10.371 25 HG3 GLN 42 HG1 GLN 42 -33.602 -12.800 12.117 26 HE21 GLN 42 HE21 GLN 42 -34.790 -10.879 12.467 27 HE22 GLN 42 HE22 GLN 42 -34.234 -9.337 12.026 28 H LYS 43 HN LYS 43 -29.958 -14.687 9.452 29 HA LYS 43 HA LYS 43 -27.534 -15.232 11.063 30 HB2 LYS 43 HB2 LYS 43 -28.445 -16.658 8.561 31 HB3 LYS 43 HB1 LYS 43 -26.886 -16.905 9.349 32 HG2 LYS 43 HG2 LYS 43 -28.150 -17.490 11.461 33 HG3 LYS 43 HG1 LYS 43 -29.630 -17.465 10.506 34 HD2 LYS 43 HD2 LYS 43 -27.245 -19.192 9.799 35 HD3 LYS 43 HD1 LYS 43 -28.570 -19.759 10.811 36 HE2 LYS 43 HE2 LYS 43 -30.152 -19.167 8.936 37 HE3 LYS 43 HE1 LYS 43 -28.745 -18.831 7.930 38 HZ1 LYS 43 HZ1 LYS 43 -29.242 -21.025 7.462 39 HZ2 LYS 43 HZ2 LYS 43 -29.610 -21.404 9.077 40 HZ3 LYS 43 HZ3 LYS 43 -27.996 -21.155 8.606 41 H GLU 44 HN GLU 44 -25.608 -14.481 10.288 42 HA GLU 44 HA GLU 44 -25.781 -12.350 8.302 43 HB2 GLU 44 HB2 GLU 44 -23.474 -13.252 10.046 44 HB3 GLU 44 HB1 GLU 44 -23.490 -11.811 9.031 45 HG2 GLU 44 HG2 GLU 44 -25.470 -12.345 11.263 46 HG3 GLU 44 HG1 GLU 44 -24.036 -11.334 11.429 47 H ALA 45 HN ALA 45 -25.369 -15.584 8.158 48 HA ALA 45 HA ALA 45 -23.088 -15.999 6.577 49 HB1 ALA 45 HB1 ALA 45 -25.549 -17.615 6.084 50 HB2 ALA 45 HB2 ALA 45 -24.820 -17.668 7.688 51 HB3 ALA 45 HB3 ALA 45 -23.877 -18.143 6.276 52 H VAL 46 HN VAL 46 -26.400 -15.097 5.682 53 HA VAL 46 HA VAL 46 -26.317 -15.419 2.942 54 HB VAL 46 HB VAL 46 -27.952 -13.603 2.799 55 HG11 VAL 46 HG11 VAL 46 -28.624 -14.824 5.432 56 HG12 VAL 46 HG12 VAL 46 -28.294 -15.932 4.100 57 HG13 VAL 46 HG13 VAL 46 -29.584 -14.738 3.954 58 HG21 VAL 46 HG21 VAL 46 -26.965 -11.921 4.197 59 HG22 VAL 46 HG22 VAL 46 -26.954 -12.999 5.593 60 HG23 VAL 46 HG23 VAL 46 -28.482 -12.378 4.972 61 H ASN 47 HN ASN 47 -25.647 -14.138 1.195 62 HA ASN 47 HA ASN 47 -23.429 -12.321 1.848 63 HB2 ASN 47 HB2 ASN 47 -24.175 -13.614 -0.783 64 HB3 ASN 47 HB1 ASN 47 -22.726 -12.657 -0.473 65 HD21 ASN 47 HD21 ASN 47 -21.583 -13.570 1.744 66 HD22 ASN 47 HD22 ASN 47 -21.349 -15.252 1.728 67 H ASP 48 HN ASP 48 -23.903 -10.238 1.915 68 HA ASP 48 HA ASP 48 -24.980 -8.229 1.527 69 HB2 ASP 48 HB2 ASP 48 -23.409 -8.546 -0.422 70 HB3 ASP 48 HB1 ASP 48 -24.788 -9.137 -1.348 71 H LYS 49 HN LYS 49 -26.905 -9.960 2.335 72 HA LYS 49 HA LYS 49 -29.000 -10.457 0.523 73 HB2 LYS 49 HB2 LYS 49 -28.823 -11.421 2.835 74 HB3 LYS 49 HB1 LYS 49 -29.250 -9.839 3.482 75 HG2 LYS 49 HG2 LYS 49 -31.332 -10.887 3.429 76 HG3 LYS 49 HG1 LYS 49 -31.334 -10.063 1.874 77 HD2 LYS 49 HD2 LYS 49 -30.575 -12.123 0.760 78 HD3 LYS 49 HD1 LYS 49 -30.520 -12.951 2.314 79 HE2 LYS 49 HE2 LYS 49 -32.608 -13.549 1.306 80 HE3 LYS 49 HE1 LYS 49 -32.984 -12.381 2.572 81 HZ1 LYS 49 HZ1 LYS 49 -32.792 -11.885 -0.345 82 HZ2 LYS 49 HZ2 LYS 49 -32.873 -10.639 0.807 83 HZ3 LYS 49 HZ3 LYS 49 -34.163 -11.732 0.642 84 H GLY 50 HN GLY 50 -28.376 -7.706 2.689 85 HA2 GLY 50 HA2 GLY 50 -28.880 -5.466 2.345 86 HA3 GLY 50 HA1 GLY 50 -29.716 -5.905 0.861 87 H LYS 51 HN LYS 51 -30.864 -7.958 3.169 88 HA LYS 51 HA LYS 51 -33.440 -6.820 3.227 89 HB2 LYS 51 HB2 LYS 51 -33.008 -9.213 3.620 90 HB3 LYS 51 HB1 LYS 51 -32.208 -8.819 5.140 91 HG2 LYS 51 HG2 LYS 51 -34.296 -7.849 6.010 92 HG3 LYS 51 HG1 LYS 51 -35.102 -8.193 4.478 93 HD2 LYS 51 HD2 LYS 51 -34.692 -10.602 4.797 94 HD3 LYS 51 HD1 LYS 51 -33.877 -10.262 6.325 95 HE2 LYS 51 HE2 LYS 51 -35.949 -9.273 7.219 96 HE3 LYS 51 HE1 LYS 51 -36.767 -9.598 5.692 97 HZ1 LYS 51 HZ1 LYS 51 -36.043 -11.418 7.829 98 HZ2 LYS 51 HZ2 LYS 51 -35.773 -12.003 6.257 99 HZ3 LYS 51 HZ3 LYS 51 -37.327 -11.497 6.723 100 H ALA 52 HN ALA 52 -30.866 -6.847 5.694 101 HA ALA 52 HA ALA 52 -32.405 -5.008 7.364 102 HB1 ALA 52 HB1 ALA 52 -31.097 -6.944 8.322 103 HB2 ALA 52 HB2 ALA 52 -30.727 -5.374 9.036 104 HB3 ALA 52 HB3 ALA 52 -29.626 -6.089 7.858 105 H ALA 53 HN ALA 53 -29.807 -4.982 5.080 106 HA ALA 53 HA ALA 53 -28.629 -2.504 5.889 107 HB1 ALA 53 HB1 ALA 53 -27.856 -4.494 4.208 108 HB2 ALA 53 HB2 ALA 53 -27.142 -2.882 4.219 109 HB3 ALA 53 HB3 ALA 53 -28.401 -3.279 3.051 110 H VAL 54 HN VAL 54 -28.804 -0.477 4.919 111 HA VAL 54 HA VAL 54 -31.429 0.047 3.713 112 HB VAL 54 HB VAL 54 -29.356 1.953 4.833 113 HG11 VAL 54 HG11 VAL 54 -32.131 2.321 3.694 114 HG12 VAL 54 HG12 VAL 54 -30.647 3.144 3.226 115 HG13 VAL 54 HG13 VAL 54 -31.402 3.507 4.776 116 HG21 VAL 54 HG21 VAL 54 -30.921 2.160 6.718 117 HG22 VAL 54 HG22 VAL 54 -30.421 0.480 6.529 118 HG23 VAL 54 HG23 VAL 54 -32.008 0.997 5.961 119 H VAL 55 HN VAL 55 -31.640 0.649 1.624 120 HA VAL 55 HA VAL 55 -29.787 0.140 -0.304 121 HB VAL 55 HB VAL 55 -31.059 1.641 -1.791 122 HG11 VAL 55 HG11 VAL 55 -31.991 -0.556 -1.322 123 HG12 VAL 55 HG12 VAL 55 -33.306 0.617 -1.364 124 HG13 VAL 55 HG13 VAL 55 -32.700 0.026 0.183 125 HG21 VAL 55 HG21 VAL 55 -31.551 3.573 -0.567 126 HG22 VAL 55 HG22 VAL 55 -32.045 2.664 0.860 127 HG23 VAL 55 HG23 VAL 55 -33.105 2.739 -0.547 128 H LYS 56 HN LYS 56 -30.108 3.153 1.525 129 HA LYS 56 HA LYS 56 -28.270 4.672 -0.013 130 HB2 LYS 56 HB2 LYS 56 -29.167 4.906 2.859 131 HB3 LYS 56 HB1 LYS 56 -28.112 6.080 2.079 132 HG2 LYS 56 HG2 LYS 56 -29.865 6.350 0.283 133 HG3 LYS 56 HG1 LYS 56 -30.934 5.341 1.255 134 HD2 LYS 56 HD2 LYS 56 -29.642 7.867 2.315 135 HD3 LYS 56 HD1 LYS 56 -31.233 7.850 1.557 136 HE2 LYS 56 HE2 LYS 56 -31.921 6.101 3.255 137 HE3 LYS 56 HE1 LYS 56 -30.389 6.396 4.078 138 HZ1 LYS 56 HZ1 LYS 56 -32.221 8.610 3.422 139 HZ2 LYS 56 HZ2 LYS 56 -30.971 8.568 4.572 140 HZ3 LYS 56 HZ3 LYS 56 -32.410 7.707 4.844 141 H VAL 57 HN VAL 57 -27.880 2.552 2.785 142 HA VAL 57 HA VAL 57 -25.201 3.154 3.389 143 HB VAL 57 HB VAL 57 -26.827 0.646 3.822 144 HG11 VAL 57 HG11 VAL 57 -24.679 -0.223 3.984 145 HG12 VAL 57 HG12 VAL 57 -24.911 0.373 5.628 146 HG13 VAL 57 HG13 VAL 57 -23.980 1.322 4.469 147 HG21 VAL 57 HG21 VAL 57 -25.860 2.529 5.944 148 HG22 VAL 57 HG22 VAL 57 -27.314 1.530 5.916 149 HG23 VAL 57 HG23 VAL 57 -27.240 3.007 4.956 150 H VAL 58 HN VAL 58 -26.589 0.764 1.164 151 HA VAL 58 HA VAL 58 -24.513 -0.831 0.503 152 HB VAL 58 HB VAL 58 -26.829 -0.649 -0.607 153 HG11 VAL 58 HG11 VAL 58 -27.151 0.804 -2.368 154 HG12 VAL 58 HG12 VAL 58 -25.440 0.839 -2.790 155 HG13 VAL 58 HG13 VAL 58 -26.028 1.780 -1.421 156 HG21 VAL 58 HG21 VAL 58 -25.711 -2.423 -1.514 157 HG22 VAL 58 HG22 VAL 58 -24.226 -1.498 -1.738 158 HG23 VAL 58 HG23 VAL 58 -25.539 -1.354 -2.906 159 H GLU 59 HN GLU 59 -24.598 2.596 0.054 160 HA GLU 59 HA GLU 59 -22.712 2.878 -2.022 161 HB2 GLU 59 HB2 GLU 59 -23.417 4.668 0.310 162 HB3 GLU 59 HB1 GLU 59 -22.293 5.141 -0.965 163 HG2 GLU 59 HG2 GLU 59 -24.011 4.887 -2.655 164 HG3 GLU 59 HG1 GLU 59 -25.133 4.216 -1.472 165 H SER 60 HN SER 60 -22.320 2.539 1.492 166 HA SER 60 HA SER 60 -19.522 2.966 1.565 167 HB2 SER 60 HB2 SER 60 -19.614 1.869 3.754 168 HB3 SER 60 HB1 SER 60 -20.958 2.993 3.580 169 HG SER 60 HG SER 60 -20.982 0.173 3.246 170 H GLN 61 HN GLN 61 -21.514 0.136 0.987 171 HA GLN 61 HA GLN 61 -19.452 -1.816 1.042 172 HB2 GLN 61 HB2 GLN 61 -21.909 -2.292 1.204 173 HB3 GLN 61 HB1 GLN 61 -22.045 -1.911 -0.513 174 HG2 GLN 61 HG2 GLN 61 -20.487 -3.698 -1.077 175 HG3 GLN 61 HG1 GLN 61 -20.216 -4.038 0.632 176 HE21 GLN 61 HE21 GLN 61 -21.074 -6.239 -0.595 177 HE22 GLN 61 HE22 GLN 61 -22.735 -6.512 -0.377 178 H ALA 62 HN ALA 62 -20.582 0.432 -1.335 179 HA ALA 62 HA ALA 62 -19.629 -0.758 -3.694 180 HB1 ALA 62 HB1 ALA 62 -19.447 2.181 -3.541 181 HB2 ALA 62 HB2 ALA 62 -21.020 1.501 -3.122 182 HB3 ALA 62 HB3 ALA 62 -20.301 1.157 -4.695 183 H GLU 63 HN GLU 63 -17.962 1.300 -1.320 184 HA GLU 63 HA GLU 63 -15.672 1.912 -2.779 185 HB2 GLU 63 HB2 GLU 63 -14.631 2.422 -0.732 186 HB3 GLU 63 HB1 GLU 63 -16.346 2.654 -0.398 187 HG2 GLU 63 HG2 GLU 63 -16.332 0.185 0.372 188 HG3 GLU 63 HG1 GLU 63 -14.579 0.340 0.397 189 H LEU 64 HN LEU 64 -16.680 -1.111 -1.392 190 HA LEU 64 HA LEU 64 -14.199 -2.426 -1.227 191 HB2 LEU 64 HB2 LEU 64 -16.284 -3.316 -0.251 192 HB3 LEU 64 HB1 LEU 64 -16.938 -3.557 -1.869 193 HG LEU 64 HG LEU 64 -15.098 -5.136 -2.379 194 HD11 LEU 64 HD11 LEU 64 -13.920 -5.893 -0.093 195 HD12 LEU 64 HD12 LEU 64 -14.195 -4.198 0.308 196 HD13 LEU 64 HD13 LEU 64 -13.241 -4.623 -1.112 197 HD21 LEU 64 HD21 LEU 64 -16.972 -6.296 -1.620 198 HD22 LEU 64 HD22 LEU 64 -16.902 -5.563 -0.017 199 HD23 LEU 64 HD23 LEU 64 -15.750 -6.823 -0.460 200 H TYR 65 HN TYR 65 -16.541 -2.109 -3.867 201 HA TYR 65 HA TYR 65 -15.244 -3.741 -5.752 202 HB2 TYR 65 HB2 TYR 65 -17.529 -2.988 -6.093 203 HB3 TYR 65 HB1 TYR 65 -16.999 -1.307 -6.156 204 HD1 TYR 65 HD1 TYR 65 -16.631 -4.613 -7.848 205 HD2 TYR 65 HD2 TYR 65 -16.223 -0.350 -8.179 206 HE1 TYR 65 HE1 TYR 65 -16.196 -4.844 -10.278 207 HE2 TYR 65 HE2 TYR 65 -15.786 -0.581 -10.610 208 HH TYR 65 HH TYR 65 -16.565 -2.836 -12.411 209 H SER 66 HN SER 66 -15.015 -0.236 -5.178 210 HA SER 66 HA SER 66 -13.174 0.339 -7.227 211 HB2 SER 66 HB2 SER 66 -14.431 2.087 -6.047 212 HB3 SER 66 HB1 SER 66 -13.566 1.719 -4.558 213 HG SER 66 HG SER 66 -11.626 2.254 -5.698 214 H LEU 67 HN LEU 67 -12.712 -0.553 -3.830 215 HA LEU 67 HA LEU 67 -9.915 -0.276 -3.737 216 HB2 LEU 67 HB2 LEU 67 -11.327 -0.540 -1.733 217 HB3 LEU 67 HB1 LEU 67 -11.711 -2.188 -2.220 218 HG LEU 67 HG LEU 67 -9.317 -2.796 -2.060 219 HD11 LEU 67 HD11 LEU 67 -9.100 0.144 -1.574 220 HD12 LEU 67 HD12 LEU 67 -8.007 -0.932 -2.441 221 HD13 LEU 67 HD13 LEU 67 -8.008 -0.912 -0.678 222 HD21 LEU 67 HD21 LEU 67 -9.120 -2.501 0.436 223 HD22 LEU 67 HD22 LEU 67 -10.675 -3.146 -0.088 224 HD23 LEU 67 HD23 LEU 67 -10.532 -1.448 0.366 225 H GLU 68 HN GLU 68 -11.971 -3.064 -4.517 226 HA GLU 68 HA GLU 68 -9.883 -4.925 -4.938 227 HB2 GLU 68 HB2 GLU 68 -12.717 -4.789 -5.978 228 HB3 GLU 68 HB1 GLU 68 -11.641 -6.151 -6.289 229 HG2 GLU 68 HG2 GLU 68 -11.417 -6.598 -3.923 230 HG3 GLU 68 HG1 GLU 68 -12.299 -5.128 -3.514 231 H LYS 69 HN LYS 69 -11.494 -2.614 -7.043 232 HA LYS 69 HA LYS 69 -10.310 -3.520 -9.473 233 HB2 LYS 69 HB2 LYS 69 -12.393 -2.090 -9.281 234 HB3 LYS 69 HB1 LYS 69 -11.337 -0.735 -8.894 235 HG2 LYS 69 HG2 LYS 69 -11.551 -0.496 -11.206 236 HG3 LYS 69 HG1 LYS 69 -10.080 -1.457 -11.099 237 HD2 LYS 69 HD2 LYS 69 -11.355 -3.508 -11.512 238 HD3 LYS 69 HD1 LYS 69 -12.863 -2.594 -11.511 239 HE2 LYS 69 HE2 LYS 69 -12.247 -2.926 -13.809 240 HE3 LYS 69 HE1 LYS 69 -11.920 -1.235 -13.428 241 HZ1 LYS 69 HZ1 LYS 69 -10.041 -3.438 -13.876 242 HZ2 LYS 69 HZ2 LYS 69 -9.594 -2.209 -12.793 243 HZ3 LYS 69 HZ3 LYS 69 -9.965 -1.828 -14.407 244 H ASN 70 HN ASN 70 -9.422 -1.147 -7.029 245 HA ASN 70 HA ASN 70 -7.478 0.026 -6.649 246 HB2 ASN 70 HB2 ASN 70 -6.242 -2.095 -8.424 247 HB3 ASN 70 HB1 ASN 70 -5.378 -1.022 -7.328 248 HD21 ASN 70 HD21 ASN 70 -6.461 -1.133 -4.940 249 HD22 ASN 70 HD22 ASN 70 -6.723 -2.715 -4.381 250 H GLU 71 HN GLU 71 -9.045 1.200 -8.472 251 HA GLU 71 HA GLU 71 -7.985 1.667 -11.033 252 HB2 GLU 71 HB2 GLU 71 -9.691 3.402 -9.236 253 HB3 GLU 71 HB1 GLU 71 -9.321 3.800 -10.915 254 HG2 GLU 71 HG2 GLU 71 -10.335 1.687 -11.655 255 HG3 GLU 71 HG1 GLU 71 -10.672 1.259 -9.977 256 H ASP 72 HN ASP 72 -7.365 3.261 -7.926 257 HA ASP 72 HA ASP 72 -4.886 4.358 -8.998 258 HB2 ASP 72 HB2 ASP 72 -6.566 6.119 -9.460 259 HB3 ASP 72 HB1 ASP 72 -6.997 6.138 -7.750 260 H ALA 73 HN ALA 73 -3.404 3.717 -7.522 261 HA ALA 73 HA ALA 73 -3.918 4.241 -4.701 262 HB1 ALA 73 HB1 ALA 73 -4.240 2.116 -4.077 263 HB2 ALA 73 HB2 ALA 73 -2.771 1.611 -4.911 264 HB3 ALA 73 HB3 ALA 73 -4.305 1.661 -5.780 265 H SER 74 HN SER 74 -1.980 4.054 -3.395 266 HA SER 74 HA SER 74 0.474 4.465 -4.989 267 HB2 SER 74 HB2 SER 74 -0.155 6.450 -3.726 268 HB3 SER 74 HB1 SER 74 -0.285 5.504 -2.248 269 HG SER 74 HG SER 74 2.063 4.942 -3.100 270 H LEU 75 HN LEU 75 2.478 3.641 -4.066 271 HA LEU 75 HA LEU 75 2.222 0.974 -3.142 272 HB2 LEU 75 HB2 LEU 75 4.443 2.860 -3.709 273 HB3 LEU 75 HB1 LEU 75 4.800 1.524 -2.615 274 HG LEU 75 HG LEU 75 3.972 -0.084 -4.280 275 HD11 LEU 75 HD11 LEU 75 3.253 2.457 -5.714 276 HD12 LEU 75 HD12 LEU 75 2.293 0.994 -5.493 277 HD13 LEU 75 HD13 LEU 75 3.625 1.009 -6.650 278 HD21 LEU 75 HD21 LEU 75 5.784 0.128 -5.865 279 HD22 LEU 75 HD22 LEU 75 6.364 0.750 -4.321 280 HD23 LEU 75 HD23 LEU 75 5.884 1.868 -5.597 281 H ARG 76 HN ARG 76 2.070 3.959 -1.517 282 HA ARG 76 HA ARG 76 3.128 3.005 1.008 283 HB2 ARG 76 HB2 ARG 76 1.669 5.529 0.204 284 HB3 ARG 76 HB1 ARG 76 2.227 5.200 1.845 285 HG2 ARG 76 HG2 ARG 76 4.539 4.974 1.025 286 HG3 ARG 76 HG1 ARG 76 3.990 5.285 -0.622 287 HD2 ARG 76 HD2 ARG 76 3.175 7.507 0.066 288 HD3 ARG 76 HD1 ARG 76 3.718 7.199 1.712 289 HE ARG 76 HE ARG 76 5.904 6.842 -0.030 290 HH11 ARG 76 HH11 ARG 76 7.437 8.507 -0.220 291 HH12 ARG 76 HH12 ARG 76 7.013 10.124 0.235 292 HH21 ARG 76 HH21 ARG 76 3.774 9.294 1.158 293 HH22 ARG 76 HH22 ARG 76 4.937 10.569 1.016 294 H LYS 77 HN LYS 77 -0.004 3.481 -0.542 295 HA LYS 77 HA LYS 77 -1.627 3.087 1.737 296 HB2 LYS 77 HB2 LYS 77 -2.136 2.680 -1.213 297 HB3 LYS 77 HB1 LYS 77 -3.391 2.556 0.024 298 HG2 LYS 77 HG2 LYS 77 -2.937 4.843 0.760 299 HG3 LYS 77 HG1 LYS 77 -1.624 4.978 -0.408 300 HD2 LYS 77 HD2 LYS 77 -3.219 4.669 -2.254 301 HD3 LYS 77 HD1 LYS 77 -4.538 4.508 -1.093 302 HE2 LYS 77 HE2 LYS 77 -4.432 6.796 -1.981 303 HE3 LYS 77 HE1 LYS 77 -4.079 6.784 -0.255 304 HZ1 LYS 77 HZ1 LYS 77 -2.554 8.050 -1.947 305 HZ2 LYS 77 HZ2 LYS 77 -1.853 6.515 -2.139 306 HZ3 LYS 77 HZ3 LYS 77 -1.892 7.249 -0.608 307 H LEU 78 HN LEU 78 0.121 0.866 -0.298 308 HA LEU 78 HA LEU 78 -1.369 -1.444 0.723 309 HB2 LEU 78 HB2 LEU 78 0.995 -1.220 -1.161 310 HB3 LEU 78 HB1 LEU 78 0.248 -2.744 -0.688 311 HG LEU 78 HG LEU 78 -1.229 -0.451 -2.020 312 HD11 LEU 78 HD11 LEU 78 0.409 -2.643 -3.095 313 HD12 LEU 78 HD12 LEU 78 -0.142 -1.161 -3.877 314 HD13 LEU 78 HD13 LEU 78 -1.211 -2.561 -3.788 315 HD21 LEU 78 HD21 LEU 78 -2.924 -1.659 -1.009 316 HD22 LEU 78 HD22 LEU 78 -1.996 -3.158 -0.993 317 HD23 LEU 78 HD23 LEU 78 -2.750 -2.603 -2.486 318 H GLN 79 HN GLN 79 1.841 0.010 0.814 319 HA GLN 79 HA GLN 79 3.209 -1.775 2.399 320 HB2 GLN 79 HB2 GLN 79 4.187 0.261 1.349 321 HB3 GLN 79 HB1 GLN 79 3.410 1.239 2.595 322 HG2 GLN 79 HG2 GLN 79 4.648 0.046 4.341 323 HG3 GLN 79 HG1 GLN 79 5.385 -0.999 3.128 324 HE21 GLN 79 HE21 GLN 79 7.262 0.285 4.544 325 HE22 GLN 79 HE22 GLN 79 7.890 1.631 3.721 326 H ALA 80 HN ALA 80 0.849 0.664 3.410 327 HA ALA 80 HA ALA 80 1.342 0.568 6.176 328 HB1 ALA 80 HB1 ALA 80 -0.541 1.784 4.477 329 HB2 ALA 80 HB2 ALA 80 -0.373 2.021 6.217 330 HB3 ALA 80 HB3 ALA 80 -1.485 0.800 5.596 331 H ASP 81 HN ASP 81 -0.672 -1.441 4.064 332 HA ASP 81 HA ASP 81 -1.643 -3.092 6.222 333 HB2 ASP 81 HB2 ASP 81 -1.726 -3.382 3.212 334 HB3 ASP 81 HB1 ASP 81 -2.428 -4.559 4.320 335 H GLY 82 HN GLY 82 1.163 -2.903 4.295 336 HA2 GLY 82 HA2 GLY 82 3.162 -4.074 4.489 337 HA3 GLY 82 HA1 GLY 82 2.389 -5.130 5.666 338 H ARG 83 HN ARG 83 0.634 -4.752 2.763 339 HA ARG 83 HA ARG 83 0.755 -7.494 2.114 340 HB2 ARG 83 HB2 ARG 83 -0.162 -5.089 0.532 341 HB3 ARG 83 HB1 ARG 83 -0.321 -6.749 -0.052 342 HG2 ARG 83 HG2 ARG 83 -1.669 -7.352 1.881 343 HG3 ARG 83 HG1 ARG 83 -1.420 -5.760 2.593 344 HD2 ARG 83 HD2 ARG 83 -3.614 -5.845 1.518 345 HD3 ARG 83 HD1 ARG 83 -2.565 -4.731 0.647 346 HE ARG 83 HE ARG 83 -2.392 -7.338 -0.483 347 HH11 ARG 83 HH11 ARG 83 -3.435 -7.689 -2.469 348 HH12 ARG 83 HH12 ARG 83 -4.677 -6.601 -2.992 349 HH21 ARG 83 HH21 ARG 83 -4.456 -4.575 -0.186 350 HH22 ARG 83 HH22 ARG 83 -5.256 -4.839 -1.700 351 H ILE 84 HN ILE 84 2.510 -4.700 0.812 352 HA ILE 84 HA ILE 84 3.874 -6.350 -1.151 353 HB ILE 84 HB ILE 84 5.086 -4.254 -1.700 354 HG12 ILE 84 HG12 ILE 84 3.277 -2.994 0.386 355 HG13 ILE 84 HG11 ILE 84 4.986 -3.336 0.656 356 HG21 ILE 84 HG21 ILE 84 2.950 -4.801 -2.788 357 HG22 ILE 84 HG22 ILE 84 3.098 -3.060 -2.555 358 HG23 ILE 84 HG23 ILE 84 2.072 -4.010 -1.480 359 HD11 ILE 84 HD11 ILE 84 3.879 -1.049 -0.570 360 HD12 ILE 84 HD12 ILE 84 4.655 -1.963 -1.861 361 HD13 ILE 84 HD13 ILE 84 5.585 -1.471 -0.446 362 H THR 85 HN THR 85 6.341 -6.028 -1.292 363 HA THR 85 HA THR 85 7.469 -7.162 1.087 364 HB THR 85 HB THR 85 9.110 -7.839 -0.301 365 HG1 THR 85 HG1 THR 85 10.211 -6.271 -1.628 366 HG21 THR 85 HG21 THR 85 8.607 -7.817 -2.642 367 HG22 THR 85 HG22 THR 85 7.651 -6.344 -2.486 368 HG23 THR 85 HG23 THR 85 7.058 -7.857 -1.800 369 H GLU 86 HN GLU 86 8.495 -6.169 2.710 370 HA GLU 86 HA GLU 86 8.752 -3.268 2.643 371 HB2 GLU 86 HB2 GLU 86 9.254 -5.310 4.821 372 HB3 GLU 86 HB1 GLU 86 9.451 -3.569 5.031 373 HG2 GLU 86 HG2 GLU 86 7.092 -3.214 4.445 374 HG3 GLU 86 HG1 GLU 86 6.884 -4.945 4.184 375 H GLU 87 HN GLU 87 10.655 -5.987 1.959 376 HA GLU 87 HA GLU 87 13.204 -5.017 2.792 377 HB2 GLU 87 HB2 GLU 87 14.121 -6.801 1.403 378 HB3 GLU 87 HB1 GLU 87 12.755 -7.405 2.341 379 HG2 GLU 87 HG2 GLU 87 11.280 -7.048 0.368 380 HG3 GLU 87 HG1 GLU 87 12.686 -6.546 -0.568 381 H GLN 88 HN GLN 88 11.283 -4.628 -0.141 382 HA GLN 88 HA GLN 88 13.363 -3.563 -1.767 383 HB2 GLN 88 HB2 GLN 88 11.612 -2.917 -3.254 384 HB3 GLN 88 HB1 GLN 88 11.108 -4.440 -2.532 385 HG2 GLN 88 HG2 GLN 88 9.175 -3.202 -2.230 386 HG3 GLN 88 HG1 GLN 88 10.017 -2.849 -0.722 387 HE21 GLN 88 HE21 GLN 88 8.979 -0.734 -0.532 388 HE22 GLN 88 HE22 GLN 88 9.415 0.553 -1.551 389 H ALA 89 HN ALA 89 11.284 -2.277 0.680 390 HA ALA 89 HA ALA 89 11.426 0.469 0.097 391 HB1 ALA 89 HB1 ALA 89 10.197 -1.064 2.014 392 HB2 ALA 89 HB2 ALA 89 10.234 0.699 1.998 393 HB3 ALA 89 HB3 ALA 89 11.414 -0.199 2.954 394 H LYS 90 HN LYS 90 13.590 -1.636 1.952 395 HA LYS 90 HA LYS 90 15.216 0.371 3.057 396 HB2 LYS 90 HB2 LYS 90 15.707 -2.518 2.369 397 HB3 LYS 90 HB1 LYS 90 16.990 -1.505 3.028 398 HG2 LYS 90 HG2 LYS 90 15.837 -2.682 4.845 399 HG3 LYS 90 HG1 LYS 90 15.540 -0.949 4.963 400 HD2 LYS 90 HD2 LYS 90 13.326 -1.142 4.264 401 HD3 LYS 90 HD1 LYS 90 13.622 -2.660 3.416 402 HE2 LYS 90 HE2 LYS 90 12.333 -3.040 5.489 403 HE3 LYS 90 HE1 LYS 90 13.913 -3.820 5.568 404 HZ1 LYS 90 HZ1 LYS 90 14.281 -1.252 6.507 405 HZ2 LYS 90 HZ2 LYS 90 14.269 -2.685 7.420 406 HZ3 LYS 90 HZ3 LYS 90 12.840 -1.787 7.225 407 H ALA 91 HN ALA 91 15.445 -1.331 -0.073 408 HA ALA 91 HA ALA 91 17.923 -0.266 -0.862 409 HB1 ALA 91 HB1 ALA 91 16.011 -1.942 -1.990 410 HB2 ALA 91 HB2 ALA 91 17.530 -1.445 -2.736 411 HB3 ALA 91 HB3 ALA 91 16.047 -0.550 -3.072 412 H TYR 92 HN TYR 92 14.634 0.988 -1.218 413 HA TYR 92 HA TYR 92 15.223 3.215 -2.835 414 HB2 TYR 92 HB2 TYR 92 12.929 2.476 -2.447 415 HB3 TYR 92 HB1 TYR 92 13.071 2.866 -0.733 416 HD1 TYR 92 HD1 TYR 92 13.232 4.360 -4.149 417 HD2 TYR 92 HD2 TYR 92 12.675 5.065 0.052 418 HE1 TYR 92 HE1 TYR 92 12.577 6.704 -4.629 419 HE2 TYR 92 HE2 TYR 92 12.020 7.409 -0.428 420 HH TYR 92 HH TYR 92 12.457 8.842 -3.528 421 H LYS 93 HN LYS 93 15.068 2.870 0.689 422 HA LYS 93 HA LYS 93 15.632 5.529 1.374 423 HB2 LYS 93 HB2 LYS 93 14.789 3.716 2.911 424 HB3 LYS 93 HB1 LYS 93 16.426 3.067 2.944 425 HG2 LYS 93 HG2 LYS 93 16.457 4.433 4.828 426 HG3 LYS 93 HG1 LYS 93 17.072 5.545 3.609 427 HD2 LYS 93 HD2 LYS 93 14.827 6.495 3.307 428 HD3 LYS 93 HD1 LYS 93 14.169 5.343 4.469 429 HE2 LYS 93 HE2 LYS 93 14.525 7.411 5.645 430 HE3 LYS 93 HE1 LYS 93 15.781 6.290 6.173 431 HZ1 LYS 93 HZ1 LYS 93 17.387 7.379 4.966 432 HZ2 LYS 93 HZ2 LYS 93 16.416 8.679 5.468 433 HZ3 LYS 93 HZ3 LYS 93 16.279 8.072 3.886 434 H GLU 94 HN GLU 94 17.798 2.806 0.672 435 HA GLU 94 HA GLU 94 20.197 3.984 1.534 436 HB2 GLU 94 HB2 GLU 94 19.628 1.921 -0.594 437 HB3 GLU 94 HB1 GLU 94 21.262 2.399 -0.134 438 HG2 GLU 94 HG2 GLU 94 20.901 1.691 2.146 439 HG3 GLU 94 HG1 GLU 94 19.192 1.398 1.836 440 H TYR 95 HN TYR 95 18.521 4.196 -1.597 441 HA TYR 95 HA TYR 95 20.565 5.480 -3.022 442 HB2 TYR 95 HB2 TYR 95 17.577 5.433 -3.283 443 HB3 TYR 95 HB1 TYR 95 18.535 6.506 -4.303 444 HD1 TYR 95 HD1 TYR 95 17.321 3.172 -3.878 445 HD2 TYR 95 HD2 TYR 95 20.556 5.449 -5.551 446 HE1 TYR 95 HE1 TYR 95 17.901 1.264 -5.351 447 HE2 TYR 95 HE2 TYR 95 21.136 3.540 -7.026 448 HH TYR 95 HH TYR 95 20.628 1.478 -7.648 449 H ASN 96 HN ASN 96 18.013 6.830 -0.940 450 HA ASN 96 HA ASN 96 18.540 9.546 -1.464 451 HB2 ASN 96 HB2 ASN 96 16.551 8.626 -0.220 452 HB3 ASN 96 HB1 ASN 96 17.609 8.384 1.169 453 HD21 ASN 96 HD21 ASN 96 16.629 10.016 2.511 454 HD22 ASN 96 HD22 ASN 96 16.711 11.669 2.134 455 H ASP 97 HN ASP 97 19.871 7.316 0.956 456 HA ASP 97 HA ASP 97 21.475 9.162 2.342 457 HB2 ASP 97 HB2 ASP 97 21.000 6.875 3.148 458 HB3 ASP 97 HB1 ASP 97 22.007 6.222 1.856 459 H LYS 98 HN LYS 98 22.239 7.075 -0.440 460 HA LYS 98 HA LYS 98 24.941 7.873 -0.715 461 HB2 LYS 98 HB2 LYS 98 22.945 6.783 -2.713 462 HB3 LYS 98 HB1 LYS 98 24.649 7.050 -3.087 463 HG2 LYS 98 HG2 LYS 98 25.292 5.542 -1.241 464 HG3 LYS 98 HG1 LYS 98 23.590 5.270 -0.869 465 HD2 LYS 98 HD2 LYS 98 23.233 4.311 -3.101 466 HD3 LYS 98 HD1 LYS 98 24.919 4.624 -3.519 467 HE2 LYS 98 HE2 LYS 98 24.653 2.284 -2.844 468 HE3 LYS 98 HE1 LYS 98 25.632 3.143 -1.656 469 HZ1 LYS 98 HZ1 LYS 98 22.762 3.159 -1.206 470 HZ2 LYS 98 HZ2 LYS 98 24.037 2.993 -0.096 471 HZ3 LYS 98 HZ3 LYS 98 23.528 1.659 -1.015 472 H ASN 99 HN ASN 99 21.923 9.115 -2.009 473 HA ASN 99 HA ASN 99 23.144 11.106 -3.684 474 HB2 ASN 99 HB2 ASN 99 20.311 10.675 -2.728 475 HB3 ASN 99 HB1 ASN 99 20.776 11.998 -3.795 476 HD21 ASN 99 HD21 ASN 99 18.970 9.879 -4.603 477 HD22 ASN 99 HD22 ASN 99 19.729 9.005 -5.843 478 H GLY 100 HN GLY 100 22.776 10.845 -0.372 479 HA2 GLY 100 HA2 GLY 100 22.196 13.603 0.240 480 HA3 GLY 100 HA1 GLY 100 22.718 12.365 1.379 481 H GLY 101 HN GLY 101 23.753 14.866 1.626 482 HA2 GLY 101 HA2 GLY 101 26.367 14.913 0.300 483 HA3 GLY 101 HA1 GLY 101 25.672 16.202 1.279 484 H ALA 102 HN ALA 102 25.212 13.257 2.798 485 HA ALA 102 HA ALA 102 27.556 13.711 4.545 486 HB1 ALA 102 HB1 ALA 102 26.260 13.276 6.358 487 HB2 ALA 102 HB2 ALA 102 25.339 12.023 5.526 488 HB3 ALA 102 HB3 ALA 102 24.940 13.722 5.277 489 H ASN 103 HN ASN 103 26.697 11.850 2.055 490 HA ASN 103 HA ASN 103 27.215 9.209 3.029 491 HB2 ASN 103 HB2 ASN 103 25.913 9.815 0.940 492 HB3 ASN 103 HB1 ASN 103 27.463 10.166 0.177 493 HD21 ASN 103 HD21 ASN 103 27.450 8.368 -1.295 494 HD22 ASN 103 HD22 ASN 103 27.526 6.757 -0.765 495 H ARG 104 HN ARG 104 29.090 8.131 3.229 496 HA ARG 104 HA ARG 104 31.577 9.536 3.096 497 HB2 ARG 104 HB2 ARG 104 30.969 6.587 3.443 498 HB3 ARG 104 HB1 ARG 104 32.556 7.326 3.669 499 HG2 ARG 104 HG2 ARG 104 31.754 8.672 5.498 500 HG3 ARG 104 HG1 ARG 104 30.083 8.197 5.186 501 HD2 ARG 104 HD2 ARG 104 32.289 6.275 5.975 502 HD3 ARG 104 HD1 ARG 104 31.113 6.955 7.097 503 HE ARG 104 HE ARG 104 29.680 5.785 4.996 504 HH11 ARG 104 HH11 ARG 104 28.816 3.698 5.243 505 HH12 ARG 104 HH12 ARG 104 29.487 2.624 6.425 506 HH21 ARG 104 HH21 ARG 104 31.869 4.892 7.523 507 HH22 ARG 104 HH22 ARG 104 31.214 3.300 7.715 508 H LYS 105 HN LYS 105 33.454 8.792 1.771 509 HA LYS 105 HA LYS 105 34.384 8.524 -0.304 510 HB2 LYS 105 HB2 LYS 105 32.348 6.293 -0.345 511 HB3 LYS 105 HB1 LYS 105 33.666 6.458 -1.505 512 HG2 LYS 105 HG2 LYS 105 35.268 6.471 0.452 513 HG3 LYS 105 HG1 LYS 105 33.906 6.057 1.490 514 HD2 LYS 105 HD2 LYS 105 34.694 4.410 -0.926 515 HD3 LYS 105 HD1 LYS 105 35.305 4.087 0.694 516 HE2 LYS 105 HE2 LYS 105 32.912 3.905 1.476 517 HE3 LYS 105 HE1 LYS 105 32.412 4.016 -0.211 518 HZ1 LYS 105 HZ1 LYS 105 33.789 1.849 1.176 519 HZ2 LYS 105 HZ2 LYS 105 34.196 2.123 -0.451 520 HZ3 LYS 105 HZ3 LYS 105 32.588 1.782 -0.021 521 H VAL 106 HN VAL 106 33.383 7.754 -2.746 522 HA VAL 106 HA VAL 106 32.465 8.758 -4.608 523 HB VAL 106 HB VAL 106 29.963 9.241 -3.044 524 HG11 VAL 106 HG11 VAL 106 30.479 7.839 -5.680 525 HG12 VAL 106 HG12 VAL 106 30.186 9.573 -5.541 526 HG13 VAL 106 HG13 VAL 106 28.933 8.427 -5.067 527 HG21 VAL 106 HG21 VAL 106 31.369 6.614 -3.439 528 HG22 VAL 106 HG22 VAL 106 29.607 6.668 -3.492 529 HG23 VAL 106 HG23 VAL 106 30.462 7.191 -2.042 530 H ASN 107 HN ASN 107 33.471 10.507 -2.195 531 HA ASN 107 HA ASN 107 32.050 12.979 -2.460 532 HB2 ASN 107 HB2 ASN 107 34.734 12.266 -1.272 533 HB3 ASN 107 HB1 ASN 107 34.078 13.902 -1.251 534 HD21 ASN 107 HD21 ASN 107 34.557 12.378 1.164 535 HD22 ASN 107 HD22 ASN 107 33.052 12.079 1.889 536 H ASP 108 HN ASP 108 34.328 11.376 -4.391 537 HA ASP 108 HA ASP 108 35.715 13.632 -5.465 538 HB2 ASP 108 HB2 ASP 108 36.610 11.345 -5.621 539 HB3 ASP 108 HB1 ASP 108 35.259 10.888 -6.659 Start of MODEL 12 1 HA THR 40 HA THR 40 -52.492 -6.455 -2.781 2 HB THR 40 HB THR 40 -51.219 -7.672 -1.004 3 HG1 THR 40 HG1 THR 40 -49.550 -8.700 -2.987 4 HG21 THR 40 HG21 THR 40 -52.894 -8.846 -2.379 5 HG22 THR 40 HG22 THR 40 -51.556 -9.920 -1.963 6 HG23 THR 40 HG23 THR 40 -51.653 -9.216 -3.576 7 H LYS 41 HN LYS 41 -51.705 -5.516 -0.577 8 HA LYS 41 HA LYS 41 -50.739 -2.953 -0.969 9 HB2 LYS 41 HB2 LYS 41 -50.429 -2.854 1.463 10 HB3 LYS 41 HB1 LYS 41 -51.941 -3.665 1.058 11 HG2 LYS 41 HG2 LYS 41 -50.828 -5.862 1.333 12 HG3 LYS 41 HG1 LYS 41 -49.331 -5.041 1.776 13 HD2 LYS 41 HD2 LYS 41 -50.468 -3.994 3.699 14 HD3 LYS 41 HD1 LYS 41 -51.964 -4.821 3.263 15 HE2 LYS 41 HE2 LYS 41 -50.851 -7.002 3.558 16 HE3 LYS 41 HE1 LYS 41 -49.352 -6.181 3.990 17 HZ1 LYS 41 HZ1 LYS 41 -50.836 -5.032 5.744 18 HZ2 LYS 41 HZ2 LYS 41 -50.283 -6.613 6.031 19 HZ3 LYS 41 HZ3 LYS 41 -51.874 -6.352 5.496 20 H GLN 42 HN GLN 42 -48.761 -1.930 -0.486 21 HA GLN 42 HA GLN 42 -46.422 -3.617 -1.032 22 HB2 GLN 42 HB2 GLN 42 -46.702 -0.600 -1.009 23 HB3 GLN 42 HB1 GLN 42 -45.278 -1.500 -1.524 24 HG2 GLN 42 HG2 GLN 42 -48.025 -1.668 -2.800 25 HG3 GLN 42 HG1 GLN 42 -46.639 -0.805 -3.463 26 HE21 GLN 42 HE21 GLN 42 -48.290 -3.645 -3.832 27 HE22 GLN 42 HE22 GLN 42 -47.027 -4.643 -4.370 28 H LYS 43 HN LYS 43 -44.376 -2.985 0.109 29 HA LYS 43 HA LYS 43 -43.161 -2.861 2.056 30 HB2 LYS 43 HB2 LYS 43 -45.387 -1.029 2.991 31 HB3 LYS 43 HB1 LYS 43 -43.769 -1.146 3.674 32 HG2 LYS 43 HG2 LYS 43 -44.160 -0.476 0.759 33 HG3 LYS 43 HG1 LYS 43 -44.256 0.777 1.993 34 HD2 LYS 43 HD2 LYS 43 -41.988 0.089 2.803 35 HD3 LYS 43 HD1 LYS 43 -41.890 -1.043 1.454 36 HE2 LYS 43 HE2 LYS 43 -40.760 1.045 0.864 37 HE3 LYS 43 HE1 LYS 43 -42.202 0.841 -0.129 38 HZ1 LYS 43 HZ1 LYS 43 -41.573 2.950 1.603 39 HZ2 LYS 43 HZ2 LYS 43 -42.941 2.156 2.225 40 HZ3 LYS 43 HZ3 LYS 43 -42.954 2.760 0.637 41 H GLU 44 HN GLU 44 -44.083 -5.167 2.083 42 HA GLU 44 HA GLU 44 -46.135 -5.888 3.888 43 HB2 GLU 44 HB2 GLU 44 -43.716 -7.472 2.975 44 HB3 GLU 44 HB1 GLU 44 -45.118 -8.144 3.805 45 HG2 GLU 44 HG2 GLU 44 -45.731 -8.535 1.608 46 HG3 GLU 44 HG1 GLU 44 -46.446 -6.944 1.844 47 H ALA 45 HN ALA 45 -45.782 -7.128 5.924 48 HA ALA 45 HA ALA 45 -44.436 -5.567 7.829 49 HB1 ALA 45 HB1 ALA 45 -44.930 -7.368 9.401 50 HB2 ALA 45 HB2 ALA 45 -45.265 -8.468 8.064 51 HB3 ALA 45 HB3 ALA 45 -46.320 -7.085 8.355 52 H VAL 46 HN VAL 46 -43.459 -8.550 6.166 53 HA VAL 46 HA VAL 46 -40.753 -8.220 7.325 54 HB VAL 46 HB VAL 46 -42.130 -10.747 6.383 55 HG11 VAL 46 HG11 VAL 46 -40.035 -11.758 7.496 56 HG12 VAL 46 HG12 VAL 46 -39.339 -10.142 7.368 57 HG13 VAL 46 HG13 VAL 46 -39.821 -11.013 5.912 58 HG21 VAL 46 HG21 VAL 46 -41.965 -11.369 8.786 59 HG22 VAL 46 HG22 VAL 46 -42.971 -9.941 8.546 60 HG23 VAL 46 HG23 VAL 46 -41.319 -9.768 9.140 61 H ASN 47 HN ASN 47 -39.215 -7.682 5.922 62 HA ASN 47 HA ASN 47 -39.792 -7.685 3.074 63 HB2 ASN 47 HB2 ASN 47 -37.717 -6.440 2.856 64 HB3 ASN 47 HB1 ASN 47 -38.677 -5.755 4.167 65 HD21 ASN 47 HD21 ASN 47 -36.370 -4.949 4.794 66 HD22 ASN 47 HD22 ASN 47 -35.451 -5.979 5.782 67 H ASP 48 HN ASP 48 -37.700 -8.237 1.697 68 HA ASP 48 HA ASP 48 -36.060 -10.398 2.518 69 HB2 ASP 48 HB2 ASP 48 -38.730 -11.088 1.638 70 HB3 ASP 48 HB1 ASP 48 -37.522 -11.758 0.544 71 H LYS 49 HN LYS 49 -37.836 -9.203 -0.330 72 HA LYS 49 HA LYS 49 -35.818 -9.739 -2.220 73 HB2 LYS 49 HB2 LYS 49 -38.220 -9.211 -2.739 74 HB3 LYS 49 HB1 LYS 49 -37.888 -7.531 -2.331 75 HG2 LYS 49 HG2 LYS 49 -37.588 -7.509 -4.643 76 HG3 LYS 49 HG1 LYS 49 -35.939 -7.785 -4.092 77 HD2 LYS 49 HD2 LYS 49 -36.207 -10.207 -4.436 78 HD3 LYS 49 HD1 LYS 49 -37.881 -9.959 -4.935 79 HE2 LYS 49 HE2 LYS 49 -36.561 -10.151 -6.939 80 HE3 LYS 49 HE1 LYS 49 -37.009 -8.454 -6.771 81 HZ1 LYS 49 HZ1 LYS 49 -34.405 -9.723 -6.164 82 HZ2 LYS 49 HZ2 LYS 49 -34.817 -8.178 -5.589 83 HZ3 LYS 49 HZ3 LYS 49 -34.730 -8.470 -7.260 84 H GLY 50 HN GLY 50 -36.491 -6.919 -0.204 85 HA2 GLY 50 HA2 GLY 50 -34.960 -5.335 0.571 86 HA3 GLY 50 HA1 GLY 50 -33.747 -6.009 -0.513 87 H LYS 51 HN LYS 51 -36.487 -5.627 -2.304 88 HA LYS 51 HA LYS 51 -35.459 -3.536 -3.895 89 HB2 LYS 51 HB2 LYS 51 -37.088 -5.199 -4.723 90 HB3 LYS 51 HB1 LYS 51 -38.319 -4.512 -3.664 91 HG2 LYS 51 HG2 LYS 51 -38.144 -2.354 -4.829 92 HG3 LYS 51 HG1 LYS 51 -36.872 -3.005 -5.864 93 HD2 LYS 51 HD2 LYS 51 -38.427 -4.670 -6.769 94 HD3 LYS 51 HD1 LYS 51 -39.700 -4.085 -5.698 95 HE2 LYS 51 HE2 LYS 51 -39.979 -3.114 -7.932 96 HE3 LYS 51 HE1 LYS 51 -39.558 -1.852 -6.774 97 HZ1 LYS 51 HZ1 LYS 51 -38.295 -1.798 -8.911 98 HZ2 LYS 51 HZ2 LYS 51 -37.555 -3.256 -8.451 99 HZ3 LYS 51 HZ3 LYS 51 -37.329 -1.853 -7.519 100 H ALA 52 HN ALA 52 -37.874 -3.595 -1.316 101 HA ALA 52 HA ALA 52 -38.709 -0.913 -1.471 102 HB1 ALA 52 HB1 ALA 52 -39.454 -1.233 0.867 103 HB2 ALA 52 HB2 ALA 52 -38.555 -2.748 0.933 104 HB3 ALA 52 HB3 ALA 52 -39.927 -2.582 -0.164 105 H ALA 53 HN ALA 53 -36.002 -2.448 0.201 106 HA ALA 53 HA ALA 53 -35.171 -0.348 1.826 107 HB1 ALA 53 HB1 ALA 53 -34.236 -2.715 1.717 108 HB2 ALA 53 HB2 ALA 53 -33.051 -1.425 1.922 109 HB3 ALA 53 HB3 ALA 53 -33.277 -2.172 0.340 110 H VAL 54 HN VAL 54 -33.852 1.412 1.558 111 HA VAL 54 HA VAL 54 -33.891 2.686 -0.989 112 HB VAL 54 HB VAL 54 -32.423 3.404 1.558 113 HG11 VAL 54 HG11 VAL 54 -32.421 5.703 0.480 114 HG12 VAL 54 HG12 VAL 54 -32.892 4.916 -1.026 115 HG13 VAL 54 HG13 VAL 54 -31.344 4.528 -0.275 116 HG21 VAL 54 HG21 VAL 54 -34.817 3.409 1.893 117 HG22 VAL 54 HG22 VAL 54 -35.083 4.236 0.359 118 HG23 VAL 54 HG23 VAL 54 -34.311 5.087 1.697 119 H VAL 55 HN VAL 55 -32.391 2.849 -2.529 120 HA VAL 55 HA VAL 55 -30.286 0.994 -2.734 121 HB VAL 55 HB VAL 55 -30.876 3.540 -4.249 122 HG11 VAL 55 HG11 VAL 55 -28.621 3.318 -4.731 123 HG12 VAL 55 HG12 VAL 55 -29.296 2.224 -5.936 124 HG13 VAL 55 HG13 VAL 55 -28.622 1.580 -4.439 125 HG21 VAL 55 HG21 VAL 55 -31.795 2.075 -5.899 126 HG22 VAL 55 HG22 VAL 55 -32.431 1.504 -4.356 127 HG23 VAL 55 HG23 VAL 55 -31.094 0.652 -5.129 128 H LYS 56 HN LYS 56 -30.309 4.408 -1.773 129 HA LYS 56 HA LYS 56 -27.551 4.850 -1.738 130 HB2 LYS 56 HB2 LYS 56 -29.299 6.617 -1.472 131 HB3 LYS 56 HB1 LYS 56 -29.611 6.019 0.153 132 HG2 LYS 56 HG2 LYS 56 -28.139 7.862 0.446 133 HG3 LYS 56 HG1 LYS 56 -27.120 6.440 0.627 134 HD2 LYS 56 HD2 LYS 56 -26.256 6.684 -1.619 135 HD3 LYS 56 HD1 LYS 56 -27.435 7.942 -1.988 136 HE2 LYS 56 HE2 LYS 56 -26.412 9.367 -0.222 137 HE3 LYS 56 HE1 LYS 56 -25.198 8.116 0.051 138 HZ1 LYS 56 HZ1 LYS 56 -25.671 9.392 -2.583 139 HZ2 LYS 56 HZ2 LYS 56 -24.388 8.366 -2.148 140 HZ3 LYS 56 HZ3 LYS 56 -24.496 9.925 -1.481 141 H VAL 57 HN VAL 57 -29.688 3.453 0.709 142 HA VAL 57 HA VAL 57 -27.857 3.325 2.840 143 HB VAL 57 HB VAL 57 -30.231 1.594 2.133 144 HG11 VAL 57 HG11 VAL 57 -29.940 1.205 4.770 145 HG12 VAL 57 HG12 VAL 57 -28.243 1.431 4.351 146 HG13 VAL 57 HG13 VAL 57 -29.176 0.147 3.584 147 HG21 VAL 57 HG21 VAL 57 -30.420 4.106 2.751 148 HG22 VAL 57 HG22 VAL 57 -29.950 3.598 4.374 149 HG23 VAL 57 HG23 VAL 57 -31.426 2.965 3.645 150 H VAL 58 HN VAL 58 -28.529 1.035 0.219 151 HA VAL 58 HA VAL 58 -27.010 -1.131 1.065 152 HB VAL 58 HB VAL 58 -27.561 -0.094 -1.719 153 HG11 VAL 58 HG11 VAL 58 -25.620 -1.433 -1.989 154 HG12 VAL 58 HG12 VAL 58 -26.962 -2.526 -2.327 155 HG13 VAL 58 HG13 VAL 58 -26.147 -2.588 -0.765 156 HG21 VAL 58 HG21 VAL 58 -28.703 -2.405 -0.114 157 HG22 VAL 58 HG22 VAL 58 -29.209 -1.914 -1.730 158 HG23 VAL 58 HG23 VAL 58 -29.501 -0.850 -0.355 159 H GLU 59 HN GLU 59 -25.936 1.970 0.033 160 HA GLU 59 HA GLU 59 -23.486 1.535 -1.134 161 HB2 GLU 59 HB2 GLU 59 -22.807 3.687 -0.306 162 HB3 GLU 59 HB1 GLU 59 -24.540 3.771 -0.628 163 HG2 GLU 59 HG2 GLU 59 -24.907 3.204 1.827 164 HG3 GLU 59 HG1 GLU 59 -23.178 3.454 2.059 165 H SER 60 HN SER 60 -24.447 0.727 2.077 166 HA SER 60 HA SER 60 -21.954 0.751 3.393 167 HB2 SER 60 HB2 SER 60 -24.380 -1.011 3.802 168 HB3 SER 60 HB1 SER 60 -23.001 -0.954 4.898 169 HG SER 60 HG SER 60 -24.958 0.975 4.345 170 H GLN 61 HN GLN 61 -23.548 -1.689 1.393 171 HA GLN 61 HA GLN 61 -21.644 -3.759 1.794 172 HB2 GLN 61 HB2 GLN 61 -23.597 -3.226 -0.459 173 HB3 GLN 61 HB1 GLN 61 -22.631 -4.694 -0.327 174 HG2 GLN 61 HG2 GLN 61 -24.571 -3.704 1.785 175 HG3 GLN 61 HG1 GLN 61 -24.921 -4.973 0.615 176 HE21 GLN 61 HE21 GLN 61 -22.998 -6.753 0.628 177 HE22 GLN 61 HE22 GLN 61 -22.549 -7.272 2.180 178 H ALA 62 HN ALA 62 -21.761 -0.962 -0.271 179 HA ALA 62 HA ALA 62 -19.912 -1.710 -2.248 180 HB1 ALA 62 HB1 ALA 62 -20.158 1.083 -1.137 181 HB2 ALA 62 HB2 ALA 62 -21.405 0.369 -2.161 182 HB3 ALA 62 HB3 ALA 62 -19.771 0.592 -2.786 183 H GLU 63 HN GLU 63 -19.429 -0.346 0.987 184 HA GLU 63 HA GLU 63 -16.684 0.224 0.776 185 HB2 GLU 63 HB2 GLU 63 -18.106 0.982 2.650 186 HB3 GLU 63 HB1 GLU 63 -18.228 -0.683 3.219 187 HG2 GLU 63 HG2 GLU 63 -15.799 -0.775 3.549 188 HG3 GLU 63 HG1 GLU 63 -15.634 0.861 2.912 189 H LEU 64 HN LEU 64 -18.373 -2.750 1.742 190 HA LEU 64 HA LEU 64 -16.070 -4.244 2.415 191 HB2 LEU 64 HB2 LEU 64 -18.833 -5.055 1.505 192 HB3 LEU 64 HB1 LEU 64 -17.589 -6.235 1.916 193 HG LEU 64 HG LEU 64 -17.356 -5.169 4.155 194 HD11 LEU 64 HD11 LEU 64 -19.491 -3.388 3.002 195 HD12 LEU 64 HD12 LEU 64 -18.049 -2.944 3.918 196 HD13 LEU 64 HD13 LEU 64 -19.427 -3.676 4.740 197 HD21 LEU 64 HD21 LEU 64 -19.324 -6.155 5.084 198 HD22 LEU 64 HD22 LEU 64 -18.971 -7.082 3.625 199 HD23 LEU 64 HD23 LEU 64 -20.249 -5.866 3.610 200 H TYR 65 HN TYR 65 -17.796 -3.758 -0.625 201 HA TYR 65 HA TYR 65 -16.463 -5.667 -2.193 202 HB2 TYR 65 HB2 TYR 65 -18.465 -4.545 -2.990 203 HB3 TYR 65 HB1 TYR 65 -17.641 -2.987 -2.963 204 HD1 TYR 65 HD1 TYR 65 -17.575 -6.370 -4.534 205 HD2 TYR 65 HD2 TYR 65 -16.311 -2.272 -4.787 206 HE1 TYR 65 HE1 TYR 65 -16.734 -6.772 -6.832 207 HE2 TYR 65 HE2 TYR 65 -15.468 -2.673 -7.084 208 HH TYR 65 HH TYR 65 -15.644 -5.910 -8.566 209 H SER 66 HN SER 66 -15.725 -2.224 -1.650 210 HA SER 66 HA SER 66 -13.427 -2.107 -3.280 211 HB2 SER 66 HB2 SER 66 -14.566 -0.094 -2.460 212 HB3 SER 66 HB1 SER 66 -14.113 -0.497 -0.806 213 HG SER 66 HG SER 66 -11.884 -0.599 -2.041 214 H LEU 67 HN LEU 67 -13.860 -2.842 0.150 215 HA LEU 67 HA LEU 67 -11.151 -3.020 0.870 216 HB2 LEU 67 HB2 LEU 67 -12.987 -2.917 2.506 217 HB3 LEU 67 HB1 LEU 67 -13.541 -4.508 1.990 218 HG LEU 67 HG LEU 67 -11.390 -5.494 2.715 219 HD11 LEU 67 HD11 LEU 67 -10.097 -3.767 4.297 220 HD12 LEU 67 HD12 LEU 67 -10.759 -2.606 3.148 221 HD13 LEU 67 HD13 LEU 67 -9.714 -3.910 2.581 222 HD21 LEU 67 HD21 LEU 67 -13.192 -5.462 4.333 223 HD22 LEU 67 HD22 LEU 67 -12.839 -3.786 4.757 224 HD23 LEU 67 HD23 LEU 67 -11.696 -5.063 5.179 225 H GLU 68 HN GLU 68 -13.411 -5.476 -0.349 226 HA GLU 68 HA GLU 68 -11.686 -7.693 -0.148 227 HB2 GLU 68 HB2 GLU 68 -14.116 -7.877 -0.554 228 HB3 GLU 68 HB1 GLU 68 -13.890 -7.199 -2.165 229 HG2 GLU 68 HG2 GLU 68 -12.448 -9.084 -2.786 230 HG3 GLU 68 HG1 GLU 68 -12.588 -9.747 -1.159 231 H LYS 69 HN LYS 69 -12.209 -5.358 -2.771 232 HA LYS 69 HA LYS 69 -10.225 -6.651 -4.449 233 HB2 LYS 69 HB2 LYS 69 -11.805 -4.096 -4.811 234 HB3 LYS 69 HB1 LYS 69 -10.738 -4.796 -6.027 235 HG2 LYS 69 HG2 LYS 69 -12.928 -6.464 -4.811 236 HG3 LYS 69 HG1 LYS 69 -13.309 -5.329 -6.104 237 HD2 LYS 69 HD2 LYS 69 -11.542 -6.406 -7.513 238 HD3 LYS 69 HD1 LYS 69 -11.300 -7.601 -6.240 239 HE2 LYS 69 HE2 LYS 69 -12.818 -8.516 -7.907 240 HE3 LYS 69 HE1 LYS 69 -13.709 -8.223 -6.414 241 HZ1 LYS 69 HZ1 LYS 69 -15.059 -6.887 -7.519 242 HZ2 LYS 69 HZ2 LYS 69 -14.204 -7.175 -8.958 243 HZ3 LYS 69 HZ3 LYS 69 -13.760 -5.884 -7.945 244 H ASN 70 HN ASN 70 -10.088 -4.570 -1.858 245 HA ASN 70 HA ASN 70 -8.463 -3.180 -1.012 246 HB2 ASN 70 HB2 ASN 70 -7.182 -5.337 -1.519 247 HB3 ASN 70 HB1 ASN 70 -6.581 -4.510 -2.954 248 HD21 ASN 70 HD21 ASN 70 -4.388 -4.258 -2.236 249 HD22 ASN 70 HD22 ASN 70 -3.969 -3.292 -0.906 250 H GLU 71 HN GLU 71 -9.969 -1.875 -2.846 251 HA GLU 71 HA GLU 71 -8.275 -0.635 -4.851 252 HB2 GLU 71 HB2 GLU 71 -11.142 -0.192 -4.014 253 HB3 GLU 71 HB1 GLU 71 -10.339 0.773 -5.253 254 HG2 GLU 71 HG2 GLU 71 -9.936 -1.179 -6.612 255 HG3 GLU 71 HG1 GLU 71 -10.498 -2.248 -5.330 256 H ASP 72 HN ASP 72 -8.453 -0.289 -1.601 257 HA ASP 72 HA ASP 72 -7.213 2.306 -1.673 258 HB2 ASP 72 HB2 ASP 72 -8.811 3.379 -0.123 259 HB3 ASP 72 HB1 ASP 72 -9.558 3.003 -1.674 260 H ALA 73 HN ALA 73 -5.706 2.377 -0.097 261 HA ALA 73 HA ALA 73 -6.133 1.011 2.428 262 HB1 ALA 73 HB1 ALA 73 -3.661 -0.029 1.752 263 HB2 ALA 73 HB2 ALA 73 -4.598 -0.206 0.270 264 HB3 ALA 73 HB3 ALA 73 -5.185 -0.915 1.774 265 H SER 74 HN SER 74 -4.459 1.402 3.977 266 HA SER 74 HA SER 74 -3.313 4.055 3.711 267 HB2 SER 74 HB2 SER 74 -4.362 3.454 5.820 268 HB3 SER 74 HB1 SER 74 -3.292 2.066 5.993 269 HG SER 74 HG SER 74 -2.197 4.622 5.612 270 H LEU 75 HN LEU 75 -1.063 4.497 4.247 271 HA LEU 75 HA LEU 75 0.786 3.193 2.647 272 HB2 LEU 75 HB2 LEU 75 1.188 5.402 3.666 273 HB3 LEU 75 HB1 LEU 75 1.330 4.650 5.251 274 HG LEU 75 HG LEU 75 3.282 3.345 4.457 275 HD11 LEU 75 HD11 LEU 75 3.085 3.016 2.169 276 HD12 LEU 75 HD12 LEU 75 4.225 4.361 2.189 277 HD13 LEU 75 HD13 LEU 75 2.514 4.659 1.877 278 HD21 LEU 75 HD21 LEU 75 3.925 5.355 5.502 279 HD22 LEU 75 HD22 LEU 75 3.280 6.347 4.194 280 HD23 LEU 75 HD23 LEU 75 4.764 5.425 3.951 281 H ARG 76 HN ARG 76 0.146 2.656 6.117 282 HA ARG 76 HA ARG 76 2.103 0.687 6.507 283 HB2 ARG 76 HB2 ARG 76 -0.573 1.122 7.846 284 HB3 ARG 76 HB1 ARG 76 0.608 -0.066 8.400 285 HG2 ARG 76 HG2 ARG 76 2.256 1.659 8.799 286 HG3 ARG 76 HG1 ARG 76 1.225 2.880 8.054 287 HD2 ARG 76 HD2 ARG 76 0.448 1.293 10.512 288 HD3 ARG 76 HD1 ARG 76 1.171 2.899 10.570 289 HE ARG 76 HE ARG 76 -1.056 3.036 8.875 290 HH11 ARG 76 HH11 ARG 76 -3.026 3.832 9.674 291 HH12 ARG 76 HH12 ARG 76 -3.336 3.809 11.378 292 HH21 ARG 76 HH21 ARG 76 -0.276 2.388 12.184 293 HH22 ARG 76 HH22 ARG 76 -1.778 2.989 12.800 294 H LYS 77 HN LYS 77 -1.297 0.386 5.443 295 HA LYS 77 HA LYS 77 -1.247 -2.466 5.305 296 HB2 LYS 77 HB2 LYS 77 -3.008 -0.408 3.957 297 HB3 LYS 77 HB1 LYS 77 -3.267 -2.148 3.833 298 HG2 LYS 77 HG2 LYS 77 -3.451 -2.297 6.290 299 HG3 LYS 77 HG1 LYS 77 -3.201 -0.556 6.414 300 HD2 LYS 77 HD2 LYS 77 -5.234 -0.163 5.072 301 HD3 LYS 77 HD1 LYS 77 -5.488 -1.905 4.949 302 HE2 LYS 77 HE2 LYS 77 -5.679 -2.058 7.402 303 HE3 LYS 77 HE1 LYS 77 -5.418 -0.319 7.533 304 HZ1 LYS 77 HZ1 LYS 77 -7.810 -1.716 6.973 305 HZ2 LYS 77 HZ2 LYS 77 -7.442 -0.677 5.679 306 HZ3 LYS 77 HZ3 LYS 77 -7.585 -0.058 7.255 307 H LEU 78 HN LEU 78 -0.954 0.076 2.828 308 HA LEU 78 HA LEU 78 -0.644 -1.243 0.520 309 HB2 LEU 78 HB2 LEU 78 0.454 1.204 1.609 310 HB3 LEU 78 HB1 LEU 78 1.552 0.473 0.450 311 HG LEU 78 HG LEU 78 -0.291 0.338 -1.195 312 HD11 LEU 78 HD11 LEU 78 -2.332 0.231 -0.159 313 HD12 LEU 78 HD12 LEU 78 -2.275 1.976 -0.407 314 HD13 LEU 78 HD13 LEU 78 -1.835 1.295 1.156 315 HD21 LEU 78 HD21 LEU 78 0.665 2.306 -1.762 316 HD22 LEU 78 HD22 LEU 78 0.823 2.802 -0.078 317 HD23 LEU 78 HD23 LEU 78 -0.694 3.071 -0.937 318 H GLN 79 HN GLN 79 1.888 -0.952 2.988 319 HA GLN 79 HA GLN 79 3.878 -2.359 1.560 320 HB2 GLN 79 HB2 GLN 79 4.250 -0.954 3.622 321 HB3 GLN 79 HB1 GLN 79 3.574 -2.282 4.565 322 HG2 GLN 79 HG2 GLN 79 5.318 -3.797 3.661 323 HG3 GLN 79 HG1 GLN 79 6.009 -2.445 2.758 324 HE21 GLN 79 HE21 GLN 79 7.387 -3.956 4.883 325 HE22 GLN 79 HE22 GLN 79 7.729 -2.843 6.118 326 H ALA 80 HN ALA 80 1.398 -3.464 3.825 327 HA ALA 80 HA ALA 80 2.246 -6.218 3.709 328 HB1 ALA 80 HB1 ALA 80 1.144 -5.609 5.707 329 HB2 ALA 80 HB2 ALA 80 -0.046 -6.566 4.823 330 HB3 ALA 80 HB3 ALA 80 -0.166 -4.807 4.838 331 H ASP 81 HN ASP 81 0.485 -4.186 1.677 332 HA ASP 81 HA ASP 81 -1.126 -6.335 0.506 333 HB2 ASP 81 HB2 ASP 81 -0.960 -3.405 -0.208 334 HB3 ASP 81 HB1 ASP 81 -2.093 -4.563 -0.894 335 H GLY 82 HN GLY 82 2.003 -5.570 0.244 336 HA2 GLY 82 HA2 GLY 82 3.554 -6.271 -1.306 337 HA3 GLY 82 HA1 GLY 82 2.232 -6.772 -2.351 338 H ARG 83 HN ARG 83 1.548 -3.643 -1.555 339 HA ARG 83 HA ARG 83 2.152 -2.681 -4.150 340 HB2 ARG 83 HB2 ARG 83 1.296 -1.320 -1.603 341 HB3 ARG 83 HB1 ARG 83 1.576 -0.426 -3.100 342 HG2 ARG 83 HG2 ARG 83 -0.106 -2.870 -3.321 343 HG3 ARG 83 HG1 ARG 83 -0.830 -1.510 -2.471 344 HD2 ARG 83 HD2 ARG 83 -1.378 -1.364 -4.841 345 HD3 ARG 83 HD1 ARG 83 -0.295 -0.045 -4.415 346 HE ARG 83 HE ARG 83 1.333 -1.005 -5.781 347 HH11 ARG 83 HH11 ARG 83 2.033 -2.528 -7.314 348 HH12 ARG 83 HH12 ARG 83 1.126 -3.983 -7.558 349 HH21 ARG 83 HH21 ARG 83 -1.276 -3.199 -5.183 350 HH22 ARG 83 HH22 ARG 83 -0.748 -4.362 -6.352 351 H ILE 84 HN ILE 84 3.743 -2.262 -1.014 352 HA ILE 84 HA ILE 84 6.168 -1.418 -2.459 353 HB ILE 84 HB ILE 84 6.659 0.293 -0.790 354 HG12 ILE 84 HG12 ILE 84 3.932 -0.357 0.380 355 HG13 ILE 84 HG11 ILE 84 5.477 -0.775 1.126 356 HG21 ILE 84 HG21 ILE 84 5.412 1.851 -1.862 357 HG22 ILE 84 HG22 ILE 84 3.892 1.110 -1.363 358 HG23 ILE 84 HG23 ILE 84 4.758 0.492 -2.774 359 HD11 ILE 84 HD11 ILE 84 4.681 1.279 2.131 360 HD12 ILE 84 HD12 ILE 84 4.462 2.016 0.543 361 HD13 ILE 84 HD13 ILE 84 6.084 1.647 1.129 362 H THR 85 HN THR 85 8.078 -2.209 -1.577 363 HA THR 85 HA THR 85 7.728 -4.066 0.705 364 HB THR 85 HB THR 85 9.621 -5.338 -0.223 365 HG1 THR 85 HG1 THR 85 10.781 -3.997 -1.414 366 HG21 THR 85 HG21 THR 85 7.639 -6.284 -0.944 367 HG22 THR 85 HG22 THR 85 8.376 -5.874 -2.492 368 HG23 THR 85 HG23 THR 85 7.136 -4.828 -1.803 369 H GLU 86 HN GLU 86 9.050 -3.918 2.433 370 HA GLU 86 HA GLU 86 10.444 -1.528 2.941 371 HB2 GLU 86 HB2 GLU 86 9.540 -2.997 4.712 372 HB3 GLU 86 HB1 GLU 86 10.747 -4.217 4.305 373 HG2 GLU 86 HG2 GLU 86 12.553 -2.655 4.874 374 HG3 GLU 86 HG1 GLU 86 11.372 -1.392 5.218 375 H GLU 87 HN GLU 87 11.544 -4.726 1.889 376 HA GLU 87 HA GLU 87 14.314 -4.248 2.071 377 HB2 GLU 87 HB2 GLU 87 12.722 -6.070 0.253 378 HB3 GLU 87 HB1 GLU 87 14.481 -6.074 0.332 379 HG2 GLU 87 HG2 GLU 87 13.895 -7.767 1.846 380 HG3 GLU 87 HG1 GLU 87 14.140 -6.382 2.902 381 H GLN 88 HN GLN 88 12.027 -3.721 -0.618 382 HA GLN 88 HA GLN 88 14.004 -2.834 -2.461 383 HB2 GLN 88 HB2 GLN 88 11.744 -3.586 -3.149 384 HB3 GLN 88 HB1 GLN 88 11.060 -2.133 -2.411 385 HG2 GLN 88 HG2 GLN 88 12.362 -0.717 -3.919 386 HG3 GLN 88 HG1 GLN 88 13.147 -2.136 -4.610 387 HE21 GLN 88 HE21 GLN 88 11.896 -0.681 -6.495 388 HE22 GLN 88 HE22 GLN 88 10.400 -1.350 -6.936 389 H ALA 89 HN ALA 89 11.937 -1.136 -0.128 390 HA ALA 89 HA ALA 89 12.536 1.491 -0.929 391 HB1 ALA 89 HB1 ALA 89 11.236 2.052 0.831 392 HB2 ALA 89 HB2 ALA 89 12.234 1.147 1.966 393 HB3 ALA 89 HB3 ALA 89 10.983 0.317 1.037 394 H LYS 90 HN LYS 90 14.084 -0.556 1.543 395 HA LYS 90 HA LYS 90 16.000 1.234 2.447 396 HB2 LYS 90 HB2 LYS 90 15.671 -1.680 2.442 397 HB3 LYS 90 HB1 LYS 90 17.353 -1.157 2.498 398 HG2 LYS 90 HG2 LYS 90 16.396 -1.380 4.773 399 HG3 LYS 90 HG1 LYS 90 16.862 0.285 4.427 400 HD2 LYS 90 HD2 LYS 90 14.684 1.027 4.353 401 HD3 LYS 90 HD1 LYS 90 14.072 -0.509 3.746 402 HE2 LYS 90 HE2 LYS 90 13.334 -0.115 6.070 403 HE3 LYS 90 HE1 LYS 90 14.389 -1.525 5.969 404 HZ1 LYS 90 HZ1 LYS 90 15.321 -0.402 7.708 405 HZ2 LYS 90 HZ2 LYS 90 14.929 1.132 7.092 406 HZ3 LYS 90 HZ3 LYS 90 16.221 0.252 6.428 407 H ALA 91 HN ALA 91 16.028 -0.741 -0.480 408 HA ALA 91 HA ALA 91 18.733 -0.386 -1.178 409 HB1 ALA 91 HB1 ALA 91 17.028 -0.393 -3.508 410 HB2 ALA 91 HB2 ALA 91 16.462 -1.579 -2.333 411 HB3 ALA 91 HB3 ALA 91 18.122 -1.649 -2.926 412 H TYR 92 HN TYR 92 15.864 1.590 -1.799 413 HA TYR 92 HA TYR 92 17.033 3.472 -3.534 414 HB2 TYR 92 HB2 TYR 92 14.616 3.348 -3.221 415 HB3 TYR 92 HB1 TYR 92 14.789 3.831 -1.533 416 HD1 TYR 92 HD1 TYR 92 15.402 4.957 -5.036 417 HD2 TYR 92 HD2 TYR 92 14.959 6.114 -0.923 418 HE1 TYR 92 HE1 TYR 92 15.373 7.343 -5.711 419 HE2 TYR 92 HE2 TYR 92 14.928 8.500 -1.598 420 HH TYR 92 HH TYR 92 15.801 9.863 -3.560 421 H LYS 93 HN LYS 93 16.670 3.483 0.003 422 HA LYS 93 HA LYS 93 17.872 5.973 0.498 423 HB2 LYS 93 HB2 LYS 93 16.584 4.708 2.189 424 HB3 LYS 93 HB1 LYS 93 17.876 3.509 2.260 425 HG2 LYS 93 HG2 LYS 93 19.460 5.228 3.017 426 HG3 LYS 93 HG1 LYS 93 18.202 6.457 2.897 427 HD2 LYS 93 HD2 LYS 93 16.863 5.234 4.585 428 HD3 LYS 93 HD1 LYS 93 18.151 4.035 4.722 429 HE2 LYS 93 HE2 LYS 93 18.486 6.998 5.274 430 HE3 LYS 93 HE1 LYS 93 18.274 5.762 6.513 431 HZ1 LYS 93 HZ1 LYS 93 20.628 6.401 6.021 432 HZ2 LYS 93 HZ2 LYS 93 20.444 5.675 4.496 433 HZ3 LYS 93 HZ3 LYS 93 20.297 4.740 5.907 434 H GLU 94 HN GLU 94 19.254 2.735 0.137 435 HA GLU 94 HA GLU 94 21.873 3.293 0.955 436 HB2 GLU 94 HB2 GLU 94 20.965 1.017 0.551 437 HB3 GLU 94 HB1 GLU 94 20.976 1.345 -1.181 438 HG2 GLU 94 HG2 GLU 94 23.407 1.703 -1.113 439 HG3 GLU 94 HG1 GLU 94 23.410 1.417 0.626 440 H TYR 95 HN TYR 95 20.274 3.712 -2.175 441 HA TYR 95 HA TYR 95 22.520 4.298 -3.745 442 HB2 TYR 95 HB2 TYR 95 20.305 3.949 -4.728 443 HB3 TYR 95 HB1 TYR 95 19.713 5.420 -3.955 444 HD1 TYR 95 HD1 TYR 95 22.259 4.142 -6.366 445 HD2 TYR 95 HD2 TYR 95 20.037 7.538 -4.961 446 HE1 TYR 95 HE1 TYR 95 23.109 5.484 -8.269 447 HE2 TYR 95 HE2 TYR 95 20.886 8.881 -6.866 448 HH TYR 95 HH TYR 95 23.478 8.092 -8.659 449 H ASN 96 HN ASN 96 20.477 6.394 -1.763 450 HA ASN 96 HA ASN 96 21.738 8.850 -2.388 451 HB2 ASN 96 HB2 ASN 96 19.573 8.717 -1.215 452 HB3 ASN 96 HB1 ASN 96 20.379 8.014 0.187 453 HD21 ASN 96 HD21 ASN 96 20.116 10.997 -1.751 454 HD22 ASN 96 HD22 ASN 96 20.751 12.021 -0.556 455 H ASP 97 HN ASP 97 22.325 6.422 0.096 456 HA ASP 97 HA ASP 97 24.338 7.719 1.541 457 HB2 ASP 97 HB2 ASP 97 23.151 5.602 2.193 458 HB3 ASP 97 HB1 ASP 97 24.175 4.745 1.043 459 H LYS 98 HN LYS 98 24.518 5.862 -1.454 460 HA LYS 98 HA LYS 98 27.320 5.549 -1.565 461 HB2 LYS 98 HB2 LYS 98 25.265 5.752 -3.774 462 HB3 LYS 98 HB1 LYS 98 26.959 5.349 -4.048 463 HG2 LYS 98 HG2 LYS 98 26.741 3.402 -2.545 464 HG3 LYS 98 HG1 LYS 98 25.042 3.800 -2.282 465 HD2 LYS 98 HD2 LYS 98 24.594 3.529 -4.689 466 HD3 LYS 98 HD1 LYS 98 26.293 3.144 -4.966 467 HE2 LYS 98 HE2 LYS 98 26.091 1.178 -3.489 468 HE3 LYS 98 HE1 LYS 98 24.392 1.560 -3.215 469 HZ1 LYS 98 HZ1 LYS 98 25.622 0.266 -5.445 470 HZ2 LYS 98 HZ2 LYS 98 24.644 1.571 -5.925 471 HZ3 LYS 98 HZ3 LYS 98 23.989 0.312 -4.989 472 H ASN 99 HN ASN 99 25.549 8.350 -1.522 473 HA ASN 99 HA ASN 99 26.829 9.967 -3.462 474 HB2 ASN 99 HB2 ASN 99 24.757 10.620 -2.256 475 HB3 ASN 99 HB1 ASN 99 25.706 10.827 -0.785 476 HD21 ASN 99 HD21 ASN 99 24.332 13.049 -1.855 477 HD22 ASN 99 HD22 ASN 99 25.459 14.149 -2.490 478 H GLY 100 HN GLY 100 27.704 9.031 -0.183 479 HA2 GLY 100 HA2 GLY 100 30.354 10.278 -0.601 480 HA3 GLY 100 HA1 GLY 100 29.499 10.476 0.926 481 H GLY 101 HN GLY 101 32.100 9.246 0.458 482 HA2 GLY 101 HA2 GLY 101 31.672 6.385 0.875 483 HA3 GLY 101 HA1 GLY 101 33.226 7.195 0.703 484 H ALA 102 HN ALA 102 31.535 9.054 2.802 485 HA ALA 102 HA ALA 102 33.071 8.284 5.071 486 HB1 ALA 102 HB1 ALA 102 31.515 10.481 4.353 487 HB2 ALA 102 HB2 ALA 102 32.340 10.247 5.893 488 HB3 ALA 102 HB3 ALA 102 30.651 9.769 5.715 489 H ASN 103 HN ASN 103 29.790 7.686 4.013 490 HA ASN 103 HA ASN 103 28.896 6.365 6.385 491 HB2 ASN 103 HB2 ASN 103 27.841 6.405 3.559 492 HB3 ASN 103 HB1 ASN 103 27.034 5.573 4.886 493 HD21 ASN 103 HD21 ASN 103 26.971 7.194 6.985 494 HD22 ASN 103 HD22 ASN 103 26.366 8.736 6.619 495 H ARG 104 HN ARG 104 30.355 5.269 3.363 496 HA ARG 104 HA ARG 104 31.028 2.727 4.585 497 HB2 ARG 104 HB2 ARG 104 29.926 1.356 2.872 498 HB3 ARG 104 HB1 ARG 104 28.744 2.296 3.782 499 HG2 ARG 104 HG2 ARG 104 28.717 3.992 1.975 500 HG3 ARG 104 HG1 ARG 104 29.865 3.017 1.055 501 HD2 ARG 104 HD2 ARG 104 27.127 2.079 1.955 502 HD3 ARG 104 HD1 ARG 104 27.516 2.636 0.332 503 HE ARG 104 HE ARG 104 29.330 0.614 0.890 504 HH11 ARG 104 HH11 ARG 104 28.923 -1.536 0.270 505 HH12 ARG 104 HH12 ARG 104 27.295 -2.058 -0.006 506 HH21 ARG 104 HH21 ARG 104 25.898 1.029 0.729 507 HH22 ARG 104 HH22 ARG 104 25.583 -0.606 0.255 508 H LYS 105 HN LYS 105 32.139 1.289 2.791 509 HA LYS 105 HA LYS 105 34.256 2.902 1.706 510 HB2 LYS 105 HB2 LYS 105 35.201 0.763 0.970 511 HB3 LYS 105 HB1 LYS 105 34.692 0.668 2.655 512 HG2 LYS 105 HG2 LYS 105 32.573 -0.401 1.947 513 HG3 LYS 105 HG1 LYS 105 33.106 -0.337 0.267 514 HD2 LYS 105 HD2 LYS 105 35.060 -1.733 0.830 515 HD3 LYS 105 HD1 LYS 105 34.522 -1.810 2.508 516 HE2 LYS 105 HE2 LYS 105 32.428 -2.897 1.794 517 HE3 LYS 105 HE1 LYS 105 32.957 -2.817 0.113 518 HZ1 LYS 105 HZ1 LYS 105 35.031 -3.971 1.527 519 HZ2 LYS 105 HZ2 LYS 105 33.977 -4.739 0.439 520 HZ3 LYS 105 HZ3 LYS 105 33.621 -4.720 2.100 521 H VAL 106 HN VAL 106 34.963 2.013 -0.643 522 HA VAL 106 HA VAL 106 33.307 3.287 -2.490 523 HB VAL 106 HB VAL 106 35.698 2.779 -2.866 524 HG11 VAL 106 HG11 VAL 106 36.516 0.627 -3.050 525 HG12 VAL 106 HG12 VAL 106 34.993 -0.012 -3.665 526 HG13 VAL 106 HG13 VAL 106 35.179 0.322 -1.942 527 HG21 VAL 106 HG21 VAL 106 35.496 2.310 -5.216 528 HG22 VAL 106 HG22 VAL 106 34.038 3.191 -4.756 529 HG23 VAL 106 HG23 VAL 106 33.980 1.441 -4.974 530 H ASN 107 HN ASN 107 33.476 -0.121 -1.544 531 HA ASN 107 HA ASN 107 32.011 -1.859 -1.847 532 HB2 ASN 107 HB2 ASN 107 30.380 0.043 -1.197 533 HB3 ASN 107 HB1 ASN 107 29.986 0.086 -2.913 534 HD21 ASN 107 HD21 ASN 107 27.861 -0.839 -2.724 535 HD22 ASN 107 HD22 ASN 107 27.607 -2.436 -2.210 536 H ASP 108 HN ASP 108 31.072 0.375 -4.467 537 HA ASP 108 HA ASP 108 31.095 -1.761 -6.401 538 HB2 ASP 108 HB2 ASP 108 29.486 0.090 -6.563 539 HB3 ASP 108 HB1 ASP 108 30.813 1.229 -6.782 Start of MODEL 13 1 HA THR 40 HA THR 40 -41.542 -18.988 6.290 2 HB THR 40 HB THR 40 -40.232 -17.877 8.724 3 HG1 THR 40 HG1 THR 40 -39.275 -20.009 7.478 4 HG21 THR 40 HG21 THR 40 -41.844 -19.316 9.827 5 HG22 THR 40 HG22 THR 40 -42.218 -20.126 8.306 6 HG23 THR 40 HG23 THR 40 -42.669 -18.437 8.539 7 H LYS 41 HN LYS 41 -42.981 -17.281 6.428 8 HA LYS 41 HA LYS 41 -41.903 -14.667 5.718 9 HB2 LYS 41 HB2 LYS 41 -44.738 -15.718 5.855 10 HB3 LYS 41 HB1 LYS 41 -44.292 -14.097 5.318 11 HG2 LYS 41 HG2 LYS 41 -42.897 -15.074 3.528 12 HG3 LYS 41 HG1 LYS 41 -43.354 -16.693 4.059 13 HD2 LYS 41 HD2 LYS 41 -45.734 -16.151 3.616 14 HD3 LYS 41 HD1 LYS 41 -45.249 -14.558 3.034 15 HE2 LYS 41 HE2 LYS 41 -44.320 -17.194 1.856 16 HE3 LYS 41 HE1 LYS 41 -45.574 -16.163 1.166 17 HZ1 LYS 41 HZ1 LYS 41 -44.029 -14.915 0.222 18 HZ2 LYS 41 HZ2 LYS 41 -42.831 -15.980 0.788 19 HZ3 LYS 41 HZ3 LYS 41 -43.276 -14.626 1.714 20 H GLN 42 HN GLN 42 -42.279 -16.166 8.534 21 HA GLN 42 HA GLN 42 -43.855 -14.493 10.144 22 HB2 GLN 42 HB2 GLN 42 -42.960 -16.720 10.826 23 HB3 GLN 42 HB1 GLN 42 -41.357 -15.995 10.960 24 HG2 GLN 42 HG2 GLN 42 -42.178 -14.426 12.647 25 HG3 GLN 42 HG1 GLN 42 -43.809 -15.072 12.483 26 HE21 GLN 42 HE21 GLN 42 -43.010 -15.297 15.012 27 HE22 GLN 42 HE22 GLN 42 -42.441 -16.851 15.390 28 H LYS 43 HN LYS 43 -40.491 -14.268 9.116 29 HA LYS 43 HA LYS 43 -38.934 -12.570 9.305 30 HB2 LYS 43 HB2 LYS 43 -41.461 -10.904 9.436 31 HB3 LYS 43 HB1 LYS 43 -39.841 -10.295 9.092 32 HG2 LYS 43 HG2 LYS 43 -39.719 -11.423 7.023 33 HG3 LYS 43 HG1 LYS 43 -41.026 -12.525 7.446 34 HD2 LYS 43 HD2 LYS 43 -41.893 -10.922 5.856 35 HD3 LYS 43 HD1 LYS 43 -42.600 -10.558 7.427 36 HE2 LYS 43 HE2 LYS 43 -41.849 -8.501 6.297 37 HE3 LYS 43 HE1 LYS 43 -40.922 -8.773 7.768 38 HZ1 LYS 43 HZ1 LYS 43 -39.069 -9.424 6.585 39 HZ2 LYS 43 HZ2 LYS 43 -39.697 -8.195 5.594 40 HZ3 LYS 43 HZ3 LYS 43 -39.955 -9.826 5.194 41 H GLU 44 HN GLU 44 -39.011 -13.793 11.648 42 HA GLU 44 HA GLU 44 -39.890 -12.379 13.898 43 HB2 GLU 44 HB2 GLU 44 -37.714 -14.397 13.427 44 HB3 GLU 44 HB1 GLU 44 -37.868 -13.621 15.002 45 HG2 GLU 44 HG2 GLU 44 -40.135 -15.054 13.594 46 HG3 GLU 44 HG1 GLU 44 -39.115 -15.793 14.824 47 H ALA 45 HN ALA 45 -36.498 -12.770 13.993 48 HA ALA 45 HA ALA 45 -36.144 -9.943 14.556 49 HB1 ALA 45 HB1 ALA 45 -34.063 -10.527 15.461 50 HB2 ALA 45 HB2 ALA 45 -33.935 -11.980 14.469 51 HB3 ALA 45 HB3 ALA 45 -35.068 -11.931 15.820 52 H VAL 46 HN VAL 46 -36.198 -11.729 11.776 53 HA VAL 46 HA VAL 46 -33.889 -10.740 10.421 54 HB VAL 46 HB VAL 46 -36.501 -11.846 9.367 55 HG11 VAL 46 HG11 VAL 46 -34.594 -12.257 7.434 56 HG12 VAL 46 HG12 VAL 46 -34.152 -10.659 8.038 57 HG13 VAL 46 HG13 VAL 46 -35.775 -10.947 7.409 58 HG21 VAL 46 HG21 VAL 46 -34.984 -13.836 8.921 59 HG22 VAL 46 HG22 VAL 46 -35.297 -13.508 10.625 60 HG23 VAL 46 HG23 VAL 46 -33.762 -13.027 9.902 61 H ASN 47 HN ASN 47 -33.531 -8.811 9.554 62 HA ASN 47 HA ASN 47 -35.710 -6.852 9.496 63 HB2 ASN 47 HB2 ASN 47 -33.442 -6.396 10.577 64 HB3 ASN 47 HB1 ASN 47 -32.794 -6.326 8.938 65 HD21 ASN 47 HD21 ASN 47 -32.387 -4.037 8.906 66 HD22 ASN 47 HD22 ASN 47 -33.636 -2.891 8.982 67 H ASP 48 HN ASP 48 -36.347 -5.764 7.670 68 HA ASP 48 HA ASP 48 -36.196 -7.110 5.193 69 HB2 ASP 48 HB2 ASP 48 -37.066 -4.316 5.938 70 HB3 ASP 48 HB1 ASP 48 -37.176 -4.945 4.295 71 H LYS 49 HN LYS 49 -35.241 -6.379 3.204 72 HA LYS 49 HA LYS 49 -32.509 -5.782 3.396 73 HB2 LYS 49 HB2 LYS 49 -33.633 -6.896 1.448 74 HB3 LYS 49 HB1 LYS 49 -34.303 -5.332 0.995 75 HG2 LYS 49 HG2 LYS 49 -32.386 -5.409 -0.329 76 HG3 LYS 49 HG1 LYS 49 -31.780 -4.551 1.083 77 HD2 LYS 49 HD2 LYS 49 -30.899 -6.661 2.005 78 HD3 LYS 49 HD1 LYS 49 -31.534 -7.537 0.612 79 HE2 LYS 49 HE2 LYS 49 -29.483 -5.306 0.485 80 HE3 LYS 49 HE1 LYS 49 -29.123 -7.027 0.351 81 HZ1 LYS 49 HZ1 LYS 49 -29.812 -5.333 -1.693 82 HZ2 LYS 49 HZ2 LYS 49 -31.210 -6.261 -1.423 83 HZ3 LYS 49 HZ3 LYS 49 -29.732 -7.025 -1.766 84 H GLY 50 HN GLY 50 -35.308 -3.695 2.765 85 HA2 GLY 50 HA2 GLY 50 -35.470 -1.425 3.348 86 HA3 GLY 50 HA1 GLY 50 -33.726 -1.384 3.589 87 H LYS 51 HN LYS 51 -35.605 -2.451 0.761 88 HA LYS 51 HA LYS 51 -33.906 -1.210 -1.115 89 HB2 LYS 51 HB2 LYS 51 -36.773 -2.150 -1.321 90 HB3 LYS 51 HB1 LYS 51 -35.848 -1.552 -2.699 91 HG2 LYS 51 HG2 LYS 51 -34.137 -3.288 -2.310 92 HG3 LYS 51 HG1 LYS 51 -35.064 -3.891 -0.934 93 HD2 LYS 51 HD2 LYS 51 -36.964 -4.390 -2.424 94 HD3 LYS 51 HD1 LYS 51 -36.046 -3.782 -3.802 95 HE2 LYS 51 HE2 LYS 51 -34.329 -5.512 -3.431 96 HE3 LYS 51 HE1 LYS 51 -35.238 -6.120 -2.047 97 HZ1 LYS 51 HZ1 LYS 51 -35.800 -6.369 -4.897 98 HZ2 LYS 51 HZ2 LYS 51 -37.137 -6.170 -3.868 99 HZ3 LYS 51 HZ3 LYS 51 -36.071 -7.472 -3.637 100 H ALA 52 HN ALA 52 -36.879 -0.145 0.465 101 HA ALA 52 HA ALA 52 -37.328 2.203 -1.024 102 HB1 ALA 52 HB1 ALA 52 -38.903 2.743 0.589 103 HB2 ALA 52 HB2 ALA 52 -37.918 2.113 1.911 104 HB3 ALA 52 HB3 ALA 52 -38.766 1.002 0.834 105 H ALA 53 HN ALA 53 -35.303 1.529 1.784 106 HA ALA 53 HA ALA 53 -34.576 4.147 2.463 107 HB1 ALA 53 HB1 ALA 53 -32.517 2.003 2.648 108 HB2 ALA 53 HB2 ALA 53 -34.021 1.761 3.534 109 HB3 ALA 53 HB3 ALA 53 -33.027 3.182 3.856 110 H VAL 54 HN VAL 54 -32.554 5.266 2.042 111 HA VAL 54 HA VAL 54 -32.028 5.620 -0.680 112 HB VAL 54 HB VAL 54 -30.354 6.314 1.742 113 HG11 VAL 54 HG11 VAL 54 -29.362 8.007 0.087 114 HG12 VAL 54 HG12 VAL 54 -30.059 7.004 -1.187 115 HG13 VAL 54 HG13 VAL 54 -28.844 6.332 -0.098 116 HG21 VAL 54 HG21 VAL 54 -31.996 8.151 -0.004 117 HG22 VAL 54 HG22 VAL 54 -31.402 8.434 1.632 118 HG23 VAL 54 HG23 VAL 54 -32.721 7.294 1.357 119 H VAL 55 HN VAL 55 -30.790 4.612 -2.101 120 HA VAL 55 HA VAL 55 -29.355 2.222 -1.354 121 HB VAL 55 HB VAL 55 -29.740 3.609 -4.013 122 HG11 VAL 55 HG11 VAL 55 -28.288 1.088 -3.214 123 HG12 VAL 55 HG12 VAL 55 -27.743 2.382 -4.282 124 HG13 VAL 55 HG13 VAL 55 -28.990 1.259 -4.823 125 HG21 VAL 55 HG21 VAL 55 -30.907 1.022 -2.945 126 HG22 VAL 55 HG22 VAL 55 -31.358 1.865 -4.426 127 HG23 VAL 55 HG23 VAL 55 -31.744 2.572 -2.858 128 H LYS 56 HN LYS 56 -28.564 5.536 -2.003 129 HA LYS 56 HA LYS 56 -25.915 5.304 -2.856 130 HB2 LYS 56 HB2 LYS 56 -27.277 7.412 -2.797 131 HB3 LYS 56 HB1 LYS 56 -27.035 7.464 -1.055 132 HG2 LYS 56 HG2 LYS 56 -25.302 8.835 -1.795 133 HG3 LYS 56 HG1 LYS 56 -24.478 7.282 -1.696 134 HD2 LYS 56 HD2 LYS 56 -24.838 6.914 -4.101 135 HD3 LYS 56 HD1 LYS 56 -25.718 8.438 -4.212 136 HE2 LYS 56 HE2 LYS 56 -22.826 8.156 -3.350 137 HE3 LYS 56 HE1 LYS 56 -23.363 8.682 -4.944 138 HZ1 LYS 56 HZ1 LYS 56 -24.756 10.310 -3.344 139 HZ2 LYS 56 HZ2 LYS 56 -23.251 10.707 -4.024 140 HZ3 LYS 56 HZ3 LYS 56 -23.339 10.119 -2.432 141 H VAL 57 HN VAL 57 -27.228 5.396 0.461 142 HA VAL 57 HA VAL 57 -24.729 5.438 1.781 143 HB VAL 57 HB VAL 57 -26.997 5.885 2.819 144 HG11 VAL 57 HG11 VAL 57 -27.166 2.939 3.332 145 HG12 VAL 57 HG12 VAL 57 -27.791 3.565 1.809 146 HG13 VAL 57 HG13 VAL 57 -28.448 4.151 3.335 147 HG21 VAL 57 HG21 VAL 57 -26.204 4.193 4.852 148 HG22 VAL 57 HG22 VAL 57 -25.546 5.803 4.564 149 HG23 VAL 57 HG23 VAL 57 -24.719 4.384 3.920 150 H VAL 58 HN VAL 58 -26.703 2.802 0.525 151 HA VAL 58 HA VAL 58 -25.292 0.657 1.714 152 HB VAL 58 HB VAL 58 -26.923 0.822 -0.826 153 HG11 VAL 58 HG11 VAL 58 -25.513 -1.046 -1.184 154 HG12 VAL 58 HG12 VAL 58 -26.973 -1.737 -0.476 155 HG13 VAL 58 HG13 VAL 58 -25.538 -1.497 0.520 156 HG21 VAL 58 HG21 VAL 58 -28.558 -0.429 0.601 157 HG22 VAL 58 HG22 VAL 58 -28.198 1.182 1.223 158 HG23 VAL 58 HG23 VAL 58 -27.459 -0.236 1.966 159 H GLU 59 HN GLU 59 -24.876 2.370 -1.355 160 HA GLU 59 HA GLU 59 -22.894 0.725 -2.465 161 HB2 GLU 59 HB2 GLU 59 -23.440 3.680 -2.787 162 HB3 GLU 59 HB1 GLU 59 -22.238 2.811 -3.742 163 HG2 GLU 59 HG2 GLU 59 -23.933 1.319 -4.626 164 HG3 GLU 59 HG1 GLU 59 -25.155 2.012 -3.561 165 H SER 60 HN SER 60 -22.603 3.494 -0.240 166 HA SER 60 HA SER 60 -19.769 3.616 -0.279 167 HB2 SER 60 HB2 SER 60 -20.000 4.917 1.782 168 HB3 SER 60 HB1 SER 60 -21.195 5.435 0.597 169 HG SER 60 HG SER 60 -21.507 4.067 2.999 170 H GLN 61 HN GLN 61 -22.092 1.778 1.617 171 HA GLN 61 HA GLN 61 -20.295 0.715 3.527 172 HB2 GLN 61 HB2 GLN 61 -22.948 -0.279 2.475 173 HB3 GLN 61 HB1 GLN 61 -22.071 -1.065 3.788 174 HG2 GLN 61 HG2 GLN 61 -22.173 0.931 5.144 175 HG3 GLN 61 HG1 GLN 61 -22.839 1.865 3.806 176 HE21 GLN 61 HE21 GLN 61 -24.086 1.323 6.484 177 HE22 GLN 61 HE22 GLN 61 -25.564 0.559 6.145 178 H ALA 62 HN ALA 62 -21.285 -0.345 0.314 179 HA ALA 62 HA ALA 62 -20.170 -2.923 0.349 180 HB1 ALA 62 HB1 ALA 62 -20.914 -0.968 -1.784 181 HB2 ALA 62 HB2 ALA 62 -21.526 -2.596 -1.488 182 HB3 ALA 62 HB3 ALA 62 -19.941 -2.370 -2.229 183 H GLU 63 HN GLU 63 -18.736 0.225 -0.429 184 HA GLU 63 HA GLU 63 -16.278 -0.709 -1.429 185 HB2 GLU 63 HB2 GLU 63 -17.034 1.638 -1.620 186 HB3 GLU 63 HB1 GLU 63 -16.830 1.837 0.120 187 HG2 GLU 63 HG2 GLU 63 -14.434 1.353 -0.077 188 HG3 GLU 63 HG1 GLU 63 -14.617 1.070 -1.807 189 H LEU 64 HN LEU 64 -17.308 0.085 1.880 190 HA LEU 64 HA LEU 64 -14.825 -0.362 3.137 191 HB2 LEU 64 HB2 LEU 64 -16.709 0.806 4.220 192 HB3 LEU 64 HB1 LEU 64 -17.633 -0.693 4.231 193 HG LEU 64 HG LEU 64 -15.913 -1.743 5.669 194 HD11 LEU 64 HD11 LEU 64 -14.350 0.155 6.728 195 HD12 LEU 64 HD12 LEU 64 -14.555 0.860 5.124 196 HD13 LEU 64 HD13 LEU 64 -13.863 -0.753 5.295 197 HD21 LEU 64 HD21 LEU 64 -16.235 -0.077 7.654 198 HD22 LEU 64 HD22 LEU 64 -17.663 -0.821 6.933 199 HD23 LEU 64 HD23 LEU 64 -17.222 0.833 6.510 200 H TYR 65 HN TYR 65 -17.570 -2.491 2.460 201 HA TYR 65 HA TYR 65 -16.638 -4.786 3.785 202 HB2 TYR 65 HB2 TYR 65 -18.941 -4.589 3.006 203 HB3 TYR 65 HB1 TYR 65 -18.392 -4.564 1.329 204 HD1 TYR 65 HD1 TYR 65 -18.437 -6.644 4.425 205 HD2 TYR 65 HD2 TYR 65 -17.935 -6.577 0.160 206 HE1 TYR 65 HE1 TYR 65 -18.439 -9.123 4.387 207 HE2 TYR 65 HE2 TYR 65 -17.937 -9.056 0.121 208 HH TYR 65 HH TYR 65 -18.664 -10.914 1.445 209 H SER 66 HN SER 66 -16.218 -3.739 0.414 210 HA SER 66 HA SER 66 -14.835 -6.003 -0.504 211 HB2 SER 66 HB2 SER 66 -14.115 -4.584 -2.356 212 HB3 SER 66 HB1 SER 66 -15.810 -4.286 -1.983 213 HG SER 66 HG SER 66 -15.318 -2.334 -1.332 214 H LEU 67 HN LEU 67 -13.758 -3.339 1.455 215 HA LEU 67 HA LEU 67 -11.001 -3.424 0.878 216 HB2 LEU 67 HB2 LEU 67 -12.054 -1.617 2.198 217 HB3 LEU 67 HB1 LEU 67 -12.363 -2.757 3.502 218 HG LEU 67 HG LEU 67 -9.933 -3.149 3.743 219 HD11 LEU 67 HD11 LEU 67 -8.863 -2.771 1.736 220 HD12 LEU 67 HD12 LEU 67 -8.588 -1.200 2.489 221 HD13 LEU 67 HD13 LEU 67 -9.895 -1.402 1.322 222 HD21 LEU 67 HD21 LEU 67 -9.381 -0.659 4.357 223 HD22 LEU 67 HD22 LEU 67 -10.674 -1.491 5.221 224 HD23 LEU 67 HD23 LEU 67 -11.064 -0.368 3.918 225 H GLU 68 HN GLU 68 -12.978 -5.199 3.220 226 HA GLU 68 HA GLU 68 -10.891 -6.615 4.484 227 HB2 GLU 68 HB2 GLU 68 -13.194 -6.458 5.380 228 HB3 GLU 68 HB1 GLU 68 -13.764 -7.473 4.056 229 HG2 GLU 68 HG2 GLU 68 -12.324 -9.310 4.810 230 HG3 GLU 68 HG1 GLU 68 -11.674 -8.294 6.096 231 H LYS 69 HN LYS 69 -12.839 -7.315 1.619 232 HA LYS 69 HA LYS 69 -11.816 -9.938 1.189 233 HB2 LYS 69 HB2 LYS 69 -13.142 -7.964 -0.683 234 HB3 LYS 69 HB1 LYS 69 -12.760 -9.628 -1.118 235 HG2 LYS 69 HG2 LYS 69 -14.369 -9.051 1.360 236 HG3 LYS 69 HG1 LYS 69 -15.155 -9.066 -0.216 237 HD2 LYS 69 HD2 LYS 69 -14.230 -11.366 -0.601 238 HD3 LYS 69 HD1 LYS 69 -13.604 -11.350 1.046 239 HE2 LYS 69 HE2 LYS 69 -15.880 -11.028 1.924 240 HE3 LYS 69 HE1 LYS 69 -16.517 -11.030 0.280 241 HZ1 LYS 69 HZ1 LYS 69 -14.853 -13.294 0.812 242 HZ2 LYS 69 HZ2 LYS 69 -16.434 -13.234 0.193 243 HZ3 LYS 69 HZ3 LYS 69 -16.175 -13.216 1.871 244 H ASN 70 HN ASN 70 -10.611 -6.768 0.533 245 HA ASN 70 HA ASN 70 -8.706 -6.009 -0.506 246 HB2 ASN 70 HB2 ASN 70 -7.809 -7.728 1.176 247 HB3 ASN 70 HB1 ASN 70 -7.631 -8.808 -0.206 248 HD21 ASN 70 HD21 ASN 70 -5.307 -8.772 -0.266 249 HD22 ASN 70 HD22 ASN 70 -4.430 -7.367 -0.639 250 H GLU 71 HN GLU 71 -10.698 -6.707 -2.271 251 HA GLU 71 HA GLU 71 -9.957 -8.527 -4.295 252 HB2 GLU 71 HB2 GLU 71 -11.717 -6.071 -4.336 253 HB3 GLU 71 HB1 GLU 71 -11.532 -7.151 -5.719 254 HG2 GLU 71 HG2 GLU 71 -12.371 -9.030 -4.437 255 HG3 GLU 71 HG1 GLU 71 -12.406 -8.062 -2.965 256 H ASP 72 HN ASP 72 -9.239 -5.106 -3.806 257 HA ASP 72 HA ASP 72 -7.585 -5.105 -6.248 258 HB2 ASP 72 HB2 ASP 72 -9.234 -3.284 -6.046 259 HB3 ASP 72 HB1 ASP 72 -8.500 -2.794 -4.519 260 H ALA 73 HN ALA 73 -5.592 -5.875 -5.766 261 HA ALA 73 HA ALA 73 -4.335 -5.043 -3.238 262 HB1 ALA 73 HB1 ALA 73 -4.454 -7.489 -3.951 263 HB2 ALA 73 HB2 ALA 73 -2.867 -6.883 -3.480 264 HB3 ALA 73 HB3 ALA 73 -3.265 -7.078 -5.186 265 H SER 74 HN SER 74 -3.510 -3.043 -3.574 266 HA SER 74 HA SER 74 -2.141 -2.286 -5.986 267 HB2 SER 74 HB2 SER 74 -1.737 -0.189 -4.878 268 HB3 SER 74 HB1 SER 74 -3.374 -0.697 -4.476 269 HG SER 74 HG SER 74 -1.049 -1.112 -2.892 270 H LEU 75 HN LEU 75 0.132 -1.190 -5.637 271 HA LEU 75 HA LEU 75 2.002 -3.242 -5.211 272 HB2 LEU 75 HB2 LEU 75 2.534 -1.217 -6.509 273 HB3 LEU 75 HB1 LEU 75 2.421 -0.242 -5.046 274 HG LEU 75 HG LEU 75 4.300 -1.507 -4.050 275 HD11 LEU 75 HD11 LEU 75 3.956 -3.083 -6.575 276 HD12 LEU 75 HD12 LEU 75 4.316 -3.649 -4.944 277 HD13 LEU 75 HD13 LEU 75 5.582 -2.901 -5.916 278 HD21 LEU 75 HD21 LEU 75 5.508 0.142 -4.998 279 HD22 LEU 75 HD22 LEU 75 4.420 0.197 -6.386 280 HD23 LEU 75 HD23 LEU 75 5.783 -0.922 -6.378 281 H ARG 76 HN ARG 76 1.075 -0.527 -3.122 282 HA ARG 76 HA ARG 76 2.661 -1.080 -0.929 283 HB2 ARG 76 HB2 ARG 76 1.220 0.915 -1.092 284 HB3 ARG 76 HB1 ARG 76 -0.207 -0.100 -0.885 285 HG2 ARG 76 HG2 ARG 76 0.534 -0.771 1.337 286 HG3 ARG 76 HG1 ARG 76 2.048 0.110 1.130 287 HD2 ARG 76 HD2 ARG 76 0.830 2.225 0.978 288 HD3 ARG 76 HD1 ARG 76 -0.707 1.372 1.090 289 HE ARG 76 HE ARG 76 -0.361 1.139 3.385 290 HH11 ARG 76 HH11 ARG 76 0.765 1.597 5.303 291 HH12 ARG 76 HH12 ARG 76 2.385 2.205 5.225 292 HH21 ARG 76 HH21 ARG 76 2.507 2.193 1.760 293 HH22 ARG 76 HH22 ARG 76 3.371 2.542 3.221 294 H LYS 77 HN LYS 77 -0.525 -2.467 -1.747 295 HA LYS 77 HA LYS 77 -0.783 -4.086 0.566 296 HB2 LYS 77 HB2 LYS 77 -1.829 -4.594 -2.238 297 HB3 LYS 77 HB1 LYS 77 -2.413 -5.363 -0.766 298 HG2 LYS 77 HG2 LYS 77 -2.489 -2.368 -1.212 299 HG3 LYS 77 HG1 LYS 77 -3.831 -3.434 -1.609 300 HD2 LYS 77 HD2 LYS 77 -3.829 -4.208 0.785 301 HD3 LYS 77 HD1 LYS 77 -2.633 -2.961 1.134 302 HE2 LYS 77 HE2 LYS 77 -4.179 -1.229 0.329 303 HE3 LYS 77 HE1 LYS 77 -5.385 -2.465 -0.024 304 HZ1 LYS 77 HZ1 LYS 77 -5.896 -1.566 2.088 305 HZ2 LYS 77 HZ2 LYS 77 -4.292 -1.710 2.627 306 HZ3 LYS 77 HZ3 LYS 77 -5.233 -3.102 2.370 307 H LEU 78 HN LEU 78 0.360 -4.842 -2.702 308 HA LEU 78 HA LEU 78 1.025 -7.452 -2.579 309 HB2 LEU 78 HB2 LEU 78 2.138 -5.173 -3.990 310 HB3 LEU 78 HB1 LEU 78 3.355 -6.406 -3.683 311 HG LEU 78 HG LEU 78 1.877 -8.112 -4.670 312 HD11 LEU 78 HD11 LEU 78 -0.063 -5.977 -4.369 313 HD12 LEU 78 HD12 LEU 78 -0.336 -7.686 -4.704 314 HD13 LEU 78 HD13 LEU 78 -0.035 -6.565 -6.032 315 HD21 LEU 78 HD21 LEU 78 1.886 -7.200 -7.025 316 HD22 LEU 78 HD22 LEU 78 3.426 -7.036 -6.182 317 HD23 LEU 78 HD23 LEU 78 2.362 -5.639 -6.355 318 H GLN 79 HN GLN 79 3.496 -4.995 -1.647 319 HA GLN 79 HA GLN 79 5.237 -6.793 -0.436 320 HB2 GLN 79 HB2 GLN 79 5.682 -4.353 -0.935 321 HB3 GLN 79 HB1 GLN 79 4.743 -3.955 0.501 322 HG2 GLN 79 HG2 GLN 79 7.055 -5.891 0.657 323 HG3 GLN 79 HG1 GLN 79 7.318 -4.151 0.749 324 HE21 GLN 79 HE21 GLN 79 7.652 -6.207 2.920 325 HE22 GLN 79 HE22 GLN 79 6.637 -5.692 4.180 326 H ALA 80 HN ALA 80 2.434 -5.134 0.851 327 HA ALA 80 HA ALA 80 2.703 -5.773 3.569 328 HB1 ALA 80 HB1 ALA 80 0.531 -5.058 3.811 329 HB2 ALA 80 HB2 ALA 80 -0.023 -5.909 2.370 330 HB3 ALA 80 HB3 ALA 80 0.859 -4.390 2.212 331 H ASP 81 HN ASP 81 1.839 -7.713 0.826 332 HA ASP 81 HA ASP 81 1.010 -9.966 2.517 333 HB2 ASP 81 HB2 ASP 81 0.964 -9.524 -0.473 334 HB3 ASP 81 HB1 ASP 81 0.544 -11.058 0.286 335 H GLY 82 HN GLY 82 3.815 -8.670 1.546 336 HA2 GLY 82 HA2 GLY 82 5.978 -9.518 1.678 337 HA3 GLY 82 HA1 GLY 82 5.299 -11.124 1.918 338 H ARG 83 HN ARG 83 4.043 -9.429 -0.759 339 HA ARG 83 HA ARG 83 4.911 -11.342 -2.642 340 HB2 ARG 83 HB2 ARG 83 3.699 -8.599 -2.935 341 HB3 ARG 83 HB1 ARG 83 4.085 -9.614 -4.322 342 HG2 ARG 83 HG2 ARG 83 2.606 -10.975 -2.152 343 HG3 ARG 83 HG1 ARG 83 1.702 -9.716 -2.992 344 HD2 ARG 83 HD2 ARG 83 1.404 -11.906 -4.091 345 HD3 ARG 83 HD1 ARG 83 2.221 -10.766 -5.155 346 HE ARG 83 HE ARG 83 4.143 -12.082 -5.021 347 HH11 ARG 83 HH11 ARG 83 5.243 -13.973 -4.418 348 HH12 ARG 83 HH12 ARG 83 4.581 -15.000 -3.190 349 HH21 ARG 83 HH21 ARG 83 1.790 -13.009 -2.659 350 HH22 ARG 83 HH22 ARG 83 2.625 -14.453 -2.193 351 H ILE 84 HN ILE 84 6.220 -8.195 -1.712 352 HA ILE 84 HA ILE 84 8.553 -8.743 -3.445 353 HB ILE 84 HB ILE 84 8.785 -6.308 -3.788 354 HG12 ILE 84 HG12 ILE 84 6.030 -6.113 -2.534 355 HG13 ILE 84 HG11 ILE 84 7.512 -5.678 -1.685 356 HG21 ILE 84 HG21 ILE 84 6.107 -6.466 -4.786 357 HG22 ILE 84 HG22 ILE 84 6.833 -8.070 -4.886 358 HG23 ILE 84 HG23 ILE 84 7.618 -6.697 -5.667 359 HD11 ILE 84 HD11 ILE 84 6.027 -3.962 -3.252 360 HD12 ILE 84 HD12 ILE 84 7.308 -4.468 -4.352 361 HD13 ILE 84 HD13 ILE 84 7.716 -3.724 -2.808 362 H THR 85 HN THR 85 10.544 -7.578 -2.706 363 HA THR 85 HA THR 85 11.014 -8.195 0.026 364 HB THR 85 HB THR 85 13.247 -7.227 -0.355 365 HG1 THR 85 HG1 THR 85 13.090 -5.581 -1.671 366 HG21 THR 85 HG21 THR 85 13.100 -8.572 -2.889 367 HG22 THR 85 HG22 THR 85 12.056 -9.394 -1.728 368 HG23 THR 85 HG23 THR 85 13.766 -9.157 -1.365 369 H GLU 86 HN GLU 86 11.085 -6.973 1.796 370 HA GLU 86 HA GLU 86 9.804 -4.407 1.804 371 HB2 GLU 86 HB2 GLU 86 9.574 -6.017 3.668 372 HB3 GLU 86 HB1 GLU 86 11.293 -5.841 4.018 373 HG2 GLU 86 HG2 GLU 86 10.982 -3.451 4.476 374 HG3 GLU 86 HG1 GLU 86 9.274 -3.577 4.056 375 H GLU 87 HN GLU 87 13.109 -5.585 2.142 376 HA GLU 87 HA GLU 87 14.337 -3.193 2.937 377 HB2 GLU 87 HB2 GLU 87 15.392 -5.605 1.470 378 HB3 GLU 87 HB1 GLU 87 16.422 -4.274 2.000 379 HG2 GLU 87 HG2 GLU 87 15.784 -4.623 4.313 380 HG3 GLU 87 HG1 GLU 87 14.590 -5.831 3.843 381 H GLN 88 HN GLN 88 13.703 -4.444 -0.348 382 HA GLN 88 HA GLN 88 15.269 -2.542 -1.716 383 HB2 GLN 88 HB2 GLN 88 12.776 -4.039 -2.540 384 HB3 GLN 88 HB1 GLN 88 13.753 -3.075 -3.644 385 HG2 GLN 88 HG2 GLN 88 14.851 -5.326 -1.961 386 HG3 GLN 88 HG1 GLN 88 14.346 -5.519 -3.639 387 HE21 GLN 88 HE21 GLN 88 17.116 -5.452 -2.093 388 HE22 GLN 88 HE22 GLN 88 18.065 -4.467 -3.098 389 H ALA 89 HN ALA 89 11.903 -2.457 -0.646 390 HA ALA 89 HA ALA 89 11.178 -0.036 -1.894 391 HB1 ALA 89 HB1 ALA 89 10.171 -1.321 0.655 392 HB2 ALA 89 HB2 ALA 89 9.481 -1.490 -0.959 393 HB3 ALA 89 HB3 ALA 89 9.409 0.063 -0.127 394 H LYS 90 HN LYS 90 12.749 -0.765 1.176 395 HA LYS 90 HA LYS 90 12.750 2.006 2.040 396 HB2 LYS 90 HB2 LYS 90 14.285 -0.364 3.136 397 HB3 LYS 90 HB1 LYS 90 14.051 1.185 3.939 398 HG2 LYS 90 HG2 LYS 90 11.796 -0.686 3.153 399 HG3 LYS 90 HG1 LYS 90 12.504 -0.613 4.763 400 HD2 LYS 90 HD2 LYS 90 11.886 1.845 4.820 401 HD3 LYS 90 HD1 LYS 90 10.987 1.582 3.326 402 HE2 LYS 90 HE2 LYS 90 9.631 -0.151 4.423 403 HE3 LYS 90 HE1 LYS 90 10.513 0.113 5.928 404 HZ1 LYS 90 HZ1 LYS 90 9.171 1.790 6.394 405 HZ2 LYS 90 HZ2 LYS 90 8.299 1.510 4.963 406 HZ3 LYS 90 HZ3 LYS 90 9.612 2.587 4.963 407 H ALA 91 HN ALA 91 14.773 -0.048 0.155 408 HA ALA 91 HA ALA 91 17.277 1.111 0.552 409 HB1 ALA 91 HB1 ALA 91 17.917 0.104 -1.521 410 HB2 ALA 91 HB2 ALA 91 16.249 0.070 -2.091 411 HB3 ALA 91 HB3 ALA 91 16.749 -0.979 -0.765 412 H TYR 92 HN TYR 92 14.609 2.126 -1.570 413 HA TYR 92 HA TYR 92 15.982 4.055 -3.052 414 HB2 TYR 92 HB2 TYR 92 13.715 3.268 -3.598 415 HB3 TYR 92 HB1 TYR 92 13.091 4.067 -2.155 416 HD1 TYR 92 HD1 TYR 92 14.876 4.685 -5.371 417 HD2 TYR 92 HD2 TYR 92 12.574 6.381 -2.167 418 HE1 TYR 92 HE1 TYR 92 14.695 6.814 -6.630 419 HE2 TYR 92 HE2 TYR 92 12.392 8.511 -3.426 420 HH TYR 92 HH TYR 92 12.810 9.552 -5.345 421 H LYS 93 HN LYS 93 14.449 4.250 0.137 422 HA LYS 93 HA LYS 93 14.527 7.023 0.488 423 HB2 LYS 93 HB2 LYS 93 13.357 5.482 2.015 424 HB3 LYS 93 HB1 LYS 93 14.908 4.863 2.578 425 HG2 LYS 93 HG2 LYS 93 15.518 7.102 3.407 426 HG3 LYS 93 HG1 LYS 93 13.987 7.745 2.812 427 HD2 LYS 93 HD2 LYS 93 12.759 6.219 4.309 428 HD3 LYS 93 HD1 LYS 93 14.287 5.569 4.902 429 HE2 LYS 93 HE2 LYS 93 14.925 7.800 5.731 430 HE3 LYS 93 HE1 LYS 93 13.405 8.462 5.130 431 HZ1 LYS 93 HZ1 LYS 93 13.909 6.758 7.440 432 HZ2 LYS 93 HZ2 LYS 93 12.475 6.466 6.576 433 HZ3 LYS 93 HZ3 LYS 93 12.774 8.003 7.237 434 H GLU 94 HN GLU 94 17.018 4.571 1.250 435 HA GLU 94 HA GLU 94 18.897 6.135 2.496 436 HB2 GLU 94 HB2 GLU 94 19.102 3.690 2.111 437 HB3 GLU 94 HB1 GLU 94 19.479 4.012 0.418 438 HG2 GLU 94 HG2 GLU 94 21.455 5.307 1.077 439 HG3 GLU 94 HG1 GLU 94 21.066 5.061 2.780 440 H TYR 95 HN TYR 95 17.956 6.206 -0.851 441 HA TYR 95 HA TYR 95 20.182 7.347 -2.056 442 HB2 TYR 95 HB2 TYR 95 18.205 6.705 -3.343 443 HB3 TYR 95 HB1 TYR 95 17.267 7.986 -2.572 444 HD1 TYR 95 HD1 TYR 95 20.244 7.358 -4.729 445 HD2 TYR 95 HD2 TYR 95 17.331 10.210 -3.378 446 HE1 TYR 95 HE1 TYR 95 21.042 8.978 -6.428 447 HE2 TYR 95 HE2 TYR 95 18.128 11.830 -5.077 448 HH TYR 95 HH TYR 95 20.112 10.960 -7.655 449 H ASN 96 HN ASN 96 17.516 9.013 -0.354 450 HA ASN 96 HA ASN 96 18.300 11.635 -0.707 451 HB2 ASN 96 HB2 ASN 96 17.144 12.116 1.403 452 HB3 ASN 96 HB1 ASN 96 16.221 10.992 0.411 453 HD21 ASN 96 HD21 ASN 96 15.237 10.462 2.650 454 HD22 ASN 96 HD22 ASN 96 16.035 9.293 3.586 455 H ASP 97 HN ASP 97 19.826 9.178 1.176 456 HA ASP 97 HA ASP 97 21.248 10.711 3.048 457 HB2 ASP 97 HB2 ASP 97 21.090 8.183 2.959 458 HB3 ASP 97 HB1 ASP 97 22.299 8.232 1.677 459 H LYS 98 HN LYS 98 21.588 10.412 -0.360 460 HA LYS 98 HA LYS 98 24.309 11.003 -0.710 461 HB2 LYS 98 HB2 LYS 98 21.890 11.626 -2.415 462 HB3 LYS 98 HB1 LYS 98 23.543 11.936 -2.939 463 HG2 LYS 98 HG2 LYS 98 22.817 9.208 -1.913 464 HG3 LYS 98 HG1 LYS 98 22.374 9.655 -3.558 465 HD2 LYS 98 HD2 LYS 98 24.759 10.255 -4.000 466 HD3 LYS 98 HD1 LYS 98 25.174 9.684 -2.385 467 HE2 LYS 98 HE2 LYS 98 23.820 7.981 -4.492 468 HE3 LYS 98 HE1 LYS 98 25.553 7.966 -4.168 469 HZ1 LYS 98 HZ1 LYS 98 24.768 7.569 -1.742 470 HZ2 LYS 98 HZ2 LYS 98 24.818 6.271 -2.837 471 HZ3 LYS 98 HZ3 LYS 98 23.339 7.027 -2.480 472 H ASN 99 HN ASN 99 21.516 13.089 -0.168 473 HA ASN 99 HA ASN 99 22.787 15.569 -0.665 474 HB2 ASN 99 HB2 ASN 99 20.297 15.161 -0.369 475 HB3 ASN 99 HB1 ASN 99 20.601 15.086 1.367 476 HD21 ASN 99 HD21 ASN 99 19.523 17.074 1.906 477 HD22 ASN 99 HD22 ASN 99 20.089 18.586 1.384 478 H GLY 100 HN GLY 100 22.669 13.449 2.122 479 HA2 GLY 100 HA2 GLY 100 24.052 15.351 3.845 480 HA3 GLY 100 HA1 GLY 100 23.530 13.727 4.285 481 H GLY 101 HN GLY 101 24.969 13.339 1.395 482 HA2 GLY 101 HA2 GLY 101 27.454 12.387 2.607 483 HA3 GLY 101 HA1 GLY 101 26.882 12.031 0.979 484 H ALA 102 HN ALA 102 26.487 15.275 1.577 485 HA ALA 102 HA ALA 102 28.405 16.101 -0.330 486 HB1 ALA 102 HB1 ALA 102 27.827 18.315 1.305 487 HB2 ALA 102 HB2 ALA 102 26.365 17.329 1.305 488 HB3 ALA 102 HB3 ALA 102 27.053 17.887 -0.220 489 H ASN 103 HN ASN 103 28.420 16.033 3.195 490 HA ASN 103 HA ASN 103 30.653 17.500 3.807 491 HB2 ASN 103 HB2 ASN 103 29.673 14.911 5.007 492 HB3 ASN 103 HB1 ASN 103 31.008 15.832 5.693 493 HD21 ASN 103 HD21 ASN 103 28.510 15.433 7.097 494 HD22 ASN 103 HD22 ASN 103 27.763 16.949 7.257 495 H ARG 104 HN ARG 104 30.880 13.920 3.498 496 HA ARG 104 HA ARG 104 32.649 12.605 2.854 497 HB2 ARG 104 HB2 ARG 104 32.448 14.778 0.848 498 HB3 ARG 104 HB1 ARG 104 33.947 13.855 0.829 499 HG2 ARG 104 HG2 ARG 104 31.194 12.585 0.810 500 HG3 ARG 104 HG1 ARG 104 32.119 12.922 -0.652 501 HD2 ARG 104 HD2 ARG 104 33.066 10.893 -0.375 502 HD3 ARG 104 HD1 ARG 104 33.936 11.579 0.991 503 HE ARG 104 HE ARG 104 31.356 10.759 1.826 504 HH11 ARG 104 HH11 ARG 104 31.178 8.814 2.989 505 HH12 ARG 104 HH12 ARG 104 32.460 7.651 2.921 506 HH21 ARG 104 HH21 ARG 104 34.430 9.550 0.794 507 HH22 ARG 104 HH22 ARG 104 34.301 8.068 1.680 508 H LYS 105 HN LYS 105 33.541 13.227 5.039 509 HA LYS 105 HA LYS 105 35.784 15.091 4.973 510 HB2 LYS 105 HB2 LYS 105 34.615 13.417 7.209 511 HB3 LYS 105 HB1 LYS 105 35.926 14.584 7.389 512 HG2 LYS 105 HG2 LYS 105 34.500 16.409 6.738 513 HG3 LYS 105 HG1 LYS 105 33.219 15.305 6.246 514 HD2 LYS 105 HD2 LYS 105 32.597 16.183 8.397 515 HD3 LYS 105 HD1 LYS 105 33.109 14.515 8.651 516 HE2 LYS 105 HE2 LYS 105 35.255 15.218 9.483 517 HE3 LYS 105 HE1 LYS 105 34.959 16.886 8.996 518 HZ1 LYS 105 HZ1 LYS 105 32.996 16.800 10.547 519 HZ2 LYS 105 HZ2 LYS 105 34.525 16.774 11.290 520 HZ3 LYS 105 HZ3 LYS 105 33.625 15.340 11.141 521 H VAL 106 HN VAL 106 35.311 11.881 4.191 522 HA VAL 106 HA VAL 106 36.626 9.967 4.319 523 HB VAL 106 HB VAL 106 38.897 10.572 3.154 524 HG11 VAL 106 HG11 VAL 106 36.091 10.666 2.106 525 HG12 VAL 106 HG12 VAL 106 37.354 9.470 1.816 526 HG13 VAL 106 HG13 VAL 106 37.420 11.036 1.007 527 HG21 VAL 106 HG21 VAL 106 38.733 12.997 3.702 528 HG22 VAL 106 HG22 VAL 106 37.264 13.097 2.730 529 HG23 VAL 106 HG23 VAL 106 38.804 12.712 1.964 530 H ASN 107 HN ASN 107 36.677 10.195 6.780 531 HA ASN 107 HA ASN 107 39.237 11.025 7.881 532 HB2 ASN 107 HB2 ASN 107 38.275 10.464 10.032 533 HB3 ASN 107 HB1 ASN 107 37.099 11.394 9.108 534 HD21 ASN 107 HD21 ASN 107 35.690 10.136 10.856 535 HD22 ASN 107 HD22 ASN 107 35.065 8.645 10.340 536 H ASP 108 HN ASP 108 40.066 9.326 9.650 537 HA ASP 108 HA ASP 108 40.756 6.938 8.103 538 HB2 ASP 108 HB2 ASP 108 42.575 8.242 9.124 539 HB3 ASP 108 HB1 ASP 108 41.867 7.982 10.718 Start of MODEL 14 1 HA THR 40 HA THR 40 -56.754 -10.312 9.047 2 HB THR 40 HB THR 40 -58.064 -9.089 11.476 3 HG1 THR 40 HG1 THR 40 -58.170 -11.439 11.450 4 HG21 THR 40 HG21 THR 40 -58.236 -8.417 8.869 5 HG22 THR 40 HG22 THR 40 -59.590 -8.255 9.987 6 HG23 THR 40 HG23 THR 40 -59.483 -9.663 8.931 7 H LYS 41 HN LYS 41 -54.170 -9.768 10.145 8 HA LYS 41 HA LYS 41 -54.094 -6.892 9.709 9 HB2 LYS 41 HB2 LYS 41 -54.386 -7.099 12.160 10 HB3 LYS 41 HB1 LYS 41 -52.948 -8.116 12.231 11 HG2 LYS 41 HG2 LYS 41 -51.580 -6.281 11.335 12 HG3 LYS 41 HG1 LYS 41 -53.014 -5.261 11.210 13 HD2 LYS 41 HD2 LYS 41 -53.340 -5.416 13.650 14 HD3 LYS 41 HD1 LYS 41 -51.906 -6.435 13.777 15 HE2 LYS 41 HE2 LYS 41 -50.520 -4.611 12.871 16 HE3 LYS 41 HE1 LYS 41 -51.951 -3.590 12.726 17 HZ1 LYS 41 HZ1 LYS 41 -50.797 -3.079 14.753 18 HZ2 LYS 41 HZ2 LYS 41 -50.824 -4.708 15.236 19 HZ3 LYS 41 HZ3 LYS 41 -52.272 -3.824 15.136 20 H GLN 42 HN GLN 42 -52.270 -6.306 8.635 21 HA GLN 42 HA GLN 42 -50.351 -8.445 8.034 22 HB2 GLN 42 HB2 GLN 42 -50.897 -5.759 6.756 23 HB3 GLN 42 HB1 GLN 42 -49.558 -6.804 6.279 24 HG2 GLN 42 HG2 GLN 42 -51.072 -8.578 5.654 25 HG3 GLN 42 HG1 GLN 42 -52.450 -7.704 6.323 26 HE21 GLN 42 HE21 GLN 42 -52.030 -8.580 3.486 27 HE22 GLN 42 HE22 GLN 42 -52.097 -7.160 2.559 28 H LYS 43 HN LYS 43 -48.932 -8.539 9.704 29 HA LYS 43 HA LYS 43 -47.597 -6.046 10.546 30 HB2 LYS 43 HB2 LYS 43 -48.651 -7.492 12.290 31 HB3 LYS 43 HB1 LYS 43 -47.510 -8.767 11.869 32 HG2 LYS 43 HG2 LYS 43 -45.632 -7.173 12.356 33 HG3 LYS 43 HG1 LYS 43 -46.823 -6.002 12.915 34 HD2 LYS 43 HD2 LYS 43 -46.636 -8.792 14.071 35 HD3 LYS 43 HD1 LYS 43 -45.709 -7.442 14.720 36 HE2 LYS 43 HE2 LYS 43 -47.883 -6.189 15.003 37 HE3 LYS 43 HE1 LYS 43 -48.727 -7.672 14.561 38 HZ1 LYS 43 HZ1 LYS 43 -48.599 -7.612 16.904 39 HZ2 LYS 43 HZ2 LYS 43 -46.940 -7.245 16.883 40 HZ3 LYS 43 HZ3 LYS 43 -47.481 -8.779 16.390 41 H GLU 44 HN GLU 44 -45.596 -5.645 9.871 42 HA GLU 44 HA GLU 44 -44.128 -7.738 8.438 43 HB2 GLU 44 HB2 GLU 44 -43.711 -4.755 8.713 44 HB3 GLU 44 HB1 GLU 44 -42.584 -5.818 7.869 45 HG2 GLU 44 HG2 GLU 44 -44.303 -6.492 6.300 46 HG3 GLU 44 HG1 GLU 44 -45.532 -5.609 7.204 47 H ALA 45 HN ALA 45 -43.174 -9.061 9.920 48 HA ALA 45 HA ALA 45 -42.060 -8.242 12.383 49 HB1 ALA 45 HB1 ALA 45 -42.110 -10.682 10.749 50 HB2 ALA 45 HB2 ALA 45 -42.238 -10.492 12.498 51 HB3 ALA 45 HB3 ALA 45 -40.652 -10.505 11.726 52 H VAL 46 HN VAL 46 -40.644 -8.696 9.173 53 HA VAL 46 HA VAL 46 -38.287 -7.169 10.066 54 HB VAL 46 HB VAL 46 -36.863 -8.656 8.702 55 HG11 VAL 46 HG11 VAL 46 -36.916 -10.577 10.242 56 HG12 VAL 46 HG12 VAL 46 -38.532 -10.113 10.775 57 HG13 VAL 46 HG13 VAL 46 -37.153 -9.071 11.128 58 HG21 VAL 46 HG21 VAL 46 -37.878 -9.952 7.158 59 HG22 VAL 46 HG22 VAL 46 -39.462 -9.623 7.862 60 HG23 VAL 46 HG23 VAL 46 -38.480 -10.952 8.480 61 H ASN 47 HN ASN 47 -37.115 -6.138 8.312 62 HA ASN 47 HA ASN 47 -38.915 -5.033 6.338 63 HB2 ASN 47 HB2 ASN 47 -35.964 -4.585 6.845 64 HB3 ASN 47 HB1 ASN 47 -36.934 -3.676 5.688 65 HD21 ASN 47 HD21 ASN 47 -35.586 -2.920 8.392 66 HD22 ASN 47 HD22 ASN 47 -36.832 -2.142 9.242 67 H ASP 48 HN ASP 48 -38.514 -5.065 4.038 68 HA ASP 48 HA ASP 48 -36.731 -7.183 3.071 69 HB2 ASP 48 HB2 ASP 48 -38.589 -8.022 1.584 70 HB3 ASP 48 HB1 ASP 48 -38.789 -8.384 3.298 71 H LYS 49 HN LYS 49 -39.331 -5.110 1.766 72 HA LYS 49 HA LYS 49 -38.018 -4.589 -0.674 73 HB2 LYS 49 HB2 LYS 49 -40.219 -3.116 0.781 74 HB3 LYS 49 HB1 LYS 49 -39.667 -2.679 -0.837 75 HG2 LYS 49 HG2 LYS 49 -40.183 -4.957 -1.633 76 HG3 LYS 49 HG1 LYS 49 -40.737 -5.396 -0.017 77 HD2 LYS 49 HD2 LYS 49 -42.486 -3.661 -0.137 78 HD3 LYS 49 HD1 LYS 49 -41.933 -3.215 -1.752 79 HE2 LYS 49 HE2 LYS 49 -42.440 -5.487 -2.562 80 HE3 LYS 49 HE1 LYS 49 -42.986 -5.943 -0.948 81 HZ1 LYS 49 HZ1 LYS 49 -44.549 -4.903 -2.898 82 HZ2 LYS 49 HZ2 LYS 49 -44.218 -3.544 -1.933 83 HZ3 LYS 49 HZ3 LYS 49 -44.929 -4.925 -1.246 84 H GLY 50 HN GLY 50 -38.082 -2.815 2.398 85 HA2 GLY 50 HA2 GLY 50 -36.683 -1.190 3.223 86 HA3 GLY 50 HA1 GLY 50 -35.547 -1.639 1.956 87 H LYS 51 HN LYS 51 -38.775 -0.635 1.115 88 HA LYS 51 HA LYS 51 -37.873 1.382 -0.631 89 HB2 LYS 51 HB2 LYS 51 -40.223 1.977 -0.877 90 HB3 LYS 51 HB1 LYS 51 -40.048 0.223 -0.857 91 HG2 LYS 51 HG2 LYS 51 -40.648 0.205 1.551 92 HG3 LYS 51 HG1 LYS 51 -40.873 1.953 1.500 93 HD2 LYS 51 HD2 LYS 51 -42.625 1.684 -0.215 94 HD3 LYS 51 HD1 LYS 51 -42.408 -0.065 -0.160 95 HE2 LYS 51 HE2 LYS 51 -43.042 -0.075 2.224 96 HE3 LYS 51 HE1 LYS 51 -43.258 1.675 2.174 97 HZ1 LYS 51 HZ1 LYS 51 -45.029 -0.385 1.321 98 HZ2 LYS 51 HZ2 LYS 51 -44.722 0.718 0.066 99 HZ3 LYS 51 HZ3 LYS 51 -45.334 1.268 1.552 100 H ALA 52 HN ALA 52 -38.733 1.466 2.756 101 HA ALA 52 HA ALA 52 -39.171 4.239 3.030 102 HB1 ALA 52 HB1 ALA 52 -39.828 2.883 4.847 103 HB2 ALA 52 HB2 ALA 52 -38.438 3.787 5.447 104 HB3 ALA 52 HB3 ALA 52 -38.249 2.106 4.948 105 H ALA 53 HN ALA 53 -36.207 2.301 3.238 106 HA ALA 53 HA ALA 53 -34.634 4.801 3.386 107 HB1 ALA 53 HB1 ALA 53 -34.156 3.424 5.279 108 HB2 ALA 53 HB2 ALA 53 -32.790 3.257 4.176 109 HB3 ALA 53 HB3 ALA 53 -34.006 1.984 4.272 110 H VAL 54 HN VAL 54 -32.718 4.971 2.093 111 HA VAL 54 HA VAL 54 -32.989 3.550 -0.456 112 HB VAL 54 HB VAL 54 -31.245 5.902 0.320 113 HG11 VAL 54 HG11 VAL 54 -31.350 4.133 -2.033 114 HG12 VAL 54 HG12 VAL 54 -30.080 5.243 -1.518 115 HG13 VAL 54 HG13 VAL 54 -31.465 5.848 -2.425 116 HG21 VAL 54 HG21 VAL 54 -33.684 5.801 -1.478 117 HG22 VAL 54 HG22 VAL 54 -32.832 7.236 -0.907 118 HG23 VAL 54 HG23 VAL 54 -33.761 6.253 0.226 119 H VAL 55 HN VAL 55 -31.843 1.813 -0.831 120 HA VAL 55 HA VAL 55 -29.634 1.030 0.858 121 HB VAL 55 HB VAL 55 -30.705 -0.292 -1.646 122 HG11 VAL 55 HG11 VAL 55 -29.666 -2.294 -0.802 123 HG12 VAL 55 HG12 VAL 55 -29.252 -1.506 0.717 124 HG13 VAL 55 HG13 VAL 55 -28.443 -1.029 -0.773 125 HG21 VAL 55 HG21 VAL 55 -32.593 -0.314 -0.302 126 HG22 VAL 55 HG22 VAL 55 -31.658 -0.237 1.192 127 HG23 VAL 55 HG23 VAL 55 -31.778 -1.755 0.303 128 H LYS 56 HN LYS 56 -30.078 2.524 -2.247 129 HA LYS 56 HA LYS 56 -27.660 1.896 -3.509 130 HB2 LYS 56 HB2 LYS 56 -29.432 4.333 -3.690 131 HB3 LYS 56 HB1 LYS 56 -28.018 4.089 -4.714 132 HG2 LYS 56 HG2 LYS 56 -28.947 2.082 -5.659 133 HG3 LYS 56 HG1 LYS 56 -30.252 2.060 -4.476 134 HD2 LYS 56 HD2 LYS 56 -31.164 2.912 -6.544 135 HD3 LYS 56 HD1 LYS 56 -31.043 4.263 -5.421 136 HE2 LYS 56 HE2 LYS 56 -29.025 5.064 -6.500 137 HE3 LYS 56 HE1 LYS 56 -28.937 3.619 -7.508 138 HZ1 LYS 56 HZ1 LYS 56 -31.012 5.736 -7.570 139 HZ2 LYS 56 HZ2 LYS 56 -31.126 4.275 -8.429 140 HZ3 LYS 56 HZ3 LYS 56 -29.879 5.374 -8.781 141 H VAL 57 HN VAL 57 -28.389 4.518 -1.216 142 HA VAL 57 HA VAL 57 -26.013 5.958 -1.549 143 HB VAL 57 HB VAL 57 -26.476 6.898 0.684 144 HG11 VAL 57 HG11 VAL 57 -27.951 8.173 -0.433 145 HG12 VAL 57 HG12 VAL 57 -29.199 6.958 -0.161 146 HG13 VAL 57 HG13 VAL 57 -28.193 6.882 -1.607 147 HG21 VAL 57 HG21 VAL 57 -27.398 5.469 2.176 148 HG22 VAL 57 HG22 VAL 57 -27.967 4.389 0.904 149 HG23 VAL 57 HG23 VAL 57 -28.932 5.789 1.369 150 H VAL 58 HN VAL 58 -26.664 3.175 0.601 151 HA VAL 58 HA VAL 58 -24.063 3.427 1.824 152 HB VAL 58 HB VAL 58 -26.229 2.406 2.853 153 HG11 VAL 58 HG11 VAL 58 -26.692 0.173 2.469 154 HG12 VAL 58 HG12 VAL 58 -25.047 -0.190 1.954 155 HG13 VAL 58 HG13 VAL 58 -26.148 0.646 0.863 156 HG21 VAL 58 HG21 VAL 58 -24.562 0.677 4.038 157 HG22 VAL 58 HG22 VAL 58 -24.437 2.415 4.302 158 HG23 VAL 58 HG23 VAL 58 -23.365 1.620 3.149 159 H GLU 59 HN GLU 59 -25.395 1.623 -0.868 160 HA GLU 59 HA GLU 59 -23.425 -0.369 -1.074 161 HB2 GLU 59 HB2 GLU 59 -25.141 0.965 -3.162 162 HB3 GLU 59 HB1 GLU 59 -24.040 -0.359 -3.541 163 HG2 GLU 59 HG2 GLU 59 -25.174 -1.838 -2.013 164 HG3 GLU 59 HG1 GLU 59 -26.158 -0.521 -1.383 165 H SER 60 HN SER 60 -23.470 2.933 -2.483 166 HA SER 60 HA SER 60 -21.016 2.628 -3.881 167 HB2 SER 60 HB2 SER 60 -21.051 5.068 -4.048 168 HB3 SER 60 HB1 SER 60 -22.654 4.416 -4.375 169 HG SER 60 HG SER 60 -21.739 5.416 -1.876 170 H GLN 61 HN GLN 61 -21.875 3.613 -0.636 171 HA GLN 61 HA GLN 61 -19.374 4.637 0.183 172 HB2 GLN 61 HB2 GLN 61 -21.661 3.406 1.727 173 HB3 GLN 61 HB1 GLN 61 -20.252 4.138 2.495 174 HG2 GLN 61 HG2 GLN 61 -20.720 6.276 1.461 175 HG3 GLN 61 HG1 GLN 61 -22.015 5.573 0.496 176 HE21 GLN 61 HE21 GLN 61 -22.735 7.712 2.088 177 HE22 GLN 61 HE22 GLN 61 -23.630 7.182 3.429 178 H ALA 62 HN ALA 62 -20.727 1.374 0.167 179 HA ALA 62 HA ALA 62 -18.757 0.120 1.749 180 HB1 ALA 62 HB1 ALA 62 -20.579 -0.892 -0.430 181 HB2 ALA 62 HB2 ALA 62 -20.725 -1.122 1.312 182 HB3 ALA 62 HB3 ALA 62 -19.452 -1.952 0.415 183 H GLU 63 HN GLU 63 -18.922 0.755 -1.743 184 HA GLU 63 HA GLU 63 -16.570 -0.659 -2.444 185 HB2 GLU 63 HB2 GLU 63 -17.956 1.688 -3.759 186 HB3 GLU 63 HB1 GLU 63 -16.608 0.810 -4.482 187 HG2 GLU 63 HG2 GLU 63 -19.177 -0.514 -3.576 188 HG3 GLU 63 HG1 GLU 63 -18.883 0.015 -5.232 189 H LEU 64 HN LEU 64 -17.160 2.702 -1.495 190 HA LEU 64 HA LEU 64 -14.518 3.639 -1.882 191 HB2 LEU 64 HB2 LEU 64 -16.471 5.136 -1.648 192 HB3 LEU 64 HB1 LEU 64 -16.663 4.619 0.024 193 HG LEU 64 HG LEU 64 -14.413 5.505 0.557 194 HD11 LEU 64 HD11 LEU 64 -14.405 5.926 -2.401 195 HD12 LEU 64 HD12 LEU 64 -13.081 5.466 -1.330 196 HD13 LEU 64 HD13 LEU 64 -13.613 7.146 -1.404 197 HD21 LEU 64 HD21 LEU 64 -15.307 7.944 -0.612 198 HD22 LEU 64 HD22 LEU 64 -15.537 7.391 1.047 199 HD23 LEU 64 HD23 LEU 64 -16.740 7.008 -0.186 200 H TYR 65 HN TYR 65 -16.225 2.241 0.864 201 HA TYR 65 HA TYR 65 -14.280 2.594 2.847 202 HB2 TYR 65 HB2 TYR 65 -16.524 1.912 3.408 203 HB3 TYR 65 HB1 TYR 65 -16.363 0.435 2.461 204 HD1 TYR 65 HD1 TYR 65 -14.967 2.242 5.420 205 HD2 TYR 65 HD2 TYR 65 -15.463 -1.523 3.413 206 HE1 TYR 65 HE1 TYR 65 -14.062 1.063 7.405 207 HE2 TYR 65 HE2 TYR 65 -14.556 -2.701 5.396 208 HH TYR 65 HH TYR 65 -13.812 -2.496 7.471 209 H SER 66 HN SER 66 -14.820 -0.182 0.664 210 HA SER 66 HA SER 66 -12.632 -1.709 1.628 211 HB2 SER 66 HB2 SER 66 -12.934 -3.045 -0.402 212 HB3 SER 66 HB1 SER 66 -14.493 -2.680 0.332 213 HG SER 66 HG SER 66 -14.747 -2.165 -1.770 214 H LEU 67 HN LEU 67 -12.960 0.649 -0.987 215 HA LEU 67 HA LEU 67 -10.407 0.276 -2.144 216 HB2 LEU 67 HB2 LEU 67 -12.211 1.483 -3.283 217 HB3 LEU 67 HB1 LEU 67 -12.144 2.755 -2.062 218 HG LEU 67 HG LEU 67 -9.527 2.154 -3.248 219 HD11 LEU 67 HD11 LEU 67 -10.048 3.284 -5.401 220 HD12 LEU 67 HD12 LEU 67 -11.760 3.269 -4.976 221 HD13 LEU 67 HD13 LEU 67 -10.903 1.750 -5.240 222 HD21 LEU 67 HD21 LEU 67 -9.385 4.569 -3.282 223 HD22 LEU 67 HD22 LEU 67 -10.171 4.108 -1.772 224 HD23 LEU 67 HD23 LEU 67 -11.134 4.723 -3.114 225 H GLU 68 HN GLU 68 -11.569 2.518 0.349 226 HA GLU 68 HA GLU 68 -9.137 3.902 0.733 227 HB2 GLU 68 HB2 GLU 68 -11.328 4.716 1.540 228 HB3 GLU 68 HB1 GLU 68 -11.366 3.409 2.722 229 HG2 GLU 68 HG2 GLU 68 -9.322 4.264 3.774 230 HG3 GLU 68 HG1 GLU 68 -9.214 5.540 2.561 231 H LYS 69 HN LYS 69 -10.477 0.992 2.214 232 HA LYS 69 HA LYS 69 -8.373 0.700 4.136 233 HB2 LYS 69 HB2 LYS 69 -10.457 -1.239 3.112 234 HB3 LYS 69 HB1 LYS 69 -9.324 -1.613 4.409 235 HG2 LYS 69 HG2 LYS 69 -11.022 0.870 4.564 236 HG3 LYS 69 HG1 LYS 69 -11.699 -0.690 5.025 237 HD2 LYS 69 HD2 LYS 69 -9.797 -0.999 6.620 238 HD3 LYS 69 HD1 LYS 69 -9.233 0.620 6.222 239 HE2 LYS 69 HE2 LYS 69 -11.380 1.564 6.980 240 HE3 LYS 69 HE1 LYS 69 -11.943 -0.054 7.389 241 HZ1 LYS 69 HZ1 LYS 69 -11.107 0.519 9.388 242 HZ2 LYS 69 HZ2 LYS 69 -9.999 1.635 8.744 243 HZ3 LYS 69 HZ3 LYS 69 -9.656 -0.029 8.702 244 H ASN 70 HN ASN 70 -8.748 -0.107 0.806 245 HA ASN 70 HA ASN 70 -7.329 -1.127 -0.701 246 HB2 ASN 70 HB2 ASN 70 -5.714 0.474 0.477 247 HB3 ASN 70 HB1 ASN 70 -5.182 -0.924 1.409 248 HD21 ASN 70 HD21 ASN 70 -3.077 -1.095 0.426 249 HD22 ASN 70 HD22 ASN 70 -2.869 -1.504 -1.208 250 H GLU 71 HN GLU 71 -8.880 -2.930 0.245 251 HA GLU 71 HA GLU 71 -7.888 -4.964 1.899 252 HB2 GLU 71 HB2 GLU 71 -9.913 -5.017 -0.344 253 HB3 GLU 71 HB1 GLU 71 -9.584 -6.405 0.693 254 HG2 GLU 71 HG2 GLU 71 -10.240 -5.170 2.667 255 HG3 GLU 71 HG1 GLU 71 -10.384 -3.677 1.739 256 H ASP 72 HN ASP 72 -7.560 -4.451 -1.593 257 HA ASP 72 HA ASP 72 -6.536 -6.892 -2.397 258 HB2 ASP 72 HB2 ASP 72 -6.994 -4.923 -3.879 259 HB3 ASP 72 HB1 ASP 72 -5.506 -4.187 -3.284 260 H ALA 73 HN ALA 73 -4.511 -7.865 -2.355 261 HA ALA 73 HA ALA 73 -2.928 -7.626 -0.124 262 HB1 ALA 73 HB1 ALA 73 -2.453 -9.541 -1.319 263 HB2 ALA 73 HB2 ALA 73 -1.067 -8.548 -1.771 264 HB3 ALA 73 HB3 ALA 73 -2.439 -8.699 -2.869 265 H SER 74 HN SER 74 -2.005 -5.856 0.617 266 HA SER 74 HA SER 74 -0.878 -3.863 -1.192 267 HB2 SER 74 HB2 SER 74 -0.739 -2.443 0.748 268 HB3 SER 74 HB1 SER 74 -2.320 -3.217 0.749 269 HG SER 74 HG SER 74 -0.181 -3.506 2.469 270 H LEU 75 HN LEU 75 1.193 -2.802 -0.300 271 HA LEU 75 HA LEU 75 3.255 -4.856 -0.250 272 HB2 LEU 75 HB2 LEU 75 3.302 -1.849 -0.429 273 HB3 LEU 75 HB1 LEU 75 4.776 -2.788 -0.222 274 HG LEU 75 HG LEU 75 2.784 -3.410 -2.404 275 HD11 LEU 75 HD11 LEU 75 3.409 -1.106 -2.784 276 HD12 LEU 75 HD12 LEU 75 4.332 -2.098 -3.912 277 HD13 LEU 75 HD13 LEU 75 5.106 -1.463 -2.460 278 HD21 LEU 75 HD21 LEU 75 4.295 -5.192 -2.283 279 HD22 LEU 75 HD22 LEU 75 5.639 -4.160 -1.800 280 HD23 LEU 75 HD23 LEU 75 5.072 -4.148 -3.466 281 H ARG 76 HN ARG 76 1.623 -2.737 1.920 282 HA ARG 76 HA ARG 76 3.513 -2.582 4.003 283 HB2 ARG 76 HB2 ARG 76 0.488 -2.518 4.035 284 HB3 ARG 76 HB1 ARG 76 1.480 -2.210 5.460 285 HG2 ARG 76 HG2 ARG 76 2.563 -0.328 4.366 286 HG3 ARG 76 HG1 ARG 76 1.731 -0.684 2.853 287 HD2 ARG 76 HD2 ARG 76 0.586 1.141 4.002 288 HD3 ARG 76 HD1 ARG 76 -0.445 -0.286 3.983 289 HE ARG 76 HE ARG 76 1.121 -0.209 6.364 290 HH11 ARG 76 HH11 ARG 76 0.053 0.351 8.292 291 HH12 ARG 76 HH12 ARG 76 -1.476 1.160 8.224 292 HH21 ARG 76 HH21 ARG 76 -1.586 1.231 4.760 293 HH22 ARG 76 HH22 ARG 76 -2.404 1.658 6.225 294 H LYS 77 HN LYS 77 1.025 -5.003 3.242 295 HA LYS 77 HA LYS 77 1.611 -6.593 5.587 296 HB2 LYS 77 HB2 LYS 77 0.031 -7.233 3.085 297 HB3 LYS 77 HB1 LYS 77 0.048 -8.195 4.565 298 HG2 LYS 77 HG2 LYS 77 -0.854 -6.312 5.838 299 HG3 LYS 77 HG1 LYS 77 -0.817 -5.296 4.396 300 HD2 LYS 77 HD2 LYS 77 -2.374 -6.897 3.281 301 HD3 LYS 77 HD1 LYS 77 -2.480 -7.796 4.796 302 HE2 LYS 77 HE2 LYS 77 -3.169 -4.861 4.501 303 HE3 LYS 77 HE1 LYS 77 -4.350 -6.165 4.492 304 HZ1 LYS 77 HZ1 LYS 77 -4.291 -6.259 6.692 305 HZ2 LYS 77 HZ2 LYS 77 -3.305 -4.875 6.695 306 HZ3 LYS 77 HZ3 LYS 77 -2.602 -6.422 6.703 307 H LEU 78 HN LEU 78 1.838 -7.234 2.114 308 HA LEU 78 HA LEU 78 3.233 -9.542 1.987 309 HB2 LEU 78 HB2 LEU 78 3.719 -7.058 0.340 310 HB3 LEU 78 HB1 LEU 78 4.440 -8.617 -0.043 311 HG LEU 78 HG LEU 78 1.458 -8.160 0.276 312 HD11 LEU 78 HD11 LEU 78 3.280 -7.999 -2.104 313 HD12 LEU 78 HD12 LEU 78 1.919 -6.965 -1.672 314 HD13 LEU 78 HD13 LEU 78 1.630 -8.582 -2.313 315 HD21 LEU 78 HD21 LEU 78 1.655 -10.443 0.515 316 HD22 LEU 78 HD22 LEU 78 3.190 -10.515 -0.347 317 HD23 LEU 78 HD23 LEU 78 1.681 -10.366 -1.244 318 H GLN 79 HN GLN 79 5.103 -6.473 1.832 319 HA GLN 79 HA GLN 79 7.574 -7.605 2.407 320 HB2 GLN 79 HB2 GLN 79 7.224 -5.292 1.597 321 HB3 GLN 79 HB1 GLN 79 6.602 -4.845 3.183 322 HG2 GLN 79 HG2 GLN 79 8.772 -5.475 4.201 323 HG3 GLN 79 HG1 GLN 79 9.388 -5.891 2.603 324 HE21 GLN 79 HE21 GLN 79 10.613 -4.225 1.725 325 HE22 GLN 79 HE22 GLN 79 10.343 -2.571 1.995 326 H ALA 80 HN ALA 80 5.164 -6.325 4.663 327 HA ALA 80 HA ALA 80 6.682 -6.564 7.021 328 HB1 ALA 80 HB1 ALA 80 3.710 -6.690 6.545 329 HB2 ALA 80 HB2 ALA 80 4.654 -5.337 7.162 330 HB3 ALA 80 HB3 ALA 80 4.413 -6.772 8.157 331 H ASP 81 HN ASP 81 4.723 -8.925 5.275 332 HA ASP 81 HA ASP 81 5.079 -10.973 7.295 333 HB2 ASP 81 HB2 ASP 81 3.885 -10.992 4.520 334 HB3 ASP 81 HB1 ASP 81 4.003 -12.433 5.528 335 H GLY 82 HN GLY 82 7.067 -9.635 5.059 336 HA2 GLY 82 HA2 GLY 82 9.214 -10.249 4.411 337 HA3 GLY 82 HA1 GLY 82 8.977 -11.789 5.230 338 H ARG 83 HN ARG 83 6.502 -10.939 3.031 339 HA ARG 83 HA ARG 83 6.915 -13.197 1.390 340 HB2 ARG 83 HB2 ARG 83 5.293 -10.679 0.948 341 HB3 ARG 83 HB1 ARG 83 5.241 -12.075 -0.127 342 HG2 ARG 83 HG2 ARG 83 4.774 -12.444 2.822 343 HG3 ARG 83 HG1 ARG 83 3.464 -11.869 1.792 344 HD2 ARG 83 HD2 ARG 83 3.775 -13.856 0.329 345 HD3 ARG 83 HD1 ARG 83 5.028 -14.445 1.413 346 HE ARG 83 HE ARG 83 3.374 -15.043 2.949 347 HH11 ARG 83 HH11 ARG 83 1.201 -15.434 3.484 348 HH12 ARG 83 HH12 ARG 83 -0.060 -14.718 2.535 349 HH21 ARG 83 HH21 ARG 83 2.119 -13.109 0.370 350 HH22 ARG 83 HH22 ARG 83 0.459 -13.402 0.772 351 H ILE 84 HN ILE 84 7.840 -9.819 1.057 352 HA ILE 84 HA ILE 84 9.447 -10.544 -1.318 353 HB ILE 84 HB ILE 84 9.194 -8.174 -2.025 354 HG12 ILE 84 HG12 ILE 84 7.101 -8.042 0.166 355 HG13 ILE 84 HG11 ILE 84 8.701 -7.311 0.299 356 HG21 ILE 84 HG21 ILE 84 7.571 -9.115 -3.260 357 HG22 ILE 84 HG22 ILE 84 6.423 -8.642 -2.007 358 HG23 ILE 84 HG23 ILE 84 7.170 -10.240 -1.964 359 HD11 ILE 84 HD11 ILE 84 8.048 -5.532 -0.912 360 HD12 ILE 84 HD12 ILE 84 6.406 -6.173 -0.881 361 HD13 ILE 84 HD13 ILE 84 7.483 -6.575 -2.216 362 H THR 85 HN THR 85 11.444 -9.310 -1.578 363 HA THR 85 HA THR 85 12.952 -9.266 0.814 364 HB THR 85 HB THR 85 13.827 -9.675 -1.529 365 HG1 THR 85 HG1 THR 85 15.745 -9.064 -0.839 366 HG21 THR 85 HG21 THR 85 12.630 -7.595 -2.418 367 HG22 THR 85 HG22 THR 85 14.299 -7.823 -2.946 368 HG23 THR 85 HG23 THR 85 13.928 -6.664 -1.671 369 H GLU 86 HN GLU 86 13.785 -7.561 2.005 370 HA GLU 86 HA GLU 86 12.157 -5.145 1.970 371 HB2 GLU 86 HB2 GLU 86 14.297 -6.138 3.860 372 HB3 GLU 86 HB1 GLU 86 13.433 -4.613 4.063 373 HG2 GLU 86 HG2 GLU 86 11.295 -5.806 4.161 374 HG3 GLU 86 HG1 GLU 86 12.119 -7.340 3.888 375 H GLU 87 HN GLU 87 15.482 -6.114 1.327 376 HA GLU 87 HA GLU 87 16.708 -3.609 1.315 377 HB2 GLU 87 HB2 GLU 87 18.440 -4.613 -0.041 378 HB3 GLU 87 HB1 GLU 87 17.892 -5.792 1.144 379 HG2 GLU 87 HG2 GLU 87 17.882 -7.079 -0.796 380 HG3 GLU 87 HG1 GLU 87 16.217 -6.512 -0.743 381 H GLN 88 HN GLN 88 14.752 -5.156 -1.197 382 HA GLN 88 HA GLN 88 15.421 -3.370 -3.294 383 HB2 GLN 88 HB2 GLN 88 14.249 -5.512 -3.670 384 HB3 GLN 88 HB1 GLN 88 12.827 -4.873 -2.845 385 HG2 GLN 88 HG2 GLN 88 12.651 -3.081 -4.540 386 HG3 GLN 88 HG1 GLN 88 14.075 -3.722 -5.361 387 HE21 GLN 88 HE21 GLN 88 13.457 -4.918 -7.160 388 HE22 GLN 88 HE22 GLN 88 12.089 -5.920 -7.241 389 H ALA 89 HN ALA 89 12.877 -3.318 -0.830 390 HA ALA 89 HA ALA 89 11.548 -0.993 -1.719 391 HB1 ALA 89 HB1 ALA 89 10.617 -2.604 -0.077 392 HB2 ALA 89 HB2 ALA 89 10.554 -0.939 0.502 393 HB3 ALA 89 HB3 ALA 89 11.794 -2.038 1.108 394 H LYS 90 HN LYS 90 14.237 -1.455 0.546 395 HA LYS 90 HA LYS 90 14.412 1.145 1.526 396 HB2 LYS 90 HB2 LYS 90 16.603 -0.889 1.049 397 HB3 LYS 90 HB1 LYS 90 16.782 0.565 2.026 398 HG2 LYS 90 HG2 LYS 90 14.677 -1.538 2.575 399 HG3 LYS 90 HG1 LYS 90 16.270 -1.563 3.322 400 HD2 LYS 90 HD2 LYS 90 15.776 0.806 4.142 401 HD3 LYS 90 HD1 LYS 90 14.110 0.533 3.636 402 HE2 LYS 90 HE2 LYS 90 14.291 -0.038 5.972 403 HE3 LYS 90 HE1 LYS 90 14.053 -1.518 5.048 404 HZ1 LYS 90 HZ1 LYS 90 16.774 -0.562 5.656 405 HZ2 LYS 90 HZ2 LYS 90 16.247 -2.140 5.307 406 HZ3 LYS 90 HZ3 LYS 90 15.901 -1.439 6.816 407 H ALA 91 HN ALA 91 15.806 -0.257 -1.429 408 HA ALA 91 HA ALA 91 17.578 1.708 -2.150 409 HB1 ALA 91 HB1 ALA 91 15.694 0.727 -4.256 410 HB2 ALA 91 HB2 ALA 91 16.709 -0.451 -3.423 411 HB3 ALA 91 HB3 ALA 91 17.450 0.882 -4.307 412 H TYR 92 HN TYR 92 14.053 1.729 -2.607 413 HA TYR 92 HA TYR 92 13.896 4.239 -3.907 414 HB2 TYR 92 HB2 TYR 92 12.016 2.658 -3.862 415 HB3 TYR 92 HB1 TYR 92 11.877 2.860 -2.116 416 HD1 TYR 92 HD1 TYR 92 11.676 4.677 -5.361 417 HD2 TYR 92 HD2 TYR 92 10.694 4.696 -1.179 418 HE1 TYR 92 HE1 TYR 92 10.236 6.665 -5.710 419 HE2 TYR 92 HE2 TYR 92 9.254 6.686 -1.529 420 HH TYR 92 HH TYR 92 9.391 8.693 -3.735 421 H LYS 93 HN LYS 93 13.625 3.282 -0.526 422 HA LYS 93 HA LYS 93 13.144 5.810 0.601 423 HB2 LYS 93 HB2 LYS 93 12.784 3.574 1.683 424 HB3 LYS 93 HB1 LYS 93 14.528 3.461 1.905 425 HG2 LYS 93 HG2 LYS 93 14.513 5.499 3.266 426 HG3 LYS 93 HG1 LYS 93 12.781 5.689 2.996 427 HD2 LYS 93 HD2 LYS 93 12.385 3.516 4.108 428 HD3 LYS 93 HD1 LYS 93 14.118 3.350 4.388 429 HE2 LYS 93 HE2 LYS 93 14.107 5.417 5.732 430 HE3 LYS 93 HE1 LYS 93 12.374 5.592 5.449 431 HZ1 LYS 93 HZ1 LYS 93 12.058 4.316 7.214 432 HZ2 LYS 93 HZ2 LYS 93 13.718 3.984 7.357 433 HZ3 LYS 93 HZ3 LYS 93 12.738 3.017 6.362 434 H GLU 94 HN GLU 94 16.038 4.641 -0.819 435 HA GLU 94 HA GLU 94 17.959 5.816 0.889 436 HB2 GLU 94 HB2 GLU 94 18.047 5.194 -2.063 437 HB3 GLU 94 HB1 GLU 94 19.423 5.831 -1.170 438 HG2 GLU 94 HG2 GLU 94 19.402 3.911 0.327 439 HG3 GLU 94 HG1 GLU 94 17.943 3.292 -0.440 440 H TYR 95 HN TYR 95 15.882 7.192 -1.586 441 HA TYR 95 HA TYR 95 17.345 9.578 -2.020 442 HB2 TYR 95 HB2 TYR 95 14.447 8.831 -2.343 443 HB3 TYR 95 HB1 TYR 95 15.006 10.476 -2.643 444 HD1 TYR 95 HD1 TYR 95 15.378 6.931 -3.678 445 HD2 TYR 95 HD2 TYR 95 16.319 11.025 -4.573 446 HE1 TYR 95 HE1 TYR 95 16.200 6.253 -5.918 447 HE2 TYR 95 HE2 TYR 95 17.139 10.347 -6.812 448 HH TYR 95 HH TYR 95 16.643 7.144 -8.060 449 H ASN 96 HN ASN 96 14.796 8.723 0.300 450 HA ASN 96 HA ASN 96 14.559 11.285 1.482 451 HB2 ASN 96 HB2 ASN 96 12.930 9.377 1.718 452 HB3 ASN 96 HB1 ASN 96 14.073 8.623 2.827 453 HD21 ASN 96 HD21 ASN 96 12.774 8.872 4.739 454 HD22 ASN 96 HD22 ASN 96 12.406 10.393 5.397 455 H ASP 97 HN ASP 97 16.569 8.471 2.218 456 HA ASP 97 HA ASP 97 17.682 9.391 4.630 457 HB2 ASP 97 HB2 ASP 97 18.713 7.488 2.527 458 HB3 ASP 97 HB1 ASP 97 19.566 7.796 4.039 459 H LYS 98 HN LYS 98 18.672 9.901 1.268 460 HA LYS 98 HA LYS 98 21.182 11.060 1.755 461 HB2 LYS 98 HB2 LYS 98 20.405 10.369 -0.483 462 HB3 LYS 98 HB1 LYS 98 19.226 11.679 -0.474 463 HG2 LYS 98 HG2 LYS 98 21.042 13.335 -0.316 464 HG3 LYS 98 HG1 LYS 98 22.233 12.035 -0.281 465 HD2 LYS 98 HD2 LYS 98 21.494 11.292 -2.514 466 HD3 LYS 98 HD1 LYS 98 20.299 12.589 -2.550 467 HE2 LYS 98 HE2 LYS 98 22.100 14.264 -2.381 468 HE3 LYS 98 HE1 LYS 98 23.300 12.972 -2.334 469 HZ1 LYS 98 HZ1 LYS 98 21.430 13.559 -4.564 470 HZ2 LYS 98 HZ2 LYS 98 22.495 12.237 -4.516 471 HZ3 LYS 98 HZ3 LYS 98 23.105 13.823 -4.559 472 H ASN 99 HN ASN 99 17.966 12.561 1.493 473 HA ASN 99 HA ASN 99 19.067 15.169 2.205 474 HB2 ASN 99 HB2 ASN 99 17.187 14.761 0.498 475 HB3 ASN 99 HB1 ASN 99 16.146 14.493 1.894 476 HD21 ASN 99 HD21 ASN 99 16.860 16.865 -0.232 477 HD22 ASN 99 HD22 ASN 99 16.713 18.230 0.768 478 H GLY 100 HN GLY 100 18.166 12.449 3.846 479 HA2 GLY 100 HA2 GLY 100 18.158 12.189 6.180 480 HA3 GLY 100 HA1 GLY 100 17.895 13.922 6.352 481 H GLY 101 HN GLY 101 16.449 11.882 7.746 482 HA2 GLY 101 HA2 GLY 101 13.937 11.295 6.601 483 HA3 GLY 101 HA1 GLY 101 14.289 11.333 8.327 484 H ALA 102 HN ALA 102 15.076 14.020 8.546 485 HA ALA 102 HA ALA 102 12.639 15.303 8.995 486 HB1 ALA 102 HB1 ALA 102 13.910 16.928 9.922 487 HB2 ALA 102 HB2 ALA 102 14.925 17.087 8.488 488 HB3 ALA 102 HB3 ALA 102 15.240 15.802 9.654 489 H ASN 103 HN ASN 103 14.363 14.908 6.066 490 HA ASN 103 HA ASN 103 13.622 17.261 4.682 491 HB2 ASN 103 HB2 ASN 103 15.280 15.537 3.889 492 HB3 ASN 103 HB1 ASN 103 13.914 14.499 3.483 493 HD21 ASN 103 HD21 ASN 103 14.223 14.608 1.174 494 HD22 ASN 103 HD22 ASN 103 13.994 16.044 0.299 495 H ARG 104 HN ARG 104 12.029 14.119 5.018 496 HA ARG 104 HA ARG 104 9.875 14.355 3.351 497 HB2 ARG 104 HB2 ARG 104 8.740 12.777 4.687 498 HB3 ARG 104 HB1 ARG 104 10.446 12.456 4.993 499 HG2 ARG 104 HG2 ARG 104 10.221 14.066 6.988 500 HG3 ARG 104 HG1 ARG 104 8.479 13.915 6.762 501 HD2 ARG 104 HD2 ARG 104 10.357 11.570 7.156 502 HD3 ARG 104 HD1 ARG 104 9.385 12.295 8.433 503 HE ARG 104 HE ARG 104 7.623 11.662 6.376 504 HH11 ARG 104 HH11 ARG 104 6.456 9.712 6.416 505 HH12 ARG 104 HH12 ARG 104 7.055 8.370 7.334 506 HH21 ARG 104 HH21 ARG 104 9.873 10.051 8.453 507 HH22 ARG 104 HH22 ARG 104 8.989 8.563 8.486 508 H LYS 105 HN LYS 105 7.621 14.955 3.751 509 HA LYS 105 HA LYS 105 6.180 16.759 4.022 510 HB2 LYS 105 HB2 LYS 105 6.991 16.255 6.897 511 HB3 LYS 105 HB1 LYS 105 5.496 17.012 6.354 512 HG2 LYS 105 HG2 LYS 105 6.247 14.238 5.433 513 HG3 LYS 105 HG1 LYS 105 5.430 14.490 6.972 514 HD2 LYS 105 HD2 LYS 105 3.632 15.748 5.747 515 HD3 LYS 105 HD1 LYS 105 4.415 15.303 4.231 516 HE2 LYS 105 HE2 LYS 105 3.487 13.297 6.299 517 HE3 LYS 105 HE1 LYS 105 2.543 13.763 4.884 518 HZ1 LYS 105 HZ1 LYS 105 3.909 11.728 4.585 519 HZ2 LYS 105 HZ2 LYS 105 5.304 12.685 4.743 520 HZ3 LYS 105 HZ3 LYS 105 4.232 12.946 3.450 521 H VAL 106 HN VAL 106 6.251 18.623 6.270 522 HA VAL 106 HA VAL 106 8.695 20.166 5.756 523 HB VAL 106 HB VAL 106 7.363 22.219 5.383 524 HG11 VAL 106 HG11 VAL 106 8.182 20.810 3.480 525 HG12 VAL 106 HG12 VAL 106 6.713 21.705 3.092 526 HG13 VAL 106 HG13 VAL 106 6.625 19.985 3.469 527 HG21 VAL 106 HG21 VAL 106 5.238 20.466 6.225 528 HG22 VAL 106 HG22 VAL 106 4.877 21.082 4.613 529 HG23 VAL 106 HG23 VAL 106 5.180 22.206 5.937 530 H ASN 107 HN ASN 107 9.193 21.677 7.413 531 HA ASN 107 HA ASN 107 9.353 22.388 9.559 532 HB2 ASN 107 HB2 ASN 107 6.361 22.069 9.478 533 HB3 ASN 107 HB1 ASN 107 7.281 23.033 10.620 534 HD21 ASN 107 HD21 ASN 107 8.974 24.562 9.261 535 HD22 ASN 107 HD22 ASN 107 8.222 25.440 8.018 536 H ASP 108 HN ASP 108 9.463 19.522 8.975 537 HA ASP 108 HA ASP 108 9.256 17.447 9.986 538 HB2 ASP 108 HB2 ASP 108 10.384 19.335 12.038 539 HB3 ASP 108 HB1 ASP 108 10.279 17.601 12.320 Start of MODEL 15 1 HA THR 40 HA THR 40 -33.944 1.664 5.192 2 HB THR 40 HB THR 40 -33.074 4.528 4.715 3 HG1 THR 40 HG1 THR 40 -32.258 2.097 3.516 4 HG21 THR 40 HG21 THR 40 -30.771 3.224 5.112 5 HG22 THR 40 HG22 THR 40 -31.806 2.247 6.154 6 HG23 THR 40 HG23 THR 40 -31.652 3.982 6.438 7 H LYS 41 HN LYS 41 -34.862 4.963 6.204 8 HA LYS 41 HA LYS 41 -34.422 4.246 9.006 9 HB2 LYS 41 HB2 LYS 41 -33.616 6.431 8.179 10 HB3 LYS 41 HB1 LYS 41 -35.274 6.867 7.764 11 HG2 LYS 41 HG2 LYS 41 -35.960 6.799 10.066 12 HG3 LYS 41 HG1 LYS 41 -34.441 6.058 10.560 13 HD2 LYS 41 HD2 LYS 41 -34.289 8.378 11.153 14 HD3 LYS 41 HD1 LYS 41 -33.273 8.157 9.731 15 HE2 LYS 41 HE2 LYS 41 -34.987 9.076 8.285 16 HE3 LYS 41 HE1 LYS 41 -36.144 9.123 9.615 17 HZ1 LYS 41 HZ1 LYS 41 -35.112 10.902 10.566 18 HZ2 LYS 41 HZ2 LYS 41 -34.771 11.225 8.933 19 HZ3 LYS 41 HZ3 LYS 41 -33.587 10.520 9.928 20 H GLN 42 HN GLN 42 -36.009 3.597 10.310 21 HA GLN 42 HA GLN 42 -38.110 3.017 11.047 22 HB2 GLN 42 HB2 GLN 42 -38.626 5.749 9.862 23 HB3 GLN 42 HB1 GLN 42 -39.838 4.850 10.777 24 HG2 GLN 42 HG2 GLN 42 -38.428 4.814 12.738 25 HG3 GLN 42 HG1 GLN 42 -37.078 5.501 11.836 26 HE21 GLN 42 HE21 GLN 42 -38.474 6.651 14.232 27 HE22 GLN 42 HE22 GLN 42 -39.044 8.171 13.734 28 H LYS 43 HN LYS 43 -40.645 3.431 10.033 29 HA LYS 43 HA LYS 43 -40.657 2.601 7.239 30 HB2 LYS 43 HB2 LYS 43 -41.949 0.543 7.718 31 HB3 LYS 43 HB1 LYS 43 -40.317 0.475 8.380 32 HG2 LYS 43 HG2 LYS 43 -41.168 1.119 10.595 33 HG3 LYS 43 HG1 LYS 43 -42.804 1.231 9.946 34 HD2 LYS 43 HD2 LYS 43 -41.316 -1.323 9.518 35 HD3 LYS 43 HD1 LYS 43 -41.937 -0.994 11.136 36 HE2 LYS 43 HE2 LYS 43 -43.620 -0.839 8.621 37 HE3 LYS 43 HE1 LYS 43 -43.551 -2.251 9.674 38 HZ1 LYS 43 HZ1 LYS 43 -44.083 -0.492 11.497 39 HZ2 LYS 43 HZ2 LYS 43 -45.329 -1.135 10.540 40 HZ3 LYS 43 HZ3 LYS 43 -44.694 0.402 10.193 41 H GLU 44 HN GLU 44 -42.804 2.518 6.327 42 HA GLU 44 HA GLU 44 -44.477 4.624 7.313 43 HB2 GLU 44 HB2 GLU 44 -44.819 2.637 5.059 44 HB3 GLU 44 HB1 GLU 44 -45.962 3.937 5.401 45 HG2 GLU 44 HG2 GLU 44 -44.219 5.611 5.077 46 HG3 GLU 44 HG1 GLU 44 -43.010 4.347 4.848 47 H ALA 45 HN ALA 45 -46.580 4.493 8.125 48 HA ALA 45 HA ALA 45 -47.122 2.374 9.909 49 HB1 ALA 45 HB1 ALA 45 -49.478 3.448 9.894 50 HB2 ALA 45 HB2 ALA 45 -48.760 4.657 8.830 51 HB3 ALA 45 HB3 ALA 45 -48.123 4.428 10.459 52 H VAL 46 HN VAL 46 -48.271 3.097 6.650 53 HA VAL 46 HA VAL 46 -49.914 0.674 6.621 54 HB VAL 46 HB VAL 46 -50.827 2.795 5.701 55 HG11 VAL 46 HG11 VAL 46 -48.410 3.368 4.803 56 HG12 VAL 46 HG12 VAL 46 -49.837 3.940 3.937 57 HG13 VAL 46 HG13 VAL 46 -48.968 2.514 3.365 58 HG21 VAL 46 HG21 VAL 46 -51.285 0.368 4.767 59 HG22 VAL 46 HG22 VAL 46 -50.412 0.964 3.354 60 HG23 VAL 46 HG23 VAL 46 -51.885 1.773 3.887 61 H ASN 47 HN ASN 47 -49.782 -0.577 4.454 62 HA ASN 47 HA ASN 47 -47.093 -1.577 4.223 63 HB2 ASN 47 HB2 ASN 47 -48.044 -3.222 2.717 64 HB3 ASN 47 HB1 ASN 47 -49.101 -3.043 4.115 65 HD21 ASN 47 HD21 ASN 47 -50.662 -4.020 2.351 66 HD22 ASN 47 HD22 ASN 47 -51.504 -2.890 1.403 67 H ASP 48 HN ASP 48 -46.473 -2.141 1.765 68 HA ASP 48 HA ASP 48 -47.031 -0.111 -0.165 69 HB2 ASP 48 HB2 ASP 48 -45.498 1.030 1.567 70 HB3 ASP 48 HB1 ASP 48 -44.223 0.002 0.916 71 H LYS 49 HN LYS 49 -45.898 -0.430 -2.159 72 HA LYS 49 HA LYS 49 -45.286 -3.194 -2.665 73 HB2 LYS 49 HB2 LYS 49 -45.020 -2.496 -4.990 74 HB3 LYS 49 HB1 LYS 49 -46.487 -1.791 -4.313 75 HG2 LYS 49 HG2 LYS 49 -45.270 0.325 -3.896 76 HG3 LYS 49 HG1 LYS 49 -43.816 -0.377 -4.606 77 HD2 LYS 49 HD2 LYS 49 -45.015 -0.713 -6.736 78 HD3 LYS 49 HD1 LYS 49 -46.465 0.002 -6.031 79 HE2 LYS 49 HE2 LYS 49 -45.246 2.112 -5.654 80 HE3 LYS 49 HE1 LYS 49 -43.792 1.400 -6.354 81 HZ1 LYS 49 HZ1 LYS 49 -45.966 2.600 -7.673 82 HZ2 LYS 49 HZ2 LYS 49 -45.878 0.971 -8.144 83 HZ3 LYS 49 HZ3 LYS 49 -44.531 1.988 -8.340 84 H GLY 50 HN GLY 50 -43.530 -0.969 -1.169 85 HA2 GLY 50 HA2 GLY 50 -41.251 -1.362 -0.537 86 HA3 GLY 50 HA1 GLY 50 -40.979 -2.111 -2.108 87 H LYS 51 HN LYS 51 -42.858 0.617 -2.473 88 HA LYS 51 HA LYS 51 -40.941 2.062 -3.947 89 HB2 LYS 51 HB2 LYS 51 -43.382 2.324 -4.239 90 HB3 LYS 51 HB1 LYS 51 -43.484 3.071 -2.647 91 HG2 LYS 51 HG2 LYS 51 -42.003 4.890 -3.380 92 HG3 LYS 51 HG1 LYS 51 -41.842 4.132 -4.964 93 HD2 LYS 51 HD2 LYS 51 -44.251 4.383 -5.354 94 HD3 LYS 51 HD1 LYS 51 -44.450 5.089 -3.750 95 HE2 LYS 51 HE2 LYS 51 -44.336 6.867 -5.435 96 HE3 LYS 51 HE1 LYS 51 -42.913 6.932 -4.394 97 HZ1 LYS 51 HZ1 LYS 51 -41.557 6.140 -6.034 98 HZ2 LYS 51 HZ2 LYS 51 -42.670 7.017 -6.971 99 HZ3 LYS 51 HZ3 LYS 51 -42.804 5.327 -6.848 100 H ALA 52 HN ALA 52 -42.044 2.301 -0.606 101 HA ALA 52 HA ALA 52 -40.755 4.679 0.123 102 HB1 ALA 52 HB1 ALA 52 -42.459 3.308 1.460 103 HB2 ALA 52 HB2 ALA 52 -41.137 4.040 2.369 104 HB3 ALA 52 HB3 ALA 52 -41.091 2.321 1.973 105 H ALA 53 HN ALA 53 -39.547 1.393 -0.190 106 HA ALA 53 HA ALA 53 -37.183 1.510 1.237 107 HB1 ALA 53 HB1 ALA 53 -36.359 -0.225 -0.196 108 HB2 ALA 53 HB2 ALA 53 -37.431 0.263 -1.507 109 HB3 ALA 53 HB3 ALA 53 -38.099 -0.469 -0.048 110 H VAL 54 HN VAL 54 -35.161 2.336 0.907 111 HA VAL 54 HA VAL 54 -34.964 4.517 -1.009 112 HB VAL 54 HB VAL 54 -33.085 3.560 1.158 113 HG11 VAL 54 HG11 VAL 54 -31.561 4.771 -0.006 114 HG12 VAL 54 HG12 VAL 54 -32.457 6.177 0.570 115 HG13 VAL 54 HG13 VAL 54 -32.797 5.509 -1.025 116 HG21 VAL 54 HG21 VAL 54 -35.406 4.624 1.686 117 HG22 VAL 54 HG22 VAL 54 -34.674 6.119 1.102 118 HG23 VAL 54 HG23 VAL 54 -33.980 5.281 2.490 119 H VAL 55 HN VAL 55 -34.068 4.347 -2.932 120 HA VAL 55 HA VAL 55 -32.902 1.973 -3.935 121 HB VAL 55 HB VAL 55 -32.895 4.815 -4.967 122 HG11 VAL 55 HG11 VAL 55 -31.556 2.345 -5.942 123 HG12 VAL 55 HG12 VAL 55 -31.121 4.036 -6.195 124 HG13 VAL 55 HG13 VAL 55 -32.409 3.303 -7.152 125 HG21 VAL 55 HG21 VAL 55 -34.316 2.506 -6.233 126 HG22 VAL 55 HG22 VAL 55 -34.773 4.209 -6.180 127 HG23 VAL 55 HG23 VAL 55 -35.000 3.189 -4.758 128 H LYS 56 HN LYS 56 -31.521 4.989 -2.716 129 HA LYS 56 HA LYS 56 -28.835 4.503 -3.399 130 HB2 LYS 56 HB2 LYS 56 -30.061 6.138 -1.171 131 HB3 LYS 56 HB1 LYS 56 -28.337 6.138 -1.548 132 HG2 LYS 56 HG2 LYS 56 -28.839 6.871 -3.851 133 HG3 LYS 56 HG1 LYS 56 -30.562 6.877 -3.473 134 HD2 LYS 56 HD2 LYS 56 -30.180 8.573 -1.724 135 HD3 LYS 56 HD1 LYS 56 -28.456 8.569 -2.095 136 HE2 LYS 56 HE2 LYS 56 -28.942 9.310 -4.396 137 HE3 LYS 56 HE1 LYS 56 -30.668 9.308 -4.034 138 HZ1 LYS 56 HZ1 LYS 56 -29.089 10.794 -2.143 139 HZ2 LYS 56 HZ2 LYS 56 -30.515 11.236 -2.955 140 HZ3 LYS 56 HZ3 LYS 56 -29.007 11.418 -3.717 141 H VAL 57 HN VAL 57 -30.831 3.072 -0.994 142 HA VAL 57 HA VAL 57 -29.108 2.438 1.063 143 HB VAL 57 HB VAL 57 -31.557 1.806 0.849 144 HG11 VAL 57 HG11 VAL 57 -30.585 -0.741 -0.409 145 HG12 VAL 57 HG12 VAL 57 -30.967 0.638 -1.439 146 HG13 VAL 57 HG13 VAL 57 -32.210 -0.055 -0.397 147 HG21 VAL 57 HG21 VAL 57 -30.931 0.746 2.745 148 HG22 VAL 57 HG22 VAL 57 -29.351 0.340 2.074 149 HG23 VAL 57 HG23 VAL 57 -30.737 -0.705 1.761 150 H VAL 58 HN VAL 58 -29.060 1.324 -2.218 151 HA VAL 58 HA VAL 58 -27.638 -1.072 -1.994 152 HB VAL 58 HB VAL 58 -28.644 -0.110 -4.095 153 HG11 VAL 58 HG11 VAL 58 -27.534 1.590 -5.301 154 HG12 VAL 58 HG12 VAL 58 -26.059 1.425 -4.348 155 HG13 VAL 58 HG13 VAL 58 -27.491 2.163 -3.633 156 HG21 VAL 58 HG21 VAL 58 -26.075 -0.601 -5.202 157 HG22 VAL 58 HG22 VAL 58 -27.403 -1.748 -5.024 158 HG23 VAL 58 HG23 VAL 58 -26.194 -1.594 -3.750 159 H GLU 59 HN GLU 59 -26.652 2.176 -1.428 160 HA GLU 59 HA GLU 59 -23.887 2.010 -1.896 161 HB2 GLU 59 HB2 GLU 59 -25.504 3.678 0.036 162 HB3 GLU 59 HB1 GLU 59 -23.764 3.876 -0.189 163 HG2 GLU 59 HG2 GLU 59 -24.064 4.391 -2.536 164 HG3 GLU 59 HG1 GLU 59 -25.784 4.016 -2.443 165 H SER 60 HN SER 60 -25.852 1.043 0.865 166 HA SER 60 HA SER 60 -23.799 0.658 2.744 167 HB2 SER 60 HB2 SER 60 -25.361 -0.837 3.888 168 HB3 SER 60 HB1 SER 60 -26.207 0.595 3.306 169 HG SER 60 HG SER 60 -27.002 -0.597 1.603 170 H GLN 61 HN GLN 61 -24.911 -1.319 0.065 171 HA GLN 61 HA GLN 61 -23.612 -3.733 0.764 172 HB2 GLN 61 HB2 GLN 61 -25.337 -3.557 -1.009 173 HB3 GLN 61 HB1 GLN 61 -24.200 -2.642 -2.000 174 HG2 GLN 61 HG2 GLN 61 -22.661 -4.529 -2.051 175 HG3 GLN 61 HG1 GLN 61 -23.699 -5.445 -0.960 176 HE21 GLN 61 HE21 GLN 61 -24.084 -7.133 -2.567 177 HE22 GLN 61 HE22 GLN 61 -25.057 -6.846 -3.928 178 H ALA 62 HN ALA 62 -22.580 -0.881 -1.034 179 HA ALA 62 HA ALA 62 -20.076 -1.815 -1.918 180 HB1 ALA 62 HB1 ALA 62 -19.806 0.289 -2.725 181 HB2 ALA 62 HB2 ALA 62 -20.252 1.042 -1.195 182 HB3 ALA 62 HB3 ALA 62 -21.506 0.466 -2.292 183 H GLU 63 HN GLU 63 -21.091 -0.311 1.104 184 HA GLU 63 HA GLU 63 -18.570 0.239 2.195 185 HB2 GLU 63 HB2 GLU 63 -21.213 -0.427 3.492 186 HB3 GLU 63 HB1 GLU 63 -19.782 0.026 4.416 187 HG2 GLU 63 HG2 GLU 63 -20.908 1.713 2.169 188 HG3 GLU 63 HG1 GLU 63 -21.339 1.947 3.862 189 H LEU 64 HN LEU 64 -20.450 -2.757 2.143 190 HA LEU 64 HA LEU 64 -18.951 -4.199 4.035 191 HB2 LEU 64 HB2 LEU 64 -20.473 -5.108 1.586 192 HB3 LEU 64 HB1 LEU 64 -19.770 -6.224 2.753 193 HG LEU 64 HG LEU 64 -21.736 -4.027 3.470 194 HD11 LEU 64 HD11 LEU 64 -22.996 -6.450 3.882 195 HD12 LEU 64 HD12 LEU 64 -22.124 -6.719 2.373 196 HD13 LEU 64 HD13 LEU 64 -23.266 -5.383 2.504 197 HD21 LEU 64 HD21 LEU 64 -20.756 -4.513 5.497 198 HD22 LEU 64 HD22 LEU 64 -20.251 -6.124 4.995 199 HD23 LEU 64 HD23 LEU 64 -21.927 -5.830 5.456 200 H TYR 65 HN TYR 65 -18.472 -3.704 0.556 201 HA TYR 65 HA TYR 65 -16.246 -5.467 0.310 202 HB2 TYR 65 HB2 TYR 65 -17.248 -3.163 -1.364 203 HB3 TYR 65 HB1 TYR 65 -15.802 -4.077 -1.788 204 HD1 TYR 65 HD1 TYR 65 -19.463 -4.190 -1.457 205 HD2 TYR 65 HD2 TYR 65 -15.933 -6.439 -2.419 206 HE1 TYR 65 HE1 TYR 65 -20.870 -5.976 -2.447 207 HE2 TYR 65 HE2 TYR 65 -17.341 -8.224 -3.410 208 HH TYR 65 HH TYR 65 -19.788 -8.249 -4.484 209 H SER 66 HN SER 66 -16.607 -2.065 1.117 210 HA SER 66 HA SER 66 -13.903 -1.289 0.932 211 HB2 SER 66 HB2 SER 66 -16.140 -0.246 2.683 212 HB3 SER 66 HB1 SER 66 -14.572 0.536 2.509 213 HG SER 66 HG SER 66 -15.059 1.097 0.502 214 H LEU 67 HN LEU 67 -15.772 -2.786 3.510 215 HA LEU 67 HA LEU 67 -13.935 -2.543 5.611 216 HB2 LEU 67 HB2 LEU 67 -16.268 -3.260 5.919 217 HB3 LEU 67 HB1 LEU 67 -15.926 -4.760 5.064 218 HG LEU 67 HG LEU 67 -14.271 -5.371 6.803 219 HD11 LEU 67 HD11 LEU 67 -14.964 -2.620 7.753 220 HD12 LEU 67 HD12 LEU 67 -13.405 -3.448 7.755 221 HD13 LEU 67 HD13 LEU 67 -14.620 -3.853 8.967 222 HD21 LEU 67 HD21 LEU 67 -17.116 -5.143 7.116 223 HD22 LEU 67 HD22 LEU 67 -16.347 -4.905 8.687 224 HD23 LEU 67 HD23 LEU 67 -16.035 -6.377 7.767 225 H GLU 68 HN GLU 68 -14.229 -4.985 3.060 226 HA GLU 68 HA GLU 68 -12.354 -6.835 4.039 227 HB2 GLU 68 HB2 GLU 68 -13.167 -6.148 1.205 228 HB3 GLU 68 HB1 GLU 68 -12.137 -7.516 1.625 229 HG2 GLU 68 HG2 GLU 68 -14.886 -7.080 2.813 230 HG3 GLU 68 HG1 GLU 68 -14.590 -8.084 1.393 231 H LYS 69 HN LYS 69 -11.946 -3.911 2.101 232 HA LYS 69 HA LYS 69 -9.039 -4.337 1.974 233 HB2 LYS 69 HB2 LYS 69 -10.721 -2.094 0.819 234 HB3 LYS 69 HB1 LYS 69 -9.022 -2.406 0.477 235 HG2 LYS 69 HG2 LYS 69 -11.252 -4.369 -0.131 236 HG3 LYS 69 HG1 LYS 69 -10.597 -3.235 -1.308 237 HD2 LYS 69 HD2 LYS 69 -8.315 -4.257 -0.879 238 HD3 LYS 69 HD1 LYS 69 -9.129 -5.506 0.062 239 HE2 LYS 69 HE2 LYS 69 -10.506 -6.098 -1.894 240 HE3 LYS 69 HE1 LYS 69 -9.677 -4.865 -2.845 241 HZ1 LYS 69 HZ1 LYS 69 -8.800 -7.184 -3.077 242 HZ2 LYS 69 HZ2 LYS 69 -8.250 -7.069 -1.473 243 HZ3 LYS 69 HZ3 LYS 69 -7.645 -6.013 -2.660 244 H ASN 70 HN ASN 70 -11.436 -2.639 3.716 245 HA ASN 70 HA ASN 70 -11.362 -1.037 5.373 246 HB2 ASN 70 HB2 ASN 70 -9.885 -2.985 6.248 247 HB3 ASN 70 HB1 ASN 70 -8.532 -1.912 5.895 248 HD21 ASN 70 HD21 ASN 70 -7.988 -1.463 8.113 249 HD22 ASN 70 HD22 ASN 70 -9.023 -0.599 9.143 250 H GLU 71 HN GLU 71 -10.306 -0.422 2.639 251 HA GLU 71 HA GLU 71 -9.094 1.196 1.523 252 HB2 GLU 71 HB2 GLU 71 -10.161 2.671 3.936 253 HB3 GLU 71 HB1 GLU 71 -9.415 3.473 2.551 254 HG2 GLU 71 HG2 GLU 71 -11.085 2.552 1.049 255 HG3 GLU 71 HG1 GLU 71 -11.778 1.587 2.351 256 H ASP 72 HN ASP 72 -7.704 -0.359 3.801 257 HA ASP 72 HA ASP 72 -5.193 1.041 3.580 258 HB2 ASP 72 HB2 ASP 72 -6.504 2.105 5.546 259 HB3 ASP 72 HB1 ASP 72 -6.176 0.593 6.390 260 H ALA 73 HN ALA 73 -3.411 -0.205 4.552 261 HA ALA 73 HA ALA 73 -4.061 -2.981 5.242 262 HB1 ALA 73 HB1 ALA 73 -3.730 -3.320 2.948 263 HB2 ALA 73 HB2 ALA 73 -2.137 -3.644 3.631 264 HB3 ALA 73 HB3 ALA 73 -2.465 -2.096 2.854 265 H SER 74 HN SER 74 -2.506 -3.988 6.513 266 HA SER 74 HA SER 74 -0.912 -2.318 8.129 267 HB2 SER 74 HB2 SER 74 -1.798 -4.473 8.901 268 HB3 SER 74 HB1 SER 74 -0.767 -5.315 7.750 269 HG SER 74 HG SER 74 0.552 -5.282 9.412 270 H LEU 75 HN LEU 75 1.465 -3.465 8.508 271 HA LEU 75 HA LEU 75 2.972 -2.640 6.123 272 HB2 LEU 75 HB2 LEU 75 3.540 -2.887 9.028 273 HB3 LEU 75 HB1 LEU 75 4.881 -3.255 7.943 274 HG LEU 75 HG LEU 75 4.576 -1.088 6.813 275 HD11 LEU 75 HD11 LEU 75 3.006 0.515 8.234 276 HD12 LEU 75 HD12 LEU 75 2.199 -1.002 8.632 277 HD13 LEU 75 HD13 LEU 75 2.339 -0.493 6.950 278 HD21 LEU 75 HD21 LEU 75 5.428 -1.496 9.517 279 HD22 LEU 75 HD22 LEU 75 4.651 0.085 9.419 280 HD23 LEU 75 HD23 LEU 75 6.008 -0.298 8.361 281 H ARG 76 HN ARG 76 2.564 -5.425 8.277 282 HA ARG 76 HA ARG 76 4.458 -7.110 7.088 283 HB2 ARG 76 HB2 ARG 76 1.892 -7.699 8.574 284 HB3 ARG 76 HB1 ARG 76 3.002 -8.965 8.052 285 HG2 ARG 76 HG2 ARG 76 4.085 -6.639 9.608 286 HG3 ARG 76 HG1 ARG 76 3.223 -7.914 10.468 287 HD2 ARG 76 HD2 ARG 76 5.565 -8.405 8.602 288 HD3 ARG 76 HD1 ARG 76 5.698 -8.289 10.350 289 HE ARG 76 HE ARG 76 3.747 -10.204 9.836 290 HH11 ARG 76 HH11 ARG 76 4.280 -12.412 9.817 291 HH12 ARG 76 HH12 ARG 76 5.917 -12.900 9.526 292 HH21 ARG 76 HH21 ARG 76 7.098 -9.657 9.172 293 HH22 ARG 76 HH22 ARG 76 7.513 -11.339 9.161 294 H LYS 77 HN LYS 77 0.986 -6.680 6.329 295 HA LYS 77 HA LYS 77 0.915 -8.703 4.332 296 HB2 LYS 77 HB2 LYS 77 -0.734 -6.196 4.711 297 HB3 LYS 77 HB1 LYS 77 -1.098 -7.432 3.507 298 HG2 LYS 77 HG2 LYS 77 -1.175 -9.126 5.361 299 HG3 LYS 77 HG1 LYS 77 -1.002 -7.806 6.513 300 HD2 LYS 77 HD2 LYS 77 -3.218 -7.887 4.455 301 HD3 LYS 77 HD1 LYS 77 -3.392 -8.579 6.066 302 HE2 LYS 77 HE2 LYS 77 -2.769 -6.323 7.013 303 HE3 LYS 77 HE1 LYS 77 -2.847 -5.679 5.374 304 HZ1 LYS 77 HZ1 LYS 77 -5.150 -7.222 5.983 305 HZ2 LYS 77 HZ2 LYS 77 -5.040 -5.611 5.455 306 HZ3 LYS 77 HZ3 LYS 77 -4.943 -5.973 7.113 307 H LEU 78 HN LEU 78 1.195 -5.184 4.128 308 HA LEU 78 HA LEU 78 1.488 -4.684 1.507 309 HB2 LEU 78 HB2 LEU 78 2.571 -3.494 3.942 310 HB3 LEU 78 HB1 LEU 78 3.596 -3.206 2.537 311 HG LEU 78 HG LEU 78 1.652 -2.338 1.289 312 HD11 LEU 78 HD11 LEU 78 -0.189 -1.916 3.425 313 HD12 LEU 78 HD12 LEU 78 0.193 -3.635 3.381 314 HD13 LEU 78 HD13 LEU 78 -0.436 -2.836 1.942 315 HD21 LEU 78 HD21 LEU 78 2.504 -0.438 2.170 316 HD22 LEU 78 HD22 LEU 78 2.709 -1.168 3.762 317 HD23 LEU 78 HD23 LEU 78 1.145 -0.503 3.292 318 H GLN 79 HN GLN 79 4.344 -5.507 3.520 319 HA GLN 79 HA GLN 79 6.098 -5.820 1.353 320 HB2 GLN 79 HB2 GLN 79 6.769 -5.565 3.750 321 HB3 GLN 79 HB1 GLN 79 6.245 -7.224 4.027 322 HG2 GLN 79 HG2 GLN 79 7.852 -7.989 2.281 323 HG3 GLN 79 HG1 GLN 79 8.416 -6.325 2.109 324 HE21 GLN 79 HE21 GLN 79 10.309 -5.990 3.263 325 HE22 GLN 79 HE22 GLN 79 10.687 -6.716 4.750 326 H ALA 80 HN ALA 80 4.068 -8.171 3.047 327 HA ALA 80 HA ALA 80 4.999 -10.438 1.584 328 HB1 ALA 80 HB1 ALA 80 3.160 -11.623 2.593 329 HB2 ALA 80 HB2 ALA 80 2.334 -10.113 2.974 330 HB3 ALA 80 HB3 ALA 80 3.831 -10.533 3.807 331 H ASP 81 HN ASP 81 2.773 -7.903 0.900 332 HA ASP 81 HA ASP 81 1.435 -9.398 -1.230 333 HB2 ASP 81 HB2 ASP 81 1.031 -6.632 -0.087 334 HB3 ASP 81 HB1 ASP 81 0.143 -7.241 -1.482 335 H GLY 82 HN GLY 82 4.339 -7.993 -1.039 336 HA2 GLY 82 HA2 GLY 82 5.808 -7.446 -2.746 337 HA3 GLY 82 HA1 GLY 82 4.469 -7.546 -3.884 338 H ARG 83 HN ARG 83 3.462 -5.574 -1.414 339 HA ARG 83 HA ARG 83 3.479 -3.242 -3.012 340 HB2 ARG 83 HB2 ARG 83 3.082 -3.582 -0.032 341 HB3 ARG 83 HB1 ARG 83 2.784 -2.082 -0.901 342 HG2 ARG 83 HG2 ARG 83 1.421 -4.690 -1.625 343 HG3 ARG 83 HG1 ARG 83 0.733 -3.550 -0.476 344 HD2 ARG 83 HD2 ARG 83 0.829 -1.786 -2.271 345 HD3 ARG 83 HD1 ARG 83 1.326 -3.031 -3.407 346 HE ARG 83 HE ARG 83 -1.327 -2.703 -2.266 347 HH11 ARG 83 HH11 ARG 83 -2.921 -4.020 -3.197 348 HH12 ARG 83 HH12 ARG 83 -2.460 -5.320 -4.245 349 HH21 ARG 83 HH21 ARG 83 0.939 -4.695 -3.973 350 HH22 ARG 83 HH22 ARG 83 -0.279 -5.701 -4.684 351 H ILE 84 HN ILE 84 5.596 -4.359 -0.411 352 HA ILE 84 HA ILE 84 7.562 -2.348 -1.283 353 HB ILE 84 HB ILE 84 8.201 -1.873 1.027 354 HG12 ILE 84 HG12 ILE 84 5.802 -3.558 1.823 355 HG13 ILE 84 HG11 ILE 84 7.479 -4.065 2.008 356 HG21 ILE 84 HG21 ILE 84 5.941 -0.945 -0.263 357 HG22 ILE 84 HG22 ILE 84 6.636 -0.245 1.198 358 HG23 ILE 84 HG23 ILE 84 5.316 -1.411 1.320 359 HD11 ILE 84 HD11 ILE 84 7.599 -2.980 3.959 360 HD12 ILE 84 HD12 ILE 84 5.932 -2.434 3.769 361 HD13 ILE 84 HD13 ILE 84 7.256 -1.460 3.131 362 H THR 85 HN THR 85 9.660 -3.079 -1.325 363 HA THR 85 HA THR 85 10.065 -5.888 -0.475 364 HB THR 85 HB THR 85 11.776 -6.056 -2.236 365 HG1 THR 85 HG1 THR 85 12.329 -3.891 -2.399 366 HG21 THR 85 HG21 THR 85 9.476 -6.744 -2.731 367 HG22 THR 85 HG22 THR 85 10.229 -6.031 -4.158 368 HG23 THR 85 HG23 THR 85 9.075 -5.095 -3.208 369 H GLU 86 HN GLU 86 11.626 -6.295 0.965 370 HA GLU 86 HA GLU 86 12.933 -4.228 2.354 371 HB2 GLU 86 HB2 GLU 86 12.509 -6.483 3.296 372 HB3 GLU 86 HB1 GLU 86 13.705 -7.153 2.186 373 HG2 GLU 86 HG2 GLU 86 15.454 -5.749 3.185 374 HG3 GLU 86 HG1 GLU 86 14.267 -5.013 4.260 375 H GLU 87 HN GLU 87 13.934 -6.307 -0.290 376 HA GLU 87 HA GLU 87 16.667 -5.637 -0.357 377 HB2 GLU 87 HB2 GLU 87 14.771 -6.545 -2.525 378 HB3 GLU 87 HB1 GLU 87 16.503 -6.341 -2.784 379 HG2 GLU 87 HG2 GLU 87 17.012 -7.974 -1.067 380 HG3 GLU 87 HG1 GLU 87 15.310 -8.093 -0.619 381 H GLN 88 HN GLN 88 13.858 -4.090 -1.944 382 HA GLN 88 HA GLN 88 15.615 -2.095 -3.149 383 HB2 GLN 88 HB2 GLN 88 13.892 -1.620 -4.548 384 HB3 GLN 88 HB1 GLN 88 13.338 -3.208 -4.045 385 HG2 GLN 88 HG2 GLN 88 12.073 -2.001 -2.158 386 HG3 GLN 88 HG1 GLN 88 12.416 -0.511 -3.034 387 HE21 GLN 88 HE21 GLN 88 9.960 -2.620 -2.634 388 HE22 GLN 88 HE22 GLN 88 9.254 -2.559 -4.177 389 H ALA 89 HN ALA 89 13.705 -2.497 -0.328 390 HA ALA 89 HA ALA 89 12.952 0.151 0.208 391 HB1 ALA 89 HB1 ALA 89 13.719 -2.026 2.171 392 HB2 ALA 89 HB2 ALA 89 12.107 -1.755 1.504 393 HB3 ALA 89 HB3 ALA 89 12.835 -0.553 2.569 394 H LYS 90 HN LYS 90 15.945 -1.593 1.120 395 HA LYS 90 HA LYS 90 17.100 0.704 2.389 396 HB2 LYS 90 HB2 LYS 90 18.132 -1.997 1.555 397 HB3 LYS 90 HB1 LYS 90 19.222 -0.754 2.166 398 HG2 LYS 90 HG2 LYS 90 18.323 -2.357 3.921 399 HG3 LYS 90 HG1 LYS 90 18.064 -0.648 4.265 400 HD2 LYS 90 HD2 LYS 90 15.767 -0.766 3.614 401 HD3 LYS 90 HD1 LYS 90 15.986 -2.356 2.879 402 HE2 LYS 90 HE2 LYS 90 16.288 -1.745 5.835 403 HE3 LYS 90 HE1 LYS 90 14.884 -2.512 5.096 404 HZ1 LYS 90 HZ1 LYS 90 16.771 -4.074 4.146 405 HZ2 LYS 90 HZ2 LYS 90 16.043 -4.355 5.656 406 HZ3 LYS 90 HZ3 LYS 90 17.555 -3.584 5.568 407 H ALA 91 HN ALA 91 16.862 -0.433 -0.841 408 HA ALA 91 HA ALA 91 19.201 0.691 -1.965 409 HB1 ALA 91 HB1 ALA 91 18.118 0.449 -4.094 410 HB2 ALA 91 HB2 ALA 91 16.525 0.407 -3.340 411 HB3 ALA 91 HB3 ALA 91 17.648 -0.932 -3.102 412 H TYR 92 HN TYR 92 15.976 2.020 -1.388 413 HA TYR 92 HA TYR 92 16.309 4.478 -2.712 414 HB2 TYR 92 HB2 TYR 92 14.121 3.714 -1.951 415 HB3 TYR 92 HB1 TYR 92 14.646 3.815 -0.271 416 HD1 TYR 92 HD1 TYR 92 14.113 5.843 -3.356 417 HD2 TYR 92 HD2 TYR 92 14.561 5.865 0.916 418 HE1 TYR 92 HE1 TYR 92 13.483 8.242 -3.302 419 HE2 TYR 92 HE2 TYR 92 13.934 8.264 0.970 420 HH TYR 92 HH TYR 92 13.401 10.091 -2.023 421 H LYS 93 HN LYS 93 16.877 3.590 0.683 422 HA LYS 93 HA LYS 93 17.729 6.116 1.579 423 HB2 LYS 93 HB2 LYS 93 17.095 4.226 3.053 424 HB3 LYS 93 HB1 LYS 93 18.584 3.399 2.605 425 HG2 LYS 93 HG2 LYS 93 19.889 5.351 3.467 426 HG3 LYS 93 HG1 LYS 93 18.380 6.090 3.996 427 HD2 LYS 93 HD2 LYS 93 19.228 3.332 4.901 428 HD3 LYS 93 HD1 LYS 93 19.704 4.789 5.767 429 HE2 LYS 93 HE2 LYS 93 17.250 5.391 5.925 430 HE3 LYS 93 HE1 LYS 93 16.882 3.794 5.276 431 HZ1 LYS 93 HZ1 LYS 93 17.681 2.745 7.133 432 HZ2 LYS 93 HZ2 LYS 93 16.994 4.141 7.816 433 HZ3 LYS 93 HZ3 LYS 93 18.676 4.041 7.589 434 H GLU 94 HN GLU 94 19.549 3.405 0.157 435 HA GLU 94 HA GLU 94 22.127 4.483 0.567 436 HB2 GLU 94 HB2 GLU 94 21.045 2.484 -1.420 437 HB3 GLU 94 HB1 GLU 94 22.756 2.896 -1.300 438 HG2 GLU 94 HG2 GLU 94 22.836 2.156 1.005 439 HG3 GLU 94 HG1 GLU 94 21.090 1.912 1.032 440 H TYR 95 HN TYR 95 19.756 4.866 -2.015 441 HA TYR 95 HA TYR 95 21.457 6.128 -3.897 442 HB2 TYR 95 HB2 TYR 95 18.514 5.886 -3.495 443 HB3 TYR 95 HB1 TYR 95 19.094 7.156 -4.572 444 HD1 TYR 95 HD1 TYR 95 20.439 3.721 -3.890 445 HD2 TYR 95 HD2 TYR 95 18.729 6.416 -6.766 446 HE1 TYR 95 HE1 TYR 95 20.799 2.042 -5.677 447 HE2 TYR 95 HE2 TYR 95 19.092 4.737 -8.554 448 HH TYR 95 HH TYR 95 21.049 1.975 -8.112 449 H ASN 96 HN ASN 96 19.485 7.346 -1.240 450 HA ASN 96 HA ASN 96 19.718 10.101 -1.809 451 HB2 ASN 96 HB2 ASN 96 19.307 8.602 0.781 452 HB3 ASN 96 HB1 ASN 96 19.291 10.362 0.681 453 HD21 ASN 96 HD21 ASN 96 16.959 8.823 1.434 454 HD22 ASN 96 HD22 ASN 96 15.791 9.030 0.219 455 H ASP 97 HN ASP 97 21.766 7.892 0.056 456 HA ASP 97 HA ASP 97 23.559 9.846 1.054 457 HB2 ASP 97 HB2 ASP 97 23.377 7.527 1.934 458 HB3 ASP 97 HB1 ASP 97 24.117 6.933 0.448 459 H LYS 98 HN LYS 98 23.606 7.807 -1.843 460 HA LYS 98 HA LYS 98 26.136 8.574 -2.815 461 HB2 LYS 98 HB2 LYS 98 24.869 6.632 -3.654 462 HB3 LYS 98 HB1 LYS 98 23.686 7.719 -4.377 463 HG2 LYS 98 HG2 LYS 98 25.436 8.702 -5.803 464 HG3 LYS 98 HG1 LYS 98 26.642 7.651 -5.061 465 HD2 LYS 98 HD2 LYS 98 25.420 5.668 -5.878 466 HD3 LYS 98 HD1 LYS 98 24.211 6.719 -6.617 467 HE2 LYS 98 HE2 LYS 98 25.948 7.727 -8.046 468 HE3 LYS 98 HE1 LYS 98 27.165 6.688 -7.304 469 HZ1 LYS 98 HZ1 LYS 98 25.457 4.843 -8.027 470 HZ2 LYS 98 HZ2 LYS 98 26.631 5.435 -9.103 471 HZ3 LYS 98 HZ3 LYS 98 25.034 6.006 -9.187 472 H ASN 99 HN ASN 99 22.901 9.923 -3.370 473 HA ASN 99 HA ASN 99 23.682 11.864 -5.278 474 HB2 ASN 99 HB2 ASN 99 21.331 11.683 -3.392 475 HB3 ASN 99 HB1 ASN 99 21.522 12.990 -4.559 476 HD21 ASN 99 HD21 ASN 99 19.351 11.072 -4.680 477 HD22 ASN 99 HD22 ASN 99 19.546 10.170 -6.104 478 H GLY 100 HN GLY 100 23.732 11.771 -1.785 479 HA2 GLY 100 HA2 GLY 100 24.980 13.135 -0.354 480 HA3 GLY 100 HA1 GLY 100 25.349 14.187 -1.718 481 H GLY 101 HN GLY 101 22.094 13.545 -1.723 482 HA2 GLY 101 HA2 GLY 101 21.384 16.220 -0.995 483 HA3 GLY 101 HA1 GLY 101 20.268 14.920 -1.403 484 H ALA 102 HN ALA 102 22.075 13.511 0.837 485 HA ALA 102 HA ALA 102 20.127 13.552 2.863 486 HB1 ALA 102 HB1 ALA 102 21.935 11.808 2.491 487 HB2 ALA 102 HB2 ALA 102 21.668 12.285 4.169 488 HB3 ALA 102 HB3 ALA 102 23.050 12.925 3.280 489 H ASN 103 HN ASN 103 23.106 15.425 2.444 490 HA ASN 103 HA ASN 103 22.838 16.739 5.005 491 HB2 ASN 103 HB2 ASN 103 25.039 16.311 3.876 492 HB3 ASN 103 HB1 ASN 103 24.594 17.514 2.667 493 HD21 ASN 103 HD21 ASN 103 26.196 19.088 3.287 494 HD22 ASN 103 HD22 ASN 103 26.150 19.884 4.786 495 H ARG 104 HN ARG 104 21.175 18.081 5.276 496 HA ARG 104 HA ARG 104 20.737 20.190 3.256 497 HB2 ARG 104 HB2 ARG 104 18.626 18.591 4.722 498 HB3 ARG 104 HB1 ARG 104 18.295 20.044 3.781 499 HG2 ARG 104 HG2 ARG 104 19.231 18.971 1.780 500 HG3 ARG 104 HG1 ARG 104 19.574 17.517 2.718 501 HD2 ARG 104 HD2 ARG 104 17.168 17.277 3.221 502 HD3 ARG 104 HD1 ARG 104 16.829 18.720 2.267 503 HE ARG 104 HE ARG 104 18.269 16.919 0.669 504 HH11 ARG 104 HH11 ARG 104 17.151 15.647 -0.850 505 HH12 ARG 104 HH12 ARG 104 15.452 15.375 -0.657 506 HH21 ARG 104 HH21 ARG 104 15.211 17.249 2.250 507 HH22 ARG 104 HH22 ARG 104 14.354 16.283 1.098 508 H LYS 105 HN LYS 105 19.676 22.113 4.141 509 HA LYS 105 HA LYS 105 20.942 23.072 6.458 510 HB2 LYS 105 HB2 LYS 105 19.220 24.943 6.292 511 HB3 LYS 105 HB1 LYS 105 20.219 24.677 4.865 512 HG2 LYS 105 HG2 LYS 105 18.402 23.311 3.866 513 HG3 LYS 105 HG1 LYS 105 17.398 23.637 5.277 514 HD2 LYS 105 HD2 LYS 105 17.609 26.083 4.804 515 HD3 LYS 105 HD1 LYS 105 18.488 25.686 3.327 516 HE2 LYS 105 HE2 LYS 105 15.672 24.766 3.979 517 HE3 LYS 105 HE1 LYS 105 16.081 26.084 2.882 518 HZ1 LYS 105 HZ1 LYS 105 17.211 24.578 1.452 519 HZ2 LYS 105 HZ2 LYS 105 15.681 23.917 1.773 520 HZ3 LYS 105 HZ3 LYS 105 17.058 23.302 2.557 521 H VAL 106 HN VAL 106 20.340 21.106 7.786 522 HA VAL 106 HA VAL 106 17.702 20.870 8.863 523 HB VAL 106 HB VAL 106 20.384 19.828 9.795 524 HG11 VAL 106 HG11 VAL 106 19.149 19.841 11.784 525 HG12 VAL 106 HG12 VAL 106 18.757 18.256 11.119 526 HG13 VAL 106 HG13 VAL 106 17.617 19.590 10.948 527 HG21 VAL 106 HG21 VAL 106 19.949 18.018 8.489 528 HG22 VAL 106 HG22 VAL 106 18.807 19.076 7.663 529 HG23 VAL 106 HG23 VAL 106 18.244 17.997 8.937 530 H ASN 107 HN ASN 107 20.688 22.445 9.887 531 HA ASN 107 HA ASN 107 19.633 23.304 12.417 532 HB2 ASN 107 HB2 ASN 107 21.734 24.471 12.676 533 HB3 ASN 107 HB1 ASN 107 22.047 22.868 12.017 534 HD21 ASN 107 HD21 ASN 107 24.135 24.184 11.354 535 HD22 ASN 107 HD22 ASN 107 24.076 24.937 9.833 536 H ASP 108 HN ASP 108 20.317 25.818 12.785 537 HA ASP 108 HA ASP 108 18.423 27.300 11.086 538 HB2 ASP 108 HB2 ASP 108 18.224 27.212 13.647 539 HB3 ASP 108 HB1 ASP 108 19.626 28.280 13.670 Start of MODEL 16 1 HA THR 40 HA THR 40 -41.877 -19.664 -10.036 2 HB THR 40 HB THR 40 -39.908 -21.486 -10.981 3 HG1 THR 40 HG1 THR 40 -40.926 -22.383 -8.531 4 HG21 THR 40 HG21 THR 40 -38.807 -20.888 -8.858 5 HG22 THR 40 HG22 THR 40 -40.328 -20.231 -8.253 6 HG23 THR 40 HG23 THR 40 -39.520 -19.467 -9.622 7 H LYS 41 HN LYS 41 -42.696 -22.310 -12.198 8 HA LYS 41 HA LYS 41 -41.582 -21.135 -14.560 9 HB2 LYS 41 HB2 LYS 41 -42.883 -22.843 -15.755 10 HB3 LYS 41 HB1 LYS 41 -42.011 -23.544 -14.395 11 HG2 LYS 41 HG2 LYS 41 -44.068 -23.411 -13.015 12 HG3 LYS 41 HG1 LYS 41 -44.938 -22.738 -14.392 13 HD2 LYS 41 HD2 LYS 41 -45.483 -25.012 -14.522 14 HD3 LYS 41 HD1 LYS 41 -44.133 -24.879 -15.646 15 HE2 LYS 41 HE2 LYS 41 -42.586 -25.717 -13.952 16 HE3 LYS 41 HE1 LYS 41 -43.868 -25.724 -12.744 17 HZ1 LYS 41 HZ1 LYS 41 -43.880 -27.886 -13.445 18 HZ2 LYS 41 HZ2 LYS 41 -43.466 -27.499 -15.047 19 HZ3 LYS 41 HZ3 LYS 41 -45.045 -27.223 -14.483 20 H GLN 42 HN GLN 42 -44.574 -20.846 -12.818 21 HA GLN 42 HA GLN 42 -46.115 -19.655 -14.911 22 HB2 GLN 42 HB2 GLN 42 -46.426 -19.573 -11.898 23 HB3 GLN 42 HB1 GLN 42 -47.621 -18.964 -13.040 24 HG2 GLN 42 HG2 GLN 42 -46.621 -21.826 -12.918 25 HG3 GLN 42 HG1 GLN 42 -48.164 -21.261 -12.281 26 HE21 GLN 42 HE21 GLN 42 -47.129 -23.000 -14.780 27 HE22 GLN 42 HE22 GLN 42 -48.155 -22.449 -16.016 28 H LYS 43 HN LYS 43 -43.766 -18.503 -12.647 29 HA LYS 43 HA LYS 43 -42.832 -16.444 -12.275 30 HB2 LYS 43 HB2 LYS 43 -44.023 -15.849 -14.996 31 HB3 LYS 43 HB1 LYS 43 -42.835 -14.849 -14.164 32 HG2 LYS 43 HG2 LYS 43 -41.248 -16.738 -14.148 33 HG3 LYS 43 HG1 LYS 43 -42.434 -17.742 -14.981 34 HD2 LYS 43 HD2 LYS 43 -42.439 -16.138 -16.874 35 HD3 LYS 43 HD1 LYS 43 -41.205 -15.183 -16.051 36 HE2 LYS 43 HE2 LYS 43 -40.898 -18.088 -16.866 37 HE3 LYS 43 HE1 LYS 43 -40.216 -16.715 -17.738 38 HZ1 LYS 43 HZ1 LYS 43 -38.512 -16.700 -16.350 39 HZ2 LYS 43 HZ2 LYS 43 -39.137 -18.063 -15.554 40 HZ3 LYS 43 HZ3 LYS 43 -39.545 -16.503 -15.020 41 H GLU 44 HN GLU 44 -45.446 -16.981 -11.228 42 HA GLU 44 HA GLU 44 -47.127 -14.685 -11.573 43 HB2 GLU 44 HB2 GLU 44 -47.984 -16.914 -10.880 44 HB3 GLU 44 HB1 GLU 44 -47.119 -16.742 -9.351 45 HG2 GLU 44 HG2 GLU 44 -48.406 -14.730 -8.816 46 HG3 GLU 44 HG1 GLU 44 -49.231 -14.820 -10.372 47 H ALA 45 HN ALA 45 -47.513 -13.007 -10.052 48 HA ALA 45 HA ALA 45 -45.131 -12.271 -8.526 49 HB1 ALA 45 HB1 ALA 45 -46.081 -10.071 -8.427 50 HB2 ALA 45 HB2 ALA 45 -47.660 -10.667 -8.940 51 HB3 ALA 45 HB3 ALA 45 -46.310 -10.660 -10.075 52 H VAL 46 HN VAL 46 -46.967 -14.434 -7.656 53 HA VAL 46 HA VAL 46 -48.533 -13.497 -5.457 54 HB VAL 46 HB VAL 46 -48.851 -15.696 -6.640 55 HG11 VAL 46 HG11 VAL 46 -47.312 -17.394 -6.492 56 HG12 VAL 46 HG12 VAL 46 -46.770 -16.902 -4.887 57 HG13 VAL 46 HG13 VAL 46 -46.195 -16.040 -6.314 58 HG21 VAL 46 HG21 VAL 46 -48.395 -15.820 -3.641 59 HG22 VAL 46 HG22 VAL 46 -49.410 -16.920 -4.575 60 HG23 VAL 46 HG23 VAL 46 -49.856 -15.220 -4.426 61 H ASN 47 HN ASN 47 -45.186 -14.327 -5.893 62 HA ASN 47 HA ASN 47 -44.617 -14.623 -3.079 63 HB2 ASN 47 HB2 ASN 47 -42.303 -14.828 -3.771 64 HB3 ASN 47 HB1 ASN 47 -43.316 -15.797 -4.840 65 HD21 ASN 47 HD21 ASN 47 -41.215 -15.415 -6.242 66 HD22 ASN 47 HD22 ASN 47 -41.239 -14.046 -7.244 67 H ASP 48 HN ASP 48 -42.548 -13.269 -2.367 68 HA ASP 48 HA ASP 48 -43.442 -10.657 -1.857 69 HB2 ASP 48 HB2 ASP 48 -41.809 -11.899 -0.453 70 HB3 ASP 48 HB1 ASP 48 -40.601 -11.687 -1.718 71 H LYS 49 HN LYS 49 -43.123 -8.733 -2.817 72 HA LYS 49 HA LYS 49 -42.270 -8.667 -5.543 73 HB2 LYS 49 HB2 LYS 49 -43.016 -6.477 -3.597 74 HB3 LYS 49 HB1 LYS 49 -42.640 -6.192 -5.298 75 HG2 LYS 49 HG2 LYS 49 -44.451 -7.735 -5.961 76 HG3 LYS 49 HG1 LYS 49 -44.832 -8.015 -4.262 77 HD2 LYS 49 HD2 LYS 49 -45.345 -5.622 -3.973 78 HD3 LYS 49 HD1 LYS 49 -44.959 -5.333 -5.669 79 HE2 LYS 49 HE2 LYS 49 -46.763 -6.870 -6.347 80 HE3 LYS 49 HE1 LYS 49 -47.148 -7.169 -4.652 81 HZ1 LYS 49 HZ1 LYS 49 -48.080 -5.112 -6.270 82 HZ2 LYS 49 HZ2 LYS 49 -47.056 -4.394 -5.120 83 HZ3 LYS 49 HZ3 LYS 49 -48.373 -5.343 -4.616 84 H GLY 50 HN GLY 50 -40.596 -8.534 -2.614 85 HA2 GLY 50 HA2 GLY 50 -38.197 -8.582 -2.578 86 HA3 GLY 50 HA1 GLY 50 -38.189 -7.568 -4.015 87 H LYS 51 HN LYS 51 -40.344 -6.799 -1.405 88 HA LYS 51 HA LYS 51 -39.146 -4.207 -1.060 89 HB2 LYS 51 HB2 LYS 51 -41.383 -5.622 0.403 90 HB3 LYS 51 HB1 LYS 51 -40.888 -3.961 0.733 91 HG2 LYS 51 HG2 LYS 51 -41.343 -3.357 -1.616 92 HG3 LYS 51 HG1 LYS 51 -41.846 -5.016 -1.943 93 HD2 LYS 51 HD2 LYS 51 -43.647 -4.805 -0.273 94 HD3 LYS 51 HD1 LYS 51 -43.143 -3.148 0.063 95 HE2 LYS 51 HE2 LYS 51 -43.606 -2.527 -2.276 96 HE3 LYS 51 HE1 LYS 51 -44.098 -4.184 -2.621 97 HZ1 LYS 51 HZ1 LYS 51 -45.501 -2.096 -1.169 98 HZ2 LYS 51 HZ2 LYS 51 -45.620 -3.660 -0.515 99 HZ3 LYS 51 HZ3 LYS 51 -46.117 -3.364 -2.112 100 H ALA 52 HN ALA 52 -38.349 -7.217 0.102 101 HA ALA 52 HA ALA 52 -37.782 -6.797 2.818 102 HB1 ALA 52 HB1 ALA 52 -37.429 -8.862 0.973 103 HB2 ALA 52 HB2 ALA 52 -37.035 -8.909 2.692 104 HB3 ALA 52 HB3 ALA 52 -35.797 -8.467 1.514 105 H ALA 53 HN ALA 53 -35.879 -6.085 -0.085 106 HA ALA 53 HA ALA 53 -33.442 -5.453 1.136 107 HB1 ALA 53 HB1 ALA 53 -33.500 -5.620 -1.242 108 HB2 ALA 53 HB2 ALA 53 -33.127 -3.933 -0.880 109 HB3 ALA 53 HB3 ALA 53 -34.761 -4.391 -1.365 110 H VAL 54 HN VAL 54 -32.591 -3.613 2.026 111 HA VAL 54 HA VAL 54 -34.530 -1.491 2.721 112 HB VAL 54 HB VAL 54 -33.048 -1.071 4.677 113 HG11 VAL 54 HG11 VAL 54 -33.669 -3.158 5.889 114 HG12 VAL 54 HG12 VAL 54 -34.073 -3.909 4.346 115 HG13 VAL 54 HG13 VAL 54 -35.003 -2.527 4.924 116 HG21 VAL 54 HG21 VAL 54 -31.671 -3.611 3.746 117 HG22 VAL 54 HG22 VAL 54 -31.306 -2.707 5.215 118 HG23 VAL 54 HG23 VAL 54 -30.974 -1.996 3.637 119 H VAL 55 HN VAL 55 -33.650 0.684 2.968 120 HA VAL 55 HA VAL 55 -32.165 1.500 0.694 121 HB VAL 55 HB VAL 55 -32.228 3.737 1.737 122 HG11 VAL 55 HG11 VAL 55 -34.200 3.184 0.543 123 HG12 VAL 55 HG12 VAL 55 -34.783 3.755 2.106 124 HG13 VAL 55 HG13 VAL 55 -34.715 2.025 1.768 125 HG21 VAL 55 HG21 VAL 55 -33.267 2.152 4.103 126 HG22 VAL 55 HG22 VAL 55 -33.450 3.899 3.954 127 HG23 VAL 55 HG23 VAL 55 -31.839 3.187 4.054 128 H LYS 56 HN LYS 56 -31.233 0.487 3.856 129 HA LYS 56 HA LYS 56 -28.760 1.828 4.102 130 HB2 LYS 56 HB2 LYS 56 -29.743 -0.799 5.227 131 HB3 LYS 56 HB1 LYS 56 -28.179 -0.092 5.634 132 HG2 LYS 56 HG2 LYS 56 -29.223 1.883 6.542 133 HG3 LYS 56 HG1 LYS 56 -30.801 1.393 5.936 134 HD2 LYS 56 HD2 LYS 56 -30.776 0.875 8.278 135 HD3 LYS 56 HD1 LYS 56 -30.622 -0.655 7.422 136 HE2 LYS 56 HE2 LYS 56 -28.242 -0.727 7.832 137 HE3 LYS 56 HE1 LYS 56 -28.253 0.916 8.475 138 HZ1 LYS 56 HZ1 LYS 56 -30.132 -0.750 9.814 139 HZ2 LYS 56 HZ2 LYS 56 -28.854 0.164 10.458 140 HZ3 LYS 56 HZ3 LYS 56 -28.574 -1.414 9.891 141 H VAL 57 HN VAL 57 -29.733 -1.039 2.349 142 HA VAL 57 HA VAL 57 -27.343 -2.322 1.870 143 HB VAL 57 HB VAL 57 -29.613 -3.027 1.051 144 HG11 VAL 57 HG11 VAL 57 -30.655 -1.984 -0.728 145 HG12 VAL 57 HG12 VAL 57 -29.134 -1.426 -1.426 146 HG13 VAL 57 HG13 VAL 57 -29.825 -0.592 -0.034 147 HG21 VAL 57 HG21 VAL 57 -27.472 -4.060 0.262 148 HG22 VAL 57 HG22 VAL 57 -27.458 -2.917 -1.081 149 HG23 VAL 57 HG23 VAL 57 -28.747 -4.112 -0.955 150 H VAL 58 HN VAL 58 -28.320 0.812 0.815 151 HA VAL 58 HA VAL 58 -26.738 1.126 -1.490 152 HB VAL 58 HB VAL 58 -26.917 3.538 -1.066 153 HG11 VAL 58 HG11 VAL 58 -28.870 2.720 -2.066 154 HG12 VAL 58 HG12 VAL 58 -29.496 3.525 -0.627 155 HG13 VAL 58 HG13 VAL 58 -29.316 1.771 -0.649 156 HG21 VAL 58 HG21 VAL 58 -27.508 2.533 1.678 157 HG22 VAL 58 HG22 VAL 58 -28.409 3.949 1.137 158 HG23 VAL 58 HG23 VAL 58 -26.647 3.986 1.175 159 H GLU 59 HN GLU 59 -25.865 0.851 1.815 160 HA GLU 59 HA GLU 59 -23.491 2.361 1.884 161 HB2 GLU 59 HB2 GLU 59 -24.353 -0.109 3.396 162 HB3 GLU 59 HB1 GLU 59 -22.854 0.756 3.737 163 HG2 GLU 59 HG2 GLU 59 -24.070 2.786 4.255 164 HG3 GLU 59 HG1 GLU 59 -25.588 2.060 3.734 165 H SER 60 HN SER 60 -24.129 -0.971 0.841 166 HA SER 60 HA SER 60 -21.459 -1.798 0.519 167 HB2 SER 60 HB2 SER 60 -23.349 -3.363 0.465 168 HB3 SER 60 HB1 SER 60 -23.925 -2.631 -1.029 169 HG SER 60 HG SER 60 -22.119 -3.365 -2.072 170 H GLN 61 HN GLN 61 -23.698 -0.163 -1.682 171 HA GLN 61 HA GLN 61 -22.041 -0.194 -3.972 172 HB2 GLN 61 HB2 GLN 61 -24.243 1.704 -3.120 173 HB3 GLN 61 HB1 GLN 61 -23.482 1.736 -4.709 174 HG2 GLN 61 HG2 GLN 61 -24.900 -0.666 -3.518 175 HG3 GLN 61 HG1 GLN 61 -25.604 0.432 -4.700 176 HE21 GLN 61 HE21 GLN 61 -23.954 0.734 -6.720 177 HE22 GLN 61 HE22 GLN 61 -23.340 -0.727 -7.329 178 H ALA 62 HN ALA 62 -22.118 1.822 -1.132 179 HA ALA 62 HA ALA 62 -20.698 4.058 -2.086 180 HB1 ALA 62 HB1 ALA 62 -21.817 3.349 0.308 181 HB2 ALA 62 HB2 ALA 62 -20.779 4.754 0.065 182 HB3 ALA 62 HB3 ALA 62 -20.096 3.246 0.676 183 H GLU 63 HN GLU 63 -19.608 0.951 -0.794 184 HA GLU 63 HA GLU 63 -16.858 1.548 -0.611 185 HB2 GLU 63 HB2 GLU 63 -18.303 -1.069 -1.085 186 HB3 GLU 63 HB1 GLU 63 -16.570 -0.947 -0.775 187 HG2 GLU 63 HG2 GLU 63 -18.680 0.185 1.078 188 HG3 GLU 63 HG1 GLU 63 -17.965 -1.413 1.281 189 H LEU 64 HN LEU 64 -18.848 0.354 -3.280 190 HA LEU 64 HA LEU 64 -16.783 -0.246 -5.088 191 HB2 LEU 64 HB2 LEU 64 -19.130 -0.935 -5.416 192 HB3 LEU 64 HB1 LEU 64 -19.591 0.747 -5.651 193 HG LEU 64 HG LEU 64 -18.109 0.879 -7.629 194 HD11 LEU 64 HD11 LEU 64 -16.372 -0.626 -7.419 195 HD12 LEU 64 HD12 LEU 64 -17.454 -1.595 -8.419 196 HD13 LEU 64 HD13 LEU 64 -17.392 -1.859 -6.676 197 HD21 LEU 64 HD21 LEU 64 -19.970 0.259 -8.732 198 HD22 LEU 64 HD22 LEU 64 -20.494 -0.704 -7.351 199 HD23 LEU 64 HD23 LEU 64 -19.464 -1.424 -8.589 200 H TYR 65 HN TYR 65 -18.534 2.751 -4.417 201 HA TYR 65 HA TYR 65 -17.501 4.333 -6.488 202 HB2 TYR 65 HB2 TYR 65 -19.375 5.075 -5.128 203 HB3 TYR 65 HB1 TYR 65 -18.351 5.119 -3.692 204 HD1 TYR 65 HD1 TYR 65 -18.775 6.592 -7.093 205 HD2 TYR 65 HD2 TYR 65 -17.023 7.013 -3.195 206 HE1 TYR 65 HE1 TYR 65 -18.076 8.902 -7.659 207 HE2 TYR 65 HE2 TYR 65 -16.322 9.324 -3.759 208 HH TYR 65 HH TYR 65 -16.030 10.494 -6.676 209 H SER 66 HN SER 66 -16.302 3.833 -3.172 210 HA SER 66 HA SER 66 -14.094 5.572 -3.333 211 HB2 SER 66 HB2 SER 66 -14.507 3.066 -1.692 212 HB3 SER 66 HB1 SER 66 -13.170 4.190 -1.463 213 HG SER 66 HG SER 66 -15.941 4.589 -1.090 214 H LEU 67 HN LEU 67 -14.483 2.165 -4.173 215 HA LEU 67 HA LEU 67 -11.785 1.568 -4.705 216 HB2 LEU 67 HB2 LEU 67 -13.541 -0.150 -4.497 217 HB3 LEU 67 HB1 LEU 67 -14.291 0.433 -5.979 218 HG LEU 67 HG LEU 67 -12.232 -0.125 -7.239 219 HD11 LEU 67 HD11 LEU 67 -10.701 -1.760 -5.777 220 HD12 LEU 67 HD12 LEU 67 -11.274 -0.721 -4.473 221 HD13 LEU 67 HD13 LEU 67 -10.400 -0.024 -5.837 222 HD21 LEU 67 HD21 LEU 67 -13.662 -2.206 -5.613 223 HD22 LEU 67 HD22 LEU 67 -12.344 -2.692 -6.678 224 HD23 LEU 67 HD23 LEU 67 -13.762 -1.884 -7.344 225 H GLU 68 HN GLU 68 -14.376 2.834 -6.759 226 HA GLU 68 HA GLU 68 -12.951 2.882 -9.192 227 HB2 GLU 68 HB2 GLU 68 -15.407 3.160 -9.026 228 HB3 GLU 68 HB1 GLU 68 -15.163 4.736 -8.275 229 HG2 GLU 68 HG2 GLU 68 -14.007 5.544 -10.280 230 HG3 GLU 68 HG1 GLU 68 -14.163 3.956 -11.029 231 H LYS 69 HN LYS 69 -13.218 5.211 -6.551 232 HA LYS 69 HA LYS 69 -11.796 7.307 -7.861 233 HB2 LYS 69 HB2 LYS 69 -13.338 7.430 -5.773 234 HB3 LYS 69 HB1 LYS 69 -11.895 6.964 -4.873 235 HG2 LYS 69 HG2 LYS 69 -11.671 9.268 -4.821 236 HG3 LYS 69 HG1 LYS 69 -10.787 8.908 -6.303 237 HD2 LYS 69 HD2 LYS 69 -12.853 9.345 -7.617 238 HD3 LYS 69 HD1 LYS 69 -13.694 9.756 -6.124 239 HE2 LYS 69 HE2 LYS 69 -12.961 11.825 -7.113 240 HE3 LYS 69 HE1 LYS 69 -11.920 11.518 -5.723 241 HZ1 LYS 69 HZ1 LYS 69 -11.225 10.718 -8.492 242 HZ2 LYS 69 HZ2 LYS 69 -10.211 10.713 -7.128 243 HZ3 LYS 69 HZ3 LYS 69 -10.736 12.186 -7.795 244 H ASN 70 HN ASN 70 -10.861 4.375 -6.384 245 HA ASN 70 HA ASN 70 -8.833 3.418 -5.924 246 HB2 ASN 70 HB2 ASN 70 -7.881 5.524 -7.876 247 HB3 ASN 70 HB1 ASN 70 -6.956 4.114 -7.362 248 HD21 ASN 70 HD21 ASN 70 -8.324 4.976 -10.057 249 HD22 ASN 70 HD22 ASN 70 -9.152 3.568 -10.521 250 H GLU 71 HN GLU 71 -9.665 5.345 -4.029 251 HA GLU 71 HA GLU 71 -7.348 6.988 -3.388 252 HB2 GLU 71 HB2 GLU 71 -9.990 6.502 -2.003 253 HB3 GLU 71 HB1 GLU 71 -8.707 7.483 -1.293 254 HG2 GLU 71 HG2 GLU 71 -8.759 9.018 -3.159 255 HG3 GLU 71 HG1 GLU 71 -9.880 7.980 -4.041 256 H ASP 72 HN ASP 72 -6.279 4.641 -3.531 257 HA ASP 72 HA ASP 72 -6.448 3.102 -1.094 258 HB2 ASP 72 HB2 ASP 72 -5.918 2.218 -3.443 259 HB3 ASP 72 HB1 ASP 72 -4.301 2.875 -3.196 260 H ALA 73 HN ALA 73 -4.422 2.567 0.115 261 HA ALA 73 HA ALA 73 -3.326 4.889 1.279 262 HB1 ALA 73 HB1 ALA 73 -3.222 2.056 1.720 263 HB2 ALA 73 HB2 ALA 73 -2.848 3.360 2.845 264 HB3 ALA 73 HB3 ALA 73 -1.587 2.712 1.797 265 H SER 74 HN SER 74 -1.061 5.533 1.338 266 HA SER 74 HA SER 74 0.106 5.536 -1.319 267 HB2 SER 74 HB2 SER 74 0.061 7.632 -0.085 268 HB3 SER 74 HB1 SER 74 0.923 6.894 1.261 269 HG SER 74 HG SER 74 2.013 6.786 -1.325 270 H LEU 75 HN LEU 75 2.597 5.307 -1.381 271 HA LEU 75 HA LEU 75 3.224 2.654 -0.473 272 HB2 LEU 75 HB2 LEU 75 4.495 4.711 -2.194 273 HB3 LEU 75 HB1 LEU 75 5.582 3.572 -1.400 274 HG LEU 75 HG LEU 75 4.297 1.684 -2.310 275 HD11 LEU 75 HD11 LEU 75 2.092 2.277 -2.601 276 HD12 LEU 75 HD12 LEU 75 2.652 2.562 -4.248 277 HD13 LEU 75 HD13 LEU 75 2.492 3.913 -3.125 278 HD21 LEU 75 HD21 LEU 75 4.680 3.397 -4.721 279 HD22 LEU 75 HD22 LEU 75 5.297 1.780 -4.382 280 HD23 LEU 75 HD23 LEU 75 6.075 3.189 -3.661 281 H ARG 76 HN ARG 76 3.556 5.812 0.818 282 HA ARG 76 HA ARG 76 5.825 5.156 2.516 283 HB2 ARG 76 HB2 ARG 76 4.032 7.588 2.350 284 HB3 ARG 76 HB1 ARG 76 5.400 7.436 3.455 285 HG2 ARG 76 HG2 ARG 76 6.941 7.175 1.593 286 HG3 ARG 76 HG1 ARG 76 5.603 7.154 0.443 287 HD2 ARG 76 HD2 ARG 76 6.612 9.375 0.471 288 HD3 ARG 76 HD1 ARG 76 4.991 9.457 1.156 289 HE ARG 76 HE ARG 76 6.929 9.034 3.205 290 HH11 ARG 76 HH11 ARG 76 7.416 10.798 4.550 291 HH12 ARG 76 HH12 ARG 76 7.015 12.405 4.042 292 HH21 ARG 76 HH21 ARG 76 5.643 11.391 1.024 293 HH22 ARG 76 HH22 ARG 76 6.011 12.739 2.044 294 H LYS 77 HN LYS 77 2.322 5.432 2.737 295 HA LYS 77 HA LYS 77 2.194 5.249 5.585 296 HB2 LYS 77 HB2 LYS 77 0.128 4.772 3.435 297 HB3 LYS 77 HB1 LYS 77 -0.233 4.689 5.160 298 HG2 LYS 77 HG2 LYS 77 0.730 7.037 5.364 299 HG3 LYS 77 HG1 LYS 77 0.767 7.091 3.604 300 HD2 LYS 77 HD2 LYS 77 -1.746 6.502 5.188 301 HD3 LYS 77 HD1 LYS 77 -1.294 8.124 4.667 302 HE2 LYS 77 HE2 LYS 77 -1.207 7.254 2.301 303 HE3 LYS 77 HE1 LYS 77 -1.880 5.738 2.901 304 HZ1 LYS 77 HZ1 LYS 77 -3.887 6.660 3.294 305 HZ2 LYS 77 HZ2 LYS 77 -3.397 7.701 2.043 306 HZ3 LYS 77 HZ3 LYS 77 -3.254 8.189 3.664 307 H LEU 78 HN LEU 78 2.723 2.962 3.085 308 HA LEU 78 HA LEU 78 1.920 0.693 4.764 309 HB2 LEU 78 HB2 LEU 78 3.024 0.880 1.953 310 HB3 LEU 78 HB1 LEU 78 2.724 -0.649 2.776 311 HG LEU 78 HG LEU 78 0.620 1.495 2.350 312 HD11 LEU 78 HD11 LEU 78 -0.166 -0.561 0.779 313 HD12 LEU 78 HD12 LEU 78 1.585 -0.729 0.636 314 HD13 LEU 78 HD13 LEU 78 0.804 0.787 0.184 315 HD21 LEU 78 HD21 LEU 78 0.675 -1.205 3.640 316 HD22 LEU 78 HD22 LEU 78 -0.758 -0.780 2.709 317 HD23 LEU 78 HD23 LEU 78 -0.260 0.228 4.065 318 H GLN 79 HN GLN 79 4.767 2.074 3.192 319 HA GLN 79 HA GLN 79 6.712 0.316 4.022 320 HB2 GLN 79 HB2 GLN 79 7.022 2.284 2.475 321 HB3 GLN 79 HB1 GLN 79 7.080 3.317 3.901 322 HG2 GLN 79 HG2 GLN 79 8.904 0.924 3.657 323 HG3 GLN 79 HG1 GLN 79 9.328 2.465 2.920 324 HE21 GLN 79 HE21 GLN 79 10.635 1.099 5.262 325 HE22 GLN 79 HE22 GLN 79 10.540 2.213 6.538 326 H ALA 80 HN ALA 80 5.236 2.952 5.895 327 HA ALA 80 HA ALA 80 7.046 2.895 8.052 328 HB1 ALA 80 HB1 ALA 80 4.387 3.374 9.003 329 HB2 ALA 80 HB2 ALA 80 4.575 4.165 7.439 330 HB3 ALA 80 HB3 ALA 80 5.689 4.537 8.756 331 H ASP 81 HN ASP 81 4.176 0.986 7.275 332 HA ASP 81 HA ASP 81 4.197 -0.515 9.732 333 HB2 ASP 81 HB2 ASP 81 2.815 -0.932 7.073 334 HB3 ASP 81 HB1 ASP 81 2.627 -2.027 8.442 335 H GLY 82 HN GLY 82 5.769 -0.649 6.684 336 HA2 GLY 82 HA2 GLY 82 7.569 -1.932 5.985 337 HA3 GLY 82 HA1 GLY 82 7.527 -2.760 7.538 338 H ARG 83 HN ARG 83 4.539 -2.656 5.842 339 HA ARG 83 HA ARG 83 4.352 -5.477 5.686 340 HB2 ARG 83 HB2 ARG 83 2.756 -3.293 4.324 341 HB3 ARG 83 HB1 ARG 83 2.356 -5.004 4.207 342 HG2 ARG 83 HG2 ARG 83 2.698 -4.573 6.953 343 HG3 ARG 83 HG1 ARG 83 1.848 -3.139 6.385 344 HD2 ARG 83 HD2 ARG 83 0.174 -4.773 6.942 345 HD3 ARG 83 HD1 ARG 83 0.242 -4.673 5.184 346 HE ARG 83 HE ARG 83 1.983 -6.708 6.234 347 HH11 ARG 83 HH11 ARG 83 1.385 -8.856 5.814 348 HH12 ARG 83 HH12 ARG 83 -0.230 -9.216 5.300 349 HH21 ARG 83 HH21 ARG 83 -1.272 -5.910 5.369 350 HH22 ARG 83 HH22 ARG 83 -1.734 -7.547 5.049 351 H ILE 84 HN ILE 84 5.216 -3.019 3.291 352 HA ILE 84 HA ILE 84 5.267 -4.655 1.024 353 HB ILE 84 HB ILE 84 6.943 -3.011 0.142 354 HG12 ILE 84 HG12 ILE 84 6.567 -1.672 2.836 355 HG13 ILE 84 HG11 ILE 84 7.995 -2.621 2.419 356 HG21 ILE 84 HG21 ILE 84 4.561 -1.796 1.570 357 HG22 ILE 84 HG22 ILE 84 4.478 -2.658 0.033 358 HG23 ILE 84 HG23 ILE 84 5.374 -1.143 0.148 359 HD11 ILE 84 HD11 ILE 84 7.581 0.098 1.865 360 HD12 ILE 84 HD12 ILE 84 7.363 -0.716 0.318 361 HD13 ILE 84 HD13 ILE 84 8.865 -0.921 1.218 362 H THR 85 HN THR 85 7.320 -5.286 -0.159 363 HA THR 85 HA THR 85 8.653 -7.256 1.330 364 HB THR 85 HB THR 85 8.384 -7.358 -1.114 365 HG1 THR 85 HG1 THR 85 10.632 -7.924 -1.524 366 HG21 THR 85 HG21 THR 85 10.665 -5.684 -1.763 367 HG22 THR 85 HG22 THR 85 9.370 -4.749 -1.014 368 HG23 THR 85 HG23 THR 85 9.048 -5.691 -2.468 369 H GLU 86 HN GLU 86 10.653 -7.416 2.180 370 HA GLU 86 HA GLU 86 11.814 -5.110 3.361 371 HB2 GLU 86 HB2 GLU 86 11.919 -7.367 4.368 372 HB3 GLU 86 HB1 GLU 86 12.980 -7.889 3.060 373 HG2 GLU 86 HG2 GLU 86 14.648 -6.214 3.714 374 HG3 GLU 86 HG1 GLU 86 13.581 -5.625 4.986 375 H GLU 87 HN GLU 87 12.629 -7.051 0.554 376 HA GLU 87 HA GLU 87 15.193 -6.048 0.028 377 HB2 GLU 87 HB2 GLU 87 13.065 -7.121 -1.825 378 HB3 GLU 87 HB1 GLU 87 14.696 -6.714 -2.362 379 HG2 GLU 87 HG2 GLU 87 15.666 -8.313 -0.818 380 HG3 GLU 87 HG1 GLU 87 14.088 -8.636 -0.101 381 H GLN 88 HN GLN 88 12.014 -4.778 -0.948 382 HA GLN 88 HA GLN 88 12.981 -2.776 -2.688 383 HB2 GLN 88 HB2 GLN 88 10.600 -3.484 -2.559 384 HB3 GLN 88 HB1 GLN 88 10.474 -2.689 -0.991 385 HG2 GLN 88 HG2 GLN 88 9.625 -1.206 -2.740 386 HG3 GLN 88 HG1 GLN 88 11.107 -0.533 -2.065 387 HE21 GLN 88 HE21 GLN 88 12.387 0.308 -3.707 388 HE22 GLN 88 HE22 GLN 88 12.569 -0.374 -5.250 389 H ALA 89 HN ALA 89 12.401 -2.787 0.808 390 HA ALA 89 HA ALA 89 12.794 -0.045 1.282 391 HB1 ALA 89 HB1 ALA 89 12.057 -2.066 2.853 392 HB2 ALA 89 HB2 ALA 89 12.755 -0.587 3.514 393 HB3 ALA 89 HB3 ALA 89 13.763 -2.018 3.294 394 H LYS 90 HN LYS 90 15.116 -2.733 1.158 395 HA LYS 90 HA LYS 90 17.379 -1.324 2.024 396 HB2 LYS 90 HB2 LYS 90 17.187 -3.593 0.026 397 HB3 LYS 90 HB1 LYS 90 18.674 -3.053 0.799 398 HG2 LYS 90 HG2 LYS 90 16.237 -4.110 2.265 399 HG3 LYS 90 HG1 LYS 90 17.696 -5.039 1.932 400 HD2 LYS 90 HD2 LYS 90 18.931 -3.100 3.165 401 HD3 LYS 90 HD1 LYS 90 17.334 -2.708 3.804 402 HE2 LYS 90 HE2 LYS 90 18.678 -5.411 4.028 403 HE3 LYS 90 HE1 LYS 90 18.542 -4.221 5.321 404 HZ1 LYS 90 HZ1 LYS 90 16.345 -5.670 3.967 405 HZ2 LYS 90 HZ2 LYS 90 16.085 -4.334 4.982 406 HZ3 LYS 90 HZ3 LYS 90 16.786 -5.753 5.602 407 H ALA 91 HN ALA 91 16.045 -1.726 -1.258 408 HA ALA 91 HA ALA 91 18.093 -0.357 -2.623 409 HB1 ALA 91 HB1 ALA 91 15.551 0.129 -3.863 410 HB2 ALA 91 HB2 ALA 91 15.593 -1.528 -3.264 411 HB3 ALA 91 HB3 ALA 91 16.836 -0.963 -4.378 412 H TYR 92 HN TYR 92 15.130 0.758 -1.068 413 HA TYR 92 HA TYR 92 15.183 3.434 -1.919 414 HB2 TYR 92 HB2 TYR 92 13.222 2.468 -0.845 415 HB3 TYR 92 HB1 TYR 92 14.122 2.243 0.654 416 HD1 TYR 92 HD1 TYR 92 12.929 4.839 -1.747 417 HD2 TYR 92 HD2 TYR 92 14.340 4.003 2.222 418 HE1 TYR 92 HE1 TYR 92 12.367 7.154 -1.059 419 HE2 TYR 92 HE2 TYR 92 13.779 6.317 2.911 420 HH TYR 92 HH TYR 92 13.156 8.778 0.749 421 H LYS 93 HN LYS 93 16.541 1.913 1.001 422 HA LYS 93 HA LYS 93 17.597 4.249 2.155 423 HB2 LYS 93 HB2 LYS 93 17.360 2.007 3.279 424 HB3 LYS 93 HB1 LYS 93 18.755 1.458 2.353 425 HG2 LYS 93 HG2 LYS 93 19.776 2.147 4.329 426 HG3 LYS 93 HG1 LYS 93 19.902 3.615 3.366 427 HD2 LYS 93 HD2 LYS 93 17.869 4.509 4.428 428 HD3 LYS 93 HD1 LYS 93 17.695 3.023 5.361 429 HE2 LYS 93 HE2 LYS 93 18.761 4.634 6.794 430 HE3 LYS 93 HE1 LYS 93 19.997 3.472 6.315 431 HZ1 LYS 93 HZ1 LYS 93 21.083 5.392 5.849 432 HZ2 LYS 93 HZ2 LYS 93 19.661 6.265 5.527 433 HZ3 LYS 93 HZ3 LYS 93 20.285 5.195 4.365 434 H GLU 94 HN GLU 94 18.987 1.954 -0.176 435 HA GLU 94 HA GLU 94 21.584 3.066 -0.261 436 HB2 GLU 94 HB2 GLU 94 21.009 0.830 -1.153 437 HB3 GLU 94 HB1 GLU 94 20.071 1.596 -2.434 438 HG2 GLU 94 HG2 GLU 94 22.082 2.724 -3.269 439 HG3 GLU 94 HG1 GLU 94 23.033 2.034 -1.956 440 H TYR 95 HN TYR 95 18.615 3.754 -2.037 441 HA TYR 95 HA TYR 95 19.654 5.477 -3.991 442 HB2 TYR 95 HB2 TYR 95 17.386 4.613 -4.128 443 HB3 TYR 95 HB1 TYR 95 16.940 5.465 -2.652 444 HD1 TYR 95 HD1 TYR 95 18.234 6.025 -6.114 445 HD2 TYR 95 HD2 TYR 95 16.165 7.686 -2.736 446 HE1 TYR 95 HE1 TYR 95 17.683 8.043 -7.445 447 HE2 TYR 95 HE2 TYR 95 15.614 9.705 -4.067 448 HH TYR 95 HH TYR 95 15.626 10.617 -6.111 449 H ASN 96 HN ASN 96 18.387 6.175 -0.745 450 HA ASN 96 HA ASN 96 18.665 8.977 -0.848 451 HB2 ASN 96 HB2 ASN 96 17.419 7.660 0.903 452 HB3 ASN 96 HB1 ASN 96 18.980 7.247 1.610 453 HD21 ASN 96 HD21 ASN 96 18.708 8.491 3.560 454 HD22 ASN 96 HD22 ASN 96 18.625 10.187 3.548 455 H ASP 97 HN ASP 97 20.917 6.429 0.160 456 HA ASP 97 HA ASP 97 22.983 8.088 1.105 457 HB2 ASP 97 HB2 ASP 97 22.873 5.641 1.481 458 HB3 ASP 97 HB1 ASP 97 23.238 5.380 -0.222 459 H LYS 98 HN LYS 98 22.294 6.829 -2.133 460 HA LYS 98 HA LYS 98 24.642 7.800 -3.384 461 HB2 LYS 98 HB2 LYS 98 21.902 7.157 -4.497 462 HB3 LYS 98 HB1 LYS 98 23.302 7.539 -5.496 463 HG2 LYS 98 HG2 LYS 98 23.509 5.374 -3.419 464 HG3 LYS 98 HG1 LYS 98 22.732 5.026 -4.961 465 HD2 LYS 98 HD2 LYS 98 24.784 5.860 -6.132 466 HD3 LYS 98 HD1 LYS 98 25.560 6.051 -4.561 467 HE2 LYS 98 HE2 LYS 98 24.413 3.439 -5.578 468 HE3 LYS 98 HE1 LYS 98 26.117 3.879 -5.682 469 HZ1 LYS 98 HZ1 LYS 98 25.738 2.562 -3.725 470 HZ2 LYS 98 HZ2 LYS 98 24.510 3.613 -3.198 471 HZ3 LYS 98 HZ3 LYS 98 26.122 4.146 -3.256 472 H ASN 99 HN ASN 99 21.740 9.329 -2.356 473 HA ASN 99 HA ASN 99 22.092 11.651 -4.089 474 HB2 ASN 99 HB2 ASN 99 20.095 10.983 -1.921 475 HB3 ASN 99 HB1 ASN 99 20.129 12.538 -2.754 476 HD21 ASN 99 HD21 ASN 99 17.899 10.705 -2.957 477 HD22 ASN 99 HD22 ASN 99 17.815 10.177 -4.567 478 H GLY 100 HN GLY 100 23.501 10.560 -1.302 479 HA2 GLY 100 HA2 GLY 100 23.659 13.090 0.111 480 HA3 GLY 100 HA1 GLY 100 24.493 11.599 0.541 481 H GLY 101 HN GLY 101 24.991 14.675 -0.447 482 HA2 GLY 101 HA2 GLY 101 27.289 14.112 -2.184 483 HA3 GLY 101 HA1 GLY 101 26.593 15.696 -1.864 484 H ALA 102 HN ALA 102 26.774 14.111 1.032 485 HA ALA 102 HA ALA 102 28.803 15.797 2.076 486 HB1 ALA 102 HB1 ALA 102 28.459 13.381 3.633 487 HB2 ALA 102 HB2 ALA 102 26.897 14.020 3.119 488 HB3 ALA 102 HB3 ALA 102 28.008 15.039 4.033 489 H ASN 103 HN ASN 103 28.779 12.418 1.058 490 HA ASN 103 HA ASN 103 30.478 10.925 0.604 491 HB2 ASN 103 HB2 ASN 103 30.996 12.928 -0.964 492 HB3 ASN 103 HB1 ASN 103 32.298 13.281 0.171 493 HD21 ASN 103 HD21 ASN 103 34.048 12.646 -1.220 494 HD22 ASN 103 HD22 ASN 103 34.270 11.042 -1.730 495 H ARG 104 HN ARG 104 33.024 10.617 1.142 496 HA ARG 104 HA ARG 104 33.200 11.037 4.055 497 HB2 ARG 104 HB2 ARG 104 34.074 8.902 2.199 498 HB3 ARG 104 HB1 ARG 104 35.186 9.275 3.511 499 HG2 ARG 104 HG2 ARG 104 33.634 7.531 4.206 500 HG3 ARG 104 HG1 ARG 104 33.345 8.999 5.139 501 HD2 ARG 104 HD2 ARG 104 31.407 9.542 3.868 502 HD3 ARG 104 HD1 ARG 104 31.812 8.370 2.612 503 HE ARG 104 HE ARG 104 31.569 6.930 4.960 504 HH11 ARG 104 HH11 ARG 104 29.610 5.899 5.500 505 HH12 ARG 104 HH12 ARG 104 28.123 6.466 4.814 506 HH21 ARG 104 HH21 ARG 104 29.625 9.003 2.989 507 HH22 ARG 104 HH22 ARG 104 28.131 8.222 3.392 508 H LYS 105 HN LYS 105 35.933 10.315 1.992 509 HA LYS 105 HA LYS 105 36.931 13.021 1.971 510 HB2 LYS 105 HB2 LYS 105 38.906 12.584 3.362 511 HB3 LYS 105 HB1 LYS 105 37.422 12.389 4.295 512 HG2 LYS 105 HG2 LYS 105 37.534 9.939 3.950 513 HG3 LYS 105 HG1 LYS 105 39.036 10.139 3.047 514 HD2 LYS 105 HD2 LYS 105 40.101 11.151 5.030 515 HD3 LYS 105 HD1 LYS 105 38.604 10.943 5.938 516 HE2 LYS 105 HE2 LYS 105 38.739 8.502 5.616 517 HE3 LYS 105 HE1 LYS 105 40.232 8.704 4.698 518 HZ1 LYS 105 HZ1 LYS 105 40.511 10.089 7.102 519 HZ2 LYS 105 HZ2 LYS 105 41.344 8.698 6.593 520 HZ3 LYS 105 HZ3 LYS 105 39.903 8.551 7.481 521 H VAL 106 HN VAL 106 36.410 10.656 0.195 522 HA VAL 106 HA VAL 106 39.042 10.670 -1.132 523 HB VAL 106 HB VAL 106 38.862 8.543 0.093 524 HG11 VAL 106 HG11 VAL 106 36.993 7.234 0.084 525 HG12 VAL 106 HG12 VAL 106 36.655 7.559 -1.616 526 HG13 VAL 106 HG13 VAL 106 36.183 8.729 -0.384 527 HG21 VAL 106 HG21 VAL 106 39.805 8.795 -2.326 528 HG22 VAL 106 HG22 VAL 106 38.349 7.927 -2.813 529 HG23 VAL 106 HG23 VAL 106 39.499 7.170 -1.710 530 H ASN 107 HN ASN 107 38.964 10.839 -3.317 531 HA ASN 107 HA ASN 107 36.612 11.772 -4.563 532 HB2 ASN 107 HB2 ASN 107 39.229 10.761 -5.681 533 HB3 ASN 107 HB1 ASN 107 37.945 11.415 -6.694 534 HD21 ASN 107 HD21 ASN 107 40.540 12.677 -6.436 535 HD22 ASN 107 HD22 ASN 107 40.305 14.179 -5.683 536 H ASP 108 HN ASP 108 38.157 8.596 -4.494 537 HA ASP 108 HA ASP 108 35.658 7.330 -5.230 538 HB2 ASP 108 HB2 ASP 108 36.598 7.873 -7.439 539 HB3 ASP 108 HB1 ASP 108 38.088 7.035 -7.010 Start of MODEL 17 1 HA THR 40 HA THR 40 -31.673 -15.061 21.735 2 HB THR 40 HB THR 40 -31.836 -18.029 21.164 3 HG1 THR 40 HG1 THR 40 -29.628 -17.601 22.373 4 HG21 THR 40 HG21 THR 40 -30.874 -16.601 19.401 5 HG22 THR 40 HG22 THR 40 -29.632 -17.616 20.134 6 HG23 THR 40 HG23 THR 40 -29.749 -15.911 20.572 7 H LYS 41 HN LYS 41 -32.366 -14.232 19.853 8 HA LYS 41 HA LYS 41 -34.563 -15.584 18.418 9 HB2 LYS 41 HB2 LYS 41 -34.404 -12.632 19.084 10 HB3 LYS 41 HB1 LYS 41 -35.579 -13.364 17.989 11 HG2 LYS 41 HG2 LYS 41 -36.533 -14.684 19.763 12 HG3 LYS 41 HG1 LYS 41 -35.236 -14.240 20.868 13 HD2 LYS 41 HD2 LYS 41 -37.130 -12.894 21.462 14 HD3 LYS 41 HD1 LYS 41 -36.000 -11.831 20.628 15 HE2 LYS 41 HE2 LYS 41 -37.284 -11.965 18.579 16 HE3 LYS 41 HE1 LYS 41 -38.326 -13.213 19.262 17 HZ1 LYS 41 HZ1 LYS 41 -39.352 -11.017 19.331 18 HZ2 LYS 41 HZ2 LYS 41 -38.067 -10.432 20.276 19 HZ3 LYS 41 HZ3 LYS 41 -39.104 -11.628 20.894 20 H GLN 42 HN GLN 42 -34.440 -15.490 16.204 21 HA GLN 42 HA GLN 42 -32.248 -13.892 15.033 22 HB2 GLN 42 HB2 GLN 42 -32.890 -16.792 14.454 23 HB3 GLN 42 HB1 GLN 42 -31.769 -15.807 13.513 24 HG2 GLN 42 HG2 GLN 42 -30.412 -15.414 15.537 25 HG3 GLN 42 HG1 GLN 42 -31.526 -16.407 16.474 26 HE21 GLN 42 HE21 GLN 42 -30.242 -18.244 16.922 27 HE22 GLN 42 HE22 GLN 42 -29.510 -19.196 15.722 28 H LYS 43 HN LYS 43 -32.995 -12.585 13.505 29 HA LYS 43 HA LYS 43 -35.664 -12.820 12.479 30 HB2 LYS 43 HB2 LYS 43 -33.397 -11.007 11.609 31 HB3 LYS 43 HB1 LYS 43 -35.094 -10.808 11.188 32 HG2 LYS 43 HG2 LYS 43 -34.078 -10.815 14.044 33 HG3 LYS 43 HG1 LYS 43 -34.295 -9.347 13.098 34 HD2 LYS 43 HD2 LYS 43 -36.713 -10.033 12.765 35 HD3 LYS 43 HD1 LYS 43 -36.439 -11.316 13.941 36 HE2 LYS 43 HE2 LYS 43 -35.753 -9.656 15.620 37 HE3 LYS 43 HE1 LYS 43 -36.028 -8.362 14.453 38 HZ1 LYS 43 HZ1 LYS 43 -38.348 -9.708 14.357 39 HZ2 LYS 43 HZ2 LYS 43 -38.070 -8.338 15.324 40 HZ3 LYS 43 HZ3 LYS 43 -37.930 -9.894 15.991 41 H GLU 44 HN GLU 44 -32.706 -14.200 11.592 42 HA GLU 44 HA GLU 44 -32.015 -15.390 9.747 43 HB2 GLU 44 HB2 GLU 44 -34.993 -15.535 9.205 44 HB3 GLU 44 HB1 GLU 44 -33.759 -16.572 8.492 45 HG2 GLU 44 HG2 GLU 44 -34.280 -16.342 11.469 46 HG3 GLU 44 HG1 GLU 44 -34.920 -17.626 10.444 47 H ALA 45 HN ALA 45 -31.296 -13.073 9.172 48 HA ALA 45 HA ALA 45 -32.702 -11.668 7.123 49 HB1 ALA 45 HB1 ALA 45 -29.761 -11.337 7.420 50 HB2 ALA 45 HB2 ALA 45 -30.768 -10.939 8.811 51 HB3 ALA 45 HB3 ALA 45 -31.024 -10.117 7.272 52 H VAL 46 HN VAL 46 -32.164 -14.530 6.577 53 HA VAL 46 HA VAL 46 -30.391 -14.339 4.232 54 HB VAL 46 HB VAL 46 -30.465 -16.807 4.239 55 HG11 VAL 46 HG11 VAL 46 -29.840 -15.615 6.959 56 HG12 VAL 46 HG12 VAL 46 -28.752 -15.601 5.570 57 HG13 VAL 46 HG13 VAL 46 -29.202 -17.132 6.323 58 HG21 VAL 46 HG21 VAL 46 -32.198 -17.831 5.251 59 HG22 VAL 46 HG22 VAL 46 -32.727 -16.301 5.955 60 HG23 VAL 46 HG23 VAL 46 -31.557 -17.307 6.808 61 H ASN 47 HN ASN 47 -33.442 -13.681 4.849 62 HA ASN 47 HA ASN 47 -34.917 -15.267 2.997 63 HB2 ASN 47 HB2 ASN 47 -35.462 -12.595 4.293 64 HB3 ASN 47 HB1 ASN 47 -36.613 -13.404 3.231 65 HD21 ASN 47 HD21 ASN 47 -37.139 -12.903 6.040 66 HD22 ASN 47 HD22 ASN 47 -37.248 -14.409 6.814 67 H ASP 48 HN ASP 48 -35.889 -14.523 1.013 68 HA ASP 48 HA ASP 48 -33.992 -13.014 -0.613 69 HB2 ASP 48 HB2 ASP 48 -36.451 -14.636 -1.282 70 HB3 ASP 48 HB1 ASP 48 -35.533 -13.734 -2.484 71 H LYS 49 HN LYS 49 -36.482 -12.204 1.338 72 HA LYS 49 HA LYS 49 -38.122 -10.517 -0.207 73 HB2 LYS 49 HB2 LYS 49 -37.344 -10.448 2.713 74 HB3 LYS 49 HB1 LYS 49 -38.530 -9.355 2.000 75 HG2 LYS 49 HG2 LYS 49 -39.965 -11.176 1.373 76 HG3 LYS 49 HG1 LYS 49 -38.720 -12.365 1.746 77 HD2 LYS 49 HD2 LYS 49 -40.232 -12.430 3.588 78 HD3 LYS 49 HD1 LYS 49 -38.837 -11.521 4.161 79 HE2 LYS 49 HE2 LYS 49 -40.937 -10.415 4.818 80 HE3 LYS 49 HE1 LYS 49 -40.031 -9.402 3.702 81 HZ1 LYS 49 HZ1 LYS 49 -41.684 -9.492 2.243 82 HZ2 LYS 49 HZ2 LYS 49 -42.627 -10.274 3.422 83 HZ3 LYS 49 HZ3 LYS 49 -41.735 -11.186 2.300 84 H GLY 50 HN GLY 50 -35.049 -9.950 1.442 85 HA2 GLY 50 HA2 GLY 50 -33.404 -8.392 0.872 86 HA3 GLY 50 HA1 GLY 50 -34.526 -7.661 -0.270 87 H LYS 51 HN LYS 51 -36.152 -8.062 2.593 88 HA LYS 51 HA LYS 51 -36.368 -5.305 3.135 89 HB2 LYS 51 HB2 LYS 51 -38.052 -6.968 3.846 90 HB3 LYS 51 HB1 LYS 51 -36.895 -7.638 4.996 91 HG2 LYS 51 HG2 LYS 51 -36.788 -5.481 6.175 92 HG3 LYS 51 HG1 LYS 51 -37.906 -4.778 5.006 93 HD2 LYS 51 HD2 LYS 51 -39.628 -6.422 5.674 94 HD3 LYS 51 HD1 LYS 51 -38.511 -7.102 6.859 95 HE2 LYS 51 HE2 LYS 51 -39.464 -4.222 6.831 96 HE3 LYS 51 HE1 LYS 51 -40.095 -5.484 7.889 97 HZ1 LYS 51 HZ1 LYS 51 -37.249 -4.644 7.781 98 HZ2 LYS 51 HZ2 LYS 51 -37.940 -5.754 8.868 99 HZ3 LYS 51 HZ3 LYS 51 -38.365 -4.111 8.943 100 H ALA 52 HN ALA 52 -34.393 -7.854 4.591 101 HA ALA 52 HA ALA 52 -33.241 -6.332 6.659 102 HB1 ALA 52 HB1 ALA 52 -32.736 -8.529 6.997 103 HB2 ALA 52 HB2 ALA 52 -31.278 -8.100 6.100 104 HB3 ALA 52 HB3 ALA 52 -32.627 -8.878 5.271 105 H ALA 53 HN ALA 53 -32.324 -6.788 3.276 106 HA ALA 53 HA ALA 53 -29.799 -5.587 3.328 107 HB1 ALA 53 HB1 ALA 53 -30.731 -6.813 1.384 108 HB2 ALA 53 HB2 ALA 53 -30.099 -5.228 0.934 109 HB3 ALA 53 HB3 ALA 53 -31.839 -5.473 1.094 110 H VAL 54 HN VAL 54 -29.070 -3.519 3.150 111 HA VAL 54 HA VAL 54 -31.077 -1.381 3.524 112 HB VAL 54 HB VAL 54 -28.173 -1.491 4.374 113 HG11 VAL 54 HG11 VAL 54 -30.300 0.653 4.596 114 HG12 VAL 54 HG12 VAL 54 -28.721 0.783 3.823 115 HG13 VAL 54 HG13 VAL 54 -28.835 0.646 5.577 116 HG21 VAL 54 HG21 VAL 54 -29.072 -1.588 6.629 117 HG22 VAL 54 HG22 VAL 54 -29.799 -2.889 5.685 118 HG23 VAL 54 HG23 VAL 54 -30.720 -1.423 6.020 119 H VAL 55 HN VAL 55 -31.214 0.204 2.068 120 HA VAL 55 HA VAL 55 -29.967 0.043 -0.442 121 HB VAL 55 HB VAL 55 -31.397 2.320 0.937 122 HG11 VAL 55 HG11 VAL 55 -30.305 3.559 -0.656 123 HG12 VAL 55 HG12 VAL 55 -31.582 2.914 -1.687 124 HG13 VAL 55 HG13 VAL 55 -29.989 2.157 -1.679 125 HG21 VAL 55 HG21 VAL 55 -33.297 1.589 -0.238 126 HG22 VAL 55 HG22 VAL 55 -32.527 0.071 0.222 127 HG23 VAL 55 HG23 VAL 55 -32.339 0.693 -1.417 128 H LYS 56 HN LYS 56 -29.212 2.052 2.388 129 HA LYS 56 HA LYS 56 -27.217 3.627 1.170 130 HB2 LYS 56 HB2 LYS 56 -27.577 2.809 4.062 131 HB3 LYS 56 HB1 LYS 56 -26.440 4.036 3.512 132 HG2 LYS 56 HG2 LYS 56 -29.350 4.223 2.757 133 HG3 LYS 56 HG1 LYS 56 -28.810 4.782 4.338 134 HD2 LYS 56 HD2 LYS 56 -27.115 6.236 3.173 135 HD3 LYS 56 HD1 LYS 56 -27.845 5.775 1.636 136 HE2 LYS 56 HE2 LYS 56 -29.344 7.079 3.923 137 HE3 LYS 56 HE1 LYS 56 -28.736 7.932 2.504 138 HZ1 LYS 56 HZ1 LYS 56 -30.483 5.574 2.213 139 HZ2 LYS 56 HZ2 LYS 56 -30.199 6.834 1.110 140 HZ3 LYS 56 HZ3 LYS 56 -31.146 7.110 2.494 141 H VAL 57 HN VAL 57 -27.188 0.342 2.236 142 HA VAL 57 HA VAL 57 -24.540 -0.118 2.897 143 HB VAL 57 HB VAL 57 -26.507 -1.784 2.761 144 HG11 VAL 57 HG11 VAL 57 -26.962 -2.852 0.751 145 HG12 VAL 57 HG12 VAL 57 -25.372 -2.487 0.080 146 HG13 VAL 57 HG13 VAL 57 -26.601 -1.226 0.172 147 HG21 VAL 57 HG21 VAL 57 -23.692 -2.466 1.875 148 HG22 VAL 57 HG22 VAL 57 -24.886 -3.684 2.323 149 HG23 VAL 57 HG23 VAL 57 -24.334 -2.507 3.516 150 H VAL 58 HN VAL 58 -25.863 0.882 -0.105 151 HA VAL 58 HA VAL 58 -23.967 -0.112 -1.923 152 HB VAL 58 HB VAL 58 -25.642 2.404 -1.958 153 HG11 VAL 58 HG11 VAL 58 -24.009 3.001 -3.491 154 HG12 VAL 58 HG12 VAL 58 -25.077 2.062 -4.534 155 HG13 VAL 58 HG13 VAL 58 -23.613 1.326 -3.880 156 HG21 VAL 58 HG21 VAL 58 -26.609 -0.024 -2.056 157 HG22 VAL 58 HG22 VAL 58 -25.936 -0.048 -3.686 158 HG23 VAL 58 HG23 VAL 58 -27.155 1.152 -3.254 159 H GLU 59 HN GLU 59 -23.990 2.885 -0.004 160 HA GLU 59 HA GLU 59 -21.681 4.039 -1.104 161 HB2 GLU 59 HB2 GLU 59 -22.901 4.264 1.651 162 HB3 GLU 59 HB1 GLU 59 -21.526 5.235 1.124 163 HG2 GLU 59 HG2 GLU 59 -22.820 6.188 -0.691 164 HG3 GLU 59 HG1 GLU 59 -24.174 5.113 -0.343 165 H SER 60 HN SER 60 -22.046 1.748 1.606 166 HA SER 60 HA SER 60 -19.308 1.721 2.346 167 HB2 SER 60 HB2 SER 60 -21.478 -0.364 2.669 168 HB3 SER 60 HB1 SER 60 -19.884 -0.471 3.411 169 HG SER 60 HG SER 60 -21.954 1.394 3.860 170 H GLN 61 HN GLN 61 -21.232 -0.131 0.059 171 HA GLN 61 HA GLN 61 -19.304 -2.048 -0.677 172 HB2 GLN 61 HB2 GLN 61 -21.723 -2.195 -1.225 173 HB3 GLN 61 HB1 GLN 61 -21.519 -0.879 -2.378 174 HG2 GLN 61 HG2 GLN 61 -19.880 -2.225 -3.637 175 HG3 GLN 61 HG1 GLN 61 -20.069 -3.541 -2.479 176 HE21 GLN 61 HE21 GLN 61 -21.302 -5.142 -3.483 177 HE22 GLN 61 HE22 GLN 61 -22.711 -4.855 -4.384 178 H ALA 62 HN ALA 62 -19.938 1.229 -1.809 179 HA ALA 62 HA ALA 62 -18.286 1.202 -4.097 180 HB1 ALA 62 HB1 ALA 62 -18.826 3.397 -4.253 181 HB2 ALA 62 HB2 ALA 62 -18.364 3.729 -2.584 182 HB3 ALA 62 HB3 ALA 62 -19.948 3.039 -2.941 183 H GLU 63 HN GLU 63 -17.612 1.884 -0.691 184 HA GLU 63 HA GLU 63 -14.955 2.780 -0.989 185 HB2 GLU 63 HB2 GLU 63 -16.255 3.038 1.095 186 HB3 GLU 63 HB1 GLU 63 -16.217 1.292 1.333 187 HG2 GLU 63 HG2 GLU 63 -14.477 2.358 2.684 188 HG3 GLU 63 HG1 GLU 63 -13.732 1.379 1.425 189 H LEU 64 HN LEU 64 -16.327 -0.455 -0.537 190 HA LEU 64 HA LEU 64 -13.918 -1.875 -0.284 191 HB2 LEU 64 HB2 LEU 64 -16.134 -2.825 0.246 192 HB3 LEU 64 HB1 LEU 64 -16.564 -2.773 -1.462 193 HG LEU 64 HG LEU 64 -14.705 -4.325 -1.978 194 HD11 LEU 64 HD11 LEU 64 -13.858 -5.486 0.283 195 HD12 LEU 64 HD12 LEU 64 -14.157 -3.869 0.921 196 HD13 LEU 64 HD13 LEU 64 -13.026 -4.095 -0.413 197 HD21 LEU 64 HD21 LEU 64 -16.764 -5.431 -1.627 198 HD22 LEU 64 HD22 LEU 64 -16.746 -5.096 0.104 199 HD23 LEU 64 HD23 LEU 64 -15.641 -6.292 -0.574 200 H TYR 65 HN TYR 65 -15.817 -0.939 -3.113 201 HA TYR 65 HA TYR 65 -14.420 -2.367 -5.072 202 HB2 TYR 65 HB2 TYR 65 -16.538 -1.287 -5.555 203 HB3 TYR 65 HB1 TYR 65 -15.831 0.302 -5.257 204 HD1 TYR 65 HD1 TYR 65 -15.580 -2.710 -7.446 205 HD2 TYR 65 HD2 TYR 65 -14.666 1.459 -6.962 206 HE1 TYR 65 HE1 TYR 65 -14.822 -2.603 -9.804 207 HE2 TYR 65 HE2 TYR 65 -13.906 1.566 -9.320 208 HH TYR 65 HH TYR 65 -14.485 -0.993 -11.553 209 H SER 66 HN SER 66 -13.881 0.955 -3.875 210 HA SER 66 HA SER 66 -11.745 1.585 -5.589 211 HB2 SER 66 HB2 SER 66 -12.378 2.567 -2.802 212 HB3 SER 66 HB1 SER 66 -11.144 3.275 -3.840 213 HG SER 66 HG SER 66 -13.338 4.224 -3.901 214 H LEU 67 HN LEU 67 -11.762 0.063 -2.376 215 HA LEU 67 HA LEU 67 -8.940 -0.054 -2.088 216 HB2 LEU 67 HB2 LEU 67 -11.285 -1.293 -0.752 217 HB3 LEU 67 HB1 LEU 67 -9.740 -2.121 -0.570 218 HG LEU 67 HG LEU 67 -8.697 -0.106 0.295 219 HD11 LEU 67 HD11 LEU 67 -9.585 1.753 -0.738 220 HD12 LEU 67 HD12 LEU 67 -10.508 1.812 0.764 221 HD13 LEU 67 HD13 LEU 67 -11.232 1.125 -0.690 222 HD21 LEU 67 HD21 LEU 67 -9.810 -1.413 1.982 223 HD22 LEU 67 HD22 LEU 67 -11.384 -0.752 1.540 224 HD23 LEU 67 HD23 LEU 67 -10.183 0.277 2.321 225 H GLU 68 HN GLU 68 -11.326 -2.248 -3.481 226 HA GLU 68 HA GLU 68 -9.636 -4.466 -3.890 227 HB2 GLU 68 HB2 GLU 68 -12.096 -4.572 -4.075 228 HB3 GLU 68 HB1 GLU 68 -12.027 -3.564 -5.519 229 HG2 GLU 68 HG2 GLU 68 -12.216 -5.922 -6.151 230 HG3 GLU 68 HG1 GLU 68 -10.645 -5.301 -6.644 231 H LYS 69 HN LYS 69 -10.347 -1.628 -5.882 232 HA LYS 69 HA LYS 69 -8.505 -2.520 -7.971 233 HB2 LYS 69 HB2 LYS 69 -10.076 0.060 -7.732 234 HB3 LYS 69 HB1 LYS 69 -9.229 -0.513 -9.164 235 HG2 LYS 69 HG2 LYS 69 -11.503 -2.024 -7.845 236 HG3 LYS 69 HG1 LYS 69 -11.720 -0.921 -9.200 237 HD2 LYS 69 HD2 LYS 69 -10.065 -2.327 -10.496 238 HD3 LYS 69 HD1 LYS 69 -10.119 -3.494 -9.177 239 HE2 LYS 69 HE2 LYS 69 -12.552 -3.725 -9.459 240 HE3 LYS 69 HE1 LYS 69 -12.506 -2.567 -10.788 241 HZ1 LYS 69 HZ1 LYS 69 -12.337 -5.161 -11.175 242 HZ2 LYS 69 HZ2 LYS 69 -10.686 -4.841 -10.935 243 HZ3 LYS 69 HZ3 LYS 69 -11.536 -4.048 -12.175 244 H ASN 70 HN ASN 70 -8.381 -0.825 -5.069 245 HA ASN 70 HA ASN 70 -6.837 0.557 -4.089 246 HB2 ASN 70 HB2 ASN 70 -5.538 -1.583 -4.764 247 HB3 ASN 70 HB1 ASN 70 -4.826 -0.568 -6.017 248 HD21 ASN 70 HD21 ASN 70 -2.703 -0.437 -5.068 249 HD22 ASN 70 HD22 ASN 70 -2.416 0.352 -3.593 250 H GLU 71 HN GLU 71 -8.137 1.380 -6.760 251 HA GLU 71 HA GLU 71 -7.876 2.985 -8.409 252 HB2 GLU 71 HB2 GLU 71 -6.947 4.445 -5.925 253 HB3 GLU 71 HB1 GLU 71 -7.546 5.202 -7.403 254 HG2 GLU 71 HG2 GLU 71 -9.144 3.223 -5.755 255 HG3 GLU 71 HG1 GLU 71 -9.291 4.975 -5.599 256 H ASP 72 HN ASP 72 -5.566 4.933 -7.043 257 HA ASP 72 HA ASP 72 -3.272 3.604 -8.256 258 HB2 ASP 72 HB2 ASP 72 -4.353 4.790 -10.115 259 HB3 ASP 72 HB1 ASP 72 -4.253 6.297 -9.207 260 H ALA 73 HN ALA 73 -2.342 3.591 -6.224 261 HA ALA 73 HA ALA 73 -2.042 6.066 -4.727 262 HB1 ALA 73 HB1 ALA 73 -0.892 3.319 -4.185 263 HB2 ALA 73 HB2 ALA 73 -2.438 3.908 -3.572 264 HB3 ALA 73 HB3 ALA 73 -0.938 4.676 -3.059 265 H SER 74 HN SER 74 -0.072 7.064 -4.244 266 HA SER 74 HA SER 74 1.903 6.934 -6.355 267 HB2 SER 74 HB2 SER 74 1.307 9.113 -5.460 268 HB3 SER 74 HB1 SER 74 1.749 8.600 -3.836 269 HG SER 74 HG SER 74 3.889 8.280 -4.643 270 H LEU 75 HN LEU 75 4.258 6.816 -5.778 271 HA LEU 75 HA LEU 75 4.816 4.374 -4.468 272 HB2 LEU 75 HB2 LEU 75 6.513 6.628 -5.489 273 HB3 LEU 75 HB1 LEU 75 7.240 5.320 -4.553 274 HG LEU 75 HG LEU 75 6.329 3.664 -6.115 275 HD11 LEU 75 HD11 LEU 75 5.056 6.122 -7.310 276 HD12 LEU 75 HD12 LEU 75 4.305 4.583 -6.890 277 HD13 LEU 75 HD13 LEU 75 5.356 4.695 -8.302 278 HD21 LEU 75 HD21 LEU 75 8.536 4.826 -6.568 279 HD22 LEU 75 HD22 LEU 75 7.671 5.899 -7.669 280 HD23 LEU 75 HD23 LEU 75 7.750 4.170 -8.005 281 H ARG 76 HN ARG 76 5.092 7.752 -3.390 282 HA ARG 76 HA ARG 76 6.320 7.138 -0.892 283 HB2 ARG 76 HB2 ARG 76 4.759 9.537 -1.867 284 HB3 ARG 76 HB1 ARG 76 5.521 9.455 -0.277 285 HG2 ARG 76 HG2 ARG 76 7.710 9.163 -1.271 286 HG3 ARG 76 HG1 ARG 76 7.007 9.018 -2.882 287 HD2 ARG 76 HD2 ARG 76 6.738 11.480 -1.141 288 HD3 ARG 76 HD1 ARG 76 7.964 11.292 -2.391 289 HE ARG 76 HE ARG 76 5.486 10.775 -3.581 290 HH11 ARG 76 HH11 ARG 76 4.435 12.411 -4.755 291 HH12 ARG 76 HH12 ARG 76 4.822 14.072 -4.453 292 HH21 ARG 76 HH21 ARG 76 7.168 13.355 -2.002 293 HH22 ARG 76 HH22 ARG 76 6.370 14.607 -2.893 294 H LYS 77 HN LYS 77 2.979 7.549 -1.962 295 HA LYS 77 HA LYS 77 1.787 7.427 0.608 296 HB2 LYS 77 HB2 LYS 77 0.704 6.916 -2.163 297 HB3 LYS 77 HB1 LYS 77 -0.298 6.943 -0.707 298 HG2 LYS 77 HG2 LYS 77 0.418 9.224 -0.213 299 HG3 LYS 77 HG1 LYS 77 1.502 9.211 -1.603 300 HD2 LYS 77 HD2 LYS 77 -0.456 8.867 -3.095 301 HD3 LYS 77 HD1 LYS 77 -1.517 8.969 -1.689 302 HE2 LYS 77 HE2 LYS 77 0.413 11.145 -2.533 303 HE3 LYS 77 HE1 LYS 77 -1.307 11.138 -2.904 304 HZ1 LYS 77 HZ1 LYS 77 -1.828 11.174 -0.587 305 HZ2 LYS 77 HZ2 LYS 77 -0.730 12.432 -0.896 306 HZ3 LYS 77 HZ3 LYS 77 -0.197 10.996 -0.157 307 H LEU 78 HN LEU 78 3.125 4.982 -1.415 308 HA LEU 78 HA LEU 78 1.598 2.861 -0.079 309 HB2 LEU 78 HB2 LEU 78 3.677 2.811 -2.281 310 HB3 LEU 78 HB1 LEU 78 2.996 1.355 -1.560 311 HG LEU 78 HG LEU 78 1.341 3.553 -2.837 312 HD11 LEU 78 HD11 LEU 78 2.181 2.700 -4.767 313 HD12 LEU 78 HD12 LEU 78 1.072 1.366 -4.452 314 HD13 LEU 78 HD13 LEU 78 2.766 1.234 -3.977 315 HD21 LEU 78 HD21 LEU 78 0.731 1.044 -1.385 316 HD22 LEU 78 HD22 LEU 78 -0.148 1.262 -2.896 317 HD23 LEU 78 HD23 LEU 78 -0.263 2.479 -1.626 318 H GLN 79 HN GLN 79 5.005 3.629 -0.737 319 HA GLN 79 HA GLN 79 6.150 1.952 1.150 320 HB2 GLN 79 HB2 GLN 79 7.099 4.634 0.103 321 HB3 GLN 79 HB1 GLN 79 8.089 3.587 1.119 322 HG2 GLN 79 HG2 GLN 79 8.015 1.819 -0.523 323 HG3 GLN 79 HG1 GLN 79 6.852 2.716 -1.497 324 HE21 GLN 79 HE21 GLN 79 9.630 1.815 -2.246 325 HE22 GLN 79 HE22 GLN 79 10.448 3.233 -2.691 326 H ALA 80 HN ALA 80 4.838 5.234 1.596 327 HA ALA 80 HA ALA 80 5.870 5.679 4.175 328 HB1 ALA 80 HB1 ALA 80 3.821 7.156 4.434 329 HB2 ALA 80 HB2 ALA 80 3.322 6.610 2.833 330 HB3 ALA 80 HB3 ALA 80 4.825 7.510 3.029 331 H ASP 81 HN ASP 81 3.006 3.981 2.994 332 HA ASP 81 HA ASP 81 2.115 3.317 5.673 333 HB2 ASP 81 HB2 ASP 81 1.182 2.421 2.934 334 HB3 ASP 81 HB1 ASP 81 0.440 1.914 4.449 335 H GLY 82 HN GLY 82 4.055 1.937 3.126 336 HA2 GLY 82 HA2 GLY 82 5.556 0.186 3.217 337 HA3 GLY 82 HA1 GLY 82 5.084 -0.087 4.890 338 H ARG 83 HN ARG 83 2.548 0.053 2.542 339 HA ARG 83 HA ARG 83 1.630 -2.557 3.176 340 HB2 ARG 83 HB2 ARG 83 0.946 -0.687 0.905 341 HB3 ARG 83 HB1 ARG 83 0.142 -2.237 1.152 342 HG2 ARG 83 HG2 ARG 83 -0.582 -1.551 3.379 343 HG3 ARG 83 HG1 ARG 83 0.299 -0.034 3.220 344 HD2 ARG 83 HD2 ARG 83 -2.090 0.300 2.734 345 HD3 ARG 83 HD1 ARG 83 -1.114 0.590 1.296 346 HE ARG 83 HE ARG 83 -2.078 -1.295 0.314 347 HH11 ARG 83 HH11 ARG 83 -3.604 -2.975 0.262 348 HH12 ARG 83 HH12 ARG 83 -4.406 -3.455 1.721 349 HH21 ARG 83 HH21 ARG 83 -2.767 -1.128 3.702 350 HH22 ARG 83 HH22 ARG 83 -3.932 -2.409 3.667 351 H ILE 84 HN ILE 84 3.363 -1.297 0.340 352 HA ILE 84 HA ILE 84 3.388 -3.692 -1.114 353 HB ILE 84 HB ILE 84 5.346 -2.697 -2.303 354 HG12 ILE 84 HG12 ILE 84 4.872 -0.347 -0.428 355 HG13 ILE 84 HG11 ILE 84 6.215 -1.480 -0.252 356 HG21 ILE 84 HG21 ILE 84 3.879 -0.464 -2.753 357 HG22 ILE 84 HG22 ILE 84 2.687 -1.436 -1.893 358 HG23 ILE 84 HG23 ILE 84 3.425 -2.050 -3.370 359 HD11 ILE 84 HD11 ILE 84 5.881 0.730 -2.152 360 HD12 ILE 84 HD12 ILE 84 6.363 -0.769 -2.934 361 HD13 ILE 84 HD13 ILE 84 7.352 -0.096 -1.645 362 H THR 85 HN THR 85 5.715 -4.594 -1.767 363 HA THR 85 HA THR 85 6.463 -6.385 0.165 364 HB THR 85 HB THR 85 7.436 -7.071 -1.745 365 HG1 THR 85 HG1 THR 85 9.342 -6.981 -0.823 366 HG21 THR 85 HG21 THR 85 8.322 -5.384 -3.452 367 HG22 THR 85 HG22 THR 85 7.640 -4.134 -2.411 368 HG23 THR 85 HG23 THR 85 6.588 -5.344 -3.142 369 H GLU 86 HN GLU 86 7.754 -6.471 1.844 370 HA GLU 86 HA GLU 86 8.661 -4.089 3.129 371 HB2 GLU 86 HB2 GLU 86 7.928 -6.110 4.365 372 HB3 GLU 86 HB1 GLU 86 9.327 -6.983 3.744 373 HG2 GLU 86 HG2 GLU 86 9.807 -6.173 5.995 374 HG3 GLU 86 HG1 GLU 86 10.817 -5.307 4.842 375 H GLU 87 HN GLU 87 10.231 -6.674 1.331 376 HA GLU 87 HA GLU 87 12.912 -5.958 1.806 377 HB2 GLU 87 HB2 GLU 87 11.601 -7.408 -0.496 378 HB3 GLU 87 HB1 GLU 87 13.348 -7.220 -0.343 379 HG2 GLU 87 HG2 GLU 87 13.350 -8.384 1.781 380 HG3 GLU 87 HG1 GLU 87 11.589 -8.439 1.800 381 H GLN 88 HN GLN 88 10.637 -4.902 -0.703 382 HA GLN 88 HA GLN 88 12.479 -3.467 -2.285 383 HB2 GLN 88 HB2 GLN 88 10.185 -4.047 -3.013 384 HB3 GLN 88 HB1 GLN 88 9.540 -2.881 -1.858 385 HG2 GLN 88 HG2 GLN 88 10.700 -1.058 -2.984 386 HG3 GLN 88 HG1 GLN 88 11.481 -2.196 -4.082 387 HE21 GLN 88 HE21 GLN 88 10.455 -1.228 -5.977 388 HE22 GLN 88 HE22 GLN 88 8.798 -1.433 -6.280 389 H ALA 89 HN ALA 89 10.553 -2.527 0.528 390 HA ALA 89 HA ALA 89 11.096 0.230 0.489 391 HB1 ALA 89 HB1 ALA 89 10.916 -1.046 3.146 392 HB2 ALA 89 HB2 ALA 89 9.577 -1.393 2.050 393 HB3 ALA 89 HB3 ALA 89 9.972 0.276 2.461 394 H LYS 90 HN LYS 90 12.891 -2.486 1.883 395 HA LYS 90 HA LYS 90 14.783 -1.011 3.343 396 HB2 LYS 90 HB2 LYS 90 14.586 -3.758 2.259 397 HB3 LYS 90 HB1 LYS 90 16.217 -3.183 2.597 398 HG2 LYS 90 HG2 LYS 90 15.298 -4.295 4.578 399 HG3 LYS 90 HG1 LYS 90 15.505 -2.577 4.902 400 HD2 LYS 90 HD2 LYS 90 13.047 -2.290 4.250 401 HD3 LYS 90 HD1 LYS 90 12.934 -4.046 4.289 402 HE2 LYS 90 HE2 LYS 90 13.899 -2.342 6.599 403 HE3 LYS 90 HE1 LYS 90 12.259 -2.971 6.445 404 HZ1 LYS 90 HZ1 LYS 90 13.446 -5.219 6.166 405 HZ2 LYS 90 HZ2 LYS 90 13.303 -4.559 7.724 406 HZ3 LYS 90 HZ3 LYS 90 14.774 -4.443 6.881 407 H ALA 91 HN ALA 91 14.851 -2.147 -0.031 408 HA ALA 91 HA ALA 91 17.447 -1.216 -0.642 409 HB1 ALA 91 HB1 ALA 91 15.510 -2.616 -1.996 410 HB2 ALA 91 HB2 ALA 91 16.996 -1.995 -2.716 411 HB3 ALA 91 HB3 ALA 91 15.499 -1.068 -2.838 412 H TYR 92 HN TYR 92 14.269 0.302 -0.837 413 HA TYR 92 HA TYR 92 15.023 2.692 -2.114 414 HB2 TYR 92 HB2 TYR 92 12.686 2.076 -1.869 415 HB3 TYR 92 HB1 TYR 92 12.814 2.175 -0.113 416 HD1 TYR 92 HD1 TYR 92 13.130 4.184 -3.242 417 HD2 TYR 92 HD2 TYR 92 12.555 4.241 1.014 418 HE1 TYR 92 HE1 TYR 92 12.634 6.611 -3.343 419 HE2 TYR 92 HE2 TYR 92 12.060 6.669 0.914 420 HH TYR 92 HH TYR 92 11.466 8.304 -2.028 421 H LYS 93 HN LYS 93 14.751 1.915 1.350 422 HA LYS 93 HA LYS 93 15.526 4.437 2.325 423 HB2 LYS 93 HB2 LYS 93 14.465 2.598 3.669 424 HB3 LYS 93 HB1 LYS 93 16.008 1.750 3.638 425 HG2 LYS 93 HG2 LYS 93 16.147 2.890 5.670 426 HG3 LYS 93 HG1 LYS 93 16.956 4.020 4.590 427 HD2 LYS 93 HD2 LYS 93 14.887 5.317 4.350 428 HD3 LYS 93 HD1 LYS 93 14.024 4.154 5.356 429 HE2 LYS 93 HE2 LYS 93 14.622 6.004 6.772 430 HE3 LYS 93 HE1 LYS 93 15.690 4.665 7.194 431 HZ1 LYS 93 HZ1 LYS 93 17.267 6.221 6.907 432 HZ2 LYS 93 HZ2 LYS 93 16.302 7.191 5.901 433 HZ3 LYS 93 HZ3 LYS 93 17.097 5.830 5.265 434 H GLU 94 HN GLU 94 17.438 1.554 1.495 435 HA GLU 94 HA GLU 94 19.933 2.546 2.395 436 HB2 GLU 94 HB2 GLU 94 19.197 0.469 0.327 437 HB3 GLU 94 HB1 GLU 94 20.861 0.814 0.800 438 HG2 GLU 94 HG2 GLU 94 20.394 0.214 3.100 439 HG3 GLU 94 HG1 GLU 94 18.674 0.048 2.753 440 H TYR 95 HN TYR 95 18.206 2.767 -0.664 441 HA TYR 95 HA TYR 95 20.256 3.882 -2.241 442 HB2 TYR 95 HB2 TYR 95 18.215 3.014 -3.243 443 HB3 TYR 95 HB1 TYR 95 17.254 4.232 -2.406 444 HD1 TYR 95 HD1 TYR 95 19.997 3.791 -4.897 445 HD2 TYR 95 HD2 TYR 95 16.982 6.405 -3.306 446 HE1 TYR 95 HE1 TYR 95 20.406 5.391 -6.748 447 HE2 TYR 95 HE2 TYR 95 17.392 8.005 -5.154 448 HH TYR 95 HH TYR 95 18.306 8.053 -7.372 449 H ASN 96 HN ASN 96 17.732 5.378 -0.275 450 HA ASN 96 HA ASN 96 18.356 8.073 -0.867 451 HB2 ASN 96 HB2 ASN 96 17.045 6.801 1.541 452 HB3 ASN 96 HB1 ASN 96 17.187 8.545 1.325 453 HD21 ASN 96 HD21 ASN 96 16.461 9.168 -1.138 454 HD22 ASN 96 HD22 ASN 96 14.973 8.492 -1.593 455 H ASP 97 HN ASP 97 19.514 5.870 1.660 456 HA ASP 97 HA ASP 97 21.046 7.756 3.103 457 HB2 ASP 97 HB2 ASP 97 20.431 5.524 3.970 458 HB3 ASP 97 HB1 ASP 97 21.522 4.784 2.800 459 H LYS 98 HN LYS 98 21.932 5.536 0.462 460 HA LYS 98 HA LYS 98 24.675 6.145 0.385 461 HB2 LYS 98 HB2 LYS 98 23.508 4.229 -0.775 462 HB3 LYS 98 HB1 LYS 98 22.937 5.386 -1.973 463 HG2 LYS 98 HG2 LYS 98 24.880 4.663 -3.006 464 HG3 LYS 98 HG1 LYS 98 25.511 6.032 -2.097 465 HD2 LYS 98 HD2 LYS 98 27.028 4.383 -1.491 466 HD3 LYS 98 HD1 LYS 98 25.848 4.226 -0.196 467 HE2 LYS 98 HE2 LYS 98 24.752 2.375 -1.369 468 HE3 LYS 98 HE1 LYS 98 25.852 2.564 -2.735 469 HZ1 LYS 98 HZ1 LYS 98 26.355 1.459 -0.079 470 HZ2 LYS 98 HZ2 LYS 98 27.623 2.306 -0.830 471 HZ3 LYS 98 HZ3 LYS 98 26.933 0.952 -1.590 472 H ASN 99 HN ASN 99 21.925 7.556 -1.360 473 HA ASN 99 HA ASN 99 23.511 9.411 -2.846 474 HB2 ASN 99 HB2 ASN 99 20.551 9.343 -2.230 475 HB3 ASN 99 HB1 ASN 99 21.309 10.490 -3.333 476 HD21 ASN 99 HD21 ASN 99 22.980 9.116 -4.906 477 HD22 ASN 99 HD22 ASN 99 22.226 7.795 -5.661 478 H GLY 100 HN GLY 100 22.306 9.363 0.382 479 HA2 GLY 100 HA2 GLY 100 22.509 10.857 2.106 480 HA3 GLY 100 HA1 GLY 100 23.676 11.718 1.108 481 H GLY 101 HN GLY 101 22.491 13.493 2.376 482 HA2 GLY 101 HA2 GLY 101 20.075 14.367 0.909 483 HA3 GLY 101 HA1 GLY 101 20.495 14.878 2.542 484 H ALA 102 HN ALA 102 23.262 14.675 0.749 485 HA ALA 102 HA ALA 102 23.749 17.478 0.765 486 HB1 ALA 102 HB1 ALA 102 25.504 16.348 -1.101 487 HB2 ALA 102 HB2 ALA 102 25.200 15.066 0.072 488 HB3 ALA 102 HB3 ALA 102 25.820 16.627 0.611 489 H ASN 103 HN ASN 103 22.893 15.190 -1.795 490 HA ASN 103 HA ASN 103 22.051 15.476 -3.908 491 HB2 ASN 103 HB2 ASN 103 21.115 18.117 -2.758 492 HB3 ASN 103 HB1 ASN 103 20.548 17.398 -4.264 493 HD21 ASN 103 HD21 ASN 103 19.242 17.909 -1.453 494 HD22 ASN 103 HD22 ASN 103 18.494 16.424 -1.115 495 H ARG 104 HN ARG 104 24.712 16.758 -2.944 496 HA ARG 104 HA ARG 104 25.090 18.629 -5.195 497 HB2 ARG 104 HB2 ARG 104 25.637 19.506 -2.955 498 HB3 ARG 104 HB1 ARG 104 26.803 18.203 -2.739 499 HG2 ARG 104 HG2 ARG 104 28.134 19.003 -4.586 500 HG3 ARG 104 HG1 ARG 104 26.909 20.203 -5.004 501 HD2 ARG 104 HD2 ARG 104 27.243 21.326 -2.850 502 HD3 ARG 104 HD1 ARG 104 28.425 20.107 -2.380 503 HE ARG 104 HE ARG 104 29.309 21.157 -4.786 504 HH11 ARG 104 HH11 ARG 104 30.839 22.842 -4.831 505 HH12 ARG 104 HH12 ARG 104 31.018 23.875 -3.453 506 HH21 ARG 104 HH21 ARG 104 28.576 22.263 -1.594 507 HH22 ARG 104 HH22 ARG 104 29.738 23.548 -1.620 508 H LYS 105 HN LYS 105 26.200 15.629 -3.787 509 HA LYS 105 HA LYS 105 28.425 15.369 -5.632 510 HB2 LYS 105 HB2 LYS 105 27.259 13.427 -3.625 511 HB3 LYS 105 HB1 LYS 105 28.736 13.173 -4.556 512 HG2 LYS 105 HG2 LYS 105 29.779 15.117 -3.537 513 HG3 LYS 105 HG1 LYS 105 28.280 15.535 -2.712 514 HD2 LYS 105 HD2 LYS 105 29.652 14.444 -1.083 515 HD3 LYS 105 HD1 LYS 105 28.428 13.270 -1.555 516 HE2 LYS 105 HE2 LYS 105 29.980 12.103 -2.978 517 HE3 LYS 105 HE1 LYS 105 31.181 13.386 -2.812 518 HZ1 LYS 105 HZ1 LYS 105 31.974 12.173 -1.143 519 HZ2 LYS 105 HZ2 LYS 105 30.595 11.184 -1.076 520 HZ3 LYS 105 HZ3 LYS 105 30.621 12.669 -0.251 521 H VAL 106 HN VAL 106 28.636 13.662 -7.156 522 HA VAL 106 HA VAL 106 27.952 12.212 -8.799 523 HB VAL 106 HB VAL 106 25.180 12.096 -7.650 524 HG11 VAL 106 HG11 VAL 106 26.149 10.898 -9.788 525 HG12 VAL 106 HG12 VAL 106 25.115 10.006 -8.672 526 HG13 VAL 106 HG13 VAL 106 26.866 9.805 -8.604 527 HG21 VAL 106 HG21 VAL 106 26.167 11.631 -5.631 528 HG22 VAL 106 HG22 VAL 106 27.729 11.268 -6.365 529 HG23 VAL 106 HG23 VAL 106 26.446 10.057 -6.374 530 H ASN 107 HN ASN 107 28.028 14.780 -9.481 531 HA ASN 107 HA ASN 107 25.467 15.501 -10.717 532 HB2 ASN 107 HB2 ASN 107 27.027 17.145 -9.467 533 HB3 ASN 107 HB1 ASN 107 28.017 17.082 -10.925 534 HD21 ASN 107 HD21 ASN 107 27.535 19.222 -11.682 535 HD22 ASN 107 HD22 ASN 107 25.978 19.689 -12.171 536 H ASP 108 HN ASP 108 27.488 13.306 -11.510 537 HA ASP 108 HA ASP 108 27.443 13.944 -14.387 538 HB2 ASP 108 HB2 ASP 108 29.811 12.965 -12.791 539 HB3 ASP 108 HB1 ASP 108 29.704 12.782 -14.542 Start of MODEL 18 1 HA THR 40 HA THR 40 -54.665 -5.682 -1.979 2 HB THR 40 HB THR 40 -56.374 -3.837 -1.630 3 HG1 THR 40 HG1 THR 40 -58.046 -5.570 -2.339 4 HG21 THR 40 HG21 THR 40 -56.404 -3.529 -4.360 5 HG22 THR 40 HG22 THR 40 -55.077 -4.670 -4.135 6 HG23 THR 40 HG23 THR 40 -55.045 -3.109 -3.317 7 H LYS 41 HN LYS 41 -57.365 -7.729 -1.641 8 HA LYS 41 HA LYS 41 -58.234 -7.105 0.973 9 HB2 LYS 41 HB2 LYS 41 -58.243 -9.701 -0.579 10 HB3 LYS 41 HB1 LYS 41 -59.013 -9.509 0.998 11 HG2 LYS 41 HG2 LYS 41 -60.406 -7.683 0.098 12 HG3 LYS 41 HG1 LYS 41 -59.639 -7.871 -1.478 13 HD2 LYS 41 HD2 LYS 41 -60.466 -10.191 -1.610 14 HD3 LYS 41 HD1 LYS 41 -61.234 -10.008 -0.033 15 HE2 LYS 41 HE2 LYS 41 -62.636 -8.185 -0.920 16 HE3 LYS 41 HE1 LYS 41 -61.866 -8.356 -2.496 17 HZ1 LYS 41 HZ1 LYS 41 -63.422 -10.459 -1.092 18 HZ2 LYS 41 HZ2 LYS 41 -62.672 -10.630 -2.606 19 HZ3 LYS 41 HZ3 LYS 41 -63.965 -9.544 -2.413 20 H GLN 42 HN GLN 42 -55.673 -9.227 -0.234 21 HA GLN 42 HA GLN 42 -54.938 -10.242 2.338 22 HB2 GLN 42 HB2 GLN 42 -53.014 -11.186 1.203 23 HB3 GLN 42 HB1 GLN 42 -54.440 -11.409 0.192 24 HG2 GLN 42 HG2 GLN 42 -53.806 -9.335 -1.068 25 HG3 GLN 42 HG1 GLN 42 -52.315 -9.270 -0.130 26 HE21 GLN 42 HE21 GLN 42 -51.342 -9.528 -2.420 27 HE22 GLN 42 HE22 GLN 42 -51.138 -11.113 -2.998 28 H LYS 43 HN LYS 43 -54.432 -7.299 0.731 29 HA LYS 43 HA LYS 43 -52.933 -5.545 1.032 30 HB2 LYS 43 HB2 LYS 43 -54.557 -5.773 3.125 31 HB3 LYS 43 HB1 LYS 43 -53.048 -6.120 3.964 32 HG2 LYS 43 HG2 LYS 43 -53.160 -3.799 4.161 33 HG3 LYS 43 HG1 LYS 43 -52.180 -3.978 2.708 34 HD2 LYS 43 HD2 LYS 43 -54.149 -3.623 1.294 35 HD3 LYS 43 HD1 LYS 43 -55.187 -3.561 2.717 36 HE2 LYS 43 HE2 LYS 43 -53.967 -1.573 3.521 37 HE3 LYS 43 HE1 LYS 43 -52.930 -1.634 2.096 38 HZ1 LYS 43 HZ1 LYS 43 -55.070 -1.517 0.777 39 HZ2 LYS 43 HZ2 LYS 43 -54.598 -0.098 1.585 40 HZ3 LYS 43 HZ3 LYS 43 -55.832 -1.075 2.225 41 H GLU 44 HN GLU 44 -51.282 -5.419 3.565 42 HA GLU 44 HA GLU 44 -49.252 -7.465 2.985 43 HB2 GLU 44 HB2 GLU 44 -48.669 -5.464 1.637 44 HB3 GLU 44 HB1 GLU 44 -48.638 -4.502 3.114 45 HG2 GLU 44 HG2 GLU 44 -46.851 -5.922 4.024 46 HG3 GLU 44 HG1 GLU 44 -46.899 -6.929 2.579 47 H ALA 45 HN ALA 45 -48.422 -8.292 4.803 48 HA ALA 45 HA ALA 45 -49.358 -7.542 7.355 49 HB1 ALA 45 HB1 ALA 45 -46.962 -8.926 7.760 50 HB2 ALA 45 HB2 ALA 45 -47.588 -9.546 6.231 51 HB3 ALA 45 HB3 ALA 45 -48.581 -9.620 7.686 52 H VAL 46 HN VAL 46 -46.340 -6.824 5.647 53 HA VAL 46 HA VAL 46 -45.561 -5.021 7.859 54 HB VAL 46 HB VAL 46 -43.879 -6.248 5.664 55 HG11 VAL 46 HG11 VAL 46 -42.031 -5.337 7.238 56 HG12 VAL 46 HG12 VAL 46 -43.298 -4.297 7.891 57 HG13 VAL 46 HG13 VAL 46 -42.855 -4.185 6.187 58 HG21 VAL 46 HG21 VAL 46 -43.025 -6.943 8.283 59 HG22 VAL 46 HG22 VAL 46 -43.720 -8.009 7.062 60 HG23 VAL 46 HG23 VAL 46 -44.768 -7.205 8.230 61 H ASN 47 HN ASN 47 -45.772 -2.924 7.552 62 HA ASN 47 HA ASN 47 -46.342 -1.855 4.907 63 HB2 ASN 47 HB2 ASN 47 -46.261 -0.619 7.664 64 HB3 ASN 47 HB1 ASN 47 -46.588 0.305 6.200 65 HD21 ASN 47 HD21 ASN 47 -48.534 -0.030 8.327 66 HD22 ASN 47 HD22 ASN 47 -49.831 -0.924 7.694 67 H ASP 48 HN ASP 48 -45.196 0.092 4.134 68 HA ASP 48 HA ASP 48 -42.438 -0.327 3.882 69 HB2 ASP 48 HB2 ASP 48 -44.119 2.150 3.465 70 HB3 ASP 48 HB1 ASP 48 -42.401 2.082 3.076 71 H LYS 49 HN LYS 49 -40.687 0.309 5.031 72 HA LYS 49 HA LYS 49 -41.196 1.572 7.627 73 HB2 LYS 49 HB2 LYS 49 -38.768 0.133 6.538 74 HB3 LYS 49 HB1 LYS 49 -38.899 0.814 8.160 75 HG2 LYS 49 HG2 LYS 49 -40.718 -0.664 8.720 76 HG3 LYS 49 HG1 LYS 49 -40.857 -1.213 7.053 77 HD2 LYS 49 HD2 LYS 49 -39.685 -2.934 8.247 78 HD3 LYS 49 HD1 LYS 49 -38.487 -2.102 7.259 79 HE2 LYS 49 HE2 LYS 49 -37.697 -0.838 9.170 80 HE3 LYS 49 HE1 LYS 49 -39.008 -1.454 10.177 81 HZ1 LYS 49 HZ1 LYS 49 -37.623 -3.604 9.001 82 HZ2 LYS 49 HZ2 LYS 49 -37.795 -3.223 10.648 83 HZ3 LYS 49 HZ3 LYS 49 -36.503 -2.578 9.755 84 H GLY 50 HN GLY 50 -40.279 2.566 4.571 85 HA2 GLY 50 HA2 GLY 50 -39.706 4.783 4.009 86 HA3 GLY 50 HA1 GLY 50 -39.147 5.036 5.662 87 H LYS 51 HN LYS 51 -38.066 2.093 4.543 88 HA LYS 51 HA LYS 51 -35.377 3.180 4.035 89 HB2 LYS 51 HB2 LYS 51 -36.321 0.392 4.752 90 HB3 LYS 51 HB1 LYS 51 -34.642 0.819 4.414 91 HG2 LYS 51 HG2 LYS 51 -34.686 2.461 6.258 92 HG3 LYS 51 HG1 LYS 51 -36.361 2.028 6.602 93 HD2 LYS 51 HD2 LYS 51 -35.670 -0.294 7.068 94 HD3 LYS 51 HD1 LYS 51 -33.994 0.136 6.726 95 HE2 LYS 51 HE2 LYS 51 -34.028 1.768 8.573 96 HE3 LYS 51 HE1 LYS 51 -35.706 1.349 8.915 97 HZ1 LYS 51 HZ1 LYS 51 -35.081 -0.465 10.008 98 HZ2 LYS 51 HZ2 LYS 51 -33.496 0.144 9.967 99 HZ3 LYS 51 HZ3 LYS 51 -34.021 -0.952 8.778 100 H ALA 52 HN ALA 52 -37.671 3.075 2.105 101 HA ALA 52 HA ALA 52 -37.326 1.063 0.186 102 HB1 ALA 52 HB1 ALA 52 -39.234 2.674 0.274 103 HB2 ALA 52 HB2 ALA 52 -38.515 2.527 -1.330 104 HB3 ALA 52 HB3 ALA 52 -38.149 3.929 -0.325 105 H ALA 53 HN ALA 53 -35.397 3.847 0.921 106 HA ALA 53 HA ALA 53 -34.131 4.319 -1.523 107 HB1 ALA 53 HB1 ALA 53 -33.080 4.509 1.307 108 HB2 ALA 53 HB2 ALA 53 -33.733 5.813 0.316 109 HB3 ALA 53 HB3 ALA 53 -32.185 5.079 -0.102 110 H VAL 54 HN VAL 54 -32.452 3.380 -2.602 111 HA VAL 54 HA VAL 54 -31.957 0.610 -2.108 112 HB VAL 54 HB VAL 54 -30.653 2.529 -4.050 113 HG11 VAL 54 HG11 VAL 54 -29.134 0.791 -4.055 114 HG12 VAL 54 HG12 VAL 54 -30.323 0.117 -5.164 115 HG13 VAL 54 HG13 VAL 54 -30.312 -0.380 -3.473 116 HG21 VAL 54 HG21 VAL 54 -32.424 2.148 -5.413 117 HG22 VAL 54 HG22 VAL 54 -33.252 1.557 -3.973 118 HG23 VAL 54 HG23 VAL 54 -32.431 0.423 -5.045 119 H VAL 55 HN VAL 55 -30.232 -0.405 -1.280 120 HA VAL 55 HA VAL 55 -28.720 0.694 0.740 121 HB VAL 55 HB VAL 55 -29.072 -1.746 0.274 122 HG11 VAL 55 HG11 VAL 55 -27.716 -2.875 -1.334 123 HG12 VAL 55 HG12 VAL 55 -26.719 -1.444 -1.602 124 HG13 VAL 55 HG13 VAL 55 -28.386 -1.478 -2.176 125 HG21 VAL 55 HG21 VAL 55 -26.128 -1.102 0.552 126 HG22 VAL 55 HG22 VAL 55 -27.032 -2.415 1.304 127 HG23 VAL 55 HG23 VAL 55 -27.279 -0.755 1.843 128 H LYS 56 HN LYS 56 -28.305 1.329 -2.561 129 HA LYS 56 HA LYS 56 -25.579 1.411 -2.965 130 HB2 LYS 56 HB2 LYS 56 -25.965 3.193 -4.578 131 HB3 LYS 56 HB1 LYS 56 -27.257 2.004 -4.692 132 HG2 LYS 56 HG2 LYS 56 -28.673 3.446 -3.236 133 HG3 LYS 56 HG1 LYS 56 -27.393 4.656 -3.220 134 HD2 LYS 56 HD2 LYS 56 -27.536 4.886 -5.652 135 HD3 LYS 56 HD1 LYS 56 -28.773 3.631 -5.716 136 HE2 LYS 56 HE2 LYS 56 -29.828 5.843 -5.783 137 HE3 LYS 56 HE1 LYS 56 -30.233 5.030 -4.270 138 HZ1 LYS 56 HZ1 LYS 56 -27.822 6.459 -3.972 139 HZ2 LYS 56 HZ2 LYS 56 -29.288 6.662 -3.139 140 HZ3 LYS 56 HZ3 LYS 56 -29.010 7.498 -4.590 141 H VAL 57 HN VAL 57 -27.519 3.475 -0.920 142 HA VAL 57 HA VAL 57 -25.716 5.631 -0.625 143 HB VAL 57 HB VAL 57 -27.776 4.470 1.263 144 HG11 VAL 57 HG11 VAL 57 -26.272 5.620 2.689 145 HG12 VAL 57 HG12 VAL 57 -27.532 6.804 2.333 146 HG13 VAL 57 HG13 VAL 57 -25.982 6.887 1.497 147 HG21 VAL 57 HG21 VAL 57 -27.736 6.923 -0.526 148 HG22 VAL 57 HG22 VAL 57 -29.053 6.478 0.557 149 HG23 VAL 57 HG23 VAL 57 -28.657 5.448 -0.819 150 H VAL 58 HN VAL 58 -26.111 2.615 1.194 151 HA VAL 58 HA VAL 58 -24.031 3.063 3.061 152 HB VAL 58 HB VAL 58 -25.322 0.527 2.044 153 HG11 VAL 58 HG11 VAL 58 -24.271 -0.382 4.236 154 HG12 VAL 58 HG12 VAL 58 -23.173 0.994 4.109 155 HG13 VAL 58 HG13 VAL 58 -23.222 -0.216 2.828 156 HG21 VAL 58 HG21 VAL 58 -25.550 1.723 4.796 157 HG22 VAL 58 HG22 VAL 58 -26.681 0.669 3.948 158 HG23 VAL 58 HG23 VAL 58 -26.532 2.362 3.480 159 H GLU 59 HN GLU 59 -24.124 1.496 -0.105 160 HA GLU 59 HA GLU 59 -21.537 0.408 -0.096 161 HB2 GLU 59 HB2 GLU 59 -23.316 1.339 -2.350 162 HB3 GLU 59 HB1 GLU 59 -21.775 0.522 -2.613 163 HG2 GLU 59 HG2 GLU 59 -22.533 -1.431 -1.394 164 HG3 GLU 59 HG1 GLU 59 -24.020 -0.611 -0.925 165 H SER 60 HN SER 60 -22.677 3.647 -1.067 166 HA SER 60 HA SER 60 -20.250 4.535 -2.189 167 HB2 SER 60 HB2 SER 60 -22.476 6.064 -0.828 168 HB3 SER 60 HB1 SER 60 -21.149 6.822 -1.702 169 HG SER 60 HG SER 60 -22.915 4.877 -2.782 170 H GLN 61 HN GLN 61 -21.483 4.580 1.120 171 HA GLN 61 HA GLN 61 -19.381 6.114 2.247 172 HB2 GLN 61 HB2 GLN 61 -21.311 4.122 3.450 173 HB3 GLN 61 HB1 GLN 61 -20.158 5.054 4.408 174 HG2 GLN 61 HG2 GLN 61 -21.133 7.140 3.680 175 HG3 GLN 61 HG1 GLN 61 -22.165 6.309 2.518 176 HE21 GLN 61 HE21 GLN 61 -22.986 8.015 4.853 177 HE22 GLN 61 HE22 GLN 61 -23.972 7.019 5.811 178 H ALA 62 HN ALA 62 -19.720 2.747 1.429 179 HA ALA 62 HA ALA 62 -17.310 1.983 2.893 180 HB1 ALA 62 HB1 ALA 62 -19.440 0.535 2.591 181 HB2 ALA 62 HB2 ALA 62 -17.866 -0.239 2.400 182 HB3 ALA 62 HB3 ALA 62 -18.805 0.212 0.978 183 H GLU 63 HN GLU 63 -18.077 3.313 -0.099 184 HA GLU 63 HA GLU 63 -16.302 1.997 -1.842 185 HB2 GLU 63 HB2 GLU 63 -18.069 3.542 -2.612 186 HB3 GLU 63 HB1 GLU 63 -17.198 4.890 -1.889 187 HG2 GLU 63 HG2 GLU 63 -16.721 4.777 -4.287 188 HG3 GLU 63 HG1 GLU 63 -15.261 4.420 -3.374 189 H LEU 64 HN LEU 64 -15.834 4.788 0.309 190 HA LEU 64 HA LEU 64 -13.217 5.433 -0.520 191 HB2 LEU 64 HB2 LEU 64 -14.637 5.822 2.121 192 HB3 LEU 64 HB1 LEU 64 -13.040 6.483 1.777 193 HG LEU 64 HG LEU 64 -15.502 7.013 0.085 194 HD11 LEU 64 HD11 LEU 64 -16.096 8.262 1.901 195 HD12 LEU 64 HD12 LEU 64 -14.916 9.394 1.240 196 HD13 LEU 64 HD13 LEU 64 -14.455 8.298 2.542 197 HD21 LEU 64 HD21 LEU 64 -13.811 9.060 -0.407 198 HD22 LEU 64 HD22 LEU 64 -13.794 7.570 -1.349 199 HD23 LEU 64 HD23 LEU 64 -12.629 7.804 -0.048 200 H TYR 65 HN TYR 65 -14.427 3.200 1.951 201 HA TYR 65 HA TYR 65 -11.950 2.493 3.086 202 HB2 TYR 65 HB2 TYR 65 -14.047 1.889 4.156 203 HB3 TYR 65 HB1 TYR 65 -14.491 0.875 2.783 204 HD1 TYR 65 HD1 TYR 65 -11.937 1.301 5.471 205 HD2 TYR 65 HD2 TYR 65 -13.742 -1.365 2.626 206 HE1 TYR 65 HE1 TYR 65 -10.712 -0.605 6.479 207 HE2 TYR 65 HE2 TYR 65 -12.515 -3.270 3.634 208 HH TYR 65 HH TYR 65 -10.505 -2.836 6.529 209 H SER 66 HN SER 66 -13.811 0.982 0.462 210 HA SER 66 HA SER 66 -11.956 -1.072 -0.112 211 HB2 SER 66 HB2 SER 66 -14.054 0.245 -1.845 212 HB3 SER 66 HB1 SER 66 -13.152 -1.197 -2.306 213 HG SER 66 HG SER 66 -15.325 -1.312 -1.108 214 H LEU 67 HN LEU 67 -12.340 2.215 -1.338 215 HA LEU 67 HA LEU 67 -10.512 2.090 -3.458 216 HB2 LEU 67 HB2 LEU 67 -12.088 3.948 -3.143 217 HB3 LEU 67 HB1 LEU 67 -11.230 4.438 -1.685 218 HG LEU 67 HG LEU 67 -9.192 4.863 -3.024 219 HD11 LEU 67 HD11 LEU 67 -9.191 3.482 -4.881 220 HD12 LEU 67 HD12 LEU 67 -9.809 4.960 -5.619 221 HD13 LEU 67 HD13 LEU 67 -10.921 3.673 -5.155 222 HD21 LEU 67 HD21 LEU 67 -11.464 6.242 -4.437 223 HD22 LEU 67 HD22 LEU 67 -9.920 6.913 -3.908 224 HD23 LEU 67 HD23 LEU 67 -11.173 6.540 -2.723 225 H GLU 68 HN GLU 68 -10.009 3.005 -0.045 226 HA GLU 68 HA GLU 68 -7.254 3.602 -0.294 227 HB2 GLU 68 HB2 GLU 68 -8.921 2.716 2.069 228 HB3 GLU 68 HB1 GLU 68 -7.223 3.175 2.201 229 HG2 GLU 68 HG2 GLU 68 -7.696 5.396 1.353 230 HG3 GLU 68 HG1 GLU 68 -9.366 4.953 1.007 231 H LYS 69 HN LYS 69 -9.002 0.632 0.454 232 HA LYS 69 HA LYS 69 -6.701 -0.967 0.995 233 HB2 LYS 69 HB2 LYS 69 -9.086 -1.504 1.659 234 HB3 LYS 69 HB1 LYS 69 -9.378 -1.942 -0.025 235 HG2 LYS 69 HG2 LYS 69 -8.768 -4.014 0.790 236 HG3 LYS 69 HG1 LYS 69 -7.173 -3.403 0.359 237 HD2 LYS 69 HD2 LYS 69 -6.833 -4.141 2.551 238 HD3 LYS 69 HD1 LYS 69 -7.169 -2.426 2.786 239 HE2 LYS 69 HE2 LYS 69 -8.698 -3.214 4.292 240 HE3 LYS 69 HE1 LYS 69 -9.697 -3.415 2.853 241 HZ1 LYS 69 HZ1 LYS 69 -9.773 -5.482 3.857 242 HZ2 LYS 69 HZ2 LYS 69 -8.140 -5.444 4.321 243 HZ3 LYS 69 HZ3 LYS 69 -8.557 -5.688 2.693 244 H ASN 70 HN ASN 70 -8.621 -0.318 -1.898 245 HA ASN 70 HA ASN 70 -8.301 -0.835 -4.113 246 HB2 ASN 70 HB2 ASN 70 -6.268 0.641 -3.444 247 HB3 ASN 70 HB1 ASN 70 -5.350 -0.859 -3.540 248 HD21 ASN 70 HD21 ASN 70 -4.184 -0.251 -5.476 249 HD22 ASN 70 HD22 ASN 70 -4.961 -0.099 -6.979 250 H GLU 71 HN GLU 71 -8.389 -3.019 -2.077 251 HA GLU 71 HA GLU 71 -7.941 -5.278 -1.861 252 HB2 GLU 71 HB2 GLU 71 -8.414 -5.048 -4.841 253 HB3 GLU 71 HB1 GLU 71 -8.568 -6.521 -3.883 254 HG2 GLU 71 HG2 GLU 71 -10.321 -5.445 -2.511 255 HG3 GLU 71 HG1 GLU 71 -10.176 -3.980 -3.480 256 H ASP 72 HN ASP 72 -5.569 -3.490 -2.592 257 HA ASP 72 HA ASP 72 -3.878 -5.417 -4.015 258 HB2 ASP 72 HB2 ASP 72 -3.469 -2.550 -3.179 259 HB3 ASP 72 HB1 ASP 72 -2.176 -3.542 -3.851 260 H ALA 73 HN ALA 73 -2.205 -6.491 -3.137 261 HA ALA 73 HA ALA 73 -2.144 -6.885 -0.308 262 HB1 ALA 73 HB1 ALA 73 -0.092 -8.268 -0.867 263 HB2 ALA 73 HB2 ALA 73 -0.345 -7.813 -2.552 264 HB3 ALA 73 HB3 ALA 73 -1.573 -8.747 -1.698 265 H SER 74 HN SER 74 -0.351 -6.469 1.118 266 HA SER 74 HA SER 74 0.896 -3.895 0.594 267 HB2 SER 74 HB2 SER 74 -0.069 -4.298 2.804 268 HB3 SER 74 HB1 SER 74 0.969 -5.703 3.021 269 HG SER 74 HG SER 74 2.450 -3.596 2.303 270 H LEU 75 HN LEU 75 3.227 -3.596 1.033 271 HA LEU 75 HA LEU 75 4.792 -5.465 -0.468 272 HB2 LEU 75 HB2 LEU 75 5.275 -2.889 0.951 273 HB3 LEU 75 HB1 LEU 75 6.670 -3.923 0.640 274 HG LEU 75 HG LEU 75 6.097 -4.006 -1.750 275 HD11 LEU 75 HD11 LEU 75 4.278 -2.203 -2.395 276 HD12 LEU 75 HD12 LEU 75 3.694 -2.504 -0.759 277 HD13 LEU 75 HD13 LEU 75 3.780 -3.828 -1.923 278 HD21 LEU 75 HD21 LEU 75 6.199 -1.223 -0.547 279 HD22 LEU 75 HD22 LEU 75 6.448 -1.564 -2.259 280 HD23 LEU 75 HD23 LEU 75 7.571 -2.205 -1.061 281 H ARG 76 HN ARG 76 3.877 -5.224 2.833 282 HA ARG 76 HA ARG 76 6.170 -6.685 3.856 283 HB2 ARG 76 HB2 ARG 76 3.577 -5.770 5.116 284 HB3 ARG 76 HB1 ARG 76 4.825 -6.663 5.985 285 HG2 ARG 76 HG2 ARG 76 6.464 -4.898 5.464 286 HG3 ARG 76 HG1 ARG 76 5.227 -4.003 4.582 287 HD2 ARG 76 HD2 ARG 76 3.883 -3.838 6.649 288 HD3 ARG 76 HD1 ARG 76 5.133 -4.713 7.529 289 HE ARG 76 HE ARG 76 5.233 -1.936 6.677 290 HH11 ARG 76 HH11 ARG 76 7.043 -0.778 7.415 291 HH12 ARG 76 HH12 ARG 76 8.391 -1.629 8.095 292 HH21 ARG 76 HH21 ARG 76 6.962 -4.762 7.680 293 HH22 ARG 76 HH22 ARG 76 8.344 -3.884 8.244 294 H LYS 77 HN LYS 77 2.805 -7.273 2.991 295 HA LYS 77 HA LYS 77 2.712 -9.954 3.976 296 HB2 LYS 77 HB2 LYS 77 0.989 -8.450 2.008 297 HB3 LYS 77 HB1 LYS 77 0.660 -10.111 2.499 298 HG2 LYS 77 HG2 LYS 77 0.691 -9.299 4.907 299 HG3 LYS 77 HG1 LYS 77 0.739 -7.657 4.276 300 HD2 LYS 77 HD2 LYS 77 -1.412 -9.650 3.525 301 HD3 LYS 77 HD1 LYS 77 -1.574 -8.525 4.868 302 HE2 LYS 77 HE2 LYS 77 -1.162 -6.641 3.252 303 HE3 LYS 77 HE1 LYS 77 -1.209 -7.820 1.943 304 HZ1 LYS 77 HZ1 LYS 77 -3.357 -6.631 2.503 305 HZ2 LYS 77 HZ2 LYS 77 -3.406 -7.596 3.901 306 HZ3 LYS 77 HZ3 LYS 77 -3.428 -8.320 2.364 307 H LEU 78 HN LEU 78 4.078 -8.490 1.211 308 HA LEU 78 HA LEU 78 4.093 -10.975 -0.346 309 HB2 LEU 78 HB2 LEU 78 4.563 -8.121 -0.887 310 HB3 LEU 78 HB1 LEU 78 5.732 -9.186 -1.666 311 HG LEU 78 HG LEU 78 3.685 -8.724 -3.059 312 HD11 LEU 78 HD11 LEU 78 4.214 -10.691 -4.005 313 HD12 LEU 78 HD12 LEU 78 3.253 -11.534 -2.791 314 HD13 LEU 78 HD13 LEU 78 4.964 -11.220 -2.499 315 HD21 LEU 78 HD21 LEU 78 2.068 -10.633 -1.497 316 HD22 LEU 78 HD22 LEU 78 1.583 -9.137 -2.297 317 HD23 LEU 78 HD23 LEU 78 2.329 -9.082 -0.700 318 H GLN 79 HN GLN 79 6.459 -8.611 0.848 319 HA GLN 79 HA GLN 79 8.789 -10.001 0.446 320 HB2 GLN 79 HB2 GLN 79 8.563 -7.654 1.353 321 HB3 GLN 79 HB1 GLN 79 8.244 -8.370 2.933 322 HG2 GLN 79 HG2 GLN 79 10.708 -9.117 1.348 323 HG3 GLN 79 HG1 GLN 79 10.683 -7.700 2.395 324 HE21 GLN 79 HE21 GLN 79 12.204 -10.292 2.736 325 HE22 GLN 79 HE22 GLN 79 11.730 -10.880 4.256 326 H ALA 80 HN ALA 80 6.321 -10.645 2.833 327 HA ALA 80 HA ALA 80 7.834 -12.182 4.645 328 HB1 ALA 80 HB1 ALA 80 5.398 -13.376 4.720 329 HB2 ALA 80 HB2 ALA 80 4.975 -11.838 3.968 330 HB3 ALA 80 HB3 ALA 80 5.766 -11.861 5.544 331 H ASP 81 HN ASP 81 6.296 -12.930 1.566 332 HA ASP 81 HA ASP 81 6.737 -15.762 1.709 333 HB2 ASP 81 HB2 ASP 81 6.062 -13.888 -0.563 334 HB3 ASP 81 HB1 ASP 81 6.245 -15.628 -0.774 335 H GLY 82 HN GLY 82 8.703 -13.051 1.040 336 HA2 GLY 82 HA2 GLY 82 11.026 -13.056 0.755 337 HA3 GLY 82 HA1 GLY 82 10.958 -14.780 0.410 338 H ARG 83 HN ARG 83 8.609 -13.199 -1.377 339 HA ARG 83 HA ARG 83 9.840 -13.757 -3.858 340 HB2 ARG 83 HB2 ARG 83 7.451 -12.052 -3.153 341 HB3 ARG 83 HB1 ARG 83 7.961 -12.366 -4.812 342 HG2 ARG 83 HG2 ARG 83 7.788 -14.806 -4.386 343 HG3 ARG 83 HG1 ARG 83 7.213 -14.464 -2.753 344 HD2 ARG 83 HD2 ARG 83 5.294 -14.873 -4.191 345 HD3 ARG 83 HD1 ARG 83 5.317 -13.172 -3.737 346 HE ARG 83 HE ARG 83 6.715 -13.570 -6.187 347 HH11 ARG 83 HH11 ARG 83 5.692 -12.901 -8.098 348 HH12 ARG 83 HH12 ARG 83 3.979 -12.641 -8.112 349 HH21 ARG 83 HH21 ARG 83 3.559 -13.482 -4.773 350 HH22 ARG 83 HH22 ARG 83 2.772 -12.970 -6.229 351 H ILE 84 HN ILE 84 9.679 -10.813 -1.917 352 HA ILE 84 HA ILE 84 11.436 -9.491 -3.901 353 HB ILE 84 HB ILE 84 10.564 -7.336 -3.038 354 HG12 ILE 84 HG12 ILE 84 8.479 -9.012 -1.620 355 HG13 ILE 84 HG11 ILE 84 9.867 -8.314 -0.785 356 HG21 ILE 84 HG21 ILE 84 8.018 -8.104 -3.769 357 HG22 ILE 84 HG22 ILE 84 9.016 -9.376 -4.474 358 HG23 ILE 84 HG23 ILE 84 9.315 -7.690 -4.891 359 HD11 ILE 84 HD11 ILE 84 8.956 -6.242 -0.791 360 HD12 ILE 84 HD12 ILE 84 7.441 -7.047 -1.204 361 HD13 ILE 84 HD13 ILE 84 8.461 -6.380 -2.479 362 H THR 85 HN THR 85 13.063 -8.047 -3.014 363 HA THR 85 HA THR 85 14.322 -9.225 -0.703 364 HB THR 85 HB THR 85 16.155 -7.686 -1.173 365 HG1 THR 85 HG1 THR 85 15.723 -5.874 -2.103 366 HG21 THR 85 HG21 THR 85 14.991 -9.503 -3.093 367 HG22 THR 85 HG22 THR 85 16.692 -9.201 -2.739 368 HG23 THR 85 HG23 THR 85 15.848 -8.203 -3.922 369 H GLU 86 HN GLU 86 15.065 -8.014 1.143 370 HA GLU 86 HA GLU 86 13.002 -6.276 2.194 371 HB2 GLU 86 HB2 GLU 86 15.605 -7.265 3.391 372 HB3 GLU 86 HB1 GLU 86 14.393 -6.325 4.257 373 HG2 GLU 86 HG2 GLU 86 13.745 -8.472 4.841 374 HG3 GLU 86 HG1 GLU 86 12.758 -8.223 3.404 375 H GLU 87 HN GLU 87 16.356 -5.992 1.116 376 HA GLU 87 HA GLU 87 16.748 -3.333 2.036 377 HB2 GLU 87 HB2 GLU 87 18.722 -3.329 0.607 378 HB3 GLU 87 HB1 GLU 87 18.603 -4.864 1.467 379 HG2 GLU 87 HG2 GLU 87 17.513 -5.858 -0.552 380 HG3 GLU 87 HG1 GLU 87 17.785 -4.339 -1.405 381 H GLN 88 HN GLN 88 15.543 -4.664 -1.024 382 HA GLN 88 HA GLN 88 15.558 -2.219 -2.454 383 HB2 GLN 88 HB2 GLN 88 15.333 -4.430 -3.538 384 HB3 GLN 88 HB1 GLN 88 13.724 -4.598 -2.835 385 HG2 GLN 88 HG2 GLN 88 14.406 -2.158 -4.455 386 HG3 GLN 88 HG1 GLN 88 13.961 -3.654 -5.269 387 HE21 GLN 88 HE21 GLN 88 12.411 -1.086 -5.118 388 HE22 GLN 88 HE22 GLN 88 10.918 -1.502 -4.426 389 H ALA 89 HN ALA 89 13.120 -3.784 -0.444 390 HA ALA 89 HA ALA 89 10.980 -2.046 -0.969 391 HB1 ALA 89 HB1 ALA 89 10.973 -2.955 1.773 392 HB2 ALA 89 HB2 ALA 89 11.457 -4.260 0.688 393 HB3 ALA 89 HB3 ALA 89 9.921 -3.428 0.437 394 H LYS 90 HN LYS 90 13.662 -1.812 1.308 395 HA LYS 90 HA LYS 90 12.598 0.598 2.552 396 HB2 LYS 90 HB2 LYS 90 15.330 -0.679 2.830 397 HB3 LYS 90 HB1 LYS 90 14.652 0.566 3.871 398 HG2 LYS 90 HG2 LYS 90 13.470 -2.205 3.517 399 HG3 LYS 90 HG1 LYS 90 14.501 -1.728 4.860 400 HD2 LYS 90 HD2 LYS 90 12.808 0.084 5.392 401 HD3 LYS 90 HD1 LYS 90 11.749 -0.654 4.189 402 HE2 LYS 90 HE2 LYS 90 11.840 -2.794 5.402 403 HE3 LYS 90 HE1 LYS 90 12.876 -2.054 6.624 404 HZ1 LYS 90 HZ1 LYS 90 10.105 -2.051 6.530 405 HZ2 LYS 90 HZ2 LYS 90 10.590 -0.454 6.207 406 HZ3 LYS 90 HZ3 LYS 90 11.103 -1.229 7.629 407 H ALA 91 HN ALA 91 14.747 -0.300 -0.004 408 HA ALA 91 HA ALA 91 16.331 1.978 -0.216 409 HB1 ALA 91 HB1 ALA 91 16.684 -0.133 -1.472 410 HB2 ALA 91 HB2 ALA 91 16.744 1.294 -2.507 411 HB3 ALA 91 HB3 ALA 91 15.304 0.273 -2.492 412 H TYR 92 HN TYR 92 13.063 1.394 -1.567 413 HA TYR 92 HA TYR 92 12.937 3.667 -3.188 414 HB2 TYR 92 HB2 TYR 92 11.268 1.902 -3.320 415 HB3 TYR 92 HB1 TYR 92 10.739 2.242 -1.673 416 HD1 TYR 92 HD1 TYR 92 11.086 3.773 -5.061 417 HD2 TYR 92 HD2 TYR 92 9.136 3.926 -1.237 418 HE1 TYR 92 HE1 TYR 92 9.547 5.520 -5.915 419 HE2 TYR 92 HE2 TYR 92 7.597 5.672 -2.092 420 HH TYR 92 HH TYR 92 7.523 7.352 -3.855 421 H LYS 93 HN LYS 93 11.994 3.235 0.222 422 HA LYS 93 HA LYS 93 10.981 5.812 0.659 423 HB2 LYS 93 HB2 LYS 93 10.736 3.910 2.226 424 HB3 LYS 93 HB1 LYS 93 12.447 4.026 2.624 425 HG2 LYS 93 HG2 LYS 93 12.044 6.407 3.357 426 HG3 LYS 93 HG1 LYS 93 10.322 6.136 3.111 427 HD2 LYS 93 HD2 LYS 93 11.999 4.377 4.910 428 HD3 LYS 93 HD1 LYS 93 11.184 5.824 5.499 429 HE2 LYS 93 HE2 LYS 93 9.022 4.863 4.601 430 HE3 LYS 93 HE1 LYS 93 9.896 3.367 4.278 431 HZ1 LYS 93 HZ1 LYS 93 9.855 4.653 6.942 432 HZ2 LYS 93 HZ2 LYS 93 10.368 3.083 6.548 433 HZ3 LYS 93 HZ3 LYS 93 8.720 3.485 6.469 434 H GLU 94 HN GLU 94 14.303 4.548 1.142 435 HA GLU 94 HA GLU 94 15.440 6.917 2.086 436 HB2 GLU 94 HB2 GLU 94 16.517 4.694 2.203 437 HB3 GLU 94 HB1 GLU 94 16.754 4.730 0.457 438 HG2 GLU 94 HG2 GLU 94 18.151 6.731 0.658 439 HG3 GLU 94 HG1 GLU 94 17.863 6.780 2.397 440 H TYR 95 HN TYR 95 14.965 5.764 -1.241 441 HA TYR 95 HA TYR 95 16.541 7.680 -2.549 442 HB2 TYR 95 HB2 TYR 95 15.624 5.754 -3.726 443 HB3 TYR 95 HB1 TYR 95 13.983 6.346 -3.464 444 HD1 TYR 95 HD1 TYR 95 17.242 7.211 -5.061 445 HD2 TYR 95 HD2 TYR 95 13.006 7.921 -4.940 446 HE1 TYR 95 HE1 TYR 95 17.414 8.589 -7.116 447 HE2 TYR 95 HE2 TYR 95 13.179 9.298 -6.995 448 HH TYR 95 HH TYR 95 15.098 10.684 -8.123 449 H ASN 96 HN ASN 96 13.076 7.761 -1.717 450 HA ASN 96 HA ASN 96 12.540 10.338 -2.733 451 HB2 ASN 96 HB2 ASN 96 10.798 8.689 -2.102 452 HB3 ASN 96 HB1 ASN 96 11.227 8.908 -0.408 453 HD21 ASN 96 HD21 ASN 96 9.825 10.316 0.622 454 HD22 ASN 96 HD22 ASN 96 9.074 11.653 -0.103 455 H ASP 97 HN ASP 97 13.532 9.205 0.436 456 HA ASP 97 HA ASP 97 13.366 11.438 2.001 457 HB2 ASP 97 HB2 ASP 97 14.275 9.210 2.719 458 HB3 ASP 97 HB1 ASP 97 15.809 9.660 1.978 459 H LYS 98 HN LYS 98 15.681 10.867 -0.581 460 HA LYS 98 HA LYS 98 17.493 12.951 0.007 461 HB2 LYS 98 HB2 LYS 98 16.688 11.675 -2.615 462 HB3 LYS 98 HB1 LYS 98 17.986 12.857 -2.476 463 HG2 LYS 98 HG2 LYS 98 17.991 10.457 -0.671 464 HG3 LYS 98 HG1 LYS 98 18.531 10.279 -2.339 465 HD2 LYS 98 HD2 LYS 98 20.150 12.144 -1.979 466 HD3 LYS 98 HD1 LYS 98 19.656 12.216 -0.290 467 HE2 LYS 98 HE2 LYS 98 21.685 10.861 -0.506 468 HE3 LYS 98 HE1 LYS 98 20.331 9.846 -0.007 469 HZ1 LYS 98 HZ1 LYS 98 20.451 10.012 -2.828 470 HZ2 LYS 98 HZ2 LYS 98 20.547 8.638 -1.834 471 HZ3 LYS 98 HZ3 LYS 98 21.953 9.509 -2.221 472 H ASN 99 HN ASN 99 14.456 12.880 -1.787 473 HA ASN 99 HA ASN 99 14.636 15.773 -2.290 474 HB2 ASN 99 HB2 ASN 99 12.792 13.622 -3.342 475 HB3 ASN 99 HB1 ASN 99 12.560 15.338 -3.671 476 HD21 ASN 99 HD21 ASN 99 13.142 13.396 -5.745 477 HD22 ASN 99 HD22 ASN 99 14.661 13.782 -6.393 478 H GLY 100 HN GLY 100 13.910 14.168 0.273 479 HA2 GLY 100 HA2 GLY 100 12.327 14.268 1.993 480 HA3 GLY 100 HA1 GLY 100 12.442 15.991 1.641 481 H GLY 101 HN GLY 101 11.053 13.321 -0.268 482 HA2 GLY 101 HA2 GLY 101 8.843 14.804 -1.169 483 HA3 GLY 101 HA1 GLY 101 8.965 13.051 -1.201 484 H ALA 102 HN ALA 102 9.369 13.104 1.817 485 HA ALA 102 HA ALA 102 6.588 12.806 2.497 486 HB1 ALA 102 HB1 ALA 102 8.900 12.893 4.437 487 HB2 ALA 102 HB2 ALA 102 8.528 11.465 3.471 488 HB3 ALA 102 HB3 ALA 102 7.348 12.077 4.631 489 H ASN 103 HN ASN 103 9.116 14.802 4.019 490 HA ASN 103 HA ASN 103 9.005 16.858 5.063 491 HB2 ASN 103 HB2 ASN 103 8.446 17.426 2.627 492 HB3 ASN 103 HB1 ASN 103 6.762 17.490 3.145 493 HD21 ASN 103 HD21 ASN 103 6.528 19.797 2.918 494 HD22 ASN 103 HD22 ASN 103 7.367 20.893 3.904 495 H ARG 104 HN ARG 104 7.721 14.953 6.463 496 HA ARG 104 HA ARG 104 6.187 14.603 8.123 497 HB2 ARG 104 HB2 ARG 104 5.725 17.583 7.829 498 HB3 ARG 104 HB1 ARG 104 5.172 16.585 9.172 499 HG2 ARG 104 HG2 ARG 104 7.433 16.063 9.817 500 HG3 ARG 104 HG1 ARG 104 8.079 16.822 8.361 501 HD2 ARG 104 HD2 ARG 104 6.523 18.279 10.515 502 HD3 ARG 104 HD1 ARG 104 8.278 18.279 10.377 503 HE ARG 104 HE ARG 104 7.253 19.102 7.907 504 HH11 ARG 104 HH11 ARG 104 7.138 21.318 7.417 505 HH12 ARG 104 HH12 ARG 104 7.121 22.483 8.697 506 HH21 ARG 104 HH21 ARG 104 7.301 20.108 11.217 507 HH22 ARG 104 HH22 ARG 104 7.213 21.799 10.849 508 H LYS 105 HN LYS 105 3.698 15.482 8.665 509 HA LYS 105 HA LYS 105 2.182 15.127 6.149 510 HB2 LYS 105 HB2 LYS 105 0.639 13.652 7.398 511 HB3 LYS 105 HB1 LYS 105 2.277 12.993 7.345 512 HG2 LYS 105 HG2 LYS 105 2.715 14.019 9.582 513 HG3 LYS 105 HG1 LYS 105 1.026 14.525 9.643 514 HD2 LYS 105 HD2 LYS 105 0.316 12.168 9.445 515 HD3 LYS 105 HD1 LYS 105 2.010 11.668 9.420 516 HE2 LYS 105 HE2 LYS 105 0.669 13.191 11.673 517 HE3 LYS 105 HE1 LYS 105 1.051 11.474 11.687 518 HZ1 LYS 105 HZ1 LYS 105 3.392 12.640 10.974 519 HZ2 LYS 105 HZ2 LYS 105 2.998 12.083 12.530 520 HZ3 LYS 105 HZ3 LYS 105 2.770 13.717 12.126 521 H VAL 106 HN VAL 106 2.838 17.311 8.370 522 HA VAL 106 HA VAL 106 0.504 18.070 9.654 523 HB VAL 106 HB VAL 106 2.766 19.144 9.900 524 HG11 VAL 106 HG11 VAL 106 3.515 20.754 8.332 525 HG12 VAL 106 HG12 VAL 106 1.947 20.821 7.526 526 HG13 VAL 106 HG13 VAL 106 2.975 19.399 7.341 527 HG21 VAL 106 HG21 VAL 106 1.472 20.604 11.038 528 HG22 VAL 106 HG22 VAL 106 0.136 20.373 9.911 529 HG23 VAL 106 HG23 VAL 106 1.381 21.573 9.566 530 H ASN 107 HN ASN 107 1.553 18.851 6.346 531 HA ASN 107 HA ASN 107 -0.887 20.308 5.794 532 HB2 ASN 107 HB2 ASN 107 1.210 20.991 4.739 533 HB3 ASN 107 HB1 ASN 107 1.333 19.420 3.950 534 HD21 ASN 107 HD21 ASN 107 -0.658 22.388 4.077 535 HD22 ASN 107 HD22 ASN 107 -1.361 22.168 2.549 536 H ASP 108 HN ASP 108 -2.722 19.365 5.328 537 HA ASP 108 HA ASP 108 -2.725 16.925 3.681 538 HB2 ASP 108 HB2 ASP 108 -2.966 16.207 6.023 539 HB3 ASP 108 HB1 ASP 108 -4.342 17.292 6.213 Start of MODEL 19 1 HA THR 40 HA THR 40 -43.143 13.637 8.095 2 HB THR 40 HB THR 40 -44.014 15.154 6.598 3 HG1 THR 40 HG1 THR 40 -45.377 14.457 4.858 4 HG21 THR 40 HG21 THR 40 -42.979 13.118 4.613 5 HG22 THR 40 HG22 THR 40 -41.928 14.112 5.621 6 HG23 THR 40 HG23 THR 40 -42.992 14.872 4.438 7 H LYS 41 HN LYS 41 -44.845 10.924 6.910 8 HA LYS 41 HA LYS 41 -46.709 11.025 9.096 9 HB2 LYS 41 HB2 LYS 41 -48.761 11.062 7.761 10 HB3 LYS 41 HB1 LYS 41 -47.835 12.542 7.517 11 HG2 LYS 41 HG2 LYS 41 -46.868 11.561 5.444 12 HG3 LYS 41 HG1 LYS 41 -47.886 10.137 5.669 13 HD2 LYS 41 HD2 LYS 41 -49.897 11.608 5.609 14 HD3 LYS 41 HD1 LYS 41 -48.848 12.985 5.274 15 HE2 LYS 41 HE2 LYS 41 -49.057 10.496 3.557 16 HE3 LYS 41 HE1 LYS 41 -49.814 12.047 3.192 17 HZ1 LYS 41 HZ1 LYS 41 -47.200 12.655 3.708 18 HZ2 LYS 41 HZ2 LYS 41 -47.926 12.564 2.175 19 HZ3 LYS 41 HZ3 LYS 41 -47.110 11.218 2.812 20 H GLN 42 HN GLN 42 -47.717 9.060 9.484 21 HA GLN 42 HA GLN 42 -46.433 6.764 8.289 22 HB2 GLN 42 HB2 GLN 42 -47.667 5.478 9.949 23 HB3 GLN 42 HB1 GLN 42 -46.919 6.880 10.712 24 HG2 GLN 42 HG2 GLN 42 -49.091 8.105 10.475 25 HG3 GLN 42 HG1 GLN 42 -49.818 6.621 9.860 26 HE21 GLN 42 HE21 GLN 42 -49.549 8.368 12.662 27 HE22 GLN 42 HE22 GLN 42 -49.669 7.106 13.792 28 H LYS 43 HN LYS 43 -49.225 8.576 7.643 29 HA LYS 43 HA LYS 43 -51.020 6.592 6.743 30 HB2 LYS 43 HB2 LYS 43 -51.608 8.977 7.136 31 HB3 LYS 43 HB1 LYS 43 -50.694 9.414 5.697 32 HG2 LYS 43 HG2 LYS 43 -52.160 7.893 4.352 33 HG3 LYS 43 HG1 LYS 43 -53.118 7.592 5.797 34 HD2 LYS 43 HD2 LYS 43 -52.640 10.388 4.750 35 HD3 LYS 43 HD1 LYS 43 -53.985 9.399 4.188 36 HE2 LYS 43 HE2 LYS 43 -54.691 9.136 6.598 37 HE3 LYS 43 HE1 LYS 43 -53.454 10.315 7.030 38 HZ1 LYS 43 HZ1 LYS 43 -54.549 11.775 5.281 39 HZ2 LYS 43 HZ2 LYS 43 -55.370 11.570 6.755 40 HZ3 LYS 43 HZ3 LYS 43 -55.865 10.710 5.377 41 H GLU 44 HN GLU 44 -48.451 8.378 5.104 42 HA GLU 44 HA GLU 44 -47.445 8.098 3.046 43 HB2 GLU 44 HB2 GLU 44 -46.825 5.963 4.234 44 HB3 GLU 44 HB1 GLU 44 -48.192 5.192 3.429 45 HG2 GLU 44 HG2 GLU 44 -47.247 5.758 1.236 46 HG3 GLU 44 HG1 GLU 44 -45.900 6.584 2.015 47 H ALA 45 HN ALA 45 -49.546 9.255 2.365 48 HA ALA 45 HA ALA 45 -51.669 7.927 1.134 49 HB1 ALA 45 HB1 ALA 45 -52.061 10.191 1.454 50 HB2 ALA 45 HB2 ALA 45 -51.734 10.137 -0.278 51 HB3 ALA 45 HB3 ALA 45 -50.474 10.658 0.840 52 H VAL 46 HN VAL 46 -48.524 8.901 -0.183 53 HA VAL 46 HA VAL 46 -49.176 7.383 -2.640 54 HB VAL 46 HB VAL 46 -47.579 8.862 -3.808 55 HG11 VAL 46 HG11 VAL 46 -48.991 10.980 -3.586 56 HG12 VAL 46 HG12 VAL 46 -49.891 10.133 -2.327 57 HG13 VAL 46 HG13 VAL 46 -49.875 9.504 -3.974 58 HG21 VAL 46 HG21 VAL 46 -46.987 11.011 -2.531 59 HG22 VAL 46 HG22 VAL 46 -46.103 9.558 -2.071 60 HG23 VAL 46 HG23 VAL 46 -47.434 10.133 -1.068 61 H ASN 47 HN ASN 47 -47.444 6.205 -3.600 62 HA ASN 47 HA ASN 47 -45.704 4.996 -1.629 63 HB2 ASN 47 HB2 ASN 47 -45.135 3.424 -3.383 64 HB3 ASN 47 HB1 ASN 47 -46.882 3.661 -3.365 65 HD21 ASN 47 HD21 ASN 47 -46.463 2.796 -5.725 66 HD22 ASN 47 HD22 ASN 47 -46.178 3.982 -6.905 67 H ASP 48 HN ASP 48 -43.419 4.391 -2.652 68 HA ASP 48 HA ASP 48 -42.168 6.674 -3.968 69 HB2 ASP 48 HB2 ASP 48 -40.506 7.005 -2.213 70 HB3 ASP 48 HB1 ASP 48 -42.125 7.273 -1.571 71 H LYS 49 HN LYS 49 -39.799 6.241 -4.327 72 HA LYS 49 HA LYS 49 -39.452 3.393 -4.998 73 HB2 LYS 49 HB2 LYS 49 -38.127 5.875 -6.082 74 HB3 LYS 49 HB1 LYS 49 -37.714 4.235 -6.580 75 HG2 LYS 49 HG2 LYS 49 -40.160 3.914 -7.174 76 HG3 LYS 49 HG1 LYS 49 -40.378 5.642 -6.913 77 HD2 LYS 49 HD2 LYS 49 -38.335 4.511 -8.842 78 HD3 LYS 49 HD1 LYS 49 -39.970 4.953 -9.326 79 HE2 LYS 49 HE2 LYS 49 -37.900 6.823 -8.122 80 HE3 LYS 49 HE1 LYS 49 -38.438 6.800 -9.796 81 HZ1 LYS 49 HZ1 LYS 49 -40.770 7.029 -8.618 82 HZ2 LYS 49 HZ2 LYS 49 -39.818 8.383 -9.003 83 HZ3 LYS 49 HZ3 LYS 49 -39.824 7.768 -7.420 84 H GLY 50 HN GLY 50 -38.724 5.300 -2.507 85 HA2 GLY 50 HA2 GLY 50 -37.225 4.994 -0.765 86 HA3 GLY 50 HA1 GLY 50 -36.487 3.686 -1.684 87 H LYS 51 HN LYS 51 -36.869 6.743 -3.249 88 HA LYS 51 HA LYS 51 -34.130 7.010 -3.838 89 HB2 LYS 51 HB2 LYS 51 -36.412 8.987 -3.935 90 HB3 LYS 51 HB1 LYS 51 -34.789 9.367 -4.506 91 HG2 LYS 51 HG2 LYS 51 -36.107 6.860 -5.480 92 HG3 LYS 51 HG1 LYS 51 -36.606 8.401 -6.176 93 HD2 LYS 51 HD2 LYS 51 -34.218 8.891 -6.714 94 HD3 LYS 51 HD1 LYS 51 -33.779 7.295 -6.102 95 HE2 LYS 51 HE2 LYS 51 -35.758 7.774 -8.344 96 HE3 LYS 51 HE1 LYS 51 -34.064 7.348 -8.587 97 HZ1 LYS 51 HZ1 LYS 51 -36.266 5.677 -7.892 98 HZ2 LYS 51 HZ2 LYS 51 -34.997 5.523 -6.771 99 HZ3 LYS 51 HZ3 LYS 51 -34.713 5.247 -8.424 100 H ALA 52 HN ALA 52 -36.132 8.459 -1.298 101 HA ALA 52 HA ALA 52 -34.252 10.318 -0.339 102 HB1 ALA 52 HB1 ALA 52 -35.926 9.040 1.716 103 HB2 ALA 52 HB2 ALA 52 -36.824 9.642 0.322 104 HB3 ALA 52 HB3 ALA 52 -35.804 10.738 1.254 105 H ALA 53 HN ALA 53 -34.789 6.907 0.477 106 HA ALA 53 HA ALA 53 -32.297 6.951 2.073 107 HB1 ALA 53 HB1 ALA 53 -34.550 4.931 2.152 108 HB2 ALA 53 HB2 ALA 53 -34.350 6.259 3.296 109 HB3 ALA 53 HB3 ALA 53 -33.144 4.977 3.215 110 H VAL 54 HN VAL 54 -30.595 6.189 0.984 111 HA VAL 54 HA VAL 54 -31.043 4.077 -1.040 112 HB VAL 54 HB VAL 54 -28.699 4.880 -1.809 113 HG11 VAL 54 HG11 VAL 54 -30.736 5.236 -3.110 114 HG12 VAL 54 HG12 VAL 54 -29.773 6.713 -3.127 115 HG13 VAL 54 HG13 VAL 54 -31.187 6.595 -2.080 116 HG21 VAL 54 HG21 VAL 54 -28.844 6.410 0.446 117 HG22 VAL 54 HG22 VAL 54 -29.457 7.543 -0.758 118 HG23 VAL 54 HG23 VAL 54 -27.858 6.827 -0.955 119 H VAL 55 HN VAL 55 -30.429 2.121 -0.487 120 HA VAL 55 HA VAL 55 -28.961 1.503 1.860 121 HB VAL 55 HB VAL 55 -29.711 -0.158 -0.553 122 HG11 VAL 55 HG11 VAL 55 -27.917 -1.382 0.290 123 HG12 VAL 55 HG12 VAL 55 -29.249 -2.027 1.249 124 HG13 VAL 55 HG13 VAL 55 -28.171 -0.813 1.939 125 HG21 VAL 55 HG21 VAL 55 -30.788 -0.117 2.284 126 HG22 VAL 55 HG22 VAL 55 -31.430 -1.038 0.924 127 HG23 VAL 55 HG23 VAL 55 -31.541 0.721 0.927 128 H LYS 56 HN LYS 56 -28.073 1.605 -1.565 129 HA LYS 56 HA LYS 56 -25.512 0.503 -1.383 130 HB2 LYS 56 HB2 LYS 56 -25.077 1.578 -3.529 131 HB3 LYS 56 HB1 LYS 56 -26.704 0.899 -3.504 132 HG2 LYS 56 HG2 LYS 56 -27.612 3.136 -2.932 133 HG3 LYS 56 HG1 LYS 56 -25.986 3.809 -3.025 134 HD2 LYS 56 HD2 LYS 56 -25.816 3.154 -5.378 135 HD3 LYS 56 HD1 LYS 56 -27.416 2.412 -5.301 136 HE2 LYS 56 HE2 LYS 56 -27.583 4.652 -6.286 137 HE3 LYS 56 HE1 LYS 56 -28.393 4.620 -4.720 138 HZ1 LYS 56 HZ1 LYS 56 -25.744 5.244 -4.222 139 HZ2 LYS 56 HZ2 LYS 56 -27.087 6.280 -4.106 140 HZ3 LYS 56 HZ3 LYS 56 -26.197 6.195 -5.550 141 H VAL 57 HN VAL 57 -26.621 3.514 -0.188 142 HA VAL 57 HA VAL 57 -24.474 5.221 -0.482 143 HB VAL 57 HB VAL 57 -26.623 5.735 0.707 144 HG11 VAL 57 HG11 VAL 57 -27.032 4.996 2.887 145 HG12 VAL 57 HG12 VAL 57 -25.331 4.640 3.189 146 HG13 VAL 57 HG13 VAL 57 -26.285 3.573 2.158 147 HG21 VAL 57 HG21 VAL 57 -24.950 6.713 2.767 148 HG22 VAL 57 HG22 VAL 57 -25.425 7.555 1.293 149 HG23 VAL 57 HG23 VAL 57 -23.938 6.608 1.328 150 H VAL 58 HN VAL 58 -24.773 2.433 1.655 151 HA VAL 58 HA VAL 58 -22.312 2.986 3.059 152 HB VAL 58 HB VAL 58 -22.655 0.753 4.048 153 HG11 VAL 58 HG11 VAL 58 -24.568 1.340 5.310 154 HG12 VAL 58 HG12 VAL 58 -25.327 2.150 3.940 155 HG13 VAL 58 HG13 VAL 58 -23.943 2.889 4.745 156 HG21 VAL 58 HG21 VAL 58 -25.189 0.010 3.172 157 HG22 VAL 58 HG22 VAL 58 -23.674 -0.766 2.712 158 HG23 VAL 58 HG23 VAL 58 -24.368 0.490 1.688 159 H GLU 59 HN GLU 59 -23.310 1.088 0.279 160 HA GLU 59 HA GLU 59 -21.036 -0.547 0.034 161 HB2 GLU 59 HB2 GLU 59 -22.954 0.524 -2.040 162 HB3 GLU 59 HB1 GLU 59 -21.677 -0.633 -2.412 163 HG2 GLU 59 HG2 GLU 59 -22.596 -2.240 -0.847 164 HG3 GLU 59 HG1 GLU 59 -23.790 -1.071 -0.287 165 H SER 60 HN SER 60 -21.679 2.736 -1.169 166 HA SER 60 HA SER 60 -19.338 2.981 -2.733 167 HB2 SER 60 HB2 SER 60 -19.718 5.398 -2.571 168 HB3 SER 60 HB1 SER 60 -21.234 4.556 -2.874 169 HG SER 60 HG SER 60 -20.270 5.735 -0.504 170 H GLN 61 HN GLN 61 -20.010 3.582 0.675 171 HA GLN 61 HA GLN 61 -17.468 4.698 1.318 172 HB2 GLN 61 HB2 GLN 61 -19.589 4.909 2.691 173 HB3 GLN 61 HB1 GLN 61 -19.336 3.239 3.200 174 HG2 GLN 61 HG2 GLN 61 -17.202 5.362 3.522 175 HG3 GLN 61 HG1 GLN 61 -18.414 5.049 4.760 176 HE21 GLN 61 HE21 GLN 61 -18.599 2.229 4.631 177 HE22 GLN 61 HE22 GLN 61 -17.106 1.558 5.077 178 H ALA 62 HN ALA 62 -18.783 1.463 1.212 179 HA ALA 62 HA ALA 62 -16.670 0.121 2.570 180 HB1 ALA 62 HB1 ALA 62 -18.172 -1.266 0.401 181 HB2 ALA 62 HB2 ALA 62 -19.088 -0.681 1.790 182 HB3 ALA 62 HB3 ALA 62 -17.764 -1.823 2.025 183 H GLU 63 HN GLU 63 -17.256 0.922 -0.826 184 HA GLU 63 HA GLU 63 -15.100 -0.523 -1.930 185 HB2 GLU 63 HB2 GLU 63 -16.564 1.937 -2.893 186 HB3 GLU 63 HB1 GLU 63 -15.347 1.092 -3.850 187 HG2 GLU 63 HG2 GLU 63 -17.784 -0.271 -2.680 188 HG3 GLU 63 HG1 GLU 63 -17.734 0.386 -4.315 189 H LEU 64 HN LEU 64 -15.303 2.782 -0.659 190 HA LEU 64 HA LEU 64 -12.788 3.678 -1.519 191 HB2 LEU 64 HB2 LEU 64 -14.518 5.167 -0.600 192 HB3 LEU 64 HB1 LEU 64 -14.333 4.414 0.982 193 HG LEU 64 HG LEU 64 -11.976 5.168 1.066 194 HD11 LEU 64 HD11 LEU 64 -11.559 7.047 -0.785 195 HD12 LEU 64 HD12 LEU 64 -12.654 6.026 -1.717 196 HD13 LEU 64 HD13 LEU 64 -11.149 5.358 -1.085 197 HD21 LEU 64 HD21 LEU 64 -13.048 7.757 0.454 198 HD22 LEU 64 HD22 LEU 64 -12.797 7.021 2.037 199 HD23 LEU 64 HD23 LEU 64 -14.320 6.776 1.183 200 H TYR 65 HN TYR 65 -13.758 2.068 1.503 201 HA TYR 65 HA TYR 65 -11.237 2.082 2.751 202 HB2 TYR 65 HB2 TYR 65 -13.254 1.560 3.995 203 HB3 TYR 65 HB1 TYR 65 -13.533 0.127 3.008 204 HD1 TYR 65 HD1 TYR 65 -11.116 1.686 5.387 205 HD2 TYR 65 HD2 TYR 65 -12.497 -1.936 3.536 206 HE1 TYR 65 HE1 TYR 65 -9.676 0.358 6.909 207 HE2 TYR 65 HE2 TYR 65 -11.057 -3.264 5.057 208 HH TYR 65 HH TYR 65 -9.401 -3.166 6.569 209 H SER 66 HN SER 66 -12.795 -0.404 0.741 210 HA SER 66 HA SER 66 -10.688 -2.278 0.827 211 HB2 SER 66 HB2 SER 66 -12.850 -1.829 -1.236 212 HB3 SER 66 HB1 SER 66 -11.764 -3.217 -1.226 213 HG SER 66 HG SER 66 -13.087 -2.575 1.144 214 H LEU 67 HN LEU 67 -11.371 0.395 -1.392 215 HA LEU 67 HA LEU 67 -9.729 -0.023 -3.488 216 HB2 LEU 67 HB2 LEU 67 -10.879 2.251 -2.259 217 HB3 LEU 67 HB1 LEU 67 -9.186 2.643 -2.548 218 HG LEU 67 HG LEU 67 -10.542 3.259 -4.495 219 HD11 LEU 67 HD11 LEU 67 -8.218 1.755 -4.521 220 HD12 LEU 67 HD12 LEU 67 -8.902 2.606 -5.907 221 HD13 LEU 67 HD13 LEU 67 -9.257 0.897 -5.659 222 HD21 LEU 67 HD21 LEU 67 -11.888 0.832 -3.883 223 HD22 LEU 67 HD22 LEU 67 -11.179 0.632 -5.486 224 HD23 LEU 67 HD23 LEU 67 -12.270 1.980 -5.167 225 H GLU 68 HN GLU 68 -8.595 1.303 -0.365 226 HA GLU 68 HA GLU 68 -5.868 1.436 -1.110 227 HB2 GLU 68 HB2 GLU 68 -7.212 1.205 1.586 228 HB3 GLU 68 HB1 GLU 68 -5.472 1.421 1.390 229 HG2 GLU 68 HG2 GLU 68 -5.803 3.516 0.220 230 HG3 GLU 68 HG1 GLU 68 -7.549 3.279 0.204 231 H LYS 69 HN LYS 69 -7.782 -1.065 0.451 232 HA LYS 69 HA LYS 69 -5.631 -2.855 0.964 233 HB2 LYS 69 HB2 LYS 69 -8.600 -3.322 0.633 234 HB3 LYS 69 HB1 LYS 69 -7.469 -4.596 1.078 235 HG2 LYS 69 HG2 LYS 69 -7.426 -2.033 2.632 236 HG3 LYS 69 HG1 LYS 69 -8.722 -3.183 2.946 237 HD2 LYS 69 HD2 LYS 69 -5.868 -4.137 2.881 238 HD3 LYS 69 HD1 LYS 69 -6.492 -3.347 4.325 239 HE2 LYS 69 HE2 LYS 69 -8.370 -4.998 4.368 240 HE3 LYS 69 HE1 LYS 69 -7.635 -5.829 2.999 241 HZ1 LYS 69 HZ1 LYS 69 -6.006 -5.285 5.378 242 HZ2 LYS 69 HZ2 LYS 69 -5.880 -6.547 4.248 243 HZ3 LYS 69 HZ3 LYS 69 -7.112 -6.571 5.418 244 H ASN 70 HN ASN 70 -7.884 -2.526 -1.746 245 HA ASN 70 HA ASN 70 -7.883 -3.406 -3.862 246 HB2 ASN 70 HB2 ASN 70 -5.630 -2.112 -3.684 247 HB3 ASN 70 HB1 ASN 70 -4.903 -3.715 -3.624 248 HD21 ASN 70 HD21 ASN 70 -4.023 -2.648 -5.810 249 HD22 ASN 70 HD22 ASN 70 -4.927 -3.021 -7.197 250 H GLU 71 HN GLU 71 -7.880 -5.210 -1.443 251 HA GLU 71 HA GLU 71 -7.612 -7.451 -0.907 252 HB2 GLU 71 HB2 GLU 71 -8.626 -7.502 -3.754 253 HB3 GLU 71 HB1 GLU 71 -8.579 -8.918 -2.704 254 HG2 GLU 71 HG2 GLU 71 -10.029 -7.811 -1.082 255 HG3 GLU 71 HG1 GLU 71 -10.017 -6.334 -2.043 256 H ASP 72 HN ASP 72 -5.183 -6.147 -2.066 257 HA ASP 72 HA ASP 72 -3.868 -8.596 -3.095 258 HB2 ASP 72 HB2 ASP 72 -3.224 -5.726 -3.802 259 HB3 ASP 72 HB1 ASP 72 -2.351 -7.147 -4.372 260 H ALA 73 HN ALA 73 -2.177 -9.317 -1.965 261 HA ALA 73 HA ALA 73 -1.489 -8.304 0.544 262 HB1 ALA 73 HB1 ALA 73 0.752 -9.702 -0.211 263 HB2 ALA 73 HB2 ALA 73 -0.488 -10.388 -1.260 264 HB3 ALA 73 HB3 ALA 73 -0.700 -10.416 0.490 265 H SER 74 HN SER 74 0.143 -7.039 1.308 266 HA SER 74 HA SER 74 1.236 -5.092 -0.528 267 HB2 SER 74 HB2 SER 74 2.017 -3.944 1.434 268 HB3 SER 74 HB1 SER 74 0.387 -4.524 1.767 269 HG SER 74 HG SER 74 2.635 -6.104 2.383 270 H LEU 75 HN LEU 75 3.609 -4.452 -0.221 271 HA LEU 75 HA LEU 75 5.240 -6.640 -1.000 272 HB2 LEU 75 HB2 LEU 75 5.693 -3.749 -0.378 273 HB3 LEU 75 HB1 LEU 75 7.086 -4.826 -0.468 274 HG LEU 75 HG LEU 75 6.398 -5.552 -2.718 275 HD11 LEU 75 HD11 LEU 75 4.543 -4.217 -3.824 276 HD12 LEU 75 HD12 LEU 75 4.115 -3.624 -2.220 277 HD13 LEU 75 HD13 LEU 75 4.005 -5.346 -2.581 278 HD21 LEU 75 HD21 LEU 75 7.569 -3.809 -3.542 279 HD22 LEU 75 HD22 LEU 75 7.380 -3.009 -1.981 280 HD23 LEU 75 HD23 LEU 75 6.213 -2.716 -3.269 281 H ARG 76 HN ARG 76 4.318 -5.353 2.059 282 HA ARG 76 HA ARG 76 6.600 -6.422 3.496 283 HB2 ARG 76 HB2 ARG 76 3.995 -5.173 4.396 284 HB3 ARG 76 HB1 ARG 76 5.239 -5.752 5.507 285 HG2 ARG 76 HG2 ARG 76 6.879 -4.231 4.472 286 HG3 ARG 76 HG1 ARG 76 5.642 -3.653 3.355 287 HD2 ARG 76 HD2 ARG 76 4.297 -2.845 5.253 288 HD3 ARG 76 HD1 ARG 76 5.521 -3.433 6.376 289 HE ARG 76 HE ARG 76 6.750 -1.699 4.520 290 HH11 ARG 76 HH11 ARG 76 7.220 0.425 5.163 291 HH12 ARG 76 HH12 ARG 76 6.382 1.125 6.507 292 HH21 ARG 76 HH21 ARG 76 4.467 -1.703 7.119 293 HH22 ARG 76 HH22 ARG 76 4.820 -0.082 7.616 294 H LYS 77 HN LYS 77 3.372 -7.357 2.590 295 HA LYS 77 HA LYS 77 3.042 -9.487 4.442 296 HB2 LYS 77 HB2 LYS 77 1.770 -8.919 1.756 297 HB3 LYS 77 HB1 LYS 77 1.288 -10.261 2.790 298 HG2 LYS 77 HG2 LYS 77 1.390 -7.480 3.929 299 HG3 LYS 77 HG1 LYS 77 0.006 -7.965 2.954 300 HD2 LYS 77 HD2 LYS 77 -0.313 -9.935 4.460 301 HD3 LYS 77 HD1 LYS 77 0.999 -9.338 5.473 302 HE2 LYS 77 HE2 LYS 77 -0.232 -7.254 5.878 303 HE3 LYS 77 HE1 LYS 77 -1.541 -7.814 4.834 304 HZ1 LYS 77 HZ1 LYS 77 -0.767 -9.645 6.939 305 HZ2 LYS 77 HZ2 LYS 77 -2.316 -9.197 6.401 306 HZ3 LYS 77 HZ3 LYS 77 -1.465 -8.196 7.478 307 H LEU 78 HN LEU 78 4.677 -9.164 1.393 308 HA LEU 78 HA LEU 78 5.073 -12.064 1.153 309 HB2 LEU 78 HB2 LEU 78 5.886 -9.709 -0.563 310 HB3 LEU 78 HB1 LEU 78 6.388 -11.360 -0.906 311 HG LEU 78 HG LEU 78 3.496 -10.497 -0.595 312 HD11 LEU 78 HD11 LEU 78 5.232 -10.814 -3.050 313 HD12 LEU 78 HD12 LEU 78 4.307 -9.397 -2.554 314 HD13 LEU 78 HD13 LEU 78 3.471 -10.843 -3.120 315 HD21 LEU 78 HD21 LEU 78 4.898 -13.074 -1.100 316 HD22 LEU 78 HD22 LEU 78 3.472 -12.763 -2.085 317 HD23 LEU 78 HD23 LEU 78 3.343 -12.768 -0.327 318 H GLN 79 HN GLN 79 6.953 -9.087 1.508 319 HA GLN 79 HA GLN 79 9.486 -10.179 1.748 320 HB2 GLN 79 HB2 GLN 79 8.932 -7.736 1.575 321 HB3 GLN 79 HB1 GLN 79 8.488 -7.770 3.280 322 HG2 GLN 79 HG2 GLN 79 11.190 -8.764 2.375 323 HG3 GLN 79 HG1 GLN 79 10.903 -7.052 2.660 324 HE21 GLN 79 HE21 GLN 79 12.591 -9.005 4.246 325 HE22 GLN 79 HE22 GLN 79 11.989 -8.909 5.830 326 H ALA 80 HN ALA 80 6.942 -9.925 4.209 327 HA ALA 80 HA ALA 80 8.535 -10.461 6.467 328 HB1 ALA 80 HB1 ALA 80 5.685 -10.549 5.786 329 HB2 ALA 80 HB2 ALA 80 6.467 -10.039 7.281 330 HB3 ALA 80 HB3 ALA 80 6.149 -11.748 6.992 331 H ASP 81 HN ASP 81 6.968 -12.604 4.125 332 HA ASP 81 HA ASP 81 7.789 -15.035 5.406 333 HB2 ASP 81 HB2 ASP 81 6.802 -14.414 2.617 334 HB3 ASP 81 HB1 ASP 81 7.199 -16.045 3.153 335 H GLY 82 HN GLY 82 9.375 -12.661 3.723 336 HA2 GLY 82 HA2 GLY 82 11.652 -12.479 3.221 337 HA3 GLY 82 HA1 GLY 82 11.834 -14.194 3.580 338 H ARG 83 HN ARG 83 9.260 -13.482 1.471 339 HA ARG 83 HA ARG 83 10.318 -14.975 -0.675 340 HB2 ARG 83 HB2 ARG 83 8.055 -12.962 -0.558 341 HB3 ARG 83 HB1 ARG 83 8.403 -13.949 -1.973 342 HG2 ARG 83 HG2 ARG 83 7.949 -15.206 0.734 343 HG3 ARG 83 HG1 ARG 83 6.598 -14.798 -0.320 344 HD2 ARG 83 HD2 ARG 83 7.596 -16.194 -2.111 345 HD3 ARG 83 HD1 ARG 83 8.907 -16.641 -1.030 346 HE ARG 83 HE ARG 83 6.159 -17.590 -0.902 347 HH11 ARG 83 HH11 ARG 83 5.846 -19.319 0.539 348 HH12 ARG 83 HH12 ARG 83 7.085 -19.725 1.680 349 HH21 ARG 83 HH21 ARG 83 9.240 -17.220 0.639 350 HH22 ARG 83 HH22 ARG 83 9.003 -18.538 1.735 351 H ILE 84 HN ILE 84 10.196 -11.515 -0.025 352 HA ILE 84 HA ILE 84 12.026 -11.088 -2.312 353 HB ILE 84 HB ILE 84 11.041 -8.828 -2.521 354 HG12 ILE 84 HG12 ILE 84 8.942 -9.847 -0.576 355 HG13 ILE 84 HG11 ILE 84 10.227 -8.728 -0.123 356 HG21 ILE 84 HG21 ILE 84 8.898 -9.588 -3.499 357 HG22 ILE 84 HG22 ILE 84 9.073 -11.127 -2.660 358 HG23 ILE 84 HG23 ILE 84 10.225 -10.673 -3.915 359 HD11 ILE 84 HD11 ILE 84 9.436 -7.201 -1.973 360 HD12 ILE 84 HD12 ILE 84 8.285 -7.405 -0.653 361 HD13 ILE 84 HD13 ILE 84 8.048 -8.270 -2.172 362 H THR 85 HN THR 85 13.480 -9.265 -2.102 363 HA THR 85 HA THR 85 14.792 -9.264 0.428 364 HB THR 85 HB THR 85 15.999 -9.033 -1.722 365 HG1 THR 85 HG1 THR 85 16.188 -6.868 0.095 366 HG21 THR 85 HG21 THR 85 15.435 -7.481 -3.250 367 HG22 THR 85 HG22 THR 85 15.497 -6.190 -2.050 368 HG23 THR 85 HG23 THR 85 14.021 -7.132 -2.255 369 H GLU 86 HN GLU 86 15.107 -7.532 1.856 370 HA GLU 86 HA GLU 86 12.799 -5.796 2.142 371 HB2 GLU 86 HB2 GLU 86 13.795 -5.174 4.275 372 HB3 GLU 86 HB1 GLU 86 13.832 -6.927 4.097 373 HG2 GLU 86 HG2 GLU 86 16.188 -6.729 3.251 374 HG3 GLU 86 HG1 GLU 86 16.133 -5.010 3.628 375 H GLU 87 HN GLU 87 16.099 -5.588 1.106 376 HA GLU 87 HA GLU 87 16.569 -2.840 1.358 377 HB2 GLU 87 HB2 GLU 87 17.618 -4.866 -0.617 378 HB3 GLU 87 HB1 GLU 87 18.209 -3.206 -0.532 379 HG2 GLU 87 HG2 GLU 87 18.906 -3.509 1.770 380 HG3 GLU 87 HG1 GLU 87 18.171 -5.111 1.823 381 H GLN 88 HN GLN 88 14.986 -4.643 -1.259 382 HA GLN 88 HA GLN 88 14.863 -2.556 -3.133 383 HB2 GLN 88 HB2 GLN 88 14.320 -4.914 -3.653 384 HB3 GLN 88 HB1 GLN 88 12.844 -4.771 -2.698 385 HG2 GLN 88 HG2 GLN 88 12.017 -3.009 -4.179 386 HG3 GLN 88 HG1 GLN 88 13.518 -3.049 -5.101 387 HE21 GLN 88 HE21 GLN 88 11.441 -3.504 -6.703 388 HE22 GLN 88 HE22 GLN 88 11.214 -5.153 -7.033 389 H ALA 89 HN ALA 89 12.635 -3.448 -0.517 390 HA ALA 89 HA ALA 89 10.626 -1.558 -1.104 391 HB1 ALA 89 HB1 ALA 89 10.791 -1.941 1.717 392 HB2 ALA 89 HB2 ALA 89 11.162 -3.476 0.933 393 HB3 ALA 89 HB3 ALA 89 9.644 -2.650 0.582 394 H LYS 90 HN LYS 90 13.553 -1.355 0.875 395 HA LYS 90 HA LYS 90 13.075 1.134 2.067 396 HB2 LYS 90 HB2 LYS 90 15.700 -0.149 1.276 397 HB3 LYS 90 HB1 LYS 90 15.539 1.229 2.361 398 HG2 LYS 90 HG2 LYS 90 14.208 -1.444 2.859 399 HG3 LYS 90 HG1 LYS 90 15.782 -1.013 3.517 400 HD2 LYS 90 HD2 LYS 90 14.648 1.027 4.550 401 HD3 LYS 90 HD1 LYS 90 13.111 0.283 4.109 402 HE2 LYS 90 HE2 LYS 90 13.621 -0.349 6.378 403 HE3 LYS 90 HE1 LYS 90 13.795 -1.768 5.352 404 HZ1 LYS 90 HZ1 LYS 90 15.886 -1.948 6.008 405 HZ2 LYS 90 HZ2 LYS 90 15.715 -0.581 7.002 406 HZ3 LYS 90 HZ3 LYS 90 16.238 -0.407 5.395 407 H ALA 91 HN ALA 91 14.491 0.342 -1.097 408 HA ALA 91 HA ALA 91 15.496 2.872 -1.715 409 HB1 ALA 91 HB1 ALA 91 16.067 1.755 -3.572 410 HB2 ALA 91 HB2 ALA 91 14.380 1.735 -4.082 411 HB3 ALA 91 HB3 ALA 91 15.019 0.420 -3.095 412 H TYR 92 HN TYR 92 12.213 1.556 -2.196 413 HA TYR 92 HA TYR 92 11.150 3.813 -3.523 414 HB2 TYR 92 HB2 TYR 92 9.993 1.646 -3.470 415 HB3 TYR 92 HB1 TYR 92 9.769 1.799 -1.727 416 HD1 TYR 92 HD1 TYR 92 8.970 3.418 -4.990 417 HD2 TYR 92 HD2 TYR 92 7.956 3.038 -0.833 418 HE1 TYR 92 HE1 TYR 92 6.900 4.729 -5.376 419 HE2 TYR 92 HE2 TYR 92 5.887 4.349 -1.218 420 HH TYR 92 HH TYR 92 5.048 5.545 -4.475 421 H LYS 93 HN LYS 93 11.244 2.867 -0.123 422 HA LYS 93 HA LYS 93 9.851 5.037 0.975 423 HB2 LYS 93 HB2 LYS 93 10.374 2.940 2.183 424 HB3 LYS 93 HB1 LYS 93 12.069 3.419 2.243 425 HG2 LYS 93 HG2 LYS 93 11.479 5.432 3.520 426 HG3 LYS 93 HG1 LYS 93 9.769 5.006 3.423 427 HD2 LYS 93 HD2 LYS 93 10.198 2.931 4.666 428 HD3 LYS 93 HD1 LYS 93 11.919 3.318 4.737 429 HE2 LYS 93 HE2 LYS 93 10.828 3.956 6.839 430 HE3 LYS 93 HE1 LYS 93 11.385 5.395 5.985 431 HZ1 LYS 93 HZ1 LYS 93 9.267 5.997 5.423 432 HZ2 LYS 93 HZ2 LYS 93 8.976 5.266 6.929 433 HZ3 LYS 93 HZ3 LYS 93 8.663 4.414 5.493 434 H GLU 94 HN GLU 94 13.112 4.821 -0.227 435 HA GLU 94 HA GLU 94 14.282 6.940 1.227 436 HB2 GLU 94 HB2 GLU 94 15.565 5.292 -0.123 437 HB3 GLU 94 HB1 GLU 94 14.929 6.040 -1.587 438 HG2 GLU 94 HG2 GLU 94 15.950 8.177 -0.980 439 HG3 GLU 94 HG1 GLU 94 16.534 7.490 0.534 440 H TYR 95 HN TYR 95 12.262 6.826 -1.635 441 HA TYR 95 HA TYR 95 12.657 9.437 -2.604 442 HB2 TYR 95 HB2 TYR 95 11.467 7.768 -3.911 443 HB3 TYR 95 HB1 TYR 95 10.198 7.671 -2.689 444 HD1 TYR 95 HD1 TYR 95 11.854 9.998 -5.093 445 HD2 TYR 95 HD2 TYR 95 8.390 9.196 -2.682 446 HE1 TYR 95 HE1 TYR 95 10.666 11.892 -6.169 447 HE2 TYR 95 HE2 TYR 95 7.203 11.090 -3.758 448 HH TYR 95 HH TYR 95 8.162 12.499 -6.574 449 H ASN 96 HN ASN 96 10.324 8.153 -0.252 450 HA ASN 96 HA ASN 96 8.914 10.533 0.236 451 HB2 ASN 96 HB2 ASN 96 8.285 8.207 1.003 452 HB3 ASN 96 HB1 ASN 96 9.494 8.377 2.275 453 HD21 ASN 96 HD21 ASN 96 8.093 8.558 4.092 454 HD22 ASN 96 HD22 ASN 96 6.962 9.812 4.269 455 H ASP 97 HN ASP 97 11.864 9.230 1.708 456 HA ASP 97 HA ASP 97 12.160 11.126 3.760 457 HB2 ASP 97 HB2 ASP 97 13.481 9.034 3.587 458 HB3 ASP 97 HB1 ASP 97 14.350 9.720 2.215 459 H LYS 98 HN LYS 98 13.249 11.158 0.388 460 HA LYS 98 HA LYS 98 14.766 13.529 0.480 461 HB2 LYS 98 HB2 LYS 98 14.811 11.946 -1.417 462 HB3 LYS 98 HB1 LYS 98 13.156 12.397 -1.825 463 HG2 LYS 98 HG2 LYS 98 13.865 14.721 -2.213 464 HG3 LYS 98 HG1 LYS 98 15.518 14.301 -1.765 465 HD2 LYS 98 HD2 LYS 98 15.625 12.703 -3.639 466 HD3 LYS 98 HD1 LYS 98 13.968 13.112 -4.084 467 HE2 LYS 98 HE2 LYS 98 14.643 15.452 -4.473 468 HE3 LYS 98 HE1 LYS 98 16.300 15.051 -4.018 469 HZ1 LYS 98 HZ1 LYS 98 15.915 13.220 -5.860 470 HZ2 LYS 98 HZ2 LYS 98 16.462 14.783 -6.245 471 HZ3 LYS 98 HZ3 LYS 98 14.824 14.381 -6.444 472 H ASN 99 HN ASN 99 11.342 12.935 -0.071 473 HA ASN 99 HA ASN 99 10.643 15.630 -0.676 474 HB2 ASN 99 HB2 ASN 99 9.015 13.261 0.251 475 HB3 ASN 99 HB1 ASN 99 8.304 14.822 -0.152 476 HD21 ASN 99 HD21 ASN 99 9.502 11.862 -1.484 477 HD22 ASN 99 HD22 ASN 99 9.379 12.303 -3.118 478 H GLY 100 HN GLY 100 11.615 14.170 2.189 479 HA2 GLY 100 HA2 GLY 100 11.915 15.971 3.966 480 HA3 GLY 100 HA1 GLY 100 10.166 16.139 3.856 481 H GLY 101 HN GLY 101 11.487 15.507 6.247 482 HA2 GLY 101 HA2 GLY 101 11.630 12.757 6.842 483 HA3 GLY 101 HA1 GLY 101 11.373 14.042 8.020 484 H ALA 102 HN ALA 102 8.947 15.071 6.997 485 HA ALA 102 HA ALA 102 7.122 12.963 7.895 486 HB1 ALA 102 HB1 ALA 102 6.458 15.844 7.269 487 HB2 ALA 102 HB2 ALA 102 7.073 15.322 8.836 488 HB3 ALA 102 HB3 ALA 102 5.527 14.711 8.247 489 H ASN 103 HN ASN 103 6.805 15.528 5.436 490 HA ASN 103 HA ASN 103 5.868 15.496 3.331 491 HB2 ASN 103 HB2 ASN 103 7.897 13.975 3.042 492 HB3 ASN 103 HB1 ASN 103 6.776 12.624 3.188 493 HD21 ASN 103 HD21 ASN 103 6.984 11.951 0.959 494 HD22 ASN 103 HD22 ASN 103 6.394 12.896 -0.322 495 H ARG 104 HN ARG 104 3.988 15.214 5.215 496 HA ARG 104 HA ARG 104 2.430 12.881 5.184 497 HB2 ARG 104 HB2 ARG 104 1.640 15.762 5.656 498 HB3 ARG 104 HB1 ARG 104 0.567 14.388 5.928 499 HG2 ARG 104 HG2 ARG 104 2.079 13.454 7.578 500 HG3 ARG 104 HG1 ARG 104 3.292 14.685 7.223 501 HD2 ARG 104 HD2 ARG 104 0.520 15.276 8.291 502 HD3 ARG 104 HD1 ARG 104 1.967 15.173 9.289 503 HE ARG 104 HE ARG 104 2.493 17.008 7.239 504 HH11 ARG 104 HH11 ARG 104 2.277 19.233 7.631 505 HH12 ARG 104 HH12 ARG 104 1.288 19.785 8.942 506 HH21 ARG 104 HH21 ARG 104 0.386 16.595 9.955 507 HH22 ARG 104 HH22 ARG 104 0.218 18.292 10.257 508 H LYS 105 HN LYS 105 0.585 12.319 4.093 509 HA LYS 105 HA LYS 105 0.414 12.216 1.451 510 HB2 LYS 105 HB2 LYS 105 -1.922 12.700 3.306 511 HB3 LYS 105 HB1 LYS 105 -2.083 12.157 1.637 512 HG2 LYS 105 HG2 LYS 105 -0.729 10.162 2.149 513 HG3 LYS 105 HG1 LYS 105 -0.549 10.708 3.818 514 HD2 LYS 105 HD2 LYS 105 -3.002 10.626 4.110 515 HD3 LYS 105 HD1 LYS 105 -3.179 10.071 2.446 516 HE2 LYS 105 HE2 LYS 105 -1.854 8.060 2.965 517 HE3 LYS 105 HE1 LYS 105 -1.656 8.615 4.627 518 HZ1 LYS 105 HZ1 LYS 105 -3.994 8.469 4.980 519 HZ2 LYS 105 HZ2 LYS 105 -3.482 6.991 4.315 520 HZ3 LYS 105 HZ3 LYS 105 -4.287 8.130 3.345 521 H VAL 106 HN VAL 106 -2.206 14.204 2.377 522 HA VAL 106 HA VAL 106 -1.812 16.010 0.190 523 HB VAL 106 HB VAL 106 -3.742 16.045 2.517 524 HG11 VAL 106 HG11 VAL 106 -5.016 17.572 0.855 525 HG12 VAL 106 HG12 VAL 106 -3.447 17.802 0.085 526 HG13 VAL 106 HG13 VAL 106 -3.682 18.281 1.765 527 HG21 VAL 106 HG21 VAL 106 -3.843 14.125 0.881 528 HG22 VAL 106 HG22 VAL 106 -4.164 15.304 -0.391 529 HG23 VAL 106 HG23 VAL 106 -5.310 15.105 0.936 530 H ASN 107 HN ASN 107 -1.578 16.281 3.709 531 HA ASN 107 HA ASN 107 -0.844 19.039 3.725 532 HB2 ASN 107 HB2 ASN 107 -0.645 16.857 5.801 533 HB3 ASN 107 HB1 ASN 107 -0.185 18.529 6.113 534 HD21 ASN 107 HD21 ASN 107 -2.381 17.227 7.480 535 HD22 ASN 107 HD22 ASN 107 -3.812 18.015 7.017 536 H ASP 108 HN ASP 108 1.148 19.982 4.192 537 HA ASP 108 HA ASP 108 3.457 18.434 3.233 538 HB2 ASP 108 HB2 ASP 108 3.236 20.486 2.063 539 HB3 ASP 108 HB1 ASP 108 2.928 21.388 3.545 Start of MODEL 20 1 HA THR 40 HA THR 40 -42.521 4.583 24.020 2 HB THR 40 HB THR 40 -41.436 7.272 24.828 3 HG1 THR 40 HG1 THR 40 -43.548 8.034 24.840 4 HG21 THR 40 HG21 THR 40 -43.197 6.556 22.490 5 HG22 THR 40 HG22 THR 40 -41.458 6.274 22.437 6 HG23 THR 40 HG23 THR 40 -42.079 7.910 22.651 7 H LYS 41 HN LYS 41 -40.415 4.710 26.633 8 HA LYS 41 HA LYS 41 -37.917 5.144 25.358 9 HB2 LYS 41 HB2 LYS 41 -38.653 3.596 27.849 10 HB3 LYS 41 HB1 LYS 41 -36.989 3.872 27.333 11 HG2 LYS 41 HG2 LYS 41 -37.366 6.309 27.393 12 HG3 LYS 41 HG1 LYS 41 -39.032 6.039 27.908 13 HD2 LYS 41 HD2 LYS 41 -38.226 4.899 29.941 14 HD3 LYS 41 HD1 LYS 41 -36.558 5.163 29.430 15 HE2 LYS 41 HE2 LYS 41 -36.919 7.601 29.488 16 HE3 LYS 41 HE1 LYS 41 -38.592 7.345 29.989 17 HZ1 LYS 41 HZ1 LYS 41 -37.312 7.763 31.926 18 HZ2 LYS 41 HZ2 LYS 41 -36.134 6.620 31.484 19 HZ3 LYS 41 HZ3 LYS 41 -37.691 6.109 31.932 20 H GLN 42 HN GLN 42 -39.768 2.195 26.022 21 HA GLN 42 HA GLN 42 -37.863 0.418 24.839 22 HB2 GLN 42 HB2 GLN 42 -40.764 0.093 25.609 23 HB3 GLN 42 HB1 GLN 42 -39.788 -1.215 24.940 24 HG2 GLN 42 HG2 GLN 42 -38.223 -1.077 26.776 25 HG3 GLN 42 HG1 GLN 42 -39.000 0.379 27.392 26 HE21 GLN 42 HE21 GLN 42 -38.673 -2.243 28.793 27 HE22 GLN 42 HE22 GLN 42 -40.244 -2.759 29.170 28 H LYS 43 HN LYS 43 -40.742 2.068 23.705 29 HA LYS 43 HA LYS 43 -40.070 1.242 20.943 30 HB2 LYS 43 HB2 LYS 43 -42.831 1.269 22.179 31 HB3 LYS 43 HB1 LYS 43 -42.501 1.039 20.462 32 HG2 LYS 43 HG2 LYS 43 -41.142 -0.953 20.987 33 HG3 LYS 43 HG1 LYS 43 -41.476 -0.727 22.704 34 HD2 LYS 43 HD2 LYS 43 -43.892 -0.991 22.272 35 HD3 LYS 43 HD1 LYS 43 -43.558 -1.227 20.556 36 HE2 LYS 43 HE2 LYS 43 -42.201 -3.218 21.086 37 HE3 LYS 43 HE1 LYS 43 -42.528 -2.984 22.804 38 HZ1 LYS 43 HZ1 LYS 43 -44.918 -3.181 22.283 39 HZ2 LYS 43 HZ2 LYS 43 -44.045 -4.596 21.934 40 HZ3 LYS 43 HZ3 LYS 43 -44.519 -3.555 20.678 41 H GLU 44 HN GLU 44 -40.445 2.747 19.340 42 HA GLU 44 HA GLU 44 -41.319 5.428 20.248 43 HB2 GLU 44 HB2 GLU 44 -39.152 4.684 18.273 44 HB3 GLU 44 HB1 GLU 44 -39.764 6.324 18.494 45 HG2 GLU 44 HG2 GLU 44 -39.093 6.291 20.846 46 HG3 GLU 44 HG1 GLU 44 -38.555 4.621 20.691 47 H ALA 45 HN ALA 45 -42.886 6.390 19.097 48 HA ALA 45 HA ALA 45 -44.441 4.955 17.247 49 HB1 ALA 45 HB1 ALA 45 -44.886 7.153 18.711 50 HB2 ALA 45 HB2 ALA 45 -45.843 6.764 17.281 51 HB3 ALA 45 HB3 ALA 45 -44.523 7.927 17.169 52 H VAL 46 HN VAL 46 -41.906 7.372 16.781 53 HA VAL 46 HA VAL 46 -42.180 7.096 13.862 54 HB VAL 46 HB VAL 46 -40.517 9.018 15.506 55 HG11 VAL 46 HG11 VAL 46 -40.533 10.175 13.151 56 HG12 VAL 46 HG12 VAL 46 -40.859 8.547 12.557 57 HG13 VAL 46 HG13 VAL 46 -39.385 8.874 13.465 58 HG21 VAL 46 HG21 VAL 46 -43.037 9.470 13.876 59 HG22 VAL 46 HG22 VAL 46 -42.178 10.674 14.839 60 HG23 VAL 46 HG23 VAL 46 -43.000 9.330 15.634 61 H ASN 47 HN ASN 47 -41.265 5.063 13.537 62 HA ASN 47 HA ASN 47 -38.456 4.708 14.351 63 HB2 ASN 47 HB2 ASN 47 -40.549 2.764 13.367 64 HB3 ASN 47 HB1 ASN 47 -38.855 2.332 13.591 65 HD21 ASN 47 HD21 ASN 47 -41.006 1.144 15.132 66 HD22 ASN 47 HD22 ASN 47 -40.790 1.609 16.751 67 H ASP 48 HN ASP 48 -37.050 5.479 12.872 68 HA ASP 48 HA ASP 48 -37.748 5.295 10.023 69 HB2 ASP 48 HB2 ASP 48 -36.998 7.481 10.867 70 HB3 ASP 48 HB1 ASP 48 -35.482 6.755 11.399 71 H LYS 49 HN LYS 49 -37.268 3.267 9.317 72 HA LYS 49 HA LYS 49 -34.756 2.007 10.125 73 HB2 LYS 49 HB2 LYS 49 -36.988 1.010 8.338 74 HB3 LYS 49 HB1 LYS 49 -35.601 0.059 8.863 75 HG2 LYS 49 HG2 LYS 49 -37.373 1.404 10.892 76 HG3 LYS 49 HG1 LYS 49 -37.846 -0.142 10.192 77 HD2 LYS 49 HD2 LYS 49 -35.619 -1.073 10.893 78 HD3 LYS 49 HD1 LYS 49 -35.293 0.446 11.725 79 HE2 LYS 49 HE2 LYS 49 -37.709 -1.293 12.272 80 HE3 LYS 49 HE1 LYS 49 -36.226 -1.332 13.228 81 HZ1 LYS 49 HZ1 LYS 49 -38.370 0.409 13.497 82 HZ2 LYS 49 HZ2 LYS 49 -37.080 1.335 12.894 83 HZ3 LYS 49 HZ3 LYS 49 -36.894 0.448 14.332 84 H GLY 50 HN GLY 50 -35.952 3.977 7.640 85 HA2 GLY 50 HA2 GLY 50 -34.801 4.901 5.840 86 HA3 GLY 50 HA1 GLY 50 -33.439 3.848 6.212 87 H LYS 51 HN LYS 51 -36.522 2.351 5.966 88 HA LYS 51 HA LYS 51 -35.743 0.594 3.911 89 HB2 LYS 51 HB2 LYS 51 -38.457 1.345 5.008 90 HB3 LYS 51 HB1 LYS 51 -38.232 0.097 3.785 91 HG2 LYS 51 HG2 LYS 51 -36.555 -0.012 6.267 92 HG3 LYS 51 HG1 LYS 51 -38.238 -0.523 6.367 93 HD2 LYS 51 HD2 LYS 51 -36.508 -1.583 4.149 94 HD3 LYS 51 HD1 LYS 51 -36.374 -2.283 5.760 95 HE2 LYS 51 HE2 LYS 51 -38.827 -2.703 5.756 96 HE3 LYS 51 HE1 LYS 51 -38.916 -2.074 4.114 97 HZ1 LYS 51 HZ1 LYS 51 -37.086 -4.277 4.832 98 HZ2 LYS 51 HZ2 LYS 51 -37.644 -3.825 3.293 99 HZ3 LYS 51 HZ3 LYS 51 -38.698 -4.570 4.397 100 H ALA 52 HN ALA 52 -37.581 3.612 3.858 101 HA ALA 52 HA ALA 52 -38.417 3.526 1.171 102 HB1 ALA 52 HB1 ALA 52 -38.785 5.261 3.249 103 HB2 ALA 52 HB2 ALA 52 -39.227 5.605 1.577 104 HB3 ALA 52 HB3 ALA 52 -37.691 6.183 2.219 105 H ALA 53 HN ALA 53 -35.436 4.691 2.678 106 HA ALA 53 HA ALA 53 -34.290 5.849 0.365 107 HB1 ALA 53 HB1 ALA 53 -33.546 6.080 2.816 108 HB2 ALA 53 HB2 ALA 53 -32.277 5.955 1.597 109 HB3 ALA 53 HB3 ALA 53 -32.704 4.550 2.575 110 H VAL 54 HN VAL 54 -32.932 5.031 -1.191 111 HA VAL 54 HA VAL 54 -33.235 2.251 -1.818 112 HB VAL 54 HB VAL 54 -31.531 4.389 -3.113 113 HG11 VAL 54 HG11 VAL 54 -30.582 2.403 -3.893 114 HG12 VAL 54 HG12 VAL 54 -31.866 2.654 -5.072 115 HG13 VAL 54 HG13 VAL 54 -32.092 1.508 -3.750 116 HG21 VAL 54 HG21 VAL 54 -33.850 4.971 -3.298 117 HG22 VAL 54 HG22 VAL 54 -34.308 3.302 -3.634 118 HG23 VAL 54 HG23 VAL 54 -33.407 4.229 -4.834 119 H VAL 55 HN VAL 55 -31.819 0.612 -1.652 120 HA VAL 55 HA VAL 55 -29.989 0.460 0.384 121 HB VAL 55 HB VAL 55 -30.949 -1.470 -0.864 122 HG11 VAL 55 HG11 VAL 55 -30.358 -1.977 -3.031 123 HG12 VAL 55 HG12 VAL 55 -28.754 -1.260 -2.872 124 HG13 VAL 55 HG13 VAL 55 -30.164 -0.225 -3.105 125 HG21 VAL 55 HG21 VAL 55 -28.450 -1.253 0.361 126 HG22 VAL 55 HG22 VAL 55 -28.102 -2.074 -1.160 127 HG23 VAL 55 HG23 VAL 55 -29.278 -2.758 -0.040 128 H LYS 56 HN LYS 56 -29.564 2.253 -2.435 129 HA LYS 56 HA LYS 56 -26.906 1.899 -3.139 130 HB2 LYS 56 HB2 LYS 56 -26.946 4.143 -4.027 131 HB3 LYS 56 HB1 LYS 56 -28.521 3.409 -4.308 132 HG2 LYS 56 HG2 LYS 56 -29.374 4.544 -2.251 133 HG3 LYS 56 HG1 LYS 56 -27.817 5.348 -2.080 134 HD2 LYS 56 HD2 LYS 56 -28.112 6.321 -4.361 135 HD3 LYS 56 HD1 LYS 56 -29.728 5.612 -4.415 136 HE2 LYS 56 HE2 LYS 56 -28.755 7.576 -2.318 137 HE3 LYS 56 HE1 LYS 56 -29.795 7.981 -3.683 138 HZ1 LYS 56 HZ1 LYS 56 -30.656 7.183 -1.251 139 HZ2 LYS 56 HZ2 LYS 56 -30.729 5.739 -2.145 140 HZ3 LYS 56 HZ3 LYS 56 -31.569 7.117 -2.678 141 H VAL 57 HN VAL 57 -28.141 2.995 -0.169 142 HA VAL 57 HA VAL 57 -26.171 4.802 0.673 143 HB VAL 57 HB VAL 57 -27.869 2.839 2.220 144 HG11 VAL 57 HG11 VAL 57 -26.055 3.249 3.678 145 HG12 VAL 57 HG12 VAL 57 -27.252 4.456 4.146 146 HG13 VAL 57 HG13 VAL 57 -25.883 4.919 3.135 147 HG21 VAL 57 HG21 VAL 57 -29.422 4.513 2.313 148 HG22 VAL 57 HG22 VAL 57 -28.601 5.084 0.860 149 HG23 VAL 57 HG23 VAL 57 -28.198 5.777 2.431 150 H VAL 58 HN VAL 58 -26.293 1.244 1.005 151 HA VAL 58 HA VAL 58 -23.746 1.129 2.335 152 HB VAL 58 HB VAL 58 -23.964 -1.260 2.196 153 HG11 VAL 58 HG11 VAL 58 -25.495 0.015 3.739 154 HG12 VAL 58 HG12 VAL 58 -26.106 -1.569 3.264 155 HG13 VAL 58 HG13 VAL 58 -26.750 -0.112 2.506 156 HG21 VAL 58 HG21 VAL 58 -24.639 -1.990 0.149 157 HG22 VAL 58 HG22 VAL 58 -25.628 -0.562 -0.143 158 HG23 VAL 58 HG23 VAL 58 -26.254 -1.883 0.844 159 H GLU 59 HN GLU 59 -24.813 1.112 -0.979 160 HA GLU 59 HA GLU 59 -22.622 -0.172 -2.177 161 HB2 GLU 59 HB2 GLU 59 -24.466 1.988 -3.202 162 HB3 GLU 59 HB1 GLU 59 -23.248 1.203 -4.207 163 HG2 GLU 59 HG2 GLU 59 -24.258 -0.979 -3.796 164 HG3 GLU 59 HG1 GLU 59 -25.425 -0.261 -2.688 165 H SER 60 HN SER 60 -23.086 3.267 -1.314 166 HA SER 60 HA SER 60 -20.652 4.171 -2.456 167 HB2 SER 60 HB2 SER 60 -22.334 5.287 -0.201 168 HB3 SER 60 HB1 SER 60 -20.968 6.128 -0.929 169 HG SER 60 HG SER 60 -23.153 5.116 -2.424 170 H GLN 61 HN GLN 61 -21.541 2.981 0.742 171 HA GLN 61 HA GLN 61 -19.089 3.499 2.042 172 HB2 GLN 61 HB2 GLN 61 -21.328 2.895 3.107 173 HB3 GLN 61 HB1 GLN 61 -20.971 1.221 2.684 174 HG2 GLN 61 HG2 GLN 61 -19.086 2.957 4.300 175 HG3 GLN 61 HG1 GLN 61 -20.289 1.898 5.030 176 HE21 GLN 61 HE21 GLN 61 -20.166 -0.457 3.772 177 HE22 GLN 61 HE22 GLN 61 -18.593 -1.093 3.733 178 H ALA 62 HN ALA 62 -20.248 0.809 0.099 179 HA ALA 62 HA ALA 62 -18.224 -1.062 0.669 180 HB1 ALA 62 HB1 ALA 62 -20.313 -1.602 -0.550 181 HB2 ALA 62 HB2 ALA 62 -18.878 -2.136 -1.425 182 HB3 ALA 62 HB3 ALA 62 -19.728 -0.676 -1.931 183 H GLU 63 HN GLU 63 -18.393 1.591 -1.648 184 HA GLU 63 HA GLU 63 -16.076 1.008 -3.129 185 HB2 GLU 63 HB2 GLU 63 -17.449 3.626 -2.502 186 HB3 GLU 63 HB1 GLU 63 -16.087 3.491 -3.614 187 HG2 GLU 63 HG2 GLU 63 -17.324 1.964 -5.035 188 HG3 GLU 63 HG1 GLU 63 -18.652 1.899 -3.877 189 H LEU 64 HN LEU 64 -16.534 2.758 -0.087 190 HA LEU 64 HA LEU 64 -13.965 3.852 0.150 191 HB2 LEU 64 HB2 LEU 64 -15.850 4.486 1.602 192 HB3 LEU 64 HB1 LEU 64 -15.841 2.880 2.324 193 HG LEU 64 HG LEU 64 -13.543 3.265 3.160 194 HD11 LEU 64 HD11 LEU 64 -12.969 5.878 3.030 195 HD12 LEU 64 HD12 LEU 64 -13.880 5.744 1.527 196 HD13 LEU 64 HD13 LEU 64 -12.444 4.753 1.778 197 HD21 LEU 64 HD21 LEU 64 -15.730 4.053 4.350 198 HD22 LEU 64 HD22 LEU 64 -15.167 5.675 3.943 199 HD23 LEU 64 HD23 LEU 64 -14.179 4.627 4.962 200 H TYR 65 HN TYR 65 -15.248 0.706 1.238 201 HA TYR 65 HA TYR 65 -12.850 -0.188 2.449 202 HB2 TYR 65 HB2 TYR 65 -15.329 -1.539 1.452 203 HB3 TYR 65 HB1 TYR 65 -13.929 -2.518 1.890 204 HD1 TYR 65 HD1 TYR 65 -16.876 -1.074 3.143 205 HD2 TYR 65 HD2 TYR 65 -12.762 -1.750 4.186 206 HE1 TYR 65 HE1 TYR 65 -17.444 -0.849 5.547 207 HE2 TYR 65 HE2 TYR 65 -13.333 -1.521 6.588 208 HH TYR 65 HH TYR 65 -15.750 -1.925 7.946 209 H SER 66 HN SER 66 -14.102 -0.478 -0.853 210 HA SER 66 HA SER 66 -12.157 -2.276 -1.818 211 HB2 SER 66 HB2 SER 66 -12.816 -1.500 -4.045 212 HB3 SER 66 HB1 SER 66 -14.238 -1.736 -3.033 213 HG SER 66 HG SER 66 -12.910 0.754 -3.293 214 H LEU 67 HN LEU 67 -12.181 1.232 -1.490 215 HA LEU 67 HA LEU 67 -9.859 1.785 -2.989 216 HB2 LEU 67 HB2 LEU 67 -11.443 3.526 -2.274 217 HB3 LEU 67 HB1 LEU 67 -11.003 3.246 -0.592 218 HG LEU 67 HG LEU 67 -8.673 3.921 -1.090 219 HD11 LEU 67 HD11 LEU 67 -9.791 3.995 -3.866 220 HD12 LEU 67 HD12 LEU 67 -8.207 3.454 -3.310 221 HD13 LEU 67 HD13 LEU 67 -8.557 5.180 -3.433 222 HD21 LEU 67 HD21 LEU 67 -9.674 6.307 -2.168 223 HD22 LEU 67 HD22 LEU 67 -9.501 5.920 -0.455 224 HD23 LEU 67 HD23 LEU 67 -11.031 5.611 -1.279 225 H GLU 68 HN GLU 68 -10.323 1.128 0.470 226 HA GLU 68 HA GLU 68 -7.606 1.382 1.220 227 HB2 GLU 68 HB2 GLU 68 -9.478 1.435 2.833 228 HB3 GLU 68 HB1 GLU 68 -9.802 -0.265 2.503 229 HG2 GLU 68 HG2 GLU 68 -8.474 -0.055 4.546 230 HG3 GLU 68 HG1 GLU 68 -7.510 -0.833 3.297 231 H LYS 69 HN LYS 69 -9.554 -1.354 0.152 232 HA LYS 69 HA LYS 69 -7.429 -3.279 0.494 233 HB2 LYS 69 HB2 LYS 69 -10.034 -3.484 -1.039 234 HB3 LYS 69 HB1 LYS 69 -8.958 -4.829 -0.669 235 HG2 LYS 69 HG2 LYS 69 -10.190 -3.079 1.475 236 HG3 LYS 69 HG1 LYS 69 -10.952 -4.557 0.895 237 HD2 LYS 69 HD2 LYS 69 -8.785 -5.763 1.484 238 HD3 LYS 69 HD1 LYS 69 -8.283 -4.287 2.306 239 HE2 LYS 69 HE2 LYS 69 -9.318 -5.803 3.914 240 HE3 LYS 69 HE1 LYS 69 -10.331 -4.376 3.696 241 HZ1 LYS 69 HZ1 LYS 69 -10.878 -6.555 1.874 242 HZ2 LYS 69 HZ2 LYS 69 -11.953 -5.566 2.743 243 HZ3 LYS 69 HZ3 LYS 69 -11.215 -6.895 3.502 244 H ASN 70 HN ASN 70 -8.562 -1.187 -2.044 245 HA ASN 70 HA ASN 70 -7.786 -0.761 -4.159 246 HB2 ASN 70 HB2 ASN 70 -5.271 -2.115 -3.147 247 HB3 ASN 70 HB1 ASN 70 -5.396 -1.081 -4.565 248 HD21 ASN 70 HD21 ASN 70 -6.609 1.161 -3.898 249 HD22 ASN 70 HD22 ASN 70 -5.962 1.895 -2.512 250 H GLU 71 HN GLU 71 -9.007 -3.414 -3.370 251 HA GLU 71 HA GLU 71 -9.372 -5.513 -4.257 252 HB2 GLU 71 HB2 GLU 71 -9.011 -3.812 -6.731 253 HB3 GLU 71 HB1 GLU 71 -9.680 -5.446 -6.738 254 HG2 GLU 71 HG2 GLU 71 -11.471 -4.744 -5.218 255 HG3 GLU 71 HG1 GLU 71 -10.792 -3.118 -5.146 256 H ASP 72 HN ASP 72 -6.631 -5.015 -3.530 257 HA ASP 72 HA ASP 72 -5.398 -7.156 -5.033 258 HB2 ASP 72 HB2 ASP 72 -4.982 -4.940 -6.305 259 HB3 ASP 72 HB1 ASP 72 -3.895 -4.551 -4.974 260 H ALA 73 HN ALA 73 -3.337 -7.827 -4.080 261 HA ALA 73 HA ALA 73 -3.428 -7.878 -1.264 262 HB1 ALA 73 HB1 ALA 73 -1.153 -8.531 -3.150 263 HB2 ALA 73 HB2 ALA 73 -2.362 -9.660 -2.538 264 HB3 ALA 73 HB3 ALA 73 -1.191 -8.939 -1.434 265 H SER 74 HN SER 74 -2.224 -6.843 0.299 266 HA SER 74 HA SER 74 -1.228 -4.209 -0.403 267 HB2 SER 74 HB2 SER 74 -1.128 -3.819 1.971 268 HB3 SER 74 HB1 SER 74 -2.646 -4.644 1.627 269 HG SER 74 HG SER 74 -0.409 -5.498 3.005 270 H LEU 75 HN LEU 75 0.850 -3.542 0.859 271 HA LEU 75 HA LEU 75 3.013 -4.999 -0.235 272 HB2 LEU 75 HB2 LEU 75 2.832 -2.777 1.785 273 HB3 LEU 75 HB1 LEU 75 4.381 -3.513 1.370 274 HG LEU 75 HG LEU 75 2.510 -2.600 -0.794 275 HD11 LEU 75 HD11 LEU 75 4.394 -0.922 0.875 276 HD12 LEU 75 HD12 LEU 75 2.709 -0.591 0.475 277 HD13 LEU 75 HD13 LEU 75 3.952 -0.457 -0.768 278 HD21 LEU 75 HD21 LEU 75 5.413 -2.217 -1.055 279 HD22 LEU 75 HD22 LEU 75 4.279 -2.982 -2.166 280 HD23 LEU 75 HD23 LEU 75 4.952 -3.902 -0.824 281 H ARG 76 HN ARG 76 1.520 -5.011 2.993 282 HA ARG 76 HA ARG 76 3.538 -6.629 4.192 283 HB2 ARG 76 HB2 ARG 76 0.640 -6.113 4.891 284 HB3 ARG 76 HB1 ARG 76 1.714 -7.102 5.880 285 HG2 ARG 76 HG2 ARG 76 3.249 -5.205 6.147 286 HG3 ARG 76 HG1 ARG 76 2.220 -4.211 5.116 287 HD2 ARG 76 HD2 ARG 76 0.368 -4.439 6.715 288 HD3 ARG 76 HD1 ARG 76 1.363 -5.471 7.737 289 HE ARG 76 HE ARG 76 2.491 -3.570 8.486 290 HH11 ARG 76 HH11 ARG 76 2.735 -1.318 8.653 291 HH12 ARG 76 HH12 ARG 76 1.964 -0.281 7.500 292 HH21 ARG 76 HH21 ARG 76 0.531 -2.887 5.718 293 HH22 ARG 76 HH22 ARG 76 0.715 -1.170 5.839 294 H LYS 77 HN LYS 77 0.498 -7.251 2.509 295 HA LYS 77 HA LYS 77 0.465 -10.061 2.949 296 HB2 LYS 77 HB2 LYS 77 -0.917 -8.301 0.917 297 HB3 LYS 77 HB1 LYS 77 -1.243 -10.026 1.110 298 HG2 LYS 77 HG2 LYS 77 -1.900 -9.682 3.435 299 HG3 LYS 77 HG1 LYS 77 -1.483 -7.973 3.326 300 HD2 LYS 77 HD2 LYS 77 -3.194 -7.697 1.542 301 HD3 LYS 77 HD1 LYS 77 -3.645 -9.391 1.746 302 HE2 LYS 77 HE2 LYS 77 -3.709 -7.336 3.970 303 HE3 LYS 77 HE1 LYS 77 -5.112 -7.810 3.019 304 HZ1 LYS 77 HZ1 LYS 77 -4.097 -9.069 5.265 305 HZ2 LYS 77 HZ2 LYS 77 -3.765 -10.105 3.960 306 HZ3 LYS 77 HZ3 LYS 77 -5.360 -9.605 4.268 307 H LEU 78 HN LEU 78 2.190 -8.048 0.735 308 HA LEU 78 HA LEU 78 2.739 -10.288 -1.082 309 HB2 LEU 78 HB2 LEU 78 3.534 -7.366 -1.113 310 HB3 LEU 78 HB1 LEU 78 4.144 -8.539 -2.278 311 HG LEU 78 HG LEU 78 1.198 -8.009 -1.784 312 HD11 LEU 78 HD11 LEU 78 1.504 -6.982 -4.186 313 HD12 LEU 78 HD12 LEU 78 3.179 -6.781 -3.672 314 HD13 LEU 78 HD13 LEU 78 1.879 -6.010 -2.764 315 HD21 LEU 78 HD21 LEU 78 2.722 -9.940 -3.400 316 HD22 LEU 78 HD22 LEU 78 1.527 -9.040 -4.329 317 HD23 LEU 78 HD23 LEU 78 1.026 -9.966 -2.917 318 H GLN 79 HN GLN 79 4.656 -7.826 0.598 319 HA GLN 79 HA GLN 79 7.113 -9.044 0.585 320 HB2 GLN 79 HB2 GLN 79 6.673 -6.768 1.457 321 HB3 GLN 79 HB1 GLN 79 5.931 -7.475 2.891 322 HG2 GLN 79 HG2 GLN 79 8.048 -8.578 3.468 323 HG3 GLN 79 HG1 GLN 79 8.795 -7.934 2.008 324 HE21 GLN 79 HE21 GLN 79 9.983 -7.250 4.429 325 HE22 GLN 79 HE22 GLN 79 9.666 -5.623 4.795 326 H ALA 80 HN ALA 80 4.422 -9.679 2.848 327 HA ALA 80 HA ALA 80 5.852 -11.366 4.605 328 HB1 ALA 80 HB1 ALA 80 3.665 -10.552 5.238 329 HB2 ALA 80 HB2 ALA 80 3.598 -12.313 5.152 330 HB3 ALA 80 HB3 ALA 80 2.924 -11.341 3.845 331 H ASP 81 HN ASP 81 4.153 -11.981 1.572 332 HA ASP 81 HA ASP 81 4.432 -14.820 1.657 333 HB2 ASP 81 HB2 ASP 81 3.799 -12.874 -0.558 334 HB3 ASP 81 HB1 ASP 81 3.875 -14.618 -0.811 335 H GLY 82 HN GLY 82 6.529 -12.218 0.726 336 HA2 GLY 82 HA2 GLY 82 8.878 -12.495 0.511 337 HA3 GLY 82 HA1 GLY 82 8.616 -14.178 0.075 338 H ARG 83 HN ARG 83 6.443 -12.268 -1.619 339 HA ARG 83 HA ARG 83 7.615 -12.804 -4.134 340 HB2 ARG 83 HB2 ARG 83 5.338 -11.115 -3.190 341 HB3 ARG 83 HB1 ARG 83 5.914 -10.931 -4.845 342 HG2 ARG 83 HG2 ARG 83 4.066 -12.628 -4.578 343 HG3 ARG 83 HG1 ARG 83 5.533 -13.265 -5.316 344 HD2 ARG 83 HD2 ARG 83 6.152 -14.432 -3.378 345 HD3 ARG 83 HD1 ARG 83 5.143 -13.430 -2.345 346 HE ARG 83 HE ARG 83 3.339 -14.816 -2.848 347 HH11 ARG 83 HH11 ARG 83 2.419 -16.659 -3.812 348 HH12 ARG 83 HH12 ARG 83 3.270 -17.485 -5.075 349 HH21 ARG 83 HH21 ARG 83 5.982 -15.326 -5.023 350 HH22 ARG 83 HH22 ARG 83 5.287 -16.731 -5.760 351 H ILE 84 HN ILE 84 7.735 -9.952 -2.049 352 HA ILE 84 HA ILE 84 9.613 -8.717 -3.978 353 HB ILE 84 HB ILE 84 8.960 -6.545 -3.000 354 HG12 ILE 84 HG12 ILE 84 6.812 -8.114 -1.540 355 HG13 ILE 84 HG11 ILE 84 8.274 -7.521 -0.757 356 HG21 ILE 84 HG21 ILE 84 6.594 -6.570 -3.892 357 HG22 ILE 84 HG22 ILE 84 6.745 -8.321 -4.053 358 HG23 ILE 84 HG23 ILE 84 7.797 -7.255 -4.985 359 HD11 ILE 84 HD11 ILE 84 7.468 -5.418 -0.632 360 HD12 ILE 84 HD12 ILE 84 5.902 -6.099 -1.070 361 HD13 ILE 84 HD13 ILE 84 6.957 -5.441 -2.321 362 H THR 85 HN THR 85 11.413 -7.558 -3.117 363 HA THR 85 HA THR 85 12.582 -8.892 -0.843 364 HB THR 85 HB THR 85 14.564 -7.544 -1.341 365 HG1 THR 85 HG1 THR 85 13.385 -5.650 -1.922 366 HG21 THR 85 HG21 THR 85 13.351 -9.412 -3.042 367 HG22 THR 85 HG22 THR 85 15.050 -8.932 -3.035 368 HG23 THR 85 HG23 THR 85 13.907 -8.116 -4.102 369 H GLU 86 HN GLU 86 13.551 -7.729 0.959 370 HA GLU 86 HA GLU 86 11.727 -5.680 1.966 371 HB2 GLU 86 HB2 GLU 86 14.013 -7.144 3.316 372 HB3 GLU 86 HB1 GLU 86 12.890 -6.043 4.112 373 HG2 GLU 86 HG2 GLU 86 11.841 -8.054 4.560 374 HG3 GLU 86 HG1 GLU 86 11.073 -7.653 3.026 375 H GLU 87 HN GLU 87 15.153 -6.151 1.216 376 HA GLU 87 HA GLU 87 16.086 -3.664 2.130 377 HB2 GLU 87 HB2 GLU 87 18.055 -4.095 0.758 378 HB3 GLU 87 HB1 GLU 87 17.551 -5.574 1.574 379 HG2 GLU 87 HG2 GLU 87 16.324 -6.248 -0.496 380 HG3 GLU 87 HG1 GLU 87 16.966 -4.821 -1.306 381 H GLN 88 HN GLN 88 14.644 -4.583 -0.977 382 HA GLN 88 HA GLN 88 15.359 -2.246 -2.387 383 HB2 GLN 88 HB2 GLN 88 14.465 -4.264 -3.480 384 HB3 GLN 88 HB1 GLN 88 12.892 -3.962 -2.741 385 HG2 GLN 88 HG2 GLN 88 14.225 -1.811 -4.362 386 HG3 GLN 88 HG1 GLN 88 13.347 -3.104 -5.175 387 HE21 GLN 88 HE21 GLN 88 12.628 -0.188 -4.956 388 HE22 GLN 88 HE22 GLN 88 11.089 -0.160 -4.243 389 H ALA 89 HN ALA 89 12.519 -3.010 -0.417 390 HA ALA 89 HA ALA 89 11.105 -0.608 -0.859 391 HB1 ALA 89 HB1 ALA 89 10.591 -2.935 0.482 392 HB2 ALA 89 HB2 ALA 89 9.601 -1.480 0.590 393 HB3 ALA 89 HB3 ALA 89 10.827 -1.806 1.815 394 H LYS 90 HN LYS 90 13.604 -1.514 1.403 395 HA LYS 90 HA LYS 90 13.444 0.887 2.988 396 HB2 LYS 90 HB2 LYS 90 15.166 -1.515 2.891 397 HB3 LYS 90 HB1 LYS 90 15.926 -0.050 3.514 398 HG2 LYS 90 HG2 LYS 90 14.833 -1.378 5.313 399 HG3 LYS 90 HG1 LYS 90 14.127 0.230 5.146 400 HD2 LYS 90 HD2 LYS 90 12.149 -0.576 4.256 401 HD3 LYS 90 HD1 LYS 90 12.923 -1.998 3.557 402 HE2 LYS 90 HE2 LYS 90 11.491 -2.629 5.460 403 HE3 LYS 90 HE1 LYS 90 13.186 -2.961 5.819 404 HZ1 LYS 90 HZ1 LYS 90 12.894 -0.416 6.654 405 HZ2 LYS 90 HZ2 LYS 90 12.801 -1.783 7.657 406 HZ3 LYS 90 HZ3 LYS 90 11.383 -1.077 7.042 407 H ALA 91 HN ALA 91 15.759 -0.297 0.546 408 HA ALA 91 HA ALA 91 17.390 1.973 0.479 409 HB1 ALA 91 HB1 ALA 91 18.434 0.357 -0.713 410 HB2 ALA 91 HB2 ALA 91 17.553 1.043 -2.080 411 HB3 ALA 91 HB3 ALA 91 16.915 -0.371 -1.240 412 H TYR 92 HN TYR 92 14.416 1.233 -1.320 413 HA TYR 92 HA TYR 92 14.493 3.381 -3.121 414 HB2 TYR 92 HB2 TYR 92 12.909 1.523 -3.339 415 HB3 TYR 92 HB1 TYR 92 12.092 2.035 -1.863 416 HD1 TYR 92 HD1 TYR 92 13.004 3.147 -5.305 417 HD2 TYR 92 HD2 TYR 92 10.448 3.743 -1.904 418 HE1 TYR 92 HE1 TYR 92 11.628 4.738 -6.616 419 HE2 TYR 92 HE2 TYR 92 9.071 5.334 -3.216 420 HH TYR 92 HH TYR 92 9.596 6.896 -5.344 421 H LYS 93 HN LYS 93 13.120 3.145 0.145 422 HA LYS 93 HA LYS 93 11.939 5.677 0.276 423 HB2 LYS 93 HB2 LYS 93 11.568 3.901 1.946 424 HB3 LYS 93 HB1 LYS 93 13.226 4.095 2.515 425 HG2 LYS 93 HG2 LYS 93 12.756 6.424 3.150 426 HG3 LYS 93 HG1 LYS 93 11.109 6.268 2.539 427 HD2 LYS 93 HD2 LYS 93 10.678 4.470 4.182 428 HD3 LYS 93 HD1 LYS 93 12.319 4.652 4.801 429 HE2 LYS 93 HE2 LYS 93 10.234 6.852 4.765 430 HE3 LYS 93 HE1 LYS 93 10.656 5.887 6.179 431 HZ1 LYS 93 HZ1 LYS 93 11.881 8.194 5.347 432 HZ2 LYS 93 HZ2 LYS 93 12.969 6.962 4.918 433 HZ3 LYS 93 HZ3 LYS 93 12.450 7.120 6.529 434 H GLU 94 HN GLU 94 15.277 4.658 0.994 435 HA GLU 94 HA GLU 94 16.208 7.047 2.090 436 HB2 GLU 94 HB2 GLU 94 17.612 4.920 0.466 437 HB3 GLU 94 HB1 GLU 94 18.458 6.260 1.242 438 HG2 GLU 94 HG2 GLU 94 17.674 5.569 3.427 439 HG3 GLU 94 HG1 GLU 94 16.644 4.330 2.712 440 H TYR 95 HN TYR 95 15.840 6.095 -1.300 441 HA TYR 95 HA TYR 95 17.323 8.087 -2.536 442 HB2 TYR 95 HB2 TYR 95 16.278 6.295 -3.813 443 HB3 TYR 95 HB1 TYR 95 14.674 6.913 -3.415 444 HD1 TYR 95 HD1 TYR 95 17.872 7.807 -5.118 445 HD2 TYR 95 HD2 TYR 95 13.681 8.642 -4.687 446 HE1 TYR 95 HE1 TYR 95 17.983 9.357 -7.051 447 HE2 TYR 95 HE2 TYR 95 13.790 10.190 -6.621 448 HH TYR 95 HH TYR 95 16.462 10.310 -8.729 449 H ASN 96 HN ASN 96 13.969 8.237 -1.374 450 HA ASN 96 HA ASN 96 13.414 10.869 -2.251 451 HB2 ASN 96 HB2 ASN 96 12.288 9.222 0.019 452 HB3 ASN 96 HB1 ASN 96 11.666 10.812 -0.420 453 HD21 ASN 96 HD21 ASN 96 11.351 10.920 -3.038 454 HD22 ASN 96 HD22 ASN 96 10.495 9.597 -3.670 455 H ASP 97 HN ASP 97 14.852 9.597 0.692 456 HA ASP 97 HA ASP 97 14.878 11.689 2.426 457 HB2 ASP 97 HB2 ASP 97 16.669 10.715 3.485 458 HB3 ASP 97 HB1 ASP 97 16.173 9.377 2.454 459 H LYS 98 HN LYS 98 16.322 11.676 -0.692 460 HA LYS 98 HA LYS 98 18.348 13.592 -0.389 461 HB2 LYS 98 HB2 LYS 98 18.217 13.895 -2.772 462 HB3 LYS 98 HB1 LYS 98 17.942 12.191 -2.425 463 HG2 LYS 98 HG2 LYS 98 16.057 12.384 -3.661 464 HG3 LYS 98 HG1 LYS 98 15.386 13.256 -2.289 465 HD2 LYS 98 HD2 LYS 98 15.028 14.764 -4.035 466 HD3 LYS 98 HD1 LYS 98 16.558 15.343 -3.382 467 HE2 LYS 98 HE2 LYS 98 16.020 13.849 -5.923 468 HE3 LYS 98 HE1 LYS 98 17.079 15.230 -5.644 469 HZ1 LYS 98 HZ1 LYS 98 17.591 12.498 -4.598 470 HZ2 LYS 98 HZ2 LYS 98 18.639 13.834 -4.530 471 HZ3 LYS 98 HZ3 LYS 98 18.271 13.116 -6.024 472 H ASN 99 HN ASN 99 14.955 13.908 -0.209 473 HA ASN 99 HA ASN 99 15.101 16.834 -0.577 474 HB2 ASN 99 HB2 ASN 99 13.387 15.647 -1.908 475 HB3 ASN 99 HB1 ASN 99 12.669 15.040 -0.417 476 HD21 ASN 99 HD21 ASN 99 13.353 18.056 -2.218 477 HD22 ASN 99 HD22 ASN 99 12.156 18.974 -1.440 478 H GLY 100 HN GLY 100 15.290 14.542 1.791 479 HA2 GLY 100 HA2 GLY 100 13.798 16.037 3.821 480 HA3 GLY 100 HA1 GLY 100 14.560 14.465 4.036 481 H GLY 101 HN GLY 101 15.157 15.802 6.064 482 HA2 GLY 101 HA2 GLY 101 17.474 17.550 5.663 483 HA3 GLY 101 HA1 GLY 101 16.640 17.254 7.187 484 H ALA 102 HN ALA 102 17.114 14.374 5.556 485 HA ALA 102 HA ALA 102 18.860 13.289 7.487 486 HB1 ALA 102 HB1 ALA 102 19.174 11.549 5.484 487 HB2 ALA 102 HB2 ALA 102 17.762 12.406 4.864 488 HB3 ALA 102 HB3 ALA 102 17.693 11.616 6.440 489 H ASN 103 HN ASN 103 19.432 14.641 4.271 490 HA ASN 103 HA ASN 103 22.214 13.963 4.199 491 HB2 ASN 103 HB2 ASN 103 20.514 15.862 2.582 492 HB3 ASN 103 HB1 ASN 103 22.236 15.625 2.287 493 HD21 ASN 103 HD21 ASN 103 20.217 14.911 0.347 494 HD22 ASN 103 HD22 ASN 103 20.246 13.225 0.169 495 H ARG 104 HN ARG 104 23.712 15.973 3.623 496 HA ARG 104 HA ARG 104 24.148 17.349 6.067 497 HB2 ARG 104 HB2 ARG 104 25.283 17.784 3.296 498 HB3 ARG 104 HB1 ARG 104 25.856 18.618 4.741 499 HG2 ARG 104 HG2 ARG 104 26.463 16.500 5.779 500 HG3 ARG 104 HG1 ARG 104 25.776 15.603 4.423 501 HD2 ARG 104 HD2 ARG 104 28.197 15.741 4.155 502 HD3 ARG 104 HD1 ARG 104 27.412 16.699 2.904 503 HE ARG 104 HE ARG 104 28.012 18.312 5.178 504 HH11 ARG 104 HH11 ARG 104 29.747 19.764 4.996 505 HH12 ARG 104 HH12 ARG 104 30.925 19.546 3.746 506 HH21 ARG 104 HH21 ARG 104 29.410 16.710 2.448 507 HH22 ARG 104 HH22 ARG 104 30.735 17.815 2.304 508 H LYS 105 HN LYS 105 24.004 19.597 6.506 509 HA LYS 105 HA LYS 105 21.910 20.976 4.933 510 HB2 LYS 105 HB2 LYS 105 21.594 22.300 7.072 511 HB3 LYS 105 HB1 LYS 105 21.128 20.601 7.151 512 HG2 LYS 105 HG2 LYS 105 23.157 20.004 8.281 513 HG3 LYS 105 HG1 LYS 105 23.869 21.586 7.971 514 HD2 LYS 105 HD2 LYS 105 23.156 21.623 10.253 515 HD3 LYS 105 HD1 LYS 105 21.971 22.573 9.363 516 HE2 LYS 105 HE2 LYS 105 20.417 20.706 9.333 517 HE3 LYS 105 HE1 LYS 105 21.625 19.638 10.044 518 HZ1 LYS 105 HZ1 LYS 105 20.774 22.116 11.405 519 HZ2 LYS 105 HZ2 LYS 105 21.516 20.738 12.069 520 HZ3 LYS 105 HZ3 LYS 105 19.891 20.679 11.575 521 H VAL 106 HN VAL 106 22.180 23.145 4.395 522 HA VAL 106 HA VAL 106 24.970 24.086 4.493 523 HB VAL 106 HB VAL 106 22.662 24.892 2.710 524 HG11 VAL 106 HG11 VAL 106 24.666 26.029 1.483 525 HG12 VAL 106 HG12 VAL 106 25.466 25.937 3.053 526 HG13 VAL 106 HG13 VAL 106 23.960 26.841 2.881 527 HG21 VAL 106 HG21 VAL 106 25.218 23.720 1.714 528 HG22 VAL 106 HG22 VAL 106 23.576 23.519 1.102 529 HG23 VAL 106 HG23 VAL 106 24.101 22.627 2.530 530 H ASN 107 HN ASN 107 21.675 25.460 4.644 531 HA ASN 107 HA ASN 107 22.733 27.620 6.354 532 HB2 ASN 107 HB2 ASN 107 20.242 27.422 4.658 533 HB3 ASN 107 HB1 ASN 107 20.547 28.745 5.782 534 HD21 ASN 107 HD21 ASN 107 20.346 29.122 2.911 535 HD22 ASN 107 HD22 ASN 107 21.865 29.638 2.357 536 H ASP 108 HN ASP 108 20.759 24.813 6.394 537 HA ASP 108 HA ASP 108 20.387 24.872 9.187 538 HB2 ASP 108 HB2 ASP 108 18.789 26.608 8.927 539 HB3 ASP 108 HB1 ASP 108 18.063 25.831 7.521
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